U.S. patent application number 12/754029 was filed with the patent office on 2010-07-29 for methods for crystallizing erk2 polypeptides.
This patent application is currently assigned to Schering Corporation. Invention is credited to JESSIE M. ENGLISH, Thierry Oliver Fischmann, Thomas Hesson, Alan William Hruza, Weihong Jin, Paul Reichert, Catherine Smith, Shahriar Shane Taremi.
Application Number | 20100190231 12/754029 |
Document ID | / |
Family ID | 36206664 |
Filed Date | 2010-07-29 |
United States Patent
Application |
20100190231 |
Kind Code |
A1 |
ENGLISH; JESSIE M. ; et
al. |
July 29, 2010 |
METHODS FOR CRYSTALLIZING ERK2 POLYPEPTIDES
Abstract
The present invention relates to crystals of the ERK2
polypeptide and complexes thereof which are useful, inter alia, for
structure assisted drug design.
Inventors: |
ENGLISH; JESSIE M.;
(Cambridge, MA) ; Fischmann; Thierry Oliver;
(Scotch Plains, NJ) ; Hesson; Thomas; (Kendall
Park, NJ) ; Hruza; Alan William; (Hackettstown,
NJ) ; Jin; Weihong; (Fanwood, NJ) ; Reichert;
Paul; (Montville, NJ) ; Smith; Catherine;
(Union, NJ) ; Taremi; Shahriar Shane; (Cambridge,
MA) |
Correspondence
Address: |
MERCK;PATENT DEPARTMENT (K-6-1, 1990)
2000 GALLOPING HILL ROAD
KENILWORTH
NJ
07033-0530
US
|
Assignee: |
Schering Corporation
|
Family ID: |
36206664 |
Appl. No.: |
12/754029 |
Filed: |
April 5, 2010 |
Related U.S. Patent Documents
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Application
Number |
Filing Date |
Patent Number |
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11873831 |
Oct 17, 2007 |
7722718 |
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12754029 |
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11233581 |
Sep 23, 2005 |
7312061 |
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11873831 |
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60612704 |
Sep 24, 2004 |
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Current U.S.
Class: |
435/194 ;
703/1 |
Current CPC
Class: |
C12N 9/1205 20130101;
C07K 2299/00 20130101 |
Class at
Publication: |
435/194 ;
703/1 |
International
Class: |
C12N 9/12 20060101
C12N009/12; G06F 17/50 20060101 G06F017/50 |
Claims
1. A crystal comprising mouse Ah.sub.6-ERK2 polypeptide optionally
phosphorylated or thiophosphorylated on one or more amino
acids.
2. A computer for producing a three-dimensional representation of
(i) unphosphorylated mouse Ah.sub.6-ERK2 or a homologue thereof,
(ii) unphosphorylated mouse ERK2 or a homologue thereof, (iii)
diphosphorylated mouse Ah.sub.6-ERK2 or a homologue thereof, (iv)
diphosphorylated mouse ERK2 or a homologue thereof, (v)
dithiophosphorylated mouse Ah.sub.6-ERK2 or a homologue thereof,
(vi) dithiophosphorylated mouse ERK2 or a homologue thereof, (vii)
unphosphorylate mouse Ah.sub.6-ERK2 complexed with olomoucine
##STR00007## or a homologue thereof; or (viii) unphosphorylate
mouse ERK2 complexed with olomoucine ##STR00008## or a homologue
thereof; wherein said computer comprises: (a) a machine-readable
data storage medium comprising a data storage material encoded with
machine-readable data, wherein said data comprises the structure
coordinates of Table 1, 2, 3, or 4; (b) a working memory for
storing instructions for processing said machine-readable data; (c)
a central-processing unit coupled to said working memory and to
said machine-readable data storage medium for processing said
machine readable data into said three-dimensional representation;
and (d) a display unit coupled to said central-processing unit for
displaying said three-dimensional representation.
3. The computer of claim 2 wherein the root mean square deviation
between said homologue and the structure coordinates set forth in
Table 1, 2, 3, or 4 is less than about 1 .ANG..
4. The computer of claim 3 wherein the root mean square deviation
between the homologue and the structure coordinates set forth in
Table 1, 2, 3, or 4 is less than about 0.5 .ANG..
5. The computer of claim 4 wherein the root mean square deviation
between the homologue and the structure coordinates set forth in
Table 1, 2, 3, or 4 is less than about 0.1 .ANG..
6. The computer of claim 2 wherein the display unit is displaying
the three dimensional representation.
7. A method for making a crystal comprising placing a mouse ERK2
polypeptide in an aqueous buffered solution comprising from about
1% to about 8% PEG 400 (v/v), about 2.4M ammonium sulfate and a pH
of from about 5.5 to about 6.7.
8. The method of claim 7 wherein the polypeptide comprises an amino
acid sequence selected from the group consisting of SEQ ID NOs:
5-6.
9. The method of claim 7 wherein the polypeptide is crystallized by
the hanging-drop vapor diffusion method.
10. A method for making a crystal comprising placing a mouse ERK2
polypeptide in an aqueous buffered solution of having a pH of from
about 5 to about 6.2 and a concentration of from about 5% to about
30% isopropanol (v/v).
11. The method of claim 10 wherein the polypeptide comprises an
amino acid sequence selected from the group consisting of SEQ ID
NOs: 5-6.
12. The method of claim 10 wherein the polypeptide is crystallized
by the hanging-drop vapor diffusion method.
13. A method for making a crystal comprising placing a mouse ERK2
polypeptide in an aqueous buffered solution of having a pH of from
about 5 to about 6.2 and a concentration of from about 5% to about
30% isopropanol (v/v).
14. The method of claim 13 wherein the polypeptide comprises an
amino acid sequence selected from the group consisting of SEQ ID
NOs: 5-6.
15. The method of claim 13 wherein the polypeptide is crystallized
by the hanging-drop vapor diffusion method.
16. A method for making a crystal comprising placing a mouse ERK2
polypeptide in an aqueous buffered solution comprising from about
1%, to about 8% PEG 400 (v/v), about 2.4M ammonium sulfate and a pH
of from about 5.5 to about 6.7, crystallizing the polypeptide by
the hanging drop vapor diffusion method and soaking said crystal in
a solution comprising olomoucine.
17. The method of claim 16 wherein the polypeptide comprises an
amino acid sequence selected from the group consisting of SEQ ID
NOs: 5-6.
Description
[0001] The present application is a division of U.S. patent
application Ser. No. 11/233,581; filed Sep. 23, 2005 which claims
the benefit of U.S. provisional patent application No. 60/612,704;
filed Sep. 24, 2004, each of which is incorporated herein by
reference in its entirety.
FIELD OF THE INVENTION
[0002] The present invention relates crystals of ERK2 polypeptides,
complexes thereof and methods of synthesis thereof.
BACKGROUND OF THE INVENTION
[0003] The protein kinases that constitute mitogen activated
protein kinases (MAPK) pathways are currently studied by the
pharmaceutical industry because of the central role MAPK modules
play in mediating cellular responses to stimuli such as growth
factors and cytokines. The MAPK kinases, ERK1 and ERK2, are
activated by a phosphorylation signaling cascade in response to
hormones and growth factors. Specifically, ERK1 and ERK2 are
activated by the kinase MEK1 and MEK2 through dual phosphorylation
on conserved threonine and tyrosine residues in the ERK's
activation loop. Known oncogenes such as Ras and Raf are upstream
activators of ERKs 1 and 2. ERK2 is aberrantly activated in
multiple common tumor types, and its inhibition reverses cellular
transformation. Hence, there is considerable interest in the role
ERK1,2 signaling plays in oncogenic transformation and in targeting
ERK1,2 for cancer therapies using small molecules. Structure
assisted drug design is a tool used to optimize the success of
identifying such therapeutic compounds. However, use of this
powerful methodology requires three-dimensional structural
information (e.g., as obtained via X-ray diffraction of the target
protein). The crystal structure of unphosphorylated ERK2 (Zhang et
al., J. Mol. Bio. 233:550-552 (1993); Zhang et al., Nature
367:704-711 (1994); Wang et al., Structure 6(9): 1117-1128 (1998))
and of diphosphorylated ERK2 (Canagarajah et al., Cell 90:859-869
(1997)) was determined. The crystal structure of ERK2 complexed
with olomoucine was also determined (Wang et al., Structure 6(9):
1117-1128 (1998)). Nevertheless, there is a need in the art for
crystals with which high resolution structural determination can be
performed. The present invention addresses this need by providing
such crystals.
SUMMARY OF THE INVENTION
[0004] The present invention includes new crystal forms of the
unphosphorylated, di-phosphorylated and di-thio phosphorylated
ERK2. These crystal forms are suitable for structure assisted drug
design.
[0005] The present invention provides an isolated crystal
comprising mouse diphosphorylated Ah.sub.6-ERK2 polypeptide wherein
threonine 190 is phosphorylated and tyrosine 192 is phosphorylated
(e.g., SEQ ID NO: 5) and an isolated crystal comprising mouse
diphosphorylated ERK2 polypeptide (e.g., SEQ ID NO: 6) wherein
threonine 183 is phosphorylated and tyrosine 185 is phosphorylated
wherein said crystals comprise (a) unit cell dimensions: a=71.710
.ANG., b=72.076 .ANG., c=84.466 .ANG., .alpha.=76.119.degree.,
.beta.=84.738.degree. .gamma.=80.343.degree.; and (b) Space Group:
P1 (number 1). In an embodiment of the invention, the crystal is
characterized by structural coordinates comprising a root mean
square deviation of conserved residue backbone atoms or alpha
carbon atoms of less than about 1.5 .ANG., 1.0 .ANG., 0.5 .ANG. or
0.1 .ANG., when superimposed on backbone atoms or alpha carbon
atoms described by structural coordinates of Table 2. In another
embodiment, the crystal is characterized by the structural
coordinates of Table 2.
[0006] The present invention also provides an isolated crystal
comprising mouse Ah.sub.6-ERK2 polypeptide (e.g., SEQ ID NO: 5) and
an isolated crystal comprising mouse ERK2 polypeptide (e.g., SEQ ID
NO: 6) wherein said crystals comprise (a) unit cell dimensions:
a=70.611 .ANG., b=92.158 .ANG., c=63.735 .ANG.,
.alpha.=.beta.=.gamma.=90.degree.; and (b) Space Group:
P2.sub.12.sub.12 (Number 18). In an embodiment of the invention,
the crystal is characterized by structural coordinates comprising a
root mean square deviation of conserved residue backbone atoms or
alpha carbon atoms of less than about 1.5 .ANG., 1.0 .ANG., 0.5
.ANG. or 0.1 .ANG., when superimposed on backbone atoms or alpha
carbon atoms described by structural coordinates of Table 1. In an
embodiment of the invention, the crystal is characterized by the
structural coordinates of Table 1.
[0007] The invention also provides an isolated crystal comprising
mouse dithiophosphorylated Ah.sub.6-ERK2 polypeptide wherein
threonine 190 is thiophosphorylated and tyrosine 192 is
thiophosphorylated (e.g., SEQ ID NO: 5) and an isolated crystal
comprising mouse dithiophosphorylated ERK2 polypeptide (e.g., SEQ
ID NO: 6) wherein threonine 183 is thiophosphorylated and tyrosine
185 is thiophosphorylated wherein said crystals comprise (a) Unit
Cell: a=92.892 .ANG., b=92.892 .ANG., c=99.829 .ANG.,
.alpha.=.beta.=90.degree. .gamma.=120.degree.; and (b) Space Group:
P3.sub.221 (number 154). In an embodiment of the invention, the
crystal is characterized by structural coordinates comprising a
root mean square deviation of conserved residue backbone atoms or
alpha carbon atoms of less than about 1.5 .ANG., 1.0 .ANG., 0.5
.ANG. or 0.1 .ANG. when superimposed on backbone atoms or alpha
carbon atoms described by structural coordinates of Table 3. In an
embodiment of the invention, the crystal is characterized by the
structural coordinates of Table 3.
[0008] The present invention also comprises an isolated crystal
comprising mouse Ah.sub.6-ERK2 (e.g. SEQ ID NO: 5) complexed with
1-olomoucine
##STR00001##
and an isolated crystal comprising mouse ERK2 (e.g., SEQ ID NO: 6)
complexed with 1-olomoucine
##STR00002##
comprising (a) Unit Cell: a=70.622 .ANG., b=92.154 .ANG., c=63.103
.ANG., .alpha.=.beta.=.gamma.=90.degree.; and (b) Space Group:
P2.sub.12.sub.12 (Number 18). In an embodiment of the invention,
the crystal is characterized by structural coordinates comprising a
root mean square deviation of conserved residue backbone atoms or
alpha carbon atoms of less than about 1.5 .ANG., 1.0 .ANG., 0.5
.ANG. or 0.1 .ANG. when superimposed on backbone atoms or alpha
carbon atoms described by structural coordinates of Table 4. In an
embodiment of the invention, the crystal is characterized by the
structural coordinates of Table 4.
[0009] Also provided by the present invention is a method for
crystallizing a mouse ERK2 polypeptide or mouse Ah.sub.6-ERK2
polypeptide (e.g., comprising the amino acid sequence of SEQ ID NO:
5 or 6) comprising placing said polypeptide (e.g., wherein the
polypeptide was expressed recombinantly, for example, in bacteria)
in an aqueous buffered solution comprising from about 1% to about
8% PEG 400 (v/v), about 2.4M ammonium sulfate and a pH of from
about 5.5 to about 6.7 (e.g., by the hanging-drop vapor diffusion
method). In an embodiment of the invention, the polypeptide is at a
concentration of about 5 mg/ml to about 25 mg/ml. In an embodiment,
the crystallization is carried out at 22.degree. C. Any crystal
produced by any embodiment of the method is also within the scope
of the present invention.
[0010] The present invention also provides a method for
crystallizing a diphosphorylated mouse ERK2 polypeptide, wherein
threonine 183 is phosphorylated and tyrosine 185 is phosphorylated
or diphosphorylated mouse Ah.sub.6-ERK2 polypeptide wherein
threonine 190 is phosphorylated and tyrosine 192 is phosphorylated
(e.g., comprising the amino acid sequence of SEQ ID NO: 5 or 6),
comprising placing said polypeptide (e.g., wherein the polypeptide
was expressed recombinantly, for example, in bacteria) in an
aqueous buffered solution of having a pH of from about 5 to about
6.2 and a concentration of from about 5% to about 30% isopropanol
(v/v) (e.g., by the hanging-drop vapor diffusion method). In an
embodiment of the invention, the polypeptide is at a concentration
of about 3 mg/ml to about 25 mg/ml. Any crystal produced by any
embodiment of the method is also within the scope of the present
invention.
[0011] The present invention further provides a method for
crystallizing a dithiophosphorylated mouse ERK2 polypeptide,
wherein threonine 183 is thiophosphorylated and tyrosine 185 is
thiophosphorylated or dithiophosphorylated mouse Ah.sub.6-ERK2,
wherein threonine 190 is thiophosphorylated and tyrosine 192 is
thiophosphorylated (e.g., comprising the amino acid sequence of SEQ
ID NO: 5 or 6), comprising placing said polypeptide (e.g., wherein
the polypeptide was expressed recombinantly, for example, in
bacteria) in an aqueous buffered solution of having a pH of from
about 5 to about 6.2 and a concentration of from about 5% to about
30% isopropanol (v/v) (e.g., by the hanging-drop vapor diffusion
method). In an embodiment of the invention, the polypeptide is at a
concentration of about 3 mg/ml to about 25 mg/ml. Any crystal
produced by any embodiment of the method is also within the scope
of the present invention.
[0012] Also provided by the present invention is a method for
making a crystal comprising mouse ERK2 or mouse Ah.sub.6-ERK2
polypeptide complexed with olomoucine
##STR00003##
(e.g., comprising the amino acid sequence of SEQ ID NO: 5 or 6)
comprising placing said polypeptide (e.g., wherein the polypeptide
was expressed recombinantly, for example, in bacteria) in an
aqueous buffered solution comprising from about 1% to about 8% PEG
400 (v/v), about 2.4M ammonium sulfate and a pH of from about 5.5
to about 6.7, crystallizing the polypeptide by the hanging drop
vapor diffusion method and soaking said crystal in a solution
comprising olomoucine. Any crystal produced by any embodiment of
the method is also within the scope of the present invention.
[0013] The present invention also provides a computer for producing
a three-dimensional representation of (i) unphosphorylated mouse
Ah.sub.6-ERK2 or a homologue thereof, (ii) unphosphorylated mouse
ERK2 or a homologue thereof, (iii) diphosphorylated mouse
Ah.sub.6-ERK2 or a homologue thereof, (iv) diphosphorylated mouse
ERK2 or a homologue thereof, (v) dithiophosphorylated mouse
Ah.sub.6-ERK2 or a homologue thereof, (vi) dithiophosphorylated
mouse ERK2 or a homologue thereof, (vii) unphosphorylate mouse
Ah.sub.6-ERK2 complexed with olomoucine
##STR00004##
or a homologue thereof; or (viii) unphosphorylated mouse ERK2
complexed with olomoucine
##STR00005##
or a homologue thereof; wherein said computer comprises: (a) a
machine-readable data storage medium comprising a data storage
material encoded with machine-readable data, wherein said data
comprises the structure coordinates of Table 1, 2, 3, or 4; (b) a
working memory for storing instructions for processing said
machine-readable data; (c) a central-processing unit coupled to
said working memory and to said machine-readable data storage
medium for processing said machine readable data into said
three-dimensional representation; and (d) a display unit coupled to
said central-processing unit for displaying said three-dimensional
representation. In an embodiment of the invention, the root mean
square deviation between said homologue and the structure
coordinates set forth in Table 1, 2, 3, or 4 is less than about 1
.ANG.; less than about 0.5 .ANG. or less than about 0.1 .ANG.. In
an embodiment of the invention, the display unit is displaying the
three dimensional representation.
[0014] The present invention also provides a method of using the
three-dimensional structure coordinates of any one of Tables 1-4,
comprising: (a) determining structure factors from the coordinates;
and (b) applying said structure factor information to a set of
X-ray diffraction data obtained from a crystal of a protein
homologous to mouse ERK2 (e.g., SEQ ID NO: 5 or 6); and (c) solving
the three-dimensional structure of the protein homologous to mouse
ERK2 (e.g., SEQ ID NO: 5 or 6).
[0015] The present invention also provides a method for identifying
a potential inhibitor of a kinase comprising: (a) selecting or
designing a potential inhibitor by performing rational drug design
with a computer readable data storage material encoded with
computer readable data comprising structure coordinates of any of
Tables 1-4, wherein said selecting is performed in conjunction with
computer modeling; (b) contacting the potential inhibitor with a
kinase; and (c) detecting the ability of the potential inhibitor
for inhibiting the kinase.
[0016] The present invention also provides as method for producing
phosphorylated ERK2 (e.g., Ah6-ERK2) comprising contacting an ERK2
polypeptide with MEK1 and ATP with Mg.sup.2+ (e.g., MgCl.sub.2). In
an embodiment of the invention, ATP is present at a molar amount
that is more than Mg.sup.2+ (e.g., MgCl.sub.2). For example, in an
embodiment of the invention. ATP is present at an equal molar to
that of Mg.sup.2+ (e.g., MgCl.sub.2) wherein EDTA (a divalent
cation chelator) is also present. In an embodiment of the
invention, a phosphatase inhibitor, such as orthovanadate of
potassium fluoride is also present. The present method further,
optionally comprises isolating or purifying the phosphorylated ERK2
from the phosphorylation reaction components. In an embodiment of
the invention, the concentration of ATP is 200-fold that of the
ERK2 polypeptide. In an embodiment of the invention, ERK2 is
completely, quantitatively phosphorylated at T190 and Y192 of
Ah6-ERK2 (corresponding to T183 and Y185 of unfused ERK2). The
present invention further comprises any diphosphorylated ERK2
produced by the foregoing method.
[0017] The present invention further provides a method for
producing dithiophosphorylated ERK2 (e.g., Ah6-ERK2) comprising
contacting ERK2 polypeptide with MEK1 and ATP.gamma.S and Mg.sup.2+
(e.g., MgCl.sub.2). The present method further, optionally
comprises isolating or purifying the di-thiophosphorylated ERK2
from the thiophosphorylation reaction components. In an embodiment
of the invention, the concentration of ATP.gamma.S is at a 10-fold
excess over ERK2 polypeptide. In an embodiment of the invention,
ERK2 is completely, quantitatively thiophosphorylated at T190 and
Y192 of Ah6-ERK2 (corresponding to T183 and Y185 of unfused ERK2).
The present invention further comprises any dithiophosphorylated
ERK2 produced by the foregoing method.
DETAILED DESCRIPTION OF THE INVENTION
[0018] In accordance with the present invention, there may be
employed conventional molecular biology, microbiology, and
recombinant DNA techniques within the skill of the art. Such
techniques are explained fully in the literature. See, e.g.,
Sambrook, Fritsch & Maniatis, Molecular Cloning: A Laboratory
Manual, Second Edition (1989) Cold Spring Harbor Laboratory Press,
Cold Spring Harbor, N.Y. (herein "Sambrook et al., 1989"); DNA
Cloning: A Practical Approach, Volumes I and II (D. N. Glover ed.
1985); Oligonucleotide Synthesis (M. J. Gait ed. 1984); Nucleic
Acid Hybridization [B. D. Hames & S. J. Higgins eds. (1985)];
Transcription And Translation [B. D. Hames & S. J. Higgins,
eds. (1984)]; Animal Cell Culture [R. I. Freshney, ed. (1986)];
Immobilized Cells And Enzymes [IRL Press, (1986)]; B. Perbal, A
Practical Guide To Molecular Cloning (1984); F. M. Ausubel et al.
(eds.), Current Protocols in Molecular Biology, John Wiley &
Sons, Inc. (1996) (herein "Ausubel et al., 1996").
[0019] "Ah.sub.6-ERK2" or "mouse Ah.sub.6-ERK2" is mouse ERK2
comprising N-terminal Ala-His.sub.6-. For example, in an embodiment
of the invention, Ah.sub.6-ERK2 comprises the amino acid sequence
of SEQ ID NO: 5. In an embodiment of the invention, "mouse ERK2",
not fused to an Ah.sub.6 tag, comprises the amino acid sequence of
SEQ ID NO: 6. In some embodiments of the invention, Ah.sub.6-ERK2
comprises an N-terminal Methionine (e.g., SEQ ID NO: 3).
[0020] Mouse ERK2 polypeptide is well known in the art. For
example, a mouse ERK2 polypeptide sequence is set forth under
Genbank Accession No. BAA01733. The present invention includes ERK2
crystals comprising unphosphorylated, phosphorylated (e.g.,
diphosphorylated at T183 and Y185) or thiophosphorylated (e.g.,
dithiophosphorylated at T183 and Y185) ERK2. The present invention
also includes Ah.sub.6-ERK2 that is unphosphorylated,
di-phosphorylated at T190 and at Y192 (i.e., residues corresponding
to T183 and Y185 in the unfused ERK2 polypeptide) or
di-thiophosphorylated at T190 and at Y192.
[0021] The term "olomoucine" or "1-olomoucine" refers to
##STR00006##
(Vesely et al., Eur. J. Biochem. 224: 771-786 (1994)). The present
invention includes crystals comprising Ah.sub.6-ERK2 or ERK2
complexed with olomoucine.
[0022] The term "enzymatically active" means a protein is
catalytically active and, preferably, can phosphorylate a protein
or peptide substrate (e.g., Ets.DELTA.138; Waas et al.; Biochim
Biophys Acta. 1697(1-2):81-87 (2004)).
[0023] In addition to ERK2 polypeptides described in the art,
various mutant forms, homologues and variants of ERK2 can be
employed; and crystals comprising such variants are within the
scope of the present invention. The terms "mutant" and "mutation"
refer to any detectable change in genetic material or amino acid
sequence. This includes gene mutations, in which the structure
(e.g., DNA sequence) of a gene is altered, any gene or DNA arising
from any mutation process, and any expression product (e.g., RNA or
protein) expressed by a modified gene or DNA sequence. The term
"variant" may also be used to indicate a modified or altered gene,
DNA sequence, polypeptide or enzyme, etc., i.e., any kind of
mutant. Sequence- and function-conservative variants of ERK2
polypeptides are contemplated for use in the present invention and
the present invention includes any crystal comprising any ERK2
variant. A natural allelic variant is one of several alternate
naturally occurring forms of a gene occupying a given locus on a
chromosome of an organism (Genes II, Lewin, B., ed., John Wiley
& Sons, New York (1985)). "Function-conservative variants" of
ERK2 are those in which a given amino acid residue in a ERK2
polypeptide has been changed without significantly altering the
overall conformation and/or function of the polypeptide, including,
but not limited to, replacement of an amino acid with one having
similar properties (such as, for example, polarity, hydrogen
bonding potential, acidic, basic, hydrophobic, aromatic (see
infra)).
[0024] Protein or polypeptide sequence homology, or sequence
identity, is determined by optimizing residue matches, if
necessary, by introducing gaps as required. See, e.g., Needleham,
et al. J. Mol. Biol. 48:443-453 (1970); Sankoff et al., "Time
Warps, String Edits, and Macromolecules: The Theory and Practice of
Sequence Comparison", Ch. 1, Addison-Wesley, Reading, Mass. (1983);
and software packages from IntelliGenetics, Mountain View, Calif.
and the University of Wisconsin Genetics Computer Group (GCG),
Madison, Wis.
[0025] The present invention includes any ERK2 polypeptide crystal
wherein the amino acid sequence comprises less than 100% homology
or identity to, for example, the ERK2 sequence of SEQ ID NO: 5 or 6
(e.g., natural allelic variations or homologues of ERK2).
Preferably, an ERK2 polypeptide that is less than 100% homologous
or identical to SEQ ID NO: 5 or 6 is enzymatically active. Sequence
"identity" refers to exact matches between the amino acids of two
sequences which are being compared. Sequence similarity refers to
both exact matches between the amino acids of two polypeptides
which are being compared in addition to matches between
nonidentical, biochemically related amino acids. For example,
biochemically related amino acids which share similar properties
can fall within the following groups: polar/hydrophilic amino acids
including asparagine, glutamine, serine, cysteine, threonine,
lysine, arginine, histidine, aspartic acid and glutamic acid;
nonpolar/hydrophobic amino acids including glycine, alanine,
valine, leucine, isoleucine, proline, tyrosine, phenylalanine,
tryptophan and methionine; acidic amino acids including aspartic
acid and glutamic acid and basic amino acids including histidine,
lysine and arginine. Typical ERK2 polypeptides and homologues
thereof used in this invention will have from 50-100% homology or
identity, to 60-100% homology or identity, e.g., with ERK2
comprising the amino acid sequence of SEQ ID NO: 5 or 6. The
present invention includes crystals comprising ERK2 polypeptide or
a homologue thereof comprising at least about 70% homology or
identity, generally at least 76% homology or identity, more
generally at least 81% homology or identity, often at least 85%
homology or identity, more often at least 88% homology or identity,
typically at least 90% homology or identity, more typically at
least 92% homology or identity, usually at least 94% homology or
identity, more usually at least 95% homology or identity,
preferably at least 96% homology or identity, and more preferably
at least 97% homology or identity, and in particularly preferred
embodiments, at least 98% or more (e.g., 99%) homology or identity
to the amino acid sequence of SEQ ID NO: 5 or 6.
[0026] The terms "express" and "expression" mean allowing or
causing the information in a gene or DNA sequence to become
manifest, e.g., producing a protein by activating the cellular
functions involved in transcription and, optionally, translation of
a corresponding gene or DNA sequence. A DNA sequence can be
expressed using in vitro translation systems (e.g., rabbit
reticulocyte lysate-based systems) or in or by a cell (e.g., an
insect cell) to form an "expression product" such as a mRNA or a
protein. The expression product, e.g. the resulting protein, may
also be referred to as "expressed".
[0027] An insect cell used in this invention includes any cell
derived from an organism of the class Insecta. In an embodiment of
the invention, the insect is Spodoptera fruigiperda (e.g., Sf9 or
Sf21) or Trichoplusia ni (e.g., High Five.TM. cells; Invitrogen;
Carlsbad, Calif.)). Other examples of insect expression systems
that can be used with the present invention, for example to produce
ERK2 polypeptide, include Bac-To-Bac (Invitrogen Corporation,
Carlsbad, Calif.) or Gateway (Invitrogen Corporation, Carlsbad,
Calif.).
[0028] An ERK2 polypeptide can also be produced by any conventional
method, including synthetic methods, such as solid phase, liquid
phase and combination solid/liquid phase polypeptide syntheses;
recombinant DNA methods, including cDNA cloning, optionally
combined with site-directed mutagenesis; and/or purification of the
natural products, optionally combined with enzymatic or chemical
cleavage methods to produce fragments of naturally-occurring
ERK2.
[0029] It may also be desirable to add amino acids at the amino- or
carboxy-terminus of a ERK2 polypeptide, e.g., to prepare a fusion
protein. In one embodiment, the addition is a polyhistidine tag of
5-20 amino acids, preferably 6 amino acids, in length. For example,
the present invention includes crystals comprising Ah.sub.6-ERK2,
wherein Met-Ala-His.sub.6 is appended to the ERK2 N-terminus (e.g.,
SEQ ID NO: 3) and crystals wherein the Met has been cleaved off
(e.g., SEQ ID NO: 5). A histidine tag for aiding in purification of
a ERK2 polypeptide can be located at the carboxy-terminus. In
another embodiment, a myc tag is added to the carboxy-terminus of
ERK2. A myc tag may be used for detection or immunopurification of
ERK2. The myc tag and a polyhistidine tag may both be located at
the carboxy-terminus or amino-terminus in a doubly-tagged ERK2.
[0030] The present invention contemplates crystals comprising ERK2
which has been modified (e.g., post-translationally modified)
(e.g., phosphorylation, thiophosphorylation, sulfonation,
PEGylation). Although ERK2 may be produced, for example, in
mammalian cells (e.g., CHO cells, NIH3T3 cells), it is preferable
to produce the protein recombinantly in an insect cell expression
system (e.g., High Five.TM. cells). Initial purification may be
accomplished by nickel chelate chromatography, as previously
described in: Ausubel et al. supra. The ERK2 preparation may be
subjected to anion exchange chromatography (e.g., MonoQ) for
further purification. It may also be desirable to subject the ERK2
preparation to standard size exclusion gel filtration. The protein
preparation may be further concentrated using standard
techniques.
[0031] An ERK2 preparation can contain a protein stabilizing agent,
a salt, a buffering agent and, optionally, a reducing agent or
oxygen scavenger. Examples of suitable reducing agents are
dithiothreitol (DTT), dithioerythritol (DET) and
.beta.-mercaptoethanol (BME).
[0032] A "precipitant" is a compound that decreases the solubility
of a polypeptide in a concentrated solution. Alternatively, the
term "precipitant" can be used to refer to a change in physical or
chemical parameters which decreases polypeptide solubility,
including temperature, pH and salt concentrations. Precipitants
induce crystallization by forming an energetically unfavorable
precipitant-depleted layer around the polypeptide molecules. To
minimize the relative amount of this depletion layer, the
polypeptides form associations and, ultimately, crystals. This
process is explained in Weber, Advances in Protein Chemistry
41:1-36 (1991) which is incorporated by reference. In addition to
precipitants, other materials are sometimes added to the
polypeptide crystallization solution. These include buffers, such
as Tris or Hepes, to adjust the pH of the solution (and hence
surface charge on the peptide) and salts, such as sodium chloride,
lithium chloride and sodium citrate, to reduce the solubility of
the polypeptide. Various precipitants are known in the art and
include the following: ammonium sulfate, ethanol, isopropanol,
3-ethyl-2,4 pentanediol; and many of the polyglycols, such as
polyethylene glycol (e.g., PEG 400).
[0033] Crystallization may be accomplished by using any of the
known methods in the art (Giege, et al., (1994) Acta Crystallogr.
D50: 339-350; McPherson, (1990) Eur. J. Biochem. 189: 1-23). Such
techniques include hanging drop vapor diffusion, sitting drop vapor
diffusion, microbatch and dialysis. Preferably, hanging-drop vapor
diffusion (see e.g., McPherson, (1976) J. Biol. Chem. 251:
6300-6303) is used. Both hanging drop and sitting drop vapor
diffusion entail a droplet containing purified protein, buffer, and
precipitant being allowed to equilibrate with a larger reservoir
containing similar buffers and precipitants in higher
concentrations. Initially, the droplet of protein solution contains
an insufficient concentration of precipitant for crystallization,
but as water vaporizes from the drop and transfers to the
reservoir, the precipitant concentration increases to a level
optimal for crystallization. Since the system is in equilibrium,
these optimum conditions are maintained until the crystallization
is complete. The hanging drop method differs from the sitting drop
method in the vertical orientation of the protein solution drop
within the system. In the microbatch method, polypeptide is mixed
with precipitants to achieve supersaturation, the vessel is sealed
and set aside until crystals appear. In the dialysis method,
polypeptide is retained in a sealed dialysis membrane which is
placed into a solution containing precipitant. Equilibration across
the membrane increases the precipitant concentration thereby
causing the polypeptide to reach supersaturation levels. It is
desirable to use a ERK2 protein preparation having a concentration
of at least about 1 mg/mL and preferably about 10 mg/mL to about 20
mg/mL.
[0034] The crystals of the present invention have a wide range of
uses. For example, high quality crystals are suitable for X-ray or
neutron diffraction analysis to determine the three dimensional
structure of ERK2 and, in particular, to assist in the
identification of the protein's active and effector sites.
Knowledge of these sites and solvent accessible residues allow
structure-based design and construction of agonists and antagonists
for ERK2.
[0035] In addition, crystallization itself can be used as a
purification method. In some instances, a polypeptide or protein
crystallizes from a heterogeneous mixture into crystals. Isolation
of such crystals by filtration and/or centrifugation, followed by
redissolving the polypeptide affords a purified solution suitable
for use in growing high-quality crystals which are preferred for
diffraction analysis.
[0036] Once a crystal of the present invention is grown, X-ray
diffraction data can be collected. One method for determining
structure with X-ray diffraction data includes use of synchrotron
radiation, under standard cryogenic condition; however, alternative
methods may also be used. For example, crystals can be
characterized by using X-rays produced by a conventional source,
such as a sealed tube or a rotating anode. Methods of
characterization include, but are not limited to, precession
photography, oscillation photography and diffractometer data
collection.
[0037] The crystallizable compositions provided by this invention
are amenable to X-ray crystallography for providing the
three-dimensional structure of a ERK2 polypeptide. The present
invention includes crystals which effectively diffract X-rays for
the determination of the atomic coordinates of ERK2 to a resolution
of greater than about 5.0 Angstroms (e.g., about 4.5 .ANG., about
4.0 .ANG., about 3 .ANG., about 2.5 .ANG., about 2 .ANG., about 1
.ANG., about 0.5 .ANG., about 0.1 .ANG.), preferably greater than
about 4.0 Angstroms (e.g., about 3 .ANG., about 2.5 .ANG., about 2
.ANG., about 1 .ANG., about 0.5 .ANG., about 0.1 .ANG.), more
preferably greater than about 2.8 Angstroms (e.g., about 2.5 .ANG.,
about 2 .ANG., about 1 .ANG., about 0.5 .ANG., about 0.1 .ANG.) and
most preferably greater than about 2.0 Angstroms (e.g., about 1.5
.ANG., about 1.0 .ANG., about 0.5 .ANG., about 0.1 .ANG.).
[0038] The present invention includes ERK2 crystals whose
three-dimensional structure is described by the structure
coordinates set forth in Tables 1-4. The scope of the present
invention also includes crystals which possess structural
coordinates which are similar to those set forth in Table 1-4;
preferably, the crystals or the soluble polypeptides which are used
to form the crystals exhibit ERK2 catalytic activity (see above).
Most preferably, the crystals include a polypeptide which includes
the amino acid sequence of SEQ ID NO: 5 or 6. Structural similarity
between crystals is discussed in detail below.
[0039] The term "structure coordinates" refers to Cartesian
coordinates derived from mathematical equations related to the
patterns obtained on diffraction of a beam of X-rays by the atoms
(scattering centers) of a molecule. The diffraction data are used
to calculate electron density maps and to establish the positions
of the individual atoms of the molecule.
[0040] Those of skill in the art will understand that a set of
structure coordinates for an enzyme or an enzyme-complex or a
portion thereof, is a relative set of points that define a shape in
three dimensions. Thus, it is possible that an entirely different
set of coordinates could define a similar or identical shape.
Moreover, slight variations in the individual coordinates will have
little effect on overall shape.
[0041] The present invention includes crystals exhibiting
structural coordinates which are similar to those set forth in
Tables 1-4 but for crystallographic permutations of the structure
coordinates, fractionalization of the structure coordinates,
additions, subtractions, rotations or translations to sets of the
structure coordinates or any combinations of the above.
[0042] Alternatively, modifications in the crystal structure due to
mutations, additions, substitutions, and/or deletions of amino
acids, or other changes in any of the components that make up the
crystal may also account for variations in structure coordinates.
If such variations are within an acceptable standard error as
compared to the coordinates of Tables 1-4, the resulting
three-dimensional shape is considered to be the same and,
accordingly, the modified crystal is considered to be within the
scope of the present invention.
[0043] Various computational analyses may be necessary to determine
whether a crystal is sufficiently similar to the crystals whose
structural coordinates are set forth in Tables 1-4 as to be
considered the same. Such analyses may be carried out in current
software applications, such as the Molecular Similarity application
of QUANTA (Molecular Simulations Inc., San Diego, Calif.) version
4.1, and as described in the accompanying User's Guide.
[0044] The Molecular Similarity application permits comparisons
between different structures, different conformations of the same
structure, and different parts of the same structure. In general,
the procedure used in Molecular Similarity to compare structures is
divided into four steps: 1) input the structures to be compared; 2)
define the atom equivalences in these structures; 3) perform a
fitting operation; and 4) analyze the results.
[0045] Generally, each structure is identified by a name. One
structure is identified as the target (i.e., the fixed structure);
all remaining structures are working structures (i.e., moving
structures). Since atom equivalency within QUANTA is defined by
user input, for the purpose of this invention we will define
equivalent atoms as protein backbone atoms (N, C.alpha., C and O)
for all conserved residues between the two structures being
compared.
[0046] When a rigid fitting method is used, the working structure
is translated and rotated to obtain an optimum fit with the target
structure. The fitting operation uses a least squares fitting
algorithm that computes the optimum translation and rotation to be
applied to the moving structure, such that the root mean square
difference of the fit over the specified pairs of equivalent atom
is an absolute minimum. This number, given in Angstroms, is
reported by QUANTA.
[0047] The term "root mean square deviation" (RMSD) is a commonly
known term in the art which, in general, means the square root of
the arithmetic mean of the squares of the deviations from the mean
distance of corresponding atoms. It is a way to express the
deviation or variation from a trend or object.
[0048] For the purpose of this invention, any set of structure
coordinates of a molecule that has a RMSD of conserved residue
backbone atoms (N, C.alpha., C, O) or alpha carbon atoms only of
less than about 1.5 .ANG. when superimposed--using backbone
atoms--on the relevant structure coordinates of Table 1, 2, 3, or 4
are considered identical and the crystals which they characterize
are both within the scope of the present invention. Preferably, the
root mean square deviation is less than about 1.0 .ANG., even more
preferably, the root mean square deviation is less than about 0.5
.ANG. and most preferably, the root mean square deviation is less
than about 0.1 .ANG..
[0049] The term "least squares" refers to a method based on the
principle that the best estimate of a value is that in which the
sum of the squares of the deviations of observed values is a
minimum.
[0050] In accordance with the present invention, the structure
coordinates of the ERK2 polypeptide and portions thereof may be
stored in a machine-readable storage medium. Such data may be used
for a variety of purposes, such as drug discovery and X-ray
crystallographic analysis of a protein crystal (e.g., for producing
a three-dimensional representation of ERK2). Accordingly, one
aspect of this invention provides a machine-readable data storage
medium comprising a data storage material encoded with the
structure coordinates set forth in Table 1, 2, 3 or 4. The
machine-readable data storage medium may also include any set of
structure coordinates of a molecule that has a root mean square
deviation of conserved residue backbone atoms (N, C.alpha., C, O)
or alpha carbon atoms only of less than about 1.5 .ANG.,
preferably, less than about 1.0 .ANG., more preferably less than
about 0.5 .ANG. and even more preferably less than about 0.1 .ANG.
when superimposed--using backbone atoms--on the relevant structure
coordinates of Table 1, 2, 3 or 4.
[0051] A computer system, useful in reading the machine readable
data storage medium, includes a computer comprising a central
processing unit ("CPU") and a memory storage device and is also
within the scope of the present invention. In general, the computer
system may be any computer with an operating system such as MS-DOS,
PC-DOS, Windows, OS/2, Unix, Unix variant or MacOS. Particularly
preferred computer systems are the Silicon Graphics Octane
workstation or Compaq AlphaServer DS20. Other hardware systems and
software packages will be known to those skilled in the art.
[0052] Input hardware coupled to the computer system by input line,
may be implemented in a variety of ways. Machine-readable data of
this invention may be input via the use of a modem or modems
connected by a telephone line or a dedicated data line.
Alternatively or additionally, the input hardware may comprise
CD-ROM drives or disk drives. A keyboard may also be used as an
input device.
[0053] Output hardware, coupled to the computer system by output
lines, may similarly be implemented by conventional devices. By way
of example, output hardware may include a display terminal (e.g., a
cathode ray tube (CRT)) for displaying a graphical representation
of the three dimensional structure of ERK2 or a portion thereof
using a program such as INSIGHT (Molecular Simulations Inc., San
Diego, Calif.) or QUANTA as described herein. Output hardware might
also include a printer, so that hard copy output may be produced,
or a disk drive, to store system output for later use. In preferred
embodiments, the computer possesses a display that is displaying a
three dimensional representation of ERK2 or a fragment or homologue
thereof.
[0054] In operation, the central processing unit (CPU) coordinates
the use of the various input and output devices, coordinates data
accesses from mass storage and accesses to and from working memory,
and determines the sequence of data processing steps. A number of
programs may be used to process the machine-readable data of this
invention. Such programs are discussed in reference to the
computational methods of drug discovery as described herein.
Specific references to components of the computer system are
included as appropriate throughout the following description of the
data storage medium.
[0055] A magnetic data storage medium can be encoded with a
machine-readable data by a computer system as described above.
Storage medium may be, for example, a conventional floppy diskette
or hard disk, having a suitable substrate, which may be
conventional, and a suitable coating, which may be conventional, on
one or both sides, containing magnetic domains whose polarity or
orientation can be altered magnetically. The magnetic domains of
the coating of medium may be polarized or oriented so as to encode,
in a manner which may be conventional, machine readable data, such
as that described herein, for execution by a system as described
herein. Storage medium may also have an opening for receiving the
spindle of a disk drive or other data storage device.
Alternatively, an optically-readable data storage medium can be
encoded with such machine-readable data, or a set of instructions.
Medium can be a conventional compact disk read only memory (CD-ROM)
or a rewritable medium such as a magneto-optical disk which is
optically readable and magneto-optically writable.
[0056] In general, in the case of CD-ROM, as is well known, disk
coating is reflective and is impressed with a plurality of pits to
encode the machine-readable data. The arrangement of the pits is
read by reflecting laser light off the surface of the coating. A
protective coating, which preferably is substantially transparent,
is provided on top of the coating.
[0057] In general, in the case of a magneto-optical disk, as is
well known, disk coating has no pits, but has a plurality of
magnetic domains whose polarity or orientation can be changed
magnetically when heated above a certain temperature, as by a
laser. The orientation of the domains can be read by measuring the
polarization of laser light reflected from the coating. The
arrangement of the domains encodes the data as described above.
[0058] "Structure factors" are mathematical expressions derived
from three-dimensional structure coordinates of a molecule. These
mathematical expressions include, for example, amplitude and phase
information. The term "structure factors" is known to those of
ordinary skill in the art.
[0059] The present invention permits the use of structure-assisted
drug design techniques to design, select, and synthesize chemical
entities, including inhibitory compounds that are capable of
binding to a ERK2 polypeptide. Also, de novo and iterative drug
design methods can be used to develop drugs from the structure of
the ERK2 crystals of this invention.
[0060] One particularly useful drug design technique enabled by
this invention is structure-assisted drug design.
Structure-assisted drug design is a method for optimizing
associations between a protein and a compound by determining and
evaluating the three-dimensional structures of successive sets of
protein/compound complexes.
[0061] Numerous computer programs are available and suitable for
structure-assisted drug design and the processes of computer
modeling, model building, and computationally identifying,
selecting and evaluating potential inhibitors in the methods
described herein. These include, for example, GRID (available form
Oxford University, UK), MCSS (available from Molecular Simulations
Inc., Burlington, Mass.), AUTODOCK (available from Oxford Molecular
Group), FLEX X (available from Tripos, St. Louis. Mo.), DOCK
(available from University of California, San Francisco), CAVEAT
(available from University of California, Berkeley), HOOK
(available from Molecular Simulations Inc., Burlington, Mass.), and
3D database systems such as MACCS-3D (available from MDL
Information Systems, San Leandro, Calif.), UNITY (available from
Tripos, St. Louis. Mo.), and CATALYST (available from Molecular
Simulations Inc., Burlington, Mass.). Potential inhibitors may also
be computationally designed "de novo" using such software packages
as LUDI (available from Biosym Technologies, San Diego, Calif.),
LEGEND (available from Molecular Simulations Inc., Burlington,
Mass.), and LEAPFROG (Tripos Associates, St. Louis, Mo.). Compound
deformation energy and electrostatic repulsion, may be evaluated
using programs such as GAUSSIAN 92, AMBER, QUANTA/CHARMM, AND
INSIGHT II/DISCOVER. These computer evaluation and modeling
techniques may be performed on any suitable hardware including for
example, workstations available from Silicon Graphics, Sun
Microsystems, and the like. These techniques, methods, hardware and
software packages are representative and are not intended to be
comprehensive listing. Other modeling techniques known in the art
may also be employed in accordance with this invention. See for
example, N. C. Cohen, Molecular Modeling in Drug Design, Academic
Press (1996) (and references therein), and software identified at
internet sites including the CAOS/CAMM Center Cheminformatics Suite
at http://www.caos.kun.nl/, and the NIH Molecular Modeling Home
Page at http://www.fi.muni.cz/usr/mejzlik/mirrors/molbio.
info.nih.gov/modeling/software list/.
[0062] Those skilled in the art will appreciate that association of
natural ligands or substrates with the binding pockets of their
corresponding receptors or enzymes is the basis of many biological
mechanisms of action. The term "binding pocket", as used herein,
includes any region of a molecule or molecular complex, that, as a
result of its shape, favorably associates with another chemical
entity or compound. Similarly, drugs may exert their biological
effects through association with the binding pockets of receptors
and enzymes. Such association may occur with all or any part of the
binding pockets. An understanding of such associations will help
lead to the design of drugs having more favorable associations with
the target enzyme, and thus, improved biological effects.
Therefore, this information is valuable in designing potential
enzyme inhibitors, such as inhibitors of ERK2.
[0063] In iterative structure-assisted drug design, crystals of a
series of protein/compound complexes are obtained and then the
three-dimensional structure of each complex is solved. Such an
approach provides insight into the association between the proteins
and compounds of each complex. This is accomplished by selecting
compounds with inhibitory activity, obtaining crystals of a new
polypeptide, solving the three-dimensional structure of the
polypeptide, and comparing the associations between the new protein
and previously solved protein. By observing how changes in the
compound affected the protein/compound associations, these
associations may be optimized.
[0064] In some cases, iterative structure-assisted drug design is
carried out by forming successive protein-compound complexes and
then crystallizing each new complex. Alternatively, a pre-formed
protein crystal is soaked in the presence of an inhibitor, thereby
forming a protein/compound complex and obviating the need to
crystallize each individual protein/compound complex.
Advantageously, ERK2 crystals provided by this invention may be
soaked in the presence of a compound or compounds, such as an ERK2
inhibitor (e.g., olomoucine), substrates or other ligands to
provide novel ERK2/compound crystal complexes. As used herein, the
term "soaked" includes a process in which the crystal is
transferred to a solution containing the compound of interest.
[0065] The structure coordinates set forth in Tables 1-4 can also
be used to aid in obtaining structural information about another
crystallized molecule or molecular complex. This may be achieved by
any of a number of well-known techniques, including molecular
replacement.
[0066] The structure coordinates set forth in Tables 1-4 can also
be used for determining at least a portion of the three-dimensional
structure of molecules or molecular complexes which contain at
least some structurally similar features to ERK2. In particular,
structural information about another crystallized molecule or
molecular complex may be obtained by well-known techniques,
including molecular replacement.
[0067] Therefore, another aspect of this invention provides a
method of utilizing molecular replacement to obtain structural
information about a crystallized molecule or molecular complex,
whose structure is unknown, comprising the steps of generating an
X-ray diffraction pattern from said crystallized molecule or
molecular complex and applying crystallographic phases derived from
at least a portion of the structure coordinates set forth in Table
1, 2, 3 or 4 to the X-ray diffraction pattern to generate a
three-dimensional electron density map of the molecule or molecular
complex whose structure is unknown. Once the structure coordinates
of a protein crystal have been determined, they are useful in
solving the structures of other crystals. For example, polypeptides
may be crystallized and their structure elucidated by, for example,
difference Fourier techniques and molecular replacement.
[0068] By using molecular replacement, all or part of the structure
coordinates of for example, the ERK2 polypeptide provided by this
invention (and set forth in Tables 1-4) can be used to determine
the previously unknown structure of a crystallized molecule or
molecular complex more quickly and efficiently than attempting to
determine such information ab initio.
[0069] In a preferred embodiment, the method of molecular
replacement is utilized to obtain structural information about a
molecule wherein the molecule comprises an ERK2 polypeptide
complex. The structure coordinates of ERK2 provided by this
invention are particularly useful in solving the structure of other
crystal forms of ERK2 polypeptide complexes. This approach enables
the determination of the optimal sites for interaction between
chemical entities, including interaction of candidate inhibitors
with ERK2.
[0070] Molecular replacement provides an accurate estimation of the
phases for an unknown structure. Phases are a factor in equations
used to solve crystal structures that cannot be measured
experimentally. Obtaining accurate values for the phases, by
methods other than molecular replacement, is a time-consuming
process. However, when the crystal structure of a protein
containing a homologous portion has been solved, the phases from
the known structure may provide a satisfactory estimate of the
phases for the unknown structure.
[0071] Thus, this method involves generating a preliminary model of
a molecule or molecular complex whose structure coordinates are
unknown, by orienting and positioning the relevant portion of the
ERK2 crystal according to Table 1, 2, 3 or 4 within the unit cell
of the crystal of the unknown molecule or molecular complex so as
best to account for the observed X-ray diffraction pattern
amplitudes to generate an election density map of the structure
whose coordinates are unknown. This, in turn, can be subjected to
any well-known model building and structure refinement techniques
to provide a final, accurate structure of the unknown crystallized
molecule or molecular complex (Lattman, "Use of the Rotation and
Translation Functions", in Meth. Enzymol., 115: 55-77 (1985);
Rossman, ed., "The Molecular Replacement Method", Int. Sci. Rev.
Ser., No. 13, Gordon & Breach, New York (1972)).
[0072] Phase information from the structure coordinates of the
present invention may be used to elucidate the structure of other
crystals. For example, the structure of ERK2 in complex with other
atoms or molecules (other than olomoucine) may be elucidated. Such
complexes include, for example, those containing atoms soaked into
or co-crystallized within the crystal lattice. Other structures
which can be elucidated using the phase information of the present
invention include for example other kinases or homologues or
mutants thereof having sufficient three-dimensional structure
similarity to ERK2 complex as to be solved using molecular
replacement. Also, these protein molecules in a complex with a
small molecule substrate(s), inhibitor(s), transition state
analog(s), product(s) or analog(s) of any of these may also be
solved using the phase information of the present invention.
[0073] The difference Fourier method simply calculates an electron
density map using phases calculated from the structure coordinates
and observed diffraction amplitudes from a crystal of an unknown
structure. This method is often used to solve structures of
protein/ligand complexes where the ligand is small and does not
affect the crystal form significantly.
[0074] ERK2 crystals may be studied using well-known X-ray
diffraction techniques and may be refined versus X-ray data to 3
.ANG. resolution or better to an R.sub.free value of about 0.40 or
less using computer software such as X-PLOR (Yale University, 1992,
distributed by Molecular Simulations, Inc.; see e.g., Blundell
& Johnson, supra; Meth, Enzymol., vol. 114 & 115, H. W.
Wyckoff et al., eds., Academic Press (1985)). This information may
be used to optimize known ERK2 inhibitors and to design new ERK2
inhibitors.
EXAMPLES
[0075] The following examples are intended to exemplify the present
invention and should not be construed to limit it. The scope of the
invention included all polypeptides and polynucleotides, including
crystals, described in the examples along with all methods
exemplified.
Example 1
The Cloning of Ah.sub.6-ERK2 Construct
[0076] Mouse ERK2 cDNA was cloned into the bacterial expression
vector NpT7-5-6His using EcoRI and HindIII sites. Prior to cloning
into NpT7-5-6His an internal EcoRI site in mouse ERK2 was
eliminated by site directed mutagenesis changing 621 T to C. The C
to which the T was changed is underlined and in sequence below (SEQ
ID NO: 4). This is a silent mutation yielding an AAC codon for the
amino acid 207 aspargine. This construct was used as the template
for PCR of mouse ERK2 using a pair of primers (listed below) that
encoding a start Met, 6His tag and the initial 12 amino acids of
mouse ERK2. The resulting PCR product was cloned into NpT7-5-6His
digested with EcoRI and Hind III. The construct was verified by
sequencing. The final nucleotide and amino acid sequences encoded
are shown below.
Primer NpT7-5 Mouse Erk2 Forward:
TABLE-US-00001 [0077] (SEQ ID NO: 1) CCG GAA TTC TAA GGA GGT TTA
ACC ATG GCA CAT CAC CAT CAC CAT CAC ATG GCG GCG GCG GCG GCG GCG GGC
CCG GAG ATG GTC
Primer Mouse Erk2 Reverse:
TABLE-US-00002 [0078] (SEQ ID NO: 2) CCC AAG CTT TTA AGA TCT GTA
TCC TGG CTG GAA TCT AGC AGT CTC TTC AA
Mouse ERK2 in NpT7-5-6His
TABLE-US-00003 [0079] (SEQ ID NO: 3)
MAHHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYD
NLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPT
IEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSAN
VLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYR
APEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGIL
GSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKML
TFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLK ELIFEETARFQPGYRS
(SEQ ID NO: 4) ATGGCACATCACCATCACCATCACATGGCGGCGGCGGCGGCGGCGGGCCC
GGAGATGGTCCGCGGGCAGGTGTTCGACGTAGGGCCGCGCTACACCAACC
TCTCGTACATCGGAGAAGGCGCCTACGGCATGGTTTGCTCTGCTTATGAT
AATCTCAACAAAGTTCGAGTTGCTATCAAGAAAATCAGTCCTTTTGAGCA
CCAGACCTACTGTCAAAGAACCCTAAGAGAGATAAAAATCTTACTGCGCT
TCAGACATGAGAACATCATTGGCATCAATGACATCATCCGGGCACCAACC
ATTGAGCAAATGAAAGATGTATATATAGTACAGGACCTCATGGAGACGGA
CCTTTACAAGCTCTTGAAGACACAGCACCTCAGCAATGACCACATCTGCT
ATTTTCTTTATCAGATCCTGAGAGGGCTAAAGTATATCCATTCAGCTAAC
GTTCTGCACCGTGACCTCAAGCCTTCCAACCTCCTGCTGAACACCACTTG
TGATCTCAAGATCTGTGACTTTGGCCTTGCCCGTGTTGCAGATCCAGATC
ATGATCACACAGGGTTCTTGACAGAGTACGTAGCCACACGTTGGTACAGA
GCTCCAGAAATTATGTTGAACTCCAAGGGTTATACCAAGTCCATTGATAT
TTGGTCTGTGGGCTGCATCCTGGCAGAGATGCTATCCAACAGGCCTATCT
TCCCAGGAAAGCATTACCTTGACCAGCTGAATCACATCCTGGGTATTCTT
GGATCTCCATCACAGGAAGATCTGAATTGTATAATAAATTTAAAAGCTAG
AAACTATTTGCTTTCTCTCCCGCACAAAAATAAGGTGCCATGGAACAGGT
TGTTCCCAAATGCTGACTCCAAAGCTCTGGATTTACTGGATAAAATGTTG
ACATTTAACCCTCACAAGAGGATTGAAGTTGAACAGGCTCTGGCCCACCC
ATACCTGGAGCAGTATTATGACCCAAGTGATGAGCCCATTGCTGAAGCGC
CATTCAAGTTTGACATGGAGTTGGACGACTTACCTAAGGAGAAGCTCAAA
GAACTCATTTTTGAAGAGACTGCTAGATTCCAGCCAGGATACAGATCTTA A
Example 2
Amino Acid Sequence of Ah.sub.6-ERK2
[0080] The amino terminal methionine of this ERK2 construct
expressed in E. coli BL21-DE3 cells is processed after
translation.
TABLE-US-00004 (SEQ ID NO: 5) 1 AHHHHHHMAA AAAAGPEMVR GQVFDVGPRY
TNLSYIGEGA YGMVCSAYDN LNKVRVAIKK 61 ISPFEHQTYC QRTLREIKIL
LRFRHENIIG INDIIRAPTI EQMKDVYIVQ DLMETDLYKL 121 LKTQHLSNDH
ICYFLYQILR GLKYIHSANV LHRDLKPSNL LLNTTCDLKI CDFGLARVAD 181
PDHDHTGFLT EYVATRWYRA REIMLNSKGY TKSIDIWSVG CILAEMLSNR PIFPGKHYLD
241 QLNHILGILG SPSQEDLNCI INLKARNYLL SLPHKNKVPW NRLFPNADSK
ALDLLDKMLT 301 FNPHKRIEVE QALAHPYLEQ YYDPSDEPIA EAPFKFDMEL
DDLPKEKLKE LIFEETARFQ 361 PGYRS Number of amino acids: 365
Molecular weight: 42169.5
Example 3
Expression of Ah.sub.6-ERK2 Construct
[0081] A 250 milliliter starter culture of BL-21(DE3) cells
containing the pNpT7-5 plasmid was grown to an OD.sub.600 of 0.8 at
37.degree. C. in Miller's LB broth (Mediatech, Inc.) with 100 ug/ml
carbenicillin. The 250 milliliter culture was stored at 4.degree.
C. overnight for inoculation of 10.times.1 liter of terrific broth
(Mediatech, Inc.) with 100 ug/ml carbenicillin in 2 liter baffled
flasks. The cultures were grown to a OD of 1.8 at 37.degree. C.,
and the temperature was then lowered to 23.degree. C. prior to
induction with 1 mM IPTG. Cells were harvested 18 hours after
induction by centrifugation at 2700.times.g for 10 minutes.
Example 4
Purification of Ah.sub.6-ERK2 Construct
[0082] The cell pellet from 2.25 L of cell culture was suspended in
230 ml of Lysis Buffer, passed 3 times through an Omni-Mixer and
then 3 times through a Microfluidizer. All purification steps were
carried out at 4.degree. C., or on ice. Lysis Buffer: 0.05 M sodium
phosphate, pH 8.0, 0.3 M NaCl, 10 mM mercaptoethanol, 11,000
U/liter benzonase (endonuclease), and 5 ml/liter of Calbiochem
Protease Inhibitor Cocktail Set III (final concentrations: 500
.mu.M AEBSF, 25 .mu.M Bestatin, 0.4 .mu.M aprotinin, 7.5 .mu.M
E-64, 10 .mu.M leupeptin and 5 .mu.M pepstatin A with 0.5%
DMSO).
[0083] The cell lysate was centrifuged at of 200,000.times.g (TI-45
rotor at 42,000 rpm) for 1 hour at 4 C. The supernatant was applied
to a 1.6.times.8 cm column (16 ml) of Qiagen Ni-NTA superflow
agarose, at 3.6 ml/minute. The column had been equilibrated with
Ni-NTA Buffer.
Ni-NTA Buffer: Lysis Buffer without Protease Inhibitors or
Endonuclease.
[0084] The column was washed first with Ni-NTA Buffer, then with
Ni-NTA Buffer, pH 7.5, 25 mM imidazole, followed by of Ni-NTA
Buffer, pH 7.5, 25 mM imidazole, 1 M NaCl and then with Ni-NTA
Buffer, pH 7.5, 45 mM imidazole. The column was then eluted with
Ni-NTA Buffer, pH 7.5, with 250 mM imidazole.
[0085] The eluted pool was diluted to 1 mg/ml of protein with
Ni-NTA Buffer, and then dialyzed versus 3 changes of 32 volumes of
MonoQ Buffer (25 mM Tris-Cl, pH 7.8.sub.(rt), 0.05 M NaCl, 10%
(v/v) glycerol, 1 mM EDTA and 5 mM DTT).
[0086] The dialyzed pool was then centrifuged for 1 hour as
described above, and then applied to a MonoQ HR 16/10 column
(Amersham/Pharmacia), at 1 ml/minute. The column was washed with 1
bed volume of MonoQ Buffer and then eluted with a linear 30 bed
volume gradient between MonoQ Buffer and MonoQ Buffer with 0.5 M
NaCl. Eluted peak 1 (at .about.0.18 M NaCl) was pooled, diluted
with MonoQ Buffers to a final protein concentration of 1 mg/ml (by
OD.sub.276) and NaCl concentration of 0.26 M, and frozen in
aliquots at -80.degree. C. The yield of pure unphosphorylated
ERK2=28 mg/liter. The protein concentration was determined using
E.sub.276=43,750 M.sup.-1 cm.sup.-1 in 20 mM sodium phosphate, pH
6.5, 6 M guanidine hydrochloride (ExPASy-ProtParam Tool). These
values were correlated with the protein concentrations of the
purified protein measured by the Bradford dye binding method
(BIORAD), using BSA as a standard.
Example 5
Crystallization of Ah.sub.6-ERK2 Un-Phosphorylated Construct (Form
1)
[0087] The Ah.sub.6-ERK2 un-phosphorylated construct was
crystallized using a hanging-drop vapor diffusion method. The
protein (0.5 .mu.l; 11 mg/ml) in 20 mM Tris-HCl, pH 7.5, 0.20 M
sodium chloride, 0.03% sodium azide, 5 mM DTT buffer was mixed with
an equal volume of precipitant solution containing 100 mM MES, pH
6.4, 4% PEG 400, and 2.4 M ammonium sulfate placed on the underside
of a siliconized glass coverslip and sealed in close proximity to 1
ml of the precipitant solution. Crystallization plates were
incubated at 4.degree. C.; crystals grew over 2-30 days.
Example 6
Photomicrograph of Ah.sub.6-ERK2 Un-Phosphorylated Crystals (Form
1)
[0088] A photomicrograph of the Ah.sub.6-ERK2 un-phosphorylated
crystals (form 1) was taken. Rectangular rod crystals
(0.02.times.0.2 mm) were observed.
Example 7
Crystallization of Ah.sub.6-ERK2 Un-Phosphorylated Construct (Form
2)
[0089] The Ah.sub.6-ERK2 un-phosphorylated construct was be
crystallized using a hanging-drop vapor diffusion method. The
protein (0.5 .mu.l; 11 mg/ml) in 20 mM Tris-HCl, pH 7.5, 0.20 M
sodium chloride, 0.03% sodium azide, 5 mM DTT buffer was mixed with
an equal volume of precipitant solution containing 100 mM MES, pH
6.4, 4% PEG 400, and 2.4 M ammonium sulfate placed on the underside
of a siliconized glass coverslip and sealed in close proximity to 1
ml of the precipitant solution. Crystallization plates were
incubated at 22.degree. C.; crystals grew over 2-30 days.
Example 8
Photomicrograph of Ah.sub.6-ERK2 Un-Phosphorylated Crystals (Form
2)
[0090] A photomicrograph of the Ah.sub.6-ERK2 un-phosphorylated
crystals (form 2) was taken. Rectangular rod crystals
(0.02.times.0.2 mm) were observed.
Example 9
Crystallographic Analysis of Ah.sub.6-ERK2 [Un-Phosphorylated] Form
1
[0091] Prior to data collection, crystals were washed with the
reservoir solution of the crystallization setup and transferred
into the same solution with 25% glycerol added. The crystals were
then flash-cooled in a nitrogen stream at 95 K or in liquid
nitrogen. X-ray diffraction was collected using a Rigaku generator
equipped with a Raxis 4 detector. Data were integrated and scaled
using the HKL package.
Data Collection Statistics:
TABLE-US-00005 [0092] Resolution 30.0-1.50 .ANG. No. of collected
reflections 435438 No. of unique reflections (F >= 0) 65681
R-sym 6.1% Percent of theoretical (l/s >= 1) 98.1% Unit Cell a =
70.611 .ANG., b = 92.158 .ANG., c = 63.735 .ANG., .alpha. = .beta.
= .gamma. = 90.degree. Space Group P2.sub.12.sub.12 (Number 18)
Asymmetric unit 1 molecule
TABLE-US-00006 TABLE 1 Structural Coordinates of crystalline
Ah.sub.6-ERK2 [un-phosphorlylated] form 1. The following table
contains one line for each atom in one ERK2 kinase monomer. The
columns are: 1) residue number, 2) l-letter amino acid code, 3)
atom name, 4) x-coordinate, 5) y-coordinate, 6) z-coordinate, 7)
B-factor, 8) Chain ID. The coordinates are arranged in two
side-by-side columns. 6 A CB 40.4 17.5 -21.9 56 A 6 A C 39.7 16.8
-19.6 56 A 6 A O 39.2 17.9 -19.2 56 A 6 A N 41.2 15.4 -20.9 57 A 6
A CA 40.8 16.8 -20.6 56 A 7 A N 39.2 15.7 -19.2 55 A 7 A CA 38.1
15.5 -18.2 54 A 7 A CB 38.2 14.2 -17.5 54 A 7 A C 38.1 16.6 -17.2
53 A 7 A O 37.5 17.7 -17.4 53 A 8 G N 38.8 16.4 -16.0 52 A 8 G CA
38.8 17.4 -15.0 51 A 8 G C 39.4 16.8 -13.7 50 A 8 G O 40.0 15.7
-13.7 49 A 9 P N 39.4 17.5 -12.6 49 A 9 P CD 38.8 18.9 -12.5 49 A 9
P CA 40.0 17.1 -11.3 49 A 9 P CB 40.0 18.4 -10.5 49 A 9 P CG 38.8
19.1 -11.0 49 A 9 P C 39.2 16.0 -10.6 49 A 9 P O 38.0 15.9 -10.8 49
A 10 E N 39.8 15.2 -9.8 48 A 10 E CA 39.2 14.1 -9.1 49 A 10 E CB
40.2 13.1 -8.5 50 A 10 E CG 41.0 12.4 -9.6 51 A 10 E CD 41.9 11.4
-9.0 52 A 10 E OE1 41.5 10.4 -8.3 52 A 10 E OE2 43.2 11.5 -9.2 53 A
10 E C 38.4 14.7 -8.0 48 A 10 E O 38.8 15.8 -7.4 48 A 11 M N 37.3
14.1 -7.6 46 A 11 M CA 36.4 14.6 -6.5 45 A 11 M CB 35.0 14.9 -7.1
43 A 11 M CG 35.0 15.8 -8.3 41 A 11 M SD 35.5 17.5 -8.0 39 A 11 M
CE 34.1 18.2 -7.2 39 A 11 M C 36.3 13.6 -5.4 46 A 11 M O 36.5 12.4
-5.5 46 A 12 V N 36.0 14.2 -4.2 46 A 12 V CA 35.9 13.4 -3.0 46 A 12
V CB 37.2 13.3 -2.1 45 A 12 V CG1 37.0 12.6 -0.8 44 A 12 V CG2 38.3
12.7 -3.0 44 A 12 V C 34.8 14.0 -2.1 47 A 12 V O 34.9 15.1 -1.5 47
A 13 R N 33.6 13.3 -2.0 49 A 13 R CA 32.5 13.8 -1.3 50 A 13 R CB
32.9 13.9 0.2 52 A 13 R CG 32.8 12.6 1.0 56 A 13 R CD 33.7 11.5 0.3
61 A 13 R NE 33.7 10.2 1.0 64 A 13 R CZ 34.3 9.2 0.6 65 A 13 R NH1
35.1 9.2 -0.4 66 A 13 R NH2 34.2 8.0 1.3 65 A 13 R C 32.0 15.2 -1.8
50 A 13 R O 31.7 16.1 -1.0 50 A 14 G N 32.0 15.3 -3.1 50 A 14 G CA
31.5 16.5 -3.7 49 A 14 G C 32.5 17.7 -3.7 49 A 14 G O 32.2 18.8
-4.1 48 A 15 Q N 33.7 17.4 -3.1 48 A 15 Q CA 34.7 18.4 -3.1 47 A 15
Q CB 35.2 18.6 -1.6 49 A 15 Q CG 34.1 19.0 -0.7 52 A 15 Q CD 34.6
19.3 0.8 54 A 15 Q OE1 35.1 18.4 1.4 55 A 15 Q NE2 34.4 20.5 1.2 54
A 15 Q C 35.9 18.0 -3.9 45 A 15 Q O 36.2 16.9 -4.2 45 A 16 V N 36.6
19.1 -4.5 43 A 16 V CA 37.8 18.9 -5.3 40 A 16 V CB 38.1 20.1 -6.1
40 A 16 V CG1 39.4 19.9 -6.9 39 A 16 V CG2 36.9 20.5 -7.0 39 A 16 V
C 39.0 18.4 -4.6 40 A 16 V O 39.4 19.0 -3.5 40 A 17 F N 39.7 17.4
-5.1 39 A 17 F CA 40.9 16.8 -4.5 39 A 17 F CB 40.6 15.6 -3.7 38 A
17 F CG 41.6 15.3 -2.6 38 A 17 F CD1 41.6 16.1 -1.4 37 A 17 F CD2
42.6 14.3 -2.7 37 A 17 F CE1 42.5 15.9 -0.4 37 A 17 F CE2 43.5 14.1
-1.7 38 A 17 F CZ 43.5 14.9 -0.6 37 A 17 F C 41.8 16.5 -5.7 40 A 17
F O 42.0 15.3 -6.0 40 A 18 D N 42.2 17.5 -6.4 41 A 18 D CA 43.0
17.4 -7.6 42 A 18 D CB 42.9 18.7 -8.4 43 A 18 D CG 43.6 18.6 -9.8
43 A 18 D OD1 43.4 17.5 -10.4 44 A 18 D OD2 44.3 19.6 -10.1 46 A 18
D C 44.5 17.1 -7.3 42 A 18 D O 45.3 18.0 -7.2 42 A 19 V N 44.8 15.8
-7.1 43 A 19 V CA 46.2 15.4 -6.8 44 A 19 V CB 46.3 14.6 -5.5 43 A
19 V CG1 45.7 15.4 -4.3 43 A 19 V CG2 45.4 13.3 -5.7 43 A 19 V C
46.8 14.6 -7.9 45 A 19 V O 48.0 14.5 -8.0 44 A 20 G N 45.9 14.0
-8.7 46 A 20 G CA 46.4 13.2 -9.8 46 A 20 G C 47.4 13.8 -10.7 47 A
20 G O 47.7 15.0 -10.5 47 A 21 P N 48.1 13.1 -11.6 48 A 21 P CD
48.7 13.7 -12.8 48 A 21 P CA 47.8 11.7 -11.9 48 A 21 P CB 48.1 11.5
-13.4 48 A 21 P CG 48.1 13.0 -13.9 48 A 21 P C 48.6 10.7 -11.0 49 A
21 P O 48.2 9.6 -10.8 49 A 22 R N 49.8 11.2 -10.6 49 A 22 R CA 50.7
10.4 -9.8 50 A 22 R CB 51.9 11.3 -9.3 51 A 22 R CG 52.9 10.6 -8.4
53 A 22 R CD 54.0 11.6 -8.0 54 A 22 R NE 54.9 11.0 -7.0 56 A 22 R
CZ 55.9 11.6 -6.5 56 A 22 R NH1 56.1 12.9 -6.7 57 A 22 R NH2 56.7
11.0 -5.6 56 A 22 R C 50.0 9.8 -8.5 49 A 22 R O 50.5 8.8 -8.0 50 A
23 Y N 49.0 10.4 -8.1 48 A 23 Y CA 48.3 9.9 -6.9 48 A 23 Y CB 48.4
11.0 -5.8 46 A 23 Y CG 49.8 11.4 -5.4 44 A 23 Y CD1 50.7 10.5 -4.8
42 A 23 Y CE1 52.0 10.9 -4.5 42 A 23 Y CD2 50.2 12.7 -5.8 43 A 23 Y
CE2 51.5 13.1 -5.5 41 A 23 Y CZ 52.4 12.2 -4.9 41 A 23 Y OH 53.7
12.6 -4.6 40 A 23 Y C 46.8 9.6 -7.2 49 A 23 Y O 46.0 10.5 -7.5 49 A
24 T N 46.5 8.3 -7.1 50 A 24 T CA 45.1 7.9 -7.3 50 A 24 T CB 45.0
7.0 -8.6 50 A 24 T OG1 45.9 5.9 -8.5 51 A 24 T CG2 45.4 7.9 -9.8 50
A 24 T C 44.6 7.0 -6.2 51 A 24 T O 45.2 6.8 -5.2 51 A 25 N N 43.3
6.5 -6.3 52 A 25 N CA 42.7 5.7 -5.3 53 A 25 N CB 43.5 4.4 -5.0 53 A
25 N CG 43.8 3.6 -6.3 54 A 25 N OD1 44.3 4.1 -7.3 54 A 25 N ND2
43.3 2.3 -6.2 54 A 25 N C 42.5 6.5 -4.0 53 A 25 N O 42.8 6.0 -2.9
53 A 26 L N 42.0 7.7 -4.2 53 A 26 L CA 41.7 8.5 -3.0 53 A 26 L CB
41.2 9.9 -3.5 52 A 26 L CG 42.0 10.7 -4.4 52 A 26 L CD1 41.3 12.0
-4.8 51 A 26 L CD2 43.4 11.0 -3.8 51 A 26 L C 40.7 7.9 -2.0 53 A 26
L O 39.8 7.2 -2.5 53 A 27 S N 41.0 8.1 -0.7 53 A 27 S CA 40.1 7.6
0.3 53 A 27 S CB 40.7 6.2 0.8 53 A 27 S OG 39.8 5.7 1.8 53 A 27 S C
40.0 8.6 1.4 54 A 27 S O 40.9 8.8 2.1 54 A 28 Y N 38.8 9.1 1.6 54 A
28 Y CA 38.5 10.0 2.7 55 A 28 Y CB 37.0 10.3 2.8 55 A 28 Y CG 36.6
11.5 3.7 56 A 28 Y CD1 37.1 12.8 3.5 56 A 28 Y CE1 36.7 13.8 4.3 56
A 28 Y CD2 35.9 11.2 4.9 56 A 28 Y CE2 35.6 12.3 5.8 56 A 28 Y CZ
36.0 13.5 5.5 56 A 28 Y OH 35.7 14.6 6.3 57 A 28 Y C 39.0 9.5 4.1
55 A 28 Y O 38.9 8.4 4.4 55 A 29 I N 39.5 10.5 4.9 56 A 29 I CA
40.0 10.1 6.2 56 A 29 I CB 41.6 10.2 6.2 56 A 29 I CG2 42.0 9.9 7.7
55 A 29 I CG1 42.1 9.1 5.3 55 A 29 I CD1 43.6 9.1 5.3 55 A 29 I C
39.5 11.1 7.2 57 A 29 I O 39.1 10.7 8.3 57 A 30 G N 39.5 12.4 6.9
59 A 30 G CA 39.0 13.4 7.8 61 A 30 G C 39.0 14.8 7.2 62 A 30 G O
39.4 14.9 6.1 62 A 31 E N 38.6 15.8 8.0 63 A 31 E CA 38.6 17.2 7.5
64 A 31 E CB 37.3 17.5 6.9 65 A 31 E CG 37.3 18.6 5.9 68 A 31 E CD
35.9 19.0 5.4 69 A 31 E OE1 35.2 18.1 4.8 70 A 31 E OE2 35.5 20.2
5.5 70 A 31 E C 39.0 18.1 8.6 65 A 31 E O 39.5 17.7 9.7 65 A 32 G N
38.7 19.4 8.4 64 A 32 G CA 38.9 20.4 9.4 64 A 32 G C 38.6 21.8 8.9
64 A 32 G O 38.1 22.0 7.8 63 A 36 M N 40.8 19.1 4.4 49 A 36 M CA
40.4 17.7 4.2 48 A 36 M CB 39.5 17.7 3.0 49 A 36 M CG 39.1 16.2 2.6
50 A 36 M SD 37.8 16.2 1.4 50 A 36 M CE 38.6 16.6 -0.1 50 A 36 M C
41.6 16.8 4.0 48 A 36 M O 42.6 17.2 3.2 49 A 37 V N 41.6 15.7 4.6
48 A 37 V CA 42.7 14.7 4.5 48 A 37 V CB 43.3 14.4 5.8 47 A 37 V CG1
44.5 13.4 5.7 47 A 37 V CG2 43.8 15.7 6.5 47 A 37 V C 42.2 13.4 3.8
48 A 37 V O 41.2 12.9 4.2 48 A 38 C N 43.0 12.9 2.9 48 A 38 C CA
42.6 11.7 2.2 48 A 38 C CB 41.9 11.9 0.9 48 A 38 C SG 40.4 12.9 1.0
47 A 38 C C 43.9 10.8 1.9 48 A 38 C O 45.0 11.4 1.8 48 A 39 S N
43.7 9.5 1.9 47 A 39 S CA 44.9 8.6 1.6 47 A 39 S CB 44.8 7.4 2.4 47
A 39 S OG 43.5 6.7 2.2 46 A 39 S C 44.8 8.3 0.1 47 A 39 S O 43.8
8.2 -0.5 48 A 40 A N 46.0 8.1 -0.5 48 A 40 A CA 46.1 7.8 -1.9 48 A
40 A CB 46.3 9.1 -2.7 48 A 40 A C 47.3 6.9 -2.2 49 A 40 A O 48.0
6.5 -1.3 49 A 41 Y N 47.4 6.5 -3.4 51 A 41 Y CA 48.5 5.6 -3.8 52 A
41 Y CB 47.9 4.4 -4.6 53 A 41 Y CG 48.9 3.4 -5.0 53 A 41 Y CD1 49.6
2.6 -4.1 54 A
41 Y CE1 50.6 1.7 -4.5 54 A 41 Y CD2 49.2 3.1 -6.4 54 A 41 Y CE2
50.2 2.2 -6.8 54 A 41 Y CZ 50.9 1.5 -5.8 54 A 41 Y OH 51.8 0.6 -6.2
54 A 41 Y C 49.5 6.3 -4.7 53 A 41 Y O 49.2 6.8 -5.8 53 A 42 D N
50.7 6.3 -4.2 53 A 42 D CA 51.8 7.0 -4.9 53 A 42 D CB 53.0 7.2 -3.9
53 A 42 D CG 54.1 8.0 -4.5 53 A 42 D OD1 54.6 7.6 -5.6 53 A 42 D
OD2 54.5 9.1 -4.0 53 A 42 D C 52.2 6.2 -6.0 54 A 42 D O 53.1 5.3
-5.9 54 A 43 N N 51.6 6.4 -7.2 54 A 43 N CA 51.9 5.6 -8.4 54 A 43 N
CB 51.1 6.2 -9.6 55 A 43 N CG 49.6 6.1 -9.4 56 A 43 N OD1 49.1 5.0
-9.2 57 A 43 N ND2 48.9 7.2 -9.5 57 A 43 N C 53.4 5.6 -8.7 54 A 43
N O 53.9 4.7 -9.5 54 A 44 L N 54.2 6.6 -8.2 53 A 44 L CA 55.6 6.7
-8.5 53 A 44 L CB 56.1 8.1 -8.2 54 A 44 L CG 57.5 8.4 -8.7 53 A 44
L CD1 57.8 9.9 -8.5 53 A 44 L CD2 58.6 7.6 -8.0 54 A 44 L C 56.3
5.7 -7.6 53 A 44 L O 56.4 5.8 -6.4 52 A 46 K N 55.1 3.5 -5.6 51 A
46 K CA 54.5 2.1 -5.4 51 A 46 K CB 55.5 1.1 -6.0 51 A 46 K CG 56.8
0.9 -5.2 50 A 46 K CD 57.7 2.0 -5.2 49 A 46 K CE 57.5 3.1 -4.1 49 A
46 K NZ 58.4 4.3 -4.3 49 A 46 K C 54.2 1.9 -4.0 51 A 46 K O 54.4
0.7 -3.5 51 A 47 V N 53.7 2.9 -3.3 51 A 47 V CA 53.3 2.7 -1.9 51 A
47 V CB 54.6 2.9 -1.0 51 A 47 V CG1 55.2 4.3 -1.2 51 A 47 V CG2
54.2 2.7 0.5 51 A 47 V C 52.3 3.8 -1.5 50 A 47 V O 52.4 4.9 -2.0 51
A 48 R N 51.3 3.4 -0.7 50 A 48 R CA 50.3 4.4 -0.3 49 A 48 R CB 49.2
3.6 0.4 51 A 48 R CG 48.4 2.6 -0.4 55 A 48 R CD 47.0 2.4 0.2 58 A
48 R NE 46.2 3.6 0.1 61 A 48 R CZ 45.0 3.7 0.7 62 A 48 R NH1 44.5
2.8 1.5 63 A 48 R NH2 44.4 4.9 0.6 62 A 48 R C 50.8 5.5 0.6 47 A 48
R O 51.7 5.2 1.4 47 A 49 V N 50.3 6.7 0.4 44 A 49 V CA 50.7 7.8 1.2
41 A 49 V CB 51.6 8.8 0.3 40 A 49 V CG1 52.9 8.1 -0.1 40 A 49 V CG2
50.8 9.3 -0.9 40 A 49 V C 49.5 8.6 1.7 39 A 49 V O 48.4 8.2 1.4 38
A 50 A N 49.8 9.7 2.4 37 A 50 A CA 48.8 10.5 3.0 35 A 50 A CB 48.9
10.6 4.5 35 A 50 A C 48.9 11.9 2.3 35 A 50 A O 50.0 12.5 2.2 34 A
51 I N 47.7 12.4 1.9 34 A 51 I CA 47.7 13.7 1.2 34 A 51 I CB 47.3
13.6 -0.3 33 A 51 I CG2 47.4 15.0 -0.9 33 A 51 I CG1 48.2 12.7 -1.0
33 A 51 I CD1 47.9 12.4 -2.4 32 A 51 I C 46.8 14.7 1.9 33 A 51 I O
45.6 14.3 2.2 34 A 52 K N 47.2 15.8 2.3 33 A 52 K CA 46.4 16.8 3.0
34 A 52 K CB 47.1 17.3 4.3 37 A 52 K CG 46.4 18.3 5.1 40 A 52 K CD
47.3 19.0 6.1 44 A 52 K CE 47.8 18.0 7.1 46 A 52 K NZ 48.8 18.6 8.0
48 A 52 K C 46.2 18.1 2.1 33 A 52 K O 47.1 18.7 1.7 32 A 53 K N
44.9 18.4 1.9 31 A 53 K CA 44.5 19.5 1.1 31 A 53 K CB 43.2 19.2 0.3
32 A 53 K CG 42.7 20.5 -0.5 33 A 53 K CD 41.4 20.2 -1.1 35 A 53 K
CE 40.8 21.5 -1.8 36 A 53 K NZ 39.5 21.4 -2.3 37 A 53 K C 44.3 20.7
2.0 30 A 53 K O 43.5 20.6 2.9 32 A 54 I N 44.9 21.8 1.7 29 A 54 I
CA 44.8 23.0 2.5 28 A 54 I CB 46.2 23.4 3.2 28 A 54 I CG2 46.0 24.6
4.1 29 A 54 I CG1 46.7 22.2 3.9 27 A 54 I CD1 48.1 22.4 4.5 29 A 54
I C 44.3 24.2 1.7 28 A 54 I O 44.9 24.6 0.6 27 A 55 S N 43.3 24.9
2.2 28 A 55 S CA 42.7 26.1 1.6 29 A 55 S CB 41.3 25.8 1.1 29 A 55 S
OG 41.2 24.5 0.4 30 A 55 S C 42.7 27.2 2.6 30 A 55 S O 41.7 27.4
3.3 31 A 56 P N 43.8 27.9 2.8 29 A 56 P CD 45.2 27.5 2.4 29 A 56 P
CA 43.9 29.0 3.8 29 A 56 P CB 45.2 28.6 4.5 29 A 56 P CG 46.1 28.3
3.3 29 A 56 P C 44.0 30.5 3.3 29 A 56 P O 44.0 31.4 4.1 28 A 57 F N
44.1 30.7 2.0 30 A 57 F CA 44.3 32.0 1.4 30 A 57 F CB 44.5 31.9
-0.1 27 A 57 F CG 45.7 31.0 -0.4 23 A 57 F CD1 47.0 31.3 0.1 22 A
57 F CD2 45.6 29.9 -1.1 21 A 57 F CE1 48.1 30.5 -0.1 21 A 57 F CE2
46.7 29.0 -1.4 23 A 57 F CZ 47.9 29.3 -0.9 21 A 57 F C 43.2 33.1
1.7 33 A 57 F O 43.3 34.2 1.3 32 A 58 E N 42.1 32.7 2.3 36 A 58 E
CA 41.0 33.6 2.6 39 A 58 E CB 39.7 32.8 2.5 42 A 58 E CG 39.4 32.3
1.1 47 A 58 E CD 38.5 31.1 1.0 50 A 58 E OE1 37.3 31.2 1.5 53 A 58
E OE2 38.9 30.1 0.5 53 A 58 E C 41.1 34.2 4.0 40 A 58 E O 40.3 35.1
4.3 39 A 59 H N 42.1 33.8 4.8 40 A 59 H CA 42.3 34.4 6.1 40 A 59 H
CB 41.5 33.5 7.2 41 A 59 H CG 40.1 33.4 6.9 42 A 59 H CD2 39.3 32.3
6.5 42 A 59 H ND1 39.2 34.4 7.0 43 A 59 H CE1 38.0 34.0 6.7 43 A 59
H NE2 38.0 32.7 6.4 43 A 59 H C 43.8 34.5 6.5 40 A 59 H O 44.5 33.5
6.3 39 A 60 Q N 44.2 35.6 7.0 39 A 60 Q CA 45.6 35.8 7.4 39 A 60 Q
CB 45.7 37.3 7.9 40 A 60 Q CG 47.2 37.6 8.3 43 A 60 Q CD 47.4 38.6
9.4 44 A 60 Q OE1 46.9 38.4 10.5 45 A 60 Q NE2 48.0 39.7 9.1 45 A
60 Q C 46.1 34.8 8.4 38 A 60 Q O 47.2 34.4 8.3 36 A 61 T N 45.2
34.5 9.4 36 A 61 T CA 45.6 33.6 10.4 36 A 61 T CB 44.5 33.4 11.4 36
A 61 T OG1 43.3 33.0 10.7 38 A 61 T CG2 44.2 34.7 12.2 36 A 61 T C
46.0 32.2 9.8 35 A 61 T O 47.0 31.6 10.2 34 A 62 Y N 45.2 31.7 8.9
34 A 62 Y CA 45.4 30.4 8.3 34 A 62 Y CB 44.2 30.0 7.4 37 A 62 Y CG
43.0 29.7 8.2 41 A 62 Y CD1 43.0 28.9 9.3 43 A 62 Y CE1 41.8 28.6
10.0 45 A 62 Y CD2 41.8 30.2 7.8 43 A 62 Y CE2 40.6 29.9 8.5 45 A
62 Y CZ 40.6 29.1 9.6 45 A 62 Y OH 39.5 28.8 10.3 47 A 62 Y C 46.7
30.5 7.4 32 A 62 Y O 47.4 29.5 7.4 30 A 63 C N 46.9 31.6 6.8 29 A
63 C CA 48.1 31.8 6.0 28 A 63 C CB 48.0 33.1 5.2 28 A 63 C SG 46.8
33.1 3.8 27 A 63 C C 49.4 31.7 6.8 28 A 63 C O 50.4 31.2 6.4 27 A
64 Q N 49.3 32.4 8.0 27 A 64 Q CA 50.5 32.4 8.9 26 A 64 Q CB 50.2
33.3 10.1 27 A 64 Q CG 50.0 34.8 9.7 30 A 64 Q CD 49.8 35.6 10.9 31
A 64 Q OE1 48.9 35.4 11.7 34 A 64 Q NE2 50.6 36.7 11.1 34 A 64 Q C
50.8 31.0 9.3 25 A 64 Q O 52.0 30.6 9.4 24 A 65 R N 49.8 30.2 9.7
24 A 65 R CA 50.0 28.9 10.2 25 A 65 R CB 48.6 28.3 10.7 26 A 65 R
CG 47.9 29.2 11.7 30 A 65 R CD 48.7 29.3 13.0 32 A 65 R NE 47.9
30.0 14.1 33 A 65 R CZ 48.4 30.3 15.3 34 A 65 R NH1 49.6 30.0 15.6
34 A 65 R NH2 47.6 30.9 16.1 33 A 65 R C 50.5 28.0 9.1 24 A 65 R O
51.4 27.2 9.4 22 A 66 T N 50.0 28.1 7.9 23 A 66 T CA 50.4 27.2 6.8
23 A 66 T CB 49.5 27.5 5.5 23 A 66 T OG1 48.2 27.2 5.8 22 A 66 T
CG2 50.0 26.7 4.3 22 A 66 T C 51.9 27.5 6.4 21 A 66 T O 52.6 26.6
6.2 22 A 67 L N 52.2 28.8 6.4 21 A 67 L CA 53.6 29.1 6.1 21 A 67 L
CB 53.8 30.7 6.0 22 A 67 L CG 55.1 31.2 5.6 22 A 67 L CD1 55.6 30.6
4.3 22 A 67 L CD2 55.0 32.7 5.4 23 A 67 L C 54.6 28.6 7.1 21 A 67 L
O 55.6 28.0 6.8 19 A 68 R N 54.2 28.7 8.4 22 A 68 R CA 55.1 28.2
9.5 21 A 68 R CB 54.5 28.6 10.9 21 A 68 R CG 54.5 30.0 11.2 22 A 68
R CD 54.7 30.3 12.7 21 A 68 R NE 54.5 31.7 13.0 22 A 68 R CZ 53.3
32.3 13.2 21 A 68 R NH1 52.2 31.5 13.0 22 A 68 R NH2 53.2 33.6 13.4
23 A 68 R C 55.3 26.7 9.4 20 A 68 R O 56.5 26.3 9.5 20 A 69 E N
54.3 25.9 9.2 18 A 69 E CA 54.4 24.5 9.1 20 A 69 E CB 53.1 23.8 9.0
21 A 69 E CG 53.3 22.3 8.9 25 A 69 E CD 52.0 21.5 9.0 27 A 69 E OE1
51.0 21.7 8.2 30 A 69 E OE2 51.9 20.6 9.9 25 A 69 E C 55.3 24.1 7.9
20 A 69 E O 56.2 23.2 8.0 19 A 70 I N 55.1 24.7 6.8 19 A 70 I CA
55.8 24.4 5.6 19 A 70 I CB 55.3 25.1 4.3 18 A 70 I CG2 56.3 24.9
3.2 20 A 70 I CG1 53.9 24.6 4.0 19 A 70 I CD1 53.2 25.2 2.8 19 A 70
I C 57.3 24.7 5.8 18 A 70 I O 58.2 23.8 5.6 18 A 71 K N 57.6 25.9
6.2 18 A 71 K CA 59.0 26.3 6.4 19 A 71 K CB 59.1 27.8 7.0 20 A 71 K
CG 58.5 28.8 6.0 25 A 71 K CD 58.8 30.2 6.5 26 A 71 K CE 60.2 30.5
6.5 27 A 71 K NZ 60.5 31.9 7.0 29 A
71 K C 59.7 25.4 7.4 19 A 71 K O 60.8 25.0 7.2 19 A 72 I N 59.0
25.1 8.5 17 A 72 I CA 59.6 24.3 9.6 17 A 72 I CB 58.7 24.3 10.9 16
A 72 I CG2 59.2 23.1 11.8 16 A 72 I CG1 58.8 25.6 11.6 17 A 72 I
CD1 57.8 25.9 12.7 18 A 72 I C 59.8 22.8 9.1 17 A 72 I O 60.9 22.3
9.3 18 A 73 L N 58.8 22.2 8.6 17 A 73 L CA 59.0 20.8 8.1 17 A 73 L
CB 57.6 20.2 7.8 18 A 73 L CG 56.7 19.9 9.0 19 A 73 L CD1 55.4 19.2
8.6 22 A 73 L CD2 57.4 19.1 10.1 20 A 73 L C 59.9 20.6 7.0 19 A 73
L O 60.5 19.5 6.9 19 A 74 L N 60.1 21.6 6.1 20 A 74 L CA 61.0 21.5
5.0 21 A 74 L CB 60.7 22.5 3.9 20 A 74 L CG 59.5 22.3 3.1 21 A 74 L
CD1 59.4 23.4 2.0 22 A 74 L CD2 59.6 20.9 2.4 22 A 74 L C 62.5 21.6
5.5 21 A 74 L O 63.4 21.0 4.9 22 A 75 R N 62.7 22.2 6.6 20 A 75 R
CA 64.0 22.4 7.2 20 A 75 R CB 64.2 23.7 7.9 22 A 75 R CG 65.6 23.9
8.4 24 A 75 R CD 65.8 25.2 9.2 26 A 75 R NE 65.6 26.4 8.3 26 A 75 R
CZ 65.9 27.6 8.7 25 A 75 R NH1 66.5 27.8 9.8 26 A 75 R NH2 65.7
28.6 7.9 28 A 75 R C 64.4 21.2 8.1 20 A 75 R O 65.6 21.0 8.3 24 A
76 F N 63.4 20.5 8.6 18 A 76 F CA 63.6 19.4 9.5 17 A 76 F CB 62.4
19.2 10.5 15 A 76 F CG 62.3 20.2 11.6 15 A 76 F CD1 63.2 21.3 11.7
16 A 76 F CD2 61.3 20.1 12.5 15 A 76 F CE1 63.1 22.2 12.8 18 A 76 F
CE2 61.2 21.0 13.6 16 A 76 F CZ 62.1 22.0 13.7 16 A 76 F C 63.9
18.1 8.8 17 A 76 F O 63.3 17.8 7.8 17 A 77 R N 64.7 17.2 9.4 17 A
77 R CA 65.0 15.9 8.9 19 A 77 R CB 66.1 15.9 7.9 24 A 77 R CG 66.3
14.6 7.1 32 A 77 R CD 67.4 14.8 6.0 40 A 77 R NE 67.5 13.6 5.2 47 A
77 R CZ 68.0 12.4 5.7 50 A 77 R NH1 68.3 12.3 6.9 52 A 77 R NH2
68.1 11.4 4.8 51 A 77 R C 65.3 15.0 10.1 16 A 77 R O 66.4 15.0 10.6
18 A 78 H N 64.3 14.3 10.6 14 A 78 H CA 64.5 13.4 11.7 14 A 78 H CB
64.2 14.2 13.0 14 A 78 H CG 64.6 13.6 14.3 13 A 78 H CD2 65.7 13.7
15.1 13 A 78 H ND1 63.8 12.6 14.9 12 A 78 H CE1 64.4 12.2 16.0 13 A
78 H NE2 65.5 12.9 16.2 13 A 78 H C 63.5 12.2 11.7 13 A 78 H O 62.4
12.3 11.2 14 A 79 E N 64.0 11.1 12.1 14 A 79 E CA 63.2 9.8 12.1 15
A 79 E CB 64.0 8.6 12.7 17 A 79 E CG 65.3 8.3 12.0 20 A 79 E CD
66.0 7.1 12.5 24 A 79 E OE1 66.0 6.9 13.7 25 A 79 E OE2 66.5 6.3
11.7 27 A 79 E C 61.9 9.9 12.9 14 A 79 E O 60.9 9.2 12.5 15 A 80 N
N 61.8 10.7 13.9 13 A 80 N CA 60.6 10.8 14.7 11 A 80 N CB 60.9 10.7
16.2 12 A 80 N CG 61.7 9.5 16.6 13 A 80 N OD1 62.8 9.5 17.0 12 A 80
N ND2 61.0 8.3 16.4 13 A 80 N C 59.7 12.1 14.4 10 A 80 N O 58.9
12.5 15.3 12 A 81 I N 59.9 12.6 13.3 12 A 81 I CA 59.2 13.8 12.9 12
A 81 I CB 60.0 15.1 12.9 12 A 81 I CG2 59.2 16.3 12.4 14 A 81 I CG1
60.6 15.4 14.3 14 A 81 I CD1 61.5 16.5 14.4 15 A 81 I C 58.7 13.6
11.4 13 A 81 I O 59.4 13.2 10.5 15 A 82 I N 57.4 13.8 11.2 14 A 82
I CA 56.8 13.5 9.9 16 A 82 I CB 55.3 13.7 9.8 16 A 82 I CG2 54.9
15.2 10.0 17 A 82 I CG1 54.7 13.1 8.6 18 A 82 I CD1 54.8 11.6 8.5
20 A 82 I C 57.5 14.5 8.9 18 A 82 I O 57.7 15.6 9.2 18 A 83 G N
57.8 14.0 7.7 19 A 83 G CA 58.4 14.8 6.7 22 A 83 G C 57.4 15.2 5.6
23 A 83 G O 56.3 14.7 5.5 26 A 84 I N 57.8 16.1 4.7 23 A 84 I CA
57.0 16.6 3.6 24 A 84 I CB 57.0 18.1 3.5 24 A 84 I CG2 56.4 18.5
2.1 26 A 84 I CG1 56.1 18.7 4.6 24 A 84 I CD1 55.9 20.2 4.5 23 A 84
I C 57.7 15.9 2.4 24 A 84 I O 58.8 16.3 2.0 26 A 85 N N 57.0 15.0
1.8 26 A 85 N CA 57.5 14.3 0.6 27 A 85 N CB 56.8 12.9 0.5 29 A 85 N
CG 57.0 12.0 1.7 29 A 85 N OD1 56.4 11.0 1.8 32 A 85 N ND2 57.8
12.5 2.7 31 A 85 N C 57.3 15.0 -0.7 28 A 85 N O 58.1 14.9 -1.6 28 A
86 D N 56.3 15.8 -0.8 27 A 86 D CA 56.0 16.5 -2.0 28 A 86 D CB 55.5
15.6 -3.1 29 A 86 D CG 55.2 16.2 -4.4 30 A 86 D OD1 56.0 17.1 -4.8
30 A 86 D OD2 54.2 15.9 -5.0 33 A 86 D C 54.9 17.6 -1.7 26 A 86 D O
54.1 17.4 -0.7 24 A 87 I N 54.8 18.6 -2.5 25 A 87 I CA 53.8 19.7
-2.3 24 A 87 I CB 54.4 21.0 -1.7 24 A 87 I CG2 53.3 22.0 -1.6 24 A
87 I CG1 55.0 20.7 -0.3 24 A 87 I CD1 55.6 21.9 0.4 24 A 87 I C
53.3 20.0 -3.7 25 A 87 I O 54.0 20.3 -4.7 25 A 88 I N 51.9 19.9
-3.8 25 A 88 I CA 51.3 20.2 -5.1 25 A 88 I CB 50.3 19.0 -5.4 26 A
88 I CG2 49.7 19.2 -6.8 28 A 88 I CG1 51.1 17.7 -5.4 28 A 88 I CD1
50.2 16.5 -5.5 30 A 88 I C 50.5 21.5 -5.1 24 A 88 I O 49.7 21.8
-4.2 24 A 89 R N 50.7 22.3 -6.1 23 A 89 R CA 49.9 23.6 -6.3 21 A 89
R CB 50.4 24.6 -5.2 22 A 89 R CG 51.9 24.9 -5.1 22 A 89 R CD 52.3
25.9 -6.2 21 A 89 R NE 53.6 26.5 -5.9 20 A 89 R CZ 54.4 27.0 -6.8
22 A 89 R NH1 54.1 27.1 -8.0 21 A 89 R NH2 55.6 27.6 -6.4 22 A 89 R
C 50.1 24.1 -7.7 21 A 89 R O 51.0 23.7 -8.4 21 A 90 A N 49.2 25.0
-8.1 20 A 90 A CA 49.3 25.7 -9.4 20 A 90 A CB 48.1 26.7 -9.5 20 A
90 A C 50.6 26.3 -9.8 20 A 90 A O 51.3 26.8 -8.9 21 A 91 P N 50.9
26.4 -11.1 20 A 91 P CD 50.1 25.9 -12.2 22 A 91 P CA 52.1 27.1
-11.6 20 A 91 P CB 52.2 26.7 -13.0 21 A 91 P CG 50.7 26.6 -13.4 21
A 91 P C 52.2 28.6 -11.4 20 A 91 P O 53.3 29.2 -11.4 21 A 92 T N
51.1 29.2 -11.1 20 A 92 T CA 51.0 30.7 -10.9 20 A 92 T CB 50.4 31.4
-12.1 21 A 92 T OG1 49.0 31.1 -12.1 20 A 92 T CG2 51.0 31.0 -13.4
21 A 92 T C 50.3 31.0 -9.7 21 A 92 T O 49.4 30.3 -9.2 20 A 93 I N
50.7 32.2 -9.1 22 A 93 I CA 50.0 32.7 -7.9 23 A 93 I CB 50.7 33.9
-7.3 26 A 93 I CG2 50.6 35.1 -8.3 27 A 93 I CG1 50.1 34.3 -6.0 27 A
93 I CD1 50.9 35.4 -5.3 29 A 93 I C 48.5 32.9 -8.1 24 A 93 I O 47.7
32.6 -7.3 24 A 94 E N 48.2 33.5 -9.3 24 A 94 E CA 46.9 33.8 -9.7 23
A 94 E CB 46.8 34.4 -11.0 24 A 94 E CG 47.4 35.8 -11.1 26 A 94 E CD
48.9 35.9 -11.4 26 A 94 E OE1 49.5 34.8 -11.3 26 A 94 E OE2 49.4
36.9 -11.8 29 A 94 E C 46.0 32.5 -9.7 22 A 94 E O 44.8 32.6 -9.3 23
A 95 Q N 46.5 31.4 -10.1 20 A 95 Q CA 45.7 30.2 -10.2 20 A 95 Q CB
46.2 29.3 -11.4 19 A 95 Q CG 46.1 30.1 -12.7 20 A 95 Q CD 46.7 29.3
-13.9 22 A 95 Q OE1 45.9 28.6 -14.6 22 A 95 Q NE2 48.0 29.3 -14.0
20 A 95 Q C 45.8 29.3 -8.9 19 A 95 Q O 45.1 28.3 -8.8 20 A 96 M N
46.7 29.6 -8.0 20 A 96 M CA 46.8 28.9 -6.7 21 A 96 M CB 48.2 29.1
-6.1 21 A 96 M CG 48.4 28.4 -4.8 20 A 96 M SD 50.0 28.5 -4.1 21 A
96 M CE 50.0 30.2 -3.6 21 A 96 M C 45.7 29.2 -5.7 21 A 96 M O 45.7
30.3 -5.2 22 A 97 K N 44.8 28.2 -5.5 23 A 97 K CA 43.7 28.4 -4.6 26
A 97 K CB 42.4 28.2 -5.3 28 A 97 K CG 42.2 29.1 -6.5 32 A 97 K CD
42.4 30.6 -6.1 35 A 97 K CE 42.4 31.5 -7.4 38 A 97 K NZ 42.7 32.9
-7.1 39 A 97 K C 43.8 27.5 -3.4 25 A 97 K O 43.3 27.7 -2.3 25 A 98
D N 44.5 26.4 -3.6 26 A 98 D CA 44.8 25.3 -2.6 26 A 98 D CB 43.8
24.2 -2.8 26 A 98 D CG 42.4 24.6 -3.1 28 A 98 D OD1 42.1 24.8 -4.3
28 A 98 D OD2 41.6 24.7 -2.2 29 A 98 D C 46.2 24.8 -2.7 26 A 98 D O
46.9 25.1 -3.7 27 A 99 V N 46.6 24.1 -1.7 25 A 99 V CA 47.9 23.5
-1.6 25 A 99 V CB 48.9 24.4 -0.8 26 A 99 V CG1 50.3 23.7 -0.8 27 A
99 V CG2 49.0 25.8 -1.3 27 A 99 V C 47.8 22.1 -1.0 25 A 99 V O 47.2
21.9 0.0 26 A 100 Y N 48.5 21.1 -1.7 25 A 100 Y CA 48.4 19.8 -1.2
25 A 100 Y CB 48.0 18.8 -2.3 27 A 100 Y CG 46.7 19.1 -2.9 30 A 100
Y CD1 46.5 20.1 -3.8 31 A 100 Y CE1 45.3 20.4 -4.5 31 A 100 Y CD2
45.6 18.2 -2.7 31 A 100 Y CE2 44.3 18.5 -3.3 32 A 100 Y CZ 44.2
19.5 -4.2 33 A 100 Y OH 43.0 19.7 -4.8 34 A 100 Y C 49.8 19.3 -0.7
24 A 100 Y O 50.8 19.4 -1.3 23 A 101 I N 49.8 18.8 0.6 23 A 101 I
CA 51.0 18.3 1.2 22 A 101 I CB 51.2 18.9 2.6 22 A 101 I CG2 52.4
18.4 3.3 22 A 101 I CG1 51.2 20.4 2.6 23 A
101 I CD1 51.3 21.1 3.9 25 A 101 I C 51.0 16.8 1.3 21 A 101 I O
50.1 16.2 1.9 22 A 102 V N 52.0 16.2 0.7 22 A 102 V CA 52.2 14.7
0.7 24 A 102 V CB 52.7 14.2 -0.7 25 A 102 V CG1 52.7 12.7 -0.7 25 A
102 V CG2 51.9 14.9 -1.8 25 A 102 V C 53.1 14.3 1.8 24 A 102 V O
54.2 14.8 1.9 24 A 103 Q N 52.7 13.3 2.6 25 A 103 Q CA 53.5 12.8
3.7 26 A 103 Q CB 53.0 13.4 5.0 25 A 103 Q CG 53.0 14.9 5.0 24 A
103 Q CD 52.5 15.6 6.3 25 A 103 Q OE1 51.3 15.4 6.6 28 A 103 Q NE2
53.4 16.3 7.0 23 A 103 Q C 53.4 11.3 3.8 27 A 103 Q O 52.5 10.6 3.1
28 A 104 D N 54.2 10.6 4.6 28 A 104 D CA 54.2 9.2 4.8 29 A 104 D CB
55.4 8.7 5.7 31 A 104 D CG 56.7 8.9 5.0 32 A 104 D OD1 56.9 8.6 3.8
33 A 104 D OD2 57.7 9.2 5.8 34 A 104 D C 52.9 8.8 5.4 29 A 104 D O
52.4 9.5 6.2 29 A 105 L N 52.4 7.7 4.9 29 A 105 L CA 51.1 7.2 5.4
30 A 105 L CB 50.3 6.4 4.4 30 A 105 L CG 49.0 5.8 4.8 31 A 105 L
CD1 48.0 6.9 5.2 31 A 105 L CD2 48.4 5.0 3.7 32 A 105 L C 51.4 6.2
6.6 29 A 105 L O 52.1 5.2 6.5 30 A 106 M N 50.8 6.6 7.8 28 A 106 M
CA 51.0 5.8 9.0 28 A 106 M CB 51.4 6.7 10.2 27 A 106 M CG 52.7 7.5
10.0 25 A 106 M SD 54.2 6.5 9.9 25 A 106 M CE 54.6 6.2 11.6 25 A
106 M C 49.7 5.1 9.3 28 A 106 M O 48.6 5.6 9.0 29 A 107 E N 49.8
3.9 9.8 27 A 107 E CA 48.6 3.0 10.1 28 A 107 E CB 49.1 1.7 10.5 30
A 107 E CG 49.9 0.9 9.4 33 A 107 E CD 50.8 -0.2 9.9 36 A 107 E OE1
50.2 -1.1 10.6 38 A 107 E OE2 52.0 -0.2 9.7 36 A 107 E C 47.6 3.6
11.1 27 A 107 E O 46.4 3.4 10.9 26 A 108 T N 48.1 4.3 12.1 24 A 108
T CA 47.2 4.8 13.1 23 A 108 T CB 46.7 3.7 14.1 24 A 108 T OG1 45.6
4.2 14.9 25 A 108 T CG2 47.8 3.2 15.0 23 A 108 T C 47.8 5.9 13.9 21
A 108 T O 48.9 6.4 13.6 19 A 109 D N 47.2 6.4 15.0 21 A 109 D CA
47.8 7.4 15.9 19 A 109 D CB 47.2 8.8 15.6 19 A 109 D CG 45.7 8.9
15.8 20 A 109 D OD1 45.3 8.6 17.0 21 A 109 D OD2 45.0 9.2 14.9 24 A
109 D C 47.5 7.0 17.3 19 A 109 D O 46.7 6.0 17.6 18 A 110 L N 48.2
7.6 18.3 18 A 110 L CA 48.0 7.2 19.7 17 A 110 L CB 49.1 8.0 20.6 17
A 110 L CG 49.2 7.6 22.0 15 A 110 L CD1 49.5 6.1 22.2 17 A 110 L
CD2 50.2 8.4 22.8 18 A 110 L C 46.6 7.4 20.2 18 A 110 L O 46.2 6.7
21.1 17 A 111 Y N 45.9 8.4 19.7 19 A 111 Y CA 44.5 8.7 20.1 21 A
111 Y CB 44.0 9.9 19.4 22 A 111 Y CG 42.5 10.2 19.7 26 A 111 Y CD1
42.1 10.8 20.9 27 A 111 Y CE1 40.8 11.1 21.2 30 A 111 Y CD2 41.5
9.8 18.9 28 A 111 Y CE2 40.1 10.0 19.2 29 A 111 Y CZ 39.8 10.7 20.4
29 A 111 Y OH 38.5 10.9 20.7 32 A 111 Y C 43.7 7.4 19.8 22 A 111 Y
O 43.0 6.9 20.7 22 A 112 K N 43.7 7.0 18.6 23 A 112 K CA 42.9 5.8
18.2 24 A 112 K CB 43.1 5.6 16.7 24 A 112 K CG 42.6 6.7 15.8 28 A
112 K CD 42.5 6.2 14.3 31 A 112 K CE 42.3 7.3 13.3 33 A 112 K NZ
43.5 8.1 13.1 36 A 112 K C 43.4 4.5 18.9 24 A 112 K O 42.5 3.7 19.3
24 A 113 L N 44.7 4.3 19.1 23 A 113 L CA 45.2 3.2 19.8 23 A 113 L
CB 46.7 3.2 19.7 23 A 113 L CG 47.4 1.9 20.2 22 A 113 L CD1 47.1
0.7 19.3 24 A 113 L CD2 48.9 2.1 20.2 24 A 113 L C 44.7 3.0 21.2 23
A 113 L O 44.4 2.0 21.6 23 A 114 L N 44.7 4.2 21.9 23 A 114 L CA
44.3 4.2 23.3 24 A 114 L CB 44.7 5.5 24.0 23 A 114 L CG 46.2 5.7
24.2 22 A 114 L CD1 46.4 7.1 24.8 23 A 114 L CD2 46.7 4.6 25.1 23 A
114 L C 42.8 3.9 23.5 26 A 114 L O 42.3 3.6 24.6 27 A 115 K N 42.0
4.0 22.4 29 A 115 K CA 40.6 3.7 22.5 33 A 115 K CB 39.8 4.6 21.5 35
A 115 K CG 39.5 6.0 21.9 39 A 115 K CD 38.6 6.7 21.0 42 A 115 K CE
38.1 8.0 21.6 44 A 115 K NZ 37.0 8.6 20.7 46 A 115 K C 40.2 2.3
22.4 35 A 115 K O 39.1 1.9 22.5 36 A 116 T N 41.2 1.5 22.1 36 A 116
T CA 41.0 0.0 21.9 37 A 116 T CB 41.1 -0.3 20.4 38 A 116 T OG1 40.2
0.5 19.6 39 A 116 T CG2 40.7 -1.8 20.1 39 A 116 T C 42.0 -0.9 22.6
37 A 116 T O 41.7 -2.0 22.9 37 A 117 Q N 43.2 -0.4 22.9 36 A 117 Q
CA 44.2 -1.2 23.6 36 A 117 Q CB 45.3 -1.5 22.6 38 A 117 Q CG 44.9
-2.3 21.4 41 A 117 Q CD 44.5 -3.8 21.8 42 A 117 Q OE1 45.3 -4.5
22.3 44 A 117 Q NE2 43.3 -4.2 21.5 43 A 117 Q C 44.8 -0.6 24.9 35 A
117 Q O 45.0 0.7 24.9 34 A 118 H N 45.0 -1.4 25.9 33 A 118 H CA
45.7 -1.0 27.1 32 A 118 H CB 45.2 -1.8 28.3 35 A 118 H CG 45.8 -1.4
29.6 39 A 118 H CD2 45.3 -0.8 30.7 41 A 118 H ND1 47.2 -1.5 29.8 41
A 118 H CE1 47.4 -1.1 31.0 41 A 118 H NE2 46.3 -0.7 31.6 41 A 118 H
C 47.1 -1.3 26.8 30 A 118 H O 47.4 -2.5 26.5 31 A 119 L N 48.0 -0.3
26.9 26 A 119 L CA 49.4 -0.6 26.6 23 A 119 L CB 50.1 0.8 26.1 21 A
119 L CG 49.5 1.3 24.8 22 A 119 L CD1 50.2 2.6 24.5 22 A 119 L CD2
49.6 0.3 23.7 22 A 119 L C 50.3 -1.1 27.7 21 A 119 L O 50.1 -0.7
28.9 22 A 120 S N 51.2 -2.0 27.4 19 A 120 S CA 52.1 -2.6 28.4 18 A
120 S CB 52.8 -3.8 27.8 18 A 120 S OG 53.7 -3.4 26.7 17 A 120 S C
53.1 -1.5 28.7 17 A 120 S O 53.3 -0.6 27.9 18 A 121 N N 53.8 -1.7
29.9 16 A 121 N CA 54.8 -0.8 30.3 16 A 121 N CB 55.4 -1.1 31.6 17 A
121 N CG 56.5 -0.2 32.0 19 A 121 N OD1 56.3 1.0 32.3 18 A 121 N ND2
57.8 -0.7 32.0 21 A 121 N C 55.9 -0.6 29.2 16 A 121 N O 56.4 0.5
29.0 15 A 122 D N 56.4 -1.7 28.7 15 A 122 D CA 57.4 -1.6 27.7 15 A
122 D CB 58.2 -2.9 27.4 15 A 122 D CG 57.4 -4.0 26.8 15 A 122 D OD1
56.2 -3.8 26.4 16 A 122 D OD2 57.9 -5.1 26.7 15 A 122 D C 57.1 -0.9
26.4 15 A 122 D O 57.9 -0.3 25.7 14 A 123 H N 55.8 -0.9 26.1 15 A
123 H CA 55.3 -0.1 24.9 14 A 123 H CB 54.0 -0.5 24.4 15 A 123 H CG
54.0 -1.7 23.5 17 A 123 H CD2 54.2 -1.8 22.1 18 A 123 H ND1 53.7
-3.0 23.9 18 A 123 H CE1 53.8 -3.8 22.8 18 A 123 H NE2 54.1 -3.1
21.7 20 A 123 H C 55.3 1.4 25.2 16 A 123 H O 55.7 2.2 24.4 14 A 124
I N 54.8 1.7 26.5 15 A 124 I CA 54.8 3.0 26.9 15 A 124 I CB 54.1
3.1 28.4 15 A 124 I CG2 54.2 4.5 28.9 16 A 124 I CG1 52.7 2.6 28.3
16 A 124 I CD1 52.0 2.6 29.6 16 A 124 I C 56.2 3.6 27.0 15 A 124 I
O 56.4 4.8 26.6 16 A 125 C N 57.1 2.8 27.5 15 A 125 C CA 58.5 3.3
27.6 15 A 125 C CB 59.4 2.2 28.3 15 A 125 C SG 61.0 2.6 28.8 18 A
125 C C 59.1 3.6 26.2 13 A 125 C O 59.8 4.7 26.0 13 A 126 Y N 59.0
2.7 25.3 13 A 126 Y CA 59.5 2.9 23.9 14 A 126 Y CB 59.4 1.7 23.1 14
A 126 Y CG 60.0 1.7 21.7 14 A 126 Y CD1 61.3 2.1 21.5 16 A 126 Y
CE1 61.9 2.2 20.3 15 A 126 Y CD2 59.3 1.4 20.6 13 A 126 Y CE2 59.9
1.4 19.3 15 A 126 Y CZ 61.2 1.8 19.2 15 A 126 Y OH 61.8 1.9 17.9 19
A 126 Y C 58.8 4.1 23.2 14 A 126 Y O 59.5 4.9 22.5 14 A 127 F N
57.5 4.3 23.3 14 A 127 F CA 56.8 5.4 22.7 15 A 127 F CB 55.3 5.2
22.8 15 A 127 F CG 54.7 4.1 22.0 16 A 127 F CD1 55.3 3.8 20.8 17 A
127 F CD2 53.5 3.5 22.4 17 A 127 F CE1 54.7 2.8 20.0 19 A 127 F CE2
52.9 2.5 21.6 18 A 127 F CZ 53.5 2.2 20.4 18 A 127 F C 57.3 6.7
23.3 13 A 127 F O 57.5 7.7 22.6 13 A 128 L N 57.4 6.7 24.7 13 A 128
L CA 57.8 8.0 25.4 11 A 128 L CB 57.8 7.8 26.9 12 A 128 L CG 58.2
9.0 27.7 12 A 128 L CD1 57.2 10.2 27.4 14 A 128 L CD2 58.3 8.7 29.1
13 A 128 L C 59.2 8.3 24.9 12 A 128 L O 59.5 9.5 24.7 12 A 129 Y N
60.1 7.3 24.8 11 A 129 Y CA 61.5 7.6 24.3 12 A 129 Y CB 62.3 6.3
24.2 12 A 129 Y CG 63.7 6.5 23.6 12 A 129 Y CD1 64.6 7.2 24.4 11 A
129 Y CE1 65.9 7.5 23.8 13 A 129 Y CD2 64.0 6.1 22.3 12 A 129 Y CE2
65.2 6.4 21.8 12 A 129 Y CZ 66.2 7.0 22.5 12 A 129 Y OH 67.4 7.3
21.9 14 A 129 Y C 61.5 8.3 22.9 12 A 129 Y O 62.2 9.3 22.8 12 A 130
Q N 60.7 7.8 22.0 11 A 130 Q CA 60.6 8.4 20.7 11 A 130 Q CB 59.8
7.5 19.7 12 A 130 Q CG 60.5 6.1 19.5 14 A 130 Q CD 59.7 5.3 18.5 12
A 130 Q OE1 59.7 5.5 17.3 13 A 130 Q NE2 58.9 4.4 19.0 14 A
130 Q C 60.0 9.8 20.7 11 A 130 Q O 60.5 10.7 19.9 11 A 131 I N 59.0
10.1 21.5 11 A 131 I CA 58.4 11.4 21.6 11 A 131 I CB 57.3 11.4 22.6
10 A 131 I CG2 56.8 12.9 22.9 12 A 131 I CG1 56.1 10.6 22.2 12 A
131 I CD1 55.0 10.4 23.2 13 A 131 I C 59.5 12.4 22.0 11 A 131 I O
59.7 13.5 21.5 11 A 132 L N 60.3 12.0 23.1 11 A 132 L CA 61.3 12.9
23.6 10 A 132 L CB 61.8 12.4 25.0 12 A 132 L CG 60.7 12.6 26.1 12 A
132 L CD1 61.1 11.8 27.3 13 A 132 L CD2 60.5 14.0 26.4 12 A 132 L C
62.5 13.0 22.6 11 A 132 L O 63.1 14.1 22.6 11 A 133 R N 62.8 11.9
21.9 10 A 133 R CA 63.9 12.0 20.9 11 A 133 R CB 64.1 10.6 20.3 11 A
133 R CG 65.3 10.5 19.3 10 A 133 R CD 65.6 9.0 19.0 13 A 133 R NE
66.8 8.9 18.1 13 A 133 R CZ 66.7 8.6 16.8 15 A 133 R NH1 65.5 8.4
16.2 18 A 133 R NH2 67.8 8.4 16.1 17 A 133 R C 63.6 13.0 19.8 10 A
133 R O 64.4 13.8 19.5 11 A 134 G N 62.3 13.0 19.4 11 A 134 G CA
61.9 13.9 18.3 11 A 134 G C 61.8 15.3 18.9 10 A 134 G O 62.2 16.3
18.2 11 A 135 L N 61.3 15.5 20.1 10 A 135 L CA 61.2 16.8 20.8 10 A
135 L CB 60.5 16.7 22.1 11 A 135 L CG 60.0 18.0 22.7 10 A 135 L CD1
59.1 18.8 21.8 12 A 135 L CD2 59.4 17.8 24.1 12 A 135 L C 62.6 17.4
21.0 11 A 135 L O 62.7 18.6 20.9 10 A 136 K N 63.6 16.6 21.3 10 A
136 K CA 65.0 17.1 21.5 10 A 136 K CB 66.0 16.0 21.8 10 A 136 K CG
67.4 16.5 21.9 11 A 136 K CD 68.4 15.3 22.2 11 A 136 K CE 69.8 15.9
22.2 12 A 136 K NZ 70.9 14.8 22.3 14 A 136 K C 65.4 17.8 20.2 10 A
136 K O 66.0 18.9 20.3 11 A 137 Y N 65.2 17.2 19.1 11 A 137 Y CA
65.5 17.8 17.8 10 A 137 Y CB 65.3 16.8 16.6 11 A 137 Y CG 65.7 17.3
15.3 11 A 137 Y CD1 64.8 18.0 14.5 13 A 137 Y CE1 65.1 18.4 13.2 14
A 137 Y CD2 66.9 17.0 14.7 11 A 137 Y CE2 67.3 17.4 13.4 13 A 137 Y
CZ 66.4 18.1 12.7 14 A 137 Y OH 66.7 18.5 11.4 16 A 137 Y C 64.7
19.1 17.5 12 A 137 Y O 65.3 20.1 17.1 12 A 138 I N 63.4 19.1 17.8
10 A 138 I CA 62.6 20.3 17.6 10 A 138 I CB 61.1 20.0 18.0 10 A 138
I CG2 60.3 21.3 17.9 11 A 138 I CG1 60.6 18.9 17.1 11 A 138 I CD1
59.2 18.4 17.5 12 A 138 I C 63.1 21.4 18.5 12 A 138 I O 63.4 22.5
18.0 11 A 139 H N 63.3 21.2 19.8 11 A 139 H CA 63.8 22.2 20.7 11 A
139 H CB 63.7 21.7 22.1 12 A 139 H CG 62.3 21.7 22.7 10 A 139 H CD2
61.2 22.1 22.1 11 A 139 H ND1 62.0 21.4 24.0 10 A 139 H CE1 60.7
21.5 24.2 12 A 139 H NE2 60.2 21.9 23.0 11 A 139 H C 65.2 22.7 20.3
11 A 139 H O 65.6 23.9 20.6 12 A 140 S N 66.1 21.8 19.8 11 A 140 S
CA 67.4 22.2 19.4 12 A 140 S CB 68.3 20.9 19.1 12 A 140 S OG 68.0
20.5 17.8 12 A 140 S C 67.4 23.1 18.2 14 A 140 S O 68.4 23.8 18.0
15 A 141 A N 66.3 23.2 17.5 13 A 141 A CA 66.2 24.1 16.3 13 A 141 A
CB 65.3 23.4 15.2 14 A 141 A C 65.5 25.4 16.8 13 A 141 A O 65.2
26.2 15.9 14 A 142 N N 65.4 25.6 18.1 13 A 142 N CA 64.8 26.8 18.7
14 A 142 N CB 65.5 28.0 18.2 16 A 142 N CG 65.3 29.2 19.1 18 A 142
N OD1 65.3 29.1 20.4 19 A 142 N ND2 65.1 30.4 18.6 19 A 142 N C
63.3 26.9 18.3 13 A 142 N O 62.7 28.0 18.2 14 A 143 V N 62.6 25.7
18.1 12 A 143 V CA 61.2 25.7 17.8 12 A 143 V CB 61.0 24.9 16.4 12 A
143 V CG1 59.5 24.7 16.1 13 A 143 V CG2 61.7 25.7 15.3 14 A 143 V C
60.4 25.0 18.9 12 A 143 V O 60.9 24.1 19.6 12 A 144 L N 59.1 25.4
19.0 12 A 144 L CA 58.2 24.9 19.9 13 A 144 L CB 57.7 26.0 20.8 13 A
144 L CG 58.7 26.9 21.5 13 A 144 L CD1 58.0 28.0 22.2 16 A 144 L
CD2 59.5 26.1 22.5 16 A 144 L C 57.0 24.3 19.1 12 A 144 L O 56.5
24.9 18.2 13 A 145 H N 56.6 23.1 19.5 11 A 145 H CA 55.4 22.4 18.8
11 A 145 H CB 55.4 20.9 19.0 10 A 145 H CG 54.3 20.2 18.3 12 A 145
H CD2 54.4 19.4 17.1 11 A 145 H ND1 53.0 20.2 18.6 12 A 145 H CE1
52.3 19.5 17.7 12 A 145 H NE2 53.1 19.0 16.8 12 A 145 H C 54.1 23.1
19.2 12 A 145 H O 53.3 23.5 18.3 12 A 146 R N 53.9 23.2 20.5 11 A
146 R CA 52.7 23.9 21.1 11 A 146 R CB 52.6 25.3 20.6 12 A 146 R CG
53.9 26.1 20.9 14 A 146 R CD 53.9 27.5 20.3 16 A 146 R NE 53.1 28.5
21.1 18 A 146 R CZ 52.0 29.1 20.6 20 A 146 R NH1 51.6 28.9 19.4 19
A 146 R NH2 51.4 30.0 21.4 20 A 146 R C 51.4 23.2 21.0 12 A 146 R O
50.4 23.7 21.4 15 A 147 D N 51.3 22.0 20.4 11 A 147 D CA 50.0 21.3
20.4 12 A 147 D CB 49.2 21.7 19.1 13 A 147 D CG 47.7 21.3 19.3 13 A
147 D OD1 47.2 21.2 20.4 15 A 147 D OD2 47.0 21.1 18.2 18 A 147 D C
50.2 19.7 20.4 12 A 147 D O 49.6 19.0 19.7 13 A 148 L N 51.2 19.3
21.3 11 A 148 L CA 51.4 17.9 21.4 11 A 148 L CB 52.7 17.6 22.2 11 A
148 L CG 54.0 18.1 21.5 12 A 148 L CD1 55.2 18.0 22.5 12 A 148 L
CD2 54.3 17.3 20.3 14 A 148 L C 50.2 17.2 22.2 11 A 148 L O 49.8
17.7 23.2 12 A 149 K N 49.7 16.1 21.6 12 A 149 K CA 48.6 15.4 22.1
13 A 149 K CB 47.3 16.1 21.9 15 A 149 K CG 47.0 16.5 20.5 14 A 149
K CD 45.7 17.4 20.4 16 A 149 K CE 45.4 17.9 19.0 17 A 149 K NZ 44.1
18.6 19.0 19 A 149 K C 48.6 14.0 21.4 13 A 149 K O 49.2 13.9 20.4
13 A 150 P N 47.9 13.0 21.9 13 A 150 P CD 47.1 13.0 23.2 14 A 150 P
CA 47.8 11.7 21.3 14 A 150 P CB 46.8 10.9 22.1 14 A 150 P CG 47.0
11.5 23.5 14 A 150 P C 47.5 11.7 19.8 15 A 150 P O 48.1 10.9 19.0
15 A 151 S N 46.6 12.5 19.3 15 A 151 S CA 46.2 12.5 17.9 16 A 151 S
CB 44.9 13.2 17.7 17 A 151 S OG 45.0 14.6 18.0 18 A 151 S C 47.3
13.0 17.0 16 A 151 S O 47.2 12.9 15.8 17 A 152 N N 48.3 13.7 17.5
15 A 152 N CA 49.4 14.2 16.7 15 A 152 N CB 49.7 15.7 17.2 15 A 152
N CG 48.7 16.7 16.7 17 A 152 N OD1 48.6 17.8 17.2 18 A 152 N ND2
48.0 16.3 15.7 15 A 152 N C 50.6 13.3 16.8 15 A 152 N O 51.7 13.8
16.4 15 A 153 L N 50.5 12.1 17.3 13 A 153 L CA 51.6 11.1 17.4 14 A
153 L CB 51.8 10.7 18.8 14 A 153 L CG 52.1 11.9 19.8 12 A 153 L CD1
52.2 11.3 21.2 14 A 153 L CD2 53.4 12.6 19.4 13 A 153 L C 51.2 9.9
16.5 15 A 153 L O 50.4 9.1 16.9 15 A 154 L N 51.8 9.9 15.3 15 A 154
L CA 51.5 8.8 14.4 15 A 154 L CB 51.7 9.3 12.9 15 A 154 L CG 51.1
10.6 12.6 16 A 154 L CD1 51.5 11.0 11.2 18 A 154 L CD2 49.6 10.6
12.8 20 A 154 L C 52.3 7.5 14.6 15 A 154 L O 53.4 7.6 15.0 15 A 155
L N 51.7 6.4 14.4 17 A 155 L CA 52.3 5.1 14.6 18 A 155 L CB 51.8
4.5 15.9 20 A 155 L CG 51.7 5.3 17.2 22 A 155 L CD1 50.8 4.7 18.2
22 A 155 L CD2 53.0 5.7 17.7 22 A 155 L C 52.1 4.0 13.5 20 A 155 L
O 51.1 4.1 12.8 19 A 156 N N 53.0 3.1 13.4 21 A 156 N CA 52.8 2.0
12.5 23 A 156 N CB 53.9 2.1 11.3 23 A 156 N CG 55.3 2.0 11.8 23 A
156 N OD1 55.6 1.4 12.9 23 A 156 N ND2 56.2 2.6 11.0 26 A 156 N C
53.0 0.6 13.2 23 A 156 N O 53.2 0.6 14.4 22 A 157 T N 52.8 -0.5
12.5 26 A 157 T CA 52.9 -1.8 13.2 28 A 157 T CB 52.6 -3.0 12.2 30 A
157 T OG1 53.1 -2.6 10.9 33 A 157 T CG2 51.1 -3.2 12.1 32 A 157 T C
54.3 -2.1 13.8 27 A 157 T O 54.4 -2.8 14.8 28 A 158 T N 55.4 -1.6
13.2 25 A 158 T CA 56.7 -1.8 13.8 24 A 158 T CB 57.8 -1.6 12.7 26 A
158 T OG1 57.5 -0.3 12.0 30 A 158 T CG2 57.7 -2.7 11.6 27 A 158 T C
56.9 -0.9 15.0 22 A 158 T O 58.1 -0.8 15.5 22 A 159 C N 55.9 -0.2
15.4 20 A 159 C CA 56.0 0.7 16.6 19 A 159 C CB 56.4 -0.0 17.8 19 A
159 C SG 55.2 -1.2 18.5 22 A 159 C C 56.8 2.0 16.4 17 A 159 C O
57.2 2.6 17.3 17 A 160 D N 57.0 2.4 15.1 17 A 160 D CA 57.8 3.6
14.9 16 A 160 D CB 58.2 3.7 13.4 18 A 160 D CG 59.2 2.7 13.0 20 A
160 D OD1 60.2 2.5 13.7 21 A 160 D OD2 59.0 2.0 11.9 27 A 160 D C
56.8 4.7 15.2 15 A 160 D O 55.6 4.6 14.9 17 A 161 L N 57.3 5.8 15.8
13 A 161 L CA 56.4 6.9 16.1 13 A 161 L CB 56.4 7.1 17.7 13 A 161 L
CG 55.6 8.2 18.3 13 A 161 L CD1 55.1 7.9 19.7 14 A 161 L CD2 56.4
9.5 18.3 13 A 161 L C 56.9 8.2 15.5 14 A 161 L O 58.1 8.5 15.5 14 A
162 K N 56.0 9.0 14.9 14 A 162 K CA 56.4 10.3 14.3 14 A
162 K CB 56.3 10.2 12.7 15 A 162 K CG 57.4 9.3 12.1 17 A 162 K CD
57.2 9.2 10.6 19 A 162 K CE 58.2 8.2 10.0 21 A 162 K NZ 59.6 8.6
10.1 25 A 162 K C 55.4 11.4 14.7 13 A 162 K O 54.2 11.3 14.7 14 A
163 I N 56.0 12.5 15.1 13 A 163 I CA 55.3 13.7 15.6 13 A 163 I CB
56.2 14.6 16.4 12 A 163 I CG2 55.4 15.9 16.8 13 A 163 I CG1 56.6
13.9 17.7 12 A 163 I CD1 57.8 14.6 18.4 12 A 163 I C 54.8 14.5 14.3
14 A 163 I O 55.6 14.7 13.4 13 A 164 C N 53.5 14.9 14.3 13 A 164 C
CA 53.0 15.6 13.2 15 A 164 C CB 52.1 14.7 12.3 16 A 164 C SG 50.5
14.3 13.1 18 A 164 C C 52.2 16.8 13.6 15 A 164 C O 52.1 17.1 14.8
14 A 165 D N 51.7 17.6 12.6 16 A 165 D CA 50.8 18.8 12.8 18 A 165 D
CB 49.6 18.4 13.6 21 A 165 D CG 48.5 17.8 12.7 26 A 165 D OD1 48.8
16.9 12.0 29 A 165 D OD2 47.3 18.3 12.8 30 A 165 D C 51.5 20.0 13.5
17 A 165 D O 51.3 20.2 14.7 18 A 166 F N 52.4 20.7 12.8 16 A 166 F
CA 53.1 21.8 13.3 16 A 166 F CB 54.5 21.9 12.7 17 A 166 F CG 55.4
20.8 13.3 16 A 166 F CD1 55.2 19.4 13.1 17 A 166 F CD2 56.5 21.2
14.2 16 A 166 F CE1 56.0 18.5 13.6 17 A 166 F CE2 57.3 20.2 14.7 16
A 166 F CZ 57.1 18.9 14.4 16 A 166 F C 52.4 23.2 12.9 16 A 166 F O
53.1 24.2 12.8 17 A 167 G N 51.1 23.2 12.8 16 A 167 G CA 50.4 24.4
12.5 17 A 167 G C 50.4 25.5 13.5 18 A 167 G O 50.3 26.7 13.2 18 A
168 L N 50.6 25.1 14.8 16 A 168 L CA 50.6 26.1 15.9 15 A 168 L CB
49.7 25.6 17.0 16 A 168 L CG 48.2 25.5 16.7 19 A 168 L CD1 47.5
25.1 18.0 21 A 168 L CD2 47.7 26.9 16.2 19 A 168 L C 52.0 26.3 16.4
13 A 168 L O 52.2 26.9 17.4 14 A 169 A N 53.0 25.7 15.7 14 A 169 A
CA 54.4 25.9 16.1 16 A 169 A CB 55.3 24.9 15.3 16 A 169 A C 54.9
27.3 16.0 18 A 169 A O 54.5 28.1 15.1 20 A 170 R N 55.9 27.6 16.8
17 A 170 R CA 56.5 29.0 16.8 16 A 170 R CB 55.8 29.9 17.9 18 A 170
R CG 54.3 30.0 17.7 21 A 170 R CD 54.0 30.8 16.4 25 A 170 R NE 54.4
32.2 16.5 29 A 170 R CZ 53.8 33.1 17.1 31 A 170 R NH1 52.6 32.8
17.8 34 A 170 R NH2 54.2 34.4 17.2 32 A 170 R C 58.0 28.9 17.2 17 A
170 R O 58.5 27.9 17.7 15 A 171 V N 58.7 30.0 16.9 16 A 171 V CA
60.1 30.1 17.2 15 A 171 V CB 60.9 31.1 16.4 15 A 171 V CG1 62.3
31.4 16.9 16 A 171 V CG2 61.0 30.6 14.9 16 A 171 V C 60.1 30.5 18.7
15 A 171 V O 59.4 31.4 19.1 18 A 172 A N 60.9 29.8 19.5 16 A 172 A
CA 60.9 30.1 21.0 16 A 172 A CB 61.9 29.2 21.7 16 A 172 A C 61.3
31.6 21.2 17 A 172 A O 62.1 32.2 20.5 19 A 173 D N 60.7 32.1 22.3
17 A 173 D CA 60.9 33.5 22.6 19 A 173 D CB 60.0 34.4 21.8 20 A 173
D CG 60.4 35.9 21.9 22 A 173 D OD1 61.4 36.3 22.6 24 A 173 D OD2
59.6 36.7 21.3 25 A 173 D C 60.7 33.7 24.1 19 A 173 D O 59.7 34.4
24.5 18 A 174 P N 61.5 33.2 25.0 20 A 174 P CD 62.7 32.3 24.6 21 A
174 P CA 61.4 33.3 26.4 22 A 174 P CB 62.5 32.4 27.0 23 A 174 P CG
63.5 32.4 25.9 21 A 174 P C 61.4 34.7 27.0 23 A 174 P O 60.8 35.0
28.0 25 A 175 D N 62.1 35.6 26.3 24 A 175 D CA 62.2 37.0 26.8 26 A
175 D CB 63.3 37.7 26.1 29 A 175 D CG 64.7 37.2 26.4 32 A 175 D OD1
64.9 37.0 27.6 35 A 175 D OD2 65.5 36.9 25.5 37 A 175 D C 60.8 37.8
26.6 26 A 175 D O 60.7 38.8 27.2 26 A 176 H N 59.9 37.2 25.8 24 A
176 H CA 58.6 37.9 25.6 24 A 176 H CB 58.6 38.4 24.1 27 A 176 H CG
59.6 39.4 23.8 28 A 176 H CD2 59.6 40.7 23.5 30 A 176 H ND1 61.0
39.0 23.7 30 A 176 H CE1 61.7 40.1 23.3 30 A 176 H NE2 60.9 41.1
23.2 31 A 176 H C 57.5 37.0 25.8 22 A 176 H O 56.4 37.0 25.2 23 A
177 D N 57.7 36.1 26.8 21 A 177 D CA 56.7 35.1 27.2 21 A 177 D CB
57.4 33.9 27.8 20 A 177 D CG 56.4 32.7 28.2 20 A 177 D OD1 56.1
32.5 29.4 21 A 177 D OD2 56.0 32.0 27.2 24 A 177 D C 55.6 35.6 28.1
21 A 177 D O 54.5 35.0 28.2 19 A 178 H N 55.9 36.6 28.9 22 A 178 H
CA 54.9 37.2 29.8 23 A 178 H CB 55.6 38.2 30.8 27 A 178 H CG 56.5
39.1 30.1 32 A 178 H CD2 56.6 40.5 30.1 34 A 178 H ND1 57.5 38.7
29.2 34 A 178 H CE1 58.2 39.8 28.8 35 A 178 H NE2 57.7 40.8 29.3 35
A 178 H C 53.6 37.8 29.3 22 A 178 H O 53.7 38.6 28.3 23 A 179 T N
52.5 37.5 29.9 20 A 179 T CA 51.2 38.1 29.6 19 A 179 T CB 50.5 37.2
28.4 20 A 179 T OG1 49.3 37.9 28.0 23 A 179 T CG2 50.2 35.8 28.9 19
A 179 T C 50.3 38.0 30.8 18 A 179 T O 50.8 37.6 31.9 18 A 180 G N
49.1 38.6 30.7 17 A 180 G CA 48.2 38.6 31.8 18 A 180 G C 47.5 37.4
32.2 19 A 180 G O 47.7 36.3 31.6 21 A 181 F N 46.7 37.5 33.3 16 A
181 F CA 46.0 36.4 33.9 15 A 181 F CB 45.5 36.8 35.3 14 A 181 F CG
44.6 35.9 36.1 14 A 181 F CD1 45.0 34.6 36.3 17 A 181 F CD2 43.4
36.3 36.6 15 A 181 F CE1 44.2 33.7 37.1 18 A 181 F CE2 42.6 35.5
37.4 16 A 181 F CZ 43.0 34.2 37.6 16 A 181 F C 44.7 36.1 33.0 16 A
181 F O 44.0 37.0 32.6 17 A 182 L N 44.5 34.8 32.8 15 A 182 L CA
43.3 34.3 32.0 16 A 182 L CB 42.0 34.6 32.8 18 A 182 L CG 41.9 34.0
34.2 17 A 182 L CD1 40.5 34.3 34.8 19 A 182 L CD2 42.1 32.4 34.1 19
A 182 L C 43.3 34.9 30.6 18 A 182 L O 42.2 35.3 30.1 20 A 183 T N
44.4 34.9 29.9 20 A 183 T CA 44.5 35.4 28.5 23 A 183 T CB 46.0 35.9
28.2 25 A 183 T OG1 46.3 37.0 29.1 27 A 183 T CG2 46.1 36.3 26.7 26
A 183 T C 44.2 34.2 27.6 25 A 183 T O 44.6 33.1 27.8 27 A 184 E N
43.4 34.5 26.6 27 A 184 E CA 43.0 33.5 25.6 29 A 184 E CB 42.2 34.2
24.5 32 A 184 E CG 41.6 33.2 23.4 37 A 184 E CD 40.8 33.8 22.4 40 A
184 E OE1 39.8 34.5 22.7 41 A 184 E OE2 41.1 33.7 21.2 42 A 184 E C
44.2 32.7 25.0 28 A 184 E O 45.2 33.3 24.7 29 A 185 Y N 43.9 31.4
24.7 28 A 185 Y CA 45.0 30.6 24.2 28 A 185 Y CB 45.6 29.7 25.3 26 A
185 Y CG 46.9 29.1 24.9 25 A 185 Y CD1 48.0 30.0 24.6 25 A 185 Y
CE1 49.3 29.5 24.3 25 A 185 Y CD2 47.2 27.8 24.8 26 A 185 Y CE2
48.4 27.3 24.5 25 A 185 Y CZ 49.5 28.1 24.2 25 A 185 Y OH 50.7 27.6
23.9 25 A 185 Y C 44.3 29.7 23.1 28 A 185 Y O 43.1 29.4 23.2 28 A
186 V N 45.1 29.2 22.1 27 A 186 V CA 44.6 28.4 21.0 27 A 186 V CB
45.1 28.9 19.7 28 A 186 V CG1 46.6 28.9 19.7 29 A 186 V CG2 44.6
28.0 18.5 29 A 186 V C 44.8 26.9 21.1 26 A 186 V O 43.9 26.1 20.7
28 A 187 A N 45.9 26.5 21.7 24 A 187 A CA 46.2 25.0 21.8 24 A 187 A
CB 47.6 24.8 22.4 25 A 187 A C 45.2 24.2 22.6 22 A 187 A O 44.5
24.8 23.4 23 A 188 T N 45.1 22.9 22.3 20 A 188 T CA 44.2 22.0 23.0
17 A 188 T CB 44.5 20.6 22.5 15 A 188 T OG1 44.7 20.6 21.1 15 A 188
T CG2 43.3 19.7 22.9 15 A 188 T C 44.2 22.1 24.5 18 A 188 T O 45.2
21.8 25.2 17 A 189 R N 43.0 22.4 25.0 16 A 189 R CA 42.8 22.6 26.5
15 A 189 R CB 41.3 22.7 26.8 17 A 189 R CG 41.0 23.2 28.2 19 A 189
R CD 39.5 23.1 28.5 22 A 189 R NE 38.7 23.8 27.5 22 A 189 R CZ 37.7
23.2 26.9 24 A 189 R NH1 37.3 22.0 27.2 25 A 189 R NH2 37.0 23.9
26.0 27 A 189 R C 43.4 21.6 27.5 15 A 189 R O 44.1 21.9 28.4 15 A
190 W N 43.0 20.3 27.3 16 A 190 W CA 43.5 19.2 28.2 15 A 190 W CB
42.9 17.9 27.8 17 A 190 W CG 41.4 17.8 27.9 18 A 190 W CD2 40.6
16.7 27.4 20 A 190 W CE2 39.3 17.0 27.6 19 A 190 W CE3 40.9 15.5
26.7 20 A 190 W CD1 40.6 18.7 28.4 20 A 190 W NE1 39.3 18.3 28.3 20
A 190 W CZ2 38.2 16.2 27.3 21 A 190 W CZ3 39.9 14.7 26.3 22 A 190 W
CH2 38.5 15.0 26.6 22 A 190 W C 45.0 19.1 28.4 14 A 190 W O 45.5
18.6 29.4 14 A 191 Y N 45.8 19.6 27.4 13 A 191 Y CA 47.3 19.5 27.4
12 A 191 Y CB 47.7 18.8 26.1 12 A 191 Y CG 47.0 17.5 25.8 12 A 191
Y CD1 47.4 16.3 26.3 12 A 191 Y CE1 46.6 15.1 26.2 13 A 191 Y CD2
45.8 17.6 25.1 13 A 191 Y CE2 45.0 16.4 24.9 13 A 191 Y CZ 45.4
15.2 25.5 13 A 191 Y OH 44.6 14.1 25.4 14 A 191 Y C 48.0 20.8 27.7
12 A 191 Y O 49.2 20.8 27.6 11 A 192 R N 47.3 21.8 28.2 12 A 192 R
CA 47.8 23.1 28.5 12 A 192 R CB 46.7 24.2 28.5 13 A 192 R CG 46.1
24.5 27.1 17 A 192 R CD 45.0 25.5 27.3 17 A 192 R NE 44.3 25.8 26.0
17 A
192 R CZ 43.1 26.2 25.9 21 A 192 R NH1 42.4 26.5 27.0 22 A 192 R
NH2 42.5 26.4 24.8 23 A 192 R C 48.5 23.2 29.9 11 A 192 R O 47.9
22.8 30.9 12 A 193 A N 49.7 23.7 29.9 11 A 193 A CA 50.4 23.9 31.2
10 A 193 A CB 51.8 24.3 30.9 11 A 193 A C 49.7 24.9 32.1 12 A 193 A
O 49.1 25.9 31.6 12 A 194 P N 49.8 24.8 33.4 12 A 194 P CD 50.7
23.9 34.2 12 A 194 P CA 49.2 25.8 34.3 12 A 194 P CB 49.6 25.3 35.7
12 A 194 P CG 50.9 24.6 35.5 13 A 194 P C 49.5 27.2 34.0 12 A 194 P
O 48.6 28.1 34.1 13 A 195 E N 50.8 27.5 33.7 12 A 195 E CA 51.2
28.9 33.5 12 A 195 E CB 52.7 29.0 33.3 12 A 195 E CG 53.2 28.2 32.0
11 A 195 E CD 53.7 26.8 32.4 14 A 195 E OE1 53.2 26.3 33.4 13 A 195
E OE2 54.5 26.3 31.6 14 A 195 E C 50.5 29.6 32.3 13 A 195 E O 50.4
30.8 32.2 14 A 196 I N 49.9 28.8 31.4 12 A 196 I CA 49.2 29.4 30.2
13 A 196 I CB 48.6 28.3 29.3 13 A 196 I CG2 47.7 28.9 28.3 15 A 196
I CG1 49.8 27.6 28.5 14 A 196 I CD1 50.7 28.6 27.7 16 A 196 I C
48.0 30.2 30.7 13 A 196 I O 47.7 31.3 30.2 13 A 197 M N 47.4 29.8
31.8 12 A 197 M CA 46.2 30.5 32.4 13 A 197 M CB 45.3 29.4 33.1 14 A
197 M CG 44.5 28.5 32.2 15 A 197 M SD 45.4 27.2 31.4 15 A 197 M CE
45.6 26.0 32.7 16 A 197 M C 46.6 31.5 33.4 15 A 197 M O 45.8 32.3
33.8 15 A 198 L N 47.9 31.5 33.8 13 A 198 L CA 48.4 32.5 34.8 14 A
198 L CB 49.1 31.7 35.9 14 A 198 L CG 48.4 30.6 36.7 15 A 198 L CD1
49.4 29.7 37.4 16 A 198 L CD2 47.3 31.2 37.6 16 A 198 L C 49.2 33.6
34.3 14 A 198 L O 49.0 34.8 34.8 15 A 199 N N 50.2 33.4 33.4 15 A
199 N CA 51.1 34.4 33.0 15 A 199 N CB 52.1 34.7 34.1 16 A 199 N CG
52.9 33.4 34.4 19 A 199 N OD1 53.2 32.6 33.6 19 A 199 N ND2 53.3
33.3 35.7 20 A 199 N C 51.9 34.1 31.7 16 A 199 N O 52.9 34.9 31.4
17 A 200 S N 51.6 33.1 30.9 14 A 200 S CA 52.4 32.7 29.8 15 A 200 S
CB 53.1 31.4 30.1 15 A 200 S OG 53.8 30.9 28.9 17 A 200 S C 51.7
32.7 28.4 15 A 200 S O 50.6 32.2 28.3 16 A 201 K N 52.4 33.1 27.4
17 A 201 K CA 51.9 33.1 26.0 16 A 201 K CB 52.5 34.2 25.2 19 A 201
K CG 52.0 35.6 25.6 22 A 201 K CD 52.6 36.7 24.7 23 A 201 K CE 52.1
38.0 25.0 25 A 201 K NZ 52.7 39.1 24.1 28 A 201 K C 52.3 31.8 25.3
16 A 201 K O 52.0 31.5 24.2 16 A 202 G N 53.1 30.9 26.0 15 A 202 G
CA 53.5 29.6 25.5 16 A 202 G C 54.7 29.8 24.5 16 A 202 G O 54.7
29.1 23.5 15 A 203 Y N 55.6 30.6 24.9 16 A 203 Y CA 56.8 30.8 24.0
16 A 203 Y CB 57.0 32.3 23.7 18 A 203 Y CG 55.9 33.0 22.9 19 A 203
Y CD1 55.0 32.2 22.2 21 A 203 Y CE1 54.0 32.9 21.4 24 A 203 Y CD2
55.8 34.4 22.8 22 A 203 Y CE2 54.8 35.0 22.0 22 A 203 Y CZ 53.9
34.2 21.3 23 A 203 Y OH 53.0 34.9 20.6 27 A 203 Y C 58.1 30.3 24.6
16 A 203 Y O 59.2 30.7 24.2 17 A 204 T N 58.0 29.3 25.6 17 A 204 T
CA 59.1 28.7 26.2 16 A 204 T CB 59.3 29.0 27.6 20 A 204 T OG1 58.3
28.4 28.4 25 A 204 T CG2 59.2 30.6 27.8 20 A 204 T C 59.0 27.2 26.0
15 A 204 T O 57.9 26.6 26.0 16 A 205 K N 60.2 26.5 25.9 15 A 205 K
CA 60.2 25.0 25.8 13 A 205 K CB 61.7 24.6 25.7 13 A 205 K CG 62.4
25.1 24.4 13 A 205 K CD 63.9 24.9 24.5 14 A 205 K CE 64.6 25.5 23.3
14 A 205 K NZ 66.1 25.3 23.3 16 A 205 K C 59.5 24.2 26.8 12 A 205 K
O 59.0 23.1 26.5 12 A 206 S N 59.4 24.8 28.0 12 A 206 S CA 58.7
24.1 29.1 13 A 206 S CB 58.8 24.9 30.4 14 A 206 S OG 58.4 26.3 30.2
17 A 206 S C 57.2 23.8 28.8 12 A 206 S O 56.6 22.9 29.4 12 A 207 I
N 56.6 24.6 27.9 11 A 207 I CA 55.2 24.3 27.5 13 A 207 I CB 54.7
25.4 26.5 15 A 207 I CG2 55.3 25.3 25.2 19 A 207 I CG1 53.2 25.4
26.4 20 A 207 I CD1 52.5 25.7 27.7 23 A 207 I C 55.0 22.9 26.9 12 A
207 I O 54.0 22.2 27.2 12 A 208 D N 56.0 22.5 26.1 10 A 208 D CA
55.9 21.2 25.4 10 A 208 D CB 56.9 21.1 24.3 9 A 208 D CG 56.5 21.8
23.0 10 A 208 D OD1 55.3 22.0 22.7 11 A 208 D OD2 57.4 22.2 22.2 11
A 208 D C 56.1 20.0 26.4 10 A 208 D O 55.5 19.0 26.3 10 A 209 I N
57.0 20.2 27.4 10 A 209 I CA 57.3 19.2 28.4 11 A 209 I CB 58.5 19.6
29.3 10 A 209 I CG2 58.6 18.6 30.4 12 A 209 I CG1 59.8 19.6 28.5 12
A 209 I CD1 60.2 18.3 27.9 15 A 209 I C 56.0 18.9 29.2 10 A 209 I O
55.7 17.7 29.4 11 A 210 W N 55.2 19.9 29.5 10 A 210 W CA 54.0 19.7
30.3 10 A 210 W CB 53.3 21.0 30.6 11 A 210 W CG 52.0 20.8 31.3 8 A
210 W CD2 51.8 20.7 32.7 10 A 210 W CE2 50.4 20.4 33.0 9 A 210 W
CE3 52.7 20.8 33.8 11 A 210 W CD1 50.7 20.5 30.8 10 A 210 W NE1
49.8 20.3 31.8 11 A 210 W CZ2 49.9 20.3 34.3 10 A 210 W CZ3 52.1
20.7 35.1 12 A 210 W CH2 50.8 20.4 35.3 11 A 210 W C 53.1 18.8 29.4
10 A 210 W O 52.5 17.8 29.9 11 A 211 S N 52.9 19.1 28.1 10 A 211 S
CA 52.1 18.3 27.3 9 A 211 S CB 52.0 18.9 25.8 10 A 211 S OG 51.6
20.2 25.9 11 A 211 S C 52.5 16.8 27.2 10 A 211 S O 51.7 15.9 27.3
11 A 212 V N 53.8 16.6 27.1 10 A 212 V CA 54.3 15.2 27.1 11 A 212 V
CB 55.9 15.2 26.9 12 A 212 V CG1 56.4 13.8 26.9 12 A 212 V CG2 56.2
15.8 25.5 13 A 212 V C 54.0 14.5 28.4 11 A 212 V O 53.6 13.3 28.4
11 A 213 G N 54.1 15.2 29.5 10 A 213 G CA 53.7 14.6 30.8 10 A 213 G
C 52.2 14.2 30.8 11 A 213 G O 51.9 13.1 31.3 11 A 214 C N 51.4 15.0
30.2 11 A 214 C CA 49.9 14.7 30.1 12 A 214 C CB 49.1 15.8 29.6 12 A
214 C SG 49.0 17.3 30.6 12 A 214 C C 49.7 13.4 29.3 14 A 214 C O
48.9 12.6 29.6 14 A 215 I N 50.5 13.3 28.2 12 A 215 I CA 50.5 12.1
27.3 12 A 215 I CB 51.3 12.4 26.0 12 A 215 I CG2 51.4 11.1 25.2 14
A 215 I CG1 50.7 13.5 25.2 12 A 215 I CD1 51.6 14.1 24.1 14 A 215 I
C 50.9 10.9 28.0 12 A 215 I O 50.3 9.8 27.9 12 A 216 L N 52.0 11.0
28.8 12 A 216 L CA 52.4 9.8 29.6 14 A 216 L CB 53.7 10.1 30.4 13 A
216 L CG 54.2 9.1 31.4 13 A 216 L CD1 54.5 7.8 30.7 12 A 216 L CD2
55.5 9.6 32.0 12 A 216 L C 51.3 9.3 30.6 14 A 216 L O 51.1 8.1 30.6
14 A 217 A N 50.7 10.2 31.3 14 A 217 A CA 49.6 9.9 32.2 14 A 217 A
CB 49.1 11.1 32.9 14 A 217 A C 48.5 9.2 31.5 16 A 217 A O 47.9 8.2
32.0 17 A 218 E N 48.2 9.7 30.3 14 A 218 E CA 47.1 9.1 29.5 15 A
218 E CB 46.8 10.0 28.3 15 A 218 E CG 45.4 9.8 27.7 17 A 218 E CD
44.9 10.9 26.9 18 A 218 E OE1 45.3 12.1 27.1 16 A 218 E OE2 44.0
10.7 26.0 20 A 218 E C 47.5 7.7 29.0 16 A 218 E O 46.6 6.8 28.9 16
A 219 M N 48.7 7.4 28.7 15 A 219 M CA 49.1 6.1 28.3 16 A 219 M CB
50.6 6.0 27.7 13 A 219 M CG 50.7 6.7 26.4 15 A 219 M SD 52.3 6.3
25.5 15 A 219 M CE 53.4 7.4 26.3 14 A 219 M C 49.0 5.1 29.5 17 A
219 M O 48.8 3.9 29.3 17 A 220 L N 49.2 5.6 30.7 16 A 220 L CA 49.2
4.8 31.9 18 A 220 L CB 49.9 5.5 33.0 18 A 220 L CG 51.4 5.7 32.9 18
A 220 L CD1 51.9 6.6 34.1 19 A 220 L CD2 52.1 4.4 32.9 19 A 220 L C
47.8 4.3 32.3 20 A 220 L O 47.6 3.3 32.9 21 A 221 S N 46.8 5.1 31.9
20 A 221 S CA 45.4 4.8 32.3 21 A 221 S CB 45.0 5.8 33.4 21 A 221 S
OG 45.0 7.1 32.9 26 A 221 S C 44.3 4.8 31.2 22 A 221 S O 43.2 4.4
31.5 24 A 222 N N 44.7 5.2 30.0 21 A 222 N CA 43.7 5.3 28.9 21 A
222 N CB 43.1 3.9 28.7 21 A 222 N CG 44.0 2.9 28.0 20 A 222 N OD1
44.0 2.8 26.8 24 A 222 N ND2 44.7 2.2 28.9 22 A 222 N C 42.7 6.4
29.1 22 A 222 N O 41.6 6.3 28.6 25 A 223 R N 43.0 7.4 29.9 22 A 223
R CA 42.1 8.5 30.2 22 A 223 R CB 41.3 8.2 31.5 27 A 223 R CG 42.1
8.0 32.7 34 A 223 R CD 41.3 7.8 33.9 40 A 223 R NE 42.1 7.5 35.1 45
A 223 R CZ 43.0 8.4 35.6 48 A 223 R NH1 43.2 9.6 35.1 48 A 223 R
NH2 43.7 8.0 36.7 49 A 223 R C 42.9 9.7 30.4 19 A 223 R O 44.0 9.7
30.9 18 A 224 P N 42.3 10.9 29.9 18 A 224 P CD 41.1 11.1 29.2 19 A
224 P CA 43.1 12.1 30.1 17 A 224 P CB 42.2 13.2 29.3 18 A 224 P CG
40.8 12.6 29.4 21 A 224 P C 43.2 12.5 31.6 17 A 224 P O 42.2 12.3
32.4 16 A 225 I N 44.4 12.9 32.0 16 A
225 I CA 44.6 13.2 33.4 16 A 225 I CB 46.1 13.2 33.8 16 A 225 I CG2
46.9 14.2 32.9 16 A 225 I CG1 46.3 13.5 35.3 18 A 225 I CD1 47.7
13.5 35.7 21 A 225 I C 43.9 14.5 33.9 16 A 225 I O 43.4 14.6 35.0
18 A 226 F N 43.8 15.5 33.0 16 A 226 F CA 43.2 16.8 33.4 16 A 226 F
CB 44.3 17.9 33.4 15 A 226 F CG 45.4 17.6 34.4 13 A 226 F CD1 45.2
17.4 35.7 14 A 226 F CD2 46.7 17.6 33.9 13 A 226 F CE1 46.3 17.2
36.6 14 A 226 F CE2 47.8 17.4 34.7 14 A 226 F CZ 47.6 17.2 36.1 15
A 226 F C 42.1 17.2 32.3 15 A 226 F O 42.4 18.1 31.5 17 A 227 P N
41.0 16.6 32.3 18 A 227 P CD 40.6 15.4 33.2 18 A 227 P CA 39.9 16.9
31.4 18 A 227 P CB 39.1 15.5 31.4 19 A 227 P CG 39.2 15.1 32.8 19 A
227 P C 39.0 18.1 31.7 20 A 227 P O 37.8 17.9 32.0 21 A 228 G N
39.6 19.3 31.7 21 A 228 G CA 38.8 20.5 31.9 23 A 228 G C 37.6 20.6
31.0 23 A 228 G O 37.8 20.3 29.8 23 A 229 K N 36.5 21.1 31.5 25 A
229 K CA 35.3 21.3 30.7 27 A 229 K CB 34.0 21.1 31.5 29 A 229 K CG
33.8 19.7 32.1 33 A 229 K CD 32.6 19.6 32.9 36 A 229 K CE 32.3 18.2
33.5 39 A 229 K NZ 33.4 17.8 34.4 39 A 229 K C 35.3 22.6 30.0 26 A
229 K O 34.6 22.8 28.9 29 A 230 H N 36.1 23.5 30.5 24 A 230 H CA
36.2 24.9 29.9 23 A 230 H CB 35.0 25.8 30.3 23 A 230 H CG 34.7 25.9
31.8 19 A 230 H CD2 35.3 26.6 32.7 20 A 230 H ND1 33.8 25.1 32.4 22
A 230 H CE1 33.7 25.4 33.7 20 A 230 H NE2 34.6 26.3 33.9 22 A 230 H
C 37.5 25.5 30.4 23 A 230 H O 38.2 24.9 31.2 22 A 231 Y N 37.8 26.7
29.9 23 A 231 Y CA 39.1 27.4 30.2 23 A 231 Y CB 39.0 28.8 29.7 24 A
231 Y CG 40.3 29.6 29.7 22 A 231 Y CD1 40.7 30.2 30.9 23 A 231 Y
CE1 41.9 30.9 31.0 23 A 231 Y CD2 41.2 29.6 28.6 22 A 231 Y CE2
42.4 30.3 28.7 21 A 231 Y CZ 42.8 30.9 29.9 21 A 231 Y OH 44.0 31.6
29.9 20 A 231 Y C 39.6 27.4 31.6 23 A 231 Y O 40.7 26.9 31.9 22 A
232 L N 38.8 28.0 32.6 23 A 232 L CA 39.3 28.1 34.0 22 A 232 L CB
38.4 29.1 34.8 23 A 232 L CG 38.8 29.2 36.2 24 A 232 L CD1 40.2
29.6 36.4 25 A 232 L CD2 37.8 30.1 36.9 25 A 232 L C 39.2 26.7 34.7
22 A 232 L O 40.0 26.4 35.6 22 A 233 D N 38.3 25.9 34.2 20 A 233 D
CA 38.2 24.5 34.8 19 A 233 D CB 37.0 23.8 34.2 20 A 233 D CG 36.6
22.5 34.9 20 A 233 D OD1 36.5 22.6 36.2 21 A 233 D OD2 36.3 21.5
34.3 21 A 233 D C 39.5 23.7 34.6 18 A 233 D O 39.8 22.8 35.4 17 A
234 Q N 40.2 24.0 33.6 16 A 234 Q CA 41.5 23.3 33.3 16 A 234 Q CB
42.1 23.8 32.0 14 A 234 Q CG 43.3 23.0 31.5 15 A 234 Q CD 42.9 21.5
31.3 16 A 234 Q OE1 41.7 21.3 30.8 16 A 234 Q NE2 43.8 20.6 31.6 15
A 234 Q C 42.5 23.5 34.5 17 A 234 Q O 43.1 22.6 34.9 16 A 235 L N
42.5 24.8 35.0 17 A 235 L CA 43.4 25.0 36.1 19 A 235 L CB 43.5 26.6
36.3 20 A 235 L CG 44.5 27.0 37.4 20 A 235 L CD1 45.9 26.5 37.2 22
A 235 L CD2 44.5 28.6 37.5 21 A 235 L C 42.9 24.3 37.4 19 A 235 L O
43.6 23.9 38.2 21 A 236 N N 41.5 24.2 37.5 20 A 236 N CA 40.9 23.6
38.6 21 A 236 N CB 39.4 23.5 38.5 23 A 236 N CG 38.7 24.9 38.6 26 A
236 N OD1 39.2 25.8 39.3 27 A 236 N ND2 37.5 25.0 38.1 26 A 236 N C
41.4 22.1 38.7 20 A 236 N O 41.8 21.6 39.8 20 A 237 H N 41.4 21.4
37.6 18 A 237 H CA 41.8 20.1 37.5 17 A 237 H CB 41.6 19.5 36.1 18 A
237 H CG 40.2 19.0 35.9 20 A 237 H CD2 39.1 19.7 35.6 21 A 237 H
ND1 39.8 17.7 35.9 21 A 237 H CE1 38.5 17.6 35.7 23 A 237 H NE2
38.0 18.8 35.5 22 A 237 H C 43.3 19.9 37.9 16 A 237 H O 43.6 19.0
38.6 17 A 238 I N 44.2 20.7 37.3 16 A 238 I CA 45.6 20.6 37.6 14 A
238 I CB 46.4 21.7 36.8 13 A 238 I CG2 47.8 21.7 37.3 13 A 238 I
CG1 46.3 21.4 35.3 14 A 238 I CD1 46.8 22.5 34.4 15 A 238 I C 45.9
20.8 39.1 16 A 238 I O 46.6 20.0 39.7 17 A 239 L N 45.3 21.9 39.7
16 A 239 L CA 45.5 22.1 41.2 17 A 239 L CB 45.0 23.5 41.5 17 A 239
L CG 45.7 24.7 40.8 20 A 239 L CD1 45.0 26.0 41.2 21 A 239 L CD2
47.2 24.7 41.2 21 A 239 L C 44.9 21.1 42.1 17 A 239 L O 45.3 20.9
43.2 18 A 240 G N 43.8 20.4 41.6 17 A 240 G CA 43.2 19.4 42.3 18 A
240 G C 44.1 18.2 42.6 18 A 240 G O 43.9 17.5 43.5 20 A 241 I N
45.0 18.0 41.7 19 A 241 I CA 46.0 16.9 41.8 18 A 241 I CB 46.2 16.2
40.4 17 A 241 I CG2 47.4 15.2 40.5 18 A 241 I CG1 44.9 15.4 40.1 19
A 241 I CD1 44.9 14.7 38.7 21 A 241 I C 47.3 17.3 42.4 18 A 241 I O
47.9 16.6 43.2 18 A 242 L N 47.9 18.4 41.9 17 A 242 L CA 49.2 18.9
42.4 17 A 242 L CB 49.8 19.9 41.4 17 A 242 L CG 50.4 19.4 40.1 19 A
242 L CD1 49.5 18.6 39.2 24 A 242 L CD2 51.1 20.6 39.3 18 A 242 L C
49.1 19.6 43.7 17 A 242 L O 50.1 19.6 44.5 17 A 243 G N 47.9 20.1
44.1 17 A 243 G CA 47.7 20.7 45.4 17 A 243 G C 48.1 22.2 45.3 18 A
243 G O 48.5 22.7 44.2 19 A 244 S N 48.0 22.9 46.4 16 A 244 S CA
48.3 24.4 46.4 16 A 244 S CB 48.0 25.0 47.8 16 A 244 S OG 46.6 24.8
48.1 19 A 244 S C 49.8 24.6 46.1 18 A 244 S O 50.7 23.9 46.6 18 A
245 P N 50.1 25.6 45.3 18 A 245 P CD 49.2 26.4 44.5 19 A 245 P CA
51.5 25.9 45.0 18 A 245 P CB 51.4 27.0 44.0 20 A 245 P CG 50.1 26.7
43.3 21 A 245 P C 52.3 26.4 46.3 18 A 245 P O 51.7 27.1 47.1 18 A
246 S N 53.6 26.2 46.3 19 A 246 S CA 54.4 26.6 47.5 20 A 246 S CB
55.8 25.9 47.4 21 A 246 S OG 56.5 26.4 46.3 21 A 246 S C 54.6 28.1
47.5 21 A 246 S O 54.3 28.8 46.5 19 A 247 Q N 55.0 28.6 48.6 24 A
247 Q CA 55.3 30.0 48.7 26 A 247 Q CB 55.7 30.4 50.2 28 A 247 Q CG
56.2 31.8 50.3 30 A 247 Q CD 56.5 32.2 51.7 33 A 247 Q OE1 55.7
32.2 52.6 34 A 247 Q NE2 57.8 32.5 52.0 34 A 247 Q C 56.3 30.5 47.7
26 A 247 Q O 56.2 31.6 47.1 26 A 248 E N 57.3 29.7 47.5 27 A 248 E
CA 58.4 30.0 46.6 28 A 248 E CB 59.5 29.0 46.6 30 A 248 E CG 60.7
29.3 45.8 34 A 248 E CD 61.9 28.3 46.0 36 A 248 E OE1 61.7 27.2
45.6 37 A 248 E OE2 62.9 28.7 46.5 38 A 248 E C 57.8 30.1 45.2 28 A
248 E O 58.2 31.0 44.4 28 A 249 D N 57.0 29.2 44.8 27 A 249 D CA
56.4 29.2 43.5 26 A 249 D CB 55.7 27.9 43.2 26 A 249 D CG 56.7 26.7
42.9 24 A 249 D OD1 57.9 27.0 42.9 25 A 249 D OD2 56.2 25.6 42.8 26
A 249 D C 55.4 30.3 43.3 27 A 249 D O 55.3 30.9 42.2 26 A 250 L N
54.8 30.7 44.4 28 A 250 L CA 53.8 31.9 44.3 30 A 250 L CB 53.0 32.0
45.6 31 A 250 L CG 51.7 31.2 45.6 31 A 250 L CD1 51.0 31.4 46.9 33
A 250 L CD2 50.8 31.7 44.5 32 A 250 L C 54.6 33.2 44.1 32 A 250 L O
54.2 34.1 43.4 31 A 251 N N 55.8 33.2 44.7 33 A 251 N CA 56.7 34.4
44.6 35 A 251 N CB 57.9 34.3 45.5 37 A 251 N CG 57.5 34.4 47.0 38 A
251 N OD1 56.4 35.0 47.3 39 A 251 N ND2 58.3 34.0 47.9 39 A 251 N C
57.2 34.5 43.1 35 A 251 N O 57.6 35.6 42.7 35 A 252 C N 57.2 33.4
42.4 34 A 252 C CA 57.7 33.5 41.0 34 A 252 C CB 58.2 32.1 40.6 34 A
252 C SG 59.8 31.6 41.3 36 A 252 C C 56.6 34.0 40.1 33 A 252 C O
56.9 34.2 38.9 33 A 253 I N 55.4 34.1 40.6 31 A 253 I CA 54.3 34.6
39.8 32 A 253 I CB 53.0 34.1 40.3 34 A 253 I CG2 51.8 35.1 40.1 34
A 253 I CG1 52.6 32.8 39.7 37 A 253 I CD1 53.7 31.7 39.8 38 A 253 I
C 54.4 36.2 40.0 32 A 253 I O 54.3 36.7 41.1 34 A 254 I N 54.5 36.9
38.9 29 A 254 I CA 54.6 38.3 38.9 29 A 254 I CB 55.6 38.9 37.9 30 A
254 I CG2 57.0 38.2 38.1 32 A 254 I CG1 55.1 38.6 36.5 30 A 254 I
CD1 56.0 39.2 35.4 32 A 254 I C 53.3 39.0 38.7 26 A 254 I O 53.2
40.2 39.0 27 A 255 N N 52.2 38.4 38.2 23 A 255 N CA 51.0 39.0 37.9
19 A 255 N CB 50.1 38.3 36.9 18 A 255 N CG 50.6 38.5 35.5 22 A 255
N OD1 51.1 39.5 35.1 20 A 255 N ND2 50.3 37.5 34.7 20 A 255 N C
50.2 39.2 39.2 18 A 255 N O 50.0 38.2 39.9 16 A 256 L N 49.7 40.4
39.5 16 A 256 L CA 48.9 40.7 40.7 16 A 256 L CB 48.6 42.2 40.7 16 A
256 L CG 47.5 42.6 41.7 17 A 256 L CD1 48.0 42.5 43.1 18 A 256 L
CD2 47.2 44.1 41.4 19 A 256 L C 47.6 39.8 40.7 15 A 256 L O 47.3
39.3 41.8 15 A 257 K N 46.9 39.8 39.6 15 A
257 K CA 45.7 39.0 39.5 14 A 257 K CB 45.0 39.2 38.2 16 A 257 K CG
44.5 40.7 38.0 22 A 257 K CD 43.8 40.8 36.6 23 A 257 K CE 43.3 42.2
36.3 25 A 257 K NZ 42.5 42.2 35.1 25 A 257 K C 45.9 37.5 39.7 13 A
257 K O 45.0 36.8 40.3 14 A 258 A N 47.0 37.0 39.2 14 A 258 A CA
47.2 35.5 39.4 14 A 258 A CB 48.4 35.1 38.4 14 A 258 A C 47.6 35.2
40.8 15 A 258 A O 47.1 34.2 41.4 13 A 259 R N 48.4 36.0 41.4 14 A
259 R CA 48.8 35.9 42.8 15 A 259 R CB 49.8 36.9 43.2 19 A 259 R CG
50.1 36.9 44.7 25 A 259 R CD 51.2 38.0 45.1 31 A 259 R NE 52.5 37.7
44.5 36 A 259 R CZ 53.3 36.8 45.0 40 A 259 R NH1 52.9 36.0 46.0 42
A 259 R NH2 54.5 36.5 44.4 41 A 259 R C 47.6 35.9 43.7 15 A 259 R O
47.3 35.0 44.6 15 A 260 N N 46.7 37.0 43.5 14 A 260 N CA 45.5 37.1
44.3 14 A 260 N CB 44.8 38.4 43.9 14 A 260 N CG 45.4 39.7 44.4 17 A
260 N OD1 46.4 39.6 45.2 18 A 260 N ND2 45.0 40.8 43.9 18 A 260 N C
44.6 35.9 44.2 13 A 260 N O 44.1 35.4 45.2 14 A 261 Y N 44.4 35.4
43.0 13 A 261 Y CA 43.6 34.2 42.7 13 A 261 Y CB 43.5 33.9 41.2 14 A
261 Y CG 42.7 32.7 41.0 14 A 261 Y CD1 41.3 32.7 41.3 15 A 261 Y
CE1 40.5 31.5 41.1 17 A 261 Y CD2 43.2 31.5 40.5 16 A 261 Y CE2
42.5 30.3 40.4 15 A 261 Y CZ 41.1 30.4 40.7 15 A 261 Y OH 40.3 29.2
40.6 19 A 261 Y C 44.1 33.0 43.5 12 A 261 Y O 43.3 32.4 44.2 13 A
262 L N 45.4 32.7 43.4 12 A 262 L CA 45.9 31.5 44.1 12 A 262 L CB
47.4 31.3 43.6 13 A 262 L CG 47.5 30.9 42.1 14 A 262 L CD1 49.0
30.9 41.7 16 A 262 L CD2 46.9 29.5 41.9 17 A 262 L C 45.8 31.7 45.6
14 A 262 L O 45.5 30.7 46.3 15 A 263 L N 46.1 32.9 46.1 12 A 263 L
CA 46.0 33.1 47.6 14 A 263 L CB 46.6 34.5 47.9 15 A 263 L CG 48.1
34.6 47.7 18 A 263 L CD1 48.5 36.1 48.0 20 A 263 L CD2 48.8 33.7
48.7 20 A 263 L C 44.6 33.0 48.1 15 A 263 L O 44.4 32.7 49.3 17 A
264 S N 43.6 33.2 47.2 16 A 264 S CA 42.2 33.1 47.6 15 A 264 S CB
41.3 33.9 46.7 15 A 264 S OG 41.1 33.2 45.5 16 A 264 S C 41.6 31.7
47.8 15 A 264 S O 40.5 31.5 48.3 15 A 265 L N 42.3 30.7 47.2 14 A
265 L CA 41.8 29.4 47.3 15 A 265 L CB 42.5 28.6 46.1 14 A 265 L CG
42.3 29.0 44.7 14 A 265 L CD1 43.2 28.2 43.7 14 A 265 L CD2 40.8
28.8 44.3 16 A 265 L C 42.1 28.6 48.6 16 A 265 L O 43.1 28.9 49.3
16 A 266 P N 41.2 27.7 49.0 16 A 266 P CD 39.8 27.5 48.4 16 A 266 P
CA 41.4 27.0 50.2 16 A 266 P CB 40.1 26.1 50.3 17 A 266 P CG 39.1
27.0 49.7 19 A 266 P C 42.6 26.1 50.0 17 A 266 P O 42.9 25.7 48.8
17 A 267 H N 43.4 25.8 51.1 18 A 267 H CA 44.5 24.9 50.9 20 A 267 H
CB 45.2 24.8 52.3 21 A 267 H CG 46.4 23.8 52.3 23 A 267 H CD2 47.4
23.6 51.4 25 A 267 H ND1 46.6 22.9 53.3 27 A 267 H CE1 47.7 22.2
53.0 25 A 267 H NE2 48.1 22.6 51.9 26 A 267 H C 44.1 23.5 50.4 22 A
267 H O 43.1 23.0 50.9 24 A 268 K N 44.9 23.0 49.5 22 A 268 K CA
44.6 21.7 48.9 24 A 268 K CB 44.1 21.8 47.5 26 A 268 K CG 43.9 20.5
46.8 29 A 268 K CD 42.7 19.8 47.3 30 A 268 K CE 42.3 18.5 46.5 30 A
268 K NZ 43.5 17.6 46.3 30 A 268 K C 45.9 20.8 48.9 24 A 268 K O
47.0 21.3 48.6 23 A 269 N N 45.8 19.6 49.4 25 A 269 N CA 47.0 18.7
49.5 26 A 269 N CB 46.8 17.7 50.6 28 A 269 N CG 47.2 18.3 51.9 29 A
269 N OD1 48.3 18.8 52.1 30 A 269 N ND2 46.3 18.3 52.9 30 A 269 N C
47.1 17.9 48.2 26 A 269 N O 46.2 17.6 47.5 26 A 270 K N 48.4 17.6
47.8 28 A 270 K CA 48.7 16.9 46.6 29 A 270 K CB 50.3 16.9 46.5 30 A
270 K CG 50.8 16.1 45.3 33 A 270 K CD 52.3 16.1 45.3 34 A 270 K CE
52.9 15.4 44.1 35 A 270 K NZ 52.7 16.1 42.8 33 A 270 K C 48.2 15.5
46.7 28 A 270 K O 48.3 14.8 47.7 29 A 271 V N 47.8 14.9 45.5 28 A
271 V CA 47.3 13.6 45.4 27 A 271 V CB 46.2 13.4 44.4 27 A 271 V CG1
45.7 12.0 44.3 27 A 271 V CG2 45.0 14.3 44.8 27 A 271 V C 48.5 12.7
44.9 27 A 271 V O 49.0 12.9 43.8 27 A 272 P N 48.9 11.7 45.7 26 A
272 P CD 48.4 11.3 47.0 26 A 272 P CA 50.0 10.8 45.4 25 A 272 P CB
50.0 9.8 46.5 25 A 272 P CG 49.5 10.6 47.6 27 A 272 P C 49.9 10.2
44.0 23 A 272 P O 48.8 9.7 43.6 23 A 273 W N 51.0 10.2 43.2 23 A
273 W CA 50.9 9.6 41.9 23 A 273 W CB 52.2 9.8 41.2 22 A 273 W CG
52.6 11.2 40.9 22 A 273 W CD2 51.8 12.1 40.0 20 A 273 W CE2 52.5
13.4 40.0 19 A 273 W CE3 50.7 12.0 39.2 21 A 273 W CD1 53.6 12.0
41.4 20 A 273 W NE1 53.5 13.2 40.9 22 A 273 W CZ2 52.0 14.5 39.3 21
A 273 W CZ3 50.2 13.1 38.5 23 A 273 W CH2 50.9 14.3 38.6 19 A 273 W
C 50.6 8.1 42.0 23 A 273 W O 49.9 7.6 41.1 23 A 274 N N 51.1 7.4
43.0 25 A 274 N CA 50.8 6.0 43.2 27 A 274 N CB 51.7 5.4 44.3 30 A
274 N CG 51.6 6.2 45.6 31 A 274 N OD1 50.6 6.3 46.2 34 A 274 N ND2
52.7 6.8 46.0 36 A 274 N C 49.4 5.7 43.5 29 A 274 N O 48.9 4.6 43.3
29 A 275 R N 48.6 6.7 44.0 30 A 275 R CA 47.2 6.5 44.3 32 A 275 R
CB 46.7 7.5 45.3 36 A 275 R CG 47.4 7.4 46.7 43 A 275 R CD 46.8 8.4
47.7 49 A 275 R NE 45.4 8.2 47.9 54 A 275 R CZ 44.6 8.9 48.7 56 A
275 R NH1 45.2 9.9 49.3 57 A 275 R NH2 43.3 8.7 48.8 57 A 275 R C
46.4 6.6 43.0 30 A 275 R O 45.4 5.9 42.8 31 A 276 L N 46.9 7.5 42.1
28 A 276 L CA 46.2 7.7 40.8 26 A 276 L CB 46.6 9.0 40.2 27 A 276 L
CG 45.9 10.3 40.8 28 A 276 L CD1 46.7 11.5 40.3 28 A 276 L CD2 44.5
10.3 40.3 29 A 276 L C 46.6 6.6 39.8 24 A 276 L O 45.8 6.2 39.0 25
A 277 F N 47.8 6.1 39.9 24 A 277 F CA 48.3 5.0 39.1 24 A 277 F CB
49.4 5.6 38.1 24 A 277 F CG 48.9 6.8 37.3 21 A 277 F CD1 47.9 6.6
36.3 22 A 277 F CD2 49.3 8.1 37.6 21 A 277 F CE1 47.5 7.7 35.6 23 A
277 F CE2 48.8 9.2 36.9 22 A 277 F CZ 47.9 9.0 35.9 21 A 277 F C
49.0 3.9 39.9 24 A 277 F O 50.2 3.8 39.9 24 A 278 P N 48.1 3.1 40.6
25 A 278 P CD 46.7 3.2 40.6 26 A 278 P CA 48.6 2.1 41.5 26 A 278 P
CB 47.4 1.6 42.3 26 A 278 P CG 46.3 1.8 41.2 26 A 278 P C 49.3 0.9
40.8 27 A 278 P O 50.0 0.1 41.4 28 A 279 N N 49.1 0.8 39.5 28 A 279
N CA 49.7 -0.3 38.7 28 A 279 N CB 48.7 -1.0 37.8 30 A 279 N CG 47.5
-1.6 38.6 32 A 279 N OD1 46.4 -1.7 38.1 34 A 279 N ND2 47.8 -1.9
39.9 33 A 279 N C 50.9 0.1 37.9 27 A 279 N O 51.5 -0.7 37.1 28 A
280 A N 51.3 1.4 38.0 26 A 280 A CA 52.4 1.9 37.1 25 A 280 A CB
52.2 3.4 36.9 24 A 280 A C 53.8 1.7 37.7 24 A 280 A O 54.0 1.5 38.9
24 A 281 D N 54.8 1.6 36.8 23 A 281 D CA 56.2 1.4 37.2 23 A 281 D
CB 57.0 1.4 35.9 26 A 281 D CG 58.5 1.1 36.2 30 A 281 D OD1 59.1
1.8 37.0 32 A 281 D OD2 59.0 0.1 35.7 34 A 281 D C 56.6 2.7 38.1 23
A 281 D O 56.3 3.8 37.7 22 A 282 S N 57.3 2.4 39.1 20 A 282 S CA
57.7 3.5 40.0 21 A 282 S CB 58.4 3.0 41.3 23 A 282 S OG 59.7 2.4
40.9 27 A 282 S C 58.6 4.6 39.3 20 A 282 S O 58.5 5.8 39.5 19 A 283
K N 59.5 4.1 38.4 19 A 283 K CA 60.4 5.0 37.7 19 A 283 K CB 61.4
4.2 36.9 19 A 283 K CG 62.5 3.6 37.8 22 A 283 K CD 63.5 2.8 37.0 24
A 283 K CE 64.6 2.2 37.9 27 A 283 K NZ 65.5 1.3 37.2 28 A 283 K C
59.6 5.9 36.7 18 A 283 K O 59.9 7.1 36.5 17 A 284 A N 58.5 5.3 36.1
17 A 284 A CA 57.6 6.1 35.2 17 A 284 A CB 56.6 5.2 34.6 17 A 284 A
C 57.0 7.2 36.0 18 A 284 A O 56.8 8.3 35.5 17 A 285 L N 56.5 6.9
37.2 17 A 285 L CA 55.8 7.9 38.0 16 A 285 L CB 55.1 7.3 39.2 17 A
285 L CG 54.0 6.3 38.9 16 A 285 L CD1 53.3 5.8 40.2 18 A 285 L CD2
53.0 7.0 38.0 18 A 285 L C 56.8 9.0 38.5 15 A 285 L O 56.4 10.2
38.7 17 A 286 D N 58.1 8.7 38.7 16 A 286 D CA 59.0 9.7 39.1 16 A
286 D CB 60.4 9.0 39.5 18 A 286 D CG 61.4 10.0 40.1 20 A 286 D OD1
62.2 10.5 39.3 20 A 286 D OD2 61.3 10.3 41.3 24 A 286 D C 59.3 10.7
38.0 16 A 286 D O 59.4 11.9 38.2 16 A 287 L N 59.3 10.1 36.8 15 A
287 L CA 59.5 11.0 35.6 15 A 287 L CB 59.9 10.2 34.3 14 A 287 L CG
60.0 10.9 33.0 14 A
287 L CD1 61.0 12.1 33.2 14 A 287 L CD2 60.6 10.0 32.0 13 A 287 L C
58.3 11.9 35.4 15 A 287 L O 58.4 13.0 35.0 15 A 288 L N 57.1 11.2
35.6 15 A 288 L CA 55.8 12.0 35.4 14 A 288 L CB 54.7 11.0 35.7 14 A
288 L CG 53.2 11.6 35.5 13 A 288 L CD1 53.0 12.1 34.1 13 A 288 L
CD2 52.2 10.6 36.0 14 A 288 L C 55.8 13.2 36.3 15 A 288 L O 55.4
14.3 36.0 14 A 289 D N 56.2 12.9 37.6 14 A 289 D CA 56.2 14.0 38.6
15 A 289 D CB 56.8 13.5 39.9 17 A 289 D CG 56.8 14.5 41.0 18 A 289
D OD1 55.7 15.0 41.4 20 A 289 D OD2 57.9 14.9 41.4 22 A 289 D C
57.1 15.2 38.1 15 A 289 D O 56.7 16.4 38.3 15 A 290 K N 58.2 14.9
37.6 14 A 290 K CA 59.2 16.0 37.1 15 A 290 K CB 60.5 15.4 36.8 15 A
290 K CG 61.2 14.9 38.1 19 A 290 K CD 62.6 14.2 37.9 20 A 290 K CE
63.4 14.0 39.1 22 A 290 K NZ 62.6 13.2 40.2 24 A 290 K C 58.7 16.7
35.8 13 A 290 K O 59.0 17.9 35.7 15 A 291 M N 57.9 16.0 35.0 14 A
291 M CA 57.3 16.7 33.8 13 A 291 M CB 56.9 15.6 32.8 14 A 291 M CG
58.1 14.9 32.2 15 A 291 M SD 57.6 13.7 30.9 22 A 291 M CE 58.3 14.5
29.5 24 A 291 M C 56.1 17.5 34.2 13 A 291 M O 55.9 18.6 33.6 15 A
292 L N 55.3 17.0 35.2 13 A 292 L CA 54.1 17.8 35.6 13 A 292 L CB
53.0 16.8 35.8 12 A 292 L CG 52.5 16.0 34.6 12 A 292 L CD1 51.3
15.2 34.9 13 A 292 L CD2 52.2 17.1 33.5 13 A 292 L C 54.4 18.6 36.8
15 A 292 L O 53.7 18.5 37.8 19 A 293 T N 55.5 19.4 36.8 14 A 293 T
CA 55.9 20.2 37.9 14 A 293 T CB 57.4 20.4 37.9 16 A 293 T OG1 58.0
19.1 38.3 20 A 293 T CG2 57.9 21.5 38.8 19 A 293 T C 55.2 21.6 37.6
14 A 293 T O 55.3 22.1 36.5 14 A 294 F N 54.6 22.2 38.7 14 A 294 F
CA 53.9 23.5 38.6 14 A 294 F CB 53.3 23.8 39.9 15 A 294 F CG 52.6
25.1 39.9 16 A 294 F CD1 51.3 25.2 39.5 16 A 294 F CD2 53.2 26.3
40.3 17 A 294 F CE1 50.5 26.4 39.4 17 A 294 F CE2 52.5 27.5 40.3 17
A 294 F CZ 51.1 27.5 39.9 15 A 294 F C 54.8 24.6 38.0 14 A 294 F O
54.4 25.3 37.1 15 A 295 N N 55.9 24.9 38.7 15 A 295 N CA 56.8 26.0
38.3 15 A 295 N CB 57.8 26.3 39.4 17 A 295 N CG 58.6 27.6 39.2 20 A
295 N OD1 58.8 28.0 38.0 20 A 295 N ND2 59.1 28.2 40.3 21 A 295 N C
57.6 25.6 37.0 14 A 295 N O 58.4 24.7 37.0 14 A 296 P N 57.3 26.3
35.9 14 A 296 P CD 56.5 27.5 35.6 15 A 296 P CA 58.0 25.9 34.6 16 A
296 P CB 57.4 26.8 33.6 16 A 296 P CG 57.1 28.1 34.4 18 A 296 P C
59.6 26.0 34.7 16 A 296 P O 60.3 25.3 34.0 18 A 297 H N 60.0 26.9
35.7 17 A 297 H CA 61.5 27.0 35.8 20 A 297 H CB 61.8 28.3 36.6 23 A
297 H CG 61.4 29.6 36.0 27 A 297 H CD2 62.1 30.5 35.2 29 A 297 H
ND1 60.1 30.0 36.0 30 A 297 H CE1 60.0 31.1 35.3 30 A 297 H NE2
61.2 31.4 34.8 30 A 297 H C 62.1 25.8 36.5 20 A 297 H O 63.3 25.6
36.4 22 A 298 K N 61.3 25.0 37.2 18 A 298 K CA 61.8 23.9 37.9 18 A
298 K CB 61.2 23.8 39.3 18 A 298 K CG 61.5 24.9 40.2 22 A 298 K CD
60.8 24.7 41.6 23 A 298 K CE 61.1 25.9 42.5 26 A 298 K NZ 60.3 25.7
43.8 27 A 298 K C 61.5 22.6 37.1 17 A 298 K O 61.9 21.5 37.5 18 A
299 R N 60.7 22.7 36.1 15 A 299 R CA 60.3 21.6 35.3 14 A 299 R CB
59.1 22.0 34.3 14 A 299 R CG 58.3 20.9 33.6 13 A 299 R CD 57.2 21.5
32.8 11 A 299 R NE 56.3 22.2 33.7 13 A 299 R CZ 55.5 23.3 33.3 12 A
299 R NH1 55.6 23.7 32.1 12 A 299 R NH2 54.8 23.9 34.2 12 A 299 R C
61.4 21.0 34.5 13 A 299 R O 62.3 21.7 34.0 14 A 300 I N 61.5 19.7
34.4 13 A 300 I CA 62.6 19.0 33.7 14 A 300 I CB 62.4 17.4 33.9 14 A
300 I CG2 61.2 16.9 33.1 15 A 300 I CG1 63.7 16.7 33.5 16 A 300 I
CD1 63.6 15.2 33.9 18 A 300 I C 62.6 19.3 32.2 14 A 300 I O 61.6
19.5 31.6 14 A 301 E N 63.8 19.5 31.6 12 A 301 E CA 64.0 19.8 30.2
12 A 301 E CB 65.2 20.7 30.0 14 A 301 E CG 65.2 22.0 30.7 17 A 301
E CD 66.1 23.1 30.1 22 A 301 E OE1 67.0 22.7 29.4 24 A 301 E OE2
65.8 24.3 30.3 26 A 301 E C 64.1 18.5 29.4 13 A 301 E O 64.4 17.4
30.0 12 A 302 V N 64.0 18.6 28.1 12 A 302 V CA 64.0 17.4 27.3 11 A
302 V CB 63.7 17.7 25.8 11 A 302 V CG1 64.9 18.5 25.2 13 A 302 V
CG2 63.4 16.5 25.0 13 A 302 V C 65.2 16.5 27.4 11 A 302 V O 65.1
15.3 27.4 12 A 303 E N 66.4 17.1 27.5 13 A 303 E CA 67.6 16.2 27.6
14 A 303 E CB 68.9 17.1 27.4 15 A 303 E CG 69.1 17.6 26.0 20 A 303
E CD 70.2 18.6 25.8 23 A 303 E OE1 70.1 19.6 26.5 27 A 303 E OE2
71.0 18.4 24.9 27 A 303 E C 67.7 15.5 28.9 15 A 303 E O 68.2 14.4
29.0 15 A 304 Q N 67.2 16.2 30.0 14 A 304 Q CA 67.1 15.6 31.3 14 A
304 Q CB 66.7 16.6 32.3 16 A 304 Q CG 67.7 17.6 32.7 14 A 304 Q CD
67.1 18.6 33.7 17 A 304 Q OE1 66.2 19.4 33.3 17 A 304 Q NE2 67.5
18.6 34.9 17 A 304 Q C 66.2 14.4 31.3 15 A 304 Q O 66.4 13.4 32.0
15 A 305 A N 65.0 14.6 30.6 13 A 305 A CA 64.0 13.5 30.6 13 A 305 A
CB 62.8 14.1 29.9 12 A 305 A C 64.6 12.3 29.9 14 A 305 A O 64.4
11.2 30.3 14 A 306 L N 65.3 12.5 28.8 12 A 306 L CA 65.9 11.4 28.1
13 A 306 L CB 66.6 11.9 26.8 13 A 306 L CG 65.7 12.2 25.6 12 A 306
L CD1 66.5 13.1 24.6 13 A 306 L CD2 65.2 10.9 25.0 13 A 306 L C
66.9 10.6 28.9 13 A 306 L O 67.0 9.4 28.8 14 A 307 A N 67.6 11.3
29.8 14 A 307 A CA 68.5 10.7 30.7 14 A 307 A CB 69.6 11.7 31.1 15 A
307 A C 68.0 10.1 32.0 15 A 307 A O 68.7 9.6 32.9 17 A 308 H N 66.6
10.2 32.2 16 A 308 H CA 66.0 9.7 33.4 16 A 308 H CB 64.5 10.1 33.4
15 A 308 H CG 63.8 9.8 34.7 15 A 308 H CD2 63.6 10.6 35.8 16 A 308
H ND1 63.3 8.6 35.0 15 A 308 H CE1 62.8 8.6 36.2 14 A 308 H NE2
62.9 9.8 36.7 16 A 308 H C 66.1 8.2 33.4 16 A 308 H O 66.0 7.5 32.4
16 A 309 P N 66.2 7.6 34.7 17 A 309 P CD 66.4 8.2 35.9 17 A 309 P
CA 66.2 6.1 34.8 17 A 309 P CB 66.2 5.9 36.3 18 A 309 P CG 66.9 7.1
36.8 18 A 309 P C 65.2 5.3 34.1 17 A 309 P O 65.4 4.2 33.6 18 A 310
Y N 63.9 5.8 33.9 16 A 310 Y CA 62.9 5.1 33.3 15 A 310 Y CB 61.6
5.9 33.3 15 A 310 Y CG 60.4 5.2 32.6 16 A 310 Y CD1 59.9 4.0 33.1
16 A 310 Y CE1 58.8 3.3 32.5 17 A 310 Y CD2 59.7 5.8 31.6 15 A 310
Y CE2 58.6 5.2 31.0 16 A 310 Y CZ 58.2 3.9 31.5 16 A 310 Y OH 57.1
3.3 30.9 18 A 310 Y C 63.2 4.8 31.8 15 A 310 Y O 62.8 3.7 31.3 17 A
311 L N 64.0 5.6 31.2 16 A 311 L CA 64.4 5.4 29.8 15 A 311 L CB
64.2 6.7 29.0 16 A 311 L CG 62.7 7.3 29.0 15 A 311 L CD1 62.7 8.7
28.4 17 A 311 L CD2 61.8 6.4 28.3 16 A 311 L C 65.8 5.0 29.6 17 A
311 L O 66.3 5.0 28.4 17 A 312 E N 66.5 4.6 30.7 18 A 312 E CA 67.9
4.2 30.6 19 A 312 E CB 68.4 3.7 32.0 23 A 312 E CG 67.7 2.5 32.5 27
A 312 E CD 67.9 2.2 34.0 30 A 312 E OE1 69.1 2.3 34.4 32 A 312 E
OE2 67.0 1.9 34.7 33 A 312 E C 68.3 3.1 29.6 19 A 312 E O 69.4 3.1
29.1 20 A 313 Q N 67.3 2.2 29.2 19 A 313 Q CA 67.6 1.2 28.3 21 A
313 Q CB 66.6 0.1 28.3 22 A 313 Q CG 65.2 0.5 27.8 23 A 313 Q CD
64.2 -0.6 27.9 25 A 313 Q OE1 64.3 -1.7 27.2 27 A 313 Q NE2 63.2
-0.5 28.8 25 A 313 Q C 67.8 1.7 26.8 21 A 313 Q O 68.4 1.0 26.0 22
A 314 Y N 67.2 2.9 26.6 18 A 314 Y CA 67.2 3.4 25.2 18 A 314 Y CB
65.8 3.9 24.8 17 A 314 Y CG 64.9 2.7 24.6 17 A 314 Y CD1 65.1 1.7
23.7 17 A 314 Y CE1 64.3 0.6 23.6 19 A 314 Y CD2 63.7 2.6 25.4 17 A
314 Y CE2 62.9 1.5 25.4 17 A 314 Y CZ 63.2 0.5 24.4 18 A 314 Y OH
62.3 -0.6 24.4 19 A 314 Y C 68.2 4.6 25.1 16 A 314 Y O 68.7 4.9
24.0 17 A 315 Y N 68.4 5.3 26.2 16 A 315 Y CA 69.3 6.5 26.2 15 A
315 Y CB 69.5 7.0 27.7 17 A 315 Y CG 70.2 8.3 27.8 17 A 315 Y CD1
69.8 9.4 27.1 16 A 315 Y CE1 70.5 10.6 27.3 18 A 315 Y CD2 71.2 8.4
28.8 18 A 315 Y CE2 71.9 9.6 29.0 19 A 315 Y CZ 71.5 10.7 28.2 17 A
315 Y OH 72.1 11.9 28.4 22 A 315 Y C 70.7 6.4 25.5 15 A 315 Y O
71.4 5.5 25.9 17 A 316 D N 70.9 7.2 24.6 13 A 316 D CA 72.2 7.2
23.8 13 A 316 D CB 72.2 6.1 22.8 15 A 316 D CG 73.5 6.1 22.0 17
A
316 D OD1 74.4 6.9 22.3 16 A 316 D OD2 73.7 5.2 21.1 19 A 316 D C
72.3 8.6 23.1 13 A 316 D O 71.8 8.8 22.0 13 A 317 P N 72.9 9.6 23.8
14 A 317 P CD 73.5 9.5 25.1 14 A 317 P CA 73.1 10.9 23.2 16 A 317 P
CB 74.0 11.6 24.2 17 A 317 P CG 73.7 11.0 25.5 18 A 317 P C 73.6
11.0 21.8 16 A 317 P O 73.3 11.9 21.0 15 A 318 S N 74.5 10.1 21.5
15 A 318 S CA 75.1 10.0 20.1 16 A 318 S CB 76.4 9.1 20.1 15 A 318 S
OG 76.0 7.7 20.1 16 A 318 S C 74.2 9.6 19.1 15 A 318 S O 74.4 9.7
17.9 16 A 319 D N 73.0 9.0 19.5 14 A 319 D CA 72.0 8.5 18.5 14 A
319 D CB 71.7 7.0 18.8 15 A 319 D CG 70.9 6.4 17.7 17 A 319 D OD1
71.0 6.8 16.5 17 A 319 D OD2 70.1 5.5 18.0 20 A 319 D C 70.7 9.3
18.7 14 A 319 D O 69.6 8.9 18.4 14 A 320 E N 70.8 10.5 19.3 14 A
320 E CA 69.7 11.5 19.5 13 A 320 E CB 69.5 11.6 21.1 14 A 320 E CG
68.8 10.3 21.6 14 A 320 E CD 69.1 10.0 23.1 15 A 320 E OE1 69.5
11.0 23.8 15 A 320 E OE2 68.8 8.9 23.5 13 A 320 E C 70.2 12.8 18.9
13 A 320 E O 70.6 13.7 19.6 13 A 321 P N 70.1 12.9 17.6 14 A 321 P
CD 69.5 11.9 16.7 14 A 321 P CA 70.6 14.1 16.9 14 A 321 P CB 70.5
13.6 15.4 16 A 321 P CG 69.3 12.7 15.4 16 A 321 P C 69.9 15.4 17.1
15 A 321 P O 68.7 15.5 17.5 14 A 322 I N 70.6 16.5 16.9 14 A 322 I
CA 70.1 17.8 17.0 14 A 322 I CB 71.0 18.7 18.0 15 A 322 I CG2 70.8
18.1 19.4 16 A 322 I CG1 72.4 18.8 17.6 15 A 322 I CD1 73.2 19.8
18.4 18 A 322 I C 70.1 18.5 15.6 14 A 322 I O 70.8 18.0 14.7 15 A
323 A N 69.4 19.6 15.5 14 A 323 A CA 69.3 20.3 14.2 14 A 323 A CB
68.1 21.3 14.3 15 A 323 A C 70.6 21.0 13.8 16 A 323 A O 71.3 21.6
14.5 17 A 324 E N 70.8 21.0 12.5 19 A 324 E CA 72.0 21.6 11.8 22 A
324 E CB 72.3 21.0 10.5 26 A 324 E CG 73.3 21.7 9.7 32 A 324 E CD
73.5 21.1 8.3 35 A 324 E OE1 72.5 21.1 7.5 37 A 324 E OE2 74.6 20.7
8.0 37 A 324 E C 71.7 23.1 11.7 24 A 324 E O 72.6 23.9 11.8 26 A
325 A N 70.5 23.5 11.3 24 A 325 A CA 70.1 24.9 11.1 23 A 325 A CB
69.9 25.1 9.6 24 A 325 A C 68.9 25.4 11.9 23 A 325 A O 67.8 25.4
11.4 22 A 326 P N 69.2 25.8 13.2 22 A 326 P CD 70.4 25.7 13.9 22 A
326 P CA 68.1 26.3 14.0 23 A 326 P CB 68.8 26.5 15.4 22 A 326 P CG
70.0 25.6 15.3 25 A 326 P C 67.5 27.6 13.5 23 A 326 P O 68.2 28.3
12.7 23 A 327 F N 66.3 27.9 13.9 22 A 327 F CA 65.6 29.2 13.5 23 A
327 F CB 64.1 29.0 13.5 22 A 327 F CG 63.6 28.3 12.4 21 A 327 F CD1
63.3 28.9 11.2 21 A 327 F CD2 63.4 26.9 12.4 20 A 327 F CE1 62.8
28.2 10.1 21 A 327 F CE2 62.9 26.2 11.3 20 A 327 F CZ 62.6 26.9
10.1 22 A 327 F C 66.1 30.2 14.6 26 A 327 F O 65.5 30.3 15.7 26 A
328 K N 67.1 30.9 14.3 29 A 328 K CA 67.6 31.9 15.2 31 A 328 K CB
69.1 32.3 14.8 32 A 328 K CG 70.0 31.1 14.8 34 A 328 K CD 71.5 31.6
14.4 35 A 328 K CE 71.5 32.3 13.1 37 A 328 K NZ 71.1 31.4 12.0 37 A
328 K C 66.8 33.2 15.5 32 A 328 K O 66.9 33.8 16.5 33 A 329 F N
66.0 33.6 14.5 33 A 329 F CA 65.2 34.8 14.7 34 A 329 F CB 65.7 35.9
13.7 35 A 329 F CG 67.2 36.1 13.7 37 A 329 F CD1 68.0 35.3 12.9 38
A 329 F CD2 67.7 37.1 14.5 38 A 329 F CE1 69.4 35.4 12.9 39 A 329 F
CE2 69.1 37.3 14.5 39 A 329 F CZ 69.9 36.4 13.7 39 A 329 F C 63.7
34.5 14.5 33 A 329 F O 63.3 33.5 13.8 31 A 330 D N 62.9 35.4 15.0
34 A 330 D CA 61.5 35.3 14.8 35 A 330 D CB 60.7 36.4 15.7 36 A 330
D CG 61.2 36.4 17.1 38 A 330 D OD1 61.1 35.3 17.7 38 A 330 D OD2
61.5 37.5 17.6 39 A 330 D C 61.1 35.5 13.4 35 A 330 D O 61.8 36.3
12.7 35 A 331 M N 60.1 34.9 12.9 36 A 331 M CA 59.7 35.0 11.5 37 A
331 M CB 58.8 33.8 11.1 35 A 331 M CG 59.5 32.5 11.4 33 A 331 M SD
58.5 31.1 10.6 32 A 331 M CE 59.9 29.9 10.4 31 A 331 M C 58.9 36.3
11.2 39 A 331 M O 58.8 36.7 10.1 39 A 332 E N 58.4 36.9 12.3 41 A
332 E CA 57.7 38.2 12.2 43 A 332 E CB 58.7 39.4 12.1 45 A 332 E CG
59.6 39.3 10.9 49 A 332 E CD 60.8 40.2 11.0 51 A 332 E OE1 60.6
41.4 11.2 53 A 332 E OE2 62.0 39.7 10.9 53 A 332 E C 56.7 38.2 11.0
43 A 332 E O 56.8 39.0 10.1 43 A 333 L N 55.6 37.4 11.2 43 A 333 L
CA 54.6 37.3 10.2 43 A 333 L CB 54.3 35.8 9.9 41 A 333 L CG 55.5
34.9 9.5 39 A 333 L CD1 55.0 33.4 9.4 38 A 333 L CD2 56.1 35.3 8.2
38 A 333 L C 53.3 38.0 10.6 45 A 333 L O 52.4 38.2 9.8 45 A 334 D N
53.2 38.2 11.9 47 A 334 D CA 52.0 38.9 12.4 49 A 334 D CB 52.1 39.1
13.9 49 A 334 D CG 53.5 39.6 14.3 51 A 334 D OD1 54.5 39.0 14.1 51
A 334 D OD2 53.5 40.8 14.9 51 A 334 D C 51.7 40.2 11.8 50 A 334 D O
50.5 40.7 11.9 50 A 335 D N 52.6 40.9 11.1 50 A 335 D CA 52.4 42.2
10.5 50 A 335 D CB 53.6 43.1 10.8 52 A 335 D CG 54.9 42.5 10.2 53 A
335 D OD1 56.0 43.2 10.3 53 A 335 D OD2 54.9 41.4 9.7 53 A 335 D C
52.2 42.1 9.0 50 A 335 D O 52.0 43.1 8.4 50 A 336 L N 52.2 40.9 8.5
48 A 336 L CA 52.0 40.7 7.0 46 A 336 L CB 53.0 39.6 6.5 45 A 336 L
CG 54.5 39.7 6.8 45 A 336 L CD1 55.2 38.5 6.3 44 A 336 L CD2 55.0
41.0 6.2 45 A 336 L C 50.6 40.4 6.6 46 A 336 L O 49.9 39.6 7.2 45 A
337 P N 50.1 41.1 5.5 45 A 337 P CD 50.8 42.1 4.8 45 A 337 P CA
48.8 40.9 5.0 44 A 337 P CB 48.5 42.0 4.1 44 A 337 P CG 49.9 42.3
3.6 45 A 337 P C 48.7 39.5 4.3 44 A 337 P O 49.7 39.0 3.8 43 A 338
K N 47.5 38.9 4.3 44 A 338 K CA 47.3 37.6 3.6 44 A 338 K CB 45.8
37.2 3.7 45 A 338 K CG 44.9 38.2 3.1 46 A 338 K CD 43.4 37.7 3.2 48
A 338 K CE 42.4 38.7 2.7 49 A 338 K NZ 42.6 38.8 1.2 51 A 338 K C
47.8 37.6 2.2 43 A 338 K O 48.2 36.6 1.7 43 A 339 E N 47.8 38.8 1.6
42 A 339 E CA 48.3 38.9 0.2 41 A 339 E CB 48.1 40.3 -0.4 42 A 339 E
CG 46.6 40.6 -0.6 43 A 339 E CD 45.8 40.8 0.7 43 A 339 E OE1 46.3
41.6 1.6 43 A 339 E OE2 44.8 40.1 0.8 44 A 339 E C 49.8 38.6 0.1 40
A 339 E O 50.3 37.9 -0.8 39 A 340 K N 50.6 39.2 1.0 38 A 340 K CA
52.0 39.0 1.1 37 A 340 K CB 52.7 40.0 2.0 39 A 340 K CG 54.2 39.8
2.1 42 A 340 K CD 54.8 39.9 0.7 45 A 340 K CE 56.3 39.7 0.8 47 A
340 K NZ 57.0 39.7 -0.5 48 A 340 K C 52.3 37.5 1.5 34 A 340 K O
53.3 36.9 1.1 32 A 341 L N 51.5 37.0 2.4 32 A 341 L CA 51.7 35.7
3.0 30 A 341 L CB 50.8 35.4 4.1 29 A 341 L CG 51.1 36.2 5.4 29 A
341 L CD1 49.9 35.9 6.4 29 A 341 L CD2 52.4 35.7 6.0 30 A 341 L C
51.5 34.6 1.9 29 A 341 L O 52.2 33.6 1.8 28 A 342 K N 50.6 34.9 1.0
29 A 342 K CA 50.3 34.0 -0.1 28 A 342 K CB 49.1 34.4 -1.0 28 A 342
K CG 48.7 33.4 -2.0 27 A 342 K CD 47.5 33.9 -2.8 28 A 342 K CE 47.0
32.9 -3.7 29 A 342 K NZ 48.0 32.4 -4.7 32 A 342 K C 51.6 33.9 -1.0
28 A 342 K O 51.9 32.8 -1.5 27 A 343 E N 52.2 35.0 -1.2 29 A 343 E
CA 53.4 35.1 -2.0 30 A 343 E CB 53.8 36.6 -2.2 33 A 343 E CG 52.8
37.5 -2.9 38 A 343 E CD 53.2 38.9 -3.0 40 A 343 E OE1 54.3 39.2
-3.5 42 A 343 E OE2 52.4 39.8 -2.6 43 A 343 E C 54.6 34.4 -1.4 29 A
343 E O 55.3 33.7 -2.1 28 A 344 L N 54.7 34.5 -0.1 28 A 344 L CA
55.7 33.8 0.6 25 A 344 L CB 55.8 34.2 2.1 25 A 344 L CG 56.1 35.7
2.3 25 A 344 L CD1 56.1 36.0 3.8 26 A 344 L CD2 57.5 36.0 1.7 25 A
344 L C 55.5 32.2 0.6 24 A 344 L O 56.5 31.5 0.4 23 A 345 I N 54.3
31.8 0.6 21 A 345 I CA 53.9 30.4 0.5 21 A 345 I CB 52.4 30.2 0.9 20
A 345 I CG2 51.9 28.8 0.5 19 A 345 I CG1 52.2 30.5 2.4 20 A 345 I
CD1 50.7 30.4 2.8 20 A 345 I C 54.2 29.9 -0.9 21 A 345 I O 54.6
28.8 -1.1 20 A 346 F N 53.9 30.7 -1.9 23 A 346 F CA 54.2 30.4 -3.3
23 A 346 F CB 53.8 31.5 -4.2 23 A 346 F CG 53.9 31.2 -5.7 21 A 346
F CD1 53.0 30.3 -6.3 21 A 346 F CD2 54.9 31.8 -6.5 21 A 346 F CE1
53.1 30.0 -7.7 21 A 346 F CE2 55.0 31.5 -7.8 21 A 346 F CZ 54.1
30.6 -8.4 21 A 346 F C 55.7 30.1 -3.5 24 A 346 F O 56.1 29.1 -4.0
23 A 347 E N 56.5 31.0 -3.0 25 A
347 E CA 58.0 30.9 -3.1 27 A 347 E CB 58.6 32.2 -2.6 29 A 347 E CG
58.2 33.4 -3.4 34 A 347 E CD 58.8 34.7 -2.9 36 A 347 E OE1 58.6
35.1 -1.7 38 A 347 E OE2 59.5 35.3 -3.7 39 A 347 E C 58.6 29.7 -2.3
27 A 347 E O 59.5 29.1 -2.8 27 A 348 E N 58.0 29.4 -1.1 26 A 348 E
CA 58.5 28.3 -0.3 26 A 348 E CB 57.8 28.5 1.1 27 A 348 E CG 58.5
27.7 2.2 30 A 348 E CD 59.9 28.2 2.6 31 A 348 E OE1 60.0 29.4 2.7
31 A 348 E OE2 60.8 27.4 2.8 34 A 348 E C 58.2 27.0 -0.8 26 A 348 E
O 58.8 26.0 -0.5 25 A 349 T N 57.2 26.9 -1.7 25 A 349 T CA 56.8
25.6 -2.3 25 A 349 T CB 55.3 25.4 -2.3 24 A 349 T OG1 54.7 26.5
-3.1 22 A 349 T CG2 54.7 25.5 -0.9 24 A 349 T C 57.3 25.4 -3.7 26 A
349 T O 57.0 24.4 -4.4 26 A 350 A N 58.1 26.3 -4.2 28 A 350 A CA
58.6 26.2 -5.6 31 A 350 A CB 59.4 27.5 -5.9 29 A 350 A C 59.5 25.0
-5.9 33 A 350 A O 59.4 24.5 -7.0 32 A 351 R N 60.3 24.6 -5.0 36 A
351 R CA 61.2 23.5 -5.2 38 A 351 R CB 62.0 23.2 -3.9 42 A 351 R CG
61.1 22.9 -2.7 49 A 351 R CD 61.9 22.3 -1.5 55 A 351 R NE 62.4 21.0
-1.9 60 A 351 R CZ 63.1 20.2 -1.1 63 A 351 R NH1 63.3 20.6 0.2 64 A
351 R NH2 63.5 19.0 -1.5 64 A 351 R C 60.6 22.2 -5.7 38 A 351 R O
61.3 21.3 -6.3 37 A 352 F N 59.3 22.0 -5.5 36 A 352 F CA 58.6 20.8
-5.9 36 A 352 F CB 57.5 20.5 -4.8 34 A 352 F CG 58.1 20.1 -3.5 34 A
352 F CD1 58.8 18.9 -3.3 34 A 352 F CD2 57.9 20.9 -2.4 34 A 352 F
CE1 59.4 18.6 -2.1 34 A 352 F CE2 58.5 20.6 -1.2 34 A 352 F CZ 59.2
19.4 -1.0 34 A 352 F C 58.0 20.9 -7.3 36 A 352 F O 57.4 19.9 -7.7
36 A 353 Q N 58.1 22.0 -7.9 36 A 353 Q CA 57.6 22.2 -9.3 39 A 353 Q
CB 57.4 23.7 -9.6 38 A 353 Q CG 56.3 24.4 -8.8 36 A 353 Q CD 55.0
23.8 -9.1 37 A 353 Q OE1 54.4 23.1 -8.3 36 A 353 Q NE2 54.5 24.1
-10.3 37 A 353 Q C 58.5 21.6 -10.3 41 A 353 Q O 59.7 21.6 -10.3 41
A 354 P N 57.8 20.9 -11.3 42 A 354 P CD 56.4 20.6 -11.4 43 A 354 P
CA 58.6 20.2 -12.4 44 A 354 P CB 57.4 19.7 -13.3 44 A 354 P CG 56.3
19.4 -12.3 44 A 354 P C 59.5 21.2 -13.1 46 A 354 P O 59.0 22.0
-13.9 47 A 355 G N 60.8 21.1 -12.9 48 A 355 G CA 61.7 21.9 -13.6 49
A 355 G C 63.2 21.6 -13.2 50 A 355 G O 63.9 21.2 -14.1 50 A 355 G
OXT 63.5 21.8 -12.0 50 A 1 O OH2 52.7 21.0 23.2 13 W 3 O OH2 65.8
22.1 26.4 16 W 4 O OH2 67.1 13.4 18.6 13 W 5 O OH2 46.2 13.4 29.5
14 W 6 O OH2 63.3 21.1 26.6 13 W 7 O OH2 51.3 22.9 27.6 14 W 8 O
OH2 61.7 14.6 9.3 16 W 9 O OH2 48.0 20.0 22.8 14 W 10 O OH2 60.3
17.1 8.9 19 W 11 O OH2 67.4 19.9 27.4 17 W 12 O OH2 46.6 28.1 -17.8
18 W 13 O OH2 44.9 15.9 30.4 15 W 14 O OH2 60.7 22.2 30.9 16 W 15 O
OH2 46.9 20.3 31.4 13 W 16 O OH2 45.0 25.9 -17.3 24 W 17 O OH2 62.5
28.2 26.0 22 W 18 O OH2 62.0 22.7 28.5 16 W 19 O OH2 62.3 24.2 32.5
21 W 20 O OH2 47.0 25.3 -6.3 23 W 21 O OH2 54.8 21.1 41.4 23 W 22 O
OH2 67.9 7.3 30.5 17 W 23 O OH2 54.7 24.2 44.4 27 W 24 O OH2 60.2
0.9 15.8 22 W 25 O OH2 44.4 13.9 20.9 16 W 26 O OH2 42.6 26.4 29.9
15 W 27 O OH2 49.1 28.4 -16.5 18 W 28 O OH2 56.2 27.7 30.2 20 W 29
O OH2 66.8 22.6 23.8 19 W 31 O OH2 56.9 23.6 41.2 17 W 32 O OH2
51.5 22.6 16.2 16 W 33 O OH2 40.9 22.9 23.2 22 W 34 O OH2 46.9 33.8
30.9 20 W 35 O OH2 61.5 18.7 37.7 23 W 36 O OH2 55.9 29.0 27.7 27 W
37 O OH2 54.9 23.0 -5.5 23 W 38 O OH2 52.5 20.8 -8.2 29 W 39 O OH2
51.8 23.0 -11.1 32 W 40 O OH2 60.5 17.3 5.1 24 W 42 O OH2 50.0 41.7
33.8 17 W 43 O OH2 50.6 23.4 42.4 24 W 44 O OH2 47.9 22.2 24.6 22 W
45 O OH2 42.9 27.4 -10.3 22 W 46 O OH2 64.6 1.8 30.4 24 W 47 O OH2
53.0 22.5 43.1 26 W 48 O OH2 52.6 19.1 43.6 40 W 49 O OH2 50.9 -3.4
24.8 27 W 50 O OH2 59.1 -6.1 29.0 17 W 51 O OH2 74.0 14.0 19.3 23 W
52 O OH2 45.5 9.8 33.3 24 W 53 O OH2 72.9 11.0 15.9 26 W 54 O OH2
67.1 27.1 21.2 23 W 55 O OH2 68.2 14.0 12.6 22 W 56 O OH2 73.6 15.6
16.9 19 W 57 O OH2 55.7 34.1 31.5 24 W 58 O OH2 51.9 28.6 14.1 23 W
59 O OH2 47.4 2.3 27.8 29 W 60 O OH2 73.3 16.2 21.6 26 W 61 O OH2
55.6 29.3 39.7 22 W 62 O OH2 60.6 -1.2 29.1 22 W 63 O OH2 38.8 33.5
49.6 25 W 64 O OH2 71.0 22.6 17.2 25 W 65 O OH2 58.5 10.8 7.5 32 W
66 O OH2 54.4 17.3 40.1 26 W 67 O OH2 60.9 11.0 9.1 28 W 68 O OH2
70.7 28.5 11.4 28 W 69 O OH2 64.6 28.8 24.4 26 W 70 O OH2 65.3 30.6
22.6 29 W 71 O OH2 59.4 36.8 29.6 33 W 72 O OH2 60.7 18.2 40.3 32 W
73 O OH2 59.9 6.7 13.2 28 W 74 O OH2 51.7 21.5 46.0 38 W 75 O OH2
39.7 11.4 32.9 33 W 76 O OH2 53.1 33.7 53.3 33 W 77 O OH2 52.4 2.5
41.3 29 W 78 O OH2 57.7 -0.5 40.2 38 W 79 O OH2 60.6 -0.8 26.2 19 W
80 O OH2 68.7 3.7 21.7 35 W 81 O OH2 70.6 14.0 27.3 22 W 82 O OH2
70.3 13.4 24.6 19 W 83 O OH2 49.9 33.1 13.7 32 W 84 O OH2 46.3 35.9
-5.8 34 W 85 O OH2 57.9 6.9 42.0 36 W 86 O OH2 48.5 21.9 15.5 35 W
87 O OH2 60.4 13.8 41.6 39 W 88 O OH2 63.3 32.7 11.3 43 W 89 O OH2
46.4 37.2 -3.5 38 W 90 O OH2 50.1 33.0 22.8 35 W 91 O OH2 45.1 16.1
15.7 36 W 92 O OH2 52.9 27.5 36.6 26 W 93 O OH2 50.5 14.7 42.3 31 W
94 O OH2 42.4 38.0 40.6 21 W 95 O OH2 48.3 33.9 24.8 31 W 96 O OH2
67.3 20.0 22.6 21 W 97 O OH2 56.7 30.3 31.2 23 W 98 O OH2 49.3 1.8
34.8 33 W 99 O OH2 69.3 18.6 10.7 26 W 100 O OH2 41.4 26.7 40.0 30
W 101 O OH2 42.8 40.5 41.9 27 W 102 O OH2 71.1 9.2 15.0 23 W 103 O
OH2 70.3 6.9 31.7 24 W 104 O OH2 56.5 12.1 5.3 27 W 105 O OH2 54.5
-4.9 19.5 30 W 106 O OH2 61.4 26.6 29.1 32 W 107 O OH2 55.7 31.3
33.5 26 W 108 O OH2 68.9 9.2 13.1 29 W 109 O OH2 63.9 28.7 28.4 42
W 110 O OH2 47.9 32.6 27.3 28 W 111 O OH2 66.9 11.0 12.9 26 W 112 O
OH2 63.7 35.4 23.8 27 W 113 O OH2 61.5 5.0 14.8 30 W 114 O OH2 77.6
23.2 8.6 49 W 115 O OH2 42.5 22.2 -5.8 36 W 116 O OH2 59.1 26.4
-9.4 32 W 117 O OH2 44.8 36.3 -1.4 36 W 118 O OH2 55.2 35.7 13.3 35
W 119 O OH2 50.8 39.0 -5.1 38 W 120 O OH2 51.0 25.1 23.7 27 W 121 O
OH2 50.7 11.1 7.7 39 W 122 O OH2 54.3 18.7 -7.3 34 W 123 O OH2 42.9
13.8 23.3 32 W 124 O OH2 39.4 26.5 -2.5 46 W 125 O OH2 53.8 16.1
-7.6 42 W 126 O OH2 42.8 12.3 36.4 35 W 127 O OH2 44.5 22.0 17.9 42
W 128 O OH2 71.5 3.6 20.4 32 W 129 O OH2 60.5 5.5 10.3 47 W 130 O
OH2 42.3 29.0 -0.1 28 W 131 O OH2 51.4 0.9 33.3 32 W 132 O OH2 67.2
26.9 25.9 35 W 133 O OH2 54.1 1.5 34.0 25 W 134 O OH2 60.8 0.1 31.7
27 W 135 O OH2 51.9 17.4 9.6 20 W 136 O OH2 40.9 19.3 25.1 24 W 137
O OH2 42.6 32.4 51.4 37 W 138 O OH2 61.6 0.9 34.3 48 W 139 O OH2
41.6 15.6 36.8 24 W 140 O OH2 56.5 9.9 42.3 41 W 141 O OH2 47.0 7.9
10.8 47 W 142 O OH2 62.8 27.0 5.4 54 W 143 O OH2 63.8 7.1 39.2 31 W
144 O OH2 48.0 2.5 37.2 28 W 145 O OH2 57.6 35.8 19.7 35 W 146 O
OH2 49.2 9.0 8.2 39 W 147 O OH2 68.0 5.9 19.7 25 W 148 O OH2 48.9
-4.3 30.2 59 W 149 O OH2 46.6 20.3 -8.2 35 W 150 O OH2 55.3 24.3
-12.9 35 W 151 O OH2 60.0 35.0 7.9 43 W 152 O OH2 52.9 -4.3 17.0 47
W 153 O OH2 69.9 20.0 22.5 34 W 154 O OH2 41.9 17.0 39.4 22 W 155 O
OH2 58.8 34.0 18.1 37 W 156 O OH2 57.3 28.5 -8.6 29 W 157 O OH2
55.6 28.1 -10.5 29 W 158 O OH2 50.4 18.0 50.0 42 W 159 O OH2 42.1
8.2 23.0 38 W 160 O OH2 55.0 3.5 42.6 41 W 161 O OH2 65.7 13.1 36.6
27 W 162 O OH2 44.1 25.6 -6.5 27 W 163 O OH2 53.7 38.8 33.4 39 W
164 O OH2 57.6 33.1 34.7 42 W 165 O OH2 36.0 27.3 27.3 34 W 166 O
OH2 68.4 21.8 7.4 58 W 167 O OH2 65.9 20.5 36.9 36 W 168 O OH2 52.5
41.1 27.5 40 W 169 O OH2 32.0 13.3 -5.0 54 W 170 O OH2 50.6 14.8
-9.0 56 W 171 O OH2 42.7 8.0 25.9 31 W 172 O OH2 62.4 32.5 8.9 44 W
173 O OH2 58.8 31.9 1.5 33 W 174 O OH2 48.0 -3.8 24.3 38 W 175 O
OH2 57.7 36.8 15.1 33 W 176 O OH2 58.3 27.6 49.5 33 W 177 O OH2
71.1 22.3 21.3 35 W 178 O OH2 53.0 35.6 37.2 32 W 179 O OH2 57.1
30.8 37.8 37 W 180 O OH2 76.1 4.4 20.2 32 W 181 O OH2 61.2 20.7
41.5 36 W 182 O OH2 49.3 37.4 -3.5 34 W
183 O OH2 56.0 35.8 36.3 44 W 184 O OH2 69.6 -1.7 24.8 48 W 185 O
OH2 45.8 0.7 36.3 46 W 186 O OH2 68.7 26.3 19.2 31 W 187 O OH2 34.0
23.9 38.1 37 W 188 O OH2 66.9 4.7 15.0 40 W 189 O OH2 44.0 19.1
16.2 32 W 190 O OH2 45.4 40.7 5.6 38 W 191 O OH2 41.1 6.3 -7.8 44 W
192 O OH2 62.4 6.7 41.5 44 W 193 O OH2 64.7 0.9 33.6 47 W 194 O OH2
58.1 17.9 40.9 43 W 195 O OH2 54.5 6.4 2.7 40 W 196 O OH2 66.0 5.0
39.9 37 W 197 O OH2 35.7 19.0 27.5 42 W 198 O OH2 61.2 19.3 -8.7 41
W 199 O OH2 49.0 26.4 20.2 48 W 200 O OH2 57.4 43.2 28.2 48 W 201 O
OH2 41.1 30.6 25.2 33 W 202 O OH2 58.9 22.0 42.3 38 W 203 O OH2
59.9 41.7 27.3 45 W 204 O OH2 42.3 37.3 26.4 38 W 205 O OH2 51.1
22.8 49.1 40 W 206 O OH2 33.4 21.7 -5.4 45 W 207 O OH2 44.2 1.0
12.0 47 W 208 O OH2 62.0 13.2 6.9 36 W 209 O OH2 52.2 2.6 2.9 46 W
210 O OH2 62.7 30.6 30.1 41 W 211 O OH2 38.0 21.8 0.1 48 W 212 O
OH2 62.5 8.3 8.7 48 W 213 O OH2 43.1 5.3 -10.4 49 W 214 O OH2 57.9
18.0 -10.0 47 W 215 O OH2 63.8 25.4 45.8 45 W 216 O OH2 44.1 14.5
13.9 43 W 217 O OH2 37.5 25.8 -0.8 51 W 218 O OH2 63.2 1.9 13.4 46
W 219 O OH2 61.0 32.5 48.3 50 W 220 O OH2 57.4 43.5 12.4 50 W 221 O
OH2 39.1 39.8 1.3 52 W 222 O OH2 37.5 9.6 -6.1 50 W 500 U S 57.5
33.2 14.8 32 W 500 U O1 56.8 33.5 13.6 33 W 500 U O2 56.9 34.0 15.9
34 W 500 U O3 57.3 31.8 15.2 33 W 500 U O4 58.9 33.4 14.7 34 W 501
U S 67.1 31.9 10.6 41 W 501 U O1 66.6 30.6 10.1 42 W 501 U O2 68.2
31.6 11.6 42 W 501 U O3 67.7 32.7 9.6 42 W 501 U O4 66.0 32.6 11.3
42 W
Example 10
Ah.sub.6-ERK2 Non-Phosphorylated Structure Determination
[0093] The crystal structure was solved using molecular replacement
using the search models 1 ERK and 3ERK and 4ERK from the PDB.
Refinement was done using the program CNX.
TABLE-US-00007 Theoretical number of reflections 67268 Resolution
Limits 30.0-1.50 .ANG. Number of unobserved reflections 1517 (2.3%)
Number of reflections in working set 62484 (97.7%) Number of
reflections in test set 3267 (4.9%) Number of protein residues 346
Number of solvent atoms 219 R-factor 0.239 R-free 0.248 RMSD bond
length 0.0058 .ANG. RMSD bond angles 1.12.degree.
Example 11
Preparation of Ah.sub.6-ERK2 [Di-Phosphorylated]
[0094] Di-phosphorylated ERK2 was prepared by incubation of 30 mg
of 5 .mu.M ERK2 at 4.degree. C. with 95 nM MEK1P (active MEK1) in
50 mM sodium Hepes buffer, pH 7.45, 2 mM MgCl.sub.2, 1 mM sodium
orthovanadate, 4 mM KF, 1 mM TCEP, 5 mM Tris-Cl, 0.2 mM EDTA, 2%
glycerol, 1 mM DTT, 52 mM NaCl and 2 mM ATP for 105 minutes. The
reaction was quenched with 35 mM EDTA, and the sample was dialyzed
against MonoQ buffer (25 mM Tris-Cl, pH 7.8 (rt), 0.05 M NaCl, 1 mM
EDTA, 10% (v/v) glycerol, and 5 mM OTT) and applied to a MonoQ HR
16/10 column (Amersham/Pharmacia) at 4.degree. C. The column was
washed with 1 bed volume of MonoQ buffer and developed with a
linear 30 bed volume gradient between MonoQ Buffer and MonoQ Buffer
with 0.5 M NaCl. The yield was 13 mg of di-phosphorylated ERK2.
[0095] Pure di-phosphorylated ERK2 was prepared for crystallography
by extensive dialysis versus 20 mM Tris-Cl, pH 7.5 (rt), 0.2 M
NaCl, 0.03% sodium azide and 5 mM DTT at 4.degree. C.,
centrifugation at 200,000.times.g for 40 minutes, and concentration
to 11 mg/ml of protein on a YM10 membrane (Millipore).
Example 12
Crystallization of Ah.sub.6-ERK2 [Di-Phosphorylated]
[0096] The Ah.sub.6-ERK2 [di-phosphorylated] construct was
crystallized using a hanging-drop vapor diffusion method. The
protein (0.5 .mu.l; 10 mg/ml) in 20 mM Tris-HCl, pH 7.5, 0.20 M
sodium chloride, 0.03% sodium azide, 5 mM DTT buffer was mixed with
an equal volume of precipitant solution containing 10 mM sodium
citrate, pH 5.8, 20% iso-propanol placed on the underside of a
siliconized glass coverslip and sealed in close proximity to 1 ml
of the precipitant solution. Crystallization plates were incubated
at 4.degree.-22.degree. for 5 hours followed by incubation at
4.degree. for 48 hours; crystals grew over 4-30 days.
Example 13
Photomicrograph of Ah.sub.6-ERK2 [Di-Phosphorylated] Crystals
[0097] A protomicrograph of the Ah.sub.6-ERK2 [di-phosphorylated
crystals was taken (magnification about 200.times.). Rectangular
rod crystals (0.02.times.0.2 mm) were observed.
Example 14
Crystallographic Analysis of Ah.sub.6-ERK2 [Di-Phosphorylated]
[0098] Prior to data collection, crystals were washed with the
reservoir solution of the crystallization setup and transferred
into the same solution with 20% glycerol added. The crystals were
then flash-cooled in a nitrogen stream at 95 K. X-ray diffraction
was collected using a Rigaku generator equipped with a Raxis 4++
detector. Data were integrated and scaled using the HKL
package.
Data Collection Statistics:
TABLE-US-00008 [0099] Resolution 30.0-1.97 .ANG. No. of collected
reflections 1308217 No. of unique reflections (F >= 0) 113309
R-sym 3.6% Percent of theoretical (l/s >= 1) 84.7% Unit Cell a =
71.710 .ANG., b = 72.076 .ANG., c = 84.466 .ANG., .alpha. =
76.119.degree., .beta. = 84.738.degree. .gamma. = 80.343.degree.
Space Group P1 (number 1) Asymmetric unit 4 molecule
TABLE-US-00009 TABLE 2 Structural Coordinates of Ah.sub.6-ERK2
[di-phosphorlylated] crystals. The following table contains one
line for each atom in one Phosphorylated ERK2 kinase monomer. The
columns are: 1) residue number, 2) l- letter amino acid code, 3)
atom name, 4) x-coordinate, 5) y-coordinate, 6) z-coordinate, 7)
B-factor, 8) Chain ID. Residues A183 and A185 (Amino Acid Code X
and Z) are Phosphorylated. The coordinates are arranged in two
side-by-side columns. 6 A CB 2.1 5.1 18.1 91 A 6 A C 0.2 5.6 19.7
91 A 6 A O 0.6 5.7 20.8 92 A 6 A N 1.7 7.4 18.9 91 A 6 A CA 1.0 6.1
18.5 91 A 7 A N -0.9 4.9 19.3 90 A 7 A CA -1.8 4.3 20.3 89 A 7 A CB
-2.6 3.2 19.7 88 A 7 A C -1.1 3.9 21.6 87 A 7 A O -1.4 4.4 22.7 87
A 8 G N -0.2 2.9 21.4 85 A 8 G CA 0.6 2.4 22.5 81 A 8 G C 1.8 3.2
22.7 79 A 8 G O 1.8 4.4 23.1 79 A 9 P N 3.0 2.6 22.4 76 A 9 P CD
3.2 1.2 22.0 75 A 9 P CA 4.3 3.3 22.6 73 A 9 P CB 5.3 2.1 22.6 74 A
9 P CG 4.7 1.2 21.6 75 A 9 P C 4.6 4.3 21.5 71 A 9 P O 4.2 4.1 20.3
71 A 10 E N 5.3 5.4 21.8 69 A 10 E CA 5.7 6.4 20.8 66 A 10 E CB 6.2
7.7 21.6 67 A 10 E CG 5.2 8.2 22.6 67 A 10 E CD 5.7 9.4 23.3 67 A
10 E OE1 6.0 10.4 22.6 66 A 10 E OE2 5.8 9.4 24.5 66 A 10 E C 6.8
5.8 20.0 65 A 10 E O 7.6 5.0 20.5 64 A 11 M N 7.0 6.3 18.8 64 A 11
M CA 8.0 5.8 17.9 62 A 11 M CB 7.4 5.1 16.7 62 A 11 M CG 6.4 4.0
17.0 59 A 11 M SD 7.1 2.6 18.0 58 A 11 M CE 8.0 1.7 16.7 59 A 11 M
C 9.0 6.8 17.4 61 A 11 M O 8.6 8.0 17.1 61 A 12 V N 10.2 6.5 17.3
60 A 12 V CA 11.3 7.4 16.8 60 A 12 V CB 12.1 8.0 18.0 59 A 12 V CG1
13.3 8.7 17.4 58 A 12 V CG2 11.3 8.9 18.8 58 A 12 V C 12.2 6.5 16.0
60 A 12 V O 12.8 5.6 16.5 61 A 13 R N 12.3 6.8 14.7 59 A 13 R CA
13.1 6.1 13.7 59 A 13 R CB 14.6 6.4 14.0 59 A 13 R CG 15.0 7.8 13.6
58 A 13 R CD 16.5 7.8 13.7 58 A 13 R NE 17.1 8.9 12.8 58 A 13 R CZ
18.4 8.9 12.4 60 A 13 R NH1 19.2 7.9 12.8 60 A 13 R NH2 18.8 9.8
11.6 59 A 13 R C 12.8 4.6 13.8 58 A 13 R O 13.7 3.8 14.0 59 A 14 G
N 11.6 4.2 13.6 57 A 14 G CA 11.2 2.8 13.6 57 A 14 G C 11.4 2.1
14.9 56 A 14 G O 11.2 0.9 15.0 57 A 15 Q N 11.9 2.8 16.0 56 A 15 Q
CA 12.2 2.1 17.2 54 A 15 Q CB 13.5 2.4 17.8 55 A 15 Q CG 14.7 1.8
17.0 57 A 15 Q CD 15.9 1.6 17.9 59 A 15 Q OE1 17.0 1.4 17.4 61 A 15
Q NE2 15.7 1.7 19.2 58 A 15 Q C 11.1 2.5 18.3 53 A 15 Q O 10.5 3.5
18.2 50 A 16 V N 11.0 1.6 19.3 51 A 16 V CA 10.2 1.9 20.4 51 A 16 V
CB 9.7 0.6 21.1 51 A 16 V CG1 8.9 0.9 22.3 50 A 16 V CG2 8.8 -0.2
20.1 54 A 16 V C 10.9 2.7 21.4 50 A 16 V O 12.0 2.4 21.9 49 A 17 F
N 10.3 3.9 21.8 51 A 17 F CA 10.8 4.8 22.8 50 A 17 F CB 11.1 6.1
22.1 49 A 17 F CG 12.4 6.8 22.6 48 A 17 F CD1 13.6 6.2 22.3 47 A 17
F CD2 12.3 7.8 23.5 48 A 17 F CE1 14.8 6.7 22.8 45 A 17 F CE2 13.5
8.4 24.1 48 A 17 F CZ 14.7 7.8 23.7 47 A 17 F C 9.6 4.9 23.7 49 A
17 F O 9.0 6.0 23.8 49 A 18 D N 9.3 3.8 24.4 49 A 18 D CA 8.2 3.8
25.4 50 A 18 D CB 7.9 2.3 25.5 50 A 18 D CG 6.5 2.1 26.3 53 A 18 D
OD1 5.6 2.9 26.1 52 A 18 D OD2 6.4 1.1 27.0 54 A 18 D C 8.4 4.4
26.7 50 A 18 D O 8.6 3.8 27.7 49 A 19 V N 8.4 5.8 26.7 49 A 19 V CA
8.5 6.5 28.0 50 A 19 V CB 9.5 7.7 27.7 48 A 19 V CG1 10.9 7.2 27.5
46 A 19 V CG2 9.0 8.6 26.6 46 A 19 V C 7.2 7.0 28.5 52 A 19 V O 7.0
8.2 28.6 52 A 20 G N 6.3 6.1 28.8 52 A 20 G CA 5.0 6.4 29.4 50 A 20
G C 4.3 7.6 28.8 49 A 20 G O 4.6 8.0 27.6 48 A 21 P N 3.4 8.2 29.5
49 A 21 P CD 2.7 7.6 30.7 48 A 21 P CA 2.6 9.4 29.1 49 A 21 P CB
1.3 9.2 29.7 47 A 21 P CG 1.7 8.7 31.1 47 A 21 P C 3.3 10.7 29.4 48
A 21 P O 3.2 11.7 28.8 48 A 22 R N 4.1 10.7 30.5 47 A 22 R CA 4.8
11.8 31.0 48 A 22 R CB 5.6 11.5 32.3 47 A 22 R CG 6.3 12.7 32.9 48
A 22 R CD 7.1 12.2 34.1 47 A 22 R NE 8.0 13.3 34.6 47 A 22 R CZ 8.8
13.2 35.6 48 A 22 R NH1 8.9 12.0 36.3 46 A 22 R NH2 9.6 14.2 36.0
47 A 22 R C 5.7 12.5 30.0 48 A 22 R O 5.8 13.7 29.9 49 A 23 Y N 6.5
11.7 29.2 46 A 23 Y CA 7.4 12.2 28.3 45 A 23 Y CB 8.7 11.5 28.4 41
A 23 Y CG 9.3 11.6 29.8 37 A 23 Y CD1 9.9 12.8 30.2 38 A 23 Y CE1
10.4 12.8 31.5 37 A 23 Y CD2 9.3 10.5 30.6 38 A 23 Y CE2 9.8 10.6
31.9 35 A 23 Y CZ 10.4 11.7 32.4 37 A 23 Y OH 10.9 11.8 33.6 35 A
23 Y C 6.8 12.1 26.9 45 A 23 Y O 6.3 11.0 26.5 46 A 24 T N 6.8 13.2
26.1 48 A 24 T CA 6.2 13.2 24.8 50 A 24 T CB 4.8 13.7 24.8 51 A 24
T OG1 4.8 15.1 25.0 52 A 24 T CG2 4.0 13.0 25.9 49 A 24 T C 7.0
14.1 23.8 52 A 24 T O 8.1 14.5 24.1 55 A 25 N N 6.4 14.4 22.6 53 A
25 N CA 7.0 15.2 21.6 54 A 25 N CB 6.9 16.7 22.0 55 A 25 N CG 5.4
17.0 22.4 57 A 25 N OD1 4.6 16.9 21.5 57 A 25 N ND2 5.2 17.5 23.6
57 A 25 N C 8.5 14.9 21.4 55 A 25 N O 9.3 15.8 21.1 56 A 26 L N 8.8
13.6 21.5 56 A 26 L CA 10.2 13.1 21.3 56 A 26 L CB 10.2 11.6 21.2
55 A 26 L CG 10.1 10.7 22.4 55 A 26 L CD1 9.2 11.3 23.4 56 A 26 L
CD2 9.7 9.3 22.1 56 A 26 L C 10.8 13.8 20.1 57 A 26 L O 10.2 14.2
19.2 57 A 27 S N 12.2 13.8 20.1 58 A 27 S CA 12.9 14.4 19.0 57 A 27
S CB 13.0 15.9 19.1 57 A 27 S OG 13.7 16.5 18.1 56 A 27 S C 14.3
13.8 19.0 58 A 27 S O 15.2 14.2 19.8 59 A 28 Y N 14.6 12.9 18.1 57
A 28 Y CA 15.9 12.2 17.9 57 A 28 Y CB 15.9 11.4 16.6 56 A 28 Y CG
17.2 10.7 16.4 55 A 28 Y CD1 17.5 9.5 17.1 56 A 28 Y CE1 18.7 8.8
16.8 55 A 28 Y CD2 18.1 11.2 15.5 56 A 28 Y CE2 19.3 10.5 15.2 56 A
28 Y CZ 19.6 9.3 15.9 55 A 28 Y OH 20.8 8.7 15.7 55 A 28 Y C 17.1
13.2 17.9 56 A 28 Y O 17.0 14.3 17.3 56 A 29 I N 18.2 12.8 18.5 55
A 29 I CA 19.4 13.7 18.6 55 A 29 I CB 19.5 14.4 19.9 55 A 29 I CG2
18.5 15.5 20.0 57 A 29 I CG1 19.4 13.5 21.1 55 A 29 I CD1 19.4 14.2
22.4 53 A 29 I C 20.6 12.9 18.3 54 A 29 I O 21.6 13.4 17.8 53 A 30
G N 20.6 11.6 18.5 53 A 30 G CA 21.8 10.8 18.2 52 A 30 G C 21.8 9.4
18.9 52 A 30 G O 21.0 9.0 19.7 51 A 31 E N 22.8 8.6 18.4 53 A 31 E
CA 23.0 7.2 18.9 54 A 31 E CB 23.5 6.3 17.8 54 A 31 E CG 22.6 6.0
16.6 55 A 31 E CD 21.3 5.3 17.1 56 A 31 E OE1 21.5 4.2 17.8 56 A 31
E OE2 20.2 5.7 16.7 55 A 31 E C 23.9 7.2 20.1 55 A 31 E O 24.9 7.9
20.1 54 A 32 G N 23.6 6.4 21.1 55 A 32 G CA 24.4 6.2 22.3 55 A 32 G
C 25.0 4.9 22.3 55 A 32 G O 24.8 4.0 21.4 56 A 33 A N 25.9 4.6 23.3
54 A 33 A CA 26.6 3.3 23.4 53 A 33 A CB 27.2 3.2 24.8 53 A 33 A C
25.7 2.1 23.2 53 A 33 A O 25.9 1.3 22.3 53 A 34 Y N 24.6 2.1 24.0
52 A 34 Y CA 23.7 0.9 23.8 52 A 34 Y CB 23.7 0.1 25.1 52 A 34 Y CG
25.0 0.0 25.8 53 A 34 Y CD1 26.1 -0.6 25.1 53 A 34 Y CE1 27.4 -0.6
25.7 54 A 34 Y CD2 25.2 0.5 27.1 52 A 34 Y CE2 26.5 0.5 27.7 53 A
34 Y CZ 27.6 -0.1 27.0 53 A 34 Y OH 28.8 -0.1 27.5 52 A 34 Y C 22.2
1.3 23.5 50 A 34 Y O 21.3 0.6 24.0 50 A 35 G N 22.0 2.3 22.7 49 A
35 G CA 20.7 2.7 22.3 48 A 35 G C 20.7 4.2 21.8 48 A 35 G O 21.7
4.8 21.8 49 A 36 M N 19.5 4.6 21.3 46 A 36 M CA 19.4 6.0 20.8 45 A
36 M CB 18.5 6.1 19.7 46 A 36 M CG 17.0 5.8 20.0 46 A 36 M SD 15.9
6.6 18.8 49 A 36 M CE 16.2 5.6 17.3 48 A 36 M C 19.0 7.0 21.9 44 A
36 M O 18.4 6.6 23.0 40 A 37 V N 19.4 8.3 21.7 44 A 37 V CA 19.1
9.3 22.6 45 A 37 V CB 20.4 10.0 23.1 45 A 37 V CG1 20.1 11.1 24.1
44 A 37 V CG2 21.4 9.0 23.6 44 A 37 V C 18.2 10.4 22.0 45 A 37 V O
18.4 10.8 20.9 44 A 38 C N 17.1 10.7 22.7 46 A
38 C CA 16.2 11.7 22.2 48 A 38 C CB 14.8 11.0 21.9 49 A 38 C SG
14.9 9.8 20.6 51 A 38 C C 15.9 12.8 23.2 48 A 38 C O 16.3 12.6 24.4
49 A 39 S N 15.2 13.9 22.8 48 A 39 S CA 14.9 14.9 23.8 50 A 39 S CB
15.4 16.3 23.3 49 A 39 S OG 14.9 16.6 22.0 48 A 39 S C 13.4 15.0
23.8 50 A 39 S O 12.7 15.4 22.9 52 A 40 A N 12.8 14.6 25.0 51 A 40
A CA 11.4 14.6 25.2 51 A 40 A CB 11.0 13.5 26.1 49 A 40 A C 11.0
15.9 25.8 53 A 40 A O 11.8 16.9 25.9 51 A 41 Y N 9.7 16.0 26.2 56 A
41 Y CA 9.2 17.2 26.9 59 A 41 Y CB 8.2 17.9 26.0 62 A 41 Y CG 7.5
19.0 26.6 64 A 41 Y CD1 8.1 20.2 26.8 66 A 41 Y CE1 7.5 21.3 27.5
67 A 41 Y CD2 6.2 18.9 27.1 66 A 41 Y CE2 5.5 19.9 27.8 68 A 41 Y
CZ 6.2 21.1 28.0 68 A 41 Y OH 5.6 22.1 28.7 69 A 41 Y C 8.5 16.7
28.1 59 A 41 Y O 7.4 16.1 28.0 61 A 42 D N 9.1 16.9 29.3 59 A 42 D
CA 8.4 16.4 30.5 59 A 42 D CB 9.3 16.7 31.7 57 A 42 D CG 8.9 15.9
32.9 58 A 42 D OD1 7.8 15.5 33.0 57 A 42 D OD2 9.8 15.6 33.8 56 A
42 D C 7.1 17.2 30.6 60 A 42 D O 7.1 18.4 30.5 62 A 43 N N 6.0 16.5
30.8 60 A 43 N CA 4.7 17.1 30.9 60 A 43 N CB 3.6 16.2 30.5 60 A 43
N CG 3.6 16.0 29.0 61 A 43 N OD1 3.5 17.0 28.2 60 A 43 N ND2 3.7
14.8 28.5 60 A 43 N C 4.5 17.5 32.4 60 A 43 N O 3.6 18.3 32.7 61 A
44 L N 5.3 17.0 33.3 60 A 44 L CA 5.3 17.2 34.7 59 A 44 L CB 5.8
16.1 35.5 57 A 44 L CG 6.0 16.3 37.0 56 A 44 L CD1 4.9 17.1 37.6 56
A 44 L CD2 6.2 15.0 37.7 54 A 44 L C 6.1 18.5 35.0 59 A 44 L O 5.5
19.4 35.6 60 A 45 N N 7.3 18.5 34.6 58 A 45 N CA 8.2 19.7 34.9 57 A
45 N CB 9.6 19.3 35.3 55 A 45 N CG 9.6 18.3 36.4 53 A 45 N OD1 8.9
18.5 37.4 53 A 45 N ND2 10.4 17.2 36.3 53 A 45 N C 8.2 20.6 33.7 56
A 45 N O 9.2 21.5 33.6 58 A 46 K N 7.2 20.5 32.8 56 A 46 K CA 7.1
21.4 31.6 57 A 46 K CB 6.3 22.6 31.9 59 A 46 K CG 4.8 22.4 32.3 60
A 46 K CD 4.7 21.8 33.7 60 A 46 K CE 3.2 21.7 34.2 60 A 46 K NZ 2.4
20.8 33.3 60 A 46 K C 8.4 21.8 30.9 57 A 46 K O 8.5 22.8 30.3 56 A
47 V N 9.5 21.0 31.1 56 A 47 V CA 10.8 21.3 30.5 55 A 47 V CB 11.9
21.5 31.6 55 A 47 V CG1 11.7 22.8 32.2 56 A 47 V CG2 11.8 20.4 32.6
55 A 47 V C 11.2 20.1 29.6 54 A 47 V O 11.1 18.9 30.0 53 A 48 R N
11.8 20.4 28.4 53 A 48 R CA 12.3 19.4 27.6 53 A 48 R CB 12.6 19.9
26.2 53 A 48 R CG 11.4 20.3 25.4 52 A 48 R CD 11.7 20.7 24.0 53 A
48 R NE 12.3 19.7 23.1 53 A 48 R CZ 11.6 18.6 22.8 52 A 48 R NH1
10.3 18.4 23.2 52 A 48 R NH2 12.1 17.6 22.0 52 A 48 R C 13.5 18.8
28.2 53 A 48 R O 14.5 19.6 28.4 54 A 49 V N 13.5 17.5 28.5 51 A 49
V CA 14.7 16.9 29.1 49 A 49 V CB 14.3 15.9 30.2 49 A 49 V CG1 13.7
16.7 31.4 47 A 49 V CG2 13.2 14.9 29.7 48 A 49 V C 15.4 16.1 28.0
47 A 49 V O 15.1 16.2 26.8 47 A 50 A N 16.3 15.2 28.4 46 A 50 A CA
17.1 14.4 27.5 43 A 50 A CB 18.6 14.7 27.5 43 A 50 A C 16.9 12.9
28.0 40 A 50 A O 16.9 12.7 29.2 38 A 51 I N 16.7 12.0 27.1 38 A 51
I CA 16.5 10.6 27.5 38 A 51 I CB 15.0 10.2 27.4 37 A 51 I CG2 14.8
8.8 27.9 33 A 51 I CG1 14.2 11.2 28.2 36 A 51 I CD1 12.7 10.9 28.1
38 A 51 I C 17.3 9.7 26.6 38 A 51 I O 17.5 9.9 25.4 38 A 52 K N
17.9 8.7 27.2 37 A 52 K CA 18.7 7.7 26.4 37 A 52 K CB 20.2 7.9 26.6
38 A 52 K CG 20.7 7.6 28.0 40 A 52 K CD 21.9 8.5 28.2 44 A 52 K CE
22.9 7.9 29.3 48 A 52 K NZ 23.8 6.9 28.6 49 A 52 K C 18.2 6.3 26.6
34 A 52 K O 18.1 5.9 27.8 31 A 53 K N 17.9 5.6 25.5 35 A 53 K CA
17.4 4.2 25.6 36 A 53 K CB 16.6 3.9 24.4 35 A 53 K CG 15.9 2.6 24.4
36 A 53 K CD 15.1 2.3 23.1 35 A 53 K CE 14.6 0.9 23.0 36 A 53 K NZ
14.1 0.6 21.6 34 A 53 K C 18.6 3.3 25.7 35 A 53 K O 19.5 3.4 24.9
34 A 54 I N 18.6 2.5 26.7 36 A 54 I CA 19.8 1.6 26.9 36 A 54 I CB
20.5 2.0 28.2 35 A 54 I CG2 21.7 1.1 28.4 32 A 54 I CG1 20.9 3.4
28.1 36 A 54 I CD1 21.6 4.0 29.4 38 A 54 I C 19.3 0.1 27.0 37 A 54
I O 18.6 -0.2 28.0 39 A 55 S N 19.8 -0.7 26.1 39 A 55 S CA 19.4
-2.1 26.0 42 A 55 S CB 18.7 -2.4 24.7 42 A 55 S OG 17.9 -1.3 24.3
40 A 55 S C 20.7 -2.9 26.1 44 A 55 S O 21.3 -3.4 25.1 46 A 56 P N
21.2 -3.1 27.4 45 A 56 P CD 20.8 -2.3 28.6 45 A 56 P CA 22.5 -3.8
27.6 45 A 56 P CB 23.1 -2.9 28.7 46 A 56 P CG 22.0 -2.7 29.6 44 A
56 P C 22.4 -5.3 28.1 47 A 56 P O 23.4 -6.0 27.9 47 A 57 F N 21.3
-5.7 28.6 48 A 57 F CA 21.1 -7.0 29.1 50 A 57 F CB 19.6 -7.2 29.4
50 A 57 F CG 19.1 -6.1 30.3 51 A 57 F CD1 19.6 -5.8 31.5 52 A 57 F
CD2 18.1 -5.3 29.8 52 A 57 F CE1 19.2 -4.8 32.3 53 A 57 F CE2 17.6
-4.2 30.6 53 A 57 F CZ 18.2 -3.9 31.8 52 A 57 F C 21.6 -8.2 28.3 50
A 57 F O 21.6 -9.4 28.8 50 A 58 E N 22.1 -8.0 27.1 50 A 58 E CA
22.6 -9.1 26.2 52 A 58 E CB 22.6 -8.7 24.8 54 A 58 E CG 21.2 -8.3
24.3 57 A 58 E CD 20.3 -9.5 24.3 60 A 58 E OE1 20.5 -10.5 23.5 61 A
58 E OE2 19.3 -9.6 25.0 60 A 58 E C 24.1 -9.4 26.6 52 A 58 E O 24.5
-10.6 26.5 52 A 59 H N 24.9 -8.5 27.0 50 A 59 H CA 26.3 -8.7 27.4
50 A 59 H CB 27.2 -8.0 26.4 52 A 59 H CG 26.9 -8.2 25.0 55 A 59 H
CD2 27.5 -8.9 24.0 55 A 59 H ND1 25.7 -7.7 24.4 55 A 59 H CE1 25.7
-8.1 23.1 56 A 59 H NE2 26.7 -8.8 22.8 57 A 59 H C 26.6 -8.3 28.8
49 A 59 H O 26.1 -7.3 29.3 49 A 60 Q N 27.5 -9.0 29.4 47 A 60 Q CA
27.9 -8.7 30.8 46 A 60 Q CB 28.9 -9.7 31.3 45 A 60 Q CG 29.6 -9.3
32.6 46 A 60 Q CD 30.9 -10.0 32.8 46 A 60 Q OE1 31.8 -10.0 32.0 48
A 60 Q NE2 31.1 -10.6 34.0 46 A 60 Q C 28.6 -7.3 30.9 46 A 60 Q O
28.2 -6.5 31.8 47 A 61 T N 29.6 -7.0 30.0 46 A 61 T CA 30.3 -5.8
30.1 46 A 61 T CB 31.4 -5.7 29.1 44 A 61 T OG1 31.0 -6.0 27.8 50 A
61 T CG2 32.4 -6.8 29.4 43 A 61 T C 29.3 -4.6 29.8 46 A 61 T O 29.5
-3.5 30.3 47 A 62 Y N 28.3 -4.8 29.0 46 A 62 Y CA 27.3 -3.8 28.8 46
A 62 Y CB 26.3 -4.3 27.7 49 A 62 Y CG 26.8 -4.1 26.3 51 A 62 Y CD1
28.2 -4.0 26.0 51 A 62 Y CE1 28.7 -3.9 24.7 52 A 62 Y CD2 26.0 -4.0
25.2 51 A 62 Y CE2 26.5 -3.9 23.9 51 A 62 Y CZ 27.9 -3.8 23.7 51 A
62 Y OH 28.4 -3.6 22.4 51 A 62 Y C 26.5 -3.6 30.1 46 A 62 Y O 26.2
-2.4 30.4 45 A 63 C N 26.2 -4.7 30.8 43 A 63 C CA 25.5 -4.6 32.1 41
A 63 C CB 25.1 -6.0 32.5 42 A 63 C SG 23.7 -6.7 31.6 41 A 63 C C
26.4 -3.9 33.2 40 A 63 C O 25.9 -3.1 33.9 39 A 64 Q N 27.7 -4.3
33.2 38 A 64 Q CA 28.6 -3.7 34.2 38 A 64 Q CB 30.0 -4.2 34.0 38 A
64 Q CG 30.3 -5.6 34.5 42 A 64 Q CD 31.8 -5.9 34.4 44 A 64 Q OE1
32.4 -5.6 33.3 46 A 64 Q NE2 32.4 -6.4 35.4 44 A 64 Q C 28.6 -2.2
34.2 37 A 64 Q O 28.4 -1.5 35.2 36 A 65 R N 28.7 -1.7 33.0 35 A 65
R CA 28.8 -0.2 32.7 37 A 65 R CB 29.3 0.0 31.3 36 A 65 R CG 30.7
-0.5 31.1 38 A 65 R CD 31.3 -0.4 29.7 40 A 65 R NE 32.7 -0.8 29.6
43 A 65 R CZ 33.4 -0.8 28.5 44 A 65 R NH1 32.8 -0.5 27.3 41 A 65 R
NH2 34.6 -1.2 28.5 40 A 65 R C 27.5 0.5 33.0 37 A 65 R O 27.5 1.6
33.4 39 A 66 T N 26.4 -0.2 32.7 37 A 66 T CA 25.1 0.4 32.9 35 A 66
T CB 24.0 -0.5 32.3 35 A 66 T OG1 24.1 -0.5 30.9 35 A 66 T CG2 22.6
0.0 32.7 33 A 66 T C 24.8 0.5 34.4 35 A 66 T O 24.4 1.6 34.9 35 A
67 L N 25.1 -0.5 35.2 33 A 67 L CA 25.0 -0.5 36.7 32 A 67 L CB 25.2
-1.9 37.2 31 A 67 L CG 24.7 -2.4 38.6 32 A 67 L CD1 25.8 -2.2 39.6
32 A 67 L CD2 23.4 -1.8 38.9 29 A 67 L C 25.9 0.5 37.3 32 A 67 L O
25.5 1.3 38.2 29 A 68 R N 27.2 0.6 36.8 31 A 68 R CA 28.2 1.5 37.3
29 A 68 R CB 29.5 1.3 36.6 25 A 68 R CG 30.4 0.2 37.2 23 A 68 R CD
31.5 -0.1 36.3 20 A 68 R NE 32.3 -1.3 36.8 19 A
68 R CZ 33.3 -1.9 36.2 20 A 68 R NH1 33.8 -1.4 35.1 16 A 68 R NH2
33.9 -2.9 36.8 18 A 68 R C 27.7 3.0 37.1 28 A 68 R O 27.6 3.7 38.1
26 A 69 E N 27.4 3.4 35.9 28 A 69 E CA 26.9 4.7 35.7 29 A 69 E CB
26.6 4.9 34.2 30 A 69 E CG 25.9 6.2 33.9 34 A 69 E CD 26.0 6.7 32.5
36 A 69 E OE1 25.6 5.9 31.6 36 A 69 E OE2 26.4 7.8 32.2 34 A 69 E C
25.7 5.1 36.5 30 A 69 E O 25.7 6.2 37.1 31 A 70 I N 24.8 4.2 36.7
26 A 70 I CA 23.6 4.4 37.5 25 A 70 I CB 22.6 3.2 37.3 25 A 70 I CG2
21.5 3.4 38.3 22 A 70 I CG1 22.0 3.2 35.9 22 A 70 I CD1 21.3 2.0
35.6 21 A 70 I C 23.9 4.6 39.0 25 A 70 I O 23.5 5.5 39.6 27 A 71 K
N 24.6 3.6 39.6 25 A 71 K CA 24.9 3.7 41.0 28 A 71 K CB 25.7 2.5
41.5 30 A 71 K CG 24.8 1.2 41.4 33 A 71 K CD 25.6 -0.0 41.9 34 A 71
K CE 25.9 0.1 43.4 37 A 71 K NZ 26.6 -1.2 43.9 39 A 71 K C 25.7 5.0
41.3 29 A 71 K O 25.4 5.7 42.2 29 A 72 I N 26.7 5.2 40.5 27 A 72 I
CA 27.5 6.4 40.6 26 A 72 I CB 28.7 6.4 39.7 26 A 72 I CG2 29.4 7.8
39.6 21 A 72 I CG1 29.7 5.4 40.1 22 A 72 I CD1 30.7 5.0 38.9 22 A
72 I C 26.7 7.7 40.5 25 A 72 I O 26.7 8.6 41.3 25 A 73 L N 26.1 7.9
39.3 24 A 73 L CA 25.3 9.1 39.0 26 A 73 L CB 24.9 9.0 37.5 25 A 73
L CG 25.4 10.1 36.6 25 A 73 L CD1 26.9 10.2 36.9 21 A 73 L CD2 25.1
9.8 35.2 21 A 73 L C 24.1 9.3 39.9 27 A 73 L O 23.6 10.4 40.1 29 A
74 L N 23.6 8.2 40.5 28 A 74 L CA 22.5 8.3 41.4 30 A 74 L CB 21.8
6.9 41.6 28 A 74 L CG 20.3 6.7 41.3 31 A 74 L CD1 19.8 7.7 40.2 25
A 74 L CD2 20.1 5.3 40.9 32 A 74 L C 22.9 8.8 42.7 30 A 74 L O 22.2
9.6 43.4 30 A 75 R N 24.1 8.5 43.2 30 A 75 R CA 24.7 9.0 44.4 31 A
75 R CB 25.7 8.0 45.0 34 A 75 R CG 26.3 8.5 46.3 37 A 75 R CD 27.3
7.5 46.9 40 A 75 R NE 26.7 6.2 47.2 42 A 75 R CZ 27.3 5.3 48.0 43 A
75 R NH1 28.5 5.6 48.5 44 A 75 R NH2 26.7 4.1 48.2 42 A 75 R C 25.3
10.4 44.3 30 A 75 R O 25.2 11.1 45.3 30 A 76 F N 25.9 10.7 43.2 27
A 76 F CA 26.6 12.0 43.0 26 A 76 F CB 27.3 12.0 41.7 23 A 76 F CG
28.7 11.3 41.8 23 A 76 F CD1 29.1 10.7 42.9 20 A 76 F CD2 29.5 11.4
40.7 20 A 76 F CE1 30.4 10.1 43.0 22 A 76 F CE2 30.8 10.8 40.7 23 A
76 F CZ 31.2 10.2 41.9 21 A 76 F C 25.6 13.2 43.0 26 A 76 F O 24.5
13.1 42.5 26 A 77 R N 26.0 14.3 43.6 28 A 77 R CA 25.2 15.5 43.7 29
A 77 R CB 24.6 15.6 45.1 34 A 77 R CG 25.6 15.7 46.3 43 A 77 R CD
25.4 14.6 47.3 49 A 77 R NE 26.7 14.0 47.7 53 A 77 R CZ 27.7 14.5
48.3 55 A 77 R NH1 27.7 15.8 48.6 58 A 77 R NH2 28.8 13.8 48.5 55 A
77 R C 26.2 16.7 43.5 26 A 77 R O 26.7 17.3 44.5 25 A 78 H N 26.3
17.2 42.3 24 A 78 H CA 27.2 18.3 42.0 22 A 78 H CB 28.6 17.8 41.8
19 A 78 H CG 29.7 18.8 41.8 21 A 78 H CD2 30.1 19.7 40.8 19 A 78 H
ND1 30.5 19.1 42.8 21 A 78 H CE1 31.4 20.0 42.5 20 A 78 H NE2 31.2
20.4 41.3 24 A 78 H C 26.8 19.1 40.8 22 A 78 H O 26.2 18.6 39.8 22
A 79 E N 27.0 20.4 40.9 21 A 79 E CA 26.6 21.4 39.8 21 A 79 E CB
26.9 22.8 40.2 23 A 79 E CG 26.1 23.3 41.4 27 A 79 E CD 26.5 24.7
41.7 30 A 79 E OE1 25.7 25.4 42.5 33 A 79 E OE2 27.6 25.2 41.3 33 A
79 E C 27.3 21.1 38.5 22 A 79 E O 26.7 21.3 37.4 20 A 80 N N 28.5
20.5 38.5 21 A 80 N CA 29.2 20.2 37.3 21 A 80 N CB 30.7 20.7 37.5
18 A 80 N CG 30.8 22.2 37.9 21 A 80 N OD1 31.3 22.5 38.9 23 A 80 N
ND2 30.3 23.1 37.0 15 A 80 N C 29.2 18.8 36.8 22 A 80 N O 30.0 18.3
36.0 22 A 81 I N 28.2 18.0 37.4 19 A 81 I CA 28.0 16.6 37.0 18 A 81
I CB 28.4 15.7 38.2 19 A 81 I CG2 28.1 14.2 37.8 14 A 81 I CG1 29.9
15.9 38.6 18 A 81 I CD1 30.3 15.0 39.7 17 A 81 I C 26.6 16.3 36.6
18 A 81 I O 25.7 16.6 37.4 15 A 82 I N 26.4 15.9 35.4 19 A 82 I CA
25.0 15.6 35.0 20 A 82 I CB 25.0 14.9 33.6 22 A 82 I CG2 25.5 13.5
33.6 18 A 82 I CG1 23.5 15.0 33.0 23 A 82 I CD1 22.9 16.3 32.9 22 A
82 I C 24.4 14.6 36.0 21 A 82 I O 25.1 13.7 36.6 21 A 83 G N 23.1
14.7 36.3 23 A 83 G CA 22.5 13.8 37.2 26 A 83 G C 21.4 13.0 36.5 29
A 83 G O 21.1 13.3 35.3 29 A 84 I N 20.7 12.1 37.2 30 A 84 I CA
19.6 11.3 36.6 31 A 84 I CB 19.8 9.8 36.8 31 A 84 I CG2 18.6 9.0
36.3 30 A 84 I CG1 21.1 9.3 36.2 27 A 84 I CD1 21.3 7.8 36.4 26 A
84 I C 18.3 11.8 37.3 32 A 84 I O 18.1 11.6 38.5 33 A 85 N N 17.4
12.4 36.5 34 A 85 N CA 16.2 12.9 37.1 37 A 85 N CB 15.6 14.1 36.3
36 A 85 N CG 16.7 15.0 35.8 39 A 85 N OD1 17.7 15.2 36.5 38 A 85 N
ND2 16.5 15.6 34.7 39 A 85 N C 15.1 11.8 37.2 38 A 85 N O 14.1 12.0
37.9 40 A 86 D N 15.2 10.7 36.5 38 A 86 D CA 14.2 9.6 36.5 38 A 86
D CB 12.9 10.2 36.0 35 A 86 D CG 11.7 9.3 36.0 35 A 86 D OD1 11.7
8.3 36.8 33 A 86 D OD2 10.8 9.4 35.2 35 A 86 D C 14.7 8.5 35.6 40 A
86 D O 15.5 8.6 34.7 42 A 87 I N 14.1 7.3 35.9 40 A 87 I CA 14.4
6.1 35.1 40 A 87 I CB 15.4 5.2 35.8 39 A 87 I CG2 15.6 3.9 35.0 37
A 87 I CG1 16.7 5.9 36.0 37 A 87 I CD1 17.8 5.1 36.6 35 A 87 I C
13.1 5.2 34.9 42 A 87 I O 12.5 4.7 35.8 42 A 88 I N 12.8 5.1 33.6
43 A 88 I CA 11.6 4.3 33.2 44 A 88 I CB 10.9 5.0 32.0 44 A 88 I CG2
9.8 4.1 31.4 43 A 88 I CG1 10.3 6.3 32.5 42 A 88 I CD1 9.6 7.1 31.4
41 A 88 I C 12.0 2.9 32.7 45 A 88 I O 12.8 2.8 31.8 45 A 89 R N
11.5 1.9 33.3 47 A 89 R CA 11.8 0.5 33.0 48 A 89 R CB 13.1 -0.0
33.6 48 A 89 R CG 13.1 0.1 35.1 47 A 89 R CD 12.2 -1.0 35.8 48 A 89
R NE 12.6 -1.1 37.2 50 A 89 R CZ 11.9 -1.7 38.1 50 A 89 R NH1 10.7
-2.3 37.8 52 A 89 R NH2 12.3 -1.8 39.4 49 A 89 R C 10.6 -0.4 33.3
49 A 89 R O 9.8 -0.1 34.3 49 A 90 A N 10.4 -1.5 32.6 51 A 90 A CA
9.3 -2.4 32.8 52 A 90 A CB 9.5 -3.7 32.0 51 A 90 A C 9.0 -2.8 34.2
52 A 90 A O 9.9 -2.9 35.1 52 A 91 P N 7.7 -2.9 34.6 53 A 91 P CD
6.5 -2.7 33.7 53 A 91 P CA 7.2 -3.2 35.9 53 A 91 P CB 5.7 -3.3 35.8
53 A 91 P CG 5.4 -2.4 34.6 53 A 91 P C 7.8 -4.6 36.4 52 A 91 P O
8.0 -4.7 37.6 52 A 92 T N 7.9 -5.5 35.5 53 A 92 T CA 8.5 -6.8 35.9
56 A 92 T CB 7.5 -7.9 35.5 56 A 92 T OG1 7.4 -8.1 34.1 58 A 92 T
CG2 6.1 -7.6 36.0 56 A 92 T C 9.8 -7.1 35.1 57 A 92 T O 9.9 -6.8
34.0 57 A 93 I N 10.8 -7.6 35.9 57 A 93 I CA 12.1 -7.9 35.3 58 A 93
I CB 12.9 -8.7 36.3 58 A 93 I CG2 12.3 -10.0 36.5 57 A 93 I CG1
14.4 -8.8 35.7 58 A 93 I CD1 15.4 -9.3 36.8 58 A 93 I C 12.0 -8.5
33.9 58 A 93 I O 12.7 -8.1 33.0 58 A 94 E N 11.2 -9.6 33.8 58 A 94
E CA 11.1 -10.3 32.5 56 A 94 E CB 10.0 -11.4 32.5 57 A 94 E CG 10.4
-12.7 33.3 56 A 94 E CD 10.5 -12.5 34.8 57 A 94 E OE1 9.6 -11.8
35.4 56 A 94 E OE2 11.5 -13.0 35.4 56 A 94 E C 10.8 -9.3 31.4 56 A
94 E O 11.3 -9.5 30.2 56 A 95 Q N 10.0 -8.3 31.7 56 A 95 Q CA 9.6
-7.3 30.7 57 A 95 Q CB 8.3 -6.6 31.1 59 A 95 Q CG 7.1 -7.5 31.4 61
A 95 Q CD 5.9 -6.8 31.7 62 A 95 Q OE1 5.3 -6.1 30.9 63 A 95 Q NE2
5.5 -6.8 33.0 61 A 95 Q C 10.6 -6.3 30.4 55 A 95 Q O 10.5 -5.5 29.4
57 A 96 M N 11.6 -6.2 31.3 53 A 96 M CA 12.7 -5.2 31.2 51 A 96 M CB
13.3 -4.9 32.5 50 A 96 M CG 14.4 -3.8 32.5 45 A 96 M SD 15.0 -3.5
34.2 42 A 96 M CE 16.0 -4.9 34.4 40 A 96 M C 13.7 -5.6 30.1 50 A 96
M O 14.6 -6.5 30.4 47 A 97 K N 13.7 -5.0 29.0 50 A 97 K CA 14.6
-5.2 27.9 52 A 97 K CB 13.9 -5.6 26.6 53 A 97 K CG 12.8 -6.6 26.8
56 A 97 K CD 13.3 -8.0 27.0 59 A 97 K CE 12.2 -9.0 27.1 60 A 97 K
NZ 12.8 -10.4 27.3 61 A 97 K C 15.4 -3.9 27.7 51 A 97 K O 16.5 -3.9
27.2 51 A 98 D N 14.8 -2.8 28.1 49 A 98 D CA 15.3 -1.5 27.9 49 A 98
D CB 14.6 -0.8 26.8 50 A
98 D CG 14.5 -1.6 25.6 51 A 98 D OD1 15.6 -2.1 25.0 52 A 98 D OD2
13.4 -1.9 25.1 53 A 98 D C 15.2 -0.6 29.2 48 A 98 D O 14.4 -0.9
30.1 50 A 99 V N 16.1 0.4 29.2 46 A 99 V CA 16.1 1.3 30.3 43 A 99 V
CB 17.2 1.0 31.3 44 A 99 V CG1 17.1 2.0 32.5 43 A 99 V CG2 17.1
-0.4 31.8 42 A 99 V C 16.2 2.7 29.8 42 A 99 V O 17.1 3.0 28.9 42 A
100 Y N 15.3 3.6 30.2 40 A 100 Y CA 15.4 5.0 29.7 38 A 100 Y CB
14.1 5.5 29.1 38 A 100 Y CG 13.5 4.6 28.0 38 A 100 Y CD1 12.9 3.4
28.3 37 A 100 Y CE1 12.4 2.5 27.3 38 A 100 Y CD2 13.7 4.9 26.7 37 A
100 Y CE2 13.1 4.1 25.6 39 A 100 Y CZ 12.5 2.9 26.0 39 A 100 Y OH
12.0 2.2 25.0 42 A 100 Y C 15.8 5.9 30.8 38 A 100 Y O 15.1 6.1 31.8
39 A 101 I N 17.0 6.5 30.7 35 A 101 I CA 17.5 7.4 31.7 33 A 101 I
CB 19.0 7.2 32.0 33 A 101 I CG2 19.5 8.1 33.0 32 A 101 I CG1 19.2
5.7 32.4 34 A 101 I CD1 20.7 5.3 32.5 34 A 101 I C 17.3 8.9 31.3 33
A 101 I O 17.8 9.3 30.3 33 A 102 V N 16.4 9.5 32.1 33 A 102 V CA
16.1 10.9 31.8 35 A 102 V CB 14.7 11.3 32.4 37 A 102 V CG1 14.4
12.7 32.0 39 A 102 V CG2 13.7 10.4 31.8 36 A 102 V C 17.2 11.8 32.6
34 A 102 V O 17.5 11.6 33.7 35 A 103 Q N 17.7 12.8 31.8 32 A 103 Q
CA 18.7 13.7 32.4 31 A 103 Q CB 20.1 13.3 31.9 29 A 103 Q CG 20.5
12.0 32.4 27 A 103 Q CD 21.9 11.6 32.0 27 A 103 Q OE1 22.2 11.5
30.9 28 A 103 Q NE2 22.8 11.4 33.0 32 A 103 Q C 18.3 15.1 31.8 32 A
103 Q O 17.6 15.2 30.9 32 A 104 D N 19.0 16.2 32.4 32 A 104 D CA
18.7 17.5 31.9 32 A 104 D CB 19.4 18.6 32.8 34 A 104 D CG 18.8 18.7
34.2 36 A 104 D OD1 17.5 18.7 34.3 37 A 104 D OD2 19.6 18.7 35.1 37
A 104 D C 19.2 17.7 30.5 33 A 104 D O 20.3 17.1 30.1 33 A 105 L N
18.5 18.5 29.7 33 A 105 L CA 18.8 18.7 28.3 32 A 105 L CB 17.5 19.0
27.5 30 A 105 L CG 17.7 19.4 26.1 31 A 105 L CD1 18.5 18.2 25.4 29
A 105 L CD2 16.4 19.6 25.4 31 A 105 L C 19.7 20.0 28.3 33 A 105 L O
19.2 21.1 28.4 34 A 106 M N 21.0 19.8 28.0 33 A 106 M CA 21.9 20.9
27.9 33 A 106 M CB 23.3 20.5 28.2 33 A 106 M CG 23.5 20.0 29.7 32 A
106 M SD 23.2 21.4 30.9 29 A 106 M CE 24.8 22.1 31.2 29 A 106 M C
21.9 21.4 26.4 34 A 106 M O 21.5 20.7 25.5 36 A 107 E N 22.2 22.7
26.3 36 A 107 E CA 22.2 23.4 25.0 35 A 107 E CB 22.4 24.9 25.3 39 A
107 E CG 21.6 25.8 24.4 46 A 107 E CD 21.0 27.0 25.2 50 A 107 E OE1
21.6 27.4 26.2 46 A 107 E OE2 19.9 27.5 24.8 54 A 107 E C 23.2 22.9
24.0 35 A 107 E O 22.9 22.8 22.8 35 A 108 T N 24.4 22.6 24.4 32 A
108 T CA 25.5 22.1 23.5 27 A 108 T CB 26.0 23.3 22.7 25 A 108 T OG1
26.7 22.9 21.6 25 A 108 T CG2 26.9 24.2 23.6 24 A 108 T C 26.6 21.4
24.3 27 A 108 T O 26.4 21.0 25.5 24 A 109 D N 27.7 21.2 23.6 24 A
109 D CA 28.9 20.6 24.3 25 A 109 D CB 28.9 19.0 24.2 24 A 109 D CG
29.1 18.6 22.7 25 A 109 D OD1 30.2 19.0 22.2 24 A 109 D OD2 28.3
17.8 22.2 20 A 109 D C 30.2 21.2 23.8 26 A 109 D O 30.2 21.9 22.8
29 A 110 L N 31.3 21.0 24.5 25 A 110 L CA 32.5 21.6 24.2 23 A 110 L
CB 33.6 21.2 25.2 21 A 110 L CG 34.9 22.0 25.0 18 A 110 L CD1 34.6
23.5 25.1 17 A 110 L CD2 35.9 21.7 26.2 17 A 110 L C 33.0 21.2 22.8
24 A 110 L O 33.6 22.0 22.0 27 A 111 Y N 32.8 19.9 22.4 21 A 111 Y
CA 33.2 19.4 21.1 23 A 111 Y CB 32.7 18.0 20.9 25 A 111 Y CG 32.9
17.4 19.5 30 A 111 Y CD1 34.2 17.0 19.1 29 A 111 Y CE1 34.4 16.5
17.8 32 A 111 Y CD2 31.9 17.4 18.6 34 A 111 Y CE2 32.1 16.9 17.3 34
A 111 Y CZ 33.3 16.4 16.9 36 A 111 Y OH 33.5 15.9 15.6 39 A 111 Y C
32.6 20.4 20.0 24 A 111 Y O 33.4 21.0 19.3 23 A 112 K N 31.3 20.5
20.0 23 A 112 K CA 30.6 21.3 19.0 25 A 112 K CB 29.1 21.2 19.2 28 A
112 K CG 28.6 20.0 18.6 31 A 112 K CD 27.0 19.9 18.6 35 A 112 K CE
26.5 19.5 20.0 36 A 112 K NZ 25.1 19.2 19.9 40 A 112 K C 31.0 22.8
19.1 26 A 112 K O 31.2 23.5 18.1 26 A 113 L N 31.3 23.3 20.3 27 A
113 L CA 31.6 24.7 20.5 28 A 113 L CB 31.7 25.0 22.0 28 A 113 L CG
31.5 26.5 22.5 32 A 113 L CD1 31.8 26.6 23.9 31 A 113 L CD2 32.3
27.4 21.7 34 A 113 L C 33.0 25.0 19.9 30 A 113 L O 33.1 26.0 19.2
30 A 114 L N 34.0 24.1 20.2 30 A 114 L CA 35.3 24.3 19.6 29 A 114 L
CB 36.3 23.3 20.3 27 A 114 L CG 36.7 23.6 21.8 23 A 114 L CD1 37.6
22.5 22.2 19 A 114 L CD2 37.4 25.0 21.8 20 A 114 L C 35.4 24.2 18.1
31 A 114 L O 36.3 24.6 17.5 32 A 115 K N 34.4 23.5 17.6 34 A 115 K
CA 34.3 23.2 16.2 37 A 115 K CB 33.4 22.0 15.9 37 A 115 K CG 33.5
21.4 14.6 43 A 115 K CD 32.7 20.1 14.5 47 A 115 K CE 31.2 20.2 14.9
50 A 115 K NZ 30.5 21.2 14.1 52 A 115 K C 33.8 24.5 15.4 38 A 115 K
O 33.8 24.5 14.2 37 A 116 T N 33.3 25.4 16.1 38 A 116 T CA 32.7
26.6 15.5 39 A 116 T CB 31.2 26.5 15.4 40 A 116 T OG1 30.7 26.5
16.8 42 A 116 T CG2 30.8 25.2 14.8 39 A 116 T C 33.0 28.0 16.2 40 A
116 T O 32.5 29.0 15.8 41 A 117 Q N 33.9 28.0 17.2 40 A 117 Q CA
34.2 29.2 17.9 41 A 117 Q CB 33.1 29.5 18.9 45 A 117 Q CG 33.4 30.6
19.9 52 A 117 Q CD 33.2 32.0 19.3 58 A 117 Q OE1 32.2 32.2 18.6 59
A 117 Q NE2 34.2 32.9 19.5 60 A 117 Q C 35.6 29.2 18.6 39 A 117 Q O
36.0 28.2 19.1 37 A 118 H N 36.3 30.3 18.5 38 A 118 H CA 37.6 30.4
19.2 38 A 118 H CB 38.5 31.3 18.3 39 A 118 H CG 39.9 31.5 19.0 43 A
118 H CD2 41.1 30.9 18.8 43 A 118 H ND1 40.1 32.4 20.0 45 A 118 H
CE1 41.3 32.3 20.4 44 A 118 H NE2 42.0 31.5 19.7 45 A 118 H C 37.3
31.1 20.5 37 A 118 H O 36.9 32.2 20.6 41 A 119 L N 37.6 30.4 21.6
33 A 119 L CA 37.4 30.8 23.0 30 A 119 L CB 37.4 29.7 23.9 25 A 119
L CG 36.4 28.5 23.7 21 A 119 L CD1 36.7 27.4 24.7 17 A 119 L CD2
35.0 28.9 23.7 20 A 119 L C 38.4 31.9 23.4 31 A 119 L O 39.6 31.8
23.1 30 A 120 S N 37.9 32.8 24.2 32 A 120 S CA 38.7 33.9 24.8 31 A
120 S CB 37.9 35.1 25.2 31 A 120 S OG 37.0 34.8 26.2 33 A 120 S C
39.3 33.2 26.0 31 A 120 S O 38.9 32.2 26.5 30 A 121 N N 40.4 33.9
26.6 29 A 121 N CA 41.0 33.3 27.7 30 A 121 N CB 42.2 34.2 28.1 30 A
121 N CG 43.0 33.6 29.2 30 A 121 N OD1 43.3 34.2 30.2 36 A 121 N
ND2 43.5 32.4 29.0 28 A 121 N C 40.1 33.2 28.9 30 A 121 N O 40.2
32.3 29.7 28 A 122 D N 39.1 34.2 29.0 29 A 122 D CA 38.2 34.2 30.1
32 A 122 D CB 37.3 35.4 30.1 34 A 122 D CG 38.1 36.7 30.4 38 A 122
D OD1 38.8 36.7 31.4 38 A 122 D OD2 37.9 37.7 29.7 42 A 122 D C
37.3 32.9 30.1 31 A 122 D O 37.1 32.3 31.2 30 A 123 H N 36.8 32.5
28.9 29 A 123 H CA 36.0 31.3 28.8 29 A 123 H CB 35.4 31.2 27.4 29 A
123 H CG 34.2 32.1 27.2 33 A 123 H CD2 32.9 31.8 27.1 35 A 123 H
ND1 34.3 33.5 27.1 38 A 123 H CE1 33.1 34.0 26.9 37 A 123 H NE2
32.2 33.0 26.9 37 A 123 H C 36.8 30.1 29.2 26 A 123 H O 36.4 29.3
30.0 28 A 124 I N 37.9 29.9 28.5 23 A 124 I CA 38.8 28.8 28.8 21 A
124 I CB 40.1 29.0 28.1 19 A 124 I CG2 41.1 27.9 28.6 22 A 124 I
CG1 40.0 28.9 26.6 18 A 124 I CD1 41.2 29.3 25.8 14 A 124 I C 39.0
28.6 30.3 20 A 124 I O 38.8 27.6 30.8 19 A 125 C N 39.5 29.7 30.9
20 A 125 C CA 39.7 29.7 32.3 22 A 125 C CB 40.2 31.1 32.8 23 A 125
C SG 40.6 31.2 34.5 25 A 125 C C 38.5 29.3 33.2 22 A 125 C O 38.7
28.5 34.1 21 A 126 Y N 37.4 29.8 32.8 20 A 126 Y CA 36.1 29.4 33.5
21 A 126 Y CB 35.0 30.4 33.2 22 A 126 Y CG 33.7 30.1 33.9 24 A 126
Y CD1 33.7 29.8 35.3 26 A 126 Y CE1 32.5 29.6 36.0 26 A 126 Y CD2
32.5 30.2 33.3 25 A 126 Y CE2 31.3 30.0 33.9 27 A 126 Y CZ 31.3
29.7 35.3 27 A 126 Y OH 30.2 29.4 36.0 32 A 126 Y C 35.7 28.0 33.2
20 A 126 Y O 35.2 27.3 34.1 18 A 127 F N 35.9 27.5 32.0 19 A 127 F
CA 35.5 26.2 31.6 19 A 127 F CB 35.6 25.9 30.1 18 A 127 F CG 34.5
26.5 29.3 22 A 127 F CD1 33.2 26.6 29.9 17 A 127 F CD2 34.6 26.9
28.0 18 A 127 F CE1 32.1 27.1 29.2 19 A 127 F CE2 33.5 27.4 27.2 20
A 127 F CZ 32.3 27.5 27.8 21 A
127 F C 36.4 25.2 32.3 17 A 127 F O 36.0 24.1 32.8 15 A 128 L N
37.7 25.5 32.4 16 A 128 L CA 38.7 24.7 33.0 17 A 128 L CB 40.1 25.2
32.8 17 A 128 L CG 41.2 24.3 33.4 19 A 128 L CD1 41.2 23.0 32.5 21
A 128 L CD2 42.5 25.0 33.3 22 A 128 L C 38.4 24.5 34.5 18 A 128 L O
38.4 23.4 35.0 15 A 129 Y N 38.0 25.7 35.1 17 A 129 Y CA 37.7 25.6
36.5 17 A 129 Y CB 37.2 27.0 37.0 17 A 129 Y CG 36.7 27.0 38.4 16 A
129 Y CD1 37.7 26.6 39.4 17 A 129 Y CE1 37.3 26.5 40.8 19 A 129 Y
CD2 35.4 27.2 38.8 16 A 129 Y CE2 35.0 27.1 40.2 15 A 129 Y CZ 36.0
26.8 41.1 17 A 129 Y OH 35.6 26.6 42.5 15 A 129 Y C 36.5 24.6 36.8
19 A 129 Y O 36.7 23.7 37.6 18 A 130 Q N 35.4 24.8 36.0 19 A 130 Q
CA 34.3 23.9 36.2 19 A 130 Q CB 33.2 24.3 35.3 21 A 130 Q CG 32.7
25.8 35.6 19 A 130 Q CD 31.4 26.1 34.8 22 A 130 Q OE1 30.3 25.7
35.1 25 A 130 Q NE2 31.7 26.9 33.7 20 A 130 Q C 34.6 22.4 35.9 19 A
130 Q O 34.1 21.5 36.6 20 A 131 I N 35.5 22.1 35.0 18 A 131 I CA
35.9 20.8 34.7 18 A 131 I CB 36.8 20.6 33.5 16 A 131 I CG2 37.3
19.2 33.4 18 A 131 I CG1 36.1 21.1 32.2 18 A 131 I CD1 37.1 21.4
31.0 13 A 131 I C 36.6 20.2 35.9 15 A 131 I O 36.3 19.0 36.3 13 A
132 L N 37.5 20.9 36.5 14 A 132 L CA 38.3 20.5 37.6 12 A 132 L CB
39.6 21.3 37.8 9 A 132 L CG 40.6 21.1 36.7 12 A 132 L CD1 41.7 22.1
36.9 8 A 132 L CD2 41.1 19.7 36.6 10 A 132 L C 37.5 20.5 38.9 10 A
132 L O 37.8 19.7 39.9 15 A 133 R N 36.5 21.3 39.0 13 A 133 R CA
35.6 21.4 40.2 11 A 133 R CB 34.7 22.6 40.1 12 A 133 R CG 33.9 22.9
41.4 13 A 133 R CD 33.2 24.2 41.3 15 A 133 R NE 32.3 24.5 42.4 18 A
133 R CZ 30.9 24.4 42.3 21 A 133 R NH1 30.4 24.1 41.1 22 A 133 R
NH2 30.1 24.6 43.3 16 A 133 R C 34.8 20.1 40.2 13 A 133 R O 34.7
19.4 41.2 12 A 134 G N 34.3 19.8 39.0 13 A 134 G CA 33.5 18.5 38.9
14 A 134 G C 34.4 17.3 39.1 16 A 134 G O 34.0 16.4 39.8 14 A 135 L
N 35.6 17.4 38.6 15 A 135 L CA 36.6 16.2 38.8 16 A 135 L CB 37.8
16.4 37.8 15 A 135 L CG 38.8 15.2 37.8 17 A 135 L CD1 38.0 14.0
37.2 16 A 135 L CD2 40.0 15.5 36.9 9 A 135 L C 37.0 16.1 40.2 16 A
135 L O 37.4 15.0 40.6 15 A 136 K N 37.1 17.2 40.9 15 A 136 K CA
37.5 17.2 42.3 14 A 136 K CB 37.6 18.6 42.9 15 A 136 K CG 37.9 18.6
44.3 14 A 136 K CD 37.9 20.1 44.8 15 A 136 K CE 38.0 20.2 46.3 13 A
136 K NZ 38.0 21.6 46.7 14 A 136 K C 36.5 16.3 43.1 15 A 136 K O
36.9 15.5 43.8 13 A 137 Y N 35.2 16.6 42.8 17 A 137 Y CA 34.2 15.9
43.5 17 A 137 Y CB 32.8 16.5 43.1 17 A 137 Y CG 31.7 15.7 43.7 20 A
137 Y CD1 31.1 16.1 44.9 19 A 137 Y CE1 30.0 15.4 45.5 18 A 137 Y
CD2 31.1 14.6 43.1 19 A 137 Y CE2 30.1 13.9 43.6 21 A 137 Y CZ 29.5
14.3 44.8 22 A 137 Y OH 28.4 13.6 45.3 27 A 137 Y C 34.2 14.4 43.1
19 A 137 Y O 34.2 13.5 44.0 17 A 138 I N 34.4 14.1 41.8 19 A 138 I
CA 34.4 12.7 41.3 21 A 138 I CB 34.7 12.7 39.8 18 A 138 I CG2 34.8
11.2 39.3 22 A 138 I CG1 33.6 13.4 39.0 18 A 138 I CD1 33.9 13.5
37.5 15 A 138 I C 35.6 12.0 42.0 21 A 138 I O 35.3 10.9 42.6 23 A
139 H N 36.8 12.5 42.0 21 A 139 H CA 37.9 11.9 42.6 21 A 139 H CB
39.2 12.7 42.3 20 A 139 H CG 39.8 12.4 40.9 22 A 139 H CD2 39.3
11.6 39.9 23 A 139 H ND1 40.9 13.0 40.5 22 A 139 H CE1 41.2 12.6
39.2 20 A 139 H NE2 40.2 11.8 38.9 26 A 139 H C 37.8 11.7 44.1 19 A
139 H O 38.4 10.7 44.6 19 A 140 S N 37.1 12.6 44.8 19 A 140 S CA
36.9 12.5 46.2 15 A 140 S CB 36.2 13.7 46.8 15 A 140 S OG 34.9 13.8
46.3 14 A 140 S C 36.1 11.3 46.5 17 A 140 S O 36.2 10.7 47.6 18 A
141 A N 35.3 10.8 45.5 17 A 141 A CA 34.4 9.7 45.7 18 A 141 A CB
33.1 9.9 44.9 16 A 141 A C 35.1 8.4 45.3 20 A 141 A O 34.4 7.3 45.3
23 A 142 N N 36.4 8.4 45.0 20 A 142 N CA 37.1 7.3 44.5 20 A 142 N
CB 37.0 6.1 45.5 23 A 142 N CG 37.7 6.4 46.9 27 A 142 N OD1 38.7
7.1 47.0 25 A 142 N ND2 37.0 5.9 47.9 26 A 142 N C 36.7 6.8 43.1 20
A 142 N O 37.0 5.6 42.7 16 A 143 V N 36.1 7.6 42.4 17 A 143 V CA
35.6 7.3 41.0 16 A 143 V CB 34.2 7.9 40.8 17 A 143 V CG1 33.9 7.7
39.3 17 A 143 V CG2 33.2 7.1 41.6 16 A 143 V C 36.6 7.9 40.0 19 A
143 V O 37.2 9.0 40.2 17 A 144 L N 36.9 7.1 39.0 21 A 144 L CA 37.7
7.5 37.9 20 A 144 L CB 38.8 6.5 37.4 19 A 144 L CG 39.7 5.7 38.3 19
A 144 L CD1 41.0 5.4 37.5 13 A 144 L CD2 40.1 6.4 39.6 18 A 144 L C
36.7 7.6 36.7 20 A 144 L O 36.0 6.7 36.5 21 A 145 H N 36.7 8.8 36.0
19 A 145 H CA 35.8 8.9 34.9 16 A 145 H CB 35.7 10.4 34.5 14 A 145 H
CG 34.7 10.6 33.4 15 A 145 H CD2 33.4 11.2 33.5 13 A 145 H ND1 34.8
10.3 32.1 14 A 145 H CE1 33.8 10.6 31.4 17 A 145 H NE2 32.9 11.2
32.2 15 A 145 H C 36.2 8.0 33.8 19 A 145 H O 35.4 7.2 33.3 17 A 146
R N 37.4 8.2 33.3 20 A 146 R CA 38.0 7.4 32.2 18 A 146 R CB 37.7
6.0 32.4 22 A 146 R CG 38.3 5.3 33.6 19 A 146 R CD 37.5 4.1 33.8 19
A 146 R NE 38.3 2.9 34.0 17 A 146 R CZ 37.9 1.7 34.0 22 A 146 R NH1
36.5 1.5 33.9 12 A 146 R NH2 38.7 0.7 34.2 20 A 146 R C 37.7 7.8
30.8 18 A 146 R O 38.2 7.2 29.9 21 A 147 D N 36.7 8.7 30.6 17 A 147
D CA 36.4 9.0 29.2 17 A 147 D CB 35.2 8.2 28.7 15 A 147 D CG 35.1
8.1 27.2 19 A 147 D OD1 36.2 8.4 26.6 14 A 147 D OD2 34.1 7.8 26.7
16 A 147 D C 36.1 10.5 29.0 18 A 147 D O 35.3 10.9 28.3 18 A 148 L
N 37.0 11.3 29.7 15 A 148 L CA 36.9 12.7 29.6 16 A 148 L CB 37.7
13.4 30.7 16 A 148 L CG 37.0 13.9 31.9 16 A 148 L CD1 35.7 13.3
32.2 15 A 148 L CD2 38.0 13.7 33.1 13 A 148 L C 37.4 13.2 28.2 19 A
148 L O 38.5 12.8 27.8 19 A 149 K N 36.5 14.0 27.5 19 A 149 K CA
36.8 14.5 26.2 20 A 149 K CB 36.7 13.4 25.1 18 A 149 K CG 35.5 12.6
25.1 18 A 149 K CD 35.5 11.5 24.0 17 A 149 K CE 34.3 10.6 23.9 14 A
149 K NZ 34.3 9.8 22.7 19 A 149 K C 35.8 15.6 25.9 21 A 149 K O
34.7 15.7 26.5 23 A 150 P N 36.1 16.5 25.0 19 A 150 P CD 37.3 16.5
24.1 16 A 150 P CA 35.2 17.6 24.6 20 A 150 P CB 35.8 18.2 23.4 19 A
150 P CG 37.3 18.0 23.6 19 A 150 P C 33.7 17.3 24.5 19 A 150 P O
32.9 18.1 25.0 20 A 151 S N 33.3 16.2 23.9 20 A 151 S CA 31.9 15.9
23.7 20 A 151 S CB 31.7 14.9 22.6 20 A 151 S OG 32.3 13.6 22.9 29 A
151 S C 31.2 15.4 25.0 19 A 151 S O 30.0 15.1 25.0 21 A 152 N N
32.0 15.2 26.1 20 A 152 N CA 31.4 14.8 27.3 18 A 152 N CB 32.2 13.6
27.9 20 A 152 N CG 31.9 12.3 27.3 20 A 152 N OD1 30.9 12.2 26.5 23
A 152 N ND2 32.7 11.3 27.5 18 A 152 N C 31.3 15.9 28.3 18 A 152 N O
31.2 15.7 29.5 20 A 153 L N 31.5 17.1 27.8 21 A 153 L CA 31.4 18.3
28.6 20 A 153 L CB 32.7 19.1 28.5 20 A 153 L CG 34.0 18.3 28.9 21 A
153 L CD1 35.2 19.2 28.8 21 A 153 L CD2 33.8 17.9 30.4 19 A 153 L C
30.3 19.1 28.0 20 A 153 L O 30.4 19.9 27.0 22 A 154 L N 29.1 19.0
28.7 20 A 154 L CA 27.9 19.7 28.2 20 A 154 L CB 26.7 19.0 28.8 19 A
154 L CG 26.8 17.5 28.5 19 A 154 L CD1 25.6 16.7 29.2 17 A 154 L
CD2 26.8 17.2 27.0 18 A 154 L C 27.9 21.2 28.7 20 A 154 L O 28.4
21.5 29.8 19 A 155 L N 27.4 22.0 27.8 21 A 155 L CA 27.3 23.5 28.1
24 A 155 L CB 28.3 24.2 27.2 24 A 155 L CG 29.8 24.3 27.5 23 A 155
L CD1 30.3 23.2 28.4 25 A 155 L CD2 30.5 24.3 26.1 15 A 155 L C
25.9 24.0 27.8 25 A 155 L O 25.1 23.4 27.2 23 A 156 N N 25.7 25.3
28.2 28 A 156 N CA 24.5 26.0 27.9 28 A 156 N CB 23.5 25.9 29.0 28 A
156 N CG 23.9 26.5 30.3 31 A 156 N OD1 24.8 27.4 30.4 32 A 156 N
ND2 23.3 26.1 31.4 27 A 156 N C 24.9 27.4 27.7 29 A 156 N O 26.1
27.8 27.9 29 A 157 T N 24.0 28.3 27.2 32 A 157 T CA 24.2 29.7 26.8
34 A 157 T CB 22.9 30.4 26.5 36 A 157 T OG1 22.3 29.8 25.4 42 A 157
T CG2 23.1 31.9 26.3 37 A 157 T C 25.0 30.5 27.8 32 A 157 T O 25.8
31.4 27.5 34 A 158 T N 24.7 30.3 29.1 28 A 158 T CA 25.4 31.0 30.2
27 A
158 T CB 24.4 31.2 31.4 26 A 158 T OG1 23.8 29.9 31.7 30 A 158 T
CG2 23.4 32.2 31.1 28 A 158 T C 26.7 30.4 30.7 25 A 158 T O 27.2
30.8 31.8 21 A 159 C N 27.3 29.5 29.9 26 A 159 C CA 28.6 28.9 30.3
26 A 159 C CB 29.6 30.0 30.6 27 A 159 C SG 30.0 31.1 29.2 29 A 159
C C 28.6 27.9 31.4 26 A 159 C O 29.7 27.6 31.9 28 A 160 D N 27.4
27.4 31.7 26 A 160 D CA 27.4 26.3 32.8 27 A 160 D CB 26.0 26.0 33.2
30 A 160 D CG 25.4 27.1 33.9 31 A 160 D OD1 25.9 27.5 34.9 31 A 160
D OD2 24.3 27.6 33.5 31 A 160 D C 28.0 25.1 32.1 25 A 160 D O 27.7
24.9 30.9 26 A 161 L N 28.8 24.3 32.8 22 A 161 L CA 29.4 23.1 32.2
19 A 161 L CB 30.9 23.3 32.0 17 A 161 L CG 31.7 22.2 31.5 17 A 161
L CD1 33.1 22.7 30.9 16 A 161 L CD2 31.9 21.1 32.6 12 A 161 L C
29.1 21.9 33.1 17 A 161 L O 29.1 22.1 34.3 14 A 162 K N 28.9 20.8
32.5 18 A 162 K CA 28.6 19.6 33.2 20 A 162 K CB 27.1 19.3 33.3 20 A
162 K CG 26.2 20.1 34.2 19 A 162 K CD 25.2 19.3 34.8 21 A 162 K CE
24.3 20.0 35.9 20 A 162 K NZ 23.4 20.9 35.2 20 A 162 K C 29.3 18.4
32.6 19 A 162 K O 29.2 18.2 31.4 19 A 163 I N 29.9 17.6 33.4 20 A
163 I CA 30.6 16.4 33.0 20 A 163 I CB 31.7 15.9 34.0 18 A 163 I CG2
32.2 14.6 33.6 14 A 163 I CG1 32.8 17.0 34.1 17 A 163 I CD1 33.8
16.7 35.2 17 A 163 I C 29.5 15.3 32.9 21 A 163 I O 28.8 15.0 33.9
22 A 164 C N 29.4 14.6 31.8 22 A 164 C CA 28.4 13.6 31.6 21 A 164 C
CB 27.3 14.0 30.6 19 A 164 C SG 27.9 14.1 28.9 23 A 164 C C 29.1
12.3 31.1 19 A 164 C O 30.3 12.3 31.0 17 A 165 D N 28.3 11.3 30.8
22 A 165 D CA 28.8 10.0 30.2 24 A 165 D CB 29.4 10.3 28.8 27 A 165
D CG 29.6 9.0 28.0 32 A 165 D OD1 30.0 9.0 26.9 33 A 165 D OD2 29.2
7.9 28.6 32 A 165 D C 29.8 9.3 31.1 25 A 165 D O 31.0 9.3 30.8 26 A
166 F N 29.2 8.7 32.2 26 A 166 F CA 30.0 7.9 33.1 24 A 166 F CB
29.5 8.1 34.5 22 A 166 F CG 29.9 9.4 35.1 21 A 166 F CD1 29.4 10.6
34.6 19 A 166 F CD2 30.8 9.4 36.2 17 A 166 F CE1 29.8 11.8 35.2 17
A 166 F CE2 31.2 10.6 36.8 18 A 166 F CZ 30.7 11.8 36.3 19 A 166 F
C 29.9 6.4 32.7 25 A 166 F O 30.0 5.5 33.6 24 A 167 G N 29.7 6.1
31.5 26 A 167 G CA 29.6 4.7 31.0 28 A 167 G C 30.9 3.9 31.3 28 A
167 G O 30.9 2.7 31.5 31 A 168 L N 32.0 4.6 31.2 27 A 168 L CA 33.3
4.0 31.5 27 A 168 L CB 34.3 4.4 30.4 31 A 168 L CG 35.6 3.6 30.1 38
A 168 L CD1 35.2 2.2 29.7 38 A 168 L CD2 36.4 4.3 29.0 39 A 168 L C
33.8 4.2 32.9 25 A 168 L O 34.9 3.7 33.3 24 A 169 A N 33.1 5.0 33.6
24 A 169 A CA 33.5 5.3 35.0 24 A 169 A CB 32.6 6.4 35.6 22 A 169 A
C 33.6 4.1 35.9 24 A 169 A O 32.9 3.1 35.6 21 A 170 R N 34.4 4.1
36.9 24 A 170 R CA 34.6 3.0 37.8 25 A 170 R CB 35.6 2.0 37.3 28 A
170 R CG 36.3 1.1 38.3 32 A 170 R CD 37.6 0.7 37.8 32 A 170 R NE
37.7 -0.8 37.6 34 A 170 R CZ 37.9 -1.6 38.6 32 A 170 R NH1 37.9
-1.2 39.9 33 A 170 R NH2 38.0 -2.9 38.4 36 A 170 R C 35.1 3.5 39.2
26 A 170 R O 35.6 4.6 39.3 28 A 171 V N 34.9 2.6 40.2 26 A 171 V CA
35.3 2.9 41.6 25 A 171 V CB 34.3 2.4 42.6 23 A 171 V CG1 34.9 2.5
44.0 24 A 171 V CG2 33.0 3.2 42.5 20 A 171 V C 36.6 2.2 41.8 24 A
171 V O 36.8 1.0 41.4 20 A 172 A N 37.6 2.8 42.5 24 A 172 A CA 38.9
2.3 42.8 26 A 172 A CB 39.9 2.7 41.8 26 A 172 A C 39.3 2.7 44.2 28
A 172 A O 39.9 3.8 44.3 30 A 173 D N 38.9 2.0 45.2 28 A 173 D CA
39.1 2.3 46.6 29 A 173 D CB 38.5 1.2 47.5 31 A 173 D CG 38.3 1.6
48.9 31 A 173 D OD1 39.2 2.3 49.5 28 A 173 D OD2 37.3 1.2 49.5 32 A
173 D C 40.6 2.3 46.9 32 A 173 D O 41.3 1.3 46.7 33 A 174 P N 41.2
3.5 47.3 35 A 174 P CD 40.4 4.6 47.8 35 A 174 P CA 42.6 3.6 47.6 38
A 174 P CB 42.7 5.1 48.1 37 A 174 P CG 41.4 5.7 47.7 38 A 174 P C
43.1 2.6 48.6 40 A 174 P O 44.3 2.3 48.7 42 A 175 D N 42.2 2.1 49.5
42 A 175 D CA 42.7 1.2 50.6 44 A 175 D CB 41.6 1.0 51.6 43 A 175 D
CG 41.3 2.3 52.4 45 A 175 D OD1 42.3 3.1 52.6 44 A 175 D OD2 40.2
2.5 53.0 44 A 175 D C 43.0 -0.2 50.0 46 A 175 D O 43.5 -1.0 50.7 46
A 176 H N 42.8 -0.4 48.7 45 A 176 H CA 43.1 -1.6 48.1 47 A 176 H CB
41.9 -2.3 47.6 47 A 176 H CG 41.1 -3.0 48.7 49 A 176 H CD2 40.4
-2.4 49.7 51 A 176 H ND1 40.9 -4.3 48.8 50 A 176 H CE1 40.2 -4.6
49.9 51 A 176 H NE2 39.8 -3.5 50.4 52 A 176 H C 44.1 -1.4 46.9 47 A
176 H O 43.8 -0.6 46.0 48 A 177 D N 45.2 -2.1 46.9 47 A 177 D CA
46.1 -2.1 45.8 46 A 177 D CB 47.4 -2.9 46.1 49 A 177 D CG 48.2 -3.2
44.8 52 A 177 D OD1 48.7 -2.2 44.2 54 A 177 D OD2 48.4 -4.4 44.5 54
A 177 D C 45.4 -2.6 44.5 45 A 177 D O 45.0 -3.8 44.5 45 A 178 H N
45.3 -1.7 43.5 42 A 178 H CA 44.6 -2.1 42.3 39 A 178 H CB 43.7 -1.0
41.8 38 A 178 H CG 42.3 -1.0 42.5 36 A 178 H CD2 41.1 -1.5 42.0 33
A 178 H ND1 42.1 -0.5 43.7 36 A 178 H CE1 40.9 -0.7 44.1 36 A 178 H
NE2 40.2 -1.3 43.1 34 A 178 H C 45.5 -2.6 41.2 37 A 178 H O 45.1
-2.8 40.1 38 A 179 T N 46.8 -2.7 41.5 36 A 179 T CA 47.8 -3.1 40.5
37 A 179 T CB 49.2 -3.4 41.1 37 A 179 T OG1 49.6 -2.2 41.9 39 A 179
T CG2 50.2 -3.7 40.0 36 A 179 T C 47.3 -4.4 39.8 36 A 179 T O 47.0
-5.4 40.5 38 A 180 G N 47.2 -4.4 38.5 36 A 180 G CA 46.7 -5.5 37.7
34 A 180 G C 45.2 -5.8 37.7 36 A 180 G O 44.8 -6.8 37.1 38 A 181 F
N 44.4 -4.9 38.2 36 A 181 F CA 43.0 -5.1 38.2 38 A 181 F CB 42.4
-5.0 39.7 41 A 181 F CG 43.0 -6.0 40.6 44 A 181 F CD1 43.0 -7.4
40.2 46 A 181 F CD2 43.5 -5.7 41.9 44 A 181 F CE1 43.5 -8.3 41.1 47
A 181 F CE2 44.0 -6.6 42.7 45 A 181 F CZ 44.0 -7.9 42.4 48 A 181 F
C 42.1 -4.1 37.4 36 A 181 F O 40.9 -4.4 37.2 37 A 182 L N 42.7 -3.1
36.8 34 A 182 L CA 42.0 -2.2 36.0 33 A 182 L CB 42.6 -0.8 36.1 34 A
182 L CG 42.6 -0.2 37.5 34 A 182 L CD1 43.1 1.2 37.5 34 A 182 L CD2
41.3 -0.3 38.2 33 A 182 L C 41.7 -2.6 34.6 32 A 182 L O 42.6 -3.2
33.9 34 A 183 T N 40.5 -2.3 34.1 32 A 183 T CA 40.1 -2.6 32.7 28 A
183 T CB 38.7 -2.1 32.5 30 A 183 T OG1 37.8 -2.5 33.6 21 A 183 T
CG2 38.2 -2.6 31.2 22 A 183 T C 41.2 -1.9 31.8 30 A 183 T O 41.5
-0.8 31.9 28 A 184 E N 41.6 -2.7 30.7 30 A 184 E CA 42.7 -2.3 29.8
33 A 184 E CB 43.3 -3.5 29.2 33 A 184 E CG 44.7 -3.3 28.8 38 A 184
E CD 45.4 -4.6 28.3 41 A 184 E OE1 45.2 -5.7 28.8 41 A 184 E OE2
46.0 -4.5 27.2 44 A 184 E C 42.5 -1.2 28.7 33 A 184 E O 43.2 -0.1
28.8 37 A 185 Y N 41.7 -1.4 27.7 30 A 185 Y CA 41.5 -0.4 26.6 30 A
185 Y CB 41.1 -1.2 25.3 28 A 185 Y CG 41.0 -0.4 24.0 25 A 185 Y CD1
42.2 0.0 23.3 25 A 185 Y CE1 42.2 0.6 22.1 22 A 185 Y CD2 39.8 -0.2
23.3 24 A 185 Y CE2 39.8 0.5 22.0 23 A 185 Y CZ 41.0 0.9 21.4 23 A
185 Y OH 40.9 1.6 20.2 21 A 185 Y C 40.5 0.7 27.0 29 A 185 Y O 39.4
0.7 26.4 32 A 186 V N 40.9 1.6 27.9 30 A 186 V CA 40.0 2.7 28.3 27
A 186 V CB 40.0 2.8 29.8 29 A 186 V CG1 39.5 1.4 30.4 30 A 186 V
CG2 41.4 3.1 30.4 29 A 186 V C 40.4 4.1 27.8 26 A 186 V O 41.4 4.3
27.2 18 A 187 A N 39.4 5.0 27.9 25 A 187 A CA 39.5 6.4 27.4 24 A
187 A CB 40.8 7.0 28.0 23 A 187 A C 39.5 6.4 25.9 24 A 187 A O 39.9
5.4 25.2 25 A 188 T N 39.1 7.6 25.3 22 A 188 T CA 39.1 7.7 23.9 19
A 188 T CB 38.1 8.9 23.5 20 A 188 T OG1 36.8 8.5 23.9 21 A 188 T
CG2 38.2 9.2 22.0 17 A 188 T C 40.6 8.0 23.5 20 A 188 T O 41.2 8.8
24.0 18 A 189 R N 41.0 7.3 22.4 20 A 189 R CA 42.4 7.4 22.0 20 A
189 R CB 42.5 6.9 20.5 21 A 189 R CG 44.0 6.6 20.2 22 A 189 R CD
44.2 6.4 18.7 24 A 189 R NE 43.3 5.5 18.1 23 A 189 R CZ 42.6 5.6
17.0 25 A 189 R NH1 42.9 6.7 16.2 19 A 189 R NH2 41.8 4.7 16.5 21 A
189 R C 43.1 8.7 22.1 20 A 189 R O 44.1 8.8 22.8 19 A 190 W N 42.6
9.8 21.5 18 A 190 W CA 43.3 11.1 21.6 19 A 190 W CB 42.6 12.1 20.8
17 A
190 W CG 42.4 11.8 19.3 20 A 190 W CD2 41.6 12.5 18.4 18 A 190 W
CE2 41.8 11.9 17.1 18 A 190 W CE3 40.7 13.6 18.5 22 A 190 W CD1
43.1 10.9 18.6 19 A 190 W NE1 42.7 10.9 17.3 18 A 190 W CZ2 41.1
12.4 15.9 16 A 190 W CZ3 40.0 14.0 17.3 21 A 190 W CH2 40.3 13.4
16.1 21 A 190 W C 43.5 11.6 23.0 17 A 190 W O 44.4 12.3 23.2 20 A
191 Y N 42.7 11.1 23.9 17 A 191 Y CA 42.7 11.6 25.3 16 A 191 Y CB
41.3 12.0 25.7 14 A 191 Y CG 40.7 13.0 24.8 18 A 191 Y CD1 40.0
12.6 23.6 19 A 191 Y CE1 39.6 13.5 22.6 18 A 191 Y CD2 41.0 14.4
24.9 18 A 191 Y CE2 40.6 15.3 23.9 14 A 191 Y CZ 39.9 14.9 22.8 19
A 191 Y OH 39.6 15.7 21.8 18 A 191 Y C 43.3 10.5 26.3 15 A 191 Y O
43.2 10.6 27.5 15 A 192 R N 43.9 9.5 25.7 15 A 192 R CA 44.5 8.4
26.4 14 A 192 R CB 44.6 7.2 25.5 18 A 192 R CG 44.7 5.8 26.2 20 A
192 R CD 43.6 4.9 25.6 22 A 192 R NE 44.0 4.4 24.3 26 A 192 R CZ
43.1 3.9 23.4 26 A 192 R NH1 41.8 3.8 23.6 21 A 192 R NH2 43.6 3.5
22.2 23 A 192 R C 45.9 8.7 27.0 13 A 192 R O 46.8 9.1 26.3 17 A 193
A N 46.0 8.6 28.3 12 A 193 A CA 47.3 8.9 29.0 12 A 193 A CB 47.1
8.9 30.5 14 A 193 A C 48.3 7.8 28.6 15 A 193 A O 48.0 6.7 28.3 11 A
194 P N 49.6 8.2 28.6 16 A 194 P CD 50.2 9.5 29.2 12 A 194 P CA
50.6 7.3 28.3 16 A 194 P CB 51.9 8.1 28.5 15 A 194 P CG 51.5 9.5
28.5 15 A 194 P C 50.6 6.0 29.1 18 A 194 P O 50.7 4.9 28.5 18 A 195
E N 50.4 6.1 30.4 17 A 195 E CA 50.4 4.9 31.2 18 A 195 E CB 50.3
5.3 32.7 15 A 195 E CG 49.0 5.9 33.2 13 A 195 E CD 49.1 7.4 33.2 17
A 195 E OE1 49.9 8.0 32.5 20 A 195 E OE2 48.2 8.0 33.9 19 A 195 E C
49.3 3.9 30.9 19 A 195 E O 49.5 2.7 31.2 21 A 196 I N 48.2 4.3 30.2
20 A 196 I CA 47.2 3.3 29.9 22 A 196 I CB 46.0 4.0 29.3 24 A 196 I
CG2 45.1 3.0 28.5 23 A 196 I CG1 45.2 4.7 30.4 23 A 196 I CD1 44.1
5.6 29.9 23 A 196 I C 47.8 2.3 28.9 23 A 196 I O 47.4 1.2 28.8 24 A
197 M N 48.8 2.8 28.1 25 A 197 M CA 49.5 2.0 27.1 22 A 197 M CB
50.0 2.8 25.9 23 A 197 M CG 49.1 3.1 24.8 28 A 197 M SD 48.1 4.6
25.0 32 A 197 M CE 49.3 5.8 24.5 30 A 197 M C 50.8 1.3 27.7 23 A
197 M O 51.1 0.2 27.3 21 A 198 L N 51.4 1.9 28.7 24 A 198 L CA 52.6
1.4 29.3 25 A 198 L CB 53.7 2.5 29.5 27 A 198 L CG 54.4 3.2 28.3 28
A 198 L CD1 54.5 2.3 27.1 24 A 198 L CD2 53.7 4.5 27.9 27 A 198 L C
52.5 0.6 30.6 24 A 198 L O 53.4 -0.1 31.0 25 A 199 N N 51.3 0.8
31.2 24 A 199 N CA 51.1 0.1 32.5 24 A 199 N CB 51.4 1.0 33.7 23 A
199 N CG 51.3 0.3 35.0 25 A 199 N OD1 51.3 1.0 36.1 25 A 199 N ND2
51.3 -1.0 35.0 23 A 199 N C 49.6 -0.3 32.4 26 A 199 N O 48.8 -0.1
33.4 27 A 200 S N 49.2 -0.8 31.3 29 A 200 S CA 47.8 -1.2 30.9 31 A
200 S CB 47.9 -2.3 29.9 32 A 200 S OG 48.5 -3.5 30.4 34 A 200 S C
46.9 -1.6 32.0 30 A 200 S O 45.7 -1.2 31.9 30 A 201 K N 47.3 -2.2
33.1 27 A 201 K CA 46.4 -2.6 34.1 28 A 201 K CB 46.2 -4.1 34.2 28 A
201 K CG 45.9 -4.8 32.8 30 A 201 K CD 45.1 -6.1 33.0 34 A 201 K CE
43.7 -5.8 33.6 37 A 201 K NZ 42.9 -6.9 33.9 39 A 201 K C 46.7 -2.0
35.5 26 A 201 K O 46.0 -2.4 36.5 25 A 202 G N 47.6 -1.1 35.6 23 A
202 G CA 47.9 -0.5 36.8 23 A 202 G C 47.9 1.0 36.9 25 A 202 G O
48.5 1.6 37.7 24 A 203 Y N 47.1 1.6 36.0 26 A 203 Y CA 47.0 3.1
35.9 24 A 203 Y CB 46.4 3.6 34.6 22 A 203 Y CG 45.1 3.0 34.3 20 A
203 Y CD1 43.9 3.5 34.9 18 A 203 Y CE1 42.7 3.0 34.6 13 A 203 Y CD2
45.0 1.9 33.4 17 A 203 Y CE2 43.7 1.3 33.1 12 A 203 Y CZ 42.6 1.9
33.7 14 A 203 Y OH 41.3 1.3 33.5 15 A 203 Y C 46.1 3.5 37.1 26 A
203 Y O 45.5 2.6 37.8 26 A 204 T N 46.0 4.8 37.3 25 A 204 T CA 45.2
5.3 38.4 20 A 204 T CB 46.1 5.9 39.6 22 A 204 T OG1 46.7 7.1 39.1
21 A 204 T CG2 47.1 4.9 40.0 21 A 204 T C 44.3 6.5 37.9 21 A 204 T
O 44.2 6.7 36.7 20 A 205 K N 43.7 7.1 38.9 21 A 205 K CA 42.8 8.3
38.6 21 A 205 K CB 42.3 8.8 40.0 26 A 205 K CG 43.4 9.5 40.8 28 A
205 K CD 43.1 9.6 42.3 33 A 205 K CE 41.8 10.2 42.6 35 A 205 K NZ
41.4 10.0 44.0 37 A 205 K C 43.5 9.4 37.9 20 A 205 K O 42.8 10.2
37.2 20 A 206 S N 44.8 9.5 37.9 20 A 206 S CA 45.5 10.6 37.2 20 A
206 S CB 47.0 10.8 37.6 23 A 206 S OG 47.8 9.8 37.0 27 A 206 S C
45.3 10.6 35.7 19 A 206 S O 45.7 11.6 35.0 21 A 207 I N 44.8 9.5
35.1 16 A 207 I CA 44.6 9.5 33.7 17 A 207 I CB 44.2 8.1 33.1 16 A
207 I CG2 45.1 7.0 33.7 14 A 207 I CG1 42.7 7.7 33.6 19 A 207 I CD1
42.2 6.4 33.1 18 A 207 I C 43.5 10.5 33.3 17 A 207 I O 43.4 11.0
32.2 18 A 208 D N 42.7 10.8 34.3 17 A 208 D CA 41.6 11.8 34.1 15 A
208 D CB 40.6 11.8 35.2 16 A 208 D CG 39.6 10.6 35.2 15 A 208 D OD1
39.3 10.2 34.1 12 A 208 D OD2 39.3 10.1 36.3 19 A 208 D C 42.2 13.2
34.0 16 A 208 D O 41.7 14.0 33.2 17 A 209 I N 43.3 13.4 34.8 14 A
209 I CA 44.0 14.7 34.8 15 A 209 I CB 45.0 14.8 35.9 15 A 209 I CG2
45.9 16.1 35.7 16 A 209 I CG1 44.4 14.8 37.3 17 A 209 I CD1 43.6
16.1 37.5 19 A 209 I C 44.7 14.9 33.4 16 A 209 I O 44.7 16.0 32.8
17 A 210 W N 45.2 13.8 32.9 16 A 210 W CA 45.9 13.8 31.6 16 A 210 W
CB 46.5 12.4 31.2 16 A 210 W CG 47.0 12.4 29.8 15 A 210 W CD2 48.4
12.7 29.5 12 A 210 W CE2 48.5 12.6 28.1 13 A 210 W CE3 49.5 13.0
30.2 14 A 210 W CD1 46.4 12.2 28.7 15 A 210 W NE1 47.2 12.3 27.6 13
A 210 W CZ2 49.7 12.8 27.4 15 A 210 W CZ3 50.7 13.2 29.6 14 A 210 W
CH2 50.8 13.1 28.2 15 A 210 W C 44.9 14.2 30.5 16 A 210 W O 45.2
15.0 29.6 14 A 211 S N 43.7 13.7 30.6 17 A 211 S CA 42.6 14.0 29.7
17 A 211 S CB 41.4 13.2 30.0 16 A 211 S OG 41.6 11.8 29.6 12 A 211
S C 42.3 15.5 29.7 16 A 211 S O 42.1 16.1 28.7 18 A 212 V N 42.1
16.0 30.9 15 A 212 V CA 41.8 17.4 31.1 16 A 212 V CB 41.6 17.8 32.5
17 A 212 V CG1 41.4 19.4 32.6 17 A 212 V CG2 40.5 17.1 33.2 15 A
212 V C 42.9 18.2 30.4 19 A 212 V O 42.6 19.3 29.8 18 A 213 G N
44.1 17.7 30.5 20 A 213 G CA 45.2 18.3 29.9 19 A 213 G C 45.0 18.4
28.4 19 A 213 G O 45.2 19.5 27.8 23 A 214 C N 44.6 17.3 27.8 17 A
214 C CA 44.4 17.3 26.3 17 A 214 C CB 44.0 15.9 25.8 16 A 214 C SG
45.2 14.7 26.1 17 A 214 C C 43.2 18.3 26.0 17 A 214 C O 43.3 19.0
25.0 18 A 215 I N 42.2 18.4 26.9 20 A 215 I CA 41.1 19.3 26.7 18 A
215 I CB 40.0 18.9 27.6 15 A 215 I CG2 38.9 20.0 27.6 11 A 215 I
CG1 39.4 17.6 27.3 13 A 215 I CD1 38.5 17.0 28.4 13 A 215 I C 41.5
20.7 26.8 20 A 215 I O 41.0 21.6 26.0 22 A 216 L N 42.4 21.1 27.7
19 A 216 L CA 42.8 22.4 27.8 19 A 216 L CB 43.8 22.6 29.0 19 A 216
L CG 44.0 23.9 29.7 19 A 216 L CD1 45.5 24.0 30.1 18 A 216 L CD2
43.6 25.1 28.9 13 A 216 L C 43.5 22.8 26.5 21 A 216 L O 43.2 23.8
25.9 23 A 217 A N 44.4 22.0 26.0 21 A 217 A CA 45.2 22.3 24.8 21 A
217 A CB 46.1 21.1 24.5 22 A 217 A C 44.2 22.5 23.6 23 A 217 A O
44.4 23.3 22.8 22 A 218 E N 43.1 21.8 23.6 21 A 218 E CA 42.1 21.9
22.5 22 A 218 E CB 41.1 20.8 22.5 21 A 218 E CG 40.9 20.2 21.1 24 A
218 E CD 40.2 18.9 21.1 23 A 218 E OE1 40.7 17.9 21.6 21 A 218 E
OE2 39.1 18.8 20.4 25 A 218 E C 41.4 23.3 22.7 22 A 218 E O 41.1
23.9 21.6 24 A 219 M N 41.1 23.7 23.9 22 A 219 M CA 40.4 25.0 24.1
22 A 219 M CB 40.0 25.2 25.6 20 A 219 M CG 38.9 24.2 26.0 22 A 219
M SD 38.1 24.7 27.6 18 A 219 M CE 39.2 24.0 28.8 20 A 219 M C 41.3
26.1 23.7 20 A 219 M O 40.9 27.2 23.3 21 A 220 L N 42.6 25.9 23.8
22 A 220 L CA 43.6 26.9 23.4 22 A 220 L CB 44.9 26.6 24.1 19 A 220
L CG 45.0 26.8 25.7 16 A 220 L CD1 46.3 26.0 26.2 13 A 220 L CD2
45.1 28.2 26.1 16 A 220 L C 43.9 27.1 21.9 22 A 220 L O 44.3 28.1
21.5 23 A 221 S N 43.6 26.0 21.2 21 A 221 S CA 43.9 26.0 19.8 22 A
221 S CB 45.2 25.3 19.5 26 A 221 S OG 45.0 23.9 19.7 29 A
221 S C 42.8 25.4 18.8 23 A 221 S O 43.0 25.5 17.6 25 A 222 N N
41.8 24.9 19.4 21 A 222 N CA 40.7 24.3 18.6 23 A 222 N CB 40.1 25.4
17.6 21 A 222 N CG 39.4 26.5 18.4 22 A 222 N OD1 40.1 27.4 18.9 20
A 222 N ND2 38.1 26.4 18.5 23 A 222 N C 41.2 23.1 17.8 22 A 222 N O
40.7 22.9 16.7 22 A 223 R N 42.2 22.4 18.3 24 A 223 R CA 42.7 21.3
17.5 25 A 223 R CB 44.0 21.8 16.7 31 A 223 R CG 44.2 21.0 15.5 39 A
223 R CD 45.7 21.3 15.0 43 A 223 R NE 46.6 20.5 15.8 49 A 223 R CZ
46.8 19.1 15.7 50 A 223 R NH1 46.0 18.5 14.8 51 A 223 R NH2 47.7
18.5 16.4 45 A 223 R C 43.2 20.2 18.5 23 A 223 R O 43.8 20.6 19.6
22 A 224 P N 42.9 18.9 18.2 21 A 224 P CD 42.1 18.3 17.2 19 A 224 P
CA 43.4 18.0 19.2 16 A 224 P CB 42.8 16.6 18.7 13 A 224 P CG 42.6
16.9 17.2 22 A 224 P C 44.9 18.0 19.2 14 A 224 P O 45.5 18.1 18.1
14 A 225 I N 45.6 17.9 20.3 12 A 225 I CA 47.0 18.0 20.5 14 A 225 I
CB 47.4 18.5 21.9 17 A 225 I CG2 46.9 17.5 23.0 15 A 225 I CG1 48.9
18.7 22.1 19 A 225 I CD1 49.4 19.9 21.2 24 A 225 I C 47.7 16.6 20.1
16 A 225 I O 48.8 16.7 19.6 15 A 226 F N 47.1 15.5 20.4 16 A 226 F
CA 47.7 14.2 20.1 11 A 226 F CB 47.9 13.4 21.4 13 A 226 F CG 48.8
14.2 22.4 13 A 226 F CD1 50.0 14.8 22.0 15 A 226 F CD2 48.3 14.3
23.7 12 A 226 F CE1 50.7 15.5 22.9 14 A 226 F CE2 49.1 15.0 24.6 14
A 226 F CZ 50.3 15.6 24.3 10 A 226 F C 46.7 13.4 19.2 14 A 226 F O
46.2 12.3 19.7 13 A 227 P N 46.5 13.7 18.0 14 A 227 P CD 47.1 14.9
17.2 13 A 227 P CA 45.6 13.0 17.1 16 A 227 P CB 45.3 14.0 16.0 13 A
227 P CG 46.6 14.7 15.8 13 A 227 P C 46.1 11.6 16.6 18 A 227 P O
46.3 11.4 15.4 20 A 228 G N 46.3 10.7 17.5 17 A 228 G CA 46.8 9.4
17.1 18 A 228 G C 45.9 8.7 16.1 19 A 228 G O 44.6 8.9 16.3 19 A 229
K N 46.4 7.9 15.2 18 A 229 K CA 45.6 7.2 14.2 22 A 229 K CB 46.2
7.3 12.8 23 A 229 K CG 46.4 8.8 12.4 29 A 229 K CD 47.3 8.9 11.2 36
A 229 K CE 47.3 10.3 10.6 36 A 229 K NZ 48.2 10.4 9.5 37 A 229 K C
45.2 5.8 14.6 21 A 229 K O 44.3 5.2 14.1 24 A 230 H N 46.1 5.1 15.4
21 A 230 H CA 45.9 3.8 15.8 20 A 230 H CB 46.7 2.8 14.9 21 A 230 H
CG 46.3 2.9 13.4 25 A 230 H CD2 46.9 3.4 12.4 24 A 230 H ND1 45.1
2.4 13.0 26 A 230 H CE1 45.0 2.7 11.7 26 A 230 H NE2 46.1 3.3 11.3
24 A 230 H C 46.4 3.7 17.2 18 A 230 H O 46.9 4.7 17.7 20 A 231 Y N
46.3 2.5 17.8 19 A 231 Y CA 46.7 2.3 19.2 18 A 231 Y CB 46.6 0.9
19.6 16 A 231 Y CG 46.8 0.6 21.0 21 A 231 Y CD1 45.9 1.1 22.0 18 A
231 Y CE1 46.0 0.8 23.3 22 A 231 Y CD2 47.8 -0.2 21.5 23 A 231 Y
CE2 48.0 -0.5 22.8 22 A 231 Y CZ 47.1 0.0 23.7 21 A 231 Y OH 47.3
-0.3 25.1 23 A 231 Y C 48.1 2.8 19.6 18 A 231 Y O 48.3 3.7 20.4 14
A 232 L N 49.1 2.3 19.0 17 A 232 L CA 50.5 2.7 19.3 19 A 232 L CB
51.5 1.6 18.7 20 A 232 L CG 51.4 0.2 19.3 22 A 232 L CD1 52.5 -0.6
18.7 23 A 232 L CD2 51.5 0.2 20.8 21 A 232 L C 50.8 4.0 18.7 21 A
232 L O 51.6 4.8 19.3 19 A 233 D N 50.2 4.4 17.6 22 A 233 D CA 50.5
5.7 17.0 22 A 233 D CB 49.7 5.9 15.7 23 A 233 D CG 50.1 7.1 14.9 26
A 233 D OD1 51.3 7.3 14.6 26 A 233 D OD2 49.2 8.0 14.6 28 A 233 D C
50.2 6.8 17.9 21 A 233 D O 50.7 7.9 17.9 22 A 234 Q N 49.2 6.6 18.9
20 A 234 Q CA 48.8 7.6 19.9 20 A 234 Q CB 47.7 7.0 20.8 21 A 234 Q
CG 47.2 8.0 21.8 22 A 234 Q CD 46.7 9.2 21.2 22 A 234 Q OE1 45.9
9.2 20.2 23 A 234 Q NE2 47.0 10.4 21.8 21 A 234 Q C 50.0 8.0 20.7
20 A 234 Q O 50.3 9.1 21.0 20 A 235 L N 50.8 6.9 21.1 20 A 235 L CA
52.0 7.2 21.9 20 A 235 L CB 52.6 5.8 22.4 17 A 235 L CG 53.8 5.9
23.3 19 A 235 L CD1 53.5 6.7 24.5 18 A 235 L CD2 54.1 4.4 23.7 18 A
235 L C 53.0 8.0 21.2 19 A 235 L O 53.7 8.9 21.8 18 A 236 N N 53.2
7.9 19.9 19 A 236 N CA 54.1 8.6 19.1 19 A 236 N CB 54.3 8.0 17.7 23
A 236 N CG 55.1 6.7 17.8 27 A 236 N OD1 56.1 6.6 18.5 29 A 236 N
ND2 54.6 5.7 17.0 27 A 236 N C 53.8 10.1 19.0 18 A 236 N O 54.7
10.9 19.0 21 A 237 H N 52.5 10.4 18.9 16 A 237 H CA 52.1 11.8 18.9
14 A 237 H CB 50.6 11.9 18.5 13 A 237 H CG 50.3 11.6 17.1 12 A 237
H CD2 50.1 10.4 16.5 12 A 237 H ND1 50.2 12.5 16.1 12 A 237 H CE1
50.0 11.9 14.9 10 A 237 H NE2 49.9 10.6 15.1 15 A 237 H C 52.3 12.5
20.2 13 A 237 H O 52.6 13.7 20.3 17 A 238 I N 52.2 11.7 21.3 12 A
238 I CA 52.5 12.2 22.6 13 A 238 I CB 52.1 11.2 23.7 10 A 238 I CG2
52.6 11.7 25.1 8 A 238 I CG1 50.6 11.1 23.6 11 A 238 I CD1 50.0
10.0 24.6 9 A 238 I C 54.0 12.5 22.7 13 A 238 I O 54.4 13.6 23.1 13
A 239 L N 54.9 11.6 22.3 15 A 239 L CA 56.3 11.8 22.4 17 A 239 L CB
57.1 10.5 22.1 15 A 239 L CG 56.8 9.4 23.1 19 A 239 L CD1 57.8 8.3
22.9 18 A 239 L CD2 57.0 10.0 24.5 16 A 239 L C 56.7 12.9 21.4 17 A
239 L O 57.7 13.5 21.5 15 A 240 G N 55.9 13.1 20.4 19 A 240 G CA
56.1 14.1 19.4 20 A 240 G C 56.1 15.5 20.0 21 A 240 G O 56.7 16.4
19.5 20 A 241 I N 55.4 15.6 21.1 21 A 241 I CA 55.3 16.9 21.8 19 A
241 I CB 53.9 17.2 22.2 19 A 241 I CG2 53.8 18.5 23.1 18 A 241 I
CG1 53.0 17.4 21.0 21 A 241 I CD1 53.4 18.6 20.1 21 A 241 I C 56.2
16.9 23.1 19 A 241 I O 57.0 17.9 23.3 18 A 242 L N 56.1 15.9 24.0
20 A 242 L CA 56.9 15.9 25.2 20 A 242 L CB 56.3 14.9 26.2 20 A 242
L CG 54.9 15.1 26.7 24 A 242 L CD1 54.7 14.3 27.9 20 A 242 L CD2
54.6 16.6 27.0 22 A 242 L C 58.4 15.5 25.0 20 A 242 L O 59.2 15.8
25.8 18 A 243 G N 58.6 14.8 23.9 19 A 243 G CA 59.9 14.3 23.6 18 A
243 G C 60.0 12.9 24.3 20 A 243 G O 59.1 12.5 25.0 19 A 244 S N
61.2 12.3 24.1 20 A 244 S CA 61.4 11.0 24.8 22 A 244 S CB 62.7 10.4
24.3 21 A 244 S OG 62.7 10.1 23.0 27 A 244 S C 61.4 11.1 26.3 22 A
244 S O 61.8 12.2 26.8 21 A 245 P N 60.9 10.1 27.0 24 A 245 P CD
60.4 8.8 26.6 22 A 245 P CA 60.9 10.3 28.5 25 A 245 P CB 60.1 9.0
29.0 23 A 245 P CG 59.5 8.4 27.7 27 A 245 P C 62.3 10.3 29.0 25 A
245 P O 63.2 9.8 28.4 25 A 246 S N 62.5 10.9 30.2 27 A 246 S CA
63.8 11.0 30.8 28 A 246 S CB 63.8 11.9 32.0 25 A 246 S OG 63.0 11.3
33.0 25 A 246 S C 64.2 9.5 31.2 32 A 246 S O 63.3 8.7 31.4 30 A 247
Q N 65.4 9.2 31.4 37 A 247 Q CA 65.9 7.9 31.8 41 A 247 Q CB 67.4
7.9 32.0 43 A 247 Q CG 68.0 6.5 31.8 50 A 247 Q CD 67.5 5.5 32.8 54
A 247 Q OE1 67.5 5.7 34.0 56 A 247 Q NE2 67.1 4.3 32.3 55 A 247 Q C
65.1 7.5 33.1 40 A 247 Q O 64.7 6.4 33.2 38 A 248 E N 64.9 8.5 34.0
41 A 248 E CA 64.3 8.2 35.2 42 A 248 E CB 64.4 9.5 36.1 44 A 248 E
CG 63.7 9.4 37.5 49 A 248 E CD 64.1 10.6 38.4 53 A 248 E OE1 65.2
10.7 38.8 54 A 248 E OE2 63.1 11.4 38.7 54 A 248 E C 62.8 7.9 35.1
41 A 248 E O 62.3 7.0 35.8 42 A 249 D N 62.1 8.5 34.1 38 A 249 D CA
60.7 8.2 33.9 36 A 249 D CB 60.0 9.3 33.0 33 A 249 D CG 60.0 10.6
33.6 33 A 249 D OD1 59.8 10.7 34.9 32 A 249 D OD2 60.0 11.6 32.9 35
A 249 D C 60.6 6.8 33.2 35 A 249 D O 59.6 6.1 33.5 35 A 250 L N
61.5 6.5 32.3 35 A 250 L CA 61.6 5.3 31.6 36 A 250 L CB 62.8 5.2
30.7 35 A 250 L CG 62.5 4.8 29.2 39 A 250 L CD1 62.0 3.4 29.1 41 A
250 L CD2 61.6 5.8 28.6 41 A 250 L C 61.7 4.1 32.6 36 A 250 L O
61.0 3.1 32.5 36 A 251 N N 62.5 4.3 33.7 36 A 251 N CA 62.7 3.3
34.7 38 A 251 N CB 63.9 3.7 35.5 39 A 251 N CG 65.2 3.5 34.8 41 A
251 N OD1 66.2 3.9 35.2 42 A 251 N ND2 65.1 3.0 33.5 38 A 251 N C
61.5 3.1 35.6 38 A 251 N O 61.4 2.1 36.3 41 A 252 C N 60.5 3.9 35.5
35 A 252 C CA 59.3 3.8 36.3 35 A 252 C CB 58.6 5.1 36.6 33 A 252 C
SG 59.4 6.2 37.7 31 A 252 C C 58.3 2.8 35.7 35 A 252 C O 57.4 2.3
36.3 33 A 253 I N 58.6 2.5 34.4 35 A 253 I CA 57.8 1.5 33.6 34 A
253 I CB 58.0 1.7 32.1 33 A 253 I CG2 57.3 0.6 31.3 31 A
253 I CG1 57.6 3.1 31.6 30 A 253 I CD1 56.2 3.4 31.9 28 A 253 I C
58.2 0.2 34.1 36 A 253 I O 59.4 -0.2 33.8 37 A 254 I N 57.4 -0.6
34.7 37 A 254 I CA 57.7 -1.9 35.2 39 A 254 I CB 56.8 -2.3 36.4 40 A
254 I CG2 57.2 -3.7 36.9 37 A 254 I CG1 57.0 -1.3 37.5 40 A 254 I
CD1 56.0 -1.4 38.6 43 A 254 I C 57.6 -3.0 34.1 41 A 254 I O 58.4
-3.8 34.0 42 A 255 N N 56.5 -2.9 33.4 40 A 255 N CA 56.2 -3.9 32.3
40 A 255 N CB 54.9 -3.5 31.5 41 A 255 N CG 54.6 -4.5 30.4 43 A 255
N OD1 54.0 -5.5 30.6 43 A 255 N ND2 55.0 -4.1 29.2 42 A 255 N C
57.4 -3.9 31.3 39 A 255 N O 57.6 -2.8 30.7 38 A 256 L N 58.1 -5.0
31.2 38 A 256 L CA 59.3 -5.0 30.4 38 A 256 L CB 60.1 -6.3 30.7 39 A
256 L CG 61.2 -6.1 31.7 39 A 256 L CD1 60.8 -5.2 32.9 37 A 256 L
CD2 61.7 -7.5 32.1 39 A 256 L C 59.0 -4.9 28.9 38 A 256 L O 59.9
-4.5 28.1 38 A 257 K N 57.8 -5.4 28.4 36 A 257 K CA 57.5 -5.3 27.0
37 A 257 K CB 56.3 -6.0 26.7 39 A 257 K CG 56.1 -7.3 27.5 49 A 257
K CD 57.3 -8.3 27.4 52 A 257 K CE 57.2 -9.4 28.3 55 A 257 K NZ 55.9
-10.3 28.1 55 A 257 K C 57.4 -3.8 26.7 35 A 257 K O 57.9 -3.3 25.7
36 A 258 A N 56.7 -3.1 27.6 31 A 258 A CA 56.5 -1.7 27.4 29 A 258 A
CB 55.5 -1.2 28.5 28 A 258 A C 57.8 -0.9 27.6 29 A 258 A O 58.1
-0.1 26.8 26 A 259 R N 58.5 -1.3 28.6 30 A 259 R CA 59.8 -0.6 28.8
31 A 259 R CB 60.6 -1.3 30.0 33 A 259 R CG 61.6 -0.3 30.7 40 A 259
R CD 62.7 -1.0 31.3 46 A 259 R NE 63.0 -0.5 32.7 51 A 259 R CZ 62.3
-0.9 33.7 53 A 259 R NH1 61.3 -1.8 33.7 54 A 259 R NH2 62.6 -0.3
34.9 54 A 259 R C 60.7 -0.8 27.6 29 A 259 R O 61.1 0.2 27.0 30 A
260 N N 60.9 -2.0 27.1 28 A 260 N CA 61.7 -2.3 26.0 29 A 260 N CB
61.9 -3.8 25.8 30 A 260 N CG 62.8 -4.4 26.9 29 A 260 N OD1 63.9
-3.9 27.3 30 A 260 N ND2 62.4 -5.5 27.4 31 A 260 N C 61.2 -1.7 24.7
29 A 260 N O 61.9 -1.4 23.8 29 A 261 Y N 59.8 -1.5 24.6 28 A 261 Y
CA 59.3 -0.8 23.4 29 A 261 Y CB 57.7 -0.9 23.5 26 A 261 Y CG 57.1
-0.1 22.4 26 A 261 Y CD1 57.2 -0.5 21.0 26 A 261 Y CE1 56.6 0.2
20.0 27 A 261 Y CD2 56.5 1.1 22.6 27 A 261 Y CE2 55.9 1.9 21.6 23 A
261 Y CZ 55.9 1.4 20.3 25 A 261 Y OH 55.4 2.2 19.3 23 A 261 Y C
59.7 0.6 23.4 30 A 261 Y O 60.1 1.2 22.4 32 A 262 L N 59.7 1.3 24.6
30 A 262 L CA 60.1 2.7 24.7 29 A 262 L CB 59.9 3.2 26.1 26 A 262 L
CG 58.5 3.7 26.5 30 A 262 L CD1 58.5 4.2 27.9 29 A 262 L CD2 58.0
4.7 25.5 31 A 262 L C 61.6 2.9 24.3 31 A 262 L O 62.0 3.8 23.7 29 A
263 L N 62.4 1.9 24.7 34 A 263 L CA 63.8 1.9 24.4 36 A 263 L CB
64.6 0.9 25.2 35 A 263 L CG 65.0 1.1 26.7 39 A 263 L CD1 65.7 2.4
26.8 37 A 263 L CD2 63.7 1.2 27.6 39 A 263 L C 64.1 1.7 22.9 36 A
263 L O 65.2 2.1 22.4 37 A 264 S N 63.1 1.1 22.3 33 A 264 S CA 63.3
0.9 20.8 33 A 264 S CB 62.3 -0.3 20.4 32 A 264 S OG 61.1 0.2 20.0
32 A 264 S C 63.0 2.1 20.0 33 A 264 S O 63.6 2.3 18.9 32 A 265 L N
62.1 2.9 20.5 35 A 265 L CA 61.7 4.2 19.8 35 A 265 L CB 60.6 4.9
20.5 35 A 265 L CG 59.1 4.4 20.2 38 A 265 L CD1 59.0 2.9 20.0 36 A
265 L CD2 58.2 4.8 21.4 34 A 265 L C 62.9 5.1 19.5 35 A 265 L O
63.7 5.4 20.4 34 A 266 P N 62.9 5.7 18.3 36 A 266 P CD 62.1 5.5
17.2 36 A 266 P CA 64.0 6.7 18.0 36 A 266 P CB 63.8 6.9 16.5 37 A
266 P CG 62.4 6.7 16.3 38 A 266 P C 63.7 7.9 18.8 36 A 266 P O 62.6
8.4 18.9 36 A 267 H N 64.8 8.5 19.4 34 A 267 H CA 64.7 9.7 20.2 34
A 267 H CB 66.2 10.1 20.6 33 A 267 H CG 66.3 11.2 21.5 34 A 267 H
CD2 66.4 11.2 22.9 32 A 267 H ND1 66.2 12.6 21.2 33 A 267 H CE1
66.3 13.3 22.3 32 A 267 H NE2 66.4 12.5 23.3 33 A 267 H C 64.0 10.9
19.6 33 A 267 H O 64.1 11.1 18.4 33 A 268 K N 63.3 11.6 20.4 34 A
268 K CA 62.5 12.8 20.0 34 A 268 K CB 61.0 12.5 19.9 33 A 268 K CG
60.5 11.6 18.8 34 A 268 K CD 59.1 11.9 18.5 36 A 268 K CE 58.5 11.0
17.5 36 A 268 K NZ 57.9 9.8 18.1 40 A 268 K C 62.8 13.9 21.0 34 A
268 K O 62.9 13.6 22.2 34 A 269 N N 62.8 15.2 20.6 36 A 269 N CA
63.1 16.3 21.5 35 A 269 N CB 64.1 17.3 20.9 39 A 269 N CG 65.1 17.7
22.0 46 A 269 N OD1 64.8 18.2 23.1 45 A 269 N ND2 66.4 17.5 21.6 47
A 269 N C 61.7 17.0 21.9 32 A 269 N O 60.8 16.9 21.1 30 A 270 K N
61.7 17.6 23.0 32 A 270 K CA 60.5 18.3 23.5 32 A 270 K CB 60.7 18.5
25.0 34 A 270 K CG 59.4 19.3 25.7 37 A 270 K CD 59.7 19.7 27.1 35 A
270 K CE 58.5 20.4 27.7 37 A 270 K NZ 57.3 19.5 27.7 39 A 270 K C
60.2 19.6 22.8 33 A 270 K O 61.0 20.5 22.8 33 A 271 V N 59.0 19.7
22.2 32 A 271 V CA 58.6 20.9 21.6 33 A 271 V CB 57.5 20.6 20.5 33 A
271 V CG1 57.0 21.9 19.8 32 A 271 V CG2 58.1 19.6 19.5 34 A 271 V C
58.0 21.8 22.7 32 A 271 V O 57.1 21.5 23.3 34 A 272 P N 58.7 23.0
22.9 31 A 272 P CD 59.8 23.6 22.1 31 A 272 P CA 58.2 23.9 23.9 31 A
272 P CB 59.1 25.1 23.8 29 A 272 P CG 59.6 25.0 22.4 32 A 272 P C
56.7 24.3 23.8 29 A 272 P O 56.2 24.5 22.7 29 A 273 W N 56.1 24.5
24.9 29 A 273 W CA 54.7 24.9 24.9 29 A 273 W CB 54.1 24.8 26.4 25 A
273 W CG 54.2 23.5 27.1 24 A 273 W CD2 53.5 22.3 26.6 18 A 273 W
CE2 53.8 21.3 27.5 18 A 273 W CE3 52.5 22.0 25.6 17 A 273 W CD1
54.9 23.1 28.1 20 A 273 W NE1 54.7 21.8 28.4 19 A 273 W CZ2 53.3
20.0 27.4 18 A 273 W CZ3 52.0 20.7 25.5 17 A 273 W CH2 52.4 19.7
26.4 17 A 273 W C 54.5 26.2 24.3 30 A 273 W O 53.6 26.4 23.5 32 A
274 N N 55.3 27.2 24.7 31 A 274 N CA 55.2 28.5 24.1 35 A 274 N CB
56.0 29.6 24.9 36 A 274 N CG 57.5 29.4 24.8 40 A 274 N OD1 58.0
28.9 23.8 41 A 274 N ND2 58.2 29.9 25.8 40 A 274 N C 55.5 28.6 22.6
36 A 274 N O 55.5 29.7 22.1 36 A 275 R N 55.7 27.5 22.0 37 A 275 R
CA 56.0 27.4 20.6 37 A 275 R CB 57.1 26.5 20.2 42 A 275 R CG 57.3
26.3 18.7 45 A 275 R CD 58.5 25.5 18.4 47 A 275 R NE 59.7 26.3 18.2
52 A 275 R CZ 60.9 25.8 17.7 55 A 275 R NH1 61.0 24.5 17.4 57 A 275
R NH2 61.9 26.7 17.5 54 A 275 R C 54.7 26.9 19.9 36 A 275 R O 54.4
27.4 18.8 35 A 276 L N 54.0 26.0 20.5 34 A 276 L CA 52.7 25.4 20.0
31 A 276 L CB 52.4 24.1 20.6 32 A 276 L CG 53.4 22.9 20.5 33 A 276
L CD1 53.1 21.9 21.6 33 A 276 L CD2 53.3 22.3 19.2 32 A 276 L C
51.6 26.4 20.2 31 A 276 L O 50.6 26.5 19.4 32 A 277 F N 51.7 27.1
21.3 29 A 277 F CA 50.6 28.1 21.7 30 A 277 F CB 49.9 27.6 22.9 28 A
277 F CG 49.5 26.1 22.8 26 A 277 F CD1 48.4 25.8 22.0 26 A 277 F
CD2 50.1 25.1 23.6 23 A 277 F CE1 48.1 24.4 21.9 25 A 277 F CE2
49.7 23.8 23.5 23 A 277 F CZ 48.7 23.4 22.6 24 A 277 F C 51.2 29.4
22.0 31 A 277 F O 51.4 29.8 23.2 30 A 278 P N 51.6 30.2 21.0 33 A
278 P CD 51.6 29.9 19.5 33 A 278 P CA 52.2 31.5 21.2 35 A 278 P CB
52.7 31.9 19.8 35 A 278 P CG 52.8 30.6 19.0 34 A 278 P C 51.2 32.5
21.7 36 A 278 P O 51.6 33.5 22.2 36 A 279 N N 50.0 32.1 21.6 39 A
279 N CA 48.8 32.9 22.0 39 A 279 N CB 47.6 32.5 21.2 39 A 279 N CG
47.3 31.0 21.3 40 A 279 N OD1 48.1 30.1 20.9 29 A 279 N ND2 46.2
30.6 22.0 37 A 279 N C 48.5 32.8 23.5 39 A 279 N O 48.1 33.7 24.2
39 A 280 A N 48.5 31.5 24.0 37 A 280 A CA 48.2 31.1 25.3 32 A 280 A
CB 48.5 29.7 25.5 29 A 280 A C 48.7 32.0 26.5 32 A 280 A O 49.9
32.4 26.4 33 A 281 D N 47.9 32.1 27.5 32 A 281 D CA 48.3 32.8 28.7
31 A 281 D CB 47.0 32.8 29.6 34 A 281 D CG 47.3 33.5 31.0 36 A 281
D OD1 48.1 32.9 31.8 35 A 281 D OD2 46.8 34.6 31.2 41 A 281 D C
49.4 32.0 29.4 31 A 281 D O 49.4 30.8 29.4 29 A 282 S N 50.4 32.7
29.9 29 A 282 S CA 51.6 32.0 30.5 30 A 282 S CB 52.5 33.1 31.1 31 A
282 S OG 53.0 34.0 30.1 40 A 282 S C 51.2 31.0 31.6 28 A 282 S O
51.7 29.9 31.6 27 A 283 K N 50.3 31.4 32.5 26 A 283 K CA 49.9 30.5
33.6 25 A 283 K CB 49.0 31.3 34.5 26 A 283 K CG 49.7 32.5 35.2 31 A
283 K CD 48.7 33.4 36.0 33 A
283 K CE 49.5 34.4 36.7 36 A 283 K NZ 48.5 35.3 37.5 38 A 283 K C
49.1 29.3 33.0 24 A 283 K O 49.2 28.2 33.6 21 A 284 A N 48.4 29.5
32.0 21 A 284 A CA 47.6 28.4 31.4 23 A 284 A CB 46.7 29.0 30.3 21 A
284 A C 48.6 27.4 30.8 24 A 284 A O 48.3 26.2 30.8 25 A 285 L N
49.7 27.8 30.3 23 A 285 L CA 50.7 26.9 29.7 23 A 285 L CB 51.6 27.6
28.7 20 A 285 L CG 51.1 28.0 27.4 25 A 285 L CD1 52.2 28.5 26.4 26
A 285 L CD2 50.3 26.9 26.8 23 A 285 L C 51.4 26.3 30.8 20 A 285 L O
51.9 25.1 30.7 22 A 286 D N 51.6 27.0 31.9 19 A 286 D CA 52.3 26.4
33.1 20 A 286 D CB 52.6 27.4 34.1 19 A 286 D CG 53.6 26.9 35.2 25 A
286 D OD1 54.7 26.6 34.8 29 A 286 D OD2 53.2 26.7 36.4 27 A 286 D C
51.5 25.2 33.6 21 A 286 D O 52.0 24.1 33.9 23 A 287 L N 50.2 25.5
33.8 19 A 287 L CA 49.3 24.5 34.3 20 A 287 L CB 47.9 25.1 34.6 20 A
287 L CG 46.8 24.1 35.1 21 A 287 L CD1 47.3 23.3 36.2 19 A 287 L
CD2 45.6 24.9 35.4 19 A 287 L C 49.2 23.3 33.3 20 A 287 L O 49.2
22.1 33.7 23 A 288 L N 49.1 23.7 32.0 20 A 288 L CA 49.0 22.6 30.9
20 A 288 L CB 49.0 23.3 29.6 19 A 288 L CG 49.0 22.3 28.4 17 A 288
L CD1 47.7 21.6 28.2 17 A 288 L CD2 49.3 23.1 27.1 16 A 288 L C
50.2 21.7 31.0 22 A 288 L O 50.0 20.5 30.9 24 A 289 D N 51.4 22.2
31.2 21 A 289 D CA 52.6 21.4 31.3 20 A 289 D CB 53.8 22.3 31.6 20 A
289 D CG 55.1 21.5 31.8 20 A 289 D OD1 55.5 20.7 31.0 22 A 289 D
OD2 55.7 21.7 32.9 26 A 289 D C 52.5 20.4 32.5 21 A 289 D O 52.9
19.2 32.3 21 A 290 K N 52.0 20.8 33.6 23 A 290 K CA 51.8 20.0 34.8
23 A 290 K CB 51.5 20.8 36.0 25 A 290 K CG 52.7 21.7 36.5 27 A 290
K CD 52.4 22.6 37.6 28 A 290 K CE 53.6 23.5 38.0 29 A 290 K NZ 54.2
24.2 36.9 32 A 290 K C 50.8 18.9 34.6 22 A 290 K O 50.9 17.8 35.2
23 A 291 M N 49.7 19.2 33.8 21 A 291 M CA 48.7 18.2 33.6 20 A 291 M
CB 47.4 18.9 33.1 20 A 291 M CG 46.9 20.0 34.0 24 A 291 M SD 45.3
20.5 33.5 26 A 291 M CE 44.4 19.8 34.8 27 A 291 M C 49.1 17.2 32.5
19 A 291 M O 48.8 16.0 32.6 17 A 292 L N 49.9 17.6 31.6 17 A 292 L
CA 50.4 16.7 30.5 17 A 292 L CB 50.4 17.4 29.2 12 A 292 L CG 49.0
17.7 28.6 14 A 292 L CD1 49.0 18.3 27.2 11 A 292 L CD2 48.1 16.5
28.6 12 A 292 L C 51.8 16.2 30.8 16 A 292 L O 52.7 16.2 30.0 20 A
293 T N 52.1 15.8 32.1 16 A 293 T CA 53.4 15.3 32.5 19 A 293 T CB
53.6 15.6 34.0 19 A 293 T OG1 53.8 17.0 34.2 19 A 293 T CG2 54.9
14.8 34.5 15 A 293 T C 53.4 13.8 32.2 21 A 293 T O 52.4 13.1 32.6
20 A 294 F N 54.4 13.3 31.6 19 A 294 F CA 54.5 11.8 31.3 20 A 294 F
CB 55.9 11.6 30.7 19 A 294 F CG 56.0 10.2 30.0 20 A 294 F CD1 55.5
10.1 28.7 21 A 294 F CD2 56.5 9.1 30.6 18 A 294 F CE1 55.6 8.8 28.0
22 A 294 F CE2 56.6 7.9 30.0 21 A 294 F CZ 56.1 7.7 28.7 19 A 294 F
C 54.3 10.9 32.5 23 A 294 F O 53.4 10.1 32.5 24 A 295 N N 55.2 11.1
33.5 23 A 295 N CA 55.2 10.3 34.7 23 A 295 N CB 56.5 10.5 35.5 24 A
295 N CG 56.7 9.5 36.6 26 A 295 N OD1 55.7 9.2 37.3 26 A 295 N ND2
57.9 9.1 36.9 24 A 295 N C 54.0 10.6 35.5 25 A 295 N O 53.9 11.7
36.1 25 A 296 P N 53.0 9.7 35.6 25 A 296 P CD 53.0 8.4 35.0 23 A
296 P CA 51.8 10.0 36.3 24 A 296 P CB 51.0 8.7 36.2 23 A 296 P CG
52.0 7.7 35.9 25 A 296 P C 52.0 10.3 37.8 27 A 296 P O 51.2 11.0
38.5 28 A 297 H N 53.2 9.9 38.3 30 A 297 H CA 53.5 10.1 39.7 34 A
297 H CB 54.7 9.2 40.1 39 A 297 H CG 54.4 7.8 40.0 45 A 297 H CD2
53.3 7.1 40.2 46 A 297 H ND1 55.4 6.8 39.8 47 A 297 H CE1 54.8 5.6
39.7 50 A 297 H NE2 53.6 5.8 40.0 48 A 297 H C 53.9 11.6 39.9 32 A
297 H O 53.7 12.2 41.0 32 A 298 K N 54.5 12.2 38.9 32 A 298 K CA
54.9 13.6 38.9 30 A 298 K CB 56.1 13.8 38.0 32 A 298 K CG 57.4 13.1
38.5 38 A 298 K CD 57.9 13.8 39.8 45 A 298 K CE 59.1 13.1 40.3 48 A
298 K NZ 59.5 13.7 41.6 51 A 298 K C 53.7 14.5 38.4 28 A 298 K O
53.8 15.7 38.5 29 A 299 R N 52.7 13.8 37.9 25 A 299 R CA 51.6 14.6
37.3 23 A 299 R CB 50.7 13.7 36.5 21 A 299 R CG 49.7 14.5 35.6 23 A
299 R CD 49.5 13.8 34.3 20 A 299 R NE 48.8 12.6 34.3 20 A 299 R CZ
49.2 11.5 33.8 21 A 299 R NH1 50.4 11.3 33.3 16 A 299 R NH2 48.4
10.4 33.9 22 A 299 R C 50.8 15.3 38.5 21 A 299 R O 50.5 14.6 39.5
19 A 300 I N 50.4 16.5 38.2 20 A 300 I CA 49.7 17.3 39.2 18 A 300 I
CB 49.5 18.8 38.7 19 A 300 I CG2 48.4 18.8 37.6 20 A 300 I CG1 49.2
19.7 39.8 22 A 300 I CD1 49.0 21.2 39.4 22 A 300 I C 48.3 16.7 39.5
16 A 300 I O 47.6 16.2 38.5 18 A 301 E N 47.9 16.7 40.7 15 A 301 E
CA 46.6 16.2 41.1 15 A 301 E CB 46.7 15.5 42.5 18 A 301 E CG 47.7
14.4 42.5 23 A 301 E CD 47.8 13.8 43.9 30 A 301 E OE1 48.2 14.5
44.9 28 A 301 E OE2 47.6 12.5 44.0 32 A 301 E C 45.5 17.3 41.0 15 A
301 E O 45.8 18.4 40.9 12 A 302 V N 44.2 16.9 41.2 14 A 302 V CA
43.1 17.8 41.1 13 A 302 V CB 41.8 17.1 41.0 13 A 302 V CG1 41.4
16.5 42.4 11 A 302 V CG2 40.7 18.0 40.5 12 A 302 V C 43.1 19.0 42.0
14 A 302 V O 42.7 20.1 41.6 15 A 303 E N 43.4 18.8 43.3 16 A 303 E
CA 43.4 19.9 44.3 18 A 303 E CB 43.7 19.4 45.7 22 A 303 E CG 43.3
18.0 46.0 34 A 303 E CD 44.2 16.9 45.4 35 A 303 E OE1 45.4 16.9
45.7 36 A 303 E OE2 43.6 16.0 44.7 34 A 303 E C 44.4 21.0 43.9 20 A
303 E O 44.2 22.2 43.9 21 A 304 Q N 45.6 20.5 43.6 19 A 304 Q CA
46.8 21.3 43.2 19 A 304 Q CB 48.0 20.4 43.1 21 A 304 Q CG 48.3 19.7
44.4 26 A 304 Q CD 49.1 18.4 44.3 37 A 304 Q OE1 49.2 17.7 45.3 41
A 304 Q NE2 49.5 18.1 43.1 34 A 304 Q C 46.5 22.0 41.9 19 A 304 Q O
47.0 23.2 41.7 19 A 305 A N 45.8 21.4 40.9 17 A 305 A CA 45.6 22.0
39.6 18 A 305 A CB 45.0 21.0 38.6 12 A 305 A C 44.6 23.1 39.9 18 A
305 A O 44.7 24.2 39.4 21 A 306 L N 43.6 22.9 40.7 17 A 306 L CA
42.6 23.9 41.0 18 A 306 L CB 41.5 23.4 42.0 18 A 306 L CG 40.3 22.7
41.3 18 A 306 L CD1 39.5 21.8 42.2 18 A 306 L CD2 39.3 23.7 40.7 15
A 306 L C 43.3 25.0 41.7 15 A 306 L O 43.0 26.2 41.5 14 A 307 A N
44.3 24.7 42.5 16 A 307 A CA 45.1 25.7 43.3 17 A 307 A CB 45.8 25.0
44.5 9 A 307 A C 46.2 26.4 42.5 17 A 307 A O 46.9 27.3 43.0 18 A
308 H N 46.3 26.1 41.2 19 A 308 H CA 47.2 26.8 40.3 21 A 308 H CB
47.3 26.0 39.0 20 A 308 H CG 48.4 26.4 38.1 23 A 308 H CD2 49.7
26.0 38.0 21 A 308 H ND1 48.3 27.5 37.3 25 A 308 H CE1 49.5 27.7
36.6 23 A 308 H NE2 50.3 26.8 37.1 24 A 308 H C 46.9 28.2 40.1 22 A
308 H O 45.8 28.6 40.0 22 A 309 P N 48.0 29.1 39.9 24 A 309 P CD
49.4 28.8 40.1 23 A 309 P CA 47.8 30.5 39.7 25 A 309 P CB 49.2 31.0
39.4 23 A 309 P CG 50.0 30.1 40.3 23 A 309 P C 46.8 30.8 38.6 24 A
309 P O 46.2 31.9 38.6 24 A 310 Y N 46.7 29.9 37.6 24 A 310 Y CA
45.8 30.2 36.5 25 A 310 Y CB 46.1 29.2 35.4 22 A 310 Y CG 45.2 29.4
34.1 22 A 310 Y CD1 45.2 30.6 33.5 20 A 310 Y CE1 44.4 30.8 32.4 20
A 310 Y CD2 44.4 28.4 33.7 21 A 310 Y CE2 43.5 28.6 32.5 25 A 310 Y
CZ 43.6 29.8 31.9 25 A 310 Y OH 42.8 30.1 30.8 25 A 310 Y C 44.3
30.2 36.8 23 A 310 Y O 43.5 30.8 36.1 25 A 311 L N 44.0 29.6 38.0
22 A 311 L CA 42.5 29.5 38.4 21 A 311 L CB 42.1 28.1 38.6 18 A 311
L CG 42.2 27.2 37.4 19 A 311 L CD1 42.1 25.7 37.8 16 A 311 L CD2
41.2 27.6 36.3 20 A 311 L C 42.3 30.3 39.7 21 A 311 L O 41.3 30.1
40.3 17 A 312 E N 43.2 31.2 40.0 23 A 312 E CA 43.1 32.0 41.2 27 A
312 E CB 44.3 32.9 41.4 31 A 312 E CG 44.4 34.0 40.4 41 A 312 E CD
45.8 34.7 40.4 46 A 312 E OE1 46.3 35.1 41.5 49 A 312 E OE2 46.4
34.8 39.3 46 A 312 E C 41.8 32.8 41.4 25 A 312 E O 41.4 33.1 42.5
26 A 313 Q N 41.2 33.3 40.3 26 A 313 Q CA 40.0 34.1 40.4 28 A 313 Q
CB 39.8 34.9 39.2 29 A 313 Q CG 39.3 34.1 38.0 36 A 313 Q CD 39.2
35.0 36.7 43 A 313 Q OE1 38.3 35.8 36.6 43 A 313 Q NE2 40.1 34.7
35.7 39 A 313 Q C 38.8 33.2 40.8 26 A
313 Q O 37.8 33.8 41.1 25 A 314 Y N 38.9 31.9 40.6 25 A 314 Y CA
37.8 31.0 40.9 24 A 314 Y CB 37.5 30.1 39.7 24 A 314 Y CG 37.0 30.9
38.5 23 A 314 Y CD1 35.7 31.6 38.6 22 A 314 Y CE1 35.2 32.3 37.6 21
A 314 Y CD2 37.7 31.1 37.3 20 A 314 Y CE2 37.2 31.9 36.3 22 A 314 Y
CZ 36.0 32.5 36.4 22 A 314 Y OH 35.5 33.2 35.4 27 A 314 Y C 38.0
30.0 42.1 24 A 314 Y O 37.1 29.7 42.8 26 A 315 Y N 39.3 29.5 42.3
22 A 315 Y CA 39.6 28.6 43.3 19 A 315 Y CB 41.1 28.3 43.4 18 A 315
Y CG 41.5 27.3 44.4 19 A 315 Y CD1 40.8 26.1 44.5 18 A 315 Y CE1
41.2 25.1 45.5 17 A 315 Y CD2 42.6 27.5 45.2 19 A 315 Y CE2 43.0
26.5 46.2 17 A 315 Y CZ 42.3 25.3 46.3 20 A 315 Y OH 42.7 24.4 47.2
19 A 315 Y C 39.1 29.0 44.7 18 A 315 Y O 39.5 30.0 45.2 17 A 316 D
N 38.3 28.1 45.3 18 A 316 D CA 37.7 28.4 46.6 18 A 316 D CB 36.7
29.5 46.5 18 A 316 D CG 35.8 29.6 47.7 20 A 316 D OD1 36.3 29.4
48.8 24 A 316 D OD2 34.6 29.9 47.5 19 A 316 D C 37.1 27.1 47.2 18 A
316 D O 35.9 26.8 46.9 17 A 317 P N 37.8 26.4 48.0 18 A 317 P CD
39.3 26.5 48.1 18 A 317 P CA 37.3 25.2 48.7 18 A 317 P CB 38.4 24.8
49.6 17 A 317 P CG 39.5 25.8 49.4 20 A 317 P C 36.0 25.3 49.4 19 A
317 P O 35.3 24.3 49.7 21 A 318 S N 35.5 26.5 49.8 17 A 318 S CA
34.3 26.7 50.5 15 A 318 S CB 34.2 28.0 51.3 15 A 318 S OG 34.2 29.1
50.4 12 A 318 S C 33.1 26.6 49.5 16 A 318 S O 31.9 26.7 49.9 16 A
319 D N 33.3 26.4 48.2 14 A 319 D CA 32.3 26.4 47.2 15 A 319 D CB
32.2 27.7 46.4 17 A 319 D CG 31.0 27.7 45.5 19 A 319 D OD1 29.9
27.1 45.9 19 A 319 D OD2 31.0 28.4 44.5 20 A 319 D C 32.7 25.2 46.2
16 A 319 D O 32.4 25.3 45.0 18 A 320 E N 33.4 24.2 46.8 15 A 320 E
CA 33.9 23.1 46.0 18 A 320 E CB 35.4 23.2 45.8 15 A 320 E CG 35.8
24.1 44.5 17 A 320 E CD 37.2 24.6 44.6 18 A 320 E OE1 38.1 23.9
45.3 16 A 320 E OE2 37.5 25.6 44.0 22 A 320 E C 33.5 21.8 46.7 17 A
320 E O 34.4 21.2 47.3 17 A 321 P N 32.3 21.4 46.7 19 A 321 P CD
31.1 22.1 46.0 17 A 321 P CA 31.8 20.2 47.4 20 A 321 P CB 30.4 20.1
47.1 18 A 321 P CG 30.2 20.9 45.8 20 A 321 P C 32.6 19.0 47.1 21 A
321 P O 33.0 18.7 45.9 20 A 322 I N 32.8 18.2 48.1 21 A 322 I CA
33.5 16.9 47.9 24 A 322 I CB 34.8 16.7 48.8 26 A 322 I CG2 35.9
17.6 48.3 22 A 322 I CG1 34.5 17.2 50.3 26 A 322 I CD1 33.6 16.2
51.0 31 A 322 I C 32.4 15.8 48.3 25 A 322 I O 31.4 16.2 48.8 25 A
323 A N 32.7 14.5 48.0 25 A 323 A CA 31.8 13.5 48.3 26 A 323 A CB
32.2 12.2 47.5 19 A 323 A C 31.7 13.2 49.8 28 A 323 A O 32.7 13.1
50.5 30 A 324 E N 30.5 13.0 50.3 32 A 324 E CA 30.4 12.7 51.7 37 A
324 E CB 29.1 13.2 52.3 42 A 324 E CG 27.8 12.8 51.7 46 A 324 E CD
26.6 13.6 52.2 50 A 324 E OE1 26.4 13.5 53.4 49 A 324 E OE2 25.9
14.3 51.4 52 A 324 E C 30.5 11.2 52.1 36 A 324 E O 31.1 10.8 53.1
34 A 325 A N 30.0 10.4 51.2 35 A 325 A CA 30.1 8.9 51.3 35 A 325 A
CB 28.7 8.3 51.5 34 A 325 A C 30.9 8.3 50.1 33 A 325 A O 30.2 7.8
49.2 30 A 326 P N 32.2 8.5 50.1 32 A 326 P CD 33.0 9.2 51.1 33 A
326 P CA 33.1 7.9 49.0 33 A 326 P CB 34.5 8.3 49.6 33 A 326 P CG
34.3 9.5 50.3 33 A 326 P C 32.8 6.4 48.8 35 A 326 P O 32.8 5.7 49.8
34 A 327 F N 32.7 6.0 47.6 33 A 327 F CA 32.5 4.6 47.2 33 A 327 F
CB 32.4 4.4 45.7 34 A 327 F CG 31.1 4.9 45.2 36 A 327 F CD1 30.0
4.2 45.4 36 A 327 F CD2 31.1 6.0 44.4 36 A 327 F CE1 28.7 4.6 44.9
37 A 327 F CE2 29.9 6.5 43.9 36 A 327 F CZ 28.7 5.8 44.1 38 A 327 F
C 33.7 3.8 47.8 32 A 327 F O 34.8 4.2 47.9 30 A 328 K N 33.3 2.6
48.2 34 A 328 K CA 34.3 1.6 48.8 38 A 328 K CB 33.9 1.3 50.2 40 A
328 K CG 34.2 2.4 51.2 42 A 328 K CD 35.7 2.7 51.3 43 A 328 K CE
36.1 3.9 52.1 46 A 328 K NZ 37.6 4.1 52.0 45 A 328 K C 34.5 0.4
48.0 38 A 328 K O 33.6 -0.0 47.2 34 A 329 F N 35.6 -0.3 48.2 42 A
329 F CA 36.0 -1.5 47.5 45 A 329 F CB 37.2 -2.2 48.2 44 A 329 F CG
37.7 -3.4 47.5 47 A 329 F CD1 38.5 -3.3 46.4 48 A 329 F CD2 37.4
-4.7 48.0 49 A 329 F CE1 39.0 -4.4 45.8 50 A 329 F CE2 37.9 -5.8
47.4 50 A 329 F CZ 38.7 -5.7 46.3 51 A 329 F C 34.9 -2.5 47.4 47 A
329 F O 34.7 -3.1 46.3 47 A 330 D N 34.1 -2.8 48.4 49 A 330 D CA
33.1 -3.7 48.5 51 A 330 D CB 32.4 -3.7 49.8 55 A 330 D CG 32.3 -2.3
50.4 59 A 330 D OD1 31.7 -1.4 49.8 61 A 330 D OD2 32.8 -2.1 51.5 58
A 330 D C 32.0 -3.6 47.3 50 A 330 D O 31.3 -4.6 47.1 52 A 331 M N
31.9 -2.5 46.7 48 A 331 M CA 31.0 -2.4 45.6 46 A 331 M CB 30.1 -1.1
45.8 47 A 331 M CG 30.9 0.2 45.7 49 A 331 M SD 31.3 0.6 44.0 51 A
331 M CE 29.8 1.4 43.4 51 A 331 M C 31.6 -2.4 44.2 45 A 331 M O
31.0 -2.1 43.2 45 A 332 E N 32.9 -2.7 44.2 44 A 332 E CA 33.7 -2.8
42.9 43 A 332 E CB 35.2 -2.5 43.2 41 A 332 E CG 35.5 -1.1 43.4 39 A
332 E CD 37.0 -1.0 43.7 39 A 332 E OE1 37.8 -1.5 43.0 36 A 332 E
OE2 37.3 -0.3 44.7 35 A 332 E C 33.5 -4.2 42.3 45 A 332 E O 33.7
-4.3 41.1 44 A 333 L N 33.2 -5.1 43.1 47 A 333 L CA 33.0 -6.5 42.7
48 A 333 L CB 33.1 -7.4 43.9 50 A 333 L CG 34.4 -7.5 44.7 53 A 333
L CD1 34.8 -6.2 45.1 53 A 333 L CD2 34.2 -8.5 45.9 53 A 333 L C
31.7 -6.8 41.9 46 A 333 L O 30.8 -7.4 42.4 46 A 334 D N 31.7 -6.3
40.7 43 A 334 D CA 30.5 -6.5 39.8 42 A 334 D CB 30.1 -5.1 39.2 42 A
334 D CG 31.2 -4.3 38.5 41 A 334 D OD1 32.1 -5.0 37.9 39 A 334 D
OD2 31.1 -3.1 38.5 40 A 334 D C 30.9 -7.4 38.6 42 A 334 D O 30.1
-7.4 37.6 39 A 335 D N 31.9 -8.2 38.8 42 A 335 D CA 32.3 -9.1 37.7
44 A 335 D CB 33.8 -9.5 37.9 45 A 335 D CG 34.3 -10.4 36.7 46 A 335
D OD1 33.8 -10.2 35.6 46 A 335 D OD2 35.1 -11.3 37.0 45 A 335 D C
31.4 -10.3 37.9 45 A 335 D O 31.9 -11.4 38.2 44 A 336 L N 30.1
-10.1 37.7 45 A 336 L CA 29.1 -11.2 37.9 47 A 336 L CB 28.1 -10.7
39.0 48 A 336 L CG 28.6 -10.1 40.2 48 A 336 L CD1 27.5 -9.4 41.0 48
A 336 L CD2 29.4 -11.1 41.1 48 A 336 L C 28.3 -11.4 36.6 48 A 336 L
O 28.4 -10.6 35.6 47 A 337 P N 27.6 -12.6 36.5 49 A 337 P CD 27.4
-13.6 37.6 49 A 337 P CA 26.8 -12.9 35.3 49 A 337 P CB 26.0 -14.2
35.8 48 A 337 P CG 26.9 -14.8 36.8 49 A 337 P C 25.9 -11.8 34.9 49
A 337 P O 25.5 -11.0 35.8 48 A 338 K N 25.6 -11.7 33.6 50 A 338 K
CA 24.7 -10.6 33.2 52 A 338 K CB 24.7 -10.5 31.7 52 A 338 K CG 24.2
-11.7 30.9 53 A 338 K CD 24.5 -11.7 29.4 53 A 338 K CE 23.7 -12.6
28.6 54 A 338 K NZ 23.7 -14.0 29.1 54 A 338 K C 23.3 -10.8 33.7 54
A 338 K O 22.4 -10.0 33.4 54 A 339 E N 23.1 -11.9 34.4 53 A 339 E
CA 21.8 -12.2 35.0 53 A 339 E CB 21.6 -13.8 35.2 53 A 339 E CG 21.4
-14.5 33.9 54 A 339 E CD 22.5 -14.4 32.9 56 A 339 E OE1 23.7 -14.7
33.3 56 A 339 E OE2 22.2 -14.1 31.7 57 A 339 E C 21.7 -11.6 36.3 52
A 339 E O 20.6 -11.0 36.7 51 A 340 K N 22.7 -11.7 37.1 51 A 340 K
CA 22.8 -11.1 38.5 51 A 340 K CB 24.1 -11.5 39.2 53 A 340 K CG 23.8
-12.3 40.4 56 A 340 K CD 23.2 -11.4 41.5 59 A 340 K CE 22.6 -12.3
42.6 62 A 340 K NZ 21.5 -13.1 42.1 61 A 340 K C 22.8 -9.6 38.3 51 A
340 K O 22.1 -8.8 39.0 51 A 341 L N 23.6 -9.1 37.3 50 A 341 L CA
23.7 -7.7 37.0 49 A 341 L CB 24.7 -7.5 35.9 49 A 341 L CG 26.1 -7.8
36.4 48 A 341 L CD1 27.1 -7.7 35.2 48 A 341 L CD2 26.6 -6.8 37.5 47
A 341 L C 22.3 -7.1 36.6 49 A 341 L O 22.1 -5.9 36.8 49 A 342 K N
21.5 -7.9 35.9 50 A 342 K CA 20.2 -7.4 35.5 50 A 342 K CB 19.5 -8.3
34.5 51 A 342 K CG 18.1 -7.9 34.0 52 A 342 K CD 17.5 -8.7 32.9 51 A
342 K CE 16.2 -8.1 32.5 50 A 342 K NZ 15.6 -8.8 31.3 50 A 342 K C
19.3 -7.2 36.7 50 A 342 K O 18.5 -6.3 36.8 50 A 343 E N 19.4 -8.2
37.6 50 A 343 E CA 18.7 -8.1 38.9 51 A 343 E CB 19.0 -9.3 39.7 53 A
343 E CG 18.4 -10.7 39.1 57 A 343 E CD 19.0 -11.9 39.8 60 A 343 E
OE1 18.9 -12.0 41.1 62 A 343 E OE2 19.6 -12.7 39.1 61 A 343 E C
19.0 -6.8 39.6 50 A
343 E O 18.2 -6.1 40.0 50 A 344 L N 20.3 -6.6 39.8 47 A 344 L CA
20.9 -5.4 40.4 43 A 344 L CB 22.4 -5.5 40.4 40 A 344 L CG 23.1 -6.6
41.2 41 A 344 L CD1 24.6 -6.7 40.9 38 A 344 L CD2 22.9 -6.4 42.7 39
A 344 L C 20.4 -4.2 39.8 42 A 344 L O 20.0 -3.2 40.5 42 A 345 I N
20.3 -4.1 38.5 43 A 345 I CA 19.9 -2.9 37.7 42 A 345 I CB 20.1 -3.1
36.2 40 A 345 I CG2 19.3 -2.0 35.5 39 A 345 I CG1 21.5 -3.0 35.9 40
A 345 I CD1 21.8 -3.1 34.4 39 A 345 I C 18.4 -2.7 38.0 44 A 345 I O
17.9 -1.6 38.3 43 A 346 F N 17.6 -3.8 38.0 48 A 346 F CA 16.2 -3.8
38.3 49 A 346 F CB 15.6 -5.2 38.3 50 A 346 F CG 14.1 -5.2 38.5 52 A
346 F CD1 13.2 -4.9 37.5 52 A 346 F CD2 13.6 -5.5 39.8 52 A 346 F
CE1 11.9 -4.9 37.6 52 A 346 F CE2 12.2 -5.5 40.0 52 A 346 F CZ 11.3
-5.2 38.9 53 A 346 F C 16.0 -3.1 39.7 48 A 346 F O 15.1 -2.3 39.8
46 A 347 E N 16.8 -3.5 40.6 50 A 347 E CA 16.7 -3.0 42.0 53 A 347 E
CB 17.7 -3.8 42.8 55 A 347 E CG 17.6 -3.6 44.3 59 A 347 E CD 18.7
-4.5 45.0 62 A 347 E OE1 18.6 -5.7 44.9 63 A 347 E OE2 19.5 -3.9
45.7 64 A 347 E C 17.1 -1.5 42.1 54 A 347 E O 16.2 -0.7 42.5 54 A
348 E N 18.2 -1.2 41.6 53 A 348 E CA 18.7 0.2 41.6 51 A 348 E CB
20.1 0.3 40.9 49 A 348 E CG 21.3 -0.2 41.7 47 A 348 E CD 21.6 0.7
42.9 46 A 348 E OE1 21.8 1.9 42.7 43 A 348 E OE2 21.6 0.2 44.0 48 A
348 E C 17.7 1.2 40.9 52 A 348 E O 17.8 2.4 41.2 53 A 349 T N 16.9
0.7 40.0 51 A 349 T CA 15.9 1.6 39.4 51 A 349 T CB 15.8 1.2 37.9 50
A 349 T OG1 15.2 -0.1 37.7 47 A 349 T CG2 17.1 1.3 37.2 51 A 349 T
C 14.5 1.5 40.0 52 A 349 T O 13.6 2.2 39.6 52 A 350 A N 14.3 0.6
41.0 52 A 350 A CA 13.1 0.4 41.6 53 A 350 A CB 13.2 -0.6 42.7 53 A
350 A C 12.5 1.7 42.2 55 A 350 A O 11.4 2.1 42.0 54 A 351 R N 13.4
2.4 43.0 57 A 351 R CA 13.0 3.7 43.6 59 A 351 R CB 14.2 4.4 44.1 61
A 351 R CG 15.0 5.2 43.0 62 A 351 R CD 15.5 6.5 43.5 62 A 351 R NE
16.9 6.5 43.9 62 A 351 R CZ 17.5 7.5 44.5 62 A 351 R NH1 16.9 8.6
44.7 62 A 351 R NH2 18.8 7.4 44.8 61 A 351 R C 12.2 4.6 42.7 60 A
351 R O 11.3 5.4 43.1 61 A 352 F N 12.5 4.6 41.4 62 A 352 F CA 11.8
5.4 40.4 63 A 352 F CB 12.7 5.8 39.2 62 A 352 F CG 13.9 6.6 39.6 62
A 352 F CD1 13.7 8.0 39.8 61 A 352 F CD2 15.2 6.1 39.8 60 A 352 F
CE1 14.8 8.8 40.2 60 A 352 F CE2 16.2 6.9 40.2 60 A 352 F CZ 16.1
8.3 40.3 59 A 352 F C 10.5 4.9 39.9 64 A 352 F O 9.8 5.6 39.1 63 A
353 Q N 10.2 3.7 40.3 66 A 353 Q CA 8.9 3.0 39.8 70 A 353 Q CB 8.8
1.6 40.3 69 A 353 Q CG 9.6 0.6 39.4 68 A 353 Q CD 8.9 0.5 38.1 69 A
353 Q OE1 9.0 1.4 37.3 69 A 353 Q NE2 8.3 -0.7 37.7 69 A 353 Q C
7.7 3.8 40.4 72 A 353 Q O 7.7 4.3 41.5 73 A 354 P N 6.6 3.9 39.5 75
A 354 P CD 6.5 3.3 38.2 75 A 354 P CA 5.4 4.6 39.9 77 A 354 P CB
4.4 4.2 38.8 77 A 354 P CG 5.3 4.1 37.6 77 A 354 P C 4.9 4.2 41.3
80 A 354 P O 4.8 3.1 41.7 80 A 355 G N 4.6 5.3 42.1 84 A 355 G CA
4.1 5.1 43.5 89 A 355 G C 5.0 4.3 44.4 92 A 355 G O 4.5 3.7 45.4 92
A 356 Y N 6.3 4.2 44.1 95 A
Example 15
Ah.sub.6-ERK2 [Di-Phosphorylated]Structure Determination
[0100] The crystal structure was solved using molecular replacement
using the search models 2ERK from the PDB. Refinement was done
using the program CNX.
TABLE-US-00010 Theoretical number of reflections 113961 Resolution
Limits 30.0-1.97 .ANG. Number of unobserved reflections 19851
(17.4%) Number of reflections in working set 89428 (78.5%) Number
of reflections in test set 4682 (4.1%) Number of protein residues
1388 Number of solvent atoms 718 R-factor 0.249 R-free 0.298 RMSD
bond length 0.014 .ANG. RMSD bond angles 1.49.degree.
Example 16
Preparation of Ah.sub.6-ERK2 [Di-Thiophosphorylated]
[0101] Di-thiophosphorylated ERK2 was prepared by incubation of 16
mg of 5 .mu.M ERK2 with 200 nM MEK1P (active MEK1) and 50 .mu.M
ATP.gamma.S for 208 minutes, at 25.degree. C. in 50 mM sodium Hepes
Buffer, pH 7.5, 2.5 mM MgCl.sub.2, 3 mM DTT, 4 mM Tris HCl, 2%
(w/v) glycerol, 0.2 mM EDTA, and 0.05 M NaCl. The reaction was
quenched with 25 mM EDTA. The product was dialyzed at 4.degree. C.
versus MonoQ buffer (25 mM Tris-Cl, pH 7.8 (rt), 0.05 M NaCl, 1 mM
EDTA, 10% (v/v) glycerol, and 5 mM DTT) and applied to a MonoQ HR
10/10 column (Amersham/Pharmacia) at 4.degree. C. The column was
washed with 1 bed volume of MonoQ buffer and eluted with a linear
30 bed volume gradient between MonoQ Buffer and MonoQ Buffer with
0.5 M NaCl. The yield was 10 mg of di-thiophosphorylated ERK2.
[0102] Pure di-thiophosphorylated ERK2 was prepared for
crystallography by extensive dialysis versus 20 mM Tris-Cl, pH 7.5
(rt), 0.2 M NaCl, 0.03% sodium azide and 5 mM DTT at 4.degree. C.,
centrifugation at 200,000.times.g for 40 minutes, and concentration
to 11 mg/ml of protein on a YM10 membrane (Millipore).
Example 17
Crystallization of Ah.sub.6-ERK2 [Di-Thiophosphorylated]
[0103] The Ah.sub.6-ERK2 [di-thiophosphorylated] was crystallized
using a hanging-drop vapor diffusion method. The protein (0.5
.mu.l; 10 mg/ml) in 20 mM Tris-HCl, pH 7.5, 0.20 M sodium chloride,
0.03% sodium azide, 5 mM DTT buffer was mixed with an equal volume
of precipitant solution containing 10 mM sodium citrate, pH 5.8,
20% iso-propanol placed on the underside of a siliconized glass
coverslip and sealed in close proximity to 1 ml of the precipitant
solution. Crystallization plates were incubated at 4.degree.;
crystals grew over 4-30 days.
Example 18
Photomicrograph of Ah.sub.6-ERK2 [Di-Thiophosphorylated]
Crystals
[0104] A photomicrograph of Ah.sub.6-ERK2 [di-thiophosphorylated
crystals was taken (magnification about 200.times.). Rectangular
rod crystals (0.02.times.0.2 mm) were observed.
Example 19
Crystallographic Analysis of Ah.sub.6-ERK2
[Di-Thiophosphorylated]
[0105] Prior to data collection, crystals were washed with the
reservoir solution of the crystallization setup and transferred
into the same solution with 20% glycerol added. The crystals were
then flash-cooled in a nitrogen stream at 95 K. X-ray diffraction
was collected using a Rigaku generator equipped with a Raxis 4++
detector. Data were integrated and scaled using the HKL
package.
Data Collection Statistics:
TABLE-US-00011 [0106] Resolution 30.0-2.35 .ANG. No. of collected
reflections 82289 No. of unique reflections (F >= 0) 21197 R-sym
11.3% Percent of theoretical (l/s >= 1) 99.7% Unit Cell a =
92.892 .ANG., b = 92.892 .ANG., c = 99.829 .ANG., .alpha. = .beta.
= 90.degree. .gamma. = 120.degree. Space Group P3.sub.221 (number
154) Asymmetric unit 1 molecule
TABLE-US-00012 TABLE 3 Structural Coordinates of Ah.sub.6-ERK2
[di-thiophosphorylated] Crystals The following table contains one
line for each atom in one Thiophosphorylated Erk2 kinase tetramer.
The columns are: 1) residue number, 2) l-letter amino acid code, 3)
atom name, 4) x-coordinate, 5) y-coordinate, 6) z-coordinate, 7)
B-factor, 8) Chain ID. Residues A183 and A185 (Amino Acid Code X
and Z) are Thiophosphorylated. The coordinates are arranged in two
side-by-side columns. 6 A CB 2.1 5.2 18.2 90 A 6 A C 0.2 5.6 19.8
90 A 6 A O 0.6 5.6 21.0 90 A 6 A N 1.7 7.4 19.2 90 A 6 A CA 1.1 6.2
18.7 90 A 7 A N -0.9 5.0 19.4 89 A 7 A CA -1.8 4.3 20.3 88 A 7 A CB
-2.5 3.2 19.6 88 A 7 A C -1.1 3.9 21.6 86 A 7 A O -1.4 4.3 22.7 87
A 8 G N -0.2 3.0 21.4 84 A 8 G CA 0.6 2.4 22.5 81 A 8 G C 1.9 3.3
22.7 78 A 8 G O 1.8 4.4 23.1 78 A 9 P N 3.0 2.7 22.5 76 A 9 P CD
3.3 1.3 22.1 75 A 9 P CA 4.3 3.4 22.6 73 A 9 P CB 5.3 2.2 22.7 74 A
9 P CG 4.7 1.2 21.7 75 A 9 P C 4.6 4.3 21.5 71 A 9 P O 4.2 4.2 20.4
71 A 10 E N 5.4 5.4 21.8 69 A 10 E CA 5.7 6.4 20.8 66 A 10 E CB 6.2
7.7 21.5 67 A 10 E CG 5.2 8.2 22.5 67 A 10 E CD 5.7 9.5 23.2 67 A
10 E OE1 5.9 10.5 22.5 65 A 10 E OE2 5.8 9.5 24.4 66 A 10 E C 6.9
5.8 20.0 65 A 10 E O 7.7 5.0 20.5 64 A 11 M N 7.0 6.3 18.8 64 A 11
M CA 8.0 5.8 17.9 62 A 11 M CB 7.4 5.1 16.7 61 A 11 M CG 6.4 4.0
17.0 59 A 11 M SD 7.1 2.6 17.9 58 A 11 M CE 8.1 1.8 16.6 59 A 11 M
C 9.0 6.8 17.4 61 A 11 M O 8.6 8.0 17.1 61 A 12 V N 10.3 6.5 17.3
61 A 12 V CA 11.3 7.4 16.8 60 A 12 V CB 12.1 8.0 17.9 60 A 12 V CG1
13.4 8.7 17.4 59 A 12 V CG2 11.3 8.9 18.7 59 A 12 V C 12.2 6.5 15.9
60 A 12 V O 12.8 5.6 16.4 61 A 13 R N 12.2 6.8 14.6 59 A 13 R CA
13.0 6.1 13.7 59 A 13 R CB 14.5 6.3 13.9 59 A 13 R CG 15.0 7.8 13.6
58 A 13 R CD 16.5 7.9 13.7 58 A 13 R NE 17.0 8.9 12.8 57 A 13 R CZ
18.3 8.9 12.4 59 A 13 R NH1 19.1 7.9 12.8 58 A 13 R NH2 18.7 9.8
11.5 58 A 13 R C 12.8 4.6 13.8 59 A 13 R O 13.7 3.8 14.0 59 A 14 G
N 11.5 4.2 13.6 58 A 14 G CA 11.1 2.8 13.6 58 A 14 G C 11.4 2.1
14.9 58 A 14 G O 11.2 0.8 15.0 59 A 15 Q N 11.9 2.8 15.9 57 A 15 Q
CA 12.2 2.1 17.2 55 A 15 Q CB 13.6 2.5 17.7 56 A 15 Q CG 14.7 1.9
17.0 58 A 15 Q CD 15.9 1.6 17.9 60 A 15 Q OE1 17.0 1.3 17.5 62 A 15
Q NE2 15.7 1.7 19.2 59 A 15 Q C 11.2 2.5 18.3 54 A 15 Q O 10.4 3.5
18.2 52 A 16 V N 11.1 1.6 19.3 52 A 16 V CA 10.2 1.9 20.4 52 A 16 V
CB 9.7 0.6 21.1 52 A 16 V CG1 8.9 0.9 22.3 51 A 16 V CG2 8.9 -0.2
20.1 55 A 16 V C 10.9 2.7 21.5 51 A 16 V O 11.9 2.4 22.0 49 A 17 F
N 10.3 3.9 21.7 51 A 17 F CA 10.8 4.8 22.7 50 A 17 F CB 11.1 6.2
22.1 49 A 17 F CG 12.4 6.8 22.6 48 A 17 F CD1 13.6 6.3 22.3 47 A 17
F CD2 12.4 7.8 23.5 48 A 17 F CE1 14.8 6.8 22.8 45 A 17 F CE2 13.5
8.4 24.1 48 A 17 F CZ 14.8 7.9 23.7 47 A 17 F C 9.6 5.0 23.7 50 A
17 F O 9.0 6.0 23.8 50 A 18 D N 9.3 3.8 24.4 50 A 18 D CA 8.2 3.7
25.3 50 A 18 D CB 7.9 2.3 25.5 49 A 18 D CG 6.6 2.1 26.3 52 A 18 D
OD1 5.7 2.9 26.1 52 A 18 D OD2 6.5 1.1 27.0 53 A 18 D C 8.4 4.4
26.7 49 A 18 D O 8.6 3.7 27.7 49 A 19 V N 8.3 5.7 26.7 49 A 19 V CA
8.5 6.5 27.9 50 A 19 V CB 9.5 7.7 27.7 48 A 19 V CG1 10.9 7.2 27.5
46 A 19 V CG2 9.0 8.5 26.6 47 A 19 V C 7.2 7.0 28.5 51 A 19 V O 7.0
8.2 28.7 51 A 20 G N 6.3 6.0 28.8 51 A 20 G CA 5.0 6.4 29.3 50 A 20
G C 4.3 7.6 28.7 49 A 20 G O 4.6 8.0 27.6 48 A 21 P N 3.4 8.2 29.5
49 A 21 P CD 2.7 7.6 30.6 49 A 21 P CA 2.7 9.4 29.0 49 A 21 P CB
1.3 9.3 29.7 47 A 21 P CG 1.7 8.7 31.0 47 A 21 P C 3.4 10.7 29.4 48
A 21 P O 3.2 11.7 28.7 48 A 22 R N 4.1 10.7 30.5 48 A 22 R CA 4.8
11.9 31.0 48 A 22 R CB 5.6 11.5 32.2 48 A 22 R CG 6.4 12.7 32.9 48
A 22 R CD 7.1 12.3 34.1 47 A 22 R NE 8.0 13.3 34.6 47 A 22 R CZ 8.8
13.2 35.7 48 A 22 R NH1 8.9 12.0 36.3 46 A 22 R NH2 9.5 14.2 36.1
47 A 22 R C 5.8 12.5 30.0 49 A 22 R O 5.8 13.8 29.9 50 A 23 Y N 6.5
11.7 29.2 47 A 23 Y CA 7.4 12.3 28.2 46 A 23 Y CB 8.7 11.5 28.3 43
A 23 Y CG 9.3 11.6 29.7 39 A 23 Y CD1 9.9 12.8 30.2 39 A 23 Y CE1
10.4 12.9 31.5 38 A 23 Y CD2 9.2 10.6 30.6 40 A 23 Y CE2 9.8 10.6
31.9 37 A 23 Y CZ 10.3 11.8 32.3 38 A 23 Y OH 10.9 11.9 33.6 37 A
23 Y C 6.8 12.1 26.8 46 A 23 Y O 6.4 11.1 26.4 47 A 24 T N 6.8 13.2
26.1 48 A 24 T CA 6.2 13.2 24.7 51 A 24 T CB 4.8 13.7 24.7 51 A 24
T OG1 4.8 15.2 24.9 52 A 24 T CG2 4.0 13.1 25.8 49 A 24 T C 7.0
14.1 23.8 52 A 24 T O 8.2 14.4 24.0 55 A 25 N N 6.4 14.4 22.6 53 A
25 N CA 7.0 15.2 21.6 54 A 25 N CB 6.9 16.7 22.0 55 A 25 N CG 5.5
17.0 22.3 57 A 25 N OD1 4.6 16.9 21.5 56 A 25 N ND2 5.3 17.5 23.6
56 A 25 N C 8.5 14.9 21.4 56 A 25 N O 9.3 15.8 21.1 56 A 26 L N 8.8
13.6 21.5 57 A 26 L CA 10.2 13.1 21.3 57 A 26 L CB 10.2 11.6 21.1
56 A 26 L CG 10.2 10.7 22.4 57 A 26 L CD1 9.2 11.3 23.4 57 A 26 L
CD2 9.8 9.3 22.0 57 A 26 L C 10.9 13.8 20.1 57 A 26 L O 10.2 14.2
19.2 58 A 27 S N 12.2 13.8 20.1 58 A 27 S CA 13.0 14.4 19.0 58 A 27
S CB 13.0 15.9 19.2 58 A 27 S OG 13.7 16.5 18.0 57 A 27 S C 14.4
13.8 19.0 58 A 27 S O 15.2 14.2 19.8 59 A 28 Y N 14.6 12.9 18.1 57
A 28 Y CA 15.9 12.2 17.9 57 A 28 Y CB 16.0 11.4 16.7 56 A 28 Y CG
17.2 10.7 16.4 55 A 28 Y CD1 17.5 9.5 17.1 56 A 28 Y CE1 18.7 8.8
16.9 55 A 28 Y CD2 18.2 11.1 15.5 56 A 28 Y CE2 19.4 10.5 15.3 56 A
28 Y CZ 19.6 9.3 16.0 56 A 28 Y OH 20.8 8.6 15.7 56 A 28 Y C 17.1
13.2 17.9 56 A 28 Y O 17.0 14.3 17.3 56 A 29 I N 18.2 12.8 18.6 55
A 29 I CA 19.4 13.7 18.6 54 A 29 I CB 19.6 14.4 19.9 55 A 29 I CG2
18.5 15.5 20.0 56 A 29 I CG1 19.5 13.5 21.1 55 A 29 I CD1 19.4 14.2
22.5 54 A 29 I C 20.7 12.9 18.3 53 A 29 I O 21.7 13.4 17.8 52 A 30
G N 20.6 11.6 18.5 52 A 30 G CA 21.8 10.7 18.2 51 A 30 G C 21.8 9.4
18.8 51 A 30 G O 21.0 9.0 19.7 50 A 31 E N 22.8 8.5 18.4 52 A 31 E
CA 22.9 7.2 18.9 53 A 31 E CB 23.5 6.3 17.8 53 A 31 E CG 22.6 6.0
16.6 54 A 31 E CD 21.3 5.3 17.1 55 A 31 E OE1 21.4 4.3 17.7 55 A 31
E OE2 20.2 5.8 16.7 55 A 31 E C 23.9 7.2 20.1 54 A 31 E O 24.9 7.9
20.1 53 A 32 G N 23.6 6.3 21.1 54 A 32 G CA 24.4 6.2 22.3 54 A 32 G
C 25.0 4.8 22.3 54 A 32 G O 24.7 4.0 21.4 55 A 33 A N 25.9 4.6 23.3
54 A 33 A CA 26.6 3.3 23.4 53 A 33 A CB 27.3 3.2 24.7 53 A 33 A C
25.7 2.1 23.2 53 A 33 A O 25.9 1.3 22.3 53 A 34 Y N 24.6 2.1 23.9
52 A 34 Y CA 23.7 0.9 23.8 52 A 34 Y CB 23.7 0.1 25.1 52 A 34 Y CG
25.0 0.0 25.8 53 A 34 Y CD1 26.1 -0.6 25.1 53 A 34 Y CE1 27.4 -0.7
25.6 54 A 34 Y CD2 25.3 0.5 27.0 52 A 34 Y CE2 26.5 0.4 27.6 53 A
34 Y CZ 27.6 -0.1 26.9 54 A 34 Y OH 28.9 -0.2 27.5 53 A 34 Y C 22.2
1.3 23.5 51 A 34 Y O 21.3 0.6 23.9 50 A 35 G N 22.0 2.3 22.7 49 A
35 G CA 20.7 2.8 22.3 49 A 35 G C 20.7 4.2 21.8 48 A 35 G O 21.7
4.9 21.8 50 A 36 M N 19.5 4.7 21.3 46 A 36 M CA 19.4 6.0 20.9 45 A
36 M CB 18.5 6.1 19.7 46 A 36 M CG 17.0 5.8 20.0 46 A 36 M SD 15.9
6.6 18.8 49 A 36 M CE 16.1 5.5 17.3 48 A 36 M C 19.0 7.0 21.9 44 A
36 M O 18.4 6.7 23.0 41 A 37 V N 19.4 8.3 21.7 44 A 37 V CA 19.1
9.4 22.6 45 A 37 V CB 20.5 10.1 23.1 45 A 37 V CG1 20.2 11.1 24.1
43 A 37 V CG2 21.4 9.0 23.6 44 A 37 V C 18.2 10.4 22.0 45 A
37 V O 18.4 10.8 20.9 43 A 38 C N 17.1 10.7 22.7 46 A 38 C CA 16.2
11.7 22.2 47 A 38 C CB 14.8 11.0 21.9 47 A 38 C SG 14.9 9.8 20.6 49
A 38 C C 15.9 12.8 23.3 47 A 38 C O 16.3 12.7 24.4 48 A 39 S N 15.2
13.9 22.8 48 A 39 S CA 14.9 14.9 23.8 49 A 39 S CB 15.4 16.3 23.2
48 A 39 S OG 14.9 16.6 22.0 47 A 39 S C 13.4 15.0 23.8 50 A 39 S O
12.7 15.2 22.8 51 A 40 A N 12.8 14.6 25.0 51 A 40 A CA 11.4 14.6
25.2 51 A 40 A CB 11.0 13.5 26.1 50 A 40 A C 11.0 15.9 25.8 54 A 40
A O 11.7 16.9 25.9 52 A 41 Y N 9.7 16.0 26.3 57 A 41 Y CA 9.1 17.1
26.9 60 A 41 Y CB 8.2 17.9 26.0 63 A 41 Y CG 7.4 19.0 26.7 66 A 41
Y CD1 8.0 20.2 26.9 67 A 41 Y CE1 7.4 21.2 27.6 68 A 41 Y CD2 6.1
18.8 27.2 67 A 41 Y CE2 5.5 19.8 27.9 69 A 41 Y CZ 6.1 21.0 28.1 69
A 41 Y OH 5.4 22.0 28.8 70 A 41 Y C 8.4 16.6 28.2 60 A 41 Y O 7.3
16.1 28.1 61 A 42 D N 9.0 16.8 29.3 60 A 42 D CA 8.4 16.4 30.5 60 A
42 D CB 9.3 16.6 31.8 59 A 42 D CG 8.9 15.8 33.0 59 A 42 D OD1 7.7
15.4 33.1 59 A 42 D OD2 9.8 15.5 33.8 58 A 42 D C 7.1 17.2 30.7 61
A 42 D O 7.1 18.4 30.6 62 A 43 N N 6.0 16.5 30.8 60 A 43 N CA 4.7
17.2 30.9 60 A 43 N CB 3.6 16.3 30.4 60 A 43 N CG 3.6 16.1 28.9 60
A 43 N OD1 3.5 17.0 28.2 60 A 43 N ND2 3.8 14.8 28.5 59 A 43 N C
4.5 17.5 32.4 60 A 43 N O 3.6 18.3 32.7 61 A 44 L N 5.3 17.0 33.3
60 A 44 L CA 5.2 17.3 34.7 59 A 44 L CB 5.8 16.1 35.5 57 A 44 L CG
6.0 16.3 37.0 57 A 44 L CD1 4.9 17.2 37.6 57 A 44 L CD2 6.2 15.0
37.7 55 A 44 L C 6.0 18.5 35.0 59 A 44 L O 5.5 19.5 35.6 60 A 45 N
N 7.3 18.5 34.7 58 A 45 N CA 8.2 19.7 35.0 56 A 45 N CB 9.6 19.3
35.3 55 A 45 N CG 9.6 18.3 36.5 53 A 45 N OD1 8.9 18.4 37.5 53 A 45
N ND2 10.5 17.3 36.4 53 A 45 N C 8.2 20.6 33.8 56 A 45 N O 9.1 21.4
33.6 57 A 46 K N 7.2 20.5 32.9 56 A 46 K CA 7.1 21.3 31.7 57 A 46 K
CB 6.2 22.5 31.9 58 A 46 K CG 4.8 22.2 32.4 60 A 46 K CD 4.7 21.8
33.8 60 A 46 K CE 3.3 21.7 34.3 60 A 46 K NZ 2.4 20.8 33.5 60 A 46
K C 8.4 21.7 31.0 57 A 46 K O 8.5 22.7 30.3 56 A 47 V N 9.5 20.9
31.1 55 A 47 V CA 10.7 21.2 30.5 54 A 47 V CB 11.8 21.5 31.6 54 A
47 V CG1 11.6 22.8 32.2 55 A 47 V CG2 11.9 20.3 32.6 54 A 47 V C
11.2 20.1 29.6 53 A 47 V O 11.0 18.9 29.9 53 A 48 R N 11.8 20.4
28.5 52 A 48 R CA 12.3 19.4 27.6 52 A 48 R CB 12.6 20.0 26.2 53 A
48 R CG 11.4 20.3 25.4 52 A 48 R CD 11.7 20.7 24.0 53 A 48 R NE
12.2 19.6 23.1 53 A 48 R CZ 11.6 18.5 22.8 54 A 48 R NH1 10.3 18.4
23.3 53 A 48 R NH2 12.1 17.6 22.1 53 A 48 R C 13.6 18.8 28.2 52 A
48 R O 14.5 19.6 28.4 53 A 49 V N 13.6 17.6 28.5 51 A 49 V CA 14.7
16.9 29.1 48 A 49 V CB 14.3 15.9 30.2 48 A 49 V CG1 13.7 16.7 31.4
48 A 49 V CG2 13.2 14.9 29.7 48 A 49 V C 15.4 16.1 28.0 47 A 49 V O
15.2 16.3 26.8 46 A 50 A N 16.3 15.2 28.4 45 A 50 A CA 17.1 14.4
27.5 42 A 50 A CB 18.5 14.8 27.5 42 A 50 A C 16.9 13.0 28.0 39 A 50
A O 16.9 12.7 29.2 38 A 51 I N 16.7 12.0 27.1 38 A 51 I CA 16.5
10.6 27.5 37 A 51 I CB 15.0 10.2 27.4 37 A 51 I CG2 14.8 8.8 27.9
34 A 51 I CG1 14.2 11.2 28.2 35 A 51 I CD1 12.7 10.9 28.1 38 A 51 I
C 17.3 9.7 26.6 37 A 51 I O 17.4 9.9 25.4 37 A 52 K N 18.0 8.7 27.2
37 A 52 K CA 18.7 7.7 26.4 37 A 52 K CB 20.2 7.9 26.6 39 A 52 K CG
20.7 7.6 28.0 41 A 52 K CD 22.0 8.4 28.2 45 A 52 K CE 22.8 8.0 29.4
49 A 52 K NZ 23.7 6.8 29.1 50 A 52 K C 18.2 6.3 26.6 35 A 52 K O
18.0 5.9 27.8 32 A 53 K N 17.9 5.6 25.6 35 A 53 K CA 17.4 4.3 25.6
36 A 53 K CB 16.6 3.9 24.4 36 A 53 K CG 15.8 2.6 24.5 37 A 53 K CD
15.1 2.3 23.2 36 A 53 K CE 14.7 0.9 23.1 36 A 53 K NZ 14.2 0.6 21.7
35 A 53 K C 18.6 3.3 25.7 36 A 53 K O 19.5 3.4 24.9 35 A 54 I N
18.6 2.5 26.7 37 A 54 I CA 19.8 1.6 26.9 37 A 54 I CB 20.5 2.0 28.2
36 A 54 I CG2 21.8 1.1 28.4 34 A 54 I CG1 20.9 3.4 28.1 36 A 54 I
CD1 21.6 4.0 29.4 38 A 54 I C 19.3 0.1 27.0 37 A 54 I O 18.5 -0.2
27.9 39 A 55 S N 19.8 -0.7 26.1 40 A 55 S CA 19.4 -2.1 26.0 43 A 55
S CB 18.8 -2.4 24.7 43 A 55 S OG 17.9 -1.3 24.3 41 A 55 S C 20.7
-2.9 26.1 44 A 55 S O 21.3 -3.3 25.1 46 A 56 P N 21.2 -3.1 27.4 45
A 56 P CD 20.8 -2.4 28.6 45 A 56 P CA 22.5 -3.8 27.6 45 A 56 P CB
23.1 -3.0 28.7 46 A 56 P CG 22.0 -2.7 29.6 45 A 56 P C 22.4 -5.3
28.1 47 A 56 P O 23.4 -6.0 27.9 48 A 57 F N 21.3 -5.7 28.6 48 A 57
F CA 21.1 -7.0 29.1 49 A 57 F CB 19.6 -7.2 29.4 49 A 57 F CG 19.1
-6.1 30.3 50 A 57 F CD1 19.6 -5.8 31.6 51 A 57 F CD2 18.1 -5.2 29.8
51 A 57 F CE1 19.1 -4.8 32.3 51 A 57 F CE2 17.7 -4.1 30.5 51 A 57 F
CZ 18.2 -3.9 31.8 50 A 57 F C 21.6 -8.2 28.3 49 A 57 F O 21.6 -9.3
28.8 50 A 58 E N 22.1 -8.0 27.1 50 A 58 E CA 22.6 -9.1 26.3 51 A 58
E CB 22.5 -8.7 24.8 53 A 58 E CG 21.1 -8.4 24.3 56 A 58 E CD 20.2
-9.6 24.3 58 A 58 E OE1 20.4 -10.5 23.5 59 A 58 E OE2 19.2 -9.6
25.1 58 A 58 E C 24.1 -9.5 26.6 51 A 58 E O 24.4 -10.6 26.6 51 A 59
H N 24.9 -8.5 27.0 50 A 59 H CA 26.3 -8.7 27.3 49 A 59 H CB 27.2
-8.0 26.4 51 A 59 H CG 26.9 -8.2 24.9 54 A 59 H CD2 27.6 -8.8 24.0
54 A 59 H ND1 25.7 -7.8 24.3 54 A 59 H CE1 25.7 -8.1 23.1 55 A 59 H
NE2 26.9 -8.8 22.8 56 A 59 H C 26.6 -8.3 28.8 48 A 59 H O 26.0 -7.4
29.3 48 A 60 Q N 27.5 -9.0 29.4 47 A 60 Q CA 27.9 -8.7 30.8 46 A 60
Q CB 28.9 -9.8 31.3 45 A 60 Q CG 29.6 -9.3 32.6 46 A 60 Q CD 30.9
-10.0 32.8 46 A 60 Q OE1 31.8 -10.0 32.0 48 A 60 Q NE2 31.1 -10.6
34.0 46 A 60 Q C 28.6 -7.3 30.9 46 A 60 Q O 28.3 -6.6 31.8 48 A 61
T N 29.5 -7.0 30.0 46 A 61 T CA 30.2 -5.8 30.1 47 A 61 T CB 31.4
-5.7 29.1 45 A 61 T OG1 31.0 -5.9 27.8 50 A 61 T CG2 32.4 -6.9 29.5
44 A 61 T C 29.3 -4.6 29.8 47 A 61 T O 29.5 -3.5 30.3 48 A 62 Y N
28.2 -4.8 29.0 46 A 62 Y CA 27.3 -3.8 28.8 46 A 62 Y CB 26.3 -4.3
27.7 49 A 62 Y CG 26.8 -4.1 26.3 51 A 62 Y CD1 28.2 -4.1 26.0 51 A
62 Y CE1 28.7 -4.0 24.7 52 A 62 Y CD2 26.0 -4.0 25.2 51 A 62 Y CE2
26.5 -3.9 23.9 51 A 62 Y CZ 27.8 -3.8 23.7 51 A 62 Y OH 28.3 -3.7
22.4 51 A 62 Y C 26.5 -3.6 30.1 45 A 62 Y O 26.2 -2.5 30.4 44 A 63
C N 26.2 -4.7 30.8 43 A 63 C CA 25.5 -4.6 32.1 41 A 63 C CB 25.1
-6.0 32.5 42 A 63 C SG 23.7 -6.7 31.6 41 A 63 C C 26.4 -4.0 33.2 40
A 63 C O 25.8 -3.1 33.9 39 A 64 Q N 27.6 -4.3 33.2 39 A 64 Q CA
28.6 -3.7 34.2 38 A 64 Q CB 30.0 -4.2 34.0 39 A 64 Q CG 30.3 -5.6
34.6 42 A 64 Q CD 31.8 -5.9 34.4 44 A 64 Q OE1 32.3 -5.9 33.2 45 A
64 Q NE2 32.5 -6.2 35.4 44 A 64 Q C 28.6 -2.2 34.2 37 A 64 Q O 28.4
-1.6 35.2 37 A 65 R N 28.7 -1.7 33.0 36 A 65 R CA 28.8 -0.3 32.7 37
A 65 R CB 29.3 0.0 31.3 36 A 65 R CG 30.7 -0.5 31.1 37 A 65 R CD
31.2 -0.4 29.7 38 A 65 R NE 32.6 -0.7 29.6 40 A 65 R CZ 33.3 -0.8
28.4 41 A 65 R NH1 32.7 -0.5 27.3 38 A 65 R NH2 34.6 -1.2 28.5 38 A
65 R C 27.5 0.5 33.0 37 A 65 R O 27.5 1.6 33.4 39 A 66 T N 26.4
-0.2 32.7 37 A 66 T CA 25.1 0.4 32.9 35 A 66 T CB 24.0 -0.5 32.3 35
A 66 T OG1 24.1 -0.5 30.9 35 A 66 T CG2 22.6 -0.0 32.7 33 A 66 T C
24.8 0.5 34.4 34 A 66 T O 24.3 1.6 34.9 35 A 67 L N 25.2 -0.5 35.2
32 A 67 L CA 25.0 -0.5 36.7 31 A 67 L CB 25.3 -1.9 37.2 30 A 67 L
CG 24.6 -2.5 38.5 31 A 67 L CD1 25.6 -2.5 39.6 29 A 67 L CD2 23.4
-1.7 38.9 28 A 67 L C 25.9 0.5 37.3 32 A 67 L O 25.5 1.3 38.2 30 A
68 R N 27.2 0.6 36.8 31 A 68 R CA 28.1 1.5 37.3 28 A 68 R CB 29.5
1.4 36.6 24 A 68 R CG 30.3 0.2 37.2 23 A
68 R CD 31.5 -0.2 36.3 20 A 68 R NE 32.3 -1.3 36.8 18 A 68 R CZ
33.3 -1.9 36.2 19 A 68 R NH1 33.7 -1.4 35.0 17 A 68 R NH2 33.9 -2.9
36.8 19 A 68 R C 27.7 3.0 37.1 26 A 68 R O 27.6 3.7 38.1 25 A 69 E
N 27.4 3.4 35.9 27 A 69 E CA 26.9 4.7 35.6 28 A 69 E CB 26.5 4.9
34.2 30 A 69 E CG 25.8 6.2 33.9 33 A 69 E CD 26.0 6.6 32.4 35 A 69
E OE1 25.6 5.8 31.5 36 A 69 E OE2 26.5 7.7 32.2 34 A 69 E C 25.8
5.1 36.5 29 A 69 E O 25.8 6.2 37.1 30 A 70 I N 24.8 4.2 36.7 26 A
70 I CA 23.6 4.4 37.5 25 A 70 I CB 22.6 3.3 37.3 25 A 70 I CG2 21.4
3.4 38.3 22 A 70 I CG1 22.1 3.2 35.9 22 A 70 I CD1 21.3 2.0 35.6 20
A 70 I C 23.9 4.6 39.0 25 A 70 I O 23.5 5.6 39.6 28 A 71 K N 24.6
3.6 39.6 25 A 71 K CA 24.9 3.7 41.0 28 A 71 K CB 25.7 2.5 41.5 30 A
71 K CG 24.9 1.2 41.4 33 A 71 K CD 25.6 -0.0 41.9 34 A 71 K CE 26.0
0.1 43.4 37 A 71 K NZ 26.6 -1.2 43.9 38 A 71 K C 25.7 5.0 41.3 29 A
71 K O 25.4 5.8 42.2 29 A 72 I N 26.7 5.2 40.5 27 A 72 I CA 27.5
6.4 40.6 26 A 72 I CB 28.7 6.4 39.6 26 A 72 I CG2 29.4 7.9 39.6 22
A 72 I CG1 29.7 5.4 40.0 22 A 72 I CD1 30.7 5.0 38.9 23 A 72 I C
26.7 7.7 40.5 25 A 72 I O 26.8 8.6 41.4 25 A 73 L N 26.1 7.9 39.3
24 A 73 L CA 25.3 9.1 39.0 26 A 73 L CB 24.8 9.1 37.6 25 A 73 L CG
25.4 10.1 36.7 25 A 73 L CD1 26.9 10.3 36.9 22 A 73 L CD2 25.1 9.8
35.2 22 A 73 L C 24.1 9.3 39.9 27 A 73 L O 23.6 10.4 40.1 29 A 74 L
N 23.6 8.2 40.5 27 A 74 L CA 22.4 8.3 41.4 29 A 74 L CB 21.8 6.9
41.6 27 A 74 L CG 20.3 6.7 41.3 30 A 74 L CD1 19.8 7.7 40.2 24 A 74
L CD2 20.1 5.3 40.8 30 A 74 L C 22.9 8.8 42.8 29 A 74 L O 22.2 9.6
43.4 29 A 75 R N 24.1 8.5 43.1 30 A 75 R CA 24.7 9.0 44.4 31 A 75 R
CB 25.8 8.0 44.9 34 A 75 R CG 26.3 8.4 46.3 38 A 75 R CD 27.3 7.5
46.9 40 A 75 R NE 26.7 6.2 47.2 42 A 75 R CZ 27.3 5.3 48.0 43 A 75
R NH1 28.4 5.5 48.6 44 A 75 R NH2 26.7 4.1 48.3 42 A 75 R C 25.3
10.4 44.3 30 A 75 R O 25.2 11.2 45.3 29 A 76 F N 25.9 10.7 43.2 27
A 76 F CA 26.6 12.0 43.0 26 A 76 F CB 27.3 12.0 41.7 23 A 76 F CG
28.7 11.4 41.8 22 A 76 F CD1 29.1 10.7 42.9 19 A 76 F CD2 29.5 11.4
40.7 21 A 76 F CE1 30.3 10.1 43.0 21 A 76 F CE2 30.8 10.8 40.8 22 A
76 F CZ 31.2 10.2 41.9 20 A 76 F C 25.6 13.2 43.0 26 A 76 F O 24.5
13.1 42.5 26 A 77 R N 26.0 14.3 43.6 28 A 77 R CA 25.2 15.5 43.7 29
A 77 R CB 24.6 15.6 45.1 34 A 77 R CG 25.6 15.7 46.2 42 A 77 R CD
25.4 14.7 47.4 48 A 77 R NE 26.6 14.0 47.7 53 A 77 R CZ 27.7 14.5
48.2 55 A 77 R NH1 27.8 15.8 48.5 57 A 77 R NH2 28.8 13.8 48.5 55 A
77 R C 26.1 16.8 43.5 26 A 77 R O 26.7 17.3 44.5 25 A 78 H N 26.3
17.2 42.3 24 A 78 H CA 27.2 18.3 42.0 22 A 78 H CB 28.7 17.8 41.8
19 A 78 H CG 29.7 18.8 41.7 21 A 78 H CD2 30.1 19.7 40.8 18 A 78 H
ND1 30.5 19.1 42.8 21 A 78 H CE1 31.4 20.0 42.5 20 A 78 H NE2 31.1
20.4 41.3 22 A 78 H C 26.8 19.1 40.8 22 A 78 H O 26.3 18.6 39.8 21
A 79 E N 27.0 20.4 40.9 21 A 79 E CA 26.6 21.4 39.8 21 A 79 E CB
26.9 22.8 40.2 23 A 79 E CG 26.1 23.3 41.4 27 A 79 E CD 26.5 24.7
41.8 30 A 79 E OE1 25.7 25.4 42.4 32 A 79 E OE2 27.6 25.2 41.4 32 A
79 E C 27.3 21.1 38.5 22 A 79 E O 26.7 21.4 37.4 21 A 80 N N 28.5
20.5 38.5 21 A 80 N CA 29.2 20.2 37.3 21 A 80 N CB 30.7 20.7 37.4
19 A 80 N CG 30.8 22.2 37.8 21 A 80 N OD1 31.3 22.5 38.9 22 A 80 N
ND2 30.2 23.1 37.0 15 A 80 N C 29.2 18.8 36.8 22 A 80 N O 30.0 18.3
36.0 22 A 81 I N 28.2 18.0 37.4 20 A 81 I CA 28.1 16.6 37.0 18 A 81
I CB 28.4 15.7 38.2 20 A 81 I CG2 28.2 14.2 37.8 15 A 81 I CG1 29.9
15.9 38.6 18 A 81 I CD1 30.4 15.0 39.7 18 A 81 I C 26.6 16.3 36.6
18 A 81 I O 25.7 16.5 37.5 15 A 82 I N 26.4 15.9 35.4 19 A 82 I CA
25.0 15.6 35.0 21 A 82 I CB 25.0 14.9 33.6 22 A 82 I CG2 25.5 13.5
33.6 20 A 82 I CG1 23.5 15.0 33.0 23 A 82 I CD1 22.9 16.4 33.0 23 A
82 I C 24.4 14.6 36.0 21 A 82 I O 25.1 13.7 36.6 22 A 83 G N 23.1
14.7 36.3 24 A 83 G CA 22.5 13.8 37.2 26 A 83 G C 21.3 13.0 36.5 29
A 83 G O 21.0 13.3 35.3 30 A 84 I N 20.8 12.0 37.1 31 A 84 I CA
19.6 11.3 36.6 31 A 84 I CB 19.8 9.8 36.8 32 A 84 I CG2 18.6 9.0
36.2 31 A 84 I CG1 21.1 9.3 36.2 29 A 84 I CD1 21.3 7.8 36.4 28 A
84 I C 18.4 11.8 37.2 32 A 84 I O 18.2 11.5 38.4 33 A 85 N N 17.5
12.4 36.5 34 A 85 N CA 16.2 12.9 37.1 36 A 85 N CB 15.7 14.1 36.3
35 A 85 N CG 16.8 15.0 35.8 37 A 85 N OD1 17.8 15.2 36.5 35 A 85 N
ND2 16.6 15.6 34.6 37 A 85 N C 15.1 11.8 37.2 38 A 85 N O 14.2 12.0
38.0 39 A 86 D N 15.2 10.7 36.4 38 A 86 D CA 14.2 9.7 36.4 38 A 86
D CB 12.9 10.3 35.9 35 A 86 D CG 11.7 9.3 36.0 35 A 86 D OD1 11.7
8.4 36.8 33 A 86 D OD2 10.8 9.5 35.1 36 A 86 D C 14.7 8.5 35.6 39 A
86 D O 15.5 8.6 34.7 41 A 87 I N 14.1 7.3 35.8 39 A 87 I CA 14.4
6.1 35.1 40 A 87 I CB 15.4 5.2 35.9 38 A 87 I CG2 15.6 3.9 35.1 37
A 87 I CG1 16.8 6.0 36.0 37 A 87 I CD1 17.8 5.2 36.7 36 A 87 I C
13.1 5.3 34.8 42 A 87 I O 12.5 4.8 35.8 41 A 88 I N 12.8 5.1 33.6
43 A 88 I CA 11.7 4.3 33.1 44 A 88 I CB 10.9 5.0 32.0 44 A 88 I CG2
9.9 4.1 31.4 44 A 88 I CG1 10.3 6.3 32.5 43 A 88 I CD1 9.6 7.2 31.4
43 A 88 I C 12.1 2.9 32.7 45 A 88 I O 12.8 2.8 31.7 44 A 89 R N
11.5 1.9 33.3 46 A 89 R CA 11.8 0.5 32.9 47 A 89 R CB 13.1 -0.0
33.6 48 A 89 R CG 13.2 0.1 35.1 47 A 89 R CD 12.2 -0.9 35.8 48 A 89
R NE 12.6 -1.1 37.2 51 A 89 R CZ 11.8 -1.7 38.1 51 A 89 R NH1 10.7
-2.2 37.7 52 A 89 R NH2 12.3 -1.8 39.4 49 A 89 R C 10.6 -0.4 33.3
49 A 89 R O 9.8 -0.1 34.2 49 A 90 A N 10.4 -1.5 32.6 50 A 90 A CA
9.3 -2.4 32.8 51 A 90 A CB 9.6 -3.7 32.0 51 A 90 A C 9.0 -2.8 34.3
52 A 90 A O 9.9 -2.9 35.1 52 A 91 P N 7.7 -2.9 34.6 52 A 91 P CD
6.6 -2.7 33.6 53 A 91 P CA 7.2 -3.2 35.9 52 A 91 P CB 5.7 -3.3 35.7
52 A 91 P CG 5.4 -2.4 34.6 52 A 91 P C 7.8 -4.5 36.4 52 A 91 P O
8.0 -4.7 37.6 51 A 92 T N 8.0 -5.5 35.5 52 A 92 T CA 8.5 -6.8 35.9
55 A 92 T CB 7.5 -7.9 35.6 55 A 92 T OG1 7.5 -8.1 34.1 56 A 92 T
CG2 6.1 -7.6 36.0 55 A 92 T C 9.8 -7.0 35.2 56 A 92 T O 9.9 -6.7
34.0 56 A 93 I N 10.8 -7.6 35.9 56 A 93 I CA 12.1 -7.9 35.3 57 A 93
I CB 12.9 -8.7 36.3 58 A 93 I CG2 12.3 -10.0 36.5 57 A 93 I CG1
14.4 -8.9 35.7 58 A 93 I CD1 15.4 -9.4 36.7 59 A 93 I C 12.1 -8.5
33.9 57 A 93 I O 12.8 -8.1 33.0 57 A 94 E N 11.3 -9.6 33.8 57 A 94
E CA 11.2 -10.3 32.5 56 A 94 E CB 10.1 -11.4 32.5 56 A 94 E CG 10.5
-12.6 33.3 56 A 94 E CD 10.6 -12.4 34.8 57 A 94 E OE1 9.7 -11.7
35.4 55 A 94 E OE2 11.5 -12.9 35.4 56 A 94 E C 10.8 -9.3 31.4 55 A
94 E O 11.3 -9.4 30.3 55 A 95 Q N 10.0 -8.3 31.7 56 A 95 Q CA 9.5
-7.4 30.7 56 A 95 Q CB 8.3 -6.7 31.1 58 A 95 Q CG 7.1 -7.6 31.4 60
A 95 Q CD 5.8 -6.8 31.8 60 A 95 Q OE1 5.2 -6.1 31.0 62 A 95 Q NE2
5.5 -6.9 33.1 60 A 95 Q C 10.6 -6.3 30.4 55 A 95 Q O 10.5 -5.5 29.5
57 A 96 M N 11.6 -6.2 31.3 53 A 96 M CA 12.7 -5.2 31.1 51 A 96 M CB
13.3 -4.9 32.5 50 A 96 M CG 14.4 -3.8 32.5 47 A 96 M SD 15.0 -3.5
34.1 44 A 96 M CE 16.0 -4.9 34.4 42 A 96 M C 13.7 -5.6 30.1 50 A 96
M O 14.6 -6.5 30.3 48 A 97 K N 13.7 -5.0 28.9 51 A 97 K CA 14.6
-5.2 27.9 52 A 97 K CB 13.9 -5.5 26.6 54 A 97 K CG 12.7 -6.5 26.7
56 A 97 K CD 13.3 -7.9 27.0 59 A 97 K CE 12.1 -8.9 27.1 60 A 97 K
NZ 12.7 -10.3 27.3 61 A 97 K C 15.4 -3.9 27.7 51 A 97 K O 16.5 -3.9
27.2 52 A 98 D N 14.8 -2.8 28.1 49 A
98 D CA 15.4 -1.5 27.9 48 A 98 D CB 14.7 -0.8 26.8 49 A 98 D CG
14.5 -1.6 25.6 50 A 98 D OD1 15.5 -2.1 25.0 51 A 98 D OD2 13.3 -1.9
25.2 51 A 98 D C 15.2 -0.6 29.2 47 A 98 D O 14.4 -0.9 30.0 49 A 99
V N 16.1 0.4 29.2 46 A 99 V CA 16.0 1.3 30.3 43 A 99 V CB 17.2 1.0
31.3 43 A 99 V CG1 17.1 2.0 32.5 42 A 99 V CG2 17.1 -0.4 31.8 42 A
99 V C 16.2 2.7 29.8 42 A 99 V O 17.1 3.0 28.9 42 A 100 Y N 15.3
3.6 30.2 39 A 100 Y CA 15.4 5.0 29.7 38 A 100 Y CB 14.1 5.4 29.1 38
A 100 Y CG 13.5 4.6 28.0 37 A 100 Y CD1 12.9 3.3 28.3 37 A 100 Y
CE1 12.4 2.5 27.3 37 A 100 Y CD2 13.6 4.9 26.7 37 A 100 Y CE2 13.2
4.2 25.6 38 A 100 Y CZ 12.6 2.9 25.9 38 A 100 Y OH 12.0 2.2 24.9 40
A 100 Y C 15.8 5.9 30.8 38 A 100 Y O 15.0 6.2 31.8 39 A 101 I N
17.0 6.5 30.7 36 A 101 I CA 17.5 7.4 31.7 34 A 101 I CB 19.0 7.2
32.0 34 A 101 I CG2 19.5 8.1 33.1 33 A 101 I CG1 19.2 5.7 32.4 35 A
101 I CD1 20.7 5.3 32.6 34 A 101 I C 17.2 8.8 31.3 34 A 101 I O
17.7 9.3 30.3 33 A 102 V N 16.5 9.5 32.1 34 A 102 V CA 16.2 10.9
31.9 35 A 102 V CB 14.7 11.3 32.4 37 A 102 V CG1 14.4 12.7 32.0 38
A 102 V CG2 13.7 10.4 31.8 37 A 102 V C 17.2 11.8 32.6 34 A 102 V O
17.5 11.6 33.7 35 A 103 Q N 17.7 12.8 31.8 32 A 103 Q CA 18.6 13.8
32.4 32 A 103 Q CB 20.1 13.3 32.0 30 A 103 Q CG 20.5 12.0 32.5 29 A
103 Q CD 21.9 11.6 32.1 29 A 103 Q OE1 22.2 11.5 30.9 29 A 103 Q
NE2 22.8 11.5 33.1 33 A 103 Q C 18.3 15.1 31.8 33 A 103 Q O 17.5
15.3 30.9 33 A 104 D N 18.9 16.2 32.4 33 A 104 D CA 18.7 17.5 31.9
33 A 104 D CB 19.4 18.6 32.8 34 A 104 D CG 18.8 18.7 34.2 36 A 104
D OD1 17.6 18.7 34.3 37 A 104 D OD2 19.6 18.8 35.1 36 A 104 D C
19.2 17.7 30.5 34 A 104 D O 20.3 17.1 30.1 34 A 105 L N 18.5 18.4
29.7 34 A 105 L CA 18.8 18.7 28.3 33 A 105 L CB 17.6 18.9 27.5 32 A
105 L CG 17.7 19.4 26.1 33 A 105 L CD1 18.5 18.3 25.3 32 A 105 L
CD2 16.4 19.7 25.4 33 A 105 L C 19.7 19.9 28.2 34 A 105 L O 19.2
21.0 28.4 35 A 106 M N 21.0 19.7 28.0 34 A 106 M CA 21.9 20.9 27.9
33 A 106 M CB 23.4 20.4 28.2 33 A 106 M CG 23.6 20.0 29.7 32 A 106
M SD 23.2 21.3 30.9 29 A 106 M CE 24.7 22.1 31.1 29 A 106 M C 21.9
21.4 26.4 34 A 106 M O 21.5 20.7 25.5 35 A 107 E N 22.3 22.7 26.3
36 A 107 E CA 22.2 23.4 25.0 35 A 107 E CB 22.5 24.8 25.3 39 A 107
E CG 21.9 25.8 24.3 46 A 107 E CD 21.1 26.9 25.0 50 A 107 E OE1
21.4 27.3 26.2 47 A 107 E OE2 20.0 27.3 24.5 53 A 107 E C 23.2 22.9
24.0 35 A 107 E O 22.9 22.8 22.8 35 A 108 T N 24.4 22.5 24.4 32 A
108 T CA 25.5 22.1 23.5 27 A 108 T CB 26.0 23.3 22.7 25 A 108 T OG1
26.8 22.9 21.6 25 A 108 T CG2 26.9 24.2 23.6 24 A 108 T C 26.6 21.4
24.3 27 A 108 T O 26.4 21.1 25.5 24 A 109 D N 27.7 21.2 23.7 24 A
109 D CA 28.9 20.6 24.4 25 A 109 D CB 28.9 19.0 24.1 25 A 109 D CG
29.2 18.6 22.7 25 A 109 D OD1 30.2 19.1 22.1 25 A 109 D OD2 28.4
17.8 22.1 21 A 109 D C 30.2 21.2 23.9 26 A 109 D O 30.1 22.0 22.9
28 A 110 L N 31.3 20.9 24.5 26 A 110 L CA 32.5 21.6 24.2 24 A 110 L
CB 33.6 21.2 25.2 22 A 110 L CG 34.9 22.0 25.1 19 A 110 L CD1 34.7
23.5 25.1 18 A 110 L CD2 35.9 21.6 26.2 19 A 110 L C 33.0 21.2 22.8
25 A 110 L O 33.6 22.0 22.1 28 A 111 Y N 32.8 19.9 22.4 23 A 111 Y
CA 33.2 19.4 21.1 24 A 111 Y CB 32.7 18.0 20.9 26 A 111 Y CG 32.9
17.4 19.5 31 A 111 Y CD1 34.2 17.0 19.1 31 A 111 Y CE1 34.4 16.5
17.8 33 A 111 Y CD2 31.9 17.4 18.6 34 A 111 Y CE2 32.1 16.9 17.3 35
A 111 Y CZ 33.3 16.4 16.9 37 A 111 Y OH 33.5 15.9 15.6 40 A 111 Y C
32.6 20.4 20.0 24 A 111 Y O 33.4 21.0 19.3 24 A 112 K N 31.3 20.5
20.0 23 A 112 K CA 30.7 21.3 19.0 26 A 112 K CB 29.1 21.2 19.1 28 A
112 K CG 28.6 19.8 18.6 31 A 112 K CD 27.1 19.8 18.6 35 A 112 K CE
26.5 19.5 19.9 36 A 112 K NZ 25.1 19.1 19.7 39 A 112 K C 31.1 22.8
19.1 27 A 112 K O 31.1 23.5 18.1 27 A 113 L N 31.3 23.3 20.3 28 A
113 L CA 31.7 24.7 20.5 29 A 113 L CB 31.7 25.0 22.0 28 A 113 L CG
31.4 26.4 22.5 32 A 113 L CD1 31.9 26.5 23.9 31 A 113 L CD2 32.2
27.4 21.6 34 A 113 L C 33.0 25.0 19.9 31 A 113 L O 33.1 26.0 19.1
30 A 114 L N 34.0 24.1 20.2 30 A 114 L CA 35.3 24.3 19.6 29 A 114 L
CB 36.3 23.3 20.3 28 A 114 L CG 36.7 23.6 21.7 24 A 114 L CD1 37.6
22.5 22.2 20 A 114 L CD2 37.4 25.0 21.8 22 A 114 L C 35.4 24.2 18.1
31 A 114 L O 36.3 24.7 17.5 32 A 115 K N 34.4 23.5 17.6 34 A 115 K
CA 34.3 23.2 16.2 36 A 115 K CB 33.5 22.0 15.9 36 A 115 K CG 33.5
21.4 14.6 42 A 115 K CD 32.8 20.0 14.5 46 A 115 K CE 31.3 20.2 14.9
48 A 115 K NZ 30.6 21.2 14.1 50 A 115 K C 33.8 24.4 15.4 38 A 115 K
O 33.8 24.5 14.2 37 A 116 T N 33.3 25.4 16.1 38 A 116 T CA 32.7
26.6 15.5 39 A 116 T CB 31.2 26.5 15.5 40 A 116 T OG1 30.7 26.4
16.8 41 A 116 T CG2 30.8 25.2 14.7 39 A 116 T C 33.0 27.9 16.2 40 A
116 T O 32.5 28.9 15.8 41 A 117 Q N 33.9 27.9 17.2 40 A 117 Q CA
34.2 29.2 17.9 41 A 117 Q CB 33.1 29.4 18.9 44 A 117 Q CG 33.4 30.5
20.0 50 A 117 Q CD 33.1 31.9 19.5 55 A 117 Q OE1 32.4 32.1 18.5 57
A 117 Q NE2 33.6 32.9 20.2 57 A 117 Q C 35.6 29.1 18.6 39 A 117 Q O
36.0 28.1 19.2 37 A 118 H N 36.3 30.3 18.5 39 A 118 H CA 37.6 30.4
19.1 38 A 118 H CB 38.5 31.3 18.3 39 A 118 H CG 39.9 31.5 18.9 43 A
118 H CD2 41.1 31.0 18.7 44 A 118 H ND1 40.0 32.4 20.0 45 A 118 H
CE1 41.3 32.3 20.4 44 A 118 H NE2 41.9 31.5 19.7 45 A 118 H C 37.3
31.1 20.5 37 A 118 H O 36.9 32.2 20.6 40 A 119 L N 37.6 30.4 21.6
33 A 119 L CA 37.4 30.8 22.9 31 A 119 L CB 37.4 29.7 23.9 26 A 119
L CG 36.4 28.5 23.6 23 A 119 L CD1 36.7 27.4 24.6 21 A 119 L CD2
35.0 29.0 23.7 22 A 119 L C 38.4 31.9 23.4 31 A 119 L O 39.6 31.8
23.1 31 A 120 S N 37.9 32.8 24.2 32 A 120 S CA 38.8 33.8 24.8 31 A
120 S CB 38.0 35.1 25.2 31 A 120 S OG 37.0 34.7 26.2 33 A 120 S C
39.4 33.2 26.1 31 A 120 S O 38.9 32.2 26.6 31 A 121 N N 40.4 33.9
26.6 29 A 121 N CA 41.1 33.3 27.8 30 A 121 N CB 42.2 34.3 28.1 30 A
121 N CG 43.1 33.7 29.3 30 A 121 N OD1 43.4 34.4 30.2 35 A 121 N
ND2 43.4 32.4 29.1 28 A 121 N C 40.1 33.2 28.9 30 A 121 N O 40.2
32.3 29.7 28 A 122 D N 39.2 34.1 29.0 29 A 122 D CA 38.2 34.1 30.1
31 A 122 D CB 37.3 35.4 30.2 34 A 122 D CG 38.1 36.6 30.4 37 A 122
D OD1 39.0 36.6 31.3 38 A 122 D OD2 37.9 37.6 29.7 42 A 122 D C
37.3 32.9 30.1 30 A 122 D O 37.1 32.3 31.2 29 A 123 H N 36.8 32.5
28.9 29 A 123 H CA 36.0 31.3 28.8 28 A 123 H CB 35.4 31.2 27.4 30 A
123 H CG 34.2 32.1 27.2 34 A 123 H CD2 32.9 31.8 27.0 35 A 123 H
ND1 34.3 33.5 27.2 38 A 123 H CE1 33.1 34.0 27.0 37 A 123 H NE2
32.2 33.0 26.9 37 A 123 H C 36.8 30.1 29.2 26 A 123 H O 36.4 29.3
30.0 28 A 124 I N 37.9 29.9 28.5 23 A 124 I CA 38.8 28.8 28.8 22 A
124 I CB 40.1 29.0 28.0 19 A 124 I CG2 41.1 27.9 28.5 21 A 124 I
CG1 39.9 28.9 26.5 18 A 124 I CD1 41.1 29.3 25.7 14 A 124 I C 39.0
28.6 30.3 21 A 124 I O 38.8 27.6 30.8 20 A 125 C N 39.5 29.7 30.9
20 A 125 C CA 39.8 29.7 32.3 21 A 125 C CB 40.2 31.1 32.8 23 A 125
C SG 40.6 31.2 34.5 25 A 125 C C 38.6 29.3 33.1 22 A 125 C O 38.7
28.5 34.1 22 A 126 Y N 37.4 29.8 32.8 20 A 126 Y CA 36.2 29.4 33.5
20 A 126 Y CB 35.1 30.4 33.2 22 A 126 Y CG 33.8 30.1 33.9 23 A 126
Y CD1 33.7 29.8 35.3 25 A 126 Y CE1 32.5 29.6 35.9 26 A 126 Y CD2
32.5 30.2 33.2 25 A 126 Y CE2 31.3 30.0 33.9 26 A 126 Y CZ 31.4
29.7 35.2 26 A 126 Y OH 30.2 29.4 35.9 31 A 126 Y C 35.7 28.0 33.2
19 A 126 Y O 35.3 27.3 34.1 18 A 127 F N 35.9 27.5 32.0 18 A 127 F
CA 35.5 26.2 31.6 18 A 127 F CB 35.6 26.0 30.1 18 A 127 F CG 34.4
26.5 29.3 21 A 127 F CD1 33.2 26.7 29.9 17 A 127 F CD2 34.6 26.9
27.9 17 A 127 F CE1 32.1 27.2 29.1 18 A
127 F CE2 33.5 27.4 27.2 19 A 127 F CZ 32.3 27.5 27.8 19 A 127 F C
36.4 25.2 32.3 16 A 127 F O 36.0 24.1 32.7 14 A 128 L N 37.7 25.6
32.4 16 A 128 L CA 38.7 24.7 33.0 17 A 128 L CB 40.1 25.2 32.8 17 A
128 L CG 41.1 24.3 33.4 18 A 128 L CD1 41.2 23.0 32.6 21 A 128 L
CD2 42.5 25.0 33.4 21 A 128 L C 38.3 24.5 34.5 18 A 128 L O 38.4
23.4 35.0 16 A 129 Y N 38.0 25.7 35.1 18 A 129 Y CA 37.7 25.6 36.5
17 A 129 Y CB 37.2 27.0 37.0 17 A 129 Y CG 36.8 27.0 38.4 16 A 129
Y CD1 37.7 26.6 39.4 18 A 129 Y CE1 37.3 26.5 40.8 19 A 129 Y CD2
35.4 27.2 38.8 17 A 129 Y CE2 35.0 27.1 40.2 16 A 129 Y CZ 36.0
26.8 41.1 18 A 129 Y OH 35.7 26.6 42.5 15 A 129 Y C 36.6 24.6 36.8
19 A 129 Y O 36.7 23.7 37.6 18 A 130 Q N 35.5 24.8 36.1 19 A 130 Q
CA 34.3 23.9 36.2 20 A 130 Q CB 33.2 24.3 35.3 22 A 130 Q CG 32.7
25.7 35.6 20 A 130 Q CD 31.5 26.1 34.8 23 A 130 Q OE1 30.4 25.7
35.1 25 A 130 Q NE2 31.7 26.9 33.8 22 A 130 Q C 34.6 22.4 36.0 19 A
130 Q O 34.1 21.5 36.6 21 A 131 I N 35.5 22.1 35.0 18 A 131 I CA
35.9 20.8 34.7 17 A 131 I CB 36.8 20.6 33.5 16 A 131 I CG2 37.3
19.2 33.4 18 A 131 I CG1 36.1 21.0 32.2 18 A 131 I CD1 37.1 21.3
31.0 13 A 131 I C 36.6 20.2 35.9 15 A 131 I O 36.3 19.0 36.3 13 A
132 L N 37.5 20.9 36.5 14 A 132 L CA 38.3 20.5 37.6 12 A 132 L CB
39.6 21.3 37.8 10 A 132 L CG 40.6 21.2 36.7 12 A 132 L CD1 41.7
22.2 36.9 8 A 132 L CD2 41.1 19.7 36.6 10 A 132 L C 37.5 20.5 38.9
10 A 132 L O 37.8 19.7 39.8 15 A 133 R N 36.5 21.4 39.0 13 A 133 R
CA 35.7 21.4 40.2 11 A 133 R CB 34.7 22.6 40.1 12 A 133 R CG 33.9
22.9 41.4 12 A 133 R CD 33.2 24.2 41.3 14 A 133 R NE 32.2 24.5 42.4
17 A 133 R CZ 30.9 24.5 42.3 20 A 133 R NH1 30.4 24.2 41.1 21 A 133
R NH2 30.1 24.7 43.3 15 A 133 R C 34.9 20.1 40.2 12 A 133 R O 34.8
19.4 41.2 12 A 134 G N 34.3 19.8 39.0 13 A 134 G CA 33.5 18.6 38.9
14 A 134 G C 34.4 17.4 39.1 16 A 134 G O 34.0 16.4 39.8 15 A 135 L
N 35.6 17.4 38.6 15 A 135 L CA 36.6 16.3 38.7 16 A 135 L CB 37.8
16.4 37.8 15 A 135 L CG 38.8 15.2 37.8 17 A 135 L CD1 38.0 14.0
37.2 17 A 135 L CD2 40.0 15.5 36.8 11 A 135 L C 37.0 16.1 40.2 16 A
135 L O 37.4 15.0 40.6 15 A 136 K N 37.1 17.2 40.9 15 A 136 K CA
37.5 17.2 42.3 14 A 136 K CB 37.6 18.6 42.8 15 A 136 K CG 37.8 18.7
44.3 14 A 136 K CD 37.9 20.1 44.8 15 A 136 K CE 37.9 20.2 46.3 14 A
136 K NZ 38.1 21.6 46.7 14 A 136 K C 36.5 16.3 43.1 15 A 136 K O
36.9 15.5 43.9 12 A 137 Y N 35.2 16.6 42.8 17 A 137 Y CA 34.2 15.9
43.5 17 A 137 Y CB 32.8 16.5 43.2 18 A 137 Y CG 31.6 15.7 43.7 20 A
137 Y CD1 31.1 16.1 45.0 20 A 137 Y CE1 30.0 15.4 45.5 19 A 137 Y
CD2 31.1 14.6 43.1 19 A 137 Y CE2 30.0 13.9 43.6 21 A 137 Y CZ 29.5
14.3 44.8 22 A 137 Y OH 28.4 13.6 45.3 27 A 137 Y C 34.2 14.4 43.1
19 A 137 Y O 34.2 13.5 44.0 17 A 138 I N 34.4 14.1 41.8 19 A 138 I
CA 34.4 12.7 41.3 20 A 138 I CB 34.7 12.7 39.8 19 A 138 I CG2 34.8
11.2 39.3 22 A 138 I CG1 33.6 13.4 39.0 18 A 138 I CD1 33.9 13.6
37.6 16 A 138 I C 35.6 11.9 42.0 21 A 138 I O 35.3 10.9 42.6 22 A
139 H N 36.8 12.5 42.0 20 A 139 H CA 37.9 11.9 42.6 21 A 139 H CB
39.2 12.7 42.3 20 A 139 H CG 39.7 12.4 40.9 21 A 139 H CD2 39.3
11.6 39.9 21 A 139 H ND1 40.9 12.9 40.5 21 A 139 H CE1 41.2 12.5
39.2 19 A 139 H NE2 40.2 11.7 38.9 25 A 139 H C 37.8 11.7 44.1 19 A
139 H O 38.4 10.8 44.7 19 A 140 S N 37.1 12.6 44.8 19 A 140 S CA
36.9 12.5 46.2 15 A 140 S CB 36.2 13.7 46.8 15 A 140 S OG 34.9 13.8
46.3 14 A 140 S C 36.1 11.3 46.5 17 A 140 S O 36.1 10.7 47.6 17 A
141 A N 35.3 10.8 45.6 17 A 141 A CA 34.4 9.7 45.7 18 A 141 A CB
33.1 9.9 44.9 16 A 141 A C 35.1 8.3 45.3 19 A 141 A O 34.5 7.3 45.3
23 A 142 N N 36.4 8.4 44.9 20 A 142 N CA 37.1 7.2 44.5 20 A 142 N
CB 37.0 6.1 45.5 22 A 142 N CG 37.6 6.4 46.8 26 A 142 N OD1 38.7
7.1 46.9 25 A 142 N ND2 37.0 5.9 47.9 26 A 142 N C 36.7 6.7 43.1 19
A 142 N O 37.1 5.6 42.7 16 A 143 V N 36.1 7.6 42.4 16 A 143 V CA
35.6 7.3 41.0 16 A 143 V CB 34.2 7.8 40.7 17 A 143 V CG1 33.9 7.7
39.3 16 A 143 V CG2 33.2 7.1 41.6 16 A 143 V C 36.6 7.8 40.0 19 A
143 V O 37.2 8.9 40.2 17 A 144 L N 36.9 7.1 38.9 20 A 144 L CA 37.7
7.5 37.8 19 A 144 L CB 38.8 6.5 37.4 19 A 144 L CG 39.7 5.6 38.3 20
A 144 L CD1 41.0 5.4 37.5 14 A 144 L CD2 40.0 6.4 39.6 19 A 144 L C
36.7 7.6 36.7 20 A 144 L O 36.0 6.7 36.4 20 A 145 H N 36.7 8.8 36.0
19 A 145 H CA 35.7 8.9 34.9 17 A 145 H CB 35.6 10.4 34.5 15 A 145 H
CG 34.6 10.6 33.4 16 A 145 H CD2 33.4 11.2 33.5 13 A 145 H ND1 34.9
10.3 32.1 16 A 145 H CE1 33.8 10.7 31.4 17 A 145 H NE2 32.9 11.2
32.2 15 A 145 H C 36.2 8.0 33.8 19 A 145 H O 35.4 7.2 33.3 18 A 146
R N 37.4 8.2 33.3 20 A 146 R CA 38.0 7.4 32.2 18 A 146 R CB 37.8
6.0 32.4 22 A 146 R CG 38.4 5.3 33.6 19 A 146 R CD 37.6 4.1 33.8 19
A 146 R NE 38.4 2.9 34.0 18 A 146 R CZ 37.9 1.7 34.1 21 A 146 R NH1
36.6 1.5 33.9 13 A 146 R NH2 38.7 0.7 34.2 21 A 146 R C 37.7 7.8
30.8 18 A 146 R O 38.2 7.2 29.9 20 A 147 D N 36.7 8.7 30.6 16 A 147
D CA 36.4 9.0 29.2 17 A 147 D CB 35.2 8.2 28.8 15 A 147 D CG 35.1
8.1 27.2 19 A 147 D OD1 36.2 8.5 26.6 14 A 147 D OD2 34.1 7.7 26.7
17 A 147 D C 36.2 10.5 29.0 18 A 147 D O 35.2 10.9 28.3 19 A 148 L
N 37.0 11.3 29.7 16 A 148 L CA 36.9 12.7 29.6 16 A 148 L CB 37.8
13.4 30.7 16 A 148 L CG 37.1 13.9 32.0 17 A 148 L CD1 35.8 13.3
32.2 16 A 148 L CD2 38.0 13.7 33.1 13 A 148 L C 37.4 13.2 28.2 18 A
148 L O 38.5 12.8 27.8 17 A 149 K N 36.5 14.0 27.6 18 A 149 K CA
36.8 14.5 26.2 19 A 149 K CB 36.8 13.4 25.2 18 A 149 K CG 35.5 12.6
25.2 18 A 149 K CD 35.5 11.6 24.0 17 A 149 K CE 34.3 10.6 24.0 14 A
149 K NZ 34.3 9.9 22.7 19 A 149 K C 35.8 15.6 25.9 20 A 149 K O
34.7 15.7 26.5 22 A 150 P N 36.1 16.5 25.0 18 A 150 P CD 37.3 16.5
24.1 16 A 150 P CA 35.2 17.6 24.7 19 A 150 P CB 35.8 18.2 23.4 19 A
150 P CG 37.2 17.9 23.5 19 A 150 P C 33.7 17.3 24.6 19 A 150 P O
32.9 18.1 25.1 21 A 151 S N 33.3 16.2 23.9 20 A 151 S CA 31.9 15.9
23.7 20 A 151 S CB 31.7 14.8 22.6 21 A 151 S OG 32.2 13.6 23.0 29 A
151 S C 31.2 15.4 25.0 20 A 151 S O 30.0 15.2 25.0 21 A 152 N N
32.0 15.2 26.1 21 A 152 N CA 31.4 14.7 27.3 19 A 152 N CB 32.2 13.6
27.9 21 A 152 N CG 31.9 12.3 27.3 20 A 152 N OD1 30.9 12.1 26.6 24
A 152 N ND2 32.7 11.3 27.5 18 A 152 N C 31.3 15.9 28.3 19 A 152 N O
31.2 15.7 29.5 21 A 153 L N 31.5 17.1 27.8 21 A 153 L CA 31.4 18.3
28.6 21 A 153 L CB 32.7 19.1 28.4 20 A 153 L CG 34.0 18.3 28.9 21 A
153 L CD1 35.2 19.2 28.8 21 A 153 L CD2 33.8 17.9 30.4 19 A 153 L C
30.3 19.1 28.0 21 A 153 L O 30.4 19.8 27.0 23 A 154 L N 29.1 19.0
28.7 20 A 154 L CA 27.9 19.7 28.2 20 A 154 L CB 26.7 19.0 28.8 19 A
154 L CG 26.8 17.5 28.5 20 A 154 L CD1 25.6 16.7 29.1 18 A 154 L
CD2 26.9 17.3 27.0 19 A 154 L C 27.9 21.2 28.7 20 A 154 L O 28.4
21.5 29.8 19 A 155 L N 27.4 22.1 27.8 21 A 155 L CA 27.3 23.5 28.1
25 A 155 L CB 28.3 24.2 27.3 25 A 155 L CG 29.9 24.3 27.4 24 A 155
L CD1 30.4 23.3 28.4 25 A 155 L CD2 30.5 24.1 26.1 16 A 155 L C
26.0 24.0 27.8 26 A 155 L O 25.1 23.4 27.2 24 A 156 N N 25.7 25.3
28.2 28 A 156 N CA 24.5 26.0 27.9 29 A 156 N CB 23.5 25.9 29.1 28 A
156 N CG 23.9 26.5 30.3 31 A 156 N OD1 24.7 27.5 30.3 33 A 156 N
ND2 23.4 26.0 31.5 27 A 156 N C 24.9 27.4 27.7 30 A 156 N O 26.1
27.8 27.9 30 A 157 T N 24.0 28.2 27.2 32 A 157 T CA 24.2 29.6 26.8
33 A 157 T CB 22.8 30.3 26.6 36 A 157 T OG1 22.2 29.7 25.4 41 A 157
T CG2 23.0 31.8 26.2 36 A 157 T C 25.0 30.4 27.8 32 A 157 T O 25.8
31.3 27.5 33 A
158 T N 24.7 30.2 29.1 28 A 158 T CA 25.4 31.0 30.2 27 A 158 T CB
24.4 31.1 31.4 27 A 158 T OG1 23.8 29.9 31.7 31 A 158 T CG2 23.4
32.2 31.1 29 A 158 T C 26.7 30.4 30.7 26 A 158 T O 27.2 30.8 31.7
21 A 159 C N 27.3 29.5 29.9 26 A 159 C CA 28.6 28.9 30.2 25 A 159 C
CB 29.6 30.0 30.5 27 A 159 C SG 30.0 31.1 29.1 29 A 159 C C 28.6
27.9 31.4 25 A 159 C O 29.6 27.6 31.9 28 A 160 D N 27.4 27.3 31.7
26 A 160 D CA 27.4 26.3 32.7 26 A 160 D CB 26.0 26.0 33.2 30 A 160
D CG 25.3 27.1 33.9 30 A 160 D OD1 25.9 27.5 35.0 32 A 160 D OD2
24.3 27.6 33.5 31 A 160 D C 28.0 25.1 32.1 25 A 160 D O 27.7 24.9
30.9 26 A 161 L N 28.8 24.3 32.8 21 A 161 L CA 29.4 23.1 32.2 19 A
161 L CB 30.9 23.4 32.1 18 A 161 L CG 31.7 22.2 31.5 17 A 161 L CD1
33.0 22.7 30.9 16 A 161 L CD2 31.9 21.2 32.6 13 A 161 L C 29.1 22.0
33.1 17 A 161 L O 29.1 22.1 34.4 15 A 162 K N 28.8 20.8 32.5 18 A
162 K CA 28.6 19.6 33.3 20 A 162 K CB 27.1 19.3 33.3 20 A 162 K CG
26.2 20.1 34.2 19 A 162 K CD 25.2 19.3 34.9 21 A 162 K CE 24.4 20.0
35.9 19 A 162 K NZ 23.4 20.9 35.2 19 A 162 K C 29.3 18.4 32.6 20 A
162 K O 29.2 18.2 31.4 19 A 163 I N 29.9 17.6 33.5 20 A 163 I CA
30.6 16.4 33.0 20 A 163 I CB 31.7 15.9 34.0 19 A 163 I CG2 32.3
14.6 33.6 16 A 163 I CG1 32.8 17.0 34.1 19 A 163 I CD1 33.8 16.7
35.2 19 A 163 I C 29.5 15.3 32.9 21 A 163 I O 28.8 15.0 33.9 22 A
164 C N 29.4 14.6 31.8 21 A 164 C CA 28.4 13.6 31.6 21 A 164 C CB
27.3 14.0 30.6 19 A 164 C SG 27.9 14.1 28.9 23 A 164 C C 29.1 12.3
31.1 19 A 164 C O 30.4 12.3 31.1 18 A 165 D N 28.3 11.3 30.8 23 A
165 D CA 28.8 10.0 30.2 25 A 165 D CB 29.4 10.3 28.8 26 A 165 D CG
29.6 9.0 28.0 32 A 165 D OD1 30.1 9.0 26.9 33 A 165 D OD2 29.3 7.9
28.6 32 A 165 D C 29.8 9.3 31.1 25 A 165 D O 31.0 9.3 30.9 26 A 166
F N 29.2 8.7 32.1 25 A 166 F CA 30.0 7.9 33.1 24 A 166 F CB 29.5
8.1 34.5 22 A 166 F CG 29.9 9.4 35.1 21 A 166 F CD1 29.4 10.6 34.6
20 A 166 F CD2 30.8 9.4 36.2 18 A 166 F CE1 29.8 11.8 35.2 19 A 166
F CE2 31.2 10.6 36.8 18 A 166 F CZ 30.7 11.9 36.3 19 A 166 F C 29.9
6.4 32.8 24 A 166 F O 30.0 5.6 33.6 23 A 167 G N 29.7 6.1 31.5 25 A
167 G CA 29.6 4.7 31.0 27 A 167 G C 30.9 4.0 31.3 28 A 167 G O 30.9
2.8 31.5 31 A 168 L N 32.0 4.6 31.2 27 A 168 L CA 33.3 4.0 31.4 27
A 168 L CB 34.3 4.4 30.4 30 A 168 L CG 35.6 3.6 30.1 37 A 168 L CD1
35.2 2.2 29.6 37 A 168 L CD2 36.4 4.3 29.0 39 A 168 L C 33.8 4.3
32.8 25 A 168 L O 34.9 3.7 33.2 24 A 169 A N 33.1 5.1 33.6 25 A 169
A CA 33.5 5.4 35.0 24 A 169 A CB 32.6 6.4 35.6 23 A 169 A C 33.6
4.1 35.9 25 A 169 A O 33.0 3.1 35.6 23 A 170 R N 34.4 4.2 36.9 25 A
170 R CA 34.6 3.1 37.8 26 A 170 R CB 35.6 2.1 37.2 29 A 170 R CG
36.1 1.0 38.1 33 A 170 R CD 37.5 0.6 37.6 34 A 170 R NE 37.7 -0.9
37.7 37 A 170 R CZ 37.9 -1.5 38.8 37 A 170 R NH1 37.9 -0.9 40.0 41
A 170 R NH2 38.1 -2.8 38.8 42 A 170 R C 35.1 3.5 39.2 26 A 170 R O
35.6 4.6 39.3 28 A 171 V N 34.9 2.7 40.2 26 A 171 V CA 35.3 2.9
41.5 24 A 171 V CB 34.3 2.4 42.6 22 A 171 V CG1 34.8 2.5 44.0 24 A
171 V CG2 33.0 3.2 42.5 21 A 171 V C 36.6 2.2 41.8 24 A 171 V O
36.8 1.0 41.4 20 A 172 A N 37.5 2.9 42.5 24 A 172 A CA 38.8 2.3
42.8 26 A 172 A CB 39.9 2.6 41.8 26 A 172 A C 39.2 2.7 44.2 28 A
172 A O 39.8 3.8 44.4 30 A 173 D N 38.9 1.9 45.2 28 A 173 D CA 39.1
2.2 46.6 30 A 173 D CB 38.5 1.2 47.5 31 A 173 D CG 38.3 1.6 48.9 32
A 173 D OD1 39.2 2.3 49.4 30 A 173 D OD2 37.4 1.2 49.5 34 A 173 D C
40.6 2.3 46.9 33 A 173 D O 41.3 1.3 46.8 33 A 174 P N 41.1 3.5 47.3
35 A 174 P CD 40.4 4.6 47.8 35 A 174 P CA 42.6 3.6 47.6 38 A 174 P
CB 42.7 5.1 48.1 37 A 174 P CG 41.4 5.7 47.7 37 A 174 P C 43.1 2.6
48.6 40 A 174 P O 44.3 2.3 48.6 42 A 175 D N 42.2 2.1 49.5 41 A 175
D CA 42.6 1.2 50.6 43 A 175 D CB 41.5 1.0 51.6 42 A 175 D CG 41.3
2.3 52.4 43 A 175 D OD1 42.3 3.0 52.6 43 A 175 D OD2 40.2 2.4 52.9
42 A 175 D C 43.0 -0.2 50.0 44 A 175 D O 43.5 -1.1 50.7 45 A 176 H
N 42.8 -0.4 48.7 44 A 176 H CA 43.1 -1.6 48.0 45 A 176 H CB 41.9
-2.4 47.6 45 A 176 H CG 41.1 -3.0 48.7 47 A 176 H CD2 40.3 -2.4
49.6 49 A 176 H ND1 41.0 -4.3 48.9 48 A 176 H CE1 40.2 -4.5 49.9 49
A 176 H NE2 39.8 -3.4 50.4 50 A 176 H C 44.1 -1.4 46.9 45 A 176 H O
43.8 -0.6 46.0 46 A 177 D N 45.2 -2.2 46.8 45 A 177 D CA 46.1 -2.1
45.7 45 A 177 D CB 47.4 -3.0 46.0 48 A 177 D CG 48.2 -3.2 44.8 50 A
177 D OD1 48.6 -2.2 44.1 51 A 177 D OD2 48.4 -4.4 44.5 51 A 177 D C
45.4 -2.6 44.5 44 A 177 D O 45.0 -3.8 44.4 43 A 178 H N 45.2 -1.8
43.5 40 A 178 H CA 44.6 -2.2 42.3 38 A 178 H CB 43.6 -1.0 41.8 37 A
178 H CG 42.3 -1.0 42.5 36 A 178 H CD2 41.1 -1.4 42.1 33 A 178 H
ND1 42.2 -0.5 43.8 36 A 178 H CE1 40.9 -0.7 44.1 36 A 178 H NE2
40.2 -1.2 43.1 34 A 178 H C 45.5 -2.6 41.2 35 A 178 H O 45.0 -2.8
40.1 36 A 179 T N 46.8 -2.7 41.5 34 A 179 T CA 47.7 -3.1 40.5 35 A
179 T CB 49.1 -3.4 41.1 36 A 179 T OG1 49.5 -2.3 41.9 37 A 179 T
CG2 50.2 -3.6 40.0 35 A 179 T C 47.2 -4.4 39.8 35 A 179 T O 47.0
-5.4 40.5 35 A 180 G N 47.1 -4.4 38.5 34 A 180 G CA 46.7 -5.5 37.7
33 A 180 G C 45.2 -5.7 37.7 35 A 180 G O 44.7 -6.7 37.1 36 A 181 F
N 44.4 -4.8 38.2 35 A 181 F CA 42.9 -5.0 38.2 37 A 181 F CB 42.4
-4.9 39.7 40 A 181 F CG 42.9 -6.0 40.6 43 A 181 F CD1 42.9 -7.3
40.2 45 A 181 F CD2 43.4 -5.6 41.8 43 A 181 F CE1 43.4 -8.3 41.1 45
A 181 F CE2 43.9 -6.5 42.7 43 A 181 F CZ 43.9 -7.9 42.4 46 A 181 F
C 42.0 -4.1 37.4 35 A 181 F O 40.8 -4.3 37.3 37 A 182 L N 42.6 -3.1
36.7 34 A 182 L CA 41.8 -2.2 35.9 33 A 182 L CB 42.3 -0.8 36.0 34 A
182 L CG 42.5 -0.3 37.4 34 A 182 L CD1 43.1 1.1 37.4 34 A 182 L CD2
41.2 -0.3 38.2 33 A 182 L C 41.6 -2.6 34.4 33 A 182 L O 42.5 -3.2
33.9 34 A 183 X N 40.5 -2.2 33.8 33 A 183 X CA 40.2 -2.5 32.5 30 A
183 X CB 38.9 -2.0 32.0 31 A 183 X OG1 37.9 -2.8 32.8 33 A 183 X
CG2 38.6 -2.3 30.6 26 A 183 X C 41.3 -1.9 31.6 30 A 183 X O 41.7
-0.8 31.8 28 A 183 X S 37.5 -2.3 34.2 32 A 183 X P 36.9 -3.9 35.2
37 A 183 X O1 37.0 -3.6 36.8 40 A 183 X O2 35.5 -4.3 34.9 39 A 183
X O3 37.9 -5.1 34.9 41 A 184 E N 41.8 -2.7 30.7 30 A 184 E CA 42.9
-2.3 29.8 33 A 184 E CB 43.5 -3.5 29.1 33 A 184 E CG 44.9 -3.4 28.7
39 A 184 E CD 45.5 -4.6 28.2 41 A 184 E OE1 45.3 -5.7 28.9 41 A 184
E OE2 46.2 -4.6 27.2 45 A 184 E C 42.7 -1.2 28.8 33 A 184 E O 43.5
-0.1 28.8 37 A 185 Z N 41.8 -1.3 27.9 30 A 185 Z CA 41.5 -0.4 26.8
29 A 185 Z CB 41.0 -1.3 25.6 29 A 185 Z CG 41.0 -0.6 24.2 26 A 185
Z CD1 42.1 -0.2 23.5 27 A 185 Z CE1 42.0 0.4 22.2 24 A 185 Z CD2
39.7 -0.4 23.6 26 A 185 Z CE2 39.6 0.2 22.3 26 A 185 Z CZ 40.8 0.5
21.6 25 A 185 Z OH 40.6 1.0 20.3 27 A 185 Z C 40.5 0.7 27.1 30 A
185 Z O 39.4 0.7 26.6 31 A 185 Z S 41.0 2.5 20.0 30 A 185 Z P 43.0
2.4 19.5 26 A 185 Z O1 43.6 3.9 19.5 38 A 185 Z O2 43.2 1.8 18.1 38
A 185 Z O3 43.8 1.6 20.6 38 A 186 V N 40.9 1.6 27.9 29 A 186 V CA
40.0 2.7 28.4 26 A 186 V CB 40.0 2.8 29.9 29 A 186 V CG1 39.5 1.5
30.5 29 A 186 V CG2 41.4 3.1 30.4 29 A 186 V C 40.4 4.1 27.8 25 A
186 V O 41.4 4.4 27.3 18 A 187 A N 39.4 5.0 27.9 24 A 187 A CA 39.5
6.4 27.4 23 A 187 A CB 40.8 7.0 28.0 23 A 187 A C 39.5 6.4 25.9 23
A 187 A O 39.8 5.4 25.3 25 A 188 T N 39.1 7.6 25.3 22 A 188 T CA
39.1 7.7 23.9 20 A 188 T CB 38.2 8.9 23.5 21 A 188 T OG1 36.8 8.5
23.9 21 A 188 T CG2 38.2 9.1 22.0 18 A 188 T C 40.6 8.0 23.5 21 A
188 T O 41.2 8.9 24.1 19 A 189 R N 41.0 7.3 22.5 20 A 189 R CA 42.4
7.4 22.0 20 A
189 R CB 42.5 6.9 20.5 21 A 189 R CG 44.0 6.7 20.1 21 A 189 R CD
44.1 6.6 18.6 24 A 189 R NE 43.2 5.6 18.0 24 A 189 R CZ 42.7 5.7
16.8 25 A 189 R NH1 42.9 6.8 16.1 20 A 189 R NH2 41.8 4.8 16.4 23 A
189 R C 43.1 8.7 22.1 19 A 189 R O 44.1 8.8 22.8 18 A 190 W N 42.6
9.8 21.5 18 A 190 W CA 43.3 11.0 21.5 19 A 190 W CB 42.6 12.1 20.7
17 A 190 W CG 42.4 11.8 19.3 20 A 190 W CD2 41.6 12.5 18.3 18 A 190
W CE2 41.8 11.9 17.1 19 A 190 W CE3 40.7 13.6 18.4 22 A 190 W CD1
43.1 10.9 18.6 19 A 190 W NE1 42.7 10.9 17.2 19 A 190 W CZ2 41.1
12.4 15.9 18 A 190 W CZ3 40.0 14.0 17.3 21 A 190 W CH2 40.2 13.4
16.0 21 A 190 W C 43.5 11.6 23.0 17 A 190 W O 44.5 12.3 23.2 19 A
191 Y N 42.7 11.1 23.9 17 A 191 Y CA 42.7 11.6 25.3 16 A 191 Y CB
41.3 12.1 25.7 15 A 191 Y CG 40.7 13.1 24.7 19 A 191 Y CD1 40.0
12.6 23.6 20 A 191 Y CE1 39.6 13.5 22.6 19 A 191 Y CD2 41.0 14.4
24.9 20 A 191 Y CE2 40.6 15.3 23.9 16 A 191 Y CZ 39.9 14.9 22.8 20
A 191 Y OH 39.6 15.7 21.7 18 A 191 Y C 43.3 10.5 26.3 15 A 191 Y O
43.2 10.7 27.5 14 A 192 R N 43.9 9.5 25.7 15 A 192 R CA 44.5 8.4
26.5 15 A 192 R CB 44.5 7.2 25.5 18 A 192 R CG 44.6 5.8 26.2 20 A
192 R CD 43.6 4.9 25.6 22 A 192 R NE 43.9 4.4 24.2 26 A 192 R CZ
43.1 3.9 23.4 25 A 192 R NH1 41.8 3.8 23.7 20 A 192 R NH2 43.5 3.5
22.2 22 A 192 R C 45.8 8.7 27.0 14 A 192 R O 46.8 9.1 26.3 17 A 193
A N 46.0 8.6 28.4 13 A 193 A CA 47.3 8.8 29.0 13 A 193 A CB 47.1
8.8 30.5 15 A 193 A C 48.3 7.8 28.6 16 A 193 A O 47.9 6.7 28.3 12 A
194 P N 49.6 8.2 28.6 16 A 194 P CD 50.2 9.4 29.2 12 A 194 P CA
50.6 7.2 28.2 16 A 194 P CB 51.9 8.0 28.5 15 A 194 P CG 51.5 9.4
28.5 15 A 194 P C 50.6 5.9 29.0 18 A 194 P O 50.8 4.8 28.5 18 A 195
E N 50.4 6.0 30.3 17 A 195 E CA 50.4 4.9 31.2 18 A 195 E CB 50.3
5.3 32.7 16 A 195 E CG 49.0 5.9 33.1 15 A 195 E CD 49.1 7.4 33.1 18
A 195 E OE1 49.9 8.0 32.5 21 A 195 E OE2 48.2 8.0 33.8 20 A 195 E C
49.3 3.8 30.9 19 A 195 E O 49.5 2.6 31.2 21 A 196 I N 48.2 4.2 30.2
20 A 196 I CA 47.2 3.3 29.9 21 A 196 I CB 46.0 4.0 29.2 23 A 196 I
CG2 45.1 3.0 28.5 22 A 196 I CG1 45.2 4.7 30.4 23 A 196 I CD1 44.2
5.7 29.9 22 A 196 I C 47.8 2.3 28.8 23 A 196 I O 47.4 1.1 28.8 24 A
197 M N 48.8 2.8 28.1 25 A 197 M CA 49.5 2.0 27.1 22 A 197 M CB
50.1 2.8 25.9 24 A 197 M CG 49.1 3.1 24.8 28 A 197 M SD 48.1 4.6
25.0 32 A 197 M CE 49.3 5.8 24.5 29 A 197 M C 50.7 1.3 27.7 23 A
197 M O 51.1 0.2 27.3 21 A 198 L N 51.4 2.0 28.7 24 A 198 L CA 52.6
1.4 29.3 25 A 198 L CB 53.6 2.6 29.5 26 A 198 L CG 54.4 3.2 28.4 28
A 198 L CD1 54.5 2.3 27.2 24 A 198 L CD2 53.8 4.5 28.0 27 A 198 L C
52.5 0.6 30.6 24 A 198 L O 53.4 -0.1 30.9 25 A 199 N N 51.4 0.8
31.3 24 A 199 N CA 51.1 0.1 32.5 24 A 199 N CB 51.4 1.0 33.7 24 A
199 N CG 51.3 0.3 35.1 25 A 199 N OD1 51.3 1.0 36.1 25 A 199 N ND2
51.3 -1.0 35.0 23 A 199 N C 49.6 -0.3 32.5 27 A 199 N O 48.8 -0.0
33.4 27 A 200 S N 49.2 -0.8 31.3 29 A 200 S CA 47.9 -1.2 30.9 31 A
200 S CB 47.9 -2.3 29.9 33 A 200 S OG 48.5 -3.5 30.4 35 A 200 S C
46.9 -1.5 32.0 30 A 200 S O 45.7 -1.2 31.9 31 A 201 K N 47.3 -2.2
33.1 27 A 201 K CA 46.4 -2.6 34.1 28 A 201 K CB 46.2 -4.1 34.2 28 A
201 K CG 45.9 -4.7 32.8 29 A 201 K CD 45.0 -6.0 33.0 32 A 201 K CE
43.7 -5.7 33.6 35 A 201 K NZ 42.8 -6.9 33.8 36 A 201 K C 46.6 -2.0
35.5 26 A 201 K O 46.0 -2.4 36.5 24 A 202 G N 47.6 -1.1 35.6 23 A
202 G CA 47.9 -0.5 36.9 23 A 202 G C 47.9 1.0 36.9 24 A 202 G O
48.5 1.6 37.7 24 A 203 Y N 47.1 1.6 36.0 25 A 203 Y CA 47.0 3.1
35.9 24 A 203 Y CB 46.4 3.5 34.6 22 A 203 Y CG 45.1 2.9 34.3 21 A
203 Y CD1 43.9 3.5 34.8 19 A 203 Y CE1 42.7 3.0 34.5 14 A 203 Y CD2
45.0 1.8 33.4 18 A 203 Y CE2 43.7 1.3 33.2 13 A 203 Y CZ 42.6 1.8
33.7 15 A 203 Y OH 41.3 1.3 33.5 16 A 203 Y C 46.1 3.5 37.1 25 A
203 Y O 45.5 2.7 37.8 25 A 204 T N 46.1 4.8 37.3 24 A 204 T CA 45.2
5.4 38.4 20 A 204 T CB 46.1 6.0 39.5 22 A 204 T OG1 46.8 7.1 39.0
21 A 204 T CG2 47.1 5.0 40.1 21 A 204 T C 44.3 6.5 37.9 21 A 204 T
O 44.3 6.7 36.7 20 A 205 K N 43.7 7.1 38.8 21 A 205 K CA 42.8 8.3
38.6 22 A 205 K CB 42.3 8.8 39.9 26 A 205 K CG 43.4 9.5 40.7 29 A
205 K CD 43.1 9.5 42.2 33 A 205 K CE 41.8 10.2 42.6 34 A 205 K NZ
41.4 9.9 44.0 36 A 205 K C 43.5 9.4 37.8 20 A 205 K O 42.8 10.2
37.2 20 A 206 S N 44.8 9.5 37.9 20 A 206 S CA 45.4 10.6 37.2 20 A
206 S CB 46.9 10.8 37.6 23 A 206 S OG 47.8 9.8 37.1 27 A 206 S C
45.3 10.6 35.7 19 A 206 S O 45.7 11.6 35.0 21 A 207 I N 44.8 9.5
35.1 16 A 207 I CA 44.6 9.5 33.7 17 A 207 I CB 44.2 8.1 33.1 17 A
207 I CG2 45.1 7.0 33.6 15 A 207 I CG1 42.7 7.8 33.6 20 A 207 I CD1
42.2 6.4 33.1 19 A 207 I C 43.5 10.5 33.3 17 A 207 I O 43.4 11.0
32.2 19 A 208 D N 42.7 10.8 34.3 17 A 208 D CA 41.6 11.8 34.1 16 A
208 D CB 40.6 11.8 35.2 16 A 208 D CG 39.6 10.6 35.2 16 A 208 D OD1
39.3 10.2 34.1 12 A 208 D OD2 39.3 10.1 36.3 19 A 208 D C 42.2 13.2
34.0 17 A 208 D O 41.8 14.0 33.2 17 A 209 I N 43.3 13.4 34.8 15 A
209 I CA 44.0 14.7 34.7 16 A 209 I CB 45.0 14.8 35.9 16 A 209 I CG2
45.9 16.1 35.6 17 A 209 I CG1 44.4 14.9 37.2 16 A 209 I CD1 43.6
16.2 37.5 18 A 209 I C 44.7 14.9 33.4 16 A 209 I O 44.7 16.0 32.8
17 A 210 W N 45.2 13.8 32.9 16 A 210 W CA 45.9 13.8 31.6 16 A 210 W
CB 46.4 12.4 31.2 16 A 210 W CG 47.0 12.4 29.9 14 A 210 W CD2 48.4
12.7 29.5 11 A 210 W CE2 48.4 12.6 28.1 13 A 210 W CE3 49.5 13.0
30.2 13 A 210 W CD1 46.3 12.2 28.7 14 A 210 W NE1 47.2 12.3 27.6 13
A 210 W CZ2 49.6 12.8 27.4 15 A 210 W CZ3 50.7 13.2 29.6 13 A 210 W
CH2 50.8 13.1 28.2 14 A 210 W C 44.9 14.2 30.5 16 A 210 W O 45.2
15.0 29.6 14 A 211 S N 43.7 13.7 30.6 17 A 211 S CA 42.6 14.0 29.7
17 A 211 S CB 41.4 13.2 30.0 17 A 211 S OG 41.6 11.8 29.7 14 A 211
S C 42.3 15.5 29.7 17 A 211 S O 42.2 16.1 28.7 18 A 212 V N 42.1
16.0 30.9 15 A 212 V CA 41.7 17.4 31.1 16 A 212 V CB 41.6 17.8 32.5
17 A 212 V CG1 41.4 19.4 32.6 17 A 212 V CG2 40.5 17.1 33.2 15 A
212 V C 42.9 18.2 30.4 19 A 212 V O 42.6 19.3 29.8 17 A 213 G N
44.1 17.7 30.5 20 A 213 G CA 45.2 18.3 29.9 19 A 213 G C 45.0 18.4
28.4 19 A 213 G O 45.2 19.5 27.8 23 A 214 C N 44.6 17.3 27.8 17 A
214 C CA 44.4 17.3 26.3 17 A 214 C CB 44.0 15.9 25.8 16 A 214 C SG
45.2 14.7 26.1 16 A 214 C C 43.3 18.3 26.0 17 A 214 C O 43.3 19.0
25.0 18 A 215 I N 42.3 18.4 26.9 20 A 215 I CA 41.1 19.3 26.6 19 A
215 I CB 40.0 18.9 27.6 16 A 215 I CG2 38.9 20.0 27.6 12 A 215 I
CG1 39.4 17.6 27.3 13 A 215 I CD1 38.6 17.0 28.4 14 A 215 I C 41.5
20.7 26.8 20 A 215 I O 41.0 21.6 26.0 22 A 216 L N 42.4 21.1 27.7
20 A 216 L CA 42.8 22.4 27.8 21 A 216 L CB 43.9 22.5 29.0 20 A 216
L CG 44.0 23.9 29.7 20 A 216 L CD1 45.5 24.0 30.1 20 A 216 L CD2
43.6 25.1 28.9 15 A 216 L C 43.5 22.8 26.5 22 A 216 L O 43.2 23.9
25.9 23 A 217 A N 44.4 22.0 26.0 22 A 217 A CA 45.2 22.3 24.8 21 A
217 A CB 46.1 21.1 24.5 22 A 217 A C 44.2 22.5 23.6 22 A 217 A O
44.4 23.3 22.8 22 A 218 E N 43.1 21.7 23.6 21 A 218 E CA 42.1 21.9
22.5 22 A 218 E CB 41.1 20.7 22.5 20 A 218 E CG 40.8 20.3 21.1 23 A
218 E CD 40.1 18.9 21.0 22 A 218 E OE1 40.7 17.9 21.6 20 A 218 E
OE2 39.1 18.8 20.4 24 A 218 E C 41.4 23.2 22.6 22 A 218 E O 41.1
23.9 21.6 23 A 219 M N 41.1 23.7 23.9 21 A 219 M CA 40.4 25.0 24.1
22 A 219 M CB 40.0 25.1 25.6 19 A 219 M CG 38.9 24.2 26.0 22 A 219
M SD 38.1 24.7 27.6 17 A 219 M CE 39.2 24.0 28.8 18 A 219 M C 41.3
26.1 23.7 21 A 219 M O 40.9 27.2 23.3 23 A
220 L N 42.6 25.9 23.8 22 A 220 L CA 43.6 26.9 23.4 22 A 220 L CB
44.9 26.6 24.1 19 A 220 L CG 45.0 26.8 25.7 16 A 220 L CD1 46.2
26.1 26.2 13 A 220 L CD2 45.0 28.3 26.0 16 A 220 L C 43.9 27.0 21.9
21 A 220 L O 44.3 28.1 21.5 22 A 221 S N 43.6 26.0 21.2 21 A 221 S
CA 43.9 26.1 19.7 22 A 221 S CB 45.2 25.4 19.5 26 A 221 S OG 45.1
24.0 19.7 29 A 221 S C 42.8 25.4 18.8 23 A 221 S O 43.0 25.4 17.6
25 A 222 N N 41.7 24.9 19.4 21 A 222 N CA 40.7 24.3 18.6 23 A 222 N
CB 40.1 25.3 17.6 21 A 222 N CG 39.4 26.4 18.4 22 A 222 N OD1 40.1
27.4 18.9 20 A 222 N ND2 38.1 26.4 18.5 22 A 222 N C 41.2 23.1 17.7
22 A 222 N O 40.8 22.9 16.6 22 A 223 R N 42.2 22.4 18.3 23 A 223 R
CA 42.7 21.3 17.5 25 A 223 R CB 43.9 21.8 16.7 30 A 223 R CG 44.2
21.0 15.4 37 A 223 R CD 45.6 21.3 14.9 42 A 223 R NE 46.6 20.5 15.7
47 A 223 R CZ 46.7 19.1 15.6 48 A 223 R NH1 45.9 18.5 14.8 48 A 223
R NH2 47.6 18.5 16.4 44 A 223 R C 43.2 20.2 18.5 22 A 223 R O 43.8
20.6 19.6 22 A 224 P N 42.9 18.9 18.2 20 A 224 P CD 42.1 18.3 17.2
19 A 224 P CA 43.4 17.9 19.2 16 A 224 P CB 42.8 16.6 18.8 13 A 224
P CG 42.6 16.9 17.2 22 A 224 P C 44.9 18.0 19.2 14 A 224 P O 45.5
18.1 18.1 13 A 225 I N 45.5 17.9 20.3 12 A 225 I CA 47.0 18.0 20.4
14 A 225 I CB 47.4 18.5 21.9 16 A 225 I CG2 46.9 17.5 22.9 16 A 225
I CG1 48.9 18.8 22.0 19 A 225 I CD1 49.3 19.9 21.2 23 A 225 I C
47.7 16.6 20.1 16 A 225 I O 48.8 16.6 19.5 15 A 226 F N 47.1 15.5
20.4 16 A 226 F CA 47.6 14.2 20.1 13 A 226 F CB 47.9 13.5 21.4 14 A
226 F CG 48.8 14.2 22.4 14 A 226 F CD1 50.0 14.9 22.0 15 A 226 F
CD2 48.4 14.3 23.7 13 A 226 F CE1 50.7 15.5 22.9 14 A 226 F CE2
49.1 15.0 24.6 14 A 226 F CZ 50.3 15.6 24.3 10 A 226 F C 46.7 13.4
19.3 15 A 226 F O 46.1 12.4 19.7 13 A 227 P N 46.5 13.7 18.0 15 A
227 P CD 47.1 14.9 17.3 14 A 227 P CA 45.6 12.9 17.1 17 A 227 P CB
45.3 14.0 16.0 14 A 227 P CG 46.5 14.7 15.8 14 A 227 P C 46.1 11.6
16.6 19 A 227 P O 46.3 11.5 15.3 20 A 228 G N 46.4 10.7 17.4 18 A
228 G CA 46.9 9.4 17.0 19 A 228 G C 45.9 8.7 16.1 20 A 228 G O 44.7
8.8 16.3 21 A 229 K N 46.4 7.9 15.2 20 A 229 K CA 45.5 7.2 14.2 22
A 229 K CB 46.2 7.3 12.8 24 A 229 K CG 46.4 8.7 12.4 28 A 229 K CD
47.3 8.8 11.2 34 A 229 K CE 47.4 10.2 10.6 34 A 229 K NZ 48.3 10.3
9.5 35 A 229 K C 45.2 5.7 14.6 21 A 229 K O 44.2 5.2 14.2 23 A 230
H N 46.1 5.1 15.4 21 A 230 H CA 45.9 3.8 15.8 21 A 230 H CB 46.7
2.8 14.9 21 A 230 H CG 46.3 2.9 13.5 25 A 230 H CD2 46.9 3.4 12.4
24 A 230 H ND1 45.0 2.4 13.0 26 A 230 H CE1 44.9 2.7 11.7 26 A 230
H NE2 46.1 3.3 11.3 24 A 230 H C 46.4 3.7 17.2 19 A 230 H O 47.0
4.7 17.8 20 A 231 Y N 46.3 2.5 17.9 21 A 231 Y CA 46.7 2.3 19.2 20
A 231 Y CB 46.6 0.8 19.6 18 A 231 Y CG 46.8 0.5 21.1 21 A 231 Y CD1
46.0 1.0 22.0 19 A 231 Y CE1 46.1 0.8 23.4 22 A 231 Y CD2 47.9 -0.3
21.5 23 A 231 Y CE2 48.0 -0.6 22.8 22 A 231 Y CZ 47.2 -0.0 23.8 21
A 231 Y OH 47.3 -0.4 25.1 24 A 231 Y C 48.1 2.8 19.6 19 A 231 Y O
48.2 3.8 20.4 15 A 232 L N 49.1 2.3 19.0 19 A 232 L CA 50.5 2.7
19.3 20 A 232 L CB 51.5 1.6 18.7 20 A 232 L CG 51.3 0.2 19.3 22 A
232 L CD1 52.4 -0.7 18.7 23 A 232 L CD2 51.5 0.2 20.8 21 A 232 L C
50.8 4.0 18.7 22 A 232 L O 51.7 4.8 19.3 19 A 233 D N 50.2 4.4 17.6
22 A 233 D CA 50.5 5.7 17.0 22 A 233 D CB 49.7 5.9 15.7 22 A 233 D
CG 50.0 7.1 14.9 25 A 233 D OD1 51.2 7.3 14.6 25 A 233 D OD2 49.1
8.0 14.7 27 A 233 D C 50.2 6.8 17.9 21 A 233 D O 50.8 7.9 17.9 22 A
234 Q N 49.3 6.6 18.8 20 A 234 Q CA 48.9 7.6 19.8 20 A 234 Q CB
47.7 7.0 20.7 21 A 234 Q CG 47.2 7.9 21.8 23 A 234 Q CD 46.7 9.2
21.2 24 A 234 Q OE1 46.0 9.2 20.1 26 A 234 Q NE2 46.9 10.4 21.9 22
A 234 Q C 50.1 8.0 20.7 20 A 234 Q O 50.3 9.1 20.9 21 A 235 L N
50.8 7.0 21.1 20 A 235 L CA 52.0 7.2 21.9 20 A 235 L CB 52.6 5.9
22.4 19 A 235 L CG 53.8 5.9 23.3 20 A 235 L CD1 53.5 6.7 24.6 19 A
235 L CD2 54.1 4.4 23.7 19 A 235 L C 53.0 8.1 21.2 20 A 235 L O
53.7 8.9 21.8 19 A 236 N N 53.1 7.9 19.9 19 A 236 N CA 54.1 8.6
19.1 20 A 236 N CB 54.3 8.1 17.7 24 A 236 N CG 55.0 6.8 17.7 27 A
236 N OD1 56.1 6.6 18.4 29 A 236 N ND2 54.6 5.8 16.9 28 A 236 N C
53.8 10.1 19.0 19 A 236 N O 54.7 11.0 19.1 21 A 237 H N 52.5 10.4
18.9 17 A 237 H CA 52.1 11.8 18.9 15 A 237 H CB 50.6 11.9 18.5 13 A
237 H CG 50.3 11.6 17.1 13 A 237 H CD2 50.1 10.4 16.5 13 A 237 H
ND1 50.2 12.6 16.1 14 A 237 H CE1 50.0 12.0 15.0 10 A 237 H NE2
50.0 10.7 15.1 16 A 237 H C 52.3 12.5 20.2 13 A 237 H O 52.6 13.7
20.3 18 A 238 I N 52.3 11.7 21.3 12 A 238 I CA 52.5 12.3 22.6 13 A
238 I CB 52.1 11.2 23.7 11 A 238 I CG2 52.6 11.7 25.1 8 A 238 I CG1
50.6 11.1 23.6 11 A 238 I CD1 50.0 10.1 24.6 9 A 238 I C 54.0 12.5
22.7 13 A 238 I O 54.4 13.7 23.1 13 A 239 L N 54.9 11.6 22.4 15 A
239 L CA 56.3 11.8 22.4 17 A 239 L CB 57.1 10.5 22.1 16 A 239 L CG
56.8 9.4 23.1 19 A 239 L CD1 57.7 8.2 22.9 18 A 239 L CD2 56.9 10.0
24.5 18 A 239 L C 56.7 12.9 21.4 17 A 239 L O 57.7 13.5 21.6 16 A
240 G N 55.9 13.1 20.4 18 A 240 G CA 56.1 14.1 19.4 19 A 240 G C
56.1 15.5 20.0 21 A 240 G O 56.7 16.4 19.5 20 A 241 I N 55.4 15.6
21.2 20 A 241 I CA 55.3 16.9 21.9 19 A 241 I CB 53.9 17.2 22.3 20 A
241 I CG2 53.8 18.5 23.1 19 A 241 I CG1 53.0 17.4 21.0 21 A 241 I
CD1 53.5 18.6 20.2 21 A 241 I C 56.2 16.9 23.1 19 A 241 I O 57.0
17.9 23.3 18 A 242 L N 56.1 15.9 24.0 19 A 242 L CA 56.9 15.9 25.2
19 A 242 L CB 56.3 14.9 26.2 19 A 242 L CG 54.9 15.1 26.7 23 A 242
L CD1 54.7 14.3 27.9 19 A 242 L CD2 54.6 16.6 26.9 21 A 242 L C
58.4 15.5 25.0 19 A 242 L O 59.3 15.8 25.8 17 A 243 G N 58.6 14.8
23.9 18 A 243 G CA 60.0 14.3 23.6 18 A 243 G C 60.1 13.0 24.3 20 A
243 G O 59.1 12.6 25.0 19 A 244 S N 61.2 12.3 24.1 20 A 244 S CA
61.4 11.0 24.8 23 A 244 S CB 62.7 10.4 24.4 22 A 244 S OG 62.7 10.1
23.0 26 A 244 S C 61.3 11.1 26.3 22 A 244 S O 61.7 12.2 26.9 21 A
245 P N 60.9 10.1 27.0 24 A 245 P CD 60.4 8.8 26.6 23 A 245 P CA
60.9 10.3 28.5 25 A 245 P CB 60.1 9.0 29.0 24 A 245 P CG 59.4 8.5
27.7 27 A 245 P C 62.3 10.3 29.0 25 A 245 P O 63.2 9.8 28.4 25 A
246 S N 62.5 10.9 30.2 28 A 246 S CA 63.8 11.0 30.8 29 A 246 S CB
63.8 11.9 32.0 27 A 246 S OG 63.0 11.3 33.1 26 A 246 S C 64.1 9.6
31.2 32 A 246 S O 63.2 8.7 31.4 31 A 247 Q N 65.4 9.3 31.3 36 A 247
Q CA 65.9 7.9 31.7 40 A 247 Q CB 67.4 7.9 31.9 42 A 247 Q CG 68.0
6.6 31.9 47 A 247 Q CD 67.5 5.7 33.1 51 A 247 Q OE1 67.5 6.1 34.2
53 A 247 Q NE2 67.2 4.5 32.8 52 A 247 Q C 65.1 7.5 33.0 39 A 247 Q
O 64.7 6.4 33.2 37 A 248 E N 65.0 8.5 33.9 40 A 248 E CA 64.3 8.3
35.2 41 A 248 E CB 64.4 9.5 36.1 43 A 248 E CG 63.5 9.6 37.3 48 A
248 E CD 63.8 10.8 38.2 52 A 248 E OE1 64.7 10.7 39.1 53 A 248 E
OE2 63.1 11.8 38.0 53 A 248 E C 62.8 7.9 35.0 40 A 248 E O 62.3 7.0
35.7 40 A 249 D N 62.1 8.5 34.1 36 A 249 D CA 60.7 8.2 33.9 35 A
249 D CB 60.0 9.2 33.0 32 A 249 D CG 60.0 10.6 33.6 32 A 249 D OD1
59.8 10.7 34.8 31 A 249 D OD2 60.1 11.6 32.9 34 A 249 D C 60.6 6.8
33.2 34 A 249 D O 59.6 6.1 33.5 34 A 250 L N 61.5 6.5 32.4 34 A 250
L CA 61.6 5.2 31.6 36 A 250 L CB 62.8 5.2 30.7 35 A 250 L CG 62.6
4.9 29.2 38 A 250 L CD1 61.9 3.6 29.0 40 A 250 L CD2 61.7 6.0 28.6
40 A 250 L C 61.7 4.1 32.6 36 A 250 L O 61.0 3.1 32.5 36 A 251 N N
62.5 4.3 33.7 36 A 251 N CA 62.7 3.3 34.7 37 A 251 N CB 63.9 3.6
35.5 38 A 251 N CG 65.2 3.5 34.7 40 A 251 N OD1 66.3 4.0 35.2 41 A
251 N ND2 65.1 3.0 33.5 38 A
251 N C 61.5 3.0 35.6 38 A 251 N O 61.5 2.1 36.4 39 A 252 C N 60.5
3.9 35.6 35 A 252 C CA 59.3 3.8 36.4 34 A 252 C CB 58.6 5.1 36.6 33
A 252 C SG 59.4 6.2 37.7 31 A 252 C C 58.4 2.8 35.7 34 A 252 C O
57.4 2.2 36.3 32 A 253 I N 58.6 2.5 34.4 35 A 253 I CA 57.8 1.5
33.6 34 A 253 I CB 58.1 1.7 32.1 33 A 253 I CG2 57.3 0.6 31.4 32 A
253 I CG1 57.7 3.1 31.7 31 A 253 I CD1 56.3 3.5 31.9 28 A 253 I C
58.3 0.2 34.1 36 A 253 I O 59.4 -0.2 33.8 36 A 254 I N 57.4 -0.6
34.7 37 A 254 I CA 57.7 -1.9 35.2 39 A 254 I CB 56.8 -2.3 36.4 40 A
254 I CG2 57.2 -3.7 36.9 38 A 254 I CG1 57.0 -1.2 37.5 41 A 254 I
CD1 55.9 -1.3 38.5 44 A 254 I C 57.6 -3.0 34.1 41 A 254 I O 58.4
-3.8 33.9 42 A 255 N N 56.4 -2.9 33.4 40 A 255 N CA 56.2 -3.9 32.3
39 A 255 N CB 54.9 -3.5 31.5 40 A 255 N CG 54.6 -4.5 30.4 41 A 255
N OD1 54.0 -5.6 30.6 41 A 255 N ND2 55.0 -4.2 29.2 40 A 255 N C
57.4 -3.9 31.3 39 A 255 N O 57.6 -2.8 30.7 38 A 256 L N 58.1 -5.0
31.2 37 A 256 L CA 59.3 -5.0 30.4 38 A 256 L CB 60.1 -6.3 30.7 39 A
256 L CG 61.2 -6.1 31.7 40 A 256 L CD1 60.8 -5.2 32.8 38 A 256 L
CD2 61.7 -7.4 32.2 39 A 256 L C 59.0 -5.0 28.9 37 A 256 L O 59.9
-4.5 28.1 37 A 257 K N 57.8 -5.4 28.4 35 A 257 K CA 57.5 -5.3 27.0
36 A 257 K CB 56.2 -6.0 26.6 38 A 257 K CG 56.1 -7.3 27.5 48 A 257
K CD 57.3 -8.3 27.4 51 A 257 K CE 57.1 -9.4 28.4 54 A 257 K NZ 55.9
-10.3 28.1 54 A 257 K C 57.3 -3.8 26.7 34 A 257 K O 57.7 -3.3 25.6
35 A 258 A N 56.7 -3.1 27.6 31 A 258 A CA 56.5 -1.6 27.5 28 A 258 A
CB 55.5 -1.2 28.5 27 A 258 A C 57.8 -0.9 27.6 28 A 258 A O 58.1
-0.1 26.8 26 A 259 R N 58.6 -1.3 28.6 30 A 259 R CA 59.8 -0.6 28.8
30 A 259 R CB 60.6 -1.2 30.0 32 A 259 R CG 61.6 -0.3 30.5 40 A 259
R CD 62.8 -1.0 31.3 46 A 259 R NE 62.9 -0.5 32.7 50 A 259 R CZ 62.2
-1.0 33.7 52 A 259 R NH1 61.2 -1.9 33.4 53 A 259 R NH2 62.4 -0.5
34.9 53 A 259 R C 60.7 -0.8 27.6 28 A 259 R O 61.1 0.2 27.0 28 A
260 N N 60.9 -2.0 27.1 28 A 260 N CA 61.7 -2.3 26.0 28 A 260 N CB
61.9 -3.8 25.8 30 A 260 N CG 62.8 -4.4 26.9 30 A 260 N OD1 63.8
-3.9 27.2 31 A 260 N ND2 62.3 -5.6 27.4 31 A 260 N C 61.2 -1.7 24.7
29 A 260 N O 61.9 -1.3 23.8 29 A 261 Y N 59.9 -1.5 24.6 28 A 261 Y
CA 59.3 -0.8 23.4 29 A 261 Y CB 57.8 -0.9 23.5 27 A 261 Y CG 57.1
-0.1 22.4 27 A 261 Y CD1 57.2 -0.6 21.0 26 A 261 Y CE1 56.6 0.2
20.0 27 A 261 Y CD2 56.5 1.1 22.6 28 A 261 Y CE2 55.9 1.8 21.6 24 A
261 Y CZ 55.9 1.4 20.3 25 A 261 Y OH 55.4 2.2 19.3 23 A 261 Y C
59.7 0.6 23.4 30 A 261 Y O 60.0 1.2 22.4 32 A 262 L N 59.7 1.3 24.6
30 A 262 L CA 60.1 2.7 24.7 30 A 262 L CB 59.9 3.2 26.1 28 A 262 L
CG 58.5 3.7 26.5 31 A 262 L CD1 58.5 4.2 27.9 31 A 262 L CD2 58.0
4.7 25.5 33 A 262 L C 61.6 2.9 24.3 31 A 262 L O 62.0 3.9 23.8 30 A
263 L N 62.4 1.9 24.7 34 A 263 L CA 63.8 1.9 24.4 36 A 263 L CB
64.6 0.8 25.2 35 A 263 L CG 64.9 1.1 26.7 39 A 263 L CD1 65.8 2.4
26.8 37 A 263 L CD2 63.7 1.2 27.5 39 A 263 L C 64.1 1.7 22.9 35 A
263 L O 65.1 2.1 22.4 36 A 264 S N 63.1 1.1 22.2 33 A 264 S CA 63.2
0.8 20.8 33 A 264 S CB 62.3 -0.3 20.4 32 A 264 S OG 61.0 0.3 19.9
32 A 264 S C 63.0 2.1 20.0 33 A 264 S O 63.6 2.3 18.9 31 A 265 L N
62.1 2.9 20.5 34 A 265 L CA 61.7 4.2 19.7 35 A 265 L CB 60.6 4.9
20.5 34 A 265 L CG 59.1 4.4 20.3 37 A 265 L CD1 59.1 2.9 20.1 36 A
265 L CD2 58.3 4.8 21.5 33 A 265 L C 62.9 5.1 19.5 35 A 265 L O
63.7 5.4 20.4 34 A 266 P N 63.0 5.7 18.3 36 A 266 P CD 62.1 5.5
17.2 35 A 266 P CA 64.1 6.6 18.0 36 A 266 P CB 63.9 6.8 16.5 36 A
266 P CG 62.4 6.7 16.3 37 A 266 P C 63.8 7.9 18.8 36 A 266 P O 62.6
8.4 18.9 35 A 267 H N 64.8 8.5 19.4 34 A 267 H CA 64.8 9.7 20.2 34
A 267 H CB 66.2 10.1 20.6 34 A 267 H CG 66.2 11.3 21.5 34 A 267 H
CD2 66.3 11.3 22.9 32 A 267 H ND1 66.2 12.6 21.1 33 A 267 H CE1
66.3 13.4 22.2 32 A 267 H NE2 66.4 12.6 23.3 33 A 267 H C 64.0 10.9
19.6 34 A 267 H O 64.0 11.1 18.4 34 A 268 K N 63.3 11.6 20.4 34 A
268 K CA 62.5 12.8 20.0 35 A 268 K CB 61.0 12.5 19.9 35 A 268 K CG
60.5 11.6 18.9 35 A 268 K CD 59.1 11.9 18.5 37 A 268 K CE 58.5 10.9
17.5 37 A 268 K NZ 57.9 9.7 18.2 41 A 268 K C 62.8 13.9 21.0 35 A
268 K O 62.9 13.6 22.2 34 A 269 N N 62.8 15.2 20.6 37 A 269 N CA
63.0 16.3 21.5 36 A 269 N CB 64.1 17.3 21.0 39 A 269 N CG 65.1 17.6
22.0 46 A 269 N OD1 64.8 18.1 23.2 45 A 269 N ND2 66.4 17.4 21.7 47
A 269 N C 61.7 17.0 21.9 33 A 269 N O 60.8 17.0 21.1 31 A 270 K N
61.7 17.6 23.1 33 A 270 K CA 60.5 18.2 23.6 33 A 270 K CB 60.6 18.5
25.1 34 A 270 K CG 59.4 19.2 25.7 37 A 270 K CD 59.6 19.6 27.2 36 A
270 K CE 58.4 20.3 27.7 38 A 270 K NZ 57.2 19.4 27.8 39 A 270 K C
60.2 19.6 22.9 33 A 270 K O 61.0 20.5 22.9 34 A 271 V N 59.0 19.7
22.2 33 A 271 V CA 58.6 20.9 21.6 33 A 271 V CB 57.5 20.6 20.5 34 A
271 V CG1 57.1 21.9 19.8 33 A 271 V CG2 58.0 19.6 19.5 34 A 271 V C
58.0 21.8 22.7 33 A 271 V O 57.1 21.5 23.3 35 A 272 P N 58.6 23.0
22.9 32 A 272 P CD 59.7 23.6 22.1 32 A 272 P CA 58.2 23.9 23.9 31 A
272 P CB 59.1 25.1 23.8 30 A 272 P CG 59.5 25.1 22.4 33 A 272 P C
56.7 24.3 23.8 30 A 272 P O 56.2 24.6 22.7 30 A 273 W N 56.0 24.4
24.9 30 A 273 W CA 54.6 24.8 25.0 30 A 273 W CB 54.1 24.8 26.4 26 A
273 W CG 54.2 23.5 27.1 24 A 273 W CD2 53.5 22.3 26.7 19 A 273 W
CE2 53.8 21.3 27.6 19 A 273 W CE3 52.6 22.0 25.6 18 A 273 W CD1
54.9 23.1 28.2 21 A 273 W NE1 54.7 21.8 28.5 18 A 273 W CZ2 53.3
20.0 27.5 19 A 273 W CZ3 52.1 20.7 25.5 17 A 273 W CH2 52.4 19.7
26.4 18 A 273 W C 54.5 26.2 24.3 31 A 273 W O 53.6 26.4 23.5 32 A
274 N N 55.3 27.2 24.7 31 A 274 N CA 55.2 28.5 24.2 35 A 274 N CB
56.0 29.6 25.0 36 A 274 N CG 57.5 29.4 24.8 39 A 274 N OD1 58.0
28.9 23.8 40 A 274 N ND2 58.2 29.9 25.7 39 A 274 N C 55.5 28.6 22.7
35 A 274 N O 55.4 29.7 22.1 35 A 275 R N 55.7 27.5 22.0 36 A 275 R
CA 55.9 27.5 20.6 37 A 275 R CB 57.1 26.6 20.2 42 A 275 R CG 57.3
26.4 18.7 45 A 275 R CD 58.5 25.6 18.3 47 A 275 R NE 59.7 26.3 18.1
52 A 275 R CZ 60.8 25.9 17.6 55 A 275 R NH1 60.9 24.6 17.2 57 A 275
R NH2 61.9 26.6 17.4 54 A 275 R C 54.7 26.9 19.9 36 A 275 R O 54.3
27.4 18.8 35 A 276 L N 54.0 26.0 20.5 34 A 276 L CA 52.7 25.4 20.0
32 A 276 L CB 52.4 24.1 20.6 32 A 276 L CG 53.4 22.9 20.6 34 A 276
L CD1 53.0 21.9 21.7 33 A 276 L CD2 53.4 22.3 19.2 32 A 276 L C
51.6 26.4 20.2 31 A 276 L O 50.6 26.5 19.4 32 A 277 F N 51.6 27.1
21.3 29 A 277 F CA 50.6 28.1 21.7 30 A 277 F CB 49.9 27.6 22.9 28 A
277 F CG 49.5 26.1 22.8 26 A 277 F CD1 48.4 25.7 22.0 26 A 277 F
CD2 50.1 25.2 23.6 23 A 277 F CE1 48.1 24.4 21.9 26 A 277 F CE2
49.7 23.8 23.5 24 A 277 F CZ 48.7 23.4 22.6 25 A 277 F C 51.2 29.4
22.0 31 A 277 F O 51.4 29.8 23.2 30 A 278 P N 51.6 30.2 21.0 32 A
278 P CD 51.6 29.9 19.5 32 A 278 P CA 52.3 31.5 21.2 34 A 278 P CB
52.8 31.9 19.8 33 A 278 P CG 52.8 30.6 19.0 32 A 278 P C 51.2 32.5
21.7 35 A 278 P O 51.6 33.5 22.3 35 A 279 N N 50.0 32.1 21.6 38 A
279 N CA 48.8 32.9 22.0 38 A 279 N CB 47.6 32.5 21.2 38 A 279 N CG
47.3 31.0 21.3 40 A 279 N OD1 48.1 30.1 20.9 30 A 279 N ND2 46.2
30.7 22.0 38 A 279 N C 48.5 32.8 23.5 38 A 279 N O 48.2 33.7 24.2
38 A 280 A N 48.5 31.5 23.9 36 A 280 A CA 48.2 31.2 25.3 31 A 280 A
CB 48.5 29.7 25.5 29 A 280 A C 48.7 32.0 26.5 32 A 280 A O 49.9
32.4 26.5 32 A 281 D N 47.9 32.1 27.5 31 A 281 D CA 48.2 32.8 28.7
31 A 281 D CB 47.0 32.9 29.6 33 A 281 D CG 47.3 33.5 30.9 35 A 281
D OD1 48.0 32.9 31.8 35 A 281 D OD2 46.7 34.6 31.2 41 A 281 D C
49.4 32.0 29.3 30 A
281 D O 49.3 30.8 29.3 29 A 282 S N 50.4 32.7 29.9 29 A 282 S CA
51.5 32.0 30.5 29 A 282 S CB 52.5 33.0 31.0 30 A 282 S OG 53.0 33.8
30.0 38 A 282 S C 51.2 31.0 31.6 27 A 282 S O 51.8 29.9 31.6 26 A
283 K N 50.3 31.4 32.5 25 A 283 K CA 49.9 30.5 33.6 24 A 283 K CB
49.0 31.3 34.5 25 A 283 K CG 49.7 32.4 35.2 29 A 283 K CD 48.7 33.3
36.0 30 A 283 K CE 49.5 34.4 36.8 32 A 283 K NZ 48.6 35.2 37.7 33 A
283 K C 49.1 29.3 33.0 24 A 283 K O 49.2 28.2 33.5 22 A 284 A N
48.3 29.5 32.0 21 A 284 A CA 47.6 28.5 31.3 23 A 284 A CB 46.7 29.0
30.2 22 A 284 A C 48.6 27.4 30.8 24 A 284 A O 48.3 26.2 30.9 26 A
285 L N 49.7 27.9 30.3 23 A 285 L CA 50.7 27.0 29.7 23 A 285 L CB
51.6 27.7 28.7 21 A 285 L CG 51.1 28.1 27.4 25 A 285 L CD1 52.2
28.5 26.4 25 A 285 L CD2 50.3 26.9 26.8 23 A 285 L C 51.5 26.3 30.8
21 A 285 L O 51.9 25.2 30.7 22 A 286 D N 51.6 27.0 32.0 19 A 286 D
CA 52.3 26.4 33.1 21 A 286 D CB 52.6 27.4 34.2 20 A 286 D CG 53.6
26.8 35.2 25 A 286 D OD1 54.7 26.4 34.9 29 A 286 D OD2 53.2 26.8
36.4 27 A 286 D C 51.5 25.2 33.6 22 A 286 D O 52.0 24.1 33.8 23 A
287 L N 50.2 25.5 33.8 20 A 287 L CA 49.3 24.4 34.3 21 A 287 L CB
47.9 25.0 34.6 21 A 287 L CG 46.8 24.1 35.1 21 A 287 L CD1 47.3
23.3 36.3 20 A 287 L CD2 45.6 25.0 35.4 20 A 287 L C 49.2 23.3 33.3
21 A 287 L O 49.2 22.1 33.6 23 A 288 L N 49.1 23.6 32.0 20 A 288 L
CA 49.0 22.6 30.9 20 A 288 L CB 49.1 23.3 29.6 19 A 288 L CG 49.1
22.3 28.4 18 A 288 L CD1 47.7 21.6 28.2 18 A 288 L CD2 49.4 23.0
27.1 16 A 288 L C 50.2 21.7 31.0 22 A 288 L O 50.0 20.4 30.9 23 A
289 D N 51.4 22.2 31.2 21 A 289 D CA 52.6 21.4 31.3 20 A 289 D CB
53.8 22.3 31.6 21 A 289 D CG 55.1 21.5 31.9 20 A 289 D OD1 55.5
20.7 31.0 23 A 289 D OD2 55.7 21.7 32.9 26 A 289 D C 52.5 20.4 32.4
21 A 289 D O 52.9 19.2 32.3 21 A 290 K N 52.0 20.8 33.6 22 A 290 K
CA 51.8 19.9 34.8 22 A 290 K CB 51.5 20.8 36.0 24 A 290 K CG 52.7
21.7 36.4 26 A 290 K CD 52.4 22.7 37.5 27 A 290 K CE 53.6 23.4 38.0
28 A 290 K NZ 54.3 24.1 36.9 30 A 290 K C 50.8 18.9 34.6 22 A 290 K
O 50.9 17.8 35.1 23 A 291 M N 49.7 19.2 33.8 20 A 291 M CA 48.7
18.2 33.6 21 A 291 M CB 47.4 18.9 33.1 21 A 291 M CG 46.9 20.0 34.0
24 A 291 M SD 45.3 20.5 33.5 26 A 291 M CE 44.4 19.8 34.8 26 A 291
M C 49.1 17.1 32.5 19 A 291 M O 48.8 16.0 32.6 17 A 292 L N 49.9
17.6 31.6 17 A 292 L CA 50.4 16.7 30.5 17 A 292 L CB 50.4 17.4 29.2
13 A 292 L CG 49.0 17.7 28.6 14 A 292 L CD1 49.0 18.2 27.2 11 A 292
L CD2 48.1 16.5 28.7 12 A 292 L C 51.8 16.2 30.8 16 A 292 L O 52.7
16.2 30.0 19 A 293 T N 52.1 15.8 32.1 16 A 293 T CA 53.4 15.3 32.5
19 A 293 T CB 53.6 15.6 34.0 20 A 293 T OG1 53.9 17.0 34.1 20 A 293
T CG2 54.9 14.8 34.5 16 A 293 T C 53.4 13.8 32.2 20 A 293 T O 52.4
13.1 32.6 19 A 294 F N 54.4 13.3 31.6 19 A 294 F CA 54.6 11.9 31.3
20 A 294 F CB 55.9 11.6 30.7 20 A 294 F CG 56.0 10.2 30.0 21 A 294
F CD1 55.6 10.1 28.7 22 A 294 F CD2 56.5 9.1 30.7 20 A 294 F CE1
55.7 8.8 28.0 23 A 294 F CE2 56.6 7.9 30.0 21 A 294 F CZ 56.2 7.7
28.7 19 A 294 F C 54.3 10.9 32.5 23 A 294 F O 53.4 10.1 32.5 25 A
295 N N 55.3 11.0 33.4 24 A 295 N CA 55.2 10.2 34.6 23 A 295 N CB
56.5 10.5 35.5 25 A 295 N CG 56.7 9.5 36.6 27 A 295 N OD1 55.7 9.1
37.2 28 A 295 N ND2 57.9 9.2 36.9 25 A 295 N C 54.0 10.6 35.5 26 A
295 N O 53.9 11.7 36.0 25 A 296 P N 53.0 9.7 35.6 25 A 296 P CD
53.0 8.3 35.0 23 A 296 P CA 51.8 10.0 36.3 25 A 296 P CB 51.0 8.7
36.1 24 A 296 P CG 52.0 7.7 35.9 25 A 296 P C 52.0 10.3 37.8 27 A
296 P O 51.2 11.0 38.4 28 A 297 H N 53.1 9.8 38.3 29 A 297 H CA
53.5 10.1 39.7 33 A 297 H CB 54.7 9.2 40.1 38 A 297 H CG 54.4 7.7
40.0 44 A 297 H CD2 53.2 7.0 40.1 45 A 297 H ND1 55.4 6.8 39.7 46 A
297 H CE1 54.8 5.6 39.7 49 A 297 H NE2 53.5 5.7 39.9 48 A 297 H C
53.9 11.6 39.9 31 A 297 H O 53.6 12.1 41.0 31 A 298 K N 54.4 12.1
38.9 30 A 298 K CA 54.9 13.5 38.9 29 A 298 K CB 56.1 13.7 38.0 30 A
298 K CG 57.4 13.1 38.5 37 A 298 K CD 57.8 13.8 39.8 43 A 298 K CE
59.1 13.2 40.3 46 A 298 K NZ 59.5 13.9 41.6 47 A 298 K C 53.7 14.4
38.4 27 A 298 K O 53.8 15.7 38.5 28 A 299 R N 52.7 13.8 37.9 25 A
299 R CA 51.6 14.6 37.4 22 A 299 R CB 50.7 13.7 36.5 20 A 299 R CG
49.7 14.4 35.6 22 A 299 R CD 49.6 13.8 34.3 20 A 299 R NE 48.8 12.6
34.3 21 A 299 R CZ 49.2 11.4 33.8 22 A 299 R NH1 50.4 11.3 33.3 17
A 299 R NH2 48.3 10.4 33.8 23 A 299 R C 50.8 15.3 38.5 21 A 299 R O
50.5 14.7 39.5 20 A 300 I N 50.4 16.5 38.2 20 A 300 I CA 49.7 17.3
39.2 18 A 300 I CB 49.5 18.8 38.7 19 A 300 I CG2 48.4 18.8 37.6 20
A 300 I CG1 49.2 19.8 39.8 21 A 300 I CD1 49.1 21.2 39.4 21 A 300 I
C 48.3 16.7 39.5 16 A 300 I O 47.6 16.2 38.6 18 A 301 E N 47.9 16.8
40.7 16 A 301 E CA 46.6 16.2 41.1 15 A 301 E CB 46.7 15.6 42.5 18 A
301 E CG 47.7 14.4 42.6 24 A 301 E CD 47.8 13.8 43.9 30 A 301 E OE1
48.2 14.5 44.9 29 A 301 E OE2 47.5 12.6 44.1 32 A 301 E C 45.5 17.3
41.0 16 A 301 E O 45.8 18.5 40.8 13 A 302 V N 44.2 16.9 41.2 14 A
302 V CA 43.1 17.8 41.1 15 A 302 V CB 41.8 17.1 41.0 15 A 302 V CG1
41.4 16.4 42.3 11 A 302 V CG2 40.7 18.0 40.5 14 A 302 V C 43.0 19.0
42.0 15 A 302 V O 42.7 20.1 41.6 16 A 303 E N 43.4 18.8 43.3 17 A
303 E CA 43.4 19.9 44.3 19 A 303 E CB 43.7 19.4 45.7 22 A 303 E CG
43.3 18.0 46.0 33 A 303 E CD 44.2 16.9 45.3 35 A 303 E OE1 45.5
17.0 45.6 35 A 303 E OE2 43.7 16.1 44.6 34 A 303 E C 44.4 21.0 43.9
20 A 303 E O 44.2 22.2 43.9 21 A 304 Q N 45.6 20.5 43.6 20 A 304 Q
CA 46.8 21.3 43.2 20 A 304 Q CB 48.0 20.4 43.1 21 A 304 Q CG 48.3
19.7 44.4 25 A 304 Q CD 49.1 18.4 44.3 35 A 304 Q OE1 49.3 17.6
45.2 39 A 304 Q NE2 49.5 18.0 43.0 32 A 304 Q C 46.5 22.0 41.9 19 A
304 Q O 47.0 23.1 41.7 19 A 305 A N 45.8 21.4 40.9 17 A 305 A CA
45.5 22.0 39.7 17 A 305 A CB 45.0 21.0 38.7 12 A 305 A C 44.6 23.1
39.9 18 A 305 A O 44.7 24.2 39.4 20 A 306 L N 43.6 22.9 40.8 16 A
306 L CA 42.6 23.9 41.1 18 A 306 L CB 41.5 23.4 42.0 18 A 306 L CG
40.3 22.7 41.3 18 A 306 L CD1 39.6 21.8 42.3 19 A 306 L CD2 39.3
23.7 40.7 17 A 306 L C 43.4 25.1 41.8 16 A 306 L O 43.0 26.2 41.6
16 A 307 A N 44.4 24.7 42.6 17 A 307 A CA 45.2 25.7 43.3 17 A 307 A
CB 45.9 25.0 44.5 11 A 307 A C 46.2 26.4 42.5 17 A 307 A O 47.0
27.2 43.0 18 A 308 H N 46.3 26.1 41.2 19 A 308 H CA 47.2 26.8 40.3
21 A 308 H CB 47.3 26.0 39.0 20 A 308 H CG 48.4 26.4 38.1 23 A 308
H CD2 49.7 26.0 38.0 21 A 308 H ND1 48.3 27.5 37.3 25 A 308 H CE1
49.5 27.7 36.7 22 A 308 H NE2 50.3 26.8 37.1 23 A 308 H C 46.9 28.2
40.0 22 A 308 H O 45.7 28.6 39.9 21 A 309 P N 48.0 29.1 39.9 24 A
309 P CD 49.4 28.8 40.2 22 A 309 P CA 47.8 30.5 39.7 24 A 309 P CB
49.2 31.0 39.4 23 A 309 P CG 50.0 30.1 40.4 23 A 309 P C 46.8 30.8
38.6 24 A 309 P O 46.1 31.9 38.6 24 A 310 Y N 46.7 30.0 37.6 24 A
310 Y CA 45.8 30.2 36.4 24 A 310 Y CB 46.1 29.2 35.3 21 A 310 Y CG
45.2 29.4 34.1 21 A 310 Y CD1 45.2 30.7 33.5 19 A 310 Y CE1 44.4
30.9 32.3 20 A 310 Y CD2 44.4 28.4 33.6 21 A 310 Y CE2 43.5 28.7
32.5 23 A 310 Y CZ 43.6 29.9 31.9 23 A 310 Y OH 42.8 30.1 30.8 23 A
310 Y C 44.3 30.2 36.8 23 A 310 Y O 43.5 30.8 36.1 25 A 311 L N
44.0 29.6 37.9 21 A 311 L CA 42.6 29.6 38.4 21 A 311 L CB 42.1 28.1
38.6 18 A 311 L CG 42.3 27.2 37.3 19 A 311 L CD1 42.1 25.7 37.7 15
A 311 L CD2 41.2 27.6 36.3 20 A 311 L C 42.3 30.3 39.6 21 A 311 L O
41.3 30.1 40.3 17 A 312 E N 43.2 31.3 40.0 22 A 312 E CA 43.1 32.0
41.2 26 A 312 E CB 44.3 32.9 41.4 31 A 312 E CG 44.5 34.0 40.3 39 A
312 E CD 45.9 34.6 40.3 44 A
312 E OE1 46.4 35.0 41.4 47 A 312 E OE2 46.5 34.8 39.2 44 A 312 E C
41.8 32.9 41.4 25 A 312 E O 41.4 33.1 42.5 25 A 313 Q N 41.2 33.3
40.3 25 A 313 Q CA 40.0 34.1 40.4 27 A 313 Q CB 39.8 34.9 39.2 27 A
313 Q CG 39.3 34.1 38.0 34 A 313 Q CD 39.2 34.9 36.7 40 A 313 Q OE1
38.3 35.8 36.6 42 A 313 Q NE2 40.1 34.7 35.7 36 A 313 Q C 38.8 33.2
40.7 25 A 313 Q O 37.7 33.8 41.1 24 A 314 Y N 38.9 31.9 40.6 24 A
314 Y CA 37.8 31.0 40.9 24 A 314 Y CB 37.5 30.1 39.7 23 A 314 Y CG
37.0 30.9 38.5 23 A 314 Y CD1 35.7 31.6 38.6 22 A 314 Y CE1 35.2
32.3 37.5 22 A 314 Y CD2 37.7 31.1 37.3 21 A 314 Y CE2 37.2 31.8
36.3 24 A 314 Y CZ 36.0 32.5 36.4 24 A 314 Y OH 35.5 33.2 35.4 27 A
314 Y C 38.0 30.0 42.1 24 A 314 Y O 37.1 29.7 42.8 27 A 315 Y N
39.3 29.5 42.2 22 A 315 Y CA 39.6 28.5 43.3 19 A 315 Y CB 41.1 28.3
43.3 18 A 315 Y CG 41.5 27.3 44.4 19 A 315 Y CD1 40.8 26.1 44.5 18
A 315 Y CE1 41.2 25.1 45.5 17 A 315 Y CD2 42.6 27.5 45.2 19 A 315 Y
CE2 43.0 26.5 46.1 18 A 315 Y CZ 42.3 25.3 46.3 20 A 315 Y OH 42.7
24.4 47.2 19 A 315 Y C 39.1 28.9 44.7 18 A 315 Y O 39.5 30.0 45.2
18 A 316 D N 38.3 28.1 45.2 19 A 316 D CA 37.7 28.4 46.6 19 A 316 D
CB 36.7 29.5 46.5 18 A 316 D CG 35.8 29.6 47.7 21 A 316 D OD1 36.3
29.4 48.8 25 A 316 D OD2 34.6 29.9 47.6 19 A 316 D C 37.1 27.1 47.2
19 A 316 D O 35.9 26.8 46.8 19 A 317 P N 37.8 26.4 48.0 19 A 317 P
CD 39.3 26.5 48.1 19 A 317 P CA 37.3 25.2 48.7 19 A 317 P CB 38.4
24.8 49.7 18 A 317 P CG 39.6 25.8 49.4 20 A 317 P C 35.9 25.3 49.4
19 A 317 P O 35.3 24.3 49.6 21 A 318 S N 35.5 26.6 49.8 17 A 318 S
CA 34.2 26.7 50.5 15 A 318 S CB 34.2 28.0 51.3 14 A 318 S OG 34.2
29.2 50.4 12 A 318 S C 33.0 26.6 49.5 15 A 318 S O 31.9 26.7 49.9
15 A 319 D N 33.3 26.5 48.2 14 A 319 D CA 32.3 26.3 47.2 16 A 319 D
CB 32.2 27.7 46.4 18 A 319 D CG 30.9 27.7 45.5 20 A 319 D OD1 29.9
27.1 45.9 20 A 319 D OD2 31.0 28.4 44.5 21 A 319 D C 32.7 25.2 46.2
17 A 319 D O 32.4 25.3 45.0 19 A 320 E N 33.4 24.2 46.8 15 A 320 E
CA 33.9 23.1 46.0 18 A 320 E CB 35.4 23.2 45.8 15 A 320 E CG 35.8
24.1 44.6 18 A 320 E CD 37.2 24.6 44.6 18 A 320 E OE1 38.1 23.9
45.3 17 A 320 E OE2 37.5 25.6 44.0 23 A 320 E C 33.6 21.8 46.7 18 A
320 E O 34.4 21.2 47.3 18 A 321 P N 32.3 21.4 46.7 20 A 321 P CD
31.2 22.1 46.0 18 A 321 P CA 31.9 20.2 47.4 20 A 321 P CB 30.4 20.1
47.0 18 A 321 P CG 30.2 20.9 45.8 21 A 321 P C 32.6 18.9 47.1 21 A
321 P O 33.0 18.7 45.9 20 A 322 I N 32.9 18.1 48.1 22 A 322 I CA
33.5 16.8 47.9 25 A 322 I CB 34.8 16.7 48.9 27 A 322 I CG2 35.9
17.6 48.3 24 A 322 I CG1 34.5 17.2 50.3 27 A 322 I CD1 33.6 16.2
51.0 32 A 322 I C 32.5 15.8 48.3 27 A 322 I O 31.4 16.1 48.8 26 A
323 A N 32.7 14.5 48.0 26 A 323 A CA 31.8 13.4 48.3 27 A 323 A CB
32.2 12.2 47.5 21 A 323 A C 31.7 13.1 49.8 29 A 323 A O 32.7 13.0
50.4 31 A 324 E N 30.5 13.0 50.3 33 A 324 E CA 30.4 12.7 51.7 37 A
324 E CB 29.1 13.3 52.3 41 A 324 E CG 27.8 12.8 51.7 44 A 324 E CD
26.6 13.5 52.3 47 A 324 E OE1 26.4 13.4 53.5 46 A 324 E OE2 25.9
14.1 51.5 50 A 324 E C 30.5 11.2 52.1 36 A 324 E O 31.0 10.9 53.1
34 A 325 A N 30.0 10.4 51.1 35 A 325 A CA 30.1 8.9 51.3 35 A 325 A
CB 28.7 8.3 51.5 34 A 325 A C 30.9 8.3 50.1 33 A 325 A O 30.3 7.7
49.3 31 A 326 P N 32.2 8.5 50.1 32 A 326 P CD 33.0 9.2 51.1 33 A
326 P CA 33.1 7.9 49.0 33 A 326 P CB 34.5 8.2 49.6 33 A 326 P CG
34.3 9.5 50.3 33 A 326 P C 32.9 6.4 48.8 34 A 326 P O 32.8 5.7 49.8
34 A 327 F N 32.8 6.0 47.6 33 A 327 F CA 32.6 4.6 47.3 33 A 327 F
CB 32.4 4.4 45.8 33 A 327 F CG 31.1 4.9 45.2 34 A 327 F CD1 30.0
4.2 45.4 35 A 327 F CD2 31.1 6.1 44.4 34 A 327 F CE1 28.8 4.7 44.9
35 A 327 F CE2 29.9 6.5 43.9 33 A 327 F CZ 28.7 5.8 44.1 37 A 327 F
C 33.7 3.7 47.8 32 A 327 F O 34.8 4.2 47.8 30 A 328 K N 33.3 2.5
48.3 34 A 328 K CA 34.3 1.6 48.8 37 A 328 K CB 33.9 1.3 50.3 39 A
328 K CG 34.2 2.4 51.3 41 A 328 K CD 35.7 2.7 51.3 43 A 328 K CE
36.1 3.8 52.1 45 A 328 K NZ 37.6 4.1 52.0 44 A 328 K C 34.5 0.4
48.0 38 A 328 K O 33.6 -0.0 47.2 34 A 329 F N 35.6 -0.3 48.2 41 A
329 F CA 36.0 -1.5 47.5 44 A 329 F CB 37.2 -2.2 48.2 44 A 329 F CG
37.7 -3.4 47.5 47 A 329 F CD1 38.5 -3.3 46.4 47 A 329 F CD2 37.4
-4.7 48.0 48 A 329 F CE1 39.0 -4.4 45.8 49 A 329 F CE2 37.8 -5.8
47.4 49 A 329 F CZ 38.6 -5.7 46.2 50 A 329 F C 34.9 -2.5 47.3 46 A
329 F O 34.7 -3.1 46.2 46 A 330 D N 34.2 -2.8 48.4 48 A 330 D CA
33.1 -3.8 48.4 51 A 330 D CB 32.4 -3.8 49.8 54 A 330 D CG 32.2 -2.4
50.3 58 A 330 D OD1 31.6 -1.5 49.7 59 A 330 D OD2 32.8 -2.1 51.5 58
A 330 D C 32.1 -3.7 47.3 50 A 330 D O 31.4 -4.7 47.0 51 A 331 M N
31.9 -2.5 46.7 48 A 331 M CA 31.0 -2.3 45.6 46 A 331 M CB 30.1 -1.1
45.8 47 A 331 M CG 30.9 0.2 45.7 49 A 331 M SD 31.3 0.7 44.0 51 A
331 M CE 29.7 1.3 43.5 53 A 331 M C 31.6 -2.4 44.2 45 A 331 M O
31.0 -2.1 43.2 45 A 332 E N 32.9 -2.7 44.2 43 A 332 E CA 33.7 -2.8
42.9 42 A 332 E CB 35.2 -2.6 43.2 40 A 332 E CG 35.5 -1.1 43.4 38 A
332 E CD 37.0 -1.0 43.8 38 A 332 E OE1 37.8 -1.6 43.1 36 A 332 E
OE2 37.3 -0.2 44.7 35 A 332 E C 33.5 -4.2 42.3 44 A 332 E O 33.6
-4.4 41.1 44 A 333 L N 33.3 -5.2 43.2 46 A 333 L CA 33.1 -6.5 42.8
47 A 333 L CB 33.1 -7.5 44.0 50 A 333 L CG 34.4 -7.5 44.8 53 A 333
L CD1 34.9 -6.2 45.2 53 A 333 L CD2 34.2 -8.4 46.0 54 A 333 L C
31.8 -6.8 41.9 45 A 333 L O 30.9 -7.3 42.5 45 A 334 D N 31.9 -6.4
40.7 44 A 334 D CA 30.7 -6.6 39.8 43 A 334 D CB 30.2 -5.3 39.3 43 A
334 D CG 31.2 -4.5 38.6 43 A 334 D OD1 32.1 -5.0 37.9 40 A 334 D
OD2 31.2 -3.2 38.6 42 A 334 D C 31.0 -7.6 38.6 43 A 334 D O 30.2
-7.5 37.6 40 A 335 D N 32.0 -8.4 38.6 45 A 335 D CA 32.3 -9.3 37.5
48 A 335 D CB 33.7 -9.8 37.6 50 A 335 D CG 34.6 -8.9 38.4 54 A 335
D OD1 35.1 -7.8 37.9 57 A 335 D OD2 34.8 -9.2 39.6 55 A 335 D C
31.4 -10.5 37.8 47 A 335 D O 31.8 -11.6 38.1 47 A 336 L N 30.1
-10.2 37.7 47 A 336 L CA 29.0 -11.2 37.9 48 A 336 L CB 28.0 -10.7
38.9 48 A 336 L CG 28.6 -10.1 40.2 49 A 336 L CD1 27.5 -9.4 41.0 49
A 336 L CD2 29.3 -11.1 41.1 49 A 336 L C 28.3 -11.5 36.6 48 A 336 L
O 28.3 -10.7 35.6 47 A 337 P N 27.5 -12.6 36.5 49 A 337 P CD 27.3
-13.6 37.6 49 A 337 P CA 26.7 -13.0 35.3 49 A 337 P CB 25.9 -14.2
35.8 48 A 337 P CG 26.8 -14.8 36.8 48 A 337 P C 25.8 -11.8 34.9 48
A 337 P O 25.4 -11.0 35.8 48 A 338 K N 25.5 -11.7 33.7 49 A 338 K
CA 24.7 -10.6 33.2 52 A 338 K CB 24.7 -10.5 31.7 51 A 338 K CG 24.1
-11.7 30.9 53 A 338 K CD 24.6 -11.8 29.5 53 A 338 K CE 23.6 -12.6
28.6 54 A 338 K NZ 23.3 -13.9 29.2 53 A 338 K C 23.3 -10.8 33.7 53
A 338 K O 22.4 -10.0 33.5 54 A 339 E N 23.1 -11.9 34.5 53 A 339 E
CA 21.8 -12.2 35.0 53 A 339 E CB 21.6 -13.7 35.2 53 A 339 E CG 21.3
-14.5 34.0 54 A 339 E CD 22.4 -14.4 33.0 56 A 339 E OE1 23.6 -14.7
33.3 57 A 339 E OE2 22.2 -14.1 31.8 57 A 339 E C 21.7 -11.5 36.4 52
A 339 E O 20.7 -10.9 36.7 51 A 340 K N 22.7 -11.7 37.2 51 A 340 K
CA 22.8 -11.1 38.5 51 A 340 K CB 24.1 -11.5 39.2 53 A 340 K CG 23.9
-12.4 40.4 56 A 340 K CD 23.4 -11.7 41.6 58 A 340 K CE 22.8 -12.6
42.6 61 A 340 K NZ 21.6 -13.4 42.1 61 A 340 K C 22.8 -9.6 38.3 52 A
340 K O 22.1 -8.8 39.0 52 A 341 L N 23.6 -9.1 37.3 50 A 341 L CA
23.7 -7.7 37.0 49 A 341 L CB 24.7 -7.5 35.9 49 A 341 L CG 26.1 -7.8
36.3 48 A 341 L CD1 27.1 -7.7 35.2 48 A 341 L CD2 26.6 -6.9 37.4 47
A 341 L C 22.3 -7.1 36.6 49 A 341 L O 22.1 -5.9 36.9 49 A 342 K N
21.5 -7.9 35.9 50 A 342 K CA 20.2 -7.4 35.5 50 A 342 K CB 19.5 -8.3
34.5 50 A 342 K CG 18.1 -7.8 34.0 51 A 342 K CD 17.5 -8.7 32.9 49
A
342 K CE 16.2 -8.1 32.5 49 A 342 K NZ 15.6 -8.7 31.3 48 A 342 K C
19.3 -7.2 36.7 49 A 342 K O 18.5 -6.3 36.8 49 A 343 E N 19.5 -8.2
37.6 49 A 343 E CA 18.7 -8.1 38.9 50 A 343 E CB 19.0 -9.3 39.7 52 A
343 E CG 18.4 -10.6 39.2 56 A 343 E CD 19.0 -11.8 39.9 58 A 343 E
OE1 18.9 -11.9 41.1 59 A 343 E OE2 19.5 -12.7 39.2 59 A 343 E C
19.0 -6.8 39.6 49 A 343 E O 18.2 -6.1 40.0 50 A 344 L N 20.3 -6.6
39.8 47 A 344 L CA 20.9 -5.4 40.4 43 A 344 L CB 22.4 -5.4 40.4 41 A
344 L CG 23.1 -6.6 41.2 42 A 344 L CD1 24.5 -6.7 40.8 40 A 344 L
CD2 22.9 -6.4 42.7 39 A 344 L C 20.3 -4.1 39.8 42 A 344 L O 19.9
-3.2 40.5 42 A 345 I N 20.3 -4.1 38.5 42 A 345 I CA 19.8 -2.9 37.8
41 A 345 I CB 20.0 -3.0 36.2 40 A 345 I CG2 19.3 -1.9 35.5 40 A 345
I CG1 21.5 -3.0 35.9 40 A 345 I CD1 21.8 -3.1 34.4 39 A 345 I C
18.4 -2.7 38.1 44 A 345 I O 17.9 -1.6 38.4 43 A 346 F N 17.6 -3.8
38.0 47 A 346 F CA 16.2 -3.7 38.3 49 A 346 F CB 15.6 -5.2 38.3 50 A
346 F CG 14.1 -5.2 38.5 52 A 346 F CD1 13.2 -4.9 37.4 52 A 346 F
CD2 13.6 -5.5 39.7 52 A 346 F CE1 11.8 -4.9 37.6 53 A 346 F CE2
12.2 -5.5 39.9 52 A 346 F CZ 11.3 -5.2 38.9 52 A 346 F C 15.9 -3.1
39.6 48 A 346 F O 15.1 -2.2 39.8 46 A 347 E N 16.7 -3.5 40.6 50 A
347 E CA 16.7 -3.0 41.9 53 A 347 E CB 17.7 -3.8 42.8 54 A 347 E CG
17.6 -3.6 44.3 58 A 347 E CD 18.6 -4.5 45.0 60 A 347 E OE1 18.6
-5.8 44.8 61 A 347 E OE2 19.5 -4.0 45.7 62 A 347 E C 17.0 -1.5 42.0
53 A 347 E O 16.2 -0.7 42.5 54 A 348 E N 18.2 -1.2 41.5 52 A 348 E
CA 18.7 0.2 41.6 50 A 348 E CB 20.0 0.3 40.8 48 A 348 E CG 21.2
-0.2 41.6 46 A 348 E CD 21.6 0.7 42.9 45 A 348 E OE1 21.8 1.9 42.7
42 A 348 E OE2 21.6 0.1 44.0 46 A 348 E C 17.7 1.2 40.9 51 A 348 E
O 17.7 2.4 41.2 52 A 349 T N 16.8 0.7 40.0 50 A 349 T CA 15.9 1.6
39.4 50 A 349 T CB 15.7 1.2 37.9 48 A 349 T OG1 15.2 -0.1 37.7 46 A
349 T CG2 17.0 1.3 37.2 49 A 349 T C 14.5 1.5 40.0 50 A 349 T O
13.6 2.3 39.7 50 A 350 A N 14.3 0.6 41.0 51 A 350 A CA 13.0 0.4
41.7 52 A 350 A CB 13.2 -0.6 42.8 52 A 350 A C 12.5 1.7 42.2 54 A
350 A O 11.3 2.1 42.0 53 A 351 R N 13.3 2.4 43.0 56 A 351 R CA 12.9
3.7 43.6 59 A 351 R CB 14.2 4.5 44.1 60 A 351 R CG 14.9 5.2 43.0 61
A 351 R CD 15.5 6.5 43.5 62 A 351 R NE 16.8 6.4 44.0 62 A 351 R CZ
17.5 7.4 44.5 62 A 351 R NH1 16.9 8.6 44.6 62 A 351 R NH2 18.8 7.3
44.9 61 A 351 R C 12.1 4.6 42.7 60 A 351 R O 11.2 5.3 43.1 60 A 352
F N 12.5 4.6 41.4 61 A 352 F CA 11.8 5.4 40.4 63 A 352 F CB 12.7
5.8 39.3 62 A 352 F CG 13.9 6.6 39.6 62 A 352 F CD1 13.7 8.0 39.9
61 A 352 F CD2 15.1 6.1 39.8 61 A 352 F CE1 14.7 8.8 40.2 61 A 352
F CE2 16.2 6.9 40.2 61 A 352 F CZ 16.0 8.3 40.4 60 A 352 F C 10.5
4.9 39.9 64 A 352 F O 9.8 5.5 39.1 64 A 353 Q N 10.1 3.7 40.3 66 A
353 Q CA 8.9 3.0 39.8 70 A 353 Q CB 8.8 1.6 40.3 70 A 353 Q CG 9.6
0.6 39.4 68 A 353 Q CD 9.0 0.5 38.0 69 A 353 Q OE1 9.1 1.4 37.3 69
A 353 Q NE2 8.4 -0.7 37.7 69 A 353 Q C 7.7 3.8 40.4 73 A 353 Q O
7.7 4.3 41.5 73 A 354 P N 6.6 3.9 39.6 75 A 354 P CD 6.5 3.3 38.2
76 A 354 P CA 5.4 4.6 40.0 77 A 354 P CB 4.4 4.1 38.9 77 A 354 P CG
5.2 4.0 37.7 76 A 354 P C 4.9 4.3 41.4 80 A 354 P O 4.8 3.1 41.8 80
A 355 G N 4.6 5.4 42.1 83 A 355 G CA 4.1 5.2 43.5 88 A 355 G C 5.0
4.4 44.4 91 A 355 G O 4.5 3.9 45.5 91 A
Example 20
Ah.sub.6-ERK2 [Di-Thiophosphorylated] Structure Determination
[0107] The crystal structure was solved using molecular replacement
using the search models 2ERK from the PDB. Refinement was done
using the program CNX.
TABLE-US-00013 Theoretical number of reflections 21186 Resolution
Limits 30.0-2.35 .ANG. Number of unobserved reflections 100 (0.5%)
Number of reflections in working set 19999 (94.4%) Number of
reflections in test set 1087 (5.1%) Number of protein residues 350
Number of solvent atoms 0 R-factor 0.25.9 R-free 0.281 RMSD bond
length 0.0071 .ANG. RMSD bond angles 1.34
Example 21
Preparation of Ah.sub.6-ERK2 [Un-Phosphorylated] Form 1-Olomoucine
Complex by Soaking and Crystallographic Analysis
[0108] To a drop of Ah.sub.6-ERK2 [un-phosphorylated] form 1
crystals as described in example 5 was added 0.1 ul of 100 mM
olomoucine DMSO solution. The drop was subsequently incubated at
22.degree. C. for 24 hours. Prior to data collection, a soaked
crystal was washed with the reservoir solution of the
crystallization setup and transferred into the same solution with
20% glycerol added. The crystals were then flash-cooled in a
nitrogen stream at 95 K or in liquid nitrogen. X-ray diffraction
was collected using a Rigaku generator equipped with a Raxis 4
detector. Data were integrated and scaled using the HKL
package.
Data Collection Statistics:
TABLE-US-00014 [0109] Resolution 30.0-2.00 .ANG. No. of collected
reflections 405433 No. of unique reflections (F >= 0) 50033
R-sym 8.6% Percent of theoretical (l/s >= 1) 94.2% Unit Cell a =
70.622 .ANG., b = 92.154 .ANG., c = 63.103 .ANG., .alpha. = .beta.
= .gamma. = 90.degree. Space Group P2.sub.12.sub.12 (Number 18)
Asymmetric unit 1 molecule
TABLE-US-00015 TABLE 4 Structural Coordinates of Ah.sub.6-ERK2
[non-phosphorlylated] (form 1)-olomoucine complex Crystals The
following table contains one line for each atom in one ERK2 kinase
monomer. The columns are: 1) residue number, 2) l-letter amino acid
code, 3) atom name, 4) x-coordinate, 5) y-coordinate, 6)
z-coordinate, 7) B-factor, 8) Chain ID. (Amino Acid Code X and Z
are SO4 and the olomoucine). The coordinates are arranged in two
side-by-side columns. 6 A CB 39.9 17.3 -21.9 77 A 6 A C 40.2 16.0
-19.8 78 A 6 A O 40.5 16.5 -18.7 78 A 6 A N 41.2 15.2 -21.9 77 A 6
A CA 40.8 16.4 -21.1 77 A 7 A N 39.2 15.1 -19.8 78 A 7 A CA 38.5
14.6 -18.6 78 A 7 A CB 39.2 13.4 -18.0 77 A 7 A C 38.3 15.7 -17.6
77 A 7 A O 37.6 16.8 -17.9 77 A 8 G N 38.8 15.5 -16.4 77 A 8 G CA
38.7 16.5 -15.4 76 A 8 G C 39.4 16.1 -14.1 75 A 8 G O 39.8 14.9
-14.0 75 A 9 P N 39.5 16.9 -13.1 75 A 9 P CD 38.9 18.3 -13.0 74 A 9
P CA 40.1 16.6 -11.8 74 A 9 P CB 40.1 17.9 -11.0 74 A 9 P CG 38.8
18.5 -11.5 74 A 9 P C 39.4 15.5 -11.0 74 A 9 P O 38.1 15.4 -11.1 74
A 10 E N 40.1 14.6 -10.4 73 A 10 E CA 39.5 13.5 -9.6 73 A 10 E CB
40.6 12.6 -9.1 73 A 10 E CG 41.3 11.7 -10.2 75 A 10 E CD 42.2 10.7
-9.6 76 A 10 E OE1 41.7 9.8 -8.8 75 A 10 E OE2 43.4 10.7 -9.8 76 A
10 E C 38.7 14.0 -8.5 72 A 10 E O 39.1 15.0 -7.8 72 A 11 M N 37.6
13.4 -8.2 71 A 11 M CA 36.8 13.8 -7.0 71 A 11 M CB 35.3 14.0 -7.5
71 A 11 M CG 35.2 15.1 -8.6 70 A 11 M SD 35.5 16.7 -8.1 70 A 11 M
CE 33.9 17.2 -7.5 69 A 11 M C 36.8 12.7 -6.0 71 A 11 M O 37.0 11.5
-6.3 71 A 12 V N 36.5 13.1 -4.7 70 A 12 V CA 36.5 12.2 -3.6 70 A 12
V CB 37.8 12.1 -2.9 70 A 12 V CG1 37.7 11.2 -1.7 71 A 12 V CG2 38.9
11.5 -3.9 70 A 12 V C 35.4 12.7 -2.6 71 A 12 V O 35.7 13.7 -1.9 72
A 13 R N 34.3 12.0 -2.6 71 A 13 R CA 33.2 12.4 -1.7 71 A 13 R CB
33.7 12.4 -0.2 72 A 13 R CG 33.7 11.0 0.4 74 A 13 R CD 34.7 10.1
-0.2 75 A 13 R NE 34.7 8.8 0.4 76 A 13 R CZ 35.5 7.8 0.1 76 A 13 R
NH1 36.4 7.9 -0.9 75 A 13 R NH2 35.5 6.6 0.7 75 A 13 R C 32.7 13.8
-2.0 71 A 13 R O 32.5 14.7 -1.1 71 A 14 G N 32.5 14.0 -3.3 70 A 14
G CA 31.9 15.3 -3.8 70 A 14 G C 33.0 16.4 -3.9 70 A 14 G O 32.7
17.4 -4.6 70 A 15 Q N 34.1 16.3 -3.2 69 A 15 Q CA 35.1 17.4 -3.2 67
A 15 Q CB 35.7 17.6 -1.8 69 A 15 Q CG 34.7 17.9 -0.8 71 A 15 Q CD
35.3 18.3 0.5 73 A 15 Q OE1 36.2 17.6 1.1 73 A 15 Q NE2 34.9 19.4
1.1 73 A 15 Q C 36.2 17.0 -4.2 65 A 15 Q O 36.4 15.9 -4.6 65 A 16 V
N 36.9 18.1 -4.7 63 A 16 V CA 38.0 17.9 -5.7 61 A 16 V CB 38.2 19.2
-6.5 62 A 16 V CG1 39.3 19.0 -7.5 61 A 16 V CG2 36.9 19.7 -7.1 61 A
16 V C 39.3 17.6 -5.0 61 A 16 V O 39.7 18.3 -4.1 60 A 17 F N 39.8
16.4 -5.4 60 A 17 F CA 41.1 16.0 -4.8 59 A 17 F CB 40.9 14.8 -3.9
57 A 17 F CG 42.0 14.6 -2.9 55 A 17 F CD1 42.0 15.3 -1.7 53 A 17 F
CD2 43.1 13.8 -3.2 55 A 17 F CE1 43.0 15.1 -0.8 54 A 17 F CE2 44.2
13.7 -2.3 55 A 17 F CZ 44.1 14.3 -1.0 53 A 17 F C 42.0 15.6 -6.0 59
A 17 F O 42.2 14.5 -6.3 59 A 18 D N 42.5 16.7 -6.7 59 A 18 D CA
43.3 16.5 -7.9 60 A 18 D CB 43.0 17.5 -8.9 61 A 18 D CG 43.5 17.2
-10.3 61 A 18 D OD1 43.3 16.1 -10.7 61 A 18 D OD2 44.2 18.1 -10.9
61 A 18 D C 44.8 16.5 -7.6 60 A 18 D O 45.4 17.5 -7.6 60 A 19 V N
45.3 15.3 -7.3 61 A 19 V CA 46.8 15.2 -6.9 62 A 19 V CB 47.0 14.4
-5.7 61 A 19 V CG1 46.3 15.0 -4.5 61 A 19 V CG2 46.5 12.9 -5.9 61 A
19 V C 47.5 14.5 -8.1 63 A 19 V O 48.7 14.4 -8.1 63 A 20 G N 46.7
14.0 -9.0 64 A 20 G CA 47.2 13.3 -10.2 65 A 20 G C 48.4 14.0 -10.8
65 A 20 G O 48.6 15.2 -10.5 66 A 21 P N 49.2 13.3 -11.6 66 A 21 P
CD 50.1 13.9 -12.5 66 A 21 P CA 49.0 11.9 -11.9 66 A 21 P CB 49.3
11.8 -13.4 66 A 21 P CG 50.5 12.7 -13.4 66 A 21 P C 49.8 10.9 -11.1
66 A 21 P O 49.5 9.7 -10.9 66 A 22 R N 50.9 11.4 -10.6 65 A 22 R CA
51.9 10.7 -9.8 63 A 22 R CB 53.0 11.6 -9.3 62 A 22 R CG 54.0 10.9
-8.4 62 A 22 R CD 55.1 11.9 -7.9 61 A 22 R NE 56.0 11.2 -6.9 62 A
22 R CZ 57.0 11.9 -6.3 61 A 22 R NH1 57.2 13.2 -6.5 62 A 22 R NH2
57.7 11.2 -5.4 62 A 22 R C 51.2 9.9 -8.6 63 A 22 R O 51.9 9.1 -8.0
63 A 23 Y N 50.0 10.3 -8.3 63 A 23 Y CA 49.3 9.6 -7.2 64 A 23 Y CB
49.2 10.6 -6.0 61 A 23 Y CG 50.6 11.2 -5.6 58 A 23 Y CD1 51.6 10.5
-5.0 57 A 23 Y CE1 52.8 11.0 -4.6 54 A 23 Y CD2 50.9 12.6 -6.0 56 A
23 Y CE2 52.1 13.1 -5.6 53 A 23 Y CZ 53.1 12.3 -5.0 54 A 23 Y OH
54.3 12.9 -4.7 51 A 23 Y C 47.9 9.2 -7.6 66 A 23 Y O 47.1 10.0 -8.2
66 A 24 T N 47.5 8.0 -7.2 68 A 24 T CA 46.1 7.5 -7.5 70 A 24 T CB
46.1 6.7 -8.8 71 A 24 T OG1 47.1 5.6 -8.7 71 A 24 T CG2 46.4 7.6
-10.0 71 A 24 T C 45.5 6.7 -6.3 71 A 24 T O 46.2 6.5 -5.3 72 A 25 N
N 44.3 6.1 -6.6 73 A 25 N CA 43.7 5.3 -5.6 74 A 25 N CB 44.5 4.0
-5.2 75 A 25 N CG 44.6 3.1 -6.4 76 A 25 N OD1 45.2 3.4 -7.5 76 A 25
N ND2 44.2 1.9 -6.2 76 A 25 N C 43.3 6.0 -4.3 74 A 25 N O 43.4 5.5
-3.2 74 A 26 L N 43.0 7.3 -4.4 75 A 26 L CA 42.6 8.1 -3.3 76 A 26 L
CB 42.2 9.5 -3.8 76 A 26 L CG 43.1 10.2 -4.8 76 A 26 L CD1 42.5
11.4 -5.4 76 A 26 L CD2 44.4 10.5 -4.1 75 A 26 L C 41.5 7.5 -2.4 76
A 26 L O 40.5 7.0 -2.9 77 A 27 S N 41.8 7.5 -1.1 75 A 27 S CA 40.8
7.0 -0.2 75 A 27 S CB 41.3 5.5 0.2 75 A 27 S OG 40.3 5.0 1.1 75 A
27 S C 40.7 7.8 1.1 75 A 27 S O 41.7 8.2 1.7 74 A 28 Y N 39.5 8.3
1.4 75 A 28 Y CA 39.2 9.1 2.5 76 A 28 Y CB 37.7 9.3 2.7 75 A 28 Y
CG 37.4 10.4 3.7 75 A 28 Y CD1 37.5 11.8 3.2 75 A 28 Y CE1 37.2
12.8 4.1 76 A 28 Y CD2 36.9 10.2 5.0 75 A 28 Y CE2 36.6 11.3 5.8 76
A 28 Y CZ 36.8 12.6 5.4 76 A 28 Y OH 36.5 13.6 6.2 77 A 28 Y C 39.9
8.6 3.8 76 A 28 Y O 40.0 7.4 4.0 76 A 29 I N 40.4 9.5 4.6 76 A 29 I
CA 41.0 9.2 5.9 77 A 29 I CB 42.5 9.2 5.8 76 A 29 I CG2 43.2 8.8
7.1 77 A 29 I CG1 43.0 8.3 4.7 75 A 29 I CD1 44.5 8.3 4.5 74 A 29 I
C 40.6 10.1 7.0 78 A 29 I O 40.6 9.8 8.2 79 A 30 G N 40.3 11.4 6.7
79 A 30 G CA 39.9 12.4 7.6 81 A 30 G C 40.0 13.8 7.0 83 A 30 G O
40.3 13.9 5.8 83 A 31 E N 39.6 14.8 7.8 84 A 31 E CA 39.5 16.1 7.3
86 A 31 E CB 38.1 16.5 6.7 86 A 31 E CG 38.1 17.7 5.8 87 A 31 E CD
36.7 18.0 5.3 87 A 31 E OE1 35.7 18.1 6.1 87 A 31 E OE2 36.6 18.1
4.0 87 A 31 E C 39.9 17.2 8.3 87 A 31 E O 40.6 16.8 9.3 87 A 32 G N
39.4 18.4 8.2 88 A 32 G CA 39.7 19.5 9.1 88 A 32 G C 39.1 20.8 8.7
89 A 32 G O 38.6 20.9 7.6 89 A 36 M N 40.6 17.7 3.8 53 A 36 M CA
40.5 16.3 3.4 55 A 36 M CB 39.6 16.1 2.2 56 A 36 M CG 39.4 14.7 1.7
59 A 36 M SD 38.1 14.5 0.5 63 A 36 M CE 38.8 15.1 -1.0 63 A 36 M C
41.8 15.6 3.2 55 A 36 M O 42.7 16.0 2.5 54 A 37 V N 42.0 14.4 3.9
55 A 37 V CA 43.2 13.6 3.8 55 A 37 V CB 43.9 13.4 5.1 54 A 37 V CG1
45.2 12.7 5.0 53 A 37 V CG2 44.1 14.8 5.8 53 A 37 V C 42.9 12.3 3.1
57 A 37 V O 42.0 11.6 3.6 57 A 38 C N 43.7 11.9 2.1 58 A 38 C CA
43.5 10.7 1.5 60 A 38 C CB 43.0 10.9 0.0 61 A 38 C SG 41.4 11.6
-0.1 63 A 38 C C 44.9 9.9 1.4 61 A 38 C O 45.9 10.5 1.3 60 A 39 S N
44.8 8.6 1.4 62 A 39 S CA 45.9 7.7 1.3 64 A 39 S CB 45.7 6.4 2.0 65
A 39 S OG 44.6 5.7 1.6 64 A 39 S C 46.0 7.4 -0.2 66 A 39 S O 45.2
6.7 -0.8 67 A 40 A N 47.0 8.0 -0.9 67 A 40 A CA 47.2 7.9 -2.3 68 A
40 A CB 47.5 9.2 -3.0 68 A 40 A C 48.3 6.9 -2.6 69 A 40 A O 49.2
6.7 -1.8 70 A 41 Y N 48.2 6.2 -3.7 70 A 41 Y CA 49.3 5.3 -4.1 71 A
41 Y CB 48.7 4.2 -5.0 72 A 41 Y CG 49.6 3.0 -5.3 73 A 41 Y CD1 49.9
2.1 -4.3 73 A
41 Y CE1 50.8 1.0 -4.6 74 A 41 Y CD2 50.3 2.9 -6.5 74 A 41 Y CE2
51.2 1.9 -6.8 74 A 41 Y CZ 51.4 1.0 -5.8 75 A 41 Y OH 52.3 -0.0
-6.0 75 A 41 Y C 50.3 6.0 -4.9 70 A 41 Y O 50.1 6.4 -6.1 70 A 42 D
N 51.4 6.3 -4.3 70 A 42 D CA 52.5 7.1 -5.0 70 A 42 D CB 53.7 7.2
-4.1 70 A 42 D CG 54.8 8.1 -4.7 70 A 42 D OD1 55.2 7.7 -5.8 70 A 42
D OD2 55.3 9.0 -4.0 70 A 42 D C 52.9 6.2 -6.2 71 A 42 D O 53.7 5.3
-6.1 71 A 43 N N 52.4 6.6 -7.4 71 A 43 N CA 52.7 5.8 -8.6 71 A 43 N
CB 51.7 6.3 -9.7 71 A 43 N CG 50.2 6.1 -9.3 71 A 43 N OD1 49.8 5.0
-9.0 72 A 43 N ND2 49.5 7.2 -9.4 72 A 43 N C 54.1 6.0 -9.0 71 A 43
N O 54.4 5.9 -10.2 71 A 44 L N 55.0 6.3 -8.1 70 A 44 L CA 56.4 6.5
-8.4 68 A 44 L CB 56.8 7.9 -8.3 67 A 44 L CG 58.3 8.3 -8.7 66 A 44
L CD1 58.3 9.8 -8.9 65 A 44 L CD2 59.2 7.9 -7.5 65 A 44 L C 57.2
5.7 -7.3 69 A 44 L O 57.1 6.0 -6.1 68 A 46 K N 55.9 3.6 -5.8 68 A
46 K CA 55.7 2.2 -5.7 69 A 46 K CB 57.0 1.4 -5.9 70 A 46 K CG 58.0
1.6 -4.8 71 A 46 K CD 58.8 2.9 -4.9 71 A 46 K CE 58.1 4.1 -4.2 71 A
46 K NZ 58.9 5.3 -4.4 71 A 46 K C 55.2 1.9 -4.2 67 A 46 K O 55.0
0.7 -3.9 68 A 47 V N 55.0 3.0 -3.5 65 A 47 V CA 54.5 2.8 -2.1 62 A
47 V CB 55.6 3.1 -1.1 63 A 47 V CG1 56.2 4.5 -1.3 63 A 47 V CG2
55.1 3.0 0.3 63 A 47 V C 53.4 3.9 -1.9 60 A 47 V O 53.4 4.9 -2.4 59
A 48 R N 52.4 3.5 -1.0 57 A 48 R CA 51.3 4.4 -0.7 55 A 48 R CB 50.1
3.7 -0.2 57 A 48 R CG 49.6 2.6 -1.1 58 A 48 R CD 48.2 2.2 -0.6 60 A
48 R NE 47.2 3.1 -1.0 61 A 48 R CZ 46.1 3.4 -0.2 62 A 48 R NH1 46.0
2.8 1.0 63 A 48 R NH2 45.2 4.2 -0.7 62 A 48 R C 51.8 5.5 0.3 53 A
48 R O 52.6 5.2 1.2 52 A 49 V N 51.3 6.7 0.1 49 A 49 V CA 51.6 7.8
0.9 45 A 49 V CB 52.5 8.9 0.2 44 A 49 V CG1 53.8 8.3 -0.3 42 A 49 V
CG2 51.7 9.4 -1.0 46 A 49 V C 50.3 8.5 1.4 42 A 49 V O 49.2 8.1 1.1
41 A 50 A N 50.5 9.5 2.3 39 A 50 A CA 49.4 10.3 2.8 37 A 50 A CB
49.5 10.4 4.3 35 A 50 A C 49.4 11.6 2.1 36 A 50 A O 50.5 12.3 2.0
33 A 51 I N 48.3 12.1 1.6 36 A 51 I CA 48.2 13.4 1.0 36 A 51 I CB
47.9 13.3 -0.5 35 A 51 I CG2 47.7 14.7 -1.1 33 A 51 I CG1 49.0 12.6
-1.3 37 A 51 I CD1 48.8 12.4 -2.8 38 A 51 I C 47.1 14.3 1.7 35 A 51
I O 46.0 13.9 1.8 35 A 52 K N 47.6 15.4 2.1 35 A 52 K CA 46.7 16.4
2.8 36 A 52 K CB 47.4 16.8 4.1 38 A 52 K CG 46.6 17.8 4.9 41 A 52 K
CD 47.6 18.7 5.7 44 A 52 K CE 48.6 17.9 6.5 44 A 52 K NZ 49.4 18.8
7.4 43 A 52 K C 46.4 17.6 1.9 35 A 52 K O 47.3 18.3 1.5 33 A 53 K N
45.1 17.8 1.7 35 A 53 K CA 44.7 18.9 0.9 36 A 53 K CB 43.4 18.6 0.0
39 A 53 K CG 42.9 19.8 -0.8 42 A 53 K CD 41.6 19.5 -1.5 42 A 53 K
CE 41.2 20.7 -2.3 44 A 53 K NZ 39.9 20.5 -3.1 45 A 53 K C 44.4 20.1
1.8 35 A 53 K O 43.6 20.0 2.7 36 A 54 I N 45.0 21.2 1.5 34 A 54 I
CA 44.8 22.4 2.3 35 A 54 I CB 46.2 22.9 2.9 34 A 54 I CG2 46.0 24.0
3.9 34 A 54 I CG1 46.8 21.7 3.6 35 A 54 I CD1 48.2 22.0 4.2 35 A 54
I C 44.3 23.6 1.5 34 A 54 I O 44.7 23.9 0.4 33 A 55 S N 43.3 24.3
2.0 35 A 55 S CA 42.6 25.4 1.4 36 A 55 S CB 41.2 25.0 0.9 35 A 55 S
OG 41.3 23.9 0.1 36 A 55 S C 42.5 26.5 2.5 36 A 55 S O 41.5 26.7
3.1 38 A 56 P N 43.6 27.3 2.7 37 A 56 P CD 45.0 26.9 2.2 38 A 56 P
CA 43.7 28.3 3.7 37 A 56 P CB 45.0 28.0 4.4 37 A 56 P CG 45.9 27.8
3.1 38 A 56 P C 43.7 29.8 3.2 37 A 56 P O 43.6 30.7 4.0 36 A 57 F N
43.9 30.0 1.9 37 A 57 F CA 44.0 31.3 1.4 38 A 57 F CB 44.2 31.2
-0.1 35 A 57 F CG 45.4 30.4 -0.5 32 A 57 F CD1 46.7 30.7 0.0 32 A
57 F CD2 45.3 29.2 -1.3 31 A 57 F CE1 47.8 29.9 -0.2 30 A 57 F CE2
46.4 28.4 -1.5 31 A 57 F CZ 47.6 28.7 -1.0 30 A 57 F C 42.9 32.4
1.7 39 A 57 F O 43.1 33.5 1.4 38 A 58 E N 41.7 31.9 2.2 42 A 58 E
CA 40.6 32.8 2.5 46 A 58 E CB 39.3 32.0 2.4 47 A 58 E CG 39.0 31.7
0.9 53 A 58 E CD 38.7 30.2 0.8 58 A 58 E OE1 37.7 29.7 1.4 60 A 58
E OE2 39.5 29.5 0.0 59 A 58 E C 40.7 33.4 3.9 46 A 58 E O 39.9 34.2
4.3 46 A 59 H N 41.8 33.1 4.7 46 A 59 H CA 42.0 33.6 6.0 46 A 59 H
CB 41.3 32.8 7.0 48 A 59 H CG 39.8 32.8 6.9 51 A 59 H CD2 38.9 31.8
6.5 51 A 59 H ND1 39.0 33.9 7.1 51 A 59 H CE1 37.7 33.6 6.8 52 A 59
H NE2 37.7 32.4 6.5 51 A 59 H C 43.5 33.7 6.4 45 A 59 H O 44.3 32.8
6.1 45 A 60 Q N 43.9 34.8 7.0 44 A 60 Q CA 45.2 35.1 7.4 46 A 60 Q
CB 45.4 36.4 8.1 46 A 60 Q CG 46.8 36.6 8.7 48 A 60 Q CD 46.9 37.9
9.6 50 A 60 Q OE1 46.0 38.2 10.4 52 A 60 Q NE2 47.9 38.7 9.3 51 A
60 Q C 45.8 34.0 8.4 45 A 60 Q O 46.9 33.5 8.2 45 A 61 T N 44.9
33.6 9.3 45 A 61 T CA 45.3 32.6 10.3 45 A 61 T CB 44.2 32.4 11.4 45
A 61 T OG1 43.0 32.0 10.7 49 A 61 T CG2 44.0 33.7 12.2 44 A 61 T C
45.7 31.3 9.7 45 A 61 T O 46.7 30.7 10.0 45 A 62 Y N 44.8 30.8 8.8
44 A 62 Y CA 45.1 29.5 8.1 44 A 62 Y CB 43.9 29.1 7.2 48 A 62 Y CG
42.6 28.9 8.0 52 A 62 Y CD1 42.6 28.0 9.1 55 A 62 Y CE1 41.4 27.8
9.8 58 A 62 Y CD2 41.5 29.6 7.7 55 A 62 Y CE2 40.3 29.4 8.4 58 A 62
Y CZ 40.3 28.6 9.5 59 A 62 Y OH 39.1 28.4 10.2 61 A 62 Y C 46.4
29.6 7.3 42 A 62 Y O 47.1 28.6 7.1 39 A 63 C N 46.6 30.8 6.7 38 A
63 C CA 47.8 31.0 5.9 38 A 63 C CB 47.7 32.4 5.2 37 A 63 C SG 46.6
32.4 3.8 33 A 63 C C 49.1 31.0 6.8 37 A 63 C O 50.1 30.4 6.4 36 A
64 Q N 49.0 31.6 7.9 35 A 64 Q CA 50.1 31.7 8.8 35 A 64 Q CB 49.8
32.6 10.1 37 A 64 Q CG 49.5 34.0 9.7 40 A 64 Q CD 49.1 34.8 10.9 44
A 64 Q OE1 48.2 34.5 11.6 45 A 64 Q NE2 49.8 36.0 11.1 44 A 64 Q C
50.5 30.2 9.3 33 A 64 Q O 51.6 29.8 9.3 34 A 65 R N 49.4 29.5 9.7
32 A 65 R CA 49.6 28.1 10.2 33 A 65 R CB 48.3 27.6 10.7 34 A 65 R
CG 47.6 28.4 11.8 38 A 65 R CD 48.4 28.7 13.0 41 A 65 R NE 47.6
29.5 14.0 44 A 65 R CZ 48.1 29.9 15.2 45 A 65 R NH1 49.3 29.5 15.6
46 A 65 R NH2 47.3 30.6 16.0 42 A 65 R C 50.1 27.2 9.1 32 A 65 R O
51.1 26.4 9.3 29 A 66 T N 49.6 27.3 7.9 29 A 66 T CA 50.0 26.5 6.7
29 A 66 T CB 49.2 26.8 5.5 30 A 66 T OG1 47.8 26.4 5.7 29 A 66 T
CG2 49.8 26.1 4.3 29 A 66 T C 51.5 26.8 6.4 28 A 66 T O 52.3 25.9
6.2 27 A 67 L N 51.8 28.1 6.4 26 A 67 L CA 53.2 28.5 6.1 25 A 67 L
CB 53.2 30.0 5.9 25 A 67 L CG 54.6 30.6 5.6 24 A 67 L CD1 55.1 30.0
4.3 26 A 67 L CD2 54.5 32.1 5.5 26 A 67 L C 54.2 28.1 7.1 26 A 67 L
O 55.3 27.7 6.8 25 A 68 R N 53.8 28.2 8.4 25 A 68 R CA 54.7 27.8
9.5 28 A 68 R CB 54.1 28.0 10.9 30 A 68 R CG 53.9 29.5 11.2 34 A 68
R CD 54.6 29.9 12.5 37 A 68 R NE 54.3 31.3 12.9 38 A 68 R CZ 53.1
31.7 13.1 38 A 68 R NH1 52.0 30.9 13.0 38 A 68 R NH2 52.9 33.0 13.4
38 A 68 R C 55.1 26.3 9.3 26 A 68 R O 56.3 25.9 9.4 26 A 69 E N
54.1 25.5 9.2 25 A 69 E CA 54.3 24.0 9.0 27 A 69 E CB 53.0 23.3 8.8
26 A 69 E CG 53.3 21.8 8.7 30 A 69 E CD 52.0 20.9 8.8 31 A 69 E OE1
51.1 21.1 8.0 36 A 69 E OE2 52.0 20.1 9.8 27 A 69 E C 55.2 23.7 7.8
27 A 69 E O 56.1 22.9 8.0 26 A 70 I N 54.9 24.3 6.7 25 A 70 I CA
55.8 24.1 5.5 25 A 70 I CB 55.2 24.8 4.3 24 A 70 I CG2 56.1 24.7
3.1 25 A 70 I CG1 53.8 24.2 3.9 23 A 70 I CD1 53.1 24.9 2.7 27 A 70
I C 57.2 24.4 5.7 24 A 70 I O 58.1 23.6 5.5 25 A 71 K N 57.4 25.7
6.2 26 A 71 K CA 58.8 26.2 6.4 26 A 71 K CB 58.8 27.6 6.9 28 A 71 K
CG 58.2 28.6 6.0 33 A 71 K CD 58.4 30.0 6.5 36 A 71 K CE 59.9 30.4
6.4 39 A 71 K NZ 60.1 31.8 6.8 42 A
71 K C 59.6 25.3 7.4 26 A 71 K O 60.7 24.9 7.1 25 A 72 I N 58.9
24.9 8.5 23 A 72 I CA 59.5 24.1 9.5 24 A 72 I CB 58.6 24.0 10.8 25
A 72 I CG2 59.1 23.0 11.7 26 A 72 I CG1 58.7 25.4 11.5 26 A 72 I
CD1 57.7 25.6 12.6 27 A 72 I C 59.8 22.7 9.0 23 A 72 I O 61.0 22.2
9.1 25 A 73 L N 58.8 22.0 8.5 21 A 73 L CA 59.0 20.6 8.1 23 A 73 L
CB 57.7 20.0 7.7 22 A 73 L CG 56.7 19.8 8.9 22 A 73 L CD1 55.5 19.0
8.5 23 A 73 L CD2 57.4 19.2 10.1 22 A 73 L C 59.9 20.5 6.9 24 A 73
L O 60.6 19.4 6.7 26 A 74 L N 60.1 21.5 6.1 25 A 74 L CA 61.0 21.4
4.9 26 A 74 L CB 60.7 22.5 3.9 24 A 74 L CG 59.4 22.3 3.0 24 A 74 L
CD1 59.4 23.4 2.0 23 A 74 L CD2 59.5 20.9 2.4 24 A 74 L C 62.4 21.5
5.4 27 A 74 L O 63.3 21.0 4.8 28 A 75 R N 62.6 22.2 6.6 27 A 75 R
CA 63.9 22.4 7.1 29 A 75 R CB 64.1 23.7 7.8 31 A 75 R CG 65.5 23.9
8.3 37 A 75 R CD 65.8 25.2 9.1 40 A 75 R NE 65.6 26.4 8.2 42 A 75 R
CZ 65.9 27.6 8.6 41 A 75 R NH1 66.5 27.8 9.7 40 A 75 R NH2 65.7
28.6 7.8 43 A 75 R C 64.3 21.2 8.0 28 A 75 R O 65.5 21.0 8.3 30 A
76 F N 63.3 20.5 8.5 26 A 76 F CA 63.6 19.4 9.4 24 A 76 F CB 62.4
19.2 10.4 20 A 76 F CG 62.3 20.2 11.5 18 A 76 F CD1 63.2 21.2 11.6
18 A 76 F CD2 61.3 20.1 12.5 19 A 76 F CE1 63.2 22.2 12.6 19 A 76 F
CE2 61.3 21.0 13.5 20 A 76 F CZ 62.2 22.0 13.6 16 A 76 F C 63.8
18.0 8.7 24 A 76 F O 63.2 17.8 7.6 22 A 77 R N 64.6 17.2 9.3 23 A
77 R CA 64.9 15.9 8.8 25 A 77 R CB 66.1 15.9 7.8 28 A 77 R CG 66.3
14.6 7.0 36 A 77 R CD 67.4 14.8 6.0 43 A 77 R NE 67.6 13.5 5.2 49 A
77 R CZ 68.1 12.4 5.7 51 A 77 R NH1 68.3 12.3 7.0 51 A 77 R NH2
68.2 11.3 4.9 52 A 77 R C 65.3 15.0 10.0 23 A 77 R O 66.4 15.1 10.5
22 A 78 H N 64.3 14.2 10.5 21 A 78 H CA 64.5 13.4 11.7 21 A 78 H CB
64.3 14.3 12.9 19 A 78 H CG 64.6 13.6 14.2 20 A 78 H CD2 65.7 13.8
15.0 19 A 78 H ND1 63.8 12.6 14.8 19 A 78 H CE1 64.4 12.2 15.9 20 A
78 H NE2 65.6 12.9 16.1 19 A 78 H C 63.6 12.2 11.6 20 A 78 H O 62.4
12.3 11.2 18 A 79 E N 64.1 11.1 12.1 19 A 79 E CA 63.3 9.8 12.0 21
A 79 E CB 64.1 8.7 12.7 24 A 79 E CG 65.4 8.3 12.0 31 A 79 E CD
65.9 7.0 12.5 34 A 79 E OE1 65.8 6.7 13.7 33 A 79 E OE2 66.4 6.2
11.7 38 A 79 E C 61.9 9.9 12.8 18 A 79 E O 61.0 9.3 12.3 17 A 80 N
N 61.9 10.7 13.9 17 A 80 N CA 60.7 10.8 14.6 17 A 80 N CB 61.0 10.7
16.1 16 A 80 N CG 61.7 9.4 16.5 15 A 80 N OD1 62.9 9.5 16.9 17 A 80
N ND2 61.1 8.3 16.3 15 A 80 N C 59.8 12.0 14.3 18 A 80 N O 59.0
12.4 15.1 18 A 81 I N 60.1 12.6 13.2 19 A 81 I CA 59.4 13.8 12.8 20
A 81 I CB 60.3 15.1 12.8 21 A 81 I CG2 59.5 16.3 12.2 19 A 81 I CG1
60.7 15.3 14.2 21 A 81 I CD1 61.7 16.5 14.3 21 A 81 I C 58.9 13.5
11.4 20 A 81 I O 59.7 13.2 10.5 20 A 82 I N 57.5 13.7 11.2 20 A 82
I CA 57.0 13.4 9.8 22 A 82 I CB 55.4 13.6 9.8 22 A 82 I CG2 55.0
15.0 9.9 20 A 82 I CG1 54.9 13.0 8.5 22 A 82 I CD1 55.0 11.4 8.4 20
A 82 I C 57.6 14.5 8.9 23 A 82 I O 57.7 15.6 9.3 25 A 83 G N 58.0
14.1 7.7 26 A 83 G CA 58.6 15.1 6.8 29 A 83 G C 57.5 15.4 5.7 29 A
83 G O 56.4 15.0 5.8 29 A 84 I N 58.0 16.2 4.8 29 A 84 I CA 57.1
16.6 3.7 28 A 84 I CB 56.9 18.1 3.5 27 A 84 I CG2 56.3 18.4 2.2 26
A 84 I CG1 56.0 18.6 4.6 27 A 84 I CD1 55.8 20.1 4.6 24 A 84 I C
57.9 16.0 2.5 29 A 84 I O 59.0 16.5 2.2 28 A 85 N N 57.3 15.0 1.8
28 A 85 N CA 57.9 14.4 0.6 31 A 85 N CB 57.3 13.0 0.4 31 A 85 N CG
57.5 12.1 1.6 31 A 85 N OD1 57.0 11.0 1.7 31 A 85 N ND2 58.2 12.6
2.6 29 A 85 N C 57.7 15.2 -0.7 32 A 85 N O 58.6 15.1 -1.5 31 A 86 D
N 56.6 15.9 -0.7 32 A 86 D CA 56.3 16.7 -1.9 32 A 86 D CB 56.0 15.7
-3.1 32 A 86 D CG 55.7 16.3 -4.4 33 A 86 D OD1 56.3 17.4 -4.7 36 A
86 D OD2 54.8 15.8 -5.1 36 A 86 D C 55.1 17.6 -1.6 30 A 86 D O 54.4
17.4 -0.7 28 A 87 I N 55.0 18.7 -2.4 30 A 87 I CA 54.0 19.7 -2.3 28
A 87 I CB 54.4 21.0 -1.6 28 A 87 I CG2 53.3 21.9 -1.5 25 A 87 I CG1
55.0 20.7 -0.3 27 A 87 I CD1 55.5 21.9 0.4 27 A 87 I C 53.4 19.9
-3.7 31 A 87 I O 54.2 20.3 -4.6 30 A 88 I N 52.1 19.8 -3.8 30 A 88
I CA 51.4 20.0 -5.1 31 A 88 I CB 50.5 18.8 -5.4 33 A 88 I CG2 49.8
19.0 -6.8 34 A 88 I CG1 51.4 17.5 -5.5 34 A 88 I CD1 50.6 16.2 -5.6
35 A 88 I C 50.5 21.2 -5.1 30 A 88 I O 49.8 21.5 -4.2 31 A 89 R N
50.7 22.1 -6.1 30 A 89 R CA 49.9 23.3 -6.3 28 A 89 R CB 50.3 24.3
-5.2 28 A 89 R CG 51.7 24.7 -5.1 28 A 89 R CD 52.3 25.5 -6.2 27 A
89 R NE 53.5 26.2 -5.9 28 A 89 R CZ 54.3 26.8 -6.8 30 A 89 R NH1
54.0 26.7 -8.1 26 A 89 R NH2 55.4 27.4 -6.4 28 A 89 R C 50.1 23.8
-7.7 29 A 89 R O 51.0 23.4 -8.4 28 A 90 A N 49.2 24.7 -8.1 28 A 90
A CA 49.2 25.3 -9.4 27 A 90 A CB 48.0 26.2 -9.6 25 A 90 A C 50.5
26.0 -9.8 28 A 90 A O 51.2 26.5 -8.9 28 A 91 P N 50.8 26.1 -11.1 29
A 91 P CD 50.1 25.6 -12.2 30 A 91 P CA 52.0 26.8 -11.5 29 A 91 P CB
52.1 26.4 -13.0 29 A 91 P CG 50.7 26.3 -13.4 28 A 91 P C 52.1 28.3
-11.3 28 A 91 P O 53.2 28.9 -11.3 29 A 92 T N 50.9 28.9 -11.0 26 A
92 T CA 50.9 30.3 -10.8 26 A 92 T CB 50.2 31.1 -12.0 26 A 92 T OG1
48.8 30.8 -12.1 25 A 92 T CG2 50.9 30.7 -13.3 23 A 92 T C 50.1 30.6
-9.5 27 A 92 T O 49.3 29.9 -9.1 27 A 93 I N 50.4 31.8 -8.9 28 A 93
I CA 49.7 32.2 -7.7 30 A 93 I CB 50.3 33.5 -7.1 33 A 93 I CG2 50.2
34.6 -8.2 34 A 93 I CG1 49.6 33.9 -5.8 35 A 93 I CD1 50.2 35.0 -5.1
37 A 93 I C 48.2 32.4 -8.0 29 A 93 I O 47.4 32.0 -7.2 28 A 94 E N
47.9 33.0 -9.1 29 A 94 E CA 46.5 33.2 -9.5 29 A 94 E CB 46.4 34.0
-10.9 31 A 94 E CG 47.1 35.3 -10.9 33 A 94 E CD 48.5 35.3 -11.3 35
A 94 E OE1 49.2 34.3 -11.1 35 A 94 E OE2 49.0 36.4 -11.7 37 A 94 E
C 45.7 32.0 -9.6 29 A 94 E O 44.5 32.0 -9.2 29 A 95 Q N 46.3 30.9
-10.0 27 A 95 Q CA 45.5 29.6 -10.2 27 A 95 Q CB 46.0 28.8 -11.4 27
A 95 Q CG 46.1 29.7 -12.6 30 A 95 Q CD 46.7 28.9 -13.8 30 A 95 Q
OE1 46.0 28.1 -14.4 31 A 95 Q NE2 48.0 29.0 -14.0 30 A 95 Q C 45.6
28.7 -8.9 27 A 95 Q O 45.0 27.7 -8.9 25 A 96 M N 46.5 29.1 -8.0 26
A 96 M CA 46.6 28.3 -6.8 27 A 96 M CB 48.0 28.6 -6.1 25 A 96 M CG
48.2 27.9 -4.8 25 A 96 M SD 49.9 28.1 -4.1 27 A 96 M CE 49.9 29.8
-3.6 25 A 96 M C 45.5 28.6 -5.7 27 A 96 M O 45.5 29.7 -5.1 26 A 97
K N 44.6 27.7 -5.6 28 A 97 K CA 43.5 27.9 -4.6 31 A 97 K CB 42.2
27.7 -5.3 33 A 97 K CG 41.9 28.7 -6.4 35 A 97 K CD 42.2 30.1 -5.9
39 A 97 K CE 42.2 31.2 -7.0 43 A 97 K NZ 42.8 32.5 -6.6 41 A 97 K C
43.7 26.8 -3.5 30 A 97 K O 43.0 27.0 -2.4 30 A 98 D N 44.5 25.8
-3.7 30 A 98 D CA 44.7 24.8 -2.7 32 A 98 D CB 43.8 23.5 -3.0 32 A
98 D CG 42.4 23.9 -3.4 36 A 98 D OD1 42.2 24.3 -4.6 37 A 98 D OD2
41.5 23.7 -2.6 37 A 98 D C 46.2 24.4 -2.8 31 A 98 D O 46.9 24.7
-3.7 30 A 99 V N 46.6 23.6 -1.8 31 A 99 V CA 47.9 23.1 -1.7 31 A 99
V CB 48.9 23.9 -0.9 33 A 99 V CG1 50.2 23.3 -0.7 35 A 99 V CG2 49.1
25.3 -1.5 33 A 99 V C 47.9 21.7 -1.1 31 A 99 V O 47.3 21.5 -0.1 31
A 100 Y N 48.5 20.7 -1.8 30 A 100 Y CA 48.5 19.3 -1.3 30 A 100 Y CB
48.2 18.3 -2.4 32 A 100 Y CG 46.8 18.5 -3.1 36 A 100 Y CD1 46.7
19.6 -4.1 37 A 100 Y CE1 45.4 19.7 -4.7 39 A 100 Y CD2 45.7 17.7
-2.8 37 A 100 Y CE2 44.5 17.9 -3.5 38 A 100 Y CZ 44.4 18.9 -4.4 40
A 100 Y OH 43.2 19.1 -5.0 42 A 100 Y C 49.9 19.0 -0.8 30 A 100 Y O
50.9 19.1 -1.4 27 A 101 I N 49.9 18.5 0.5 29 A 101 I CA 51.1 18.1
1.1 29 A 101 I CB 51.2 18.7 2.6 30 A 101 I CG2 52.5 18.2 3.3 28 A
101 I CG1 51.2 20.2 2.5 29 A
101 I CD1 51.3 20.9 3.8 32 A 101 I C 51.3 16.6 1.2 28 A 101 I O
50.4 15.9 1.8 28 A 102 V N 52.3 16.0 0.6 28 A 102 V CA 52.5 14.6
0.6 27 A 102 V CB 53.1 14.1 -0.8 27 A 102 V CG1 53.2 12.6 -0.9 27 A
102 V CG2 52.3 14.7 -1.9 26 A 102 V C 53.5 14.2 1.7 26 A 102 V O
54.6 14.8 1.8 25 A 103 Q N 53.1 13.1 2.4 26 A 103 Q CA 53.9 12.7
3.5 27 A 103 Q CB 53.4 13.3 4.9 26 A 103 Q CG 53.3 14.8 4.8 24 A
103 Q CD 52.8 15.4 6.1 24 A 103 Q OE1 51.6 15.2 6.4 25 A 103 Q NE2
53.6 16.1 6.9 22 A 103 Q C 53.9 11.2 3.6 27 A 103 Q O 53.0 10.5 3.1
26 A 104 D N 54.9 10.6 4.3 28 A 104 D CA 54.9 9.1 4.5 29 A 104 D CB
56.1 8.7 5.4 31 A 104 D CG 57.5 8.9 4.8 31 A 104 D OD1 57.5 8.9 3.5
33 A 104 D OD2 58.4 9.1 5.5 31 A 104 D C 53.6 8.7 5.2 28 A 104 D O
53.2 9.4 6.1 28 A 105 L N 53.1 7.6 4.7 28 A 105 L CA 51.8 7.1 5.3
29 A 105 L CB 51.1 6.2 4.2 29 A 105 L CG 49.9 5.5 4.7 29 A 105 L
CD1 48.7 6.5 4.9 29 A 105 L CD2 49.4 4.5 3.6 30 A 105 L C 52.1 6.2
6.5 29 A 105 L O 52.9 5.3 6.5 29 A 106 M N 51.4 6.5 7.6 29 A 106 M
CA 51.5 5.8 8.8 30 A 106 M CB 51.8 6.7 10.0 29 A 106 M CG 53.1 7.5
9.9 29 A 106 M SD 54.6 6.4 9.8 31 A 106 M CE 54.9 6.1 11.6 28 A 106
M C 50.2 5.0 9.0 29 A 106 M O 49.1 5.4 8.5 30 A 107 E N 50.2 4.0
9.8 30 A 107 E CA 49.0 3.1 10.0 30 A 107 E CB 49.4 1.7 10.4 34 A
107 E CG 50.2 1.0 9.3 38 A 107 E CD 50.9 -0.2 9.9 41 A 107 E OE1
50.3 -1.1 10.5 44 A 107 E OE2 52.2 -0.3 9.7 43 A 107 E C 48.0 3.6
11.0 30 A 107 E O 46.8 3.4 10.8 30 A 108 T N 48.4 4.3 12.0 26 A 108
T CA 47.5 4.9 13.0 25 A 108 T CB 46.9 3.7 13.9 24 A 108 T OG1 45.9
4.2 14.8 27 A 108 T CG2 48.1 3.1 14.8 26 A 108 T C 48.2 5.9 13.8 23
A 108 T O 49.3 6.4 13.5 20 A 109 D N 47.5 6.4 14.9 24 A 109 D CA
48.1 7.4 15.8 23 A 109 D CB 47.5 8.8 15.5 25 A 109 D CG 46.0 8.9
15.8 26 A 109 D OD1 45.5 8.4 16.8 29 A 109 D OD2 45.3 9.4 14.9 29 A
109 D C 47.8 6.9 17.2 22 A 109 D O 47.0 6.0 17.4 20 A 110 L N 48.5
7.5 18.2 22 A 110 L CA 48.4 7.1 19.6 21 A 110 L CB 49.4 7.9 20.5 21
A 110 L CG 49.4 7.4 21.9 21 A 110 L CD1 49.9 6.0 22.0 19 A 110 L
CD2 50.3 8.3 22.7 18 A 110 L C 47.0 7.2 20.1 22 A 110 L O 46.5 6.4
20.9 21 A 111 Y N 46.3 8.2 19.6 23 A 111 Y CA 44.9 8.5 20.0 27 A
111 Y CB 44.3 9.7 19.3 28 A 111 Y CG 42.9 10.0 19.7 34 A 111 Y CD1
42.5 10.5 20.9 36 A 111 Y CE1 41.2 10.7 21.2 40 A 111 Y CD2 41.9
9.7 18.7 36 A 111 Y CE2 40.5 9.8 19.0 40 A 111 Y CZ 40.2 10.4 20.3
41 A 111 Y OH 38.8 10.5 20.6 44 A 111 Y C 44.0 7.3 19.7 27 A 111 Y
O 43.3 6.7 20.6 26 A 112 K N 44.0 6.9 18.4 27 A 112 K CA 43.2 5.8
18.0 29 A 112 K CB 43.3 5.6 16.5 30 A 112 K CG 42.6 4.3 16.0 36 A
112 K CD 42.6 4.2 14.5 41 A 112 K CE 41.6 5.1 13.8 46 A 112 K NZ
41.8 6.6 14.1 50 A 112 K C 43.6 4.5 18.7 28 A 112 K O 42.8 3.7 19.1
29 A 113 L N 44.9 4.3 18.8 27 A 113 L CA 45.5 3.1 19.5 28 A 113 L
CB 47.0 3.1 19.4 28 A 113 L CG 47.7 1.9 20.0 28 A 113 L CD1 47.4
0.7 19.2 29 A 113 L CD2 49.2 2.1 20.1 28 A 113 L C 45.1 3.0 20.9 28
A 113 L O 44.8 1.9 21.4 27 A 114 L N 45.0 4.1 21.7 28 A 114 L CA
44.6 4.0 23.1 30 A 114 L CB 45.0 5.3 23.8 27 A 114 L CG 46.5 5.6
24.0 29 A 114 L CD1 46.7 7.0 24.7 24 A 114 L CD2 47.1 4.5 24.9 26 A
114 L C 43.1 3.8 23.3 31 A 114 L O 42.7 3.5 24.4 32 A 115 K N 42.4
3.8 22.2 34 A 115 K CA 40.9 3.5 22.3 38 A 115 K CB 40.2 4.1 21.1 39
A 115 K CG 39.9 5.6 21.2 44 A 115 K CD 39.0 6.1 20.1 48 A 115 K CE
38.4 7.5 20.4 51 A 115 K NZ 37.5 7.9 19.3 54 A 115 K C 40.7 2.0
22.3 39 A 115 K O 39.8 1.5 22.9 39 A 116 T N 41.7 1.3 21.7 40 A 116
T CA 41.6 -0.1 21.5 42 A 116 T CB 41.8 -0.5 20.0 43 A 116 T OG1
40.8 -0.0 19.2 47 A 116 T CG2 41.9 -2.0 19.9 46 A 116 T C 42.6 -0.9
22.4 41 A 116 T O 42.2 -2.1 22.8 40 A 117 Q N 43.7 -0.4 22.6 39 A
117 Q CA 44.8 -1.1 23.4 39 A 117 Q CB 46.0 -1.4 22.5 41 A 117 Q CG
45.7 -2.1 21.2 44 A 117 Q CD 45.2 -3.6 21.4 47 A 117 Q OE1 46.0
-4.4 22.0 48 A 117 Q NE2 44.1 -3.9 21.0 49 A 117 Q C 45.3 -0.5 24.7
38 A 117 Q O 45.4 0.7 24.8 36 A 118 H N 45.5 -1.4 25.7 37 A 118 H
CA 46.1 -0.9 26.9 38 A 118 H CB 45.6 -1.8 28.1 42 A 118 H CG 46.2
-1.4 29.4 48 A 118 H CD2 45.6 -1.0 30.6 50 A 118 H ND1 47.6 -1.4
29.6 51 A 118 H CE1 47.8 -1.1 30.8 51 A 118 H NE2 46.7 -0.8 31.4 51
A 118 H C 47.5 -1.3 26.6 36 A 118 H O 47.9 -2.5 26.4 36 A 119 L N
48.4 -0.3 26.7 32 A 119 L CA 49.8 -0.5 26.4 28 A 119 L CB 50.5 0.8
25.9 27 A 119 L CG 49.9 1.4 24.6 27 A 119 L CD1 50.6 2.8 24.4 25 A
119 L CD2 50.0 0.5 23.4 29 A 119 L C 50.6 -1.1 27.5 26 A 119 L O
50.5 -0.6 28.7 24 A 120 S N 51.5 -2.0 27.2 24 A 120 S CA 52.4 -2.6
28.2 23 A 120 S CB 53.1 -3.8 27.7 22 A 120 S OG 53.9 -3.5 26.6 20 A
120 S C 53.4 -1.5 28.5 22 A 120 S O 53.6 -0.6 27.8 22 A 121 N N
54.1 -1.7 29.7 21 A 121 N CA 55.2 -0.7 30.1 23 A 121 N CB 55.8 -1.1
31.4 22 A 121 N CG 56.9 -0.2 31.8 24 A 121 N OD1 56.7 1.0 32.1 23 A
121 N ND2 58.2 -0.7 31.7 22 A 121 N C 56.3 -0.6 29.0 23 A 121 N O
56.7 0.5 28.8 22 A 122 D N 56.7 -1.7 28.4 22 A 122 D CA 57.8 -1.5
27.4 21 A 122 D CB 58.6 -2.9 27.2 22 A 122 D CG 57.7 -4.0 26.6 22 A
122 D OD1 56.5 -3.8 26.3 19 A 122 D OD2 58.3 -5.0 26.4 22 A 122 D C
57.4 -0.8 26.1 20 A 122 D O 58.2 -0.3 25.4 16 A 123 H N 56.1 -0.9
25.8 20 A 123 H CA 55.6 -0.1 24.6 21 A 123 H CB 54.2 -0.6 24.2 21 A
123 H CG 54.1 -1.7 23.3 22 A 123 H CD2 54.2 -1.8 21.9 24 A 123 H
ND1 54.0 -3.0 23.7 22 A 123 H CE1 53.9 -3.8 22.7 23 A 123 H NE2
54.1 -3.1 21.6 24 A 123 H C 55.6 1.4 25.0 21 A 123 H O 56.0 2.2
24.2 21 A 124 I N 55.1 1.7 26.2 19 A 124 I CA 55.0 3.0 26.7 20 A
124 I CB 54.4 3.1 28.1 18 A 124 I CG2 54.5 4.5 28.7 17 A 124 I CG1
53.0 2.6 28.0 19 A 124 I CD1 52.2 2.7 29.4 19 A 124 I C 56.4 3.7
26.8 21 A 124 I O 56.6 4.8 26.3 21 A 125 C N 57.4 2.9 27.3 19 A 125
C CA 58.8 3.4 27.4 20 A 125 C CB 59.6 2.3 28.1 20 A 125 C SG 61.3
2.8 28.5 23 A 125 C C 59.4 3.7 26.0 20 A 125 C O 60.0 4.7 25.8 20 A
126 Y N 59.2 2.8 25.1 20 A 126 Y CA 59.7 3.0 23.7 20 A 126 Y CB
59.5 1.7 22.9 20 A 126 Y CG 60.2 1.8 21.5 24 A 126 Y CD1 61.5 2.1
21.4 24 A 126 Y CE1 62.1 2.1 20.1 23 A 126 Y CD2 59.5 1.5 20.4 22 A
126 Y CE2 60.0 1.5 19.1 24 A 126 Y CZ 61.4 1.8 19.0 24 A 126 Y OH
62.0 1.9 17.8 24 A 126 Y C 59.0 4.2 23.0 20 A 126 Y O 59.7 5.0 22.3
19 A 127 F N 57.7 4.3 23.1 20 A 127 F CA 57.0 5.4 22.5 19 A 127 F
CB 55.5 5.3 22.7 19 A 127 F CG 54.9 4.2 21.8 22 A 127 F CD1 55.4
3.9 20.5 22 A 127 F CD2 53.7 3.5 22.2 23 A 127 F CE1 54.8 2.9 19.7
24 A 127 F CE2 53.1 2.5 21.4 23 A 127 F CZ 53.7 2.2 20.2 23 A 127 F
C 57.5 6.8 23.1 19 A 127 F O 57.7 7.7 22.4 17 A 128 L N 57.5 6.8
24.5 18 A 128 L CA 58.0 8.0 25.1 19 A 128 L CB 58.0 7.8 26.7 19 A
128 L CG 58.4 9.0 27.5 21 A 128 L CD1 57.5 10.2 27.2 21 A 128 L CD2
58.4 8.7 29.0 22 A 128 L C 59.4 8.4 24.7 17 A 128 L O 59.7 9.6 24.5
17 A 129 Y N 60.2 7.4 24.5 16 A 129 Y CA 61.6 7.7 24.1 17 A 129 Y
CB 62.4 6.4 24.0 18 A 129 Y CG 63.8 6.6 23.4 19 A 129 Y CD1 64.8
7.2 24.2 17 A 129 Y CE1 66.0 7.5 23.6 17 A 129 Y CD2 64.1 6.2 22.1
19 A 129 Y CE2 65.4 6.5 21.6 19 A 129 Y CZ 66.3 7.1 22.3 18 A 129 Y
OH 67.5 7.4 21.7 19 A 129 Y C 61.6 8.4 22.7 17 A 129 Y O 62.3 9.3
22.5 17 A 130 Q N 60.8 7.8 21.8 15 A 130 Q CA 60.8 8.4 20.5 17 A
130 Q CB 60.0 7.5 19.5 16 A 130 Q CG 60.6 6.2 19.3 15 A 130 Q CD
59.8 5.4 18.3 17 A 130 Q OE1 59.9 5.5 17.1 17 A 130 Q NE2 58.9 4.5
18.8 15 A
130 Q C 60.2 9.8 20.5 17 A 130 Q O 60.6 10.7 19.7 16 A 131 I N 59.2
10.0 21.3 16 A 131 I CA 58.6 11.4 21.4 15 A 131 I CB 57.5 11.4 22.5
14 A 131 I CG2 57.0 12.8 22.7 14 A 131 I CG1 56.3 10.6 22.0 12 A
131 I CD1 55.2 10.4 23.1 15 A 131 I C 59.7 12.4 21.9 16 A 131 I O
59.8 13.5 21.3 16 A 132 L N 60.4 12.0 22.9 16 A 132 L CA 61.5 12.9
23.4 16 A 132 L CB 61.9 12.4 24.8 16 A 132 L CG 60.9 12.5 25.9 19 A
132 L CD1 61.2 11.8 27.1 20 A 132 L CD2 60.7 14.0 26.2 19 A 132 L C
62.7 13.0 22.5 17 A 132 L O 63.3 14.1 22.4 17 A 133 R N 62.9 12.0
21.7 17 A 133 R CA 64.0 12.0 20.8 17 A 133 R CB 64.3 10.6 20.1 17 A
133 R CG 65.5 10.5 19.2 17 A 133 R CD 65.8 9.0 18.9 19 A 133 R NE
66.9 8.8 18.0 19 A 133 R CZ 66.7 8.5 16.7 22 A 133 R NH1 65.5 8.5
16.2 20 A 133 R NH2 67.8 8.3 15.9 18 A 133 R C 63.7 13.0 19.7 16 A
133 R O 64.5 13.8 19.2 18 A 134 G N 62.4 13.0 19.2 15 A 134 G CA
62.0 13.9 18.2 14 A 134 G C 61.9 15.3 18.7 15 A 134 G O 62.3 16.3
18.1 17 A 135 L N 61.4 15.4 20.0 13 A 135 L CA 61.3 16.7 20.6 16 A
135 L CB 60.5 16.6 21.9 16 A 135 L CG 60.1 17.9 22.6 18 A 135 L CD1
59.3 18.7 21.6 17 A 135 L CD2 59.4 17.7 23.9 19 A 135 L C 62.7 17.4
20.8 16 A 135 L O 62.8 18.6 20.8 17 A 136 K N 63.7 16.6 21.1 16 A
136 K CA 65.0 17.1 21.3 15 A 136 K CB 66.0 16.0 21.7 14 A 136 K CG
67.5 16.5 21.8 15 A 136 K CD 68.5 15.3 22.0 17 A 136 K CE 69.9 15.9
22.0 17 A 136 K NZ 70.9 14.8 22.2 17 A 136 K C 65.5 17.8 20.1 16 A
136 K O 66.1 18.9 20.1 17 A 137 Y N 65.2 17.2 18.9 16 A 137 Y CA
65.6 17.8 17.6 16 A 137 Y CB 65.3 16.7 16.5 14 A 137 Y CG 65.7 17.2
15.1 18 A 137 Y CD1 64.8 17.9 14.3 19 A 137 Y CE1 65.1 18.4 13.1 21
A 137 Y CD2 67.0 17.0 14.6 17 A 137 Y CE2 67.3 17.4 13.3 18 A 137 Y
CZ 66.4 18.1 12.6 21 A 137 Y OH 66.7 18.5 11.3 20 A 137 Y C 64.8
19.1 17.4 18 A 137 Y O 65.4 20.1 17.1 18 A 138 I N 63.5 19.0 17.6
16 A 138 I CA 62.7 20.2 17.4 17 A 138 I CB 61.2 19.9 17.8 17 A 138
I CG2 60.4 21.2 17.7 18 A 138 I CG1 60.6 18.8 16.8 13 A 138 I CD1
59.2 18.3 17.2 13 A 138 I C 63.2 21.3 18.3 17 A 138 I O 63.4 22.5
17.8 15 A 139 H N 63.4 21.1 19.6 17 A 139 H CA 63.9 22.1 20.5 16 A
139 H CB 63.8 21.6 21.9 16 A 139 H CG 62.4 21.6 22.5 16 A 139 H CD2
61.2 22.0 21.9 16 A 139 H ND1 62.1 21.2 23.8 15 A 139 H CE1 60.8
21.3 24.0 18 A 139 H NE2 60.2 21.8 22.9 16 A 139 H C 65.3 22.6 20.2
17 A 139 H O 65.6 23.8 20.4 17 A 140 S N 66.1 21.7 19.7 17 A 140 S
CA 67.5 22.1 19.3 19 A 140 S CB 68.4 20.9 18.9 16 A 140 S OG 68.0
20.4 17.7 18 A 140 S C 67.5 23.1 18.1 19 A 140 S O 68.4 23.9 17.9
20 A 141 A N 66.4 23.1 17.4 18 A 141 A CA 66.2 24.0 16.3 21 A 141 A
CB 65.3 23.4 15.2 20 A 141 A C 65.6 25.3 16.7 22 A 141 A O 65.2
26.2 15.9 22 A 142 N N 65.4 25.4 18.1 22 A 142 N CA 64.7 26.6 18.7
23 A 142 N CB 65.5 27.9 18.3 25 A 142 N CG 65.2 29.0 19.2 28 A 142
N OD1 65.2 28.9 20.5 31 A 142 N ND2 65.0 30.2 18.7 28 A 142 N C
63.3 26.7 18.3 22 A 142 N O 62.7 27.8 18.1 22 A 143 V N 62.7 25.6
18.1 21 A 143 V CA 61.2 25.5 17.7 19 A 143 V CB 61.1 24.7 16.3 20 A
143 V CG1 59.6 24.5 16.0 18 A 143 V CG2 61.7 25.6 15.2 21 A 143 V C
60.4 24.8 18.7 20 A 143 V O 60.9 23.9 19.4 18 A 144 L N 59.1 25.2
18.8 18 A 144 L CA 58.2 24.7 19.8 18 A 144 L CB 57.6 25.8 20.7 17 A
144 L CG 58.6 26.8 21.3 19 A 144 L CD1 57.9 27.9 22.0 18 A 144 L
CD2 59.5 26.0 22.3 19 A 144 L C 57.1 24.1 19.0 19 A 144 L O 56.6
24.7 18.0 18 A 145 H N 56.6 22.9 19.3 18 A 145 H CA 55.5 22.2 18.6
18 A 145 H CB 55.5 20.7 18.9 17 A 145 H CG 54.5 20.0 18.1 18 A 145
H CD2 54.6 19.2 17.0 18 A 145 H ND1 53.1 20.1 18.4 15 A 145 H CE1
52.5 19.3 17.5 19 A 145 H NE2 53.3 18.8 16.7 18 A 145 H C 54.2 22.9
19.0 17 A 145 H O 53.4 23.3 18.1 19 A 146 R N 54.0 23.0 20.3 16 A
146 R CA 52.8 23.6 20.9 18 A 146 R CB 52.7 25.0 20.4 19 A 146 R CG
54.0 25.9 20.7 19 A 146 R CD 53.9 27.3 20.0 22 A 146 R NE 53.1 28.2
20.9 24 A 146 R CZ 52.1 28.9 20.5 23 A 146 R NH1 51.5 28.7 19.3 24
A 146 R NH2 51.5 29.8 21.3 22 A 146 R C 51.4 22.9 20.9 18 A 146 R O
50.5 23.5 21.3 18 A 147 D N 51.4 21.8 20.3 17 A 147 D CA 50.1 21.0
20.2 17 A 147 D CB 49.3 21.4 18.9 18 A 147 D CG 47.9 21.1 19.0 22 A
147 D OD1 47.3 20.9 20.2 20 A 147 D OD2 47.2 21.0 18.0 23 A 147 D C
50.3 19.5 20.3 16 A 147 D O 49.7 18.7 19.6 15 A 148 L N 51.3 19.1
21.1 15 A 148 L CA 51.6 17.7 21.3 17 A 148 L CB 52.9 17.5 22.0 15 A
148 L CG 54.1 18.0 21.3 16 A 148 L CD1 55.3 18.1 22.3 16 A 148 L
CD2 54.5 17.2 20.1 17 A 148 L C 50.4 17.0 22.0 18 A 148 L O 50.0
17.5 23.1 17 A 149 K N 49.9 16.0 21.4 16 A 149 K CA 48.8 15.2 22.0
18 A 149 K CB 47.5 16.0 21.8 18 A 149 K CG 47.2 16.3 20.3 19 A 149
K CD 45.8 17.1 20.2 19 A 149 K CE 45.6 17.6 18.8 19 A 149 K NZ 44.3
18.3 18.7 23 A 149 K C 48.8 13.9 21.3 18 A 149 K O 49.4 13.8 20.2
20 A 150 P N 48.1 12.9 21.8 20 A 150 P CD 47.2 12.9 23.0 19 A 150 P
CA 48.0 11.5 21.1 19 A 150 P CB 47.0 10.8 21.9 20 A 150 P CG 47.1
11.4 23.3 21 A 150 P C 47.8 11.5 19.6 21 A 150 P O 48.4 10.8 18.9
20 A 151 S N 46.8 12.3 19.2 21 A 151 S CA 46.4 12.3 17.7 21 A 151 S
CB 45.1 13.1 17.5 22 A 151 S OG 45.2 14.4 18.0 22 A 151 S C 47.5
12.9 16.8 22 A 151 S O 47.5 12.7 15.6 22 A 152 N N 48.5 13.6 17.4
21 A 152 N CA 49.6 14.2 16.6 20 A 152 N CB 49.9 15.6 17.2 21 A 152
N CG 49.0 16.6 16.6 24 A 152 N OD1 48.9 17.7 17.1 25 A 152 N ND2
48.2 16.3 15.6 20 A 152 N C 50.8 13.3 16.7 18 A 152 N O 51.9 13.7
16.3 19 A 153 L N 50.7 12.0 17.1 18 A 153 L CA 51.8 11.1 17.2 18 A
153 L CB 52.0 10.6 18.6 17 A 153 L CG 52.3 11.7 19.6 19 A 153 L CD1
52.5 11.1 21.0 16 A 153 L CD2 53.6 12.4 19.2 17 A 153 L C 51.4 9.9
16.3 17 A 153 L O 50.5 9.1 16.7 17 A 154 L N 51.9 9.8 15.1 18 A 154
L CA 51.6 8.7 14.1 19 A 154 L CB 51.8 9.2 12.7 20 A 154 L CG 51.0
10.5 12.3 25 A 154 L CD1 51.5 11.0 11.0 25 A 154 L CD2 49.5 10.1
12.2 27 A 154 L C 52.5 7.5 14.4 20 A 154 L O 53.6 7.6 14.7 20 A 155
L N 51.9 6.3 14.2 21 A 155 L CA 52.5 5.1 14.5 24 A 155 L CB 52.0
4.5 15.8 24 A 155 L CG 52.0 5.4 17.0 25 A 155 L CD1 51.1 4.8 18.1
24 A 155 L CD2 53.4 5.7 17.5 24 A 155 L C 52.3 4.0 13.4 25 A 155 L
O 51.3 4.1 12.6 24 A 156 N N 53.1 3.0 13.3 27 A 156 N CA 53.0 1.9
12.4 29 A 156 N CB 54.0 2.0 11.2 31 A 156 N CG 55.4 2.0 11.7 35 A
156 N OD1 55.8 1.5 12.7 34 A 156 N ND2 56.3 2.7 10.8 36 A 156 N C
53.2 0.6 13.2 30 A 156 N O 53.5 0.7 14.4 28 A 157 T N 53.0 -0.5
12.6 33 A 157 T CA 53.1 -1.8 13.3 34 A 157 T CB 52.6 -3.0 12.5 36 A
157 T OG1 53.2 -2.9 11.2 40 A 157 T CG2 51.1 -3.0 12.4 37 A 157 T C
54.5 -2.1 13.9 33 A 157 T O 54.7 -2.8 14.8 34 A 158 T N 55.5 -1.5
13.2 31 A 158 T CA 56.9 -1.7 13.7 29 A 158 T CB 57.9 -1.5 12.6 31 A
158 T OG1 57.7 -0.2 12.0 36 A 158 T CG2 57.8 -2.6 11.5 33 A 158 T C
57.2 -0.8 14.9 26 A 158 T O 58.3 -0.7 15.4 24 A 159 C N 56.1 -0.1
15.3 24 A 159 C CA 56.2 0.8 16.5 22 A 159 C CB 56.7 0.1 17.7 25 A
159 C SG 55.5 -1.1 18.4 26 A 159 C C 57.0 2.1 16.3 22 A 159 C O
57.4 2.7 17.2 21 A 160 D N 57.2 2.4 15.0 21 A 160 D CA 57.9 3.6
14.7 21 A 160 D CB 58.3 3.8 13.3 22 A 160 D CG 59.4 2.8 12.9 23 A
160 D OD1 60.4 2.6 13.6 24 A 160 D OD2 59.3 2.2 11.8 27 A 160 D C
56.9 4.7 15.1 20 A 160 D O 55.7 4.6 14.8 18 A 161 L N 57.4 5.8 15.6
18 A 161 L CA 56.6 7.0 16.0 18 A 161 L CB 56.5 7.1 17.5 20 A 161 L
CG 55.8 8.3 18.2 20 A 161 L CD1 55.4 7.9 19.6 21 A 161 L CD2 56.6
9.6 18.1 17 A 161 L C 57.1 8.2 15.3 20 A 161 L O 58.3 8.5 15.3 19 A
162 K N 56.1 9.0 14.8 19 A 162 K CA 56.5 10.3 14.1 20 A
162 K CB 56.4 10.1 12.6 20 A 162 K CG 57.5 9.2 12.0 23 A 162 K CD
57.4 9.2 10.4 22 A 162 K CE 58.3 8.1 9.8 25 A 162 K NZ 59.7 8.4
10.1 25 A 162 K C 55.5 11.4 14.6 19 A 162 K O 54.3 11.2 14.6 17 A
163 I N 56.1 12.5 15.0 18 A 163 I CA 55.4 13.7 15.4 19 A 163 I CB
56.3 14.6 16.2 19 A 163 I CG2 55.5 15.8 16.7 18 A 163 I CG1 56.9
13.8 17.4 18 A 163 I CD1 58.0 14.6 18.2 16 A 163 I C 54.9 14.4 14.2
20 A 163 I O 55.7 14.6 13.2 17 A 164 C N 53.6 14.8 14.2 20 A 164 C
CA 53.1 15.6 13.0 21 A 164 C CB 52.2 14.6 12.2 20 A 164 C SG 50.7
14.1 13.0 28 A 164 C C 52.3 16.8 13.5 20 A 164 C O 52.2 17.1 14.7
18 A 165 D N 51.8 17.5 12.5 21 A 165 D CA 51.0 18.7 12.7 22 A 165 D
CB 49.8 18.4 13.5 27 A 165 D CG 48.7 17.8 12.6 37 A 165 D OD1 49.0
16.8 11.9 40 A 165 D OD2 47.5 18.3 12.6 43 A 165 D C 51.7 19.9 13.4
20 A 165 D O 51.6 20.1 14.6 19 A 166 F N 52.6 20.6 12.6 17 A 166 F
CA 53.3 21.7 13.2 19 A 166 F CB 54.7 21.7 12.6 18 A 166 F CG 55.6
20.7 13.2 22 A 166 F CD1 55.4 19.3 12.9 19 A 166 F CD2 56.6 21.0
14.0 20 A 166 F CE1 56.2 18.3 13.4 21 A 166 F CE2 57.4 20.0 14.6 19
A 166 F CZ 57.2 18.7 14.3 19 A 166 F C 52.6 23.0 12.8 19 A 166 F O
53.3 24.1 12.7 20 A 167 G N 51.3 23.0 12.7 20 A 167 G CA 50.5 24.2
12.3 22 A 167 G C 50.5 25.2 13.4 22 A 167 G O 50.3 26.4 13.1 23 A
168 L N 50.7 24.8 14.7 20 A 168 L CA 50.7 25.8 15.7 22 A 168 L CB
49.8 25.3 16.9 22 A 168 L CG 48.3 25.2 16.6 24 A 168 L CD1 47.6
24.7 17.9 25 A 168 L CD2 47.8 26.5 16.1 24 A 168 L C 52.1 26.0 16.3
20 A 168 L O 52.3 26.7 17.3 22 A 169 A N 53.1 25.5 15.6 19 A 169 A
CA 54.5 25.7 16.0 21 A 169 A CB 55.4 24.8 15.1 21 A 169 A C 55.0
27.1 15.9 23 A 169 A O 54.5 27.9 15.1 25 A 170 R N 55.9 27.5 16.7
23 A 170 R CA 56.5 28.8 16.8 25 A 170 R CB 55.8 29.7 17.8 27 A 170
R CG 54.3 29.7 17.7 34 A 170 R CD 53.8 30.4 16.4 39 A 170 R NE 54.1
31.8 16.4 43 A 170 R CZ 53.3 32.7 16.9 44 A 170 R NH1 52.1 32.3
17.4 44 A 170 R NH2 53.6 34.0 16.8 45 A 170 R C 58.0 28.7 17.1 24 A
170 R O 58.5 27.7 17.6 20 A 171 V N 58.7 29.8 16.8 24 A 171 V CA
60.1 29.9 17.2 22 A 171 V CB 60.9 30.9 16.4 22 A 171 V CG1 62.3
31.1 16.9 20 A 171 V CG2 60.9 30.5 14.9 21 A 171 V C 60.1 30.3 18.7
23 A 171 V O 59.3 31.2 19.0 23 A 172 A N 60.8 29.6 19.5 22 A 172 A
CA 60.8 29.9 20.9 22 A 172 A CB 61.8 29.0 21.7 20 A 172 A C 61.2
31.4 21.2 25 A 172 A O 62.0 31.9 20.4 23 A 173 D N 60.6 32.0 22.2
25 A 173 D CA 60.8 33.4 22.5 27 A 173 D CB 59.9 34.3 21.7 27 A 173
D CG 60.2 35.7 21.8 27 A 173 D OD1 61.1 36.1 22.5 26 A 173 D OD2
59.6 36.5 21.1 27 A 173 D C 60.6 33.6 24.0 27 A 173 D O 59.7 34.3
24.4 25 A 174 P N 61.4 33.0 24.8 29 A 174 P CD 62.5 32.1 24.5 30 A
174 P CA 61.3 33.1 26.3 32 A 174 P CB 62.4 32.2 26.8 32 A 174 P CG
63.4 32.2 25.7 32 A 174 P C 61.3 34.5 26.8 34 A 174 P O 60.8 34.7
28.0 34 A 175 D N 61.8 35.5 26.1 36 A 175 D CA 61.8 36.8 26.6 37 A
175 D CB 62.9 37.7 25.8 40 A 175 D CG 64.3 37.2 26.1 44 A 175 D OD1
64.6 37.0 27.3 46 A 175 D OD2 65.1 37.1 25.1 49 A 175 D C 60.5 37.5
26.4 35 A 175 D O 60.2 38.5 27.1 36 A 176 H N 59.6 37.0 25.5 33 A
176 H CA 58.3 37.6 25.3 31 A 176 H CB 58.2 38.2 23.9 36 A 176 H CG
59.3 39.1 23.5 40 A 176 H CD2 59.3 40.5 23.5 41 A 176 H ND1 60.6
38.7 23.2 40 A 176 H CE1 61.3 39.8 23.0 41 A 176 H NE2 60.6 40.9
23.1 42 A 176 H C 57.2 36.6 25.6 29 A 176 H O 56.2 36.6 25.0 25 A
177 D N 57.4 35.8 26.6 27 A 177 D CA 56.5 34.7 27.0 28 A 177 D CB
57.2 33.6 27.7 25 A 177 D CG 56.3 32.4 28.0 25 A 177 D OD1 56.0
32.1 29.1 27 A 177 D OD2 55.9 31.7 27.0 28 A 177 D C 55.4 35.2 27.9
28 A 177 D O 54.3 34.6 28.0 26 A 178 H N 55.6 36.4 28.6 30 A 178 H
CA 54.6 36.9 29.5 31 A 178 H CB 55.2 37.9 30.4 36 A 178 H CG 56.1
38.9 29.7 45 A 178 H CD2 56.0 40.3 29.6 48 A 178 H ND1 57.2 38.6
29.0 47 A 178 H CE1 57.8 39.7 28.5 49 A 178 H NE2 57.1 40.7 28.8 49
A 178 H C 53.3 37.5 28.9 29 A 178 H O 53.3 38.2 27.9 26 A 179 T N
52.2 37.1 29.5 27 A 179 T CA 50.9 37.6 29.2 25 A 179 T CB 50.2 36.7
28.1 25 A 179 T OG1 49.0 37.3 27.6 25 A 179 T CG2 49.9 35.3 28.6 23
A 179 T C 50.0 37.6 30.4 24 A 179 T O 50.4 37.2 31.5 22 A 180 G N
48.8 38.2 30.3 23 A 180 G CA 48.0 38.3 31.5 24 A 180 G C 47.2 37.0
31.9 23 A 180 G O 47.3 36.0 31.2 24 A 181 F N 46.6 37.1 33.1 22 A
181 F CA 45.9 36.0 33.7 22 A 181 F CB 45.4 36.5 35.1 21 A 181 F CG
44.5 35.5 35.8 19 A 181 F CD1 44.9 34.2 36.0 20 A 181 F CD2 43.3
36.0 36.4 20 A 181 F CE1 44.1 33.3 36.7 22 A 181 F CE2 42.5 35.1
37.1 19 A 181 F CZ 42.9 33.8 37.3 17 A 181 F C 44.7 35.7 32.8 23 A
181 F O 43.9 36.6 32.3 23 A 182 L N 44.5 34.4 32.6 21 A 182 L CA
43.4 33.9 31.8 22 A 182 L CB 42.0 34.2 32.4 24 A 182 L CG 41.8 33.6
33.8 24 A 182 L CD1 40.5 34.1 34.4 27 A 182 L CD2 41.8 32.1 33.8 23
A 182 L C 43.3 34.4 30.3 24 A 182 L O 42.3 34.8 29.8 24 A 183 T N
44.5 34.4 29.7 27 A 183 T CA 44.6 34.9 28.3 30 A 183 T CB 46.0 35.4
27.9 31 A 183 T OG1 46.3 36.5 28.8 32 A 183 T CG2 46.1 35.8 26.5 32
A 183 T C 44.2 33.7 27.4 30 A 183 T O 44.8 32.6 27.5 31 A 184 E N
43.4 34.0 26.4 32 A 184 E CA 42.9 33.0 25.4 35 A 184 E CB 42.1 33.6
24.3 37 A 184 E CG 41.7 32.7 23.2 44 A 184 E CD 40.7 33.3 22.2 47 A
184 E OE1 41.0 34.4 21.8 49 A 184 E OE2 39.7 32.6 21.9 47 A 184 E C
44.1 32.2 24.8 34 A 184 E O 45.2 32.8 24.5 35 A 185 Y N 43.9 30.9
24.6 34 A 185 Y CA 45.0 30.1 24.0 33 A 185 Y CB 45.6 29.2 25.0 31 A
185 Y CG 47.0 28.7 24.6 30 A 185 Y CD1 48.0 29.6 24.4 31 A 185 Y
CE1 49.3 29.1 24.1 29 A 185 Y CD2 47.2 27.3 24.6 30 A 185 Y CE2
48.5 26.8 24.2 29 A 185 Y CZ 49.5 27.7 24.0 29 A 185 Y OH 50.8 27.3
23.7 26 A 185 Y C 44.3 29.2 22.9 33 A 185 Y O 43.1 28.8 23.0 33 A
186 V N 45.1 28.8 21.9 33 A 186 V CA 44.6 28.0 20.8 32 A 186 V CB
45.1 28.6 19.4 34 A 186 V CG1 46.6 28.4 19.3 35 A 186 V CG2 44.4
27.9 18.3 35 A 186 V C 44.8 26.5 20.9 31 A 186 V O 44.0 25.8 20.4
32 A 187 A N 45.9 26.1 21.4 28 A 187 A CA 46.3 24.7 21.5 29 A 187 A
CB 47.7 24.5 22.1 28 A 187 A C 45.3 23.9 22.4 27 A 187 A O 44.7
24.4 23.3 26 A 188 T N 45.2 22.6 22.0 26 A 188 T CA 44.3 21.6 22.7
24 A 188 T CB 44.6 20.2 22.2 24 A 188 T OG1 44.8 20.2 20.8 23 A 188
T CG2 43.5 19.3 22.6 23 A 188 T C 44.3 21.8 24.2 24 A 188 T O 45.4
21.5 24.8 23 A 189 R N 43.2 22.1 24.7 22 A 189 R CA 43.0 22.3 26.2
21 A 189 R CB 41.5 22.5 26.5 23 A 189 R CG 41.2 22.9 27.9 24 A 189
R CD 39.7 22.8 28.2 25 A 189 R NE 38.9 23.5 27.2 25 A 189 R CZ 37.9
22.9 26.6 26 A 189 R NH1 37.5 21.7 27.0 26 A 189 R NH2 37.2 23.6
25.7 26 A 189 R C 43.6 21.3 27.2 20 A 189 R O 44.3 21.7 28.1 19 A
190 W N 43.2 20.1 27.0 19 A 190 W CA 43.7 19.0 27.9 20 A 190 W CB
43.1 17.6 27.5 23 A 190 W CG 41.6 17.5 27.5 25 A 190 W CD2 40.9
16.4 27.0 27 A 190 W CE2 39.5 16.7 27.3 28 A 190 W CE3 41.2 15.2
26.4 29 A 190 W CD1 40.7 18.4 28.1 25 A 190 W NE1 39.4 17.9 27.9 26
A 190 W CZ2 38.5 15.9 26.9 28 A 190 W CZ3 40.1 14.4 26.0 29 A 190 W
CH2 38.8 14.7 26.3 30 A 190 W C 45.2 18.9 28.1 20 A 190 W O 45.6
18.2 29.1 22 A 191 Y N 45.9 19.4 27.2 18 A 191 Y CA 47.4 19.3 27.2
18 A 191 Y CB 47.9 18.7 25.9 19 A 191 Y CG 47.2 17.4 25.6 21 A 191
Y CD1 47.6 16.2 26.1 20 A 191 Y CE1 46.9 15.0 26.0 22 A 191 Y CD2
46.0 17.4 24.8 21 A 191 Y CE2 45.2 16.2 24.7 22 A 191 Y CZ 45.7
15.0 25.3 23 A 191 Y OH 44.9 13.8 25.2 22 A 191 Y C 48.1 20.6 27.5
18 A 191 Y O 49.3 20.7 27.3 17 A 192 R N 47.3 21.6 27.9 19 A 192 R
CA 47.9 23.0 28.2 17 A 192 R CB 46.8 24.1 28.2 16 A 192 R CG 46.1
24.3 26.9 18 A 192 R CD 45.0 25.3 27.0 16 A 192 R NE 44.3 25.5 25.7
18 A
192 R CZ 43.0 25.9 25.6 21 A 192 R NH1 42.3 26.3 26.6 22 A 192 R
NH2 42.5 26.0 24.4 24 A 192 R C 48.5 23.0 29.6 16 A 192 R O 47.9
22.6 30.6 15 A 193 A N 49.8 23.5 29.7 16 A 193 A CA 50.5 23.6 30.9
17 A 193 A CB 51.9 24.1 30.7 16 A 193 A C 49.7 24.7 31.8 18 A 193 A
O 49.0 25.5 31.3 18 A 194 P N 49.8 24.6 33.1 17 A 194 P CD 50.6
23.6 33.9 19 A 194 P CA 49.1 25.5 34.0 18 A 194 P CB 49.5 25.0 35.4
18 A 194 P CG 50.8 24.4 35.2 19 A 194 P C 49.4 27.0 33.8 18 A 194 P
O 48.5 27.8 33.8 17 A 195 E N 50.7 27.3 33.5 18 A 195 E CA 51.1
28.7 33.2 18 A 195 E CB 52.6 28.8 33.1 17 A 195 E CG 53.1 28.1 31.8
16 A 195 E CD 53.6 26.7 32.1 17 A 195 E OE1 53.1 26.1 33.1 17 A 195
E OE2 54.4 26.1 31.4 17 A 195 E C 50.4 29.3 32.0 19 A 195 E O 50.3
30.6 31.9 21 A 196 I N 49.8 28.5 31.1 18 A 196 I CA 49.1 29.1 30.0
18 A 196 I CB 48.6 28.0 29.0 19 A 196 I CG2 47.6 28.6 28.1 21 A 196
I CG1 49.8 27.3 28.3 17 A 196 I CD1 50.7 28.3 27.5 18 A 196 I C
48.0 29.9 30.5 19 A 196 I O 47.7 31.0 29.9 19 A 197 M N 47.3 29.4
31.5 17 A 197 M CA 46.1 30.1 32.1 20 A 197 M CB 45.2 29.1 32.8 18 A
197 M CG 44.4 28.2 31.8 19 A 197 M SD 45.5 26.9 31.1 21 A 197 M CE
45.6 25.7 32.4 17 A 197 M C 46.5 31.2 33.1 19 A 197 M O 45.7 32.0
33.5 18 A 198 L N 47.8 31.2 33.5 18 A 198 L CA 48.2 32.2 34.5 20 A
198 L CB 49.0 31.4 35.6 18 A 198 L CG 48.2 30.3 36.3 20 A 198 L CD1
49.1 29.4 37.1 20 A 198 L CD2 47.0 30.9 37.2 18 A 198 L C 49.1 33.3
34.1 20 A 198 L O 48.9 34.4 34.5 21 A 199 N N 50.1 33.0 33.2 21 A
199 N CA 51.0 34.1 32.7 21 A 199 N CB 52.0 34.4 33.8 21 A 199 N CG
52.8 33.2 34.2 23 A 199 N OD1 53.1 32.3 33.4 25 A 199 N ND2 53.1
33.1 35.5 23 A 199 N C 51.8 33.8 31.5 22 A 199 N O 52.7 34.6 31.1
22 A 200 S N 51.5 32.7 30.7 21 A 200 S CA 52.3 32.4 29.6 21 A 200 S
CB 53.0 31.0 29.8 19 A 200 S OG 53.8 30.6 28.7 19 A 200 S C 51.6
32.3 28.2 22 A 200 S O 50.4 31.8 28.1 22 A 201 K N 52.3 32.7 27.2
21 A 201 K CA 51.8 32.7 25.8 22 A 201 K CB 52.4 33.9 25.0 24 A 201
K CG 51.9 35.3 25.4 27 A 201 K CD 52.5 36.3 24.5 29 A 201 K CE 51.9
37.7 24.8 34 A 201 K NZ 52.5 38.7 23.8 36 A 201 K C 52.2 31.4 25.1
23 A 201 K O 52.0 31.2 23.9 21 A 202 G N 53.0 30.6 25.9 21 A 202 G
CA 53.4 29.3 25.3 21 A 202 G C 54.6 29.5 24.4 22 A 202 G O 54.7
28.7 23.3 21 A 203 Y N 55.5 30.4 24.7 21 A 203 Y CA 56.7 30.6 23.8
23 A 203 Y CB 56.9 32.1 23.6 26 A 203 Y CG 55.8 32.8 22.8 28 A 203
Y CD1 54.9 32.0 22.0 31 A 203 Y CE1 53.9 32.6 21.2 32 A 203 Y CD2
55.6 34.2 22.7 33 A 203 Y CE2 54.7 34.8 21.9 34 A 203 Y CZ 53.8
34.0 21.2 34 A 203 Y OH 52.8 34.6 20.4 39 A 203 Y C 58.0 30.0 24.4
23 A 203 Y O 59.1 30.5 24.0 23 A 204 T N 57.9 29.1 25.3 23 A 204 T
CA 59.1 28.5 25.9 23 A 204 T CB 59.2 28.9 27.4 26 A 204 T OG1 58.2
28.2 28.2 30 A 204 T CG2 59.1 30.4 27.6 27 A 204 T C 59.0 27.0 25.8
21 A 204 T O 57.9 26.4 25.9 20 A 205 K N 60.1 26.3 25.7 19 A 205 K
CA 60.2 24.9 25.5 19 A 205 K CB 61.6 24.4 25.4 19 A 205 K CG 62.4
25.0 24.2 18 A 205 K CD 63.9 24.7 24.2 17 A 205 K CE 64.6 25.4 23.1
21 A 205 K NZ 66.0 25.1 23.1 19 A 205 K C 59.4 24.1 26.6 17 A 205 K
O 58.9 23.0 26.3 18 A 206 S N 59.4 24.6 27.8 16 A 206 S CA 58.7
23.9 28.9 17 A 206 S CB 58.8 24.7 30.2 17 A 206 S OG 58.4 26.1 30.0
20 A 206 S C 57.2 23.6 28.6 17 A 206 S O 56.6 22.7 29.1 16 A 207 I
N 56.6 24.4 27.6 16 A 207 I CA 55.3 24.2 27.2 17 A 207 I CB 54.8
25.3 26.3 21 A 207 I CG2 55.1 24.9 24.8 23 A 207 I CG1 53.3 25.5
26.4 25 A 207 I CD1 52.9 25.9 27.8 25 A 207 I C 55.1 22.8 26.6 17 A
207 I O 54.0 22.1 26.9 16 A 208 D N 56.0 22.3 25.8 15 A 208 D CA
56.0 21.0 25.2 14 A 208 D CB 57.0 20.9 24.0 14 A 208 D CG 56.6 21.7
22.8 16 A 208 D OD1 55.3 21.9 22.5 16 A 208 D OD2 57.5 22.1 22.0 14
A 208 D C 56.2 19.9 26.2 16 A 208 D O 55.6 18.8 26.0 15 A 209 I N
57.1 20.1 27.1 15 A 209 I CA 57.4 19.1 28.1 14 A 209 I CB 58.5 19.5
29.1 17 A 209 I CG2 58.7 18.5 30.3 14 A 209 I CG1 59.8 19.7 28.3 16
A 209 I CD1 60.3 18.4 27.7 18 A 209 I C 56.1 18.7 28.9 15 A 209 I O
55.9 17.6 29.2 15 A 210 W N 55.4 19.7 29.3 15 A 210 W CA 54.1 19.5
30.0 15 A 210 W CB 53.4 20.8 30.4 14 A 210 W CG 52.1 20.6 31.0 14 A
210 W CD2 51.9 20.5 32.5 15 A 210 W CE2 50.5 20.2 32.6 16 A 210 W
CE3 52.7 20.6 33.6 15 A 210 W CD1 50.9 20.4 30.4 14 A 210 W NE1
50.0 20.1 31.4 16 A 210 W CZ2 50.0 20.1 33.9 16 A 210 W CZ3 52.2
20.5 34.8 17 A 210 W CH2 50.8 20.2 35.0 15 A 210 W C 53.2 18.6 29.1
15 A 210 W O 52.6 17.6 29.7 15 A 211 S N 53.1 18.9 27.9 15 A 211 S
CA 52.2 18.1 27.0 17 A 211 S CB 52.2 18.7 25.6 18 A 211 S OG 51.7
20.0 25.6 18 A 211 S C 52.6 16.6 26.9 18 A 211 S O 51.8 15.7 27.0
16 A 212 V N 54.0 16.4 26.9 16 A 212 V CA 54.5 15.1 26.8 19 A 212 V
CB 56.0 15.1 26.6 19 A 212 V CG1 56.6 13.7 26.8 21 A 212 V CG2 56.3
15.7 25.2 16 A 212 V C 54.2 14.4 28.1 18 A 212 V O 53.9 13.2 28.1
18 A 213 G N 54.2 15.1 29.2 18 A 213 G CA 53.9 14.5 30.5 18 A 213 G
C 52.4 14.1 30.5 17 A 213 G O 52.1 13.1 31.1 15 A 214 C N 51.6 14.9
29.9 17 A 214 C CA 50.1 14.5 29.8 17 A 214 C CB 49.3 15.7 29.2 18 A
214 C SG 49.2 17.2 30.3 18 A 214 C C 49.9 13.3 29.0 17 A 214 C O
49.1 12.4 29.3 17 A 215 I N 50.7 13.2 27.9 17 A 215 I CA 50.6 12.0
27.0 17 A 215 I CB 51.5 12.2 25.7 17 A 215 I CG2 51.5 10.9 24.9 17
A 215 I CG1 50.8 13.4 24.9 16 A 215 I CD1 51.7 13.9 23.8 13 A 215 I
C 51.1 10.8 27.7 18 A 215 I O 50.5 9.7 27.6 18 A 216 L N 52.2 10.9
28.5 17 A 216 L CA 52.7 9.7 29.3 20 A 216 L CB 53.9 10.1 30.0 17 A
216 L CG 54.5 9.0 31.0 17 A 216 L CD1 54.7 7.7 30.3 15 A 216 L CD2
55.8 9.5 31.6 15 A 216 L C 51.6 9.2 30.2 21 A 216 L O 51.4 8.0 30.3
21 A 217 A N 51.0 10.1 31.0 22 A 217 A CA 49.9 9.8 31.9 21 A 217 A
CB 49.4 11.1 32.6 22 A 217 A C 48.8 9.1 31.2 22 A 217 A O 48.3 8.1
31.7 23 A 218 E N 48.5 9.6 30.0 20 A 218 E CA 47.4 9.0 29.2 20 A
218 E CB 47.1 9.9 28.0 18 A 218 E CG 45.7 9.6 27.4 21 A 218 E CD
45.2 10.8 26.6 22 A 218 E OE1 45.6 11.9 26.8 22 A 218 E OE2 44.3
10.5 25.7 21 A 218 E C 47.7 7.6 28.8 21 A 218 E O 46.8 6.7 28.7 20
A 219 M N 49.0 7.3 28.4 20 A 219 M CA 49.4 6.0 28.0 21 A 219 M CB
50.8 6.0 27.4 20 A 219 M CG 51.0 6.6 26.0 19 A 219 M SD 52.6 6.2
25.3 18 A 219 M CE 53.7 7.3 26.2 18 A 219 M C 49.3 5.0 29.1 23 A
219 M O 49.1 3.8 29.0 23 A 220 L N 49.5 5.6 30.3 23 A 220 L CA 49.5
4.8 31.6 25 A 220 L CB 50.2 5.6 32.7 22 A 220 L CG 51.7 5.8 32.7 21
A 220 L CD1 52.1 6.7 33.8 18 A 220 L CD2 52.4 4.5 32.8 21 A 220 L C
48.1 4.3 32.0 28 A 220 L O 48.0 3.3 32.7 28 A 221 S N 47.1 5.1 31.6
29 A 221 S CA 45.7 4.7 32.0 30 A 221 S CB 45.3 5.7 33.1 31 A 221 S
OG 45.3 7.0 32.6 34 A 221 S C 44.7 4.7 30.9 30 A 221 S O 43.5 4.3
31.2 31 A 222 N N 45.0 5.1 29.7 29 A 222 N CA 44.1 5.1 28.6 30 A
222 N CB 43.4 3.8 28.4 30 A 222 N CG 44.3 2.7 27.8 29 A 222 N OD1
44.4 2.6 26.6 30 A 222 N ND2 45.1 2.0 28.7 31 A 222 N C 43.0 6.2
28.8 30 A 222 N O 42.0 6.2 28.1 30 A 223 R N 43.3 7.2 29.6 29 A 223
R CA 42.4 8.3 29.9 29 A 223 R CB 41.6 8.1 31.1 32 A 223 R CG 42.4
8.0 32.4 39 A 223 R CD 41.6 7.9 33.7 44 A 223 R NE 42.4 7.5 34.9 50
A 223 R CZ 43.4 8.2 35.4 51 A 223 R NH1 43.8 9.4 34.8 50 A 223 R
NH2 44.1 7.8 36.4 51 A 223 R C 43.2 9.6 30.0 26 A 223 R O 44.3 9.6
30.6 24 A 224 P N 42.7 10.7 29.5 25 A 224 P CD 41.5 10.9 28.6 24 A
224 P CA 43.4 12.0 29.6 24 A 224 P CB 42.6 13.0 28.8 26 A 224 P CG
41.2 12.3 28.8 26 A 224 P C 43.5 12.3 31.1 23 A 224 P O 42.5 12.1
31.8 23 A 225 I N 44.7 12.7 31.6 22 A
225 I CA 44.8 13.0 33.0 22 A 225 I CB 46.4 13.1 33.4 20 A 225 I CG2
47.1 14.2 32.6 19 A 225 I CG1 46.5 13.3 34.9 21 A 225 I CD1 48.0
13.3 35.4 23 A 225 I C 44.1 14.3 33.5 22 A 225 I O 43.6 14.3 34.6
22 A 226 F N 44.1 15.3 32.6 23 A 226 F CA 43.4 16.6 33.0 22 A 226 F
CB 44.5 17.7 33.1 20 A 226 F CG 45.6 17.4 34.0 19 A 226 F CD1 45.4
17.1 35.4 19 A 226 F CD2 46.9 17.4 33.6 18 A 226 F CE1 46.5 16.8
36.3 17 A 226 F CE2 48.0 17.2 34.5 18 A 226 F CZ 47.8 16.9 35.8 17
A 226 F C 42.4 16.9 31.9 22 A 226 F O 42.6 17.8 31.1 21 A 227 P N
41.2 16.3 31.9 23 A 227 P CD 40.9 15.1 32.7 24 A 227 P CA 40.2 16.5
30.9 24 A 227 P CB 39.4 15.2 30.9 24 A 227 P CG 39.5 14.8 32.3 23 A
227 P C 39.3 17.7 31.3 25 A 227 P O 38.1 17.6 31.4 26 A 228 G N
39.9 18.9 31.3 24 A 228 G CA 39.1 20.1 31.6 26 A 228 G C 37.9 20.3
30.7 28 A 228 G O 38.1 20.1 29.5 28 A 229 K N 36.8 20.6 31.2 30 A
229 K CA 35.5 20.8 30.5 33 A 229 K CB 34.3 20.7 31.4 36 A 229 K CG
34.1 19.3 32.0 42 A 229 K CD 33.0 19.4 33.1 45 A 229 K CE 32.6 18.0
33.5 49 A 229 K NZ 33.7 17.1 34.0 51 A 229 K C 35.5 22.1 29.7 32 A
229 K O 34.9 22.2 28.6 34 A 230 H N 36.2 23.1 30.3 31 A 230 H CA
36.3 24.4 29.7 30 A 230 H CB 35.1 25.3 30.0 29 A 230 H CG 34.8 25.3
31.5 28 A 230 H CD2 35.3 26.1 32.5 27 A 230 H ND1 33.9 24.5 32.1 29
A 230 H CE1 33.8 24.8 33.4 27 A 230 H NE2 34.7 25.7 33.6 29 A 230 H
C 37.6 25.0 30.1 29 A 230 H O 38.4 24.5 30.9 30 A 231 Y N 37.9 26.2
29.6 28 A 231 Y CA 39.1 27.0 29.9 27 A 231 Y CB 39.0 28.4 29.4 27 A
231 Y CG 40.3 29.2 29.4 26 A 231 Y CD1 40.7 29.8 30.6 25 A 231 Y
CE1 41.9 30.5 30.7 26 A 231 Y CD2 41.2 29.2 28.3 28 A 231 Y CE2
42.4 29.9 28.4 25 A 231 Y CZ 42.7 30.6 29.6 24 A 231 Y OH 43.9 31.2
29.6 22 A 231 Y C 39.7 27.0 31.3 29 A 231 Y O 40.8 26.5 31.5 28 A
232 L N 38.9 27.5 32.2 29 A 232 L CA 39.4 27.6 33.6 30 A 232 L CB
38.6 28.6 34.5 32 A 232 L CG 39.1 28.7 35.9 34 A 232 L CD1 40.5
29.3 36.0 31 A 232 L CD2 38.1 29.7 36.7 35 A 232 L C 39.4 26.2 34.3
29 A 232 L O 40.1 25.9 35.2 30 A 233 D N 38.4 25.4 33.9 27 A 233 D
CA 38.3 24.1 34.5 26 A 233 D CB 37.1 23.3 33.8 26 A 233 D CG 36.8
22.0 34.5 26 A 233 D OD1 36.7 22.1 35.8 27 A 233 D OD2 36.5 21.0
33.9 30 A 233 D C 39.6 23.3 34.2 25 A 233 D O 39.9 22.4 35.0 27 A
234 Q N 40.3 23.6 33.2 24 A 234 Q CA 41.6 23.0 32.9 23 A 234 Q CB
42.2 23.5 31.6 21 A 234 Q CG 43.4 22.7 31.1 20 A 234 Q CD 43.0 21.3
30.9 22 A 234 Q OE1 41.9 20.9 30.5 20 A 234 Q NE2 44.0 20.4 31.2 19
A 234 Q C 42.5 23.1 34.0 23 A 234 Q O 43.2 22.2 34.4 21 A 235 L N
42.5 24.4 34.6 24 A 235 L CA 43.4 24.6 35.7 26 A 235 L CB 43.5 26.2
35.9 27 A 235 L CG 44.4 26.7 37.0 28 A 235 L CD1 45.8 26.1 36.8 28
A 235 L CD2 44.5 28.2 37.0 30 A 235 L C 42.9 24.0 37.0 26 A 235 L O
43.7 23.5 37.8 26 A 236 N N 41.6 23.9 37.2 27 A 236 N CA 41.0 23.2
38.3 27 A 236 N CB 39.5 23.2 38.3 30 A 236 N CG 38.8 24.5 38.4 34 A
236 N OD1 39.4 25.5 39.0 34 A 236 N ND2 37.6 24.6 38.0 33 A 236 N C
41.5 21.7 38.4 25 A 236 N O 41.7 21.2 39.4 24 A 237 H N 41.5 21.1
37.2 25 A 237 H CA 42.0 19.7 37.1 22 A 237 H CB 41.7 19.2 35.7 25 A
237 H CG 40.3 18.7 35.4 27 A 237 H CD2 39.2 19.4 35.1 26 A 237 H
ND1 40.0 17.4 35.5 26 A 237 H CE1 38.7 17.2 35.3 29 A 237 H NE2
38.2 18.4 35.1 28 A 237 H C 43.4 19.5 37.5 22 A 237 H O 43.8 18.6
38.2 21 A 238 I N 44.3 20.4 36.9 21 A 238 I CA 45.7 20.4 37.2 20 A
238 I CB 46.4 21.4 36.4 22 A 238 I CG2 47.9 21.4 36.7 20 A 238 I
CG1 46.2 21.2 34.9 21 A 238 I CD1 46.8 22.3 34.0 19 A 238 I C 46.0
20.6 38.7 23 A 238 I O 46.7 19.8 39.3 20 A 239 L N 45.4 21.6 39.3
22 A 239 L CA 45.6 21.9 40.7 21 A 239 L CB 45.1 23.3 41.1 21 A 239
L CG 45.8 24.4 40.4 22 A 239 L CD1 45.3 25.7 40.9 22 A 239 L CD2
47.3 24.3 40.5 23 A 239 L C 45.0 20.8 41.6 23 A 239 L O 45.4 20.6
42.7 23 A 240 G N 43.9 20.2 41.1 22 A 240 G CA 43.3 19.1 41.8 24 A
240 G C 44.2 17.9 42.1 25 A 240 G O 44.0 17.2 43.1 26 A 241 I N
45.1 17.7 41.2 24 A 241 I CA 46.1 16.6 41.3 22 A 241 I CB 46.3 15.9
40.0 22 A 241 I CG2 47.6 15.1 40.0 19 A 241 I CG1 45.1 15.0 39.7 23
A 241 I CD1 45.1 14.3 38.4 27 A 241 I C 47.4 17.1 41.9 22 A 241 I O
48.0 16.4 42.8 21 A 242 L N 47.9 18.2 41.4 21 A 242 L CA 49.2 18.7
41.9 21 A 242 L CB 49.8 19.7 40.9 21 A 242 L CG 50.9 19.3 40.0 21 A
242 L CD1 50.5 18.0 39.3 20 A 242 L CD2 51.2 20.4 39.0 17 A 242 L C
49.1 19.4 43.3 22 A 242 L O 50.1 19.5 44.0 21 A 243 G N 47.9 19.8
43.7 23 A 243 G CA 47.7 20.4 45.0 23 A 243 G C 48.1 21.9 44.8 25 A
243 G O 48.5 22.4 43.8 25 A 244 S N 47.9 22.6 45.9 25 A 244 S CA
48.2 24.1 46.0 25 A 244 S CB 47.9 24.6 47.3 26 A 244 S OG 46.5 24.4
47.7 24 A 244 S C 49.7 24.3 45.7 25 A 244 S O 50.6 23.6 46.1 25 A
245 P N 50.0 25.4 44.9 26 A 245 P CD 49.0 26.1 44.1 26 A 245 P CA
51.4 25.7 44.5 25 A 245 P CB 51.2 26.8 43.5 25 A 245 P CG 49.9 26.5
42.9 27 A 245 P C 52.1 26.3 45.8 25 A 245 P O 51.6 27.0 46.6 21 A
246 S N 53.4 25.9 45.9 26 A 246 S CA 54.3 26.3 47.0 27 A 246 S CB
55.6 25.7 46.9 26 A 246 S OG 56.3 26.2 45.8 26 A 246 S C 54.4 27.8
47.0 27 A 246 S O 54.1 28.5 45.9 27 A 247 Q N 54.9 28.4 48.1 29 A
247 Q CA 55.0 29.8 48.1 33 A 247 Q CB 55.4 30.3 49.5 36 A 247 Q CG
55.7 31.8 49.7 40 A 247 Q CD 55.8 32.2 51.2 44 A 247 Q OE1 54.8
32.1 51.9 45 A 247 Q NE2 56.9 32.7 51.6 45 A 247 Q C 56.1 30.3 47.1
33 A 247 Q O 55.9 31.4 46.5 33 A 248 E N 57.2 29.6 47.0 34 A 248 E
CA 58.2 29.9 46.0 36 A 248 E CB 59.4 29.0 46.1 40 A 248 E CG 60.5
29.3 45.1 44 A 248 E CD 61.7 28.5 45.4 47 A 248 E OE1 61.7 27.3
45.1 48 A 248 E OE2 62.8 29.1 45.8 51 A 248 E C 57.6 30.0 44.6 37 A
248 E O 58.0 30.8 43.8 37 A 249 D N 56.7 29.0 44.3 35 A 249 D CA
56.1 28.9 43.0 33 A 249 D CB 55.4 27.6 42.8 34 A 249 D CG 56.4 26.5
42.5 33 A 249 D OD1 57.6 26.8 42.5 32 A 249 D OD2 56.0 25.4 42.2 34
A 249 D C 55.1 30.1 42.8 33 A 249 D O 55.0 30.6 41.7 31 A 250 L N
54.5 30.5 43.9 34 A 250 L CA 53.5 31.6 43.8 36 A 250 L CB 52.7 31.7
45.1 37 A 250 L CG 51.3 31.1 45.1 38 A 250 L CD1 50.6 31.3 46.4 39
A 250 L CD2 50.5 31.7 44.0 39 A 250 L C 54.3 32.9 43.6 37 A 250 L O
53.8 33.8 42.9 37 A 251 N N 55.5 33.0 44.1 38 A 251 N CA 56.3 34.2
44.0 40 A 251 N CB 57.4 34.2 45.0 43 A 251 N CG 57.0 34.6 46.4 44 A
251 N OD1 56.3 35.5 46.6 46 A 251 N ND2 57.4 33.8 47.4 46 A 251 N C
56.9 34.3 42.5 40 A 251 N O 57.2 35.4 42.1 39 A 252 C N 56.9 33.1
41.8 40 A 252 C CA 57.4 33.1 40.5 40 A 252 C CB 57.9 31.7 40.1 40 A
252 C SG 59.6 31.4 40.8 46 A 252 C C 56.3 33.5 39.5 37 A 252 C O
56.5 33.7 38.3 36 A 253 I N 55.1 33.7 40.1 36 A 253 I CA 54.0 34.1
39.3 37 A 253 I CB 52.6 33.7 40.0 37 A 253 I CG2 51.7 34.9 40.2 36
A 253 I CG1 51.9 32.6 39.1 39 A 253 I CD1 52.7 31.3 39.0 37 A 253 I
C 54.1 35.7 39.3 38 A 253 I O 54.1 36.3 40.4 40 A 254 I N 54.2 36.3
38.1 36 A 254 I CA 54.4 37.7 38.1 35 A 254 I CB 55.2 38.2 36.9 40 A
254 I CG2 56.6 37.6 36.9 44 A 254 I CG1 54.5 37.8 35.6 41 A 254 I
CD1 55.1 38.5 34.3 44 A 254 I C 53.1 38.5 38.0 30 A 254 I O 53.0
39.7 38.4 29 A 255 N N 52.0 37.8 37.6 26 A 255 N CA 50.7 38.5 37.5
25 A 255 N CB 49.8 37.8 36.5 23 A 255 N CG 50.2 38.0 35.0 24 A 255
N OD1 50.7 39.1 34.7 23 A 255 N ND2 50.0 37.0 34.2 24 A 255 N C
50.0 38.7 38.8 23 A 255 N O 49.9 37.7 39.6 20 A 256 L N 49.6 39.9
39.1 23 A 256 L CA 48.9 40.2 40.3 23 A 256 L CB 48.5 41.7 40.3 23 A
256 L CG 47.5 42.2 41.3 24 A 256 L CD1 48.1 42.0 42.7 21 A 256 L
CD2 47.2 43.7 41.1 24 A 256 L C 47.6 39.4 40.4 22 A 256 L O 47.3
38.8 41.4 20 A 257 K N 46.9 39.3 39.2 21 A
257 K CA 45.6 38.6 39.2 21 A 257 K CB 45.0 38.8 37.8 22 A 257 K CG
44.4 40.2 37.6 28 A 257 K CD 43.8 40.4 36.2 27 A 257 K CE 43.0 41.6
36.0 30 A 257 K NZ 42.4 41.7 34.7 27 A 257 K C 45.8 37.1 39.4 20 A
257 K O 45.0 36.4 40.0 19 A 258 A N 46.9 36.5 38.8 17 A 258 A CA
47.2 35.1 38.9 19 A 258 A CB 48.3 34.7 38.0 18 A 258 A C 47.5 34.8
40.4 20 A 258 A O 47.1 33.8 41.0 20 A 259 R N 48.3 35.7 41.0 20 A
259 R CA 48.7 35.5 42.4 22 A 259 R CB 49.7 36.6 42.8 25 A 259 R CG
49.9 36.6 44.3 32 A 259 R CD 50.9 37.7 44.7 40 A 259 R NE 52.2 37.5
44.0 46 A 259 R CZ 53.1 36.6 44.3 49 A 259 R NH1 52.9 35.8 45.4 51
A 259 R NH2 54.2 36.5 43.6 51 A 259 R C 47.5 35.5 43.3 20 A 259 R O
47.3 34.7 44.2 21 A 260 N N 46.6 36.5 43.1 18 A 260 N CA 45.4 36.7
43.9 19 A 260 N CB 44.7 38.0 43.5 19 A 260 N CG 45.4 39.3 44.0 21 A
260 N OD1 46.1 39.2 44.9 20 A 260 N ND2 45.0 40.4 43.4 20 A 260 N C
44.5 35.5 43.8 18 A 260 N O 44.0 35.0 44.8 17 A 261 Y N 44.3 35.0
42.5 19 A 261 Y CA 43.4 33.9 42.3 19 A 261 Y CB 43.4 33.5 40.8 20 A
261 Y CG 42.6 32.2 40.6 21 A 261 Y CD1 41.2 32.2 40.8 20 A 261 Y
CE1 40.5 31.0 40.6 24 A 261 Y CD2 43.2 31.1 40.1 20 A 261 Y CE2
42.5 29.9 39.8 24 A 261 Y CZ 41.2 29.9 40.1 24 A 261 Y OH 40.4 28.7
39.9 26 A 261 Y C 43.9 32.6 43.1 18 A 261 Y O 43.2 32.0 43.9 18 A
262 L N 45.2 32.3 42.9 18 A 262 L CA 45.8 31.2 43.6 20 A 262 L CB
47.2 30.9 43.2 19 A 262 L CG 47.4 30.6 41.7 20 A 262 L CD1 48.9
30.5 41.3 19 A 262 L CD2 46.7 29.3 41.4 21 A 262 L C 45.7 31.3 45.1
20 A 262 L O 45.4 30.3 45.8 20 A 263 L N 46.0 32.5 45.7 21 A 263 L
CA 45.9 32.7 47.1 22 A 263 L CB 46.5 34.1 47.5 22 A 263 L CG 48.0
34.3 47.3 25 A 263 L CD1 48.3 35.8 47.6 24 A 263 L CD2 48.8 33.4
48.3 25 A 263 L C 44.5 32.6 47.7 21 A 263 L O 44.3 32.3 48.8 21 A
264 S N 43.5 32.8 46.8 21 A 264 S CA 42.1 32.7 47.2 20 A 264 S CB
41.2 33.5 46.2 21 A 264 S OG 41.0 32.8 45.0 17 A 264 S C 41.6 31.3
47.3 21 A 264 S O 40.5 31.1 47.8 20 A 265 L N 42.3 30.3 46.7 21 A
265 L CA 41.8 28.9 46.7 22 A 265 L CB 42.5 28.2 45.6 22 A 265 L CG
42.2 28.7 44.2 22 A 265 L CD1 43.0 27.9 43.1 19 A 265 L CD2 40.7
28.6 43.9 21 A 265 L C 42.1 28.2 48.0 23 A 265 L O 43.1 28.5 48.7
23 A 266 P N 41.2 27.3 48.4 24 A 266 P CD 39.9 27.0 47.8 24 A 266 P
CA 41.4 26.5 49.6 25 A 266 P CB 40.1 25.7 49.7 25 A 266 P CG 39.1
26.5 48.9 27 A 266 P C 42.6 25.6 49.4 26 A 266 P O 42.9 25.2 48.3
25 A 267 H N 43.3 25.4 50.5 28 A 267 H CA 44.5 24.6 50.4 30 A 267 H
CB 45.2 24.4 51.8 33 A 267 H CG 46.4 23.5 51.7 35 A 267 H CD2 47.3
23.3 50.8 36 A 267 H ND1 46.8 22.8 52.8 37 A 267 H CE1 47.8 22.1
52.5 38 A 267 H NE2 48.2 22.3 51.3 37 A 267 H C 44.2 23.2 49.9 30 A
267 H O 43.2 22.6 50.4 30 A 268 K N 44.9 22.7 48.9 30 A 268 K CA
44.7 21.3 48.4 32 A 268 K CB 44.1 21.5 46.9 35 A 268 K CG 43.8 20.2
46.2 39 A 268 K CD 42.6 19.5 46.8 40 A 268 K CE 42.3 18.2 46.1 42 A
268 K NZ 43.5 17.2 46.1 40 A 268 K C 46.0 20.5 48.4 32 A 268 K O
47.0 21.0 47.9 32 A 269 N N 45.9 19.3 48.9 32 A 269 N CA 47.1 18.5
48.9 33 A 269 N CB 47.1 17.5 50.1 36 A 269 N CG 47.5 18.1 51.4 37 A
269 N OD1 48.6 18.7 51.6 38 A 269 N ND2 46.5 18.1 52.4 39 A 269 N C
47.4 17.7 47.6 32 A 269 N O 46.5 17.3 46.9 29 A 270 K N 48.7 17.5
47.4 33 A 270 K CA 49.1 16.8 46.2 35 A 270 K CB 50.6 16.7 46.1 36 A
270 K CG 51.2 16.0 44.9 38 A 270 K CD 52.7 15.9 44.9 40 A 270 K CE
53.2 15.3 43.6 41 A 270 K NZ 52.9 16.1 42.4 41 A 270 K C 48.5 15.3
46.2 35 A 270 K O 48.5 14.7 47.3 35 A 271 V N 48.1 14.8 45.1 36 A
271 V CA 47.6 13.4 45.0 36 A 271 V CB 46.5 13.3 44.0 36 A 271 V CG1
46.1 11.9 43.8 37 A 271 V CG2 45.2 14.1 44.5 37 A 271 V C 48.8 12.6
44.5 36 A 271 V O 49.3 12.8 43.4 36 A 272 P N 49.2 11.6 45.3 35 A
272 P CD 48.5 11.2 46.6 35 A 272 P CA 50.3 10.7 44.9 33 A 272 P CB
50.2 9.6 46.0 35 A 272 P CG 49.6 10.3 47.2 36 A 272 P C 50.1 10.1
43.5 32 A 272 P O 49.1 9.6 43.1 31 A 273 W N 51.2 10.1 42.8 30 A
273 W CA 51.2 9.5 41.5 29 A 273 W CB 52.5 9.8 40.7 28 A 273 W CG
52.8 11.2 40.5 27 A 273 W CD2 52.0 12.1 39.6 25 A 273 W CE2 52.7
13.4 39.7 26 A 273 W CE3 50.9 11.9 38.8 25 A 273 W CD1 53.8 12.0
41.0 27 A 273 W NE1 53.7 13.3 40.5 26 A 273 W CZ2 52.2 14.5 39.0 26
A 273 W CZ3 50.4 13.0 38.1 28 A 273 W CH2 51.0 14.3 38.2 27 A 273 W
C 50.9 8.0 41.5 29 A 273 W O 50.2 7.5 40.6 28 A 274 N N 51.4 7.3
42.5 30 A 274 N CA 51.2 5.9 42.6 33 A 274 N CB 52.1 5.2 43.6 37 A
274 N CG 52.1 5.9 45.0 42 A 274 N OD1 51.0 6.0 45.6 44 A 274 N ND2
53.2 6.3 45.5 46 A 274 N C 49.7 5.6 43.0 33 A 274 N O 49.3 4.4 42.9
34 A 275 R N 49.0 6.6 43.5 33 A 275 R CA 47.6 6.3 43.8 33 A 275 R
CB 47.1 7.3 44.9 37 A 275 R CG 47.6 6.9 46.3 43 A 275 R CD 47.2 8.0
47.3 49 A 275 R NE 45.8 8.2 47.3 53 A 275 R CZ 45.2 9.0 48.2 55 A
275 R NH1 45.9 9.7 49.1 55 A 275 R NH2 43.8 9.2 48.1 56 A 275 R C
46.7 6.5 42.5 32 A 275 R O 45.7 5.8 42.3 31 A 276 L N 47.2 7.4 41.6
30 A 276 L CA 46.5 7.6 40.4 30 A 276 L CB 46.9 8.9 39.7 31 A 276 L
CG 46.3 10.2 40.3 34 A 276 L CD1 46.9 11.4 39.6 35 A 276 L CD2 44.8
10.2 40.1 35 A 276 L C 46.9 6.5 39.4 27 A 276 L O 46.0 6.0 38.6 27
A 277 F N 48.1 6.0 39.5 28 A 277 F CA 48.6 5.0 38.6 28 A 277 F CB
49.7 5.6 37.6 27 A 277 F CG 49.1 6.8 36.9 26 A 277 F CD1 48.2 6.6
35.8 27 A 277 F CD2 49.6 8.1 37.2 26 A 277 F CE1 47.7 7.7 35.1 28 A
277 F CE2 49.1 9.2 36.4 27 A 277 F CZ 48.1 8.9 35.4 26 A 277 F C
49.3 3.9 39.5 29 A 277 F O 50.5 3.8 39.6 29 A 278 P N 48.5 3.1 40.2
31 A 278 P CD 47.0 3.1 40.1 31 A 278 P CA 49.0 2.0 41.0 31 A 278 P
CB 47.7 1.5 41.7 32 A 278 P CG 46.7 1.7 40.7 31 A 278 P C 49.7 0.9
40.4 32 A 278 P O 50.5 0.2 41.0 34 A 279 N N 49.5 0.7 39.1 33 A 279
N CA 50.2 -0.4 38.4 33 A 279 N CB 49.2 -1.2 37.5 34 A 279 N CG 48.0
-1.7 38.3 33 A 279 N OD1 46.9 -1.6 37.9 35 A 279 N ND2 48.3 -2.2
39.5 32 A 279 N C 51.4 0.1 37.5 32 A 279 N O 52.0 -0.7 36.8 31 A
280 A N 51.6 1.4 37.5 31 A 280 A CA 52.7 2.0 36.7 30 A 280 A CB
52.5 3.5 36.5 28 A 280 A C 54.1 1.8 37.3 29 A 280 A O 54.3 1.7 38.5
28 A 281 D N 55.1 1.7 36.4 29 A 281 D CA 56.5 1.6 36.8 29 A 281 D
CB 57.4 1.5 35.5 32 A 281 D CG 58.8 1.3 35.8 35 A 281 D OD1 59.4
2.0 36.6 38 A 281 D OD2 59.4 0.3 35.2 39 A 281 D C 56.9 2.8 37.6 28
A 281 D O 56.5 3.9 37.3 28 A 282 S N 57.6 2.6 38.7 26 A 282 S CA
57.9 3.7 39.6 28 A 282 S CB 58.5 3.2 40.9 28 A 282 S OG 59.8 2.6
40.7 34 A 282 S C 58.9 4.7 38.9 27 A 282 S O 58.9 5.9 39.3 26 A 283
K N 59.7 4.2 38.0 27 A 283 K CA 60.6 5.2 37.3 25 A 283 K CB 61.7
4.4 36.5 27 A 283 K CG 62.8 3.8 37.4 29 A 283 K CD 63.8 3.0 36.7 32
A 283 K CE 64.8 2.4 37.6 34 A 283 K NZ 65.8 1.5 37.0 35 A 283 K C
59.8 6.0 36.4 22 A 283 K O 60.1 7.2 36.2 21 A 284 A N 58.7 5.5 35.8
22 A 284 A CA 57.9 6.2 34.9 22 A 284 A CB 56.8 5.3 34.2 21 A 284 A
C 57.2 7.3 35.7 22 A 284 A O 57.0 8.5 35.2 22 A 285 L N 56.7 7.0
36.9 21 A 285 L CA 56.0 8.0 37.7 21 A 285 L CB 55.3 7.3 38.9 23 A
285 L CG 54.2 6.3 38.6 22 A 285 L CD1 53.6 5.9 39.9 23 A 285 L CD2
53.2 6.9 37.6 22 A 285 L C 57.0 9.1 38.2 21 A 285 L O 56.6 10.2
38.4 23 A 286 D N 58.2 8.7 38.4 21 A 286 D CA 59.2 9.7 38.8 21 A
286 D CB 60.5 9.1 39.2 22 A 286 D CG 61.5 10.1 39.7 26 A 286 D OD1
62.4 10.5 38.9 25 A 286 D OD2 61.4 10.5 40.9 31 A 286 D C 59.5 10.7
37.6 20 A 286 D O 59.6 11.9 37.9 21 A 287 L N 59.6 10.2 36.4 21 A
287 L CA 59.8 11.1 35.3 21 A 287 L CB 60.1 10.2 34.0 18 A 287 L CG
60.3 10.9 32.7 20 A
287 L CD1 61.3 12.1 32.9 17 A 287 L CD2 60.8 10.0 31.6 19 A 287 L C
58.5 11.9 35.0 20 A 287 L O 58.5 13.1 34.8 22 A 288 L N 57.3 11.2
35.2 20 A 288 L CA 56.0 11.9 35.0 19 A 288 L CB 54.9 10.9 35.3 19 A
288 L CG 53.4 11.5 35.2 19 A 288 L CD1 53.2 12.0 33.8 15 A 288 L
CD2 52.4 10.4 35.6 20 A 288 L C 55.9 13.1 36.0 20 A 288 L O 55.5
14.2 35.6 20 A 289 D N 56.4 12.9 37.2 19 A 289 D CA 56.4 13.9 38.2
19 A 289 D CB 56.9 13.4 39.6 20 A 289 D CG 56.9 14.4 40.7 21 A 289
D OD1 55.8 14.8 41.1 24 A 289 D OD2 58.0 14.8 41.1 23 A 289 D C
57.2 15.1 37.8 18 A 289 D O 56.8 16.3 38.0 17 A 290 K N 58.3 14.9
37.2 18 A 290 K CA 59.2 15.9 36.8 19 A 290 K CB 60.6 15.4 36.5 18 A
290 K CG 61.4 14.9 37.8 20 A 290 K CD 62.7 14.3 37.4 24 A 290 K CE
63.6 14.2 38.7 27 A 290 K NZ 63.0 13.4 39.8 28 A 290 K C 58.7 16.7
35.5 19 A 290 K O 59.0 17.9 35.4 21 A 291 M N 58.0 16.0 34.7 19 A
291 M CA 57.4 16.7 33.5 19 A 291 M CB 57.1 15.6 32.4 18 A 291 M CG
58.2 14.8 31.9 22 A 291 M SD 57.8 13.6 30.7 26 A 291 M CE 58.5 14.3
29.3 28 A 291 M C 56.2 17.5 33.8 19 A 291 M O 55.9 18.5 33.2 18 A
292 L N 55.4 17.0 34.8 19 A 292 L CA 54.2 17.7 35.2 19 A 292 L CB
53.1 16.7 35.5 19 A 292 L CG 52.7 15.9 34.2 16 A 292 L CD1 51.5
15.0 34.5 16 A 292 L CD2 52.4 16.9 33.1 16 A 292 L C 54.5 18.5 36.5
20 A 292 L O 53.7 18.5 37.4 22 A 293 T N 55.6 19.3 36.4 20 A 293 T
CA 56.0 20.1 37.5 20 A 293 T CB 57.5 20.3 37.6 23 A 293 T OG1 58.1
19.1 38.0 26 A 293 T CG2 57.9 21.5 38.5 24 A 293 T C 55.3 21.5 37.3
19 A 293 T O 55.3 22.0 36.2 17 A 294 F N 54.7 22.0 38.3 18 A 294 F
CA 53.9 23.3 38.2 19 A 294 F CB 53.3 23.7 39.6 19 A 294 F CG 52.5
24.9 39.6 20 A 294 F CD1 51.2 24.9 39.1 20 A 294 F CD2 53.0 26.2
39.9 20 A 294 F CE1 50.4 26.0 39.0 22 A 294 F CE2 52.2 27.3 39.8 20
A 294 F CZ 50.9 27.3 39.4 21 A 294 F C 54.7 24.5 37.7 19 A 294 F O
54.3 25.1 36.7 18 A 295 N N 55.8 24.7 38.3 20 A 295 N CA 56.7 25.8
37.9 19 A 295 N CB 57.7 26.2 39.0 22 A 295 N CG 58.4 27.5 38.8 26 A
295 N OD1 58.7 27.8 37.7 25 A 295 N ND2 58.8 28.1 39.9 26 A 295 N C
57.5 25.4 36.6 21 A 295 N O 58.3 24.5 36.7 19 A 296 P N 57.3 26.1
35.5 19 A 296 P CD 56.3 27.2 35.3 21 A 296 P CA 58.0 25.8 34.3 22 A
296 P CB 57.4 26.8 33.3 19 A 296 P CG 56.9 27.9 34.1 21 A 296 P C
59.5 25.9 34.4 22 A 296 P O 60.3 25.2 33.7 22 A 297 H N 60.0 26.8
35.3 23 A 297 H CA 61.5 26.9 35.5 25 A 297 H CB 61.8 28.2 36.3 28 A
297 H CG 61.2 29.4 35.7 32 A 297 H CD2 61.6 30.1 34.6 33 A 297 H
ND1 60.1 30.1 36.1 34 A 297 H CE1 59.8 31.1 35.3 34 A 297 H NE2
60.7 31.2 34.4 35 A 297 H C 62.1 25.7 36.2 26 A 297 H O 63.3 25.5
36.1 26 A 298 K N 61.2 25.0 36.9 24 A 298 K CA 61.7 23.8 37.6 26 A
298 K CB 61.0 23.7 39.0 26 A 298 K CG 61.4 24.8 39.9 29 A 298 K CD
60.6 24.6 41.2 33 A 298 K CE 61.0 25.7 42.2 36 A 298 K NZ 60.0 25.6
43.4 36 A 298 K C 61.4 22.5 36.8 24 A 298 K O 61.9 21.4 37.1 26 A
299 R N 60.6 22.6 35.8 23 A 299 R CA 60.2 21.5 35.0 22 A 299 R CB
59.1 21.9 34.0 20 A 299 R CG 58.4 20.8 33.3 19 A 299 R CD 57.2 21.3
32.5 18 A 299 R NE 56.3 22.1 33.4 15 A 299 R CZ 55.5 23.1 33.0 16 A
299 R NH1 55.5 23.5 31.8 14 A 299 R NH2 54.8 23.7 33.9 18 A 299 R C
61.4 20.9 34.2 22 A 299 R O 62.2 21.7 33.7 22 A 300 I N 61.5 19.6
34.1 22 A 300 I CA 62.6 18.9 33.4 22 A 300 I CB 62.4 17.4 33.6 21 A
300 I CG2 61.2 16.9 32.9 21 A 300 I CG1 63.7 16.7 33.1 21 A 300 I
CD1 63.7 15.2 33.5 20 A 300 I C 62.6 19.3 31.9 21 A 300 I O 61.6
19.5 31.3 18 A 301 E N 63.9 19.4 31.4 20 A 301 E CA 64.0 19.8 30.0
20 A 301 E CB 65.2 20.7 29.8 23 A 301 E CG 65.1 22.1 30.4 26 A 301
E CD 66.1 23.1 29.9 28 A 301 E OE1 67.0 22.7 29.0 30 A 301 E OE2
66.1 24.2 30.4 33 A 301 E C 64.2 18.5 29.2 18 A 301 E O 64.4 17.4
29.7 16 A 302 V N 64.0 18.6 27.8 18 A 302 V CA 64.1 17.4 27.0 17 A
302 V CB 63.8 17.7 25.5 20 A 302 V CG1 65.0 18.4 24.9 19 A 302 V
CG2 63.4 16.5 24.8 18 A 302 V C 65.3 16.5 27.1 17 A 302 V O 65.2
15.3 27.2 17 A 303 E N 66.5 17.1 27.2 18 A 303 E CA 67.7 16.3 27.3
19 A 303 E CB 68.9 17.2 27.1 24 A 303 E CG 69.0 17.8 25.7 28 A 303
E CD 70.2 18.8 25.6 30 A 303 E OE1 70.2 19.8 26.4 32 A 303 E OE2
71.0 18.6 24.7 33 A 303 E C 67.8 15.6 28.6 19 A 303 E O 68.2 14.4
28.7 20 A 304 Q N 67.3 16.2 29.7 21 A 304 Q CA 67.3 15.6 31.0 20 A
304 Q CB 66.8 16.7 32.1 23 A 304 Q CG 67.8 17.8 32.4 24 A 304 Q CD
67.2 18.8 33.3 27 A 304 Q OE1 66.3 19.6 33.0 23 A 304 Q NE2 67.7
18.7 34.6 25 A 304 Q C 66.3 14.5 31.0 19 A 304 Q O 66.5 13.4 31.7
19 A 305 A N 65.1 14.7 30.4 19 A 305 A CA 64.1 13.6 30.3 17 A 305 A
CB 62.9 14.2 29.6 17 A 305 A C 64.7 12.4 29.6 17 A 305 A O 64.5
11.3 30.1 18 A 306 L N 65.4 12.6 28.5 17 A 306 L CA 65.9 11.5 27.8
16 A 306 L CB 66.7 12.0 26.5 16 A 306 L CG 65.8 12.3 25.3 16 A 306
L CD1 66.5 13.2 24.3 13 A 306 L CD2 65.4 10.9 24.7 14 A 306 L C
67.0 10.7 28.7 19 A 306 L O 67.2 9.5 28.5 19 A 307 A N 67.6 11.4
29.6 18 A 307 A CA 68.6 10.9 30.5 18 A 307 A CB 69.7 12.0 30.8 16 A
307 A C 68.1 10.3 31.8 21 A 307 A O 68.8 9.8 32.6 20 A 308 H N 66.8
10.4 31.9 20 A 308 H CA 66.1 9.9 33.1 20 A 308 H CB 64.6 10.3 33.1
21 A 308 H CG 63.9 9.9 34.4 21 A 308 H CD2 63.7 10.7 35.5 21 A 308
H ND1 63.5 8.7 34.7 20 A 308 H CE1 62.9 8.7 35.9 22 A 308 H NE2
63.0 9.9 36.4 22 A 308 H C 66.2 8.3 33.2 21 A 308 H O 66.3 7.7 32.1
21 A 309 P N 66.4 7.7 34.4 22 A 309 P CD 66.5 8.4 35.7 24 A 309 P
CA 66.5 6.3 34.5 22 A 309 P CB 66.5 6.1 36.0 24 A 309 P CG 67.2 7.3
36.5 24 A 309 P C 65.4 5.4 33.8 22 A 309 P O 65.6 4.3 33.4 21 A 310
Y N 64.2 6.0 33.7 21 A 310 Y CA 63.1 5.3 33.0 20 A 310 Y CB 61.8
6.1 33.1 20 A 310 Y CG 60.6 5.4 32.4 21 A 310 Y CD1 60.2 4.1 32.9
19 A 310 Y CE1 59.1 3.4 32.3 20 A 310 Y CD2 59.9 5.9 31.3 19 A 310
Y CE2 58.9 5.2 30.7 20 A 310 Y CZ 58.5 4.0 31.2 20 A 310 Y OH 57.4
3.3 30.6 19 A 310 Y C 63.5 4.9 31.6 19 A 310 Y O 63.0 3.9 31.1 18 A
311 L N 64.2 5.8 30.9 20 A 311 L CA 64.6 5.6 29.5 21 A 311 L CB
64.3 6.9 28.7 21 A 311 L CG 62.9 7.5 28.7 23 A 311 L CD1 62.9 8.8
28.0 25 A 311 L CD2 62.0 6.5 28.0 23 A 311 L C 66.0 5.1 29.3 22 A
311 L O 66.5 5.1 28.2 22 A 312 E N 66.7 4.7 30.4 24 A 312 E CA 68.1
4.3 30.3 27 A 312 E CB 68.6 3.9 31.7 28 A 312 E CG 67.9 2.7 32.2 34
A 312 E CD 68.2 2.4 33.7 39 A 312 E OE1 69.4 2.4 34.0 39 A 312 E
OE2 67.3 2.3 34.5 40 A 312 E C 68.5 3.3 29.3 26 A 312 E O 69.6 3.2
28.8 26 A 313 Q N 67.5 2.4 28.9 26 A 313 Q CA 67.8 1.4 27.9 27 A
313 Q CB 66.8 0.2 28.0 29 A 313 Q CG 65.4 0.6 27.6 32 A 313 Q CD
64.4 -0.5 27.8 35 A 313 Q OE1 64.5 -1.5 27.2 36 A 313 Q NE2 63.5
-0.3 28.8 34 A 313 Q C 67.9 1.9 26.5 26 A 313 Q O 68.4 1.2 25.6 26
A 314 Y N 67.3 3.1 26.3 25 A 314 Y CA 67.3 3.6 24.9 24 A 314 Y CB
65.9 4.0 24.5 23 A 314 Y CG 65.0 2.9 24.4 24 A 314 Y CD1 65.2 1.9
23.5 23 A 314 Y CE1 64.4 0.7 23.4 27 A 314 Y CD2 63.9 2.8 25.2 22 A
314 Y CE2 63.0 1.6 25.1 23 A 314 Y CZ 63.3 0.6 24.2 24 A 314 Y OH
62.5 -0.5 24.1 25 A 314 Y C 68.2 4.9 24.8 21 A 314 Y O 68.7 5.2
23.8 21 A 315 Y N 68.5 5.5 26.0 21 A 315 Y CA 69.3 6.7 26.0 20 A
315 Y CB 69.5 7.1 27.4 21 A 315 Y CG 70.3 8.4 27.6 22 A 315 Y CD1
70.0 9.5 26.8 22 A 315 Y CE1 70.6 10.8 27.0 23 A 315 Y CD2 71.2 8.6
28.6 23 A 315 Y CE2 71.9 9.9 28.8 22 A 315 Y CZ 71.5 10.9 28.0 22 A
315 Y OH 72.1 12.1 28.2 23 A 315 Y C 70.7 6.5 25.3 19 A 315 Y O
71.4 5.6 25.7 17 A 316 D N 70.9 7.3 24.3 20 A 316 D CA 72.2 7.3
23.5 20 A 316 D CB 72.2 6.2 22.5 20 A 316 D CG 73.5 6.2 21.7 22
A
316 D OD1 74.4 6.9 22.0 20 A 316 D OD2 73.6 5.4 20.7 21 A 316 D C
72.3 8.7 22.8 21 A 316 D O 71.8 8.8 21.7 18 A 317 P N 72.9 9.7 23.5
21 A 317 P CD 73.6 9.6 24.8 19 A 317 P CA 73.1 11.0 22.9 21 A 317 P
CB 73.9 11.7 23.9 23 A 317 P CG 73.6 11.0 25.2 22 A 317 P C 73.7
11.1 21.5 21 A 317 P O 73.3 12.0 20.7 23 A 318 S N 74.5 10.1 21.2
21 A 318 S CA 75.2 10.1 19.9 20 A 318 S CB 76.4 9.2 19.9 19 A 318 S
OG 76.0 7.8 20.0 22 A 318 S C 74.2 9.6 18.8 21 A 318 S O 74.4 9.8
17.6 18 A 319 D N 73.1 9.0 19.3 20 A 319 D CA 72.0 8.6 18.3 19 A
319 D CB 71.8 7.1 18.5 19 A 319 D CG 70.9 6.5 17.4 22 A 319 D OD1
71.1 6.8 16.2 19 A 319 D OD2 70.1 5.6 17.7 20 A 319 D C 70.8 9.4
18.5 20 A 319 D O 69.6 8.9 18.2 21 A 320 E N 70.9 10.6 19.1 18 A
320 E CA 69.8 11.5 19.3 19 A 320 E CB 69.6 11.6 20.8 19 A 320 E CG
68.9 10.3 21.4 19 A 320 E CD 69.1 10.1 22.8 23 A 320 E OE1 69.6
11.1 23.5 23 A 320 E OE2 68.8 9.0 23.4 22 A 320 E C 70.3 12.8 18.7
19 A 320 E O 70.7 13.8 19.4 21 A 321 P N 70.2 12.9 17.4 19 A 321 P
CD 69.6 11.9 16.5 19 A 321 P CA 70.6 14.1 16.6 20 A 321 P CB 70.5
13.7 15.1 20 A 321 P CG 69.4 12.7 15.2 21 A 321 P C 69.9 15.4 16.9
21 A 321 P O 68.7 15.4 17.3 19 A 322 I N 70.6 16.5 16.7 21 A 322 I
CA 70.1 17.8 16.9 22 A 322 I CB 70.9 18.7 17.9 21 A 322 I CG2 70.9
18.0 19.3 21 A 322 I CG1 72.3 18.9 17.4 24 A 322 I CD1 73.1 19.9
18.2 25 A 322 I C 70.1 18.5 15.5 23 A 322 I O 70.8 18.1 14.6 22 A
323 A N 69.4 19.6 15.4 24 A 323 A CA 69.3 20.4 14.1 26 A 323 A CB
68.1 21.4 14.2 23 A 323 A C 70.6 21.1 13.8 27 A 323 A O 71.3 21.7
14.6 25 A 324 E N 70.9 21.1 12.5 31 A 324 E CA 72.1 21.7 11.9 36 A
324 E CB 72.4 21.2 10.6 39 A 324 E CG 73.3 22.2 9.7 47 A 324 E CD
73.7 21.6 8.4 51 A 324 E OE1 72.9 20.8 7.8 54 A 324 E OE2 74.8 21.9
7.9 52 A 324 E C 71.8 23.2 11.8 38 A 324 E O 72.5 24.1 12.3 38 A
325 A N 70.6 23.5 11.3 39 A 325 A CA 70.2 24.9 11.0 39 A 325 A CB
69.9 25.1 9.5 40 A 325 A C 69.0 25.3 11.8 38 A 325 A O 67.8 25.2
11.4 37 A 326 P N 69.2 25.8 13.1 37 A 326 P CD 70.4 25.7 13.8 38 A
326 P CA 68.1 26.2 14.0 37 A 326 P CB 68.8 26.5 15.3 36 A 326 P CG
70.0 25.6 15.2 38 A 326 P C 67.4 27.5 13.4 37 A 326 P O 68.1 28.3
12.7 34 A 327 F N 66.2 27.7 13.8 38 A 327 F CA 65.5 28.9 13.4 40 A
327 F CB 63.9 28.7 13.4 38 A 327 F CG 63.4 27.9 12.2 36 A 327 F CD1
63.0 28.6 11.1 36 A 327 F CD2 63.4 26.5 12.3 34 A 327 F CE1 62.6
27.9 10.0 35 A 327 F CE2 62.9 25.8 11.2 34 A 327 F CZ 62.5 26.5
10.0 36 A 327 F C 65.8 29.9 14.5 43 A 327 F O 65.1 30.2 15.4 43 A
328 K N 67.0 30.6 14.3 48 A 328 K CA 67.5 31.6 15.2 51 A 328 K CB
68.9 32.0 14.9 51 A 328 K CG 69.9 30.9 14.9 53 A 328 K CD 71.3 31.4
14.5 55 A 328 K CE 71.4 31.9 13.1 55 A 328 K NZ 71.0 30.9 12.1 55 A
328 K C 66.6 32.8 15.4 53 A 328 K O 66.5 33.3 16.5 54 A 329 F N
66.0 33.3 14.3 55 A 329 F CA 65.2 34.5 14.4 57 A 329 F CB 65.7 35.5
13.4 59 A 329 F CG 67.2 35.8 13.4 60 A 329 F CD1 68.0 35.0 12.7 61
A 329 F CD2 67.7 36.8 14.2 60 A 329 F CE1 69.4 35.2 12.8 61 A 329 F
CE2 69.1 37.0 14.3 61 A 329 F CZ 69.9 36.2 13.6 60 A 329 F C 63.7
34.2 14.1 57 A 329 F O 63.3 33.2 13.5 57 A 330 D N 62.8 35.1 14.6
59 A 330 D CA 61.4 34.9 14.5 60 A 330 D CB 60.6 36.0 15.3 60 A 330
D CG 61.0 35.9 16.8 61 A 330 D OD1 61.0 34.8 17.4 60 A 330 D OD2
61.4 37.0 17.3 61 A 330 D C 61.1 35.1 13.0 60 A 330 D O 61.7 35.9
12.3 59 A 331 M N 60.0 34.4 12.5 60 A 331 M CA 59.6 34.5 11.1 61 A
331 M CB 58.8 33.2 10.8 61 A 331 M CG 59.4 31.9 11.2 61 A 331 M SD
58.4 30.5 10.8 61 A 331 M CE 59.6 29.6 9.7 61 A 331 M C 58.7 35.7
10.9 61 A 331 M O 58.6 36.2 9.7 60 A 332 E N 58.2 36.3 11.9 61 A
332 E CA 57.3 37.5 11.9 61 A 332 E CB 58.2 38.7 11.8 62 A 332 E CG
59.0 38.8 10.6 64 A 332 E CD 60.4 39.4 10.9 65 A 332 E OE1 60.5
40.5 11.5 66 A 332 E OE2 61.4 38.8 10.5 66 A 332 E C 56.3 37.4 10.8
61 A 332 E O 56.4 38.1 9.8 61 A 333 L N 55.2 36.6 11.0 60 A 333 L
CA 54.1 36.4 10.0 60 A 333 L CB 54.0 34.9 9.7 58 A 333 L CG 55.2
34.1 9.4 55 A 333 L CD1 54.9 32.7 9.3 55 A 333 L CD2 55.8 34.6 8.0
54 A 333 L C 52.8 37.0 10.5 61 A 333 L O 51.8 37.0 9.7 61 A 334 D N
52.8 37.5 11.7 63 A 334 D CA 51.6 38.0 12.3 64 A 334 D CB 51.8 38.2
13.8 66 A 334 D CG 53.0 39.0 14.1 69 A 334 D OD1 54.1 38.5 13.8 70
A 334 D OD2 52.9 40.1 14.8 71 A 334 D C 51.1 39.3 11.7 63 A 334 D O
49.9 39.6 11.6 62 A 335 D N 52.0 40.1 11.3 62 A 335 D CA 51.7 41.4
10.6 61 A 335 D CB 52.7 42.5 11.0 64 A 335 D CG 54.1 42.1 10.7 65 A
335 D OD1 55.1 42.9 10.8 66 A 335 D OD2 54.3 40.9 10.3 64 A 335 D C
51.6 41.3 9.1 60 A 335 D O 51.8 42.4 8.4 60 A 336 L N 51.3 40.2 8.6
57 A 336 L CA 51.2 40.0 7.1 54 A 336 L CB 52.2 38.9 6.7 53 A 336 L
CG 53.7 39.1 7.0 53 A 336 L CD1 54.5 37.9 6.6 51 A 336 L CD2 54.2
40.3 6.4 53 A 336 L C 49.8 39.6 6.7 52 A 336 L O 49.2 38.7 7.2 52 A
337 P N 49.3 40.3 5.6 50 A 337 P CD 49.9 41.5 5.0 49 A 337 P CA
48.0 40.0 5.1 48 A 337 P CB 47.7 41.2 4.2 48 A 337 P CG 49.0 41.6
3.7 49 A 337 P C 48.0 38.7 4.4 46 A 337 P O 49.0 38.3 3.9 45 A 338
K N 46.8 38.1 4.3 45 A 338 K CA 46.7 36.8 3.6 45 A 338 K CB 45.3
36.2 3.6 46 A 338 K CG 44.2 37.2 3.0 45 A 338 K CD 42.9 36.5 3.0 48
A 338 K CE 41.8 37.5 2.6 50 A 338 K NZ 42.1 38.2 1.3 52 A 338 K C
47.2 36.8 2.2 45 A 338 K O 47.7 35.7 1.7 45 A 339 E N 47.2 37.9 1.5
44 A 339 E CA 47.7 38.0 0.1 43 A 339 E CB 47.3 39.3 -0.6 43 A 339 E
CG 45.9 39.6 -0.6 46 A 339 E CD 45.3 40.1 0.7 47 A 339 E OE1 45.8
41.0 1.3 47 A 339 E OE2 44.2 39.5 1.1 49 A 339 E C 49.2 37.8 0.1 42
A 339 E O 49.7 37.0 -0.7 41 A 340 K N 49.8 38.5 1.0 40 A 340 K CA
51.3 38.4 1.2 39 A 340 K CB 51.8 39.5 2.2 39 A 340 K CG 53.3 39.4
2.5 39 A 340 K CD 54.1 39.6 1.2 40 A 340 K CE 55.5 39.3 1.5 41 A
340 K NZ 56.3 39.3 0.2 45 A 340 K C 51.7 37.0 1.6 37 A 340 K O 52.7
36.5 1.2 37 A 341 L N 50.9 36.4 2.5 36 A 341 L CA 51.2 35.1 3.0 36
A 341 L CB 50.2 34.7 4.2 34 A 341 L CG 50.4 35.5 5.5 35 A 341 L CD1
49.4 35.2 6.5 33 A 341 L CD2 51.8 35.2 6.1 34 A 341 L C 51.1 34.1
1.9 35 A 341 L O 51.9 33.2 1.8 35 A 342 K N 50.1 34.3 1.0 34 A 342
K CA 49.9 33.4 -0.1 35 A 342 K CB 48.7 33.9 -0.9 36 A 342 K CG 48.3
32.9 -2.0 36 A 342 K CD 47.2 33.6 -2.9 39 A 342 K CE 46.4 32.5 -3.6
39 A 342 K NZ 47.2 31.6 -4.4 41 A 342 K C 51.1 33.4 -1.0 33 A 342 K
O 51.5 32.4 -1.5 34 A 343 E N 51.8 34.6 -1.1 34 A 343 E CA 53.0
34.7 -1.9 32 A 343 E CB 53.4 36.1 -2.1 36 A 343 E CG 52.4 37.0 -2.9
40 A 343 E CD 52.8 38.4 -2.9 42 A 343 E OE1 54.0 38.7 -3.0 43 A 343
E OE2 51.8 39.3 -2.7 45 A 343 E C 54.1 33.9 -1.3 32 A 343 E O 55.0
33.3 -2.0 31 A 344 L N 54.2 34.0 0.0 31 A 344 L CA 55.3 33.3 0.8 30
A 344 L CB 55.3 33.7 2.2 31 A 344 L CG 55.6 35.2 2.5 32 A 344 L CD1
55.3 35.6 3.9 33 A 344 L CD2 57.0 35.5 2.1 34 A 344 L C 55.1 31.8
0.6 27 A 344 L O 56.0 31.1 0.4 26 A 345 I N 53.8 31.4 0.7 27 A 345
I CA 53.5 30.0 0.5 27 A 345 I CB 52.0 29.8 0.8 26 A 345 I CG2 51.6
28.4 0.4 25 A 345 I CG1 51.8 29.9 2.4 28 A 345 I CD1 50.3 29.8 2.8
25 A 345 I C 53.8 29.5 -0.9 27 A 345 I O 54.3 28.4 -1.1 26 A 346 F
N 53.6 30.4 -1.9 27 A 346 F CA 53.9 30.1 -3.3 28 A 346 F CB 53.4
31.2 -4.2 29 A 346 F CG 53.6 30.9 -5.6 27 A 346 F CD1 52.7 30.0
-6.3 25 A 346 F CD2 54.6 31.5 -6.4 26 A 346 F CE1 52.9 29.7 -7.7 27
A 346 F CE2 54.7 31.2 -7.8 28 A 346 F CZ 53.9 30.4 -8.4 25 A 346 F
C 55.4 29.8 -3.4 28 A 346 F O 55.8 28.8 -3.9 29 A 347 E N 56.2 30.8
-3.0 31 A
347 E CA 57.6 30.8 -3.1 33 A 347 E CB 58.2 32.1 -2.6 37 A 347 E CG
57.6 33.3 -3.2 43 A 347 E CD 58.2 34.6 -2.7 46 A 347 E OE1 58.2
34.8 -1.4 46 A 347 E OE2 58.6 35.5 -3.5 48 A 347 E C 58.2 29.6 -2.3
33 A 347 E O 59.1 28.9 -2.8 33 A 348 E N 57.7 29.4 -1.1 32 A 348 E
CA 58.1 28.3 -0.2 32 A 348 E CB 57.4 28.4 1.1 34 A 348 E CG 58.1
27.7 2.3 35 A 348 E CD 59.5 28.2 2.6 37 A 348 E OE1 59.6 29.4 2.7
33 A 348 E OE2 60.4 27.4 2.8 39 A 348 E C 57.9 26.9 -0.8 33 A 348 E
O 58.7 25.9 -0.5 33 A 349 T N 56.9 26.7 -1.7 31 A 349 T CA 56.6
25.5 -2.3 30 A 349 T CB 55.1 25.3 -2.4 29 A 349 T OG1 54.5 26.4
-3.0 25 A 349 T CG2 54.5 25.2 -1.0 27 A 349 T C 57.2 25.3 -3.7 31 A
349 T O 57.0 24.3 -4.4 30 A 350 A N 57.8 26.4 -4.2 34 A 350 A CA
58.4 26.4 -5.6 37 A 350 A CB 59.1 27.7 -5.8 35 A 350 A C 59.4 25.2
-5.9 39 A 350 A O 59.4 24.7 -7.0 39 A 351 R N 60.2 24.8 -4.9 42 A
351 R CA 61.2 23.8 -5.1 43 A 351 R CB 62.0 23.6 -3.9 46 A 351 R CG
61.2 23.4 -2.6 50 A 351 R CD 62.0 22.9 -1.4 53 A 351 R NE 62.6 21.6
-1.7 58 A 351 R CZ 63.3 20.9 -0.8 59 A 351 R NH1 63.5 21.4 0.4 60 A
351 R NH2 63.8 19.7 -1.1 60 A 351 R C 60.6 22.4 -5.6 43 A 351 R O
61.4 21.6 -6.1 44 A 352 F N 59.3 22.2 -5.5 42 A 352 F CA 58.7 21.0
-5.9 42 A 352 F CB 57.7 20.6 -4.8 42 A 352 F CG 58.2 20.3 -3.5 42 A
352 F CD1 58.9 19.1 -3.3 42 A 352 F CD2 58.1 21.2 -2.4 41 A 352 F
CE1 59.5 18.8 -2.0 41 A 352 F CE2 58.7 20.9 -1.2 41 A 352 F CZ 59.3
19.7 -1.0 41 A 352 F C 58.1 21.0 -7.3 41 A 352 F O 57.5 20.0 -7.7
39 A 353 Q N 58.2 22.1 -8.0 43 A 353 Q CA 57.7 22.2 -9.3 47 A 353 Q
CB 57.4 23.7 -9.7 46 A 353 Q CG 56.3 24.3 -8.9 44 A 353 Q CD 55.0
23.7 -9.2 43 A 353 Q OE1 54.5 22.8 -8.4 43 A 353 Q NE2 54.3 24.1
-10.3 44 A 353 Q C 58.6 21.6 -10.3 50 A 353 Q O 59.8 21.8 -10.3 50
A 354 P N 58.0 20.8 -11.3 52 A 354 P CD 56.5 20.5 -11.4 53 A 354 P
CA 58.7 20.1 -12.3 54 A 354 P CB 57.7 19.6 -13.2 54 A 354 P CG 56.5
19.3 -12.3 54 A 354 P C 59.7 21.1 -13.0 55 A 354 P O 59.2 22.1
-13.5 56 A 355 G N 61.0 20.8 -13.0 57 A 355 G CA 61.9 21.6 -13.7 59
A 355 G C 63.3 21.6 -13.0 60 A 355 G O 64.3 21.3 -13.6 62 A 355 G
OXT 63.3 21.9 -11.8 62 A 1 O OH2 52.9 20.9 23.0 17 W 3 O OH2 65.7
21.9 26.1 20 W 4 O OH2 67.2 13.4 18.4 12 W 5 O OH2 46.5 13.3 29.1
18 W 6 O OH2 63.2 21.1 26.4 17 W 7 O OH2 51.3 22.6 27.4 16 W 8 O
OH2 61.7 14.6 9.1 19 W 9 O OH2 48.1 19.8 22.6 18 W 10 O OH2 60.4
17.0 8.7 20 W 11 O OH2 67.3 19.8 27.3 27 W 12 O OH2 46.5 27.9 -17.8
21 W 13 O OH2 45.3 15.8 30.0 18 W 14 O OH2 60.7 22.1 30.6 20 W 15 O
OH2 47.0 20.0 31.0 22 W 16 O OH2 45.2 25.6 -17.5 30 W 17 O OH2 62.5
28.1 25.7 21 W 18 O OH2 61.8 22.6 28.3 21 W 19 O OH2 62.2 24.1 32.3
23 W 20 O OH2 47.0 24.8 -6.5 19 W 21 O OH2 54.7 21.0 41.0 25 W 22 O
OH2 68.1 7.5 30.2 20 W 23 O OH2 54.5 24.0 43.8 27 W 24 O OH2 60.6
1.1 15.7 25 W 25 O OH2 44.8 13.7 20.8 26 W 26 O OH2 42.6 26.0 29.6
18 W 27 O OH2 49.0 28.0 -16.3 22 W 28 O OH2 56.2 27.5 29.9 17 W 29
O OH2 66.8 22.4 23.6 19 W 31 O OH2 56.9 23.4 40.8 23 W 32 O OH2
51.6 22.4 16.1 21 W 33 O OH2 40.9 22.5 22.9 26 W 34 O OH2 46.8 33.3
30.7 24 W 35 O OH2 61.6 18.7 37.3 23 W 36 O OH2 55.8 28.9 27.6 29 W
37 O OH2 54.7 23.0 -5.5 25 W 38 O OH2 52.7 20.6 -8.2 32 W 39 O OH2
51.9 22.9 -10.9 31 W 40 O OH2 60.7 17.2 5.2 31 W 42 O OH2 49.8 41.3
33.4 21 W 43 O OH2 50.5 23.2 42.1 26 W 44 O OH2 48.0 22.0 24.6 27 W
45 O OH2 42.7 26.9 -10.1 20 W 46 O OH2 64.8 2.1 30.0 24 W 47 O OH2
53.0 22.3 42.6 34 W 48 O OH2 52.6 18.9 43.1 39 W 49 O OH2 51.0 -3.7
25.0 30 W 50 O OH2 59.3 -6.0 28.9 19 W 51 O OH2 73.9 14.0 19.0 30 W
52 O OH2 45.8 9.7 32.8 31 W 53 O OH2 72.9 11.1 15.8 27 W 54 O OH2
67.0 26.9 21.1 37 W 55 O OH2 68.1 13.9 12.4 30 W 56 O OH2 73.4 15.5
16.5 26 W 57 O OH2 55.6 33.8 31.2 26 W 58 O OH2 51.3 28.6 14.1 70 W
59 O OH2 47.7 2.2 27.7 33 W 60 O OH2 73.2 16.1 21.6 45 W 61 O OH2
55.3 29.1 39.2 23 W 62 O OH2 61.0 -1.2 28.9 32 W 63 O OH2 38.8 32.9
49.0 33 W 64 O OH2 71.2 23.0 16.9 49 W 65 O OH2 58.9 10.9 7.7 34 W
66 O OH2 54.4 17.2 39.7 32 W 67 O OH2 61.0 11.0 9.1 36 W 68 O OH2
70.7 28.2 11.6 44 W 69 O OH2 64.7 28.6 24.4 30 W 70 O OH2 65.4 30.3
22.7 41 W 71 O OH2 59.3 36.3 29.4 39 W 72 O OH2 60.6 18.2 39.9 32 W
73 O OH2 60.1 6.5 13.0 34 W 74 O OH2 51.3 21.1 45.7 48 W 75 O OH2
40.0 11.6 32.4 40 W 76 O OH2 52.8 33.4 52.8 44 W 77 O OH2 52.5 2.5
40.9 39 W 78 O OH2 58.1 -0.4 39.8 37 W 79 O OH2 60.8 -0.7 26.0 21 W
80 O OH2 69.1 3.8 21.6 34 W 81 O OH2 70.5 14.2 26.9 40 W 82 O OH2
70.2 13.4 24.3 21 W 83 O OH2 49.9 32.6 13.3 40 W 84 O OH2 45.9 35.0
-5.7 36 W 85 O OH2 57.9 6.9 41.6 34 W 86 O OH2 48.7 22.2 15.3 41 W
87 O OH2 60.5 13.9 41.1 34 W 88 O OH2 63.0 32.2 11.0 44 W 89 O OH2
46.0 36.7 -3.6 32 W 90 O OH2 50.0 32.4 22.5 37 W 91 O OH2 45.5 16.0
15.4 35 W 92 O OH2 52.9 27.4 36.4 26 W 93 O OH2 50.8 14.7 41.8 35 W
94 O OH2 42.4 37.5 40.1 28 W 95 O OH2 48.3 33.4 24.6 31 W 96 O OH2
67.3 20.1 22.4 24 W 97 O OH2 56.6 29.9 31.1 24 W 98 O OH2 49.7 1.6
34.4 44 W 99 O OH2 69.1 18.5 10.5 43 W 100 O OH2 41.5 26.3 39.6 31
W 101 O OH2 42.7 40.1 41.6 29 W 102 O OH2 71.2 9.0 14.9 27 W 103 O
OH2 70.5 7.2 31.5 28 W 104 O OH2 56.9 12.3 5.1 23 W 105 O OH2 54.7
-4.8 19.2 34 W 106 O OH2 61.4 26.4 28.9 32 W 107 O OH2 55.5 31.2
33.2 33 W 108 O OH2 68.8 9.2 12.9 33 W 109 O OH2 63.8 28.0 27.9 42
W 110 O OH2 47.7 32.1 27.1 27 W 111 O OH2 66.9 10.9 12.9 32 W 112 O
OH2 63.4 35.4 23.7 29 W 113 O OH2 61.5 5.0 14.6 44 W 114 O OH2 79.0
22.3 8.1 50 W 115 O OH2 42.9 21.6 -6.0 43 W 116 O OH2 58.9 26.3
-9.4 53 W 117 O OH2 44.7 36.0 -1.4 36 W 118 O OH2 54.9 35.1 13.3 45
W 119 O OH2 50.8 38.6 -5.1 48 W 120 O OH2 51.0 24.9 23.5 28 W 121 O
OH2 9999.0 1.0 0.0 0 122 O OH2 54.8 19.2 -7.6 44 W 123 O OH2 43.4
13.4 23.1 32 W 124 O OH2 39.5 25.7 -2.5 53 W 125 O OH2 54.1 16.7
-7.6 37 W 126 O OH2 43.0 11.8 36.0 45 W 127 O OH2 44.6 21.9 18.0 37
W 128 O OH2 71.5 3.8 20.2 39 W 129 O OH2 60.9 5.7 10.2 47 W 130 O
OH2 42.1 28.3 -0.0 31 W 131 O OH2 51.8 0.5 33.1 40 W 132 O OH2 67.4
26.8 25.6 35 W 133 O OH2 54.4 1.5 33.7 30 W 134 O OH2 61.1 0.4 31.1
35 W 135 O OH2 52.3 17.4 9.7 26 W 136 O OH2 41.0 19.0 24.7 30 W 137
O OH2 42.5 31.8 51.0 33 W 138 O OH2 61.8 1.1 34.3 48 W 139 O OH2
41.8 15.4 36.3 30 W 140 O OH2 56.5 9.2 41.8 46 W 141 O OH2 9999.0
1.0 0.0 0 142 O OH2 63.2 27.6 6.2 55 W 143 O OH2 64.0 7.0 38.7 32 W
144 O OH2 48.4 2.3 36.7 36 W 145 O OH2 57.6 35.5 19.6 50 W 146 O
OH2 9999.0 1.0 0.0 0 147 O OH2 68.2 5.9 19.5 24 W 148 O OH2 49.1
-4.0 30.1 45 W 149 O OH2 46.9 20.3 -8.0 34 W 150 O OH2 55.3 24.3
-12.8 36 W 151 O OH2 60.1 34.3 7.9 60 W 152 O OH2 53.0 -4.2 16.6 47
W 153 O OH2 69.8 19.8 22.5 40 W 154 O OH2 42.1 16.7 39.0 29 W 155 O
OH2 58.6 33.7 18.1 47 W 156 O OH2 57.0 28.6 -8.6 33 W 157 O OH2
55.4 27.8 -10.5 34 W 158 O OH2 50.1 17.7 49.6 46 W 159 O OH2 42.4
7.9 22.7 34 W 160 O OH2 55.3 3.8 42.5 43 W 161 O OH2 65.7 13.1 36.1
29 W 162 O OH2 44.2 25.2 -6.6 31 W 163 O OH2 52.8 39.2 32.6 33 W
164 O OH2 57.7 32.8 33.9 60 W 165 O OH2 36.2 27.4 27.3 38 W 166 O
OH2 68.3 21.3 8.2 57 W 167 O OH2 66.3 20.1 36.5 45 W 168 O OH2 52.0
40.5 27.1 42 W 169 O OH2 33.3 11.5 -5.7 58 W 170 O OH2 51.0 14.6
-9.1 50 W 171 O OH2 43.1 7.9 25.6 44 W 172 O OH2 62.4 30.9 8.8 60 W
173 O OH2 58.3 31.9 1.4 40 W 174 O OH2 48.0 -3.4 23.9 45 W 175 O
OH2 57.7 36.8 14.7 54 W 176 O OH2 58.0 27.3 48.9 41 W 177 O OH2
71.2 21.7 21.3 39 W 178 O OH2 52.4 34.9 37.2 32 W 179 O OH2 57.1
30.7 37.3 41 W 180 O OH2 76.0 4.4 19.9 33 W 181 O OH2 61.3 20.5
41.3 32 W 182 O OH2 48.5 36.8 -3.1 45 W
183 O OH2 55.8 35.4 35.5 52 W 184 O OH2 70.1 -2.3 24.0 57 W 185 O
OH2 46.8 0.5 34.2 60 W 186 O OH2 68.5 26.1 19.3 48 W 187 O OH2 34.1
23.2 37.4 45 W 188 O OH2 66.9 4.6 15.1 39 W 189 O OH2 44.0 18.9
16.1 42 W 190 O OH2 44.9 39.6 6.0 70 W 191 O OH2 42.2 7.3 -8.0 55 W
192 O OH2 62.4 6.6 40.9 40 W 193 O OH2 65.4 0.5 32.9 57 W 194 O OH2
58.0 18.2 40.5 55 W 195 O OH2 54.8 6.2 2.5 33 W 196 O OH2 66.1 5.2
39.2 36 W 197 O OH2 35.9 18.6 27.0 45 W 198 O OH2 61.0 19.4 -8.8 52
W 199 O OH2 48.9 26.4 20.0 91 W 200 O OH2 57.7 43.4 28.5 74 W 201 O
OH2 41.1 30.1 24.9 45 W 202 O OH2 58.8 22.1 41.9 34 W 203 O OH2
59.5 41.7 27.4 51 W 204 O OH2 42.3 36.8 25.9 36 W 205 O OH2 50.9
22.2 48.6 53 W 206 O OH2 33.3 20.7 -5.9 60 W 207 O OH2 44.1 2.2
11.8 54 W 208 O OH2 62.2 13.4 6.8 44 W 209 O OH2 52.9 2.8 2.4 55 W
210 O OH2 62.8 30.0 29.4 52 W 211 O OH2 38.1 23.0 -0.3 50 W 212 O
OH2 62.0 7.6 8.9 48 W 213 O OH2 43.8 5.3 -10.7 60 W 214 O OH2 57.1
16.9 -10.4 56 W 215 O OH2 63.8 25.2 45.5 48 W 216 O OH2 43.2 14.3
14.0 51 W 217 O OH2 37.3 25.4 -1.1 78 W 218 O OH2 63.9 2.2 13.1 49
W 219 O OH2 60.8 32.8 46.9 60 W 220 O OH2 56.9 44.4 11.5 69 W 221 O
OH2 39.2 39.8 2.4 48 W 222 O OH2 36.8 8.3 -5.8 49 W 500 X S 57.3
33.0 14.7 80 W 500 X O1 56.8 32.9 13.3 80 W 500 X O2 56.5 34.0 15.4
80 W 500 X O3 57.2 31.7 15.3 79 W 500 X O4 58.7 33.5 14.7 79 W 501
X S 67.0 31.7 10.7 80 W 501 X O1 66.5 30.7 9.7 80 W 501 X O2 67.9
31.0 11.6 80 W 501 X O3 67.6 32.8 10.0 81 W 501 X O4 65.8 32.2 11.5
80 W 800 Z N 50.1 11.3 7.8 36 S 800 Z C 50.7 10.0 7.7 37 S 800 Z N1
49.9 8.9 7.7 36 S 800 Z C3A 48.7 9.5 7.9 38 S 800 Z C7A 48.8 10.9
8.0 37 S 800 Z C1 47.4 8.9 8.0 40 S 800 Z N2 46.2 9.7 8.2 42 S 800
Z C2 46.3 11.2 8.3 42 S 800 Z N3 47.6 11.8 8.2 40 S 800 Z C3 50.8
12.6 7.8 36 S 800 Z N4 45.1 11.9 8.5 45 S 800 Z C4 43.9 11.6 9.2 48
S 800 Z C5 44.2 11.1 10.7 50 S 800 Z O 43.0 10.7 11.3 52 S 800 Z N5
47.2 7.4 8.0 42 S 800 Z C6 46.2 6.5 8.5 42 S 800 Z C7 46.3 7.4 10.9
41 S 800 Z C8 45.7 7.8 12.2 42 S 800 Z C9 44.3 7.6 12.4 43 S 800 Z
C10 43.5 7.0 11.3 43 S 800 Z C11 44.1 6.7 10.1 42 S 800 Z C12 45.5
6.9 9.9 42 S
Example 22
Ah.sub.6-ERK2 [Non-Phosphorylated] (Form 1)-Olomoucine Complex
Structure Determination
[0110] The crystal structure was solved using molecular replacement
using the search models 1 ERK and 3ERK and 4ERK from the PDB.
Refinement was done using the program CNX.
TABLE-US-00016 Theoretical number of reflections 28237 Resolution
Limits 30.0-2.00 .ANG. Number of unobserved reflections 891 (3.2%)
Number of reflections in working set 25956 (91.9%) Number of
reflections in test set 1390 (4.9%) Number of protein residues 346
Number of solvent atoms 219 R-factor 0.222 R-free 0.259 RMSD bond
length 0.0061 .ANG. RMSD bond angles 1.126.degree.
[0111] The present invention is not to be limited in scope by the
specific embodiments described herein. Indeed, various
modifications of the invention in addition to those described
herein will become apparent to those skilled in the art from the
foregoing description and the accompanying figures. Such
modifications are intended to fall within the scope of the appended
claims.
[0112] Patents, patent applications, Genbank Accession Numbers and
publications are cited throughout this application, the disclosures
of which are incorporated herein by reference in their entireties.
Sequence CWU 1
1
6184DNAArtificial SequencePrimer NpT7-5 mouse Erk2 forward
1ccggaattct aaggaggttt aaccatggca catcaccatc accatcacat ggcggcggcg
60gcggcggcgg gcccggagat ggtc 84250DNAArtificial SequencePrimer
Mouse Erk2 reverse 2cccaagcttt taagatctgt atcctggctg gaatctagca
gtctcttcaa 503366PRTArtificial SequenceMet-Ala-His6-ERK2 3Met Ala
His His His His His His Met Ala Ala Ala Ala Ala Ala Gly1 5 10 15Pro
Glu Met Val Arg Gly Gln Val Phe Asp Val Gly Pro Arg Tyr Thr 20 25
30Asn Leu Ser Tyr Ile Gly Glu Gly Ala Tyr Gly Met Val Cys Ser Ala
35 40 45Tyr Asp Asn Leu Asn Lys Val Arg Val Ala Ile Lys Lys Ile Ser
Pro 50 55 60Phe Glu His Gln Thr Tyr Cys Gln Arg Thr Leu Arg Glu Ile
Lys Ile65 70 75 80Leu Leu Arg Phe Arg His Glu Asn Ile Ile Gly Ile
Asn Asp Ile Ile 85 90 95Arg Ala Pro Thr Ile Glu Gln Met Lys Asp Val
Tyr Ile Val Gln Asp 100 105 110Leu Met Glu Thr Asp Leu Tyr Lys Leu
Leu Lys Thr Gln His Leu Ser 115 120 125Asn Asp His Ile Cys Tyr Phe
Leu Tyr Gln Ile Leu Arg Gly Leu Lys 130 135 140Tyr Ile His Ser Ala
Asn Val Leu His Arg Asp Leu Lys Pro Ser Asn145 150 155 160Leu Leu
Leu Asn Thr Thr Cys Asp Leu Lys Ile Cys Asp Phe Gly Leu 165 170
175Ala Arg Val Ala Asp Pro Asp His Asp His Thr Gly Phe Leu Thr Glu
180 185 190Tyr Val Ala Thr Arg Trp Tyr Arg Ala Pro Glu Ile Met Leu
Asn Ser 195 200 205Lys Gly Tyr Thr Lys Ser Ile Asp Ile Trp Ser Val
Gly Cys Ile Leu 210 215 220Ala Glu Met Leu Ser Asn Arg Pro Ile Phe
Pro Gly Lys His Tyr Leu225 230 235 240Asp Gln Leu Asn His Ile Leu
Gly Ile Leu Gly Ser Pro Ser Gln Glu 245 250 255Asp Leu Asn Cys Ile
Ile Asn Leu Lys Ala Arg Asn Tyr Leu Leu Ser 260 265 270Leu Pro His
Lys Asn Lys Val Pro Trp Asn Arg Leu Phe Pro Asn Ala 275 280 285Asp
Ser Lys Ala Leu Asp Leu Leu Asp Lys Met Leu Thr Phe Asn Pro 290 295
300His Lys Arg Ile Glu Val Glu Gln Ala Leu Ala His Pro Tyr Leu
Glu305 310 315 320Gln Tyr Tyr Asp Pro Ser Asp Glu Pro Ile Ala Glu
Ala Pro Phe Lys 325 330 335Phe Asp Met Glu Leu Asp Asp Leu Pro Lys
Glu Lys Leu Lys Glu Leu 340 345 350Ile Phe Glu Glu Thr Ala Arg Phe
Gln Pro Gly Tyr Arg Ser 355 360 36541101DNAArtificial
SequenceMet-Ala-His6-ERK2 4atggcacatc accatcacca tcacatggcg
gcggcggcgg cggcgggccc ggagatggtc 60cgcgggcagg tgttcgacgt agggccgcgc
tacaccaacc tctcgtacat cggagaaggc 120gcctacggca tggtttgctc
tgcttatgat aatctcaaca aagttcgagt tgctatcaag 180aaaatcagtc
cttttgagca ccagacctac tgtcaaagaa ccctaagaga gataaaaatc
240ttactgcgct tcagacatga gaacatcatt ggcatcaatg acatcatccg
ggcaccaacc 300attgagcaaa tgaaagatgt atatatagta caggacctca
tggagacgga cctttacaag 360ctcttgaaga cacagcacct cagcaatgac
cacatctgct attttcttta tcagatcctg 420agagggctaa agtatatcca
ttcagctaac gttctgcacc gtgacctcaa gccttccaac 480ctcctgctga
acaccacttg tgatctcaag atctgtgact ttggccttgc ccgtgttgca
540gatccagatc atgatcacac agggttcttg acagagtacg tagccacacg
ttggtacaga 600gctccagaaa ttatgttgaa ctccaagggt tataccaagt
ccattgatat ttggtctgtg 660ggctgcatcc tggcagagat gctatccaac
aggcctatct tcccaggaaa gcattacctt 720gaccagctga atcacatcct
gggtattctt ggatctccat cacaggaaga tctgaattgt 780ataataaatt
taaaagctag aaactatttg ctttctctcc cgcacaaaaa taaggtgcca
840tggaacaggt tgttcccaaa tgctgactcc aaagctctgg atttactgga
taaaatgttg 900acatttaacc ctcacaagag gattgaagtt gaacaggctc
tggcccaccc atacctggag 960cagtattatg acccaagtga tgagcccatt
gctgaagcgc cattcaagtt tgacatggag 1020ttggacgact tacctaagga
gaagctcaaa gaactcattt ttgaagagac tgctagattc 1080cagccaggat
acagatctta a 11015365PRTArtificial SequenceAla-His6-ERK2 5Ala His
His His His His His Met Ala Ala Ala Ala Ala Ala Gly Pro1 5 10 15Glu
Met Val Arg Gly Gln Val Phe Asp Val Gly Pro Arg Tyr Thr Asn 20 25
30Leu Ser Tyr Ile Gly Glu Gly Ala Tyr Gly Met Val Cys Ser Ala Tyr
35 40 45Asp Asn Leu Asn Lys Val Arg Val Ala Ile Lys Lys Ile Ser Pro
Phe 50 55 60Glu His Gln Thr Tyr Cys Gln Arg Thr Leu Arg Glu Ile Lys
Ile Leu65 70 75 80Leu Arg Phe Arg His Glu Asn Ile Ile Gly Ile Asn
Asp Ile Ile Arg 85 90 95Ala Pro Thr Ile Glu Gln Met Lys Asp Val Tyr
Ile Val Gln Asp Leu 100 105 110Met Glu Thr Asp Leu Tyr Lys Leu Leu
Lys Thr Gln His Leu Ser Asn 115 120 125Asp His Ile Cys Tyr Phe Leu
Tyr Gln Ile Leu Arg Gly Leu Lys Tyr 130 135 140Ile His Ser Ala Asn
Val Leu His Arg Asp Leu Lys Pro Ser Asn Leu145 150 155 160Leu Leu
Asn Thr Thr Cys Asp Leu Lys Ile Cys Asp Phe Gly Leu Ala 165 170
175Arg Val Ala Asp Pro Asp His Asp His Thr Gly Phe Leu Thr Glu Tyr
180 185 190Val Ala Thr Arg Trp Tyr Arg Ala Pro Glu Ile Met Leu Asn
Ser Lys 195 200 205Gly Tyr Thr Lys Ser Ile Asp Ile Trp Ser Val Gly
Cys Ile Leu Ala 210 215 220Glu Met Leu Ser Asn Arg Pro Ile Phe Pro
Gly Lys His Tyr Leu Asp225 230 235 240Gln Leu Asn His Ile Leu Gly
Ile Leu Gly Ser Pro Ser Gln Glu Asp 245 250 255Leu Asn Cys Ile Ile
Asn Leu Lys Ala Arg Asn Tyr Leu Leu Ser Leu 260 265 270Pro His Lys
Asn Lys Val Pro Trp Asn Arg Leu Phe Pro Asn Ala Asp 275 280 285Ser
Lys Ala Leu Asp Leu Leu Asp Lys Met Leu Thr Phe Asn Pro His 290 295
300Lys Arg Ile Glu Val Glu Gln Ala Leu Ala His Pro Tyr Leu Glu
Gln305 310 315 320Tyr Tyr Asp Pro Ser Asp Glu Pro Ile Ala Glu Ala
Pro Phe Lys Phe 325 330 335Asp Met Glu Leu Asp Asp Leu Pro Lys Glu
Lys Leu Lys Glu Leu Ile 340 345 350Phe Glu Glu Thr Ala Arg Phe Gln
Pro Gly Tyr Arg Ser 355 360 3656358PRTMus sp. 6Met Ala Ala Ala Ala
Ala Ala Gly Pro Glu Met Val Arg Gly Gln Val1 5 10 15Phe Asp Val Gly
Pro Arg Tyr Thr Asn Leu Ser Tyr Ile Gly Glu Gly 20 25 30Ala Tyr Gly
Met Val Cys Ser Ala Tyr Asp Asn Leu Asn Lys Val Arg 35 40 45Val Ala
Ile Lys Lys Ile Ser Pro Phe Glu His Gln Thr Tyr Cys Gln 50 55 60Arg
Thr Leu Arg Glu Ile Lys Ile Leu Leu Arg Phe Arg His Glu Asn65 70 75
80Ile Ile Gly Ile Asn Asp Ile Ile Arg Ala Pro Thr Ile Glu Gln Met
85 90 95Lys Asp Val Tyr Ile Val Gln Asp Leu Met Glu Thr Asp Leu Tyr
Lys 100 105 110Leu Leu Lys Thr Gln His Leu Ser Asn Asp His Ile Cys
Tyr Phe Leu 115 120 125Tyr Gln Ile Leu Arg Gly Leu Lys Tyr Ile His
Ser Ala Asn Val Leu 130 135 140His Arg Asp Leu Lys Pro Ser Asn Leu
Leu Leu Asn Thr Thr Cys Asp145 150 155 160Leu Lys Ile Cys Asp Phe
Gly Leu Ala Arg Val Ala Asp Pro Asp His 165 170 175Asp His Thr Gly
Phe Leu Thr Glu Tyr Val Ala Thr Arg Trp Tyr Arg 180 185 190Ala Pro
Glu Ile Met Leu Asn Ser Lys Gly Tyr Thr Lys Ser Ile Asp 195 200
205Ile Trp Ser Val Gly Cys Ile Leu Ala Glu Met Leu Ser Asn Arg Pro
210 215 220Ile Phe Pro Gly Lys His Tyr Leu Asp Gln Leu Asn His Ile
Leu Gly225 230 235 240Ile Leu Gly Ser Pro Ser Gln Glu Asp Leu Asn
Cys Ile Ile Asn Leu 245 250 255Lys Ala Arg Asn Tyr Leu Leu Ser Leu
Pro His Lys Asn Lys Val Pro 260 265 270Trp Asn Arg Leu Phe Pro Asn
Ala Asp Ser Lys Ala Leu Asp Leu Leu 275 280 285Asp Lys Met Leu Thr
Phe Asn Pro His Lys Arg Ile Glu Val Glu Gln 290 295 300Ala Leu Ala
His Pro Tyr Leu Glu Gln Tyr Tyr Asp Pro Ser Asp Glu305 310 315
320Pro Ile Ala Glu Ala Pro Phe Lys Phe Asp Met Glu Leu Asp Asp Leu
325 330 335Pro Lys Glu Lys Leu Lys Glu Leu Ile Phe Glu Glu Thr Ala
Arg Phe 340 345 350Gln Pro Gly Tyr Arg Ser 355
* * * * *
References