NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
527009 |
2l6q   |
17321 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 12.092 10.896 8.126
2 H2 MET 1 HT2 MET 1 11.234 10.344 9.485
3 H3 MET 1 HT3 MET 1 10.752 11.767 8.692
4 HA MET 1 HA MET 1 9.362 10.582 7.467
5 HB2 MET 1 HB2 MET 1 11.865 9.119 6.569
6 HB3 MET 1 HB1 MET 1 10.327 9.160 5.708
7 HG2 MET 1 HG2 MET 1 11.843 11.678 6.416
8 HG3 MET 1 HG1 MET 1 12.111 10.811 4.904
9 HE1 MET 1 HE1 MET 1 9.836 9.899 3.534
10 HE2 MET 1 HE2 MET 1 10.914 11.135 2.891
11 HE3 MET 1 HE3 MET 1 9.170 11.338 2.750
12 H VAL 2 HN VAL 2 7.982 9.241 8.541
13 HA VAL 2 HA VAL 2 8.901 6.479 9.166
14 HB VAL 2 HB VAL 2 7.605 6.751 11.409
15 HG11 VAL 2 HG11 VAL 2 9.660 7.719 12.508
16 HG12 VAL 2 HG12 VAL 2 10.292 8.057 10.897
17 HG13 VAL 2 HG13 VAL 2 9.995 6.392 11.397
18 HG21 VAL 2 HG21 VAL 2 6.663 8.993 10.830
19 HG22 VAL 2 HG22 VAL 2 8.299 9.652 10.833
20 HG23 VAL 2 HG23 VAL 2 7.599 9.023 12.323
21 H ARG 3 HN ARG 3 7.488 5.973 7.312
22 HA ARG 3 HA ARG 3 4.640 6.617 7.506
23 HB2 ARG 3 HB2 ARG 3 6.353 4.969 5.650
24 HB3 ARG 3 HB1 ARG 3 4.600 4.796 5.599
25 HG2 ARG 3 HG2 ARG 3 5.496 6.496 3.977
26 HG3 ARG 3 HG1 ARG 3 4.317 7.150 5.111
27 HD2 ARG 3 HD2 ARG 3 6.021 8.172 6.442
28 HD3 ARG 3 HD1 ARG 3 7.296 7.287 5.606
29 HE ARG 3 HE ARG 3 6.079 8.736 3.588
30 HH11 ARG 3 HH21 ARG 3 7.421 9.418 6.688
31 HH12 ARG 3 HH22 ARG 3 7.931 11.018 6.262
32 HH21 ARG 3 HH11 ARG 3 6.735 10.821 3.014
33 HH22 ARG 3 HH12 ARG 3 7.543 11.812 4.183
34 H GLN 4 HN GLN 4 6.326 4.851 9.491
35 HA GLN 4 HA GLN 4 5.541 2.212 9.587
36 HB2 GLN 4 HB2 GLN 4 5.580 4.186 11.884
37 HB3 GLN 4 HB1 GLN 4 5.522 2.433 12.075
38 HG2 GLN 4 HG2 GLN 4 7.636 2.265 10.748
39 HG3 GLN 4 HG1 GLN 4 7.716 4.027 10.720
40 HE21 GLN 4 HE21 GLN 4 7.832 5.121 12.917
41 HE22 GLN 4 HE22 GLN 4 8.580 4.293 14.196
42 H GLU 5 HN GLU 5 3.473 5.005 10.434
43 HA GLU 5 HA GLU 5 1.261 3.319 11.343
44 HB2 GLU 5 HB2 GLU 5 1.438 6.241 10.544
45 HB3 GLU 5 HB1 GLU 5 -0.038 5.486 11.150
46 HG2 GLU 5 HG2 GLU 5 1.130 6.545 13.008
47 HG3 GLU 5 HG1 GLU 5 1.211 4.793 13.201
48 H GLU 6 HN GLU 6 1.098 5.652 8.640
49 HA GLU 6 HA GLU 6 -1.043 4.480 7.310
50 HB2 GLU 6 HB2 GLU 6 -0.384 5.668 5.341
51 HB3 GLU 6 HB1 GLU 6 0.136 6.648 6.709
52 HG2 GLU 6 HG2 GLU 6 2.045 6.667 5.357
53 HG3 GLU 6 HG1 GLU 6 2.403 5.336 6.454
54 H LEU 7 HN LEU 7 2.328 3.447 7.242
55 HA LEU 7 HA LEU 7 2.236 1.655 5.047
56 HB2 LEU 7 HB2 LEU 7 4.349 2.086 6.103
57 HB3 LEU 7 HB1 LEU 7 3.742 1.576 7.674
58 HG LEU 7 HG LEU 7 3.625 -0.736 6.956
59 HD11 LEU 7 HD11 LEU 7 2.894 -0.556 4.687
60 HD12 LEU 7 HD12 LEU 7 4.495 -1.286 4.615
61 HD13 LEU 7 HD13 LEU 7 4.288 0.424 4.244
62 HD21 LEU 7 HD21 LEU 7 5.815 -0.011 7.714
63 HD22 LEU 7 HD22 LEU 7 6.204 0.616 6.112
64 HD23 LEU 7 HD23 LEU 7 6.029 -1.121 6.361
65 H ALA 8 HN ALA 8 1.649 0.950 8.511
66 HA ALA 8 HA ALA 8 0.861 -1.731 8.254
67 HB1 ALA 8 HB1 ALA 8 -0.555 -1.241 10.333
68 HB2 ALA 8 HB2 ALA 8 -0.007 0.428 10.181
69 HB3 ALA 8 HB3 ALA 8 1.164 -0.863 10.449
70 H ALA 9 HN ALA 9 -0.985 1.193 7.575
71 HA ALA 9 HA ALA 9 -3.555 -0.118 7.421
72 HB1 ALA 9 HB1 ALA 9 -2.726 2.411 5.980
73 HB2 ALA 9 HB2 ALA 9 -3.154 2.374 7.691
74 HB3 ALA 9 HB3 ALA 9 -4.352 1.938 6.472
75 H ALA 10 HN ALA 10 -1.023 0.594 5.031
76 HA ALA 10 HA ALA 10 -2.548 -0.184 2.728
77 HB1 ALA 10 HB1 ALA 10 0.454 -0.381 3.108
78 HB2 ALA 10 HB2 ALA 10 -0.394 1.098 2.660
79 HB3 ALA 10 HB3 ALA 10 -0.411 -0.292 1.574
80 H ARG 11 HN ARG 11 -0.387 -2.015 4.890
81 HA ARG 11 HA ARG 11 -0.400 -4.462 3.451
82 HB2 ARG 11 HB2 ARG 11 -0.191 -3.881 6.416
83 HB3 ARG 11 HB1 ARG 11 -0.012 -5.502 5.746
84 HG2 ARG 11 HG2 ARG 11 1.808 -4.646 4.266
85 HG3 ARG 11 HG1 ARG 11 1.678 -3.079 5.067
86 HD2 ARG 11 HD2 ARG 11 2.445 -5.719 6.342
87 HD3 ARG 11 HD1 ARG 11 3.474 -4.303 6.128
88 HE ARG 11 HE ARG 11 1.347 -3.356 7.631
89 HH11 ARG 11 HH21 ARG 11 3.596 -5.960 7.836
90 HH12 ARG 11 HH22 ARG 11 3.610 -5.988 9.567
91 HH21 ARG 11 HH11 ARG 11 1.351 -3.376 9.891
92 HH22 ARG 11 HH12 ARG 11 2.339 -4.525 10.731
93 H ALA 12 HN ALA 12 -2.691 -3.112 5.793
94 HA ALA 12 HA ALA 12 -4.332 -5.410 6.125
95 HB1 ALA 12 HB1 ALA 12 -4.959 -2.450 6.242
96 HB2 ALA 12 HB2 ALA 12 -4.664 -3.543 7.594
97 HB3 ALA 12 HB3 ALA 12 -6.142 -3.694 6.644
98 H ALA 13 HN ALA 13 -4.383 -2.846 3.655
99 HA ALA 13 HA ALA 13 -6.800 -3.607 2.380
100 HB1 ALA 13 HB1 ALA 13 -5.221 -1.565 1.945
101 HB2 ALA 13 HB2 ALA 13 -6.141 -2.236 0.598
102 HB3 ALA 13 HB3 ALA 13 -4.432 -2.638 0.788
103 H LEU 14 HN LEU 14 -3.485 -4.842 1.967
104 HA LEU 14 HA LEU 14 -4.036 -6.555 -0.251
105 HB2 LEU 14 HB2 LEU 14 -1.741 -6.169 0.312
106 HB3 LEU 14 HB1 LEU 14 -1.980 -6.692 1.973
107 HG LEU 14 HG LEU 14 -2.374 -9.012 1.191
108 HD11 LEU 14 HD11 LEU 14 -3.339 -8.641 -0.987
109 HD12 LEU 14 HD12 LEU 14 -1.819 -9.494 -1.233
110 HD13 LEU 14 HD13 LEU 14 -1.913 -7.761 -1.529
111 HD21 LEU 14 HD21 LEU 14 0.139 -7.826 -0.016
112 HD22 LEU 14 HD22 LEU 14 -0.092 -9.492 0.512
113 HD23 LEU 14 HD23 LEU 14 -0.068 -8.187 1.698
114 H HIS 15 HN HIS 15 -4.546 -6.932 3.217
115 HA HIS 15 HA HIS 15 -5.215 -9.751 3.063
116 HB2 HIS 15 HB2 HIS 15 -4.371 -8.665 5.136
117 HB3 HIS 15 HB1 HIS 15 -5.873 -7.745 5.227
118 HD1 HIS 15 HD1 HIS 15 -8.085 -9.112 5.671
119 HD2 HIS 15 HD2 HIS 15 -4.581 -11.351 5.963
120 HE1 HIS 15 HE1 HIS 15 -8.714 -11.282 6.816
121 H ASP 16 HN ASP 16 -7.128 -6.759 3.181
122 HA ASP 16 HA ASP 16 -9.599 -8.254 3.265
123 HB2 ASP 16 HB2 ASP 16 -9.363 -5.936 4.156
124 HB3 ASP 16 HB1 ASP 16 -9.194 -5.353 2.499
125 H LEU 17 HN LEU 17 -7.759 -6.711 0.633
126 HA LEU 17 HA LEU 17 -9.847 -7.110 -1.317
127 HB2 LEU 17 HB2 LEU 17 -6.873 -6.635 -1.644
128 HB3 LEU 17 HB1 LEU 17 -7.964 -6.820 -3.010
129 HG LEU 17 HG LEU 17 -8.277 -4.735 -0.831
130 HD11 LEU 17 HD11 LEU 17 -6.262 -4.494 -2.366
131 HD12 LEU 17 HD12 LEU 17 -7.395 -3.148 -2.400
132 HD13 LEU 17 HD13 LEU 17 -7.400 -4.337 -3.701
133 HD21 LEU 17 HD21 LEU 17 -10.435 -4.924 -1.695
134 HD22 LEU 17 HD22 LEU 17 -9.874 -5.500 -3.264
135 HD23 LEU 17 HD23 LEU 17 -9.761 -3.790 -2.859
136 H MET 18 HN MET 18 -7.276 -9.220 -0.132
137 HA MET 18 HA MET 18 -7.957 -11.205 -2.264
138 HB2 MET 18 HB2 MET 18 -5.595 -10.802 -2.070
139 HB3 MET 18 HB1 MET 18 -5.650 -11.018 -0.320
140 HG2 MET 18 HG2 MET 18 -5.923 -13.338 -0.481
141 HG3 MET 18 HG1 MET 18 -6.552 -13.251 -2.127
142 HE1 MET 18 HE1 MET 18 -5.263 -13.730 -4.121
143 HE2 MET 18 HE2 MET 18 -3.676 -13.032 -4.433
144 HE3 MET 18 HE3 MET 18 -5.027 -11.980 -4.017
145 H THR 19 HN THR 19 -9.019 -10.460 0.775
146 HA THR 19 HA THR 19 -9.296 -13.298 1.647
147 HB THR 19 HB THR 19 -9.870 -10.655 3.009
148 HG1 THR 19 HG1 THR 19 -7.755 -12.141 2.808
149 HG21 THR 19 HG21 THR 19 -10.369 -12.188 5.004
150 HG22 THR 19 HG22 THR 19 -10.570 -13.476 3.816
151 HG23 THR 19 HG23 THR 19 -11.622 -12.062 3.770
152 H GLY 20 HN GLY 20 -11.129 -10.701 0.196
153 HA2 GLY 20 HA2 GLY 20 -13.226 -12.268 -0.734
154 HA3 GLY 20 HA1 GLY 20 -13.738 -11.785 0.882
155 H LYS 21 HN LYS 21 -13.556 -9.339 1.305
156 HA LYS 21 HA LYS 21 -15.218 -7.872 -0.363
157 HB2 LYS 21 HB2 LYS 21 -12.882 -6.615 1.092
158 HB3 LYS 21 HB1 LYS 21 -14.450 -5.890 0.740
159 HG2 LYS 21 HG2 LYS 21 -15.448 -7.818 2.145
160 HG3 LYS 21 HG1 LYS 21 -13.800 -8.074 2.722
161 HD2 LYS 21 HD2 LYS 21 -13.709 -5.702 3.454
162 HD3 LYS 21 HD1 LYS 21 -15.380 -5.494 2.931
163 HE2 LYS 21 HE2 LYS 21 -15.325 -5.935 5.336
164 HE3 LYS 21 HE1 LYS 21 -16.066 -7.300 4.501
165 HZ1 LYS 21 HZ1 LYS 21 -13.174 -7.372 4.889
166 HZ2 LYS 21 HZ2 LYS 21 -14.306 -8.638 4.919
167 HZ3 LYS 21 HZ3 LYS 21 -14.142 -7.610 6.261
168 H ARG 22 HN ARG 22 -15.021 -6.955 -2.351
169 HA ARG 22 HA ARG 22 -12.409 -7.162 -3.734
170 HB2 ARG 22 HB2 ARG 22 -14.997 -6.180 -4.942
171 HB3 ARG 22 HB1 ARG 22 -13.627 -6.943 -5.750
172 HG2 ARG 22 HG2 ARG 22 -14.106 -9.032 -4.430
173 HG3 ARG 22 HG1 ARG 22 -15.576 -8.256 -3.839
174 HD2 ARG 22 HD2 ARG 22 -16.266 -7.913 -6.240
175 HD3 ARG 22 HD1 ARG 22 -14.884 -8.899 -6.718
176 HE ARG 22 HE ARG 22 -16.221 -10.487 -4.885
177 HH11 ARG 22 HH21 ARG 22 -17.030 -8.755 -7.754
178 HH12 ARG 22 HH22 ARG 22 -18.275 -9.861 -8.231
179 HH21 ARG 22 HH11 ARG 22 -17.843 -11.942 -5.490
180 HH22 ARG 22 HH12 ARG 22 -18.735 -11.665 -6.949
181 H VAL 23 HN VAL 23 -14.303 -4.795 -2.132
182 HA VAL 23 HA VAL 23 -12.833 -2.572 -3.515
183 HB VAL 23 HB VAL 23 -15.442 -2.684 -3.449
184 HG11 VAL 23 HG11 VAL 23 -14.999 -1.406 -0.744
185 HG12 VAL 23 HG12 VAL 23 -15.433 -3.105 -0.916
186 HG13 VAL 23 HG13 VAL 23 -16.528 -1.854 -1.498
187 HG21 VAL 23 HG21 VAL 23 -14.155 -0.736 -4.220
188 HG22 VAL 23 HG22 VAL 23 -13.946 -0.202 -2.551
189 HG23 VAL 23 HG23 VAL 23 -15.553 -0.218 -3.277
190 H ALA 24 HN ALA 24 -11.721 -1.053 -2.293
191 HA ALA 24 HA ALA 24 -11.716 -1.217 0.652
192 HB1 ALA 24 HB1 ALA 24 -9.275 -1.845 -1.034
193 HB2 ALA 24 HB2 ALA 24 -10.037 -2.888 0.164
194 HB3 ALA 24 HB3 ALA 24 -9.191 -1.429 0.676
195 H THR 25 HN THR 25 -11.415 0.824 1.463
196 HA THR 25 HA THR 25 -10.559 2.971 -0.453
197 HB THR 25 HB THR 25 -11.687 4.461 1.317
198 HG1 THR 25 HG1 THR 25 -13.138 3.363 2.651
199 HG21 THR 25 HG21 THR 25 -12.848 4.164 -0.718
200 HG22 THR 25 HG22 THR 25 -14.017 3.698 0.516
201 HG23 THR 25 HG23 THR 25 -13.156 2.458 -0.396
202 H VAL 26 HN VAL 26 -9.138 4.654 0.388
203 HA VAL 26 HA VAL 26 -7.716 4.037 2.937
204 HB VAL 26 HB VAL 26 -6.158 4.775 0.444
205 HG11 VAL 26 HG11 VAL 26 -5.045 5.147 2.580
206 HG12 VAL 26 HG12 VAL 26 -4.310 3.760 1.777
207 HG13 VAL 26 HG13 VAL 26 -5.442 3.511 3.106
208 HG21 VAL 26 HG21 VAL 26 -5.543 2.266 0.483
209 HG22 VAL 26 HG22 VAL 26 -7.106 2.705 -0.201
210 HG23 VAL 26 HG23 VAL 26 -7.011 2.049 1.435
211 H GLN 27 HN GLN 27 -7.290 5.883 4.076
212 HA GLN 27 HA GLN 27 -8.185 8.443 2.906
213 HB2 GLN 27 HB2 GLN 27 -7.230 7.699 5.693
214 HB3 GLN 27 HB1 GLN 27 -7.825 9.295 5.234
215 HG2 GLN 27 HG2 GLN 27 -9.991 8.320 4.596
216 HG3 GLN 27 HG1 GLN 27 -9.401 6.712 5.018
217 HE21 GLN 27 HE21 GLN 27 -10.380 9.845 6.377
218 HE22 GLN 27 HE22 GLN 27 -10.507 9.303 7.980
219 H LYS 28 HN LYS 28 -6.621 9.281 1.565
220 HA LYS 28 HA LYS 28 -3.903 9.745 2.754
221 HB2 LYS 28 HB2 LYS 28 -4.298 9.253 -0.201
222 HB3 LYS 28 HB1 LYS 28 -2.819 9.136 0.755
223 HG2 LYS 28 HG2 LYS 28 -3.975 7.223 2.018
224 HG3 LYS 28 HG1 LYS 28 -5.165 7.234 0.716
225 HD2 LYS 28 HD2 LYS 28 -2.174 6.859 0.373
226 HD3 LYS 28 HD1 LYS 28 -3.389 5.587 0.259
227 HE2 LYS 28 HE2 LYS 28 -3.030 6.182 -1.990
228 HE3 LYS 28 HE1 LYS 28 -4.476 7.098 -1.566
229 HZ1 LYS 28 HZ1 LYS 28 -2.108 8.104 -2.539
230 HZ2 LYS 28 HZ2 LYS 28 -2.118 8.534 -0.895
231 HZ3 LYS 28 HZ3 LYS 28 -3.405 8.994 -1.904
232 H ASP 29 HN ASP 29 -3.558 11.889 2.890
233 HA ASP 29 HA ASP 29 -3.787 14.193 2.490
234 HB2 ASP 29 HB2 ASP 29 -4.146 13.316 -0.391
235 HB3 ASP 29 HB1 ASP 29 -3.542 14.872 0.183
236 H GLY 30 HN GLY 30 -6.107 13.389 3.524
237 HA2 GLY 30 HA2 GLY 30 -8.439 13.688 3.539
238 HA3 GLY 30 HA1 GLY 30 -8.055 15.181 2.681
239 H ARG 31 HN ARG 31 -7.010 12.431 0.931
240 HA ARG 31 HA ARG 31 -9.463 12.580 -0.805
241 HB2 ARG 31 HB2 ARG 31 -6.525 12.332 -1.422
242 HB3 ARG 31 HB1 ARG 31 -7.699 11.650 -2.547
243 HG2 ARG 31 HG2 ARG 31 -8.756 13.783 -2.865
244 HG3 ARG 31 HG1 ARG 31 -7.824 14.507 -1.554
245 HD2 ARG 31 HD2 ARG 31 -6.542 13.322 -4.027
246 HD3 ARG 31 HD1 ARG 31 -6.976 15.026 -3.893
247 HE ARG 31 HE ARG 31 -5.454 14.555 -1.627
248 HH11 ARG 31 HH21 ARG 31 -5.110 14.061 -5.022
249 HH12 ARG 31 HH22 ARG 31 -3.390 14.263 -5.012
250 HH21 ARG 31 HH11 ARG 31 -3.209 14.823 -1.595
251 HH22 ARG 31 HH12 ARG 31 -2.314 14.694 -3.072
252 H ARG 32 HN ARG 32 -10.579 10.736 -1.064
253 HA ARG 32 HA ARG 32 -9.456 8.199 0.041
254 HB2 ARG 32 HB2 ARG 32 -12.256 9.124 -0.653
255 HB3 ARG 32 HB1 ARG 32 -11.883 7.437 -0.300
256 HG2 ARG 32 HG2 ARG 32 -11.115 7.987 1.913
257 HG3 ARG 32 HG1 ARG 32 -11.185 9.716 1.568
258 HD2 ARG 32 HD2 ARG 32 -13.630 9.567 1.289
259 HD3 ARG 32 HD1 ARG 32 -13.566 7.837 1.625
260 HE ARG 32 HE ARG 32 -12.358 8.988 3.838
261 HH11 ARG 32 HH21 ARG 32 -15.326 9.362 2.123
262 HH12 ARG 32 HH22 ARG 32 -16.230 9.833 3.524
263 HH21 ARG 32 HH11 ARG 32 -13.522 9.601 5.677
264 HH22 ARG 32 HH12 ARG 32 -15.209 9.968 5.536
265 H VAL 33 HN VAL 33 -8.954 6.516 -1.374
266 HA VAL 33 HA VAL 33 -9.832 6.783 -4.243
267 HB VAL 33 HB VAL 33 -7.115 5.797 -3.307
268 HG11 VAL 33 HG11 VAL 33 -6.635 5.906 -5.765
269 HG12 VAL 33 HG12 VAL 33 -8.326 6.314 -6.047
270 HG13 VAL 33 HG13 VAL 33 -7.901 4.741 -5.376
271 HG21 VAL 33 HG21 VAL 33 -6.423 7.939 -4.667
272 HG22 VAL 33 HG22 VAL 33 -6.985 8.147 -3.013
273 HG23 VAL 33 HG23 VAL 33 -8.076 8.472 -4.360
274 H GLU 34 HN GLU 34 -10.392 4.899 -5.251
275 HA GLU 34 HA GLU 34 -10.807 2.556 -3.448
276 HB2 GLU 34 HB2 GLU 34 -11.989 2.838 -6.210
277 HB3 GLU 34 HB1 GLU 34 -12.618 1.962 -4.814
278 HG2 GLU 34 HG2 GLU 34 -13.973 3.892 -4.915
279 HG3 GLU 34 HG1 GLU 34 -12.780 4.288 -3.679
280 H PHE 35 HN PHE 35 -10.325 0.438 -4.169
281 HA PHE 35 HA PHE 35 -8.561 0.103 -6.556
282 HB2 PHE 35 HB2 PHE 35 -7.889 -0.531 -3.680
283 HB3 PHE 35 HB1 PHE 35 -7.158 -1.437 -5.003
284 HD1 PHE 35 HD1 PHE 35 -6.276 0.146 -7.001
285 HD2 PHE 35 HD2 PHE 35 -6.699 1.326 -2.898
286 HE1 PHE 35 HE1 PHE 35 -4.593 1.930 -7.348
287 HE2 PHE 35 HE2 PHE 35 -5.007 3.109 -3.239
288 HZ PHE 35 HZ PHE 35 -3.960 3.417 -5.466
289 H THR 36 HN THR 36 -9.018 -1.815 -7.588
290 HA THR 36 HA THR 36 -10.875 -3.731 -6.194
291 HB THR 36 HB THR 36 -11.559 -4.303 -8.605
292 HG1 THR 36 HG1 THR 36 -10.442 -3.292 -10.046
293 HG21 THR 36 HG21 THR 36 -13.158 -2.462 -8.685
294 HG22 THR 36 HG22 THR 36 -12.154 -1.511 -7.590
295 HG23 THR 36 HG23 THR 36 -12.941 -2.980 -7.013
296 H ALA 37 HN ALA 37 -10.527 -5.973 -6.625
297 HA ALA 37 HA ALA 37 -7.924 -6.911 -6.544
298 HB1 ALA 37 HB1 ALA 37 -10.086 -8.407 -8.028
299 HB2 ALA 37 HB2 ALA 37 -10.100 -8.230 -6.273
300 HB3 ALA 37 HB3 ALA 37 -8.768 -9.074 -7.063
301 H THR 38 HN THR 38 -9.508 -5.607 -9.350
302 HA THR 38 HA THR 38 -7.950 -6.984 -11.333
303 HB THR 38 HB THR 38 -9.108 -4.210 -11.638
304 HG1 THR 38 HG1 THR 38 -11.064 -5.164 -11.997
305 HG21 THR 38 HG21 THR 38 -9.495 -5.041 -13.955
306 HG22 THR 38 HG22 THR 38 -8.695 -6.551 -13.517
307 HG23 THR 38 HG23 THR 38 -7.787 -5.039 -13.514
308 H SER 39 HN SER 39 -7.271 -4.259 -9.228
309 HA SER 39 HA SER 39 -4.753 -3.713 -10.787
310 HB2 SER 39 HB2 SER 39 -4.732 -1.539 -9.671
311 HB3 SER 39 HB1 SER 39 -6.258 -1.773 -10.513
312 HG SER 39 HG SER 39 -6.674 -2.781 -8.179
313 H VAL 40 HN VAL 40 -5.493 -5.756 -8.517
314 HA VAL 40 HA VAL 40 -4.111 -5.146 -6.152
315 HB VAL 40 HB VAL 40 -5.445 -7.227 -6.577
316 HG11 VAL 40 HG11 VAL 40 -4.388 -9.127 -7.695
317 HG12 VAL 40 HG12 VAL 40 -2.959 -8.158 -8.042
318 HG13 VAL 40 HG13 VAL 40 -4.501 -7.762 -8.803
319 HG21 VAL 40 HG21 VAL 40 -4.148 -8.667 -5.161
320 HG22 VAL 40 HG22 VAL 40 -3.777 -7.016 -4.671
321 HG23 VAL 40 HG23 VAL 40 -2.638 -7.914 -5.673
322 H SER 41 HN SER 41 -2.836 -5.323 -9.304
323 HA SER 41 HA SER 41 -0.122 -6.098 -8.480
324 HB2 SER 41 HB2 SER 41 0.450 -5.717 -10.834
325 HB3 SER 41 HB1 SER 41 -0.996 -6.715 -10.709
326 HG SER 41 HG SER 41 -0.921 -3.901 -11.114
327 H ASP 42 HN ASP 42 -1.607 -3.108 -9.837
328 HA ASP 42 HA ASP 42 0.749 -1.542 -9.521
329 HB2 ASP 42 HB2 ASP 42 -0.614 0.388 -9.875
330 HB3 ASP 42 HB1 ASP 42 -1.313 -0.897 -10.855
331 H LEU 43 HN LEU 43 -1.607 -2.623 -7.180
332 HA LEU 43 HA LEU 43 -0.906 -0.614 -5.194
333 HB2 LEU 43 HB2 LEU 43 -3.063 -1.891 -5.130
334 HB3 LEU 43 HB1 LEU 43 -2.136 -3.348 -4.782
335 HG LEU 43 HG LEU 43 -1.143 -1.874 -2.794
336 HD11 LEU 43 HD11 LEU 43 -2.573 0.109 -3.732
337 HD12 LEU 43 HD12 LEU 43 -2.501 -0.153 -1.991
338 HD13 LEU 43 HD13 LEU 43 -3.904 -0.693 -2.906
339 HD21 LEU 43 HD21 LEU 43 -3.904 -3.127 -2.794
340 HD22 LEU 43 HD22 LEU 43 -3.004 -2.700 -1.339
341 HD23 LEU 43 HD23 LEU 43 -2.380 -3.932 -2.432
342 H LYS 44 HN LYS 44 0.101 -3.962 -5.923
343 HA LYS 44 HA LYS 44 1.799 -4.407 -3.719
344 HB2 LYS 44 HB2 LYS 44 1.805 -5.309 -6.583
345 HB3 LYS 44 HB1 LYS 44 3.261 -5.612 -5.636
346 HG2 LYS 44 HG2 LYS 44 1.923 -6.783 -3.934
347 HG3 LYS 44 HG1 LYS 44 0.458 -6.471 -4.862
348 HD2 LYS 44 HD2 LYS 44 1.317 -7.781 -6.736
349 HD3 LYS 44 HD1 LYS 44 2.849 -8.021 -5.897
350 HE2 LYS 44 HE2 LYS 44 0.130 -9.064 -5.064
351 HE3 LYS 44 HE1 LYS 44 1.521 -10.015 -5.584
352 HZ1 LYS 44 HZ1 LYS 44 1.388 -10.048 -3.207
353 HZ2 LYS 44 HZ2 LYS 44 1.327 -8.352 -3.132
354 HZ3 LYS 44 HZ3 LYS 44 2.743 -9.132 -3.656
355 H LYS 45 HN LYS 45 2.377 -2.476 -6.644
356 HA LYS 45 HA LYS 45 5.151 -1.945 -6.066
357 HB2 LYS 45 HB2 LYS 45 3.920 -1.674 -8.302
358 HB3 LYS 45 HB1 LYS 45 3.301 -0.155 -7.651
359 HG2 LYS 45 HG2 LYS 45 5.653 0.551 -7.196
360 HG3 LYS 45 HG1 LYS 45 6.211 -0.915 -7.994
361 HD2 LYS 45 HD2 LYS 45 4.327 0.960 -9.426
362 HD3 LYS 45 HD1 LYS 45 6.053 1.305 -9.382
363 HE2 LYS 45 HE2 LYS 45 4.783 -1.246 -10.424
364 HE3 LYS 45 HE1 LYS 45 5.498 0.032 -11.404
365 HZ1 LYS 45 HZ1 LYS 45 6.781 -2.139 -10.215
366 HZ2 LYS 45 HZ2 LYS 45 7.341 -0.737 -9.436
367 HZ3 LYS 45 HZ3 LYS 45 7.474 -0.886 -11.123
368 H TYR 46 HN TYR 46 2.150 -0.099 -5.496
369 HA TYR 46 HA TYR 46 3.256 2.224 -4.364
370 HB2 TYR 46 HB2 TYR 46 0.853 1.901 -4.869
371 HB3 TYR 46 HB1 TYR 46 0.739 0.756 -3.540
372 HD1 TYR 46 HD2 TYR 46 2.143 4.222 -4.039
373 HD2 TYR 46 HD1 TYR 46 -0.281 1.615 -1.625
374 HE1 TYR 46 HE2 TYR 46 1.672 6.092 -2.486
375 HE2 TYR 46 HE1 TYR 46 -0.767 3.497 -0.083
376 HH TYR 46 HH TYR 46 -0.048 5.589 0.537
377 H ILE 47 HN ILE 47 2.926 -0.992 -3.007
378 HA ILE 47 HA ILE 47 3.547 -0.138 -0.278
379 HB ILE 47 HB ILE 47 3.415 -2.867 -1.588
380 HG12 ILE 47 HG12 ILE 47 1.632 -1.603 0.515
381 HG13 ILE 47 HG11 ILE 47 1.285 -1.522 -1.212
382 HG21 ILE 47 HG21 ILE 47 4.065 -2.037 1.247
383 HG22 ILE 47 HG22 ILE 47 4.969 -3.129 0.200
384 HG23 ILE 47 HG23 ILE 47 3.419 -3.634 0.871
385 HD11 ILE 47 HD11 ILE 47 0.138 -3.423 0.004
386 HD12 ILE 47 HD12 ILE 47 1.734 -4.122 0.273
387 HD13 ILE 47 HD13 ILE 47 1.126 -3.920 -1.370
388 H ALA 48 HN ALA 48 5.302 -1.386 -3.063
389 HA ALA 48 HA ALA 48 7.783 -1.827 -1.625
390 HB1 ALA 48 HB1 ALA 48 7.281 -1.441 -4.590
391 HB2 ALA 48 HB2 ALA 48 7.283 -2.988 -3.743
392 HB3 ALA 48 HB3 ALA 48 8.772 -2.052 -3.873
393 H GLU 49 HN GLU 49 6.417 0.851 -3.505
394 HA GLU 49 HA GLU 49 8.820 2.426 -3.544
395 HB2 GLU 49 HB2 GLU 49 6.852 2.773 -5.061
396 HB3 GLU 49 HB1 GLU 49 5.966 3.430 -3.687
397 HG2 GLU 49 HG2 GLU 49 7.644 5.190 -3.406
398 HG3 GLU 49 HG1 GLU 49 8.600 4.513 -4.725
399 H LEU 50 HN LEU 50 6.166 2.152 -1.200
400 HA LEU 50 HA LEU 50 7.057 4.470 0.319
401 HB2 LEU 50 HB2 LEU 50 5.189 2.189 1.044
402 HB3 LEU 50 HB1 LEU 50 5.654 3.421 2.207
403 HG LEU 50 HG LEU 50 4.369 4.014 -0.478
404 HD11 LEU 50 HD11 LEU 50 2.583 3.069 0.667
405 HD12 LEU 50 HD12 LEU 50 2.455 4.726 1.241
406 HD13 LEU 50 HD13 LEU 50 3.219 3.500 2.253
407 HD21 LEU 50 HD21 LEU 50 3.926 6.230 1.005
408 HD22 LEU 50 HD22 LEU 50 5.385 6.033 0.044
409 HD23 LEU 50 HD23 LEU 50 5.422 5.699 1.774
410 H GLU 51 HN GLU 51 7.859 1.033 0.369
411 HA GLU 51 HA GLU 51 9.246 1.122 2.889
412 HB2 GLU 51 HB2 GLU 51 9.426 -0.738 0.510
413 HB3 GLU 51 HB1 GLU 51 10.491 -0.917 1.903
414 HG2 GLU 51 HG2 GLU 51 7.476 -0.803 2.120
415 HG3 GLU 51 HG1 GLU 51 8.382 -2.310 1.993
416 H VAL 52 HN VAL 52 10.138 2.038 -0.391
417 HA VAL 52 HA VAL 52 12.986 2.292 0.282
418 HB VAL 52 HB VAL 52 11.379 3.163 -2.141
419 HG11 VAL 52 HG11 VAL 52 13.248 4.647 -2.019
420 HG12 VAL 52 HG12 VAL 52 13.715 3.385 -3.159
421 HG13 VAL 52 HG13 VAL 52 14.332 3.353 -1.507
422 HG21 VAL 52 HG21 VAL 52 13.213 0.832 -1.532
423 HG22 VAL 52 HG22 VAL 52 12.813 1.308 -3.182
424 HG23 VAL 52 HG23 VAL 52 11.539 0.781 -2.084
425 H GLN 53 HN GLN 53 10.143 4.264 0.494
426 HA GLN 53 HA GLN 53 11.715 6.776 0.643
427 HB2 GLN 53 HB2 GLN 53 8.740 6.198 0.810
428 HB3 GLN 53 HB1 GLN 53 9.435 7.807 1.014
429 HG2 GLN 53 HG2 GLN 53 10.457 7.651 -1.228
430 HG3 GLN 53 HG1 GLN 53 9.753 6.047 -1.435
431 HE21 GLN 53 HE21 GLN 53 8.981 9.506 -1.254
432 HE22 GLN 53 HE22 GLN 53 7.393 9.359 -1.834
433 H THR 54 HN THR 54 10.788 4.276 2.681
434 HA THR 54 HA THR 54 11.029 6.029 5.107
435 HB THR 54 HB THR 54 8.983 4.115 4.314
436 HG1 THR 54 HG1 THR 54 8.331 5.108 6.552
437 HG21 THR 54 HG21 THR 54 10.341 3.615 6.983
438 HG22 THR 54 HG22 THR 54 10.181 2.465 5.655
439 HG23 THR 54 HG23 THR 54 8.751 2.998 6.537
440 H GLY 55 HN GLY 55 12.253 3.389 3.294
441 HA2 GLY 55 HA2 GLY 55 13.561 2.000 5.479
442 HA3 GLY 55 HA1 GLY 55 13.915 1.793 3.760
443 H MET 56 HN MET 56 16.238 1.787 4.751
444 HA MET 56 HA MET 56 17.290 4.581 4.631
445 HB2 MET 56 HB2 MET 56 17.869 2.507 6.762
446 HB3 MET 56 HB1 MET 56 18.910 3.901 6.474
447 HG2 MET 56 HG2 MET 56 15.943 4.133 7.031
448 HG3 MET 56 HG1 MET 56 17.175 4.239 8.287
449 HE1 MET 56 HE1 MET 56 17.173 6.682 9.162
450 HE2 MET 56 HE2 MET 56 15.561 6.360 8.527
451 HE3 MET 56 HE3 MET 56 16.343 7.901 8.184
452 H THR 57 HN THR 57 17.527 3.314 2.393
453 HA THR 57 HA THR 57 20.360 2.508 2.257
454 HB THR 57 HB THR 57 19.003 0.397 2.698
455 HG1 THR 57 HG1 THR 57 20.842 0.927 0.809
456 HG21 THR 57 HG21 THR 57 18.049 0.797 -0.149
457 HG22 THR 57 HG22 THR 57 17.061 1.215 1.252
458 HG23 THR 57 HG23 THR 57 17.560 -0.456 0.995
459 H GLN 58 HN GLN 58 20.291 1.522 -0.369
460 HA GLN 58 HA GLN 58 18.711 3.135 -2.130
461 HB2 GLN 58 HB2 GLN 58 20.295 4.872 -1.140
462 HB3 GLN 58 HB1 GLN 58 21.607 4.005 -1.936
463 HG2 GLN 58 HG2 GLN 58 20.942 5.759 -3.433
464 HG3 GLN 58 HG1 GLN 58 20.307 4.256 -4.105
465 HE21 GLN 58 HE21 GLN 58 19.389 7.242 -2.410
466 HE22 GLN 58 HE22 GLN 58 17.722 7.093 -2.693
467 H ARG 59 HN ARG 59 21.490 1.112 -1.517
468 HA ARG 59 HA ARG 59 22.338 0.574 -4.162
469 HB2 ARG 59 HB2 ARG 59 22.171 -1.452 -1.913
470 HB3 ARG 59 HB1 ARG 59 23.276 -1.479 -3.288
471 HG2 ARG 59 HG2 ARG 59 24.269 0.663 -2.497
472 HG3 ARG 59 HG1 ARG 59 23.215 0.603 -1.084
473 HD2 ARG 59 HD2 ARG 59 25.362 -0.312 -0.445
474 HD3 ARG 59 HD1 ARG 59 24.208 -1.643 -0.528
475 HE ARG 59 HE ARG 59 25.333 -1.591 -3.058
476 HH11 ARG 59 HH21 ARG 59 26.484 -1.702 0.190
477 HH12 ARG 59 HH22 ARG 59 27.906 -2.609 -0.204
478 HH21 ARG 59 HH11 ARG 59 27.184 -2.775 -3.591
479 HH22 ARG 59 HH12 ARG 59 28.302 -3.216 -2.345
480 H ARG 60 HN ARG 60 19.317 0.026 -2.780
481 HA ARG 60 HA ARG 60 17.401 -1.014 -3.623
482 HB2 ARG 60 HB2 ARG 60 18.561 -0.231 -5.854
483 HB3 ARG 60 HB1 ARG 60 18.926 -1.943 -6.056
484 HG2 ARG 60 HG2 ARG 60 16.498 -2.453 -5.747
485 HG3 ARG 60 HG1 ARG 60 16.176 -0.719 -5.694
486 HD2 ARG 60 HD2 ARG 60 15.791 -1.542 -7.962
487 HD3 ARG 60 HD1 ARG 60 17.210 -0.493 -7.952
488 HE ARG 60 HE ARG 60 18.262 -3.027 -7.571
489 HH11 ARG 60 HH21 ARG 60 16.138 -1.513 -9.825
490 HH12 ARG 60 HH22 ARG 60 16.610 -2.523 -11.151
491 HH21 ARG 60 HH11 ARG 60 18.891 -4.355 -9.289
492 HH22 ARG 60 HH12 ARG 60 18.168 -4.132 -10.847
493 H ARG 61 HN ARG 61 20.444 -2.814 -3.904
494 HA ARG 61 HA ARG 61 19.173 -5.418 -3.880
495 HB2 ARG 61 HB2 ARG 61 22.007 -4.557 -3.224
496 HB3 ARG 61 HB1 ARG 61 21.482 -6.237 -3.357
497 HG2 ARG 61 HG2 ARG 61 20.788 -5.850 -5.686
498 HG3 ARG 61 HG1 ARG 61 21.281 -4.161 -5.560
499 HD2 ARG 61 HD2 ARG 61 23.115 -6.554 -5.230
500 HD3 ARG 61 HD1 ARG 61 23.031 -5.519 -6.655
501 HE ARG 61 HE ARG 61 23.539 -3.747 -4.590
502 HH11 ARG 61 HH21 ARG 61 24.923 -6.678 -5.764
503 HH12 ARG 61 HH22 ARG 61 26.535 -6.267 -5.280
504 HH21 ARG 61 HH11 ARG 61 25.636 -3.193 -3.952
505 HH22 ARG 61 HH12 ARG 61 26.938 -4.294 -4.254
506 H GLY 62 HN GLY 62 19.327 -3.065 -1.553
507 HA2 GLY 62 HA2 GLY 62 19.999 -4.568 0.801
508 HA3 GLY 62 HA1 GLY 62 19.047 -3.082 0.778
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 8.356 12.080 9.359
2 H2 MET 1 HT2 MET 1 7.585 10.621 9.765
3 H3 MET 1 HT3 MET 1 7.482 11.228 8.182
4 HA MET 1 HA MET 1 9.459 10.411 7.577
5 HB2 MET 1 HB2 MET 1 11.397 10.375 9.206
6 HB3 MET 1 HB1 MET 1 10.735 11.979 8.891
7 HG2 MET 1 HG2 MET 1 9.410 11.865 10.952
8 HG3 MET 1 HG1 MET 1 10.002 10.233 11.260
9 HE1 MET 1 HE1 MET 1 11.694 12.502 13.961
10 HE2 MET 1 HE2 MET 1 10.754 11.039 13.682
11 HE3 MET 1 HE3 MET 1 10.079 12.607 13.249
12 H VAL 2 HN VAL 2 7.246 9.145 9.466
13 HA VAL 2 HA VAL 2 8.555 6.471 9.514
14 HB VAL 2 HB VAL 2 7.378 6.166 11.830
15 HG11 VAL 2 HG11 VAL 2 9.781 6.095 11.663
16 HG12 VAL 2 HG12 VAL 2 9.385 7.185 12.991
17 HG13 VAL 2 HG13 VAL 2 9.872 7.841 11.428
18 HG21 VAL 2 HG21 VAL 2 6.167 8.358 11.699
19 HG22 VAL 2 HG22 VAL 2 7.723 9.182 11.782
20 HG23 VAL 2 HG23 VAL 2 7.166 8.213 13.145
21 H ARG 3 HN ARG 3 7.109 6.055 7.690
22 HA ARG 3 HA ARG 3 4.245 6.391 7.952
23 HB2 ARG 3 HB2 ARG 3 6.039 4.874 6.057
24 HB3 ARG 3 HB1 ARG 3 4.288 4.705 5.969
25 HG2 ARG 3 HG2 ARG 3 5.222 6.482 4.445
26 HG3 ARG 3 HG1 ARG 3 4.011 7.076 5.579
27 HD2 ARG 3 HD2 ARG 3 5.658 8.060 6.986
28 HD3 ARG 3 HD1 ARG 3 6.967 7.182 6.194
29 HE ARG 3 HE ARG 3 5.860 8.704 4.158
30 HH11 ARG 3 HH21 ARG 3 7.090 9.272 7.329
31 HH12 ARG 3 HH22 ARG 3 7.642 10.875 6.970
32 HH21 ARG 3 HH11 ARG 3 6.573 10.792 3.673
33 HH22 ARG 3 HH12 ARG 3 7.350 11.735 4.901
34 H GLN 4 HN GLN 4 6.062 4.620 9.852
35 HA GLN 4 HA GLN 4 5.403 1.945 9.819
36 HB2 GLN 4 HB2 GLN 4 5.317 3.752 12.249
37 HB3 GLN 4 HB1 GLN 4 5.472 1.996 12.285
38 HG2 GLN 4 HG2 GLN 4 7.566 2.181 10.950
39 HG3 GLN 4 HG1 GLN 4 7.428 3.938 11.022
40 HE21 GLN 4 HE21 GLN 4 9.721 2.961 12.146
41 HE22 GLN 4 HE22 GLN 4 9.636 2.984 13.840
42 H GLU 5 HN GLU 5 3.209 4.593 10.787
43 HA GLU 5 HA GLU 5 1.092 2.731 11.618
44 HB2 GLU 5 HB2 GLU 5 1.367 5.709 11.305
45 HB3 GLU 5 HB1 GLU 5 -0.264 5.040 11.322
46 HG2 GLU 5 HG2 GLU 5 1.780 4.362 13.451
47 HG3 GLU 5 HG1 GLU 5 0.682 5.735 13.592
48 H GLU 6 HN GLU 6 0.830 5.245 9.082
49 HA GLU 6 HA GLU 6 -1.266 4.091 7.670
50 HB2 GLU 6 HB2 GLU 6 -0.648 5.433 5.794
51 HB3 GLU 6 HB1 GLU 6 -0.141 6.330 7.223
52 HG2 GLU 6 HG2 GLU 6 1.763 6.486 5.872
53 HG3 GLU 6 HG1 GLU 6 2.154 5.085 6.866
54 H LEU 7 HN LEU 7 2.132 3.160 7.574
55 HA LEU 7 HA LEU 7 2.093 1.499 5.267
56 HB2 LEU 7 HB2 LEU 7 4.199 1.950 6.337
57 HB3 LEU 7 HB1 LEU 7 3.621 1.324 7.877
58 HG LEU 7 HG LEU 7 3.583 -0.942 7.023
59 HD11 LEU 7 HD11 LEU 7 4.454 -1.318 4.645
60 HD12 LEU 7 HD12 LEU 7 4.171 0.400 4.381
61 HD13 LEU 7 HD13 LEU 7 2.825 -0.662 4.777
62 HD21 LEU 7 HD21 LEU 7 5.996 -1.200 6.376
63 HD22 LEU 7 HD22 LEU 7 5.753 -0.198 7.807
64 HD23 LEU 7 HD23 LEU 7 6.102 0.557 6.253
65 H ALA 8 HN ALA 8 1.556 0.585 8.692
66 HA ALA 8 HA ALA 8 0.859 -2.104 8.287
67 HB1 ALA 8 HB1 ALA 8 -0.520 -1.832 10.396
68 HB2 ALA 8 HB2 ALA 8 -0.147 -0.109 10.328
69 HB3 ALA 8 HB3 ALA 8 1.152 -1.285 10.526
70 H ALA 9 HN ALA 9 -1.074 0.788 7.750
71 HA ALA 9 HA ALA 9 -3.605 -0.595 7.529
72 HB1 ALA 9 HB1 ALA 9 -3.360 1.866 7.952
73 HB2 ALA 9 HB2 ALA 9 -4.446 1.489 6.614
74 HB3 ALA 9 HB3 ALA 9 -2.807 2.052 6.287
75 H ALA 10 HN ALA 10 -1.062 0.269 5.217
76 HA ALA 10 HA ALA 10 -2.566 -0.409 2.859
77 HB1 ALA 10 HB1 ALA 10 0.436 -0.622 3.130
78 HB2 ALA 10 HB2 ALA 10 -0.384 0.933 3.002
79 HB3 ALA 10 HB3 ALA 10 -0.502 -0.236 1.688
80 H ARG 11 HN ARG 11 -0.380 -2.279 4.954
81 HA ARG 11 HA ARG 11 -0.315 -4.643 3.361
82 HB2 ARG 11 HB2 ARG 11 -0.065 -4.226 6.352
83 HB3 ARG 11 HB1 ARG 11 0.173 -5.791 5.577
84 HG2 ARG 11 HG2 ARG 11 1.938 -4.794 4.144
85 HG3 ARG 11 HG1 ARG 11 1.730 -3.258 4.985
86 HD2 ARG 11 HD2 ARG 11 2.367 -4.303 7.108
87 HD3 ARG 11 HD1 ARG 11 2.509 -5.871 6.313
88 HE ARG 11 HE ARG 11 4.229 -4.245 4.875
89 HH11 ARG 11 HH21 ARG 11 3.734 -5.052 8.190
90 HH12 ARG 11 HH22 ARG 11 5.401 -4.864 8.622
91 HH21 ARG 11 HH11 ARG 11 6.408 -3.994 5.420
92 HH22 ARG 11 HH12 ARG 11 6.915 -4.265 7.054
93 H ALA 12 HN ALA 12 -2.629 -3.440 5.741
94 HA ALA 12 HA ALA 12 -4.181 -5.831 5.997
95 HB1 ALA 12 HB1 ALA 12 -4.426 -3.953 7.557
96 HB2 ALA 12 HB2 ALA 12 -5.976 -4.309 6.795
97 HB3 ALA 12 HB3 ALA 12 -5.023 -2.927 6.253
98 H ALA 13 HN ALA 13 -4.343 -3.112 3.709
99 HA ALA 13 HA ALA 13 -6.771 -3.830 2.433
100 HB1 ALA 13 HB1 ALA 13 -5.202 -1.748 2.102
101 HB2 ALA 13 HB2 ALA 13 -6.175 -2.322 0.749
102 HB3 ALA 13 HB3 ALA 13 -4.460 -2.735 0.842
103 H LEU 14 HN LEU 14 -3.449 -4.990 1.899
104 HA LEU 14 HA LEU 14 -4.053 -6.594 -0.405
105 HB2 LEU 14 HB2 LEU 14 -1.744 -6.141 0.045
106 HB3 LEU 14 HB1 LEU 14 -1.866 -6.737 1.694
107 HG LEU 14 HG LEU 14 -2.213 -9.042 0.839
108 HD11 LEU 14 HD11 LEU 14 -3.310 -8.619 -1.266
109 HD12 LEU 14 HD12 LEU 14 -1.775 -9.404 -1.627
110 HD13 LEU 14 HD13 LEU 14 -1.948 -7.664 -1.846
111 HD21 LEU 14 HD21 LEU 14 0.082 -8.158 1.262
112 HD22 LEU 14 HD22 LEU 14 0.182 -7.687 -0.435
113 HD23 LEU 14 HD23 LEU 14 0.048 -9.392 0.001
114 H HIS 15 HN HIS 15 -4.336 -7.149 3.068
115 HA HIS 15 HA HIS 15 -4.905 -9.983 2.818
116 HB2 HIS 15 HB2 HIS 15 -3.974 -8.937 4.886
117 HB3 HIS 15 HB1 HIS 15 -5.518 -8.120 5.117
118 HD1 HIS 15 HD1 HIS 15 -4.244 -11.690 4.639
119 HD2 HIS 15 HD2 HIS 15 -7.317 -9.633 6.566
120 HE1 HIS 15 HE1 HIS 15 -5.539 -13.414 5.966
121 H ASP 16 HN ASP 16 -6.912 -7.080 3.217
122 HA ASP 16 HA ASP 16 -9.320 -8.668 3.363
123 HB2 ASP 16 HB2 ASP 16 -9.157 -6.418 4.379
124 HB3 ASP 16 HB1 ASP 16 -9.009 -5.714 2.769
125 H LEU 17 HN LEU 17 -7.686 -6.928 0.723
126 HA LEU 17 HA LEU 17 -9.864 -7.291 -1.132
127 HB2 LEU 17 HB2 LEU 17 -6.932 -6.675 -1.560
128 HB3 LEU 17 HB1 LEU 17 -8.038 -6.907 -2.907
129 HG LEU 17 HG LEU 17 -8.441 -4.877 -0.691
130 HD11 LEU 17 HD11 LEU 17 -7.271 -4.669 -3.473
131 HD12 LEU 17 HD12 LEU 17 -6.539 -4.172 -1.949
132 HD13 LEU 17 HD13 LEU 17 -7.900 -3.267 -2.610
133 HD21 LEU 17 HD21 LEU 17 -10.591 -5.148 -1.537
134 HD22 LEU 17 HD22 LEU 17 -10.024 -5.706 -3.109
135 HD23 LEU 17 HD23 LEU 17 -9.984 -3.990 -2.716
136 H MET 18 HN MET 18 -7.169 -9.377 -0.203
137 HA MET 18 HA MET 18 -7.932 -11.289 -2.373
138 HB2 MET 18 HB2 MET 18 -5.577 -10.802 -2.324
139 HB3 MET 18 HB1 MET 18 -5.500 -11.104 -0.588
140 HG2 MET 18 HG2 MET 18 -5.697 -13.422 -0.849
141 HG3 MET 18 HG1 MET 18 -6.455 -13.282 -2.436
142 HE1 MET 18 HE1 MET 18 -5.300 -13.621 -4.547
143 HE2 MET 18 HE2 MET 18 -3.775 -12.829 -4.938
144 HE3 MET 18 HE3 MET 18 -5.137 -11.869 -4.366
145 H THR 19 HN THR 19 -8.801 -10.734 0.774
146 HA THR 19 HA THR 19 -8.914 -13.627 1.500
147 HB THR 19 HB THR 19 -9.483 -11.098 3.067
148 HG1 THR 19 HG1 THR 19 -7.781 -12.388 4.334
149 HG21 THR 19 HG21 THR 19 -9.717 -12.775 4.992
150 HG22 THR 19 HG22 THR 19 -9.946 -14.001 3.744
151 HG23 THR 19 HG23 THR 19 -11.079 -12.657 3.878
152 H GLY 20 HN GLY 20 -10.941 -11.017 0.363
153 HA2 GLY 20 HA2 GLY 20 -13.069 -12.661 -0.425
154 HA3 GLY 20 HA1 GLY 20 -13.457 -12.150 1.218
155 H LYS 21 HN LYS 21 -13.319 -9.709 1.586
156 HA LYS 21 HA LYS 21 -15.101 -8.298 -0.011
157 HB2 LYS 21 HB2 LYS 21 -12.716 -7.019 1.351
158 HB3 LYS 21 HB1 LYS 21 -14.273 -6.268 1.004
159 HG2 LYS 21 HG2 LYS 21 -15.295 -8.146 2.457
160 HG3 LYS 21 HG1 LYS 21 -13.647 -8.431 3.018
161 HD2 LYS 21 HD2 LYS 21 -13.475 -6.104 3.775
162 HD3 LYS 21 HD1 LYS 21 -15.096 -5.770 3.164
163 HE2 LYS 21 HE2 LYS 21 -16.028 -7.449 4.715
164 HE3 LYS 21 HE1 LYS 21 -14.408 -7.778 5.330
165 HZ1 LYS 21 HZ1 LYS 21 -14.892 -5.005 5.382
166 HZ2 LYS 21 HZ2 LYS 21 -14.574 -6.051 6.681
167 HZ3 LYS 21 HZ3 LYS 21 -16.172 -5.799 6.161
168 H ARG 22 HN ARG 22 -15.014 -7.343 -1.995
169 HA ARG 22 HA ARG 22 -12.481 -7.556 -3.523
170 HB2 ARG 22 HB2 ARG 22 -14.135 -6.714 -5.396
171 HB3 ARG 22 HB1 ARG 22 -14.248 -8.376 -4.817
172 HG2 ARG 22 HG2 ARG 22 -16.117 -7.875 -3.427
173 HG3 ARG 22 HG1 ARG 22 -15.868 -6.137 -3.593
174 HD2 ARG 22 HD2 ARG 22 -16.551 -6.167 -5.889
175 HD3 ARG 22 HD1 ARG 22 -16.500 -7.929 -5.948
176 HE ARG 22 HE ARG 22 -18.360 -7.380 -3.965
177 HH11 ARG 22 HH21 ARG 22 -17.848 -6.466 -7.249
178 HH12 ARG 22 HH22 ARG 22 -19.534 -6.276 -7.600
179 HH21 ARG 22 HH11 ARG 22 -20.565 -7.137 -4.402
180 HH22 ARG 22 HH12 ARG 22 -21.072 -6.657 -5.987
181 H VAL 23 HN VAL 23 -14.276 -5.185 -1.819
182 HA VAL 23 HA VAL 23 -12.843 -2.983 -3.279
183 HB VAL 23 HB VAL 23 -15.445 -3.103 -3.246
184 HG11 VAL 23 HG11 VAL 23 -16.561 -2.228 -1.327
185 HG12 VAL 23 HG12 VAL 23 -15.040 -1.799 -0.547
186 HG13 VAL 23 HG13 VAL 23 -15.495 -3.492 -0.720
187 HG21 VAL 23 HG21 VAL 23 -15.560 -0.610 -3.039
188 HG22 VAL 23 HG22 VAL 23 -14.235 -1.165 -4.062
189 HG23 VAL 23 HG23 VAL 23 -13.911 -0.625 -2.415
190 H ALA 24 HN ALA 24 -11.850 -1.361 -2.086
191 HA ALA 24 HA ALA 24 -11.776 -1.497 0.859
192 HB1 ALA 24 HB1 ALA 24 -9.311 -1.918 -0.865
193 HB2 ALA 24 HB2 ALA 24 -9.992 -3.064 0.288
194 HB3 ALA 24 HB3 ALA 24 -9.261 -1.565 0.861
195 H THR 25 HN THR 25 -10.912 0.515 1.745
196 HA THR 25 HA THR 25 -10.327 2.660 -0.261
197 HB THR 25 HB THR 25 -12.224 3.119 2.049
198 HG1 THR 25 HG1 THR 25 -12.711 2.157 -0.555
199 HG21 THR 25 HG21 THR 25 -11.187 5.088 1.033
200 HG22 THR 25 HG22 THR 25 -12.904 5.026 0.632
201 HG23 THR 25 HG23 THR 25 -11.701 4.549 -0.567
202 H VAL 26 HN VAL 26 -8.930 4.275 0.524
203 HA VAL 26 HA VAL 26 -8.173 4.234 3.397
204 HB VAL 26 HB VAL 26 -5.713 4.312 2.674
205 HG11 VAL 26 HG11 VAL 26 -6.831 2.349 3.760
206 HG12 VAL 26 HG12 VAL 26 -5.519 1.894 2.676
207 HG13 VAL 26 HG13 VAL 26 -7.193 1.719 2.153
208 HG21 VAL 26 HG21 VAL 26 -6.752 2.931 0.202
209 HG22 VAL 26 HG22 VAL 26 -5.107 3.467 0.547
210 HG23 VAL 26 HG23 VAL 26 -6.371 4.653 0.229
211 H GLN 27 HN GLN 27 -6.500 6.106 3.737
212 HA GLN 27 HA GLN 27 -7.499 8.476 2.199
213 HB2 GLN 27 HB2 GLN 27 -7.839 8.405 4.699
214 HB3 GLN 27 HB1 GLN 27 -6.085 8.407 4.884
215 HG2 GLN 27 HG2 GLN 27 -5.921 10.552 3.743
216 HG3 GLN 27 HG1 GLN 27 -7.652 10.537 3.401
217 HE21 GLN 27 HE21 GLN 27 -8.665 9.660 5.900
218 HE22 GLN 27 HE22 GLN 27 -8.313 10.826 7.081
219 H LYS 28 HN LYS 28 -6.092 9.309 0.760
220 HA LYS 28 HA LYS 28 -3.151 9.130 1.323
221 HB2 LYS 28 HB2 LYS 28 -4.262 8.838 -1.470
222 HB3 LYS 28 HB1 LYS 28 -2.663 8.404 -0.864
223 HG2 LYS 28 HG2 LYS 28 -3.870 6.711 0.644
224 HG3 LYS 28 HG1 LYS 28 -5.289 6.995 -0.365
225 HD2 LYS 28 HD2 LYS 28 -2.577 6.079 -1.371
226 HD3 LYS 28 HD1 LYS 28 -3.993 5.047 -1.169
227 HE2 LYS 28 HE2 LYS 28 -5.206 6.708 -2.724
228 HE3 LYS 28 HE1 LYS 28 -3.599 7.318 -3.121
229 HZ1 LYS 28 HZ1 LYS 28 -3.410 4.577 -3.266
230 HZ2 LYS 28 HZ2 LYS 28 -3.450 5.668 -4.568
231 HZ3 LYS 28 HZ3 LYS 28 -4.887 4.951 -4.013
232 H ASP 29 HN ASP 29 -2.479 11.194 1.525
233 HA ASP 29 HA ASP 29 -2.309 13.510 1.177
234 HB2 ASP 29 HB2 ASP 29 -3.130 12.768 -1.650
235 HB3 ASP 29 HB1 ASP 29 -2.245 14.212 -1.153
236 H GLY 30 HN GLY 30 -4.598 13.146 2.472
237 HA2 GLY 30 HA2 GLY 30 -6.797 13.910 2.781
238 HA3 GLY 30 HA1 GLY 30 -6.263 15.288 1.819
239 H ARG 31 HN ARG 31 -5.929 12.453 -0.010
240 HA ARG 31 HA ARG 31 -8.559 12.967 -1.370
241 HB2 ARG 31 HB2 ARG 31 -6.373 13.440 -2.629
242 HB3 ARG 31 HB1 ARG 31 -6.101 11.701 -2.598
243 HG2 ARG 31 HG2 ARG 31 -7.209 11.896 -4.634
244 HG3 ARG 31 HG1 ARG 31 -8.582 11.613 -3.566
245 HD2 ARG 31 HD2 ARG 31 -9.115 13.494 -4.996
246 HD3 ARG 31 HD1 ARG 31 -8.844 14.116 -3.369
247 HE ARG 31 HE ARG 31 -6.356 14.308 -4.569
248 HH11 ARG 31 HH21 ARG 31 -9.573 15.306 -5.306
249 HH12 ARG 31 HH22 ARG 31 -9.077 16.719 -6.177
250 HH21 ARG 31 HH11 ARG 31 -5.690 16.146 -5.702
251 HH22 ARG 31 HH12 ARG 31 -6.878 17.195 -6.401
252 H ARG 32 HN ARG 32 -9.930 11.289 -1.615
253 HA ARG 32 HA ARG 32 -9.145 8.661 -0.446
254 HB2 ARG 32 HB2 ARG 32 -11.741 10.111 -0.927
255 HB3 ARG 32 HB1 ARG 32 -11.757 8.357 -0.769
256 HG2 ARG 32 HG2 ARG 32 -10.711 8.489 1.421
257 HG3 ARG 32 HG1 ARG 32 -10.498 10.232 1.254
258 HD2 ARG 32 HD2 ARG 32 -12.978 10.470 1.076
259 HD3 ARG 32 HD1 ARG 32 -13.130 8.741 1.403
260 HE ARG 32 HE ARG 32 -11.605 9.685 3.516
261 HH11 ARG 32 HH21 ARG 32 -14.616 10.497 2.046
262 HH12 ARG 32 HH22 ARG 32 -15.331 11.069 3.516
263 HH21 ARG 32 HH11 ARG 32 -12.521 10.427 5.444
264 HH22 ARG 32 HH12 ARG 32 -14.145 11.029 5.440
265 H VAL 33 HN VAL 33 -8.986 6.862 -1.739
266 HA VAL 33 HA VAL 33 -10.071 6.952 -4.523
267 HB VAL 33 HB VAL 33 -7.256 6.073 -3.790
268 HG11 VAL 33 HG11 VAL 33 -8.798 6.147 -6.405
269 HG12 VAL 33 HG12 VAL 33 -8.160 4.719 -5.591
270 HG13 VAL 33 HG13 VAL 33 -7.056 5.895 -6.303
271 HG21 VAL 33 HG21 VAL 33 -6.722 8.001 -5.445
272 HG22 VAL 33 HG22 VAL 33 -7.221 8.452 -3.818
273 HG23 VAL 33 HG23 VAL 33 -8.375 8.539 -5.147
274 H GLU 34 HN GLU 34 -10.778 4.992 -5.264
275 HA GLU 34 HA GLU 34 -10.939 2.810 -3.236
276 HB2 GLU 34 HB2 GLU 34 -12.415 3.172 -5.866
277 HB3 GLU 34 HB1 GLU 34 -12.741 1.927 -4.661
278 HG2 GLU 34 HG2 GLU 34 -13.254 3.697 -2.997
279 HG3 GLU 34 HG1 GLU 34 -12.992 4.920 -4.241
280 H PHE 35 HN PHE 35 -10.487 0.611 -3.870
281 HA PHE 35 HA PHE 35 -8.828 0.236 -6.342
282 HB2 PHE 35 HB2 PHE 35 -8.098 -0.348 -3.470
283 HB3 PHE 35 HB1 PHE 35 -7.405 -1.303 -4.781
284 HD1 PHE 35 HD2 PHE 35 -6.509 0.153 -6.826
285 HD2 PHE 35 HD1 PHE 35 -6.929 1.578 -2.800
286 HE1 PHE 35 HE2 PHE 35 -4.830 1.918 -7.282
287 HE2 PHE 35 HE1 PHE 35 -5.242 3.342 -3.251
288 HZ PHE 35 HZ PHE 35 -4.199 3.516 -5.493
289 H THR 36 HN THR 36 -9.301 -1.663 -7.364
290 HA THR 36 HA THR 36 -11.093 -3.619 -5.946
291 HB THR 36 HB THR 36 -11.836 -4.168 -8.349
292 HG1 THR 36 HG1 THR 36 -11.469 -1.782 -9.347
293 HG21 THR 36 HG21 THR 36 -12.460 -1.410 -7.264
294 HG22 THR 36 HG22 THR 36 -13.200 -2.907 -6.698
295 HG23 THR 36 HG23 THR 36 -13.474 -2.360 -8.352
296 H ALA 37 HN ALA 37 -10.714 -5.849 -6.414
297 HA ALA 37 HA ALA 37 -8.089 -6.734 -6.441
298 HB1 ALA 37 HB1 ALA 37 -10.226 -8.101 -6.101
299 HB2 ALA 37 HB2 ALA 37 -8.910 -8.909 -6.953
300 HB3 ALA 37 HB3 ALA 37 -10.278 -8.259 -7.857
301 H THR 38 HN THR 38 -9.802 -5.429 -9.168
302 HA THR 38 HA THR 38 -8.301 -6.757 -11.227
303 HB THR 38 HB THR 38 -9.534 -4.008 -11.457
304 HG1 THR 38 HG1 THR 38 -10.995 -5.472 -10.463
305 HG21 THR 38 HG21 THR 38 -9.142 -6.321 -13.376
306 HG22 THR 38 HG22 THR 38 -8.271 -4.788 -13.394
307 HG23 THR 38 HG23 THR 38 -9.994 -4.827 -13.764
308 H SER 39 HN SER 39 -7.578 -4.042 -9.124
309 HA SER 39 HA SER 39 -5.135 -3.447 -10.788
310 HB2 SER 39 HB2 SER 39 -5.125 -1.251 -9.752
311 HB3 SER 39 HB1 SER 39 -6.707 -1.543 -10.464
312 HG SER 39 HG SER 39 -6.119 -2.160 -7.764
313 H VAL 40 HN VAL 40 -5.769 -5.466 -8.475
314 HA VAL 40 HA VAL 40 -4.357 -4.836 -6.147
315 HB VAL 40 HB VAL 40 -5.610 -6.961 -6.558
316 HG11 VAL 40 HG11 VAL 40 -3.147 -7.765 -8.132
317 HG12 VAL 40 HG12 VAL 40 -4.735 -7.427 -8.823
318 HG13 VAL 40 HG13 VAL 40 -4.518 -8.803 -7.745
319 HG21 VAL 40 HG21 VAL 40 -3.924 -6.754 -4.693
320 HG22 VAL 40 HG22 VAL 40 -2.745 -7.524 -5.753
321 HG23 VAL 40 HG23 VAL 40 -4.185 -8.405 -5.248
322 H SER 41 HN SER 41 -3.107 -4.920 -9.314
323 HA SER 41 HA SER 41 -0.363 -5.622 -8.532
324 HB2 SER 41 HB2 SER 41 0.177 -5.159 -10.877
325 HB3 SER 41 HB1 SER 41 -1.240 -6.200 -10.772
326 HG SER 41 HG SER 41 -2.210 -4.709 -11.878
327 H ASP 42 HN ASP 42 -1.954 -2.639 -9.784
328 HA ASP 42 HA ASP 42 0.345 -1.002 -9.470
329 HB2 ASP 42 HB2 ASP 42 -1.133 0.908 -9.611
330 HB3 ASP 42 HB1 ASP 42 -1.709 -0.327 -10.728
331 H LEU 43 HN LEU 43 -1.895 -2.242 -7.092
332 HA LEU 43 HA LEU 43 -1.176 -0.290 -5.056
333 HB2 LEU 43 HB2 LEU 43 -3.301 -1.623 -4.986
334 HB3 LEU 43 HB1 LEU 43 -2.330 -3.065 -4.705
335 HG LEU 43 HG LEU 43 -1.326 -1.623 -2.699
336 HD11 LEU 43 HD11 LEU 43 -4.118 -0.509 -2.710
337 HD12 LEU 43 HD12 LEU 43 -2.828 0.350 -3.542
338 HD13 LEU 43 HD13 LEU 43 -2.706 0.039 -1.811
339 HD21 LEU 43 HD21 LEU 43 -2.583 -3.748 -2.478
340 HD22 LEU 43 HD22 LEU 43 -4.096 -2.853 -2.575
341 HD23 LEU 43 HD23 LEU 43 -3.010 -2.603 -1.208
342 H LYS 44 HN LYS 44 -0.116 -3.580 -5.943
343 HA LYS 44 HA LYS 44 1.652 -4.073 -3.805
344 HB2 LYS 44 HB2 LYS 44 1.564 -4.878 -6.691
345 HB3 LYS 44 HB1 LYS 44 3.081 -5.154 -5.840
346 HG2 LYS 44 HG2 LYS 44 1.878 -6.423 -4.099
347 HG3 LYS 44 HG1 LYS 44 0.359 -6.154 -4.954
348 HD2 LYS 44 HD2 LYS 44 1.306 -7.311 -6.946
349 HD3 LYS 44 HD1 LYS 44 2.773 -7.644 -6.025
350 HE2 LYS 44 HE2 LYS 44 -0.002 -8.738 -5.601
351 HE3 LYS 44 HE1 LYS 44 1.516 -9.618 -5.767
352 HZ1 LYS 44 HZ1 LYS 44 2.206 -8.507 -3.642
353 HZ2 LYS 44 HZ2 LYS 44 0.964 -9.657 -3.494
354 HZ3 LYS 44 HZ3 LYS 44 0.598 -7.999 -3.463
355 H LYS 45 HN LYS 45 2.083 -1.987 -6.638
356 HA LYS 45 HA LYS 45 4.880 -1.435 -6.123
357 HB2 LYS 45 HB2 LYS 45 2.786 0.088 -7.703
358 HB3 LYS 45 HB1 LYS 45 4.503 0.496 -7.684
359 HG2 LYS 45 HG2 LYS 45 5.021 -1.806 -8.496
360 HG3 LYS 45 HG1 LYS 45 3.289 -2.125 -8.610
361 HD2 LYS 45 HD2 LYS 45 3.071 -0.198 -10.176
362 HD3 LYS 45 HD1 LYS 45 4.822 0.014 -10.118
363 HE2 LYS 45 HE2 LYS 45 4.297 -1.296 -12.085
364 HE3 LYS 45 HE1 LYS 45 5.061 -2.365 -10.908
365 HZ1 LYS 45 HZ1 LYS 45 2.635 -2.787 -10.169
366 HZ2 LYS 45 HZ2 LYS 45 3.235 -3.575 -11.550
367 HZ3 LYS 45 HZ3 LYS 45 2.236 -2.211 -11.714
368 H TYR 46 HN TYR 46 1.862 0.316 -5.383
369 HA TYR 46 HA TYR 46 2.956 2.610 -4.171
370 HB2 TYR 46 HB2 TYR 46 0.559 2.330 -4.602
371 HB3 TYR 46 HB1 TYR 46 0.482 1.046 -3.402
372 HD1 TYR 46 HD1 TYR 46 1.786 4.566 -3.624
373 HD2 TYR 46 HD2 TYR 46 -0.380 1.658 -1.317
374 HE1 TYR 46 HE1 TYR 46 1.385 6.261 -1.860
375 HE2 TYR 46 HE2 TYR 46 -0.784 3.356 0.446
376 HH TYR 46 HH TYR 46 -0.717 6.376 0.134
377 H ILE 47 HN ILE 47 2.717 -0.674 -2.960
378 HA ILE 47 HA ILE 47 3.366 0.053 -0.208
379 HB ILE 47 HB ILE 47 3.306 -2.603 -1.667
380 HG12 ILE 47 HG12 ILE 47 1.534 -1.520 0.543
381 HG13 ILE 47 HG11 ILE 47 1.141 -1.361 -1.167
382 HG21 ILE 47 HG21 ILE 47 3.988 -1.919 1.200
383 HG22 ILE 47 HG22 ILE 47 4.911 -2.908 0.070
384 HG23 ILE 47 HG23 ILE 47 3.396 -3.514 0.738
385 HD11 ILE 47 HD11 ILE 47 1.673 -4.001 0.221
386 HD12 ILE 47 HD12 ILE 47 1.126 -3.778 -1.441
387 HD13 ILE 47 HD13 ILE 47 0.065 -3.352 -0.099
388 H ALA 48 HN ALA 48 5.128 -0.947 -3.082
389 HA ALA 48 HA ALA 48 7.643 -1.391 -1.706
390 HB1 ALA 48 HB1 ALA 48 7.085 -0.817 -4.630
391 HB2 ALA 48 HB2 ALA 48 7.160 -2.418 -3.894
392 HB3 ALA 48 HB3 ALA 48 8.609 -1.416 -3.976
393 H GLU 49 HN GLU 49 6.176 1.359 -3.412
394 HA GLU 49 HA GLU 49 8.520 3.016 -3.347
395 HB2 GLU 49 HB2 GLU 49 6.459 3.361 -4.791
396 HB3 GLU 49 HB1 GLU 49 5.662 4.003 -3.355
397 HG2 GLU 49 HG2 GLU 49 6.560 5.897 -4.500
398 HG3 GLU 49 HG1 GLU 49 7.637 5.604 -3.134
399 H LEU 50 HN LEU 50 5.901 2.500 -1.002
400 HA LEU 50 HA LEU 50 6.733 4.739 0.661
401 HB2 LEU 50 HB2 LEU 50 4.949 2.355 1.250
402 HB3 LEU 50 HB1 LEU 50 5.384 3.524 2.486
403 HG LEU 50 HG LEU 50 4.054 4.244 -0.146
404 HD11 LEU 50 HD11 LEU 50 2.315 3.164 0.953
405 HD12 LEU 50 HD12 LEU 50 2.133 4.777 1.627
406 HD13 LEU 50 HD13 LEU 50 2.950 3.520 2.557
407 HD21 LEU 50 HD21 LEU 50 5.070 5.817 2.203
408 HD22 LEU 50 HD22 LEU 50 3.551 6.344 1.481
409 HD23 LEU 50 HD23 LEU 50 5.007 6.258 0.497
410 H GLU 51 HN GLU 51 7.646 1.336 0.476
411 HA GLU 51 HA GLU 51 9.049 1.299 2.990
412 HB2 GLU 51 HB2 GLU 51 9.259 -0.393 0.492
413 HB3 GLU 51 HB1 GLU 51 10.346 -0.633 1.859
414 HG2 GLU 51 HG2 GLU 51 7.333 -0.620 2.117
415 HG3 GLU 51 HG1 GLU 51 8.278 -2.089 1.875
416 H VAL 52 HN VAL 52 9.888 2.464 -0.223
417 HA VAL 52 HA VAL 52 12.734 2.727 0.439
418 HB VAL 52 HB VAL 52 11.086 3.744 -1.896
419 HG11 VAL 52 HG11 VAL 52 12.929 5.251 -1.688
420 HG12 VAL 52 HG12 VAL 52 13.408 4.082 -2.917
421 HG13 VAL 52 HG13 VAL 52 14.041 3.946 -1.278
422 HG21 VAL 52 HG21 VAL 52 12.971 1.412 -1.479
423 HG22 VAL 52 HG22 VAL 52 12.540 1.997 -3.084
424 HG23 VAL 52 HG23 VAL 52 11.291 1.366 -2.013
425 H GLN 53 HN GLN 53 9.865 4.649 0.832
426 HA GLN 53 HA GLN 53 11.425 7.154 1.138
427 HB2 GLN 53 HB2 GLN 53 8.456 6.555 1.360
428 HB3 GLN 53 HB1 GLN 53 9.161 8.149 1.628
429 HG2 GLN 53 HG2 GLN 53 10.075 8.149 -0.650
430 HG3 GLN 53 HG1 GLN 53 9.423 6.533 -0.924
431 HE21 GLN 53 HE21 GLN 53 8.641 8.832 -2.509
432 HE22 GLN 53 HE22 GLN 53 6.995 9.124 -2.214
433 H THR 54 HN THR 54 10.536 4.499 2.994
434 HA THR 54 HA THR 54 10.909 6.042 5.540
435 HB THR 54 HB THR 54 8.733 4.313 4.669
436 HG1 THR 54 HG1 THR 54 9.275 5.855 6.980
437 HG21 THR 54 HG21 THR 54 8.509 3.024 6.799
438 HG22 THR 54 HG22 THR 54 10.144 3.517 7.237
439 HG23 THR 54 HG23 THR 54 9.880 2.494 5.824
440 H GLY 55 HN GLY 55 11.839 3.406 3.512
441 HA2 GLY 55 HA2 GLY 55 13.029 1.613 5.314
442 HA3 GLY 55 HA1 GLY 55 13.644 1.920 3.687
443 H MET 56 HN MET 56 15.610 1.412 5.453
444 HA MET 56 HA MET 56 16.977 4.009 5.681
445 HB2 MET 56 HB2 MET 56 16.360 2.284 8.099
446 HB3 MET 56 HB1 MET 56 17.562 3.573 8.094
447 HG2 MET 56 HG2 MET 56 15.679 5.114 7.277
448 HG3 MET 56 HG1 MET 56 14.572 3.816 7.723
449 HE1 MET 56 HE1 MET 56 14.290 6.693 9.046
450 HE2 MET 56 HE2 MET 56 13.872 6.098 10.650
451 HE3 MET 56 HE3 MET 56 13.298 5.240 9.221
452 H THR 57 HN THR 57 17.983 2.451 3.935
453 HA THR 57 HA THR 57 19.469 0.146 4.765
454 HB THR 57 HB THR 57 19.030 0.736 2.349
455 HG1 THR 57 HG1 THR 57 20.607 -0.609 2.168
456 HG21 THR 57 HG21 THR 57 21.329 2.685 2.701
457 HG22 THR 57 HG22 THR 57 19.638 3.195 2.730
458 HG23 THR 57 HG23 THR 57 20.309 2.455 1.276
459 H GLN 58 HN GLN 58 22.094 0.617 3.975
460 HA GLN 58 HA GLN 58 23.276 2.926 5.166
461 HB2 GLN 58 HB2 GLN 58 22.513 1.902 7.282
462 HB3 GLN 58 HB1 GLN 58 23.344 0.405 6.862
463 HG2 GLN 58 HG2 GLN 58 25.497 1.502 6.940
464 HG3 GLN 58 HG1 GLN 58 24.736 3.081 7.136
465 HE21 GLN 58 HE21 GLN 58 23.120 3.086 9.164
466 HE22 GLN 58 HE22 GLN 58 23.739 2.362 10.569
467 H ARG 59 HN ARG 59 24.814 2.966 3.559
468 HA ARG 59 HA ARG 59 26.120 0.526 2.630
469 HB2 ARG 59 HB2 ARG 59 25.674 2.542 1.178
470 HB3 ARG 59 HB1 ARG 59 26.919 3.399 2.087
471 HG2 ARG 59 HG2 ARG 59 28.569 1.677 1.462
472 HG3 ARG 59 HG1 ARG 59 27.330 0.816 0.551
473 HD2 ARG 59 HD2 ARG 59 27.153 3.379 -0.506
474 HD3 ARG 59 HD1 ARG 59 28.881 3.217 -0.214
475 HE ARG 59 HE ARG 59 27.527 2.076 -2.390
476 HH11 ARG 59 HH21 ARG 59 29.518 0.980 0.213
477 HH12 ARG 59 HH22 ARG 59 30.016 -0.457 -0.610
478 HH21 ARG 59 HH11 ARG 59 28.183 0.218 -3.467
479 HH22 ARG 59 HH12 ARG 59 29.268 -0.886 -2.689
480 H ARG 60 HN ARG 60 26.726 2.931 5.059
481 HA ARG 60 HA ARG 60 28.998 1.407 6.055
482 HB2 ARG 60 HB2 ARG 60 29.931 2.895 4.182
483 HB3 ARG 60 HB1 ARG 60 29.547 4.267 5.221
484 HG2 ARG 60 HG2 ARG 60 31.063 3.528 6.917
485 HG3 ARG 60 HG1 ARG 60 31.248 1.944 6.164
486 HD2 ARG 60 HD2 ARG 60 32.037 4.505 4.766
487 HD3 ARG 60 HD1 ARG 60 33.159 3.592 5.775
488 HE ARG 60 HE ARG 60 32.160 1.697 4.019
489 HH11 ARG 60 HH21 ARG 60 33.627 4.808 3.777
490 HH12 ARG 60 HH22 ARG 60 34.378 4.482 2.250
491 HH21 ARG 60 HH11 ARG 60 33.131 1.254 2.027
492 HH22 ARG 60 HH12 ARG 60 34.097 2.470 1.259
493 H ARG 61 HN ARG 61 29.940 2.672 8.060
494 HA ARG 61 HA ARG 61 27.807 3.248 9.846
495 HB2 ARG 61 HB2 ARG 61 30.698 4.152 10.040
496 HB3 ARG 61 HB1 ARG 61 29.548 4.064 11.374
497 HG2 ARG 61 HG2 ARG 61 29.331 1.630 11.033
498 HG3 ARG 61 HG1 ARG 61 30.481 1.714 9.699
499 HD2 ARG 61 HD2 ARG 61 32.223 2.531 11.220
500 HD3 ARG 61 HD1 ARG 61 31.078 2.517 12.562
501 HE ARG 61 HE ARG 61 31.013 -0.086 11.617
502 HH11 ARG 61 HH21 ARG 61 33.439 2.149 12.624
503 HH12 ARG 61 HH22 ARG 61 34.507 0.924 13.224
504 HH21 ARG 61 HH11 ARG 61 32.394 -1.697 12.393
505 HH22 ARG 61 HH12 ARG 61 33.916 -1.254 13.093
506 H GLY 62 HN GLY 62 30.086 5.503 8.249
507 HA2 GLY 62 HA2 GLY 62 28.108 7.467 7.677
508 HA3 GLY 62 HA1 GLY 62 28.875 7.893 9.207
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 8.894 10.463 9.093
2 H2 MET 1 HT2 MET 1 9.065 11.262 7.603
3 H3 MET 1 HT3 MET 1 10.273 11.403 8.790
4 HA MET 1 HA MET 1 9.977 9.442 6.768
5 HB2 MET 1 HB2 MET 1 12.053 9.957 8.921
6 HB3 MET 1 HB1 MET 1 12.276 8.872 7.548
7 HG2 MET 1 HG2 MET 1 11.911 10.761 5.998
8 HG3 MET 1 HG1 MET 1 11.704 11.845 7.374
9 HE1 MET 1 HE1 MET 1 13.532 13.468 6.632
10 HE2 MET 1 HE2 MET 1 13.670 12.509 5.160
11 HE3 MET 1 HE3 MET 1 15.124 12.979 6.037
12 H VAL 2 HN VAL 2 7.967 8.918 8.709
13 HA VAL 2 HA VAL 2 8.815 6.195 9.577
14 HB VAL 2 HB VAL 2 7.231 7.970 11.448
15 HG11 VAL 2 HG11 VAL 2 7.212 5.610 12.003
16 HG12 VAL 2 HG12 VAL 2 8.279 6.430 13.141
17 HG13 VAL 2 HG13 VAL 2 8.964 5.503 11.807
18 HG21 VAL 2 HG21 VAL 2 9.282 9.206 11.047
19 HG22 VAL 2 HG22 VAL 2 10.249 7.742 11.240
20 HG23 VAL 2 HG23 VAL 2 9.399 8.429 12.625
21 H ARG 3 HN ARG 3 7.397 5.695 7.641
22 HA ARG 3 HA ARG 3 4.552 6.369 7.863
23 HB2 ARG 3 HB2 ARG 3 6.228 4.716 5.972
24 HB3 ARG 3 HB1 ARG 3 4.469 4.625 5.911
25 HG2 ARG 3 HG2 ARG 3 5.477 6.328 4.340
26 HG3 ARG 3 HG1 ARG 3 4.291 6.991 5.462
27 HD2 ARG 3 HD2 ARG 3 5.980 7.935 6.852
28 HD3 ARG 3 HD1 ARG 3 7.252 7.000 6.067
29 HE ARG 3 HE ARG 3 6.194 8.528 4.014
30 HH11 ARG 3 HH21 ARG 3 7.436 9.104 7.176
31 HH12 ARG 3 HH22 ARG 3 8.042 10.681 6.796
32 HH21 ARG 3 HH11 ARG 3 6.979 10.585 3.497
33 HH22 ARG 3 HH12 ARG 3 7.784 11.519 4.713
34 H GLN 4 HN GLN 4 6.233 4.557 9.807
35 HA GLN 4 HA GLN 4 5.447 1.918 9.851
36 HB2 GLN 4 HB2 GLN 4 5.462 3.836 12.194
37 HB3 GLN 4 HB1 GLN 4 5.441 2.078 12.335
38 HG2 GLN 4 HG2 GLN 4 7.572 3.583 10.799
39 HG3 GLN 4 HG1 GLN 4 7.743 3.139 12.497
40 HE21 GLN 4 HE21 GLN 4 7.737 1.888 9.210
41 HE22 GLN 4 HE22 GLN 4 8.170 0.297 9.613
42 H GLU 5 HN GLU 5 3.389 4.685 10.815
43 HA GLU 5 HA GLU 5 1.166 2.977 11.642
44 HB2 GLU 5 HB2 GLU 5 1.412 5.927 10.993
45 HB3 GLU 5 HB1 GLU 5 -0.119 5.187 11.466
46 HG2 GLU 5 HG2 GLU 5 0.960 6.102 13.449
47 HG3 GLU 5 HG1 GLU 5 0.986 4.341 13.545
48 H GLU 6 HN GLU 6 1.030 5.408 9.028
49 HA GLU 6 HA GLU 6 -1.113 4.307 7.640
50 HB2 GLU 6 HB2 GLU 6 0.027 5.316 5.542
51 HB3 GLU 6 HB1 GLU 6 -0.368 6.409 6.865
52 HG2 GLU 6 HG2 GLU 6 2.340 5.082 6.760
53 HG3 GLU 6 HG1 GLU 6 2.020 6.523 5.798
54 H LEU 7 HN LEU 7 2.281 3.305 7.496
55 HA LEU 7 HA LEU 7 2.201 1.593 5.258
56 HB2 LEU 7 HB2 LEU 7 4.299 1.956 6.391
57 HB3 LEU 7 HB1 LEU 7 3.651 1.342 7.908
58 HG LEU 7 HG LEU 7 3.537 -0.910 7.037
59 HD11 LEU 7 HD11 LEU 7 4.233 0.423 4.416
60 HD12 LEU 7 HD12 LEU 7 2.842 -0.594 4.778
61 HD13 LEU 7 HD13 LEU 7 4.449 -1.307 4.673
62 HD21 LEU 7 HD21 LEU 7 6.140 0.461 6.307
63 HD22 LEU 7 HD22 LEU 7 5.943 -1.284 6.468
64 HD23 LEU 7 HD23 LEU 7 5.723 -0.238 7.871
65 H ALA 8 HN ALA 8 1.538 0.754 8.674
66 HA ALA 8 HA ALA 8 0.740 -1.908 8.315
67 HB1 ALA 8 HB1 ALA 8 -0.731 -1.477 10.365
68 HB2 ALA 8 HB2 ALA 8 -0.179 0.196 10.278
69 HB3 ALA 8 HB3 ALA 8 0.983 -1.103 10.542
70 H ALA 9 HN ALA 9 -1.125 1.050 7.776
71 HA ALA 9 HA ALA 9 -3.674 -0.245 7.468
72 HB1 ALA 9 HB1 ALA 9 -4.453 1.841 6.633
73 HB2 ALA 9 HB2 ALA 9 -2.845 2.309 6.083
74 HB3 ALA 9 HB3 ALA 9 -3.205 2.254 7.808
75 H ALA 10 HN ALA 10 -1.035 0.440 5.209
76 HA ALA 10 HA ALA 10 -2.528 -0.235 2.833
77 HB1 ALA 10 HB1 ALA 10 0.464 -0.511 3.147
78 HB2 ALA 10 HB2 ALA 10 -0.316 1.063 2.989
79 HB3 ALA 10 HB3 ALA 10 -0.448 -0.123 1.690
80 H ARG 11 HN ARG 11 -0.407 -2.113 4.994
81 HA ARG 11 HA ARG 11 -0.371 -4.503 3.448
82 HB2 ARG 11 HB2 ARG 11 -0.178 -4.055 6.435
83 HB3 ARG 11 HB1 ARG 11 0.042 -5.633 5.684
84 HG2 ARG 11 HG2 ARG 11 1.851 -4.665 4.263
85 HG3 ARG 11 HG1 ARG 11 1.676 -3.141 5.133
86 HD2 ARG 11 HD2 ARG 11 2.235 -5.757 6.541
87 HD3 ARG 11 HD1 ARG 11 3.520 -4.690 5.977
88 HE ARG 11 HE ARG 11 1.885 -3.024 7.468
89 HH11 ARG 11 HH21 ARG 11 3.489 -6.038 7.942
90 HH12 ARG 11 HH22 ARG 11 3.722 -5.799 9.642
91 HH21 ARG 11 HH11 ARG 11 2.178 -2.694 9.684
92 HH22 ARG 11 HH12 ARG 11 2.979 -3.906 10.629
93 H ALA 12 HN ALA 12 -2.750 -3.143 5.645
94 HA ALA 12 HA ALA 12 -4.356 -5.514 5.934
95 HB1 ALA 12 HB1 ALA 12 -5.023 -2.569 6.189
96 HB2 ALA 12 HB2 ALA 12 -4.662 -3.696 7.495
97 HB3 ALA 12 HB3 ALA 12 -6.159 -3.861 6.577
98 H ALA 13 HN ALA 13 -4.333 -2.848 3.589
99 HA ALA 13 HA ALA 13 -6.755 -3.518 2.255
100 HB1 ALA 13 HB1 ALA 13 -4.360 -2.447 0.779
101 HB2 ALA 13 HB2 ALA 13 -5.208 -1.448 1.958
102 HB3 ALA 13 HB3 ALA 13 -6.069 -2.065 0.548
103 H LEU 14 HN LEU 14 -3.500 -4.859 2.014
104 HA LEU 14 HA LEU 14 -4.040 -6.413 -0.377
105 HB2 LEU 14 HB2 LEU 14 -1.741 -5.963 0.114
106 HB3 LEU 14 HB1 LEU 14 -1.893 -6.558 1.759
107 HG LEU 14 HG LEU 14 -2.236 -8.862 0.896
108 HD11 LEU 14 HD11 LEU 14 -1.736 -9.228 -1.555
109 HD12 LEU 14 HD12 LEU 14 -1.881 -7.486 -1.780
110 HD13 LEU 14 HD13 LEU 14 -3.272 -8.424 -1.241
111 HD21 LEU 14 HD21 LEU 14 0.043 -9.226 0.137
112 HD22 LEU 14 HD22 LEU 14 0.050 -7.976 1.381
113 HD23 LEU 14 HD23 LEU 14 0.199 -7.530 -0.319
114 H HIS 15 HN HIS 15 -4.382 -6.983 3.099
115 HA HIS 15 HA HIS 15 -4.992 -9.812 2.791
116 HB2 HIS 15 HB2 HIS 15 -5.257 -7.863 5.079
117 HB3 HIS 15 HB1 HIS 15 -5.776 -9.544 5.205
118 HD1 HIS 15 HD1 HIS 15 -2.707 -7.405 4.902
119 HD2 HIS 15 HD2 HIS 15 -3.658 -11.450 5.242
120 HE1 HIS 15 HE1 HIS 15 -0.534 -8.613 5.385
121 H ASP 16 HN ASP 16 -6.903 -6.866 3.124
122 HA ASP 16 HA ASP 16 -9.373 -8.357 3.335
123 HB2 ASP 16 HB2 ASP 16 -9.617 -6.276 4.327
124 HB3 ASP 16 HB1 ASP 16 -8.593 -5.479 3.146
125 H LEU 17 HN LEU 17 -7.595 -6.931 0.621
126 HA LEU 17 HA LEU 17 -9.832 -7.309 -1.218
127 HB2 LEU 17 HB2 LEU 17 -6.914 -6.647 -1.689
128 HB3 LEU 17 HB1 LEU 17 -8.060 -6.878 -3.002
129 HG LEU 17 HG LEU 17 -8.428 -4.881 -0.755
130 HD11 LEU 17 HD11 LEU 17 -7.942 -3.240 -2.683
131 HD12 LEU 17 HD12 LEU 17 -7.258 -4.626 -3.529
132 HD13 LEU 17 HD13 LEU 17 -6.565 -4.099 -1.996
133 HD21 LEU 17 HD21 LEU 17 -10.588 -5.165 -1.580
134 HD22 LEU 17 HD22 LEU 17 -10.034 -5.672 -3.174
135 HD23 LEU 17 HD23 LEU 17 -10.009 -3.967 -2.733
136 H MET 18 HN MET 18 -7.078 -9.309 -0.253
137 HA MET 18 HA MET 18 -7.778 -11.258 -2.411
138 HB2 MET 18 HB2 MET 18 -5.435 -10.700 -2.342
139 HB3 MET 18 HB1 MET 18 -5.363 -11.019 -0.609
140 HG2 MET 18 HG2 MET 18 -5.537 -13.340 -0.894
141 HG3 MET 18 HG1 MET 18 -6.242 -13.188 -2.505
142 HE1 MET 18 HE1 MET 18 -4.857 -11.719 -4.376
143 HE2 MET 18 HE2 MET 18 -5.033 -13.462 -4.570
144 HE3 MET 18 HE3 MET 18 -3.483 -12.698 -4.908
145 H THR 19 HN THR 19 -8.608 -10.713 0.772
146 HA THR 19 HA THR 19 -8.636 -13.590 1.513
147 HB THR 19 HB THR 19 -9.474 -11.091 3.010
148 HG1 THR 19 HG1 THR 19 -7.167 -12.224 2.625
149 HG21 THR 19 HG21 THR 19 -9.617 -12.753 4.951
150 HG22 THR 19 HG22 THR 19 -9.660 -14.017 3.721
151 HG23 THR 19 HG23 THR 19 -10.934 -12.801 3.779
152 H GLY 20 HN GLY 20 -10.751 -11.137 0.223
153 HA2 GLY 20 HA2 GLY 20 -12.721 -12.782 -0.756
154 HA3 GLY 20 HA1 GLY 20 -13.208 -12.567 0.925
155 H LYS 21 HN LYS 21 -12.680 -9.953 1.454
156 HA LYS 21 HA LYS 21 -14.841 -8.548 0.375
157 HB2 LYS 21 HB2 LYS 21 -12.305 -7.081 1.078
158 HB3 LYS 21 HB1 LYS 21 -13.975 -6.610 1.380
159 HG2 LYS 21 HG2 LYS 21 -12.407 -8.796 2.777
160 HG3 LYS 21 HG1 LYS 21 -13.041 -7.315 3.488
161 HD2 LYS 21 HD2 LYS 21 -15.363 -8.173 2.749
162 HD3 LYS 21 HD1 LYS 21 -14.572 -9.735 2.544
163 HE2 LYS 21 HE2 LYS 21 -14.742 -8.104 5.090
164 HE3 LYS 21 HE1 LYS 21 -15.498 -9.667 4.776
165 HZ1 LYS 21 HZ1 LYS 21 -13.445 -10.741 4.778
166 HZ2 LYS 21 HZ2 LYS 21 -13.332 -9.654 6.078
167 HZ3 LYS 21 HZ3 LYS 21 -12.570 -9.300 4.601
168 H ARG 22 HN ARG 22 -15.207 -7.445 -1.504
169 HA ARG 22 HA ARG 22 -13.156 -7.675 -3.629
170 HB2 ARG 22 HB2 ARG 22 -15.072 -6.865 -5.084
171 HB3 ARG 22 HB1 ARG 22 -15.335 -8.412 -4.280
172 HG2 ARG 22 HG2 ARG 22 -16.729 -7.414 -2.611
173 HG3 ARG 22 HG1 ARG 22 -16.260 -5.785 -3.102
174 HD2 ARG 22 HD2 ARG 22 -17.751 -7.737 -4.877
175 HD3 ARG 22 HD1 ARG 22 -18.523 -6.455 -3.945
176 HE ARG 22 HE ARG 22 -16.592 -5.123 -5.415
177 HH11 ARG 22 HH21 ARG 22 -19.157 -7.330 -6.077
178 HH12 ARG 22 HH22 ARG 22 -19.479 -6.690 -7.655
179 HH21 ARG 22 HH11 ARG 22 -16.998 -4.274 -7.471
180 HH22 ARG 22 HH12 ARG 22 -18.257 -4.960 -8.444
181 H VAL 23 HN VAL 23 -14.277 -5.277 -1.447
182 HA VAL 23 HA VAL 23 -12.953 -3.164 -3.120
183 HB VAL 23 HB VAL 23 -15.523 -3.086 -3.126
184 HG11 VAL 23 HG11 VAL 23 -16.640 -2.200 -1.202
185 HG12 VAL 23 HG12 VAL 23 -15.117 -1.917 -0.362
186 HG13 VAL 23 HG13 VAL 23 -15.685 -3.564 -0.627
187 HG21 VAL 23 HG21 VAL 23 -15.513 -0.605 -2.850
188 HG22 VAL 23 HG22 VAL 23 -14.161 -1.188 -3.821
189 HG23 VAL 23 HG23 VAL 23 -13.904 -0.720 -2.140
190 H ALA 24 HN ALA 24 -11.892 -1.528 -1.994
191 HA ALA 24 HA ALA 24 -11.745 -1.667 0.968
192 HB1 ALA 24 HB1 ALA 24 -9.927 -3.144 0.254
193 HB2 ALA 24 HB2 ALA 24 -9.240 -1.641 0.865
194 HB3 ALA 24 HB3 ALA 24 -9.338 -1.923 -0.871
195 H THR 25 HN THR 25 -10.920 0.354 1.859
196 HA THR 25 HA THR 25 -10.552 2.584 -0.113
197 HB THR 25 HB THR 25 -12.048 3.979 1.365
198 HG1 THR 25 HG1 THR 25 -13.055 1.550 2.336
199 HG21 THR 25 HG21 THR 25 -14.065 3.236 0.337
200 HG22 THR 25 HG22 THR 25 -13.496 1.568 0.263
201 HG23 THR 25 HG23 THR 25 -12.776 2.792 -0.780
202 H VAL 26 HN VAL 26 -9.147 4.216 0.626
203 HA VAL 26 HA VAL 26 -8.264 4.185 3.456
204 HB VAL 26 HB VAL 26 -5.833 4.253 2.673
205 HG11 VAL 26 HG11 VAL 26 -7.311 1.660 2.158
206 HG12 VAL 26 HG12 VAL 26 -6.935 2.280 3.765
207 HG13 VAL 26 HG13 VAL 26 -5.631 1.840 2.663
208 HG21 VAL 26 HG21 VAL 26 -6.551 4.614 0.248
209 HG22 VAL 26 HG22 VAL 26 -6.930 2.891 0.215
210 HG23 VAL 26 HG23 VAL 26 -5.277 3.426 0.525
211 H GLN 27 HN GLN 27 -6.767 6.100 3.845
212 HA GLN 27 HA GLN 27 -7.719 8.420 2.211
213 HB2 GLN 27 HB2 GLN 27 -8.116 8.376 4.713
214 HB3 GLN 27 HB1 GLN 27 -6.366 8.448 4.926
215 HG2 GLN 27 HG2 GLN 27 -6.254 10.572 3.759
216 HG3 GLN 27 HG1 GLN 27 -7.967 10.480 3.349
217 HE21 GLN 27 HE21 GLN 27 -9.192 9.774 5.711
218 HE22 GLN 27 HE22 GLN 27 -8.873 10.919 6.923
219 H LYS 28 HN LYS 28 -6.277 9.141 0.741
220 HA LYS 28 HA LYS 28 -3.357 9.094 1.427
221 HB2 LYS 28 HB2 LYS 28 -4.331 8.607 -1.389
222 HB3 LYS 28 HB1 LYS 28 -2.762 8.231 -0.677
223 HG2 LYS 28 HG2 LYS 28 -4.034 6.613 0.865
224 HG3 LYS 28 HG1 LYS 28 -5.395 6.817 -0.238
225 HD2 LYS 28 HD2 LYS 28 -2.629 5.797 -0.947
226 HD3 LYS 28 HD1 LYS 28 -4.124 4.862 -0.930
227 HE2 LYS 28 HE2 LYS 28 -3.312 7.060 -2.832
228 HE3 LYS 28 HE1 LYS 28 -3.816 5.413 -3.211
229 HZ1 LYS 28 HZ1 LYS 28 -5.432 7.745 -2.543
230 HZ2 LYS 28 HZ2 LYS 28 -5.968 6.248 -1.946
231 HZ3 LYS 28 HZ3 LYS 28 -5.755 6.472 -3.617
232 H ASP 29 HN ASP 29 -2.582 11.125 1.352
233 HA ASP 29 HA ASP 29 -2.441 13.418 0.860
234 HB2 ASP 29 HB2 ASP 29 -3.497 12.582 -1.855
235 HB3 ASP 29 HB1 ASP 29 -2.475 13.971 -1.483
236 H GLY 30 HN GLY 30 -4.676 13.065 2.319
237 HA2 GLY 30 HA2 GLY 30 -6.862 13.830 2.717
238 HA3 GLY 30 HA1 GLY 30 -6.348 15.211 1.747
239 H ARG 31 HN ARG 31 -6.157 12.330 -0.068
240 HA ARG 31 HA ARG 31 -8.803 12.937 -1.360
241 HB2 ARG 31 HB2 ARG 31 -6.163 11.983 -2.480
242 HB3 ARG 31 HB1 ARG 31 -7.672 11.790 -3.373
243 HG2 ARG 31 HG2 ARG 31 -8.069 14.202 -3.283
244 HG3 ARG 31 HG1 ARG 31 -6.608 14.427 -2.321
245 HD2 ARG 31 HD2 ARG 31 -5.220 13.628 -4.153
246 HD3 ARG 31 HD1 ARG 31 -6.650 13.235 -5.108
247 HE ARG 31 HE ARG 31 -6.939 15.937 -4.562
248 HH11 ARG 31 HH21 ARG 31 -4.500 13.896 -5.893
249 HH12 ARG 31 HH22 ARG 31 -3.859 15.119 -6.937
250 HH21 ARG 31 HH11 ARG 31 -6.115 17.547 -5.918
251 HH22 ARG 31 HH12 ARG 31 -4.773 17.186 -6.951
252 H ARG 32 HN ARG 32 -10.266 11.340 -1.442
253 HA ARG 32 HA ARG 32 -9.568 8.708 -0.284
254 HB2 ARG 32 HB2 ARG 32 -11.695 10.175 0.228
255 HB3 ARG 32 HB1 ARG 32 -12.309 9.499 -1.274
256 HG2 ARG 32 HG2 ARG 32 -13.083 7.998 0.378
257 HG3 ARG 32 HG1 ARG 32 -11.672 7.198 -0.308
258 HD2 ARG 32 HD2 ARG 32 -10.348 7.625 1.583
259 HD3 ARG 32 HD1 ARG 32 -11.357 8.968 2.116
260 HE ARG 32 HE ARG 32 -13.039 6.768 2.260
261 HH11 ARG 32 HH21 ARG 32 -9.915 7.630 3.437
262 HH12 ARG 32 HH22 ARG 32 -10.041 6.663 4.869
263 HH21 ARG 32 HH11 ARG 32 -13.220 5.498 4.121
264 HH22 ARG 32 HH12 ARG 32 -11.912 5.455 5.255
265 H VAL 33 HN VAL 33 -9.313 6.895 -1.563
266 HA VAL 33 HA VAL 33 -10.369 6.942 -4.362
267 HB VAL 33 HB VAL 33 -7.536 6.146 -3.617
268 HG11 VAL 33 HG11 VAL 33 -7.311 5.973 -6.118
269 HG12 VAL 33 HG12 VAL 33 -9.054 6.207 -6.244
270 HG13 VAL 33 HG13 VAL 33 -8.413 4.782 -5.429
271 HG21 VAL 33 HG21 VAL 33 -7.571 8.526 -3.624
272 HG22 VAL 33 HG22 VAL 33 -8.715 8.588 -4.964
273 HG23 VAL 33 HG23 VAL 33 -7.046 8.100 -5.251
274 H GLU 34 HN GLU 34 -10.786 4.906 -5.209
275 HA GLU 34 HA GLU 34 -10.999 2.727 -3.156
276 HB2 GLU 34 HB2 GLU 34 -12.454 2.812 -5.809
277 HB3 GLU 34 HB1 GLU 34 -12.876 1.911 -4.353
278 HG2 GLU 34 HG2 GLU 34 -13.075 4.284 -3.248
279 HG3 GLU 34 HG1 GLU 34 -13.190 4.857 -4.911
280 H PHE 35 HN PHE 35 -10.538 0.537 -3.861
281 HA PHE 35 HA PHE 35 -8.864 0.243 -6.329
282 HB2 PHE 35 HB2 PHE 35 -8.103 -0.343 -3.467
283 HB3 PHE 35 HB1 PHE 35 -7.394 -1.275 -4.786
284 HD1 PHE 35 HD1 PHE 35 -6.565 0.221 -6.834
285 HD2 PHE 35 HD2 PHE 35 -6.969 1.604 -2.792
286 HE1 PHE 35 HE1 PHE 35 -4.941 2.034 -7.301
287 HE2 PHE 35 HE2 PHE 35 -5.338 3.420 -3.256
288 HZ PHE 35 HZ PHE 35 -4.331 3.637 -5.510
289 H THR 36 HN THR 36 -9.296 -1.650 -7.372
290 HA THR 36 HA THR 36 -11.031 -3.669 -5.973
291 HB THR 36 HB THR 36 -11.778 -4.201 -8.377
292 HG1 THR 36 HG1 THR 36 -11.176 -1.591 -9.035
293 HG21 THR 36 HG21 THR 36 -13.157 -2.990 -6.698
294 HG22 THR 36 HG22 THR 36 -13.455 -2.431 -8.344
295 HG23 THR 36 HG23 THR 36 -12.454 -1.470 -7.254
296 H ALA 37 HN ALA 37 -10.611 -5.884 -6.489
297 HA ALA 37 HA ALA 37 -7.973 -6.717 -6.532
298 HB1 ALA 37 HB1 ALA 37 -8.750 -8.896 -7.092
299 HB2 ALA 37 HB2 ALA 37 -10.130 -8.253 -7.982
300 HB3 ALA 37 HB3 ALA 37 -10.082 -8.132 -6.224
301 H THR 38 HN THR 38 -9.700 -5.383 -9.232
302 HA THR 38 HA THR 38 -8.184 -6.645 -11.320
303 HB THR 38 HB THR 38 -9.433 -3.900 -11.489
304 HG1 THR 38 HG1 THR 38 -10.583 -6.423 -11.204
305 HG21 THR 38 HG21 THR 38 -8.169 -4.635 -13.443
306 HG22 THR 38 HG22 THR 38 -9.894 -4.673 -13.812
307 HG23 THR 38 HG23 THR 38 -9.036 -6.171 -13.456
308 H SER 39 HN SER 39 -7.484 -3.965 -9.160
309 HA SER 39 HA SER 39 -5.039 -3.326 -10.804
310 HB2 SER 39 HB2 SER 39 -5.048 -1.147 -9.725
311 HB3 SER 39 HB1 SER 39 -6.618 -1.437 -10.467
312 HG SER 39 HG SER 39 -7.279 -2.206 -8.343
313 H VAL 40 HN VAL 40 -5.659 -5.386 -8.519
314 HA VAL 40 HA VAL 40 -4.251 -4.752 -6.185
315 HB VAL 40 HB VAL 40 -5.500 -6.881 -6.603
316 HG11 VAL 40 HG11 VAL 40 -4.397 -8.718 -7.780
317 HG12 VAL 40 HG12 VAL 40 -3.019 -7.685 -8.148
318 HG13 VAL 40 HG13 VAL 40 -4.597 -7.341 -8.862
319 HG21 VAL 40 HG21 VAL 40 -2.637 -7.413 -5.770
320 HG22 VAL 40 HG22 VAL 40 -4.071 -8.315 -5.281
321 HG23 VAL 40 HG23 VAL 40 -3.838 -6.660 -4.723
322 H SER 41 HN SER 41 -3.013 -4.821 -9.353
323 HA SER 41 HA SER 41 -0.263 -5.518 -8.579
324 HB2 SER 41 HB2 SER 41 -1.362 -4.403 -11.174
325 HB3 SER 41 HB1 SER 41 0.269 -5.024 -10.932
326 HG SER 41 HG SER 41 -1.686 -6.734 -10.078
327 H ASP 42 HN ASP 42 -1.871 -2.542 -9.832
328 HA ASP 42 HA ASP 42 0.427 -0.898 -9.521
329 HB2 ASP 42 HB2 ASP 42 -1.041 1.001 -9.711
330 HB3 ASP 42 HB1 ASP 42 -1.651 -0.256 -10.784
331 H LEU 43 HN LEU 43 -1.834 -2.122 -7.150
332 HA LEU 43 HA LEU 43 -1.120 -0.161 -5.119
333 HB2 LEU 43 HB2 LEU 43 -3.250 -1.489 -5.057
334 HB3 LEU 43 HB1 LEU 43 -2.285 -2.931 -4.762
335 HG LEU 43 HG LEU 43 -1.286 -1.468 -2.760
336 HD11 LEU 43 HD11 LEU 43 -4.088 -0.376 -2.801
337 HD12 LEU 43 HD12 LEU 43 -2.791 0.489 -3.617
338 HD13 LEU 43 HD13 LEU 43 -2.692 0.182 -1.883
339 HD21 LEU 43 HD21 LEU 43 -2.534 -3.605 -2.537
340 HD22 LEU 43 HD22 LEU 43 -4.049 -2.712 -2.622
341 HD23 LEU 43 HD23 LEU 43 -2.951 -2.459 -1.267
342 H LYS 44 HN LYS 44 -0.061 -3.460 -5.983
343 HA LYS 44 HA LYS 44 1.685 -3.953 -3.828
344 HB2 LYS 44 HB2 LYS 44 1.587 -4.781 -6.701
345 HB3 LYS 44 HB1 LYS 44 3.128 -5.024 -5.881
346 HG2 LYS 44 HG2 LYS 44 2.005 -6.315 -4.117
347 HG3 LYS 44 HG1 LYS 44 0.448 -6.052 -4.901
348 HD2 LYS 44 HD2 LYS 44 1.291 -7.211 -6.929
349 HD3 LYS 44 HD1 LYS 44 2.820 -7.512 -6.103
350 HE2 LYS 44 HE2 LYS 44 0.093 -8.634 -5.459
351 HE3 LYS 44 HE1 LYS 44 1.585 -9.511 -5.796
352 HZ1 LYS 44 HZ1 LYS 44 1.087 -7.802 -3.418
353 HZ2 LYS 44 HZ2 LYS 44 2.518 -8.658 -3.744
354 HZ3 LYS 44 HZ3 LYS 44 1.075 -9.498 -3.434
355 H LYS 45 HN LYS 45 2.140 -1.877 -6.661
356 HA LYS 45 HA LYS 45 4.932 -1.326 -6.163
357 HB2 LYS 45 HB2 LYS 45 2.815 0.235 -7.672
358 HB3 LYS 45 HB1 LYS 45 4.529 0.646 -7.668
359 HG2 LYS 45 HG2 LYS 45 5.017 -1.674 -8.510
360 HG3 LYS 45 HG1 LYS 45 3.279 -1.923 -8.677
361 HD2 LYS 45 HD2 LYS 45 3.134 -0.026 -10.227
362 HD3 LYS 45 HD1 LYS 45 4.860 0.280 -10.035
363 HE2 LYS 45 HE2 LYS 45 5.370 -1.943 -10.960
364 HE3 LYS 45 HE1 LYS 45 3.647 -2.274 -11.133
365 HZ1 LYS 45 HZ1 LYS 45 5.021 -1.338 -13.120
366 HZ2 LYS 45 HZ2 LYS 45 4.756 0.155 -12.350
367 HZ3 LYS 45 HZ3 LYS 45 3.436 -0.795 -12.844
368 H TYR 46 HN TYR 46 1.920 0.339 -5.262
369 HA TYR 46 HA TYR 46 3.062 2.620 -4.027
370 HB2 TYR 46 HB2 TYR 46 0.686 2.494 -4.438
371 HB3 TYR 46 HB1 TYR 46 0.541 1.067 -3.421
372 HD1 TYR 46 HD1 TYR 46 2.053 4.496 -3.071
373 HD2 TYR 46 HD2 TYR 46 -0.490 1.480 -1.365
374 HE1 TYR 46 HE1 TYR 46 1.633 5.956 -1.113
375 HE2 TYR 46 HE2 TYR 46 -0.915 2.945 0.592
376 HH TYR 46 HH TYR 46 0.795 6.020 0.985
377 H ILE 47 HN ILE 47 2.755 -0.692 -2.896
378 HA ILE 47 HA ILE 47 3.443 -0.030 -0.131
379 HB ILE 47 HB ILE 47 3.266 -2.661 -1.621
380 HG12 ILE 47 HG12 ILE 47 1.551 -1.519 0.605
381 HG13 ILE 47 HG11 ILE 47 1.152 -1.355 -1.104
382 HG21 ILE 47 HG21 ILE 47 3.357 -3.621 0.751
383 HG22 ILE 47 HG22 ILE 47 3.963 -2.047 1.261
384 HG23 ILE 47 HG23 ILE 47 4.884 -3.016 0.111
385 HD11 ILE 47 HD11 ILE 47 0.025 -3.304 0.020
386 HD12 ILE 47 HD12 ILE 47 1.619 -4.015 0.271
387 HD13 ILE 47 HD13 ILE 47 1.015 -3.758 -1.367
388 H ALA 48 HN ALA 48 5.138 -1.097 -3.029
389 HA ALA 48 HA ALA 48 7.642 -1.638 -1.669
390 HB1 ALA 48 HB1 ALA 48 8.590 -1.713 -3.947
391 HB2 ALA 48 HB2 ALA 48 7.086 -1.055 -4.592
392 HB3 ALA 48 HB3 ALA 48 7.102 -2.655 -3.850
393 H GLU 49 HN GLU 49 6.289 1.154 -3.399
394 HA GLU 49 HA GLU 49 8.693 2.717 -3.351
395 HB2 GLU 49 HB2 GLU 49 6.796 3.219 -4.850
396 HB3 GLU 49 HB1 GLU 49 5.815 3.661 -3.454
397 HG2 GLU 49 HG2 GLU 49 7.324 5.484 -2.902
398 HG3 GLU 49 HG1 GLU 49 8.439 4.992 -4.178
399 H LEU 50 HN LEU 50 6.058 2.337 -0.990
400 HA LEU 50 HA LEU 50 7.005 4.554 0.644
401 HB2 LEU 50 HB2 LEU 50 5.126 2.258 1.297
402 HB3 LEU 50 HB1 LEU 50 5.601 3.465 2.483
403 HG LEU 50 HG LEU 50 4.257 4.090 -0.166
404 HD11 LEU 50 HD11 LEU 50 2.562 3.083 1.118
405 HD12 LEU 50 HD12 LEU 50 2.377 4.784 1.524
406 HD13 LEU 50 HD13 LEU 50 3.206 3.697 2.641
407 HD21 LEU 50 HD21 LEU 50 3.879 6.309 1.318
408 HD22 LEU 50 HD22 LEU 50 5.320 6.097 0.334
409 HD23 LEU 50 HD23 LEU 50 5.382 5.763 2.064
410 H GLU 51 HN GLU 51 7.749 1.107 0.498
411 HA GLU 51 HA GLU 51 9.149 1.024 3.007
412 HB2 GLU 51 HB2 GLU 51 9.289 -0.679 0.514
413 HB3 GLU 51 HB1 GLU 51 10.381 -0.954 1.868
414 HG2 GLU 51 HG2 GLU 51 7.374 -0.836 2.168
415 HG3 GLU 51 HG1 GLU 51 8.261 -2.338 1.910
416 H VAL 52 HN VAL 52 10.038 2.148 -0.207
417 HA VAL 52 HA VAL 52 12.889 2.323 0.468
418 HB VAL 52 HB VAL 52 11.282 3.387 -1.876
419 HG11 VAL 52 HG11 VAL 52 14.240 3.490 -1.249
420 HG12 VAL 52 HG12 VAL 52 13.172 4.832 -1.662
421 HG13 VAL 52 HG13 VAL 52 13.615 3.648 -2.891
422 HG21 VAL 52 HG21 VAL 52 11.405 1.005 -1.990
423 HG22 VAL 52 HG22 VAL 52 13.083 0.993 -1.447
424 HG23 VAL 52 HG23 VAL 52 12.682 1.591 -3.056
425 H GLN 53 HN GLN 53 10.075 4.324 0.821
426 HA GLN 53 HA GLN 53 11.695 6.787 1.156
427 HB2 GLN 53 HB2 GLN 53 8.708 6.254 1.300
428 HB3 GLN 53 HB1 GLN 53 9.436 7.829 1.619
429 HG2 GLN 53 HG2 GLN 53 10.472 7.773 -0.645
430 HG3 GLN 53 HG1 GLN 53 9.640 6.250 -0.961
431 HE21 GLN 53 HE21 GLN 53 8.560 9.345 0.565
432 HE22 GLN 53 HE22 GLN 53 7.205 9.533 -0.439
433 H THR 54 HN THR 54 10.721 4.150 2.985
434 HA THR 54 HA THR 54 11.045 5.678 5.546
435 HB THR 54 HB THR 54 8.916 3.905 4.617
436 HG1 THR 54 HG1 THR 54 9.270 5.427 6.978
437 HG21 THR 54 HG21 THR 54 8.635 2.698 6.796
438 HG22 THR 54 HG22 THR 54 10.261 3.211 7.247
439 HG23 THR 54 HG23 THR 54 10.026 2.140 5.865
440 H GLY 55 HN GLY 55 11.967 2.991 3.553
441 HA2 GLY 55 HA2 GLY 55 13.182 1.276 5.439
442 HA3 GLY 55 HA1 GLY 55 13.734 1.469 3.772
443 H MET 56 HN MET 56 15.928 1.156 4.973
444 HA MET 56 HA MET 56 17.123 3.800 5.306
445 HB2 MET 56 HB2 MET 56 18.043 3.291 7.583
446 HB3 MET 56 HB1 MET 56 16.294 3.511 7.570
447 HG2 MET 56 HG2 MET 56 17.584 0.780 7.361
448 HG3 MET 56 HG1 MET 56 17.157 1.512 8.904
449 HE1 MET 56 HE1 MET 56 16.132 -1.262 7.411
450 HE2 MET 56 HE2 MET 56 14.507 -1.308 8.090
451 HE3 MET 56 HE3 MET 56 15.866 -0.834 9.106
452 H THR 57 HN THR 57 17.613 1.864 3.395
453 HA THR 57 HA THR 57 19.991 0.315 4.227
454 HB THR 57 HB THR 57 18.281 -0.595 2.596
455 HG1 THR 57 HG1 THR 57 20.060 -1.093 0.996
456 HG21 THR 57 HG21 THR 57 18.020 1.652 1.419
457 HG22 THR 57 HG22 THR 57 18.191 0.255 0.357
458 HG23 THR 57 HG23 THR 57 19.568 1.326 0.634
459 H GLN 58 HN GLN 58 21.466 0.547 1.813
460 HA GLN 58 HA GLN 58 21.983 3.268 1.109
461 HB2 GLN 58 HB2 GLN 58 22.875 3.048 3.557
462 HB3 GLN 58 HB1 GLN 58 24.187 2.121 2.834
463 HG2 GLN 58 HG2 GLN 58 24.551 4.068 1.246
464 HG3 GLN 58 HG1 GLN 58 23.411 4.987 2.230
465 HE21 GLN 58 HE21 GLN 58 25.839 2.623 3.405
466 HE22 GLN 58 HE22 GLN 58 26.712 3.746 4.330
467 H ARG 59 HN ARG 59 25.018 2.307 1.193
468 HA ARG 59 HA ARG 59 25.118 0.080 -0.635
469 HB2 ARG 59 HB2 ARG 59 24.147 1.878 -2.114
470 HB3 ARG 59 HB1 ARG 59 25.629 2.801 -1.868
471 HG2 ARG 59 HG2 ARG 59 26.959 0.991 -2.828
472 HG3 ARG 59 HG1 ARG 59 25.516 -0.009 -2.999
473 HD2 ARG 59 HD2 ARG 59 24.540 1.707 -4.513
474 HD3 ARG 59 HD1 ARG 59 26.035 2.633 -4.392
475 HE ARG 59 HE ARG 59 26.880 0.128 -5.216
476 HH11 ARG 59 HH21 ARG 59 24.553 2.450 -6.257
477 HH12 ARG 59 HH22 ARG 59 24.681 2.025 -7.931
478 HH21 ARG 59 HH11 ARG 59 27.060 -0.439 -7.396
479 HH22 ARG 59 HH12 ARG 59 26.101 0.389 -8.575
480 H ARG 60 HN ARG 60 27.272 -0.596 -0.919
481 HA ARG 60 HA ARG 60 29.517 1.161 -0.388
482 HB2 ARG 60 HB2 ARG 60 28.479 0.581 1.922
483 HB3 ARG 60 HB1 ARG 60 29.137 -1.032 1.657
484 HG2 ARG 60 HG2 ARG 60 31.391 -0.064 1.363
485 HG3 ARG 60 HG1 ARG 60 30.732 1.551 1.625
486 HD2 ARG 60 HD2 ARG 60 31.648 0.821 3.726
487 HD3 ARG 60 HD1 ARG 60 29.892 0.734 3.872
488 HE ARG 60 HE ARG 60 30.617 -1.802 3.013
489 HH11 ARG 60 HH21 ARG 60 31.519 0.336 5.563
490 HH12 ARG 60 HH22 ARG 60 31.904 -0.937 6.672
491 HH21 ARG 60 HH11 ARG 60 31.114 -3.476 4.447
492 HH22 ARG 60 HH12 ARG 60 31.675 -3.095 6.041
493 H ARG 61 HN ARG 61 30.629 -1.619 0.822
494 HA ARG 61 HA ARG 61 30.615 -3.366 -1.486
495 HB2 ARG 61 HB2 ARG 61 33.090 -3.074 -1.967
496 HB3 ARG 61 HB1 ARG 61 32.071 -1.730 -2.484
497 HG2 ARG 61 HG2 ARG 61 32.683 -0.421 -0.560
498 HG3 ARG 61 HG1 ARG 61 33.499 -1.796 0.185
499 HD2 ARG 61 HD2 ARG 61 34.327 -0.398 -2.376
500 HD3 ARG 61 HD1 ARG 61 35.156 -0.302 -0.821
501 HE ARG 61 HE ARG 61 35.096 -3.016 -1.368
502 HH11 ARG 61 HH21 ARG 61 36.093 -0.156 -3.013
503 HH12 ARG 61 HH22 ARG 61 37.355 -0.944 -3.897
504 HH21 ARG 61 HH11 ARG 61 36.740 -4.063 -2.513
505 HH22 ARG 61 HH12 ARG 61 37.722 -3.157 -3.614
506 H GLY 62 HN GLY 62 30.202 -3.605 1.355
507 HA2 GLY 62 HA2 GLY 62 32.573 -4.764 2.574
508 HA3 GLY 62 HA1 GLY 62 30.932 -4.854 3.217
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 6.790 11.174 8.265
2 H2 MET 1 HT2 MET 1 7.388 12.661 7.702
3 H3 MET 1 HT3 MET 1 8.232 11.802 8.900
4 HA MET 1 HA MET 1 8.059 11.295 6.014
5 HB2 MET 1 HB2 MET 1 10.254 11.147 8.104
6 HB3 MET 1 HB1 MET 1 10.478 10.807 6.387
7 HG2 MET 1 HG2 MET 1 9.702 13.100 5.846
8 HG3 MET 1 HG1 MET 1 9.542 13.437 7.570
9 HE1 MET 1 HE1 MET 1 10.910 15.477 6.595
10 HE2 MET 1 HE2 MET 1 11.517 14.808 5.082
11 HE3 MET 1 HE3 MET 1 12.648 15.455 6.268
12 H VAL 2 HN VAL 2 8.240 9.651 9.143
13 HA VAL 2 HA VAL 2 8.604 7.021 7.890
14 HB VAL 2 HB VAL 2 8.398 6.173 10.219
15 HG11 VAL 2 HG11 VAL 2 10.606 6.777 9.588
16 HG12 VAL 2 HG12 VAL 2 10.358 7.565 11.146
17 HG13 VAL 2 HG13 VAL 2 10.242 8.502 9.657
18 HG21 VAL 2 HG21 VAL 2 8.416 8.174 11.975
19 HG22 VAL 2 HG22 VAL 2 6.889 7.535 11.383
20 HG23 VAL 2 HG23 VAL 2 7.542 9.025 10.701
21 H ARG 3 HN ARG 3 6.817 6.302 6.729
22 HA ARG 3 HA ARG 3 4.110 6.941 7.678
23 HB2 ARG 3 HB2 ARG 3 5.321 5.669 5.254
24 HB3 ARG 3 HB1 ARG 3 3.678 5.174 5.650
25 HG2 ARG 3 HG2 ARG 3 3.582 7.072 4.134
26 HG3 ARG 3 HG1 ARG 3 3.014 7.586 5.722
27 HD2 ARG 3 HD2 ARG 3 4.530 9.276 4.868
28 HD3 ARG 3 HD1 ARG 3 5.329 8.441 6.201
29 HE ARG 3 HE ARG 3 6.153 7.030 3.970
30 HH11 ARG 3 HH21 ARG 3 6.080 10.338 4.936
31 HH12 ARG 3 HH22 ARG 3 7.501 10.768 4.043
32 HH21 ARG 3 HH11 ARG 3 8.009 7.573 2.796
33 HH22 ARG 3 HH12 ARG 3 8.591 9.204 2.831
34 H GLN 4 HN GLN 4 5.898 5.297 9.358
35 HA GLN 4 HA GLN 4 5.457 2.562 9.390
36 HB2 GLN 4 HB2 GLN 4 5.509 4.548 11.664
37 HB3 GLN 4 HB1 GLN 4 5.376 2.813 11.952
38 HG2 GLN 4 HG2 GLN 4 7.555 3.991 10.219
39 HG3 GLN 4 HG1 GLN 4 7.750 3.779 11.959
40 HE21 GLN 4 HE21 GLN 4 7.928 1.593 12.786
41 HE22 GLN 4 HE22 GLN 4 8.130 0.258 11.759
42 H GLU 5 HN GLU 5 3.166 5.065 10.494
43 HA GLU 5 HA GLU 5 1.157 3.132 11.373
44 HB2 GLU 5 HB2 GLU 5 1.288 6.108 10.973
45 HB3 GLU 5 HB1 GLU 5 -0.312 5.372 11.039
46 HG2 GLU 5 HG2 GLU 5 0.167 4.403 13.221
47 HG3 GLU 5 HG1 GLU 5 1.833 4.976 13.154
48 H GLU 6 HN GLU 6 1.121 5.382 8.563
49 HA GLU 6 HA GLU 6 -1.150 4.244 7.314
50 HB2 GLU 6 HB2 GLU 6 1.253 5.557 6.007
51 HB3 GLU 6 HB1 GLU 6 -0.256 5.190 5.182
52 HG2 GLU 6 HG2 GLU 6 -1.267 6.588 7.269
53 HG3 GLU 6 HG1 GLU 6 0.336 7.325 7.204
54 H LEU 7 HN LEU 7 2.264 3.347 7.095
55 HA LEU 7 HA LEU 7 2.198 1.496 4.996
56 HB2 LEU 7 HB2 LEU 7 4.298 2.002 6.034
57 HB3 LEU 7 HB1 LEU 7 3.714 1.501 7.616
58 HG LEU 7 HG LEU 7 3.665 -0.827 6.935
59 HD11 LEU 7 HD11 LEU 7 2.930 -0.699 4.664
60 HD12 LEU 7 HD12 LEU 7 4.551 -1.383 4.603
61 HD13 LEU 7 HD13 LEU 7 4.296 0.314 4.208
62 HD21 LEU 7 HD21 LEU 7 5.829 -0.052 7.688
63 HD22 LEU 7 HD22 LEU 7 6.197 0.610 6.096
64 HD23 LEU 7 HD23 LEU 7 6.086 -1.135 6.321
65 H ALA 8 HN ALA 8 1.637 0.802 8.470
66 HA ALA 8 HA ALA 8 0.918 -1.907 8.212
67 HB1 ALA 8 HB1 ALA 8 0.006 0.217 10.161
68 HB2 ALA 8 HB2 ALA 8 1.234 -1.023 10.408
69 HB3 ALA 8 HB3 ALA 8 -0.468 -1.475 10.313
70 H ALA 9 HN ALA 9 -1.005 0.987 7.607
71 HA ALA 9 HA ALA 9 -3.540 -0.390 7.444
72 HB1 ALA 9 HB1 ALA 9 -3.233 2.095 7.788
73 HB2 ALA 9 HB2 ALA 9 -4.397 1.669 6.533
74 HB3 ALA 9 HB3 ALA 9 -2.778 2.208 6.088
75 H ALA 10 HN ALA 10 -1.038 0.444 5.069
76 HA ALA 10 HA ALA 10 -2.549 -0.295 2.745
77 HB1 ALA 10 HB1 ALA 10 -0.423 1.024 2.698
78 HB2 ALA 10 HB2 ALA 10 -0.401 -0.352 1.594
79 HB3 ALA 10 HB3 ALA 10 0.456 -0.442 3.134
80 H ARG 11 HN ARG 11 -0.358 -2.148 4.857
81 HA ARG 11 HA ARG 11 -0.335 -4.559 3.359
82 HB2 ARG 11 HB2 ARG 11 -0.128 -4.034 6.334
83 HB3 ARG 11 HB1 ARG 11 0.050 -5.645 5.641
84 HG2 ARG 11 HG2 ARG 11 1.867 -4.766 4.170
85 HG3 ARG 11 HG1 ARG 11 1.737 -3.213 4.994
86 HD2 ARG 11 HD2 ARG 11 3.537 -4.458 6.030
87 HD3 ARG 11 HD1 ARG 11 2.187 -4.403 7.164
88 HE ARG 11 HE ARG 11 1.778 -6.761 5.771
89 HH11 ARG 11 HH21 ARG 11 4.374 -5.301 7.506
90 HH12 ARG 11 HH22 ARG 11 5.049 -6.808 8.028
91 HH21 ARG 11 HH11 ARG 11 2.643 -8.738 6.443
92 HH22 ARG 11 HH12 ARG 11 4.068 -8.754 7.426
93 H ALA 12 HN ALA 12 -2.635 -3.317 5.756
94 HA ALA 12 HA ALA 12 -4.247 -5.646 6.002
95 HB1 ALA 12 HB1 ALA 12 -4.948 -2.706 6.222
96 HB2 ALA 12 HB2 ALA 12 -4.558 -3.812 7.540
97 HB3 ALA 12 HB3 ALA 12 -6.063 -4.007 6.641
98 H ALA 13 HN ALA 13 -4.413 -2.938 3.685
99 HA ALA 13 HA ALA 13 -6.800 -3.679 2.380
100 HB1 ALA 13 HB1 ALA 13 -4.463 -2.651 0.784
101 HB2 ALA 13 HB2 ALA 13 -5.201 -1.624 2.013
102 HB3 ALA 13 HB3 ALA 13 -6.172 -2.219 0.666
103 H LEU 14 HN LEU 14 -3.500 -4.926 1.956
104 HA LEU 14 HA LEU 14 -4.084 -6.563 -0.332
105 HB2 LEU 14 HB2 LEU 14 -1.777 -6.150 0.173
106 HB3 LEU 14 HB1 LEU 14 -1.956 -6.725 1.824
107 HG LEU 14 HG LEU 14 -2.340 -9.028 0.983
108 HD11 LEU 14 HD11 LEU 14 -3.373 -8.613 -1.153
109 HD12 LEU 14 HD12 LEU 14 -1.841 -9.423 -1.473
110 HD13 LEU 14 HD13 LEU 14 -1.984 -7.683 -1.707
111 HD21 LEU 14 HD21 LEU 14 -0.075 -9.460 0.266
112 HD22 LEU 14 HD22 LEU 14 -0.028 -8.143 1.438
113 HD23 LEU 14 HD23 LEU 14 0.119 -7.796 -0.285
114 H HIS 15 HN HIS 15 -4.471 -7.034 3.140
115 HA HIS 15 HA HIS 15 -5.112 -9.858 2.932
116 HB2 HIS 15 HB2 HIS 15 -4.202 -8.817 5.003
117 HB3 HIS 15 HB1 HIS 15 -5.712 -7.921 5.175
118 HD1 HIS 15 HD1 HIS 15 -7.080 -9.036 6.930
119 HD2 HIS 15 HD2 HIS 15 -5.150 -11.820 4.500
120 HE1 HIS 15 HE1 HIS 15 -7.848 -11.321 7.708
121 H ASP 16 HN ASP 16 -7.044 -6.890 3.209
122 HA ASP 16 HA ASP 16 -9.500 -8.409 3.332
123 HB2 ASP 16 HB2 ASP 16 -9.287 -6.141 4.307
124 HB3 ASP 16 HB1 ASP 16 -9.106 -5.478 2.683
125 H LEU 17 HN LEU 17 -7.745 -6.794 0.692
126 HA LEU 17 HA LEU 17 -9.910 -7.133 -1.194
127 HB2 LEU 17 HB2 LEU 17 -6.959 -6.599 -1.607
128 HB3 LEU 17 HB1 LEU 17 -8.088 -6.769 -2.944
129 HG LEU 17 HG LEU 17 -8.375 -4.751 -0.698
130 HD11 LEU 17 HD11 LEU 17 -7.577 -3.106 -2.260
131 HD12 LEU 17 HD12 LEU 17 -7.576 -4.273 -3.580
132 HD13 LEU 17 HD13 LEU 17 -6.408 -4.423 -2.269
133 HD21 LEU 17 HD21 LEU 17 -9.932 -3.779 -2.659
134 HD22 LEU 17 HD22 LEU 17 -10.553 -4.954 -1.509
135 HD23 LEU 17 HD23 LEU 17 -10.027 -5.481 -3.106
136 H MET 18 HN MET 18 -7.282 -9.251 -0.174
137 HA MET 18 HA MET 18 -8.011 -11.168 -2.351
138 HB2 MET 18 HB2 MET 18 -5.647 -10.756 -2.209
139 HB3 MET 18 HB1 MET 18 -5.651 -11.027 -0.466
140 HG2 MET 18 HG2 MET 18 -5.912 -13.342 -0.692
141 HG3 MET 18 HG1 MET 18 -6.590 -13.209 -2.315
142 HE1 MET 18 HE1 MET 18 -5.175 -11.900 -4.203
143 HE2 MET 18 HE2 MET 18 -5.324 -13.647 -4.370
144 HE3 MET 18 HE3 MET 18 -3.777 -12.867 -4.692
145 H THR 19 HN THR 19 -8.999 -10.526 0.730
146 HA THR 19 HA THR 19 -9.246 -13.394 1.517
147 HB THR 19 HB THR 19 -9.765 -10.800 2.993
148 HG1 THR 19 HG1 THR 19 -7.925 -12.936 3.184
149 HG21 THR 19 HG21 THR 19 -10.424 -13.653 3.724
150 HG22 THR 19 HG22 THR 19 -11.484 -12.244 3.766
151 HG23 THR 19 HG23 THR 19 -10.185 -12.407 4.949
152 H GLY 20 HN GLY 20 -11.122 -10.737 0.229
153 HA2 GLY 20 HA2 GLY 20 -13.262 -12.289 -0.656
154 HA3 GLY 20 HA1 GLY 20 -13.708 -11.813 0.982
155 H LYS 21 HN LYS 21 -13.510 -9.376 1.416
156 HA LYS 21 HA LYS 21 -15.218 -7.886 -0.177
157 HB2 LYS 21 HB2 LYS 21 -12.820 -6.687 1.231
158 HB3 LYS 21 HB1 LYS 21 -14.361 -5.901 0.889
159 HG2 LYS 21 HG2 LYS 21 -15.422 -7.797 2.296
160 HG3 LYS 21 HG1 LYS 21 -13.783 -8.109 2.867
161 HD2 LYS 21 HD2 LYS 21 -13.599 -5.779 3.644
162 HD3 LYS 21 HD1 LYS 21 -15.230 -5.450 3.058
163 HE2 LYS 21 HE2 LYS 21 -16.117 -7.184 4.590
164 HE3 LYS 21 HE1 LYS 21 -14.486 -7.464 5.200
165 HZ1 LYS 21 HZ1 LYS 21 -16.309 -5.547 6.044
166 HZ2 LYS 21 HZ2 LYS 21 -15.054 -4.708 5.264
167 HZ3 LYS 21 HZ3 LYS 21 -14.706 -5.751 6.560
168 H ARG 22 HN ARG 22 -15.090 -6.908 -2.144
169 HA ARG 22 HA ARG 22 -12.548 -7.141 -3.651
170 HB2 ARG 22 HB2 ARG 22 -14.143 -6.260 -5.534
171 HB3 ARG 22 HB1 ARG 22 -14.341 -7.913 -4.951
172 HG2 ARG 22 HG2 ARG 22 -16.211 -7.327 -3.602
173 HG3 ARG 22 HG1 ARG 22 -15.876 -5.602 -3.755
174 HD2 ARG 22 HD2 ARG 22 -16.723 -7.443 -6.013
175 HD3 ARG 22 HD1 ARG 22 -17.753 -6.255 -5.213
176 HE ARG 22 HE ARG 22 -15.603 -4.758 -6.100
177 HH11 ARG 22 HH21 ARG 22 -17.814 -7.009 -7.489
178 HH12 ARG 22 HH22 ARG 22 -17.788 -6.272 -9.056
179 HH21 ARG 22 HH11 ARG 22 -15.555 -3.782 -8.139
180 HH22 ARG 22 HH12 ARG 22 -16.509 -4.446 -9.424
181 H VAL 23 HN VAL 23 -14.330 -4.759 -1.940
182 HA VAL 23 HA VAL 23 -12.857 -2.557 -3.358
183 HB VAL 23 HB VAL 23 -15.469 -2.674 -3.308
184 HG11 VAL 23 HG11 VAL 23 -16.559 -1.777 -1.386
185 HG12 VAL 23 HG12 VAL 23 -15.028 -1.348 -0.627
186 HG13 VAL 23 HG13 VAL 23 -15.490 -3.041 -0.779
187 HG21 VAL 23 HG21 VAL 23 -13.962 -0.177 -2.483
188 HG22 VAL 23 HG22 VAL 23 -15.579 -0.201 -3.184
189 HG23 VAL 23 HG23 VAL 23 -14.199 -0.753 -4.133
190 H ALA 24 HN ALA 24 -11.748 -1.030 -2.148
191 HA ALA 24 HA ALA 24 -11.762 -1.165 0.800
192 HB1 ALA 24 HB1 ALA 24 -9.310 -1.474 0.936
193 HB2 ALA 24 HB2 ALA 24 -9.238 -1.668 -0.814
194 HB3 ALA 24 HB3 ALA 24 -10.076 -2.865 0.172
195 H THR 25 HN THR 25 -11.367 0.867 1.632
196 HA THR 25 HA THR 25 -10.572 3.014 -0.313
197 HB THR 25 HB THR 25 -11.668 4.511 1.462
198 HG1 THR 25 HG1 THR 25 -12.574 1.954 2.285
199 HG21 THR 25 HG21 THR 25 -13.170 2.479 -0.187
200 HG22 THR 25 HG22 THR 25 -12.879 4.183 -0.538
201 HG23 THR 25 HG23 THR 25 -14.013 3.726 0.731
202 H VAL 26 HN VAL 26 -9.104 4.673 0.468
203 HA VAL 26 HA VAL 26 -7.685 4.122 3.026
204 HB VAL 26 HB VAL 26 -6.062 4.734 0.544
205 HG11 VAL 26 HG11 VAL 26 -5.467 3.397 3.202
206 HG12 VAL 26 HG12 VAL 26 -4.982 5.022 2.718
207 HG13 VAL 26 HG13 VAL 26 -4.299 3.617 1.900
208 HG21 VAL 26 HG21 VAL 26 -5.595 2.195 0.573
209 HG22 VAL 26 HG22 VAL 26 -7.115 2.731 -0.139
210 HG23 VAL 26 HG23 VAL 26 -7.093 2.057 1.493
211 H GLN 27 HN GLN 27 -7.191 6.009 4.077
212 HA GLN 27 HA GLN 27 -8.033 8.531 2.803
213 HB2 GLN 27 HB2 GLN 27 -8.528 7.830 5.237
214 HB3 GLN 27 HB1 GLN 27 -6.840 8.215 5.567
215 HG2 GLN 27 HG2 GLN 27 -8.785 10.158 4.287
216 HG3 GLN 27 HG1 GLN 27 -8.435 10.117 6.014
217 HE21 GLN 27 HE21 GLN 27 -6.178 10.625 6.685
218 HE22 GLN 27 HE22 GLN 27 -5.176 11.536 5.662
219 H LYS 28 HN LYS 28 -6.503 9.289 1.400
220 HA LYS 28 HA LYS 28 -3.738 9.730 2.474
221 HB2 LYS 28 HB2 LYS 28 -4.232 9.064 -0.432
222 HB3 LYS 28 HB1 LYS 28 -2.724 8.989 0.479
223 HG2 LYS 28 HG2 LYS 28 -3.858 7.178 1.904
224 HG3 LYS 28 HG1 LYS 28 -5.091 7.120 0.645
225 HD2 LYS 28 HD2 LYS 28 -2.121 6.742 0.161
226 HD3 LYS 28 HD1 LYS 28 -3.291 5.429 0.294
227 HE2 LYS 28 HE2 LYS 28 -4.583 6.618 -1.590
228 HE3 LYS 28 HE1 LYS 28 -3.113 7.561 -1.839
229 HZ1 LYS 28 HZ1 LYS 28 -3.113 5.642 -3.267
230 HZ2 LYS 28 HZ2 LYS 28 -3.345 4.602 -1.943
231 HZ3 LYS 28 HZ3 LYS 28 -1.893 5.470 -2.100
232 H ASP 29 HN ASP 29 -3.228 11.848 2.378
233 HA ASP 29 HA ASP 29 -3.408 14.132 1.848
234 HB2 ASP 29 HB2 ASP 29 -2.404 13.173 -0.259
235 HB3 ASP 29 HB1 ASP 29 -4.034 13.080 -0.924
236 H GLY 30 HN GLY 30 -5.658 13.505 3.109
237 HA2 GLY 30 HA2 GLY 30 -7.984 13.856 3.274
238 HA3 GLY 30 HA1 GLY 30 -7.602 15.316 2.360
239 H ARG 31 HN ARG 31 -6.888 12.334 0.728
240 HA ARG 31 HA ARG 31 -9.410 12.617 -0.889
241 HB2 ARG 31 HB2 ARG 31 -6.541 12.180 -1.714
242 HB3 ARG 31 HB1 ARG 31 -7.858 11.630 -2.751
243 HG2 ARG 31 HG2 ARG 31 -8.742 13.855 -2.943
244 HG3 ARG 31 HG1 ARG 31 -7.648 14.461 -1.700
245 HD2 ARG 31 HD2 ARG 31 -5.729 14.123 -3.113
246 HD3 ARG 31 HD1 ARG 31 -6.691 13.242 -4.301
247 HE ARG 31 HE ARG 31 -7.915 15.727 -4.160
248 HH11 ARG 31 HH21 ARG 31 -4.727 14.526 -4.686
249 HH12 ARG 31 HH22 ARG 31 -4.255 15.843 -5.707
250 HH21 ARG 31 HH11 ARG 31 -7.319 17.454 -5.490
251 HH22 ARG 31 HH12 ARG 31 -5.722 17.502 -6.162
252 H ARG 32 HN ARG 32 -10.607 10.810 -1.048
253 HA ARG 32 HA ARG 32 -9.536 8.264 0.067
254 HB2 ARG 32 HB2 ARG 32 -12.310 9.266 -0.620
255 HB3 ARG 32 HB1 ARG 32 -11.996 7.566 -0.264
256 HG2 ARG 32 HG2 ARG 32 -11.171 8.106 1.938
257 HG3 ARG 32 HG1 ARG 32 -11.218 9.834 1.587
258 HD2 ARG 32 HD2 ARG 32 -13.172 9.046 2.951
259 HD3 ARG 32 HD1 ARG 32 -13.640 9.792 1.423
260 HE ARG 32 HE ARG 32 -13.450 7.093 0.815
261 HH11 ARG 32 HH21 ARG 32 -15.065 9.027 3.170
262 HH12 ARG 32 HH22 ARG 32 -16.415 7.952 3.321
263 HH21 ARG 32 HH11 ARG 32 -15.204 5.679 0.999
264 HH22 ARG 32 HH12 ARG 32 -16.494 6.057 2.092
265 H VAL 33 HN VAL 33 -9.078 6.537 -1.308
266 HA VAL 33 HA VAL 33 -9.985 6.737 -4.172
267 HB VAL 33 HB VAL 33 -7.245 5.791 -3.264
268 HG11 VAL 33 HG11 VAL 33 -8.055 4.697 -5.300
269 HG12 VAL 33 HG12 VAL 33 -6.812 5.871 -5.735
270 HG13 VAL 33 HG13 VAL 33 -8.514 6.253 -5.989
271 HG21 VAL 33 HG21 VAL 33 -8.240 8.444 -4.345
272 HG22 VAL 33 HG22 VAL 33 -6.590 7.915 -4.671
273 HG23 VAL 33 HG23 VAL 33 -7.124 8.148 -3.012
274 H GLU 34 HN GLU 34 -10.490 4.811 -5.147
275 HA GLU 34 HA GLU 34 -10.836 2.493 -3.289
276 HB2 GLU 34 HB2 GLU 34 -12.120 2.694 -6.010
277 HB3 GLU 34 HB1 GLU 34 -12.695 1.866 -4.563
278 HG2 GLU 34 HG2 GLU 34 -14.066 3.782 -4.688
279 HG3 GLU 34 HG1 GLU 34 -12.837 4.229 -3.508
280 H PHE 35 HN PHE 35 -10.358 0.368 -4.033
281 HA PHE 35 HA PHE 35 -8.638 0.070 -6.458
282 HB2 PHE 35 HB2 PHE 35 -7.913 -0.578 -3.598
283 HB3 PHE 35 HB1 PHE 35 -7.182 -1.454 -4.942
284 HD1 PHE 35 HD1 PHE 35 -6.364 0.166 -6.934
285 HD2 PHE 35 HD2 PHE 35 -6.752 1.301 -2.816
286 HE1 PHE 35 HE1 PHE 35 -4.735 1.996 -7.294
287 HE2 PHE 35 HE2 PHE 35 -5.110 3.130 -3.169
288 HZ PHE 35 HZ PHE 35 -4.111 3.485 -5.411
289 H THR 36 HN THR 36 -9.083 -1.847 -7.498
290 HA THR 36 HA THR 36 -10.913 -3.785 -6.101
291 HB THR 36 HB THR 36 -11.612 -4.348 -8.506
292 HG1 THR 36 HG1 THR 36 -10.302 -3.375 -9.850
293 HG21 THR 36 HG21 THR 36 -12.201 -1.558 -7.484
294 HG22 THR 36 HG22 THR 36 -12.983 -3.028 -6.903
295 HG23 THR 36 HG23 THR 36 -13.212 -2.509 -8.573
296 H ALA 37 HN ALA 37 -10.571 -6.021 -6.555
297 HA ALA 37 HA ALA 37 -7.970 -6.964 -6.483
298 HB1 ALA 37 HB1 ALA 37 -8.823 -9.126 -7.019
299 HB2 ALA 37 HB2 ALA 37 -10.160 -8.445 -7.945
300 HB3 ALA 37 HB3 ALA 37 -10.131 -8.285 -6.189
301 H THR 38 HN THR 38 -9.566 -5.671 -9.293
302 HA THR 38 HA THR 38 -7.942 -7.048 -11.249
303 HB THR 38 HB THR 38 -9.314 -4.382 -11.629
304 HG1 THR 38 HG1 THR 38 -10.340 -6.885 -11.130
305 HG21 THR 38 HG21 THR 38 -8.665 -6.710 -13.457
306 HG22 THR 38 HG22 THR 38 -7.909 -5.117 -13.478
307 HG23 THR 38 HG23 THR 38 -9.603 -5.295 -13.934
308 H SER 39 HN SER 39 -7.440 -4.258 -9.211
309 HA SER 39 HA SER 39 -4.993 -3.534 -10.812
310 HB2 SER 39 HB2 SER 39 -5.142 -1.337 -9.813
311 HB3 SER 39 HB1 SER 39 -6.713 -1.733 -10.487
312 HG SER 39 HG SER 39 -7.395 -2.308 -8.408
313 H VAL 40 HN VAL 40 -5.519 -5.635 -8.606
314 HA VAL 40 HA VAL 40 -4.165 -4.934 -6.223
315 HB VAL 40 HB VAL 40 -5.502 -7.026 -6.630
316 HG11 VAL 40 HG11 VAL 40 -4.429 -8.947 -7.678
317 HG12 VAL 40 HG12 VAL 40 -2.981 -7.999 -8.003
318 HG13 VAL 40 HG13 VAL 40 -4.494 -7.611 -8.823
319 HG21 VAL 40 HG21 VAL 40 -3.941 -6.791 -4.676
320 HG22 VAL 40 HG22 VAL 40 -2.705 -7.609 -5.629
321 HG23 VAL 40 HG23 VAL 40 -4.186 -8.457 -5.188
322 H SER 41 HN SER 41 -2.857 -5.179 -9.376
323 HA SER 41 HA SER 41 -0.168 -5.980 -8.500
324 HB2 SER 41 HB2 SER 41 -0.953 -6.599 -10.740
325 HB3 SER 41 HB1 SER 41 -1.166 -4.900 -11.151
326 HG SER 41 HG SER 41 0.964 -6.263 -11.538
327 H ASP 42 HN ASP 42 -1.568 -2.977 -9.896
328 HA ASP 42 HA ASP 42 0.770 -1.407 -9.581
329 HB2 ASP 42 HB2 ASP 42 -0.979 0.532 -9.391
330 HB3 ASP 42 HB1 ASP 42 -0.904 -0.404 -10.884
331 H LEU 43 HN LEU 43 -1.626 -2.435 -7.221
332 HA LEU 43 HA LEU 43 -0.852 -0.491 -5.216
333 HB2 LEU 43 HB2 LEU 43 -3.027 -1.738 -5.163
334 HB3 LEU 43 HB1 LEU 43 -2.119 -3.207 -4.824
335 HG LEU 43 HG LEU 43 -1.106 -1.749 -2.829
336 HD11 LEU 43 HD11 LEU 43 -2.516 0.247 -3.745
337 HD12 LEU 43 HD12 LEU 43 -2.474 -0.038 -2.006
338 HD13 LEU 43 HD13 LEU 43 -3.865 -0.558 -2.952
339 HD21 LEU 43 HD21 LEU 43 -2.282 -3.764 -2.355
340 HD22 LEU 43 HD22 LEU 43 -3.812 -3.095 -2.912
341 HD23 LEU 43 HD23 LEU 43 -3.091 -2.516 -1.410
342 H LYS 44 HN LYS 44 0.105 -3.847 -5.977
343 HA LYS 44 HA LYS 44 1.794 -4.331 -3.774
344 HB2 LYS 44 HB2 LYS 44 1.755 -5.240 -6.628
345 HB3 LYS 44 HB1 LYS 44 3.236 -5.542 -5.723
346 HG2 LYS 44 HG2 LYS 44 1.953 -6.711 -3.984
347 HG3 LYS 44 HG1 LYS 44 0.457 -6.393 -4.862
348 HD2 LYS 44 HD2 LYS 44 1.356 -7.654 -6.808
349 HD3 LYS 44 HD1 LYS 44 2.806 -8.022 -5.874
350 HE2 LYS 44 HE2 LYS 44 -0.019 -8.965 -5.398
351 HE3 LYS 44 HE1 LYS 44 1.444 -9.931 -5.585
352 HZ1 LYS 44 HZ1 LYS 44 0.694 -9.761 -3.265
353 HZ2 LYS 44 HZ2 LYS 44 0.922 -8.078 -3.324
354 HZ3 LYS 44 HZ3 LYS 44 2.251 -9.124 -3.491
355 H LYS 45 HN LYS 45 2.363 -2.334 -6.643
356 HA LYS 45 HA LYS 45 5.174 -1.885 -6.049
357 HB2 LYS 45 HB2 LYS 45 3.186 -0.446 -7.820
358 HB3 LYS 45 HB1 LYS 45 4.869 0.058 -7.670
359 HG2 LYS 45 HG2 LYS 45 5.612 -2.179 -8.398
360 HG3 LYS 45 HG1 LYS 45 3.935 -2.696 -8.527
361 HD2 LYS 45 HD2 LYS 45 4.583 -2.102 -10.745
362 HD3 LYS 45 HD1 LYS 45 3.593 -0.766 -10.164
363 HE2 LYS 45 HE2 LYS 45 5.464 0.639 -9.843
364 HE3 LYS 45 HE1 LYS 45 6.599 -0.709 -9.863
365 HZ1 LYS 45 HZ1 LYS 45 5.058 -0.555 -12.261
366 HZ2 LYS 45 HZ2 LYS 45 6.743 -0.619 -12.060
367 HZ3 LYS 45 HZ3 LYS 45 5.933 0.871 -11.983
368 H TYR 46 HN TYR 46 2.199 0.001 -5.503
369 HA TYR 46 HA TYR 46 3.311 2.309 -4.347
370 HB2 TYR 46 HB2 TYR 46 0.905 1.985 -4.855
371 HB3 TYR 46 HB1 TYR 46 0.794 0.840 -3.526
372 HD1 TYR 46 HD2 TYR 46 2.169 4.310 -4.052
373 HD2 TYR 46 HD1 TYR 46 -0.186 1.691 -1.585
374 HE1 TYR 46 HE2 TYR 46 1.711 6.182 -2.496
375 HE2 TYR 46 HE1 TYR 46 -0.661 3.573 -0.041
376 HH TYR 46 HH TYR 46 0.377 5.730 0.590
377 H ILE 47 HN ILE 47 2.969 -0.919 -3.022
378 HA ILE 47 HA ILE 47 3.576 -0.105 -0.282
379 HB ILE 47 HB ILE 47 3.482 -2.814 -1.635
380 HG12 ILE 47 HG12 ILE 47 1.676 -1.619 0.486
381 HG13 ILE 47 HG11 ILE 47 1.336 -1.491 -1.239
382 HG21 ILE 47 HG21 ILE 47 4.116 -2.023 1.214
383 HG22 ILE 47 HG22 ILE 47 5.029 -3.096 0.153
384 HG23 ILE 47 HG23 ILE 47 3.479 -3.618 0.814
385 HD11 ILE 47 HD11 ILE 47 0.205 -3.440 -0.082
386 HD12 ILE 47 HD12 ILE 47 1.809 -4.130 0.168
387 HD13 ILE 47 HD13 ILE 47 1.200 -3.884 -1.469
388 H ALA 48 HN ALA 48 5.361 -1.300 -3.072
389 HA ALA 48 HA ALA 48 7.838 -1.732 -1.625
390 HB1 ALA 48 HB1 ALA 48 7.366 -2.863 -3.766
391 HB2 ALA 48 HB2 ALA 48 8.844 -1.907 -3.871
392 HB3 ALA 48 HB3 ALA 48 7.351 -1.302 -4.587
393 H GLU 49 HN GLU 49 6.459 0.955 -3.486
394 HA GLU 49 HA GLU 49 8.836 2.562 -3.489
395 HB2 GLU 49 HB2 GLU 49 6.777 2.876 -4.952
396 HB3 GLU 49 HB1 GLU 49 6.005 3.617 -3.553
397 HG2 GLU 49 HG2 GLU 49 6.952 5.419 -4.805
398 HG3 GLU 49 HG1 GLU 49 8.020 5.172 -3.422
399 H LEU 50 HN LEU 50 6.200 2.213 -1.126
400 HA LEU 50 HA LEU 50 7.092 4.516 0.421
401 HB2 LEU 50 HB2 LEU 50 5.249 2.214 1.153
402 HB3 LEU 50 HB1 LEU 50 5.701 3.468 2.299
403 HG LEU 50 HG LEU 50 4.354 3.980 -0.373
404 HD11 LEU 50 HD11 LEU 50 2.673 2.992 0.940
405 HD12 LEU 50 HD12 LEU 50 2.462 4.702 1.295
406 HD13 LEU 50 HD13 LEU 50 3.307 3.660 2.443
407 HD21 LEU 50 HD21 LEU 50 3.937 6.242 1.031
408 HD22 LEU 50 HD22 LEU 50 5.384 6.019 0.058
409 HD23 LEU 50 HD23 LEU 50 5.446 5.747 1.801
410 H GLU 51 HN GLU 51 7.892 1.073 0.430
411 HA GLU 51 HA GLU 51 9.277 1.121 2.947
412 HB2 GLU 51 HB2 GLU 51 9.488 -0.674 0.521
413 HB3 GLU 51 HB1 GLU 51 10.561 -0.873 1.906
414 HG2 GLU 51 HG2 GLU 51 7.544 -0.815 2.131
415 HG3 GLU 51 HG1 GLU 51 8.475 -2.303 1.967
416 H VAL 52 HN VAL 52 10.170 2.136 -0.301
417 HA VAL 52 HA VAL 52 13.010 2.421 0.394
418 HB VAL 52 HB VAL 52 11.410 3.342 -2.014
419 HG11 VAL 52 HG11 VAL 52 13.751 3.594 -3.010
420 HG12 VAL 52 HG12 VAL 52 14.358 3.514 -1.356
421 HG13 VAL 52 HG13 VAL 52 13.278 4.821 -1.836
422 HG21 VAL 52 HG21 VAL 52 11.564 0.964 -2.037
423 HG22 VAL 52 HG22 VAL 52 13.225 0.988 -1.445
424 HG23 VAL 52 HG23 VAL 52 12.867 1.514 -3.090
425 H GLN 53 HN GLN 53 10.132 4.345 0.626
426 HA GLN 53 HA GLN 53 11.668 6.875 0.851
427 HB2 GLN 53 HB2 GLN 53 8.698 6.260 0.957
428 HB3 GLN 53 HB1 GLN 53 9.373 7.872 1.193
429 HG2 GLN 53 HG2 GLN 53 10.405 7.790 -1.032
430 HG3 GLN 53 HG1 GLN 53 9.789 6.154 -1.271
431 HE21 GLN 53 HE21 GLN 53 9.115 9.298 -2.090
432 HE22 GLN 53 HE22 GLN 53 7.431 9.189 -2.277
433 H THR 54 HN THR 54 10.734 4.328 2.837
434 HA THR 54 HA THR 54 10.864 6.060 5.286
435 HB THR 54 HB THR 54 8.918 4.085 4.421
436 HG1 THR 54 HG1 THR 54 7.812 5.026 6.175
437 HG21 THR 54 HG21 THR 54 8.684 2.895 6.601
438 HG22 THR 54 HG22 THR 54 10.231 3.570 7.111
439 HG23 THR 54 HG23 THR 54 10.162 2.451 5.749
440 H GLY 55 HN GLY 55 12.276 3.495 3.492
441 HA2 GLY 55 HA2 GLY 55 13.494 1.987 5.577
442 HA3 GLY 55 HA1 GLY 55 14.138 2.141 3.939
443 H MET 56 HN MET 56 16.050 2.084 5.888
444 HA MET 56 HA MET 56 16.650 4.800 6.825
445 HB2 MET 56 HB2 MET 56 18.209 2.200 6.925
446 HB3 MET 56 HB1 MET 56 18.779 3.715 7.626
447 HG2 MET 56 HG2 MET 56 17.708 2.486 9.396
448 HG3 MET 56 HG1 MET 56 16.619 3.800 8.950
449 HE1 MET 56 HE1 MET 56 14.292 2.915 9.655
450 HE2 MET 56 HE2 MET 56 15.400 1.918 10.593
451 HE3 MET 56 HE3 MET 56 14.018 1.173 9.791
452 H THR 57 HN THR 57 16.439 5.263 4.271
453 HA THR 57 HA THR 57 18.949 4.757 2.813
454 HB THR 57 HB THR 57 16.723 4.797 1.655
455 HG1 THR 57 HG1 THR 57 18.088 6.969 0.604
456 HG21 THR 57 HG21 THR 57 15.538 6.862 1.362
457 HG22 THR 57 HG22 THR 57 16.842 7.790 2.107
458 HG23 THR 57 HG23 THR 57 15.854 6.708 3.090
459 H GLN 58 HN GLN 58 17.294 7.462 4.391
460 HA GLN 58 HA GLN 58 18.798 9.637 3.580
461 HB2 GLN 58 HB2 GLN 58 16.928 9.686 5.254
462 HB3 GLN 58 HB1 GLN 58 18.056 9.078 6.466
463 HG2 GLN 58 HG2 GLN 58 19.475 11.038 6.197
464 HG3 GLN 58 HG1 GLN 58 18.463 11.628 4.878
465 HE21 GLN 58 HE21 GLN 58 19.044 12.304 8.015
466 HE22 GLN 58 HE22 GLN 58 17.498 12.781 8.525
467 H ARG 59 HN ARG 59 20.980 9.142 3.137
468 HA ARG 59 HA ARG 59 22.814 9.377 5.350
469 HB2 ARG 59 HB2 ARG 59 22.147 6.969 5.578
470 HB3 ARG 59 HB1 ARG 59 22.771 6.685 3.952
471 HG2 ARG 59 HG2 ARG 59 25.003 7.386 4.642
472 HG3 ARG 59 HG1 ARG 59 24.406 7.805 6.247
473 HD2 ARG 59 HD2 ARG 59 23.699 5.410 6.537
474 HD3 ARG 59 HD1 ARG 59 24.495 5.041 5.007
475 HE ARG 59 HE ARG 59 26.466 6.306 6.488
476 HH11 ARG 59 HH21 ARG 59 24.308 3.656 6.939
477 HH12 ARG 59 HH22 ARG 59 25.387 2.781 7.973
478 HH21 ARG 59 HH11 ARG 59 27.887 5.179 7.835
479 HH22 ARG 59 HH12 ARG 59 27.414 3.643 8.481
480 H ARG 60 HN ARG 60 24.813 10.054 4.578
481 HA ARG 60 HA ARG 60 25.761 9.436 1.912
482 HB2 ARG 60 HB2 ARG 60 23.921 11.107 1.450
483 HB3 ARG 60 HB1 ARG 60 24.851 12.290 2.372
484 HG2 ARG 60 HG2 ARG 60 26.759 11.995 0.836
485 HG3 ARG 60 HG1 ARG 60 25.832 10.812 -0.089
486 HD2 ARG 60 HD2 ARG 60 25.152 13.741 0.293
487 HD3 ARG 60 HD1 ARG 60 25.666 12.965 -1.205
488 HE ARG 60 HE ARG 60 23.397 11.552 -0.475
489 HH11 ARG 60 HH21 ARG 60 24.242 14.862 -0.943
490 HH12 ARG 60 HH22 ARG 60 22.657 15.332 -1.460
491 HH21 ARG 60 HH11 ARG 60 21.323 12.146 -1.147
492 HH22 ARG 60 HH12 ARG 60 21.005 13.794 -1.576
493 H ARG 61 HN ARG 61 25.934 11.326 4.858
494 HA ARG 61 HA ARG 61 27.772 12.264 5.981
495 HB2 ARG 61 HB2 ARG 61 29.330 10.183 4.421
496 HB3 ARG 61 HB1 ARG 61 29.797 10.933 5.948
497 HG2 ARG 61 HG2 ARG 61 27.774 9.943 7.016
498 HG3 ARG 61 HG1 ARG 61 27.404 9.126 5.497
499 HD2 ARG 61 HD2 ARG 61 28.605 7.613 7.026
500 HD3 ARG 61 HD1 ARG 61 29.580 7.957 5.597
501 HE ARG 61 HE ARG 61 30.388 9.876 7.425
502 HH11 ARG 61 HH21 ARG 61 30.060 6.444 7.378
503 HH12 ARG 61 HH22 ARG 61 31.366 6.171 8.483
504 HH21 ARG 61 HH11 ARG 61 32.094 9.539 8.868
505 HH22 ARG 61 HH12 ARG 61 32.518 7.923 9.326
506 H GLY 62 HN GLY 62 30.519 12.336 4.910
507 HA2 GLY 62 HA2 GLY 62 30.598 13.585 2.340
508 HA3 GLY 62 HA1 GLY 62 30.452 14.835 3.576
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 9.798 12.398 8.976
2 H2 MET 1 HT2 MET 1 10.561 11.174 9.876
3 H3 MET 1 HT3 MET 1 8.870 11.185 9.713
4 HA MET 1 HA MET 1 9.105 10.829 7.311
5 HB2 MET 1 HB2 MET 1 12.018 10.320 7.956
6 HB3 MET 1 HB1 MET 1 11.256 10.363 6.365
7 HG2 MET 1 HG2 MET 1 11.554 12.715 8.258
8 HG3 MET 1 HG1 MET 1 12.470 12.456 6.773
9 HE1 MET 1 HE1 MET 1 9.716 15.425 6.500
10 HE2 MET 1 HE2 MET 1 11.438 15.107 6.685
11 HE3 MET 1 HE3 MET 1 10.337 14.764 8.018
12 H VAL 2 HN VAL 2 7.840 9.320 8.900
13 HA VAL 2 HA VAL 2 9.073 6.618 8.687
14 HB VAL 2 HB VAL 2 8.043 6.207 11.066
15 HG11 VAL 2 HG11 VAL 2 10.580 7.787 10.565
16 HG12 VAL 2 HG12 VAL 2 10.419 6.037 10.729
17 HG13 VAL 2 HG13 VAL 2 10.176 7.080 12.129
18 HG21 VAL 2 HG21 VAL 2 8.022 8.174 12.510
19 HG22 VAL 2 HG22 VAL 2 6.935 8.458 11.152
20 HG23 VAL 2 HG23 VAL 2 8.533 9.202 11.172
21 H ARG 3 HN ARG 3 7.532 6.115 7.042
22 HA ARG 3 HA ARG 3 4.701 6.642 7.408
23 HB2 ARG 3 HB2 ARG 3 6.371 5.067 5.459
24 HB3 ARG 3 HB1 ARG 3 4.627 4.818 5.481
25 HG2 ARG 3 HG2 ARG 3 5.320 6.571 3.847
26 HG3 ARG 3 HG1 ARG 3 4.242 7.198 5.091
27 HD2 ARG 3 HD2 ARG 3 6.238 8.667 4.615
28 HD3 ARG 3 HD1 ARG 3 6.086 8.178 6.301
29 HE ARG 3 HE ARG 3 7.726 6.238 5.193
30 HH11 ARG 3 HH21 ARG 3 7.664 9.682 5.350
31 HH12 ARG 3 HH22 ARG 3 9.387 9.848 5.310
32 HH21 ARG 3 HH11 ARG 3 9.975 6.435 5.140
33 HH22 ARG 3 HH12 ARG 3 10.697 8.009 5.192
34 H GLN 4 HN GLN 4 6.428 4.900 9.349
35 HA GLN 4 HA GLN 4 5.680 2.246 9.446
36 HB2 GLN 4 HB2 GLN 4 5.719 4.205 11.755
37 HB3 GLN 4 HB1 GLN 4 5.720 2.449 11.926
38 HG2 GLN 4 HG2 GLN 4 7.809 3.983 10.354
39 HG3 GLN 4 HG1 GLN 4 8.015 3.491 12.037
40 HE21 GLN 4 HE21 GLN 4 9.756 2.471 10.027
41 HE22 GLN 4 HE22 GLN 4 9.445 0.815 9.826
42 H GLU 5 HN GLU 5 3.583 5.022 10.276
43 HA GLU 5 HA GLU 5 1.412 3.294 11.238
44 HB2 GLU 5 HB2 GLU 5 1.786 6.232 10.729
45 HB3 GLU 5 HB1 GLU 5 0.133 5.625 10.799
46 HG2 GLU 5 HG2 GLU 5 2.173 5.022 12.956
47 HG3 GLU 5 HG1 GLU 5 1.111 6.429 13.015
48 H GLU 6 HN GLU 6 1.167 5.645 8.543
49 HA GLU 6 HA GLU 6 -0.979 4.430 7.262
50 HB2 GLU 6 HB2 GLU 6 -0.249 5.476 5.159
51 HB3 GLU 6 HB1 GLU 6 -0.103 6.591 6.511
52 HG2 GLU 6 HG2 GLU 6 2.187 6.725 6.323
53 HG3 GLU 6 HG1 GLU 6 2.361 5.009 5.985
54 H LEU 7 HN LEU 7 2.366 3.394 7.228
55 HA LEU 7 HA LEU 7 2.299 1.603 5.025
56 HB2 LEU 7 HB2 LEU 7 4.407 2.040 6.081
57 HB3 LEU 7 HB1 LEU 7 3.790 1.572 7.659
58 HG LEU 7 HG LEU 7 3.677 -0.760 6.998
59 HD11 LEU 7 HD11 LEU 7 4.554 -1.378 4.687
60 HD12 LEU 7 HD12 LEU 7 4.391 0.326 4.265
61 HD13 LEU 7 HD13 LEU 7 2.969 -0.611 4.712
62 HD21 LEU 7 HD21 LEU 7 5.881 0.168 7.713
63 HD22 LEU 7 HD22 LEU 7 6.284 0.439 6.018
64 HD23 LEU 7 HD23 LEU 7 6.043 -1.203 6.617
65 H ALA 8 HN ALA 8 1.703 0.929 8.495
66 HA ALA 8 HA ALA 8 0.923 -1.755 8.274
67 HB1 ALA 8 HB1 ALA 8 -0.507 -1.250 10.332
68 HB2 ALA 8 HB2 ALA 8 0.013 0.426 10.157
69 HB3 ALA 8 HB3 ALA 8 1.203 -0.839 10.456
70 H ALA 9 HN ALA 9 -1.002 1.161 7.677
71 HA ALA 9 HA ALA 9 -3.532 -0.183 7.456
72 HB1 ALA 9 HB1 ALA 9 -3.217 2.299 7.734
73 HB2 ALA 9 HB2 ALA 9 -4.328 1.862 6.436
74 HB3 ALA 9 HB3 ALA 9 -2.681 2.366 6.055
75 H ALA 10 HN ALA 10 -1.080 0.704 5.018
76 HA ALA 10 HA ALA 10 -2.532 -0.144 2.730
77 HB1 ALA 10 HB1 ALA 10 -0.397 -0.236 1.597
78 HB2 ALA 10 HB2 ALA 10 0.463 -0.382 3.129
79 HB3 ALA 10 HB3 ALA 10 -0.356 1.125 2.718
80 H ARG 11 HN ARG 11 -0.367 -1.986 4.886
81 HA ARG 11 HA ARG 11 -0.398 -4.432 3.461
82 HB2 ARG 11 HB2 ARG 11 -0.204 -3.849 6.425
83 HB3 ARG 11 HB1 ARG 11 -0.042 -5.475 5.762
84 HG2 ARG 11 HG2 ARG 11 1.794 -4.639 4.284
85 HG3 ARG 11 HG1 ARG 11 1.685 -3.076 5.094
86 HD2 ARG 11 HD2 ARG 11 2.457 -5.736 6.313
87 HD3 ARG 11 HD1 ARG 11 3.445 -4.280 6.190
88 HE ARG 11 HE ARG 11 1.255 -3.467 7.679
89 HH11 ARG 11 HH21 ARG 11 3.572 -6.015 7.822
90 HH12 ARG 11 HH22 ARG 11 3.544 -6.125 9.550
91 HH21 ARG 11 HH11 ARG 11 1.203 -3.595 9.935
92 HH22 ARG 11 HH12 ARG 11 2.202 -4.754 10.746
93 H ALA 12 HN ALA 12 -2.728 -3.040 5.728
94 HA ALA 12 HA ALA 12 -4.369 -5.351 6.064
95 HB1 ALA 12 HB1 ALA 12 -6.113 -3.771 6.769
96 HB2 ALA 12 HB2 ALA 12 -5.199 -2.433 6.073
97 HB3 ALA 12 HB3 ALA 12 -4.557 -3.309 7.462
98 H ALA 13 HN ALA 13 -4.439 -2.751 3.627
99 HA ALA 13 HA ALA 13 -6.833 -3.519 2.325
100 HB1 ALA 13 HB1 ALA 13 -4.469 -2.527 0.743
101 HB2 ALA 13 HB2 ALA 13 -5.239 -1.469 1.924
102 HB3 ALA 13 HB3 ALA 13 -6.178 -2.110 0.576
103 H LEU 14 HN LEU 14 -3.537 -4.798 2.013
104 HA LEU 14 HA LEU 14 -4.068 -6.471 -0.263
105 HB2 LEU 14 HB2 LEU 14 -1.776 -6.073 0.276
106 HB3 LEU 14 HB1 LEU 14 -1.996 -6.576 1.945
107 HG LEU 14 HG LEU 14 -2.362 -8.910 1.203
108 HD11 LEU 14 HD11 LEU 14 -1.840 -9.433 -1.213
109 HD12 LEU 14 HD12 LEU 14 -1.926 -7.706 -1.545
110 HD13 LEU 14 HD13 LEU 14 -3.355 -8.565 -0.978
111 HD21 LEU 14 HD21 LEU 14 0.121 -7.706 -0.050
112 HD22 LEU 14 HD22 LEU 14 -0.080 -9.367 0.509
113 HD23 LEU 14 HD23 LEU 14 -0.063 -8.042 1.672
114 H HIS 15 HN HIS 15 -4.529 -6.910 3.217
115 HA HIS 15 HA HIS 15 -5.212 -9.726 2.990
116 HB2 HIS 15 HB2 HIS 15 -4.304 -8.725 5.077
117 HB3 HIS 15 HB1 HIS 15 -5.787 -7.785 5.237
118 HD1 HIS 15 HD1 HIS 15 -4.435 -11.265 5.550
119 HD2 HIS 15 HD2 HIS 15 -8.094 -9.312 5.966
120 HE1 HIS 15 HE1 HIS 15 -5.998 -12.907 6.678
121 H ASP 16 HN ASP 16 -7.072 -6.722 3.230
122 HA ASP 16 HA ASP 16 -9.575 -8.165 3.348
123 HB2 ASP 16 HB2 ASP 16 -9.087 -5.797 4.212
124 HB3 ASP 16 HB1 ASP 16 -9.256 -5.275 2.538
125 H LEU 17 HN LEU 17 -7.631 -6.870 0.701
126 HA LEU 17 HA LEU 17 -9.831 -7.094 -1.213
127 HB2 LEU 17 HB2 LEU 17 -6.871 -6.573 -1.560
128 HB3 LEU 17 HB1 LEU 17 -7.928 -6.839 -2.939
129 HG LEU 17 HG LEU 17 -8.370 -4.709 -0.829
130 HD11 LEU 17 HD11 LEU 17 -6.391 -4.144 -2.067
131 HD12 LEU 17 HD12 LEU 17 -7.702 -3.182 -2.742
132 HD13 LEU 17 HD13 LEU 17 -7.136 -4.617 -3.592
133 HD21 LEU 17 HD21 LEU 17 -9.813 -3.884 -2.961
134 HD22 LEU 17 HD22 LEU 17 -10.494 -4.954 -1.743
135 HD23 LEU 17 HD23 LEU 17 -9.889 -5.620 -3.258
136 H MET 18 HN MET 18 -7.249 -9.240 -0.132
137 HA MET 18 HA MET 18 -7.990 -11.183 -2.276
138 HB2 MET 18 HB2 MET 18 -5.629 -10.838 -2.156
139 HB3 MET 18 HB1 MET 18 -5.632 -10.974 -0.399
140 HG2 MET 18 HG2 MET 18 -4.786 -13.018 -1.665
141 HG3 MET 18 HG1 MET 18 -6.054 -13.328 -0.484
142 HE1 MET 18 HE1 MET 18 -4.820 -13.515 -3.988
143 HE2 MET 18 HE2 MET 18 -5.734 -12.023 -4.188
144 HE3 MET 18 HE3 MET 18 -6.238 -13.477 -5.045
145 H THR 19 HN THR 19 -8.840 -10.489 0.887
146 HA THR 19 HA THR 19 -9.170 -13.327 1.682
147 HB THR 19 HB THR 19 -9.810 -10.718 3.088
148 HG1 THR 19 HG1 THR 19 -8.171 -12.449 4.328
149 HG21 THR 19 HG21 THR 19 -10.319 -13.589 3.866
150 HG22 THR 19 HG22 THR 19 -11.460 -12.247 3.852
151 HG23 THR 19 HG23 THR 19 -10.182 -12.303 5.065
152 H GLY 20 HN GLY 20 -11.027 -10.730 0.266
153 HA2 GLY 20 HA2 GLY 20 -13.115 -12.304 -0.661
154 HA3 GLY 20 HA1 GLY 20 -13.620 -11.847 0.964
155 H LYS 21 HN LYS 21 -13.217 -9.323 1.353
156 HA LYS 21 HA LYS 21 -15.047 -7.905 -0.200
157 HB2 LYS 21 HB2 LYS 21 -12.695 -6.353 0.824
158 HB3 LYS 21 HB1 LYS 21 -14.415 -6.011 0.978
159 HG2 LYS 21 HG2 LYS 21 -12.786 -8.028 2.542
160 HG3 LYS 21 HG1 LYS 21 -13.613 -6.599 3.156
161 HD2 LYS 21 HD2 LYS 21 -15.735 -7.883 2.040
162 HD3 LYS 21 HD1 LYS 21 -14.731 -9.275 2.440
163 HE2 LYS 21 HE2 LYS 21 -16.223 -8.777 4.307
164 HE3 LYS 21 HE1 LYS 21 -14.555 -8.448 4.778
165 HZ1 LYS 21 HZ1 LYS 21 -15.608 -6.139 3.602
166 HZ2 LYS 21 HZ2 LYS 21 -15.126 -6.370 5.215
167 HZ3 LYS 21 HZ3 LYS 21 -16.730 -6.684 4.751
168 H ARG 22 HN ARG 22 -15.004 -6.999 -2.215
169 HA ARG 22 HA ARG 22 -12.506 -7.276 -3.797
170 HB2 ARG 22 HB2 ARG 22 -15.254 -6.410 -4.734
171 HB3 ARG 22 HB1 ARG 22 -13.909 -6.957 -5.734
172 HG2 ARG 22 HG2 ARG 22 -14.007 -9.163 -4.503
173 HG3 ARG 22 HG1 ARG 22 -15.497 -8.599 -3.746
174 HD2 ARG 22 HD2 ARG 22 -16.451 -8.229 -6.039
175 HD3 ARG 22 HD1 ARG 22 -15.002 -8.976 -6.712
176 HE ARG 22 HE ARG 22 -15.926 -10.851 -4.896
177 HH11 ARG 22 HH21 ARG 22 -17.239 -9.073 -7.542
178 HH12 ARG 22 HH22 ARG 22 -18.364 -10.312 -7.989
179 HH21 ARG 22 HH11 ARG 22 -17.387 -12.480 -5.464
180 HH22 ARG 22 HH12 ARG 22 -18.448 -12.241 -6.813
181 H VAL 23 HN VAL 23 -14.262 -4.866 -2.107
182 HA VAL 23 HA VAL 23 -12.834 -2.683 -3.605
183 HB VAL 23 HB VAL 23 -15.443 -2.641 -2.064
184 HG11 VAL 23 HG11 VAL 23 -14.365 -0.549 -1.619
185 HG12 VAL 23 HG12 VAL 23 -15.515 -0.243 -2.920
186 HG13 VAL 23 HG13 VAL 23 -13.800 -0.414 -3.284
187 HG21 VAL 23 HG21 VAL 23 -14.696 -2.371 -4.983
188 HG22 VAL 23 HG22 VAL 23 -16.259 -1.847 -4.355
189 HG23 VAL 23 HG23 VAL 23 -15.790 -3.543 -4.248
190 H ALA 24 HN ALA 24 -11.779 -1.093 -2.388
191 HA ALA 24 HA ALA 24 -11.781 -1.241 0.560
192 HB1 ALA 24 HB1 ALA 24 -10.026 -2.804 0.223
193 HB2 ALA 24 HB2 ALA 24 -9.189 -1.274 0.484
194 HB3 ALA 24 HB3 ALA 24 -9.380 -1.908 -1.149
195 H THR 25 HN THR 25 -10.888 0.717 1.493
196 HA THR 25 HA THR 25 -10.367 2.927 -0.484
197 HB THR 25 HB THR 25 -11.569 4.403 1.203
198 HG1 THR 25 HG1 THR 25 -11.851 1.897 2.332
199 HG21 THR 25 HG21 THR 25 -12.574 3.555 -0.938
200 HG22 THR 25 HG22 THR 25 -13.756 3.875 0.330
201 HG23 THR 25 HG23 THR 25 -13.265 2.218 -0.022
202 H VAL 26 HN VAL 26 -9.052 4.685 0.393
203 HA VAL 26 HA VAL 26 -7.633 4.131 2.952
204 HB VAL 26 HB VAL 26 -6.043 4.926 0.498
205 HG11 VAL 26 HG11 VAL 26 -4.204 3.931 1.855
206 HG12 VAL 26 HG12 VAL 26 -5.359 3.626 3.151
207 HG13 VAL 26 HG13 VAL 26 -4.992 5.282 2.669
208 HG21 VAL 26 HG21 VAL 26 -5.369 2.428 0.517
209 HG22 VAL 26 HG22 VAL 26 -6.913 2.851 -0.217
210 HG23 VAL 26 HG23 VAL 26 -6.867 2.165 1.408
211 H GLN 27 HN GLN 27 -7.268 6.012 4.073
212 HA GLN 27 HA GLN 27 -8.340 8.495 2.928
213 HB2 GLN 27 HB2 GLN 27 -7.168 7.816 5.646
214 HB3 GLN 27 HB1 GLN 27 -7.807 9.404 5.225
215 HG2 GLN 27 HG2 GLN 27 -9.998 8.393 4.715
216 HG3 GLN 27 HG1 GLN 27 -9.361 6.801 5.129
217 HE21 GLN 27 HE21 GLN 27 -11.193 9.244 6.419
218 HE22 GLN 27 HE22 GLN 27 -10.845 9.025 8.066
219 H LYS 28 HN LYS 28 -6.959 9.449 1.481
220 HA LYS 28 HA LYS 28 -4.198 10.116 2.455
221 HB2 LYS 28 HB2 LYS 28 -4.875 9.317 -0.401
222 HB3 LYS 28 HB1 LYS 28 -3.288 9.756 0.223
223 HG2 LYS 28 HG2 LYS 28 -3.166 7.806 1.590
224 HG3 LYS 28 HG1 LYS 28 -4.877 7.450 1.359
225 HD2 LYS 28 HD2 LYS 28 -3.307 6.019 -0.019
226 HD3 LYS 28 HD1 LYS 28 -4.530 6.878 -0.952
227 HE2 LYS 28 HE2 LYS 28 -1.796 8.074 -0.500
228 HE3 LYS 28 HE1 LYS 28 -2.092 6.944 -1.822
229 HZ1 LYS 28 HZ1 LYS 28 -2.804 8.697 -2.957
230 HZ2 LYS 28 HZ2 LYS 28 -2.846 9.688 -1.578
231 HZ3 LYS 28 HZ3 LYS 28 -4.174 8.699 -1.956
232 H ASP 29 HN ASP 29 -3.917 12.270 2.451
233 HA ASP 29 HA ASP 29 -4.322 14.544 2.029
234 HB2 ASP 29 HB2 ASP 29 -4.919 13.544 -0.773
235 HB3 ASP 29 HB1 ASP 29 -4.380 15.161 -0.316
236 H GLY 30 HN GLY 30 -6.479 13.643 3.320
237 HA2 GLY 30 HA2 GLY 30 -8.820 13.792 3.551
238 HA3 GLY 30 HA1 GLY 30 -8.593 15.312 2.683
239 H ARG 31 HN ARG 31 -7.622 12.525 0.888
240 HA ARG 31 HA ARG 31 -10.232 12.545 -0.605
241 HB2 ARG 31 HB2 ARG 31 -8.404 13.708 -1.836
242 HB3 ARG 31 HB1 ARG 31 -7.438 12.237 -1.750
243 HG2 ARG 31 HG2 ARG 31 -8.555 12.361 -3.922
244 HG3 ARG 31 HG1 ARG 31 -9.221 11.021 -2.995
245 HD2 ARG 31 HD2 ARG 31 -11.257 12.103 -2.643
246 HD3 ARG 31 HD1 ARG 31 -10.549 13.712 -2.794
247 HE ARG 31 HE ARG 31 -10.249 12.618 -5.321
248 HH11 ARG 31 HH21 ARG 31 -12.826 13.076 -3.076
249 HH12 ARG 31 HH22 ARG 31 -14.040 13.247 -4.299
250 HH21 ARG 31 HH11 ARG 31 -11.820 12.838 -6.932
251 HH22 ARG 31 HH12 ARG 31 -13.471 13.112 -6.483
252 H ARG 32 HN ARG 32 -11.139 10.572 -0.842
253 HA ARG 32 HA ARG 32 -9.615 8.180 0.068
254 HB2 ARG 32 HB2 ARG 32 -12.555 8.708 -0.449
255 HB3 ARG 32 HB1 ARG 32 -11.919 7.101 -0.098
256 HG2 ARG 32 HG2 ARG 32 -11.114 7.806 2.059
257 HG3 ARG 32 HG1 ARG 32 -11.462 9.498 1.696
258 HD2 ARG 32 HD2 ARG 32 -13.873 8.964 1.547
259 HD3 ARG 32 HD1 ARG 32 -13.518 7.282 1.942
260 HE ARG 32 HE ARG 32 -12.390 8.703 4.035
261 HH11 ARG 32 HH21 ARG 32 -15.468 8.539 2.489
262 HH12 ARG 32 HH22 ARG 32 -16.357 8.928 3.924
263 HH21 ARG 32 HH11 ARG 32 -13.535 9.211 5.918
264 HH22 ARG 32 HH12 ARG 32 -15.263 9.308 5.864
265 H VAL 33 HN VAL 33 -9.015 6.581 -1.381
266 HA VAL 33 HA VAL 33 -10.001 6.818 -4.221
267 HB VAL 33 HB VAL 33 -7.252 5.922 -3.281
268 HG11 VAL 33 HG11 VAL 33 -7.934 4.704 -5.269
269 HG12 VAL 33 HG12 VAL 33 -6.814 5.967 -5.779
270 HG13 VAL 33 HG13 VAL 33 -8.547 6.176 -6.018
271 HG21 VAL 33 HG21 VAL 33 -7.283 8.307 -3.126
272 HG22 VAL 33 HG22 VAL 33 -8.302 8.467 -4.554
273 HG23 VAL 33 HG23 VAL 33 -6.614 7.989 -4.724
274 H GLU 34 HN GLU 34 -10.502 4.918 -5.256
275 HA GLU 34 HA GLU 34 -10.895 2.569 -3.457
276 HB2 GLU 34 HB2 GLU 34 -12.063 2.806 -6.227
277 HB3 GLU 34 HB1 GLU 34 -12.699 1.959 -4.817
278 HG2 GLU 34 HG2 GLU 34 -14.061 3.880 -4.972
279 HG3 GLU 34 HG1 GLU 34 -12.879 4.311 -3.736
280 H PHE 35 HN PHE 35 -10.322 0.480 -4.120
281 HA PHE 35 HA PHE 35 -8.574 0.140 -6.518
282 HB2 PHE 35 HB2 PHE 35 -7.876 -0.411 -3.633
283 HB3 PHE 35 HB1 PHE 35 -7.148 -1.360 -4.925
284 HD1 PHE 35 HD1 PHE 35 -6.299 0.180 -6.992
285 HD2 PHE 35 HD2 PHE 35 -6.656 1.447 -2.906
286 HE1 PHE 35 HE1 PHE 35 -4.613 1.949 -7.398
287 HE2 PHE 35 HE2 PHE 35 -4.961 3.213 -3.308
288 HZ PHE 35 HZ PHE 35 -3.946 3.469 -5.555
289 H THR 36 HN THR 36 -9.044 -1.798 -7.521
290 HA THR 36 HA THR 36 -10.814 -3.733 -6.045
291 HB THR 36 HB THR 36 -11.571 -4.334 -8.440
292 HG1 THR 36 HG1 THR 36 -10.152 -1.929 -8.813
293 HG21 THR 36 HG21 THR 36 -12.239 -1.581 -7.361
294 HG22 THR 36 HG22 THR 36 -12.946 -3.090 -6.782
295 HG23 THR 36 HG23 THR 36 -13.244 -2.554 -8.436
296 H ALA 37 HN ALA 37 -10.462 -5.971 -6.500
297 HA ALA 37 HA ALA 37 -7.853 -6.883 -6.480
298 HB1 ALA 37 HB1 ALA 37 -8.685 -9.051 -7.003
299 HB2 ALA 37 HB2 ALA 37 -10.028 -8.389 -7.937
300 HB3 ALA 37 HB3 ALA 37 -10.009 -8.226 -6.181
301 H THR 38 HN THR 38 -9.493 -5.571 -9.248
302 HA THR 38 HA THR 38 -7.971 -6.924 -11.274
303 HB THR 38 HB THR 38 -9.137 -4.149 -11.531
304 HG1 THR 38 HG1 THR 38 -11.080 -5.252 -12.059
305 HG21 THR 38 HG21 THR 38 -7.855 -4.963 -13.441
306 HG22 THR 38 HG22 THR 38 -9.572 -4.961 -13.846
307 HG23 THR 38 HG23 THR 38 -8.764 -6.475 -13.438
308 H SER 39 HN SER 39 -7.247 -4.215 -9.162
309 HA SER 39 HA SER 39 -4.753 -3.672 -10.764
310 HB2 SER 39 HB2 SER 39 -4.725 -1.483 -9.686
311 HB3 SER 39 HB1 SER 39 -6.269 -1.733 -10.490
312 HG SER 39 HG SER 39 -5.670 -2.041 -7.728
313 H VAL 40 HN VAL 40 -5.461 -5.690 -8.468
314 HA VAL 40 HA VAL 40 -4.075 -5.049 -6.119
315 HB VAL 40 HB VAL 40 -5.394 -7.145 -6.532
316 HG11 VAL 40 HG11 VAL 40 -4.421 -7.698 -8.742
317 HG12 VAL 40 HG12 VAL 40 -4.316 -9.048 -7.616
318 HG13 VAL 40 HG13 VAL 40 -2.887 -8.078 -7.956
319 HG21 VAL 40 HG21 VAL 40 -3.768 -6.900 -4.608
320 HG22 VAL 40 HG22 VAL 40 -2.589 -7.773 -5.585
321 HG23 VAL 40 HG23 VAL 40 -4.088 -8.562 -5.094
322 H SER 41 HN SER 41 -2.793 -5.247 -9.269
323 HA SER 41 HA SER 41 -0.076 -5.996 -8.422
324 HB2 SER 41 HB2 SER 41 -0.861 -6.674 -10.639
325 HB3 SER 41 HB1 SER 41 -1.153 -4.992 -11.073
326 HG SER 41 HG SER 41 0.943 -4.674 -11.285
327 H ASP 42 HN ASP 42 -1.576 -3.034 -9.831
328 HA ASP 42 HA ASP 42 0.765 -1.445 -9.536
329 HB2 ASP 42 HB2 ASP 42 -0.620 0.474 -9.889
330 HB3 ASP 42 HB1 ASP 42 -1.307 -0.823 -10.863
331 H LEU 43 HN LEU 43 -1.579 -2.515 -7.174
332 HA LEU 43 HA LEU 43 -0.873 -0.490 -5.205
333 HB2 LEU 43 HB2 LEU 43 -3.026 -1.768 -5.125
334 HB3 LEU 43 HB1 LEU 43 -2.099 -3.227 -4.788
335 HG LEU 43 HG LEU 43 -1.100 -1.776 -2.794
336 HD11 LEU 43 HD11 LEU 43 -2.514 0.228 -3.723
337 HD12 LEU 43 HD12 LEU 43 -2.434 -0.041 -1.984
338 HD13 LEU 43 HD13 LEU 43 -3.847 -0.564 -2.893
339 HD21 LEU 43 HD21 LEU 43 -2.939 -2.610 -1.337
340 HD22 LEU 43 HD22 LEU 43 -2.382 -3.832 -2.479
341 HD23 LEU 43 HD23 LEU 43 -3.888 -2.970 -2.778
342 H LYS 44 HN LYS 44 0.131 -3.857 -5.885
343 HA LYS 44 HA LYS 44 1.864 -4.241 -3.690
344 HB2 LYS 44 HB2 LYS 44 1.817 -5.227 -6.526
345 HB3 LYS 44 HB1 LYS 44 3.292 -5.502 -5.600
346 HG2 LYS 44 HG2 LYS 44 1.965 -6.603 -3.826
347 HG3 LYS 44 HG1 LYS 44 0.501 -6.354 -4.776
348 HD2 LYS 44 HD2 LYS 44 1.472 -7.692 -6.617
349 HD3 LYS 44 HD1 LYS 44 2.923 -7.956 -5.652
350 HE2 LYS 44 HE2 LYS 44 0.124 -8.959 -5.119
351 HE3 LYS 44 HE1 LYS 44 1.599 -9.903 -5.318
352 HZ1 LYS 44 HZ1 LYS 44 2.394 -8.576 -3.281
353 HZ2 LYS 44 HZ2 LYS 44 1.313 -9.865 -3.045
354 HZ3 LYS 44 HZ3 LYS 44 0.747 -8.264 -3.024
355 H LYS 45 HN LYS 45 2.267 -2.255 -6.563
356 HA LYS 45 HA LYS 45 5.098 -1.755 -6.179
357 HB2 LYS 45 HB2 LYS 45 2.990 -0.162 -7.671
358 HB3 LYS 45 HB1 LYS 45 4.730 0.080 -7.813
359 HG2 LYS 45 HG2 LYS 45 3.576 -2.663 -8.311
360 HG3 LYS 45 HG1 LYS 45 3.463 -1.436 -9.571
361 HD2 LYS 45 HD2 LYS 45 5.903 -1.123 -9.507
362 HD3 LYS 45 HD1 LYS 45 6.032 -2.333 -8.231
363 HE2 LYS 45 HE2 LYS 45 4.767 -2.940 -10.909
364 HE3 LYS 45 HE1 LYS 45 6.491 -3.161 -10.606
365 HZ1 LYS 45 HZ1 LYS 45 4.592 -4.301 -8.692
366 HZ2 LYS 45 HZ2 LYS 45 6.121 -4.866 -9.169
367 HZ3 LYS 45 HZ3 LYS 45 4.778 -5.082 -10.186
368 H TYR 46 HN TYR 46 2.134 0.046 -5.372
369 HA TYR 46 HA TYR 46 3.345 2.341 -4.247
370 HB2 TYR 46 HB2 TYR 46 0.976 2.297 -4.672
371 HB3 TYR 46 HB1 TYR 46 0.759 0.906 -3.619
372 HD1 TYR 46 HD1 TYR 46 2.458 4.251 -3.271
373 HD2 TYR 46 HD2 TYR 46 -0.388 1.461 -1.660
374 HE1 TYR 46 HE1 TYR 46 2.040 5.775 -1.366
375 HE2 TYR 46 HE2 TYR 46 -0.816 2.996 0.242
376 HH TYR 46 HH TYR 46 1.173 5.797 0.817
377 H ILE 47 HN ILE 47 2.909 -0.892 -2.944
378 HA ILE 47 HA ILE 47 3.610 -0.118 -0.213
379 HB ILE 47 HB ILE 47 3.367 -2.815 -1.573
380 HG12 ILE 47 HG12 ILE 47 1.666 -1.546 0.591
381 HG13 ILE 47 HG11 ILE 47 1.289 -1.410 -1.126
382 HG21 ILE 47 HG21 ILE 47 4.949 -3.156 0.180
383 HG22 ILE 47 HG22 ILE 47 3.396 -3.634 0.867
384 HG23 ILE 47 HG23 ILE 47 4.091 -2.064 1.267
385 HD11 ILE 47 HD11 ILE 47 0.124 -3.314 0.104
386 HD12 ILE 47 HD12 ILE 47 1.707 -4.073 0.246
387 HD13 ILE 47 HD13 ILE 47 1.012 -3.777 -1.347
388 H ALA 48 HN ALA 48 5.280 -1.373 -3.050
389 HA ALA 48 HA ALA 48 7.754 -1.949 -1.655
390 HB1 ALA 48 HB1 ALA 48 8.714 -2.146 -3.918
391 HB2 ALA 48 HB2 ALA 48 7.246 -1.447 -4.602
392 HB3 ALA 48 HB3 ALA 48 7.185 -3.019 -3.805
393 H GLU 49 HN GLU 49 6.565 0.812 -3.570
394 HA GLU 49 HA GLU 49 9.012 2.282 -3.522
395 HB2 GLU 49 HB2 GLU 49 6.151 3.246 -3.754
396 HB3 GLU 49 HB1 GLU 49 7.565 4.264 -4.016
397 HG2 GLU 49 HG2 GLU 49 7.073 1.684 -5.521
398 HG3 GLU 49 HG1 GLU 49 6.582 3.267 -6.124
399 H LEU 50 HN LEU 50 6.325 2.124 -1.181
400 HA LEU 50 HA LEU 50 7.367 4.331 0.397
401 HB2 LEU 50 HB2 LEU 50 5.416 2.115 1.122
402 HB3 LEU 50 HB1 LEU 50 5.944 3.327 2.280
403 HG LEU 50 HG LEU 50 4.582 3.933 -0.364
404 HD11 LEU 50 HD11 LEU 50 3.577 3.682 2.475
405 HD12 LEU 50 HD12 LEU 50 2.876 3.040 0.991
406 HD13 LEU 50 HD13 LEU 50 2.769 4.761 1.337
407 HD21 LEU 50 HD21 LEU 50 5.837 5.631 1.769
408 HD22 LEU 50 HD22 LEU 50 4.328 6.213 1.068
409 HD23 LEU 50 HD23 LEU 50 5.719 5.915 0.033
410 H GLU 51 HN GLU 51 8.001 0.868 0.310
411 HA GLU 51 HA GLU 51 9.398 0.741 2.815
412 HB2 GLU 51 HB2 GLU 51 9.632 -0.947 0.305
413 HB3 GLU 51 HB1 GLU 51 10.527 -1.288 1.784
414 HG2 GLU 51 HG2 GLU 51 8.506 -1.615 3.027
415 HG3 GLU 51 HG1 GLU 51 7.520 -0.996 1.702
416 H VAL 52 HN VAL 52 10.349 1.851 -0.397
417 HA VAL 52 HA VAL 52 13.199 1.927 0.305
418 HB VAL 52 HB VAL 52 11.649 3.011 -2.068
419 HG11 VAL 52 HG11 VAL 52 14.005 3.217 -3.058
420 HG12 VAL 52 HG12 VAL 52 14.600 3.079 -1.404
421 HG13 VAL 52 HG13 VAL 52 13.559 4.428 -1.857
422 HG21 VAL 52 HG21 VAL 52 11.737 0.627 -2.164
423 HG22 VAL 52 HG22 VAL 52 13.406 0.591 -1.597
424 HG23 VAL 52 HG23 VAL 52 13.037 1.182 -3.216
425 H GLN 53 HN GLN 53 10.461 4.049 0.618
426 HA GLN 53 HA GLN 53 12.192 6.440 0.925
427 HB2 GLN 53 HB2 GLN 53 9.190 6.022 1.003
428 HB3 GLN 53 HB1 GLN 53 9.951 7.564 1.402
429 HG2 GLN 53 HG2 GLN 53 10.461 6.097 -1.197
430 HG3 GLN 53 HG1 GLN 53 9.211 7.328 -1.015
431 HE21 GLN 53 HE21 GLN 53 11.150 7.966 -2.836
432 HE22 GLN 53 HE22 GLN 53 12.229 9.117 -2.208
433 H THR 54 HN THR 54 11.092 3.889 2.810
434 HA THR 54 HA THR 54 11.485 5.466 5.331
435 HB THR 54 HB THR 54 9.240 3.851 4.438
436 HG1 THR 54 HG1 THR 54 8.900 5.770 5.399
437 HG21 THR 54 HG21 THR 54 10.260 1.981 5.641
438 HG22 THR 54 HG22 THR 54 8.891 2.596 6.568
439 HG23 THR 54 HG23 THR 54 10.536 3.005 7.052
440 H GLY 55 HN GLY 55 11.941 2.383 3.638
441 HA2 GLY 55 HA2 GLY 55 13.423 1.135 5.779
442 HA3 GLY 55 HA1 GLY 55 13.405 0.601 4.095
443 H MET 56 HN MET 56 15.847 0.440 5.279
444 HA MET 56 HA MET 56 17.339 2.918 4.485
445 HB2 MET 56 HB2 MET 56 18.003 0.625 6.345
446 HB3 MET 56 HB1 MET 56 19.216 1.781 5.795
447 HG2 MET 56 HG2 MET 56 16.630 2.605 7.139
448 HG3 MET 56 HG1 MET 56 18.138 2.354 8.017
449 HE1 MET 56 HE1 MET 56 17.809 4.789 8.919
450 HE2 MET 56 HE2 MET 56 16.373 5.015 7.925
451 HE3 MET 56 HE3 MET 56 17.652 6.227 7.900
452 H THR 57 HN THR 57 16.312 0.870 2.609
453 HA THR 57 HA THR 57 18.674 -0.673 1.773
454 HB THR 57 HB THR 57 16.339 -1.548 1.485
455 HG1 THR 57 HG1 THR 57 16.840 -1.614 -1.054
456 HG21 THR 57 HG21 THR 57 16.125 0.527 -0.716
457 HG22 THR 57 HG22 THR 57 15.400 0.734 0.880
458 HG23 THR 57 HG23 THR 57 14.874 -0.588 -0.162
459 H GLN 58 HN GLN 58 17.099 2.341 0.974
460 HA GLN 58 HA GLN 58 17.962 2.880 -1.597
461 HB2 GLN 58 HB2 GLN 58 16.655 4.431 -0.077
462 HB3 GLN 58 HB1 GLN 58 18.190 4.884 0.664
463 HG2 GLN 58 HG2 GLN 58 17.729 6.516 -1.044
464 HG3 GLN 58 HG1 GLN 58 19.020 5.479 -1.656
465 HE21 GLN 58 HE21 GLN 58 18.663 4.920 -3.801
466 HE22 GLN 58 HE22 GLN 58 17.141 4.645 -4.502
467 H ARG 59 HN ARG 59 19.844 4.298 1.080
468 HA ARG 59 HA ARG 59 22.161 4.689 1.212
469 HB2 ARG 59 HB2 ARG 59 21.915 1.835 0.254
470 HB3 ARG 59 HB1 ARG 59 23.494 2.557 0.572
471 HG2 ARG 59 HG2 ARG 59 22.773 3.105 2.874
472 HG3 ARG 59 HG1 ARG 59 21.206 2.360 2.555
473 HD2 ARG 59 HD2 ARG 59 23.897 0.962 2.486
474 HD3 ARG 59 HD1 ARG 59 22.652 0.765 3.720
475 HE ARG 59 HE ARG 59 21.348 0.120 1.363
476 HH11 ARG 59 HH21 ARG 59 24.253 -0.834 2.954
477 HH12 ARG 59 HH22 ARG 59 24.217 -2.453 2.339
478 HH21 ARG 59 HH11 ARG 59 21.283 -1.989 0.550
479 HH22 ARG 59 HH12 ARG 59 22.535 -3.106 0.977
480 H ARG 60 HN ARG 60 24.260 3.806 -0.467
481 HA ARG 60 HA ARG 60 23.515 4.758 -3.199
482 HB2 ARG 60 HB2 ARG 60 24.378 6.670 -1.743
483 HB3 ARG 60 HB1 ARG 60 25.925 5.821 -1.707
484 HG2 ARG 60 HG2 ARG 60 26.012 5.868 -4.172
485 HG3 ARG 60 HG1 ARG 60 24.469 6.720 -4.211
486 HD2 ARG 60 HD2 ARG 60 26.987 7.740 -2.863
487 HD3 ARG 60 HD1 ARG 60 26.381 8.286 -4.426
488 HE ARG 60 HE ARG 60 24.238 8.676 -2.713
489 HH11 ARG 60 HH21 ARG 60 27.572 9.548 -2.795
490 HH12 ARG 60 HH22 ARG 60 27.343 11.030 -1.929
491 HH21 ARG 60 HH11 ARG 60 23.919 10.606 -1.581
492 HH22 ARG 60 HH12 ARG 60 25.275 11.629 -1.241
493 H ARG 61 HN ARG 61 23.869 2.198 -3.048
494 HA ARG 61 HA ARG 61 26.582 1.239 -2.943
495 HB2 ARG 61 HB2 ARG 61 25.650 -0.797 -4.027
496 HB3 ARG 61 HB1 ARG 61 24.681 -0.280 -2.646
497 HG2 ARG 61 HG2 ARG 61 23.180 0.950 -4.246
498 HG3 ARG 61 HG1 ARG 61 24.084 0.224 -5.574
499 HD2 ARG 61 HD2 ARG 61 23.518 -2.030 -4.713
500 HD3 ARG 61 HD1 ARG 61 22.580 -1.288 -3.418
501 HE ARG 61 HE ARG 61 21.494 -0.204 -5.724
502 HH11 ARG 61 HH21 ARG 61 22.180 -3.363 -4.526
503 HH12 ARG 61 HH22 ARG 61 20.862 -4.112 -5.363
504 HH21 ARG 61 HH11 ARG 61 19.767 -1.165 -6.825
505 HH22 ARG 61 HH12 ARG 61 19.496 -2.868 -6.664
506 H GLY 62 HN GLY 62 26.738 -0.259 -5.375
507 HA2 GLY 62 HA2 GLY 62 28.014 1.647 -7.081
508 HA3 GLY 62 HA1 GLY 62 27.622 -0.012 -7.534
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 7.962 11.344 6.593
2 H2 MET 1 HT2 MET 1 7.633 11.047 8.234
3 H3 MET 1 HT3 MET 1 7.032 9.998 7.041
4 HA MET 1 HA MET 1 9.535 9.710 6.441
5 HB2 MET 1 HB2 MET 1 9.538 10.612 9.338
6 HB3 MET 1 HB1 MET 1 10.889 9.792 8.553
7 HG2 MET 1 HG2 MET 1 11.342 12.147 8.418
8 HG3 MET 1 HG1 MET 1 10.849 11.633 6.804
9 HE1 MET 1 HE1 MET 1 10.796 14.712 7.655
10 HE2 MET 1 HE2 MET 1 9.322 15.100 6.770
11 HE3 MET 1 HE3 MET 1 10.466 13.941 6.097
12 H VAL 2 HN VAL 2 8.739 8.967 9.809
13 HA VAL 2 HA VAL 2 8.932 6.132 9.351
14 HB VAL 2 HB VAL 2 7.794 6.078 11.700
15 HG11 VAL 2 HG11 VAL 2 10.163 5.762 11.541
16 HG12 VAL 2 HG12 VAL 2 9.920 7.022 12.750
17 HG13 VAL 2 HG13 VAL 2 10.428 7.454 11.117
18 HG21 VAL 2 HG21 VAL 2 7.649 8.151 12.880
19 HG22 VAL 2 HG22 VAL 2 6.852 8.439 11.335
20 HG23 VAL 2 HG23 VAL 2 8.495 9.022 11.602
21 H ARG 3 HN ARG 3 7.399 5.799 7.562
22 HA ARG 3 HA ARG 3 4.576 6.399 7.972
23 HB2 ARG 3 HB2 ARG 3 6.224 5.006 5.888
24 HB3 ARG 3 HB1 ARG 3 4.501 4.636 5.937
25 HG2 ARG 3 HG2 ARG 3 4.897 6.485 4.400
26 HG3 ARG 3 HG1 ARG 3 4.001 7.070 5.795
27 HD2 ARG 3 HD2 ARG 3 6.128 7.859 6.802
28 HD3 ARG 3 HD1 ARG 3 6.996 7.344 5.360
29 HE ARG 3 HE ARG 3 5.555 9.811 5.734
30 HH11 ARG 3 HH21 ARG 3 6.073 7.343 3.370
31 HH12 ARG 3 HH22 ARG 3 5.503 8.318 2.058
32 HH21 ARG 3 HH11 ARG 3 4.832 11.077 4.037
33 HH22 ARG 3 HH12 ARG 3 4.807 10.425 2.432
34 H GLN 4 HN GLN 4 6.322 4.494 9.752
35 HA GLN 4 HA GLN 4 5.521 1.856 9.699
36 HB2 GLN 4 HB2 GLN 4 5.568 3.616 12.164
37 HB3 GLN 4 HB1 GLN 4 5.672 1.855 12.152
38 HG2 GLN 4 HG2 GLN 4 7.636 3.678 10.736
39 HG3 GLN 4 HG1 GLN 4 7.907 2.983 12.334
40 HE21 GLN 4 HE21 GLN 4 8.361 0.691 12.473
41 HE22 GLN 4 HE22 GLN 4 8.675 -0.251 11.096
42 H GLU 5 HN GLU 5 3.482 4.616 10.657
43 HA GLU 5 HA GLU 5 1.299 2.934 11.639
44 HB2 GLU 5 HB2 GLU 5 1.527 5.856 10.874
45 HB3 GLU 5 HB1 GLU 5 0.008 5.139 11.416
46 HG2 GLU 5 HG2 GLU 5 1.150 6.124 13.331
47 HG3 GLU 5 HG1 GLU 5 1.163 4.367 13.494
48 H GLU 6 HN GLU 6 1.008 5.288 8.973
49 HA GLU 6 HA GLU 6 -1.152 4.079 7.704
50 HB2 GLU 6 HB2 GLU 6 -0.598 5.311 5.724
51 HB3 GLU 6 HB1 GLU 6 -0.088 6.293 7.094
52 HG2 GLU 6 HG2 GLU 6 1.773 6.417 5.679
53 HG3 GLU 6 HG1 GLU 6 2.230 5.109 6.765
54 H LEU 7 HN LEU 7 2.270 3.215 7.375
55 HA LEU 7 HA LEU 7 2.129 1.435 5.196
56 HB2 LEU 7 HB2 LEU 7 4.273 1.879 6.171
57 HB3 LEU 7 HB1 LEU 7 3.734 1.357 7.761
58 HG LEU 7 HG LEU 7 3.623 -0.958 7.039
59 HD11 LEU 7 HD11 LEU 7 2.824 -0.758 4.785
60 HD12 LEU 7 HD12 LEU 7 4.419 -1.500 4.680
61 HD13 LEU 7 HD13 LEU 7 4.217 0.211 4.313
62 HD21 LEU 7 HD21 LEU 7 6.157 0.424 6.114
63 HD22 LEU 7 HD22 LEU 7 6.010 -1.311 6.393
64 HD23 LEU 7 HD23 LEU 7 5.823 -0.182 7.736
65 H ALA 8 HN ALA 8 1.663 0.666 8.665
66 HA ALA 8 HA ALA 8 0.934 -2.024 8.424
67 HB1 ALA 8 HB1 ALA 8 -0.027 0.116 10.330
68 HB2 ALA 8 HB2 ALA 8 1.198 -1.120 10.616
69 HB3 ALA 8 HB3 ALA 8 -0.501 -1.575 10.492
70 H ALA 9 HN ALA 9 -1.067 0.855 7.891
71 HA ALA 9 HA ALA 9 -3.558 -0.563 7.627
72 HB1 ALA 9 HB1 ALA 9 -2.729 2.089 6.410
73 HB2 ALA 9 HB2 ALA 9 -3.427 1.880 8.015
74 HB3 ALA 9 HB3 ALA 9 -4.383 1.502 6.583
75 H ALA 10 HN ALA 10 -1.050 0.372 5.286
76 HA ALA 10 HA ALA 10 -2.500 -0.386 2.940
77 HB1 ALA 10 HB1 ALA 10 -0.423 -0.248 1.790
78 HB2 ALA 10 HB2 ALA 10 0.496 -0.620 3.248
79 HB3 ALA 10 HB3 ALA 10 -0.308 0.941 3.088
80 H ARG 11 HN ARG 11 -0.462 -2.249 5.168
81 HA ARG 11 HA ARG 11 -0.352 -4.634 3.584
82 HB2 ARG 11 HB2 ARG 11 -0.122 -4.137 6.557
83 HB3 ARG 11 HB1 ARG 11 0.030 -5.751 5.861
84 HG2 ARG 11 HG2 ARG 11 1.844 -4.899 4.375
85 HG3 ARG 11 HG1 ARG 11 1.737 -3.338 5.188
86 HD2 ARG 11 HD2 ARG 11 2.218 -5.908 6.702
87 HD3 ARG 11 HD1 ARG 11 3.540 -4.939 6.051
88 HE ARG 11 HE ARG 11 2.034 -3.114 7.492
89 HH11 ARG 11 HH21 ARG 11 3.492 -6.182 8.086
90 HH12 ARG 11 HH22 ARG 11 3.781 -5.869 9.765
91 HH21 ARG 11 HH11 ARG 11 2.403 -2.688 9.680
92 HH22 ARG 11 HH12 ARG 11 3.165 -3.891 10.667
93 H ALA 12 HN ALA 12 -2.724 -3.371 5.870
94 HA ALA 12 HA ALA 12 -4.291 -5.769 6.093
95 HB1 ALA 12 HB1 ALA 12 -6.107 -4.191 6.832
96 HB2 ALA 12 HB2 ALA 12 -5.035 -2.849 6.428
97 HB3 ALA 12 HB3 ALA 12 -4.589 -3.982 7.703
98 H ALA 13 HN ALA 13 -4.172 -3.179 3.716
99 HA ALA 13 HA ALA 13 -6.678 -3.805 2.439
100 HB1 ALA 13 HB1 ALA 13 -4.336 -2.633 0.949
101 HB2 ALA 13 HB2 ALA 13 -5.145 -1.695 2.204
102 HB3 ALA 13 HB3 ALA 13 -6.056 -2.253 0.800
103 H LEU 14 HN LEU 14 -3.349 -4.953 1.978
104 HA LEU 14 HA LEU 14 -3.867 -6.464 -0.410
105 HB2 LEU 14 HB2 LEU 14 -1.582 -6.029 0.107
106 HB3 LEU 14 HB1 LEU 14 -1.746 -6.641 1.745
107 HG LEU 14 HG LEU 14 -2.044 -8.938 0.864
108 HD11 LEU 14 HD11 LEU 14 -3.092 -8.485 -1.273
109 HD12 LEU 14 HD12 LEU 14 -1.558 -9.289 -1.588
110 HD13 LEU 14 HD13 LEU 14 -1.701 -7.546 -1.807
111 HD21 LEU 14 HD21 LEU 14 0.223 -8.108 1.369
112 HD22 LEU 14 HD22 LEU 14 0.367 -7.501 -0.281
113 HD23 LEU 14 HD23 LEU 14 0.246 -9.236 0.013
114 H HIS 15 HN HIS 15 -4.209 -7.203 3.037
115 HA HIS 15 HA HIS 15 -4.819 -10.006 2.590
116 HB2 HIS 15 HB2 HIS 15 -3.894 -9.092 4.737
117 HB3 HIS 15 HB1 HIS 15 -5.451 -8.309 5.011
118 HD1 HIS 15 HD1 HIS 15 -7.309 -9.727 5.965
119 HD2 HIS 15 HD2 HIS 15 -4.087 -12.026 4.654
120 HE1 HIS 15 HE1 HIS 15 -7.774 -12.103 6.709
121 H ASP 16 HN ASP 16 -6.779 -7.097 3.149
122 HA ASP 16 HA ASP 16 -9.215 -8.640 3.189
123 HB2 ASP 16 HB2 ASP 16 -8.908 -6.364 4.246
124 HB3 ASP 16 HB1 ASP 16 -8.959 -5.680 2.621
125 H LEU 17 HN LEU 17 -7.521 -6.827 0.633
126 HA LEU 17 HA LEU 17 -9.670 -7.082 -1.265
127 HB2 LEU 17 HB2 LEU 17 -6.710 -6.557 -1.635
128 HB3 LEU 17 HB1 LEU 17 -7.802 -6.719 -3.002
129 HG LEU 17 HG LEU 17 -8.153 -4.718 -0.751
130 HD11 LEU 17 HD11 LEU 17 -6.235 -4.028 -1.976
131 HD12 LEU 17 HD12 LEU 17 -7.563 -3.100 -2.665
132 HD13 LEU 17 HD13 LEU 17 -6.943 -4.514 -3.515
133 HD21 LEU 17 HD21 LEU 17 -9.739 -5.430 -3.208
134 HD22 LEU 17 HD22 LEU 17 -9.657 -3.732 -2.748
135 HD23 LEU 17 HD23 LEU 17 -10.310 -4.913 -1.621
136 H MET 18 HN MET 18 -7.054 -9.278 -0.354
137 HA MET 18 HA MET 18 -7.869 -11.118 -2.569
138 HB2 MET 18 HB2 MET 18 -5.412 -10.420 -2.088
139 HB3 MET 18 HB1 MET 18 -5.520 -11.544 -0.730
140 HG2 MET 18 HG2 MET 18 -4.626 -12.770 -2.602
141 HG3 MET 18 HG1 MET 18 -6.290 -13.308 -2.387
142 HE1 MET 18 HE1 MET 18 -3.991 -13.044 -4.950
143 HE2 MET 18 HE2 MET 18 -5.160 -13.108 -6.267
144 HE3 MET 18 HE3 MET 18 -5.337 -14.190 -4.888
145 H THR 19 HN THR 19 -8.714 -10.602 0.599
146 HA THR 19 HA THR 19 -8.937 -13.509 1.250
147 HB THR 19 HB THR 19 -9.405 -11.013 2.903
148 HG1 THR 19 HG1 THR 19 -7.665 -13.086 3.558
149 HG21 THR 19 HG21 THR 19 -9.647 -12.747 4.772
150 HG22 THR 19 HG22 THR 19 -9.917 -13.928 3.489
151 HG23 THR 19 HG23 THR 19 -11.022 -12.567 3.681
152 H GLY 20 HN GLY 20 -10.871 -10.779 0.224
153 HA2 GLY 20 HA2 GLY 20 -13.072 -12.307 -0.593
154 HA3 GLY 20 HA1 GLY 20 -13.419 -11.846 1.073
155 H LYS 21 HN LYS 21 -13.360 -9.480 1.560
156 HA LYS 21 HA LYS 21 -15.006 -7.946 -0.076
157 HB2 LYS 21 HB2 LYS 21 -12.760 -6.668 1.486
158 HB3 LYS 21 HB1 LYS 21 -14.394 -6.062 1.220
159 HG2 LYS 21 HG2 LYS 21 -15.203 -8.133 2.500
160 HG3 LYS 21 HG1 LYS 21 -13.523 -8.349 2.993
161 HD2 LYS 21 HD2 LYS 21 -13.512 -6.070 3.949
162 HD3 LYS 21 HD1 LYS 21 -15.198 -5.866 3.472
163 HE2 LYS 21 HE2 LYS 21 -15.896 -7.665 4.935
164 HE3 LYS 21 HE1 LYS 21 -14.220 -8.071 5.305
165 HZ1 LYS 21 HZ1 LYS 21 -14.038 -5.707 6.144
166 HZ2 LYS 21 HZ2 LYS 21 -14.955 -6.778 7.092
167 HZ3 LYS 21 HZ3 LYS 21 -15.731 -5.651 6.086
168 H ARG 22 HN ARG 22 -14.613 -7.754 -2.245
169 HA ARG 22 HA ARG 22 -11.969 -7.497 -3.365
170 HB2 ARG 22 HB2 ARG 22 -14.642 -6.831 -4.630
171 HB3 ARG 22 HB1 ARG 22 -13.126 -7.126 -5.484
172 HG2 ARG 22 HG2 ARG 22 -13.061 -9.423 -4.617
173 HG3 ARG 22 HG1 ARG 22 -14.550 -9.137 -3.715
174 HD2 ARG 22 HD2 ARG 22 -14.985 -10.314 -5.857
175 HD3 ARG 22 HD1 ARG 22 -15.766 -8.734 -5.808
176 HE ARG 22 HE ARG 22 -13.319 -8.223 -7.002
177 HH11 ARG 22 HH21 ARG 22 -15.937 -10.412 -7.497
178 HH12 ARG 22 HH22 ARG 22 -15.713 -10.501 -9.212
179 HH21 ARG 22 HH11 ARG 22 -13.012 -8.327 -9.239
180 HH22 ARG 22 HH12 ARG 22 -14.056 -9.321 -10.198
181 H VAL 23 HN VAL 23 -14.099 -5.240 -1.904
182 HA VAL 23 HA VAL 23 -12.774 -2.926 -3.271
183 HB VAL 23 HB VAL 23 -15.240 -2.982 -1.511
184 HG11 VAL 23 HG11 VAL 23 -14.013 -0.837 -3.269
185 HG12 VAL 23 HG12 VAL 23 -14.123 -0.809 -1.510
186 HG13 VAL 23 HG13 VAL 23 -15.588 -0.711 -2.486
187 HG21 VAL 23 HG21 VAL 23 -14.893 -2.943 -4.523
188 HG22 VAL 23 HG22 VAL 23 -16.417 -2.598 -3.706
189 HG23 VAL 23 HG23 VAL 23 -15.681 -4.195 -3.564
190 H ALA 24 HN ALA 24 -11.787 -1.301 -2.052
191 HA ALA 24 HA ALA 24 -11.638 -1.520 0.886
192 HB1 ALA 24 HB1 ALA 24 -9.119 -1.473 0.833
193 HB2 ALA 24 HB2 ALA 24 -9.195 -1.798 -0.897
194 HB3 ALA 24 HB3 ALA 24 -9.801 -2.990 0.252
195 H THR 25 HN THR 25 -10.834 0.491 1.820
196 HA THR 25 HA THR 25 -10.437 2.739 -0.128
197 HB THR 25 HB THR 25 -11.895 4.082 1.593
198 HG1 THR 25 HG1 THR 25 -13.553 2.163 2.108
199 HG21 THR 25 HG21 THR 25 -14.013 3.173 0.409
200 HG22 THR 25 HG22 THR 25 -12.897 2.135 -0.478
201 HG23 THR 25 HG23 THR 25 -12.747 3.890 -0.585
202 H VAL 26 HN VAL 26 -9.036 4.347 0.613
203 HA VAL 26 HA VAL 26 -8.107 4.288 3.430
204 HB VAL 26 HB VAL 26 -5.698 4.479 2.582
205 HG11 VAL 26 HG11 VAL 26 -7.083 1.832 2.079
206 HG12 VAL 26 HG12 VAL 26 -6.678 2.449 3.679
207 HG13 VAL 26 HG13 VAL 26 -5.396 2.076 2.528
208 HG21 VAL 26 HG21 VAL 26 -6.328 4.882 0.209
209 HG22 VAL 26 HG22 VAL 26 -6.919 3.221 0.118
210 HG23 VAL 26 HG23 VAL 26 -5.209 3.535 0.407
211 H GLN 27 HN GLN 27 -6.438 6.239 3.633
212 HA GLN 27 HA GLN 27 -7.710 8.563 2.231
213 HB2 GLN 27 HB2 GLN 27 -7.798 8.444 4.752
214 HB3 GLN 27 HB1 GLN 27 -6.038 8.562 4.762
215 HG2 GLN 27 HG2 GLN 27 -6.127 10.720 3.642
216 HG3 GLN 27 HG1 GLN 27 -7.878 10.593 3.470
217 HE21 GLN 27 HE21 GLN 27 -9.097 10.346 5.656
218 HE22 GLN 27 HE22 GLN 27 -8.492 11.225 6.976
219 H LYS 28 HN LYS 28 -6.506 9.572 0.736
220 HA LYS 28 HA LYS 28 -3.518 9.540 0.984
221 HB2 LYS 28 HB2 LYS 28 -5.024 9.111 -1.623
222 HB3 LYS 28 HB1 LYS 28 -3.275 9.162 -1.411
223 HG2 LYS 28 HG2 LYS 28 -3.586 7.218 0.247
224 HG3 LYS 28 HG1 LYS 28 -5.209 7.064 -0.426
225 HD2 LYS 28 HD2 LYS 28 -4.223 6.840 -2.697
226 HD3 LYS 28 HD1 LYS 28 -2.611 6.917 -1.985
227 HE2 LYS 28 HE2 LYS 28 -4.720 4.799 -1.497
228 HE3 LYS 28 HE1 LYS 28 -3.168 4.585 -2.304
229 HZ1 LYS 28 HZ1 LYS 28 -3.721 5.036 0.553
230 HZ2 LYS 28 HZ2 LYS 28 -2.211 5.460 -0.102
231 HZ3 LYS 28 HZ3 LYS 28 -2.750 3.850 -0.173
232 H ASP 29 HN ASP 29 -3.059 11.650 1.322
233 HA ASP 29 HA ASP 29 -3.098 13.988 1.077
234 HB2 ASP 29 HB2 ASP 29 -2.304 13.222 -1.204
235 HB3 ASP 29 HB1 ASP 29 -3.974 13.366 -1.754
236 H GLY 30 HN GLY 30 -5.288 13.384 2.416
237 HA2 GLY 30 HA2 GLY 30 -7.528 13.939 2.839
238 HA3 GLY 30 HA1 GLY 30 -7.167 15.383 1.894
239 H ARG 31 HN ARG 31 -6.644 12.667 -0.053
240 HA ARG 31 HA ARG 31 -9.364 12.973 -1.286
241 HB2 ARG 31 HB2 ARG 31 -7.262 13.626 -2.607
242 HB3 ARG 31 HB1 ARG 31 -6.871 11.909 -2.627
243 HG2 ARG 31 HG2 ARG 31 -8.067 12.072 -4.617
244 HG3 ARG 31 HG1 ARG 31 -9.375 11.673 -3.506
245 HD2 ARG 31 HD2 ARG 31 -10.166 13.528 -4.780
246 HD3 ARG 31 HD1 ARG 31 -9.697 14.208 -3.223
247 HE ARG 31 HE ARG 31 -7.408 14.454 -4.761
248 HH11 ARG 31 HH21 ARG 31 -10.734 15.310 -5.071
249 HH12 ARG 31 HH22 ARG 31 -10.420 16.714 -6.035
250 HH21 ARG 31 HH11 ARG 31 -6.980 16.283 -6.019
251 HH22 ARG 31 HH12 ARG 31 -8.295 17.264 -6.572
252 H ARG 32 HN ARG 32 -10.653 11.204 -1.321
253 HA ARG 32 HA ARG 32 -9.571 8.626 -0.313
254 HB2 ARG 32 HB2 ARG 32 -12.290 9.868 -0.590
255 HB3 ARG 32 HB1 ARG 32 -12.201 8.108 -0.644
256 HG2 ARG 32 HG2 ARG 32 -11.260 7.973 1.527
257 HG3 ARG 32 HG1 ARG 32 -10.853 9.691 1.550
258 HD2 ARG 32 HD2 ARG 32 -13.216 10.291 1.626
259 HD3 ARG 32 HD1 ARG 32 -13.680 8.596 1.472
260 HE ARG 32 HE ARG 32 -12.075 8.644 3.732
261 HH11 ARG 32 HH21 ARG 32 -14.854 10.337 2.595
262 HH12 ARG 32 HH22 ARG 32 -15.503 10.607 4.178
263 HH21 ARG 32 HH11 ARG 32 -12.906 8.986 5.806
264 HH22 ARG 32 HH12 ARG 32 -14.400 9.841 5.996
265 H VAL 33 HN VAL 33 -9.289 6.879 -1.655
266 HA VAL 33 HA VAL 33 -10.457 6.939 -4.410
267 HB VAL 33 HB VAL 33 -7.571 6.247 -3.755
268 HG11 VAL 33 HG11 VAL 33 -9.168 6.261 -6.336
269 HG12 VAL 33 HG12 VAL 33 -8.428 4.863 -5.560
270 HG13 VAL 33 HG13 VAL 33 -7.412 6.117 -6.269
271 HG21 VAL 33 HG21 VAL 33 -7.713 8.625 -3.738
272 HG22 VAL 33 HG22 VAL 33 -8.889 8.646 -5.051
273 HG23 VAL 33 HG23 VAL 33 -7.206 8.233 -5.379
274 H GLU 34 HN GLU 34 -11.064 4.950 -5.158
275 HA GLU 34 HA GLU 34 -11.030 2.745 -3.150
276 HB2 GLU 34 HB2 GLU 34 -12.558 2.559 -5.737
277 HB3 GLU 34 HB1 GLU 34 -12.992 1.973 -4.132
278 HG2 GLU 34 HG2 GLU 34 -14.428 3.813 -4.446
279 HG3 GLU 34 HG1 GLU 34 -13.117 4.489 -3.482
280 H PHE 35 HN PHE 35 -10.556 0.559 -3.863
281 HA PHE 35 HA PHE 35 -8.946 0.267 -6.367
282 HB2 PHE 35 HB2 PHE 35 -8.055 -0.274 -3.533
283 HB3 PHE 35 HB1 PHE 35 -7.363 -1.169 -4.882
284 HD1 PHE 35 HD2 PHE 35 -6.697 0.408 -6.963
285 HD2 PHE 35 HD1 PHE 35 -6.920 1.666 -2.866
286 HE1 PHE 35 HE2 PHE 35 -5.148 2.276 -7.458
287 HE2 PHE 35 HE1 PHE 35 -5.361 3.533 -3.359
288 HZ PHE 35 HZ PHE 35 -4.481 3.842 -5.655
289 H THR 36 HN THR 36 -9.384 -1.662 -7.355
290 HA THR 36 HA THR 36 -10.980 -3.698 -5.822
291 HB THR 36 HB THR 36 -11.852 -4.292 -8.175
292 HG1 THR 36 HG1 THR 36 -11.507 -1.710 -8.963
293 HG21 THR 36 HG21 THR 36 -12.566 -1.583 -7.020
294 HG22 THR 36 HG22 THR 36 -13.174 -3.126 -6.419
295 HG23 THR 36 HG23 THR 36 -13.593 -2.584 -8.045
296 H ALA 37 HN ALA 37 -10.561 -5.917 -6.376
297 HA ALA 37 HA ALA 37 -7.915 -6.711 -6.516
298 HB1 ALA 37 HB1 ALA 37 -8.677 -8.895 -7.069
299 HB2 ALA 37 HB2 ALA 37 -10.090 -8.267 -7.919
300 HB3 ALA 37 HB3 ALA 37 -9.998 -8.158 -6.161
301 H THR 38 HN THR 38 -9.744 -5.378 -9.150
302 HA THR 38 HA THR 38 -8.306 -6.597 -11.304
303 HB THR 38 HB THR 38 -9.488 -3.818 -11.372
304 HG1 THR 38 HG1 THR 38 -10.946 -6.167 -11.877
305 HG21 THR 38 HG21 THR 38 -10.045 -4.526 -13.693
306 HG22 THR 38 HG22 THR 38 -9.224 -6.058 -13.396
307 HG23 THR 38 HG23 THR 38 -8.309 -4.549 -13.381
308 H SER 39 HN SER 39 -7.490 -3.995 -9.095
309 HA SER 39 HA SER 39 -5.064 -3.378 -10.773
310 HB2 SER 39 HB2 SER 39 -5.007 -1.218 -9.649
311 HB3 SER 39 HB1 SER 39 -6.584 -1.459 -10.393
312 HG SER 39 HG SER 39 -7.475 -1.623 -8.465
313 H VAL 40 HN VAL 40 -5.664 -5.473 -8.510
314 HA VAL 40 HA VAL 40 -4.216 -4.885 -6.189
315 HB VAL 40 HB VAL 40 -5.446 -7.027 -6.620
316 HG11 VAL 40 HG11 VAL 40 -4.531 -7.411 -8.909
317 HG12 VAL 40 HG12 VAL 40 -4.364 -8.816 -7.861
318 HG13 VAL 40 HG13 VAL 40 -2.967 -7.794 -8.188
319 HG21 VAL 40 HG21 VAL 40 -4.017 -8.410 -5.284
320 HG22 VAL 40 HG22 VAL 40 -3.687 -6.752 -4.791
321 HG23 VAL 40 HG23 VAL 40 -2.567 -7.588 -5.866
322 H SER 41 HN SER 41 -3.028 -4.845 -9.364
323 HA SER 41 HA SER 41 -0.269 -5.583 -8.669
324 HB2 SER 41 HB2 SER 41 -1.149 -6.082 -10.911
325 HB3 SER 41 HB1 SER 41 -1.431 -4.366 -11.193
326 HG SER 41 HG SER 41 1.083 -5.548 -10.589
327 H ASP 42 HN ASP 42 -1.894 -2.550 -9.748
328 HA ASP 42 HA ASP 42 0.437 -0.940 -9.395
329 HB2 ASP 42 HB2 ASP 42 -1.001 0.975 -9.576
330 HB3 ASP 42 HB1 ASP 42 -1.628 -0.257 -10.668
331 H LEU 43 HN LEU 43 -1.942 -2.108 -7.075
332 HA LEU 43 HA LEU 43 -1.160 -0.220 -5.001
333 HB2 LEU 43 HB2 LEU 43 -3.349 -1.421 -4.956
334 HB3 LEU 43 HB1 LEU 43 -2.479 -2.936 -4.743
335 HG LEU 43 HG LEU 43 -1.388 -1.655 -2.665
336 HD11 LEU 43 HD11 LEU 43 -2.753 0.444 -3.418
337 HD12 LEU 43 HD12 LEU 43 -2.667 0.043 -1.703
338 HD13 LEU 43 HD13 LEU 43 -4.104 -0.369 -2.633
339 HD21 LEU 43 HD21 LEU 43 -4.231 -2.710 -2.587
340 HD22 LEU 43 HD22 LEU 43 -3.118 -2.607 -1.224
341 HD23 LEU 43 HD23 LEU 43 -2.780 -3.710 -2.556
342 H LYS 44 HN LYS 44 -0.262 -3.521 -5.929
343 HA LYS 44 HA LYS 44 1.420 -4.199 -3.788
344 HB2 LYS 44 HB2 LYS 44 0.759 -5.536 -5.926
345 HB3 LYS 44 HB1 LYS 44 2.171 -4.787 -6.657
346 HG2 LYS 44 HG2 LYS 44 3.650 -5.797 -5.079
347 HG3 LYS 44 HG1 LYS 44 2.322 -6.295 -4.033
348 HD2 LYS 44 HD2 LYS 44 2.377 -7.294 -6.877
349 HD3 LYS 44 HD1 LYS 44 3.446 -8.040 -5.691
350 HE2 LYS 44 HE2 LYS 44 0.432 -7.793 -5.459
351 HE3 LYS 44 HE1 LYS 44 1.330 -9.268 -5.807
352 HZ1 LYS 44 HZ1 LYS 44 0.724 -8.167 -3.313
353 HZ2 LYS 44 HZ2 LYS 44 2.411 -8.092 -3.507
354 HZ3 LYS 44 HZ3 LYS 44 1.600 -9.579 -3.649
355 H LYS 45 HN LYS 45 2.024 -2.053 -6.524
356 HA LYS 45 HA LYS 45 4.848 -1.718 -5.985
357 HB2 LYS 45 HB2 LYS 45 3.376 -1.218 -8.146
358 HB3 LYS 45 HB1 LYS 45 3.214 0.374 -7.411
359 HG2 LYS 45 HG2 LYS 45 5.695 0.519 -7.258
360 HG3 LYS 45 HG1 LYS 45 5.810 -1.040 -8.078
361 HD2 LYS 45 HD2 LYS 45 4.370 0.045 -9.935
362 HD3 LYS 45 HD1 LYS 45 4.786 1.581 -9.175
363 HE2 LYS 45 HE2 LYS 45 6.674 -0.458 -10.370
364 HE3 LYS 45 HE1 LYS 45 6.422 1.210 -10.885
365 HZ1 LYS 45 HZ1 LYS 45 8.371 1.250 -9.624
366 HZ2 LYS 45 HZ2 LYS 45 7.735 0.229 -8.423
367 HZ3 LYS 45 HZ3 LYS 45 7.180 1.829 -8.565
368 H TYR 46 HN TYR 46 1.939 0.209 -5.260
369 HA TYR 46 HA TYR 46 3.126 2.432 -4.020
370 HB2 TYR 46 HB2 TYR 46 0.740 2.326 -4.442
371 HB3 TYR 46 HB1 TYR 46 0.572 0.955 -3.354
372 HD1 TYR 46 HD2 TYR 46 2.115 4.384 -3.213
373 HD2 TYR 46 HD1 TYR 46 -0.397 1.472 -1.292
374 HE1 TYR 46 HE2 TYR 46 1.740 5.948 -1.327
375 HE2 TYR 46 HE1 TYR 46 -0.784 3.044 0.588
376 HH TYR 46 HH TYR 46 1.096 5.822 1.069
377 H ILE 47 HN ILE 47 2.753 -0.846 -2.827
378 HA ILE 47 HA ILE 47 3.409 -0.161 -0.066
379 HB ILE 47 HB ILE 47 3.263 -2.800 -1.545
380 HG12 ILE 47 HG12 ILE 47 1.521 -1.695 0.674
381 HG13 ILE 47 HG11 ILE 47 1.146 -1.471 -1.033
382 HG21 ILE 47 HG21 ILE 47 3.310 -3.737 0.847
383 HG22 ILE 47 HG22 ILE 47 3.953 -2.168 1.333
384 HG23 ILE 47 HG23 ILE 47 4.851 -3.175 0.198
385 HD11 ILE 47 HD11 ILE 47 1.420 -4.109 0.432
386 HD12 ILE 47 HD12 ILE 47 1.233 -3.965 -1.316
387 HD13 ILE 47 HD13 ILE 47 -0.058 -3.423 -0.243
388 H ALA 48 HN ALA 48 5.166 -1.437 -2.874
389 HA ALA 48 HA ALA 48 7.638 -1.851 -1.436
390 HB1 ALA 48 HB1 ALA 48 7.161 -1.440 -4.402
391 HB2 ALA 48 HB2 ALA 48 7.146 -2.993 -3.566
392 HB3 ALA 48 HB3 ALA 48 8.642 -2.066 -3.678
393 H GLU 49 HN GLU 49 6.297 0.859 -3.291
394 HA GLU 49 HA GLU 49 8.713 2.408 -3.329
395 HB2 GLU 49 HB2 GLU 49 6.670 2.771 -4.785
396 HB3 GLU 49 HB1 GLU 49 5.900 3.513 -3.383
397 HG2 GLU 49 HG2 GLU 49 7.734 5.154 -3.233
398 HG3 GLU 49 HG1 GLU 49 8.509 4.414 -4.634
399 H LEU 50 HN LEU 50 6.095 2.135 -0.941
400 HA LEU 50 HA LEU 50 7.033 4.430 0.583
401 HB2 LEU 50 HB2 LEU 50 5.151 2.164 1.308
402 HB3 LEU 50 HB1 LEU 50 5.661 3.359 2.492
403 HG LEU 50 HG LEU 50 4.358 4.054 -0.159
404 HD11 LEU 50 HD11 LEU 50 2.452 4.714 1.574
405 HD12 LEU 50 HD12 LEU 50 3.213 3.466 2.561
406 HD13 LEU 50 HD13 LEU 50 2.579 3.067 0.967
407 HD21 LEU 50 HD21 LEU 50 3.942 6.216 1.409
408 HD22 LEU 50 HD22 LEU 50 5.397 6.040 0.437
409 HD23 LEU 50 HD23 LEU 50 5.434 5.643 2.153
410 H GLU 51 HN GLU 51 7.789 0.967 0.642
411 HA GLU 51 HA GLU 51 9.241 1.046 3.115
412 HB2 GLU 51 HB2 GLU 51 9.237 -0.788 0.725
413 HB3 GLU 51 HB1 GLU 51 10.505 -0.959 1.935
414 HG2 GLU 51 HG2 GLU 51 8.485 -2.412 2.330
415 HG3 GLU 51 HG1 GLU 51 8.888 -1.350 3.676
416 H VAL 52 HN VAL 52 10.045 1.992 -0.178
417 HA VAL 52 HA VAL 52 12.904 2.289 0.426
418 HB VAL 52 HB VAL 52 11.221 3.128 -1.955
419 HG11 VAL 52 HG11 VAL 52 13.525 3.402 -3.031
420 HG12 VAL 52 HG12 VAL 52 14.184 3.386 -1.396
421 HG13 VAL 52 HG13 VAL 52 13.058 4.655 -1.880
422 HG21 VAL 52 HG21 VAL 52 13.139 0.849 -1.403
423 HG22 VAL 52 HG22 VAL 52 12.652 1.305 -3.036
424 HG23 VAL 52 HG23 VAL 52 11.444 0.744 -1.880
425 H GLN 53 HN GLN 53 10.031 4.212 0.706
426 HA GLN 53 HA GLN 53 11.562 6.751 0.827
427 HB2 GLN 53 HB2 GLN 53 8.603 6.114 1.032
428 HB3 GLN 53 HB1 GLN 53 9.264 7.734 1.256
429 HG2 GLN 53 HG2 GLN 53 10.254 7.650 -0.999
430 HG3 GLN 53 HG1 GLN 53 9.602 6.026 -1.227
431 HE21 GLN 53 HE21 GLN 53 8.649 9.444 -0.799
432 HE22 GLN 53 HE22 GLN 53 7.088 9.256 -1.440
433 H THR 54 HN THR 54 10.707 4.237 2.884
434 HA THR 54 HA THR 54 10.937 6.001 5.303
435 HB THR 54 HB THR 54 8.965 3.999 4.549
436 HG1 THR 54 HG1 THR 54 8.264 5.851 5.382
437 HG21 THR 54 HG21 THR 54 10.260 2.401 5.862
438 HG22 THR 54 HG22 THR 54 8.826 2.870 6.774
439 HG23 THR 54 HG23 THR 54 10.397 3.556 7.189
440 H GLY 55 HN GLY 55 11.848 2.946 3.757
441 HA2 GLY 55 HA2 GLY 55 13.737 2.305 5.941
442 HA3 GLY 55 HA1 GLY 55 13.436 1.322 4.505
443 H MET 56 HN MET 56 14.662 4.609 5.235
444 HA MET 56 HA MET 56 16.130 5.023 2.901
445 HB2 MET 56 HB2 MET 56 15.884 6.767 4.588
446 HB3 MET 56 HB1 MET 56 16.836 5.831 5.742
447 HG2 MET 56 HG2 MET 56 18.826 6.062 4.414
448 HG3 MET 56 HG1 MET 56 17.917 6.730 3.059
449 HE1 MET 56 HE1 MET 56 20.085 7.390 5.944
450 HE2 MET 56 HE2 MET 56 18.602 7.194 6.875
451 HE3 MET 56 HE3 MET 56 19.409 8.759 6.837
452 H THR 57 HN THR 57 18.497 4.682 2.430
453 HA THR 57 HA THR 57 20.115 3.021 4.137
454 HB THR 57 HB THR 57 18.371 1.377 3.212
455 HG1 THR 57 HG1 THR 57 20.998 1.199 3.509
456 HG21 THR 57 HG21 THR 57 20.002 1.632 0.671
457 HG22 THR 57 HG22 THR 57 18.450 2.447 0.891
458 HG23 THR 57 HG23 THR 57 18.533 0.686 0.931
459 H GLN 58 HN GLN 58 21.903 1.962 2.425
460 HA GLN 58 HA GLN 58 22.441 3.509 0.079
461 HB2 GLN 58 HB2 GLN 58 22.884 5.303 1.735
462 HB3 GLN 58 HB1 GLN 58 24.062 4.265 2.534
463 HG2 GLN 58 HG2 GLN 58 25.476 4.243 0.581
464 HG3 GLN 58 HG1 GLN 58 24.246 5.060 -0.382
465 HE21 GLN 58 HE21 GLN 58 24.206 7.344 -0.319
466 HE22 GLN 58 HE22 GLN 58 25.193 8.279 0.698
467 H ARG 59 HN ARG 59 24.884 2.651 2.500
468 HA ARG 59 HA ARG 59 26.526 1.174 0.785
469 HB2 ARG 59 HB2 ARG 59 26.044 0.725 3.748
470 HB3 ARG 59 HB1 ARG 59 27.407 0.071 2.837
471 HG2 ARG 59 HG2 ARG 59 28.074 2.382 2.218
472 HG3 ARG 59 HG1 ARG 59 26.754 3.010 3.204
473 HD2 ARG 59 HD2 ARG 59 28.053 1.317 4.982
474 HD3 ARG 59 HD1 ARG 59 29.395 1.978 4.055
475 HE ARG 59 HE ARG 59 28.067 3.346 6.111
476 HH11 ARG 59 HH21 ARG 59 28.756 3.857 2.763
477 HH12 ARG 59 HH22 ARG 59 28.614 5.577 2.870
478 HH21 ARG 59 HH11 ARG 59 27.895 5.580 6.256
479 HH22 ARG 59 HH12 ARG 59 28.135 6.551 4.842
480 H ARG 60 HN ARG 60 26.883 -1.242 0.809
481 HA ARG 60 HA ARG 60 24.715 -3.001 1.568
482 HB2 ARG 60 HB2 ARG 60 23.725 -1.850 -0.434
483 HB3 ARG 60 HB1 ARG 60 25.056 -2.488 -1.401
484 HG2 ARG 60 HG2 ARG 60 24.402 -4.786 -0.807
485 HG3 ARG 60 HG1 ARG 60 23.081 -4.160 0.180
486 HD2 ARG 60 HD2 ARG 60 23.402 -3.782 -2.811
487 HD3 ARG 60 HD1 ARG 60 22.231 -4.836 -2.018
488 HE ARG 60 HE ARG 60 21.716 -2.341 -0.929
489 HH11 ARG 60 HH21 ARG 60 22.012 -3.677 -4.094
490 HH12 ARG 60 HH22 ARG 60 20.879 -2.578 -4.809
491 HH21 ARG 60 HH11 ARG 60 20.235 -0.898 -1.845
492 HH22 ARG 60 HH12 ARG 60 19.873 -1.005 -3.535
493 H ARG 61 HN ARG 61 27.384 -2.577 -0.772
494 HA ARG 61 HA ARG 61 28.092 -5.374 -0.802
495 HB2 ARG 61 HB2 ARG 61 29.957 -3.064 -1.385
496 HB3 ARG 61 HB1 ARG 61 30.025 -4.699 -2.039
497 HG2 ARG 61 HG2 ARG 61 27.824 -2.677 -2.561
498 HG3 ARG 61 HG1 ARG 61 29.087 -3.141 -3.701
499 HD2 ARG 61 HD2 ARG 61 28.227 -5.562 -3.362
500 HD3 ARG 61 HD1 ARG 61 26.795 -4.806 -2.663
501 HE ARG 61 HE ARG 61 27.130 -3.490 -5.080
502 HH11 ARG 61 HH21 ARG 61 26.904 -6.761 -4.015
503 HH12 ARG 61 HH22 ARG 61 26.165 -7.326 -5.476
504 HH21 ARG 61 HH11 ARG 61 26.167 -4.208 -6.994
505 HH22 ARG 61 HH12 ARG 61 25.748 -5.880 -7.163
506 H GLY 62 HN GLY 62 30.983 -4.953 -0.353
507 HA2 GLY 62 HA2 GLY 62 31.551 -4.005 2.261
508 HA3 GLY 62 HA1 GLY 62 31.126 -5.711 2.393
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 9.349 11.756 6.142
2 H2 MET 1 HT2 MET 1 7.789 11.226 5.728
3 H3 MET 1 HT3 MET 1 9.089 10.132 5.730
4 HA MET 1 HA MET 1 9.249 10.948 8.232
5 HB2 MET 1 HB2 MET 1 6.356 11.228 7.378
6 HB3 MET 1 HB1 MET 1 6.852 11.028 9.059
7 HG2 MET 1 HG2 MET 1 6.615 13.400 8.624
8 HG3 MET 1 HG1 MET 1 8.333 13.042 8.792
9 HE1 MET 1 HE1 MET 1 7.909 15.653 7.655
10 HE2 MET 1 HE2 MET 1 8.835 15.655 6.156
11 HE3 MET 1 HE3 MET 1 9.477 14.836 7.579
12 H VAL 2 HN VAL 2 8.514 9.213 9.739
13 HA VAL 2 HA VAL 2 8.715 6.618 8.504
14 HB VAL 2 HB VAL 2 8.349 5.748 10.789
15 HG11 VAL 2 HG11 VAL 2 10.183 7.163 11.917
16 HG12 VAL 2 HG12 VAL 2 10.181 8.127 10.442
17 HG13 VAL 2 HG13 VAL 2 10.590 6.413 10.375
18 HG21 VAL 2 HG21 VAL 2 7.375 8.565 11.243
19 HG22 VAL 2 HG22 VAL 2 8.162 7.720 12.574
20 HG23 VAL 2 HG23 VAL 2 6.711 7.045 11.844
21 H ARG 3 HN ARG 3 7.022 5.898 7.218
22 HA ARG 3 HA ARG 3 4.258 6.602 7.936
23 HB2 ARG 3 HB2 ARG 3 5.671 5.447 5.600
24 HB3 ARG 3 HB1 ARG 3 4.082 4.742 5.867
25 HG2 ARG 3 HG2 ARG 3 3.836 6.644 4.387
26 HG3 ARG 3 HG1 ARG 3 3.128 7.063 5.945
27 HD2 ARG 3 HD2 ARG 3 4.460 8.941 5.250
28 HD3 ARG 3 HD1 ARG 3 5.343 8.141 6.548
29 HE ARG 3 HE ARG 3 6.342 6.958 4.253
30 HH11 ARG 3 HH21 ARG 3 5.886 10.171 5.414
31 HH12 ARG 3 HH22 ARG 3 7.251 10.814 4.566
32 HH21 ARG 3 HH11 ARG 3 8.129 7.778 3.138
33 HH22 ARG 3 HH12 ARG 3 8.522 9.460 3.277
34 H GLN 4 HN GLN 4 5.851 4.953 9.776
35 HA GLN 4 HA GLN 4 5.339 2.217 9.768
36 HB2 GLN 4 HB2 GLN 4 5.350 4.207 12.038
37 HB3 GLN 4 HB1 GLN 4 5.141 2.479 12.321
38 HG2 GLN 4 HG2 GLN 4 7.276 1.967 11.383
39 HG3 GLN 4 HG1 GLN 4 7.448 3.587 10.709
40 HE21 GLN 4 HE21 GLN 4 9.576 3.356 12.086
41 HE22 GLN 4 HE22 GLN 4 9.482 3.879 13.698
42 H GLU 5 HN GLU 5 3.111 4.761 10.959
43 HA GLU 5 HA GLU 5 0.996 2.913 11.673
44 HB2 GLU 5 HB2 GLU 5 1.008 5.880 11.045
45 HB3 GLU 5 HB1 GLU 5 -0.420 5.014 11.616
46 HG2 GLU 5 HG2 GLU 5 0.701 6.011 13.531
47 HG3 GLU 5 HG1 GLU 5 0.901 4.260 13.609
48 H GLU 6 HN GLU 6 1.253 5.101 8.821
49 HA GLU 6 HA GLU 6 -1.107 4.060 7.567
50 HB2 GLU 6 HB2 GLU 6 1.297 5.421 6.312
51 HB3 GLU 6 HB1 GLU 6 -0.215 5.086 5.475
52 HG2 GLU 6 HG2 GLU 6 -1.251 6.400 7.574
53 HG3 GLU 6 HG1 GLU 6 0.363 7.112 7.619
54 H LEU 7 HN LEU 7 2.311 3.178 7.307
55 HA LEU 7 HA LEU 7 2.233 1.392 5.151
56 HB2 LEU 7 HB2 LEU 7 4.340 1.862 6.192
57 HB3 LEU 7 HB1 LEU 7 3.765 1.316 7.762
58 HG LEU 7 HG LEU 7 3.704 -0.991 7.012
59 HD11 LEU 7 HD11 LEU 7 4.574 -1.481 4.659
60 HD12 LEU 7 HD12 LEU 7 4.323 0.229 4.315
61 HD13 LEU 7 HD13 LEU 7 2.955 -0.791 4.749
62 HD21 LEU 7 HD21 LEU 7 6.079 -1.350 6.562
63 HD22 LEU 7 HD22 LEU 7 5.893 -0.043 7.733
64 HD23 LEU 7 HD23 LEU 7 6.260 0.329 6.048
65 H ALA 8 HN ALA 8 1.687 0.602 8.604
66 HA ALA 8 HA ALA 8 0.965 -2.096 8.291
67 HB1 ALA 8 HB1 ALA 8 0.072 -0.000 10.276
68 HB2 ALA 8 HB2 ALA 8 1.262 -1.281 10.506
69 HB3 ALA 8 HB3 ALA 8 -0.452 -1.680 10.391
70 H ALA 9 HN ALA 9 -1.012 0.814 7.862
71 HA ALA 9 HA ALA 9 -3.519 -0.575 7.593
72 HB1 ALA 9 HB1 ALA 9 -3.133 1.933 8.000
73 HB2 ALA 9 HB2 ALA 9 -4.406 1.504 6.858
74 HB3 ALA 9 HB3 ALA 9 -2.838 2.053 6.265
75 H ALA 10 HN ALA 10 -0.928 0.189 5.327
76 HA ALA 10 HA ALA 10 -2.456 -0.418 2.945
77 HB1 ALA 10 HB1 ALA 10 0.547 -0.637 3.241
78 HB2 ALA 10 HB2 ALA 10 -0.278 0.913 3.069
79 HB3 ALA 10 HB3 ALA 10 -0.374 -0.285 1.779
80 H ARG 11 HN ARG 11 -0.309 -2.315 5.051
81 HA ARG 11 HA ARG 11 -0.237 -4.670 3.447
82 HB2 ARG 11 HB2 ARG 11 -0.030 -4.265 6.441
83 HB3 ARG 11 HB1 ARG 11 0.190 -5.836 5.670
84 HG2 ARG 11 HG2 ARG 11 1.976 -4.830 4.236
85 HG3 ARG 11 HG1 ARG 11 1.811 -3.329 5.148
86 HD2 ARG 11 HD2 ARG 11 2.596 -6.031 6.277
87 HD3 ARG 11 HD1 ARG 11 3.659 -4.640 6.066
88 HE ARG 11 HE ARG 11 1.611 -3.671 7.661
89 HH11 ARG 11 HH21 ARG 11 3.783 -6.347 7.725
90 HH12 ARG 11 HH22 ARG 11 3.849 -6.423 9.454
91 HH21 ARG 11 HH11 ARG 11 1.684 -3.755 9.918
92 HH22 ARG 11 HH12 ARG 11 2.660 -4.956 10.696
93 H ALA 12 HN ALA 12 -2.582 -3.480 5.807
94 HA ALA 12 HA ALA 12 -4.155 -5.860 6.001
95 HB1 ALA 12 HB1 ALA 12 -6.005 -4.194 6.633
96 HB2 ALA 12 HB2 ALA 12 -4.796 -2.931 6.393
97 HB3 ALA 12 HB3 ALA 12 -4.549 -4.165 7.628
98 H ALA 13 HN ALA 13 -4.305 -3.085 3.772
99 HA ALA 13 HA ALA 13 -6.699 -3.785 2.438
100 HB1 ALA 13 HB1 ALA 13 -4.364 -2.666 0.899
101 HB2 ALA 13 HB2 ALA 13 -5.114 -1.703 2.172
102 HB3 ALA 13 HB3 ALA 13 -6.076 -2.243 0.796
103 H LEU 14 HN LEU 14 -3.380 -4.964 1.954
104 HA LEU 14 HA LEU 14 -3.915 -6.500 -0.403
105 HB2 LEU 14 HB2 LEU 14 -1.627 -6.120 0.132
106 HB3 LEU 14 HB1 LEU 14 -1.822 -6.707 1.775
107 HG LEU 14 HG LEU 14 -2.167 -9.006 0.918
108 HD11 LEU 14 HD11 LEU 14 -1.751 -7.664 -1.768
109 HD12 LEU 14 HD12 LEU 14 -3.181 -8.546 -1.239
110 HD13 LEU 14 HD13 LEU 14 -1.669 -9.406 -1.520
111 HD21 LEU 14 HD21 LEU 14 0.291 -7.676 -0.253
112 HD22 LEU 14 HD22 LEU 14 0.119 -9.386 0.143
113 HD23 LEU 14 HD23 LEU 14 0.119 -8.179 1.429
114 H HIS 15 HN HIS 15 -4.322 -7.186 3.045
115 HA HIS 15 HA HIS 15 -4.984 -9.982 2.631
116 HB2 HIS 15 HB2 HIS 15 -4.073 -9.078 4.777
117 HB3 HIS 15 HB1 HIS 15 -5.598 -8.223 5.012
118 HD1 HIS 15 HD1 HIS 15 -7.165 -9.485 6.467
119 HD2 HIS 15 HD2 HIS 15 -4.753 -12.058 4.244
120 HE1 HIS 15 HE1 HIS 15 -7.840 -11.838 7.116
121 H ASP 16 HN ASP 16 -6.919 -7.061 3.264
122 HA ASP 16 HA ASP 16 -9.367 -8.544 3.228
123 HB2 ASP 16 HB2 ASP 16 -9.042 -6.275 4.281
124 HB3 ASP 16 HB1 ASP 16 -9.044 -5.591 2.655
125 H LEU 17 HN LEU 17 -7.601 -6.812 0.671
126 HA LEU 17 HA LEU 17 -9.750 -7.029 -1.239
127 HB2 LEU 17 HB2 LEU 17 -6.782 -6.543 -1.582
128 HB3 LEU 17 HB1 LEU 17 -7.848 -6.729 -2.965
129 HG LEU 17 HG LEU 17 -8.241 -4.683 -0.763
130 HD11 LEU 17 HD11 LEU 17 -7.581 -3.104 -2.676
131 HD12 LEU 17 HD12 LEU 17 -6.967 -4.534 -3.502
132 HD13 LEU 17 HD13 LEU 17 -6.279 -4.045 -1.956
133 HD21 LEU 17 HD21 LEU 17 -9.769 -5.438 -3.243
134 HD22 LEU 17 HD22 LEU 17 -9.680 -3.729 -2.827
135 HD23 LEU 17 HD23 LEU 17 -10.374 -4.873 -1.686
136 H MET 18 HN MET 18 -7.162 -9.257 -0.311
137 HA MET 18 HA MET 18 -8.023 -11.111 -2.496
138 HB2 MET 18 HB2 MET 18 -5.549 -10.446 -2.046
139 HB3 MET 18 HB1 MET 18 -5.664 -11.548 -0.673
140 HG2 MET 18 HG2 MET 18 -4.807 -12.815 -2.534
141 HG3 MET 18 HG1 MET 18 -6.477 -13.321 -2.296
142 HE1 MET 18 HE1 MET 18 -4.338 -13.318 -4.964
143 HE2 MET 18 HE2 MET 18 -5.618 -13.355 -6.174
144 HE3 MET 18 HE3 MET 18 -5.771 -14.325 -4.712
145 H THR 19 HN THR 19 -8.829 -10.528 0.664
146 HA THR 19 HA THR 19 -9.087 -13.414 1.381
147 HB THR 19 HB THR 19 -9.543 -10.875 2.972
148 HG1 THR 19 HG1 THR 19 -7.790 -12.961 3.610
149 HG21 THR 19 HG21 THR 19 -10.055 -13.774 3.631
150 HG22 THR 19 HG22 THR 19 -11.161 -12.410 3.788
151 HG23 THR 19 HG23 THR 19 -9.788 -12.563 4.884
152 H GLY 20 HN GLY 20 -10.993 -10.693 0.287
153 HA2 GLY 20 HA2 GLY 20 -13.207 -12.216 -0.500
154 HA3 GLY 20 HA1 GLY 20 -13.553 -11.715 1.155
155 H LYS 21 HN LYS 21 -13.474 -9.340 1.591
156 HA LYS 21 HA LYS 21 -15.104 -7.827 -0.081
157 HB2 LYS 21 HB2 LYS 21 -12.844 -6.554 1.469
158 HB3 LYS 21 HB1 LYS 21 -14.457 -5.912 1.165
159 HG2 LYS 21 HG2 LYS 21 -15.343 -7.922 2.483
160 HG3 LYS 21 HG1 LYS 21 -13.676 -8.181 3.001
161 HD2 LYS 21 HD2 LYS 21 -13.589 -5.927 3.952
162 HD3 LYS 21 HD1 LYS 21 -15.224 -5.601 3.377
163 HE2 LYS 21 HE2 LYS 21 -16.081 -7.447 4.785
164 HE3 LYS 21 HE1 LYS 21 -14.447 -7.743 5.377
165 HZ1 LYS 21 HZ1 LYS 21 -14.674 -6.119 6.842
166 HZ2 LYS 21 HZ2 LYS 21 -16.298 -5.941 6.372
167 HZ3 LYS 21 HZ3 LYS 21 -15.088 -5.005 5.631
168 H ARG 22 HN ARG 22 -14.716 -7.653 -2.249
169 HA ARG 22 HA ARG 22 -12.066 -7.456 -3.376
170 HB2 ARG 22 HB2 ARG 22 -14.735 -6.770 -4.642
171 HB3 ARG 22 HB1 ARG 22 -13.224 -7.082 -5.498
172 HG2 ARG 22 HG2 ARG 22 -13.177 -9.374 -4.534
173 HG3 ARG 22 HG1 ARG 22 -14.727 -9.057 -3.755
174 HD2 ARG 22 HD2 ARG 22 -15.705 -8.586 -6.014
175 HD3 ARG 22 HD1 ARG 22 -14.173 -9.081 -6.734
176 HE ARG 22 HE ARG 22 -14.870 -11.226 -5.127
177 HH11 ARG 22 HH21 ARG 22 -16.376 -9.365 -7.608
178 HH12 ARG 22 HH22 ARG 22 -17.338 -10.679 -8.195
179 HH21 ARG 22 HH11 ARG 22 -16.120 -12.955 -5.879
180 HH22 ARG 22 HH12 ARG 22 -17.194 -12.711 -7.217
181 H VAL 23 HN VAL 23 -14.165 -5.150 -1.944
182 HA VAL 23 HA VAL 23 -12.789 -2.873 -3.325
183 HB VAL 23 HB VAL 23 -15.277 -2.868 -1.598
184 HG11 VAL 23 HG11 VAL 23 -13.977 -0.759 -3.348
185 HG12 VAL 23 HG12 VAL 23 -14.127 -0.716 -1.591
186 HG13 VAL 23 HG13 VAL 23 -15.566 -0.598 -2.603
187 HG21 VAL 23 HG21 VAL 23 -14.891 -2.852 -4.605
188 HG22 VAL 23 HG22 VAL 23 -16.420 -2.481 -3.808
189 HG23 VAL 23 HG23 VAL 23 -15.710 -4.087 -3.650
190 H ALA 24 HN ALA 24 -11.753 -1.281 -2.123
191 HA ALA 24 HA ALA 24 -11.667 -1.436 0.820
192 HB1 ALA 24 HB1 ALA 24 -9.214 -1.886 -0.911
193 HB2 ALA 24 HB2 ALA 24 -9.885 -2.996 0.282
194 HB3 ALA 24 HB3 ALA 24 -9.138 -1.485 0.803
195 H THR 25 HN THR 25 -10.800 0.559 1.724
196 HA THR 25 HA THR 25 -10.174 2.719 -0.249
197 HB THR 25 HB THR 25 -11.742 4.241 0.885
198 HG1 THR 25 HG1 THR 25 -12.291 3.650 2.810
199 HG21 THR 25 HG21 THR 25 -12.429 2.662 -1.044
200 HG22 THR 25 HG22 THR 25 -13.718 3.424 -0.113
201 HG23 THR 25 HG23 THR 25 -13.282 1.743 0.195
202 H VAL 26 HN VAL 26 -8.749 4.272 0.566
203 HA VAL 26 HA VAL 26 -8.047 4.185 3.462
204 HB VAL 26 HB VAL 26 -5.578 4.387 2.700
205 HG11 VAL 26 HG11 VAL 26 -5.304 1.967 2.702
206 HG12 VAL 26 HG12 VAL 26 -6.997 1.745 2.264
207 HG13 VAL 26 HG13 VAL 26 -6.574 2.406 3.843
208 HG21 VAL 26 HG21 VAL 26 -6.326 4.662 0.260
209 HG22 VAL 26 HG22 VAL 26 -6.606 2.920 0.274
210 HG23 VAL 26 HG23 VAL 26 -4.988 3.558 0.569
211 H GLN 27 HN GLN 27 -7.053 6.170 4.182
212 HA GLN 27 HA GLN 27 -7.940 8.493 2.614
213 HB2 GLN 27 HB2 GLN 27 -6.712 8.160 5.363
214 HB3 GLN 27 HB1 GLN 27 -7.039 9.744 4.660
215 HG2 GLN 27 HG2 GLN 27 -8.934 9.081 6.044
216 HG3 GLN 27 HG1 GLN 27 -9.425 9.064 4.350
217 HE21 GLN 27 HE21 GLN 27 -8.757 7.022 7.152
218 HE22 GLN 27 HE22 GLN 27 -9.320 5.578 6.462
219 H LYS 28 HN LYS 28 -6.576 8.965 0.928
220 HA LYS 28 HA LYS 28 -3.696 9.467 1.604
221 HB2 LYS 28 HB2 LYS 28 -4.617 8.254 -1.019
222 HB3 LYS 28 HB1 LYS 28 -2.960 8.495 -0.468
223 HG2 LYS 28 HG2 LYS 28 -3.552 6.979 1.509
224 HG3 LYS 28 HG1 LYS 28 -5.007 6.554 0.609
225 HD2 LYS 28 HD2 LYS 28 -2.180 6.275 -0.451
226 HD3 LYS 28 HD1 LYS 28 -3.139 4.951 0.205
227 HE2 LYS 28 HE2 LYS 28 -3.511 4.768 -2.108
228 HE3 LYS 28 HE1 LYS 28 -4.921 5.674 -1.561
229 HZ1 LYS 28 HZ1 LYS 28 -2.673 7.348 -2.170
230 HZ2 LYS 28 HZ2 LYS 28 -4.285 7.464 -2.694
231 HZ3 LYS 28 HZ3 LYS 28 -3.195 6.447 -3.510
232 H ASP 29 HN ASP 29 -2.769 11.221 0.467
233 HA ASP 29 HA ASP 29 -2.872 13.395 -0.426
234 HB2 ASP 29 HB2 ASP 29 -2.896 12.034 -2.484
235 HB3 ASP 29 HB1 ASP 29 -4.657 11.946 -2.406
236 H GLY 30 HN GLY 30 -4.702 13.135 1.713
237 HA2 GLY 30 HA2 GLY 30 -6.638 14.105 2.608
238 HA3 GLY 30 HA1 GLY 30 -6.369 15.361 1.400
239 H ARG 31 HN ARG 31 -6.752 12.509 -0.307
240 HA ARG 31 HA ARG 31 -9.730 12.864 -0.518
241 HB2 ARG 31 HB2 ARG 31 -8.398 13.828 -2.457
242 HB3 ARG 31 HB1 ARG 31 -7.864 12.182 -2.805
243 HG2 ARG 31 HG2 ARG 31 -10.191 11.454 -3.058
244 HG3 ARG 31 HG1 ARG 31 -10.760 13.073 -2.656
245 HD2 ARG 31 HD2 ARG 31 -8.987 13.579 -4.735
246 HD3 ARG 31 HD1 ARG 31 -9.704 12.047 -5.223
247 HE ARG 31 HE ARG 31 -10.955 14.542 -5.499
248 HH11 ARG 31 HH21 ARG 31 -11.644 11.521 -3.969
249 HH12 ARG 31 HH22 ARG 31 -13.355 11.767 -3.976
250 HH21 ARG 31 HH11 ARG 31 -13.178 14.859 -5.523
251 HH22 ARG 31 HH12 ARG 31 -14.223 13.648 -4.857
252 H ARG 32 HN ARG 32 -10.901 10.956 -0.906
253 HA ARG 32 HA ARG 32 -9.481 8.475 -0.112
254 HB2 ARG 32 HB2 ARG 32 -11.605 7.594 0.446
255 HB3 ARG 32 HB1 ARG 32 -11.698 9.286 0.921
256 HG2 ARG 32 HG2 ARG 32 -12.755 9.755 -1.343
257 HG3 ARG 32 HG1 ARG 32 -12.869 8.006 -1.561
258 HD2 ARG 32 HD2 ARG 32 -14.199 7.822 0.504
259 HD3 ARG 32 HD1 ARG 32 -14.085 9.566 0.743
260 HE ARG 32 HE ARG 32 -15.172 9.318 -1.792
261 HH11 ARG 32 HH21 ARG 32 -15.866 8.101 1.357
262 HH12 ARG 32 HH22 ARG 32 -17.576 8.017 1.093
263 HH21 ARG 32 HH11 ARG 32 -17.401 9.215 -2.156
264 HH22 ARG 32 HH12 ARG 32 -18.444 8.647 -0.896
265 H VAL 33 HN VAL 33 -9.093 6.833 -1.532
266 HA VAL 33 HA VAL 33 -10.341 6.948 -4.264
267 HB VAL 33 HB VAL 33 -7.469 6.222 -3.582
268 HG11 VAL 33 HG11 VAL 33 -9.047 6.219 -6.174
269 HG12 VAL 33 HG12 VAL 33 -8.262 4.842 -5.404
270 HG13 VAL 33 HG13 VAL 33 -7.287 6.130 -6.110
271 HG21 VAL 33 HG21 VAL 33 -8.769 8.629 -4.883
272 HG22 VAL 33 HG22 VAL 33 -7.085 8.215 -5.201
273 HG23 VAL 33 HG23 VAL 33 -7.602 8.601 -3.562
274 H GLU 34 HN GLU 34 -10.910 4.982 -5.124
275 HA GLU 34 HA GLU 34 -10.989 2.721 -3.184
276 HB2 GLU 34 HB2 GLU 34 -12.403 2.688 -5.843
277 HB3 GLU 34 HB1 GLU 34 -12.891 1.973 -4.307
278 HG2 GLU 34 HG2 GLU 34 -14.325 3.833 -4.529
279 HG3 GLU 34 HG1 GLU 34 -13.057 4.422 -3.455
280 H PHE 35 HN PHE 35 -10.478 0.572 -3.884
281 HA PHE 35 HA PHE 35 -8.810 0.269 -6.346
282 HB2 PHE 35 HB2 PHE 35 -7.993 -0.282 -3.491
283 HB3 PHE 35 HB1 PHE 35 -7.280 -1.184 -4.826
284 HD1 PHE 35 HD2 PHE 35 -6.550 0.392 -6.890
285 HD2 PHE 35 HD1 PHE 35 -6.843 1.638 -2.793
286 HE1 PHE 35 HE2 PHE 35 -4.967 2.242 -7.345
287 HE2 PHE 35 HE1 PHE 35 -5.248 3.487 -3.245
288 HZ PHE 35 HZ PHE 35 -4.317 3.791 -5.521
289 H THR 36 HN THR 36 -9.277 -1.653 -7.348
290 HA THR 36 HA THR 36 -10.932 -3.658 -5.835
291 HB THR 36 HB THR 36 -11.789 -4.234 -8.195
292 HG1 THR 36 HG1 THR 36 -11.028 -1.590 -8.766
293 HG21 THR 36 HG21 THR 36 -12.451 -1.504 -7.059
294 HG22 THR 36 HG22 THR 36 -13.102 -3.029 -6.460
295 HG23 THR 36 HG23 THR 36 -13.490 -2.486 -8.092
296 H ALA 37 HN ALA 37 -10.561 -5.883 -6.385
297 HA ALA 37 HA ALA 37 -7.936 -6.741 -6.485
298 HB1 ALA 37 HB1 ALA 37 -10.127 -8.245 -7.916
299 HB2 ALA 37 HB2 ALA 37 -10.053 -8.138 -6.157
300 HB3 ALA 37 HB3 ALA 37 -8.741 -8.907 -7.048
301 H THR 38 HN THR 38 -9.699 -5.376 -9.148
302 HA THR 38 HA THR 38 -8.237 -6.626 -11.274
303 HB THR 38 HB THR 38 -9.416 -3.846 -11.380
304 HG1 THR 38 HG1 THR 38 -10.665 -5.955 -10.559
305 HG21 THR 38 HG21 THR 38 -9.937 -4.571 -13.706
306 HG22 THR 38 HG22 THR 38 -9.118 -6.100 -13.386
307 HG23 THR 38 HG23 THR 38 -8.206 -4.589 -13.367
308 H SER 39 HN SER 39 -7.445 -4.010 -9.076
309 HA SER 39 HA SER 39 -5.000 -3.403 -10.729
310 HB2 SER 39 HB2 SER 39 -4.959 -1.237 -9.616
311 HB3 SER 39 HB1 SER 39 -6.530 -1.484 -10.371
312 HG SER 39 HG SER 39 -5.852 -1.226 -7.730
313 H VAL 40 HN VAL 40 -5.647 -5.474 -8.452
314 HA VAL 40 HA VAL 40 -4.218 -4.889 -6.121
315 HB VAL 40 HB VAL 40 -5.481 -7.005 -6.556
316 HG11 VAL 40 HG11 VAL 40 -4.601 -7.435 -8.831
317 HG12 VAL 40 HG12 VAL 40 -4.405 -8.831 -7.773
318 HG13 VAL 40 HG13 VAL 40 -3.020 -7.803 -8.136
319 HG21 VAL 40 HG21 VAL 40 -3.727 -6.779 -4.716
320 HG22 VAL 40 HG22 VAL 40 -2.628 -7.647 -5.785
321 HG23 VAL 40 HG23 VAL 40 -4.105 -8.427 -5.214
322 H SER 41 HN SER 41 -2.997 -4.916 -9.293
323 HA SER 41 HA SER 41 -0.249 -5.650 -8.549
324 HB2 SER 41 HB2 SER 41 0.271 -5.165 -10.891
325 HB3 SER 41 HB1 SER 41 -1.163 -6.183 -10.791
326 HG SER 41 HG SER 41 -2.058 -3.754 -10.653
327 H ASP 42 HN ASP 42 -1.836 -2.636 -9.737
328 HA ASP 42 HA ASP 42 0.491 -1.031 -9.398
329 HB2 ASP 42 HB2 ASP 42 -0.940 0.891 -9.593
330 HB3 ASP 42 HB1 ASP 42 -1.572 -0.349 -10.674
331 H LEU 43 HN LEU 43 -1.831 -2.222 -7.057
332 HA LEU 43 HA LEU 43 -1.086 -0.294 -5.002
333 HB2 LEU 43 HB2 LEU 43 -3.239 -1.590 -4.949
334 HB3 LEU 43 HB1 LEU 43 -2.298 -3.054 -4.677
335 HG LEU 43 HG LEU 43 -1.270 -1.637 -2.657
336 HD11 LEU 43 HD11 LEU 43 -4.052 -0.498 -2.668
337 HD12 LEU 43 HD12 LEU 43 -2.749 0.356 -3.484
338 HD13 LEU 43 HD13 LEU 43 -2.640 0.026 -1.756
339 HD21 LEU 43 HD21 LEU 43 -4.046 -2.857 -2.553
340 HD22 LEU 43 HD22 LEU 43 -2.973 -2.608 -1.175
341 HD23 LEU 43 HD23 LEU 43 -2.533 -3.753 -2.442
342 H LYS 44 HN LYS 44 -0.082 -3.595 -5.913
343 HA LYS 44 HA LYS 44 1.685 -4.131 -3.777
344 HB2 LYS 44 HB2 LYS 44 1.467 -4.970 -6.629
345 HB3 LYS 44 HB1 LYS 44 3.066 -5.180 -5.921
346 HG2 LYS 44 HG2 LYS 44 2.038 -6.447 -4.043
347 HG3 LYS 44 HG1 LYS 44 0.467 -6.298 -4.830
348 HD2 LYS 44 HD2 LYS 44 1.395 -7.443 -6.838
349 HD3 LYS 44 HD1 LYS 44 2.920 -7.661 -5.980
350 HE2 LYS 44 HE2 LYS 44 0.239 -8.907 -5.392
351 HE3 LYS 44 HE1 LYS 44 1.795 -9.703 -5.628
352 HZ1 LYS 44 HZ1 LYS 44 1.765 -9.742 -3.392
353 HZ2 LYS 44 HZ2 LYS 44 0.708 -8.420 -3.258
354 HZ3 LYS 44 HZ3 LYS 44 2.361 -8.162 -3.549
355 H LYS 45 HN LYS 45 2.045 -1.966 -6.530
356 HA LYS 45 HA LYS 45 4.877 -1.479 -6.133
357 HB2 LYS 45 HB2 LYS 45 2.764 0.188 -7.533
358 HB3 LYS 45 HB1 LYS 45 4.504 0.432 -7.667
359 HG2 LYS 45 HG2 LYS 45 3.333 -2.273 -8.303
360 HG3 LYS 45 HG1 LYS 45 3.228 -0.987 -9.500
361 HD2 LYS 45 HD2 LYS 45 5.907 -1.457 -8.225
362 HD3 LYS 45 HD1 LYS 45 5.342 -2.651 -9.389
363 HE2 LYS 45 HE2 LYS 45 6.733 -0.707 -10.324
364 HE3 LYS 45 HE1 LYS 45 5.206 -1.046 -11.136
365 HZ1 LYS 45 HZ1 LYS 45 4.200 0.679 -9.660
366 HZ2 LYS 45 HZ2 LYS 45 5.318 1.275 -10.792
367 HZ3 LYS 45 HZ3 LYS 45 5.769 1.094 -9.164
368 H TYR 46 HN TYR 46 1.908 0.268 -5.227
369 HA TYR 46 HA TYR 46 3.084 2.519 -3.999
370 HB2 TYR 46 HB2 TYR 46 0.686 2.349 -4.381
371 HB3 TYR 46 HB1 TYR 46 0.577 0.990 -3.269
372 HD1 TYR 46 HD1 TYR 46 2.016 4.465 -3.250
373 HD2 TYR 46 HD2 TYR 46 -0.282 1.499 -1.155
374 HE1 TYR 46 HE1 TYR 46 1.678 6.050 -1.375
375 HE2 TYR 46 HE2 TYR 46 -0.625 3.088 0.719
376 HH TYR 46 HH TYR 46 0.680 6.404 0.574
377 H ILE 47 HN ILE 47 2.792 -0.787 -2.850
378 HA ILE 47 HA ILE 47 3.505 -0.126 -0.096
379 HB ILE 47 HB ILE 47 3.368 -2.753 -1.599
380 HG12 ILE 47 HG12 ILE 47 1.651 -1.696 0.663
381 HG13 ILE 47 HG11 ILE 47 1.238 -1.465 -1.035
382 HG21 ILE 47 HG21 ILE 47 4.112 -2.130 1.265
383 HG22 ILE 47 HG22 ILE 47 4.992 -3.123 0.106
384 HG23 ILE 47 HG23 ILE 47 3.474 -3.705 0.790
385 HD11 ILE 47 HD11 ILE 47 0.103 -3.455 -0.130
386 HD12 ILE 47 HD12 ILE 47 1.662 -4.139 0.330
387 HD13 ILE 47 HD13 ILE 47 1.267 -3.912 -1.373
388 H ALA 48 HN ALA 48 5.202 -1.191 -3.002
389 HA ALA 48 HA ALA 48 7.724 -1.660 -1.650
390 HB1 ALA 48 HB1 ALA 48 8.661 -1.756 -3.929
391 HB2 ALA 48 HB2 ALA 48 7.144 -1.131 -4.579
392 HB3 ALA 48 HB3 ALA 48 7.189 -2.720 -3.812
393 H GLU 49 HN GLU 49 6.346 1.063 -3.482
394 HA GLU 49 HA GLU 49 8.694 2.680 -3.466
395 HB2 GLU 49 HB2 GLU 49 6.680 3.093 -4.891
396 HB3 GLU 49 HB1 GLU 49 5.823 3.647 -3.454
397 HG2 GLU 49 HG2 GLU 49 7.470 5.423 -3.115
398 HG3 GLU 49 HG1 GLU 49 8.409 4.841 -4.492
399 H LEU 50 HN LEU 50 6.124 2.274 -1.037
400 HA LEU 50 HA LEU 50 7.085 4.513 0.559
401 HB2 LEU 50 HB2 LEU 50 5.251 2.197 1.272
402 HB3 LEU 50 HB1 LEU 50 5.747 3.409 2.444
403 HG LEU 50 HG LEU 50 4.329 4.025 -0.169
404 HD11 LEU 50 HD11 LEU 50 2.681 2.989 1.156
405 HD12 LEU 50 HD12 LEU 50 2.481 4.690 1.561
406 HD13 LEU 50 HD13 LEU 50 3.349 3.618 2.661
407 HD21 LEU 50 HD21 LEU 50 5.380 6.041 0.311
408 HD22 LEU 50 HD22 LEU 50 5.489 5.704 2.038
409 HD23 LEU 50 HD23 LEU 50 3.961 6.233 1.335
410 H GLU 51 HN GLU 51 7.867 1.079 0.390
411 HA GLU 51 HA GLU 51 9.321 0.960 2.854
412 HB2 GLU 51 HB2 GLU 51 9.609 -0.626 0.285
413 HB3 GLU 51 HB1 GLU 51 10.565 -0.954 1.727
414 HG2 GLU 51 HG2 GLU 51 8.605 -1.457 3.010
415 HG3 GLU 51 HG1 GLU 51 7.543 -0.863 1.733
416 H VAL 52 HN VAL 52 10.127 2.231 -0.331
417 HA VAL 52 HA VAL 52 12.979 2.505 0.320
418 HB VAL 52 HB VAL 52 11.309 3.540 -1.993
419 HG11 VAL 52 HG11 VAL 52 14.264 3.761 -1.388
420 HG12 VAL 52 HG12 VAL 52 13.137 5.063 -1.764
421 HG13 VAL 52 HG13 VAL 52 13.618 3.925 -3.021
422 HG21 VAL 52 HG21 VAL 52 12.798 1.831 -3.214
423 HG22 VAL 52 HG22 VAL 52 11.534 1.176 -2.177
424 HG23 VAL 52 HG23 VAL 52 13.204 1.211 -1.613
425 H GLN 53 HN GLN 53 10.082 4.376 0.728
426 HA GLN 53 HA GLN 53 11.594 6.905 1.080
427 HB2 GLN 53 HB2 GLN 53 8.632 6.253 1.272
428 HB3 GLN 53 HB1 GLN 53 9.313 7.859 1.539
429 HG2 GLN 53 HG2 GLN 53 10.252 7.852 -0.736
430 HG3 GLN 53 HG1 GLN 53 9.595 6.237 -1.008
431 HE21 GLN 53 HE21 GLN 53 8.877 9.588 -1.229
432 HE22 GLN 53 HE22 GLN 53 7.210 9.445 -1.516
433 H THR 54 HN THR 54 10.758 4.217 2.911
434 HA THR 54 HA THR 54 11.002 5.768 5.469
435 HB THR 54 HB THR 54 8.947 3.933 4.540
436 HG1 THR 54 HG1 THR 54 9.131 5.168 7.062
437 HG21 THR 54 HG21 THR 54 10.170 2.165 5.708
438 HG22 THR 54 HG22 THR 54 8.742 2.604 6.643
439 HG23 THR 54 HG23 THR 54 10.331 3.183 7.139
440 H GLY 55 HN GLY 55 12.240 3.279 3.449
441 HA2 GLY 55 HA2 GLY 55 13.423 1.508 5.287
442 HA3 GLY 55 HA1 GLY 55 14.128 1.900 3.720
443 H MET 56 HN MET 56 15.782 3.586 3.642
444 HA MET 56 HA MET 56 16.450 5.202 5.914
445 HB2 MET 56 HB2 MET 56 18.612 4.061 6.499
446 HB3 MET 56 HB1 MET 56 17.184 3.139 6.958
447 HG2 MET 56 HG2 MET 56 18.488 2.654 4.281
448 HG3 MET 56 HG1 MET 56 19.144 1.910 5.735
449 HE1 MET 56 HE1 MET 56 17.658 0.643 2.953
450 HE2 MET 56 HE2 MET 56 17.137 -0.840 3.749
451 HE3 MET 56 HE3 MET 56 18.722 -0.163 4.114
452 H THR 57 HN THR 57 16.160 5.775 3.216
453 HA THR 57 HA THR 57 18.866 5.906 2.018
454 HB THR 57 HB THR 57 16.776 5.447 0.648
455 HG1 THR 57 HG1 THR 57 18.410 6.099 -0.568
456 HG21 THR 57 HG21 THR 57 16.292 8.422 0.965
457 HG22 THR 57 HG22 THR 57 15.423 7.210 1.910
458 HG23 THR 57 HG23 THR 57 15.265 7.236 0.154
459 H GLN 58 HN GLN 58 18.761 8.360 0.745
460 HA GLN 58 HA GLN 58 18.055 10.543 2.446
461 HB2 GLN 58 HB2 GLN 58 19.885 9.681 3.865
462 HB3 GLN 58 HB1 GLN 58 20.986 9.744 2.490
463 HG2 GLN 58 HG2 GLN 58 20.808 12.146 2.365
464 HG3 GLN 58 HG1 GLN 58 19.510 12.162 3.559
465 HE21 GLN 58 HE21 GLN 58 21.963 13.626 3.949
466 HE22 GLN 58 HE22 GLN 58 22.786 12.930 5.260
467 H ARG 59 HN ARG 59 19.965 9.225 -0.174
468 HA ARG 59 HA ARG 59 19.301 11.466 -1.885
469 HB2 ARG 59 HB2 ARG 59 21.181 12.420 -0.511
470 HB3 ARG 59 HB1 ARG 59 22.224 11.146 -1.145
471 HG2 ARG 59 HG2 ARG 59 21.751 11.929 -3.451
472 HG3 ARG 59 HG1 ARG 59 20.763 13.233 -2.791
473 HD2 ARG 59 HD2 ARG 59 22.675 14.194 -1.658
474 HD3 ARG 59 HD1 ARG 59 23.685 12.817 -2.103
475 HE ARG 59 HE ARG 59 22.810 13.807 -4.538
476 HH11 ARG 59 HH21 ARG 59 24.355 15.077 -1.729
477 HH12 ARG 59 HH22 ARG 59 25.231 16.291 -2.597
478 HH21 ARG 59 HH11 ARG 59 23.948 15.387 -5.689
479 HH22 ARG 59 HH12 ARG 59 25.002 16.467 -4.838
480 H ARG 60 HN ARG 60 19.251 10.683 -3.947
481 HA ARG 60 HA ARG 60 19.522 9.184 -5.723
482 HB2 ARG 60 HB2 ARG 60 22.000 10.017 -5.057
483 HB3 ARG 60 HB1 ARG 60 22.196 8.314 -4.664
484 HG2 ARG 60 HG2 ARG 60 22.819 8.317 -6.913
485 HG3 ARG 60 HG1 ARG 60 21.104 7.938 -7.049
486 HD2 ARG 60 HD2 ARG 60 20.644 10.385 -7.370
487 HD3 ARG 60 HD1 ARG 60 22.384 10.669 -7.373
488 HE ARG 60 HE ARG 60 22.022 8.729 -9.320
489 HH11 ARG 60 HH21 ARG 60 20.713 11.835 -8.599
490 HH12 ARG 60 HH22 ARG 60 20.410 12.240 -10.257
491 HH21 ARG 60 HH11 ARG 60 21.633 9.237 -11.487
492 HH22 ARG 60 HH12 ARG 60 20.931 10.768 -11.891
493 H ARG 61 HN ARG 61 20.182 6.713 -6.119
494 HA ARG 61 HA ARG 61 19.587 4.501 -5.613
495 HB2 ARG 61 HB2 ARG 61 20.482 5.299 -2.827
496 HB3 ARG 61 HB1 ARG 61 20.405 3.663 -3.480
497 HG2 ARG 61 HG2 ARG 61 22.070 4.306 -5.214
498 HG3 ARG 61 HG1 ARG 61 22.190 5.903 -4.476
499 HD2 ARG 61 HD2 ARG 61 24.008 4.456 -3.675
500 HD3 ARG 61 HD1 ARG 61 22.913 4.853 -2.350
501 HE ARG 61 HE ARG 61 21.918 2.464 -3.346
502 HH11 ARG 61 HH21 ARG 61 24.958 3.648 -2.234
503 HH12 ARG 61 HH22 ARG 61 25.490 2.110 -1.640
504 HH21 ARG 61 HH11 ARG 61 22.594 0.449 -2.577
505 HH22 ARG 61 HH12 ARG 61 24.152 0.299 -1.834
506 H GLY 62 HN GLY 62 17.428 6.296 -5.593
507 HA2 GLY 62 HA2 GLY 62 15.429 4.823 -4.232
508 HA3 GLY 62 HA1 GLY 62 15.846 6.201 -3.212
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 9.468 12.350 8.531
2 H2 MET 1 HT2 MET 1 8.621 11.064 9.247
3 H3 MET 1 HT3 MET 1 7.937 11.915 7.945
4 HA MET 1 HA MET 1 8.981 10.689 6.432
5 HB2 MET 1 HB2 MET 1 11.422 10.201 6.626
6 HB3 MET 1 HB1 MET 1 11.057 11.915 6.822
7 HG2 MET 1 HG2 MET 1 11.081 11.604 9.296
8 HG3 MET 1 HG1 MET 1 11.555 9.923 9.052
9 HE1 MET 1 HE1 MET 1 12.397 13.542 7.853
10 HE2 MET 1 HE2 MET 1 14.000 13.731 8.559
11 HE3 MET 1 HE3 MET 1 12.616 13.428 9.604
12 H VAL 2 HN VAL 2 7.437 9.516 8.511
13 HA VAL 2 HA VAL 2 8.600 6.776 8.501
14 HB VAL 2 HB VAL 2 7.731 6.582 10.943
15 HG11 VAL 2 HG11 VAL 2 10.089 6.442 10.479
16 HG12 VAL 2 HG12 VAL 2 9.891 7.570 11.819
17 HG13 VAL 2 HG13 VAL 2 10.193 8.179 10.192
18 HG21 VAL 2 HG21 VAL 2 6.553 8.773 10.974
19 HG22 VAL 2 HG22 VAL 2 8.096 9.594 10.739
20 HG23 VAL 2 HG23 VAL 2 7.795 8.689 12.221
21 H ARG 3 HN ARG 3 6.910 6.383 6.881
22 HA ARG 3 HA ARG 3 4.128 6.854 7.597
23 HB2 ARG 3 HB2 ARG 3 5.545 5.427 5.351
24 HB3 ARG 3 HB1 ARG 3 3.813 5.187 5.574
25 HG2 ARG 3 HG2 ARG 3 4.373 7.048 3.981
26 HG3 ARG 3 HG1 ARG 3 3.393 7.563 5.354
27 HD2 ARG 3 HD2 ARG 3 5.278 8.535 6.456
28 HD3 ARG 3 HD1 ARG 3 6.411 7.762 5.348
29 HE ARG 3 HE ARG 3 4.843 9.327 3.690
30 HH11 ARG 3 HH21 ARG 3 6.678 9.803 6.569
31 HH12 ARG 3 HH22 ARG 3 7.079 11.447 6.201
32 HH21 ARG 3 HH11 ARG 3 5.356 11.471 3.192
33 HH22 ARG 3 HH12 ARG 3 6.331 12.392 4.288
34 H GLN 4 HN GLN 4 5.949 5.165 9.331
35 HA GLN 4 HA GLN 4 5.455 2.448 9.332
36 HB2 GLN 4 HB2 GLN 4 5.439 4.349 11.687
37 HB3 GLN 4 HB1 GLN 4 5.491 2.593 11.845
38 HG2 GLN 4 HG2 GLN 4 7.572 2.521 10.535
39 HG3 GLN 4 HG1 GLN 4 7.520 4.274 10.344
40 HE21 GLN 4 HE21 GLN 4 6.644 2.537 13.336
41 HE22 GLN 4 HE22 GLN 4 7.917 3.164 14.267
42 H GLU 5 HN GLU 5 3.212 4.971 10.494
43 HA GLU 5 HA GLU 5 1.187 3.050 11.361
44 HB2 GLU 5 HB2 GLU 5 1.362 6.030 11.028
45 HB3 GLU 5 HB1 GLU 5 -0.252 5.324 11.084
46 HG2 GLU 5 HG2 GLU 5 1.858 4.699 13.168
47 HG3 GLU 5 HG1 GLU 5 0.730 6.045 13.331
48 H GLU 6 HN GLU 6 1.152 5.338 8.576
49 HA GLU 6 HA GLU 6 -1.159 4.241 7.356
50 HB2 GLU 6 HB2 GLU 6 1.231 5.521 5.992
51 HB3 GLU 6 HB1 GLU 6 -0.318 5.204 5.224
52 HG2 GLU 6 HG2 GLU 6 -1.207 6.607 7.364
53 HG3 GLU 6 HG1 GLU 6 0.410 7.305 7.236
54 H LEU 7 HN LEU 7 2.237 3.298 7.105
55 HA LEU 7 HA LEU 7 2.135 1.469 4.986
56 HB2 LEU 7 HB2 LEU 7 4.244 1.934 6.032
57 HB3 LEU 7 HB1 LEU 7 3.652 1.413 7.605
58 HG LEU 7 HG LEU 7 3.552 -0.906 6.859
59 HD11 LEU 7 HD11 LEU 7 2.886 -0.698 4.570
60 HD12 LEU 7 HD12 LEU 7 4.493 -1.417 4.540
61 HD13 LEU 7 HD13 LEU 7 4.285 0.298 4.183
62 HD21 LEU 7 HD21 LEU 7 5.944 -1.292 6.454
63 HD22 LEU 7 HD22 LEU 7 5.722 -0.029 7.665
64 HD23 LEU 7 HD23 LEU 7 6.153 0.403 6.011
65 H ALA 8 HN ALA 8 1.556 0.764 8.453
66 HA ALA 8 HA ALA 8 0.798 -1.930 8.188
67 HB1 ALA 8 HB1 ALA 8 1.112 -1.023 10.384
68 HB2 ALA 8 HB2 ALA 8 -0.583 -1.496 10.281
69 HB3 ALA 8 HB3 ALA 8 -0.131 0.201 10.125
70 H ALA 9 HN ALA 9 -1.092 0.994 7.596
71 HA ALA 9 HA ALA 9 -3.639 -0.356 7.390
72 HB1 ALA 9 HB1 ALA 9 -2.801 2.254 6.096
73 HB2 ALA 9 HB2 ALA 9 -3.354 2.110 7.764
74 HB3 ALA 9 HB3 ALA 9 -4.448 1.725 6.436
75 H ALA 10 HN ALA 10 -1.045 0.338 5.096
76 HA ALA 10 HA ALA 10 -2.573 -0.332 2.735
77 HB1 ALA 10 HB1 ALA 10 -0.376 -0.444 1.620
78 HB2 ALA 10 HB2 ALA 10 0.426 -0.399 3.190
79 HB3 ALA 10 HB3 ALA 10 -0.494 0.997 2.628
80 H ARG 11 HN ARG 11 -0.366 -2.187 4.834
81 HA ARG 11 HA ARG 11 -0.352 -4.589 3.318
82 HB2 ARG 11 HB2 ARG 11 -0.109 -4.093 6.296
83 HB3 ARG 11 HB1 ARG 11 0.079 -5.692 5.577
84 HG2 ARG 11 HG2 ARG 11 1.891 -4.832 4.139
85 HG3 ARG 11 HG1 ARG 11 1.711 -3.237 4.869
86 HD2 ARG 11 HD2 ARG 11 2.335 -4.109 7.050
87 HD3 ARG 11 HD1 ARG 11 2.372 -5.756 6.419
88 HE ARG 11 HE ARG 11 4.181 -4.397 4.822
89 HH11 ARG 11 HH21 ARG 11 3.660 -4.831 8.201
90 HH12 ARG 11 HH22 ARG 11 5.338 -4.707 8.611
91 HH21 ARG 11 HH11 ARG 11 6.376 -4.233 5.337
92 HH22 ARG 11 HH12 ARG 11 6.876 -4.368 6.989
93 H ALA 12 HN ALA 12 -2.643 -3.317 5.696
94 HA ALA 12 HA ALA 12 -4.248 -5.660 5.979
95 HB1 ALA 12 HB1 ALA 12 -6.037 -4.059 6.688
96 HB2 ALA 12 HB2 ALA 12 -5.001 -2.728 6.174
97 HB3 ALA 12 HB3 ALA 12 -4.499 -3.772 7.503
98 H ALA 13 HN ALA 13 -4.369 -2.977 3.643
99 HA ALA 13 HA ALA 13 -6.781 -3.687 2.351
100 HB1 ALA 13 HB1 ALA 13 -6.135 -2.243 0.629
101 HB2 ALA 13 HB2 ALA 13 -4.431 -2.691 0.752
102 HB3 ALA 13 HB3 ALA 13 -5.162 -1.650 1.974
103 H LEU 14 HN LEU 14 -3.506 -4.996 1.978
104 HA LEU 14 HA LEU 14 -4.078 -6.625 -0.321
105 HB2 LEU 14 HB2 LEU 14 -1.774 -6.276 0.203
106 HB3 LEU 14 HB1 LEU 14 -1.986 -6.793 1.867
107 HG LEU 14 HG LEU 14 -2.408 -9.115 1.094
108 HD11 LEU 14 HD11 LEU 14 -1.903 -9.614 -1.326
109 HD12 LEU 14 HD12 LEU 14 -1.942 -7.881 -1.634
110 HD13 LEU 14 HD13 LEU 14 -3.393 -8.708 -1.080
111 HD21 LEU 14 HD21 LEU 14 -0.109 -8.412 1.609
112 HD22 LEU 14 HD22 LEU 14 0.101 -7.857 -0.052
113 HD23 LEU 14 HD23 LEU 14 -0.121 -9.575 0.282
114 H HIS 15 HN HIS 15 -4.515 -7.094 3.152
115 HA HIS 15 HA HIS 15 -5.221 -9.900 2.923
116 HB2 HIS 15 HB2 HIS 15 -4.303 -8.830 5.003
117 HB3 HIS 15 HB1 HIS 15 -5.845 -7.993 5.181
118 HD1 HIS 15 HD1 HIS 15 -4.449 -11.525 5.004
119 HD2 HIS 15 HD2 HIS 15 -7.850 -9.528 6.355
120 HE1 HIS 15 HE1 HIS 15 -5.843 -13.240 6.241
121 H ASP 16 HN ASP 16 -7.083 -6.886 3.165
122 HA ASP 16 HA ASP 16 -9.575 -8.346 3.294
123 HB2 ASP 16 HB2 ASP 16 -9.268 -6.056 4.237
124 HB3 ASP 16 HB1 ASP 16 -9.149 -5.434 2.592
125 H LEU 17 HN LEU 17 -7.710 -6.925 0.634
126 HA LEU 17 HA LEU 17 -9.916 -7.197 -1.249
127 HB2 LEU 17 HB2 LEU 17 -6.956 -6.728 -1.698
128 HB3 LEU 17 HB1 LEU 17 -8.134 -6.816 -3.000
129 HG LEU 17 HG LEU 17 -8.247 -4.846 -0.697
130 HD11 LEU 17 HD11 LEU 17 -7.449 -3.199 -2.237
131 HD12 LEU 17 HD12 LEU 17 -7.622 -4.295 -3.606
132 HD13 LEU 17 HD13 LEU 17 -6.364 -4.577 -2.407
133 HD21 LEU 17 HD21 LEU 17 -10.046 -5.459 -3.031
134 HD22 LEU 17 HD22 LEU 17 -9.877 -3.777 -2.537
135 HD23 LEU 17 HD23 LEU 17 -10.473 -4.971 -1.391
136 H MET 18 HN MET 18 -7.319 -9.327 -0.198
137 HA MET 18 HA MET 18 -8.037 -11.250 -2.374
138 HB2 MET 18 HB2 MET 18 -5.673 -10.853 -2.226
139 HB3 MET 18 HB1 MET 18 -5.687 -11.095 -0.479
140 HG2 MET 18 HG2 MET 18 -5.946 -13.414 -0.668
141 HG3 MET 18 HG1 MET 18 -6.624 -13.308 -2.294
142 HE1 MET 18 HE1 MET 18 -3.814 -13.022 -4.679
143 HE2 MET 18 HE2 MET 18 -5.173 -12.004 -4.207
144 HE3 MET 18 HE3 MET 18 -5.390 -13.748 -4.334
145 H THR 19 HN THR 19 -9.050 -10.589 0.695
146 HA THR 19 HA THR 19 -9.332 -13.461 1.473
147 HB THR 19 HB THR 19 -9.821 -10.891 3.001
148 HG1 THR 19 HG1 THR 19 -8.130 -12.807 3.967
149 HG21 THR 19 HG21 THR 19 -11.455 -12.423 3.797
150 HG22 THR 19 HG22 THR 19 -10.113 -12.541 4.934
151 HG23 THR 19 HG23 THR 19 -10.335 -13.781 3.699
152 H GLY 20 HN GLY 20 -11.174 -10.740 0.262
153 HA2 GLY 20 HA2 GLY 20 -13.375 -12.256 -0.563
154 HA3 GLY 20 HA1 GLY 20 -13.766 -11.737 1.075
155 H LYS 21 HN LYS 21 -13.611 -9.331 1.477
156 HA LYS 21 HA LYS 21 -15.264 -7.825 -0.150
157 HB2 LYS 21 HB2 LYS 21 -12.878 -6.614 1.261
158 HB3 LYS 21 HB1 LYS 21 -14.438 -5.858 0.940
159 HG2 LYS 21 HG2 LYS 21 -15.449 -7.771 2.356
160 HG3 LYS 21 HG1 LYS 21 -13.796 -8.064 2.901
161 HD2 LYS 21 HD2 LYS 21 -13.630 -5.741 3.694
162 HD3 LYS 21 HD1 LYS 21 -15.266 -5.420 3.119
163 HE2 LYS 21 HE2 LYS 21 -14.553 -7.513 5.193
164 HE3 LYS 21 HE1 LYS 21 -15.195 -5.913 5.563
165 HZ1 LYS 21 HZ1 LYS 21 -16.520 -8.188 4.257
166 HZ2 LYS 21 HZ2 LYS 21 -17.035 -6.608 3.901
167 HZ3 LYS 21 HZ3 LYS 21 -17.088 -7.184 5.499
168 H ARG 22 HN ARG 22 -15.102 -6.860 -2.117
169 HA ARG 22 HA ARG 22 -12.543 -7.120 -3.591
170 HB2 ARG 22 HB2 ARG 22 -14.118 -6.200 -5.488
171 HB3 ARG 22 HB1 ARG 22 -14.300 -7.865 -4.942
172 HG2 ARG 22 HG2 ARG 22 -15.886 -5.778 -3.479
173 HG3 ARG 22 HG1 ARG 22 -16.399 -6.171 -5.118
174 HD2 ARG 22 HD2 ARG 22 -16.772 -8.454 -4.572
175 HD3 ARG 22 HD1 ARG 22 -15.883 -8.323 -3.056
176 HE ARG 22 HE ARG 22 -17.963 -6.517 -2.759
177 HH11 ARG 22 HH21 ARG 22 -17.634 -9.841 -3.610
178 HH12 ARG 22 HH22 ARG 22 -19.165 -10.302 -2.944
179 HH21 ARG 22 HH11 ARG 22 -19.965 -7.098 -1.885
180 HH22 ARG 22 HH12 ARG 22 -20.485 -8.749 -1.967
181 H VAL 23 HN VAL 23 -14.332 -4.717 -1.912
182 HA VAL 23 HA VAL 23 -12.830 -2.528 -3.319
183 HB VAL 23 HB VAL 23 -15.445 -2.629 -3.265
184 HG11 VAL 23 HG11 VAL 23 -15.462 -2.990 -0.736
185 HG12 VAL 23 HG12 VAL 23 -16.524 -1.723 -1.342
186 HG13 VAL 23 HG13 VAL 23 -14.989 -1.298 -0.588
187 HG21 VAL 23 HG21 VAL 23 -14.161 -0.718 -4.096
188 HG22 VAL 23 HG22 VAL 23 -13.922 -0.139 -2.447
189 HG23 VAL 23 HG23 VAL 23 -15.539 -0.156 -3.150
190 H ALA 24 HN ALA 24 -11.721 -0.997 -2.105
191 HA ALA 24 HA ALA 24 -11.724 -1.146 0.843
192 HB1 ALA 24 HB1 ALA 24 -9.235 -1.698 -0.808
193 HB2 ALA 24 HB2 ALA 24 -10.047 -2.838 0.266
194 HB3 ALA 24 HB3 ALA 24 -9.243 -1.418 0.932
195 H THR 25 HN THR 25 -11.284 0.877 1.697
196 HA THR 25 HA THR 25 -10.535 3.040 -0.248
197 HB THR 25 HB THR 25 -11.554 4.523 1.589
198 HG1 THR 25 HG1 THR 25 -11.631 3.124 3.278
199 HG21 THR 25 HG21 THR 25 -13.930 3.776 0.921
200 HG22 THR 25 HG22 THR 25 -13.130 2.537 -0.047
201 HG23 THR 25 HG23 THR 25 -12.832 4.245 -0.376
202 H VAL 26 HN VAL 26 -9.056 4.704 0.518
203 HA VAL 26 HA VAL 26 -7.528 4.108 3.001
204 HB VAL 26 HB VAL 26 -6.056 4.722 0.425
205 HG11 VAL 26 HG11 VAL 26 -5.263 3.533 3.101
206 HG12 VAL 26 HG12 VAL 26 -4.835 5.132 2.492
207 HG13 VAL 26 HG13 VAL 26 -4.183 3.690 1.716
208 HG21 VAL 26 HG21 VAL 26 -5.506 2.206 0.511
209 HG22 VAL 26 HG22 VAL 26 -7.094 2.660 -0.102
210 HG23 VAL 26 HG23 VAL 26 -6.925 2.052 1.545
211 H GLN 27 HN GLN 27 -6.988 5.981 4.058
212 HA GLN 27 HA GLN 27 -7.868 8.525 2.853
213 HB2 GLN 27 HB2 GLN 27 -6.766 7.824 5.596
214 HB3 GLN 27 HB1 GLN 27 -7.284 9.443 5.124
215 HG2 GLN 27 HG2 GLN 27 -9.546 8.587 4.643
216 HG3 GLN 27 HG1 GLN 27 -9.032 6.965 5.106
217 HE21 GLN 27 HE21 GLN 27 -8.702 6.521 7.385
218 HE22 GLN 27 HE22 GLN 27 -9.195 7.609 8.591
219 H LYS 28 HN LYS 28 -6.373 9.261 1.374
220 HA LYS 28 HA LYS 28 -3.566 9.673 2.359
221 HB2 LYS 28 HB2 LYS 28 -4.167 9.078 -0.541
222 HB3 LYS 28 HB1 LYS 28 -2.639 8.933 0.329
223 HG2 LYS 28 HG2 LYS 28 -3.775 7.120 1.733
224 HG3 LYS 28 HG1 LYS 28 -5.063 7.141 0.529
225 HD2 LYS 28 HD2 LYS 28 -2.131 6.675 -0.094
226 HD3 LYS 28 HD1 LYS 28 -3.341 5.400 0.051
227 HE2 LYS 28 HE2 LYS 28 -4.665 6.708 -1.742
228 HE3 LYS 28 HE1 LYS 28 -3.159 7.577 -2.032
229 HZ1 LYS 28 HZ1 LYS 28 -3.893 5.095 -3.018
230 HZ2 LYS 28 HZ2 LYS 28 -2.657 4.805 -1.890
231 HZ3 LYS 28 HZ3 LYS 28 -2.393 5.871 -3.186
232 H ASP 29 HN ASP 29 -3.105 11.799 2.348
233 HA ASP 29 HA ASP 29 -3.272 14.091 1.862
234 HB2 ASP 29 HB2 ASP 29 -3.913 13.099 -0.933
235 HB3 ASP 29 HB1 ASP 29 -3.210 14.656 -0.492
236 H GLY 30 HN GLY 30 -5.518 13.459 3.132
237 HA2 GLY 30 HA2 GLY 30 -7.838 13.835 3.316
238 HA3 GLY 30 HA1 GLY 30 -7.461 15.288 2.388
239 H ARG 31 HN ARG 31 -6.720 12.350 0.731
240 HA ARG 31 HA ARG 31 -9.276 12.577 -0.842
241 HB2 ARG 31 HB2 ARG 31 -6.405 12.256 -1.699
242 HB3 ARG 31 HB1 ARG 31 -7.684 11.588 -2.710
243 HG2 ARG 31 HG2 ARG 31 -8.754 13.778 -2.863
244 HG3 ARG 31 HG1 ARG 31 -7.544 14.470 -1.783
245 HD2 ARG 31 HD2 ARG 31 -7.027 13.268 -4.518
246 HD3 ARG 31 HD1 ARG 31 -6.956 14.981 -4.101
247 HE ARG 31 HE ARG 31 -5.155 13.804 -2.357
248 HH11 ARG 31 HH21 ARG 31 -5.704 13.810 -5.761
249 HH12 ARG 31 HH22 ARG 31 -4.032 13.605 -6.166
250 HH21 ARG 31 HH11 ARG 31 -2.968 13.537 -2.867
251 HH22 ARG 31 HH12 ARG 31 -2.483 13.451 -4.527
252 H ARG 32 HN ARG 32 -10.433 10.765 -1.008
253 HA ARG 32 HA ARG 32 -9.328 8.228 0.098
254 HB2 ARG 32 HB2 ARG 32 -12.138 9.111 -0.640
255 HB3 ARG 32 HB1 ARG 32 -11.737 7.504 -0.032
256 HG2 ARG 32 HG2 ARG 32 -11.288 8.265 2.116
257 HG3 ARG 32 HG1 ARG 32 -10.775 9.860 1.565
258 HD2 ARG 32 HD2 ARG 32 -13.650 8.936 1.400
259 HD3 ARG 32 HD1 ARG 32 -13.000 9.783 2.803
260 HE ARG 32 HE ARG 32 -12.296 11.401 0.667
261 HH11 ARG 32 HH21 ARG 32 -15.187 9.960 1.873
262 HH12 ARG 32 HH22 ARG 32 -16.217 11.230 1.302
263 HH21 ARG 32 HH11 ARG 32 -13.625 13.067 -0.088
264 HH22 ARG 32 HH12 ARG 32 -15.332 12.988 0.191
265 H VAL 33 HN VAL 33 -8.888 6.508 -1.290
266 HA VAL 33 HA VAL 33 -9.853 6.710 -4.135
267 HB VAL 33 HB VAL 33 -7.103 5.759 -3.263
268 HG11 VAL 33 HG11 VAL 33 -8.408 6.189 -5.974
269 HG12 VAL 33 HG12 VAL 33 -7.936 4.641 -5.275
270 HG13 VAL 33 HG13 VAL 33 -6.703 5.813 -5.740
271 HG21 VAL 33 HG21 VAL 33 -6.977 8.118 -3.036
272 HG22 VAL 33 HG22 VAL 33 -8.110 8.400 -4.356
273 HG23 VAL 33 HG23 VAL 33 -6.466 7.868 -4.702
274 H GLU 34 HN GLU 34 -10.434 4.803 -5.082
275 HA GLU 34 HA GLU 34 -10.751 2.484 -3.227
276 HB2 GLU 34 HB2 GLU 34 -12.061 2.738 -5.934
277 HB3 GLU 34 HB1 GLU 34 -12.605 1.839 -4.519
278 HG2 GLU 34 HG2 GLU 34 -14.005 3.740 -4.547
279 HG3 GLU 34 HG1 GLU 34 -12.771 4.146 -3.357
280 H PHE 35 HN PHE 35 -10.301 0.351 -3.984
281 HA PHE 35 HA PHE 35 -8.590 0.056 -6.418
282 HB2 PHE 35 HB2 PHE 35 -7.867 -0.597 -3.559
283 HB3 PHE 35 HB1 PHE 35 -7.159 -1.504 -4.896
284 HD1 PHE 35 HD2 PHE 35 -6.306 0.067 -6.905
285 HD2 PHE 35 HD1 PHE 35 -6.671 1.269 -2.804
286 HE1 PHE 35 HE2 PHE 35 -4.630 1.851 -7.288
287 HE2 PHE 35 HE1 PHE 35 -4.982 3.050 -3.179
288 HZ PHE 35 HZ PHE 35 -3.970 3.348 -5.423
289 H THR 36 HN THR 36 -9.050 -1.846 -7.471
290 HA THR 36 HA THR 36 -10.867 -3.800 -6.080
291 HB THR 36 HB THR 36 -11.586 -4.337 -8.488
292 HG1 THR 36 HG1 THR 36 -11.034 -1.823 -9.307
293 HG21 THR 36 HG21 THR 36 -12.191 -1.570 -7.413
294 HG22 THR 36 HG22 THR 36 -12.955 -3.058 -6.853
295 HG23 THR 36 HG23 THR 36 -13.203 -2.509 -8.511
296 H ALA 37 HN ALA 37 -10.503 -6.029 -6.549
297 HA ALA 37 HA ALA 37 -7.889 -6.942 -6.534
298 HB1 ALA 37 HB1 ALA 37 -10.223 -8.345 -7.862
299 HB2 ALA 37 HB2 ALA 37 -9.869 -8.376 -6.135
300 HB3 ALA 37 HB3 ALA 37 -8.749 -9.115 -7.278
301 H THR 38 HN THR 38 -9.529 -5.597 -9.281
302 HA THR 38 HA THR 38 -8.001 -6.945 -11.317
303 HB THR 38 HB THR 38 -8.729 -4.844 -12.681
304 HG1 THR 38 HG1 THR 38 -10.102 -3.510 -11.692
305 HG21 THR 38 HG21 THR 38 -11.159 -5.668 -12.610
306 HG22 THR 38 HG22 THR 38 -10.619 -6.811 -11.382
307 HG23 THR 38 HG23 THR 38 -9.930 -6.868 -13.003
308 H SER 39 HN SER 39 -7.308 -4.240 -9.190
309 HA SER 39 HA SER 39 -4.825 -3.655 -10.794
310 HB2 SER 39 HB2 SER 39 -4.804 -1.485 -9.681
311 HB3 SER 39 HB1 SER 39 -6.353 -1.733 -10.475
312 HG SER 39 HG SER 39 -6.408 -2.749 -7.987
313 H VAL 40 HN VAL 40 -5.506 -5.720 -8.529
314 HA VAL 40 HA VAL 40 -4.103 -5.121 -6.178
315 HB VAL 40 HB VAL 40 -5.411 -7.229 -6.676
316 HG11 VAL 40 HG11 VAL 40 -4.328 -7.728 -8.859
317 HG12 VAL 40 HG12 VAL 40 -4.278 -9.095 -7.751
318 HG13 VAL 40 HG13 VAL 40 -2.834 -8.119 -8.004
319 HG21 VAL 40 HG21 VAL 40 -2.618 -7.751 -5.614
320 HG22 VAL 40 HG22 VAL 40 -4.080 -8.664 -5.240
321 HG23 VAL 40 HG23 VAL 40 -3.913 -7.004 -4.677
322 H SER 41 HN SER 41 -2.852 -5.211 -9.340
323 HA SER 41 HA SER 41 -0.118 -5.962 -8.550
324 HB2 SER 41 HB2 SER 41 -1.164 -4.836 -11.161
325 HB3 SER 41 HB1 SER 41 0.435 -5.526 -10.899
326 HG SER 41 HG SER 41 -0.635 -7.489 -10.320
327 H ASP 42 HN ASP 42 -1.657 -2.968 -9.846
328 HA ASP 42 HA ASP 42 0.673 -1.370 -9.529
329 HB2 ASP 42 HB2 ASP 42 -0.740 0.553 -9.772
330 HB3 ASP 42 HB1 ASP 42 -1.404 -0.708 -10.808
331 H LEU 43 HN LEU 43 -1.615 -2.554 -7.173
332 HA LEU 43 HA LEU 43 -0.893 -0.598 -5.139
333 HB2 LEU 43 HB2 LEU 43 -3.047 -1.881 -5.093
334 HB3 LEU 43 HB1 LEU 43 -2.113 -3.343 -4.796
335 HG LEU 43 HG LEU 43 -1.105 -1.922 -2.778
336 HD11 LEU 43 HD11 LEU 43 -2.454 -0.225 -1.917
337 HD12 LEU 43 HD12 LEU 43 -3.870 -0.747 -2.824
338 HD13 LEU 43 HD13 LEU 43 -2.556 0.080 -3.649
339 HD21 LEU 43 HD21 LEU 43 -2.409 -4.017 -2.570
340 HD22 LEU 43 HD22 LEU 43 -3.903 -3.092 -2.696
341 HD23 LEU 43 HD23 LEU 43 -2.836 -2.859 -1.311
342 H LYS 44 HN LYS 44 0.116 -3.904 -6.009
343 HA LYS 44 HA LYS 44 1.828 -4.459 -3.846
344 HB2 LYS 44 HB2 LYS 44 1.726 -5.247 -6.723
345 HB3 LYS 44 HB1 LYS 44 3.278 -5.498 -5.930
346 HG2 LYS 44 HG2 LYS 44 2.140 -6.793 -4.147
347 HG3 LYS 44 HG1 LYS 44 0.604 -6.578 -4.988
348 HD2 LYS 44 HD2 LYS 44 1.307 -7.880 -6.845
349 HD3 LYS 44 HD1 LYS 44 3.004 -7.787 -6.373
350 HE2 LYS 44 HE2 LYS 44 2.445 -9.106 -4.314
351 HE3 LYS 44 HE1 LYS 44 0.806 -9.301 -4.937
352 HZ1 LYS 44 HZ1 LYS 44 1.863 -11.187 -5.688
353 HZ2 LYS 44 HZ2 LYS 44 3.332 -10.388 -5.988
354 HZ3 LYS 44 HZ3 LYS 44 2.010 -10.159 -7.028
355 H LYS 45 HN LYS 45 2.383 -2.369 -6.662
356 HA LYS 45 HA LYS 45 5.171 -1.873 -5.999
357 HB2 LYS 45 HB2 LYS 45 3.173 -0.671 -7.904
358 HB3 LYS 45 HB1 LYS 45 4.682 0.187 -7.594
359 HG2 LYS 45 HG2 LYS 45 4.959 -1.269 -9.531
360 HG3 LYS 45 HG1 LYS 45 5.943 -1.869 -8.198
361 HD2 LYS 45 HD2 LYS 45 4.319 -3.577 -7.674
362 HD3 LYS 45 HD1 LYS 45 3.164 -2.899 -8.824
363 HE2 LYS 45 HE2 LYS 45 4.424 -4.913 -9.683
364 HE3 LYS 45 HE1 LYS 45 4.580 -3.475 -10.692
365 HZ1 LYS 45 HZ1 LYS 45 6.537 -4.385 -8.652
366 HZ2 LYS 45 HZ2 LYS 45 6.684 -2.986 -9.605
367 HZ3 LYS 45 HZ3 LYS 45 6.721 -4.521 -10.333
368 H TYR 46 HN TYR 46 2.158 -0.018 -5.520
369 HA TYR 46 HA TYR 46 3.233 2.283 -4.328
370 HB2 TYR 46 HB2 TYR 46 0.820 1.902 -4.852
371 HB3 TYR 46 HB1 TYR 46 0.731 0.807 -3.478
372 HD1 TYR 46 HD2 TYR 46 2.039 4.269 -4.180
373 HD2 TYR 46 HD1 TYR 46 -0.184 1.715 -1.530
374 HE1 TYR 46 HE2 TYR 46 1.596 6.197 -2.687
375 HE2 TYR 46 HE1 TYR 46 -0.640 3.649 -0.048
376 HH TYR 46 HH TYR 46 1.009 6.318 0.040
377 H ILE 47 HN ILE 47 2.993 -0.968 -3.084
378 HA ILE 47 HA ILE 47 3.532 -0.188 -0.310
379 HB ILE 47 HB ILE 47 3.541 -2.881 -1.701
380 HG12 ILE 47 HG12 ILE 47 1.649 -1.737 0.378
381 HG13 ILE 47 HG11 ILE 47 1.343 -1.649 -1.356
382 HG21 ILE 47 HG21 ILE 47 3.510 -3.704 0.747
383 HG22 ILE 47 HG22 ILE 47 4.088 -2.092 1.169
384 HG23 ILE 47 HG23 ILE 47 5.056 -3.129 0.121
385 HD11 ILE 47 HD11 ILE 47 1.834 -4.230 0.152
386 HD12 ILE 47 HD12 ILE 47 1.347 -4.070 -1.536
387 HD13 ILE 47 HD13 ILE 47 0.234 -3.607 -0.248
388 H ALA 48 HN ALA 48 5.379 -1.325 -3.092
389 HA ALA 48 HA ALA 48 7.849 -1.672 -1.612
390 HB1 ALA 48 HB1 ALA 48 7.392 -1.267 -4.582
391 HB2 ALA 48 HB2 ALA 48 7.444 -2.824 -3.756
392 HB3 ALA 48 HB3 ALA 48 8.893 -1.822 -3.842
393 H GLU 49 HN GLU 49 6.465 0.942 -3.590
394 HA GLU 49 HA GLU 49 8.758 2.636 -3.542
395 HB2 GLU 49 HB2 GLU 49 6.699 2.883 -5.018
396 HB3 GLU 49 HB1 GLU 49 5.894 3.603 -3.626
397 HG2 GLU 49 HG2 GLU 49 6.796 5.428 -4.878
398 HG3 GLU 49 HG1 GLU 49 7.856 5.222 -3.484
399 H LEU 50 HN LEU 50 6.099 2.235 -1.205
400 HA LEU 50 HA LEU 50 6.928 4.549 0.351
401 HB2 LEU 50 HB2 LEU 50 5.158 2.186 1.075
402 HB3 LEU 50 HB1 LEU 50 5.581 3.439 2.234
403 HG LEU 50 HG LEU 50 4.210 3.948 -0.428
404 HD11 LEU 50 HD11 LEU 50 3.177 3.573 2.387
405 HD12 LEU 50 HD12 LEU 50 2.562 2.893 0.882
406 HD13 LEU 50 HD13 LEU 50 2.300 4.594 1.246
407 HD21 LEU 50 HD21 LEU 50 3.732 6.178 1.017
408 HD22 LEU 50 HD22 LEU 50 5.176 6.012 0.026
409 HD23 LEU 50 HD23 LEU 50 5.263 5.716 1.763
410 H GLU 51 HN GLU 51 7.843 1.143 0.318
411 HA GLU 51 HA GLU 51 9.222 1.151 2.827
412 HB2 GLU 51 HB2 GLU 51 9.651 -0.492 0.315
413 HB3 GLU 51 HB1 GLU 51 10.575 -0.743 1.793
414 HG2 GLU 51 HG2 GLU 51 8.615 -1.310 3.028
415 HG3 GLU 51 HG1 GLU 51 7.555 -0.753 1.733
416 H VAL 52 HN VAL 52 10.106 2.361 -0.370
417 HA VAL 52 HA VAL 52 12.920 2.741 0.386
418 HB VAL 52 HB VAL 52 11.319 3.665 -2.020
419 HG11 VAL 52 HG11 VAL 52 14.237 3.996 -1.293
420 HG12 VAL 52 HG12 VAL 52 13.088 5.247 -1.769
421 HG13 VAL 52 HG13 VAL 52 13.666 4.082 -2.960
422 HG21 VAL 52 HG21 VAL 52 13.263 1.405 -1.500
423 HG22 VAL 52 HG22 VAL 52 12.902 1.968 -3.131
424 HG23 VAL 52 HG23 VAL 52 11.618 1.303 -2.126
425 H GLN 53 HN GLN 53 9.961 4.560 0.608
426 HA GLN 53 HA GLN 53 11.421 7.120 0.968
427 HB2 GLN 53 HB2 GLN 53 8.481 6.394 0.895
428 HB3 GLN 53 HB1 GLN 53 9.050 8.004 1.340
429 HG2 GLN 53 HG2 GLN 53 9.851 6.623 -1.234
430 HG3 GLN 53 HG1 GLN 53 8.469 7.713 -1.115
431 HE21 GLN 53 HE21 GLN 53 8.953 9.999 -0.427
432 HE22 GLN 53 HE22 GLN 53 10.487 10.651 -0.748
433 H THR 54 HN THR 54 10.516 4.476 2.824
434 HA THR 54 HA THR 54 10.556 6.101 5.348
435 HB THR 54 HB THR 54 8.689 4.093 4.367
436 HG1 THR 54 HG1 THR 54 8.335 5.167 6.856
437 HG21 THR 54 HG21 THR 54 9.975 3.552 7.065
438 HG22 THR 54 HG22 THR 54 9.945 2.463 5.677
439 HG23 THR 54 HG23 THR 54 8.449 2.851 6.527
440 H GLY 55 HN GLY 55 11.574 3.104 3.738
441 HA2 GLY 55 HA2 GLY 55 13.252 2.266 5.966
442 HA3 GLY 55 HA1 GLY 55 13.242 1.555 4.349
443 H MET 56 HN MET 56 15.716 1.641 4.789
444 HA MET 56 HA MET 56 16.758 4.171 3.619
445 HB2 MET 56 HB2 MET 56 16.951 4.168 6.190
446 HB3 MET 56 HB1 MET 56 18.134 2.876 5.981
447 HG2 MET 56 HG2 MET 56 19.440 4.355 4.463
448 HG3 MET 56 HG1 MET 56 18.286 5.652 4.770
449 HE1 MET 56 HE1 MET 56 21.331 6.921 6.717
450 HE2 MET 56 HE2 MET 56 19.947 7.387 5.730
451 HE3 MET 56 HE3 MET 56 21.121 6.235 5.099
452 H THR 57 HN THR 57 16.440 1.958 2.127
453 HA THR 57 HA THR 57 18.892 0.309 2.208
454 HB THR 57 HB THR 57 16.648 -0.666 1.616
455 HG1 THR 57 HG1 THR 57 18.757 -1.443 0.831
456 HG21 THR 57 HG21 THR 57 16.993 0.847 -0.989
457 HG22 THR 57 HG22 THR 57 15.932 1.393 0.311
458 HG23 THR 57 HG23 THR 57 15.620 -0.145 -0.492
459 H GLN 58 HN GLN 58 17.556 3.023 0.458
460 HA GLN 58 HA GLN 58 19.046 3.001 -1.897
461 HB2 GLN 58 HB2 GLN 58 17.307 4.746 -0.915
462 HB3 GLN 58 HB1 GLN 58 18.756 5.591 -0.376
463 HG2 GLN 58 HG2 GLN 58 18.227 4.730 -3.239
464 HG3 GLN 58 HG1 GLN 58 17.972 6.359 -2.617
465 HE21 GLN 58 HE21 GLN 58 20.257 4.402 -4.154
466 HE22 GLN 58 HE22 GLN 58 21.648 5.306 -3.793
467 H ARG 59 HN ARG 59 20.133 3.424 1.354
468 HA ARG 59 HA ARG 59 22.484 4.891 1.137
469 HB2 ARG 59 HB2 ARG 59 23.307 3.656 3.036
470 HB3 ARG 59 HB1 ARG 59 21.557 3.787 3.215
471 HG2 ARG 59 HG2 ARG 59 21.380 1.507 2.110
472 HG3 ARG 59 HG1 ARG 59 23.132 1.380 2.267
473 HD2 ARG 59 HD2 ARG 59 22.970 1.639 4.692
474 HD3 ARG 59 HD1 ARG 59 21.224 1.860 4.572
475 HE ARG 59 HE ARG 59 21.661 -0.593 3.363
476 HH11 ARG 59 HH21 ARG 59 22.473 0.897 6.364
477 HH12 ARG 59 HH22 ARG 59 22.457 -0.587 7.257
478 HH21 ARG 59 HH11 ARG 59 21.636 -2.539 4.511
479 HH22 ARG 59 HH12 ARG 59 21.983 -2.533 6.208
480 H ARG 60 HN ARG 60 24.759 4.103 0.926
481 HA ARG 60 HA ARG 60 25.342 2.967 -1.547
482 HB2 ARG 60 HB2 ARG 60 27.109 2.411 0.850
483 HB3 ARG 60 HB1 ARG 60 27.586 2.644 -0.828
484 HG2 ARG 60 HG2 ARG 60 26.373 4.782 0.949
485 HG3 ARG 60 HG1 ARG 60 28.074 4.654 0.519
486 HD2 ARG 60 HD2 ARG 60 27.252 6.213 -1.038
487 HD3 ARG 60 HD1 ARG 60 27.233 4.701 -1.945
488 HE ARG 60 HE ARG 60 24.709 4.825 -0.807
489 HH11 ARG 60 HH21 ARG 60 26.698 6.891 -2.718
490 HH12 ARG 60 HH22 ARG 60 25.364 7.655 -3.518
491 HH21 ARG 60 HH11 ARG 60 22.957 5.808 -1.841
492 HH22 ARG 60 HH12 ARG 60 23.247 7.042 -3.021
493 H ARG 61 HN ARG 61 25.941 1.066 1.423
494 HA ARG 61 HA ARG 61 24.322 -1.165 0.555
495 HB2 ARG 61 HB2 ARG 61 26.270 -2.730 0.177
496 HB3 ARG 61 HB1 ARG 61 26.060 -1.517 -1.085
497 HG2 ARG 61 HG2 ARG 61 27.794 -0.118 -0.066
498 HG3 ARG 61 HG1 ARG 61 27.979 -1.275 1.252
499 HD2 ARG 61 HD2 ARG 61 28.748 -2.989 -0.291
500 HD3 ARG 61 HD1 ARG 61 28.428 -1.940 -1.672
501 HE ARG 61 HE ARG 61 30.196 -0.471 -0.127
502 HH11 ARG 61 HH21 ARG 61 30.084 -3.646 -1.466
503 HH12 ARG 61 HH22 ARG 61 31.800 -3.767 -1.665
504 HH21 ARG 61 HH11 ARG 61 32.437 -0.611 -0.378
505 HH22 ARG 61 HH12 ARG 61 33.133 -2.048 -1.049
506 H GLY 62 HN GLY 62 25.559 0.580 2.899
507 HA2 GLY 62 HA2 GLY 62 25.041 -1.284 4.983
508 HA3 GLY 62 HA1 GLY 62 26.786 -1.224 4.730
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 8.447 12.612 8.231
2 H2 MET 1 HT2 MET 1 10.090 12.745 7.820
3 H3 MET 1 HT3 MET 1 9.576 11.539 8.902
4 HA MET 1 HA MET 1 8.191 11.396 6.406
5 HB2 MET 1 HB2 MET 1 10.412 12.308 5.655
6 HB3 MET 1 HB1 MET 1 11.182 10.903 6.394
7 HG2 MET 1 HG2 MET 1 9.892 9.403 4.943
8 HG3 MET 1 HG1 MET 1 9.060 10.785 4.231
9 HE1 MET 1 HE1 MET 1 11.375 12.422 1.878
10 HE2 MET 1 HE2 MET 1 10.622 12.933 3.386
11 HE3 MET 1 HE3 MET 1 9.721 11.922 2.258
12 H VAL 2 HN VAL 2 7.140 9.931 7.980
13 HA VAL 2 HA VAL 2 8.480 7.273 8.003
14 HB VAL 2 HB VAL 2 7.558 7.033 10.429
15 HG11 VAL 2 HG11 VAL 2 9.931 7.013 10.028
16 HG12 VAL 2 HG12 VAL 2 9.642 8.145 11.348
17 HG13 VAL 2 HG13 VAL 2 9.952 8.750 9.721
18 HG21 VAL 2 HG21 VAL 2 6.268 9.161 10.421
19 HG22 VAL 2 HG22 VAL 2 7.771 10.058 10.221
20 HG23 VAL 2 HG23 VAL 2 7.480 9.142 11.698
21 H ARG 3 HN ARG 3 6.897 6.611 6.421
22 HA ARG 3 HA ARG 3 4.064 7.006 6.962
23 HB2 ARG 3 HB2 ARG 3 5.670 5.511 4.900
24 HB3 ARG 3 HB1 ARG 3 3.956 5.134 5.073
25 HG2 ARG 3 HG2 ARG 3 4.430 6.907 3.357
26 HG3 ARG 3 HG1 ARG 3 3.342 7.436 4.639
27 HD2 ARG 3 HD2 ARG 3 5.035 8.708 5.707
28 HD3 ARG 3 HD1 ARG 3 6.321 7.899 4.809
29 HE ARG 3 HE ARG 3 4.806 9.122 2.839
30 HH11 ARG 3 HH21 ARG 3 6.347 10.081 5.768
31 HH12 ARG 3 HH22 ARG 3 6.665 11.696 5.228
32 HH21 ARG 3 HH11 ARG 3 5.210 11.225 2.117
33 HH22 ARG 3 HH12 ARG 3 6.021 12.344 3.161
34 H GLN 4 HN GLN 4 5.888 5.540 8.898
35 HA GLN 4 HA GLN 4 5.462 2.808 9.093
36 HB2 GLN 4 HB2 GLN 4 5.364 4.870 11.307
37 HB3 GLN 4 HB1 GLN 4 5.493 3.131 11.575
38 HG2 GLN 4 HG2 GLN 4 7.443 4.695 9.866
39 HG3 GLN 4 HG1 GLN 4 7.705 4.367 11.580
40 HE21 GLN 4 HE21 GLN 4 7.094 1.793 12.005
41 HE22 GLN 4 HE22 GLN 4 7.919 0.744 10.955
42 H GLU 5 HN GLU 5 3.190 5.356 10.175
43 HA GLU 5 HA GLU 5 1.179 3.499 11.135
44 HB2 GLU 5 HB2 GLU 5 1.062 6.410 10.292
45 HB3 GLU 5 HB1 GLU 5 -0.308 5.546 10.993
46 HG2 GLU 5 HG2 GLU 5 0.870 6.725 12.769
47 HG3 GLU 5 HG1 GLU 5 1.120 4.991 12.974
48 H GLU 6 HN GLU 6 1.160 5.525 8.156
49 HA GLU 6 HA GLU 6 -1.182 4.301 7.079
50 HB2 GLU 6 HB2 GLU 6 1.121 5.581 5.575
51 HB3 GLU 6 HB1 GLU 6 -0.438 5.169 4.876
52 HG2 GLU 6 HG2 GLU 6 -1.324 6.660 6.945
53 HG3 GLU 6 HG1 GLU 6 0.270 7.396 6.760
54 H LEU 7 HN LEU 7 2.226 3.423 6.885
55 HA LEU 7 HA LEU 7 2.187 1.490 4.851
56 HB2 LEU 7 HB2 LEU 7 4.272 2.026 5.920
57 HB3 LEU 7 HB1 LEU 7 3.649 1.576 7.503
58 HG LEU 7 HG LEU 7 3.596 -0.771 6.889
59 HD11 LEU 7 HD11 LEU 7 4.288 0.287 4.143
60 HD12 LEU 7 HD12 LEU 7 2.916 -0.716 4.602
61 HD13 LEU 7 HD13 LEU 7 4.540 -1.398 4.591
62 HD21 LEU 7 HD21 LEU 7 6.173 0.550 5.992
63 HD22 LEU 7 HD22 LEU 7 6.002 -1.146 6.442
64 HD23 LEU 7 HD23 LEU 7 5.756 0.115 7.648
65 H ALA 8 HN ALA 8 1.564 0.970 8.335
66 HA ALA 8 HA ALA 8 0.835 -1.740 8.232
67 HB1 ALA 8 HB1 ALA 8 -0.032 0.529 10.025
68 HB2 ALA 8 HB2 ALA 8 1.091 -0.783 10.381
69 HB3 ALA 8 HB3 ALA 8 -0.637 -1.112 10.263
70 H ALA 9 HN ALA 9 -1.251 1.126 7.794
71 HA ALA 9 HA ALA 9 -3.695 -0.309 7.481
72 HB1 ALA 9 HB1 ALA 9 -4.571 1.727 6.504
73 HB2 ALA 9 HB2 ALA 9 -2.944 2.302 6.140
74 HB3 ALA 9 HB3 ALA 9 -3.481 2.174 7.815
75 H ALA 10 HN ALA 10 -1.144 0.502 5.163
76 HA ALA 10 HA ALA 10 -2.596 -0.247 2.804
77 HB1 ALA 10 HB1 ALA 10 -0.462 1.066 2.816
78 HB2 ALA 10 HB2 ALA 10 -0.426 -0.306 1.708
79 HB3 ALA 10 HB3 ALA 10 0.396 -0.408 3.266
80 H ARG 11 HN ARG 11 -0.406 -2.088 4.937
81 HA ARG 11 HA ARG 11 -0.391 -4.508 3.466
82 HB2 ARG 11 HB2 ARG 11 -0.188 -3.949 6.432
83 HB3 ARG 11 HB1 ARG 11 -0.034 -5.576 5.770
84 HG2 ARG 11 HG2 ARG 11 1.798 -4.766 4.289
85 HG3 ARG 11 HG1 ARG 11 1.685 -3.183 5.059
86 HD2 ARG 11 HD2 ARG 11 2.162 -4.251 7.257
87 HD3 ARG 11 HD1 ARG 11 2.366 -5.798 6.433
88 HE ARG 11 HE ARG 11 4.117 -4.111 5.108
89 HH11 ARG 11 HH21 ARG 11 3.495 -4.996 8.382
90 HH12 ARG 11 HH22 ARG 11 5.138 -4.789 8.889
91 HH21 ARG 11 HH11 ARG 11 6.266 -3.838 5.752
92 HH22 ARG 11 HH12 ARG 11 6.708 -4.134 7.400
93 H ALA 12 HN ALA 12 -2.775 -3.158 5.685
94 HA ALA 12 HA ALA 12 -4.369 -5.535 5.959
95 HB1 ALA 12 HB1 ALA 12 -6.160 -3.952 6.679
96 HB2 ALA 12 HB2 ALA 12 -5.133 -2.607 6.181
97 HB3 ALA 12 HB3 ALA 12 -4.629 -3.658 7.504
98 H ALA 13 HN ALA 13 -4.276 -2.939 3.559
99 HA ALA 13 HA ALA 13 -6.741 -3.588 2.262
100 HB1 ALA 13 HB1 ALA 13 -5.140 -1.528 1.958
101 HB2 ALA 13 HB2 ALA 13 -6.089 -2.099 0.585
102 HB3 ALA 13 HB3 ALA 13 -4.381 -2.531 0.723
103 H LEU 14 HN LEU 14 -3.497 -4.942 2.024
104 HA LEU 14 HA LEU 14 -4.004 -6.476 -0.375
105 HB2 LEU 14 HB2 LEU 14 -1.714 -6.114 0.145
106 HB3 LEU 14 HB1 LEU 14 -1.915 -6.623 1.813
107 HG LEU 14 HG LEU 14 -2.278 -8.960 1.055
108 HD11 LEU 14 HD11 LEU 14 -1.795 -9.487 -1.345
109 HD12 LEU 14 HD12 LEU 14 -1.790 -7.760 -1.689
110 HD13 LEU 14 HD13 LEU 14 -3.267 -8.545 -1.139
111 HD21 LEU 14 HD21 LEU 14 0.007 -9.399 0.367
112 HD22 LEU 14 HD22 LEU 14 0.014 -8.079 1.537
113 HD23 LEU 14 HD23 LEU 14 0.201 -7.734 -0.182
114 H HIS 15 HN HIS 15 -4.386 -7.122 3.099
115 HA HIS 15 HA HIS 15 -5.112 -9.909 2.692
116 HB2 HIS 15 HB2 HIS 15 -5.236 -8.025 5.043
117 HB3 HIS 15 HB1 HIS 15 -5.909 -9.653 5.132
118 HD1 HIS 15 HD1 HIS 15 -2.644 -7.811 4.782
119 HD2 HIS 15 HD2 HIS 15 -3.990 -11.736 5.191
120 HE1 HIS 15 HE1 HIS 15 -0.594 -9.225 5.245
121 H ASP 16 HN ASP 16 -6.931 -6.903 3.144
122 HA ASP 16 HA ASP 16 -9.431 -8.338 3.324
123 HB2 ASP 16 HB2 ASP 16 -9.093 -6.089 4.320
124 HB3 ASP 16 HB1 ASP 16 -8.964 -5.411 2.698
125 H LEU 17 HN LEU 17 -7.609 -6.960 0.629
126 HA LEU 17 HA LEU 17 -9.888 -7.157 -1.194
127 HB2 LEU 17 HB2 LEU 17 -6.946 -6.631 -1.678
128 HB3 LEU 17 HB1 LEU 17 -8.100 -6.803 -2.992
129 HG LEU 17 HG LEU 17 -8.364 -4.796 -0.736
130 HD11 LEU 17 HD11 LEU 17 -6.468 -4.147 -2.029
131 HD12 LEU 17 HD12 LEU 17 -7.807 -3.175 -2.634
132 HD13 LEU 17 HD13 LEU 17 -7.259 -4.582 -3.543
133 HD21 LEU 17 HD21 LEU 17 -10.544 -4.977 -1.532
134 HD22 LEU 17 HD22 LEU 17 -10.036 -5.520 -3.130
135 HD23 LEU 17 HD23 LEU 17 -9.925 -3.816 -2.701
136 H MET 18 HN MET 18 -7.238 -9.303 -0.281
137 HA MET 18 HA MET 18 -8.043 -11.191 -2.455
138 HB2 MET 18 HB2 MET 18 -5.589 -10.492 -1.956
139 HB3 MET 18 HB1 MET 18 -5.719 -11.582 -0.573
140 HG2 MET 18 HG2 MET 18 -4.804 -12.855 -2.402
141 HG3 MET 18 HG1 MET 18 -6.472 -13.383 -2.196
142 HE1 MET 18 HE1 MET 18 -5.434 -13.377 -6.064
143 HE2 MET 18 HE2 MET 18 -5.655 -14.381 -4.633
144 HE3 MET 18 HE3 MET 18 -4.237 -13.343 -4.762
145 H THR 19 HN THR 19 -8.913 -10.583 0.676
146 HA THR 19 HA THR 19 -9.142 -13.451 1.446
147 HB THR 19 HB THR 19 -9.724 -10.875 2.934
148 HG1 THR 19 HG1 THR 19 -7.734 -12.854 2.945
149 HG21 THR 19 HG21 THR 19 -10.043 -12.500 4.886
150 HG22 THR 19 HG22 THR 19 -10.231 -13.759 3.664
151 HG23 THR 19 HG23 THR 19 -11.361 -12.407 3.718
152 H GLY 20 HN GLY 20 -11.045 -10.830 0.153
153 HA2 GLY 20 HA2 GLY 20 -13.167 -12.366 -0.754
154 HA3 GLY 20 HA1 GLY 20 -13.621 -11.959 0.899
155 H LYS 21 HN LYS 21 -13.202 -9.470 1.368
156 HA LYS 21 HA LYS 21 -15.044 -7.930 -0.031
157 HB2 LYS 21 HB2 LYS 21 -12.544 -7.163 1.465
158 HB3 LYS 21 HB1 LYS 21 -13.555 -5.928 0.723
159 HG2 LYS 21 HG2 LYS 21 -14.170 -6.294 3.088
160 HG3 LYS 21 HG1 LYS 21 -15.495 -6.727 2.006
161 HD2 LYS 21 HD2 LYS 21 -15.074 -9.059 2.257
162 HD3 LYS 21 HD1 LYS 21 -13.499 -8.770 2.999
163 HE2 LYS 21 HE2 LYS 21 -15.234 -9.394 4.675
164 HE3 LYS 21 HE1 LYS 21 -14.567 -7.787 4.966
165 HZ1 LYS 21 HZ1 LYS 21 -17.087 -8.062 5.027
166 HZ2 LYS 21 HZ2 LYS 21 -16.998 -8.163 3.333
167 HZ3 LYS 21 HZ3 LYS 21 -16.461 -6.763 4.133
168 H ARG 22 HN ARG 22 -15.090 -6.967 -2.012
169 HA ARG 22 HA ARG 22 -12.702 -7.244 -3.754
170 HB2 ARG 22 HB2 ARG 22 -15.429 -6.215 -4.554
171 HB3 ARG 22 HB1 ARG 22 -14.188 -6.930 -5.584
172 HG2 ARG 22 HG2 ARG 22 -14.458 -9.083 -4.354
173 HG3 ARG 22 HG1 ARG 22 -15.774 -8.358 -3.429
174 HD2 ARG 22 HD2 ARG 22 -16.671 -9.646 -5.322
175 HD3 ARG 22 HD1 ARG 22 -17.003 -7.927 -5.537
176 HE ARG 22 HE ARG 22 -14.604 -8.303 -6.867
177 HH11 ARG 22 HH21 ARG 22 -17.730 -9.757 -6.889
178 HH12 ARG 22 HH22 ARG 22 -17.665 -10.187 -8.566
179 HH21 ARG 22 HH11 ARG 22 -14.500 -8.856 -9.055
180 HH22 ARG 22 HH12 ARG 22 -15.835 -9.676 -9.793
181 H VAL 23 HN VAL 23 -14.255 -4.846 -1.866
182 HA VAL 23 HA VAL 23 -12.823 -2.676 -3.380
183 HB VAL 23 HB VAL 23 -15.423 -2.697 -3.355
184 HG11 VAL 23 HG11 VAL 23 -14.991 -1.443 -0.634
185 HG12 VAL 23 HG12 VAL 23 -15.495 -3.120 -0.830
186 HG13 VAL 23 HG13 VAL 23 -16.521 -1.817 -1.425
187 HG21 VAL 23 HG21 VAL 23 -15.472 -0.228 -3.181
188 HG22 VAL 23 HG22 VAL 23 -14.073 -0.785 -4.099
189 HG23 VAL 23 HG23 VAL 23 -13.877 -0.258 -2.427
190 H ALA 24 HN ALA 24 -11.777 -1.073 -2.169
191 HA ALA 24 HA ALA 24 -11.716 -1.272 0.781
192 HB1 ALA 24 HB1 ALA 24 -9.157 -1.277 0.691
193 HB2 ALA 24 HB2 ALA 24 -9.312 -1.766 -0.994
194 HB3 ALA 24 HB3 ALA 24 -9.938 -2.804 0.285
195 H THR 25 HN THR 25 -10.853 0.689 1.731
196 HA THR 25 HA THR 25 -10.468 2.960 -0.210
197 HB THR 25 HB THR 25 -11.581 4.360 1.605
198 HG1 THR 25 HG1 THR 25 -13.087 2.602 2.709
199 HG21 THR 25 HG21 THR 25 -12.889 3.942 -0.314
200 HG22 THR 25 HG22 THR 25 -13.913 3.418 1.021
201 HG23 THR 25 HG23 THR 25 -13.044 2.224 0.056
202 H VAL 26 HN VAL 26 -9.061 4.667 0.575
203 HA VAL 26 HA VAL 26 -7.518 4.108 3.060
204 HB VAL 26 HB VAL 26 -6.073 4.811 0.491
205 HG11 VAL 26 HG11 VAL 26 -4.156 3.855 1.778
206 HG12 VAL 26 HG12 VAL 26 -5.228 3.649 3.161
207 HG13 VAL 26 HG13 VAL 26 -4.871 5.266 2.555
208 HG21 VAL 26 HG21 VAL 26 -6.818 2.099 1.598
209 HG22 VAL 26 HG22 VAL 26 -5.411 2.323 0.561
210 HG23 VAL 26 HG23 VAL 26 -7.019 2.706 -0.046
211 H GLN 27 HN GLN 27 -7.050 5.990 4.144
212 HA GLN 27 HA GLN 27 -8.091 8.495 3.014
213 HB2 GLN 27 HB2 GLN 27 -6.785 7.843 5.676
214 HB3 GLN 27 HB1 GLN 27 -7.450 9.423 5.256
215 HG2 GLN 27 HG2 GLN 27 -9.664 8.391 4.888
216 HG3 GLN 27 HG1 GLN 27 -9.000 6.816 5.325
217 HE21 GLN 27 HE21 GLN 27 -9.336 10.144 6.679
218 HE22 GLN 27 HE22 GLN 27 -9.502 9.629 8.287
219 H LYS 28 HN LYS 28 -6.730 9.308 1.450
220 HA LYS 28 HA LYS 28 -3.936 9.976 2.309
221 HB2 LYS 28 HB2 LYS 28 -4.644 9.052 -0.497
222 HB3 LYS 28 HB1 LYS 28 -3.042 9.395 0.150
223 HG2 LYS 28 HG2 LYS 28 -3.149 7.511 1.645
224 HG3 LYS 28 HG1 LYS 28 -4.849 7.237 1.266
225 HD2 LYS 28 HD2 LYS 28 -3.322 5.659 0.069
226 HD3 LYS 28 HD1 LYS 28 -4.294 6.639 -1.026
227 HE2 LYS 28 HE2 LYS 28 -2.472 7.995 -1.634
228 HE3 LYS 28 HE1 LYS 28 -1.542 7.553 -0.201
229 HZ1 LYS 28 HZ1 LYS 28 -1.713 5.188 -1.228
230 HZ2 LYS 28 HZ2 LYS 28 -0.546 6.282 -1.801
231 HZ3 LYS 28 HZ3 LYS 28 -1.982 6.033 -2.674
232 H ASP 29 HN ASP 29 -3.403 12.069 1.891
233 HA ASP 29 HA ASP 29 -3.752 14.319 1.302
234 HB2 ASP 29 HB2 ASP 29 -3.156 13.279 -0.909
235 HB3 ASP 29 HB1 ASP 29 -4.881 13.097 -1.230
236 H GLY 30 HN GLY 30 -5.761 13.564 2.987
237 HA2 GLY 30 HA2 GLY 30 -8.009 13.927 3.571
238 HA3 GLY 30 HA1 GLY 30 -7.812 15.388 2.603
239 H ARG 31 HN ARG 31 -7.317 12.558 0.740
240 HA ARG 31 HA ARG 31 -10.160 12.638 -0.242
241 HB2 ARG 31 HB2 ARG 31 -8.541 13.748 -1.799
242 HB3 ARG 31 HB1 ARG 31 -7.666 12.221 -1.915
243 HG2 ARG 31 HG2 ARG 31 -9.552 11.113 -2.900
244 HG3 ARG 31 HG1 ARG 31 -10.617 12.473 -2.539
245 HD2 ARG 31 HD2 ARG 31 -9.952 12.482 -4.916
246 HD3 ARG 31 HD1 ARG 31 -9.322 13.901 -4.078
247 HE ARG 31 HE ARG 31 -7.269 12.052 -3.878
248 HH11 ARG 31 HH21 ARG 31 -9.199 13.384 -6.405
249 HH12 ARG 31 HH22 ARG 31 -7.954 13.257 -7.604
250 HH21 ARG 31 HH11 ARG 31 -5.633 11.877 -5.427
251 HH22 ARG 31 HH12 ARG 31 -5.936 12.404 -7.049
252 H ARG 32 HN ARG 32 -11.112 10.668 -0.575
253 HA ARG 32 HA ARG 32 -9.601 8.265 0.302
254 HB2 ARG 32 HB2 ARG 32 -12.533 8.848 -0.175
255 HB3 ARG 32 HB1 ARG 32 -11.935 7.213 0.113
256 HG2 ARG 32 HG2 ARG 32 -11.091 7.811 2.279
257 HG3 ARG 32 HG1 ARG 32 -11.361 9.527 1.977
258 HD2 ARG 32 HD2 ARG 32 -13.122 8.458 3.428
259 HD3 ARG 32 HD1 ARG 32 -13.760 9.216 1.968
260 HE ARG 32 HE ARG 32 -13.320 6.589 1.208
261 HH11 ARG 32 HH21 ARG 32 -14.975 8.211 3.760
262 HH12 ARG 32 HH22 ARG 32 -16.188 6.987 3.930
263 HH21 ARG 32 HH11 ARG 32 -14.895 4.982 1.414
264 HH22 ARG 32 HH12 ARG 32 -16.143 5.159 2.602
265 H VAL 33 HN VAL 33 -9.017 6.654 -1.128
266 HA VAL 33 HA VAL 33 -9.989 6.876 -3.974
267 HB VAL 33 HB VAL 33 -7.256 5.956 -3.012
268 HG11 VAL 33 HG11 VAL 33 -7.936 4.733 -4.993
269 HG12 VAL 33 HG12 VAL 33 -6.805 5.984 -5.509
270 HG13 VAL 33 HG13 VAL 33 -8.536 6.205 -5.756
271 HG21 VAL 33 HG21 VAL 33 -8.272 8.512 -4.293
272 HG22 VAL 33 HG22 VAL 33 -6.592 8.010 -4.474
273 HG23 VAL 33 HG23 VAL 33 -7.242 8.339 -2.872
274 H GLU 34 HN GLU 34 -10.336 4.934 -5.054
275 HA GLU 34 HA GLU 34 -10.793 2.584 -3.241
276 HB2 GLU 34 HB2 GLU 34 -12.018 3.043 -5.970
277 HB3 GLU 34 HB1 GLU 34 -12.552 1.926 -4.714
278 HG2 GLU 34 HG2 GLU 34 -12.893 4.015 -3.244
279 HG3 GLU 34 HG1 GLU 34 -12.747 4.941 -4.736
280 H PHE 35 HN PHE 35 -10.292 0.489 -4.020
281 HA PHE 35 HA PHE 35 -8.558 0.236 -6.441
282 HB2 PHE 35 HB2 PHE 35 -7.855 -0.458 -3.588
283 HB3 PHE 35 HB1 PHE 35 -7.142 -1.350 -4.929
284 HD1 PHE 35 HD2 PHE 35 -6.279 0.258 -6.921
285 HD2 PHE 35 HD1 PHE 35 -6.640 1.381 -2.794
286 HE1 PHE 35 HE2 PHE 35 -4.595 2.043 -7.265
287 HE2 PHE 35 HE1 PHE 35 -4.941 3.158 -3.132
288 HZ PHE 35 HZ PHE 35 -3.927 3.495 -5.370
289 H THR 36 HN THR 36 -9.022 -1.651 -7.526
290 HA THR 36 HA THR 36 -10.888 -3.593 -6.185
291 HB THR 36 HB THR 36 -11.542 -4.117 -8.614
292 HG1 THR 36 HG1 THR 36 -11.163 -2.001 -9.827
293 HG21 THR 36 HG21 THR 36 -12.135 -1.341 -7.557
294 HG22 THR 36 HG22 THR 36 -12.938 -2.815 -7.018
295 HG23 THR 36 HG23 THR 36 -13.129 -2.265 -8.683
296 H ALA 37 HN ALA 37 -10.549 -5.823 -6.641
297 HA ALA 37 HA ALA 37 -7.956 -6.785 -6.552
298 HB1 ALA 37 HB1 ALA 37 -8.816 -8.933 -7.113
299 HB2 ALA 37 HB2 ALA 37 -10.123 -8.239 -8.073
300 HB3 ALA 37 HB3 ALA 37 -10.144 -8.090 -6.316
301 H THR 38 HN THR 38 -9.507 -5.424 -9.351
302 HA THR 38 HA THR 38 -7.946 -6.787 -11.343
303 HB THR 38 HB THR 38 -9.102 -4.010 -11.620
304 HG1 THR 38 HG1 THR 38 -10.815 -5.094 -10.903
305 HG21 THR 38 HG21 THR 38 -8.666 -6.324 -13.528
306 HG22 THR 38 HG22 THR 38 -7.765 -4.808 -13.497
307 HG23 THR 38 HG23 THR 38 -9.468 -4.811 -13.952
308 H SER 39 HN SER 39 -7.273 -4.072 -9.216
309 HA SER 39 HA SER 39 -4.746 -3.527 -10.762
310 HB2 SER 39 HB2 SER 39 -4.716 -1.364 -9.618
311 HB3 SER 39 HB1 SER 39 -6.239 -1.580 -10.474
312 HG SER 39 HG SER 39 -5.737 -2.005 -7.706
313 H VAL 40 HN VAL 40 -5.505 -5.589 -8.525
314 HA VAL 40 HA VAL 40 -4.133 -5.007 -6.148
315 HB VAL 40 HB VAL 40 -5.489 -7.070 -6.595
316 HG11 VAL 40 HG11 VAL 40 -4.521 -7.601 -8.815
317 HG12 VAL 40 HG12 VAL 40 -4.451 -8.974 -7.714
318 HG13 VAL 40 HG13 VAL 40 -2.999 -8.030 -8.032
319 HG21 VAL 40 HG21 VAL 40 -2.699 -7.782 -5.664
320 HG22 VAL 40 HG22 VAL 40 -4.218 -8.530 -5.173
321 HG23 VAL 40 HG23 VAL 40 -3.846 -6.884 -4.670
322 H SER 41 HN SER 41 -2.829 -5.168 -9.287
323 HA SER 41 HA SER 41 -0.133 -5.986 -8.425
324 HB2 SER 41 HB2 SER 41 -1.102 -4.895 -11.081
325 HB3 SER 41 HB1 SER 41 0.480 -5.605 -10.772
326 HG SER 41 HG SER 41 -0.798 -7.493 -10.025
327 H ASP 42 HN ASP 42 -1.569 -2.986 -9.821
328 HA ASP 42 HA ASP 42 0.781 -1.428 -9.496
329 HB2 ASP 42 HB2 ASP 42 -0.579 0.510 -9.816
330 HB3 ASP 42 HB1 ASP 42 -1.294 -0.764 -10.799
331 H LEU 43 HN LEU 43 -1.572 -2.507 -7.149
332 HA LEU 43 HA LEU 43 -0.812 -0.538 -5.143
333 HB2 LEU 43 HB2 LEU 43 -3.012 -1.723 -5.095
334 HB3 LEU 43 HB1 LEU 43 -2.152 -3.229 -4.791
335 HG LEU 43 HG LEU 43 -1.102 -1.872 -2.756
336 HD11 LEU 43 HD11 LEU 43 -2.367 -0.103 -1.906
337 HD12 LEU 43 HD12 LEU 43 -3.792 -0.535 -2.847
338 HD13 LEU 43 HD13 LEU 43 -2.414 0.216 -3.638
339 HD21 LEU 43 HD21 LEU 43 -2.902 -2.711 -1.316
340 HD22 LEU 43 HD22 LEU 43 -2.533 -3.888 -2.575
341 HD23 LEU 43 HD23 LEU 43 -3.965 -2.873 -2.715
342 H LYS 44 HN LYS 44 0.092 -3.899 -5.916
343 HA LYS 44 HA LYS 44 1.746 -4.448 -3.705
344 HB2 LYS 44 HB2 LYS 44 1.660 -5.333 -6.557
345 HB3 LYS 44 HB1 LYS 44 3.178 -5.633 -5.714
346 HG2 LYS 44 HG2 LYS 44 1.954 -6.812 -3.926
347 HG3 LYS 44 HG1 LYS 44 0.434 -6.518 -4.771
348 HD2 LYS 44 HD2 LYS 44 1.330 -7.758 -6.741
349 HD3 LYS 44 HD1 LYS 44 2.786 -8.120 -5.818
350 HE2 LYS 44 HE2 LYS 44 -0.022 -9.109 -5.368
351 HE3 LYS 44 HE1 LYS 44 1.470 -10.039 -5.489
352 HZ1 LYS 44 HZ1 LYS 44 0.395 -8.533 -3.223
353 HZ2 LYS 44 HZ2 LYS 44 2.084 -8.604 -3.399
354 HZ3 LYS 44 HZ3 LYS 44 1.181 -10.036 -3.247
355 H LYS 45 HN LYS 45 2.409 -2.421 -6.537
356 HA LYS 45 HA LYS 45 5.220 -2.062 -5.865
357 HB2 LYS 45 HB2 LYS 45 3.300 -0.745 -7.781
358 HB3 LYS 45 HB1 LYS 45 4.882 -0.020 -7.489
359 HG2 LYS 45 HG2 LYS 45 5.010 -1.523 -9.413
360 HG3 LYS 45 HG1 LYS 45 5.953 -2.184 -8.078
361 HD2 LYS 45 HD2 LYS 45 4.258 -3.777 -7.540
362 HD3 LYS 45 HD1 LYS 45 3.078 -2.973 -8.574
363 HE2 LYS 45 HE2 LYS 45 5.595 -4.383 -9.510
364 HE3 LYS 45 HE1 LYS 45 3.946 -4.981 -9.689
365 HZ1 LYS 45 HZ1 LYS 45 4.363 -3.979 -11.710
366 HZ2 LYS 45 HZ2 LYS 45 5.244 -2.697 -11.026
367 HZ3 LYS 45 HZ3 LYS 45 3.553 -2.750 -10.868
368 H TYR 46 HN TYR 46 2.296 -0.067 -5.425
369 HA TYR 46 HA TYR 46 3.463 2.197 -4.251
370 HB2 TYR 46 HB2 TYR 46 1.089 2.093 -4.765
371 HB3 TYR 46 HB1 TYR 46 0.864 0.792 -3.608
372 HD1 TYR 46 HD1 TYR 46 2.524 4.175 -3.509
373 HD2 TYR 46 HD2 TYR 46 -0.302 1.482 -1.707
374 HE1 TYR 46 HE1 TYR 46 2.055 5.845 -1.743
375 HE2 TYR 46 HE2 TYR 46 -0.777 3.163 0.056
376 HH TYR 46 HH TYR 46 -0.322 5.183 0.832
377 H ILE 47 HN ILE 47 3.071 -1.024 -2.979
378 HA ILE 47 HA ILE 47 3.616 -0.251 -0.205
379 HB ILE 47 HB ILE 47 3.493 -2.944 -1.587
380 HG12 ILE 47 HG12 ILE 47 1.661 -1.705 0.489
381 HG13 ILE 47 HG11 ILE 47 1.367 -1.587 -1.245
382 HG21 ILE 47 HG21 ILE 47 3.421 -3.776 0.845
383 HG22 ILE 47 HG22 ILE 47 4.054 -2.192 1.290
384 HG23 ILE 47 HG23 ILE 47 4.994 -3.254 0.243
385 HD11 ILE 47 HD11 ILE 47 1.665 -4.183 0.295
386 HD12 ILE 47 HD12 ILE 47 1.302 -4.033 -1.425
387 HD13 ILE 47 HD13 ILE 47 0.131 -3.485 -0.227
388 H ALA 48 HN ALA 48 5.448 -1.710 -2.882
389 HA ALA 48 HA ALA 48 7.859 -2.077 -1.339
390 HB1 ALA 48 HB1 ALA 48 7.505 -1.808 -4.337
391 HB2 ALA 48 HB2 ALA 48 7.418 -3.316 -3.428
392 HB3 ALA 48 HB3 ALA 48 8.940 -2.431 -3.522
393 H GLU 49 HN GLU 49 6.626 0.554 -3.367
394 HA GLU 49 HA GLU 49 9.069 2.063 -3.392
395 HB2 GLU 49 HB2 GLU 49 7.141 2.390 -4.975
396 HB3 GLU 49 HB1 GLU 49 6.259 3.155 -3.655
397 HG2 GLU 49 HG2 GLU 49 7.983 4.867 -3.436
398 HG3 GLU 49 HG1 GLU 49 8.962 4.073 -4.669
399 H LEU 50 HN LEU 50 6.327 1.978 -1.114
400 HA LEU 50 HA LEU 50 7.245 4.335 0.315
401 HB2 LEU 50 HB2 LEU 50 5.342 2.117 1.137
402 HB3 LEU 50 HB1 LEU 50 5.807 3.407 2.235
403 HG LEU 50 HG LEU 50 4.532 3.844 -0.484
404 HD11 LEU 50 HD11 LEU 50 2.617 4.669 1.114
405 HD12 LEU 50 HD12 LEU 50 3.403 3.636 2.309
406 HD13 LEU 50 HD13 LEU 50 2.791 2.944 0.809
407 HD21 LEU 50 HD21 LEU 50 4.129 6.163 0.837
408 HD22 LEU 50 HD22 LEU 50 5.588 5.879 -0.101
409 HD23 LEU 50 HD23 LEU 50 5.613 5.664 1.649
410 H GLU 51 HN GLU 51 7.982 0.884 0.569
411 HA GLU 51 HA GLU 51 9.341 1.069 3.094
412 HB2 GLU 51 HB2 GLU 51 9.382 -0.890 0.805
413 HB3 GLU 51 HB1 GLU 51 10.605 -1.020 2.066
414 HG2 GLU 51 HG2 GLU 51 8.546 -2.414 2.461
415 HG3 GLU 51 HG1 GLU 51 8.928 -1.293 3.766
416 H VAL 52 HN VAL 52 10.305 1.811 -0.219
417 HA VAL 52 HA VAL 52 13.139 2.064 0.505
418 HB VAL 52 HB VAL 52 11.602 2.826 -1.998
419 HG11 VAL 52 HG11 VAL 52 13.496 4.282 -1.912
420 HG12 VAL 52 HG12 VAL 52 13.962 2.953 -2.973
421 HG13 VAL 52 HG13 VAL 52 14.543 2.998 -1.308
422 HG21 VAL 52 HG21 VAL 52 11.719 0.446 -1.799
423 HG22 VAL 52 HG22 VAL 52 13.384 0.505 -1.223
424 HG23 VAL 52 HG23 VAL 52 13.018 0.892 -2.904
425 H GLN 53 HN GLN 53 10.328 4.092 0.552
426 HA GLN 53 HA GLN 53 11.947 6.579 0.599
427 HB2 GLN 53 HB2 GLN 53 8.953 6.092 0.774
428 HB3 GLN 53 HB1 GLN 53 9.705 7.687 0.835
429 HG2 GLN 53 HG2 GLN 53 10.684 7.344 -1.382
430 HG3 GLN 53 HG1 GLN 53 10.020 5.712 -1.443
431 HE21 GLN 53 HE21 GLN 53 9.315 7.691 -3.404
432 HE22 GLN 53 HE22 GLN 53 7.672 8.069 -3.209
433 H THR 54 HN THR 54 10.925 4.207 2.746
434 HA THR 54 HA THR 54 11.174 6.080 5.079
435 HB THR 54 HB THR 54 9.062 4.216 4.341
436 HG1 THR 54 HG1 THR 54 8.899 5.570 6.711
437 HG21 THR 54 HG21 THR 54 10.341 3.804 7.066
438 HG22 THR 54 HG22 THR 54 10.159 2.590 5.798
439 HG23 THR 54 HG23 THR 54 8.735 3.232 6.617
440 H GLY 55 HN GLY 55 11.800 2.820 3.803
441 HA2 GLY 55 HA2 GLY 55 13.297 1.893 6.064
442 HA3 GLY 55 HA1 GLY 55 13.404 1.229 4.430
443 H MET 56 HN MET 56 15.797 1.278 5.622
444 HA MET 56 HA MET 56 17.200 3.568 4.315
445 HB2 MET 56 HB2 MET 56 17.783 2.554 7.118
446 HB3 MET 56 HB1 MET 56 18.673 3.815 6.266
447 HG2 MET 56 HG2 MET 56 15.727 3.952 6.977
448 HG3 MET 56 HG1 MET 56 17.019 4.760 7.862
449 HE1 MET 56 HE1 MET 56 16.020 7.087 7.640
450 HE2 MET 56 HE2 MET 56 14.617 6.331 6.887
451 HE3 MET 56 HE3 MET 56 15.346 7.754 6.146
452 H THR 57 HN THR 57 17.027 1.151 3.102
453 HA THR 57 HA THR 57 19.319 -0.539 3.882
454 HB THR 57 HB THR 57 17.185 -1.507 2.946
455 HG1 THR 57 HG1 THR 57 19.185 -2.606 2.788
456 HG21 THR 57 HG21 THR 57 18.171 -0.398 0.301
457 HG22 THR 57 HG22 THR 57 16.915 0.390 1.261
458 HG23 THR 57 HG23 THR 57 16.649 -1.233 0.626
459 H GLN 58 HN GLN 58 20.143 -1.234 1.234
460 HA GLN 58 HA GLN 58 20.894 1.069 -0.291
461 HB2 GLN 58 HB2 GLN 58 22.348 1.486 1.682
462 HB3 GLN 58 HB1 GLN 58 23.076 -0.106 1.465
463 HG2 GLN 58 HG2 GLN 58 23.929 0.527 -0.723
464 HG3 GLN 58 HG1 GLN 58 23.093 2.079 -0.637
465 HE21 GLN 58 HE21 GLN 58 25.986 1.811 -0.910
466 HE22 GLN 58 HE22 GLN 58 26.687 2.468 0.489
467 H ARG 59 HN ARG 59 22.292 -2.081 0.706
468 HA ARG 59 HA ARG 59 23.154 -2.707 -1.989
469 HB2 ARG 59 HB2 ARG 59 22.740 -4.540 0.395
470 HB3 ARG 59 HB1 ARG 59 23.628 -4.946 -1.074
471 HG2 ARG 59 HG2 ARG 59 25.198 -3.075 -0.620
472 HG3 ARG 59 HG1 ARG 59 24.334 -2.737 0.880
473 HD2 ARG 59 HD2 ARG 59 24.834 -5.040 1.665
474 HD3 ARG 59 HD1 ARG 59 25.751 -5.328 0.186
475 HE ARG 59 HE ARG 59 26.911 -3.047 1.246
476 HH11 ARG 59 HH21 ARG 59 26.145 -6.216 2.368
477 HH12 ARG 59 HH22 ARG 59 27.473 -6.289 3.477
478 HH21 ARG 59 HH11 ARG 59 28.651 -3.125 2.689
479 HH22 ARG 59 HH12 ARG 59 28.892 -4.539 3.658
480 H ARG 60 HN ARG 60 22.268 -5.337 -2.355
481 HA ARG 60 HA ARG 60 19.299 -5.252 -2.359
482 HB2 ARG 60 HB2 ARG 60 20.825 -5.775 -4.923
483 HB3 ARG 60 HB1 ARG 60 19.087 -5.549 -4.722
484 HG2 ARG 60 HG2 ARG 60 19.550 -3.210 -3.923
485 HG3 ARG 60 HG1 ARG 60 21.246 -3.457 -4.342
486 HD2 ARG 60 HD2 ARG 60 18.916 -3.689 -6.269
487 HD3 ARG 60 HD1 ARG 60 20.025 -2.321 -6.170
488 HE ARG 60 HE ARG 60 21.697 -4.494 -6.556
489 HH11 ARG 60 HH21 ARG 60 18.903 -3.185 -8.095
490 HH12 ARG 60 HH22 ARG 60 19.354 -3.731 -9.676
491 HH21 ARG 60 HH11 ARG 60 22.303 -5.213 -8.612
492 HH22 ARG 60 HH12 ARG 60 21.278 -4.879 -9.969
493 H ARG 61 HN ARG 61 21.705 -6.878 -1.288
494 HA ARG 61 HA ARG 61 21.638 -9.452 -2.546
495 HB2 ARG 61 HB2 ARG 61 23.355 -8.594 -0.866
496 HB3 ARG 61 HB1 ARG 61 22.166 -8.941 0.390
497 HG2 ARG 61 HG2 ARG 61 22.037 -11.306 -0.657
498 HG3 ARG 61 HG1 ARG 61 23.538 -10.883 -1.472
499 HD2 ARG 61 HD2 ARG 61 23.015 -11.100 1.488
500 HD3 ARG 61 HD1 ARG 61 24.208 -11.977 0.538
501 HE ARG 61 HE ARG 61 24.588 -9.449 1.844
502 HH11 ARG 61 HH21 ARG 61 25.239 -11.019 -1.163
503 HH12 ARG 61 HH22 ARG 61 26.456 -9.880 -1.630
504 HH21 ARG 61 HH11 ARG 61 26.177 -7.985 1.252
505 HH22 ARG 61 HH12 ARG 61 26.991 -8.173 -0.265
506 H GLY 62 HN GLY 62 20.198 -8.541 0.610
507 HA2 GLY 62 HA2 GLY 62 18.156 -9.203 1.572
508 HA3 GLY 62 HA1 GLY 62 17.627 -9.684 -0.041
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 10.030 11.863 8.073
2 H2 MET 1 HT2 MET 1 11.023 10.512 7.799
3 H3 MET 1 HT3 MET 1 10.021 10.569 9.170
4 HA MET 1 HA MET 1 8.103 10.761 7.494
5 HB2 MET 1 HB2 MET 1 10.316 9.534 5.818
6 HB3 MET 1 HB1 MET 1 8.616 9.621 5.358
7 HG2 MET 1 HG2 MET 1 8.766 12.131 5.616
8 HG3 MET 1 HG1 MET 1 10.507 11.942 5.818
9 HE1 MET 1 HE1 MET 1 9.913 13.450 2.260
10 HE2 MET 1 HE2 MET 1 11.063 13.500 3.594
11 HE3 MET 1 HE3 MET 1 9.351 13.775 3.906
12 H VAL 2 HN VAL 2 7.989 9.470 9.619
13 HA VAL 2 HA VAL 2 8.737 6.628 9.395
14 HB VAL 2 HB VAL 2 7.454 6.581 11.669
15 HG11 VAL 2 HG11 VAL 2 9.948 8.265 11.268
16 HG12 VAL 2 HG12 VAL 2 9.894 6.525 11.551
17 HG13 VAL 2 HG13 VAL 2 9.403 7.641 12.825
18 HG21 VAL 2 HG21 VAL 2 7.062 8.694 12.727
19 HG22 VAL 2 HG22 VAL 2 6.324 8.819 11.130
20 HG23 VAL 2 HG23 VAL 2 7.888 9.571 11.440
21 H ARG 3 HN ARG 3 7.362 6.056 7.539
22 HA ARG 3 HA ARG 3 4.474 6.418 7.741
23 HB2 ARG 3 HB2 ARG 3 6.305 4.929 5.857
24 HB3 ARG 3 HB1 ARG 3 4.555 4.727 5.762
25 HG2 ARG 3 HG2 ARG 3 5.416 6.510 4.238
26 HG3 ARG 3 HG1 ARG 3 4.247 7.110 5.403
27 HD2 ARG 3 HD2 ARG 3 5.925 8.095 6.752
28 HD3 ARG 3 HD1 ARG 3 7.220 7.208 5.958
29 HE ARG 3 HE ARG 3 6.121 9.769 5.187
30 HH11 ARG 3 HH21 ARG 3 7.241 6.798 3.820
31 HH12 ARG 3 HH22 ARG 3 7.465 7.473 2.241
32 HH21 ARG 3 HH11 ARG 3 6.416 10.644 3.149
33 HH22 ARG 3 HH12 ARG 3 7.000 9.642 1.862
34 H GLN 4 HN GLN 4 6.390 4.608 9.575
35 HA GLN 4 HA GLN 4 5.672 1.946 9.526
36 HB2 GLN 4 HB2 GLN 4 5.952 3.815 11.881
37 HB3 GLN 4 HB1 GLN 4 5.707 2.079 12.080
38 HG2 GLN 4 HG2 GLN 4 8.107 2.594 12.112
39 HG3 GLN 4 HG1 GLN 4 7.710 1.653 10.673
40 HE21 GLN 4 HE21 GLN 4 7.724 2.768 8.589
41 HE22 GLN 4 HE22 GLN 4 8.455 4.289 8.409
42 H GLU 5 HN GLU 5 3.587 4.627 10.630
43 HA GLU 5 HA GLU 5 1.472 2.805 11.555
44 HB2 GLU 5 HB2 GLU 5 1.795 5.779 11.243
45 HB3 GLU 5 HB1 GLU 5 0.155 5.144 11.337
46 HG2 GLU 5 HG2 GLU 5 2.281 4.398 13.360
47 HG3 GLU 5 HG1 GLU 5 1.242 5.809 13.561
48 H GLU 6 HN GLU 6 1.164 5.337 9.039
49 HA GLU 6 HA GLU 6 -1.027 4.261 7.715
50 HB2 GLU 6 HB2 GLU 6 -0.423 5.561 5.796
51 HB3 GLU 6 HB1 GLU 6 0.146 6.455 7.202
52 HG2 GLU 6 HG2 GLU 6 2.013 6.545 5.797
53 HG3 GLU 6 HG1 GLU 6 2.395 5.148 6.799
54 H LEU 7 HN LEU 7 2.326 3.215 7.486
55 HA LEU 7 HA LEU 7 2.155 1.544 5.197
56 HB2 LEU 7 HB2 LEU 7 4.310 1.897 6.173
57 HB3 LEU 7 HB1 LEU 7 3.755 1.374 7.758
58 HG LEU 7 HG LEU 7 3.573 -0.933 6.999
59 HD11 LEU 7 HD11 LEU 7 4.272 0.251 4.302
60 HD12 LEU 7 HD12 LEU 7 2.817 -0.643 4.732
61 HD13 LEU 7 HD13 LEU 7 4.368 -1.474 4.651
62 HD21 LEU 7 HD21 LEU 7 5.801 -0.075 7.711
63 HD22 LEU 7 HD22 LEU 7 6.173 0.276 6.023
64 HD23 LEU 7 HD23 LEU 7 5.922 -1.391 6.543
65 H ALA 8 HN ALA 8 1.680 0.684 8.643
66 HA ALA 8 HA ALA 8 0.891 -1.979 8.328
67 HB1 ALA 8 HB1 ALA 8 1.207 -1.066 10.537
68 HB2 ALA 8 HB2 ALA 8 -0.465 -1.619 10.427
69 HB3 ALA 8 HB3 ALA 8 -0.095 0.100 10.295
70 H ALA 9 HN ALA 9 -1.011 0.950 7.794
71 HA ALA 9 HA ALA 9 -3.553 -0.391 7.559
72 HB1 ALA 9 HB1 ALA 9 -2.778 2.195 6.196
73 HB2 ALA 9 HB2 ALA 9 -3.154 2.104 7.916
74 HB3 ALA 9 HB3 ALA 9 -4.383 1.688 6.722
75 H ALA 10 HN ALA 10 -1.014 0.432 5.220
76 HA ALA 10 HA ALA 10 -2.517 -0.267 2.876
77 HB1 ALA 10 HB1 ALA 10 -0.308 1.025 2.997
78 HB2 ALA 10 HB2 ALA 10 -0.442 -0.172 1.708
79 HB3 ALA 10 HB3 ALA 10 0.479 -0.545 3.165
80 H ARG 11 HN ARG 11 -0.429 -2.168 5.035
81 HA ARG 11 HA ARG 11 -0.403 -4.550 3.454
82 HB2 ARG 11 HB2 ARG 11 -0.124 -4.082 6.431
83 HB3 ARG 11 HB1 ARG 11 0.021 -5.682 5.707
84 HG2 ARG 11 HG2 ARG 11 1.829 -4.848 4.238
85 HG3 ARG 11 HG1 ARG 11 1.703 -3.261 4.998
86 HD2 ARG 11 HD2 ARG 11 2.223 -5.770 6.601
87 HD3 ARG 11 HD1 ARG 11 3.531 -4.810 5.909
88 HE ARG 11 HE ARG 11 2.007 -2.953 7.289
89 HH11 ARG 11 HH21 ARG 11 3.505 -5.979 7.987
90 HH12 ARG 11 HH22 ARG 11 3.798 -5.601 9.652
91 HH21 ARG 11 HH11 ARG 11 2.381 -2.442 9.459
92 HH22 ARG 11 HH12 ARG 11 3.162 -3.598 10.485
93 H ALA 12 HN ALA 12 -2.713 -3.233 5.766
94 HA ALA 12 HA ALA 12 -4.317 -5.585 6.079
95 HB1 ALA 12 HB1 ALA 12 -4.535 -3.657 7.581
96 HB2 ALA 12 HB2 ALA 12 -6.085 -4.000 6.814
97 HB3 ALA 12 HB3 ALA 12 -5.097 -2.657 6.242
98 H ALA 13 HN ALA 13 -4.332 -2.978 3.671
99 HA ALA 13 HA ALA 13 -6.790 -3.695 2.410
100 HB1 ALA 13 HB1 ALA 13 -6.191 -2.207 0.711
101 HB2 ALA 13 HB2 ALA 13 -4.474 -2.610 0.821
102 HB3 ALA 13 HB3 ALA 13 -5.228 -1.611 2.062
103 H LEU 14 HN LEU 14 -3.448 -4.817 1.858
104 HA LEU 14 HA LEU 14 -4.054 -6.468 -0.405
105 HB2 LEU 14 HB2 LEU 14 -1.746 -5.976 0.041
106 HB3 LEU 14 HB1 LEU 14 -1.858 -6.586 1.685
107 HG LEU 14 HG LEU 14 -2.209 -8.888 0.793
108 HD11 LEU 14 HD11 LEU 14 -3.245 -8.432 -1.337
109 HD12 LEU 14 HD12 LEU 14 -1.697 -9.207 -1.666
110 HD13 LEU 14 HD13 LEU 14 -1.869 -7.465 -1.859
111 HD21 LEU 14 HD21 LEU 14 0.071 -9.233 0.049
112 HD22 LEU 14 HD22 LEU 14 0.075 -7.977 1.288
113 HD23 LEU 14 HD23 LEU 14 0.220 -7.538 -0.413
114 H HIS 15 HN HIS 15 -4.339 -6.965 3.072
115 HA HIS 15 HA HIS 15 -4.866 -9.811 2.878
116 HB2 HIS 15 HB2 HIS 15 -3.974 -8.722 4.935
117 HB3 HIS 15 HB1 HIS 15 -5.522 -7.900 5.127
118 HD1 HIS 15 HD1 HIS 15 -3.834 -11.149 5.671
119 HD2 HIS 15 HD2 HIS 15 -7.746 -9.709 5.668
120 HE1 HIS 15 HE1 HIS 15 -5.253 -12.929 6.779
121 H ASP 16 HN ASP 16 -6.914 -6.927 3.181
122 HA ASP 16 HA ASP 16 -9.305 -8.543 3.337
123 HB2 ASP 16 HB2 ASP 16 -9.172 -6.270 4.310
124 HB3 ASP 16 HB1 ASP 16 -9.024 -5.598 2.685
125 H LEU 17 HN LEU 17 -7.703 -6.778 0.684
126 HA LEU 17 HA LEU 17 -9.838 -7.226 -1.189
127 HB2 LEU 17 HB2 LEU 17 -6.911 -6.580 -1.601
128 HB3 LEU 17 HB1 LEU 17 -8.013 -6.823 -2.948
129 HG LEU 17 HG LEU 17 -8.437 -4.794 -0.737
130 HD11 LEU 17 HD11 LEU 17 -7.251 -4.579 -3.511
131 HD12 LEU 17 HD12 LEU 17 -6.535 -4.074 -1.982
132 HD13 LEU 17 HD13 LEU 17 -7.897 -3.181 -2.654
133 HD21 LEU 17 HD21 LEU 17 -9.979 -3.914 -2.760
134 HD22 LEU 17 HD22 LEU 17 -10.581 -5.090 -1.600
135 HD23 LEU 17 HD23 LEU 17 -9.996 -5.628 -3.173
136 H MET 18 HN MET 18 -7.123 -9.256 -0.200
137 HA MET 18 HA MET 18 -7.812 -11.198 -2.368
138 HB2 MET 18 HB2 MET 18 -5.455 -10.629 -2.207
139 HB3 MET 18 HB1 MET 18 -5.443 -11.043 -0.492
140 HG2 MET 18 HG2 MET 18 -5.632 -13.340 -0.910
141 HG3 MET 18 HG1 MET 18 -6.300 -13.094 -2.525
142 HE1 MET 18 HE1 MET 18 -5.046 -13.259 -4.582
143 HE2 MET 18 HE2 MET 18 -3.481 -12.492 -4.839
144 HE3 MET 18 HE3 MET 18 -4.846 -11.529 -4.280
145 H THR 19 HN THR 19 -8.759 -10.610 0.747
146 HA THR 19 HA THR 19 -8.875 -13.489 1.516
147 HB THR 19 HB THR 19 -9.482 -10.927 3.011
148 HG1 THR 19 HG1 THR 19 -7.756 -13.003 3.776
149 HG21 THR 19 HG21 THR 19 -10.041 -13.803 3.730
150 HG22 THR 19 HG22 THR 19 -11.142 -12.427 3.798
151 HG23 THR 19 HG23 THR 19 -9.824 -12.561 4.964
152 H GLY 20 HN GLY 20 -10.885 -10.918 0.262
153 HA2 GLY 20 HA2 GLY 20 -12.963 -12.563 -0.602
154 HA3 GLY 20 HA1 GLY 20 -13.412 -12.110 1.040
155 H LYS 21 HN LYS 21 -13.270 -9.649 1.467
156 HA LYS 21 HA LYS 21 -15.077 -8.241 -0.100
157 HB2 LYS 21 HB2 LYS 21 -12.701 -6.953 1.269
158 HB3 LYS 21 HB1 LYS 21 -14.265 -6.212 0.931
159 HG2 LYS 21 HG2 LYS 21 -15.267 -8.123 2.362
160 HG3 LYS 21 HG1 LYS 21 -13.616 -8.386 2.925
161 HD2 LYS 21 HD2 LYS 21 -13.493 -6.042 3.680
162 HD3 LYS 21 HD1 LYS 21 -15.136 -5.766 3.103
163 HE2 LYS 21 HE2 LYS 21 -14.301 -7.711 5.275
164 HE3 LYS 21 HE1 LYS 21 -15.181 -6.201 5.508
165 HZ1 LYS 21 HZ1 LYS 21 -16.968 -7.520 5.348
166 HZ2 LYS 21 HZ2 LYS 21 -16.125 -8.766 4.559
167 HZ3 LYS 21 HZ3 LYS 21 -16.694 -7.430 3.676
168 H ARG 22 HN ARG 22 -15.021 -7.266 -2.074
169 HA ARG 22 HA ARG 22 -12.502 -7.422 -3.631
170 HB2 ARG 22 HB2 ARG 22 -15.238 -6.529 -4.578
171 HB3 ARG 22 HB1 ARG 22 -13.878 -7.036 -5.575
172 HG2 ARG 22 HG2 ARG 22 -15.087 -8.915 -3.541
173 HG3 ARG 22 HG1 ARG 22 -15.792 -8.741 -5.143
174 HD2 ARG 22 HD2 ARG 22 -12.916 -9.513 -4.567
175 HD3 ARG 22 HD1 ARG 22 -14.190 -10.609 -5.098
176 HE ARG 22 HE ARG 22 -14.164 -8.634 -7.041
177 HH11 ARG 22 HH21 ARG 22 -11.853 -10.723 -5.566
178 HH12 ARG 22 HH22 ARG 22 -10.863 -10.846 -6.982
179 HH21 ARG 22 HH11 ARG 22 -12.885 -8.784 -8.901
180 HH22 ARG 22 HH12 ARG 22 -11.447 -9.748 -8.870
181 H VAL 23 HN VAL 23 -14.310 -5.113 -1.871
182 HA VAL 23 HA VAL 23 -12.940 -2.855 -3.307
183 HB VAL 23 HB VAL 23 -15.526 -2.989 -3.251
184 HG11 VAL 23 HG11 VAL 23 -16.644 -2.228 -1.281
185 HG12 VAL 23 HG12 VAL 23 -15.124 -1.828 -0.485
186 HG13 VAL 23 HG13 VAL 23 -15.565 -3.513 -0.748
187 HG21 VAL 23 HG21 VAL 23 -14.316 -0.989 -3.951
188 HG22 VAL 23 HG22 VAL 23 -14.046 -0.530 -2.270
189 HG23 VAL 23 HG23 VAL 23 -15.679 -0.519 -2.935
190 H ALA 24 HN ALA 24 -11.905 -1.273 -2.109
191 HA ALA 24 HA ALA 24 -11.814 -1.438 0.836
192 HB1 ALA 24 HB1 ALA 24 -9.374 -1.892 -0.912
193 HB2 ALA 24 HB2 ALA 24 -10.051 -3.014 0.266
194 HB3 ALA 24 HB3 ALA 24 -9.290 -1.519 0.808
195 H THR 25 HN THR 25 -10.938 0.551 1.741
196 HA THR 25 HA THR 25 -10.323 2.718 -0.235
197 HB THR 25 HB THR 25 -11.864 4.239 0.890
198 HG1 THR 25 HG1 THR 25 -13.086 3.557 2.596
199 HG21 THR 25 HG21 THR 25 -13.875 3.392 0.017
200 HG22 THR 25 HG22 THR 25 -13.458 1.727 0.420
201 HG23 THR 25 HG23 THR 25 -12.646 2.540 -0.917
202 H VAL 26 HN VAL 26 -8.912 4.305 0.590
203 HA VAL 26 HA VAL 26 -8.168 4.228 3.459
204 HB VAL 26 HB VAL 26 -5.693 4.250 2.732
205 HG11 VAL 26 HG11 VAL 26 -6.842 2.344 3.873
206 HG12 VAL 26 HG12 VAL 26 -5.564 1.823 2.778
207 HG13 VAL 26 HG13 VAL 26 -7.252 1.688 2.290
208 HG21 VAL 26 HG21 VAL 26 -5.117 3.368 0.619
209 HG22 VAL 26 HG22 VAL 26 -6.385 4.543 0.275
210 HG23 VAL 26 HG23 VAL 26 -6.762 2.820 0.301
211 H GLN 27 HN GLN 27 -6.589 6.105 3.904
212 HA GLN 27 HA GLN 27 -7.644 8.483 2.531
213 HB2 GLN 27 HB2 GLN 27 -7.238 8.329 5.040
214 HB3 GLN 27 HB1 GLN 27 -5.512 8.381 4.681
215 HG2 GLN 27 HG2 GLN 27 -6.176 10.642 5.121
216 HG3 GLN 27 HG1 GLN 27 -5.968 10.515 3.374
217 HE21 GLN 27 HE21 GLN 27 -8.493 10.435 5.926
218 HE22 GLN 27 HE22 GLN 27 -9.752 10.949 4.910
219 H LYS 28 HN LYS 28 -6.651 9.421 0.836
220 HA LYS 28 HA LYS 28 -3.685 9.126 0.533
221 HB2 LYS 28 HB2 LYS 28 -5.192 7.529 -0.979
222 HB3 LYS 28 HB1 LYS 28 -5.411 8.991 -1.940
223 HG2 LYS 28 HG2 LYS 28 -2.779 7.669 -1.218
224 HG3 LYS 28 HG1 LYS 28 -3.513 7.764 -2.818
225 HD2 LYS 28 HD2 LYS 28 -3.421 10.317 -2.531
226 HD3 LYS 28 HD1 LYS 28 -2.341 10.009 -1.170
227 HE2 LYS 28 HE2 LYS 28 -1.915 9.214 -4.062
228 HE3 LYS 28 HE1 LYS 28 -0.959 10.354 -3.115
229 HZ1 LYS 28 HZ1 LYS 28 -0.075 8.655 -1.820
230 HZ2 LYS 28 HZ2 LYS 28 -0.069 7.999 -3.387
231 HZ3 LYS 28 HZ3 LYS 28 -1.267 7.540 -2.275
232 H ASP 29 HN ASP 29 -2.922 11.166 0.587
233 HA ASP 29 HA ASP 29 -2.840 13.502 0.334
234 HB2 ASP 29 HB2 ASP 29 -2.425 12.810 -1.979
235 HB3 ASP 29 HB1 ASP 29 -4.161 12.722 -2.282
236 H GLY 30 HN GLY 30 -4.919 12.933 1.999
237 HA2 GLY 30 HA2 GLY 30 -6.865 13.894 2.863
238 HA3 GLY 30 HA1 GLY 30 -6.657 15.181 1.678
239 H ARG 31 HN ARG 31 -6.766 12.974 -0.535
240 HA ARG 31 HA ARG 31 -9.753 12.892 -0.633
241 HB2 ARG 31 HB2 ARG 31 -9.357 12.332 -3.056
242 HB3 ARG 31 HB1 ARG 31 -8.752 13.916 -2.576
243 HG2 ARG 31 HG2 ARG 31 -6.488 12.988 -2.322
244 HG3 ARG 31 HG1 ARG 31 -7.082 11.391 -2.777
245 HD2 ARG 31 HD2 ARG 31 -6.989 13.880 -4.498
246 HD3 ARG 31 HD1 ARG 31 -6.132 12.360 -4.760
247 HE ARG 31 HE ARG 31 -8.796 11.614 -4.771
248 HH11 ARG 31 HH21 ARG 31 -6.858 13.968 -6.381
249 HH12 ARG 31 HH22 ARG 31 -7.807 13.954 -7.830
250 HH21 ARG 31 HH11 ARG 31 -10.047 11.583 -6.654
251 HH22 ARG 31 HH12 ARG 31 -9.613 12.603 -7.985
252 H ARG 32 HN ARG 32 -10.843 10.967 -0.757
253 HA ARG 32 HA ARG 32 -9.302 8.526 -0.116
254 HB2 ARG 32 HB2 ARG 32 -11.350 7.577 0.599
255 HB3 ARG 32 HB1 ARG 32 -11.458 9.265 1.086
256 HG2 ARG 32 HG2 ARG 32 -12.693 9.703 -1.089
257 HG3 ARG 32 HG1 ARG 32 -12.769 7.955 -1.313
258 HD2 ARG 32 HD2 ARG 32 -13.688 8.220 1.283
259 HD3 ARG 32 HD1 ARG 32 -14.337 9.672 0.528
260 HE ARG 32 HE ARG 32 -15.427 7.102 0.230
261 HH11 ARG 32 HH21 ARG 32 -14.236 9.614 -1.822
262 HH12 ARG 32 HH22 ARG 32 -15.128 9.078 -3.202
263 HH21 ARG 32 HH11 ARG 32 -16.599 6.412 -1.556
264 HH22 ARG 32 HH12 ARG 32 -16.467 7.275 -3.052
265 H VAL 33 HN VAL 33 -8.986 6.885 -1.542
266 HA VAL 33 HA VAL 33 -10.358 7.007 -4.217
267 HB VAL 33 HB VAL 33 -7.496 6.213 -3.574
268 HG11 VAL 33 HG11 VAL 33 -7.386 5.993 -6.117
269 HG12 VAL 33 HG12 VAL 33 -9.149 6.044 -6.114
270 HG13 VAL 33 HG13 VAL 33 -8.304 4.732 -5.294
271 HG21 VAL 33 HG21 VAL 33 -7.659 8.604 -3.699
272 HG22 VAL 33 HG22 VAL 33 -8.775 8.528 -5.060
273 HG23 VAL 33 HG23 VAL 33 -7.082 8.090 -5.282
274 H GLU 34 HN GLU 34 -10.775 5.000 -5.186
275 HA GLU 34 HA GLU 34 -11.069 2.760 -3.215
276 HB2 GLU 34 HB2 GLU 34 -12.400 2.968 -5.926
277 HB3 GLU 34 HB1 GLU 34 -12.877 1.973 -4.550
278 HG2 GLU 34 HG2 GLU 34 -13.151 4.256 -3.300
279 HG3 GLU 34 HG1 GLU 34 -13.176 4.953 -4.919
280 H PHE 35 HN PHE 35 -10.580 0.594 -3.921
281 HA PHE 35 HA PHE 35 -8.849 0.300 -6.345
282 HB2 PHE 35 HB2 PHE 35 -8.129 -0.277 -3.470
283 HB3 PHE 35 HB1 PHE 35 -7.406 -1.220 -4.773
284 HD1 PHE 35 HD1 PHE 35 -6.565 0.292 -6.829
285 HD2 PHE 35 HD2 PHE 35 -6.956 1.634 -2.771
286 HE1 PHE 35 HE1 PHE 35 -4.917 2.090 -7.272
287 HE2 PHE 35 HE2 PHE 35 -5.301 3.433 -3.211
288 HZ PHE 35 HZ PHE 35 -4.289 3.664 -5.462
289 H THR 36 HN THR 36 -9.273 -1.599 -7.390
290 HA THR 36 HA THR 36 -11.047 -3.596 -6.006
291 HB THR 36 HB THR 36 -11.755 -4.139 -8.418
292 HG1 THR 36 HG1 THR 36 -10.088 -1.959 -8.742
293 HG21 THR 36 HG21 THR 36 -13.413 -2.350 -8.431
294 HG22 THR 36 HG22 THR 36 -12.423 -1.392 -7.330
295 HG23 THR 36 HG23 THR 36 -13.151 -2.898 -6.775
296 H ALA 37 HN ALA 37 -10.640 -5.813 -6.484
297 HA ALA 37 HA ALA 37 -8.010 -6.675 -6.482
298 HB1 ALA 37 HB1 ALA 37 -8.816 -8.861 -7.152
299 HB2 ALA 37 HB2 ALA 37 -10.265 -8.149 -7.859
300 HB3 ALA 37 HB3 ALA 37 -10.028 -8.114 -6.112
301 H THR 38 HN THR 38 -9.682 -5.346 -9.216
302 HA THR 38 HA THR 38 -8.143 -6.662 -11.266
303 HB THR 38 HB THR 38 -8.909 -4.564 -12.615
304 HG1 THR 38 HG1 THR 38 -10.928 -3.944 -11.142
305 HG21 THR 38 HG21 THR 38 -11.327 -5.425 -12.535
306 HG22 THR 38 HG22 THR 38 -10.761 -6.569 -11.319
307 HG23 THR 38 HG23 THR 38 -10.080 -6.602 -12.946
308 H SER 39 HN SER 39 -7.478 -3.946 -9.138
309 HA SER 39 HA SER 39 -5.008 -3.333 -10.754
310 HB2 SER 39 HB2 SER 39 -5.007 -1.162 -9.640
311 HB3 SER 39 HB1 SER 39 -6.557 -1.427 -10.430
312 HG SER 39 HG SER 39 -7.329 -1.032 -8.511
313 H VAL 40 HN VAL 40 -5.667 -5.395 -8.478
314 HA VAL 40 HA VAL 40 -4.261 -4.776 -6.137
315 HB VAL 40 HB VAL 40 -5.541 -6.886 -6.539
316 HG11 VAL 40 HG11 VAL 40 -4.665 -7.373 -8.802
317 HG12 VAL 40 HG12 VAL 40 -4.473 -8.746 -7.717
318 HG13 VAL 40 HG13 VAL 40 -3.085 -7.731 -8.103
319 HG21 VAL 40 HG21 VAL 40 -2.688 -7.500 -5.737
320 HG22 VAL 40 HG22 VAL 40 -4.152 -8.322 -5.200
321 HG23 VAL 40 HG23 VAL 40 -3.832 -6.668 -4.684
322 H SER 41 HN SER 41 -3.013 -4.883 -9.301
323 HA SER 41 HA SER 41 -0.277 -5.617 -8.509
324 HB2 SER 41 HB2 SER 41 -1.075 -6.234 -10.737
325 HB3 SER 41 HB1 SER 41 -1.402 -4.545 -11.112
326 HG SER 41 HG SER 41 0.957 -5.939 -11.111
327 H ASP 42 HN ASP 42 -1.841 -2.632 -9.790
328 HA ASP 42 HA ASP 42 0.481 -1.018 -9.483
329 HB2 ASP 42 HB2 ASP 42 -0.946 0.892 -9.738
330 HB3 ASP 42 HB1 ASP 42 -1.601 -0.379 -10.766
331 H LEU 43 HN LEU 43 -1.818 -2.179 -7.115
332 HA LEU 43 HA LEU 43 -1.090 -0.200 -5.106
333 HB2 LEU 43 HB2 LEU 43 -3.246 -1.481 -5.038
334 HB3 LEU 43 HB1 LEU 43 -2.316 -2.943 -4.726
335 HG LEU 43 HG LEU 43 -1.299 -1.498 -2.725
336 HD11 LEU 43 HD11 LEU 43 -4.063 -0.316 -2.809
337 HD12 LEU 43 HD12 LEU 43 -2.726 0.502 -3.605
338 HD13 LEU 43 HD13 LEU 43 -2.664 0.198 -1.870
339 HD21 LEU 43 HD21 LEU 43 -3.021 -2.418 -1.242
340 HD22 LEU 43 HD22 LEU 43 -2.611 -3.590 -2.493
341 HD23 LEU 43 HD23 LEU 43 -4.100 -2.658 -2.616
342 H LYS 44 HN LYS 44 -0.087 -3.544 -5.883
343 HA LYS 44 HA LYS 44 1.632 -3.993 -3.697
344 HB2 LYS 44 HB2 LYS 44 1.494 -4.948 -6.518
345 HB3 LYS 44 HB1 LYS 44 3.065 -5.148 -5.745
346 HG2 LYS 44 HG2 LYS 44 1.906 -6.293 -3.830
347 HG3 LYS 44 HG1 LYS 44 0.407 -6.217 -4.752
348 HD2 LYS 44 HD2 LYS 44 2.957 -7.542 -5.723
349 HD3 LYS 44 HD1 LYS 44 1.599 -8.403 -5.003
350 HE2 LYS 44 HE2 LYS 44 0.180 -7.217 -6.854
351 HE3 LYS 44 HE1 LYS 44 1.736 -6.973 -7.649
352 HZ1 LYS 44 HZ1 LYS 44 2.119 -9.394 -7.395
353 HZ2 LYS 44 HZ2 LYS 44 0.817 -9.011 -8.416
354 HZ3 LYS 44 HZ3 LYS 44 0.527 -9.556 -6.834
355 H LYS 45 HN LYS 45 2.149 -2.014 -6.586
356 HA LYS 45 HA LYS 45 4.948 -1.510 -6.091
357 HB2 LYS 45 HB2 LYS 45 2.866 0.063 -7.638
358 HB3 LYS 45 HB1 LYS 45 4.589 0.441 -7.636
359 HG2 LYS 45 HG2 LYS 45 5.043 -1.892 -8.441
360 HG3 LYS 45 HG1 LYS 45 3.301 -2.132 -8.587
361 HD2 LYS 45 HD2 LYS 45 3.207 -0.155 -10.122
362 HD3 LYS 45 HD1 LYS 45 4.969 -0.070 -10.056
363 HE2 LYS 45 HE2 LYS 45 5.126 -2.355 -10.959
364 HE3 LYS 45 HE1 LYS 45 3.366 -2.464 -11.005
365 HZ1 LYS 45 HZ1 LYS 45 3.330 -0.589 -12.533
366 HZ2 LYS 45 HZ2 LYS 45 4.258 -1.866 -13.161
367 HZ3 LYS 45 HZ3 LYS 45 5.024 -0.502 -12.497
368 H TYR 46 HN TYR 46 1.979 0.296 -5.298
369 HA TYR 46 HA TYR 46 3.154 2.554 -4.081
370 HB2 TYR 46 HB2 TYR 46 0.774 2.462 -4.494
371 HB3 TYR 46 HB1 TYR 46 0.602 1.060 -3.445
372 HD1 TYR 46 HD2 TYR 46 2.164 4.474 -3.184
373 HD2 TYR 46 HD1 TYR 46 -0.400 1.529 -1.386
374 HE1 TYR 46 HE2 TYR 46 1.778 5.983 -1.257
375 HE2 TYR 46 HE1 TYR 46 -0.797 3.047 0.536
376 HH TYR 46 HH TYR 46 -0.520 5.992 0.636
377 H ILE 47 HN ILE 47 2.785 -0.727 -2.895
378 HA ILE 47 HA ILE 47 3.466 -0.045 -0.137
379 HB ILE 47 HB ILE 47 3.294 -2.688 -1.608
380 HG12 ILE 47 HG12 ILE 47 1.557 -1.564 0.607
381 HG13 ILE 47 HG11 ILE 47 1.183 -1.341 -1.101
382 HG21 ILE 47 HG21 ILE 47 4.872 -3.079 0.130
383 HG22 ILE 47 HG22 ILE 47 3.326 -3.602 0.803
384 HG23 ILE 47 HG23 ILE 47 4.004 -2.039 1.259
385 HD11 ILE 47 HD11 ILE 47 0.029 -3.319 -0.047
386 HD12 ILE 47 HD12 ILE 47 1.617 -4.051 0.182
387 HD13 ILE 47 HD13 ILE 47 1.021 -3.727 -1.447
388 H ALA 48 HN ALA 48 5.174 -1.119 -3.020
389 HA ALA 48 HA ALA 48 7.666 -1.681 -1.649
390 HB1 ALA 48 HB1 ALA 48 7.137 -1.076 -4.572
391 HB2 ALA 48 HB2 ALA 48 7.130 -2.679 -3.839
392 HB3 ALA 48 HB3 ALA 48 8.628 -1.752 -3.918
393 H GLU 49 HN GLU 49 6.435 1.092 -3.530
394 HA GLU 49 HA GLU 49 8.805 2.654 -3.399
395 HB2 GLU 49 HB2 GLU 49 5.901 3.481 -3.613
396 HB3 GLU 49 HB1 GLU 49 7.248 4.608 -3.765
397 HG2 GLU 49 HG2 GLU 49 8.133 3.359 -5.661
398 HG3 GLU 49 HG1 GLU 49 6.882 2.129 -5.471
399 H LEU 50 HN LEU 50 6.138 2.312 -1.062
400 HA LEU 50 HA LEU 50 7.108 4.490 0.600
401 HB2 LEU 50 HB2 LEU 50 5.212 2.197 1.218
402 HB3 LEU 50 HB1 LEU 50 5.702 3.371 2.432
403 HG LEU 50 HG LEU 50 4.372 4.080 -0.204
404 HD11 LEU 50 HD11 LEU 50 2.604 3.132 0.972
405 HD12 LEU 50 HD12 LEU 50 2.520 4.779 1.582
406 HD13 LEU 50 HD13 LEU 50 3.292 3.520 2.547
407 HD21 LEU 50 HD21 LEU 50 5.434 6.066 0.338
408 HD22 LEU 50 HD22 LEU 50 5.529 5.679 2.055
409 HD23 LEU 50 HD23 LEU 50 4.016 6.260 1.364
410 H GLU 51 HN GLU 51 7.839 1.046 0.399
411 HA GLU 51 HA GLU 51 9.231 0.868 2.898
412 HB2 GLU 51 HB2 GLU 51 9.547 -0.682 0.311
413 HB3 GLU 51 HB1 GLU 51 10.478 -1.044 1.762
414 HG2 GLU 51 HG2 GLU 51 8.500 -1.553 3.008
415 HG3 GLU 51 HG1 GLU 51 7.459 -0.909 1.738
416 H VAL 52 HN VAL 52 10.134 2.183 -0.241
417 HA VAL 52 HA VAL 52 12.974 2.392 0.481
418 HB VAL 52 HB VAL 52 11.368 3.486 -1.850
419 HG11 VAL 52 HG11 VAL 52 14.307 3.708 -1.163
420 HG12 VAL 52 HG12 VAL 52 13.184 5.009 -1.561
421 HG13 VAL 52 HG13 VAL 52 13.709 3.884 -2.814
422 HG21 VAL 52 HG21 VAL 52 11.606 1.118 -2.050
423 HG22 VAL 52 HG22 VAL 52 13.274 1.163 -1.480
424 HG23 VAL 52 HG23 VAL 52 12.868 1.803 -3.071
425 H GLN 53 HN GLN 53 10.106 4.313 0.890
426 HA GLN 53 HA GLN 53 11.669 6.802 1.297
427 HB2 GLN 53 HB2 GLN 53 8.697 6.201 1.438
428 HB3 GLN 53 HB1 GLN 53 9.394 7.784 1.783
429 HG2 GLN 53 HG2 GLN 53 10.447 7.751 -0.494
430 HG3 GLN 53 HG1 GLN 53 9.572 6.255 -0.828
431 HE21 GLN 53 HE21 GLN 53 7.101 6.942 0.521
432 HE22 GLN 53 HE22 GLN 53 6.366 8.195 -0.357
433 H THR 54 HN THR 54 10.751 4.104 3.083
434 HA THR 54 HA THR 54 11.066 5.606 5.662
435 HB THR 54 HB THR 54 8.900 3.932 4.722
436 HG1 THR 54 HG1 THR 54 8.536 5.787 5.829
437 HG21 THR 54 HG21 THR 54 8.648 2.507 6.746
438 HG22 THR 54 HG22 THR 54 10.270 2.971 7.258
439 HG23 THR 54 HG23 THR 54 10.044 2.039 5.776
440 H GLY 55 HN GLY 55 11.806 2.734 3.761
441 HA2 GLY 55 HA2 GLY 55 13.324 1.426 5.862
442 HA3 GLY 55 HA1 GLY 55 13.352 0.998 4.151
443 H MET 56 HN MET 56 14.263 3.249 2.927
444 HA MET 56 HA MET 56 16.303 4.346 2.415
445 HB2 MET 56 HB2 MET 56 15.510 5.540 4.555
446 HB3 MET 56 HB1 MET 56 16.685 4.541 5.410
447 HG2 MET 56 HG2 MET 56 17.829 6.570 4.886
448 HG3 MET 56 HG1 MET 56 18.416 5.381 3.723
449 HE1 MET 56 HE1 MET 56 15.533 7.891 4.373
450 HE2 MET 56 HE2 MET 56 15.786 9.040 3.062
451 HE3 MET 56 HE3 MET 56 17.049 8.797 4.265
452 H THR 57 HN THR 57 16.575 1.659 2.219
453 HA THR 57 HA THR 57 18.845 0.758 3.884
454 HB THR 57 HB THR 57 16.993 -0.803 3.212
455 HG1 THR 57 HG1 THR 57 18.412 -2.358 3.193
456 HG21 THR 57 HG21 THR 57 18.235 -0.660 0.453
457 HG22 THR 57 HG22 THR 57 16.779 0.234 0.896
458 HG23 THR 57 HG23 THR 57 16.777 -1.530 0.939
459 H GLN 58 HN GLN 58 18.180 1.764 0.561
460 HA GLN 58 HA GLN 58 20.486 1.030 -0.774
461 HB2 GLN 58 HB2 GLN 58 18.581 2.362 -1.732
462 HB3 GLN 58 HB1 GLN 58 19.255 3.793 -0.953
463 HG2 GLN 58 HG2 GLN 58 21.292 3.621 -2.235
464 HG3 GLN 58 HG1 GLN 58 20.812 2.051 -2.880
465 HE21 GLN 58 HE21 GLN 58 20.992 3.039 -5.087
466 HE22 GLN 58 HE22 GLN 58 19.732 4.017 -5.669
467 H ARG 59 HN ARG 59 20.299 3.078 1.970
468 HA ARG 59 HA ARG 59 22.455 4.842 1.645
469 HB2 ARG 59 HB2 ARG 59 21.005 4.821 3.645
470 HB3 ARG 59 HB1 ARG 59 21.721 3.290 4.150
471 HG2 ARG 59 HG2 ARG 59 23.882 4.306 4.448
472 HG3 ARG 59 HG1 ARG 59 23.347 5.801 3.679
473 HD2 ARG 59 HD2 ARG 59 23.405 5.959 6.173
474 HD3 ARG 59 HD1 ARG 59 21.797 6.239 5.505
475 HE ARG 59 HE ARG 59 21.820 3.523 6.045
476 HH11 ARG 59 HH21 ARG 59 22.508 6.422 7.776
477 HH12 ARG 59 HH22 ARG 59 22.012 5.784 9.308
478 HH21 ARG 59 HH11 ARG 59 21.167 2.672 8.035
479 HH22 ARG 59 HH12 ARG 59 21.252 3.661 9.455
480 H ARG 60 HN ARG 60 23.170 2.269 3.914
481 HA ARG 60 HA ARG 60 25.880 2.050 3.285
482 HB2 ARG 60 HB2 ARG 60 24.338 -0.432 4.044
483 HB3 ARG 60 HB1 ARG 60 25.932 0.098 4.582
484 HG2 ARG 60 HG2 ARG 60 24.751 2.075 5.690
485 HG3 ARG 60 HG1 ARG 60 23.240 1.218 5.383
486 HD2 ARG 60 HD2 ARG 60 24.116 0.739 7.654
487 HD3 ARG 60 HD1 ARG 60 24.050 -0.715 6.658
488 HE ARG 60 HE ARG 60 26.621 0.239 6.263
489 HH11 ARG 60 HH21 ARG 60 24.629 -0.534 8.969
490 HH12 ARG 60 HH22 ARG 60 25.954 -1.011 9.975
491 HH21 ARG 60 HH11 ARG 60 28.363 -0.381 7.562
492 HH22 ARG 60 HH12 ARG 60 28.067 -0.924 9.180
493 H ARG 61 HN ARG 61 23.658 -0.587 2.343
494 HA ARG 61 HA ARG 61 24.255 -0.444 -0.461
495 HB2 ARG 61 HB2 ARG 61 25.676 -2.544 -0.539
496 HB3 ARG 61 HB1 ARG 61 26.491 -1.126 0.119
497 HG2 ARG 61 HG2 ARG 61 26.017 -1.895 2.407
498 HG3 ARG 61 HG1 ARG 61 25.166 -3.301 1.767
499 HD2 ARG 61 HD2 ARG 61 27.211 -4.115 0.717
500 HD3 ARG 61 HD1 ARG 61 28.080 -2.666 1.221
501 HE ARG 61 HE ARG 61 27.126 -3.721 3.598
502 HH11 ARG 61 HH21 ARG 61 28.944 -4.864 0.900
503 HH12 ARG 61 HH22 ARG 61 29.854 -6.009 1.829
504 HH21 ARG 61 HH11 ARG 61 28.304 -5.210 4.826
505 HH22 ARG 61 HH12 ARG 61 29.491 -6.205 4.051
506 H GLY 62 HN GLY 62 24.077 -3.172 -1.112
507 HA2 GLY 62 HA2 GLY 62 21.271 -3.656 -0.682
508 HA3 GLY 62 HA1 GLY 62 22.401 -4.787 -1.430
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 7.784 10.370 8.019
2 H2 MET 1 HT2 MET 1 8.692 11.776 7.724
3 H3 MET 1 HT3 MET 1 8.604 11.131 9.293
4 HA MET 1 HA MET 1 10.067 10.093 6.948
5 HB2 MET 1 HB2 MET 1 11.199 11.646 8.525
6 HB3 MET 1 HB1 MET 1 10.830 10.542 9.850
7 HG2 MET 1 HG2 MET 1 12.231 8.837 8.959
8 HG3 MET 1 HG1 MET 1 12.350 9.646 7.397
9 HE1 MET 1 HE1 MET 1 14.668 8.502 8.651
10 HE2 MET 1 HE2 MET 1 15.936 9.701 8.889
11 HE3 MET 1 HE3 MET 1 15.086 9.626 7.349
12 H VAL 2 HN VAL 2 7.897 9.141 9.362
13 HA VAL 2 HA VAL 2 8.839 6.292 9.180
14 HB VAL 2 HB VAL 2 7.628 6.121 11.492
15 HG11 VAL 2 HG11 VAL 2 10.292 7.488 11.049
16 HG12 VAL 2 HG12 VAL 2 9.993 5.783 11.386
17 HG13 VAL 2 HG13 VAL 2 9.735 6.989 12.646
18 HG21 VAL 2 HG21 VAL 2 8.285 9.085 11.434
19 HG22 VAL 2 HG22 VAL 2 7.621 8.184 12.796
20 HG23 VAL 2 HG23 VAL 2 6.651 8.427 11.347
21 H ARG 3 HN ARG 3 7.376 5.936 7.386
22 HA ARG 3 HA ARG 3 4.558 6.585 7.600
23 HB2 ARG 3 HB2 ARG 3 6.236 4.888 5.756
24 HB3 ARG 3 HB1 ARG 3 4.479 4.797 5.668
25 HG2 ARG 3 HG2 ARG 3 5.467 6.476 4.088
26 HG3 ARG 3 HG1 ARG 3 4.322 7.180 5.229
27 HD2 ARG 3 HD2 ARG 3 6.076 8.077 6.584
28 HD3 ARG 3 HD1 ARG 3 7.301 7.127 5.744
29 HE ARG 3 HE ARG 3 6.179 8.690 3.745
30 HH11 ARG 3 HH21 ARG 3 7.593 9.210 6.846
31 HH12 ARG 3 HH22 ARG 3 8.211 10.778 6.448
32 HH21 ARG 3 HH11 ARG 3 6.979 10.735 3.208
33 HH22 ARG 3 HH12 ARG 3 7.863 11.641 4.389
34 H GLN 4 HN GLN 4 6.109 4.756 9.624
35 HA GLN 4 HA GLN 4 5.258 2.139 9.670
36 HB2 GLN 4 HB2 GLN 4 5.250 4.096 11.980
37 HB3 GLN 4 HB1 GLN 4 5.145 2.344 12.156
38 HG2 GLN 4 HG2 GLN 4 7.308 2.107 10.967
39 HG3 GLN 4 HG1 GLN 4 7.421 3.863 10.848
40 HE21 GLN 4 HE21 GLN 4 6.376 1.784 13.602
41 HE22 GLN 4 HE22 GLN 4 7.525 2.396 14.691
42 H GLU 5 HN GLU 5 3.198 4.976 10.355
43 HA GLU 5 HA GLU 5 0.933 3.304 11.202
44 HB2 GLU 5 HB2 GLU 5 1.393 6.231 10.683
45 HB3 GLU 5 HB1 GLU 5 -0.269 5.648 10.700
46 HG2 GLU 5 HG2 GLU 5 -0.093 4.880 12.945
47 HG3 GLU 5 HG1 GLU 5 1.665 5.015 12.939
48 H GLU 6 HN GLU 6 0.915 5.655 8.509
49 HA GLU 6 HA GLU 6 -1.168 4.506 7.071
50 HB2 GLU 6 HB2 GLU 6 -0.408 5.707 5.149
51 HB3 GLU 6 HB1 GLU 6 0.060 6.669 6.548
52 HG2 GLU 6 HG2 GLU 6 2.033 6.679 5.292
53 HG3 GLU 6 HG1 GLU 6 2.319 5.326 6.383
54 H LEU 7 HN LEU 7 2.195 3.437 7.166
55 HA LEU 7 HA LEU 7 2.161 1.655 4.950
56 HB2 LEU 7 HB2 LEU 7 4.253 2.079 6.059
57 HB3 LEU 7 HB1 LEU 7 3.607 1.563 7.612
58 HG LEU 7 HG LEU 7 3.483 -0.749 6.859
59 HD11 LEU 7 HD11 LEU 7 2.868 -0.528 4.557
60 HD12 LEU 7 HD12 LEU 7 4.461 -1.280 4.560
61 HD13 LEU 7 HD13 LEU 7 4.297 0.436 4.199
62 HD21 LEU 7 HD21 LEU 7 5.688 0.266 7.641
63 HD22 LEU 7 HD22 LEU 7 6.147 0.344 5.941
64 HD23 LEU 7 HD23 LEU 7 5.818 -1.216 6.695
65 H ALA 8 HN ALA 8 1.494 0.958 8.401
66 HA ALA 8 HA ALA 8 0.710 -1.725 8.124
67 HB1 ALA 8 HB1 ALA 8 -0.275 0.401 10.040
68 HB2 ALA 8 HB2 ALA 8 1.007 -0.776 10.319
69 HB3 ALA 8 HB3 ALA 8 -0.669 -1.310 10.198
70 H ALA 9 HN ALA 9 -1.112 1.203 7.416
71 HA ALA 9 HA ALA 9 -3.681 -0.118 7.216
72 HB1 ALA 9 HB1 ALA 9 -3.321 2.362 7.554
73 HB2 ALA 9 HB2 ALA 9 -4.469 1.955 6.279
74 HB3 ALA 9 HB3 ALA 9 -2.829 2.453 5.863
75 H ALA 10 HN ALA 10 -1.013 0.421 4.988
76 HA ALA 10 HA ALA 10 -2.536 -0.241 2.604
77 HB1 ALA 10 HB1 ALA 10 0.457 -0.283 3.099
78 HB2 ALA 10 HB2 ALA 10 -0.465 1.085 2.476
79 HB3 ALA 10 HB3 ALA 10 -0.317 -0.389 1.518
80 H ARG 11 HN ARG 11 -0.367 -2.055 4.772
81 HA ARG 11 HA ARG 11 -0.337 -4.487 3.298
82 HB2 ARG 11 HB2 ARG 11 -0.120 -3.939 6.269
83 HB3 ARG 11 HB1 ARG 11 0.085 -5.547 5.577
84 HG2 ARG 11 HG2 ARG 11 1.929 -4.754 4.186
85 HG3 ARG 11 HG1 ARG 11 1.699 -3.108 4.778
86 HD2 ARG 11 HD2 ARG 11 2.228 -3.842 7.065
87 HD3 ARG 11 HD1 ARG 11 2.435 -5.498 6.493
88 HE ARG 11 HE ARG 11 4.191 -4.035 4.928
89 HH11 ARG 11 HH21 ARG 11 3.558 -4.410 8.297
90 HH12 ARG 11 HH22 ARG 11 5.199 -4.126 8.773
91 HH21 ARG 11 HH11 ARG 11 6.338 -3.664 5.530
92 HH22 ARG 11 HH12 ARG 11 6.773 -3.703 7.205
93 H ALA 12 HN ALA 12 -2.644 -3.158 5.623
94 HA ALA 12 HA ALA 12 -4.256 -5.500 5.930
95 HB1 ALA 12 HB1 ALA 12 -6.041 -3.876 6.619
96 HB2 ALA 12 HB2 ALA 12 -4.978 -2.560 6.120
97 HB3 ALA 12 HB3 ALA 12 -4.507 -3.616 7.451
98 H ALA 13 HN ALA 13 -4.356 -2.829 3.577
99 HA ALA 13 HA ALA 13 -6.773 -3.528 2.291
100 HB1 ALA 13 HB1 ALA 13 -5.151 -1.505 1.898
101 HB2 ALA 13 HB2 ALA 13 -6.115 -2.110 0.551
102 HB3 ALA 13 HB3 ALA 13 -4.412 -2.559 0.692
103 H LEU 14 HN LEU 14 -3.533 -4.900 1.988
104 HA LEU 14 HA LEU 14 -4.109 -6.520 -0.328
105 HB2 LEU 14 HB2 LEU 14 -1.807 -6.161 0.165
106 HB3 LEU 14 HB1 LEU 14 -1.997 -6.655 1.839
107 HG LEU 14 HG LEU 14 -2.407 -8.989 1.107
108 HD11 LEU 14 HD11 LEU 14 -3.429 -8.618 -1.062
109 HD12 LEU 14 HD12 LEU 14 -1.940 -9.524 -1.312
110 HD13 LEU 14 HD13 LEU 14 -1.988 -7.795 -1.648
111 HD21 LEU 14 HD21 LEU 14 -0.110 -8.290 1.581
112 HD22 LEU 14 HD22 LEU 14 0.074 -7.710 -0.075
113 HD23 LEU 14 HD23 LEU 14 -0.127 -9.433 0.238
114 H HIS 15 HN HIS 15 -4.475 -7.033 3.165
115 HA HIS 15 HA HIS 15 -5.229 -9.826 2.877
116 HB2 HIS 15 HB2 HIS 15 -4.217 -8.861 4.956
117 HB3 HIS 15 HB1 HIS 15 -5.719 -7.973 5.213
118 HD1 HIS 15 HD1 HIS 15 -5.142 -11.596 4.154
119 HD2 HIS 15 HD2 HIS 15 -7.069 -9.419 7.141
120 HE1 HIS 15 HE1 HIS 15 -6.381 -13.281 5.582
121 H ASP 16 HN ASP 16 -6.986 -6.783 3.164
122 HA ASP 16 HA ASP 16 -9.529 -8.134 3.430
123 HB2 ASP 16 HB2 ASP 16 -8.893 -5.763 4.210
124 HB3 ASP 16 HB1 ASP 16 -9.158 -5.276 2.538
125 H LEU 17 HN LEU 17 -7.696 -6.882 0.672
126 HA LEU 17 HA LEU 17 -9.982 -7.128 -1.138
127 HB2 LEU 17 HB2 LEU 17 -7.039 -6.621 -1.632
128 HB3 LEU 17 HB1 LEU 17 -8.185 -6.841 -2.946
129 HG LEU 17 HG LEU 17 -8.501 -4.774 -0.756
130 HD11 LEU 17 HD11 LEU 17 -7.372 -4.566 -3.559
131 HD12 LEU 17 HD12 LEU 17 -6.533 -4.229 -2.045
132 HD13 LEU 17 HD13 LEU 17 -7.836 -3.174 -2.584
133 HD21 LEU 17 HD21 LEU 17 -10.088 -5.555 -3.191
134 HD22 LEU 17 HD22 LEU 17 -9.992 -3.842 -2.794
135 HD23 LEU 17 HD23 LEU 17 -10.650 -4.977 -1.625
136 H MET 18 HN MET 18 -7.336 -9.265 -0.178
137 HA MET 18 HA MET 18 -8.144 -11.194 -2.308
138 HB2 MET 18 HB2 MET 18 -5.786 -10.815 -2.279
139 HB3 MET 18 HB1 MET 18 -5.715 -10.980 -0.526
140 HG2 MET 18 HG2 MET 18 -4.893 -12.989 -1.861
141 HG3 MET 18 HG1 MET 18 -6.105 -13.338 -0.633
142 HE1 MET 18 HE1 MET 18 -5.972 -11.957 -4.323
143 HE2 MET 18 HE2 MET 18 -6.471 -13.412 -5.184
144 HE3 MET 18 HE3 MET 18 -5.017 -13.439 -4.189
145 H THR 19 HN THR 19 -8.908 -10.554 0.884
146 HA THR 19 HA THR 19 -9.135 -13.405 1.667
147 HB THR 19 HB THR 19 -9.815 -10.822 3.098
148 HG1 THR 19 HG1 THR 19 -7.594 -12.068 2.774
149 HG21 THR 19 HG21 THR 19 -10.261 -13.704 3.870
150 HG22 THR 19 HG22 THR 19 -11.425 -12.380 3.884
151 HG23 THR 19 HG23 THR 19 -10.125 -12.423 5.075
152 H GLY 20 HN GLY 20 -11.096 -10.860 0.303
153 HA2 GLY 20 HA2 GLY 20 -13.143 -12.432 -0.649
154 HA3 GLY 20 HA1 GLY 20 -13.633 -12.127 1.016
155 H LYS 21 HN LYS 21 -13.004 -9.521 1.462
156 HA LYS 21 HA LYS 21 -15.077 -8.082 0.250
157 HB2 LYS 21 HB2 LYS 21 -12.545 -6.647 1.001
158 HB3 LYS 21 HB1 LYS 21 -14.214 -6.155 1.258
159 HG2 LYS 21 HG2 LYS 21 -12.649 -8.267 2.760
160 HG3 LYS 21 HG1 LYS 21 -13.367 -6.790 3.397
161 HD2 LYS 21 HD2 LYS 21 -15.621 -7.846 2.520
162 HD3 LYS 21 HD1 LYS 21 -14.714 -9.355 2.607
163 HE2 LYS 21 HE2 LYS 21 -15.158 -7.406 4.884
164 HE3 LYS 21 HE1 LYS 21 -15.897 -8.998 4.712
165 HZ1 LYS 21 HZ1 LYS 21 -13.430 -9.755 4.537
166 HZ2 LYS 21 HZ2 LYS 21 -14.125 -9.462 6.060
167 HZ3 LYS 21 HZ3 LYS 21 -13.117 -8.297 5.345
168 H ARG 22 HN ARG 22 -15.315 -7.016 -1.677
169 HA ARG 22 HA ARG 22 -13.163 -7.368 -3.686
170 HB2 ARG 22 HB2 ARG 22 -15.938 -6.250 -4.127
171 HB3 ARG 22 HB1 ARG 22 -14.847 -6.945 -5.327
172 HG2 ARG 22 HG2 ARG 22 -15.000 -9.137 -4.172
173 HG3 ARG 22 HG1 ARG 22 -16.141 -8.434 -3.024
174 HD2 ARG 22 HD2 ARG 22 -17.306 -9.649 -4.847
175 HD3 ARG 22 HD1 ARG 22 -17.701 -7.930 -4.852
176 HE ARG 22 HE ARG 22 -15.552 -8.118 -6.590
177 HH11 ARG 22 HH21 ARG 22 -18.615 -9.659 -6.221
178 HH12 ARG 22 HH22 ARG 22 -18.825 -9.944 -7.916
179 HH21 ARG 22 HH11 ARG 22 -15.809 -8.482 -8.805
180 HH22 ARG 22 HH12 ARG 22 -17.236 -9.278 -9.380
181 H VAL 23 HN VAL 23 -14.351 -4.890 -1.629
182 HA VAL 23 HA VAL 23 -12.908 -2.835 -3.281
183 HB VAL 23 HB VAL 23 -15.493 -2.705 -3.285
184 HG11 VAL 23 HG11 VAL 23 -15.626 -3.081 -0.760
185 HG12 VAL 23 HG12 VAL 23 -16.571 -1.734 -1.388
186 HG13 VAL 23 HG13 VAL 23 -15.035 -1.431 -0.579
187 HG21 VAL 23 HG21 VAL 23 -14.044 -0.878 -4.046
188 HG22 VAL 23 HG22 VAL 23 -13.829 -0.336 -2.382
189 HG23 VAL 23 HG23 VAL 23 -15.415 -0.230 -3.145
190 H ALA 24 HN ALA 24 -11.852 -1.182 -2.128
191 HA ALA 24 HA ALA 24 -11.741 -1.322 0.827
192 HB1 ALA 24 HB1 ALA 24 -9.212 -1.375 0.739
193 HB2 ALA 24 HB2 ALA 24 -9.338 -1.765 -0.976
194 HB3 ALA 24 HB3 ALA 24 -9.977 -2.880 0.230
195 H THR 25 HN THR 25 -10.869 0.661 1.726
196 HA THR 25 HA THR 25 -10.536 2.898 -0.266
197 HB THR 25 HB THR 25 -11.564 4.320 1.620
198 HG1 THR 25 HG1 THR 25 -12.096 3.280 3.340
199 HG21 THR 25 HG21 THR 25 -13.923 3.456 1.028
200 HG22 THR 25 HG22 THR 25 -13.093 2.275 0.015
201 HG23 THR 25 HG23 THR 25 -12.897 4.000 -0.298
202 H VAL 26 HN VAL 26 -9.122 4.629 0.455
203 HA VAL 26 HA VAL 26 -7.487 4.122 2.888
204 HB VAL 26 HB VAL 26 -6.172 4.682 0.212
205 HG11 VAL 26 HG11 VAL 26 -4.864 5.362 2.137
206 HG12 VAL 26 HG12 VAL 26 -4.164 3.881 1.484
207 HG13 VAL 26 HG13 VAL 26 -5.162 3.818 2.935
208 HG21 VAL 26 HG21 VAL 26 -7.111 2.506 -0.039
209 HG22 VAL 26 HG22 VAL 26 -6.729 2.067 1.626
210 HG23 VAL 26 HG23 VAL 26 -5.436 2.242 0.443
211 H GLN 27 HN GLN 27 -6.976 6.032 3.893
212 HA GLN 27 HA GLN 27 -7.960 8.526 2.652
213 HB2 GLN 27 HB2 GLN 27 -7.185 9.416 5.003
214 HB3 GLN 27 HB1 GLN 27 -8.624 8.402 4.900
215 HG2 GLN 27 HG2 GLN 27 -7.418 6.457 5.596
216 HG3 GLN 27 HG1 GLN 27 -5.867 7.272 5.415
217 HE21 GLN 27 HE21 GLN 27 -8.846 8.560 6.952
218 HE22 GLN 27 HE22 GLN 27 -8.149 8.768 8.485
219 H LYS 28 HN LYS 28 -6.483 9.261 1.174
220 HA LYS 28 HA LYS 28 -3.676 9.739 2.144
221 HB2 LYS 28 HB2 LYS 28 -4.377 9.268 -0.762
222 HB3 LYS 28 HB1 LYS 28 -2.796 9.201 0.015
223 HG2 LYS 28 HG2 LYS 28 -3.713 7.259 1.400
224 HG3 LYS 28 HG1 LYS 28 -5.068 7.225 0.272
225 HD2 LYS 28 HD2 LYS 28 -2.136 6.917 -0.445
226 HD3 LYS 28 HD1 LYS 28 -3.346 5.635 -0.449
227 HE2 LYS 28 HE2 LYS 28 -3.130 8.012 -2.295
228 HE3 LYS 28 HE1 LYS 28 -3.222 6.302 -2.713
229 HZ1 LYS 28 HZ1 LYS 28 -5.495 6.357 -1.646
230 HZ2 LYS 28 HZ2 LYS 28 -5.340 7.165 -3.133
231 HZ3 LYS 28 HZ3 LYS 28 -5.376 8.049 -1.682
232 H ASP 29 HN ASP 29 -3.188 11.862 2.172
233 HA ASP 29 HA ASP 29 -3.433 14.177 1.835
234 HB2 ASP 29 HB2 ASP 29 -2.640 13.383 -0.440
235 HB3 ASP 29 HB1 ASP 29 -4.331 13.359 -0.941
236 H GLY 30 HN GLY 30 -5.532 13.409 3.258
237 HA2 GLY 30 HA2 GLY 30 -7.831 13.694 3.686
238 HA3 GLY 30 HA1 GLY 30 -7.582 15.214 2.824
239 H ARG 31 HN ARG 31 -7.014 12.260 1.030
240 HA ARG 31 HA ARG 31 -9.676 12.599 -0.334
241 HB2 ARG 31 HB2 ARG 31 -7.701 13.478 -1.647
242 HB3 ARG 31 HB1 ARG 31 -7.074 11.830 -1.680
243 HG2 ARG 31 HG2 ARG 31 -9.135 11.056 -2.784
244 HG3 ARG 31 HG1 ARG 31 -9.783 12.695 -2.737
245 HD2 ARG 31 HD2 ARG 31 -8.836 12.289 -4.942
246 HD3 ARG 31 HD1 ARG 31 -7.824 13.459 -4.093
247 HE ARG 31 HE ARG 31 -6.652 11.019 -3.501
248 HH11 ARG 31 HH21 ARG 31 -7.627 12.704 -6.347
249 HH12 ARG 31 HH22 ARG 31 -6.390 12.012 -7.342
250 HH21 ARG 31 HH11 ARG 31 -5.030 10.105 -4.784
251 HH22 ARG 31 HH12 ARG 31 -4.919 10.541 -6.458
252 H ARG 32 HN ARG 32 -10.684 10.713 -1.015
253 HA ARG 32 HA ARG 32 -9.604 8.173 0.143
254 HB2 ARG 32 HB2 ARG 32 -12.401 9.006 -0.689
255 HB3 ARG 32 HB1 ARG 32 -11.976 7.389 -0.126
256 HG2 ARG 32 HG2 ARG 32 -11.468 8.136 2.048
257 HG3 ARG 32 HG1 ARG 32 -11.287 9.814 1.534
258 HD2 ARG 32 HD2 ARG 32 -13.886 8.253 1.623
259 HD3 ARG 32 HD1 ARG 32 -13.399 9.524 2.744
260 HE ARG 32 HE ARG 32 -13.261 10.752 0.268
261 HH11 ARG 32 HH21 ARG 32 -15.604 8.930 2.023
262 HH12 ARG 32 HH22 ARG 32 -16.960 9.749 1.324
263 HH21 ARG 32 HH11 ARG 32 -15.019 11.832 -0.656
264 HH22 ARG 32 HH12 ARG 32 -16.629 11.393 -0.193
265 H VAL 33 HN VAL 33 -9.077 6.500 -1.248
266 HA VAL 33 HA VAL 33 -9.905 6.735 -4.132
267 HB VAL 33 HB VAL 33 -7.190 5.788 -3.147
268 HG11 VAL 33 HG11 VAL 33 -6.686 5.871 -5.607
269 HG12 VAL 33 HG12 VAL 33 -8.384 6.233 -5.906
270 HG13 VAL 33 HG13 VAL 33 -7.927 4.684 -5.203
271 HG21 VAL 33 HG21 VAL 33 -6.481 7.900 -4.511
272 HG22 VAL 33 HG22 VAL 33 -7.126 8.154 -2.894
273 HG23 VAL 33 HG23 VAL 33 -8.153 8.421 -4.302
274 H GLU 34 HN GLU 34 -10.400 4.820 -5.133
275 HA GLU 34 HA GLU 34 -10.789 2.483 -3.302
276 HB2 GLU 34 HB2 GLU 34 -12.032 3.036 -6.015
277 HB3 GLU 34 HB1 GLU 34 -12.485 1.753 -4.894
278 HG2 GLU 34 HG2 GLU 34 -13.273 3.350 -3.269
279 HG3 GLU 34 HG1 GLU 34 -12.625 4.699 -4.202
280 H PHE 35 HN PHE 35 -10.263 0.377 -4.029
281 HA PHE 35 HA PHE 35 -8.545 0.088 -6.457
282 HB2 PHE 35 HB2 PHE 35 -7.816 -0.550 -3.596
283 HB3 PHE 35 HB1 PHE 35 -7.095 -1.446 -4.931
284 HD1 PHE 35 HD2 PHE 35 -6.277 0.165 -6.946
285 HD2 PHE 35 HD1 PHE 35 -6.616 1.304 -2.824
286 HE1 PHE 35 HE2 PHE 35 -4.621 1.969 -7.316
287 HE2 PHE 35 HE1 PHE 35 -4.945 3.102 -3.186
288 HZ PHE 35 HZ PHE 35 -3.956 3.443 -5.435
289 H THR 36 HN THR 36 -8.989 -1.831 -7.496
290 HA THR 36 HA THR 36 -10.808 -3.775 -6.093
291 HB THR 36 HB THR 36 -11.511 -4.342 -8.497
292 HG1 THR 36 HG1 THR 36 -10.300 -1.813 -8.923
293 HG21 THR 36 HG21 THR 36 -12.114 -1.556 -7.470
294 HG22 THR 36 HG22 THR 36 -12.885 -3.032 -6.890
295 HG23 THR 36 HG23 THR 36 -13.121 -2.511 -8.557
296 H ALA 37 HN ALA 37 -10.446 -6.006 -6.525
297 HA ALA 37 HA ALA 37 -7.832 -6.924 -6.485
298 HB1 ALA 37 HB1 ALA 37 -8.698 -9.108 -7.196
299 HB2 ALA 37 HB2 ALA 37 -10.171 -8.342 -7.789
300 HB3 ALA 37 HB3 ALA 37 -9.813 -8.346 -6.062
301 H THR 38 HN THR 38 -9.474 -5.635 -9.264
302 HA THR 38 HA THR 38 -7.907 -7.019 -11.257
303 HB THR 38 HB THR 38 -8.701 -4.996 -12.694
304 HG1 THR 38 HG1 THR 38 -10.038 -4.603 -10.233
305 HG21 THR 38 HG21 THR 38 -10.555 -6.945 -11.312
306 HG22 THR 38 HG22 THR 38 -9.833 -7.083 -12.915
307 HG23 THR 38 HG23 THR 38 -11.094 -5.887 -12.616
308 H SER 39 HN SER 39 -7.314 -4.234 -9.211
309 HA SER 39 HA SER 39 -4.856 -3.594 -10.831
310 HB2 SER 39 HB2 SER 39 -4.897 -1.414 -9.746
311 HB3 SER 39 HB1 SER 39 -6.450 -1.719 -10.513
312 HG SER 39 HG SER 39 -6.053 -2.503 -7.848
313 H VAL 40 HN VAL 40 -5.453 -5.667 -8.574
314 HA VAL 40 HA VAL 40 -4.045 -5.019 -6.227
315 HB VAL 40 HB VAL 40 -5.367 -7.150 -6.788
316 HG11 VAL 40 HG11 VAL 40 -4.062 -7.696 -8.852
317 HG12 VAL 40 HG12 VAL 40 -4.158 -9.029 -7.706
318 HG13 VAL 40 HG13 VAL 40 -2.678 -8.084 -7.828
319 HG21 VAL 40 HG21 VAL 40 -4.153 -8.501 -5.182
320 HG22 VAL 40 HG22 VAL 40 -4.044 -6.816 -4.680
321 HG23 VAL 40 HG23 VAL 40 -2.672 -7.591 -5.473
322 H SER 41 HN SER 41 -2.827 -5.146 -9.401
323 HA SER 41 HA SER 41 -0.091 -5.910 -8.642
324 HB2 SER 41 HB2 SER 41 -0.957 -6.508 -10.860
325 HB3 SER 41 HB1 SER 41 -1.207 -4.804 -11.233
326 HG SER 41 HG SER 41 0.762 -5.307 -12.059
327 H ASP 42 HN ASP 42 -1.610 -2.904 -9.929
328 HA ASP 42 HA ASP 42 0.748 -1.344 -9.629
329 HB2 ASP 42 HB2 ASP 42 -1.752 0.186 -9.180
330 HB3 ASP 42 HB1 ASP 42 -0.520 0.388 -10.420
331 H LEU 43 HN LEU 43 -1.543 -2.492 -7.256
332 HA LEU 43 HA LEU 43 -0.798 -0.518 -5.247
333 HB2 LEU 43 HB2 LEU 43 -2.961 -1.777 -5.173
334 HB3 LEU 43 HB1 LEU 43 -2.041 -3.249 -4.878
335 HG LEU 43 HG LEU 43 -1.006 -1.845 -2.868
336 HD11 LEU 43 HD11 LEU 43 -3.748 -0.616 -2.913
337 HD12 LEU 43 HD12 LEU 43 -2.416 0.187 -3.732
338 HD13 LEU 43 HD13 LEU 43 -2.326 -0.124 -2.000
339 HD21 LEU 43 HD21 LEU 43 -2.340 -3.912 -2.640
340 HD22 LEU 43 HD22 LEU 43 -3.821 -2.972 -2.786
341 HD23 LEU 43 HD23 LEU 43 -2.764 -2.738 -1.395
342 H LYS 44 HN LYS 44 0.191 -3.836 -6.091
343 HA LYS 44 HA LYS 44 1.913 -4.373 -3.929
344 HB2 LYS 44 HB2 LYS 44 1.842 -5.170 -6.815
345 HB3 LYS 44 HB1 LYS 44 3.352 -5.468 -5.958
346 HG2 LYS 44 HG2 LYS 44 2.132 -6.739 -4.234
347 HG3 LYS 44 HG1 LYS 44 0.616 -6.445 -5.086
348 HD2 LYS 44 HD2 LYS 44 1.514 -7.609 -7.077
349 HD3 LYS 44 HD1 LYS 44 3.018 -7.918 -6.211
350 HE2 LYS 44 HE2 LYS 44 1.698 -9.154 -4.476
351 HE3 LYS 44 HE1 LYS 44 0.264 -8.950 -5.483
352 HZ1 LYS 44 HZ1 LYS 44 1.251 -10.203 -7.212
353 HZ2 LYS 44 HZ2 LYS 44 1.468 -11.096 -5.783
354 HZ3 LYS 44 HZ3 LYS 44 2.763 -10.219 -6.445
355 H LYS 45 HN LYS 45 2.453 -2.314 -6.771
356 HA LYS 45 HA LYS 45 5.239 -1.819 -6.208
357 HB2 LYS 45 HB2 LYS 45 4.147 -1.483 -8.438
358 HB3 LYS 45 HB1 LYS 45 3.290 -0.096 -7.763
359 HG2 LYS 45 HG2 LYS 45 5.352 1.056 -7.318
360 HG3 LYS 45 HG1 LYS 45 6.296 -0.374 -7.722
361 HD2 LYS 45 HD2 LYS 45 6.385 1.096 -9.632
362 HD3 LYS 45 HD1 LYS 45 5.334 -0.254 -10.053
363 HE2 LYS 45 HE2 LYS 45 3.369 1.050 -9.798
364 HE3 LYS 45 HE1 LYS 45 4.220 2.313 -8.910
365 HZ1 LYS 45 HZ1 LYS 45 3.821 2.086 -11.679
366 HZ2 LYS 45 HZ2 LYS 45 5.489 2.002 -11.369
367 HZ3 LYS 45 HZ3 LYS 45 4.586 3.332 -10.821
368 H TYR 46 HN TYR 46 2.255 0.025 -5.539
369 HA TYR 46 HA TYR 46 3.430 2.296 -4.365
370 HB2 TYR 46 HB2 TYR 46 1.058 2.202 -4.866
371 HB3 TYR 46 HB1 TYR 46 0.837 0.884 -3.725
372 HD1 TYR 46 HD1 TYR 46 2.554 4.243 -3.547
373 HD2 TYR 46 HD2 TYR 46 -0.362 1.575 -1.847
374 HE1 TYR 46 HE1 TYR 46 2.096 5.881 -1.752
375 HE2 TYR 46 HE2 TYR 46 -0.823 3.226 -0.055
376 HH TYR 46 HH TYR 46 1.041 6.248 0.178
377 H ILE 47 HN ILE 47 3.038 -0.935 -3.079
378 HA ILE 47 HA ILE 47 3.622 -0.147 -0.325
379 HB ILE 47 HB ILE 47 3.526 -2.845 -1.701
380 HG12 ILE 47 HG12 ILE 47 1.720 -1.637 0.417
381 HG13 ILE 47 HG11 ILE 47 1.382 -1.536 -1.310
382 HG21 ILE 47 HG21 ILE 47 5.073 -3.137 0.089
383 HG22 ILE 47 HG22 ILE 47 3.523 -3.670 0.742
384 HG23 ILE 47 HG23 ILE 47 4.154 -2.077 1.157
385 HD11 ILE 47 HD11 ILE 47 1.849 -4.154 0.135
386 HD12 ILE 47 HD12 ILE 47 1.238 -3.930 -1.504
387 HD13 ILE 47 HD13 ILE 47 0.248 -3.464 -0.120
388 H ALA 48 HN ALA 48 5.415 -1.279 -3.127
389 HA ALA 48 HA ALA 48 7.876 -1.801 -1.697
390 HB1 ALA 48 HB1 ALA 48 7.392 -2.812 -3.894
391 HB2 ALA 48 HB2 ALA 48 8.894 -1.886 -3.938
392 HB3 ALA 48 HB3 ALA 48 7.420 -1.212 -4.635
393 H GLU 49 HN GLU 49 6.774 0.948 -3.724
394 HA GLU 49 HA GLU 49 9.138 2.490 -3.461
395 HB2 GLU 49 HB2 GLU 49 7.812 4.402 -4.134
396 HB3 GLU 49 HB1 GLU 49 7.268 2.994 -5.045
397 HG2 GLU 49 HG2 GLU 49 5.474 2.680 -3.288
398 HG3 GLU 49 HG1 GLU 49 5.934 4.255 -2.639
399 H LEU 50 HN LEU 50 6.248 2.399 -1.347
400 HA LEU 50 HA LEU 50 7.167 4.505 0.377
401 HB2 LEU 50 HB2 LEU 50 5.263 2.203 0.903
402 HB3 LEU 50 HB1 LEU 50 5.716 3.333 2.170
403 HG LEU 50 HG LEU 50 4.502 4.151 -0.488
404 HD11 LEU 50 HD11 LEU 50 3.287 3.508 2.196
405 HD12 LEU 50 HD12 LEU 50 2.707 3.103 0.582
406 HD13 LEU 50 HD13 LEU 50 2.545 4.747 1.182
407 HD21 LEU 50 HD21 LEU 50 5.536 5.643 1.901
408 HD22 LEU 50 HD22 LEU 50 4.056 6.251 1.164
409 HD23 LEU 50 HD23 LEU 50 5.522 6.114 0.203
410 H GLU 51 HN GLU 51 7.953 1.063 0.261
411 HA GLU 51 HA GLU 51 9.244 0.962 2.820
412 HB2 GLU 51 HB2 GLU 51 9.633 -0.660 0.292
413 HB3 GLU 51 HB1 GLU 51 10.558 -0.967 1.760
414 HG2 GLU 51 HG2 GLU 51 8.560 -1.432 3.011
415 HG3 GLU 51 HG1 GLU 51 7.536 -0.884 1.684
416 H VAL 52 HN VAL 52 10.294 2.177 -0.326
417 HA VAL 52 HA VAL 52 13.091 2.433 0.547
418 HB VAL 52 HB VAL 52 11.619 3.403 -1.922
419 HG11 VAL 52 HG11 VAL 52 14.507 3.701 -1.071
420 HG12 VAL 52 HG12 VAL 52 13.394 4.966 -1.590
421 HG13 VAL 52 HG13 VAL 52 14.008 3.797 -2.759
422 HG21 VAL 52 HG21 VAL 52 13.204 1.691 -2.975
423 HG22 VAL 52 HG22 VAL 52 11.907 1.027 -1.986
424 HG23 VAL 52 HG23 VAL 52 13.543 1.136 -1.337
425 H GLN 53 HN GLN 53 10.193 4.340 0.694
426 HA GLN 53 HA GLN 53 11.694 6.863 1.095
427 HB2 GLN 53 HB2 GLN 53 8.716 6.259 1.208
428 HB3 GLN 53 HB1 GLN 53 9.429 7.863 1.372
429 HG2 GLN 53 HG2 GLN 53 10.424 7.658 -0.873
430 HG3 GLN 53 HG1 GLN 53 9.722 6.049 -1.040
431 HE21 GLN 53 HE21 GLN 53 7.364 5.895 -1.276
432 HE22 GLN 53 HE22 GLN 53 6.438 7.254 -1.697
433 H THR 54 HN THR 54 10.745 4.205 2.901
434 HA THR 54 HA THR 54 10.913 5.760 5.460
435 HB THR 54 HB THR 54 8.869 3.934 4.460
436 HG1 THR 54 HG1 THR 54 8.088 4.786 6.681
437 HG21 THR 54 HG21 THR 54 10.144 3.247 7.128
438 HG22 THR 54 HG22 THR 54 9.984 2.185 5.729
439 HG23 THR 54 HG23 THR 54 8.549 2.696 6.617
440 H GLY 55 HN GLY 55 11.900 2.996 3.566
441 HA2 GLY 55 HA2 GLY 55 13.340 1.695 5.741
442 HA3 GLY 55 HA1 GLY 55 13.456 1.284 4.025
443 H MET 56 HN MET 56 15.887 1.194 4.713
444 HA MET 56 HA MET 56 17.120 3.720 3.874
445 HB2 MET 56 HB2 MET 56 16.768 3.914 6.385
446 HB3 MET 56 HB1 MET 56 17.893 2.568 6.564
447 HG2 MET 56 HG2 MET 56 19.190 4.577 6.786
448 HG3 MET 56 HG1 MET 56 19.552 3.914 5.192
449 HE1 MET 56 HE1 MET 56 20.404 6.603 5.753
450 HE2 MET 56 HE2 MET 56 19.740 7.691 4.537
451 HE3 MET 56 HE3 MET 56 20.394 6.131 4.048
452 H THR 57 HN THR 57 17.482 1.843 2.223
453 HA THR 57 HA THR 57 20.138 0.633 2.825
454 HB THR 57 HB THR 57 18.186 -1.014 3.243
455 HG1 THR 57 HG1 THR 57 20.546 -1.276 1.997
456 HG21 THR 57 HG21 THR 57 16.972 -0.232 1.129
457 HG22 THR 57 HG22 THR 57 17.097 -1.978 1.350
458 HG23 THR 57 HG23 THR 57 18.173 -1.153 0.216
459 H GLN 58 HN GLN 58 21.058 -0.314 0.721
460 HA GLN 58 HA GLN 58 19.992 0.491 -1.802
461 HB2 GLN 58 HB2 GLN 58 20.705 2.748 -0.796
462 HB3 GLN 58 HB1 GLN 58 22.363 2.169 -0.941
463 HG2 GLN 58 HG2 GLN 58 22.048 1.826 -3.356
464 HG3 GLN 58 HG1 GLN 58 20.378 2.377 -3.223
465 HE21 GLN 58 HE21 GLN 58 22.808 3.594 -4.663
466 HE22 GLN 58 HE22 GLN 58 22.866 5.192 -4.094
467 H ARG 59 HN ARG 59 20.855 -1.914 -1.322
468 HA ARG 59 HA ARG 59 23.420 -2.118 -2.799
469 HB2 ARG 59 HB2 ARG 59 22.945 -3.469 -0.121
470 HB3 ARG 59 HB1 ARG 59 24.345 -3.721 -1.165
471 HG2 ARG 59 HG2 ARG 59 24.775 -1.223 -1.011
472 HG3 ARG 59 HG1 ARG 59 23.541 -1.168 0.249
473 HD2 ARG 59 HD2 ARG 59 25.736 -1.386 1.289
474 HD3 ARG 59 HD1 ARG 59 24.827 -2.877 1.532
475 HE ARG 59 HE ARG 59 26.255 -3.350 -0.793
476 HH11 ARG 59 HH21 ARG 59 26.969 -2.284 2.406
477 HH12 ARG 59 HH22 ARG 59 28.556 -2.978 2.426
478 HH21 ARG 59 HH11 ARG 59 28.323 -4.263 -0.785
479 HH22 ARG 59 HH12 ARG 59 29.323 -4.098 0.619
480 H ARG 60 HN ARG 60 20.294 -2.971 -2.540
481 HA ARG 60 HA ARG 60 20.241 -5.799 -2.807
482 HB2 ARG 60 HB2 ARG 60 18.348 -4.107 -4.430
483 HB3 ARG 60 HB1 ARG 60 18.021 -5.559 -3.480
484 HG2 ARG 60 HG2 ARG 60 18.599 -4.160 -1.412
485 HG3 ARG 60 HG1 ARG 60 18.504 -2.751 -2.471
486 HD2 ARG 60 HD2 ARG 60 16.308 -4.716 -1.794
487 HD3 ARG 60 HD1 ARG 60 16.329 -2.973 -1.520
488 HE ARG 60 HE ARG 60 16.572 -3.210 -4.269
489 HH11 ARG 60 HH21 ARG 60 14.437 -4.399 -1.835
490 HH12 ARG 60 HH22 ARG 60 13.059 -4.451 -2.883
491 HH21 ARG 60 HH11 ARG 60 14.784 -3.271 -5.649
492 HH22 ARG 60 HH12 ARG 60 13.255 -3.812 -5.041
493 H ARG 61 HN ARG 61 21.637 -3.486 -4.849
494 HA ARG 61 HA ARG 61 22.480 -3.599 -7.039
495 HB2 ARG 61 HB2 ARG 61 22.587 -6.483 -6.129
496 HB3 ARG 61 HB1 ARG 61 23.233 -5.960 -7.686
497 HG2 ARG 61 HG2 ARG 61 24.705 -4.348 -6.543
498 HG3 ARG 61 HG1 ARG 61 24.058 -4.859 -4.983
499 HD2 ARG 61 HD2 ARG 61 24.810 -7.216 -5.578
500 HD3 ARG 61 HD1 ARG 61 25.680 -6.504 -6.937
501 HE ARG 61 HE ARG 61 26.543 -5.030 -4.755
502 HH11 ARG 61 HH21 ARG 61 26.320 -8.367 -5.590
503 HH12 ARG 61 HH22 ARG 61 27.701 -8.831 -4.654
504 HH21 ARG 61 HH11 ARG 61 28.347 -5.616 -3.528
505 HH22 ARG 61 HH12 ARG 61 28.849 -7.273 -3.486
506 H GLY 62 HN GLY 62 22.144 -5.506 -9.059
507 HA2 GLY 62 HA2 GLY 62 19.502 -4.865 -9.999
508 HA3 GLY 62 HA1 GLY 62 20.609 -6.004 -10.767
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 10.545 10.336 5.545
2 H2 MET 1 HT2 MET 1 8.975 10.977 5.663
3 H3 MET 1 HT3 MET 1 9.224 9.301 5.792
4 HA MET 1 HA MET 1 10.798 10.683 7.703
5 HB2 MET 1 HB2 MET 1 7.800 11.149 7.743
6 HB3 MET 1 HB1 MET 1 8.891 11.488 9.086
7 HG2 MET 1 HG2 MET 1 10.157 13.059 7.656
8 HG3 MET 1 HG1 MET 1 9.045 12.734 6.326
9 HE1 MET 1 HE1 MET 1 8.809 15.241 6.136
10 HE2 MET 1 HE2 MET 1 9.697 15.673 7.595
11 HE3 MET 1 HE3 MET 1 8.082 16.324 7.330
12 H VAL 2 HN VAL 2 7.578 9.462 8.390
13 HA VAL 2 HA VAL 2 8.653 6.737 8.928
14 HB VAL 2 HB VAL 2 7.403 6.889 11.207
15 HG11 VAL 2 HG11 VAL 2 9.431 7.950 12.277
16 HG12 VAL 2 HG12 VAL 2 10.004 8.347 10.658
17 HG13 VAL 2 HG13 VAL 2 9.805 6.660 11.133
18 HG21 VAL 2 HG21 VAL 2 7.918 9.838 10.677
19 HG22 VAL 2 HG22 VAL 2 7.309 9.141 12.177
20 HG23 VAL 2 HG23 VAL 2 6.322 9.087 10.719
21 H ARG 3 HN ARG 3 7.221 6.187 7.102
22 HA ARG 3 HA ARG 3 4.369 6.731 7.301
23 HB2 ARG 3 HB2 ARG 3 6.109 5.012 5.538
24 HB3 ARG 3 HB1 ARG 3 4.359 4.809 5.498
25 HG2 ARG 3 HG2 ARG 3 5.229 6.433 3.786
26 HG3 ARG 3 HG1 ARG 3 4.039 7.128 4.884
27 HD2 ARG 3 HD2 ARG 3 5.711 8.264 6.143
28 HD3 ARG 3 HD1 ARG 3 7.010 7.327 5.402
29 HE ARG 3 HE ARG 3 5.837 8.617 3.255
30 HH11 ARG 3 HH21 ARG 3 7.092 9.536 6.331
31 HH12 ARG 3 HH22 ARG 3 7.607 11.102 5.801
32 HH21 ARG 3 HH11 ARG 3 6.501 10.658 2.546
33 HH22 ARG 3 HH12 ARG 3 7.272 11.738 3.660
34 H GLN 4 HN GLN 4 6.046 5.137 9.408
35 HA GLN 4 HA GLN 4 5.353 2.486 9.661
36 HB2 GLN 4 HB2 GLN 4 5.197 4.579 11.845
37 HB3 GLN 4 HB1 GLN 4 5.294 2.837 12.110
38 HG2 GLN 4 HG2 GLN 4 7.449 2.805 10.849
39 HG3 GLN 4 HG1 GLN 4 7.366 4.563 10.724
40 HE21 GLN 4 HE21 GLN 4 9.571 3.604 12.059
41 HE22 GLN 4 HE22 GLN 4 9.415 3.834 13.733
42 H GLU 5 HN GLU 5 3.155 5.242 10.276
43 HA GLU 5 HA GLU 5 0.981 3.529 11.226
44 HB2 GLU 5 HB2 GLU 5 1.092 6.403 10.262
45 HB3 GLU 5 HB1 GLU 5 -0.387 5.638 10.849
46 HG2 GLU 5 HG2 GLU 5 0.688 6.844 12.684
47 HG3 GLU 5 HG1 GLU 5 0.776 5.109 12.989
48 H GLU 6 HN GLU 6 0.791 5.695 8.396
49 HA GLU 6 HA GLU 6 -1.256 4.351 7.079
50 HB2 GLU 6 HB2 GLU 6 -0.615 5.488 5.076
51 HB3 GLU 6 HB1 GLU 6 -0.174 6.550 6.410
52 HG2 GLU 6 HG2 GLU 6 1.765 6.611 5.107
53 HG3 GLU 6 HG1 GLU 6 2.160 5.337 6.258
54 H LEU 7 HN LEU 7 2.161 3.490 7.157
55 HA LEU 7 HA LEU 7 2.241 1.586 5.054
56 HB2 LEU 7 HB2 LEU 7 4.287 2.176 6.184
57 HB3 LEU 7 HB1 LEU 7 3.633 1.697 7.745
58 HG LEU 7 HG LEU 7 3.652 -0.646 7.106
59 HD11 LEU 7 HD11 LEU 7 4.448 0.449 4.405
60 HD12 LEU 7 HD12 LEU 7 3.070 -0.575 4.790
61 HD13 LEU 7 HD13 LEU 7 4.700 -1.236 4.854
62 HD21 LEU 7 HD21 LEU 7 5.754 0.300 7.962
63 HD22 LEU 7 HD22 LEU 7 6.231 0.740 6.323
64 HD23 LEU 7 HD23 LEU 7 6.079 -0.959 6.771
65 H ALA 8 HN ALA 8 1.459 1.113 8.508
66 HA ALA 8 HA ALA 8 0.876 -1.632 8.434
67 HB1 ALA 8 HB1 ALA 8 -0.636 -1.121 10.403
68 HB2 ALA 8 HB2 ALA 8 -0.297 0.586 10.120
69 HB3 ALA 8 HB3 ALA 8 1.013 -0.515 10.547
70 H ALA 9 HN ALA 9 -1.267 1.110 7.682
71 HA ALA 9 HA ALA 9 -3.623 -0.540 7.365
72 HB1 ALA 9 HB1 ALA 9 -3.720 1.884 7.870
73 HB2 ALA 9 HB2 ALA 9 -4.651 1.472 6.429
74 HB3 ALA 9 HB3 ALA 9 -3.065 2.229 6.269
75 H ALA 10 HN ALA 10 -1.056 0.451 5.165
76 HA ALA 10 HA ALA 10 -2.483 -0.111 2.731
77 HB1 ALA 10 HB1 ALA 10 0.504 -0.378 3.083
78 HB2 ALA 10 HB2 ALA 10 -0.292 1.194 3.020
79 HB3 ALA 10 HB3 ALA 10 -0.387 0.102 1.638
80 H ARG 11 HN ARG 11 -0.118 -2.105 4.556
81 HA ARG 11 HA ARG 11 -0.329 -4.362 2.842
82 HB2 ARG 11 HB2 ARG 11 0.851 -5.573 4.495
83 HB3 ARG 11 HB1 ARG 11 1.392 -3.910 4.719
84 HG2 ARG 11 HG2 ARG 11 -0.576 -3.759 6.428
85 HG3 ARG 11 HG1 ARG 11 -0.520 -5.519 6.401
86 HD2 ARG 11 HD2 ARG 11 1.890 -5.436 6.993
87 HD3 ARG 11 HD1 ARG 11 1.791 -3.677 7.082
88 HE ARG 11 HE ARG 11 -0.197 -4.530 8.808
89 HH11 ARG 11 HH21 ARG 11 3.163 -5.160 8.366
90 HH12 ARG 11 HH22 ARG 11 3.464 -5.457 10.045
91 HH21 ARG 11 HH11 ARG 11 0.177 -4.914 11.003
92 HH22 ARG 11 HH12 ARG 11 1.773 -5.317 11.538
93 H ALA 12 HN ALA 12 -2.247 -3.296 5.605
94 HA ALA 12 HA ALA 12 -3.801 -5.638 5.999
95 HB1 ALA 12 HB1 ALA 12 -4.660 -2.734 6.239
96 HB2 ALA 12 HB2 ALA 12 -3.903 -3.690 7.514
97 HB3 ALA 12 HB3 ALA 12 -5.514 -4.112 6.933
98 H ALA 13 HN ALA 13 -4.020 -3.061 3.596
99 HA ALA 13 HA ALA 13 -6.579 -3.761 2.531
100 HB1 ALA 13 HB1 ALA 13 -6.075 -2.319 0.753
101 HB2 ALA 13 HB2 ALA 13 -4.353 -2.713 0.789
102 HB3 ALA 13 HB3 ALA 13 -5.051 -1.690 2.043
103 H LEU 14 HN LEU 14 -3.281 -4.894 1.760
104 HA LEU 14 HA LEU 14 -3.952 -6.550 -0.449
105 HB2 LEU 14 HB2 LEU 14 -1.628 -6.231 0.019
106 HB3 LEU 14 HB1 LEU 14 -1.800 -6.794 1.672
107 HG LEU 14 HG LEU 14 -2.263 -9.088 0.850
108 HD11 LEU 14 HD11 LEU 14 -1.836 -9.527 -1.596
109 HD12 LEU 14 HD12 LEU 14 -1.872 -7.786 -1.859
110 HD13 LEU 14 HD13 LEU 14 -3.312 -8.620 -1.280
111 HD21 LEU 14 HD21 LEU 14 0.217 -7.871 -0.396
112 HD22 LEU 14 HD22 LEU 14 -0.015 -9.567 0.025
113 HD23 LEU 14 HD23 LEU 14 0.066 -8.347 1.295
114 H HIS 15 HN HIS 15 -4.282 -7.097 3.027
115 HA HIS 15 HA HIS 15 -5.023 -9.891 2.745
116 HB2 HIS 15 HB2 HIS 15 -4.004 -8.970 4.815
117 HB3 HIS 15 HB1 HIS 15 -5.464 -8.013 5.071
118 HD1 HIS 15 HD1 HIS 15 -4.667 -11.694 4.396
119 HD2 HIS 15 HD2 HIS 15 -7.249 -9.352 6.682
120 HE1 HIS 15 HE1 HIS 15 -6.069 -13.299 5.763
121 H ASP 16 HN ASP 16 -6.827 -6.863 3.096
122 HA ASP 16 HA ASP 16 -9.333 -8.273 3.345
123 HB2 ASP 16 HB2 ASP 16 -8.964 -5.387 2.551
124 HB3 ASP 16 HB1 ASP 16 -10.339 -6.109 3.386
125 H LEU 17 HN LEU 17 -7.539 -6.931 0.609
126 HA LEU 17 HA LEU 17 -9.829 -7.151 -1.195
127 HB2 LEU 17 HB2 LEU 17 -6.885 -6.660 -1.714
128 HB3 LEU 17 HB1 LEU 17 -8.065 -6.810 -3.008
129 HG LEU 17 HG LEU 17 -8.268 -4.807 -0.743
130 HD11 LEU 17 HD11 LEU 17 -7.704 -3.188 -2.655
131 HD12 LEU 17 HD12 LEU 17 -7.151 -4.605 -3.545
132 HD13 LEU 17 HD13 LEU 17 -6.373 -4.158 -2.028
133 HD21 LEU 17 HD21 LEU 17 -10.456 -4.982 -1.548
134 HD22 LEU 17 HD22 LEU 17 -9.936 -5.453 -3.165
135 HD23 LEU 17 HD23 LEU 17 -9.823 -3.773 -2.658
136 H MET 18 HN MET 18 -7.179 -9.295 -0.275
137 HA MET 18 HA MET 18 -8.006 -11.207 -2.420
138 HB2 MET 18 HB2 MET 18 -5.639 -10.785 -2.392
139 HB3 MET 18 HB1 MET 18 -5.557 -11.061 -0.652
140 HG2 MET 18 HG2 MET 18 -5.824 -13.377 -0.871
141 HG3 MET 18 HG1 MET 18 -6.573 -13.242 -2.463
142 HE1 MET 18 HE1 MET 18 -3.871 -12.912 -4.962
143 HE2 MET 18 HE2 MET 18 -5.196 -11.887 -4.416
144 HE3 MET 18 HE3 MET 18 -5.437 -13.627 -4.559
145 H THR 19 HN THR 19 -8.838 -10.589 0.722
146 HA THR 19 HA THR 19 -8.973 -13.445 1.536
147 HB THR 19 HB THR 19 -9.640 -10.853 2.952
148 HG1 THR 19 HG1 THR 19 -7.792 -11.214 3.912
149 HG21 THR 19 HG21 THR 19 -11.293 -12.359 3.751
150 HG22 THR 19 HG22 THR 19 -9.996 -12.427 4.944
151 HG23 THR 19 HG23 THR 19 -10.166 -13.715 3.750
152 H GLY 20 HN GLY 20 -11.000 -10.933 0.198
153 HA2 GLY 20 HA2 GLY 20 -13.049 -12.670 -0.618
154 HA3 GLY 20 HA1 GLY 20 -13.532 -12.074 0.969
155 H LYS 21 HN LYS 21 -13.669 -9.686 1.221
156 HA LYS 21 HA LYS 21 -15.254 -8.440 -0.707
157 HB2 LYS 21 HB2 LYS 21 -13.338 -6.731 0.859
158 HB3 LYS 21 HB1 LYS 21 -15.051 -6.480 0.537
159 HG2 LYS 21 HG2 LYS 21 -15.485 -8.535 1.998
160 HG3 LYS 21 HG1 LYS 21 -13.796 -8.426 2.481
161 HD2 LYS 21 HD2 LYS 21 -14.808 -7.161 4.159
162 HD3 LYS 21 HD1 LYS 21 -14.397 -5.902 2.997
163 HE2 LYS 21 HE2 LYS 21 -16.671 -5.929 2.105
164 HE3 LYS 21 HE1 LYS 21 -17.094 -7.291 3.140
165 HZ1 LYS 21 HZ1 LYS 21 -15.981 -5.205 4.683
166 HZ2 LYS 21 HZ2 LYS 21 -17.522 -5.912 4.796
167 HZ3 LYS 21 HZ3 LYS 21 -17.260 -4.598 3.750
168 H ARG 22 HN ARG 22 -14.871 -7.294 -2.580
169 HA ARG 22 HA ARG 22 -12.129 -7.457 -3.690
170 HB2 ARG 22 HB2 ARG 22 -14.675 -6.527 -5.041
171 HB3 ARG 22 HB1 ARG 22 -13.163 -6.990 -5.822
172 HG2 ARG 22 HG2 ARG 22 -13.436 -9.282 -4.790
173 HG3 ARG 22 HG1 ARG 22 -15.049 -8.786 -4.276
174 HD2 ARG 22 HD2 ARG 22 -14.067 -8.765 -7.145
175 HD3 ARG 22 HD1 ARG 22 -15.093 -10.014 -6.440
176 HE ARG 22 HE ARG 22 -16.470 -7.661 -5.937
177 HH11 ARG 22 HH21 ARG 22 -15.090 -9.221 -8.685
178 HH12 ARG 22 HH22 ARG 22 -16.248 -8.576 -9.799
179 HH21 ARG 22 HH11 ARG 22 -17.990 -6.810 -7.375
180 HH22 ARG 22 HH12 ARG 22 -17.890 -7.210 -9.057
181 H VAL 23 HN VAL 23 -14.153 -5.145 -2.168
182 HA VAL 23 HA VAL 23 -12.638 -2.859 -3.387
183 HB VAL 23 HB VAL 23 -15.209 -2.825 -1.786
184 HG11 VAL 23 HG11 VAL 23 -13.786 -0.709 -3.427
185 HG12 VAL 23 HG12 VAL 23 -13.959 -0.719 -1.671
186 HG13 VAL 23 HG13 VAL 23 -15.379 -0.520 -2.698
187 HG21 VAL 23 HG21 VAL 23 -16.165 -2.253 -4.095
188 HG22 VAL 23 HG22 VAL 23 -15.692 -3.933 -3.844
189 HG23 VAL 23 HG23 VAL 23 -14.643 -2.848 -4.757
190 H ALA 24 HN ALA 24 -11.723 -1.279 -2.040
191 HA ALA 24 HA ALA 24 -11.725 -1.628 0.886
192 HB1 ALA 24 HB1 ALA 24 -9.154 -1.775 -0.732
193 HB2 ALA 24 HB2 ALA 24 -9.868 -3.102 0.179
194 HB3 ALA 24 HB3 ALA 24 -9.246 -1.690 1.027
195 H THR 25 HN THR 25 -10.969 0.349 1.941
196 HA THR 25 HA THR 25 -10.736 2.699 0.068
197 HB THR 25 HB THR 25 -11.851 3.969 1.973
198 HG1 THR 25 HG1 THR 25 -12.296 2.883 3.693
199 HG21 THR 25 HG21 THR 25 -14.082 3.282 1.295
200 HG22 THR 25 HG22 THR 25 -13.465 1.732 0.721
201 HG23 THR 25 HG23 THR 25 -13.016 3.222 -0.110
202 H VAL 26 HN VAL 26 -9.329 4.377 0.680
203 HA VAL 26 HA VAL 26 -7.730 4.081 3.162
204 HB VAL 26 HB VAL 26 -6.349 4.430 0.484
205 HG11 VAL 26 HG11 VAL 26 -5.409 3.775 3.289
206 HG12 VAL 26 HG12 VAL 26 -5.098 5.258 2.386
207 HG13 VAL 26 HG13 VAL 26 -4.375 3.739 1.861
208 HG21 VAL 26 HG21 VAL 26 -5.630 2.032 0.853
209 HG22 VAL 26 HG22 VAL 26 -7.325 2.238 0.415
210 HG23 VAL 26 HG23 VAL 26 -6.877 1.922 2.092
211 H GLN 27 HN GLN 27 -7.270 6.080 4.009
212 HA GLN 27 HA GLN 27 -8.233 8.449 2.529
213 HB2 GLN 27 HB2 GLN 27 -7.188 8.047 5.350
214 HB3 GLN 27 HB1 GLN 27 -7.675 9.617 4.709
215 HG2 GLN 27 HG2 GLN 27 -9.931 8.735 4.248
216 HG3 GLN 27 HG1 GLN 27 -9.447 7.161 4.880
217 HE21 GLN 27 HE21 GLN 27 -9.256 6.919 7.191
218 HE22 GLN 27 HE22 GLN 27 -9.745 8.132 8.274
219 H LYS 28 HN LYS 28 -6.739 9.082 1.002
220 HA LYS 28 HA LYS 28 -3.965 9.695 1.977
221 HB2 LYS 28 HB2 LYS 28 -4.537 8.744 -0.838
222 HB3 LYS 28 HB1 LYS 28 -2.984 8.850 -0.009
223 HG2 LYS 28 HG2 LYS 28 -3.915 7.136 1.649
224 HG3 LYS 28 HG1 LYS 28 -5.222 6.880 0.491
225 HD2 LYS 28 HD2 LYS 28 -2.256 6.536 -0.050
226 HD3 LYS 28 HD1 LYS 28 -3.443 5.242 0.104
227 HE2 LYS 28 HE2 LYS 28 -3.187 7.297 -2.090
228 HE3 LYS 28 HE1 LYS 28 -3.230 5.540 -2.232
229 HZ1 LYS 28 HZ1 LYS 28 -5.346 6.239 -2.862
230 HZ2 LYS 28 HZ2 LYS 28 -5.453 7.387 -1.614
231 HZ3 LYS 28 HZ3 LYS 28 -5.550 5.729 -1.257
232 H ASP 29 HN ASP 29 -3.083 11.608 1.146
233 HA ASP 29 HA ASP 29 -3.231 13.833 0.405
234 HB2 ASP 29 HB2 ASP 29 -4.827 12.607 -1.863
235 HB3 ASP 29 HB1 ASP 29 -3.870 14.088 -1.909
236 H GLY 30 HN GLY 30 -5.165 13.356 2.368
237 HA2 GLY 30 HA2 GLY 30 -7.280 14.042 3.136
238 HA3 GLY 30 HA1 GLY 30 -6.945 15.462 2.144
239 H ARG 31 HN ARG 31 -7.069 12.564 0.299
240 HA ARG 31 HA ARG 31 -9.923 13.119 -0.463
241 HB2 ARG 31 HB2 ARG 31 -8.183 13.911 -2.136
242 HB3 ARG 31 HB1 ARG 31 -7.735 12.218 -2.351
243 HG2 ARG 31 HG2 ARG 31 -10.082 11.694 -2.969
244 HG3 ARG 31 HG1 ARG 31 -10.490 13.402 -2.810
245 HD2 ARG 31 HD2 ARG 31 -8.553 12.163 -4.782
246 HD3 ARG 31 HD1 ARG 31 -10.077 12.971 -5.149
247 HE ARG 31 HE ARG 31 -8.613 14.908 -3.820
248 HH11 ARG 31 HH21 ARG 31 -8.117 12.806 -6.507
249 HH12 ARG 31 HH22 ARG 31 -7.071 13.904 -7.344
250 HH21 ARG 31 HH11 ARG 31 -7.250 16.355 -4.896
251 HH22 ARG 31 HH12 ARG 31 -6.580 15.914 -6.432
252 H ARG 32 HN ARG 32 -11.201 11.347 -0.831
253 HA ARG 32 HA ARG 32 -10.324 8.806 0.284
254 HB2 ARG 32 HB2 ARG 32 -12.699 9.929 0.315
255 HB3 ARG 32 HB1 ARG 32 -12.878 9.200 -1.277
256 HG2 ARG 32 HG2 ARG 32 -13.716 7.487 0.059
257 HG3 ARG 32 HG1 ARG 32 -12.022 7.012 -0.031
258 HD2 ARG 32 HD2 ARG 32 -11.620 8.246 2.120
259 HD3 ARG 32 HD1 ARG 32 -13.353 8.555 2.217
260 HE ARG 32 HE ARG 32 -13.189 5.805 1.920
261 HH11 ARG 32 HH21 ARG 32 -11.826 8.186 4.011
262 HH12 ARG 32 HH22 ARG 32 -11.707 7.116 5.368
263 HH21 ARG 32 HH11 ARG 32 -13.040 4.396 3.680
264 HH22 ARG 32 HH12 ARG 32 -12.395 4.971 5.181
265 H VAL 33 HN VAL 33 -9.631 7.006 -0.874
266 HA VAL 33 HA VAL 33 -9.910 7.054 -3.869
267 HB VAL 33 HB VAL 33 -7.429 6.077 -2.412
268 HG11 VAL 33 HG11 VAL 33 -8.119 6.587 -5.330
269 HG12 VAL 33 HG12 VAL 33 -7.891 5.012 -4.574
270 HG13 VAL 33 HG13 VAL 33 -6.525 6.115 -4.746
271 HG21 VAL 33 HG21 VAL 33 -7.256 8.423 -2.136
272 HG22 VAL 33 HG22 VAL 33 -8.104 8.761 -3.645
273 HG23 VAL 33 HG23 VAL 33 -6.444 8.171 -3.676
274 H GLU 34 HN GLU 34 -10.187 5.055 -4.821
275 HA GLU 34 HA GLU 34 -10.725 2.769 -2.938
276 HB2 GLU 34 HB2 GLU 34 -12.094 3.208 -5.595
277 HB3 GLU 34 HB1 GLU 34 -12.584 2.143 -4.277
278 HG2 GLU 34 HG2 GLU 34 -12.885 4.193 -2.839
279 HG3 GLU 34 HG1 GLU 34 -12.603 5.173 -4.279
280 H PHE 35 HN PHE 35 -10.298 0.663 -3.738
281 HA PHE 35 HA PHE 35 -8.645 0.408 -6.219
282 HB2 PHE 35 HB2 PHE 35 -7.919 -0.435 -3.411
283 HB3 PHE 35 HB1 PHE 35 -7.209 -1.210 -4.823
284 HD1 PHE 35 HD1 PHE 35 -6.374 0.569 -6.685
285 HD2 PHE 35 HD2 PHE 35 -6.710 1.335 -2.475
286 HE1 PHE 35 HE1 PHE 35 -4.696 2.379 -6.886
287 HE2 PHE 35 HE2 PHE 35 -5.020 3.139 -2.670
288 HZ PHE 35 HZ PHE 35 -4.022 3.671 -4.878
289 H THR 36 HN THR 36 -9.158 -1.455 -7.327
290 HA THR 36 HA THR 36 -10.977 -3.429 -5.965
291 HB THR 36 HB THR 36 -11.732 -3.878 -8.398
292 HG1 THR 36 HG1 THR 36 -11.457 -1.591 -9.425
293 HG21 THR 36 HG21 THR 36 -13.095 -2.713 -6.674
294 HG22 THR 36 HG22 THR 36 -13.374 -2.072 -8.293
295 HG23 THR 36 HG23 THR 36 -12.359 -1.185 -7.156
296 H ALA 37 HN ALA 37 -10.655 -5.651 -6.541
297 HA ALA 37 HA ALA 37 -8.059 -6.599 -6.570
298 HB1 ALA 37 HB1 ALA 37 -10.514 -7.830 -7.841
299 HB2 ALA 37 HB2 ALA 37 -9.895 -8.117 -6.214
300 HB3 ALA 37 HB3 ALA 37 -8.994 -8.696 -7.615
301 H THR 38 HN THR 38 -9.690 -5.132 -9.272
302 HA THR 38 HA THR 38 -8.174 -6.394 -11.360
303 HB THR 38 HB THR 38 -9.320 -3.603 -11.493
304 HG1 THR 38 HG1 THR 38 -11.293 -4.528 -11.860
305 HG21 THR 38 HG21 THR 38 -9.774 -4.312 -13.835
306 HG22 THR 38 HG22 THR 38 -8.988 -5.854 -13.494
307 HG23 THR 38 HG23 THR 38 -8.056 -4.358 -13.440
308 H SER 39 HN SER 39 -7.439 -3.804 -9.117
309 HA SER 39 HA SER 39 -4.955 -3.163 -10.695
310 HB2 SER 39 HB2 SER 39 -4.906 -1.065 -9.439
311 HB3 SER 39 HB1 SER 39 -6.449 -1.243 -10.265
312 HG SER 39 HG SER 39 -6.301 -2.330 -7.723
313 H VAL 40 HN VAL 40 -5.638 -5.354 -8.574
314 HA VAL 40 HA VAL 40 -4.215 -4.901 -6.193
315 HB VAL 40 HB VAL 40 -5.595 -6.927 -6.706
316 HG11 VAL 40 HG11 VAL 40 -3.157 -7.823 -8.273
317 HG12 VAL 40 HG12 VAL 40 -4.704 -7.350 -8.981
318 HG13 VAL 40 HG13 VAL 40 -4.603 -8.778 -7.956
319 HG21 VAL 40 HG21 VAL 40 -3.904 -6.868 -4.823
320 HG22 VAL 40 HG22 VAL 40 -2.778 -7.694 -5.899
321 HG23 VAL 40 HG23 VAL 40 -4.281 -8.482 -5.419
322 H SER 41 HN SER 41 -2.975 -4.922 -9.369
323 HA SER 41 HA SER 41 -0.277 -5.822 -8.615
324 HB2 SER 41 HB2 SER 41 -1.097 -6.314 -10.860
325 HB3 SER 41 HB1 SER 41 -1.357 -4.599 -11.168
326 HG SER 41 HG SER 41 0.700 -4.383 -11.547
327 H ASP 42 HN ASP 42 -1.676 -2.718 -9.790
328 HA ASP 42 HA ASP 42 0.740 -1.258 -9.386
329 HB2 ASP 42 HB2 ASP 42 -1.677 0.383 -8.954
330 HB3 ASP 42 HB1 ASP 42 -0.444 0.516 -10.202
331 H LEU 43 HN LEU 43 -1.666 -2.386 -7.113
332 HA LEU 43 HA LEU 43 -0.918 -0.498 -5.033
333 HB2 LEU 43 HB2 LEU 43 -3.109 -1.701 -5.030
334 HB3 LEU 43 HB1 LEU 43 -2.233 -3.205 -4.761
335 HG LEU 43 HG LEU 43 -1.194 -1.872 -2.695
336 HD11 LEU 43 HD11 LEU 43 -2.493 -0.152 -1.803
337 HD12 LEU 43 HD12 LEU 43 -3.913 -0.599 -2.742
338 HD13 LEU 43 HD13 LEU 43 -2.560 0.202 -3.528
339 HD21 LEU 43 HD21 LEU 43 -2.581 -3.925 -2.561
340 HD22 LEU 43 HD22 LEU 43 -4.034 -2.936 -2.659
341 HD23 LEU 43 HD23 LEU 43 -2.960 -2.789 -1.268
342 H LYS 44 HN LYS 44 -0.024 -3.857 -5.866
343 HA LYS 44 HA LYS 44 1.652 -4.419 -3.675
344 HB2 LYS 44 HB2 LYS 44 1.598 -5.273 -6.549
345 HB3 LYS 44 HB1 LYS 44 3.052 -5.655 -5.627
346 HG2 LYS 44 HG2 LYS 44 1.774 -6.880 -3.986
347 HG3 LYS 44 HG1 LYS 44 0.252 -6.351 -4.702
348 HD2 LYS 44 HD2 LYS 44 0.575 -7.674 -6.646
349 HD3 LYS 44 HD1 LYS 44 2.289 -7.908 -6.301
350 HE2 LYS 44 HE2 LYS 44 0.685 -9.872 -5.789
351 HE3 LYS 44 HE1 LYS 44 1.847 -9.422 -4.541
352 HZ1 LYS 44 HZ1 LYS 44 -1.013 -8.640 -4.682
353 HZ2 LYS 44 HZ2 LYS 44 0.091 -8.015 -3.551
354 HZ3 LYS 44 HZ3 LYS 44 -0.293 -9.670 -3.544
355 H LYS 45 HN LYS 45 2.298 -2.408 -6.521
356 HA LYS 45 HA LYS 45 5.118 -2.057 -5.896
357 HB2 LYS 45 HB2 LYS 45 3.233 -0.486 -7.676
358 HB3 LYS 45 HB1 LYS 45 4.972 -0.201 -7.580
359 HG2 LYS 45 HG2 LYS 45 5.346 -2.597 -8.215
360 HG3 LYS 45 HG1 LYS 45 3.605 -2.764 -8.450
361 HD2 LYS 45 HD2 LYS 45 3.642 -1.009 -10.163
362 HD3 LYS 45 HD1 LYS 45 5.371 -0.775 -9.906
363 HE2 LYS 45 HE2 LYS 45 5.767 -3.137 -10.572
364 HE3 LYS 45 HE1 LYS 45 4.043 -3.315 -10.894
365 HZ1 LYS 45 HZ1 LYS 45 5.803 -1.316 -12.204
366 HZ2 LYS 45 HZ2 LYS 45 4.171 -1.622 -12.565
367 HZ3 LYS 45 HZ3 LYS 45 5.353 -2.798 -12.894
368 H TYR 46 HN TYR 46 2.151 -0.386 -5.043
369 HA TYR 46 HA TYR 46 3.347 2.034 -4.072
370 HB2 TYR 46 HB2 TYR 46 0.965 1.868 -4.580
371 HB3 TYR 46 HB1 TYR 46 0.770 0.635 -3.344
372 HD1 TYR 46 HD1 TYR 46 2.429 4.028 -3.426
373 HD2 TYR 46 HD2 TYR 46 -0.435 1.443 -1.520
374 HE1 TYR 46 HE1 TYR 46 1.941 5.790 -1.759
375 HE2 TYR 46 HE2 TYR 46 -0.927 3.217 0.143
376 HH TYR 46 HH TYR 46 -0.416 5.247 0.863
377 H ILE 47 HN ILE 47 2.917 -1.155 -2.669
378 HA ILE 47 HA ILE 47 3.552 -0.267 0.050
379 HB ILE 47 HB ILE 47 3.366 -3.032 -1.179
380 HG12 ILE 47 HG12 ILE 47 1.552 -1.663 0.826
381 HG13 ILE 47 HG11 ILE 47 1.255 -1.621 -0.910
382 HG21 ILE 47 HG21 ILE 47 3.285 -3.710 1.300
383 HG22 ILE 47 HG22 ILE 47 3.931 -2.106 1.647
384 HG23 ILE 47 HG23 ILE 47 4.866 -3.239 0.671
385 HD11 ILE 47 HD11 ILE 47 1.313 -4.137 -0.908
386 HD12 ILE 47 HD12 ILE 47 -0.023 -3.454 0.018
387 HD13 ILE 47 HD13 ILE 47 1.399 -4.080 0.852
388 H ALA 48 HN ALA 48 5.263 -1.688 -2.685
389 HA ALA 48 HA ALA 48 7.729 -2.148 -1.232
390 HB1 ALA 48 HB1 ALA 48 7.246 -1.855 -4.210
391 HB2 ALA 48 HB2 ALA 48 7.180 -3.368 -3.308
392 HB3 ALA 48 HB3 ALA 48 8.707 -2.502 -3.464
393 H GLU 49 HN GLU 49 6.583 0.427 -3.421
394 HA GLU 49 HA GLU 49 8.998 1.934 -3.423
395 HB2 GLU 49 HB2 GLU 49 6.128 2.835 -3.773
396 HB3 GLU 49 HB1 GLU 49 7.529 3.860 -4.075
397 HG2 GLU 49 HG2 GLU 49 7.149 1.170 -5.407
398 HG3 GLU 49 HG1 GLU 49 6.589 2.682 -6.123
399 H LEU 50 HN LEU 50 6.294 1.897 -1.108
400 HA LEU 50 HA LEU 50 7.254 4.251 0.297
401 HB2 LEU 50 HB2 LEU 50 5.329 2.062 1.143
402 HB3 LEU 50 HB1 LEU 50 5.827 3.342 2.239
403 HG LEU 50 HG LEU 50 4.540 3.812 -0.470
404 HD11 LEU 50 HD11 LEU 50 2.700 3.065 0.693
405 HD12 LEU 50 HD12 LEU 50 2.702 4.711 1.309
406 HD13 LEU 50 HD13 LEU 50 3.403 3.409 2.271
407 HD21 LEU 50 HD21 LEU 50 5.611 5.830 -0.097
408 HD22 LEU 50 HD22 LEU 50 5.689 5.599 1.648
409 HD23 LEU 50 HD23 LEU 50 4.187 6.130 0.894
410 H GLU 51 HN GLU 51 7.958 0.792 0.566
411 HA GLU 51 HA GLU 51 9.321 0.971 3.082
412 HB2 GLU 51 HB2 GLU 51 9.495 -0.963 0.765
413 HB3 GLU 51 HB1 GLU 51 10.626 -1.084 2.111
414 HG2 GLU 51 HG2 GLU 51 7.621 -1.025 2.457
415 HG3 GLU 51 HG1 GLU 51 8.558 -2.513 2.345
416 H VAL 52 HN VAL 52 10.270 1.785 -0.207
417 HA VAL 52 HA VAL 52 13.098 2.113 0.519
418 HB VAL 52 HB VAL 52 11.541 2.854 -1.976
419 HG11 VAL 52 HG11 VAL 52 14.474 3.101 -1.279
420 HG12 VAL 52 HG12 VAL 52 13.393 4.361 -1.873
421 HG13 VAL 52 HG13 VAL 52 13.900 3.055 -2.946
422 HG21 VAL 52 HG21 VAL 52 13.375 0.569 -1.218
423 HG22 VAL 52 HG22 VAL 52 13.021 0.969 -2.898
424 HG23 VAL 52 HG23 VAL 52 11.719 0.479 -1.817
425 H GLN 53 HN GLN 53 10.216 4.045 0.574
426 HA GLN 53 HA GLN 53 11.748 6.587 0.642
427 HB2 GLN 53 HB2 GLN 53 8.776 5.980 0.744
428 HB3 GLN 53 HB1 GLN 53 9.451 7.605 0.870
429 HG2 GLN 53 HG2 GLN 53 10.554 7.310 -1.325
430 HG3 GLN 53 HG1 GLN 53 9.843 5.702 -1.457
431 HE21 GLN 53 HE21 GLN 53 7.359 6.925 0.011
432 HE22 GLN 53 HE22 GLN 53 6.517 7.698 -1.245
433 H THR 54 HN THR 54 10.765 4.192 2.797
434 HA THR 54 HA THR 54 10.851 6.105 5.110
435 HB THR 54 HB THR 54 8.930 4.066 4.369
436 HG1 THR 54 HG1 THR 54 9.146 5.848 6.558
437 HG21 THR 54 HG21 THR 54 10.190 2.520 5.794
438 HG22 THR 54 HG22 THR 54 8.697 2.991 6.605
439 HG23 THR 54 HG23 THR 54 10.228 3.712 7.093
440 H GLY 55 HN GLY 55 12.335 3.456 3.525
441 HA2 GLY 55 HA2 GLY 55 13.611 2.272 5.844
442 HA3 GLY 55 HA1 GLY 55 14.095 2.025 4.164
443 H MET 56 HN MET 56 14.855 4.401 3.241
444 HA MET 56 HA MET 56 16.327 6.048 5.078
445 HB2 MET 56 HB2 MET 56 17.767 4.073 5.267
446 HB3 MET 56 HB1 MET 56 17.912 3.983 3.511
447 HG2 MET 56 HG2 MET 56 19.104 6.071 3.420
448 HG3 MET 56 HG1 MET 56 18.762 6.405 5.119
449 HE1 MET 56 HE1 MET 56 21.164 5.206 2.626
450 HE2 MET 56 HE2 MET 56 20.269 3.692 2.728
451 HE3 MET 56 HE3 MET 56 21.947 3.753 3.263
452 H THR 57 HN THR 57 17.431 7.838 3.860
453 HA THR 57 HA THR 57 17.568 7.799 0.981
454 HB THR 57 HB THR 57 15.076 7.929 1.321
455 HG1 THR 57 HG1 THR 57 15.444 8.876 -0.516
456 HG21 THR 57 HG21 THR 57 14.089 9.863 2.324
457 HG22 THR 57 HG22 THR 57 15.645 10.689 2.427
458 HG23 THR 57 HG23 THR 57 15.314 9.296 3.459
459 H GLN 58 HN GLN 58 17.232 9.765 3.912
460 HA GLN 58 HA GLN 58 18.222 12.215 3.078
461 HB2 GLN 58 HB2 GLN 58 17.526 11.622 5.421
462 HB3 GLN 58 HB1 GLN 58 19.087 10.824 5.629
463 HG2 GLN 58 HG2 GLN 58 20.264 12.914 5.220
464 HG3 GLN 58 HG1 GLN 58 18.747 13.735 4.849
465 HE21 GLN 58 HE21 GLN 58 17.583 14.613 6.601
466 HE22 GLN 58 HE22 GLN 58 17.983 14.358 8.230
467 H ARG 59 HN ARG 59 20.088 9.276 3.767
468 HA ARG 59 HA ARG 59 22.652 10.582 3.310
469 HB2 ARG 59 HB2 ARG 59 22.340 8.536 4.745
470 HB3 ARG 59 HB1 ARG 59 22.017 7.618 3.273
471 HG2 ARG 59 HG2 ARG 59 24.225 8.177 2.393
472 HG3 ARG 59 HG1 ARG 59 24.551 9.201 3.791
473 HD2 ARG 59 HD2 ARG 59 24.338 7.224 5.272
474 HD3 ARG 59 HD1 ARG 59 24.068 6.208 3.855
475 HE ARG 59 HE ARG 59 26.471 7.477 3.310
476 HH11 ARG 59 HH21 ARG 59 25.148 5.626 5.901
477 HH12 ARG 59 HH22 ARG 59 26.673 4.955 6.376
478 HH21 ARG 59 HH11 ARG 59 28.468 6.612 3.916
479 HH22 ARG 59 HH12 ARG 59 28.552 5.513 5.251
480 H ARG 60 HN ARG 60 23.795 10.683 1.398
481 HA ARG 60 HA ARG 60 22.862 9.122 -0.950
482 HB2 ARG 60 HB2 ARG 60 23.234 12.120 -1.153
483 HB3 ARG 60 HB1 ARG 60 22.550 11.028 -2.356
484 HG2 ARG 60 HG2 ARG 60 20.688 10.522 -0.748
485 HG3 ARG 60 HG1 ARG 60 21.331 11.773 0.316
486 HD2 ARG 60 HD2 ARG 60 19.561 12.737 -1.048
487 HD3 ARG 60 HD1 ARG 60 21.106 13.415 -1.558
488 HE ARG 60 HE ARG 60 20.759 11.233 -3.230
489 HH11 ARG 60 HH21 ARG 60 18.922 14.004 -2.313
490 HH12 ARG 60 HH22 ARG 60 18.105 14.131 -3.835
491 HH21 ARG 60 HH11 ARG 60 19.702 11.383 -5.223
492 HH22 ARG 60 HH12 ARG 60 18.547 12.647 -5.482
493 H ARG 61 HN ARG 61 25.118 8.389 0.113
494 HA ARG 61 HA ARG 61 27.487 9.848 -0.292
495 HB2 ARG 61 HB2 ARG 61 27.312 7.613 0.843
496 HB3 ARG 61 HB1 ARG 61 27.153 6.869 -0.748
497 HG2 ARG 61 HG2 ARG 61 29.339 7.729 -1.413
498 HG3 ARG 61 HG1 ARG 61 29.497 8.584 0.122
499 HD2 ARG 61 HD2 ARG 61 30.734 6.408 0.087
500 HD3 ARG 61 HD1 ARG 61 29.504 6.481 1.348
501 HE ARG 61 HE ARG 61 28.179 5.340 -0.801
502 HH11 ARG 61 HH21 ARG 61 31.097 4.751 0.939
503 HH12 ARG 61 HH22 ARG 61 31.059 3.038 0.685
504 HH21 ARG 61 HH11 ARG 61 28.114 3.106 -1.143
505 HH22 ARG 61 HH12 ARG 61 29.371 2.108 -0.495
506 H GLY 62 HN GLY 62 25.767 7.728 -2.593
507 HA2 GLY 62 HA2 GLY 62 25.864 7.654 -4.936
508 HA3 GLY 62 HA1 GLY 62 26.459 9.314 -4.865
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 8.116 12.647 8.324
2 H2 MET 1 HT2 MET 1 7.425 11.111 8.102
3 H3 MET 1 HT3 MET 1 7.843 12.059 6.756
4 HA MET 1 HA MET 1 9.987 11.467 6.814
5 HB2 MET 1 HB2 MET 1 10.245 12.763 8.953
6 HB3 MET 1 HB1 MET 1 9.806 11.300 9.837
7 HG2 MET 1 HG2 MET 1 11.722 10.113 8.917
8 HG3 MET 1 HG1 MET 1 12.128 11.494 7.897
9 HE1 MET 1 HE1 MET 1 13.942 9.886 9.993
10 HE2 MET 1 HE2 MET 1 14.901 11.185 10.694
11 HE3 MET 1 HE3 MET 1 14.587 11.170 8.961
12 H VAL 2 HN VAL 2 7.603 9.772 8.730
13 HA VAL 2 HA VAL 2 8.653 7.191 7.680
14 HB VAL 2 HB VAL 2 8.487 6.135 9.892
15 HG11 VAL 2 HG11 VAL 2 10.632 7.217 9.165
16 HG12 VAL 2 HG12 VAL 2 10.443 7.153 10.916
17 HG13 VAL 2 HG13 VAL 2 10.155 8.664 10.054
18 HG21 VAL 2 HG21 VAL 2 8.335 7.889 11.872
19 HG22 VAL 2 HG22 VAL 2 6.858 7.285 11.130
20 HG23 VAL 2 HG23 VAL 2 7.486 8.871 10.678
21 H ARG 3 HN ARG 3 6.887 6.396 6.561
22 HA ARG 3 HA ARG 3 4.176 7.174 7.400
23 HB2 ARG 3 HB2 ARG 3 5.342 5.595 5.109
24 HB3 ARG 3 HB1 ARG 3 3.612 5.512 5.438
25 HG2 ARG 3 HG2 ARG 3 4.264 7.287 3.767
26 HG3 ARG 3 HG1 ARG 3 3.370 7.896 5.159
27 HD2 ARG 3 HD2 ARG 3 5.319 8.801 6.158
28 HD3 ARG 3 HD1 ARG 3 6.389 7.858 5.119
29 HE ARG 3 HE ARG 3 4.960 9.446 3.348
30 HH11 ARG 3 HH21 ARG 3 6.868 9.926 6.178
31 HH12 ARG 3 HH22 ARG 3 7.418 11.498 5.702
32 HH21 ARG 3 HH11 ARG 3 5.666 11.496 2.710
33 HH22 ARG 3 HH12 ARG 3 6.737 12.388 3.738
34 H GLN 4 HN GLN 4 5.870 5.465 9.163
35 HA GLN 4 HA GLN 4 5.289 2.761 9.223
36 HB2 GLN 4 HB2 GLN 4 5.454 4.781 11.458
37 HB3 GLN 4 HB1 GLN 4 5.174 3.072 11.794
38 HG2 GLN 4 HG2 GLN 4 7.245 2.436 10.782
39 HG3 GLN 4 HG1 GLN 4 7.471 4.037 10.079
40 HE21 GLN 4 HE21 GLN 4 7.831 5.863 11.680
41 HE22 GLN 4 HE22 GLN 4 8.577 5.509 13.163
42 H GLU 5 HN GLU 5 3.147 5.341 10.488
43 HA GLU 5 HA GLU 5 1.037 3.568 11.344
44 HB2 GLU 5 HB2 GLU 5 1.058 6.482 10.504
45 HB3 GLU 5 HB1 GLU 5 -0.381 5.673 11.131
46 HG2 GLU 5 HG2 GLU 5 0.773 6.799 12.966
47 HG3 GLU 5 HG1 GLU 5 0.905 5.054 13.179
48 H GLU 6 HN GLU 6 1.307 5.466 8.303
49 HA GLU 6 HA GLU 6 -1.103 4.369 7.180
50 HB2 GLU 6 HB2 GLU 6 1.301 5.634 5.830
51 HB3 GLU 6 HB1 GLU 6 -0.192 5.212 4.998
52 HG2 GLU 6 HG2 GLU 6 -1.306 6.675 6.923
53 HG3 GLU 6 HG1 GLU 6 0.306 7.386 7.020
54 H LEU 7 HN LEU 7 2.298 3.426 6.985
55 HA LEU 7 HA LEU 7 2.195 1.471 4.972
56 HB2 LEU 7 HB2 LEU 7 4.162 2.291 6.532
57 HB3 LEU 7 HB1 LEU 7 3.685 0.932 7.545
58 HG LEU 7 HG LEU 7 4.573 0.833 4.647
59 HD11 LEU 7 HD11 LEU 7 5.752 -0.087 7.277
60 HD12 LEU 7 HD12 LEU 7 6.463 1.002 6.086
61 HD13 LEU 7 HD13 LEU 7 6.307 -0.716 5.728
62 HD21 LEU 7 HD21 LEU 7 3.380 -1.276 6.457
63 HD22 LEU 7 HD22 LEU 7 4.389 -1.696 5.073
64 HD23 LEU 7 HD23 LEU 7 2.879 -0.825 4.827
65 H ALA 8 HN ALA 8 1.660 0.974 8.478
66 HA ALA 8 HA ALA 8 0.888 -1.724 8.405
67 HB1 ALA 8 HB1 ALA 8 -0.524 -1.091 10.460
68 HB2 ALA 8 HB2 ALA 8 0.045 0.559 10.196
69 HB3 ALA 8 HB3 ALA 8 1.200 -0.728 10.540
70 H ALA 9 HN ALA 9 -1.099 1.171 7.826
71 HA ALA 9 HA ALA 9 -3.598 -0.227 7.632
72 HB1 ALA 9 HB1 ALA 9 -4.451 1.801 6.620
73 HB2 ALA 9 HB2 ALA 9 -2.819 2.339 6.220
74 HB3 ALA 9 HB3 ALA 9 -3.335 2.259 7.905
75 H ALA 10 HN ALA 10 -1.170 0.666 5.179
76 HA ALA 10 HA ALA 10 -2.630 -0.169 2.892
77 HB1 ALA 10 HB1 ALA 10 -0.543 -0.174 1.735
78 HB2 ALA 10 HB2 ALA 10 0.359 -0.493 3.216
79 HB3 ALA 10 HB3 ALA 10 -0.399 1.080 2.968
80 H ARG 11 HN ARG 11 -0.626 -2.036 5.151
81 HA ARG 11 HA ARG 11 -0.616 -4.469 3.656
82 HB2 ARG 11 HB2 ARG 11 -0.322 -3.833 6.595
83 HB3 ARG 11 HB1 ARG 11 -0.334 -5.504 6.029
84 HG2 ARG 11 HG2 ARG 11 1.592 -5.148 4.654
85 HG3 ARG 11 HG1 ARG 11 1.505 -3.401 4.872
86 HD2 ARG 11 HD2 ARG 11 3.269 -4.398 6.294
87 HD3 ARG 11 HD1 ARG 11 1.998 -3.662 7.269
88 HE ARG 11 HE ARG 11 1.198 -6.303 7.027
89 HH11 ARG 11 HH21 ARG 11 4.051 -4.632 8.006
90 HH12 ARG 11 HH22 ARG 11 4.535 -5.849 9.140
91 HH21 ARG 11 HH11 ARG 11 1.814 -7.902 8.503
92 HH22 ARG 11 HH12 ARG 11 3.268 -7.699 9.422
93 H ALA 12 HN ALA 12 -2.886 -3.129 6.031
94 HA ALA 12 HA ALA 12 -4.572 -5.395 6.311
95 HB1 ALA 12 HB1 ALA 12 -6.347 -3.704 6.888
96 HB2 ALA 12 HB2 ALA 12 -5.218 -2.434 6.412
97 HB3 ALA 12 HB3 ALA 12 -4.839 -3.485 7.778
98 H ALA 13 HN ALA 13 -4.371 -2.954 3.769
99 HA ALA 13 HA ALA 13 -6.857 -3.635 2.494
100 HB1 ALA 13 HB1 ALA 13 -4.479 -2.606 0.956
101 HB2 ALA 13 HB2 ALA 13 -5.289 -1.568 2.129
102 HB3 ALA 13 HB3 ALA 13 -6.189 -2.212 0.756
103 H LEU 14 HN LEU 14 -3.533 -4.851 2.142
104 HA LEU 14 HA LEU 14 -3.988 -6.496 -0.143
105 HB2 LEU 14 HB2 LEU 14 -1.724 -6.114 0.593
106 HB3 LEU 14 HB1 LEU 14 -2.061 -6.788 2.181
107 HG LEU 14 HG LEU 14 -2.410 -9.018 1.177
108 HD11 LEU 14 HD11 LEU 14 -1.686 -9.242 -1.275
109 HD12 LEU 14 HD12 LEU 14 -1.899 -7.497 -1.387
110 HD13 LEU 14 HD13 LEU 14 -3.271 -8.529 -0.994
111 HD21 LEU 14 HD21 LEU 14 -0.084 -9.423 0.491
112 HD22 LEU 14 HD22 LEU 14 -0.138 -8.328 1.873
113 HD23 LEU 14 HD23 LEU 14 0.157 -7.692 0.255
114 H HIS 15 HN HIS 15 -4.693 -6.987 3.277
115 HA HIS 15 HA HIS 15 -5.373 -9.796 2.962
116 HB2 HIS 15 HB2 HIS 15 -4.602 -8.802 5.120
117 HB3 HIS 15 HB1 HIS 15 -6.117 -7.901 5.197
118 HD1 HIS 15 HD1 HIS 15 -5.497 -11.542 4.241
119 HD2 HIS 15 HD2 HIS 15 -7.635 -9.305 7.035
120 HE1 HIS 15 HE1 HIS 15 -6.884 -13.193 5.570
121 H ASP 16 HN ASP 16 -7.231 -6.781 3.083
122 HA ASP 16 HA ASP 16 -9.741 -8.213 3.049
123 HB2 ASP 16 HB2 ASP 16 -9.366 -5.858 3.934
124 HB3 ASP 16 HB1 ASP 16 -9.323 -5.330 2.252
125 H LEU 17 HN LEU 17 -7.658 -6.881 0.521
126 HA LEU 17 HA LEU 17 -9.722 -7.165 -1.524
127 HB2 LEU 17 HB2 LEU 17 -6.734 -6.717 -1.785
128 HB3 LEU 17 HB1 LEU 17 -7.867 -6.709 -3.128
129 HG LEU 17 HG LEU 17 -7.973 -4.840 -0.743
130 HD11 LEU 17 HD11 LEU 17 -6.113 -4.196 -2.086
131 HD12 LEU 17 HD12 LEU 17 -7.431 -3.146 -2.592
132 HD13 LEU 17 HD13 LEU 17 -6.981 -4.531 -3.584
133 HD21 LEU 17 HD21 LEU 17 -9.754 -5.282 -3.132
134 HD22 LEU 17 HD22 LEU 17 -9.573 -3.646 -2.504
135 HD23 LEU 17 HD23 LEU 17 -10.200 -4.920 -1.465
136 H MET 18 HN MET 18 -7.179 -9.276 -0.272
137 HA MET 18 HA MET 18 -7.747 -11.212 -2.484
138 HB2 MET 18 HB2 MET 18 -5.398 -10.728 -2.207
139 HB3 MET 18 HB1 MET 18 -5.492 -11.061 -0.474
140 HG2 MET 18 HG2 MET 18 -5.756 -13.376 -0.805
141 HG3 MET 18 HG1 MET 18 -6.269 -13.174 -2.481
142 HE1 MET 18 HE1 MET 18 -4.721 -11.821 -4.168
143 HE2 MET 18 HE2 MET 18 -4.773 -13.564 -4.417
144 HE3 MET 18 HE3 MET 18 -3.238 -12.710 -4.547
145 H THR 19 HN THR 19 -8.770 -10.626 0.662
146 HA THR 19 HA THR 19 -8.993 -13.504 1.362
147 HB THR 19 HB THR 19 -9.835 -11.000 2.848
148 HG1 THR 19 HG1 THR 19 -7.598 -12.641 2.778
149 HG21 THR 19 HG21 THR 19 -10.038 -13.935 3.519
150 HG22 THR 19 HG22 THR 19 -11.323 -12.728 3.526
151 HG23 THR 19 HG23 THR 19 -10.061 -12.680 4.758
152 H GLY 20 HN GLY 20 -10.925 -10.936 0.009
153 HA2 GLY 20 HA2 GLY 20 -12.945 -12.530 -1.028
154 HA3 GLY 20 HA1 GLY 20 -13.493 -12.165 0.608
155 H LYS 21 HN LYS 21 -13.471 -9.775 1.190
156 HA LYS 21 HA LYS 21 -15.098 -8.247 -0.482
157 HB2 LYS 21 HB2 LYS 21 -14.764 -7.509 1.767
158 HB3 LYS 21 HB1 LYS 21 -13.021 -7.397 1.547
159 HG2 LYS 21 HG2 LYS 21 -13.179 -5.462 0.231
160 HG3 LYS 21 HG1 LYS 21 -14.882 -5.724 -0.137
161 HD2 LYS 21 HD2 LYS 21 -14.048 -5.295 2.731
162 HD3 LYS 21 HD1 LYS 21 -14.177 -3.904 1.657
163 HE2 LYS 21 HE2 LYS 21 -16.510 -4.584 1.101
164 HE3 LYS 21 HE1 LYS 21 -16.377 -5.908 2.258
165 HZ1 LYS 21 HZ1 LYS 21 -15.793 -4.167 3.944
166 HZ2 LYS 21 HZ2 LYS 21 -17.397 -4.130 3.385
167 HZ3 LYS 21 HZ3 LYS 21 -16.267 -3.000 2.808
168 H ARG 22 HN ARG 22 -14.764 -7.257 -2.418
169 HA ARG 22 HA ARG 22 -12.025 -7.238 -3.537
170 HB2 ARG 22 HB2 ARG 22 -14.617 -6.471 -4.894
171 HB3 ARG 22 HB1 ARG 22 -13.087 -6.893 -5.664
172 HG2 ARG 22 HG2 ARG 22 -13.250 -9.169 -4.644
173 HG3 ARG 22 HG1 ARG 22 -14.841 -8.736 -4.017
174 HD2 ARG 22 HD2 ARG 22 -15.573 -8.249 -6.365
175 HD3 ARG 22 HD1 ARG 22 -14.017 -8.854 -6.933
176 HE ARG 22 HE ARG 22 -14.998 -10.922 -5.372
177 HH11 ARG 22 HH21 ARG 22 -16.144 -9.011 -8.003
178 HH12 ARG 22 HH22 ARG 22 -17.133 -10.270 -8.662
179 HH21 ARG 22 HH11 ARG 22 -16.283 -12.579 -6.217
180 HH22 ARG 22 HH12 ARG 22 -17.212 -12.291 -7.651
181 H VAL 23 HN VAL 23 -14.189 -4.993 -2.060
182 HA VAL 23 HA VAL 23 -12.803 -2.674 -3.374
183 HB VAL 23 HB VAL 23 -15.391 -2.826 -1.814
184 HG11 VAL 23 HG11 VAL 23 -13.888 -0.507 -3.045
185 HG12 VAL 23 HG12 VAL 23 -14.438 -0.675 -1.377
186 HG13 VAL 23 HG13 VAL 23 -15.610 -0.431 -2.672
187 HG21 VAL 23 HG21 VAL 23 -16.305 -2.117 -4.077
188 HG22 VAL 23 HG22 VAL 23 -15.660 -3.758 -4.015
189 HG23 VAL 23 HG23 VAL 23 -14.709 -2.463 -4.742
190 H ALA 24 HN ALA 24 -11.772 -1.115 -2.151
191 HA ALA 24 HA ALA 24 -11.802 -1.256 0.797
192 HB1 ALA 24 HB1 ALA 24 -9.264 -1.658 -0.823
193 HB2 ALA 24 HB2 ALA 24 -10.007 -2.831 0.263
194 HB3 ALA 24 HB3 ALA 24 -9.303 -1.352 0.912
195 H THR 25 HN THR 25 -10.966 0.719 1.738
196 HA THR 25 HA THR 25 -10.517 2.954 -0.231
197 HB THR 25 HB THR 25 -11.729 4.407 1.412
198 HG1 THR 25 HG1 THR 25 -13.032 3.210 2.940
199 HG21 THR 25 HG21 THR 25 -14.025 3.306 0.977
200 HG22 THR 25 HG22 THR 25 -13.117 2.060 0.122
201 HG23 THR 25 HG23 THR 25 -13.048 3.735 -0.424
202 H VAL 26 HN VAL 26 -9.103 4.651 0.545
203 HA VAL 26 HA VAL 26 -7.666 4.146 3.107
204 HB VAL 26 HB VAL 26 -6.089 4.791 0.603
205 HG11 VAL 26 HG11 VAL 26 -4.988 5.186 2.741
206 HG12 VAL 26 HG12 VAL 26 -4.267 3.777 1.967
207 HG13 VAL 26 HG13 VAL 26 -5.410 3.565 3.293
208 HG21 VAL 26 HG21 VAL 26 -6.987 2.096 1.636
209 HG22 VAL 26 HG22 VAL 26 -5.511 2.279 0.689
210 HG23 VAL 26 HG23 VAL 26 -7.065 2.726 -0.010
211 H GLN 27 HN GLN 27 -7.216 6.047 4.160
212 HA GLN 27 HA GLN 27 -8.169 8.540 2.928
213 HB2 GLN 27 HB2 GLN 27 -8.565 7.890 5.358
214 HB3 GLN 27 HB1 GLN 27 -6.850 8.195 5.633
215 HG2 GLN 27 HG2 GLN 27 -7.991 10.229 6.191
216 HG3 GLN 27 HG1 GLN 27 -7.221 10.503 4.628
217 HE21 GLN 27 HE21 GLN 27 -10.358 9.154 5.830
218 HE22 GLN 27 HE22 GLN 27 -11.304 9.938 4.659
219 H LYS 28 HN LYS 28 -6.735 9.321 1.435
220 HA LYS 28 HA LYS 28 -3.946 9.892 2.378
221 HB2 LYS 28 HB2 LYS 28 -4.540 9.135 -0.487
222 HB3 LYS 28 HB1 LYS 28 -2.989 9.151 0.353
223 HG2 LYS 28 HG2 LYS 28 -3.976 7.330 1.875
224 HG3 LYS 28 HG1 LYS 28 -5.257 7.181 0.672
225 HD2 LYS 28 HD2 LYS 28 -2.294 6.928 0.072
226 HD3 LYS 28 HD1 LYS 28 -3.394 5.566 0.287
227 HE2 LYS 28 HE2 LYS 28 -4.817 6.640 -1.569
228 HE3 LYS 28 HE1 LYS 28 -3.410 7.648 -1.901
229 HZ1 LYS 28 HZ1 LYS 28 -2.829 4.835 -1.628
230 HZ2 LYS 28 HZ2 LYS 28 -2.301 5.948 -2.798
231 HZ3 LYS 28 HZ3 LYS 28 -3.825 5.212 -2.950
232 H ASP 29 HN ASP 29 -3.419 11.999 2.105
233 HA ASP 29 HA ASP 29 -3.681 14.261 1.525
234 HB2 ASP 29 HB2 ASP 29 -4.612 13.128 -1.128
235 HB3 ASP 29 HB1 ASP 29 -3.859 14.697 -0.841
236 H GLY 30 HN GLY 30 -5.821 13.558 3.035
237 HA2 GLY 30 HA2 GLY 30 -8.115 13.924 3.420
238 HA3 GLY 30 HA1 GLY 30 -7.818 15.390 2.485
239 H ARG 31 HN ARG 31 -7.224 12.499 0.703
240 HA ARG 31 HA ARG 31 -9.946 12.684 -0.571
241 HB2 ARG 31 HB2 ARG 31 -8.092 13.689 -1.952
242 HB3 ARG 31 HB1 ARG 31 -7.329 12.098 -1.986
243 HG2 ARG 31 HG2 ARG 31 -9.263 11.133 -3.091
244 HG3 ARG 31 HG1 ARG 31 -10.156 12.645 -2.932
245 HD2 ARG 31 HD2 ARG 31 -9.198 12.366 -5.209
246 HD3 ARG 31 HD1 ARG 31 -8.548 13.784 -4.385
247 HE ARG 31 HE ARG 31 -6.739 11.776 -3.774
248 HH11 ARG 31 HH21 ARG 31 -8.163 13.078 -6.631
249 HH12 ARG 31 HH22 ARG 31 -6.787 12.743 -7.629
250 HH21 ARG 31 HH11 ARG 31 -4.934 11.332 -5.061
251 HH22 ARG 31 HH12 ARG 31 -4.959 11.754 -6.740
252 H ARG 32 HN ARG 32 -11.001 10.815 -0.679
253 HA ARG 32 HA ARG 32 -9.700 8.331 0.230
254 HB2 ARG 32 HB2 ARG 32 -11.981 7.460 0.287
255 HB3 ARG 32 HB1 ARG 32 -11.939 9.047 1.057
256 HG2 ARG 32 HG2 ARG 32 -12.532 9.947 -1.338
257 HG3 ARG 32 HG1 ARG 32 -13.052 8.289 -1.638
258 HD2 ARG 32 HD2 ARG 32 -14.922 9.712 -0.853
259 HD3 ARG 32 HD1 ARG 32 -14.584 8.402 0.277
260 HE ARG 32 HE ARG 32 -13.061 10.514 1.230
261 HH11 ARG 32 HH21 ARG 32 -16.358 9.990 0.362
262 HH12 ARG 32 HH22 ARG 32 -16.979 11.129 1.510
263 HH21 ARG 32 HH11 ARG 32 -13.855 12.003 2.733
264 HH22 ARG 32 HH12 ARG 32 -15.562 12.268 2.853
265 H VAL 33 HN VAL 33 -9.181 6.643 -1.159
266 HA VAL 33 HA VAL 33 -10.085 6.850 -4.028
267 HB VAL 33 HB VAL 33 -7.385 5.841 -3.067
268 HG11 VAL 33 HG11 VAL 33 -6.919 5.913 -5.546
269 HG12 VAL 33 HG12 VAL 33 -8.624 6.278 -5.808
270 HG13 VAL 33 HG13 VAL 33 -8.154 4.735 -5.099
271 HG21 VAL 33 HG21 VAL 33 -8.299 8.497 -4.205
272 HG22 VAL 33 HG22 VAL 33 -6.653 7.930 -4.481
273 HG23 VAL 33 HG23 VAL 33 -7.226 8.201 -2.839
274 H GLU 34 HN GLU 34 -10.436 4.889 -5.081
275 HA GLU 34 HA GLU 34 -10.938 2.574 -3.235
276 HB2 GLU 34 HB2 GLU 34 -12.148 2.974 -5.979
277 HB3 GLU 34 HB1 GLU 34 -12.709 1.920 -4.681
278 HG2 GLU 34 HG2 GLU 34 -13.008 4.085 -3.303
279 HG3 GLU 34 HG1 GLU 34 -12.855 4.933 -4.840
280 H PHE 35 HN PHE 35 -10.412 0.465 -3.961
281 HA PHE 35 HA PHE 35 -8.691 0.181 -6.390
282 HB2 PHE 35 HB2 PHE 35 -7.952 -0.457 -3.533
283 HB3 PHE 35 HB1 PHE 35 -7.221 -1.331 -4.877
284 HD1 PHE 35 HD1 PHE 35 -6.422 0.306 -6.877
285 HD2 PHE 35 HD2 PHE 35 -6.778 1.406 -2.744
286 HE1 PHE 35 HE1 PHE 35 -4.777 2.125 -7.225
287 HE2 PHE 35 HE2 PHE 35 -5.123 3.223 -3.087
288 HZ PHE 35 HZ PHE 35 -4.131 3.589 -5.330
289 H THR 36 HN THR 36 -9.135 -1.728 -7.432
290 HA THR 36 HA THR 36 -10.829 -3.753 -5.993
291 HB THR 36 HB THR 36 -11.628 -4.283 -8.399
292 HG1 THR 36 HG1 THR 36 -11.526 -2.307 -9.687
293 HG21 THR 36 HG21 THR 36 -13.374 -2.577 -8.257
294 HG22 THR 36 HG22 THR 36 -12.379 -1.618 -7.162
295 HG23 THR 36 HG23 THR 36 -13.007 -3.182 -6.641
296 H ALA 37 HN ALA 37 -10.427 -5.969 -6.561
297 HA ALA 37 HA ALA 37 -7.791 -6.803 -6.632
298 HB1 ALA 37 HB1 ALA 37 -8.567 -8.967 -7.237
299 HB2 ALA 37 HB2 ALA 37 -9.942 -8.308 -8.123
300 HB3 ALA 37 HB3 ALA 37 -9.904 -8.223 -6.362
301 H THR 38 HN THR 38 -9.515 -5.414 -9.305
302 HA THR 38 HA THR 38 -8.015 -6.623 -11.423
303 HB THR 38 HB THR 38 -9.164 -3.831 -11.500
304 HG1 THR 38 HG1 THR 38 -11.023 -5.284 -12.323
305 HG21 THR 38 HG21 THR 38 -8.855 -6.050 -13.540
306 HG22 THR 38 HG22 THR 38 -7.923 -4.554 -13.475
307 HG23 THR 38 HG23 THR 38 -9.646 -4.504 -13.848
308 H SER 39 HN SER 39 -7.242 -4.076 -9.144
309 HA SER 39 HA SER 39 -4.766 -3.437 -10.737
310 HB2 SER 39 HB2 SER 39 -4.730 -1.311 -9.552
311 HB3 SER 39 HB1 SER 39 -6.283 -1.522 -10.351
312 HG SER 39 HG SER 39 -6.819 -2.538 -8.156
313 H VAL 40 HN VAL 40 -5.432 -5.587 -8.538
314 HA VAL 40 HA VAL 40 -3.999 -5.043 -6.180
315 HB VAL 40 HB VAL 40 -5.309 -7.136 -6.627
316 HG11 VAL 40 HG11 VAL 40 -4.282 -8.965 -7.857
317 HG12 VAL 40 HG12 VAL 40 -2.844 -7.995 -8.170
318 HG13 VAL 40 HG13 VAL 40 -4.386 -7.553 -8.907
319 HG21 VAL 40 HG21 VAL 40 -3.926 -8.585 -5.294
320 HG22 VAL 40 HG22 VAL 40 -3.580 -6.938 -4.771
321 HG23 VAL 40 HG23 VAL 40 -2.452 -7.777 -5.836
322 H SER 41 HN SER 41 -2.804 -5.054 -9.354
323 HA SER 41 HA SER 41 -0.074 -5.888 -8.644
324 HB2 SER 41 HB2 SER 41 -0.947 -6.406 -10.873
325 HB3 SER 41 HB1 SER 41 -1.210 -4.693 -11.187
326 HG SER 41 HG SER 41 0.803 -5.607 -12.010
327 H ASP 42 HN ASP 42 -1.572 -2.816 -9.798
328 HA ASP 42 HA ASP 42 0.846 -1.322 -9.415
329 HB2 ASP 42 HB2 ASP 42 -1.581 0.320 -9.086
330 HB3 ASP 42 HB1 ASP 42 -0.334 0.405 -10.324
331 H LEU 43 HN LEU 43 -1.623 -2.382 -7.158
332 HA LEU 43 HA LEU 43 -0.900 -0.432 -5.117
333 HB2 LEU 43 HB2 LEU 43 -3.094 -1.640 -5.108
334 HB3 LEU 43 HB1 LEU 43 -2.220 -3.137 -4.794
335 HG LEU 43 HG LEU 43 -1.206 -1.759 -2.749
336 HD11 LEU 43 HD11 LEU 43 -3.918 -0.478 -2.851
337 HD12 LEU 43 HD12 LEU 43 -2.558 0.299 -3.649
338 HD13 LEU 43 HD13 LEU 43 -2.503 -0.013 -1.915
339 HD21 LEU 43 HD21 LEU 43 -4.047 -2.819 -2.724
340 HD22 LEU 43 HD22 LEU 43 -2.994 -2.637 -1.322
341 HD23 LEU 43 HD23 LEU 43 -2.595 -3.805 -2.580
342 H LYS 44 HN LYS 44 -0.058 -3.808 -5.841
343 HA LYS 44 HA LYS 44 1.618 -4.365 -3.659
344 HB2 LYS 44 HB2 LYS 44 0.949 -5.880 -5.625
345 HB3 LYS 44 HB1 LYS 44 2.273 -5.136 -6.513
346 HG2 LYS 44 HG2 LYS 44 3.906 -5.998 -5.028
347 HG3 LYS 44 HG1 LYS 44 2.709 -6.390 -3.796
348 HD2 LYS 44 HD2 LYS 44 2.469 -7.695 -6.502
349 HD3 LYS 44 HD1 LYS 44 3.688 -8.292 -5.380
350 HE2 LYS 44 HE2 LYS 44 0.719 -8.054 -4.812
351 HE3 LYS 44 HE1 LYS 44 1.599 -9.550 -5.116
352 HZ1 LYS 44 HZ1 LYS 44 3.059 -8.535 -3.155
353 HZ2 LYS 44 HZ2 LYS 44 1.730 -9.556 -2.882
354 HZ3 LYS 44 HZ3 LYS 44 1.553 -7.873 -2.740
355 H LYS 45 HN LYS 45 2.182 -2.352 -6.476
356 HA LYS 45 HA LYS 45 5.029 -2.019 -6.035
357 HB2 LYS 45 HB2 LYS 45 3.856 -1.734 -8.242
358 HB3 LYS 45 HB1 LYS 45 3.113 -0.268 -7.600
359 HG2 LYS 45 HG2 LYS 45 5.328 0.702 -7.213
360 HG3 LYS 45 HG1 LYS 45 6.088 -0.770 -7.819
361 HD2 LYS 45 HD2 LYS 45 5.148 -0.433 -10.020
362 HD3 LYS 45 HD1 LYS 45 4.166 0.913 -9.446
363 HE2 LYS 45 HE2 LYS 45 7.190 0.824 -9.604
364 HE3 LYS 45 HE1 LYS 45 6.111 1.802 -10.599
365 HZ1 LYS 45 HZ1 LYS 45 5.426 2.368 -7.998
366 HZ2 LYS 45 HZ2 LYS 45 6.301 3.366 -9.059
367 HZ3 LYS 45 HZ3 LYS 45 7.121 2.327 -7.995
368 H TYR 46 HN TYR 46 2.106 -0.169 -5.242
369 HA TYR 46 HA TYR 46 3.362 2.169 -4.218
370 HB2 TYR 46 HB2 TYR 46 0.968 2.040 -4.704
371 HB3 TYR 46 HB1 TYR 46 0.763 0.823 -3.454
372 HD1 TYR 46 HD1 TYR 46 2.406 4.211 -3.673
373 HD2 TYR 46 HD2 TYR 46 -0.294 1.633 -1.538
374 HE1 TYR 46 HE1 TYR 46 1.994 6.007 -2.019
375 HE2 TYR 46 HE2 TYR 46 -0.711 3.438 0.113
376 HH TYR 46 HH TYR 46 -0.335 5.563 0.640
377 H ILE 47 HN ILE 47 2.844 -1.005 -2.802
378 HA ILE 47 HA ILE 47 3.496 -0.146 -0.090
379 HB ILE 47 HB ILE 47 3.270 -2.886 -1.361
380 HG12 ILE 47 HG12 ILE 47 1.517 -1.545 0.715
381 HG13 ILE 47 HG11 ILE 47 1.192 -1.441 -1.015
382 HG21 ILE 47 HG21 ILE 47 4.787 -3.204 0.442
383 HG22 ILE 47 HG22 ILE 47 3.209 -3.608 1.120
384 HG23 ILE 47 HG23 ILE 47 3.942 -2.040 1.463
385 HD11 ILE 47 HD11 ILE 47 1.007 -3.863 -1.173
386 HD12 ILE 47 HD12 ILE 47 -0.065 -3.292 0.105
387 HD13 ILE 47 HD13 ILE 47 1.477 -4.041 0.517
388 H ALA 48 HN ALA 48 5.228 -1.697 -2.767
389 HA ALA 48 HA ALA 48 7.670 -2.100 -1.278
390 HB1 ALA 48 HB1 ALA 48 7.165 -3.378 -3.320
391 HB2 ALA 48 HB2 ALA 48 8.683 -2.498 -3.496
392 HB3 ALA 48 HB3 ALA 48 7.218 -1.892 -4.269
393 H GLU 49 HN GLU 49 6.498 0.469 -3.439
394 HA GLU 49 HA GLU 49 8.924 1.957 -3.541
395 HB2 GLU 49 HB2 GLU 49 6.841 2.287 -4.975
396 HB3 GLU 49 HB1 GLU 49 6.162 3.175 -3.613
397 HG2 GLU 49 HG2 GLU 49 8.079 4.721 -3.650
398 HG3 GLU 49 HG1 GLU 49 8.766 3.835 -5.013
399 H LEU 50 HN LEU 50 6.328 1.888 -1.108
400 HA LEU 50 HA LEU 50 7.355 4.237 0.276
401 HB2 LEU 50 HB2 LEU 50 5.540 2.008 1.281
402 HB3 LEU 50 HB1 LEU 50 6.019 3.385 2.261
403 HG LEU 50 HG LEU 50 4.465 3.512 -0.347
404 HD11 LEU 50 HD11 LEU 50 2.563 4.005 0.962
405 HD12 LEU 50 HD12 LEU 50 3.527 4.413 2.380
406 HD13 LEU 50 HD13 LEU 50 3.352 2.731 1.891
407 HD21 LEU 50 HD21 LEU 50 5.759 5.625 1.368
408 HD22 LEU 50 HD22 LEU 50 4.205 5.997 0.623
409 HD23 LEU 50 HD23 LEU 50 5.580 5.566 -0.385
410 H GLU 51 HN GLU 51 8.065 0.787 0.390
411 HA GLU 51 HA GLU 51 9.554 0.838 2.836
412 HB2 GLU 51 HB2 GLU 51 9.717 -0.959 0.404
413 HB3 GLU 51 HB1 GLU 51 10.754 -1.183 1.810
414 HG2 GLU 51 HG2 GLU 51 8.900 -1.597 3.236
415 HG3 GLU 51 HG1 GLU 51 7.749 -1.008 2.036
416 H VAL 52 HN VAL 52 10.363 1.814 -0.457
417 HA VAL 52 HA VAL 52 13.225 2.055 0.165
418 HB VAL 52 HB VAL 52 11.584 2.894 -2.245
419 HG11 VAL 52 HG11 VAL 52 14.542 3.124 -1.654
420 HG12 VAL 52 HG12 VAL 52 13.440 4.394 -2.186
421 HG13 VAL 52 HG13 VAL 52 13.910 3.111 -3.300
422 HG21 VAL 52 HG21 VAL 52 11.760 0.517 -2.179
423 HG22 VAL 52 HG22 VAL 52 13.434 0.578 -1.629
424 HG23 VAL 52 HG23 VAL 52 13.031 1.037 -3.282
425 H GLN 53 HN GLN 53 10.410 4.100 0.403
426 HA GLN 53 HA GLN 53 12.075 6.559 0.469
427 HB2 GLN 53 HB2 GLN 53 9.086 6.083 0.659
428 HB3 GLN 53 HB1 GLN 53 9.826 7.669 0.876
429 HG2 GLN 53 HG2 GLN 53 10.287 5.953 -1.575
430 HG3 GLN 53 HG1 GLN 53 9.025 7.181 -1.481
431 HE21 GLN 53 HE21 GLN 53 9.731 9.460 -1.217
432 HE22 GLN 53 HE22 GLN 53 11.302 9.922 -1.666
433 H THR 54 HN THR 54 11.050 4.150 2.588
434 HA THR 54 HA THR 54 11.491 5.947 4.950
435 HB THR 54 HB THR 54 9.196 4.340 4.249
436 HG1 THR 54 HG1 THR 54 9.273 6.424 5.221
437 HG21 THR 54 HG21 THR 54 10.245 2.486 5.477
438 HG22 THR 54 HG22 THR 54 8.894 3.139 6.403
439 HG23 THR 54 HG23 THR 54 10.548 3.548 6.854
440 H GLY 55 HN GLY 55 11.795 2.667 3.607
441 HA2 GLY 55 HA2 GLY 55 13.613 1.866 5.787
442 HA3 GLY 55 HA1 GLY 55 13.085 0.849 4.442
443 H MET 56 HN MET 56 15.640 0.484 4.665
444 HA MET 56 HA MET 56 16.830 1.947 2.419
445 HB2 MET 56 HB2 MET 56 17.260 3.339 4.526
446 HB3 MET 56 HB1 MET 56 18.277 2.006 5.074
447 HG2 MET 56 HG2 MET 56 19.749 3.531 3.970
448 HG3 MET 56 HG1 MET 56 19.501 2.199 2.841
449 HE1 MET 56 HE1 MET 56 20.712 4.612 1.745
450 HE2 MET 56 HE2 MET 56 20.032 5.725 2.930
451 HE3 MET 56 HE3 MET 56 19.710 5.970 1.215
452 H THR 57 HN THR 57 16.335 -0.580 2.134
453 HA THR 57 HA THR 57 18.423 -2.314 3.263
454 HB THR 57 HB THR 57 16.099 -3.147 2.777
455 HG1 THR 57 HG1 THR 57 18.445 -4.253 1.800
456 HG21 THR 57 HG21 THR 57 16.754 -3.428 -0.122
457 HG22 THR 57 HG22 THR 57 16.274 -1.813 0.407
458 HG23 THR 57 HG23 THR 57 15.191 -3.181 0.656
459 H GLN 58 HN GLN 58 18.409 -3.725 0.537
460 HA GLN 58 HA GLN 58 19.608 -3.703 -1.459
461 HB2 GLN 58 HB2 GLN 58 18.889 -1.140 -1.376
462 HB3 GLN 58 HB1 GLN 58 20.594 -0.891 -1.012
463 HG2 GLN 58 HG2 GLN 58 20.380 -0.745 -3.394
464 HG3 GLN 58 HG1 GLN 58 21.125 -2.308 -3.053
465 HE21 GLN 58 HE21 GLN 58 20.275 -3.511 -4.826
466 HE22 GLN 58 HE22 GLN 58 18.614 -3.767 -5.066
467 H ARG 59 HN ARG 59 21.267 -5.094 -0.969
468 HA ARG 59 HA ARG 59 23.854 -3.953 -0.236
469 HB2 ARG 59 HB2 ARG 59 24.135 -5.455 1.759
470 HB3 ARG 59 HB1 ARG 59 22.932 -4.187 1.999
471 HG2 ARG 59 HG2 ARG 59 21.144 -5.802 1.382
472 HG3 ARG 59 HG1 ARG 59 22.364 -7.067 1.237
473 HD2 ARG 59 HD2 ARG 59 22.991 -6.717 3.609
474 HD3 ARG 59 HD1 ARG 59 21.734 -5.488 3.749
475 HE ARG 59 HE ARG 59 20.375 -7.719 2.829
476 HH11 ARG 59 HH21 ARG 59 22.521 -6.993 5.427
477 HH12 ARG 59 HH22 ARG 59 21.824 -8.157 6.504
478 HH21 ARG 59 HH11 ARG 59 19.452 -9.243 4.219
479 HH22 ARG 59 HH12 ARG 59 20.086 -9.431 5.820
480 H ARG 60 HN ARG 60 25.580 -5.587 -0.436
481 HA ARG 60 HA ARG 60 25.051 -7.448 -2.582
482 HB2 ARG 60 HB2 ARG 60 27.411 -8.141 -2.239
483 HB3 ARG 60 HB1 ARG 60 27.253 -6.386 -2.319
484 HG2 ARG 60 HG2 ARG 60 27.130 -6.386 0.215
485 HG3 ARG 60 HG1 ARG 60 27.579 -8.092 0.161
486 HD2 ARG 60 HD2 ARG 60 29.605 -6.811 0.472
487 HD3 ARG 60 HD1 ARG 60 29.611 -7.432 -1.179
488 HE ARG 60 HE ARG 60 28.437 -4.935 -1.420
489 HH11 ARG 60 HH21 ARG 60 31.329 -6.216 -0.049
490 HH12 ARG 60 HH22 ARG 60 32.259 -4.785 -0.340
491 HH21 ARG 60 HH11 ARG 60 29.636 -3.057 -1.807
492 HH22 ARG 60 HH12 ARG 60 31.300 -2.996 -1.335
493 H ARG 61 HN ARG 61 25.938 -9.840 -2.229
494 HA ARG 61 HA ARG 61 24.320 -10.973 -0.021
495 HB2 ARG 61 HB2 ARG 61 25.755 -12.223 -2.381
496 HB3 ARG 61 HB1 ARG 61 24.882 -13.155 -1.162
497 HG2 ARG 61 HG2 ARG 61 22.823 -11.875 -1.676
498 HG3 ARG 61 HG1 ARG 61 23.697 -10.992 -2.928
499 HD2 ARG 61 HD2 ARG 61 24.068 -13.014 -4.194
500 HD3 ARG 61 HD1 ARG 61 23.426 -14.009 -2.886
501 HE ARG 61 HE ARG 61 21.333 -12.305 -3.505
502 HH11 ARG 61 HH21 ARG 61 23.402 -14.455 -5.232
503 HH12 ARG 61 HH22 ARG 61 22.211 -14.853 -6.427
504 HH21 ARG 61 HH11 ARG 61 19.767 -12.811 -5.055
505 HH22 ARG 61 HH12 ARG 61 20.154 -13.922 -6.327
506 H GLY 62 HN GLY 62 27.629 -11.475 -1.316
507 HA2 GLY 62 HA2 GLY 62 28.921 -11.239 1.211
508 HA3 GLY 62 HA1 GLY 62 28.588 -12.947 0.919
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 9.875 12.319 6.217
2 H2 MET 1 HT2 MET 1 8.841 11.031 5.820
3 H3 MET 1 HT3 MET 1 10.525 10.809 5.803
4 HA MET 1 HA MET 1 10.617 11.175 8.196
5 HB2 MET 1 HB2 MET 1 7.596 11.276 7.918
6 HB3 MET 1 HB1 MET 1 8.485 11.270 9.441
7 HG2 MET 1 HG2 MET 1 9.524 13.391 8.919
8 HG3 MET 1 HG1 MET 1 8.853 13.369 7.288
9 HE1 MET 1 HE1 MET 1 7.735 12.879 11.023
10 HE2 MET 1 HE2 MET 1 6.835 14.377 11.245
11 HE3 MET 1 HE3 MET 1 8.543 14.439 10.817
12 H VAL 2 HN VAL 2 7.809 9.529 8.773
13 HA VAL 2 HA VAL 2 8.783 6.907 7.752
14 HB VAL 2 HB VAL 2 8.666 5.882 9.962
15 HG11 VAL 2 HG11 VAL 2 10.789 7.009 9.242
16 HG12 VAL 2 HG12 VAL 2 10.598 6.938 10.993
17 HG13 VAL 2 HG13 VAL 2 10.281 8.445 10.133
18 HG21 VAL 2 HG21 VAL 2 8.477 7.643 11.943
19 HG22 VAL 2 HG22 VAL 2 7.017 6.989 11.210
20 HG23 VAL 2 HG23 VAL 2 7.594 8.591 10.747
21 H ARG 3 HN ARG 3 6.989 6.173 6.648
22 HA ARG 3 HA ARG 3 4.307 7.009 7.522
23 HB2 ARG 3 HB2 ARG 3 5.425 5.467 5.186
24 HB3 ARG 3 HB1 ARG 3 3.699 5.377 5.531
25 HG2 ARG 3 HG2 ARG 3 4.347 7.191 3.893
26 HG3 ARG 3 HG1 ARG 3 3.446 7.759 5.297
27 HD2 ARG 3 HD2 ARG 3 5.371 8.684 6.308
28 HD3 ARG 3 HD1 ARG 3 6.463 7.745 5.290
29 HE ARG 3 HE ARG 3 5.075 9.326 3.488
30 HH11 ARG 3 HH21 ARG 3 6.895 9.820 6.374
31 HH12 ARG 3 HH22 ARG 3 7.453 11.393 5.911
32 HH21 ARG 3 HH11 ARG 3 5.793 11.378 2.867
33 HH22 ARG 3 HH12 ARG 3 6.829 12.275 3.926
34 H GLN 4 HN GLN 4 5.751 5.412 9.400
35 HA GLN 4 HA GLN 4 5.246 2.664 9.433
36 HB2 GLN 4 HB2 GLN 4 5.272 4.711 11.651
37 HB3 GLN 4 HB1 GLN 4 5.017 2.998 11.986
38 HG2 GLN 4 HG2 GLN 4 7.147 2.401 11.105
39 HG3 GLN 4 HG1 GLN 4 7.362 3.980 10.351
40 HE21 GLN 4 HE21 GLN 4 9.216 2.784 12.291
41 HE22 GLN 4 HE22 GLN 4 9.236 3.805 13.646
42 H GLU 5 HN GLU 5 3.032 5.237 10.583
43 HA GLU 5 HA GLU 5 0.898 3.418 11.313
44 HB2 GLU 5 HB2 GLU 5 1.198 6.371 10.909
45 HB3 GLU 5 HB1 GLU 5 -0.445 5.742 10.833
46 HG2 GLU 5 HG2 GLU 5 1.423 5.058 13.117
47 HG3 GLU 5 HG1 GLU 5 0.381 6.480 13.145
48 H GLU 6 HN GLU 6 1.373 5.348 8.311
49 HA GLU 6 HA GLU 6 -1.049 4.342 7.097
50 HB2 GLU 6 HB2 GLU 6 1.406 5.665 5.924
51 HB3 GLU 6 HB1 GLU 6 0.017 5.196 4.953
52 HG2 GLU 6 HG2 GLU 6 -0.173 7.020 7.368
53 HG3 GLU 6 HG1 GLU 6 -0.022 7.598 5.712
54 H LEU 7 HN LEU 7 2.355 3.364 6.954
55 HA LEU 7 HA LEU 7 2.266 1.464 4.895
56 HB2 LEU 7 HB2 LEU 7 4.367 1.936 5.966
57 HB3 LEU 7 HB1 LEU 7 3.741 1.467 7.541
58 HG LEU 7 HG LEU 7 3.629 -0.865 6.876
59 HD11 LEU 7 HD11 LEU 7 4.563 -1.462 4.566
60 HD12 LEU 7 HD12 LEU 7 4.350 0.239 4.156
61 HD13 LEU 7 HD13 LEU 7 2.954 -0.744 4.590
62 HD21 LEU 7 HD21 LEU 7 6.254 0.301 5.910
63 HD22 LEU 7 HD22 LEU 7 5.990 -1.314 6.568
64 HD23 LEU 7 HD23 LEU 7 5.828 0.099 7.609
65 H ALA 8 HN ALA 8 1.629 0.899 8.373
66 HA ALA 8 HA ALA 8 0.839 -1.792 8.215
67 HB1 ALA 8 HB1 ALA 8 -0.603 -1.207 10.255
68 HB2 ALA 8 HB2 ALA 8 -0.033 0.449 10.044
69 HB3 ALA 8 HB3 ALA 8 1.118 -0.845 10.379
70 H ALA 9 HN ALA 9 -1.142 1.136 7.760
71 HA ALA 9 HA ALA 9 -3.636 -0.223 7.440
72 HB1 ALA 9 HB1 ALA 9 -2.821 2.367 6.100
73 HB2 ALA 9 HB2 ALA 9 -3.319 2.260 7.788
74 HB3 ALA 9 HB3 ALA 9 -4.455 1.843 6.505
75 H ALA 10 HN ALA 10 -1.037 0.506 5.151
76 HA ALA 10 HA ALA 10 -2.516 -0.188 2.780
77 HB1 ALA 10 HB1 ALA 10 -0.366 -0.239 1.670
78 HB2 ALA 10 HB2 ALA 10 0.476 -0.411 3.211
79 HB3 ALA 10 HB3 ALA 10 -0.352 1.097 2.821
80 H ARG 11 HN ARG 11 -0.375 -2.072 4.926
81 HA ARG 11 HA ARG 11 -0.384 -4.480 3.424
82 HB2 ARG 11 HB2 ARG 11 -0.179 -3.967 6.399
83 HB3 ARG 11 HB1 ARG 11 -0.027 -5.579 5.703
84 HG2 ARG 11 HG2 ARG 11 1.852 -4.850 4.325
85 HG3 ARG 11 HG1 ARG 11 1.673 -3.198 4.915
86 HD2 ARG 11 HD2 ARG 11 3.471 -4.324 6.141
87 HD3 ARG 11 HD1 ARG 11 2.120 -3.997 7.226
88 HE ARG 11 HE ARG 11 1.613 -6.557 6.295
89 HH11 ARG 11 HH21 ARG 11 4.261 -4.907 7.764
90 HH12 ARG 11 HH22 ARG 11 4.865 -6.316 8.568
91 HH21 ARG 11 HH11 ARG 11 2.387 -8.406 7.338
92 HH22 ARG 11 HH12 ARG 11 3.804 -8.297 8.328
93 H ALA 12 HN ALA 12 -2.686 -3.188 5.785
94 HA ALA 12 HA ALA 12 -4.339 -5.493 6.031
95 HB1 ALA 12 HB1 ALA 12 -4.611 -3.599 7.534
96 HB2 ALA 12 HB2 ALA 12 -6.127 -3.853 6.668
97 HB3 ALA 12 HB3 ALA 12 -5.043 -2.546 6.187
98 H ALA 13 HN ALA 13 -4.293 -2.883 3.624
99 HA ALA 13 HA ALA 13 -6.715 -3.562 2.299
100 HB1 ALA 13 HB1 ALA 13 -5.072 -1.537 1.953
101 HB2 ALA 13 HB2 ALA 13 -6.022 -2.127 0.589
102 HB3 ALA 13 HB3 ALA 13 -4.323 -2.588 0.749
103 H LEU 14 HN LEU 14 -3.423 -4.862 1.955
104 HA LEU 14 HA LEU 14 -3.980 -6.517 -0.326
105 HB2 LEU 14 HB2 LEU 14 -1.682 -6.145 0.214
106 HB3 LEU 14 HB1 LEU 14 -1.903 -6.674 1.875
107 HG LEU 14 HG LEU 14 -2.308 -8.992 1.089
108 HD11 LEU 14 HD11 LEU 14 -3.293 -8.602 -1.080
109 HD12 LEU 14 HD12 LEU 14 -1.780 -9.467 -1.339
110 HD13 LEU 14 HD13 LEU 14 -1.864 -7.732 -1.631
111 HD21 LEU 14 HD21 LEU 14 0.197 -7.742 -0.075
112 HD22 LEU 14 HD22 LEU 14 -0.023 -9.449 0.307
113 HD23 LEU 14 HD23 LEU 14 -0.007 -8.251 1.601
114 H HIS 15 HN HIS 15 -4.444 -6.953 3.144
115 HA HIS 15 HA HIS 15 -5.139 -9.764 2.935
116 HB2 HIS 15 HB2 HIS 15 -4.236 -8.713 5.014
117 HB3 HIS 15 HB1 HIS 15 -5.749 -7.821 5.167
118 HD1 HIS 15 HD1 HIS 15 -4.259 -11.216 5.586
119 HD2 HIS 15 HD2 HIS 15 -8.031 -9.454 5.811
120 HE1 HIS 15 HE1 HIS 15 -5.777 -12.914 6.693
121 H ASP 16 HN ASP 16 -6.998 -6.752 3.147
122 HA ASP 16 HA ASP 16 -9.495 -8.204 3.260
123 HB2 ASP 16 HB2 ASP 16 -9.132 -5.885 4.179
124 HB3 ASP 16 HB1 ASP 16 -9.101 -5.299 2.516
125 H LEU 17 HN LEU 17 -7.583 -6.835 0.614
126 HA LEU 17 HA LEU 17 -9.772 -7.087 -1.298
127 HB2 LEU 17 HB2 LEU 17 -6.802 -6.636 -1.694
128 HB3 LEU 17 HB1 LEU 17 -7.941 -6.764 -3.027
129 HG LEU 17 HG LEU 17 -8.141 -4.739 -0.781
130 HD11 LEU 17 HD11 LEU 17 -7.043 -4.592 -3.594
131 HD12 LEU 17 HD12 LEU 17 -6.240 -4.149 -2.090
132 HD13 LEU 17 HD13 LEU 17 -7.554 -3.158 -2.709
133 HD21 LEU 17 HD21 LEU 17 -9.685 -3.708 -2.710
134 HD22 LEU 17 HD22 LEU 17 -10.335 -4.883 -1.576
135 HD23 LEU 17 HD23 LEU 17 -9.830 -5.398 -3.186
136 H MET 18 HN MET 18 -7.206 -9.230 -0.197
137 HA MET 18 HA MET 18 -7.924 -11.173 -2.354
138 HB2 MET 18 HB2 MET 18 -5.561 -10.788 -2.206
139 HB3 MET 18 HB1 MET 18 -5.580 -11.001 -0.455
140 HG2 MET 18 HG2 MET 18 -5.847 -13.321 -0.606
141 HG3 MET 18 HG1 MET 18 -6.520 -13.240 -2.235
142 HE1 MET 18 HE1 MET 18 -5.211 -13.785 -4.280
143 HE2 MET 18 HE2 MET 18 -3.700 -12.942 -4.612
144 HE3 MET 18 HE3 MET 18 -5.132 -12.023 -4.155
145 H THR 19 HN THR 19 -8.954 -10.477 0.705
146 HA THR 19 HA THR 19 -9.266 -13.349 1.488
147 HB THR 19 HB THR 19 -9.712 -10.790 3.048
148 HG1 THR 19 HG1 THR 19 -7.953 -11.754 4.257
149 HG21 THR 19 HG21 THR 19 -11.305 -12.357 3.858
150 HG22 THR 19 HG22 THR 19 -9.935 -12.464 4.966
151 HG23 THR 19 HG23 THR 19 -10.163 -13.696 3.724
152 H GLY 20 HN GLY 20 -11.082 -10.569 0.350
153 HA2 GLY 20 HA2 GLY 20 -13.331 -12.064 -0.424
154 HA3 GLY 20 HA1 GLY 20 -13.673 -11.495 1.209
155 H LYS 21 HN LYS 21 -13.568 -9.119 1.562
156 HA LYS 21 HA LYS 21 -15.144 -7.628 -0.174
157 HB2 LYS 21 HB2 LYS 21 -12.874 -6.335 1.342
158 HB3 LYS 21 HB1 LYS 21 -14.482 -5.689 1.015
159 HG2 LYS 21 HG2 LYS 21 -15.387 -7.644 2.401
160 HG3 LYS 21 HG1 LYS 21 -13.722 -7.905 2.925
161 HD2 LYS 21 HD2 LYS 21 -13.606 -5.634 3.814
162 HD3 LYS 21 HD1 LYS 21 -15.227 -5.288 3.211
163 HE2 LYS 21 HE2 LYS 21 -16.145 -7.059 4.668
164 HE3 LYS 21 HE1 LYS 21 -14.525 -7.393 5.278
165 HZ1 LYS 21 HZ1 LYS 21 -14.408 -5.319 6.307
166 HZ2 LYS 21 HZ2 LYS 21 -15.989 -5.848 6.635
167 HZ3 LYS 21 HZ3 LYS 21 -15.711 -4.690 5.423
168 H ARG 22 HN ARG 22 -14.758 -7.469 -2.335
169 HA ARG 22 HA ARG 22 -12.102 -7.393 -3.467
170 HB2 ARG 22 HB2 ARG 22 -14.748 -6.647 -4.745
171 HB3 ARG 22 HB1 ARG 22 -13.252 -7.008 -5.602
172 HG2 ARG 22 HG2 ARG 22 -14.372 -9.050 -3.685
173 HG3 ARG 22 HG1 ARG 22 -15.088 -8.891 -5.286
174 HD2 ARG 22 HD2 ARG 22 -12.101 -9.157 -4.978
175 HD3 ARG 22 HD1 ARG 22 -13.135 -10.583 -4.968
176 HE ARG 22 HE ARG 22 -13.942 -9.182 -7.224
177 HH11 ARG 22 HH21 ARG 22 -10.978 -10.373 -5.927
178 HH12 ARG 22 HH22 ARG 22 -10.249 -10.632 -7.477
179 HH21 ARG 22 HH11 ARG 22 -13.007 -9.514 -9.256
180 HH22 ARG 22 HH12 ARG 22 -11.398 -10.145 -9.362
181 H VAL 23 HN VAL 23 -14.117 -4.991 -2.080
182 HA VAL 23 HA VAL 23 -12.641 -2.790 -3.489
183 HB VAL 23 HB VAL 23 -15.193 -2.666 -1.858
184 HG11 VAL 23 HG11 VAL 23 -15.391 -0.421 -2.904
185 HG12 VAL 23 HG12 VAL 23 -13.807 -0.644 -3.644
186 HG13 VAL 23 HG13 VAL 23 -13.955 -0.548 -1.889
187 HG21 VAL 23 HG21 VAL 23 -14.660 -2.862 -4.829
188 HG22 VAL 23 HG22 VAL 23 -16.181 -2.245 -4.184
189 HG23 VAL 23 HG23 VAL 23 -15.686 -3.902 -3.840
190 H ALA 24 HN ALA 24 -11.657 -1.148 -2.259
191 HA ALA 24 HA ALA 24 -11.662 -1.309 0.687
192 HB1 ALA 24 HB1 ALA 24 -9.170 -1.764 -0.981
193 HB2 ALA 24 HB2 ALA 24 -9.857 -2.848 0.227
194 HB3 ALA 24 HB3 ALA 24 -9.123 -1.324 0.725
195 H THR 25 HN THR 25 -10.843 0.668 1.633
196 HA THR 25 HA THR 25 -10.424 2.918 -0.326
197 HB THR 25 HB THR 25 -11.571 4.328 1.477
198 HG1 THR 25 HG1 THR 25 -11.392 2.195 2.839
199 HG21 THR 25 HG21 THR 25 -12.998 2.215 -0.136
200 HG22 THR 25 HG22 THR 25 -12.812 3.931 -0.494
201 HG23 THR 25 HG23 THR 25 -13.885 3.415 0.805
202 H VAL 26 HN VAL 26 -9.037 4.639 0.462
203 HA VAL 26 HA VAL 26 -7.539 4.110 2.983
204 HB VAL 26 HB VAL 26 -6.020 4.854 0.471
205 HG11 VAL 26 HG11 VAL 26 -4.900 5.201 2.614
206 HG12 VAL 26 HG12 VAL 26 -4.154 3.844 1.772
207 HG13 VAL 26 HG13 VAL 26 -5.270 3.548 3.104
208 HG21 VAL 26 HG21 VAL 26 -6.953 2.793 -0.203
209 HG22 VAL 26 HG22 VAL 26 -6.863 2.113 1.423
210 HG23 VAL 26 HG23 VAL 26 -5.392 2.346 0.481
211 H GLN 27 HN GLN 27 -7.127 5.997 4.070
212 HA GLN 27 HA GLN 27 -8.142 8.494 2.879
213 HB2 GLN 27 HB2 GLN 27 -8.600 7.785 5.276
214 HB3 GLN 27 HB1 GLN 27 -6.896 8.086 5.615
215 HG2 GLN 27 HG2 GLN 27 -8.675 10.192 4.369
216 HG3 GLN 27 HG1 GLN 27 -8.520 10.011 6.115
217 HE21 GLN 27 HE21 GLN 27 -6.991 11.293 3.278
218 HE22 GLN 27 HE22 GLN 27 -5.563 11.819 4.030
219 H LYS 28 HN LYS 28 -6.726 9.469 1.516
220 HA LYS 28 HA LYS 28 -3.950 9.999 2.517
221 HB2 LYS 28 HB2 LYS 28 -4.593 9.335 -0.378
222 HB3 LYS 28 HB1 LYS 28 -3.003 9.591 0.337
223 HG2 LYS 28 HG2 LYS 28 -3.179 7.586 1.656
224 HG3 LYS 28 HG1 LYS 28 -4.876 7.382 1.223
225 HD2 LYS 28 HD2 LYS 28 -3.366 5.880 -0.079
226 HD3 LYS 28 HD1 LYS 28 -4.282 6.982 -1.105
227 HE2 LYS 28 HE2 LYS 28 -2.407 8.335 -1.541
228 HE3 LYS 28 HE1 LYS 28 -1.526 7.734 -0.135
229 HZ1 LYS 28 HZ1 LYS 28 -0.523 6.555 -1.783
230 HZ2 LYS 28 HZ2 LYS 28 -1.910 6.500 -2.762
231 HZ3 LYS 28 HZ3 LYS 28 -1.781 5.479 -1.411
232 H ASP 29 HN ASP 29 -3.682 12.150 2.636
233 HA ASP 29 HA ASP 29 -4.019 14.443 2.252
234 HB2 ASP 29 HB2 ASP 29 -2.914 13.698 0.100
235 HB3 ASP 29 HB1 ASP 29 -4.527 13.565 -0.602
236 H GLY 30 HN GLY 30 -6.226 13.593 3.428
237 HA2 GLY 30 HA2 GLY 30 -8.571 13.769 3.574
238 HA3 GLY 30 HA1 GLY 30 -8.299 15.283 2.710
239 H ARG 31 HN ARG 31 -7.285 12.484 0.959
240 HA ARG 31 HA ARG 31 -9.817 12.570 -0.665
241 HB2 ARG 31 HB2 ARG 31 -7.762 13.564 -1.757
242 HB3 ARG 31 HB1 ARG 31 -7.028 11.962 -1.681
243 HG2 ARG 31 HG2 ARG 31 -8.945 11.047 -2.974
244 HG3 ARG 31 HG1 ARG 31 -9.611 12.676 -3.102
245 HD2 ARG 31 HD2 ARG 31 -8.380 12.208 -5.136
246 HD3 ARG 31 HD1 ARG 31 -7.464 13.392 -4.202
247 HE ARG 31 HE ARG 31 -6.422 10.959 -3.384
248 HH11 ARG 31 HH21 ARG 31 -6.997 12.555 -6.386
249 HH12 ARG 31 HH22 ARG 31 -5.655 11.812 -7.191
250 HH21 ARG 31 HH11 ARG 31 -4.665 9.981 -4.418
251 HH22 ARG 31 HH12 ARG 31 -4.335 10.355 -6.076
252 H ARG 32 HN ARG 32 -10.817 10.662 -0.950
253 HA ARG 32 HA ARG 32 -9.498 8.185 0.076
254 HB2 ARG 32 HB2 ARG 32 -12.371 8.980 -0.431
255 HB3 ARG 32 HB1 ARG 32 -11.907 7.306 -0.125
256 HG2 ARG 32 HG2 ARG 32 -11.055 7.825 2.037
257 HG3 ARG 32 HG1 ARG 32 -11.109 9.558 1.732
258 HD2 ARG 32 HD2 ARG 32 -13.697 9.124 1.409
259 HD3 ARG 32 HD1 ARG 32 -13.374 7.670 2.347
260 HE ARG 32 HE ARG 32 -13.660 10.301 3.395
261 HH11 ARG 32 HH21 ARG 32 -11.541 7.583 3.644
262 HH12 ARG 32 HH22 ARG 32 -10.820 8.126 5.117
263 HH21 ARG 32 HH11 ARG 32 -12.745 10.996 5.320
264 HH22 ARG 32 HH12 ARG 32 -11.505 10.047 6.071
265 H VAL 33 HN VAL 33 -9.006 6.530 -1.351
266 HA VAL 33 HA VAL 33 -10.027 6.748 -4.177
267 HB VAL 33 HB VAL 33 -7.260 5.836 -3.313
268 HG11 VAL 33 HG11 VAL 33 -8.627 6.128 -6.010
269 HG12 VAL 33 HG12 VAL 33 -8.026 4.640 -5.284
270 HG13 VAL 33 HG13 VAL 33 -6.892 5.882 -5.818
271 HG21 VAL 33 HG21 VAL 33 -8.317 8.410 -4.521
272 HG22 VAL 33 HG22 VAL 33 -6.646 7.907 -4.774
273 HG23 VAL 33 HG23 VAL 33 -7.232 8.213 -3.144
274 H GLU 34 HN GLU 34 -10.590 4.840 -5.150
275 HA GLU 34 HA GLU 34 -10.870 2.498 -3.313
276 HB2 GLU 34 HB2 GLU 34 -12.223 2.746 -5.998
277 HB3 GLU 34 HB1 GLU 34 -12.751 1.871 -4.561
278 HG2 GLU 34 HG2 GLU 34 -14.144 3.776 -4.593
279 HG3 GLU 34 HG1 GLU 34 -12.886 4.202 -3.434
280 H PHE 35 HN PHE 35 -10.207 0.448 -3.938
281 HA PHE 35 HA PHE 35 -8.629 0.143 -6.472
282 HB2 PHE 35 HB2 PHE 35 -7.813 -0.483 -3.634
283 HB3 PHE 35 HB1 PHE 35 -7.123 -1.370 -4.989
284 HD1 PHE 35 HD2 PHE 35 -6.368 0.241 -7.022
285 HD2 PHE 35 HD1 PHE 35 -6.619 1.388 -2.894
286 HE1 PHE 35 HE2 PHE 35 -4.731 2.055 -7.431
287 HE2 PHE 35 HE1 PHE 35 -4.967 3.194 -3.297
288 HZ PHE 35 HZ PHE 35 -4.031 3.535 -5.568
289 H THR 36 HN THR 36 -9.105 -1.774 -7.491
290 HA THR 36 HA THR 36 -10.826 -3.750 -6.012
291 HB THR 36 HB THR 36 -11.628 -4.316 -8.396
292 HG1 THR 36 HG1 THR 36 -10.273 -1.866 -8.775
293 HG21 THR 36 HG21 THR 36 -13.300 -2.539 -8.342
294 HG22 THR 36 HG22 THR 36 -12.272 -1.572 -7.284
295 HG23 THR 36 HG23 THR 36 -12.966 -3.083 -6.697
296 H ALA 37 HN ALA 37 -10.459 -5.978 -6.508
297 HA ALA 37 HA ALA 37 -7.841 -6.862 -6.562
298 HB1 ALA 37 HB1 ALA 37 -10.039 -8.370 -7.981
299 HB2 ALA 37 HB2 ALA 37 -9.968 -8.236 -6.223
300 HB3 ALA 37 HB3 ALA 37 -8.662 -9.033 -7.101
301 H THR 38 HN THR 38 -9.546 -5.510 -9.263
302 HA THR 38 HA THR 38 -8.074 -6.822 -11.353
303 HB THR 38 HB THR 38 -8.786 -4.670 -12.650
304 HG1 THR 38 HG1 THR 38 -9.600 -4.186 -10.077
305 HG21 THR 38 HG21 THR 38 -10.661 -6.669 -11.384
306 HG22 THR 38 HG22 THR 38 -10.040 -6.637 -13.033
307 HG23 THR 38 HG23 THR 38 -11.244 -5.454 -12.521
308 H SER 39 HN SER 39 -7.289 -4.175 -9.184
309 HA SER 39 HA SER 39 -4.815 -3.619 -10.813
310 HB2 SER 39 HB2 SER 39 -4.745 -1.458 -9.680
311 HB3 SER 39 HB1 SER 39 -6.300 -1.672 -10.476
312 HG SER 39 HG SER 39 -7.173 -1.454 -8.586
313 H VAL 40 HN VAL 40 -5.505 -5.682 -8.533
314 HA VAL 40 HA VAL 40 -4.060 -5.091 -6.207
315 HB VAL 40 HB VAL 40 -5.378 -7.192 -6.629
316 HG11 VAL 40 HG11 VAL 40 -4.414 -7.686 -8.870
317 HG12 VAL 40 HG12 VAL 40 -4.323 -9.061 -7.773
318 HG13 VAL 40 HG13 VAL 40 -2.884 -8.097 -8.094
319 HG21 VAL 40 HG21 VAL 40 -3.979 -8.641 -5.269
320 HG22 VAL 40 HG22 VAL 40 -3.770 -6.982 -4.714
321 HG23 VAL 40 HG23 VAL 40 -2.534 -7.734 -5.723
322 H SER 41 HN SER 41 -2.864 -5.186 -9.381
323 HA SER 41 HA SER 41 -0.130 -5.984 -8.651
324 HB2 SER 41 HB2 SER 41 0.381 -5.541 -11.004
325 HB3 SER 41 HB1 SER 41 -1.076 -6.523 -10.876
326 HG SER 41 HG SER 41 -1.750 -3.947 -10.751
327 H ASP 42 HN ASP 42 -1.647 -2.951 -9.876
328 HA ASP 42 HA ASP 42 0.721 -1.396 -9.569
329 HB2 ASP 42 HB2 ASP 42 -0.655 0.548 -9.835
330 HB3 ASP 42 HB1 ASP 42 -1.346 -0.709 -10.858
331 H LEU 43 HN LEU 43 -1.642 -2.475 -7.217
332 HA LEU 43 HA LEU 43 -0.859 -0.531 -5.197
333 HB2 LEU 43 HB2 LEU 43 -3.052 -1.733 -5.134
334 HB3 LEU 43 HB1 LEU 43 -2.176 -3.234 -4.851
335 HG LEU 43 HG LEU 43 -1.105 -1.866 -2.824
336 HD11 LEU 43 HD11 LEU 43 -3.823 -0.590 -2.855
337 HD12 LEU 43 HD12 LEU 43 -2.481 0.194 -3.677
338 HD13 LEU 43 HD13 LEU 43 -2.387 -0.128 -1.947
339 HD21 LEU 43 HD21 LEU 43 -2.487 -3.915 -2.630
340 HD22 LEU 43 HD22 LEU 43 -3.943 -2.932 -2.732
341 HD23 LEU 43 HD23 LEU 43 -2.855 -2.754 -1.357
342 H LYS 44 HN LYS 44 0.040 -3.866 -6.035
343 HA LYS 44 HA LYS 44 1.715 -4.462 -3.859
344 HB2 LYS 44 HB2 LYS 44 1.196 -5.541 -6.439
345 HB3 LYS 44 HB1 LYS 44 2.942 -5.350 -6.367
346 HG2 LYS 44 HG2 LYS 44 2.898 -6.563 -4.150
347 HG3 LYS 44 HG1 LYS 44 1.186 -6.889 -4.431
348 HD2 LYS 44 HD2 LYS 44 1.937 -7.870 -6.702
349 HD3 LYS 44 HD1 LYS 44 3.562 -7.866 -6.020
350 HE2 LYS 44 HE2 LYS 44 2.693 -9.196 -4.082
351 HE3 LYS 44 HE1 LYS 44 1.135 -9.295 -4.902
352 HZ1 LYS 44 HZ1 LYS 44 3.680 -10.566 -5.587
353 HZ2 LYS 44 HZ2 LYS 44 2.639 -10.131 -6.856
354 HZ3 LYS 44 HZ3 LYS 44 2.107 -11.196 -5.645
355 H LYS 45 HN LYS 45 2.343 -2.416 -6.681
356 HA LYS 45 HA LYS 45 5.158 -2.029 -6.074
357 HB2 LYS 45 HB2 LYS 45 3.224 -0.441 -7.785
358 HB3 LYS 45 HB1 LYS 45 4.957 -0.124 -7.699
359 HG2 LYS 45 HG2 LYS 45 5.383 -2.475 -8.422
360 HG3 LYS 45 HG1 LYS 45 3.644 -2.697 -8.616
361 HD2 LYS 45 HD2 LYS 45 3.565 -0.925 -10.293
362 HD3 LYS 45 HD1 LYS 45 5.280 -0.587 -10.052
363 HE2 LYS 45 HE2 LYS 45 4.156 -3.234 -11.016
364 HE3 LYS 45 HE1 LYS 45 4.880 -2.006 -12.055
365 HZ1 LYS 45 HZ1 LYS 45 6.630 -2.486 -9.933
366 HZ2 LYS 45 HZ2 LYS 45 6.860 -2.830 -11.582
367 HZ3 LYS 45 HZ3 LYS 45 6.166 -3.994 -10.556
368 H TYR 46 HN TYR 46 2.222 -0.083 -5.509
369 HA TYR 46 HA TYR 46 3.386 2.186 -4.336
370 HB2 TYR 46 HB2 TYR 46 0.980 1.943 -4.844
371 HB3 TYR 46 HB1 TYR 46 0.831 0.765 -3.549
372 HD1 TYR 46 HD2 TYR 46 2.342 4.203 -3.927
373 HD2 TYR 46 HD1 TYR 46 -0.204 1.603 -1.632
374 HE1 TYR 46 HE2 TYR 46 1.903 6.039 -2.325
375 HE2 TYR 46 HE1 TYR 46 -0.657 3.453 -0.043
376 HH TYR 46 HH TYR 46 0.176 5.503 0.667
377 H ILE 47 HN ILE 47 2.949 -1.036 -3.006
378 HA ILE 47 HA ILE 47 3.581 -0.239 -0.269
379 HB ILE 47 HB ILE 47 3.433 -2.944 -1.628
380 HG12 ILE 47 HG12 ILE 47 1.660 -1.720 0.504
381 HG13 ILE 47 HG11 ILE 47 1.315 -1.580 -1.219
382 HG21 ILE 47 HG21 ILE 47 4.088 -2.173 1.223
383 HG22 ILE 47 HG22 ILE 47 4.983 -3.254 0.157
384 HG23 ILE 47 HG23 ILE 47 3.426 -3.757 0.817
385 HD11 ILE 47 HD11 ILE 47 1.743 -4.233 0.176
386 HD12 ILE 47 HD12 ILE 47 1.132 -3.968 -1.459
387 HD13 ILE 47 HD13 ILE 47 0.152 -3.510 -0.066
388 H ALA 48 HN ALA 48 5.352 -1.510 -3.046
389 HA ALA 48 HA ALA 48 7.811 -1.966 -1.582
390 HB1 ALA 48 HB1 ALA 48 7.324 -3.108 -3.715
391 HB2 ALA 48 HB2 ALA 48 8.829 -2.194 -3.815
392 HB3 ALA 48 HB3 ALA 48 7.360 -1.556 -4.552
393 H GLU 49 HN GLU 49 6.599 0.693 -3.624
394 HA GLU 49 HA GLU 49 8.972 2.256 -3.587
395 HB2 GLU 49 HB2 GLU 49 6.085 3.161 -3.774
396 HB3 GLU 49 HB1 GLU 49 7.485 4.167 -4.139
397 HG2 GLU 49 HG2 GLU 49 8.175 2.589 -5.898
398 HG3 GLU 49 HG1 GLU 49 6.786 1.564 -5.530
399 H LEU 50 HN LEU 50 6.320 2.027 -1.216
400 HA LEU 50 HA LEU 50 7.306 4.300 0.311
401 HB2 LEU 50 HB2 LEU 50 5.395 2.064 1.070
402 HB3 LEU 50 HB1 LEU 50 5.897 3.306 2.208
403 HG LEU 50 HG LEU 50 4.559 3.861 -0.460
404 HD11 LEU 50 HD11 LEU 50 2.695 4.650 1.212
405 HD12 LEU 50 HD12 LEU 50 3.500 3.571 2.353
406 HD13 LEU 50 HD13 LEU 50 2.842 2.934 0.848
407 HD21 LEU 50 HD21 LEU 50 5.718 5.589 1.709
408 HD22 LEU 50 HD22 LEU 50 4.221 6.136 0.955
409 HD23 LEU 50 HD23 LEU 50 5.651 5.867 -0.031
410 H GLU 51 HN GLU 51 8.008 0.843 0.308
411 HA GLU 51 HA GLU 51 9.398 0.790 2.808
412 HB2 GLU 51 HB2 GLU 51 9.717 -0.880 0.298
413 HB3 GLU 51 HB1 GLU 51 10.665 -1.165 1.756
414 HG2 GLU 51 HG2 GLU 51 8.712 -1.638 3.043
415 HG3 GLU 51 HG1 GLU 51 7.646 -1.044 1.769
416 H VAL 52 HN VAL 52 10.314 1.947 -0.393
417 HA VAL 52 HA VAL 52 13.147 2.227 0.342
418 HB VAL 52 HB VAL 52 11.563 3.193 -2.059
419 HG11 VAL 52 HG11 VAL 52 14.497 3.419 -1.353
420 HG12 VAL 52 HG12 VAL 52 13.392 4.710 -1.823
421 HG13 VAL 52 HG13 VAL 52 13.916 3.521 -3.016
422 HG21 VAL 52 HG21 VAL 52 11.775 0.821 -2.155
423 HG22 VAL 52 HG22 VAL 52 13.425 0.865 -1.537
424 HG23 VAL 52 HG23 VAL 52 13.079 1.433 -3.170
425 H GLN 53 HN GLN 53 10.248 4.118 0.593
426 HA GLN 53 HA GLN 53 11.752 6.656 0.898
427 HB2 GLN 53 HB2 GLN 53 8.787 6.012 1.019
428 HB3 GLN 53 HB1 GLN 53 9.460 7.627 1.248
429 HG2 GLN 53 HG2 GLN 53 10.466 7.542 -0.993
430 HG3 GLN 53 HG1 GLN 53 9.830 5.913 -1.226
431 HE21 GLN 53 HE21 GLN 53 8.122 8.647 0.337
432 HE22 GLN 53 HE22 GLN 53 6.877 8.732 -0.814
433 H THR 54 HN THR 54 10.860 4.041 2.804
434 HA THR 54 HA THR 54 11.009 5.692 5.306
435 HB THR 54 HB THR 54 9.005 3.805 4.387
436 HG1 THR 54 HG1 THR 54 8.623 5.811 5.358
437 HG21 THR 54 HG21 THR 54 10.212 2.087 5.641
438 HG22 THR 54 HG22 THR 54 8.755 2.540 6.522
439 HG23 THR 54 HG23 THR 54 10.324 3.152 7.045
440 H GLY 55 HN GLY 55 12.346 3.155 3.420
441 HA2 GLY 55 HA2 GLY 55 14.361 1.983 3.783
442 HA3 GLY 55 HA1 GLY 55 14.511 2.819 5.329
443 H MET 56 HN MET 56 14.786 1.079 6.810
444 HA MET 56 HA MET 56 14.214 -0.861 8.029
445 HB2 MET 56 HB2 MET 56 12.075 0.548 8.228
446 HB3 MET 56 HB1 MET 56 11.415 -0.472 6.949
447 HG2 MET 56 HG2 MET 56 10.752 -1.464 9.034
448 HG3 MET 56 HG1 MET 56 12.034 -2.478 8.369
449 HE1 MET 56 HE1 MET 56 12.852 -3.622 10.564
450 HE2 MET 56 HE2 MET 56 11.315 -2.946 11.099
451 HE3 MET 56 HE3 MET 56 12.742 -2.780 12.117
452 H THR 57 HN THR 57 15.484 -1.665 5.907
453 HA THR 57 HA THR 57 13.782 -3.458 4.260
454 HB THR 57 HB THR 57 15.660 -2.065 3.256
455 HG1 THR 57 HG1 THR 57 15.096 -4.699 2.940
456 HG21 THR 57 HG21 THR 57 17.218 -2.541 5.223
457 HG22 THR 57 HG22 THR 57 17.935 -2.706 3.622
458 HG23 THR 57 HG23 THR 57 17.460 -4.146 4.528
459 H GLN 58 HN GLN 58 15.649 -5.520 3.846
460 HA GLN 58 HA GLN 58 16.672 -6.617 6.281
461 HB2 GLN 58 HB2 GLN 58 14.260 -6.852 6.819
462 HB3 GLN 58 HB1 GLN 58 14.030 -7.780 5.337
463 HG2 GLN 58 HG2 GLN 58 15.495 -9.532 6.128
464 HG3 GLN 58 HG1 GLN 58 15.961 -8.572 7.534
465 HE21 GLN 58 HE21 GLN 58 13.220 -10.337 6.071
466 HE22 GLN 58 HE22 GLN 58 12.342 -10.494 7.514
467 H ARG 59 HN ARG 59 15.581 -7.017 2.985
468 HA ARG 59 HA ARG 59 16.710 -9.616 2.515
469 HB2 ARG 59 HB2 ARG 59 16.475 -7.426 0.443
470 HB3 ARG 59 HB1 ARG 59 16.372 -9.170 0.201
471 HG2 ARG 59 HG2 ARG 59 14.378 -7.436 1.688
472 HG3 ARG 59 HG1 ARG 59 14.126 -8.231 0.134
473 HD2 ARG 59 HD2 ARG 59 14.391 -9.490 2.861
474 HD3 ARG 59 HD1 ARG 59 13.096 -9.689 1.680
475 HE ARG 59 HE ARG 59 15.335 -10.674 0.378
476 HH11 ARG 59 HH21 ARG 59 13.763 -11.200 3.401
477 HH12 ARG 59 HH22 ARG 59 14.232 -12.864 3.507
478 HH21 ARG 59 HH11 ARG 59 15.955 -12.844 0.497
479 HH22 ARG 59 HH12 ARG 59 15.472 -13.795 1.863
480 H ARG 60 HN ARG 60 18.442 -9.279 0.355
481 HA ARG 60 HA ARG 60 20.605 -7.457 1.054
482 HB2 ARG 60 HB2 ARG 60 20.861 -9.279 2.755
483 HB3 ARG 60 HB1 ARG 60 21.071 -10.431 1.440
484 HG2 ARG 60 HG2 ARG 60 23.011 -9.048 0.626
485 HG3 ARG 60 HG1 ARG 60 22.841 -8.053 2.072
486 HD2 ARG 60 HD2 ARG 60 23.255 -9.977 3.503
487 HD3 ARG 60 HD1 ARG 60 23.285 -11.051 2.105
488 HE ARG 60 HE ARG 60 25.260 -9.185 1.553
489 HH11 ARG 60 HH21 ARG 60 24.459 -11.296 4.158
490 HH12 ARG 60 HH22 ARG 60 26.102 -11.522 4.656
491 HH21 ARG 60 HH11 ARG 60 27.411 -9.467 2.189
492 HH22 ARG 60 HH12 ARG 60 27.773 -10.485 3.543
493 H ARG 61 HN ARG 61 21.607 -10.500 -0.225
494 HA ARG 61 HA ARG 61 22.380 -11.051 -2.370
495 HB2 ARG 61 HB2 ARG 61 19.801 -11.012 -2.597
496 HB3 ARG 61 HB1 ARG 61 20.026 -9.460 -3.406
497 HG2 ARG 61 HG2 ARG 61 21.582 -10.559 -5.012
498 HG3 ARG 61 HG1 ARG 61 21.254 -12.108 -4.236
499 HD2 ARG 61 HD2 ARG 61 19.300 -10.343 -5.728
500 HD3 ARG 61 HD1 ARG 61 19.799 -11.983 -6.137
501 HE ARG 61 HE ARG 61 18.682 -12.251 -3.618
502 HH11 ARG 61 HH21 ARG 61 17.737 -10.879 -6.637
503 HH12 ARG 61 HH22 ARG 61 16.051 -11.208 -6.412
504 HH21 ARG 61 HH11 ARG 61 16.484 -12.689 -3.307
505 HH22 ARG 61 HH12 ARG 61 15.343 -12.233 -4.526
506 H GLY 62 HN GLY 62 23.677 -8.834 -1.305
507 HA2 GLY 62 HA2 GLY 62 24.964 -7.649 -3.461
508 HA3 GLY 62 HA1 GLY 62 23.607 -6.573 -3.125
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 7.720 11.931 7.486
2 H2 MET 1 HT2 MET 1 8.843 12.176 8.737
3 H3 MET 1 HT3 MET 1 7.825 10.817 8.761
4 HA MET 1 HA MET 1 9.207 10.798 6.330
5 HB2 MET 1 HB2 MET 1 10.933 11.164 8.797
6 HB3 MET 1 HB1 MET 1 11.525 10.598 7.236
7 HG2 MET 1 HG2 MET 1 10.764 12.697 6.182
8 HG3 MET 1 HG1 MET 1 10.178 13.267 7.745
9 HE1 MET 1 HE1 MET 1 13.188 15.568 7.356
10 HE2 MET 1 HE2 MET 1 11.472 15.398 7.716
11 HE3 MET 1 HE3 MET 1 12.066 15.030 6.099
12 H VAL 2 HN VAL 2 7.526 9.470 8.644
13 HA VAL 2 HA VAL 2 8.647 6.755 8.168
14 HB VAL 2 HB VAL 2 8.365 6.178 10.572
15 HG11 VAL 2 HG11 VAL 2 10.385 7.306 11.358
16 HG12 VAL 2 HG12 VAL 2 10.200 8.554 10.125
17 HG13 VAL 2 HG13 VAL 2 10.569 6.896 9.653
18 HG21 VAL 2 HG21 VAL 2 7.480 9.054 10.696
19 HG22 VAL 2 HG22 VAL 2 8.370 8.404 12.071
20 HG23 VAL 2 HG23 VAL 2 6.859 7.653 11.572
21 H ARG 3 HN ARG 3 6.852 6.132 6.914
22 HA ARG 3 HA ARG 3 4.140 6.734 7.871
23 HB2 ARG 3 HB2 ARG 3 5.290 5.287 5.484
24 HB3 ARG 3 HB1 ARG 3 3.574 5.150 5.863
25 HG2 ARG 3 HG2 ARG 3 4.137 7.004 4.240
26 HG3 ARG 3 HG1 ARG 3 3.263 7.534 5.676
27 HD2 ARG 3 HD2 ARG 3 5.232 8.424 6.675
28 HD3 ARG 3 HD1 ARG 3 6.281 7.592 5.528
29 HE ARG 3 HE ARG 3 4.729 9.238 3.929
30 HH11 ARG 3 HH21 ARG 3 6.717 9.608 6.721
31 HH12 ARG 3 HH22 ARG 3 7.191 11.228 6.334
32 HH21 ARG 3 HH11 ARG 3 5.336 11.354 3.406
33 HH22 ARG 3 HH12 ARG 3 6.409 12.216 4.458
34 H GLN 4 HN GLN 4 5.954 5.083 9.520
35 HA GLN 4 HA GLN 4 5.541 2.347 9.514
36 HB2 GLN 4 HB2 GLN 4 5.539 4.270 11.847
37 HB3 GLN 4 HB1 GLN 4 5.537 2.518 12.051
38 HG2 GLN 4 HG2 GLN 4 7.592 3.974 10.374
39 HG3 GLN 4 HG1 GLN 4 7.836 3.603 12.081
40 HE21 GLN 4 HE21 GLN 4 7.783 2.238 8.855
41 HE22 GLN 4 HE22 GLN 4 8.214 0.659 9.306
42 H GLU 5 HN GLU 5 3.248 4.800 10.729
43 HA GLU 5 HA GLU 5 1.271 2.821 11.576
44 HB2 GLU 5 HB2 GLU 5 1.369 5.810 11.282
45 HB3 GLU 5 HB1 GLU 5 -0.223 5.058 11.355
46 HG2 GLU 5 HG2 GLU 5 0.451 3.916 13.474
47 HG3 GLU 5 HG1 GLU 5 1.987 4.783 13.424
48 H GLU 6 HN GLU 6 1.182 5.150 8.824
49 HA GLU 6 HA GLU 6 -1.122 4.027 7.607
50 HB2 GLU 6 HB2 GLU 6 1.227 5.407 6.271
51 HB3 GLU 6 HB1 GLU 6 -0.305 5.051 5.484
52 HG2 GLU 6 HG2 GLU 6 -1.264 6.373 7.639
53 HG3 GLU 6 HG1 GLU 6 0.331 7.126 7.555
54 H LEU 7 HN LEU 7 2.289 3.163 7.319
55 HA LEU 7 HA LEU 7 2.220 1.383 5.158
56 HB2 LEU 7 HB2 LEU 7 4.323 1.866 6.206
57 HB3 LEU 7 HB1 LEU 7 3.749 1.301 7.770
58 HG LEU 7 HG LEU 7 3.707 -0.998 6.999
59 HD11 LEU 7 HD11 LEU 7 4.588 -1.452 4.637
60 HD12 LEU 7 HD12 LEU 7 4.301 0.256 4.314
61 HD13 LEU 7 HD13 LEU 7 2.957 -0.796 4.743
62 HD21 LEU 7 HD21 LEU 7 6.231 0.468 6.179
63 HD22 LEU 7 HD22 LEU 7 6.121 -1.281 6.377
64 HD23 LEU 7 HD23 LEU 7 5.875 -0.218 7.764
65 H ALA 8 HN ALA 8 1.674 0.585 8.611
66 HA ALA 8 HA ALA 8 0.966 -2.118 8.285
67 HB1 ALA 8 HB1 ALA 8 -0.449 -1.726 10.387
68 HB2 ALA 8 HB2 ALA 8 0.056 -0.039 10.280
69 HB3 ALA 8 HB3 ALA 8 1.260 -1.307 10.505
70 H ALA 9 HN ALA 9 -1.021 0.783 7.858
71 HA ALA 9 HA ALA 9 -3.525 -0.611 7.591
72 HB1 ALA 9 HB1 ALA 9 -2.790 2.037 6.320
73 HB2 ALA 9 HB2 ALA 9 -3.225 1.871 8.022
74 HB3 ALA 9 HB3 ALA 9 -4.400 1.473 6.768
75 H ALA 10 HN ALA 10 -0.910 0.091 5.355
76 HA ALA 10 HA ALA 10 -2.427 -0.468 2.952
77 HB1 ALA 10 HB1 ALA 10 0.564 -0.775 3.257
78 HB2 ALA 10 HB2 ALA 10 -0.205 0.807 3.135
79 HB3 ALA 10 HB3 ALA 10 -0.345 -0.345 1.808
80 H ARG 11 HN ARG 11 -0.246 -2.412 5.001
81 HA ARG 11 HA ARG 11 -0.276 -4.768 3.416
82 HB2 ARG 11 HB2 ARG 11 0.060 -4.287 6.382
83 HB3 ARG 11 HB1 ARG 11 0.080 -5.920 5.718
84 HG2 ARG 11 HG2 ARG 11 1.894 -5.215 4.155
85 HG3 ARG 11 HG1 ARG 11 1.931 -3.643 4.949
86 HD2 ARG 11 HD2 ARG 11 2.198 -5.134 7.140
87 HD3 ARG 11 HD1 ARG 11 2.818 -6.319 5.992
88 HE ARG 11 HE ARG 11 4.259 -4.094 7.011
89 HH11 ARG 11 HH21 ARG 11 3.532 -5.575 3.976
90 HH12 ARG 11 HH22 ARG 11 4.831 -4.794 3.146
91 HH21 ARG 11 HH11 ARG 11 5.963 -3.101 5.944
92 HH22 ARG 11 HH12 ARG 11 6.210 -3.405 4.257
93 H ALA 12 HN ALA 12 -2.593 -3.455 5.716
94 HA ALA 12 HA ALA 12 -4.211 -5.813 5.986
95 HB1 ALA 12 HB1 ALA 12 -5.946 -4.261 6.809
96 HB2 ALA 12 HB2 ALA 12 -4.998 -2.892 6.227
97 HB3 ALA 12 HB3 ALA 12 -4.380 -3.901 7.536
98 H ALA 13 HN ALA 13 -4.313 -3.065 3.718
99 HA ALA 13 HA ALA 13 -6.748 -3.743 2.435
100 HB1 ALA 13 HB1 ALA 13 -4.437 -2.642 0.852
101 HB2 ALA 13 HB2 ALA 13 -5.165 -1.668 2.130
102 HB3 ALA 13 HB3 ALA 13 -6.150 -2.215 0.773
103 H LEU 14 HN LEU 14 -3.480 -5.034 2.012
104 HA LEU 14 HA LEU 14 -4.082 -6.544 -0.376
105 HB2 LEU 14 HB2 LEU 14 -1.769 -6.155 0.100
106 HB3 LEU 14 HB1 LEU 14 -1.916 -6.779 1.735
107 HG LEU 14 HG LEU 14 -2.311 -9.058 0.834
108 HD11 LEU 14 HD11 LEU 14 -1.863 -9.379 -1.639
109 HD12 LEU 14 HD12 LEU 14 -2.004 -7.632 -1.820
110 HD13 LEU 14 HD13 LEU 14 -3.385 -8.574 -1.267
111 HD21 LEU 14 HD21 LEU 14 -0.054 -9.440 -0.021
112 HD22 LEU 14 HD22 LEU 14 -0.001 -8.264 1.292
113 HD23 LEU 14 HD23 LEU 14 0.124 -7.723 -0.382
114 H HIS 15 HN HIS 15 -4.394 -7.184 3.086
115 HA HIS 15 HA HIS 15 -5.058 -9.993 2.730
116 HB2 HIS 15 HB2 HIS 15 -5.218 -8.074 5.051
117 HB3 HIS 15 HB1 HIS 15 -5.832 -9.722 5.169
118 HD1 HIS 15 HD1 HIS 15 -2.621 -7.802 4.610
119 HD2 HIS 15 HD2 HIS 15 -3.856 -11.706 5.393
120 HE1 HIS 15 HE1 HIS 15 -0.524 -9.129 5.115
121 H ASP 16 HN ASP 16 -6.935 -7.026 3.216
122 HA ASP 16 HA ASP 16 -9.406 -8.510 3.380
123 HB2 ASP 16 HB2 ASP 16 -9.090 -6.279 4.426
124 HB3 ASP 16 HB1 ASP 16 -8.996 -5.563 2.817
125 H LEU 17 HN LEU 17 -7.623 -7.043 0.709
126 HA LEU 17 HA LEU 17 -9.908 -7.228 -1.109
127 HB2 LEU 17 HB2 LEU 17 -6.979 -6.625 -1.573
128 HB3 LEU 17 HB1 LEU 17 -8.105 -6.831 -2.906
129 HG LEU 17 HG LEU 17 -8.474 -4.839 -0.652
130 HD11 LEU 17 HD11 LEU 17 -6.577 -4.119 -1.902
131 HD12 LEU 17 HD12 LEU 17 -7.934 -3.198 -2.547
132 HD13 LEU 17 HD13 LEU 17 -7.313 -4.587 -3.434
133 HD21 LEU 17 HD21 LEU 17 -10.024 -3.905 -2.652
134 HD22 LEU 17 HD22 LEU 17 -10.631 -5.078 -1.493
135 HD23 LEU 17 HD23 LEU 17 -10.077 -5.615 -3.077
136 H MET 18 HN MET 18 -7.216 -9.353 -0.267
137 HA MET 18 HA MET 18 -8.012 -11.207 -2.472
138 HB2 MET 18 HB2 MET 18 -5.652 -10.750 -2.422
139 HB3 MET 18 HB1 MET 18 -5.572 -11.085 -0.692
140 HG2 MET 18 HG2 MET 18 -5.791 -13.395 -0.994
141 HG3 MET 18 HG1 MET 18 -6.553 -13.219 -2.576
142 HE1 MET 18 HE1 MET 18 -5.223 -11.780 -4.484
143 HE2 MET 18 HE2 MET 18 -5.415 -13.518 -4.695
144 HE3 MET 18 HE3 MET 18 -3.873 -12.756 -5.077
145 H THR 19 HN THR 19 -8.858 -10.710 0.685
146 HA THR 19 HA THR 19 -8.993 -13.609 1.366
147 HB THR 19 HB THR 19 -9.611 -11.109 2.963
148 HG1 THR 19 HG1 THR 19 -7.587 -13.084 2.985
149 HG21 THR 19 HG21 THR 19 -11.157 -12.742 3.734
150 HG22 THR 19 HG22 THR 19 -9.801 -12.816 4.859
151 HG23 THR 19 HG23 THR 19 -9.969 -14.037 3.597
152 H GLY 20 HN GLY 20 -10.988 -10.987 0.220
153 HA2 GLY 20 HA2 GLY 20 -13.107 -12.565 -0.657
154 HA3 GLY 20 HA1 GLY 20 -13.521 -12.165 1.010
155 H LYS 21 HN LYS 21 -13.160 -9.684 1.483
156 HA LYS 21 HA LYS 21 -15.038 -8.166 0.105
157 HB2 LYS 21 HB2 LYS 21 -12.546 -7.370 1.599
158 HB3 LYS 21 HB1 LYS 21 -13.581 -6.144 0.871
159 HG2 LYS 21 HG2 LYS 21 -14.179 -6.543 3.236
160 HG3 LYS 21 HG1 LYS 21 -15.501 -6.987 2.155
161 HD2 LYS 21 HD2 LYS 21 -15.039 -9.314 2.382
162 HD3 LYS 21 HD1 LYS 21 -13.467 -9.004 3.121
163 HE2 LYS 21 HE2 LYS 21 -14.568 -8.027 5.090
164 HE3 LYS 21 HE1 LYS 21 -16.147 -8.290 4.349
165 HZ1 LYS 21 HZ1 LYS 21 -14.569 -10.102 5.818
166 HZ2 LYS 21 HZ2 LYS 21 -14.778 -10.705 4.243
167 HZ3 LYS 21 HZ3 LYS 21 -16.131 -10.319 5.196
168 H ARG 22 HN ARG 22 -15.107 -7.187 -1.868
169 HA ARG 22 HA ARG 22 -12.722 -7.411 -3.620
170 HB2 ARG 22 HB2 ARG 22 -15.470 -6.421 -4.398
171 HB3 ARG 22 HB1 ARG 22 -14.221 -7.104 -5.441
172 HG2 ARG 22 HG2 ARG 22 -14.446 -9.269 -4.202
173 HG3 ARG 22 HG1 ARG 22 -15.797 -8.571 -3.308
174 HD2 ARG 22 HD2 ARG 22 -16.643 -9.870 -5.206
175 HD3 ARG 22 HD1 ARG 22 -16.975 -8.156 -5.458
176 HE ARG 22 HE ARG 22 -14.538 -8.545 -6.714
177 HH11 ARG 22 HH21 ARG 22 -17.657 -10.010 -6.800
178 HH12 ARG 22 HH22 ARG 22 -17.543 -10.468 -8.467
179 HH21 ARG 22 HH11 ARG 22 -14.370 -9.134 -8.889
180 HH22 ARG 22 HH12 ARG 22 -15.682 -9.971 -9.650
181 H VAL 23 HN VAL 23 -14.301 -5.051 -1.706
182 HA VAL 23 HA VAL 23 -12.916 -2.850 -3.218
183 HB VAL 23 HB VAL 23 -15.511 -2.905 -3.175
184 HG11 VAL 23 HG11 VAL 23 -15.083 -1.677 -0.443
185 HG12 VAL 23 HG12 VAL 23 -15.559 -3.359 -0.652
186 HG13 VAL 23 HG13 VAL 23 -16.611 -2.070 -1.228
187 HG21 VAL 23 HG21 VAL 23 -15.593 -0.437 -2.963
188 HG22 VAL 23 HG22 VAL 23 -14.199 -0.964 -3.905
189 HG23 VAL 23 HG23 VAL 23 -13.989 -0.457 -2.228
190 H ALA 24 HN ALA 24 -11.856 -1.267 -2.036
191 HA ALA 24 HA ALA 24 -11.780 -1.409 0.915
192 HB1 ALA 24 HB1 ALA 24 -9.264 -1.506 0.901
193 HB2 ALA 24 HB2 ALA 24 -9.330 -1.855 -0.825
194 HB3 ALA 24 HB3 ALA 24 -10.018 -2.995 0.329
195 H THR 25 HN THR 25 -10.902 0.585 1.808
196 HA THR 25 HA THR 25 -10.290 2.740 -0.183
197 HB THR 25 HB THR 25 -11.785 4.276 1.099
198 HG1 THR 25 HG1 THR 25 -11.904 2.086 2.677
199 HG21 THR 25 HG21 THR 25 -12.493 2.834 -0.957
200 HG22 THR 25 HG22 THR 25 -13.749 3.630 -0.010
201 HG23 THR 25 HG23 THR 25 -13.427 1.911 0.220
202 H VAL 26 HN VAL 26 -8.877 4.327 0.618
203 HA VAL 26 HA VAL 26 -8.121 4.285 3.483
204 HB VAL 26 HB VAL 26 -5.651 4.297 2.755
205 HG11 VAL 26 HG11 VAL 26 -6.795 2.404 3.919
206 HG12 VAL 26 HG12 VAL 26 -5.518 1.870 2.826
207 HG13 VAL 26 HG13 VAL 26 -7.208 1.730 2.343
208 HG21 VAL 26 HG21 VAL 26 -6.719 2.840 0.340
209 HG22 VAL 26 HG22 VAL 26 -5.072 3.389 0.652
210 HG23 VAL 26 HG23 VAL 26 -6.339 4.562 0.294
211 H GLN 27 HN GLN 27 -6.501 6.162 3.870
212 HA GLN 27 HA GLN 27 -7.595 8.524 2.503
213 HB2 GLN 27 HB2 GLN 27 -7.174 8.466 4.976
214 HB3 GLN 27 HB1 GLN 27 -5.446 8.371 4.638
215 HG2 GLN 27 HG2 GLN 27 -5.527 10.513 3.456
216 HG3 GLN 27 HG1 GLN 27 -7.272 10.603 3.698
217 HE21 GLN 27 HE21 GLN 27 -7.981 11.575 5.621
218 HE22 GLN 27 HE22 GLN 27 -6.977 11.940 6.940
219 H LYS 28 HN LYS 28 -6.597 9.603 0.880
220 HA LYS 28 HA LYS 28 -3.667 9.169 0.424
221 HB2 LYS 28 HB2 LYS 28 -5.297 7.764 -1.128
222 HB3 LYS 28 HB1 LYS 28 -5.517 9.303 -1.960
223 HG2 LYS 28 HG2 LYS 28 -2.875 7.899 -1.461
224 HG3 LYS 28 HG1 LYS 28 -3.705 8.042 -3.010
225 HD2 LYS 28 HD2 LYS 28 -3.578 10.600 -2.620
226 HD3 LYS 28 HD1 LYS 28 -2.380 10.215 -1.383
227 HE2 LYS 28 HE2 LYS 28 -1.290 10.685 -3.547
228 HE3 LYS 28 HE1 LYS 28 -1.029 9.009 -3.059
229 HZ1 LYS 28 HZ1 LYS 28 -2.349 8.226 -4.699
230 HZ2 LYS 28 HZ2 LYS 28 -1.896 9.678 -5.458
231 HZ3 LYS 28 HZ3 LYS 28 -3.395 9.560 -4.668
232 H ASP 29 HN ASP 29 -3.039 11.220 0.985
233 HA ASP 29 HA ASP 29 -2.883 13.563 0.908
234 HB2 ASP 29 HB2 ASP 29 -3.748 12.977 -1.942
235 HB3 ASP 29 HB1 ASP 29 -3.088 14.518 -1.392
236 H GLY 30 HN GLY 30 -5.169 12.993 2.219
237 HA2 GLY 30 HA2 GLY 30 -7.207 13.966 2.824
238 HA3 GLY 30 HA1 GLY 30 -6.855 15.250 1.667
239 H ARG 31 HN ARG 31 -6.627 13.016 -0.507
240 HA ARG 31 HA ARG 31 -9.562 12.930 -1.058
241 HB2 ARG 31 HB2 ARG 31 -7.067 12.737 -2.743
242 HB3 ARG 31 HB1 ARG 31 -8.575 12.059 -3.356
243 HG2 ARG 31 HG2 ARG 31 -8.358 14.352 -4.138
244 HG3 ARG 31 HG1 ARG 31 -9.676 14.268 -2.972
245 HD2 ARG 31 HD2 ARG 31 -8.274 15.170 -1.221
246 HD3 ARG 31 HD1 ARG 31 -6.846 15.072 -2.251
247 HE ARG 31 HE ARG 31 -8.570 16.700 -3.679
248 HH11 ARG 31 HH21 ARG 31 -7.301 16.609 -0.475
249 HH12 ARG 31 HH22 ARG 31 -7.320 18.330 -0.276
250 HH21 ARG 31 HH11 ARG 31 -8.601 18.948 -3.438
251 HH22 ARG 31 HH12 ARG 31 -8.056 19.654 -1.953
252 H ARG 32 HN ARG 32 -10.656 11.066 -0.918
253 HA ARG 32 HA ARG 32 -9.224 8.601 -0.160
254 HB2 ARG 32 HB2 ARG 32 -11.408 7.744 0.392
255 HB3 ARG 32 HB1 ARG 32 -11.328 9.405 0.980
256 HG2 ARG 32 HG2 ARG 32 -12.327 9.921 -1.465
257 HG3 ARG 32 HG1 ARG 32 -12.919 8.268 -1.297
258 HD2 ARG 32 HD2 ARG 32 -14.566 9.928 -0.474
259 HD3 ARG 32 HD1 ARG 32 -14.018 8.861 0.819
260 HE ARG 32 HE ARG 32 -12.303 11.033 0.977
261 HH11 ARG 32 HH21 ARG 32 -15.714 10.531 0.921
262 HH12 ARG 32 HH22 ARG 32 -16.067 11.916 1.900
263 HH21 ARG 32 HH11 ARG 32 -12.744 12.842 2.255
264 HH22 ARG 32 HH12 ARG 32 -14.386 13.224 2.656
265 H VAL 33 HN VAL 33 -8.909 6.911 -1.555
266 HA VAL 33 HA VAL 33 -10.242 6.994 -4.251
267 HB VAL 33 HB VAL 33 -7.386 6.219 -3.564
268 HG11 VAL 33 HG11 VAL 33 -9.015 5.964 -6.110
269 HG12 VAL 33 HG12 VAL 33 -8.167 4.684 -5.246
270 HG13 VAL 33 HG13 VAL 33 -7.253 5.927 -6.100
271 HG21 VAL 33 HG21 VAL 33 -6.846 8.065 -5.148
272 HG22 VAL 33 HG22 VAL 33 -7.765 8.655 -3.765
273 HG23 VAL 33 HG23 VAL 33 -8.567 8.412 -5.315
274 H GLU 34 HN GLU 34 -10.642 4.970 -5.190
275 HA GLU 34 HA GLU 34 -10.954 2.763 -3.183
276 HB2 GLU 34 HB2 GLU 34 -12.307 2.870 -5.886
277 HB3 GLU 34 HB1 GLU 34 -12.807 2.003 -4.434
278 HG2 GLU 34 HG2 GLU 34 -12.972 4.425 -3.390
279 HG3 GLU 34 HG1 GLU 34 -13.059 4.936 -5.073
280 H PHE 35 HN PHE 35 -10.492 0.583 -3.875
281 HA PHE 35 HA PHE 35 -8.759 0.264 -6.296
282 HB2 PHE 35 HB2 PHE 35 -8.063 -0.316 -3.414
283 HB3 PHE 35 HB1 PHE 35 -7.347 -1.276 -4.709
284 HD1 PHE 35 HD2 PHE 35 -6.466 0.204 -6.766
285 HD2 PHE 35 HD1 PHE 35 -6.872 1.587 -2.723
286 HE1 PHE 35 HE2 PHE 35 -4.791 1.976 -7.210
287 HE2 PHE 35 HE1 PHE 35 -5.186 3.357 -3.163
288 HZ PHE 35 HZ PHE 35 -4.152 3.555 -5.408
289 H THR 36 HN THR 36 -9.208 -1.630 -7.344
290 HA THR 36 HA THR 36 -11.005 -3.609 -5.963
291 HB THR 36 HB THR 36 -11.721 -4.137 -8.377
292 HG1 THR 36 HG1 THR 36 -11.394 -1.828 -9.437
293 HG21 THR 36 HG21 THR 36 -13.103 -2.889 -6.729
294 HG22 THR 36 HG22 THR 36 -13.361 -2.331 -8.382
295 HG23 THR 36 HG23 THR 36 -12.360 -1.388 -7.278
296 H ALA 37 HN ALA 37 -10.621 -5.831 -6.448
297 HA ALA 37 HA ALA 37 -7.997 -6.717 -6.451
298 HB1 ALA 37 HB1 ALA 37 -8.813 -8.886 -6.996
299 HB2 ALA 37 HB2 ALA 37 -10.172 -8.224 -7.905
300 HB3 ALA 37 HB3 ALA 37 -10.135 -8.086 -6.146
301 H THR 38 HN THR 38 -9.678 -5.384 -9.186
302 HA THR 38 HA THR 38 -8.141 -6.693 -11.236
303 HB THR 38 HB THR 38 -9.409 -3.961 -11.468
304 HG1 THR 38 HG1 THR 38 -11.329 -5.040 -11.875
305 HG21 THR 38 HG21 THR 38 -8.108 -4.710 -13.392
306 HG22 THR 38 HG22 THR 38 -9.826 -4.773 -13.786
307 HG23 THR 38 HG23 THR 38 -8.956 -6.256 -13.394
308 H SER 39 HN SER 39 -7.480 -3.973 -9.119
309 HA SER 39 HA SER 39 -5.026 -3.343 -10.751
310 HB2 SER 39 HB2 SER 39 -5.047 -1.155 -9.698
311 HB3 SER 39 HB1 SER 39 -6.619 -1.456 -10.429
312 HG SER 39 HG SER 39 -5.859 -1.359 -7.738
313 H VAL 40 HN VAL 40 -5.662 -5.387 -8.462
314 HA VAL 40 HA VAL 40 -4.269 -4.747 -6.118
315 HB VAL 40 HB VAL 40 -5.526 -6.875 -6.555
316 HG11 VAL 40 HG11 VAL 40 -4.414 -8.718 -7.709
317 HG12 VAL 40 HG12 VAL 40 -3.019 -7.697 -8.048
318 HG13 VAL 40 HG13 VAL 40 -4.579 -7.341 -8.795
319 HG21 VAL 40 HG21 VAL 40 -3.929 -6.671 -4.636
320 HG22 VAL 40 HG22 VAL 40 -2.677 -7.381 -5.654
321 HG23 VAL 40 HG23 VAL 40 -4.103 -8.323 -5.222
322 H SER 41 HN SER 41 -3.022 -4.822 -9.277
323 HA SER 41 HA SER 41 -0.278 -5.537 -8.515
324 HB2 SER 41 HB2 SER 41 0.254 -5.057 -10.854
325 HB3 SER 41 HB1 SER 41 -1.176 -6.079 -10.760
326 HG SER 41 HG SER 41 -2.212 -3.788 -10.686
327 H ASP 42 HN ASP 42 -1.869 -2.536 -9.718
328 HA ASP 42 HA ASP 42 0.436 -0.908 -9.398
329 HB2 ASP 42 HB2 ASP 42 -1.050 1.007 -9.503
330 HB3 ASP 42 HB1 ASP 42 -1.608 -0.210 -10.648
331 H LEU 43 HN LEU 43 -1.800 -2.161 -7.021
332 HA LEU 43 HA LEU 43 -1.071 -0.223 -4.974
333 HB2 LEU 43 HB2 LEU 43 -3.204 -1.546 -4.916
334 HB3 LEU 43 HB1 LEU 43 -2.241 -2.993 -4.637
335 HG LEU 43 HG LEU 43 -1.233 -1.559 -2.624
336 HD11 LEU 43 HD11 LEU 43 -2.637 0.086 -1.723
337 HD12 LEU 43 HD12 LEU 43 -4.027 -0.441 -2.666
338 HD13 LEU 43 HD13 LEU 43 -2.710 0.424 -3.450
339 HD21 LEU 43 HD21 LEU 43 -2.492 -3.685 -2.411
340 HD22 LEU 43 HD22 LEU 43 -4.004 -2.786 -2.503
341 HD23 LEU 43 HD23 LEU 43 -2.916 -2.543 -1.138
342 H LYS 44 HN LYS 44 -0.046 -3.547 -5.818
343 HA LYS 44 HA LYS 44 1.719 -4.004 -3.672
344 HB2 LYS 44 HB2 LYS 44 1.647 -4.881 -6.541
345 HB3 LYS 44 HB1 LYS 44 3.130 -5.187 -5.638
346 HG2 LYS 44 HG2 LYS 44 1.919 -6.439 -3.955
347 HG3 LYS 44 HG1 LYS 44 0.373 -6.011 -4.687
348 HD2 LYS 44 HD2 LYS 44 0.808 -7.333 -6.621
349 HD3 LYS 44 HD1 LYS 44 2.513 -7.505 -6.211
350 HE2 LYS 44 HE2 LYS 44 0.990 -9.519 -5.711
351 HE3 LYS 44 HE1 LYS 44 2.046 -8.975 -4.408
352 HZ1 LYS 44 HZ1 LYS 44 0.321 -8.218 -3.201
353 HZ2 LYS 44 HZ2 LYS 44 -0.563 -9.349 -4.112
354 HZ3 LYS 44 HZ3 LYS 44 -0.564 -7.708 -4.555
355 H LYS 45 HN LYS 45 2.161 -1.978 -6.537
356 HA LYS 45 HA LYS 45 4.969 -1.462 -6.082
357 HB2 LYS 45 HB2 LYS 45 2.850 0.110 -7.579
358 HB3 LYS 45 HB1 LYS 45 4.564 0.509 -7.603
359 HG2 LYS 45 HG2 LYS 45 3.986 -2.340 -8.244
360 HG3 LYS 45 HG1 LYS 45 3.316 -1.199 -9.405
361 HD2 LYS 45 HD2 LYS 45 5.544 -1.821 -10.131
362 HD3 LYS 45 HD1 LYS 45 5.582 -0.141 -9.602
363 HE2 LYS 45 HE2 LYS 45 6.631 -0.708 -7.539
364 HE3 LYS 45 HE1 LYS 45 6.287 -2.426 -7.753
365 HZ1 LYS 45 HZ1 LYS 45 8.053 -0.831 -9.526
366 HZ2 LYS 45 HZ2 LYS 45 7.795 -2.510 -9.590
367 HZ3 LYS 45 HZ3 LYS 45 8.604 -1.822 -8.265
368 H TYR 46 HN TYR 46 1.981 0.217 -5.153
369 HA TYR 46 HA TYR 46 3.159 2.508 -3.968
370 HB2 TYR 46 HB2 TYR 46 0.772 2.392 -4.369
371 HB3 TYR 46 HB1 TYR 46 0.622 1.009 -3.291
372 HD1 TYR 46 HD2 TYR 46 2.201 4.427 -3.100
373 HD2 TYR 46 HD1 TYR 46 -0.374 1.525 -1.242
374 HE1 TYR 46 HE2 TYR 46 1.835 5.966 -1.194
375 HE2 TYR 46 HE1 TYR 46 -0.744 3.073 0.658
376 HH TYR 46 HH TYR 46 0.372 4.968 1.725
377 H ILE 47 HN ILE 47 2.886 -0.784 -2.829
378 HA ILE 47 HA ILE 47 3.568 -0.113 -0.060
379 HB ILE 47 HB ILE 47 3.424 -2.748 -1.553
380 HG12 ILE 47 HG12 ILE 47 1.675 -1.667 0.672
381 HG13 ILE 47 HG11 ILE 47 1.294 -1.437 -1.034
382 HG21 ILE 47 HG21 ILE 47 4.130 -2.105 1.315
383 HG22 ILE 47 HG22 ILE 47 5.012 -3.124 0.179
384 HG23 ILE 47 HG23 ILE 47 3.476 -3.676 0.850
385 HD11 ILE 47 HD11 ILE 47 1.741 -4.138 0.268
386 HD12 ILE 47 HD12 ILE 47 1.213 -3.843 -1.389
387 HD13 ILE 47 HD13 ILE 47 0.155 -3.432 -0.040
388 H ALA 48 HN ALA 48 5.233 -1.128 -2.983
389 HA ALA 48 HA ALA 48 7.762 -1.693 -1.690
390 HB1 ALA 48 HB1 ALA 48 8.667 -1.704 -3.980
391 HB2 ALA 48 HB2 ALA 48 7.160 -1.013 -4.581
392 HB3 ALA 48 HB3 ALA 48 7.172 -2.635 -3.892
393 H GLU 49 HN GLU 49 6.495 1.132 -3.489
394 HA GLU 49 HA GLU 49 8.890 2.668 -3.319
395 HB2 GLU 49 HB2 GLU 49 7.546 4.580 -3.913
396 HB3 GLU 49 HB1 GLU 49 6.931 3.189 -4.804
397 HG2 GLU 49 HG2 GLU 49 5.235 2.884 -2.949
398 HG3 GLU 49 HG1 GLU 49 5.753 4.445 -2.314
399 H LEU 50 HN LEU 50 6.088 2.508 -1.095
400 HA LEU 50 HA LEU 50 7.057 4.578 0.639
401 HB2 LEU 50 HB2 LEU 50 5.196 2.246 1.185
402 HB3 LEU 50 HB1 LEU 50 5.692 3.345 2.463
403 HG LEU 50 HG LEU 50 4.356 4.221 -0.117
404 HD11 LEU 50 HD11 LEU 50 3.280 3.559 2.629
405 HD12 LEU 50 HD12 LEU 50 2.657 3.081 1.050
406 HD13 LEU 50 HD13 LEU 50 2.458 4.738 1.605
407 HD21 LEU 50 HD21 LEU 50 3.965 6.275 1.598
408 HD22 LEU 50 HD22 LEU 50 5.399 6.174 0.585
409 HD23 LEU 50 HD23 LEU 50 5.475 5.661 2.270
410 H GLU 51 HN GLU 51 7.865 1.135 0.448
411 HA GLU 51 HA GLU 51 9.281 1.066 2.951
412 HB2 GLU 51 HB2 GLU 51 9.420 -0.624 0.447
413 HB3 GLU 51 HB1 GLU 51 10.549 -0.881 1.776
414 HG2 GLU 51 HG2 GLU 51 7.546 -0.832 2.138
415 HG3 GLU 51 HG1 GLU 51 8.463 -2.313 1.860
416 H VAL 52 HN VAL 52 10.148 2.214 -0.265
417 HA VAL 52 HA VAL 52 12.993 2.467 0.426
418 HB VAL 52 HB VAL 52 11.366 3.410 -1.954
419 HG11 VAL 52 HG11 VAL 52 14.306 3.711 -1.300
420 HG12 VAL 52 HG12 VAL 52 13.164 4.974 -1.756
421 HG13 VAL 52 HG13 VAL 52 13.693 3.791 -2.952
422 HG21 VAL 52 HG21 VAL 52 12.835 1.678 -3.096
423 HG22 VAL 52 HG22 VAL 52 11.660 1.020 -1.958
424 HG23 VAL 52 HG23 VAL 52 13.353 1.168 -1.489
425 H GLN 53 HN GLN 53 10.115 4.370 0.749
426 HA GLN 53 HA GLN 53 11.635 6.901 1.036
427 HB2 GLN 53 HB2 GLN 53 8.671 6.268 1.228
428 HB3 GLN 53 HB1 GLN 53 9.355 7.877 1.457
429 HG2 GLN 53 HG2 GLN 53 10.342 7.764 -0.817
430 HG3 GLN 53 HG1 GLN 53 9.594 6.182 -1.046
431 HE21 GLN 53 HE21 GLN 53 9.067 8.885 -2.412
432 HE22 GLN 53 HE22 GLN 53 7.393 9.112 -2.249
433 H THR 54 HN THR 54 10.777 4.270 2.938
434 HA THR 54 HA THR 54 10.990 5.893 5.455
435 HB THR 54 HB THR 54 8.993 3.972 4.569
436 HG1 THR 54 HG1 THR 54 9.246 5.433 6.980
437 HG21 THR 54 HG21 THR 54 10.255 2.275 5.791
438 HG22 THR 54 HG22 THR 54 8.818 2.706 6.717
439 HG23 THR 54 HG23 THR 54 10.393 3.341 7.189
440 H GLY 55 HN GLY 55 11.942 2.984 3.695
441 HA2 GLY 55 HA2 GLY 55 13.735 2.125 5.885
442 HA3 GLY 55 HA1 GLY 55 13.497 1.288 4.350
443 H MET 56 HN MET 56 14.669 4.505 5.413
444 HA MET 56 HA MET 56 16.288 5.040 3.180
445 HB2 MET 56 HB2 MET 56 15.858 6.748 4.856
446 HB3 MET 56 HB1 MET 56 16.692 5.804 6.092
447 HG2 MET 56 HG2 MET 56 18.812 6.114 5.040
448 HG3 MET 56 HG1 MET 56 18.070 6.717 3.558
449 HE1 MET 56 HE1 MET 56 20.119 8.494 4.038
450 HE2 MET 56 HE2 MET 56 19.399 10.090 4.245
451 HE3 MET 56 HE3 MET 56 18.729 8.977 3.054
452 H THR 57 HN THR 57 18.712 4.799 2.939
453 HA THR 57 HA THR 57 20.035 2.869 4.725
454 HB THR 57 HB THR 57 18.753 1.493 3.021
455 HG1 THR 57 HG1 THR 57 20.681 0.757 4.014
456 HG21 THR 57 HG21 THR 57 19.416 1.523 0.721
457 HG22 THR 57 HG22 THR 57 20.792 2.579 1.058
458 HG23 THR 57 HG23 THR 57 19.146 3.207 1.170
459 H GLN 58 HN GLN 58 22.153 2.259 2.939
460 HA GLN 58 HA GLN 58 23.150 4.587 1.602
461 HB2 GLN 58 HB2 GLN 58 23.338 5.408 3.950
462 HB3 GLN 58 HB1 GLN 58 24.372 4.029 4.325
463 HG2 GLN 58 HG2 GLN 58 26.052 4.773 2.758
464 HG3 GLN 58 HG1 GLN 58 24.989 6.041 2.145
465 HE21 GLN 58 HE21 GLN 58 24.296 7.722 3.862
466 HE22 GLN 58 HE22 GLN 58 25.437 8.139 5.048
467 H ARG 59 HN ARG 59 25.306 4.197 0.716
468 HA ARG 59 HA ARG 59 26.865 2.772 -0.305
469 HB2 ARG 59 HB2 ARG 59 27.549 2.694 2.161
470 HB3 ARG 59 HB1 ARG 59 26.694 1.154 2.244
471 HG2 ARG 59 HG2 ARG 59 28.105 0.244 0.458
472 HG3 ARG 59 HG1 ARG 59 28.935 1.793 0.303
473 HD2 ARG 59 HD2 ARG 59 28.900 0.055 2.788
474 HD3 ARG 59 HD1 ARG 59 30.256 0.225 1.674
475 HE ARG 59 HE ARG 59 29.704 2.829 2.446
476 HH11 ARG 59 HH21 ARG 59 30.324 -0.174 4.023
477 HH12 ARG 59 HH22 ARG 59 31.072 0.554 5.406
478 HH21 ARG 59 HH11 ARG 59 30.677 3.797 4.241
479 HH22 ARG 59 HH12 ARG 59 31.273 2.802 5.529
480 H ARG 60 HN ARG 60 24.545 2.216 -1.393
481 HA ARG 60 HA ARG 60 23.620 -0.504 -0.897
482 HB2 ARG 60 HB2 ARG 60 22.246 -0.121 -2.948
483 HB3 ARG 60 HB1 ARG 60 22.053 1.163 -1.753
484 HG2 ARG 60 HG2 ARG 60 23.716 2.536 -2.972
485 HG3 ARG 60 HG1 ARG 60 23.867 1.262 -4.181
486 HD2 ARG 60 HD2 ARG 60 22.306 3.039 -4.921
487 HD3 ARG 60 HD1 ARG 60 21.488 1.487 -4.746
488 HE ARG 60 HE ARG 60 21.134 2.701 -2.281
489 HH11 ARG 60 HH21 ARG 60 20.597 3.536 -5.582
490 HH12 ARG 60 HH22 ARG 60 19.236 4.551 -5.244
491 HH21 ARG 60 HH11 ARG 60 19.359 4.022 -1.819
492 HH22 ARG 60 HH12 ARG 60 18.533 4.826 -3.112
493 H ARG 61 HN ARG 61 23.337 -1.479 -3.531
494 HA ARG 61 HA ARG 61 25.884 -1.486 -4.916
495 HB2 ARG 61 HB2 ARG 61 26.433 -2.868 -2.905
496 HB3 ARG 61 HB1 ARG 61 25.150 -3.989 -3.366
497 HG2 ARG 61 HG2 ARG 61 26.268 -4.486 -5.466
498 HG3 ARG 61 HG1 ARG 61 27.494 -3.259 -5.145
499 HD2 ARG 61 HD2 ARG 61 27.008 -5.659 -3.361
500 HD3 ARG 61 HD1 ARG 61 28.244 -5.603 -4.617
501 HE ARG 61 HE ARG 61 28.751 -3.346 -3.094
502 HH11 ARG 61 HH21 ARG 61 28.331 -6.718 -2.507
503 HH12 ARG 61 HH22 ARG 61 29.394 -6.748 -1.141
504 HH21 ARG 61 HH11 ARG 61 30.143 -3.367 -1.313
505 HH22 ARG 61 HH12 ARG 61 30.421 -4.851 -0.465
506 H GLY 62 HN GLY 62 23.557 -4.135 -4.349
507 HA2 GLY 62 HA2 GLY 62 23.230 -4.654 -7.152
508 HA3 GLY 62 HA1 GLY 62 22.185 -5.277 -5.874
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 8.514 11.263 9.719
2 H2 MET 1 HT2 MET 1 10.038 11.667 9.083
3 H3 MET 1 HT3 MET 1 9.828 10.211 9.934
4 HA MET 1 HA MET 1 8.138 10.632 7.595
5 HB2 MET 1 HB2 MET 1 10.598 11.345 7.094
6 HB3 MET 1 HB1 MET 1 10.966 9.628 7.244
7 HG2 MET 1 HG2 MET 1 9.352 9.095 5.483
8 HG3 MET 1 HG1 MET 1 8.874 10.789 5.377
9 HE1 MET 1 HE1 MET 1 9.609 11.750 3.028
10 HE2 MET 1 HE2 MET 1 9.199 10.039 2.931
11 HE3 MET 1 HE3 MET 1 10.611 10.649 2.071
12 H VAL 2 HN VAL 2 8.287 9.079 10.181
13 HA VAL 2 HA VAL 2 8.875 6.328 9.352
14 HB VAL 2 HB VAL 2 7.731 5.878 11.667
15 HG11 VAL 2 HG11 VAL 2 10.107 5.681 11.480
16 HG12 VAL 2 HG12 VAL 2 9.820 6.758 12.846
17 HG13 VAL 2 HG13 VAL 2 10.306 7.423 11.286
18 HG21 VAL 2 HG21 VAL 2 6.691 8.223 11.638
19 HG22 VAL 2 HG22 VAL 2 8.309 8.833 11.980
20 HG23 VAL 2 HG23 VAL 2 7.511 7.758 13.128
21 H ARG 3 HN ARG 3 7.399 5.928 7.602
22 HA ARG 3 HA ARG 3 4.561 6.458 7.856
23 HB2 ARG 3 HB2 ARG 3 6.288 4.879 5.957
24 HB3 ARG 3 HB1 ARG 3 4.537 4.702 5.886
25 HG2 ARG 3 HG2 ARG 3 5.390 6.454 4.334
26 HG3 ARG 3 HG1 ARG 3 4.262 7.093 5.521
27 HD2 ARG 3 HD2 ARG 3 6.042 7.988 6.858
28 HD3 ARG 3 HD1 ARG 3 7.270 7.152 5.916
29 HE ARG 3 HE ARG 3 6.109 9.740 5.371
30 HH11 ARG 3 HH21 ARG 3 7.100 6.848 3.760
31 HH12 ARG 3 HH22 ARG 3 7.190 7.605 2.204
32 HH21 ARG 3 HH11 ARG 3 6.233 10.723 3.365
33 HH22 ARG 3 HH12 ARG 3 6.701 9.791 1.981
34 H GLN 4 HN GLN 4 6.234 4.607 9.789
35 HA GLN 4 HA GLN 4 5.424 1.975 9.781
36 HB2 GLN 4 HB2 GLN 4 5.430 3.832 12.175
37 HB3 GLN 4 HB1 GLN 4 5.451 2.069 12.254
38 HG2 GLN 4 HG2 GLN 4 7.539 3.682 10.767
39 HG3 GLN 4 HG1 GLN 4 7.730 3.170 12.444
40 HE21 GLN 4 HE21 GLN 4 7.745 2.064 9.108
41 HE22 GLN 4 HE22 GLN 4 8.211 0.466 9.442
42 H GLU 5 HN GLU 5 3.362 4.766 10.629
43 HA GLU 5 HA GLU 5 1.136 3.069 11.509
44 HB2 GLU 5 HB2 GLU 5 1.322 6.009 10.777
45 HB3 GLU 5 HB1 GLU 5 -0.150 5.241 11.375
46 HG2 GLU 5 HG2 GLU 5 0.991 6.239 13.264
47 HG3 GLU 5 HG1 GLU 5 1.149 4.486 13.394
48 H GLU 6 HN GLU 6 1.000 5.480 8.877
49 HA GLU 6 HA GLU 6 -1.131 4.350 7.500
50 HB2 GLU 6 HB2 GLU 6 -0.311 5.450 5.452
51 HB3 GLU 6 HB1 GLU 6 -0.208 6.517 6.845
52 HG2 GLU 6 HG2 GLU 6 2.093 6.620 6.762
53 HG3 GLU 6 HG1 GLU 6 2.258 4.920 6.347
54 H LEU 7 HN LEU 7 2.200 3.256 7.504
55 HA LEU 7 HA LEU 7 2.115 1.545 5.229
56 HB2 LEU 7 HB2 LEU 7 4.232 1.967 6.277
57 HB3 LEU 7 HB1 LEU 7 3.641 1.418 7.840
58 HG LEU 7 HG LEU 7 3.534 -0.878 7.069
59 HD11 LEU 7 HD11 LEU 7 4.395 -1.363 4.711
60 HD12 LEU 7 HD12 LEU 7 4.170 0.353 4.383
61 HD13 LEU 7 HD13 LEU 7 2.788 -0.650 4.811
62 HD21 LEU 7 HD21 LEU 7 6.096 0.520 6.254
63 HD22 LEU 7 HD22 LEU 7 5.940 -1.227 6.441
64 HD23 LEU 7 HD23 LEU 7 5.722 -0.168 7.834
65 H ALA 8 HN ALA 8 1.549 0.763 8.681
66 HA ALA 8 HA ALA 8 0.791 -1.917 8.390
67 HB1 ALA 8 HB1 ALA 8 -0.162 0.202 10.323
68 HB2 ALA 8 HB2 ALA 8 1.059 -1.042 10.595
69 HB3 ALA 8 HB3 ALA 8 -0.642 -1.490 10.457
70 H ALA 9 HN ALA 9 -1.109 0.988 7.752
71 HA ALA 9 HA ALA 9 -3.644 -0.381 7.525
72 HB1 ALA 9 HB1 ALA 9 -3.283 2.120 7.870
73 HB2 ALA 9 HB2 ALA 9 -4.491 1.681 6.662
74 HB3 ALA 9 HB3 ALA 9 -2.885 2.205 6.154
75 H ALA 10 HN ALA 10 -1.129 0.525 5.180
76 HA ALA 10 HA ALA 10 -2.585 -0.232 2.837
77 HB1 ALA 10 HB1 ALA 10 -0.507 -0.100 1.689
78 HB2 ALA 10 HB2 ALA 10 0.411 -0.473 3.148
79 HB3 ALA 10 HB3 ALA 10 -0.391 1.090 2.985
80 H ARG 11 HN ARG 11 -0.511 -2.098 5.035
81 HA ARG 11 HA ARG 11 -0.422 -4.480 3.459
82 HB2 ARG 11 HB2 ARG 11 -0.175 -3.985 6.430
83 HB3 ARG 11 HB1 ARG 11 -0.029 -5.599 5.735
84 HG2 ARG 11 HG2 ARG 11 1.812 -4.848 4.306
85 HG3 ARG 11 HG1 ARG 11 1.645 -3.206 4.924
86 HD2 ARG 11 HD2 ARG 11 2.150 -4.038 7.210
87 HD3 ARG 11 HD1 ARG 11 2.387 -5.655 6.549
88 HE ARG 11 HE ARG 11 4.106 -4.075 5.059
89 HH11 ARG 11 HH21 ARG 11 3.497 -4.649 8.404
90 HH12 ARG 11 HH22 ARG 11 5.135 -4.360 8.888
91 HH21 ARG 11 HH11 ARG 11 6.248 -3.695 5.672
92 HH22 ARG 11 HH12 ARG 11 6.692 -3.820 7.342
93 H ALA 12 HN ALA 12 -2.724 -3.315 5.897
94 HA ALA 12 HA ALA 12 -4.303 -5.669 6.103
95 HB1 ALA 12 HB1 ALA 12 -6.151 -4.041 6.741
96 HB2 ALA 12 HB2 ALA 12 -5.013 -2.740 6.395
97 HB3 ALA 12 HB3 ALA 12 -4.665 -3.896 7.681
98 H ALA 13 HN ALA 13 -4.288 -3.076 3.704
99 HA ALA 13 HA ALA 13 -6.754 -3.788 2.428
100 HB1 ALA 13 HB1 ALA 13 -6.160 -2.260 0.762
101 HB2 ALA 13 HB2 ALA 13 -4.438 -2.639 0.883
102 HB3 ALA 13 HB3 ALA 13 -5.221 -1.675 2.134
103 H LEU 14 HN LEU 14 -3.388 -4.842 1.872
104 HA LEU 14 HA LEU 14 -3.889 -6.436 -0.433
105 HB2 LEU 14 HB2 LEU 14 -1.611 -6.024 0.142
106 HB3 LEU 14 HB1 LEU 14 -1.826 -6.632 1.776
107 HG LEU 14 HG LEU 14 -2.139 -8.923 0.893
108 HD11 LEU 14 HD11 LEU 14 -3.132 -8.472 -1.268
109 HD12 LEU 14 HD12 LEU 14 -1.598 -9.289 -1.549
110 HD13 LEU 14 HD13 LEU 14 -1.722 -7.546 -1.775
111 HD21 LEU 14 HD21 LEU 14 0.134 -8.079 1.434
112 HD22 LEU 14 HD22 LEU 14 0.321 -7.563 -0.242
113 HD23 LEU 14 HD23 LEU 14 0.158 -9.277 0.141
114 H HIS 15 HN HIS 15 -4.360 -7.094 3.008
115 HA HIS 15 HA HIS 15 -4.984 -9.905 2.604
116 HB2 HIS 15 HB2 HIS 15 -5.416 -8.040 4.942
117 HB3 HIS 15 HB1 HIS 15 -5.784 -9.765 4.979
118 HD1 HIS 15 HD1 HIS 15 -2.933 -7.342 4.960
119 HD2 HIS 15 HD2 HIS 15 -3.483 -11.475 4.938
120 HE1 HIS 15 HE1 HIS 15 -0.671 -8.368 5.453
121 H ASP 16 HN ASP 16 -6.971 -7.040 3.346
122 HA ASP 16 HA ASP 16 -9.388 -8.536 3.239
123 HB2 ASP 16 HB2 ASP 16 -9.110 -6.284 4.324
124 HB3 ASP 16 HB1 ASP 16 -9.092 -5.571 2.712
125 H LEU 17 HN LEU 17 -7.502 -7.027 0.680
126 HA LEU 17 HA LEU 17 -9.711 -7.159 -1.231
127 HB2 LEU 17 HB2 LEU 17 -6.760 -6.575 -1.551
128 HB3 LEU 17 HB1 LEU 17 -7.791 -6.825 -2.950
129 HG LEU 17 HG LEU 17 -8.300 -4.763 -0.790
130 HD11 LEU 17 HD11 LEU 17 -6.358 -4.054 -1.968
131 HD12 LEU 17 HD12 LEU 17 -7.689 -3.192 -2.732
132 HD13 LEU 17 HD13 LEU 17 -6.995 -4.611 -3.513
133 HD21 LEU 17 HD21 LEU 17 -9.749 -3.911 -2.905
134 HD22 LEU 17 HD22 LEU 17 -10.414 -5.033 -1.726
135 HD23 LEU 17 HD23 LEU 17 -9.779 -5.639 -3.255
136 H MET 18 HN MET 18 -7.061 -9.317 -0.319
137 HA MET 18 HA MET 18 -7.897 -11.203 -2.485
138 HB2 MET 18 HB2 MET 18 -5.435 -10.467 -2.082
139 HB3 MET 18 HB1 MET 18 -5.496 -11.557 -0.695
140 HG2 MET 18 HG2 MET 18 -4.635 -12.819 -2.557
141 HG3 MET 18 HG1 MET 18 -6.286 -13.370 -2.287
142 HE1 MET 18 HE1 MET 18 -5.277 -13.264 -6.201
143 HE2 MET 18 HE2 MET 18 -5.570 -14.344 -4.840
144 HE3 MET 18 HE3 MET 18 -4.137 -13.319 -4.849
145 H THR 19 HN THR 19 -8.658 -10.608 0.681
146 HA THR 19 HA THR 19 -8.817 -13.484 1.449
147 HB THR 19 HB THR 19 -9.408 -10.948 3.004
148 HG1 THR 19 HG1 THR 19 -7.432 -12.897 3.497
149 HG21 THR 19 HG21 THR 19 -9.469 -12.615 4.939
150 HG22 THR 19 HG22 THR 19 -9.629 -13.873 3.714
151 HG23 THR 19 HG23 THR 19 -10.863 -12.623 3.861
152 H GLY 20 HN GLY 20 -10.830 -10.855 0.323
153 HA2 GLY 20 HA2 GLY 20 -12.997 -12.470 -0.411
154 HA3 GLY 20 HA1 GLY 20 -13.343 -11.949 1.237
155 H LYS 21 HN LYS 21 -13.347 -9.566 1.624
156 HA LYS 21 HA LYS 21 -15.041 -8.141 -0.063
157 HB2 LYS 21 HB2 LYS 21 -12.810 -6.775 1.449
158 HB3 LYS 21 HB1 LYS 21 -14.435 -6.175 1.131
159 HG2 LYS 21 HG2 LYS 21 -15.278 -8.183 2.493
160 HG3 LYS 21 HG1 LYS 21 -13.606 -8.398 3.005
161 HD2 LYS 21 HD2 LYS 21 -14.270 -6.998 4.718
162 HD3 LYS 21 HD1 LYS 21 -13.861 -5.751 3.545
163 HE2 LYS 21 HE2 LYS 21 -16.602 -6.850 4.211
164 HE3 LYS 21 HE1 LYS 21 -16.032 -5.190 4.371
165 HZ1 LYS 21 HZ1 LYS 21 -17.364 -5.343 2.421
166 HZ2 LYS 21 HZ2 LYS 21 -16.497 -6.689 1.853
167 HZ3 LYS 21 HZ3 LYS 21 -15.753 -5.164 1.924
168 H ARG 22 HN ARG 22 -14.697 -7.923 -2.230
169 HA ARG 22 HA ARG 22 -12.062 -7.702 -3.395
170 HB2 ARG 22 HB2 ARG 22 -14.739 -7.035 -4.651
171 HB3 ARG 22 HB1 ARG 22 -13.236 -7.394 -5.503
172 HG2 ARG 22 HG2 ARG 22 -13.225 -9.665 -4.580
173 HG3 ARG 22 HG1 ARG 22 -14.687 -9.315 -3.658
174 HD2 ARG 22 HD2 ARG 22 -15.207 -10.536 -5.750
175 HD3 ARG 22 HD1 ARG 22 -15.929 -8.927 -5.744
176 HE ARG 22 HE ARG 22 -13.487 -8.548 -6.995
177 HH11 ARG 22 HH21 ARG 22 -16.191 -10.654 -7.369
178 HH12 ARG 22 HH22 ARG 22 -16.001 -10.810 -9.084
179 HH21 ARG 22 HH11 ARG 22 -13.222 -8.740 -9.230
180 HH22 ARG 22 HH12 ARG 22 -14.319 -9.726 -10.137
181 H VAL 23 HN VAL 23 -14.176 -5.415 -1.951
182 HA VAL 23 HA VAL 23 -12.831 -3.133 -3.360
183 HB VAL 23 HB VAL 23 -15.342 -3.162 -1.666
184 HG11 VAL 23 HG11 VAL 23 -14.284 -0.994 -1.573
185 HG12 VAL 23 HG12 VAL 23 -15.624 -0.879 -2.713
186 HG13 VAL 23 HG13 VAL 23 -13.969 -1.018 -3.308
187 HG21 VAL 23 HG21 VAL 23 -14.875 -3.142 -4.660
188 HG22 VAL 23 HG22 VAL 23 -16.418 -2.713 -3.922
189 HG23 VAL 23 HG23 VAL 23 -15.767 -4.340 -3.723
190 H ALA 24 HN ALA 24 -11.878 -1.478 -2.162
191 HA ALA 24 HA ALA 24 -11.775 -1.625 0.779
192 HB1 ALA 24 HB1 ALA 24 -9.333 -2.023 -0.974
193 HB2 ALA 24 HB2 ALA 24 -9.934 -3.102 0.283
194 HB3 ALA 24 HB3 ALA 24 -9.231 -1.546 0.719
195 H THR 25 HN THR 25 -10.982 0.417 1.672
196 HA THR 25 HA THR 25 -10.460 2.581 -0.325
197 HB THR 25 HB THR 25 -12.413 2.989 1.948
198 HG1 THR 25 HG1 THR 25 -13.942 2.807 0.075
199 HG21 THR 25 HG21 THR 25 -11.455 4.990 0.941
200 HG22 THR 25 HG22 THR 25 -13.149 4.844 0.474
201 HG23 THR 25 HG23 THR 25 -11.878 4.413 -0.670
202 H VAL 26 HN VAL 26 -9.038 4.136 0.419
203 HA VAL 26 HA VAL 26 -8.361 4.215 3.321
204 HB VAL 26 HB VAL 26 -5.887 4.365 2.589
205 HG11 VAL 26 HG11 VAL 26 -6.913 2.437 3.799
206 HG12 VAL 26 HG12 VAL 26 -5.619 1.947 2.705
207 HG13 VAL 26 HG13 VAL 26 -7.303 1.709 2.242
208 HG21 VAL 26 HG21 VAL 26 -5.268 3.423 0.506
209 HG22 VAL 26 HG22 VAL 26 -6.578 4.541 0.130
210 HG23 VAL 26 HG23 VAL 26 -6.893 2.807 0.209
211 H GLN 27 HN GLN 27 -6.864 6.181 3.703
212 HA GLN 27 HA GLN 27 -7.813 8.439 1.974
213 HB2 GLN 27 HB2 GLN 27 -7.034 9.760 4.116
214 HB3 GLN 27 HB1 GLN 27 -8.569 8.891 4.147
215 HG2 GLN 27 HG2 GLN 27 -7.583 7.025 5.297
216 HG3 GLN 27 HG1 GLN 27 -5.960 7.682 5.088
217 HE21 GLN 27 HE21 GLN 27 -5.571 9.873 6.191
218 HE22 GLN 27 HE22 GLN 27 -6.379 10.176 7.652
219 H LYS 28 HN LYS 28 -6.209 8.659 0.453
220 HA LYS 28 HA LYS 28 -3.366 8.830 1.411
221 HB2 LYS 28 HB2 LYS 28 -4.072 8.643 -1.509
222 HB3 LYS 28 HB1 LYS 28 -2.666 8.013 -0.650
223 HG2 LYS 28 HG2 LYS 28 -4.289 6.417 0.529
224 HG3 LYS 28 HG1 LYS 28 -5.472 6.897 -0.687
225 HD2 LYS 28 HD2 LYS 28 -2.766 5.631 -1.206
226 HD3 LYS 28 HD1 LYS 28 -4.342 4.877 -1.444
227 HE2 LYS 28 HE2 LYS 28 -4.832 6.850 -3.044
228 HE3 LYS 28 HE1 LYS 28 -3.092 7.136 -3.007
229 HZ1 LYS 28 HZ1 LYS 28 -3.796 4.381 -3.421
230 HZ2 LYS 28 HZ2 LYS 28 -2.704 5.363 -4.275
231 HZ3 LYS 28 HZ3 LYS 28 -4.360 5.403 -4.651
232 H ASP 29 HN ASP 29 -2.551 10.852 1.521
233 HA ASP 29 HA ASP 29 -2.366 13.174 1.218
234 HB2 ASP 29 HB2 ASP 29 -3.314 12.520 -1.590
235 HB3 ASP 29 HB1 ASP 29 -2.364 13.922 -1.092
236 H GLY 30 HN GLY 30 -4.599 12.818 2.596
237 HA2 GLY 30 HA2 GLY 30 -6.782 13.582 3.004
238 HA3 GLY 30 HA1 GLY 30 -6.257 14.991 2.081
239 H ARG 31 HN ARG 31 -6.075 12.174 0.164
240 HA ARG 31 HA ARG 31 -8.728 12.832 -1.097
241 HB2 ARG 31 HB2 ARG 31 -6.091 11.927 -2.270
242 HB3 ARG 31 HB1 ARG 31 -7.605 11.746 -3.155
243 HG2 ARG 31 HG2 ARG 31 -7.995 14.099 -3.164
244 HG3 ARG 31 HG1 ARG 31 -6.718 14.386 -1.980
245 HD2 ARG 31 HD2 ARG 31 -6.027 14.949 -4.320
246 HD3 ARG 31 HD1 ARG 31 -5.017 13.707 -3.581
247 HE ARG 31 HE ARG 31 -6.980 12.263 -4.900
248 HH11 ARG 31 HH21 ARG 31 -4.737 14.755 -5.704
249 HH12 ARG 31 HH22 ARG 31 -4.558 14.245 -7.350
250 HH21 ARG 31 HH11 ARG 31 -6.761 11.585 -7.044
251 HH22 ARG 31 HH12 ARG 31 -5.705 12.450 -8.108
252 H ARG 32 HN ARG 32 -10.121 11.181 -1.527
253 HA ARG 32 HA ARG 32 -9.444 8.512 -0.365
254 HB2 ARG 32 HB2 ARG 32 -11.993 10.043 -0.859
255 HB3 ARG 32 HB1 ARG 32 -12.052 8.287 -0.721
256 HG2 ARG 32 HG2 ARG 32 -11.011 8.380 1.482
257 HG3 ARG 32 HG1 ARG 32 -10.800 10.127 1.340
258 HD2 ARG 32 HD2 ARG 32 -13.285 10.349 1.121
259 HD3 ARG 32 HD1 ARG 32 -13.425 8.620 1.455
260 HE ARG 32 HE ARG 32 -11.927 9.589 3.577
261 HH11 ARG 32 HH21 ARG 32 -14.935 10.358 2.077
262 HH12 ARG 32 HH22 ARG 32 -15.669 10.929 3.538
263 HH21 ARG 32 HH11 ARG 32 -12.869 10.331 5.494
264 HH22 ARG 32 HH12 ARG 32 -14.499 10.915 5.472
265 H VAL 33 HN VAL 33 -9.212 6.793 -1.722
266 HA VAL 33 HA VAL 33 -10.323 6.930 -4.493
267 HB VAL 33 HB VAL 33 -7.480 6.107 -3.806
268 HG11 VAL 33 HG11 VAL 33 -8.383 4.798 -5.652
269 HG12 VAL 33 HG12 VAL 33 -7.286 6.008 -6.317
270 HG13 VAL 33 HG13 VAL 33 -9.029 6.249 -6.416
271 HG21 VAL 33 HG21 VAL 33 -8.674 8.591 -5.067
272 HG22 VAL 33 HG22 VAL 33 -7.009 8.109 -5.393
273 HG23 VAL 33 HG23 VAL 33 -7.508 8.488 -3.748
274 H GLU 34 HN GLU 34 -11.014 4.979 -5.260
275 HA GLU 34 HA GLU 34 -11.124 2.759 -3.283
276 HB2 GLU 34 HB2 GLU 34 -12.564 3.165 -5.923
277 HB3 GLU 34 HB1 GLU 34 -12.850 1.832 -4.805
278 HG2 GLU 34 HG2 GLU 34 -13.504 3.432 -3.050
279 HG3 GLU 34 HG1 GLU 34 -13.215 4.773 -4.161
280 H PHE 35 HN PHE 35 -10.597 0.585 -3.908
281 HA PHE 35 HA PHE 35 -8.924 0.235 -6.369
282 HB2 PHE 35 HB2 PHE 35 -8.147 -0.272 -3.496
283 HB3 PHE 35 HB1 PHE 35 -7.432 -1.220 -4.797
284 HD1 PHE 35 HD1 PHE 35 -6.651 0.282 -6.892
285 HD2 PHE 35 HD2 PHE 35 -6.984 1.657 -2.839
286 HE1 PHE 35 HE1 PHE 35 -5.033 2.094 -7.380
287 HE2 PHE 35 HE2 PHE 35 -5.360 3.470 -3.326
288 HZ PHE 35 HZ PHE 35 -4.390 3.691 -5.595
289 H THR 36 HN THR 36 -9.366 -1.691 -7.357
290 HA THR 36 HA THR 36 -11.035 -3.696 -5.861
291 HB THR 36 HB THR 36 -11.847 -4.289 -8.238
292 HG1 THR 36 HG1 THR 36 -10.494 -1.851 -8.623
293 HG21 THR 36 HG21 THR 36 -13.571 -2.561 -8.162
294 HG22 THR 36 HG22 THR 36 -12.561 -1.568 -7.111
295 HG23 THR 36 HG23 THR 36 -13.204 -3.101 -6.524
296 H ALA 37 HN ALA 37 -10.610 -5.917 -6.359
297 HA ALA 37 HA ALA 37 -7.965 -6.723 -6.455
298 HB1 ALA 37 HB1 ALA 37 -10.316 -8.197 -7.671
299 HB2 ALA 37 HB2 ALA 37 -9.829 -8.256 -5.977
300 HB3 ALA 37 HB3 ALA 37 -8.774 -8.925 -7.221
301 H THR 38 HN THR 38 -9.756 -5.429 -9.127
302 HA THR 38 HA THR 38 -8.285 -6.709 -11.239
303 HB THR 38 HB THR 38 -9.085 -4.584 -12.532
304 HG1 THR 38 HG1 THR 38 -10.681 -3.448 -11.432
305 HG21 THR 38 HG21 THR 38 -10.285 -6.590 -12.883
306 HG22 THR 38 HG22 THR 38 -11.514 -5.440 -12.355
307 HG23 THR 38 HG23 THR 38 -10.876 -6.632 -11.222
308 H SER 39 HN SER 39 -7.528 -4.040 -9.091
309 HA SER 39 HA SER 39 -5.101 -3.422 -10.768
310 HB2 SER 39 HB2 SER 39 -5.080 -1.242 -9.693
311 HB3 SER 39 HB1 SER 39 -6.659 -1.519 -10.417
312 HG SER 39 HG SER 39 -7.081 -2.446 -8.157
313 H VAL 40 HN VAL 40 -5.703 -5.474 -8.467
314 HA VAL 40 HA VAL 40 -4.276 -4.857 -6.147
315 HB VAL 40 HB VAL 40 -5.496 -6.997 -6.560
316 HG11 VAL 40 HG11 VAL 40 -4.394 -8.806 -7.788
317 HG12 VAL 40 HG12 VAL 40 -3.044 -7.745 -8.179
318 HG13 VAL 40 HG13 VAL 40 -4.645 -7.420 -8.846
319 HG21 VAL 40 HG21 VAL 40 -4.061 -8.404 -5.252
320 HG22 VAL 40 HG22 VAL 40 -3.738 -6.750 -4.738
321 HG23 VAL 40 HG23 VAL 40 -2.617 -7.569 -5.824
322 H SER 41 HN SER 41 -3.056 -4.879 -9.324
323 HA SER 41 HA SER 41 -0.297 -5.562 -8.586
324 HB2 SER 41 HB2 SER 41 -1.126 -6.126 -10.821
325 HB3 SER 41 HB1 SER 41 -1.465 -4.428 -11.142
326 HG SER 41 HG SER 41 1.102 -5.327 -10.371
327 H ASP 42 HN ASP 42 -1.933 -2.572 -9.759
328 HA ASP 42 HA ASP 42 0.369 -0.929 -9.422
329 HB2 ASP 42 HB2 ASP 42 -1.105 0.969 -9.603
330 HB3 ASP 42 HB1 ASP 42 -1.692 -0.276 -10.702
331 H LEU 43 HN LEU 43 -1.910 -2.178 -7.079
332 HA LEU 43 HA LEU 43 -1.232 -0.218 -5.036
333 HB2 LEU 43 HB2 LEU 43 -3.352 -1.547 -4.985
334 HB3 LEU 43 HB1 LEU 43 -2.390 -2.996 -4.714
335 HG LEU 43 HG LEU 43 -1.399 -1.591 -2.676
336 HD11 LEU 43 HD11 LEU 43 -2.872 0.407 -3.509
337 HD12 LEU 43 HD12 LEU 43 -2.776 0.069 -1.782
338 HD13 LEU 43 HD13 LEU 43 -4.182 -0.454 -2.706
339 HD21 LEU 43 HD21 LEU 43 -4.181 -2.799 -2.594
340 HD22 LEU 43 HD22 LEU 43 -3.102 -2.580 -1.218
341 HD23 LEU 43 HD23 LEU 43 -2.677 -3.711 -2.500
342 H LYS 44 HN LYS 44 -0.150 -3.534 -5.844
343 HA LYS 44 HA LYS 44 1.594 -3.950 -3.668
344 HB2 LYS 44 HB2 LYS 44 1.564 -4.847 -6.531
345 HB3 LYS 44 HB1 LYS 44 3.051 -5.109 -5.623
346 HG2 LYS 44 HG2 LYS 44 1.890 -6.405 -3.953
347 HG3 LYS 44 HG1 LYS 44 0.323 -5.988 -4.643
348 HD2 LYS 44 HD2 LYS 44 0.706 -7.302 -6.586
349 HD3 LYS 44 HD1 LYS 44 2.434 -7.428 -6.256
350 HE2 LYS 44 HE2 LYS 44 1.006 -9.492 -5.708
351 HE3 LYS 44 HE1 LYS 44 2.085 -8.918 -4.437
352 HZ1 LYS 44 HZ1 LYS 44 0.377 -8.343 -3.143
353 HZ2 LYS 44 HZ2 LYS 44 -0.560 -9.346 -4.144
354 HZ3 LYS 44 HZ3 LYS 44 -0.510 -7.671 -4.422
355 H LYS 45 HN LYS 45 2.056 -1.974 -6.573
356 HA LYS 45 HA LYS 45 4.828 -1.385 -6.111
357 HB2 LYS 45 HB2 LYS 45 3.315 -0.999 -8.224
358 HB3 LYS 45 HB1 LYS 45 2.935 0.543 -7.459
359 HG2 LYS 45 HG2 LYS 45 5.365 1.038 -7.313
360 HG3 LYS 45 HG1 LYS 45 5.703 -0.479 -8.147
361 HD2 LYS 45 HD2 LYS 45 4.154 0.388 -10.008
362 HD3 LYS 45 HD1 LYS 45 4.286 1.963 -9.224
363 HE2 LYS 45 HE2 LYS 45 6.541 0.292 -10.362
364 HE3 LYS 45 HE1 LYS 45 5.987 1.867 -10.932
365 HZ1 LYS 45 HZ1 LYS 45 7.412 2.790 -9.535
366 HZ2 LYS 45 HZ2 LYS 45 7.851 1.277 -8.898
367 HZ3 LYS 45 HZ3 LYS 45 6.547 2.138 -8.230
368 H TYR 46 HN TYR 46 1.826 0.323 -5.237
369 HA TYR 46 HA TYR 46 2.959 2.605 -4.017
370 HB2 TYR 46 HB2 TYR 46 0.575 2.440 -4.413
371 HB3 TYR 46 HB1 TYR 46 0.455 1.042 -3.351
372 HD1 TYR 46 HD2 TYR 46 1.908 4.509 -3.154
373 HD2 TYR 46 HD1 TYR 46 -0.506 1.494 -1.268
374 HE1 TYR 46 HE2 TYR 46 1.509 6.026 -1.236
375 HE2 TYR 46 HE1 TYR 46 -0.915 3.019 0.646
376 HH TYR 46 HH TYR 46 -0.731 5.991 0.696
377 H ILE 47 HN ILE 47 2.682 -0.695 -2.855
378 HA ILE 47 HA ILE 47 3.376 -0.014 -0.100
379 HB ILE 47 HB ILE 47 3.226 -2.651 -1.585
380 HG12 ILE 47 HG12 ILE 47 1.506 -1.552 0.656
381 HG13 ILE 47 HG11 ILE 47 1.102 -1.352 -1.048
382 HG21 ILE 47 HG21 ILE 47 4.843 -3.009 0.134
383 HG22 ILE 47 HG22 ILE 47 3.320 -3.595 0.801
384 HG23 ILE 47 HG23 ILE 47 3.946 -2.020 1.285
385 HD11 ILE 47 HD11 ILE 47 1.483 -3.992 0.395
386 HD12 ILE 47 HD12 ILE 47 1.144 -3.819 -1.327
387 HD13 ILE 47 HD13 ILE 47 -0.055 -3.313 -0.137
388 H ALA 48 HN ALA 48 5.075 -1.090 -2.995
389 HA ALA 48 HA ALA 48 7.590 -1.587 -1.641
390 HB1 ALA 48 HB1 ALA 48 7.027 -1.033 -4.568
391 HB2 ALA 48 HB2 ALA 48 7.043 -2.627 -3.812
392 HB3 ALA 48 HB3 ALA 48 8.531 -1.684 -3.916
393 H GLU 49 HN GLU 49 6.175 1.189 -3.343
394 HA GLU 49 HA GLU 49 8.575 2.768 -3.343
395 HB2 GLU 49 HB2 GLU 49 5.665 3.593 -3.489
396 HB3 GLU 49 HB1 GLU 49 7.023 4.685 -3.756
397 HG2 GLU 49 HG2 GLU 49 7.805 3.290 -5.618
398 HG3 GLU 49 HG1 GLU 49 6.485 2.155 -5.337
399 H LEU 50 HN LEU 50 5.967 2.382 -0.954
400 HA LEU 50 HA LEU 50 6.911 4.614 0.660
401 HB2 LEU 50 HB2 LEU 50 5.070 2.297 1.350
402 HB3 LEU 50 HB1 LEU 50 5.541 3.520 2.521
403 HG LEU 50 HG LEU 50 4.158 4.106 -0.117
404 HD11 LEU 50 HD11 LEU 50 2.286 4.784 1.579
405 HD12 LEU 50 HD12 LEU 50 3.147 3.737 2.708
406 HD13 LEU 50 HD13 LEU 50 2.501 3.077 1.207
407 HD21 LEU 50 HD21 LEU 50 5.197 6.130 0.351
408 HD22 LEU 50 HD22 LEU 50 5.288 5.813 2.083
409 HD23 LEU 50 HD23 LEU 50 3.768 6.331 1.358
410 H GLU 51 HN GLU 51 7.695 1.177 0.512
411 HA GLU 51 HA GLU 51 9.129 1.126 3.008
412 HB2 GLU 51 HB2 GLU 51 9.247 -0.618 0.540
413 HB3 GLU 51 HB1 GLU 51 10.322 -0.881 1.911
414 HG2 GLU 51 HG2 GLU 51 7.313 -0.727 2.167
415 HG3 GLU 51 HG1 GLU 51 8.190 -2.242 1.954
416 H VAL 52 HN VAL 52 9.974 2.196 -0.238
417 HA VAL 52 HA VAL 52 12.837 2.344 0.381
418 HB VAL 52 HB VAL 52 11.202 3.398 -1.947
419 HG11 VAL 52 HG11 VAL 52 13.520 3.608 -3.010
420 HG12 VAL 52 HG12 VAL 52 14.172 3.467 -1.377
421 HG13 VAL 52 HG13 VAL 52 13.117 4.818 -1.791
422 HG21 VAL 52 HG21 VAL 52 11.290 1.014 -2.033
423 HG22 VAL 52 HG22 VAL 52 12.975 0.983 -1.516
424 HG23 VAL 52 HG23 VAL 52 12.557 1.564 -3.127
425 H GLN 53 HN GLN 53 10.062 4.394 0.768
426 HA GLN 53 HA GLN 53 11.734 6.833 1.026
427 HB2 GLN 53 HB2 GLN 53 8.740 6.372 1.249
428 HB3 GLN 53 HB1 GLN 53 9.518 7.938 1.487
429 HG2 GLN 53 HG2 GLN 53 9.848 6.284 -1.027
430 HG3 GLN 53 HG1 GLN 53 8.635 7.552 -0.851
431 HE21 GLN 53 HE21 GLN 53 9.504 9.793 -0.341
432 HE22 GLN 53 HE22 GLN 53 11.045 10.215 -0.915
433 H THR 54 HN THR 54 10.746 4.253 2.932
434 HA THR 54 HA THR 54 11.134 5.841 5.449
435 HB THR 54 HB THR 54 8.948 4.114 4.598
436 HG1 THR 54 HG1 THR 54 7.991 5.487 5.838
437 HG21 THR 54 HG21 THR 54 8.686 2.896 6.766
438 HG22 THR 54 HG22 THR 54 10.323 3.382 7.205
439 HG23 THR 54 HG23 THR 54 10.058 2.319 5.821
440 H GLY 55 HN GLY 55 11.902 2.984 3.578
441 HA2 GLY 55 HA2 GLY 55 13.199 1.450 5.590
442 HA3 GLY 55 HA1 GLY 55 13.583 1.375 3.867
443 H MET 56 HN MET 56 15.731 1.133 5.570
444 HA MET 56 HA MET 56 16.932 3.817 5.938
445 HB2 MET 56 HB2 MET 56 18.016 1.048 6.550
446 HB3 MET 56 HB1 MET 56 18.778 2.572 7.005
447 HG2 MET 56 HG2 MET 56 17.577 1.876 8.939
448 HG3 MET 56 HG1 MET 56 16.584 3.136 8.205
449 HE1 MET 56 HE1 MET 56 16.013 -1.381 8.186
450 HE2 MET 56 HE2 MET 56 16.399 -0.493 9.658
451 HE3 MET 56 HE3 MET 56 17.509 -0.443 8.291
452 H THR 57 HN THR 57 16.386 2.631 3.228
453 HA THR 57 HA THR 57 19.064 2.026 2.160
454 HB THR 57 HB THR 57 16.963 0.965 1.243
455 HG1 THR 57 HG1 THR 57 18.332 0.771 -0.317
456 HG21 THR 57 HG21 THR 57 16.392 3.402 -0.379
457 HG22 THR 57 HG22 THR 57 15.870 3.471 1.308
458 HG23 THR 57 HG23 THR 57 15.279 2.188 0.253
459 H GLN 58 HN GLN 58 18.191 3.562 -0.334
460 HA GLN 58 HA GLN 58 18.413 5.685 -1.254
461 HB2 GLN 58 HB2 GLN 58 17.145 6.300 1.003
462 HB3 GLN 58 HB1 GLN 58 18.708 6.977 1.453
463 HG2 GLN 58 HG2 GLN 58 18.700 8.290 -0.679
464 HG3 GLN 58 HG1 GLN 58 17.071 7.693 -0.997
465 HE21 GLN 58 HE21 GLN 58 16.624 10.169 -0.865
466 HE22 GLN 58 HE22 GLN 58 16.285 10.802 0.673
467 H ARG 59 HN ARG 59 20.339 5.842 1.767
468 HA ARG 59 HA ARG 59 22.624 6.282 2.065
469 HB2 ARG 59 HB2 ARG 59 22.567 3.999 0.832
470 HB3 ARG 59 HB1 ARG 59 23.039 4.915 -0.597
471 HG2 ARG 59 HG2 ARG 59 25.138 4.343 0.231
472 HG3 ARG 59 HG1 ARG 59 24.904 5.896 1.029
473 HD2 ARG 59 HD2 ARG 59 24.005 4.685 3.027
474 HD3 ARG 59 HD1 ARG 59 24.366 3.158 2.224
475 HE ARG 59 HE ARG 59 26.780 4.519 2.172
476 HH11 ARG 59 HH21 ARG 59 24.444 3.651 4.555
477 HH12 ARG 59 HH22 ARG 59 25.604 3.516 5.835
478 HH21 ARG 59 HH11 ARG 59 28.307 4.350 3.830
479 HH22 ARG 59 HH12 ARG 59 27.791 3.912 5.423
480 H ARG 60 HN ARG 60 21.290 8.451 1.034
481 HA ARG 60 HA ARG 60 22.479 9.431 -1.419
482 HB2 ARG 60 HB2 ARG 60 21.559 11.663 -0.599
483 HB3 ARG 60 HB1 ARG 60 20.369 10.375 -0.796
484 HG2 ARG 60 HG2 ARG 60 20.422 9.896 1.590
485 HG3 ARG 60 HG1 ARG 60 21.711 11.071 1.833
486 HD2 ARG 60 HD2 ARG 60 19.766 12.597 0.567
487 HD3 ARG 60 HD1 ARG 60 18.797 11.517 1.564
488 HE ARG 60 HE ARG 60 20.146 13.781 2.526
489 HH11 ARG 60 HH21 ARG 60 20.088 10.391 3.195
490 HH12 ARG 60 HH22 ARG 60 20.667 10.576 4.813
491 HH21 ARG 60 HH11 ARG 60 20.882 14.026 4.632
492 HH22 ARG 60 HH12 ARG 60 21.109 12.627 5.628
493 H ARG 61 HN ARG 61 23.830 8.889 1.555
494 HA ARG 61 HA ARG 61 25.740 9.723 2.647
495 HB2 ARG 61 HB2 ARG 61 26.379 10.436 -0.232
496 HB3 ARG 61 HB1 ARG 61 27.553 10.446 1.082
497 HG2 ARG 61 HG2 ARG 61 25.926 7.958 0.565
498 HG3 ARG 61 HG1 ARG 61 27.325 8.307 -0.450
499 HD2 ARG 61 HD2 ARG 61 28.728 8.495 1.607
500 HD3 ARG 61 HD1 ARG 61 27.329 8.026 2.572
501 HE ARG 61 HE ARG 61 27.544 5.993 0.709
502 HH11 ARG 61 HH21 ARG 61 29.644 7.548 2.958
503 HH12 ARG 61 HH22 ARG 61 30.604 6.134 3.243
504 HH21 ARG 61 HH11 ARG 61 28.785 4.137 1.069
505 HH22 ARG 61 HH12 ARG 61 30.117 4.204 2.174
506 H GLY 62 HN GLY 62 23.407 11.670 1.683
507 HA2 GLY 62 HA2 GLY 62 24.315 13.950 3.134
508 HA3 GLY 62 HA1 GLY 62 24.530 14.265 1.411
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 9.222 12.282 8.360
2 H2 MET 1 HT2 MET 1 8.209 11.064 8.974
3 H3 MET 1 HT3 MET 1 7.893 11.749 7.453
4 HA MET 1 HA MET 1 9.264 10.368 6.417
5 HB2 MET 1 HB2 MET 1 11.089 11.862 7.523
6 HB3 MET 1 HB1 MET 1 11.298 10.519 8.646
7 HG2 MET 1 HG2 MET 1 11.765 8.998 6.781
8 HG3 MET 1 HG1 MET 1 11.472 10.296 5.624
9 HE1 MET 1 HE1 MET 1 13.906 8.469 5.722
10 HE2 MET 1 HE2 MET 1 15.324 9.505 5.582
11 HE3 MET 1 HE3 MET 1 13.928 9.792 4.547
12 H VAL 2 HN VAL 2 7.310 9.514 8.430
13 HA VAL 2 HA VAL 2 8.356 6.761 8.860
14 HB VAL 2 HB VAL 2 7.184 6.880 11.187
15 HG11 VAL 2 HG11 VAL 2 9.575 6.594 11.023
16 HG12 VAL 2 HG12 VAL 2 9.273 7.862 12.211
17 HG13 VAL 2 HG13 VAL 2 9.799 8.287 10.583
18 HG21 VAL 2 HG21 VAL 2 7.169 9.105 12.213
19 HG22 VAL 2 HG22 VAL 2 6.144 9.117 10.780
20 HG23 VAL 2 HG23 VAL 2 7.758 9.826 10.717
21 H ARG 3 HN ARG 3 6.853 6.284 7.074
22 HA ARG 3 HA ARG 3 4.019 6.877 7.387
23 HB2 ARG 3 HB2 ARG 3 5.671 5.195 5.508
24 HB3 ARG 3 HB1 ARG 3 3.918 5.013 5.518
25 HG2 ARG 3 HG2 ARG 3 4.681 6.677 3.833
26 HG3 ARG 3 HG1 ARG 3 3.635 7.399 5.055
27 HD2 ARG 3 HD2 ARG 3 5.499 8.366 6.207
28 HD3 ARG 3 HD1 ARG 3 6.654 7.426 5.261
29 HE ARG 3 HE ARG 3 5.295 8.900 3.353
30 HH11 ARG 3 HH21 ARG 3 6.962 9.564 6.297
31 HH12 ARG 3 HH22 ARG 3 7.486 11.138 5.801
32 HH21 ARG 3 HH11 ARG 3 5.970 10.953 2.689
33 HH22 ARG 3 HH12 ARG 3 6.924 11.924 3.758
34 H GLN 4 HN GLN 4 5.823 5.072 9.296
35 HA GLN 4 HA GLN 4 5.018 2.461 9.465
36 HB2 GLN 4 HB2 GLN 4 5.043 4.391 11.799
37 HB3 GLN 4 HB1 GLN 4 5.179 2.635 11.908
38 HG2 GLN 4 HG2 GLN 4 7.236 2.750 10.495
39 HG3 GLN 4 HG1 GLN 4 7.125 4.509 10.530
40 HE21 GLN 4 HE21 GLN 4 6.015 4.204 13.427
41 HE22 GLN 4 HE22 GLN 4 7.415 3.979 14.360
42 H GLU 5 HN GLU 5 2.928 5.251 10.168
43 HA GLU 5 HA GLU 5 0.781 3.589 11.282
44 HB2 GLU 5 HB2 GLU 5 0.915 6.448 10.284
45 HB3 GLU 5 HB1 GLU 5 -0.580 5.719 10.875
46 HG2 GLU 5 HG2 GLU 5 0.501 6.899 12.712
47 HG3 GLU 5 HG1 GLU 5 0.593 5.164 13.015
48 H GLU 6 HN GLU 6 0.477 5.714 8.439
49 HA GLU 6 HA GLU 6 -1.605 4.323 7.211
50 HB2 GLU 6 HB2 GLU 6 -1.081 5.489 5.191
51 HB3 GLU 6 HB1 GLU 6 -0.621 6.556 6.513
52 HG2 GLU 6 HG2 GLU 6 1.261 6.686 5.132
53 HG3 GLU 6 HG1 GLU 6 1.741 5.422 6.260
54 H LEU 7 HN LEU 7 1.883 3.656 6.920
55 HA LEU 7 HA LEU 7 1.851 1.721 4.872
56 HB2 LEU 7 HB2 LEU 7 3.845 2.631 6.226
57 HB3 LEU 7 HB1 LEU 7 3.456 1.400 7.421
58 HG LEU 7 HG LEU 7 4.003 0.826 4.493
59 HD11 LEU 7 HD11 LEU 7 6.053 1.644 5.342
60 HD12 LEU 7 HD12 LEU 7 6.190 -0.105 5.514
61 HD13 LEU 7 HD13 LEU 7 5.806 0.889 6.917
62 HD21 LEU 7 HD21 LEU 7 3.352 -0.857 6.894
63 HD22 LEU 7 HD22 LEU 7 4.532 -1.495 5.750
64 HD23 LEU 7 HD23 LEU 7 2.916 -1.084 5.202
65 H ALA 8 HN ALA 8 1.321 1.232 8.374
66 HA ALA 8 HA ALA 8 0.850 -1.547 8.321
67 HB1 ALA 8 HB1 ALA 8 -0.319 0.605 10.097
68 HB2 ALA 8 HB2 ALA 8 1.090 -0.404 10.426
69 HB3 ALA 8 HB3 ALA 8 -0.520 -1.122 10.394
70 H ALA 9 HN ALA 9 -1.390 1.127 7.653
71 HA ALA 9 HA ALA 9 -3.719 -0.599 7.487
72 HB1 ALA 9 HB1 ALA 9 -3.671 1.918 7.978
73 HB2 ALA 9 HB2 ALA 9 -4.914 1.351 6.864
74 HB3 ALA 9 HB3 ALA 9 -3.463 2.138 6.241
75 H ALA 10 HN ALA 10 -1.404 0.671 5.123
76 HA ALA 10 HA ALA 10 -2.877 0.032 2.769
77 HB1 ALA 10 HB1 ALA 10 0.132 -0.086 3.075
78 HB2 ALA 10 HB2 ALA 10 -0.770 1.416 2.884
79 HB3 ALA 10 HB3 ALA 10 -0.779 0.213 1.595
80 H ARG 11 HN ARG 11 -0.427 -1.917 4.508
81 HA ARG 11 HA ARG 11 -0.627 -4.152 2.757
82 HB2 ARG 11 HB2 ARG 11 0.667 -5.354 4.329
83 HB3 ARG 11 HB1 ARG 11 1.175 -3.678 4.540
84 HG2 ARG 11 HG2 ARG 11 -0.737 -3.637 6.354
85 HG3 ARG 11 HG1 ARG 11 -0.535 -5.385 6.332
86 HD2 ARG 11 HD2 ARG 11 1.859 -5.132 6.830
87 HD3 ARG 11 HD1 ARG 11 1.690 -3.376 6.810
88 HE ARG 11 HE ARG 11 -0.162 -4.196 8.701
89 HH11 ARG 11 HH21 ARG 11 3.196 -4.700 8.105
90 HH12 ARG 11 HH22 ARG 11 3.603 -4.875 9.779
91 HH21 ARG 11 HH11 ARG 11 0.350 -4.422 10.890
92 HH22 ARG 11 HH12 ARG 11 1.991 -4.718 11.356
93 H ALA 12 HN ALA 12 -2.451 -3.193 5.632
94 HA ALA 12 HA ALA 12 -3.918 -5.583 6.050
95 HB1 ALA 12 HB1 ALA 12 -5.623 -4.168 7.086
96 HB2 ALA 12 HB2 ALA 12 -4.966 -2.742 6.283
97 HB3 ALA 12 HB3 ALA 12 -4.027 -3.564 7.529
98 H ALA 13 HN ALA 13 -4.168 -3.093 3.601
99 HA ALA 13 HA ALA 13 -6.750 -3.830 2.561
100 HB1 ALA 13 HB1 ALA 13 -6.238 -2.408 0.742
101 HB2 ALA 13 HB2 ALA 13 -4.503 -2.689 0.894
102 HB3 ALA 13 HB3 ALA 13 -5.345 -1.703 2.089
103 H LEU 14 HN LEU 14 -3.411 -4.806 1.726
104 HA LEU 14 HA LEU 14 -3.977 -6.464 -0.481
105 HB2 LEU 14 HB2 LEU 14 -1.681 -6.111 0.092
106 HB3 LEU 14 HB1 LEU 14 -1.913 -6.728 1.721
107 HG LEU 14 HG LEU 14 -2.296 -8.997 0.818
108 HD11 LEU 14 HD11 LEU 14 -1.760 -9.349 -1.630
109 HD12 LEU 14 HD12 LEU 14 -1.857 -7.602 -1.834
110 HD13 LEU 14 HD13 LEU 14 -3.279 -8.511 -1.331
111 HD21 LEU 14 HD21 LEU 14 -0.010 -8.335 1.380
112 HD22 LEU 14 HD22 LEU 14 0.202 -7.634 -0.224
113 HD23 LEU 14 HD23 LEU 14 0.001 -9.377 -0.042
114 H HIS 15 HN HIS 15 -4.462 -7.067 2.963
115 HA HIS 15 HA HIS 15 -5.120 -9.874 2.604
116 HB2 HIS 15 HB2 HIS 15 -4.243 -8.912 4.742
117 HB3 HIS 15 HB1 HIS 15 -5.780 -8.069 4.936
118 HD1 HIS 15 HD1 HIS 15 -7.518 -9.334 6.193
119 HD2 HIS 15 HD2 HIS 15 -4.723 -11.893 4.454
120 HE1 HIS 15 HE1 HIS 15 -8.137 -11.677 6.928
121 H ASP 16 HN ASP 16 -7.105 -6.997 3.316
122 HA ASP 16 HA ASP 16 -9.524 -8.475 3.211
123 HB2 ASP 16 HB2 ASP 16 -9.274 -6.209 4.244
124 HB3 ASP 16 HB1 ASP 16 -9.189 -5.526 2.620
125 H LEU 17 HN LEU 17 -7.624 -7.033 0.622
126 HA LEU 17 HA LEU 17 -9.823 -7.219 -1.293
127 HB2 LEU 17 HB2 LEU 17 -6.869 -6.654 -1.633
128 HB3 LEU 17 HB1 LEU 17 -7.928 -6.891 -3.013
129 HG LEU 17 HG LEU 17 -8.374 -4.824 -0.844
130 HD11 LEU 17 HD11 LEU 17 -6.451 -4.118 -2.044
131 HD12 LEU 17 HD12 LEU 17 -7.786 -3.258 -2.805
132 HD13 LEU 17 HD13 LEU 17 -7.101 -4.685 -3.582
133 HD21 LEU 17 HD21 LEU 17 -9.905 -5.675 -3.286
134 HD22 LEU 17 HD22 LEU 17 -9.852 -3.952 -2.926
135 HD23 LEU 17 HD23 LEU 17 -10.506 -5.074 -1.741
136 H MET 18 HN MET 18 -7.159 -9.346 -0.336
137 HA MET 18 HA MET 18 -8.004 -11.286 -2.453
138 HB2 MET 18 HB2 MET 18 -5.553 -10.513 -2.141
139 HB3 MET 18 HB1 MET 18 -5.559 -11.545 -0.708
140 HG2 MET 18 HG2 MET 18 -4.722 -12.868 -2.537
141 HG3 MET 18 HG1 MET 18 -6.355 -13.436 -2.202
142 HE1 MET 18 HE1 MET 18 -5.062 -14.270 -4.641
143 HE2 MET 18 HE2 MET 18 -4.057 -12.865 -4.985
144 HE3 MET 18 HE3 MET 18 -5.289 -13.362 -6.142
145 H THR 19 HN THR 19 -8.558 -10.663 0.804
146 HA THR 19 HA THR 19 -8.681 -13.527 1.572
147 HB THR 19 HB THR 19 -9.379 -11.024 3.133
148 HG1 THR 19 HG1 THR 19 -7.073 -12.225 2.529
149 HG21 THR 19 HG21 THR 19 -9.240 -12.679 5.063
150 HG22 THR 19 HG22 THR 19 -9.312 -13.954 3.847
151 HG23 THR 19 HG23 THR 19 -10.655 -12.826 4.021
152 H GLY 20 HN GLY 20 -10.805 -10.989 0.457
153 HA2 GLY 20 HA2 GLY 20 -12.942 -12.729 -0.142
154 HA3 GLY 20 HA1 GLY 20 -13.267 -12.078 1.465
155 H LYS 21 HN LYS 21 -13.339 -9.682 1.657
156 HA LYS 21 HA LYS 21 -15.074 -8.432 -0.123
157 HB2 LYS 21 HB2 LYS 21 -12.861 -6.931 1.294
158 HB3 LYS 21 HB1 LYS 21 -14.478 -6.351 0.891
159 HG2 LYS 21 HG2 LYS 21 -15.362 -8.232 2.391
160 HG3 LYS 21 HG1 LYS 21 -13.704 -8.406 2.968
161 HD2 LYS 21 HD2 LYS 21 -13.702 -5.987 3.582
162 HD3 LYS 21 HD1 LYS 21 -15.398 -5.895 3.104
163 HE2 LYS 21 HE2 LYS 21 -14.233 -7.628 5.301
164 HE3 LYS 21 HE1 LYS 21 -15.285 -6.227 5.511
165 HZ1 LYS 21 HZ1 LYS 21 -16.013 -8.738 4.100
166 HZ2 LYS 21 HZ2 LYS 21 -17.025 -7.390 4.314
167 HZ3 LYS 21 HZ3 LYS 21 -16.521 -8.299 5.658
168 H ARG 22 HN ARG 22 -14.873 -7.520 -2.134
169 HA ARG 22 HA ARG 22 -12.228 -7.704 -3.461
170 HB2 ARG 22 HB2 ARG 22 -14.941 -6.977 -4.602
171 HB3 ARG 22 HB1 ARG 22 -13.484 -7.328 -5.528
172 HG2 ARG 22 HG2 ARG 22 -14.820 -9.283 -3.632
173 HG3 ARG 22 HG1 ARG 22 -15.052 -9.278 -5.378
174 HD2 ARG 22 HD2 ARG 22 -13.344 -10.850 -5.170
175 HD3 ARG 22 HD1 ARG 22 -12.397 -9.384 -5.415
176 HE ARG 22 HE ARG 22 -12.706 -9.532 -2.661
177 HH11 ARG 22 HH21 ARG 22 -11.600 -11.608 -5.182
178 HH12 ARG 22 HH22 ARG 22 -10.467 -12.447 -4.176
179 HH21 ARG 22 HH11 ARG 22 -11.233 -10.615 -1.333
180 HH22 ARG 22 HH12 ARG 22 -10.259 -11.884 -1.996
181 H VAL 23 HN VAL 23 -14.216 -5.342 -1.964
182 HA VAL 23 HA VAL 23 -12.800 -3.116 -3.398
183 HB VAL 23 HB VAL 23 -15.342 -3.056 -1.750
184 HG11 VAL 23 HG11 VAL 23 -14.197 -0.923 -1.648
185 HG12 VAL 23 HG12 VAL 23 -15.538 -0.768 -2.783
186 HG13 VAL 23 HG13 VAL 23 -13.892 -0.956 -3.384
187 HG21 VAL 23 HG21 VAL 23 -14.796 -3.114 -4.725
188 HG22 VAL 23 HG22 VAL 23 -16.325 -2.537 -4.060
189 HG23 VAL 23 HG23 VAL 23 -15.819 -4.206 -3.789
190 H ALA 24 HN ALA 24 -11.833 -1.470 -2.184
191 HA ALA 24 HA ALA 24 -11.771 -1.630 0.758
192 HB1 ALA 24 HB1 ALA 24 -9.948 -3.143 0.242
193 HB2 ALA 24 HB2 ALA 24 -9.238 -1.613 0.755
194 HB3 ALA 24 HB3 ALA 24 -9.299 -2.027 -0.958
195 H THR 25 HN THR 25 -10.956 0.384 1.671
196 HA THR 25 HA THR 25 -10.418 2.571 -0.306
197 HB THR 25 HB THR 25 -11.965 4.026 1.081
198 HG1 THR 25 HG1 THR 25 -12.014 1.828 2.539
199 HG21 THR 25 HG21 THR 25 -12.570 2.982 -1.132
200 HG22 THR 25 HG22 THR 25 -13.950 3.296 -0.080
201 HG23 THR 25 HG23 THR 25 -13.314 1.657 -0.236
202 H VAL 26 HN VAL 26 -9.087 4.232 0.517
203 HA VAL 26 HA VAL 26 -8.301 4.130 3.382
204 HB VAL 26 HB VAL 26 -5.850 4.365 2.627
205 HG11 VAL 26 HG11 VAL 26 -6.854 2.322 3.682
206 HG12 VAL 26 HG12 VAL 26 -5.534 1.961 2.571
207 HG13 VAL 26 HG13 VAL 26 -7.205 1.712 2.066
208 HG21 VAL 26 HG21 VAL 26 -5.250 3.538 0.474
209 HG22 VAL 26 HG22 VAL 26 -6.515 4.737 0.212
210 HG23 VAL 26 HG23 VAL 26 -6.900 3.017 0.139
211 H GLN 27 HN GLN 27 -6.659 6.094 3.705
212 HA GLN 27 HA GLN 27 -7.746 8.425 2.143
213 HB2 GLN 27 HB2 GLN 27 -6.919 8.280 5.063
214 HB3 GLN 27 HB1 GLN 27 -7.465 9.736 4.230
215 HG2 GLN 27 HG2 GLN 27 -9.633 8.678 3.763
216 HG3 GLN 27 HG1 GLN 27 -9.091 7.196 4.553
217 HE21 GLN 27 HE21 GLN 27 -9.269 10.727 5.326
218 HE22 GLN 27 HE22 GLN 27 -9.777 10.494 6.929
219 H LYS 28 HN LYS 28 -6.082 8.836 0.733
220 HA LYS 28 HA LYS 28 -3.293 8.994 1.830
221 HB2 LYS 28 HB2 LYS 28 -3.959 9.208 -1.110
222 HB3 LYS 28 HB1 LYS 28 -2.478 8.641 -0.337
223 HG2 LYS 28 HG2 LYS 28 -3.823 6.692 0.578
224 HG3 LYS 28 HG1 LYS 28 -5.136 7.203 -0.483
225 HD2 LYS 28 HD2 LYS 28 -3.762 6.895 -2.448
226 HD3 LYS 28 HD1 LYS 28 -2.331 6.602 -1.461
227 HE2 LYS 28 HE2 LYS 28 -4.815 4.866 -1.409
228 HE3 LYS 28 HE1 LYS 28 -3.367 4.500 -2.347
229 HZ1 LYS 28 HZ1 LYS 28 -2.190 4.830 -0.083
230 HZ2 LYS 28 HZ2 LYS 28 -2.981 3.362 -0.407
231 HZ3 LYS 28 HZ3 LYS 28 -3.727 4.534 0.571
232 H ASP 29 HN ASP 29 -2.888 11.019 2.565
233 HA ASP 29 HA ASP 29 -2.843 13.367 2.655
234 HB2 ASP 29 HB2 ASP 29 -2.955 13.118 -0.367
235 HB3 ASP 29 HB1 ASP 29 -2.298 14.467 0.563
236 H GLY 30 HN GLY 30 -5.379 12.575 3.217
237 HA2 GLY 30 HA2 GLY 30 -7.572 13.378 3.260
238 HA3 GLY 30 HA1 GLY 30 -6.969 14.810 2.429
239 H ARG 31 HN ARG 31 -6.034 12.472 0.345
240 HA ARG 31 HA ARG 31 -8.440 12.891 -1.325
241 HB2 ARG 31 HB2 ARG 31 -5.827 11.477 -1.942
242 HB3 ARG 31 HB1 ARG 31 -7.107 11.816 -3.104
243 HG2 ARG 31 HG2 ARG 31 -6.814 14.187 -2.866
244 HG3 ARG 31 HG1 ARG 31 -5.733 13.973 -1.489
245 HD2 ARG 31 HD2 ARG 31 -4.491 14.462 -3.592
246 HD3 ARG 31 HD1 ARG 31 -4.072 12.886 -2.919
247 HE ARG 31 HE ARG 31 -6.124 12.320 -4.690
248 HH11 ARG 31 HH21 ARG 31 -3.111 13.992 -4.806
249 HH12 ARG 31 HH22 ARG 31 -2.815 13.615 -6.470
250 HH21 ARG 31 HH11 ARG 31 -5.756 11.819 -6.862
251 HH22 ARG 31 HH12 ARG 31 -4.312 12.385 -7.634
252 H ARG 32 HN ARG 32 -9.989 11.379 -1.629
253 HA ARG 32 HA ARG 32 -9.636 8.711 -0.348
254 HB2 ARG 32 HB2 ARG 32 -11.708 10.419 -0.145
255 HB3 ARG 32 HB1 ARG 32 -12.230 9.583 -1.603
256 HG2 ARG 32 HG2 ARG 32 -13.196 8.239 0.041
257 HG3 ARG 32 HG1 ARG 32 -11.664 7.405 -0.207
258 HD2 ARG 32 HD2 ARG 32 -11.820 7.605 2.142
259 HD3 ARG 32 HD1 ARG 32 -10.759 8.938 1.684
260 HE ARG 32 HE ARG 32 -13.290 10.062 1.633
261 HH11 ARG 32 HH21 ARG 32 -11.402 8.251 3.878
262 HH12 ARG 32 HH22 ARG 32 -12.105 8.996 5.275
263 HH21 ARG 32 HH11 ARG 32 -14.219 11.046 3.443
264 HH22 ARG 32 HH12 ARG 32 -13.700 10.579 5.028
265 H VAL 33 HN VAL 33 -9.252 6.941 -1.645
266 HA VAL 33 HA VAL 33 -10.136 7.017 -4.502
267 HB VAL 33 HB VAL 33 -7.357 6.144 -3.650
268 HG11 VAL 33 HG11 VAL 33 -8.269 4.976 -5.615
269 HG12 VAL 33 HG12 VAL 33 -6.984 6.080 -6.104
270 HG13 VAL 33 HG13 VAL 33 -8.671 6.522 -6.361
271 HG21 VAL 33 HG21 VAL 33 -8.401 8.737 -4.807
272 HG22 VAL 33 HG22 VAL 33 -6.750 8.210 -5.129
273 HG23 VAL 33 HG23 VAL 33 -7.269 8.506 -3.473
274 H GLU 34 HN GLU 34 -10.776 5.057 -5.278
275 HA GLU 34 HA GLU 34 -10.979 2.860 -3.272
276 HB2 GLU 34 HB2 GLU 34 -12.343 2.812 -5.959
277 HB3 GLU 34 HB1 GLU 34 -12.880 2.140 -4.420
278 HG2 GLU 34 HG2 GLU 34 -14.252 4.037 -4.703
279 HG3 GLU 34 HG1 GLU 34 -12.991 4.601 -3.609
280 H PHE 35 HN PHE 35 -10.545 0.655 -3.942
281 HA PHE 35 HA PHE 35 -8.807 0.287 -6.348
282 HB2 PHE 35 HB2 PHE 35 -8.093 -0.227 -3.460
283 HB3 PHE 35 HB1 PHE 35 -7.375 -1.203 -4.741
284 HD1 PHE 35 HD1 PHE 35 -6.515 0.245 -6.827
285 HD2 PHE 35 HD2 PHE 35 -6.918 1.699 -2.810
286 HE1 PHE 35 HE1 PHE 35 -4.856 2.020 -7.310
287 HE2 PHE 35 HE2 PHE 35 -5.252 3.477 -3.291
288 HZ PHE 35 HZ PHE 35 -4.225 3.639 -5.540
289 H THR 36 HN THR 36 -9.263 -1.621 -7.355
290 HA THR 36 HA THR 36 -10.982 -3.616 -5.900
291 HB THR 36 HB THR 36 -11.781 -4.170 -8.289
292 HG1 THR 36 HG1 THR 36 -10.627 -1.608 -8.672
293 HG21 THR 36 HG21 THR 36 -13.479 -2.418 -8.212
294 HG22 THR 36 HG22 THR 36 -12.465 -1.451 -7.142
295 HG23 THR 36 HG23 THR 36 -13.135 -2.981 -6.576
296 H ALA 37 HN ALA 37 -10.577 -5.837 -6.418
297 HA ALA 37 HA ALA 37 -7.938 -6.670 -6.508
298 HB1 ALA 37 HB1 ALA 37 -8.754 -8.858 -7.253
299 HB2 ALA 37 HB2 ALA 37 -10.270 -8.127 -7.779
300 HB3 ALA 37 HB3 ALA 37 -9.860 -8.169 -6.064
301 H THR 38 HN THR 38 -9.705 -5.333 -9.175
302 HA THR 38 HA THR 38 -8.242 -6.605 -11.294
303 HB THR 38 HB THR 38 -8.996 -4.446 -12.560
304 HG1 THR 38 HG1 THR 38 -10.394 -4.231 -10.102
305 HG21 THR 38 HG21 THR 38 -10.225 -6.430 -12.948
306 HG22 THR 38 HG22 THR 38 -11.439 -5.266 -12.418
307 HG23 THR 38 HG23 THR 38 -10.832 -6.482 -11.294
308 H SER 39 HN SER 39 -7.452 -3.980 -9.105
309 HA SER 39 HA SER 39 -5.001 -3.388 -10.757
310 HB2 SER 39 HB2 SER 39 -4.946 -1.219 -9.658
311 HB3 SER 39 HB1 SER 39 -6.524 -1.460 -10.401
312 HG SER 39 HG SER 39 -7.339 -2.012 -8.378
313 H VAL 40 HN VAL 40 -5.646 -5.460 -8.479
314 HA VAL 40 HA VAL 40 -4.211 -4.860 -6.152
315 HB VAL 40 HB VAL 40 -5.465 -6.988 -6.560
316 HG11 VAL 40 HG11 VAL 40 -4.584 -7.416 -8.845
317 HG12 VAL 40 HG12 VAL 40 -4.400 -8.810 -7.783
318 HG13 VAL 40 HG13 VAL 40 -3.008 -7.792 -8.145
319 HG21 VAL 40 HG21 VAL 40 -4.004 -8.430 -5.273
320 HG22 VAL 40 HG22 VAL 40 -3.767 -6.777 -4.710
321 HG23 VAL 40 HG23 VAL 40 -2.580 -7.519 -5.783
322 H SER 41 HN SER 41 -3.006 -4.879 -9.323
323 HA SER 41 HA SER 41 -0.260 -5.636 -8.618
324 HB2 SER 41 HB2 SER 41 -1.140 -6.128 -10.860
325 HB3 SER 41 HB1 SER 41 -1.402 -4.409 -11.143
326 HG SER 41 HG SER 41 0.658 -5.486 -11.889
327 H ASP 42 HN ASP 42 -1.838 -2.587 -9.716
328 HA ASP 42 HA ASP 42 0.504 -1.001 -9.362
329 HB2 ASP 42 HB2 ASP 42 -0.928 0.932 -9.522
330 HB3 ASP 42 HB1 ASP 42 -1.536 -0.286 -10.639
331 H LEU 43 HN LEU 43 -1.852 -2.172 -7.040
332 HA LEU 43 HA LEU 43 -1.085 -0.279 -4.969
333 HB2 LEU 43 HB2 LEU 43 -3.263 -1.539 -4.959
334 HB3 LEU 43 HB1 LEU 43 -2.347 -3.011 -4.653
335 HG LEU 43 HG LEU 43 -1.333 -1.577 -2.635
336 HD11 LEU 43 HD11 LEU 43 -4.110 -0.423 -2.709
337 HD12 LEU 43 HD12 LEU 43 -2.783 0.415 -3.504
338 HD13 LEU 43 HD13 LEU 43 -2.715 0.101 -1.771
339 HD21 LEU 43 HD21 LEU 43 -4.071 -2.879 -2.653
340 HD22 LEU 43 HD22 LEU 43 -3.188 -2.452 -1.188
341 HD23 LEU 43 HD23 LEU 43 -2.531 -3.655 -2.295
342 H LYS 44 HN LYS 44 -0.150 -3.559 -5.922
343 HA LYS 44 HA LYS 44 1.532 -4.245 -3.778
344 HB2 LYS 44 HB2 LYS 44 0.949 -5.266 -6.321
345 HB3 LYS 44 HB1 LYS 44 2.677 -4.954 -6.412
346 HG2 LYS 44 HG2 LYS 44 2.937 -6.243 -4.254
347 HG3 LYS 44 HG1 LYS 44 1.230 -6.675 -4.377
348 HD2 LYS 44 HD2 LYS 44 1.858 -7.488 -6.787
349 HD3 LYS 44 HD1 LYS 44 3.514 -7.474 -6.178
350 HE2 LYS 44 HE2 LYS 44 2.659 -8.888 -4.228
351 HE3 LYS 44 HE1 LYS 44 1.172 -9.090 -5.157
352 HZ1 LYS 44 HZ1 LYS 44 3.555 -9.564 -6.689
353 HZ2 LYS 44 HZ2 LYS 44 2.152 -10.510 -6.544
354 HZ3 LYS 44 HZ3 LYS 44 3.386 -10.632 -5.383
355 H LYS 45 HN LYS 45 2.147 -2.094 -6.523
356 HA LYS 45 HA LYS 45 4.960 -1.716 -5.886
357 HB2 LYS 45 HB2 LYS 45 3.052 -0.118 -7.617
358 HB3 LYS 45 HB1 LYS 45 4.789 0.176 -7.518
359 HG2 LYS 45 HG2 LYS 45 5.206 -2.159 -8.256
360 HG3 LYS 45 HG1 LYS 45 3.466 -2.400 -8.419
361 HD2 LYS 45 HD2 LYS 45 3.355 -0.598 -10.088
362 HD3 LYS 45 HD1 LYS 45 5.088 -0.316 -9.911
363 HE2 LYS 45 HE2 LYS 45 5.543 -2.620 -10.674
364 HE3 LYS 45 HE1 LYS 45 3.812 -2.899 -10.858
365 HZ1 LYS 45 HZ1 LYS 45 4.313 -0.571 -12.218
366 HZ2 LYS 45 HZ2 LYS 45 4.029 -2.100 -12.900
367 HZ3 LYS 45 HZ3 LYS 45 5.619 -1.578 -12.615
368 H TYR 46 HN TYR 46 1.962 -0.106 -4.984
369 HA TYR 46 HA TYR 46 3.127 2.308 -3.973
370 HB2 TYR 46 HB2 TYR 46 0.742 2.136 -4.403
371 HB3 TYR 46 HB1 TYR 46 0.593 0.843 -3.222
372 HD1 TYR 46 HD1 TYR 46 2.159 4.273 -3.260
373 HD2 TYR 46 HD2 TYR 46 -0.469 1.518 -1.257
374 HE1 TYR 46 HE1 TYR 46 1.741 5.953 -1.487
375 HE2 TYR 46 HE2 TYR 46 -0.888 3.206 0.514
376 HH TYR 46 HH TYR 46 0.938 6.202 0.658
377 H ILE 47 HN ILE 47 2.754 -0.906 -2.581
378 HA ILE 47 HA ILE 47 3.489 -0.013 0.116
379 HB ILE 47 HB ILE 47 3.246 -2.785 -1.091
380 HG12 ILE 47 HG12 ILE 47 1.490 -1.404 0.958
381 HG13 ILE 47 HG11 ILE 47 1.152 -1.343 -0.770
382 HG21 ILE 47 HG21 ILE 47 3.843 -1.847 1.731
383 HG22 ILE 47 HG22 ILE 47 4.803 -2.942 0.734
384 HG23 ILE 47 HG23 ILE 47 3.243 -3.465 1.367
385 HD11 ILE 47 HD11 ILE 47 1.494 -3.911 0.797
386 HD12 ILE 47 HD12 ILE 47 0.972 -3.758 -0.880
387 HD13 ILE 47 HD13 ILE 47 -0.068 -3.183 0.423
388 H ALA 48 HN ALA 48 5.088 -1.373 -2.704
389 HA ALA 48 HA ALA 48 7.606 -1.895 -1.357
390 HB1 ALA 48 HB1 ALA 48 6.997 -1.525 -4.303
391 HB2 ALA 48 HB2 ALA 48 6.986 -3.061 -3.437
392 HB3 ALA 48 HB3 ALA 48 8.496 -2.175 -3.641
393 H GLU 49 HN GLU 49 6.349 0.766 -3.360
394 HA GLU 49 HA GLU 49 8.781 2.262 -3.445
395 HB2 GLU 49 HB2 GLU 49 6.894 2.704 -4.966
396 HB3 GLU 49 HB1 GLU 49 5.925 3.269 -3.607
397 HG2 GLU 49 HG2 GLU 49 7.456 5.104 -3.199
398 HG3 GLU 49 HG1 GLU 49 8.579 4.489 -4.412
399 H LEU 50 HN LEU 50 6.160 2.177 -1.044
400 HA LEU 50 HA LEU 50 7.182 4.494 0.382
401 HB2 LEU 50 HB2 LEU 50 5.243 2.315 1.223
402 HB3 LEU 50 HB1 LEU 50 5.777 3.570 2.330
403 HG LEU 50 HG LEU 50 4.490 4.129 -0.361
404 HD11 LEU 50 HD11 LEU 50 3.323 3.634 2.349
405 HD12 LEU 50 HD12 LEU 50 2.640 3.332 0.757
406 HD13 LEU 50 HD13 LEU 50 2.630 4.961 1.417
407 HD21 LEU 50 HD21 LEU 50 5.606 5.833 1.847
408 HD22 LEU 50 HD22 LEU 50 4.126 6.394 1.073
409 HD23 LEU 50 HD23 LEU 50 5.571 6.124 0.108
410 H GLU 51 HN GLU 51 7.845 1.027 0.541
411 HA GLU 51 HA GLU 51 9.270 1.122 3.033
412 HB2 GLU 51 HB2 GLU 51 9.372 -0.775 0.678
413 HB3 GLU 51 HB1 GLU 51 10.469 -0.958 2.046
414 HG2 GLU 51 HG2 GLU 51 7.459 -0.809 2.314
415 HG3 GLU 51 HG1 GLU 51 8.361 -2.321 2.218
416 H VAL 52 HN VAL 52 10.150 1.971 -0.265
417 HA VAL 52 HA VAL 52 13.009 2.154 0.373
418 HB VAL 52 HB VAL 52 11.407 3.033 -2.049
419 HG11 VAL 52 HG11 VAL 52 13.744 3.148 -3.093
420 HG12 VAL 52 HG12 VAL 52 14.369 3.141 -1.444
421 HG13 VAL 52 HG13 VAL 52 13.323 4.454 -1.984
422 HG21 VAL 52 HG21 VAL 52 11.482 0.651 -1.960
423 HG22 VAL 52 HG22 VAL 52 13.157 0.648 -1.410
424 HG23 VAL 52 HG23 VAL 52 12.774 1.111 -3.067
425 H GLN 53 HN GLN 53 10.244 4.256 0.590
426 HA GLN 53 HA GLN 53 11.951 6.686 0.638
427 HB2 GLN 53 HB2 GLN 53 8.960 6.233 0.795
428 HB3 GLN 53 HB1 GLN 53 9.692 7.811 1.090
429 HG2 GLN 53 HG2 GLN 53 10.219 6.198 -1.417
430 HG3 GLN 53 HG1 GLN 53 8.936 7.403 -1.302
431 HE21 GLN 53 HE21 GLN 53 9.673 9.678 -0.695
432 HE22 GLN 53 HE22 GLN 53 11.216 10.181 -1.191
433 H THR 54 HN THR 54 10.903 4.304 2.772
434 HA THR 54 HA THR 54 11.385 6.102 5.125
435 HB THR 54 HB THR 54 9.072 4.498 4.450
436 HG1 THR 54 HG1 THR 54 8.472 5.537 6.557
437 HG21 THR 54 HG21 THR 54 10.104 2.666 5.715
438 HG22 THR 54 HG22 THR 54 8.774 3.357 6.645
439 HG23 THR 54 HG23 THR 54 10.439 3.755 7.062
440 H GLY 55 HN GLY 55 11.639 2.815 3.789
441 HA2 GLY 55 HA2 GLY 55 13.545 2.058 5.935
442 HA3 GLY 55 HA1 GLY 55 12.871 0.975 4.714
443 H MET 56 HN MET 56 15.383 0.472 4.704
444 HA MET 56 HA MET 56 16.481 1.834 2.334
445 HB2 MET 56 HB2 MET 56 17.229 3.089 4.474
446 HB3 MET 56 HB1 MET 56 18.211 1.663 4.807
447 HG2 MET 56 HG2 MET 56 19.192 1.922 2.483
448 HG3 MET 56 HG1 MET 56 18.364 3.475 2.384
449 HE1 MET 56 HE1 MET 56 21.139 3.707 1.807
450 HE2 MET 56 HE2 MET 56 21.805 4.900 2.921
451 HE3 MET 56 HE3 MET 56 20.209 5.154 2.221
452 H THR 57 HN THR 57 15.532 -0.753 2.564
453 HA THR 57 HA THR 57 16.135 -2.974 2.197
454 HB THR 57 HB THR 57 17.852 -1.329 0.699
455 HG1 THR 57 HG1 THR 57 16.968 -3.957 0.697
456 HG21 THR 57 HG21 THR 57 19.971 -2.531 0.600
457 HG22 THR 57 HG22 THR 57 19.436 -3.645 1.859
458 HG23 THR 57 HG23 THR 57 19.719 -1.950 2.245
459 H GLN 58 HN GLN 58 17.548 -4.744 3.015
460 HA GLN 58 HA GLN 58 19.550 -4.250 5.012
461 HB2 GLN 58 HB2 GLN 58 17.562 -3.489 6.305
462 HB3 GLN 58 HB1 GLN 58 16.822 -5.071 6.062
463 HG2 GLN 58 HG2 GLN 58 18.610 -6.159 7.286
464 HG3 GLN 58 HG1 GLN 58 19.506 -4.644 7.404
465 HE21 GLN 58 HE21 GLN 58 19.320 -3.828 9.490
466 HE22 GLN 58 HE22 GLN 58 17.905 -3.855 10.427
467 H ARG 59 HN ARG 59 20.605 -5.933 3.862
468 HA ARG 59 HA ARG 59 20.007 -8.613 4.763
469 HB2 ARG 59 HB2 ARG 59 19.569 -9.564 2.479
470 HB3 ARG 59 HB1 ARG 59 18.268 -8.529 3.069
471 HG2 ARG 59 HG2 ARG 59 19.217 -6.630 1.784
472 HG3 ARG 59 HG1 ARG 59 20.471 -7.701 1.156
473 HD2 ARG 59 HD2 ARG 59 18.601 -7.467 -0.449
474 HD3 ARG 59 HD1 ARG 59 18.754 -9.129 0.124
475 HE ARG 59 HE ARG 59 16.925 -7.995 1.869
476 HH11 ARG 59 HH21 ARG 59 17.281 -8.275 -1.549
477 HH12 ARG 59 HH22 ARG 59 15.578 -8.297 -1.859
478 HH21 ARG 59 HH11 ARG 59 14.698 -8.023 1.484
479 HH22 ARG 59 HH12 ARG 59 14.115 -8.155 -0.141
480 H ARG 60 HN ARG 60 21.674 -10.127 4.062
481 HA ARG 60 HA ARG 60 23.799 -9.305 2.280
482 HB2 ARG 60 HB2 ARG 60 24.238 -7.859 4.301
483 HB3 ARG 60 HB1 ARG 60 24.478 -9.336 5.234
484 HG2 ARG 60 HG2 ARG 60 26.298 -10.012 3.718
485 HG3 ARG 60 HG1 ARG 60 26.054 -8.547 2.765
486 HD2 ARG 60 HD2 ARG 60 26.507 -7.209 4.854
487 HD3 ARG 60 HD1 ARG 60 26.952 -8.716 5.654
488 HE ARG 60 HE ARG 60 28.520 -8.695 3.370
489 HH11 ARG 60 HH21 ARG 60 27.876 -6.541 5.985
490 HH12 ARG 60 HH22 ARG 60 29.453 -5.824 5.957
491 HH21 ARG 60 HH11 ARG 60 30.583 -7.771 3.319
492 HH22 ARG 60 HH12 ARG 60 30.985 -6.520 4.449
493 H ARG 61 HN ARG 61 22.423 -11.458 4.631
494 HA ARG 61 HA ARG 61 24.395 -13.512 4.643
495 HB2 ARG 61 HB2 ARG 61 21.381 -13.818 4.809
496 HB3 ARG 61 HB1 ARG 61 22.575 -15.004 5.338
497 HG2 ARG 61 HG2 ARG 61 23.473 -13.346 6.958
498 HG3 ARG 61 HG1 ARG 61 22.216 -12.211 6.464
499 HD2 ARG 61 HD2 ARG 61 20.488 -13.863 7.145
500 HD3 ARG 61 HD1 ARG 61 21.766 -14.941 7.704
501 HE ARG 61 HE ARG 61 22.266 -12.573 9.052
502 HH11 ARG 61 HH21 ARG 61 19.569 -14.672 8.595
503 HH12 ARG 61 HH22 ARG 61 18.869 -14.328 10.142
504 HH21 ARG 61 HH11 ARG 61 21.368 -12.111 11.074
505 HH22 ARG 61 HH12 ARG 61 19.888 -12.878 11.545
506 H GLY 62 HN GLY 62 22.280 -12.437 2.151
507 HA2 GLY 62 HA2 GLY 62 23.453 -14.113 0.170
508 HA3 GLY 62 HA1 GLY 62 21.919 -14.831 0.661
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 10.319 9.516 6.847
2 H2 MET 1 HT2 MET 1 10.144 11.205 6.793
3 H3 MET 1 HT3 MET 1 9.092 10.211 5.904
4 HA MET 1 HA MET 1 9.159 10.741 8.794
5 HB2 MET 1 HB2 MET 1 6.956 10.449 6.728
6 HB3 MET 1 HB1 MET 1 6.711 10.871 8.423
7 HG2 MET 1 HG2 MET 1 8.119 12.883 8.120
8 HG3 MET 1 HG1 MET 1 8.334 12.469 6.419
9 HE1 MET 1 HE1 MET 1 7.503 15.017 6.083
10 HE2 MET 1 HE2 MET 1 7.186 15.154 7.810
11 HE3 MET 1 HE3 MET 1 5.940 15.614 6.654
12 H VAL 2 HN VAL 2 8.439 9.178 10.256
13 HA VAL 2 HA VAL 2 8.869 6.438 9.638
14 HB VAL 2 HB VAL 2 7.468 6.088 11.811
15 HG11 VAL 2 HG11 VAL 2 9.334 7.153 13.187
16 HG12 VAL 2 HG12 VAL 2 9.985 7.762 11.666
17 HG13 VAL 2 HG13 VAL 2 9.857 6.024 11.938
18 HG21 VAL 2 HG21 VAL 2 6.990 8.049 13.111
19 HG22 VAL 2 HG22 VAL 2 6.305 8.343 11.515
20 HG23 VAL 2 HG23 VAL 2 7.834 9.093 11.968
21 H ARG 3 HN ARG 3 7.614 6.030 7.669
22 HA ARG 3 HA ARG 3 4.738 6.382 7.694
23 HB2 ARG 3 HB2 ARG 3 6.310 6.228 5.642
24 HB3 ARG 3 HB1 ARG 3 6.249 4.485 5.889
25 HG2 ARG 3 HG2 ARG 3 4.477 4.768 4.402
26 HG3 ARG 3 HG1 ARG 3 3.628 4.883 5.941
27 HD2 ARG 3 HD2 ARG 3 3.741 7.341 5.836
28 HD3 ARG 3 HD1 ARG 3 4.644 7.245 4.326
29 HE ARG 3 HE ARG 3 2.326 5.822 3.801
30 HH11 ARG 3 HH21 ARG 3 3.123 8.942 5.030
31 HH12 ARG 3 HH22 ARG 3 1.699 9.701 4.401
32 HH21 ARG 3 HH11 ARG 3 0.461 6.793 2.973
33 HH22 ARG 3 HH12 ARG 3 0.192 8.484 3.236
34 H GLN 4 HN GLN 4 5.716 4.939 9.968
35 HA GLN 4 HA GLN 4 5.365 2.102 9.686
36 HB2 GLN 4 HB2 GLN 4 5.147 3.871 12.130
37 HB3 GLN 4 HB1 GLN 4 5.243 2.110 12.161
38 HG2 GLN 4 HG2 GLN 4 7.329 3.846 10.821
39 HG3 GLN 4 HG1 GLN 4 7.457 3.313 12.497
40 HE21 GLN 4 HE21 GLN 4 6.820 0.719 12.578
41 HE22 GLN 4 HE22 GLN 4 7.706 -0.210 11.468
42 H GLU 5 HN GLU 5 3.160 4.444 11.320
43 HA GLU 5 HA GLU 5 1.012 2.616 11.709
44 HB2 GLU 5 HB2 GLU 5 0.985 5.618 11.274
45 HB3 GLU 5 HB1 GLU 5 -0.414 4.688 11.809
46 HG2 GLU 5 HG2 GLU 5 0.676 5.572 13.778
47 HG3 GLU 5 HG1 GLU 5 0.983 3.835 13.727
48 H GLU 6 HN GLU 6 1.470 4.869 8.933
49 HA GLU 6 HA GLU 6 -0.946 3.967 7.634
50 HB2 GLU 6 HB2 GLU 6 1.471 5.472 6.636
51 HB3 GLU 6 HB1 GLU 6 0.143 5.033 5.570
52 HG2 GLU 6 HG2 GLU 6 -0.258 6.560 8.154
53 HG3 GLU 6 HG1 GLU 6 -0.027 7.348 6.594
54 H LEU 7 HN LEU 7 2.472 3.024 7.316
55 HA LEU 7 HA LEU 7 2.291 1.327 5.083
56 HB2 LEU 7 HB2 LEU 7 4.448 1.667 6.033
57 HB3 LEU 7 HB1 LEU 7 3.914 1.160 7.630
58 HG LEU 7 HG LEU 7 3.716 -1.158 6.870
59 HD11 LEU 7 HD11 LEU 7 4.455 0.032 4.186
60 HD12 LEU 7 HD12 LEU 7 2.986 -0.848 4.593
61 HD13 LEU 7 HD13 LEU 7 4.528 -1.695 4.533
62 HD21 LEU 7 HD21 LEU 7 6.303 0.219 6.107
63 HD22 LEU 7 HD22 LEU 7 6.127 -1.533 6.215
64 HD23 LEU 7 HD23 LEU 7 5.907 -0.535 7.652
65 H ALA 8 HN ALA 8 1.751 0.468 8.517
66 HA ALA 8 HA ALA 8 0.982 -2.207 8.171
67 HB1 ALA 8 HB1 ALA 8 1.291 -1.178 10.383
68 HB2 ALA 8 HB2 ALA 8 -0.296 -1.941 10.274
69 HB3 ALA 8 HB3 ALA 8 -0.148 -0.189 10.132
70 H ALA 9 HN ALA 9 -1.003 0.732 7.867
71 HA ALA 9 HA ALA 9 -3.503 -0.593 7.486
72 HB1 ALA 9 HB1 ALA 9 -4.322 1.502 6.697
73 HB2 ALA 9 HB2 ALA 9 -2.718 2.014 6.171
74 HB3 ALA 9 HB3 ALA 9 -3.087 1.899 7.893
75 H ALA 10 HN ALA 10 -0.885 0.169 5.234
76 HA ALA 10 HA ALA 10 -2.376 -0.436 2.840
77 HB1 ALA 10 HB1 ALA 10 -0.166 0.847 3.017
78 HB2 ALA 10 HB2 ALA 10 -0.285 -0.324 1.704
79 HB3 ALA 10 HB3 ALA 10 0.614 -0.728 3.165
80 H ARG 11 HN ARG 11 -0.251 -2.385 4.935
81 HA ARG 11 HA ARG 11 -0.258 -4.732 3.316
82 HB2 ARG 11 HB2 ARG 11 0.013 -4.361 6.311
83 HB3 ARG 11 HB1 ARG 11 0.200 -5.922 5.514
84 HG2 ARG 11 HG2 ARG 11 2.011 -5.009 4.121
85 HG3 ARG 11 HG1 ARG 11 1.821 -3.436 4.896
86 HD2 ARG 11 HD2 ARG 11 3.681 -4.695 5.914
87 HD3 ARG 11 HD1 ARG 11 2.380 -4.441 7.079
88 HE ARG 11 HE ARG 11 1.791 -6.905 5.959
89 HH11 ARG 11 HH21 ARG 11 4.524 -5.423 7.452
90 HH12 ARG 11 HH22 ARG 11 5.134 -6.903 8.111
91 HH21 ARG 11 HH11 ARG 11 2.573 -8.847 6.812
92 HH22 ARG 11 HH12 ARG 11 4.029 -8.842 7.749
93 H ALA 12 HN ALA 12 -2.515 -3.495 5.735
94 HA ALA 12 HA ALA 12 -4.144 -5.838 5.954
95 HB1 ALA 12 HB1 ALA 12 -4.287 -3.957 7.548
96 HB2 ALA 12 HB2 ALA 12 -5.864 -4.301 6.836
97 HB3 ALA 12 HB3 ALA 12 -4.922 -2.922 6.269
98 H ALA 13 HN ALA 13 -4.093 -3.170 3.634
99 HA ALA 13 HA ALA 13 -6.616 -3.757 2.407
100 HB1 ALA 13 HB1 ALA 13 -4.996 -1.698 2.121
101 HB2 ALA 13 HB2 ALA 13 -6.021 -2.199 0.776
102 HB3 ALA 13 HB3 ALA 13 -4.316 -2.660 0.809
103 H LEU 14 HN LEU 14 -3.347 -5.036 1.898
104 HA LEU 14 HA LEU 14 -3.957 -6.523 -0.487
105 HB2 LEU 14 HB2 LEU 14 -1.647 -6.201 0.009
106 HB3 LEU 14 HB1 LEU 14 -1.825 -6.812 1.647
107 HG LEU 14 HG LEU 14 -2.249 -9.087 0.757
108 HD11 LEU 14 HD11 LEU 14 -1.806 -9.449 -1.702
109 HD12 LEU 14 HD12 LEU 14 -1.877 -7.701 -1.912
110 HD13 LEU 14 HD13 LEU 14 -3.301 -8.581 -1.363
111 HD21 LEU 14 HD21 LEU 14 0.215 -7.811 -0.462
112 HD22 LEU 14 HD22 LEU 14 0.006 -9.517 -0.066
113 HD23 LEU 14 HD23 LEU 14 0.072 -8.315 1.223
114 H HIS 15 HN HIS 15 -4.302 -7.242 2.964
115 HA HIS 15 HA HIS 15 -5.069 -10.011 2.516
116 HB2 HIS 15 HB2 HIS 15 -5.307 -8.203 4.925
117 HB3 HIS 15 HB1 HIS 15 -5.732 -9.915 4.930
118 HD1 HIS 15 HD1 HIS 15 -2.771 -7.603 4.606
119 HD2 HIS 15 HD2 HIS 15 -3.532 -11.687 4.947
120 HE1 HIS 15 HE1 HIS 15 -0.532 -8.716 5.009
121 H ASP 16 HN ASP 16 -6.860 -7.071 3.396
122 HA ASP 16 HA ASP 16 -9.360 -8.404 3.432
123 HB2 ASP 16 HB2 ASP 16 -8.893 -5.478 2.854
124 HB3 ASP 16 HB1 ASP 16 -10.330 -6.205 3.568
125 H LEU 17 HN LEU 17 -7.543 -7.001 0.755
126 HA LEU 17 HA LEU 17 -9.866 -7.041 -1.028
127 HB2 LEU 17 HB2 LEU 17 -6.915 -6.570 -1.518
128 HB3 LEU 17 HB1 LEU 17 -8.038 -6.768 -2.854
129 HG LEU 17 HG LEU 17 -8.349 -4.712 -0.651
130 HD11 LEU 17 HD11 LEU 17 -6.430 -4.066 -1.898
131 HD12 LEU 17 HD12 LEU 17 -7.753 -3.143 -2.604
132 HD13 LEU 17 HD13 LEU 17 -7.148 -4.580 -3.424
133 HD21 LEU 17 HD21 LEU 17 -9.957 -5.475 -3.077
134 HD22 LEU 17 HD22 LEU 17 -9.852 -3.764 -2.676
135 HD23 LEU 17 HD23 LEU 17 -10.511 -4.899 -1.506
136 H MET 18 HN MET 18 -7.232 -9.286 -0.282
137 HA MET 18 HA MET 18 -8.251 -11.132 -2.401
138 HB2 MET 18 HB2 MET 18 -5.748 -10.458 -2.139
139 HB3 MET 18 HB1 MET 18 -5.755 -11.571 -0.769
140 HG2 MET 18 HG2 MET 18 -5.042 -12.823 -2.696
141 HG3 MET 18 HG1 MET 18 -6.687 -13.336 -2.333
142 HE1 MET 18 HE1 MET 18 -4.787 -13.337 -5.173
143 HE2 MET 18 HE2 MET 18 -6.173 -13.370 -6.260
144 HE3 MET 18 HE3 MET 18 -6.197 -14.332 -4.785
145 H THR 19 HN THR 19 -8.809 -10.555 0.812
146 HA THR 19 HA THR 19 -8.937 -13.421 1.587
147 HB THR 19 HB THR 19 -9.516 -10.871 3.123
148 HG1 THR 19 HG1 THR 19 -7.402 -12.684 2.898
149 HG21 THR 19 HG21 THR 19 -10.991 -12.500 4.026
150 HG22 THR 19 HG22 THR 19 -9.581 -12.514 5.085
151 HG23 THR 19 HG23 THR 19 -9.788 -13.780 3.874
152 H GLY 20 HN GLY 20 -11.027 -10.846 0.473
153 HA2 GLY 20 HA2 GLY 20 -13.175 -12.582 -0.131
154 HA3 GLY 20 HA1 GLY 20 -13.508 -11.886 1.454
155 H LYS 21 HN LYS 21 -13.630 -9.514 1.592
156 HA LYS 21 HA LYS 21 -15.279 -8.335 -0.337
157 HB2 LYS 21 HB2 LYS 21 -13.376 -6.493 1.062
158 HB3 LYS 21 HB1 LYS 21 -15.128 -6.394 0.914
159 HG2 LYS 21 HG2 LYS 21 -15.257 -8.394 2.481
160 HG3 LYS 21 HG1 LYS 21 -13.532 -8.173 2.769
161 HD2 LYS 21 HD2 LYS 21 -13.919 -5.895 3.562
162 HD3 LYS 21 HD1 LYS 21 -15.641 -6.040 3.203
163 HE2 LYS 21 HE2 LYS 21 -15.285 -6.433 5.584
164 HE3 LYS 21 HE1 LYS 21 -15.774 -7.942 4.813
165 HZ1 LYS 21 HZ1 LYS 21 -13.763 -7.947 6.392
166 HZ2 LYS 21 HZ2 LYS 21 -12.919 -7.264 5.084
167 HZ3 LYS 21 HZ3 LYS 21 -13.646 -8.792 4.926
168 H ARG 22 HN ARG 22 -14.934 -7.260 -2.256
169 HA ARG 22 HA ARG 22 -12.214 -7.463 -3.415
170 HB2 ARG 22 HB2 ARG 22 -14.771 -6.564 -4.762
171 HB3 ARG 22 HB1 ARG 22 -13.283 -7.103 -5.540
172 HG2 ARG 22 HG2 ARG 22 -13.584 -9.337 -4.436
173 HG3 ARG 22 HG1 ARG 22 -15.150 -8.783 -3.842
174 HD2 ARG 22 HD2 ARG 22 -14.331 -8.947 -6.758
175 HD3 ARG 22 HD1 ARG 22 -15.412 -10.069 -5.929
176 HE ARG 22 HE ARG 22 -16.583 -7.594 -5.509
177 HH11 ARG 22 HH21 ARG 22 -15.454 -9.403 -8.219
178 HH12 ARG 22 HH22 ARG 22 -16.618 -8.737 -9.316
179 HH21 ARG 22 HH11 ARG 22 -18.109 -6.714 -6.926
180 HH22 ARG 22 HH12 ARG 22 -18.120 -7.215 -8.585
181 H VAL 23 HN VAL 23 -14.231 -5.092 -1.961
182 HA VAL 23 HA VAL 23 -12.750 -2.853 -3.295
183 HB VAL 23 HB VAL 23 -15.259 -2.761 -1.598
184 HG11 VAL 23 HG11 VAL 23 -15.466 -0.492 -2.600
185 HG12 VAL 23 HG12 VAL 23 -13.894 -0.711 -3.369
186 HG13 VAL 23 HG13 VAL 23 -14.015 -0.653 -1.610
187 HG21 VAL 23 HG21 VAL 23 -15.802 -3.954 -3.601
188 HG22 VAL 23 HG22 VAL 23 -14.812 -2.880 -4.590
189 HG23 VAL 23 HG23 VAL 23 -16.314 -2.289 -3.879
190 H ALA 24 HN ALA 24 -11.757 -1.246 -2.049
191 HA ALA 24 HA ALA 24 -11.677 -1.467 0.889
192 HB1 ALA 24 HB1 ALA 24 -9.870 -2.983 0.343
193 HB2 ALA 24 HB2 ALA 24 -9.139 -1.468 0.866
194 HB3 ALA 24 HB3 ALA 24 -9.221 -1.860 -0.850
195 H THR 25 HN THR 25 -10.825 0.528 1.835
196 HA THR 25 HA THR 25 -10.334 2.753 -0.123
197 HB THR 25 HB THR 25 -11.785 4.206 1.305
198 HG1 THR 25 HG1 THR 25 -13.270 2.377 2.447
199 HG21 THR 25 HG21 THR 25 -13.410 1.840 0.398
200 HG22 THR 25 HG22 THR 25 -12.573 2.859 -0.773
201 HG23 THR 25 HG23 THR 25 -13.797 3.557 0.284
202 H VAL 26 HN VAL 26 -8.898 4.323 0.615
203 HA VAL 26 HA VAL 26 -8.006 4.293 3.438
204 HB VAL 26 HB VAL 26 -5.573 4.336 2.610
205 HG11 VAL 26 HG11 VAL 26 -7.100 1.747 2.238
206 HG12 VAL 26 HG12 VAL 26 -6.647 2.419 3.804
207 HG13 VAL 26 HG13 VAL 26 -5.399 1.915 2.666
208 HG21 VAL 26 HG21 VAL 26 -6.709 2.873 0.229
209 HG22 VAL 26 HG22 VAL 26 -5.063 3.454 0.480
210 HG23 VAL 26 HG23 VAL 26 -6.367 4.604 0.180
211 H GLN 27 HN GLN 27 -6.763 6.268 3.939
212 HA GLN 27 HA GLN 27 -7.732 8.536 2.333
213 HB2 GLN 27 HB2 GLN 27 -7.704 8.553 4.849
214 HB3 GLN 27 HB1 GLN 27 -5.942 8.558 4.783
215 HG2 GLN 27 HG2 GLN 27 -5.950 10.665 3.557
216 HG3 GLN 27 HG1 GLN 27 -7.712 10.645 3.480
217 HE21 GLN 27 HE21 GLN 27 -5.116 10.447 5.990
218 HE22 GLN 27 HE22 GLN 27 -5.945 11.397 7.126
219 H LYS 28 HN LYS 28 -6.542 9.593 0.836
220 HA LYS 28 HA LYS 28 -3.557 9.316 0.874
221 HB2 LYS 28 HB2 LYS 28 -4.830 7.763 -0.856
222 HB3 LYS 28 HB1 LYS 28 -5.015 9.257 -1.775
223 HG2 LYS 28 HG2 LYS 28 -2.394 8.068 -0.811
224 HG3 LYS 28 HG1 LYS 28 -2.984 8.075 -2.473
225 HD2 LYS 28 HD2 LYS 28 -3.098 10.657 -2.201
226 HD3 LYS 28 HD1 LYS 28 -2.061 10.409 -0.795
227 HE2 LYS 28 HE2 LYS 28 -0.449 9.178 -2.251
228 HE3 LYS 28 HE1 LYS 28 -1.458 9.565 -3.644
229 HZ1 LYS 28 HZ1 LYS 28 -0.256 11.576 -1.822
230 HZ2 LYS 28 HZ2 LYS 28 -1.127 11.892 -3.246
231 HZ3 LYS 28 HZ3 LYS 28 0.390 11.133 -3.326
232 H ASP 29 HN ASP 29 -3.030 11.400 1.340
233 HA ASP 29 HA ASP 29 -2.937 13.740 1.158
234 HB2 ASP 29 HB2 ASP 29 -2.135 12.979 -1.125
235 HB3 ASP 29 HB1 ASP 29 -3.778 13.245 -1.708
236 H GLY 30 HN GLY 30 -5.201 13.216 2.420
237 HA2 GLY 30 HA2 GLY 30 -7.379 13.964 2.841
238 HA3 GLY 30 HA1 GLY 30 -6.947 15.347 1.839
239 H ARG 31 HN ARG 31 -6.530 12.673 -0.115
240 HA ARG 31 HA ARG 31 -9.296 12.975 -1.246
241 HB2 ARG 31 HB2 ARG 31 -6.598 12.434 -2.485
242 HB3 ARG 31 HB1 ARG 31 -8.071 11.959 -3.327
243 HG2 ARG 31 HG2 ARG 31 -8.880 14.221 -3.356
244 HG3 ARG 31 HG1 ARG 31 -7.587 14.758 -2.283
245 HD2 ARG 31 HD2 ARG 31 -5.918 14.369 -3.971
246 HD3 ARG 31 HD1 ARG 31 -7.081 13.548 -5.011
247 HE ARG 31 HE ARG 31 -8.166 16.076 -4.664
248 HH11 ARG 31 HH21 ARG 31 -5.144 14.760 -5.671
249 HH12 ARG 31 HH22 ARG 31 -4.775 16.074 -6.737
250 HH21 ARG 31 HH11 ARG 31 -7.703 17.800 -6.049
251 HH22 ARG 31 HH12 ARG 31 -6.224 17.796 -6.950
252 H ARG 32 HN ARG 32 -10.586 11.217 -1.253
253 HA ARG 32 HA ARG 32 -9.509 8.646 -0.246
254 HB2 ARG 32 HB2 ARG 32 -12.177 9.947 -0.466
255 HB3 ARG 32 HB1 ARG 32 -12.197 8.208 -0.749
256 HG2 ARG 32 HG2 ARG 32 -11.368 7.717 1.401
257 HG3 ARG 32 HG1 ARG 32 -10.763 9.357 1.646
258 HD2 ARG 32 HD2 ARG 32 -13.011 10.227 1.847
259 HD3 ARG 32 HD1 ARG 32 -13.704 8.674 1.378
260 HE ARG 32 HE ARG 32 -12.195 8.076 3.626
261 HH11 ARG 32 HH21 ARG 32 -14.664 10.333 2.790
262 HH12 ARG 32 HH22 ARG 32 -15.326 10.404 4.389
263 HH21 ARG 32 HH11 ARG 32 -13.045 8.155 5.718
264 HH22 ARG 32 HH12 ARG 32 -14.409 9.170 6.046
265 H VAL 33 HN VAL 33 -9.139 6.917 -1.582
266 HA VAL 33 HA VAL 33 -10.225 6.977 -4.377
267 HB VAL 33 HB VAL 33 -7.379 6.254 -3.595
268 HG11 VAL 33 HG11 VAL 33 -8.849 6.276 -6.251
269 HG12 VAL 33 HG12 VAL 33 -8.185 4.865 -5.427
270 HG13 VAL 33 HG13 VAL 33 -7.102 6.091 -6.090
271 HG21 VAL 33 HG21 VAL 33 -7.493 8.634 -3.599
272 HG22 VAL 33 HG22 VAL 33 -8.617 8.660 -4.956
273 HG23 VAL 33 HG23 VAL 33 -6.928 8.228 -5.218
274 H GLU 34 HN GLU 34 -10.728 4.968 -5.199
275 HA GLU 34 HA GLU 34 -10.862 2.772 -3.165
276 HB2 GLU 34 HB2 GLU 34 -12.338 2.842 -5.805
277 HB3 GLU 34 HB1 GLU 34 -12.738 1.937 -4.346
278 HG2 GLU 34 HG2 GLU 34 -12.926 4.339 -3.255
279 HG3 GLU 34 HG1 GLU 34 -13.125 4.867 -4.925
280 H PHE 35 HN PHE 35 -10.383 0.602 -3.821
281 HA PHE 35 HA PHE 35 -8.758 0.243 -6.310
282 HB2 PHE 35 HB2 PHE 35 -7.957 -0.299 -3.449
283 HB3 PHE 35 HB1 PHE 35 -7.271 -1.249 -4.767
284 HD1 PHE 35 HD1 PHE 35 -6.477 0.233 -6.851
285 HD2 PHE 35 HD2 PHE 35 -6.783 1.631 -2.805
286 HE1 PHE 35 HE1 PHE 35 -4.847 2.031 -7.355
287 HE2 PHE 35 HE2 PHE 35 -5.147 3.429 -3.306
288 HZ PHE 35 HZ PHE 35 -4.183 3.632 -5.580
289 H THR 36 HN THR 36 -9.255 -1.673 -7.306
290 HA THR 36 HA THR 36 -10.973 -3.633 -5.801
291 HB THR 36 HB THR 36 -11.812 -4.203 -8.170
292 HG1 THR 36 HG1 THR 36 -10.871 -3.124 -9.681
293 HG21 THR 36 HG21 THR 36 -13.120 -2.955 -6.461
294 HG22 THR 36 HG22 THR 36 -13.471 -2.413 -8.102
295 HG23 THR 36 HG23 THR 36 -12.422 -1.450 -7.061
296 H ALA 37 HN ALA 37 -10.631 -5.866 -6.306
297 HA ALA 37 HA ALA 37 -8.018 -6.768 -6.393
298 HB1 ALA 37 HB1 ALA 37 -10.285 -8.237 -7.750
299 HB2 ALA 37 HB2 ALA 37 -10.106 -8.147 -5.997
300 HB3 ALA 37 HB3 ALA 37 -8.866 -8.937 -6.971
301 H THR 38 HN THR 38 -9.772 -5.438 -9.084
302 HA THR 38 HA THR 38 -8.294 -6.759 -11.171
303 HB THR 38 HB THR 38 -9.569 -4.029 -11.380
304 HG1 THR 38 HG1 THR 38 -10.729 -6.603 -11.285
305 HG21 THR 38 HG21 THR 38 -10.053 -4.854 -13.682
306 HG22 THR 38 HG22 THR 38 -9.169 -6.333 -13.307
307 HG23 THR 38 HG23 THR 38 -8.325 -4.785 -13.337
308 H SER 39 HN SER 39 -7.562 -4.058 -9.069
309 HA SER 39 HA SER 39 -5.156 -3.420 -10.770
310 HB2 SER 39 HB2 SER 39 -5.184 -1.211 -9.805
311 HB3 SER 39 HB1 SER 39 -6.796 -1.552 -10.413
312 HG SER 39 HG SER 39 -5.934 -1.935 -7.728
313 H VAL 40 HN VAL 40 -5.708 -5.455 -8.484
314 HA VAL 40 HA VAL 40 -4.293 -4.797 -6.154
315 HB VAL 40 HB VAL 40 -5.569 -6.917 -6.567
316 HG11 VAL 40 HG11 VAL 40 -4.638 -7.409 -8.810
317 HG12 VAL 40 HG12 VAL 40 -4.481 -8.777 -7.713
318 HG13 VAL 40 HG13 VAL 40 -3.079 -7.771 -8.068
319 HG21 VAL 40 HG21 VAL 40 -4.180 -8.349 -5.208
320 HG22 VAL 40 HG22 VAL 40 -3.925 -6.693 -4.669
321 HG23 VAL 40 HG23 VAL 40 -2.724 -7.479 -5.692
322 H SER 41 HN SER 41 -3.053 -4.916 -9.328
323 HA SER 41 HA SER 41 -0.318 -5.653 -8.549
324 HB2 SER 41 HB2 SER 41 -1.400 -4.523 -11.143
325 HB3 SER 41 HB1 SER 41 0.227 -5.156 -10.902
326 HG SER 41 HG SER 41 -2.003 -6.480 -11.485
327 H ASP 42 HN ASP 42 -1.856 -2.650 -9.808
328 HA ASP 42 HA ASP 42 0.476 -1.059 -9.491
329 HB2 ASP 42 HB2 ASP 42 -2.088 0.378 -9.010
330 HB3 ASP 42 HB1 ASP 42 -0.822 0.696 -10.191
331 H LEU 43 HN LEU 43 -1.777 -2.276 -7.110
332 HA LEU 43 HA LEU 43 -1.037 -0.312 -5.084
333 HB2 LEU 43 HB2 LEU 43 -3.181 -1.617 -5.001
334 HB3 LEU 43 HB1 LEU 43 -2.227 -3.069 -4.713
335 HG LEU 43 HG LEU 43 -1.193 -1.610 -2.725
336 HD11 LEU 43 HD11 LEU 43 -2.695 0.356 -3.571
337 HD12 LEU 43 HD12 LEU 43 -2.575 0.054 -1.838
338 HD13 LEU 43 HD13 LEU 43 -3.987 -0.498 -2.732
339 HD21 LEU 43 HD21 LEU 43 -2.446 -3.738 -2.476
340 HD22 LEU 43 HD22 LEU 43 -3.961 -2.843 -2.563
341 HD23 LEU 43 HD23 LEU 43 -2.858 -2.581 -1.211
342 H LYS 44 HN LYS 44 -0.018 -3.613 -5.975
343 HA LYS 44 HA LYS 44 1.742 -4.139 -3.839
344 HB2 LYS 44 HB2 LYS 44 1.642 -4.926 -6.730
345 HB3 LYS 44 HB1 LYS 44 3.160 -5.223 -5.883
346 HG2 LYS 44 HG2 LYS 44 1.958 -6.499 -4.154
347 HG3 LYS 44 HG1 LYS 44 0.432 -6.196 -4.982
348 HD2 LYS 44 HD2 LYS 44 1.339 -7.342 -7.004
349 HD3 LYS 44 HD1 LYS 44 2.806 -7.718 -6.098
350 HE2 LYS 44 HE2 LYS 44 0.011 -8.755 -5.664
351 HE3 LYS 44 HE1 LYS 44 1.507 -9.667 -5.857
352 HZ1 LYS 44 HZ1 LYS 44 2.172 -8.379 -3.715
353 HZ2 LYS 44 HZ2 LYS 44 1.204 -9.771 -3.607
354 HZ3 LYS 44 HZ3 LYS 44 0.496 -8.230 -3.505
355 H LYS 45 HN LYS 45 2.212 -2.058 -6.673
356 HA LYS 45 HA LYS 45 5.009 -1.537 -6.161
357 HB2 LYS 45 HB2 LYS 45 2.920 0.036 -7.694
358 HB3 LYS 45 HB1 LYS 45 4.639 0.431 -7.678
359 HG2 LYS 45 HG2 LYS 45 5.127 -1.873 -8.524
360 HG3 LYS 45 HG1 LYS 45 3.390 -2.149 -8.663
361 HD2 LYS 45 HD2 LYS 45 3.199 -0.259 -10.225
362 HD3 LYS 45 HD1 LYS 45 4.928 0.053 -10.072
363 HE2 LYS 45 HE2 LYS 45 3.733 -2.544 -11.081
364 HE3 LYS 45 HE1 LYS 45 4.376 -1.267 -12.115
365 HZ1 LYS 45 HZ1 LYS 45 5.781 -3.323 -10.891
366 HZ2 LYS 45 HZ2 LYS 45 6.244 -1.893 -10.099
367 HZ3 LYS 45 HZ3 LYS 45 6.413 -2.027 -11.784
368 H TYR 46 HN TYR 46 2.021 0.229 -5.356
369 HA TYR 46 HA TYR 46 3.149 2.489 -4.110
370 HB2 TYR 46 HB2 TYR 46 0.758 2.284 -4.531
371 HB3 TYR 46 HB1 TYR 46 0.652 0.929 -3.413
372 HD1 TYR 46 HD2 TYR 46 2.046 4.423 -3.380
373 HD2 TYR 46 HD1 TYR 46 -0.267 1.439 -1.326
374 HE1 TYR 46 HE2 TYR 46 1.646 6.010 -1.520
375 HE2 TYR 46 HE1 TYR 46 -0.679 3.032 0.529
376 HH TYR 46 HH TYR 46 1.047 5.998 0.812
377 H ILE 47 HN ILE 47 2.885 -0.815 -2.959
378 HA ILE 47 HA ILE 47 3.541 -0.142 -0.194
379 HB ILE 47 HB ILE 47 3.472 -2.776 -1.690
380 HG12 ILE 47 HG12 ILE 47 1.676 -1.743 0.523
381 HG13 ILE 47 HG11 ILE 47 1.308 -1.507 -1.185
382 HG21 ILE 47 HG21 ILE 47 5.045 -3.133 0.055
383 HG22 ILE 47 HG22 ILE 47 3.512 -3.703 0.720
384 HG23 ILE 47 HG23 ILE 47 4.143 -2.122 1.184
385 HD11 ILE 47 HD11 ILE 47 0.236 -3.552 -0.128
386 HD12 ILE 47 HD12 ILE 47 1.857 -4.229 0.017
387 HD13 ILE 47 HD13 ILE 47 1.190 -3.872 -1.576
388 H ALA 48 HN ALA 48 5.291 -1.122 -3.084
389 HA ALA 48 HA ALA 48 7.805 -1.603 -1.718
390 HB1 ALA 48 HB1 ALA 48 7.305 -2.600 -3.918
391 HB2 ALA 48 HB2 ALA 48 8.766 -1.614 -3.988
392 HB3 ALA 48 HB3 ALA 48 7.247 -0.990 -4.634
393 H GLU 49 HN GLU 49 6.417 1.151 -3.499
394 HA GLU 49 HA GLU 49 8.747 2.796 -3.381
395 HB2 GLU 49 HB2 GLU 49 6.692 3.158 -4.828
396 HB3 GLU 49 HB1 GLU 49 5.899 3.807 -3.393
397 HG2 GLU 49 HG2 GLU 49 6.817 5.692 -4.541
398 HG3 GLU 49 HG1 GLU 49 7.887 5.390 -3.170
399 H LEU 50 HN LEU 50 6.124 2.294 -1.032
400 HA LEU 50 HA LEU 50 6.988 4.533 0.622
401 HB2 LEU 50 HB2 LEU 50 5.182 2.175 1.255
402 HB3 LEU 50 HB1 LEU 50 5.608 3.395 2.446
403 HG LEU 50 HG LEU 50 4.247 3.966 -0.207
404 HD11 LEU 50 HD11 LEU 50 3.223 3.582 2.609
405 HD12 LEU 50 HD12 LEU 50 2.595 2.915 1.103
406 HD13 LEU 50 HD13 LEU 50 2.352 4.618 1.476
407 HD21 LEU 50 HD21 LEU 50 3.807 6.188 1.255
408 HD22 LEU 50 HD22 LEU 50 5.254 6.010 0.270
409 HD23 LEU 50 HD23 LEU 50 5.327 5.694 2.003
410 H GLU 51 HN GLU 51 7.840 1.107 0.466
411 HA GLU 51 HA GLU 51 9.221 1.045 2.982
412 HB2 GLU 51 HB2 GLU 51 9.472 -0.596 0.453
413 HB3 GLU 51 HB1 GLU 51 10.576 -0.839 1.806
414 HG2 GLU 51 HG2 GLU 51 7.564 -0.913 2.073
415 HG3 GLU 51 HG1 GLU 51 8.553 -2.348 1.819
416 H VAL 52 HN VAL 52 10.092 2.276 -0.196
417 HA VAL 52 HA VAL 52 12.920 2.613 0.527
418 HB VAL 52 HB VAL 52 11.296 3.612 -1.834
419 HG11 VAL 52 HG11 VAL 52 14.235 3.845 -1.155
420 HG12 VAL 52 HG12 VAL 52 13.113 5.142 -1.567
421 HG13 VAL 52 HG13 VAL 52 13.631 3.996 -2.804
422 HG21 VAL 52 HG21 VAL 52 13.188 1.293 -1.388
423 HG22 VAL 52 HG22 VAL 52 12.815 1.896 -3.002
424 HG23 VAL 52 HG23 VAL 52 11.530 1.245 -1.987
425 H GLN 53 HN GLN 53 9.978 4.426 0.858
426 HA GLN 53 HA GLN 53 11.429 6.990 1.216
427 HB2 GLN 53 HB2 GLN 53 8.483 6.269 1.285
428 HB3 GLN 53 HB1 GLN 53 9.100 7.888 1.617
429 HG2 GLN 53 HG2 GLN 53 10.115 7.995 -0.603
430 HG3 GLN 53 HG1 GLN 53 9.608 6.340 -0.940
431 HE21 GLN 53 HE21 GLN 53 7.237 7.900 0.925
432 HE22 GLN 53 HE22 GLN 53 6.194 8.357 -0.334
433 H THR 54 HN THR 54 10.580 4.315 3.072
434 HA THR 54 HA THR 54 10.662 5.926 5.605
435 HB THR 54 HB THR 54 8.768 3.953 4.644
436 HG1 THR 54 HG1 THR 54 9.049 5.616 6.904
437 HG21 THR 54 HG21 THR 54 10.080 2.271 5.848
438 HG22 THR 54 HG22 THR 54 8.590 2.606 6.730
439 HG23 THR 54 HG23 THR 54 10.116 3.295 7.285
440 H GLY 55 HN GLY 55 12.178 3.548 3.669
441 HA2 GLY 55 HA2 GLY 55 13.424 1.840 5.508
442 HA3 GLY 55 HA1 GLY 55 14.196 2.391 4.020
443 H MET 56 HN MET 56 13.649 5.220 5.337
444 HA MET 56 HA MET 56 15.105 6.785 6.373
445 HB2 MET 56 HB2 MET 56 14.102 5.441 8.314
446 HB3 MET 56 HB1 MET 56 15.621 4.545 8.341
447 HG2 MET 56 HG2 MET 56 16.874 6.618 8.693
448 HG3 MET 56 HG1 MET 56 15.387 7.559 8.579
449 HE1 MET 56 HE1 MET 56 14.749 8.620 10.824
450 HE2 MET 56 HE2 MET 56 16.504 8.536 10.704
451 HE3 MET 56 HE3 MET 56 15.714 8.144 12.228
452 H THR 57 HN THR 57 16.442 5.924 4.293
453 HA THR 57 HA THR 57 18.983 4.636 5.123
454 HB THR 57 HB THR 57 17.814 4.064 2.941
455 HG1 THR 57 HG1 THR 57 19.813 3.473 2.708
456 HG21 THR 57 HG21 THR 57 17.212 6.503 2.488
457 HG22 THR 57 HG22 THR 57 17.875 5.614 1.119
458 HG23 THR 57 HG23 THR 57 18.898 6.740 2.017
459 H GLN 58 HN GLN 58 20.712 5.979 3.343
460 HA GLN 58 HA GLN 58 20.606 8.825 3.617
461 HB2 GLN 58 HB2 GLN 58 21.021 8.288 6.008
462 HB3 GLN 58 HB1 GLN 58 22.473 7.401 5.544
463 HG2 GLN 58 HG2 GLN 58 23.487 9.423 4.656
464 HG3 GLN 58 HG1 GLN 58 22.003 10.334 4.938
465 HE21 GLN 58 HE21 GLN 58 21.472 10.910 7.162
466 HE22 GLN 58 HE22 GLN 58 22.609 10.765 8.413
467 H ARG 59 HN ARG 59 21.400 8.949 1.528
468 HA ARG 59 HA ARG 59 23.017 8.958 -0.168
469 HB2 ARG 59 HB2 ARG 59 24.384 9.670 2.016
470 HB3 ARG 59 HB1 ARG 59 25.143 8.099 1.785
471 HG2 ARG 59 HG2 ARG 59 26.545 9.444 0.495
472 HG3 ARG 59 HG1 ARG 59 25.387 8.925 -0.728
473 HD2 ARG 59 HD2 ARG 59 24.060 11.043 -0.163
474 HD3 ARG 59 HD1 ARG 59 25.479 11.569 0.741
475 HE ARG 59 HE ARG 59 26.494 10.895 -1.746
476 HH11 ARG 59 HH21 ARG 59 23.964 12.899 -0.534
477 HH12 ARG 59 HH22 ARG 59 24.078 14.050 -1.822
478 HH21 ARG 59 HH11 ARG 59 26.658 12.390 -3.436
479 HH22 ARG 59 HH12 ARG 59 25.602 13.762 -3.465
480 H ARG 60 HN ARG 60 24.607 7.404 -1.286
481 HA ARG 60 HA ARG 60 23.464 4.886 -1.671
482 HB2 ARG 60 HB2 ARG 60 26.460 5.187 -1.886
483 HB3 ARG 60 HB1 ARG 60 25.346 4.332 -2.955
484 HG2 ARG 60 HG2 ARG 60 24.336 6.616 -3.503
485 HG3 ARG 60 HG1 ARG 60 25.739 7.317 -2.695
486 HD2 ARG 60 HD2 ARG 60 27.232 6.063 -4.225
487 HD3 ARG 60 HD1 ARG 60 25.818 5.415 -5.055
488 HE ARG 60 HE ARG 60 25.447 8.156 -5.171
489 HH11 ARG 60 HH21 ARG 60 27.964 5.939 -5.967
490 HH12 ARG 60 HH22 ARG 60 28.577 6.897 -7.273
491 HH21 ARG 60 HH11 ARG 60 26.233 9.420 -6.872
492 HH22 ARG 60 HH12 ARG 60 27.597 8.868 -7.785
493 H ARG 61 HN ARG 61 24.800 2.733 -1.192
494 HA ARG 61 HA ARG 61 24.661 2.287 1.631
495 HB2 ARG 61 HB2 ARG 61 26.088 0.657 -0.496
496 HB3 ARG 61 HB1 ARG 61 25.676 0.093 1.125
497 HG2 ARG 61 HG2 ARG 61 23.275 0.521 0.631
498 HG3 ARG 61 HG1 ARG 61 23.715 0.981 -1.011
499 HD2 ARG 61 HD2 ARG 61 24.959 -1.489 -0.747
500 HD3 ARG 61 HD1 ARG 61 23.474 -1.720 0.170
501 HE ARG 61 HE ARG 61 23.635 -1.784 -2.630
502 HH11 ARG 61 HH21 ARG 61 21.890 -0.010 -0.234
503 HH12 ARG 61 HH22 ARG 61 20.592 0.397 -1.301
504 HH21 ARG 61 HH11 ARG 61 21.944 -1.271 -4.017
505 HH22 ARG 61 HH12 ARG 61 20.619 -0.320 -3.435
506 H GLY 62 HN GLY 62 27.442 2.770 -0.552
507 HA2 GLY 62 HA2 GLY 62 29.008 4.118 1.407
508 HA3 GLY 62 HA1 GLY 62 29.485 2.421 1.393
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 10.611 11.603 7.791
2 H2 MET 1 HT2 MET 1 9.112 11.063 7.201
3 H3 MET 1 HT3 MET 1 10.427 9.990 7.297
4 HA MET 1 HA MET 1 10.278 10.788 9.838
5 HB2 MET 1 HB2 MET 1 7.455 10.702 8.727
6 HB3 MET 1 HB1 MET 1 7.871 10.747 10.440
7 HG2 MET 1 HG2 MET 1 8.810 12.855 8.485
8 HG3 MET 1 HG1 MET 1 7.298 12.998 9.382
9 HE1 MET 1 HE1 MET 1 9.191 15.490 11.422
10 HE2 MET 1 HE2 MET 1 7.961 15.126 10.215
11 HE3 MET 1 HE3 MET 1 9.650 15.252 9.732
12 H VAL 2 HN VAL 2 7.558 8.976 9.833
13 HA VAL 2 HA VAL 2 8.872 6.399 9.129
14 HB VAL 2 HB VAL 2 7.906 5.544 11.419
15 HG11 VAL 2 HG11 VAL 2 10.036 6.296 12.581
16 HG12 VAL 2 HG12 VAL 2 10.388 7.263 11.151
17 HG13 VAL 2 HG13 VAL 2 10.277 5.507 11.023
18 HG21 VAL 2 HG21 VAL 2 8.313 8.493 12.034
19 HG22 VAL 2 HG22 VAL 2 7.868 7.232 13.184
20 HG23 VAL 2 HG23 VAL 2 6.738 7.709 11.920
21 H ARG 3 HN ARG 3 7.345 5.908 7.516
22 HA ARG 3 HA ARG 3 4.516 6.414 7.853
23 HB2 ARG 3 HB2 ARG 3 6.187 4.827 5.907
24 HB3 ARG 3 HB1 ARG 3 4.430 4.688 5.874
25 HG2 ARG 3 HG2 ARG 3 5.331 6.441 4.314
26 HG3 ARG 3 HG1 ARG 3 4.188 7.070 5.499
27 HD2 ARG 3 HD2 ARG 3 5.932 8.006 6.832
28 HD3 ARG 3 HD1 ARG 3 7.175 7.108 5.961
29 HE ARG 3 HE ARG 3 5.977 8.664 4.001
30 HH11 ARG 3 HH21 ARG 3 7.419 9.181 7.090
31 HH12 ARG 3 HH22 ARG 3 7.977 10.775 6.710
32 HH21 ARG 3 HH11 ARG 3 6.699 10.744 3.487
33 HH22 ARG 3 HH12 ARG 3 7.572 11.660 4.670
34 H GLN 4 HN GLN 4 6.238 4.558 9.739
35 HA GLN 4 HA GLN 4 5.456 1.921 9.736
36 HB2 GLN 4 HB2 GLN 4 5.622 3.843 12.060
37 HB3 GLN 4 HB1 GLN 4 5.380 2.109 12.271
38 HG2 GLN 4 HG2 GLN 4 7.465 1.616 11.142
39 HG3 GLN 4 HG1 GLN 4 7.681 3.313 10.712
40 HE21 GLN 4 HE21 GLN 4 9.819 2.851 11.992
41 HE22 GLN 4 HE22 GLN 4 9.765 3.118 13.668
42 H GLU 5 HN GLU 5 3.375 4.672 10.676
43 HA GLU 5 HA GLU 5 1.192 2.910 11.549
44 HB2 GLU 5 HB2 GLU 5 1.570 5.869 11.158
45 HB3 GLU 5 HB1 GLU 5 -0.081 5.255 11.218
46 HG2 GLU 5 HG2 GLU 5 0.207 4.384 13.411
47 HG3 GLU 5 HG1 GLU 5 1.961 4.537 13.333
48 H GLU 6 HN GLU 6 0.986 5.382 8.969
49 HA GLU 6 HA GLU 6 -1.154 4.260 7.593
50 HB2 GLU 6 HB2 GLU 6 -0.057 5.307 5.492
51 HB3 GLU 6 HB1 GLU 6 -0.449 6.381 6.832
52 HG2 GLU 6 HG2 GLU 6 2.275 5.093 6.679
53 HG3 GLU 6 HG1 GLU 6 1.923 6.536 5.732
54 H LEU 7 HN LEU 7 2.232 3.268 7.470
55 HA LEU 7 HA LEU 7 2.151 1.585 5.191
56 HB2 LEU 7 HB2 LEU 7 4.266 1.972 6.266
57 HB3 LEU 7 HB1 LEU 7 3.661 1.381 7.808
58 HG LEU 7 HG LEU 7 3.552 -0.892 6.976
59 HD11 LEU 7 HD11 LEU 7 4.425 -1.329 4.617
60 HD12 LEU 7 HD12 LEU 7 4.227 0.398 4.326
61 HD13 LEU 7 HD13 LEU 7 2.826 -0.596 4.716
62 HD21 LEU 7 HD21 LEU 7 5.770 0.064 7.716
63 HD22 LEU 7 HD22 LEU 7 6.154 0.321 6.015
64 HD23 LEU 7 HD23 LEU 7 5.898 -1.314 6.624
65 H ALA 8 HN ALA 8 1.576 0.715 8.619
66 HA ALA 8 HA ALA 8 0.816 -1.956 8.265
67 HB1 ALA 8 HB1 ALA 8 -0.606 -1.594 10.338
68 HB2 ALA 8 HB2 ALA 8 -0.171 0.112 10.239
69 HB3 ALA 8 HB3 ALA 8 1.081 -1.104 10.490
70 H ALA 9 HN ALA 9 -1.093 0.967 7.722
71 HA ALA 9 HA ALA 9 -3.627 -0.371 7.449
72 HB1 ALA 9 HB1 ALA 9 -2.858 2.197 6.056
73 HB2 ALA 9 HB2 ALA 9 -3.195 2.137 7.787
74 HB3 ALA 9 HB3 ALA 9 -4.451 1.702 6.628
75 H ALA 10 HN ALA 10 -1.023 0.375 5.172
76 HA ALA 10 HA ALA 10 -2.503 -0.325 2.800
77 HB1 ALA 10 HB1 ALA 10 -0.309 0.994 2.948
78 HB2 ALA 10 HB2 ALA 10 -0.416 -0.206 1.660
79 HB3 ALA 10 HB3 ALA 10 0.492 -0.567 3.128
80 H ARG 11 HN ARG 11 -0.403 -2.184 4.988
81 HA ARG 11 HA ARG 11 -0.345 -4.579 3.426
82 HB2 ARG 11 HB2 ARG 11 -0.116 -4.127 6.413
83 HB3 ARG 11 HB1 ARG 11 0.123 -5.699 5.653
84 HG2 ARG 11 HG2 ARG 11 1.921 -4.750 4.252
85 HG3 ARG 11 HG1 ARG 11 1.693 -3.181 5.025
86 HD2 ARG 11 HD2 ARG 11 2.283 -4.139 7.203
87 HD3 ARG 11 HD1 ARG 11 2.456 -5.735 6.471
88 HE ARG 11 HE ARG 11 4.195 -4.148 5.012
89 HH11 ARG 11 HH21 ARG 11 3.632 -4.837 8.342
90 HH12 ARG 11 HH22 ARG 11 5.287 -4.618 8.804
91 HH21 ARG 11 HH11 ARG 11 6.359 -3.859 5.596
92 HH22 ARG 11 HH12 ARG 11 6.832 -4.065 7.249
93 H ALA 12 HN ALA 12 -2.656 -3.296 5.767
94 HA ALA 12 HA ALA 12 -4.238 -5.666 6.056
95 HB1 ALA 12 HB1 ALA 12 -5.018 -2.744 6.290
96 HB2 ALA 12 HB2 ALA 12 -4.469 -3.786 7.602
97 HB3 ALA 12 HB3 ALA 12 -6.020 -4.096 6.819
98 H ALA 13 HN ALA 13 -4.261 -3.047 3.668
99 HA ALA 13 HA ALA 13 -6.745 -3.747 2.435
100 HB1 ALA 13 HB1 ALA 13 -6.168 -2.243 0.742
101 HB2 ALA 13 HB2 ALA 13 -4.448 -2.636 0.836
102 HB3 ALA 13 HB3 ALA 13 -5.198 -1.653 2.091
103 H LEU 14 HN LEU 14 -3.421 -4.909 1.915
104 HA LEU 14 HA LEU 14 -4.030 -6.513 -0.391
105 HB2 LEU 14 HB2 LEU 14 -1.719 -6.065 0.040
106 HB3 LEU 14 HB1 LEU 14 -1.830 -6.650 1.693
107 HG LEU 14 HG LEU 14 -2.185 -8.959 0.856
108 HD11 LEU 14 HD11 LEU 14 -1.771 -9.336 -1.613
109 HD12 LEU 14 HD12 LEU 14 -1.950 -7.598 -1.839
110 HD13 LEU 14 HD13 LEU 14 -3.304 -8.552 -1.240
111 HD21 LEU 14 HD21 LEU 14 0.113 -8.103 1.256
112 HD22 LEU 14 HD22 LEU 14 0.199 -7.601 -0.432
113 HD23 LEU 14 HD23 LEU 14 0.067 -9.311 -0.027
114 H HIS 15 HN HIS 15 -4.267 -7.083 3.088
115 HA HIS 15 HA HIS 15 -4.880 -9.909 2.814
116 HB2 HIS 15 HB2 HIS 15 -3.882 -8.936 4.875
117 HB3 HIS 15 HB1 HIS 15 -5.385 -8.052 5.147
118 HD1 HIS 15 HD1 HIS 15 -6.636 -9.230 6.950
119 HD2 HIS 15 HD2 HIS 15 -4.872 -11.924 4.301
120 HE1 HIS 15 HE1 HIS 15 -7.364 -11.542 7.687
121 H ASP 16 HN ASP 16 -6.801 -6.961 3.195
122 HA ASP 16 HA ASP 16 -9.251 -8.469 3.443
123 HB2 ASP 16 HB2 ASP 16 -8.986 -5.558 2.695
124 HB3 ASP 16 HB1 ASP 16 -10.338 -6.341 3.512
125 H LEU 17 HN LEU 17 -7.585 -6.892 0.726
126 HA LEU 17 HA LEU 17 -9.844 -7.205 -1.072
127 HB2 LEU 17 HB2 LEU 17 -6.913 -6.628 -1.579
128 HB3 LEU 17 HB1 LEU 17 -8.055 -6.857 -2.894
129 HG LEU 17 HG LEU 17 -8.386 -4.808 -0.687
130 HD11 LEU 17 HD11 LEU 17 -6.501 -4.112 -1.960
131 HD12 LEU 17 HD12 LEU 17 -7.858 -3.221 -2.644
132 HD13 LEU 17 HD13 LEU 17 -7.229 -4.641 -3.477
133 HD21 LEU 17 HD21 LEU 17 -10.553 -5.071 -1.511
134 HD22 LEU 17 HD22 LEU 17 -10.002 -5.609 -3.097
135 HD23 LEU 17 HD23 LEU 17 -9.948 -3.900 -2.678
136 H MET 18 HN MET 18 -7.151 -9.302 -0.178
137 HA MET 18 HA MET 18 -7.953 -11.223 -2.323
138 HB2 MET 18 HB2 MET 18 -5.598 -10.780 -2.316
139 HB3 MET 18 HB1 MET 18 -5.499 -11.016 -0.571
140 HG2 MET 18 HG2 MET 18 -5.716 -13.341 -0.738
141 HG3 MET 18 HG1 MET 18 -6.485 -13.256 -2.325
142 HE1 MET 18 HE1 MET 18 -5.346 -13.686 -4.428
143 HE2 MET 18 HE2 MET 18 -3.822 -12.917 -4.861
144 HE3 MET 18 HE3 MET 18 -5.175 -11.929 -4.318
145 H THR 19 HN THR 19 -8.809 -10.625 0.811
146 HA THR 19 HA THR 19 -8.904 -13.489 1.614
147 HB THR 19 HB THR 19 -9.530 -10.903 3.055
148 HG1 THR 19 HG1 THR 19 -7.712 -11.349 4.061
149 HG21 THR 19 HG21 THR 19 -9.922 -12.487 5.039
150 HG22 THR 19 HG22 THR 19 -10.142 -13.755 3.832
151 HG23 THR 19 HG23 THR 19 -11.223 -12.361 3.854
152 H GLY 20 HN GLY 20 -10.965 -10.970 0.324
153 HA2 GLY 20 HA2 GLY 20 -13.013 -12.730 -0.466
154 HA3 GLY 20 HA1 GLY 20 -13.478 -12.124 1.123
155 H LYS 21 HN LYS 21 -13.638 -9.736 1.358
156 HA LYS 21 HA LYS 21 -15.269 -8.520 -0.541
157 HB2 LYS 21 HB2 LYS 21 -13.330 -6.751 0.917
158 HB3 LYS 21 HB1 LYS 21 -15.065 -6.559 0.689
159 HG2 LYS 21 HG2 LYS 21 -15.350 -8.605 2.199
160 HG3 LYS 21 HG1 LYS 21 -13.640 -8.433 2.587
161 HD2 LYS 21 HD2 LYS 21 -14.599 -7.174 4.300
162 HD3 LYS 21 HD1 LYS 21 -14.300 -5.921 3.099
163 HE2 LYS 21 HE2 LYS 21 -16.618 -6.043 2.337
164 HE3 LYS 21 HE1 LYS 21 -16.933 -7.400 3.417
165 HZ1 LYS 21 HZ1 LYS 21 -15.807 -5.117 4.746
166 HZ2 LYS 21 HZ2 LYS 21 -17.167 -6.051 5.154
167 HZ3 LYS 21 HZ3 LYS 21 -17.307 -4.790 4.024
168 H ARG 22 HN ARG 22 -14.957 -7.407 -2.439
169 HA ARG 22 HA ARG 22 -12.252 -7.565 -3.643
170 HB2 ARG 22 HB2 ARG 22 -13.672 -6.636 -5.673
171 HB3 ARG 22 HB1 ARG 22 -13.811 -8.328 -5.204
172 HG2 ARG 22 HG2 ARG 22 -15.651 -6.377 -3.852
173 HG3 ARG 22 HG1 ARG 22 -15.977 -6.758 -5.539
174 HD2 ARG 22 HD2 ARG 22 -16.247 -9.079 -5.079
175 HD3 ARG 22 HD1 ARG 22 -15.546 -8.922 -3.469
176 HE ARG 22 HE ARG 22 -17.759 -7.261 -3.386
177 HH11 ARG 22 HH21 ARG 22 -17.116 -10.536 -4.245
178 HH12 ARG 22 HH22 ARG 22 -18.678 -11.110 -3.764
179 HH21 ARG 22 HH11 ARG 22 -19.806 -7.990 -2.753
180 HH22 ARG 22 HH12 ARG 22 -20.201 -9.668 -2.919
181 H VAL 23 HN VAL 23 -14.286 -5.251 -2.125
182 HA VAL 23 HA VAL 23 -12.796 -2.982 -3.396
183 HB VAL 23 HB VAL 23 -15.397 -3.177 -3.394
184 HG11 VAL 23 HG11 VAL 23 -15.074 -1.887 -0.682
185 HG12 VAL 23 HG12 VAL 23 -15.416 -3.606 -0.858
186 HG13 VAL 23 HG13 VAL 23 -16.559 -2.415 -1.472
187 HG21 VAL 23 HG21 VAL 23 -14.194 -1.194 -4.149
188 HG22 VAL 23 HG22 VAL 23 -13.961 -0.668 -2.482
189 HG23 VAL 23 HG23 VAL 23 -15.582 -0.703 -3.178
190 H ALA 24 HN ALA 24 -11.862 -1.380 -2.138
191 HA ALA 24 HA ALA 24 -11.831 -1.586 0.800
192 HB1 ALA 24 HB1 ALA 24 -9.316 -1.606 0.856
193 HB2 ALA 24 HB2 ALA 24 -9.321 -1.923 -0.877
194 HB3 ALA 24 HB3 ALA 24 -10.006 -3.105 0.237
195 H THR 25 HN THR 25 -10.998 0.424 1.744
196 HA THR 25 HA THR 25 -10.460 2.624 -0.221
197 HB THR 25 HB THR 25 -12.328 2.993 2.129
198 HG1 THR 25 HG1 THR 25 -12.751 1.683 -0.208
199 HG21 THR 25 HG21 THR 25 -11.867 4.495 -0.459
200 HG22 THR 25 HG22 THR 25 -11.344 5.006 1.148
201 HG23 THR 25 HG23 THR 25 -13.065 4.921 0.765
202 H VAL 26 HN VAL 26 -9.067 4.234 0.571
203 HA VAL 26 HA VAL 26 -8.277 4.169 3.433
204 HB VAL 26 HB VAL 26 -5.824 4.267 2.695
205 HG11 VAL 26 HG11 VAL 26 -6.929 2.281 3.756
206 HG12 VAL 26 HG12 VAL 26 -5.613 1.852 2.662
207 HG13 VAL 26 HG13 VAL 26 -7.287 1.674 2.140
208 HG21 VAL 26 HG21 VAL 26 -6.485 4.644 0.263
209 HG22 VAL 26 HG22 VAL 26 -6.881 2.926 0.209
210 HG23 VAL 26 HG23 VAL 26 -5.230 3.442 0.552
211 H GLN 27 HN GLN 27 -6.767 6.080 3.876
212 HA GLN 27 HA GLN 27 -7.730 8.431 2.301
213 HB2 GLN 27 HB2 GLN 27 -8.113 8.348 4.794
214 HB3 GLN 27 HB1 GLN 27 -6.364 8.376 5.011
215 HG2 GLN 27 HG2 GLN 27 -6.211 10.527 3.881
216 HG3 GLN 27 HG1 GLN 27 -7.934 10.488 3.506
217 HE21 GLN 27 HE21 GLN 27 -7.461 12.689 4.865
218 HE22 GLN 27 HE22 GLN 27 -7.788 12.553 6.525
219 H LYS 28 HN LYS 28 -6.312 9.244 0.862
220 HA LYS 28 HA LYS 28 -3.381 9.151 1.492
221 HB2 LYS 28 HB2 LYS 28 -4.429 8.760 -1.313
222 HB3 LYS 28 HB1 LYS 28 -2.829 8.391 -0.670
223 HG2 LYS 28 HG2 LYS 28 -4.012 6.702 0.863
224 HG3 LYS 28 HG1 LYS 28 -5.419 6.915 -0.179
225 HD2 LYS 28 HD2 LYS 28 -2.665 5.974 -1.033
226 HD3 LYS 28 HD1 LYS 28 -4.137 5.004 -0.974
227 HE2 LYS 28 HE2 LYS 28 -5.133 6.737 -2.604
228 HE3 LYS 28 HE1 LYS 28 -3.472 7.277 -2.847
229 HZ1 LYS 28 HZ1 LYS 28 -3.040 5.523 -4.109
230 HZ2 LYS 28 HZ2 LYS 28 -4.705 5.191 -4.115
231 HZ3 LYS 28 HZ3 LYS 28 -3.691 4.440 -2.978
232 H ASP 29 HN ASP 29 -2.653 11.198 1.549
233 HA ASP 29 HA ASP 29 -2.507 13.507 1.145
234 HB2 ASP 29 HB2 ASP 29 -3.461 12.714 -1.624
235 HB3 ASP 29 HB1 ASP 29 -2.537 14.155 -1.195
236 H GLY 30 HN GLY 30 -4.752 13.140 2.543
237 HA2 GLY 30 HA2 GLY 30 -6.944 13.896 2.921
238 HA3 GLY 30 HA1 GLY 30 -6.432 15.284 1.959
239 H ARG 31 HN ARG 31 -6.186 12.429 0.122
240 HA ARG 31 HA ARG 31 -8.856 12.967 -1.154
241 HB2 ARG 31 HB2 ARG 31 -6.738 13.513 -2.480
242 HB3 ARG 31 HB1 ARG 31 -6.429 11.777 -2.510
243 HG2 ARG 31 HG2 ARG 31 -8.584 11.380 -3.600
244 HG3 ARG 31 HG1 ARG 31 -8.968 13.100 -3.510
245 HD2 ARG 31 HD2 ARG 31 -7.233 13.670 -5.045
246 HD3 ARG 31 HD1 ARG 31 -6.498 12.071 -4.919
247 HE ARG 31 HE ARG 31 -9.043 11.555 -5.887
248 HH11 ARG 31 HH21 ARG 31 -6.400 13.593 -6.752
249 HH12 ARG 31 HH22 ARG 31 -6.750 13.551 -8.448
250 HH21 ARG 31 HH11 ARG 31 -9.514 11.488 -8.096
251 HH22 ARG 31 HH12 ARG 31 -8.513 12.359 -9.209
252 H ARG 32 HN ARG 32 -10.185 11.256 -1.492
253 HA ARG 32 HA ARG 32 -9.356 8.629 -0.351
254 HB2 ARG 32 HB2 ARG 32 -11.981 10.023 -0.842
255 HB3 ARG 32 HB1 ARG 32 -11.952 8.270 -0.688
256 HG2 ARG 32 HG2 ARG 32 -10.907 8.432 1.508
257 HG3 ARG 32 HG1 ARG 32 -10.775 10.184 1.348
258 HD2 ARG 32 HD2 ARG 32 -13.248 10.331 1.191
259 HD3 ARG 32 HD1 ARG 32 -13.349 8.586 1.442
260 HE ARG 32 HE ARG 32 -11.872 9.481 3.609
261 HH11 ARG 32 HH21 ARG 32 -14.893 10.264 2.145
262 HH12 ARG 32 HH22 ARG 32 -15.640 10.748 3.631
263 HH21 ARG 32 HH11 ARG 32 -12.828 10.108 5.559
264 HH22 ARG 32 HH12 ARG 32 -14.470 10.660 5.564
265 H VAL 33 HN VAL 33 -9.146 6.853 -1.663
266 HA VAL 33 HA VAL 33 -10.217 6.952 -4.454
267 HB VAL 33 HB VAL 33 -7.387 6.129 -3.714
268 HG11 VAL 33 HG11 VAL 33 -7.168 5.981 -6.227
269 HG12 VAL 33 HG12 VAL 33 -8.914 6.194 -6.337
270 HG13 VAL 33 HG13 VAL 33 -8.249 4.773 -5.533
271 HG21 VAL 33 HG21 VAL 33 -7.411 8.509 -3.715
272 HG22 VAL 33 HG22 VAL 33 -8.553 8.581 -5.056
273 HG23 VAL 33 HG23 VAL 33 -6.886 8.085 -5.342
274 H GLU 34 HN GLU 34 -10.889 4.987 -5.211
275 HA GLU 34 HA GLU 34 -10.998 2.782 -3.205
276 HB2 GLU 34 HB2 GLU 34 -12.498 3.137 -5.821
277 HB3 GLU 34 HB1 GLU 34 -12.793 1.880 -4.620
278 HG2 GLU 34 HG2 GLU 34 -13.318 3.639 -2.943
279 HG3 GLU 34 HG1 GLU 34 -13.100 4.866 -4.191
280 H PHE 35 HN PHE 35 -10.503 0.605 -3.850
281 HA PHE 35 HA PHE 35 -8.858 0.268 -6.336
282 HB2 PHE 35 HB2 PHE 35 -8.108 -0.327 -3.472
283 HB3 PHE 35 HB1 PHE 35 -7.406 -1.260 -4.793
284 HD1 PHE 35 HD1 PHE 35 -6.555 0.236 -6.833
285 HD2 PHE 35 HD2 PHE 35 -6.953 1.600 -2.784
286 HE1 PHE 35 HE1 PHE 35 -4.903 2.028 -7.281
287 HE2 PHE 35 HE2 PHE 35 -5.294 3.393 -3.230
288 HZ PHE 35 HZ PHE 35 -4.274 3.609 -5.478
289 H THR 36 HN THR 36 -9.312 -1.635 -7.368
290 HA THR 36 HA THR 36 -11.085 -3.610 -5.953
291 HB THR 36 HB THR 36 -11.821 -4.164 -8.357
292 HG1 THR 36 HG1 THR 36 -10.298 -1.833 -8.689
293 HG21 THR 36 HG21 THR 36 -13.473 -2.367 -8.358
294 HG22 THR 36 HG22 THR 36 -12.468 -1.412 -7.269
295 HG23 THR 36 HG23 THR 36 -13.197 -2.916 -6.705
296 H ALA 37 HN ALA 37 -10.690 -5.835 -6.422
297 HA ALA 37 HA ALA 37 -8.063 -6.705 -6.444
298 HB1 ALA 37 HB1 ALA 37 -9.767 -8.297 -5.963
299 HB2 ALA 37 HB2 ALA 37 -8.990 -8.871 -7.438
300 HB3 ALA 37 HB3 ALA 37 -10.545 -8.043 -7.526
301 H THR 38 HN THR 38 -9.766 -5.390 -9.170
302 HA THR 38 HA THR 38 -8.256 -6.718 -11.230
303 HB THR 38 HB THR 38 -9.034 -4.628 -12.582
304 HG1 THR 38 HG1 THR 38 -10.591 -3.421 -11.553
305 HG21 THR 38 HG21 THR 38 -11.466 -5.478 -12.431
306 HG22 THR 38 HG22 THR 38 -10.853 -6.639 -11.255
307 HG23 THR 38 HG23 THR 38 -10.230 -6.642 -12.904
308 H SER 39 HN SER 39 -7.552 -4.000 -9.120
309 HA SER 39 HA SER 39 -5.102 -3.402 -10.770
310 HB2 SER 39 HB2 SER 39 -5.082 -1.219 -9.690
311 HB3 SER 39 HB1 SER 39 -6.652 -1.491 -10.438
312 HG SER 39 HG SER 39 -7.269 -2.310 -8.277
313 H VAL 40 HN VAL 40 -5.744 -5.441 -8.473
314 HA VAL 40 HA VAL 40 -4.323 -4.826 -6.145
315 HB VAL 40 HB VAL 40 -5.590 -6.945 -6.560
316 HG11 VAL 40 HG11 VAL 40 -4.704 -7.404 -8.827
317 HG12 VAL 40 HG12 VAL 40 -4.511 -8.787 -7.752
318 HG13 VAL 40 HG13 VAL 40 -3.125 -7.765 -8.124
319 HG21 VAL 40 HG21 VAL 40 -2.728 -7.534 -5.758
320 HG22 VAL 40 HG22 VAL 40 -4.183 -8.383 -5.234
321 HG23 VAL 40 HG23 VAL 40 -3.888 -6.731 -4.699
322 H SER 41 HN SER 41 -3.092 -4.892 -9.313
323 HA SER 41 HA SER 41 -0.347 -5.621 -8.555
324 HB2 SER 41 HB2 SER 41 -1.187 -6.194 -10.789
325 HB3 SER 41 HB1 SER 41 -1.474 -4.490 -11.131
326 HG SER 41 HG SER 41 0.525 -5.120 -11.964
327 H ASP 42 HN ASP 42 -1.925 -2.621 -9.779
328 HA ASP 42 HA ASP 42 0.391 -1.004 -9.458
329 HB2 ASP 42 HB2 ASP 42 -1.063 0.914 -9.630
330 HB3 ASP 42 HB1 ASP 42 -1.669 -0.327 -10.724
331 H LEU 43 HN LEU 43 -1.886 -2.211 -7.092
332 HA LEU 43 HA LEU 43 -1.148 -0.262 -5.058
333 HB2 LEU 43 HB2 LEU 43 -3.297 -1.557 -4.997
334 HB3 LEU 43 HB1 LEU 43 -2.354 -3.014 -4.698
335 HG LEU 43 HG LEU 43 -1.337 -1.565 -2.697
336 HD11 LEU 43 HD11 LEU 43 -4.116 -0.421 -2.740
337 HD12 LEU 43 HD12 LEU 43 -2.807 0.417 -3.563
338 HD13 LEU 43 HD13 LEU 43 -2.708 0.115 -1.830
339 HD21 LEU 43 HD21 LEU 43 -3.028 -2.518 -1.206
340 HD22 LEU 43 HD22 LEU 43 -2.619 -3.677 -2.468
341 HD23 LEU 43 HD23 LEU 43 -4.120 -2.763 -2.568
342 H LYS 44 HN LYS 44 -0.150 -3.596 -5.878
343 HA LYS 44 HA LYS 44 1.587 -4.071 -3.714
344 HB2 LYS 44 HB2 LYS 44 1.497 -4.961 -6.573
345 HB3 LYS 44 HB1 LYS 44 3.006 -5.246 -5.707
346 HG2 LYS 44 HG2 LYS 44 1.857 -6.513 -3.995
347 HG3 LYS 44 HG1 LYS 44 0.286 -6.097 -4.676
348 HD2 LYS 44 HD2 LYS 44 0.654 -7.426 -6.614
349 HD3 LYS 44 HD1 LYS 44 2.382 -7.561 -6.289
350 HE2 LYS 44 HE2 LYS 44 0.926 -9.607 -5.719
351 HE3 LYS 44 HE1 LYS 44 2.037 -9.041 -4.469
352 HZ1 LYS 44 HZ1 LYS 44 -0.522 -9.479 -4.008
353 HZ2 LYS 44 HZ2 LYS 44 -0.626 -7.857 -4.504
354 HZ3 LYS 44 HZ3 LYS 44 0.357 -8.284 -3.186
355 H LYS 45 HN LYS 45 2.076 -2.036 -6.568
356 HA LYS 45 HA LYS 45 4.880 -1.556 -6.083
357 HB2 LYS 45 HB2 LYS 45 3.930 -1.159 -8.288
358 HB3 LYS 45 HB1 LYS 45 2.794 0.016 -7.624
359 HG2 LYS 45 HG2 LYS 45 4.526 1.555 -7.108
360 HG3 LYS 45 HG1 LYS 45 5.780 0.340 -7.346
361 HD2 LYS 45 HD2 LYS 45 5.740 1.797 -9.294
362 HD3 LYS 45 HD1 LYS 45 5.130 0.211 -9.763
363 HE2 LYS 45 HE2 LYS 45 3.235 2.384 -8.869
364 HE3 LYS 45 HE1 LYS 45 3.804 2.308 -10.536
365 HZ1 LYS 45 HZ1 LYS 45 2.881 -0.202 -9.423
366 HZ2 LYS 45 HZ2 LYS 45 2.610 0.476 -10.957
367 HZ3 LYS 45 HZ3 LYS 45 1.680 0.978 -9.627
368 H TYR 46 HN TYR 46 1.901 0.221 -5.269
369 HA TYR 46 HA TYR 46 3.062 2.496 -4.077
370 HB2 TYR 46 HB2 TYR 46 0.679 2.372 -4.474
371 HB3 TYR 46 HB1 TYR 46 0.531 0.989 -3.396
372 HD1 TYR 46 HD1 TYR 46 2.115 4.404 -3.180
373 HD2 TYR 46 HD2 TYR 46 -0.509 1.515 -1.371
374 HE1 TYR 46 HE1 TYR 46 1.725 5.942 -1.277
375 HE2 TYR 46 HE2 TYR 46 -0.901 3.061 0.529
376 HH TYR 46 HH TYR 46 -0.552 6.042 0.571
377 H ILE 47 HN ILE 47 2.793 -0.782 -2.890
378 HA ILE 47 HA ILE 47 3.464 -0.076 -0.131
379 HB ILE 47 HB ILE 47 3.355 -2.727 -1.598
380 HG12 ILE 47 HG12 ILE 47 1.598 -1.643 0.620
381 HG13 ILE 47 HG11 ILE 47 1.210 -1.440 -1.088
382 HG21 ILE 47 HG21 ILE 47 4.059 -2.050 1.264
383 HG22 ILE 47 HG22 ILE 47 4.952 -3.069 0.135
384 HG23 ILE 47 HG23 ILE 47 3.424 -3.633 0.814
385 HD11 ILE 47 HD11 ILE 47 1.350 -3.934 -1.351
386 HD12 ILE 47 HD12 ILE 47 0.053 -3.411 -0.277
387 HD13 ILE 47 HD13 ILE 47 1.549 -4.060 0.397
388 H ALA 48 HN ALA 48 5.163 -1.092 -3.034
389 HA ALA 48 HA ALA 48 7.685 -1.615 -1.714
390 HB1 ALA 48 HB1 ALA 48 8.614 -1.626 -3.997
391 HB2 ALA 48 HB2 ALA 48 7.102 -0.962 -4.616
392 HB3 ALA 48 HB3 ALA 48 7.133 -2.580 -3.916
393 H GLU 49 HN GLU 49 6.453 1.161 -3.623
394 HA GLU 49 HA GLU 49 8.797 2.741 -3.418
395 HB2 GLU 49 HB2 GLU 49 7.421 4.636 -4.010
396 HB3 GLU 49 HB1 GLU 49 6.838 3.235 -4.908
397 HG2 GLU 49 HG2 GLU 49 5.138 2.889 -3.065
398 HG3 GLU 49 HG1 GLU 49 5.623 4.456 -2.420
399 H LEU 50 HN LEU 50 5.998 2.544 -1.191
400 HA LEU 50 HA LEU 50 6.952 4.631 0.539
401 HB2 LEU 50 HB2 LEU 50 5.114 2.281 1.105
402 HB3 LEU 50 HB1 LEU 50 5.587 3.416 2.362
403 HG LEU 50 HG LEU 50 4.231 4.200 -0.238
404 HD11 LEU 50 HD11 LEU 50 2.552 3.085 0.983
405 HD12 LEU 50 HD12 LEU 50 2.341 4.759 1.483
406 HD13 LEU 50 HD13 LEU 50 3.184 3.624 2.539
407 HD21 LEU 50 HD21 LEU 50 3.833 6.307 1.414
408 HD22 LEU 50 HD22 LEU 50 5.253 6.187 0.386
409 HD23 LEU 50 HD23 LEU 50 5.359 5.731 2.085
410 H GLU 51 HN GLU 51 7.785 1.204 0.321
411 HA GLU 51 HA GLU 51 9.173 1.068 2.828
412 HB2 GLU 51 HB2 GLU 51 9.478 -0.501 0.257
413 HB3 GLU 51 HB1 GLU 51 10.465 -0.824 1.680
414 HG2 GLU 51 HG2 GLU 51 8.523 -1.330 3.003
415 HG3 GLU 51 HG1 GLU 51 7.441 -0.779 1.722
416 H VAL 52 HN VAL 52 10.092 2.355 -0.329
417 HA VAL 52 HA VAL 52 12.921 2.600 0.426
418 HB VAL 52 HB VAL 52 11.337 3.632 -1.948
419 HG11 VAL 52 HG11 VAL 52 13.127 5.188 -1.661
420 HG12 VAL 52 HG12 VAL 52 13.683 4.049 -2.887
421 HG13 VAL 52 HG13 VAL 52 14.264 3.909 -1.227
422 HG21 VAL 52 HG21 VAL 52 11.620 1.257 -2.083
423 HG22 VAL 52 HG22 VAL 52 13.285 1.353 -1.513
424 HG23 VAL 52 HG23 VAL 52 12.868 1.949 -3.118
425 H GLN 53 HN GLN 53 10.036 4.509 0.750
426 HA GLN 53 HA GLN 53 11.580 7.009 1.164
427 HB2 GLN 53 HB2 GLN 53 8.611 6.395 1.157
428 HB3 GLN 53 HB1 GLN 53 9.269 7.980 1.568
429 HG2 GLN 53 HG2 GLN 53 9.902 6.542 -1.020
430 HG3 GLN 53 HG1 GLN 53 8.594 7.713 -0.859
431 HE21 GLN 53 HE21 GLN 53 12.030 7.366 -1.258
432 HE22 GLN 53 HE22 GLN 53 12.412 9.018 -1.197
433 H THR 54 HN THR 54 10.607 4.343 2.962
434 HA THR 54 HA THR 54 10.714 5.904 5.525
435 HB THR 54 HB THR 54 8.792 3.977 4.515
436 HG1 THR 54 HG1 THR 54 8.494 4.908 7.057
437 HG21 THR 54 HG21 THR 54 10.051 2.259 5.716
438 HG22 THR 54 HG22 THR 54 8.571 2.625 6.602
439 HG23 THR 54 HG23 THR 54 10.112 3.273 7.159
440 H GLY 55 HN GLY 55 12.027 3.325 3.607
441 HA2 GLY 55 HA2 GLY 55 13.362 1.865 5.677
442 HA3 GLY 55 HA1 GLY 55 13.855 1.899 3.983
443 H MET 56 HN MET 56 14.146 4.828 3.950
444 HA MET 56 HA MET 56 15.962 6.339 4.221
445 HB2 MET 56 HB2 MET 56 15.601 5.189 7.002
446 HB3 MET 56 HB1 MET 56 16.792 6.443 6.660
447 HG2 MET 56 HG2 MET 56 14.887 7.811 5.655
448 HG3 MET 56 HG1 MET 56 13.785 6.617 6.343
449 HE1 MET 56 HE1 MET 56 15.520 9.807 6.740
450 HE2 MET 56 HE2 MET 56 16.908 8.829 7.208
451 HE3 MET 56 HE3 MET 56 16.155 9.897 8.389
452 H THR 57 HN THR 57 16.426 3.309 3.693
453 HA THR 57 HA THR 57 18.280 1.937 3.343
454 HB THR 57 HB THR 57 19.030 4.590 2.717
455 HG1 THR 57 HG1 THR 57 19.744 3.486 1.113
456 HG21 THR 57 HG21 THR 57 21.322 3.142 4.090
457 HG22 THR 57 HG22 THR 57 20.523 4.584 4.715
458 HG23 THR 57 HG23 THR 57 21.428 4.663 3.205
459 H GLN 58 HN GLN 58 20.127 0.957 4.476
460 HA GLN 58 HA GLN 58 20.993 1.897 7.049
461 HB2 GLN 58 HB2 GLN 58 18.609 1.178 7.559
462 HB3 GLN 58 HB1 GLN 58 19.096 -0.466 7.147
463 HG2 GLN 58 HG2 GLN 58 20.732 -0.504 8.918
464 HG3 GLN 58 HG1 GLN 58 20.502 1.215 9.239
465 HE21 GLN 58 HE21 GLN 58 18.667 -1.887 9.242
466 HE22 GLN 58 HE22 GLN 58 17.622 -1.437 10.501
467 H ARG 59 HN ARG 59 20.973 -0.283 4.457
468 HA ARG 59 HA ARG 59 23.516 -1.463 5.380
469 HB2 ARG 59 HB2 ARG 59 21.695 -2.981 6.238
470 HB3 ARG 59 HB1 ARG 59 21.201 -3.245 4.566
471 HG2 ARG 59 HG2 ARG 59 23.488 -4.062 4.042
472 HG3 ARG 59 HG1 ARG 59 23.928 -3.865 5.736
473 HD2 ARG 59 HD2 ARG 59 21.613 -5.387 5.914
474 HD3 ARG 59 HD1 ARG 59 22.358 -6.020 4.450
475 HE ARG 59 HE ARG 59 23.163 -6.685 7.053
476 HH11 ARG 59 HH21 ARG 59 24.611 -5.344 4.217
477 HH12 ARG 59 HH22 ARG 59 26.212 -5.821 4.659
478 HH21 ARG 59 HH11 ARG 59 25.239 -7.318 7.625
479 HH22 ARG 59 HH12 ARG 59 26.568 -6.940 6.579
480 H ARG 60 HN ARG 60 24.577 -0.581 3.604
481 HA ARG 60 HA ARG 60 24.160 -1.916 1.044
482 HB2 ARG 60 HB2 ARG 60 22.465 0.024 1.144
483 HB3 ARG 60 HB1 ARG 60 23.865 1.093 1.045
484 HG2 ARG 60 HG2 ARG 60 24.567 -0.129 -1.037
485 HG3 ARG 60 HG1 ARG 60 23.047 -1.021 -0.968
486 HD2 ARG 60 HD2 ARG 60 21.801 1.120 -1.056
487 HD3 ARG 60 HD1 ARG 60 23.330 1.991 -1.182
488 HE ARG 60 HE ARG 60 23.430 0.177 -3.273
489 HH11 ARG 60 HH21 ARG 60 21.221 2.566 -2.136
490 HH12 ARG 60 HH22 ARG 60 20.614 2.946 -3.713
491 HH21 ARG 60 HH11 ARG 60 22.650 0.660 -5.339
492 HH22 ARG 60 HH12 ARG 60 21.422 1.868 -5.526
493 H ARG 61 HN ARG 61 26.372 -2.018 2.620
494 HA ARG 61 HA ARG 61 28.289 0.074 1.924
495 HB2 ARG 61 HB2 ARG 61 28.727 -2.670 3.146
496 HB3 ARG 61 HB1 ARG 61 29.924 -1.376 3.070
497 HG2 ARG 61 HG2 ARG 61 28.429 0.076 4.401
498 HG3 ARG 61 HG1 ARG 61 27.255 -1.235 4.503
499 HD2 ARG 61 HD2 ARG 61 29.581 -2.467 5.389
500 HD3 ARG 61 HD1 ARG 61 29.755 -0.839 6.038
501 HE ARG 61 HE ARG 61 28.115 -2.823 7.153
502 HH11 ARG 61 HH21 ARG 61 27.737 0.390 5.940
503 HH12 ARG 61 HH22 ARG 61 26.305 0.702 6.857
504 HH21 ARG 61 HH11 ARG 61 26.262 -2.418 8.357
505 HH22 ARG 61 HH12 ARG 61 25.475 -0.881 8.227
506 H GLY 62 HN GLY 62 27.897 -3.374 1.041
507 HA2 GLY 62 HA2 GLY 62 30.026 -3.400 -0.872
508 HA3 GLY 62 HA1 GLY 62 28.687 -4.548 -0.833
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 10.330 11.756 9.224
2 H2 MET 1 HT2 MET 1 10.944 10.581 10.287
3 H3 MET 1 HT3 MET 1 9.277 10.651 9.963
4 HA MET 1 HA MET 1 9.771 10.136 7.599
5 HB2 MET 1 HB2 MET 1 12.510 9.576 8.779
6 HB3 MET 1 HB1 MET 1 12.004 9.187 7.135
7 HG2 MET 1 HG2 MET 1 13.163 11.261 6.959
8 HG3 MET 1 HG1 MET 1 11.451 11.674 6.875
9 HE1 MET 1 HE1 MET 1 14.433 13.046 7.860
10 HE2 MET 1 HE2 MET 1 13.827 14.293 8.948
11 HE3 MET 1 HE3 MET 1 13.052 14.045 7.385
12 H VAL 2 HN VAL 2 8.164 8.938 9.237
13 HA VAL 2 HA VAL 2 9.042 6.094 9.257
14 HB VAL 2 HB VAL 2 7.858 5.953 11.585
15 HG11 VAL 2 HG11 VAL 2 10.573 7.245 11.182
16 HG12 VAL 2 HG12 VAL 2 10.229 5.524 11.361
17 HG13 VAL 2 HG13 VAL 2 10.007 6.614 12.729
18 HG21 VAL 2 HG21 VAL 2 8.662 8.883 11.549
19 HG22 VAL 2 HG22 VAL 2 7.985 8.000 12.915
20 HG23 VAL 2 HG23 VAL 2 6.997 8.306 11.488
21 H ARG 3 HN ARG 3 7.529 5.849 7.474
22 HA ARG 3 HA ARG 3 4.741 6.618 7.785
23 HB2 ARG 3 HB2 ARG 3 6.327 4.987 5.813
24 HB3 ARG 3 HB1 ARG 3 4.569 4.866 5.791
25 HG2 ARG 3 HG2 ARG 3 5.438 6.613 4.230
26 HG3 ARG 3 HG1 ARG 3 4.364 7.272 5.462
27 HD2 ARG 3 HD2 ARG 3 6.207 8.117 6.745
28 HD3 ARG 3 HD1 ARG 3 7.373 7.236 5.758
29 HE ARG 3 HE ARG 3 6.088 8.864 3.933
30 HH11 ARG 3 HH21 ARG 3 7.665 9.289 6.967
31 HH12 ARG 3 HH22 ARG 3 8.221 10.889 6.605
32 HH21 ARG 3 HH11 ARG 3 6.804 10.951 3.442
33 HH22 ARG 3 HH12 ARG 3 7.734 11.830 4.610
34 H GLN 4 HN GLN 4 6.253 4.693 9.713
35 HA GLN 4 HA GLN 4 5.351 2.093 9.697
36 HB2 GLN 4 HB2 GLN 4 5.441 3.999 12.044
37 HB3 GLN 4 HB1 GLN 4 5.248 2.253 12.199
38 HG2 GLN 4 HG2 GLN 4 7.380 1.960 10.911
39 HG3 GLN 4 HG1 GLN 4 7.593 3.710 10.948
40 HE21 GLN 4 HE21 GLN 4 6.466 3.988 13.691
41 HE22 GLN 4 HE22 GLN 4 7.642 3.369 14.746
42 H GLU 5 HN GLU 5 3.342 4.950 10.426
43 HA GLU 5 HA GLU 5 1.067 3.305 11.304
44 HB2 GLU 5 HB2 GLU 5 1.568 6.227 10.808
45 HB3 GLU 5 HB1 GLU 5 -0.106 5.676 10.816
46 HG2 GLU 5 HG2 GLU 5 1.822 4.995 13.050
47 HG3 GLU 5 HG1 GLU 5 0.831 6.455 13.066
48 H GLU 6 HN GLU 6 1.024 5.669 8.624
49 HA GLU 6 HA GLU 6 -1.092 4.548 7.214
50 HB2 GLU 6 HB2 GLU 6 -0.338 5.733 5.272
51 HB3 GLU 6 HB1 GLU 6 0.137 6.697 6.665
52 HG2 GLU 6 HG2 GLU 6 2.099 6.699 5.390
53 HG3 GLU 6 HG1 GLU 6 2.396 5.362 6.496
54 H LEU 7 HN LEU 7 2.262 3.456 7.239
55 HA LEU 7 HA LEU 7 2.173 1.681 5.021
56 HB2 LEU 7 HB2 LEU 7 4.288 2.099 6.070
57 HB3 LEU 7 HB1 LEU 7 3.680 1.604 7.644
58 HG LEU 7 HG LEU 7 3.552 -0.714 6.942
59 HD11 LEU 7 HD11 LEU 7 4.420 -1.290 4.614
60 HD12 LEU 7 HD12 LEU 7 4.246 0.420 4.226
61 HD13 LEU 7 HD13 LEU 7 2.831 -0.530 4.665
62 HD21 LEU 7 HD21 LEU 7 5.739 -0.020 7.708
63 HD22 LEU 7 HD22 LEU 7 6.136 0.641 6.123
64 HD23 LEU 7 HD23 LEU 7 5.962 -1.101 6.335
65 H ALA 8 HN ALA 8 1.580 0.964 8.484
66 HA ALA 8 HA ALA 8 0.800 -1.715 8.228
67 HB1 ALA 8 HB1 ALA 8 -0.586 -1.293 10.296
68 HB2 ALA 8 HB2 ALA 8 -0.204 0.419 10.125
69 HB3 ALA 8 HB3 ALA 8 1.087 -0.747 10.416
70 H ALA 9 HN ALA 9 -1.098 1.198 7.586
71 HA ALA 9 HA ALA 9 -3.637 -0.146 7.370
72 HB1 ALA 9 HB1 ALA 9 -4.431 1.904 6.361
73 HB2 ALA 9 HB2 ALA 9 -2.784 2.411 5.986
74 HB3 ALA 9 HB3 ALA 9 -3.323 2.333 7.664
75 H ALA 10 HN ALA 10 -1.050 0.539 5.045
76 HA ALA 10 HA ALA 10 -2.544 -0.226 2.707
77 HB1 ALA 10 HB1 ALA 10 0.453 -0.427 3.101
78 HB2 ALA 10 HB2 ALA 10 -0.380 1.078 2.717
79 HB3 ALA 10 HB3 ALA 10 -0.413 -0.264 1.573
80 H ARG 11 HN ARG 11 -0.435 -2.040 4.927
81 HA ARG 11 HA ARG 11 -0.399 -4.483 3.465
82 HB2 ARG 11 HB2 ARG 11 -0.207 -3.917 6.433
83 HB3 ARG 11 HB1 ARG 11 0.004 -5.527 5.749
84 HG2 ARG 11 HG2 ARG 11 1.821 -4.637 4.293
85 HG3 ARG 11 HG1 ARG 11 1.650 -3.070 5.085
86 HD2 ARG 11 HD2 ARG 11 2.499 -5.686 6.350
87 HD3 ARG 11 HD1 ARG 11 3.453 -4.212 6.191
88 HE ARG 11 HE ARG 11 1.247 -3.415 7.665
89 HH11 ARG 11 HH21 ARG 11 3.623 -5.905 7.863
90 HH12 ARG 11 HH22 ARG 11 3.597 -5.975 9.594
91 HH21 ARG 11 HH11 ARG 11 1.200 -3.492 9.924
92 HH22 ARG 11 HH12 ARG 11 2.226 -4.609 10.761
93 H ALA 12 HN ALA 12 -2.739 -3.121 5.739
94 HA ALA 12 HA ALA 12 -4.344 -5.459 6.079
95 HB1 ALA 12 HB1 ALA 12 -5.006 -2.509 6.218
96 HB2 ALA 12 HB2 ALA 12 -4.697 -3.607 7.563
97 HB3 ALA 12 HB3 ALA 12 -6.172 -3.772 6.611
98 H ALA 13 HN ALA 13 -4.401 -2.881 3.629
99 HA ALA 13 HA ALA 13 -6.807 -3.656 2.337
100 HB1 ALA 13 HB1 ALA 13 -6.177 -2.223 0.606
101 HB2 ALA 13 HB2 ALA 13 -4.467 -2.650 0.734
102 HB3 ALA 13 HB3 ALA 13 -5.207 -1.599 1.939
103 H LEU 14 HN LEU 14 -3.474 -4.851 1.932
104 HA LEU 14 HA LEU 14 -4.005 -6.552 -0.303
105 HB2 LEU 14 HB2 LEU 14 -1.713 -6.152 0.251
106 HB3 LEU 14 HB1 LEU 14 -1.940 -6.674 1.913
107 HG LEU 14 HG LEU 14 -2.319 -9.001 1.134
108 HD11 LEU 14 HD11 LEU 14 -1.767 -9.492 -1.281
109 HD12 LEU 14 HD12 LEU 14 -1.841 -7.759 -1.589
110 HD13 LEU 14 HD13 LEU 14 -3.281 -8.622 -1.052
111 HD21 LEU 14 HD21 LEU 14 -0.036 -9.468 0.498
112 HD22 LEU 14 HD22 LEU 14 -0.016 -8.121 1.636
113 HD23 LEU 14 HD23 LEU 14 0.187 -7.821 -0.090
114 H HIS 15 HN HIS 15 -4.498 -6.955 3.163
115 HA HIS 15 HA HIS 15 -5.166 -9.777 2.978
116 HB2 HIS 15 HB2 HIS 15 -4.279 -8.683 5.051
117 HB3 HIS 15 HB1 HIS 15 -5.814 -7.827 5.194
118 HD1 HIS 15 HD1 HIS 15 -4.821 -11.475 4.596
119 HD2 HIS 15 HD2 HIS 15 -7.484 -9.221 6.878
120 HE1 HIS 15 HE1 HIS 15 -6.151 -13.125 5.981
121 H ASP 16 HN ASP 16 -7.052 -6.775 3.169
122 HA ASP 16 HA ASP 16 -9.536 -8.249 3.278
123 HB2 ASP 16 HB2 ASP 16 -9.063 -5.842 4.109
124 HB3 ASP 16 HB1 ASP 16 -9.307 -5.363 2.430
125 H LEU 17 HN LEU 17 -7.621 -6.883 0.634
126 HA LEU 17 HA LEU 17 -9.800 -7.173 -1.285
127 HB2 LEU 17 HB2 LEU 17 -6.837 -6.683 -1.683
128 HB3 LEU 17 HB1 LEU 17 -7.982 -6.818 -3.010
129 HG LEU 17 HG LEU 17 -8.165 -4.790 -0.762
130 HD11 LEU 17 HD11 LEU 17 -6.256 -4.547 -2.452
131 HD12 LEU 17 HD12 LEU 17 -7.355 -3.177 -2.330
132 HD13 LEU 17 HD13 LEU 17 -7.502 -4.306 -3.674
133 HD21 LEU 17 HD21 LEU 17 -9.915 -5.484 -3.110
134 HD22 LEU 17 HD22 LEU 17 -9.774 -3.788 -2.655
135 HD23 LEU 17 HD23 LEU 17 -10.376 -4.961 -1.491
136 H MET 18 HN MET 18 -7.203 -9.274 -0.165
137 HA MET 18 HA MET 18 -7.887 -11.235 -2.320
138 HB2 MET 18 HB2 MET 18 -5.528 -10.812 -2.154
139 HB3 MET 18 HB1 MET 18 -5.555 -11.043 -0.405
140 HG2 MET 18 HG2 MET 18 -5.805 -13.366 -0.584
141 HG3 MET 18 HG1 MET 18 -6.458 -13.271 -2.220
142 HE1 MET 18 HE1 MET 18 -3.612 -13.001 -4.562
143 HE2 MET 18 HE2 MET 18 -4.964 -11.961 -4.119
144 HE3 MET 18 HE3 MET 18 -5.202 -13.704 -4.234
145 H THR 19 HN THR 19 -8.910 -10.541 0.747
146 HA THR 19 HA THR 19 -9.148 -13.395 1.581
147 HB THR 19 HB THR 19 -9.768 -10.789 2.999
148 HG1 THR 19 HG1 THR 19 -8.077 -11.536 4.325
149 HG21 THR 19 HG21 THR 19 -11.423 -12.305 3.775
150 HG22 THR 19 HG22 THR 19 -10.133 -12.377 4.976
151 HG23 THR 19 HG23 THR 19 -10.292 -13.658 3.775
152 H GLY 20 HN GLY 20 -11.025 -10.789 0.209
153 HA2 GLY 20 HA2 GLY 20 -13.133 -12.364 -0.698
154 HA3 GLY 20 HA1 GLY 20 -13.616 -11.881 0.927
155 H LYS 21 HN LYS 21 -13.488 -9.457 1.355
156 HA LYS 21 HA LYS 21 -15.146 -7.995 -0.317
157 HB2 LYS 21 HB2 LYS 21 -13.010 -6.310 0.885
158 HB3 LYS 21 HB1 LYS 21 -14.754 -6.222 1.092
159 HG2 LYS 21 HG2 LYS 21 -12.923 -8.239 2.435
160 HG3 LYS 21 HG1 LYS 21 -13.601 -6.810 3.197
161 HD2 LYS 21 HD2 LYS 21 -15.448 -8.825 1.918
162 HD3 LYS 21 HD1 LYS 21 -14.801 -9.120 3.527
163 HE2 LYS 21 HE2 LYS 21 -15.681 -6.897 4.249
164 HE3 LYS 21 HE1 LYS 21 -16.413 -6.702 2.657
165 HZ1 LYS 21 HZ1 LYS 21 -17.107 -8.585 4.801
166 HZ2 LYS 21 HZ2 LYS 21 -17.425 -9.010 3.188
167 HZ3 LYS 21 HZ3 LYS 21 -18.123 -7.612 3.855
168 H ARG 22 HN ARG 22 -14.944 -7.067 -2.305
169 HA ARG 22 HA ARG 22 -12.315 -7.260 -3.660
170 HB2 ARG 22 HB2 ARG 22 -15.077 -6.572 -4.702
171 HB3 ARG 22 HB1 ARG 22 -13.634 -6.723 -5.703
172 HG2 ARG 22 HG2 ARG 22 -14.728 -8.919 -3.925
173 HG3 ARG 22 HG1 ARG 22 -15.025 -8.809 -5.658
174 HD2 ARG 22 HD2 ARG 22 -12.272 -8.609 -5.569
175 HD3 ARG 22 HD1 ARG 22 -12.584 -9.701 -4.224
176 HE ARG 22 HE ARG 22 -12.605 -10.458 -6.928
177 HH11 ARG 22 HH21 ARG 22 -14.758 -10.591 -4.228
178 HH12 ARG 22 HH22 ARG 22 -15.696 -11.887 -4.883
179 HH21 ARG 22 HH11 ARG 22 -13.811 -12.152 -7.774
180 HH22 ARG 22 HH12 ARG 22 -15.159 -12.773 -6.881
181 H VAL 23 HN VAL 23 -14.243 -4.885 -2.098
182 HA VAL 23 HA VAL 23 -12.778 -2.665 -3.500
183 HB VAL 23 HB VAL 23 -15.389 -2.651 -1.962
184 HG11 VAL 23 HG11 VAL 23 -13.809 -0.439 -3.294
185 HG12 VAL 23 HG12 VAL 23 -14.294 -0.536 -1.602
186 HG13 VAL 23 HG13 VAL 23 -15.509 -0.284 -2.855
187 HG21 VAL 23 HG21 VAL 23 -14.676 -2.426 -4.896
188 HG22 VAL 23 HG22 VAL 23 -16.255 -1.970 -4.254
189 HG23 VAL 23 HG23 VAL 23 -15.700 -3.640 -4.128
190 H ALA 24 HN ALA 24 -11.762 -1.073 -2.247
191 HA ALA 24 HA ALA 24 -11.804 -1.259 0.698
192 HB1 ALA 24 HB1 ALA 24 -9.259 -1.322 0.749
193 HB2 ALA 24 HB2 ALA 24 -9.313 -1.767 -0.954
194 HB3 ALA 24 HB3 ALA 24 -10.029 -2.829 0.256
195 H THR 25 HN THR 25 -10.968 0.698 1.671
196 HA THR 25 HA THR 25 -10.527 2.961 -0.269
197 HB THR 25 HB THR 25 -11.579 4.371 1.586
198 HG1 THR 25 HG1 THR 25 -11.361 2.282 2.961
199 HG21 THR 25 HG21 THR 25 -12.920 4.019 -0.321
200 HG22 THR 25 HG22 THR 25 -13.937 3.486 1.015
201 HG23 THR 25 HG23 THR 25 -13.104 2.297 0.014
202 H VAL 26 HN VAL 26 -9.110 4.665 0.519
203 HA VAL 26 HA VAL 26 -7.517 4.079 2.962
204 HB VAL 26 HB VAL 26 -6.153 4.710 0.327
205 HG11 VAL 26 HG11 VAL 26 -4.860 5.304 2.285
206 HG12 VAL 26 HG12 VAL 26 -4.178 3.828 1.606
207 HG13 VAL 26 HG13 VAL 26 -5.201 3.747 3.039
208 HG21 VAL 26 HG21 VAL 26 -5.448 2.254 0.487
209 HG22 VAL 26 HG22 VAL 26 -7.106 2.559 -0.025
210 HG23 VAL 26 HG23 VAL 26 -6.773 2.053 1.631
211 H GLN 27 HN GLN 27 -7.000 5.958 4.028
212 HA GLN 27 HA GLN 27 -8.010 8.479 2.903
213 HB2 GLN 27 HB2 GLN 27 -6.757 7.723 5.558
214 HB3 GLN 27 HB1 GLN 27 -7.202 9.382 5.153
215 HG2 GLN 27 HG2 GLN 27 -9.034 8.342 6.382
216 HG3 GLN 27 HG1 GLN 27 -9.534 8.606 4.710
217 HE21 GLN 27 HE21 GLN 27 -10.829 6.830 4.174
218 HE22 GLN 27 HE22 GLN 27 -10.403 5.209 4.447
219 H LYS 28 HN LYS 28 -6.655 9.274 1.329
220 HA LYS 28 HA LYS 28 -3.813 9.816 2.122
221 HB2 LYS 28 HB2 LYS 28 -4.593 9.103 -0.712
222 HB3 LYS 28 HB1 LYS 28 -2.985 9.131 0.013
223 HG2 LYS 28 HG2 LYS 28 -3.821 7.282 1.576
224 HG3 LYS 28 HG1 LYS 28 -5.201 7.132 0.489
225 HD2 LYS 28 HD2 LYS 28 -2.281 6.825 -0.272
226 HD3 LYS 28 HD1 LYS 28 -3.470 5.528 -0.160
227 HE2 LYS 28 HE2 LYS 28 -3.331 7.773 -2.171
228 HE3 LYS 28 HE1 LYS 28 -3.402 6.036 -2.467
229 HZ1 LYS 28 HZ1 LYS 28 -5.551 6.711 -2.879
230 HZ2 LYS 28 HZ2 LYS 28 -5.555 7.861 -1.629
231 HZ3 LYS 28 HZ3 LYS 28 -5.654 6.205 -1.264
232 H ASP 29 HN ASP 29 -3.261 11.916 1.822
233 HA ASP 29 HA ASP 29 -3.529 14.190 1.295
234 HB2 ASP 29 HB2 ASP 29 -4.711 13.116 -1.283
235 HB3 ASP 29 HB1 ASP 29 -3.905 14.667 -1.041
236 H GLY 30 HN GLY 30 -5.529 13.520 2.982
237 HA2 GLY 30 HA2 GLY 30 -7.767 13.926 3.584
238 HA3 GLY 30 HA1 GLY 30 -7.550 15.379 2.608
239 H ARG 31 HN ARG 31 -7.133 12.499 0.783
240 HA ARG 31 HA ARG 31 -9.971 12.655 -0.203
241 HB2 ARG 31 HB2 ARG 31 -8.124 13.663 -1.708
242 HB3 ARG 31 HB1 ARG 31 -7.593 12.001 -1.951
243 HG2 ARG 31 HG2 ARG 31 -9.071 12.315 -3.737
244 HG3 ARG 31 HG1 ARG 31 -10.097 11.534 -2.537
245 HD2 ARG 31 HD2 ARG 31 -10.391 14.217 -1.887
246 HD3 ARG 31 HD1 ARG 31 -10.261 14.277 -3.640
247 HE ARG 31 HE ARG 31 -12.580 13.532 -2.244
248 HH11 ARG 31 HH21 ARG 31 -10.514 12.165 -4.653
249 HH12 ARG 31 HH22 ARG 31 -11.730 11.099 -5.266
250 HH21 ARG 31 HH11 ARG 31 -14.165 12.163 -3.048
251 HH22 ARG 31 HH12 ARG 31 -13.793 11.102 -4.365
252 H ARG 32 HN ARG 32 -10.885 10.688 -0.879
253 HA ARG 32 HA ARG 32 -9.530 8.246 0.193
254 HB2 ARG 32 HB2 ARG 32 -12.426 8.874 -0.452
255 HB3 ARG 32 HB1 ARG 32 -11.858 7.275 0.031
256 HG2 ARG 32 HG2 ARG 32 -11.277 7.987 2.194
257 HG3 ARG 32 HG1 ARG 32 -11.214 9.686 1.727
258 HD2 ARG 32 HD2 ARG 32 -13.722 7.991 1.905
259 HD3 ARG 32 HD1 ARG 32 -13.234 9.240 3.049
260 HE ARG 32 HE ARG 32 -13.296 10.565 0.619
261 HH11 ARG 32 HH21 ARG 32 -15.446 8.574 2.435
262 HH12 ARG 32 HH22 ARG 32 -16.877 9.354 1.847
263 HH21 ARG 32 HH11 ARG 32 -15.151 11.594 -0.160
264 HH22 ARG 32 HH12 ARG 32 -16.709 11.063 0.377
265 H VAL 33 HN VAL 33 -8.964 6.606 -1.212
266 HA VAL 33 HA VAL 33 -9.870 6.830 -4.080
267 HB VAL 33 HB VAL 33 -7.173 5.829 -3.097
268 HG11 VAL 33 HG11 VAL 33 -6.680 5.890 -5.569
269 HG12 VAL 33 HG12 VAL 33 -8.383 6.242 -5.854
270 HG13 VAL 33 HG13 VAL 33 -7.912 4.705 -5.131
271 HG21 VAL 33 HG21 VAL 33 -6.441 7.914 -4.510
272 HG22 VAL 33 HG22 VAL 33 -7.038 8.191 -2.878
273 HG23 VAL 33 HG23 VAL 33 -8.096 8.471 -4.261
274 H GLU 34 HN GLU 34 -10.318 4.903 -5.122
275 HA GLU 34 HA GLU 34 -10.799 2.574 -3.294
276 HB2 GLU 34 HB2 GLU 34 -12.004 3.069 -6.029
277 HB3 GLU 34 HB1 GLU 34 -12.541 1.913 -4.811
278 HG2 GLU 34 HG2 GLU 34 -12.930 3.915 -3.275
279 HG3 GLU 34 HG1 GLU 34 -12.709 4.930 -4.699
280 H PHE 35 HN PHE 35 -10.300 0.469 -4.012
281 HA PHE 35 HA PHE 35 -8.584 0.143 -6.438
282 HB2 PHE 35 HB2 PHE 35 -7.872 -0.501 -3.575
283 HB3 PHE 35 HB1 PHE 35 -7.162 -1.408 -4.908
284 HD1 PHE 35 HD2 PHE 35 -6.306 0.182 -6.921
285 HD2 PHE 35 HD1 PHE 35 -6.650 1.339 -2.803
286 HE1 PHE 35 HE2 PHE 35 -4.616 1.956 -7.284
287 HE2 PHE 35 HE1 PHE 35 -4.944 3.105 -3.159
288 HZ PHE 35 HZ PHE 35 -3.935 3.422 -5.402
289 H THR 36 HN THR 36 -9.076 -1.764 -7.475
290 HA THR 36 HA THR 36 -10.865 -3.709 -6.037
291 HB THR 36 HB THR 36 -11.634 -4.249 -8.446
292 HG1 THR 36 HG1 THR 36 -11.122 -1.678 -9.178
293 HG21 THR 36 HG21 THR 36 -13.297 -2.460 -8.387
294 HG22 THR 36 HG22 THR 36 -12.281 -1.521 -7.294
295 HG23 THR 36 HG23 THR 36 -12.995 -3.038 -6.748
296 H ALA 37 HN ALA 37 -10.530 -5.941 -6.534
297 HA ALA 37 HA ALA 37 -7.926 -6.870 -6.550
298 HB1 ALA 37 HB1 ALA 37 -10.321 -8.212 -7.831
299 HB2 ALA 37 HB2 ALA 37 -9.849 -8.329 -6.135
300 HB3 ALA 37 HB3 ALA 37 -8.821 -9.025 -7.388
301 H THR 38 HN THR 38 -9.568 -5.488 -9.277
302 HA THR 38 HA THR 38 -8.069 -6.825 -11.338
303 HB THR 38 HB THR 38 -8.762 -4.687 -12.664
304 HG1 THR 38 HG1 THR 38 -10.321 -4.402 -10.315
305 HG21 THR 38 HG21 THR 38 -10.014 -6.656 -13.042
306 HG22 THR 38 HG22 THR 38 -11.221 -5.464 -12.562
307 HG23 THR 38 HG23 THR 38 -10.660 -6.666 -11.401
308 H SER 39 HN SER 39 -7.313 -4.171 -9.173
309 HA SER 39 HA SER 39 -4.822 -3.613 -10.774
310 HB2 SER 39 HB2 SER 39 -4.769 -1.450 -9.649
311 HB3 SER 39 HB1 SER 39 -6.321 -1.670 -10.446
312 HG SER 39 HG SER 39 -7.152 -1.364 -8.546
313 H VAL 40 HN VAL 40 -5.531 -5.682 -8.524
314 HA VAL 40 HA VAL 40 -4.125 -5.111 -6.167
315 HB VAL 40 HB VAL 40 -5.460 -7.183 -6.607
316 HG11 VAL 40 HG11 VAL 40 -4.551 -7.683 -8.854
317 HG12 VAL 40 HG12 VAL 40 -4.418 -9.065 -7.771
318 HG13 VAL 40 HG13 VAL 40 -2.996 -8.088 -8.125
319 HG21 VAL 40 HG21 VAL 40 -3.763 -7.004 -4.723
320 HG22 VAL 40 HG22 VAL 40 -2.644 -7.890 -5.757
321 HG23 VAL 40 HG23 VAL 40 -4.147 -8.646 -5.233
322 H SER 41 HN SER 41 -2.861 -5.249 -9.333
323 HA SER 41 HA SER 41 -0.144 -6.033 -8.516
324 HB2 SER 41 HB2 SER 41 -0.957 -6.657 -10.742
325 HB3 SER 41 HB1 SER 41 -1.219 -4.962 -11.140
326 HG SER 41 HG SER 41 0.797 -5.759 -11.911
327 H ASP 42 HN ASP 42 -1.633 -3.034 -9.856
328 HA ASP 42 HA ASP 42 0.720 -1.466 -9.539
329 HB2 ASP 42 HB2 ASP 42 -0.649 0.464 -9.866
330 HB3 ASP 42 HB1 ASP 42 -1.358 -0.815 -10.848
331 H LEU 43 HN LEU 43 -1.616 -2.576 -7.192
332 HA LEU 43 HA LEU 43 -0.906 -0.585 -5.191
333 HB2 LEU 43 HB2 LEU 43 -3.063 -1.848 -5.126
334 HB3 LEU 43 HB1 LEU 43 -2.147 -3.322 -4.826
335 HG LEU 43 HG LEU 43 -1.133 -1.933 -2.798
336 HD11 LEU 43 HD11 LEU 43 -2.427 -0.190 -1.952
337 HD12 LEU 43 HD12 LEU 43 -3.859 -0.678 -2.851
338 HD13 LEU 43 HD13 LEU 43 -2.529 0.111 -3.685
339 HD21 LEU 43 HD21 LEU 43 -3.964 -3.021 -2.744
340 HD22 LEU 43 HD22 LEU 43 -2.904 -2.822 -1.350
341 HD23 LEU 43 HD23 LEU 43 -2.500 -3.989 -2.606
342 H LYS 44 HN LYS 44 0.093 -3.936 -5.933
343 HA LYS 44 HA LYS 44 1.802 -4.378 -3.736
344 HB2 LYS 44 HB2 LYS 44 1.797 -5.286 -6.598
345 HB3 LYS 44 HB1 LYS 44 3.251 -5.596 -5.649
346 HG2 LYS 44 HG2 LYS 44 1.887 -6.735 -3.935
347 HG3 LYS 44 HG1 LYS 44 0.440 -6.445 -4.899
348 HD2 LYS 44 HD2 LYS 44 1.395 -7.754 -6.753
349 HD3 LYS 44 HD1 LYS 44 2.859 -8.030 -5.810
350 HE2 LYS 44 HE2 LYS 44 0.068 -9.037 -5.226
351 HE3 LYS 44 HE1 LYS 44 1.516 -9.991 -5.534
352 HZ1 LYS 44 HZ1 LYS 44 2.478 -9.148 -3.494
353 HZ2 LYS 44 HZ2 LYS 44 0.984 -9.893 -3.174
354 HZ3 LYS 44 HZ3 LYS 44 1.104 -8.198 -3.203
355 H LYS 45 HN LYS 45 2.366 -2.439 -6.657
356 HA LYS 45 HA LYS 45 5.148 -1.927 -6.090
357 HB2 LYS 45 HB2 LYS 45 3.848 -1.651 -8.319
358 HB3 LYS 45 HB1 LYS 45 3.347 -0.089 -7.673
359 HG2 LYS 45 HG2 LYS 45 5.836 0.343 -7.232
360 HG3 LYS 45 HG1 LYS 45 6.144 -1.053 -8.262
361 HD2 LYS 45 HD2 LYS 45 4.546 1.392 -9.082
362 HD3 LYS 45 HD1 LYS 45 6.218 1.076 -9.544
363 HE2 LYS 45 HE2 LYS 45 4.998 0.276 -11.390
364 HE3 LYS 45 HE1 LYS 45 5.301 -1.188 -10.456
365 HZ1 LYS 45 HZ1 LYS 45 2.838 -0.051 -11.166
366 HZ2 LYS 45 HZ2 LYS 45 2.971 -0.006 -9.474
367 HZ3 LYS 45 HZ3 LYS 45 3.128 -1.482 -10.302
368 H TYR 46 HN TYR 46 2.159 -0.065 -5.519
369 HA TYR 46 HA TYR 46 3.286 2.256 -4.390
370 HB2 TYR 46 HB2 TYR 46 0.887 1.972 -4.909
371 HB3 TYR 46 HB1 TYR 46 0.746 0.813 -3.595
372 HD1 TYR 46 HD2 TYR 46 2.193 4.267 -4.045
373 HD2 TYR 46 HD1 TYR 46 -0.274 1.662 -1.675
374 HE1 TYR 46 HE2 TYR 46 1.734 6.125 -2.474
375 HE2 TYR 46 HE1 TYR 46 -0.746 3.530 -0.113
376 HH TYR 46 HH TYR 46 -0.384 5.660 0.360
377 H ILE 47 HN ILE 47 2.900 -0.954 -3.027
378 HA ILE 47 HA ILE 47 3.514 -0.107 -0.297
379 HB ILE 47 HB ILE 47 3.372 -2.835 -1.611
380 HG12 ILE 47 HG12 ILE 47 1.590 -1.565 0.489
381 HG13 ILE 47 HG11 ILE 47 1.249 -1.478 -1.239
382 HG21 ILE 47 HG21 ILE 47 4.919 -3.107 0.181
383 HG22 ILE 47 HG22 ILE 47 3.363 -3.610 0.844
384 HG23 ILE 47 HG23 ILE 47 4.013 -2.017 1.229
385 HD11 ILE 47 HD11 ILE 47 1.701 -4.099 0.203
386 HD12 ILE 47 HD12 ILE 47 1.034 -3.856 -1.410
387 HD13 ILE 47 HD13 ILE 47 0.102 -3.381 0.009
388 H ALA 48 HN ALA 48 5.276 -1.341 -3.079
389 HA ALA 48 HA ALA 48 7.744 -1.827 -1.637
390 HB1 ALA 48 HB1 ALA 48 7.271 -1.375 -4.597
391 HB2 ALA 48 HB2 ALA 48 7.240 -2.939 -3.782
392 HB3 ALA 48 HB3 ALA 48 8.745 -2.025 -3.879
393 H GLU 49 HN GLU 49 6.439 0.890 -3.520
394 HA GLU 49 HA GLU 49 8.850 2.443 -3.496
395 HB2 GLU 49 HB2 GLU 49 5.955 3.290 -3.766
396 HB3 GLU 49 HB1 GLU 49 7.330 4.362 -4.024
397 HG2 GLU 49 HG2 GLU 49 8.155 2.932 -5.822
398 HG3 GLU 49 HG1 GLU 49 6.860 1.772 -5.527
399 H LEU 50 HN LEU 50 6.165 2.185 -1.179
400 HA LEU 50 HA LEU 50 7.086 4.463 0.381
401 HB2 LEU 50 HB2 LEU 50 5.173 2.206 1.058
402 HB3 LEU 50 HB1 LEU 50 5.650 3.411 2.244
403 HG LEU 50 HG LEU 50 4.402 4.072 -0.443
404 HD11 LEU 50 HD11 LEU 50 2.471 4.775 1.233
405 HD12 LEU 50 HD12 LEU 50 3.217 3.569 2.282
406 HD13 LEU 50 HD13 LEU 50 2.609 3.105 0.694
407 HD21 LEU 50 HD21 LEU 50 5.448 6.063 0.129
408 HD22 LEU 50 HD22 LEU 50 5.455 5.699 1.853
409 HD23 LEU 50 HD23 LEU 50 3.979 6.267 1.076
410 H GLU 51 HN GLU 51 7.835 1.015 0.393
411 HA GLU 51 HA GLU 51 9.192 1.043 2.930
412 HB2 GLU 51 HB2 GLU 51 9.369 -0.781 0.524
413 HB3 GLU 51 HB1 GLU 51 10.428 -0.996 1.916
414 HG2 GLU 51 HG2 GLU 51 7.414 -0.851 2.128
415 HG3 GLU 51 HG1 GLU 51 8.303 -2.366 1.978
416 H VAL 52 HN VAL 52 10.145 2.005 -0.320
417 HA VAL 52 HA VAL 52 12.986 2.184 0.393
418 HB VAL 52 HB VAL 52 11.431 3.156 -2.026
419 HG11 VAL 52 HG11 VAL 52 13.341 4.582 -1.845
420 HG12 VAL 52 HG12 VAL 52 13.784 3.335 -3.012
421 HG13 VAL 52 HG13 VAL 52 14.381 3.244 -1.354
422 HG21 VAL 52 HG21 VAL 52 12.825 1.285 -3.095
423 HG22 VAL 52 HG22 VAL 52 11.522 0.769 -2.026
424 HG23 VAL 52 HG23 VAL 52 13.189 0.758 -1.451
425 H GLN 53 HN GLN 53 10.191 4.232 0.611
426 HA GLN 53 HA GLN 53 11.838 6.689 0.847
427 HB2 GLN 53 HB2 GLN 53 8.840 6.227 1.023
428 HB3 GLN 53 HB1 GLN 53 9.615 7.802 1.188
429 HG2 GLN 53 HG2 GLN 53 10.544 7.625 -1.062
430 HG3 GLN 53 HG1 GLN 53 9.887 5.996 -1.232
431 HE21 GLN 53 HE21 GLN 53 7.623 5.775 -1.701
432 HE22 GLN 53 HE22 GLN 53 6.620 7.108 -2.018
433 H THR 54 HN THR 54 10.804 4.158 2.793
434 HA THR 54 HA THR 54 11.119 5.812 5.277
435 HB THR 54 HB THR 54 8.964 4.045 4.408
436 HG1 THR 54 HG1 THR 54 9.281 5.579 6.764
437 HG21 THR 54 HG21 THR 54 10.032 2.304 5.735
438 HG22 THR 54 HG22 THR 54 8.636 2.919 6.620
439 HG23 THR 54 HG23 THR 54 10.262 3.421 7.081
440 H GLY 55 HN GLY 55 11.620 2.654 3.721
441 HA2 GLY 55 HA2 GLY 55 13.319 1.700 5.903
442 HA3 GLY 55 HA1 GLY 55 13.030 0.872 4.370
443 H MET 56 HN MET 56 15.513 0.566 4.607
444 HA MET 56 HA MET 56 16.816 2.582 2.927
445 HB2 MET 56 HB2 MET 56 18.709 2.920 4.531
446 HB3 MET 56 HB1 MET 56 17.189 3.606 5.101
447 HG2 MET 56 HG2 MET 56 18.122 0.834 5.897
448 HG3 MET 56 HG1 MET 56 18.521 2.277 6.824
449 HE1 MET 56 HE1 MET 56 17.469 1.107 8.867
450 HE2 MET 56 HE2 MET 56 16.960 -0.285 7.917
451 HE3 MET 56 HE3 MET 56 15.803 0.525 8.969
452 H THR 57 HN THR 57 16.115 -0.315 2.929
453 HA THR 57 HA THR 57 17.080 -2.321 2.236
454 HB THR 57 HB THR 57 18.419 -0.216 0.912
455 HG1 THR 57 HG1 THR 57 17.385 -2.449 0.370
456 HG21 THR 57 HG21 THR 57 20.449 -0.717 2.275
457 HG22 THR 57 HG22 THR 57 20.688 -1.062 0.564
458 HG23 THR 57 HG23 THR 57 20.401 -2.383 1.697
459 H GLN 58 HN GLN 58 18.605 -3.943 2.924
460 HA GLN 58 HA GLN 58 20.749 -3.377 4.748
461 HB2 GLN 58 HB2 GLN 58 18.700 -2.883 6.187
462 HB3 GLN 58 HB1 GLN 58 18.302 -4.595 6.056
463 HG2 GLN 58 HG2 GLN 58 19.549 -4.336 8.091
464 HG3 GLN 58 HG1 GLN 58 20.634 -5.093 6.925
465 HE21 GLN 58 HE21 GLN 58 22.644 -4.218 7.606
466 HE22 GLN 58 HE22 GLN 58 22.976 -2.555 7.650
467 H ARG 59 HN ARG 59 18.408 -5.629 3.416
468 HA ARG 59 HA ARG 59 19.568 -8.081 4.227
469 HB2 ARG 59 HB2 ARG 59 18.326 -7.517 1.520
470 HB3 ARG 59 HB1 ARG 59 18.426 -9.077 2.339
471 HG2 ARG 59 HG2 ARG 59 16.989 -8.238 4.148
472 HG3 ARG 59 HG1 ARG 59 16.908 -6.660 3.365
473 HD2 ARG 59 HD2 ARG 59 15.900 -7.761 1.356
474 HD3 ARG 59 HD1 ARG 59 15.874 -9.282 2.248
475 HE ARG 59 HE ARG 59 14.536 -7.521 3.916
476 HH11 ARG 59 HH21 ARG 59 14.315 -8.497 0.616
477 HH12 ARG 59 HH22 ARG 59 12.603 -8.256 0.522
478 HH21 ARG 59 HH11 ARG 59 12.302 -7.203 3.812
479 HH22 ARG 59 HH12 ARG 59 11.463 -7.525 2.332
480 H ARG 60 HN ARG 60 21.124 -9.441 3.190
481 HA ARG 60 HA ARG 60 22.560 -8.687 0.821
482 HB2 ARG 60 HB2 ARG 60 24.749 -8.163 2.008
483 HB3 ARG 60 HB1 ARG 60 23.519 -6.903 2.111
484 HG2 ARG 60 HG2 ARG 60 22.901 -7.589 4.341
485 HG3 ARG 60 HG1 ARG 60 23.922 -9.023 4.237
486 HD2 ARG 60 HD2 ARG 60 24.948 -7.117 5.537
487 HD3 ARG 60 HD1 ARG 60 25.927 -7.681 4.183
488 HE ARG 60 HE ARG 60 24.414 -5.629 3.095
489 HH11 ARG 60 HH21 ARG 60 26.484 -6.039 5.821
490 HH12 ARG 60 HH22 ARG 60 27.026 -4.393 5.825
491 HH21 ARG 60 HH11 ARG 60 25.109 -3.479 3.084
492 HH22 ARG 60 HH12 ARG 60 26.247 -2.944 4.275
493 H ARG 61 HN ARG 61 22.211 -10.556 3.725
494 HA ARG 61 HA ARG 61 24.350 -12.432 3.226
495 HB2 ARG 61 HB2 ARG 61 21.780 -12.997 4.722
496 HB3 ARG 61 HB1 ARG 61 23.349 -13.770 4.946
497 HG2 ARG 61 HG2 ARG 61 24.283 -11.550 5.643
498 HG3 ARG 61 HG1 ARG 61 22.650 -10.886 5.563
499 HD2 ARG 61 HD2 ARG 61 23.035 -11.500 7.855
500 HD3 ARG 61 HD1 ARG 61 21.940 -12.707 7.180
501 HE ARG 61 HE ARG 61 24.445 -13.805 6.771
502 HH11 ARG 61 HH21 ARG 61 22.711 -12.477 9.437
503 HH12 ARG 61 HH22 ARG 61 23.474 -13.494 10.612
504 HH21 ARG 61 HH11 ARG 61 25.452 -15.143 8.291
505 HH22 ARG 61 HH12 ARG 61 25.026 -15.003 9.964
506 H GLY 62 HN GLY 62 22.897 -14.903 3.396
507 HA2 GLY 62 HA2 GLY 62 20.924 -15.223 1.374
508 HA3 GLY 62 HA1 GLY 62 22.505 -15.482 0.637
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