Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504921 | 2enh RC | 10175 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.127 -30.022 -5.626
2 HA2 GLY 1 1HA GLY 1 -12.342 -27.420 -5.950
3 HA3 GLY 1 2HA GLY 1 -12.307 -28.382 -4.480
4 H SER 2 H SER 2 -11.897 -26.204 -3.545
5 HA SER 2 HA SER 2 -9.279 -25.065 -3.990
6 HB2 SER 2 1HB SER 2 -9.964 -23.459 -2.206
7 HB3 SER 2 2HB SER 2 -11.117 -23.549 -3.538
8 HG SER 2 HG SER 2 -11.336 -24.851 -1.024
9 H SER 3 H SER 3 -7.824 -26.654 -3.357
10 HA SER 3 HA SER 3 -7.740 -27.172 -0.457
11 HB2 SER 3 1HB SER 3 -7.338 -29.035 -2.764
12 HB3 SER 3 2HB SER 3 -6.428 -29.309 -1.278
13 HG SER 3 HG SER 3 -8.219 -30.350 -0.795
14 H GLY 4 H GLY 4 -5.762 -27.076 -3.419
15 HA2 GLY 4 1HA GLY 4 -3.438 -26.346 -1.770
16 HA3 GLY 4 2HA GLY 4 -3.369 -26.963 -3.414
17 H SER 5 H SER 5 -3.083 -24.245 -1.535
18 HA SER 5 HA SER 5 -3.248 -22.529 -3.904
19 HB2 SER 5 1HB SER 5 -4.290 -20.728 -2.516
20 HB3 SER 5 2HB SER 5 -5.340 -22.125 -2.756
21 HG SER 5 HG SER 5 -3.788 -21.534 -0.453
22 H SER 6 H SER 6 -1.689 -20.980 -4.030
23 HA SER 6 HA SER 6 0.449 -21.150 -2.054
24 HB2 SER 6 1HB SER 6 1.830 -20.025 -3.702
25 HB3 SER 6 2HB SER 6 0.963 -21.345 -4.487
26 HG SER 6 HG SER 6 -0.222 -19.943 -5.584
27 H GLY 7 H GLY 7 -1.822 -19.871 -1.096
28 HA2 GLY 7 1HA GLY 7 -2.639 -17.849 -0.302
29 HA3 GLY 7 2HA GLY 7 -0.967 -17.688 0.213
30 H THR 8 H THR 8 -2.430 -17.566 -3.024
31 HA THR 8 HA THR 8 -0.899 -15.733 -4.234
32 HB THR 8 HB THR 8 -2.861 -14.954 -5.524
33 HG1 THR 8 HG1 THR 8 -4.866 -15.327 -4.835
34 HG21 THR 8 3HG2 THR 8 -2.601 -16.838 -6.681
35 HG22 THR 8 1HG2 THR 8 -3.656 -17.685 -5.551
36 HG23 THR 8 2HG2 THR 8 -1.918 -17.621 -5.257
37 H GLY 9 H GLY 9 -3.527 -14.945 -1.981
38 HA2 GLY 9 1HA GLY 9 -2.203 -12.532 -1.172
39 HA3 GLY 9 2HA GLY 9 -3.616 -12.214 -2.168
40 H GLU 10 H GLU 10 -2.876 -11.850 0.790
41 HA GLU 10 HA GLU 10 -5.228 -13.215 1.922
42 HB2 GLU 10 1HB GLU 10 -4.158 -12.896 4.124
43 HB3 GLU 10 2HB GLU 10 -3.170 -13.858 3.034
44 HG2 GLU 10 1HG GLU 10 -1.863 -11.802 2.515
45 HG3 GLU 10 2HG GLU 10 -2.777 -10.970 3.771
46 H LYS 11 H LYS 11 -3.980 -10.222 0.982
47 HA LYS 11 HA LYS 11 -6.260 -8.857 2.181
48 HB2 LYS 11 1HB LYS 11 -3.382 -8.130 2.674
49 HB3 LYS 11 2HB LYS 11 -4.659 -6.926 2.777
50 HG2 LYS 11 1HG LYS 11 -4.655 -9.479 4.366
51 HG3 LYS 11 2HG LYS 11 -3.981 -7.957 4.952
52 HD2 LYS 11 1HD LYS 11 -6.214 -6.907 4.559
53 HD3 LYS 11 2HD LYS 11 -6.844 -8.512 4.181
54 HE2 LYS 11 1HE LYS 11 -6.118 -9.267 6.431
55 HE3 LYS 11 2HE LYS 11 -5.634 -7.611 6.793
56 HZ1 LYS 11 3HZ LYS 11 -7.706 -7.391 7.549
57 HZ2 LYS 11 1HZ LYS 11 -8.255 -8.791 6.775
58 HZ3 LYS 11 2HZ LYS 11 -8.182 -7.330 5.927
59 HA PRO 12 HA PRO 12 -6.421 -6.893 -1.748
60 HB2 PRO 12 1HB PRO 12 -7.761 -4.626 -1.088
61 HB3 PRO 12 2HB PRO 12 -8.537 -6.212 -1.167
62 HG2 PRO 12 1HG PRO 12 -7.539 -4.709 1.222
63 HG3 PRO 12 2HG PRO 12 -9.047 -5.620 1.024
64 HD2 PRO 12 1HD PRO 12 -6.892 -6.632 2.315
65 HD3 PRO 12 2HD PRO 12 -8.017 -7.649 1.391
66 H TYR 13 H TYR 13 -4.740 -5.556 0.902
67 HA TYR 13 HA TYR 13 -3.260 -3.794 -0.918
68 HB2 TYR 13 1HB TYR 13 -3.988 -2.969 1.893
69 HB3 TYR 13 2HB TYR 13 -3.231 -1.985 0.646
70 HD1 TYR 13 HD2 TYR 13 -4.583 -1.293 -1.352
71 HD2 TYR 13 HD1 TYR 13 -6.344 -3.150 2.047
72 HE1 TYR 13 HE2 TYR 13 -6.794 -0.485 -2.063
73 HE2 TYR 13 HE1 TYR 13 -8.560 -2.349 1.344
74 HH TYR 13 HH TYR 13 -9.705 -1.168 -0.144
75 H GLU 14 H GLU 14 -1.196 -4.354 -0.909
76 HA GLU 14 HA GLU 14 0.075 -5.119 1.615
77 HB2 GLU 14 1HB GLU 14 -0.564 -7.214 0.489
78 HB3 GLU 14 2HB GLU 14 0.323 -6.711 -0.944
79 HG2 GLU 14 1HG GLU 14 2.393 -6.948 0.109
80 HG3 GLU 14 2HG GLU 14 1.672 -6.970 1.717
81 H CYS 15 H CYS 15 1.977 -4.147 1.895
82 HA CYS 15 HA CYS 15 2.964 -2.273 0.031
83 HB2 CYS 15 1HB CYS 15 3.262 -2.352 2.598
84 HB3 CYS 15 2HB CYS 15 4.621 -3.420 2.265
85 H ASP 16 H ASP 16 4.351 -2.463 -1.607
86 HA ASP 16 HA ASP 16 5.417 -5.079 -2.247
87 HB2 ASP 16 1HB ASP 16 5.319 -2.445 -3.704
88 HB3 ASP 16 2HB ASP 16 6.274 -3.796 -4.308
89 H VAL 17 H VAL 17 6.468 -3.422 0.029
90 HA VAL 17 HA VAL 17 9.297 -3.441 -0.795
91 HB VAL 17 HB VAL 17 7.994 -1.521 1.142
92 HG11 VAL 17 1HG1 VAL 17 10.783 -2.305 0.692
93 HG12 VAL 17 2HG1 VAL 17 10.498 -0.564 0.674
94 HG13 VAL 17 3HG1 VAL 17 10.033 -1.521 2.082
95 HG21 VAL 17 3HG2 VAL 17 8.175 0.133 -0.452
96 HG22 VAL 17 1HG2 VAL 17 9.442 -0.713 -1.340
97 HG23 VAL 17 2HG2 VAL 17 7.770 -1.263 -1.451
98 H CYS 18 H CYS 18 7.191 -3.467 2.085
99 HA CYS 18 HA CYS 18 9.092 -5.325 3.351
100 HB2 CYS 18 1HB CYS 18 8.039 -4.599 5.502
101 HB3 CYS 18 2HB CYS 18 8.868 -3.306 4.641
102 H ARG 19 H ARG 19 6.256 -5.321 1.721
103 HA ARG 19 HA ARG 19 4.544 -6.798 1.482
104 HB2 ARG 19 1HB ARG 19 6.498 -8.476 3.044
105 HB3 ARG 19 2HB ARG 19 4.940 -9.107 2.530
106 HG2 ARG 19 1HG ARG 19 6.474 -9.800 0.898
107 HG3 ARG 19 2HG ARG 19 5.602 -8.445 0.178
108 HD2 ARG 19 1HD ARG 19 7.936 -8.191 -0.306
109 HD3 ARG 19 2HD ARG 19 7.470 -6.956 0.863
110 HE ARG 19 HE ARG 19 8.844 -7.944 2.420
111 HH11 ARG 19 1HH1 ARG 19 8.466 -10.054 -0.323
112 HH12 ARG 19 2HH1 ARG 19 9.711 -11.148 0.182
113 HH21 ARG 19 1HH2 ARG 19 10.485 -9.377 3.095
114 HH22 ARG 19 2HH2 ARG 19 10.859 -10.762 2.127
115 H LYS 20 H LYS 20 4.078 -4.887 3.345
116 HA LYS 20 HA LYS 20 3.150 -6.106 5.804
117 HB2 LYS 20 1HB LYS 20 3.398 -3.337 4.746
118 HB3 LYS 20 2HB LYS 20 2.174 -3.623 5.976
119 HG2 LYS 20 1HG LYS 20 4.915 -4.649 6.471
120 HG3 LYS 20 2HG LYS 20 4.634 -2.911 6.598
121 HD2 LYS 20 1HD LYS 20 4.175 -3.546 8.749
122 HD3 LYS 20 2HD LYS 20 2.567 -3.701 8.038
123 HE2 LYS 20 1HE LYS 20 2.758 -6.045 7.871
124 HE3 LYS 20 2HE LYS 20 4.498 -6.002 8.154
125 HZ1 LYS 20 3HZ LYS 20 3.609 -6.695 10.168
126 HZ2 LYS 20 1HZ LYS 20 2.308 -5.616 10.096
127 HZ3 LYS 20 2HZ LYS 20 3.866 -5.041 10.417
128 H ALA 21 H ALA 21 0.876 -5.498 6.548
129 HA ALA 21 HA ALA 21 -1.037 -5.696 4.319
130 HB1 ALA 21 3HB ALA 21 -1.196 -7.864 4.987
131 HB2 ALA 21 1HB ALA 21 -0.696 -7.509 6.641
132 HB3 ALA 21 2HB ALA 21 -2.342 -7.149 6.120
133 H PHE 22 H PHE 22 -2.649 -4.270 4.415
134 HA PHE 22 HA PHE 22 -3.232 -2.991 7.004
135 HB2 PHE 22 1HB PHE 22 -3.204 -1.672 4.280
136 HB3 PHE 22 2HB PHE 22 -3.670 -0.892 5.788
137 HD1 PHE 22 HD2 PHE 22 -2.005 -0.302 7.451
138 HD2 PHE 22 HD1 PHE 22 -0.897 -2.130 3.770
139 HE1 PHE 22 HE2 PHE 22 0.338 0.339 7.842
140 HE2 PHE 22 HE1 PHE 22 1.448 -1.492 4.156
141 HZ PHE 22 HZ PHE 22 2.068 -0.255 6.193
142 H SER 23 H SER 23 -5.413 -2.002 7.108
143 HA SER 23 HA SER 23 -7.358 -3.843 5.972
144 HB2 SER 23 1HB SER 23 -8.951 -2.644 7.515
145 HB3 SER 23 2HB SER 23 -7.596 -3.429 8.326
146 HG SER 23 HG SER 23 -7.875 -0.672 7.716
147 H HIS 24 H HIS 24 -6.742 -0.349 6.073
148 HA HIS 24 HA HIS 24 -8.775 0.062 4.005
149 HB2 HIS 24 1HB HIS 24 -8.892 1.548 5.938
150 HB3 HIS 24 2HB HIS 24 -7.225 2.053 5.676
151 HD1 HIS 24 HD1 HIS 24 -10.113 1.845 3.205
152 HD2 HIS 24 HD2 HIS 24 -7.432 4.598 4.786
153 HE1 HIS 24 HE1 HIS 24 -10.545 3.991 1.968
154 H HIS 25 H HIS 25 -8.286 1.339 2.123
155 HA HIS 25 HA HIS 25 -5.915 0.533 0.822
156 HB2 HIS 25 1HB HIS 25 -7.988 1.028 -0.396
157 HB3 HIS 25 2HB HIS 25 -7.864 2.722 0.068
158 HD1 HIS 25 HD1 HIS 25 -7.774 3.401 -2.442
159 HD2 HIS 25 HD2 HIS 25 -4.624 0.996 -1.192
160 HE1 HIS 25 HE1 HIS 25 -6.053 3.542 -4.271
161 H ALA 26 H ALA 26 -6.960 3.772 1.893
162 HA ALA 26 HA ALA 26 -4.739 5.235 1.240
163 HB1 ALA 26 3HB ALA 26 -7.018 5.753 2.610
164 HB2 ALA 26 1HB ALA 26 -5.817 5.871 3.897
165 HB3 ALA 26 2HB ALA 26 -5.670 6.879 2.457
166 H SER 27 H SER 27 -5.256 3.416 4.255
167 HA SER 27 HA SER 27 -3.029 4.018 5.682
168 HB2 SER 27 1HB SER 27 -4.450 1.389 5.318
169 HB3 SER 27 2HB SER 27 -3.070 1.537 6.405
170 HG SER 27 HG SER 27 -4.206 2.842 7.703
171 H LEU 28 H LEU 28 -3.180 2.148 2.748
172 HA LEU 28 HA LEU 28 -0.494 1.136 2.959
173 HB2 LEU 28 1HB LEU 28 -2.207 -0.107 1.755
174 HB3 LEU 28 2HB LEU 28 -2.400 1.230 0.624
175 HG LEU 28 HG LEU 28 0.001 0.845 -0.055
176 HD11 LEU 28 1HD1 LEU 28 -0.253 -1.146 2.042
177 HD12 LEU 28 2HD1 LEU 28 1.190 -0.493 1.268
178 HD13 LEU 28 3HD1 LEU 28 0.319 -1.832 0.521
179 HD21 LEU 28 3HD2 LEU 28 -1.200 -1.685 -0.772
180 HD22 LEU 28 1HD2 LEU 28 -0.850 -0.277 -1.776
181 HD23 LEU 28 2HD2 LEU 28 -2.364 -0.363 -0.876
182 H THR 29 H THR 29 -2.100 3.487 0.811
183 HA THR 29 HA THR 29 0.199 4.379 -0.499
184 HB THR 29 HB THR 29 -2.272 4.869 -1.052
185 HG1 THR 29 HG1 THR 29 -0.151 6.741 -1.278
186 HG21 THR 29 3HG2 THR 29 -3.418 6.365 0.148
187 HG22 THR 29 1HG2 THR 29 -2.087 7.521 0.104
188 HG23 THR 29 2HG2 THR 29 -2.127 6.268 1.345
189 H GLN 30 H GLN 30 -0.957 5.021 2.680
190 HA GLN 30 HA GLN 30 0.606 7.435 3.019
191 HB2 GLN 30 1HB GLN 30 -1.640 6.889 4.156
192 HB3 GLN 30 2HB GLN 30 -0.695 5.867 5.231
193 HG2 GLN 30 1HG GLN 30 -0.962 7.930 6.332
194 HG3 GLN 30 2HG GLN 30 0.702 7.888 5.751
195 HE21 GLN 30 1HE2 GLN 30 1.256 9.145 3.916
196 HE22 GLN 30 2HE2 GLN 30 0.325 10.535 3.483
197 H HIS 31 H HIS 31 0.680 4.094 4.219
198 HA HIS 31 HA HIS 31 2.937 4.312 5.844
199 HB2 HIS 31 1HB HIS 31 1.790 2.321 6.142
200 HB3 HIS 31 2HB HIS 31 1.608 2.046 4.412
201 HD1 HIS 31 HD1 HIS 31 3.882 1.403 7.272
202 HD2 HIS 31 HD2 HIS 31 3.852 0.854 3.153
203 HE1 HIS 31 HE1 HIS 31 5.780 -0.175 6.790
204 H GLN 32 H GLN 32 2.684 3.463 2.407
205 HA GLN 32 HA GLN 32 5.155 2.727 1.695
206 HB2 GLN 32 1HB GLN 32 3.358 4.726 0.336
207 HB3 GLN 32 2HB GLN 32 4.855 4.167 -0.398
208 HG2 GLN 32 1HG GLN 32 3.892 1.804 -0.001
209 HG3 GLN 32 2HG GLN 32 2.351 2.643 0.174
210 HE21 GLN 32 1HE2 GLN 32 3.140 0.748 -1.852
211 HE22 GLN 32 2HE2 GLN 32 3.009 1.562 -3.371
212 H ARG 33 H ARG 33 4.269 5.890 2.860
213 HA ARG 33 HA ARG 33 6.359 7.473 2.061
214 HB2 ARG 33 1HB ARG 33 4.721 7.374 4.561
215 HB3 ARG 33 2HB ARG 33 6.094 8.471 4.485
216 HG2 ARG 33 1HG ARG 33 5.121 9.462 2.429
217 HG3 ARG 33 2HG ARG 33 3.703 8.436 2.658
218 HD2 ARG 33 1HD ARG 33 3.045 9.559 4.581
219 HD3 ARG 33 2HD ARG 33 4.656 10.218 4.864
220 HE ARG 33 HE ARG 33 2.606 11.300 3.132
221 HH11 ARG 33 1HH1 ARG 33 5.973 11.294 4.017
222 HH12 ARG 33 2HH1 ARG 33 6.286 12.861 3.346
223 HH21 ARG 33 1HH2 ARG 33 3.006 13.363 2.245
224 HH22 ARG 33 2HH2 ARG 33 4.597 14.037 2.339
225 H VAL 34 H VAL 34 6.292 5.435 4.986
226 HA VAL 34 HA VAL 34 8.695 5.877 6.106
227 HB VAL 34 HB VAL 34 8.820 3.461 6.699
228 HG11 VAL 34 1HG1 VAL 34 6.200 3.550 7.473
229 HG12 VAL 34 2HG1 VAL 34 7.537 4.340 8.312
230 HG13 VAL 34 3HG1 VAL 34 6.554 5.249 7.163
231 HG21 VAL 34 3HG2 VAL 34 6.272 2.659 5.683
232 HG22 VAL 34 1HG2 VAL 34 7.299 3.171 4.344
233 HG23 VAL 34 2HG2 VAL 34 7.849 1.907 5.444
234 H HIS 35 H HIS 35 8.157 4.433 2.997
235 HA HIS 35 HA HIS 35 11.001 3.754 2.751
236 HB2 HIS 35 1HB HIS 35 8.825 3.115 0.762
237 HB3 HIS 35 2HB HIS 35 10.418 2.377 0.898
238 HD1 HIS 35 HD1 HIS 35 10.670 1.277 3.550
239 HD2 HIS 35 HD2 HIS 35 6.957 1.416 1.690
240 HE1 HIS 35 HE1 HIS 35 9.267 -0.453 4.718
241 H SER 36 H SER 36 12.325 4.723 1.280
242 HA SER 36 HA SER 36 11.733 7.340 0.449
243 HB2 SER 36 1HB SER 36 14.032 6.188 0.820
244 HB3 SER 36 2HB SER 36 13.871 5.679 -0.861
245 HG SER 36 HG SER 36 14.531 8.106 0.149
246 H GLY 37 H GLY 37 12.087 4.362 -1.485
247 HA2 GLY 37 1HA GLY 37 11.032 3.730 -3.434
248 HA3 GLY 37 2HA GLY 37 9.949 5.099 -3.231
249 H GLU 38 H GLU 38 10.875 4.327 -5.727
250 HA GLU 38 HA GLU 38 12.997 6.223 -6.405
251 HB2 GLU 38 1HB GLU 38 11.728 3.914 -7.846
252 HB3 GLU 38 2HB GLU 38 12.659 5.116 -8.728
253 HG2 GLU 38 1HG GLU 38 14.303 3.616 -8.315
254 HG3 GLU 38 2HG GLU 38 14.443 4.590 -6.853
255 H LYS 39 H LYS 39 11.676 8.101 -6.046
256 HA LYS 39 HA LYS 39 10.035 8.737 -8.388
257 HB2 LYS 39 1HB LYS 39 9.219 9.143 -5.509
258 HB3 LYS 39 2HB LYS 39 8.434 9.952 -6.859
259 HG2 LYS 39 1HG LYS 39 8.645 6.962 -6.651
260 HG3 LYS 39 2HG LYS 39 7.294 7.884 -5.986
261 HD2 LYS 39 1HD LYS 39 6.776 8.758 -8.195
262 HD3 LYS 39 2HD LYS 39 8.165 7.907 -8.876
263 HE2 LYS 39 1HE LYS 39 6.352 6.528 -9.385
264 HE3 LYS 39 2HE LYS 39 7.068 5.781 -7.957
265 HZ1 LYS 39 3HZ LYS 39 5.240 6.161 -6.762
266 HZ2 LYS 39 1HZ LYS 39 4.459 6.432 -8.239
267 HZ3 LYS 39 2HZ LYS 39 5.053 7.738 -7.343
268 HA PRO 40 HA PRO 40 12.424 12.434 -8.394
269 HB2 PRO 40 1HB PRO 40 10.774 14.016 -9.858
270 HB3 PRO 40 2HB PRO 40 11.725 12.705 -10.566
271 HG2 PRO 40 1HG PRO 40 8.839 12.736 -9.772
272 HG3 PRO 40 2HG PRO 40 9.591 12.061 -11.229
273 HD2 PRO 40 1HD PRO 40 8.869 10.526 -9.118
274 HD3 PRO 40 2HD PRO 40 10.266 10.142 -10.144
275 H SER 41 H SER 41 12.305 14.736 -7.801
276 HA SER 41 HA SER 41 10.973 15.095 -5.324
277 HB2 SER 41 1HB SER 41 13.133 16.168 -5.844
278 HB3 SER 41 2HB SER 41 12.341 17.156 -7.072
279 HG SER 41 HG SER 41 12.588 17.686 -4.511
280 H GLY 42 H GLY 42 9.035 15.927 -4.859
281 HA2 GLY 42 1HA GLY 42 7.475 17.059 -7.090
282 HA3 GLY 42 2HA GLY 42 6.788 16.246 -5.692
283 HA PRO 43 HA PRO 43 6.526 20.860 -5.084
284 HB2 PRO 43 1HB PRO 43 3.875 20.889 -4.499
285 HB3 PRO 43 2HB PRO 43 4.496 21.003 -6.150
286 HG2 PRO 43 1HG PRO 43 3.415 18.622 -4.693
287 HG3 PRO 43 2HG PRO 43 3.119 19.141 -6.362
288 HD2 PRO 43 1HD PRO 43 4.867 17.170 -5.739
289 HD3 PRO 43 2HD PRO 43 5.105 18.254 -7.124
290 H SER 44 H SER 44 7.697 20.800 -3.178
291 HA SER 44 HA SER 44 7.139 19.401 -0.866
292 HB2 SER 44 1HB SER 44 8.417 21.220 0.315
293 HB3 SER 44 2HB SER 44 9.237 20.555 -1.097
294 HG SER 44 HG SER 44 8.995 22.401 -2.128
295 H SER 45 H SER 45 6.098 19.923 1.088
296 HA SER 45 HA SER 45 3.656 21.414 0.732
297 HB2 SER 45 1HB SER 45 4.107 19.188 2.091
298 HB3 SER 45 2HB SER 45 4.477 20.320 3.392
299 HG SER 45 HG SER 45 2.384 21.266 2.967
300 H GLY 46 H GLY 46 2.925 23.066 2.236
301 HA2 GLY 46 1HA GLY 46 3.871 24.474 4.174
302 HA3 GLY 46 2HA GLY 46 5.160 24.813 3.028
Start of MODEL 2
1 H1 GLY 1 H GLY 1 10.454 -22.833 -4.834
2 HA2 GLY 1 1HA GLY 1 13.253 -22.515 -5.360
3 HA3 GLY 1 2HA GLY 1 12.312 -22.623 -6.841
4 H SER 2 H SER 2 10.224 -21.172 -6.683
5 HA SER 2 HA SER 2 10.513 -18.735 -5.205
6 HB2 SER 2 1HB SER 2 10.876 -17.234 -7.083
7 HB3 SER 2 2HB SER 2 12.195 -18.401 -7.007
8 HG SER 2 HG SER 2 10.580 -19.585 -8.543
9 H SER 3 H SER 3 8.571 -17.821 -4.932
10 HA SER 3 HA SER 3 6.444 -18.408 -6.871
11 HB2 SER 3 1HB SER 3 4.870 -18.688 -4.913
12 HB3 SER 3 2HB SER 3 6.047 -19.986 -5.112
13 HG SER 3 HG SER 3 5.734 -19.055 -2.919
14 H GLY 4 H GLY 4 4.660 -16.907 -6.827
15 HA2 GLY 4 1HA GLY 4 4.614 -14.600 -5.197
16 HA3 GLY 4 2HA GLY 4 5.442 -14.229 -6.702
17 H SER 5 H SER 5 2.484 -15.911 -5.632
18 HA SER 5 HA SER 5 1.038 -14.483 -7.766
19 HB2 SER 5 1HB SER 5 1.390 -16.957 -8.200
20 HB3 SER 5 2HB SER 5 0.358 -17.267 -6.804
21 HG SER 5 HG SER 5 -1.158 -17.158 -8.272
22 H SER 6 H SER 6 -0.246 -13.035 -6.844
23 HA SER 6 HA SER 6 -1.492 -13.674 -4.260
24 HB2 SER 6 1HB SER 6 -0.803 -11.078 -5.615
25 HB3 SER 6 2HB SER 6 -1.990 -11.131 -4.312
26 HG SER 6 HG SER 6 -0.319 -11.052 -3.049
27 H GLY 7 H GLY 7 -3.149 -14.977 -5.187
28 HA2 GLY 7 1HA GLY 7 -4.990 -13.748 -7.068
29 HA3 GLY 7 2HA GLY 7 -5.090 -15.379 -6.422
30 H THR 8 H THR 8 -6.781 -15.722 -5.164
31 HA THR 8 HA THR 8 -8.484 -13.665 -4.263
32 HB THR 8 HB THR 8 -9.212 -16.014 -4.689
33 HG1 THR 8 HG1 THR 8 -9.819 -15.253 -2.021
34 HG21 THR 8 3HG2 THR 8 -7.142 -16.689 -2.997
35 HG22 THR 8 1HG2 THR 8 -8.422 -17.771 -3.545
36 HG23 THR 8 2HG2 THR 8 -8.574 -16.937 -1.998
37 H GLY 9 H GLY 9 -8.927 -12.913 -2.162
38 HA2 GLY 9 1HA GLY 9 -7.679 -13.686 0.195
39 HA3 GLY 9 2HA GLY 9 -6.634 -12.482 -0.544
40 H GLU 10 H GLU 10 -7.480 -11.754 1.807
41 HA GLU 10 HA GLU 10 -9.884 -10.107 1.415
42 HB2 GLU 10 1HB GLU 10 -10.049 -11.560 3.336
43 HB3 GLU 10 2HB GLU 10 -8.490 -11.013 3.937
44 HG2 GLU 10 1HG GLU 10 -9.331 -8.906 4.528
45 HG3 GLU 10 2HG GLU 10 -10.796 -9.132 3.574
46 H LYS 11 H LYS 11 -6.472 -10.004 1.915
47 HA LYS 11 HA LYS 11 -6.584 -7.082 2.266
48 HB2 LYS 11 1HB LYS 11 -4.421 -9.065 2.982
49 HB3 LYS 11 2HB LYS 11 -4.212 -7.321 3.064
50 HG2 LYS 11 1HG LYS 11 -5.673 -7.099 4.850
51 HG3 LYS 11 2HG LYS 11 -6.451 -8.651 4.533
52 HD2 LYS 11 1HD LYS 11 -4.382 -9.803 5.207
53 HD3 LYS 11 2HD LYS 11 -3.644 -8.240 5.565
54 HE2 LYS 11 1HE LYS 11 -6.220 -9.086 6.849
55 HE3 LYS 11 2HE LYS 11 -4.662 -9.584 7.507
56 HZ1 LYS 11 3HZ LYS 11 -5.644 -6.806 7.153
57 HZ2 LYS 11 1HZ LYS 11 -4.060 -7.196 7.602
58 HZ3 LYS 11 2HZ LYS 11 -5.352 -7.607 8.614
59 HA PRO 12 HA PRO 12 -5.122 -7.711 -2.063
60 HB2 PRO 12 1HB PRO 12 -6.431 -5.545 -3.046
61 HB3 PRO 12 2HB PRO 12 -7.193 -7.130 -2.870
62 HG2 PRO 12 1HG PRO 12 -7.365 -4.737 -1.080
63 HG3 PRO 12 2HG PRO 12 -8.654 -5.835 -1.606
64 HD2 PRO 12 1HD PRO 12 -7.485 -6.021 0.829
65 HD3 PRO 12 2HD PRO 12 -8.095 -7.439 -0.048
66 H TYR 13 H TYR 13 -4.499 -5.640 0.422
67 HA TYR 13 HA TYR 13 -2.758 -3.919 -1.213
68 HB2 TYR 13 1HB TYR 13 -3.719 -3.412 1.608
69 HB3 TYR 13 2HB TYR 13 -2.829 -2.295 0.580
70 HD1 TYR 13 HD1 TYR 13 -6.088 -3.840 1.231
71 HD2 TYR 13 HD2 TYR 13 -3.939 -1.102 -1.216
72 HE1 TYR 13 HE1 TYR 13 -8.213 -2.938 0.385
73 HE2 TYR 13 HE2 TYR 13 -6.058 -0.192 -2.069
74 HH TYR 13 HH TYR 13 -8.286 -0.503 -2.172
75 H GLU 14 H GLU 14 -0.627 -4.149 -1.034
76 HA GLU 14 HA GLU 14 0.559 -5.147 1.423
77 HB2 GLU 14 1HB GLU 14 -0.054 -7.099 -0.181
78 HB3 GLU 14 2HB GLU 14 1.312 -6.532 -1.131
79 HG2 GLU 14 1HG GLU 14 2.797 -6.867 0.756
80 HG3 GLU 14 2HG GLU 14 1.436 -7.371 1.757
81 H CYS 15 H CYS 15 2.651 -4.483 1.727
82 HA CYS 15 HA CYS 15 3.579 -2.386 -0.035
83 HB2 CYS 15 1HB CYS 15 3.646 -2.250 2.486
84 HB3 CYS 15 2HB CYS 15 4.934 -3.449 2.446
85 H ASP 16 H ASP 16 5.229 -2.487 -1.443
86 HA ASP 16 HA ASP 16 6.443 -5.093 -1.913
87 HB2 ASP 16 1HB ASP 16 6.589 -2.535 -3.522
88 HB3 ASP 16 2HB ASP 16 7.255 -4.089 -4.015
89 H VAL 17 H VAL 17 7.203 -3.381 0.386
90 HA VAL 17 HA VAL 17 10.086 -3.256 -0.189
91 HB VAL 17 HB VAL 17 8.543 -1.249 1.462
92 HG11 VAL 17 1HG1 VAL 17 10.652 -1.534 2.491
93 HG12 VAL 17 2HG1 VAL 17 11.486 -1.595 0.936
94 HG13 VAL 17 3HG1 VAL 17 10.784 -0.079 1.505
95 HG21 VAL 17 3HG2 VAL 17 10.148 -0.532 -0.942
96 HG22 VAL 17 1HG2 VAL 17 8.547 -1.236 -1.170
97 HG23 VAL 17 2HG2 VAL 17 8.730 0.260 -0.253
98 H CYS 18 H CYS 18 7.575 -3.457 2.305
99 HA CYS 18 HA CYS 18 9.474 -4.966 3.981
100 HB2 CYS 18 1HB CYS 18 8.164 -4.201 5.934
101 HB3 CYS 18 2HB CYS 18 8.874 -2.860 5.041
102 H ARG 19 H ARG 19 6.748 -5.195 2.092
103 HA ARG 19 HA ARG 19 5.196 -6.821 1.747
104 HB2 ARG 19 1HB ARG 19 7.157 -8.326 3.471
105 HB3 ARG 19 2HB ARG 19 5.704 -9.083 2.831
106 HG2 ARG 19 1HG ARG 19 7.616 -9.575 1.431
107 HG3 ARG 19 2HG ARG 19 6.448 -8.584 0.556
108 HD2 ARG 19 1HD ARG 19 7.808 -6.739 0.554
109 HD3 ARG 19 2HD ARG 19 8.641 -7.220 2.031
110 HE ARG 19 HE ARG 19 9.464 -9.095 0.311
111 HH11 ARG 19 1HH1 ARG 19 9.279 -5.630 0.032
112 HH12 ARG 19 2HH1 ARG 19 10.627 -5.515 -1.051
113 HH21 ARG 19 1HH2 ARG 19 11.240 -8.956 -1.113
114 HH22 ARG 19 2HH2 ARG 19 11.741 -7.408 -1.702
115 H LYS 20 H LYS 20 4.457 -4.940 3.560
116 HA LYS 20 HA LYS 20 3.315 -6.359 5.851
117 HB2 LYS 20 1HB LYS 20 3.871 -3.504 5.205
118 HB3 LYS 20 2HB LYS 20 2.529 -3.851 6.289
119 HG2 LYS 20 1HG LYS 20 4.171 -5.232 7.642
120 HG3 LYS 20 2HG LYS 20 5.438 -4.484 6.668
121 HD2 LYS 20 1HD LYS 20 4.150 -2.274 7.374
122 HD3 LYS 20 2HD LYS 20 3.663 -3.290 8.733
123 HE2 LYS 20 1HE LYS 20 6.507 -2.798 7.854
124 HE3 LYS 20 2HE LYS 20 5.705 -1.989 9.200
125 HZ1 LYS 20 3HZ LYS 20 6.633 -3.654 10.364
126 HZ2 LYS 20 1HZ LYS 20 6.773 -4.681 9.027
127 HZ3 LYS 20 2HZ LYS 20 5.293 -4.539 9.834
128 H ALA 21 H ALA 21 1.131 -6.542 6.209
129 HA ALA 21 HA ALA 21 -0.585 -5.909 3.903
130 HB1 ALA 21 3HB ALA 21 -0.194 -8.318 5.152
131 HB2 ALA 21 1HB ALA 21 -1.692 -7.742 5.885
132 HB3 ALA 21 2HB ALA 21 -1.572 -7.901 4.132
133 H PHE 22 H PHE 22 -2.310 -4.607 4.131
134 HA PHE 22 HA PHE 22 -2.992 -3.707 6.853
135 HB2 PHE 22 1HB PHE 22 -3.100 -2.042 4.330
136 HB3 PHE 22 2HB PHE 22 -3.447 -1.491 5.966
137 HD1 PHE 22 HD1 PHE 22 -0.755 -2.793 3.782
138 HD2 PHE 22 HD2 PHE 22 -1.740 -0.703 7.357
139 HE1 PHE 22 HE1 PHE 22 1.609 -2.176 4.069
140 HE2 PHE 22 HE2 PHE 22 0.622 -0.081 7.649
141 HZ PHE 22 HZ PHE 22 2.300 -0.818 6.003
142 H SER 23 H SER 23 -5.202 -2.990 7.157
143 HA SER 23 HA SER 23 -7.061 -4.757 5.867
144 HB2 SER 23 1HB SER 23 -7.472 -4.425 8.168
145 HB3 SER 23 2HB SER 23 -7.310 -2.675 8.032
146 HG SER 23 HG SER 23 -9.313 -3.888 6.527
147 H HIS 24 H HIS 24 -6.636 -1.232 6.023
148 HA HIS 24 HA HIS 24 -8.533 -0.953 3.796
149 HB2 HIS 24 1HB HIS 24 -8.136 1.587 4.512
150 HB3 HIS 24 2HB HIS 24 -9.309 0.558 5.328
151 HD1 HIS 24 HD1 HIS 24 -6.686 2.828 6.067
152 HD2 HIS 24 HD2 HIS 24 -7.953 -0.778 7.697
153 HE1 HIS 24 HE1 HIS 24 -5.717 2.761 8.387
154 H HIS 25 H HIS 25 -7.912 1.143 2.446
155 HA HIS 25 HA HIS 25 -5.333 0.524 1.266
156 HB2 HIS 25 1HB HIS 25 -6.047 2.073 -0.527
157 HB3 HIS 25 2HB HIS 25 -7.229 0.801 -0.231
158 HD1 HIS 25 HD1 HIS 25 -6.818 4.455 -0.269
159 HD2 HIS 25 HD2 HIS 25 -9.593 1.703 1.140
160 HE1 HIS 25 HE1 HIS 25 -8.897 5.784 0.215
161 H ALA 26 H ALA 26 -6.997 3.476 2.380
162 HA ALA 26 HA ALA 26 -5.076 5.355 2.136
163 HB1 ALA 26 3HB ALA 26 -7.411 5.477 3.252
164 HB2 ALA 26 1HB ALA 26 -6.524 5.182 4.748
165 HB3 ALA 26 2HB ALA 26 -6.151 6.599 3.766
166 H SER 27 H SER 27 -4.971 2.610 4.238
167 HA SER 27 HA SER 27 -2.983 3.561 6.033
168 HB2 SER 27 1HB SER 27 -2.679 1.104 6.546
169 HB3 SER 27 2HB SER 27 -4.328 1.702 6.724
170 HG SER 27 HG SER 27 -4.698 0.004 5.500
171 H LEU 28 H LEU 28 -2.845 1.537 3.117
172 HA LEU 28 HA LEU 28 -0.003 1.276 3.180
173 HB2 LEU 28 1HB LEU 28 -1.378 -0.400 2.106
174 HB3 LEU 28 2HB LEU 28 -2.000 0.799 0.973
175 HG LEU 28 HG LEU 28 0.331 1.031 0.079
176 HD11 LEU 28 1HD1 LEU 28 0.789 -1.336 1.883
177 HD12 LEU 28 2HD1 LEU 28 1.623 0.217 1.912
178 HD13 LEU 28 3HD1 LEU 28 1.858 -0.884 0.554
179 HD21 LEU 28 3HD2 LEU 28 -0.246 -1.810 -0.324
180 HD22 LEU 28 1HD2 LEU 28 -0.170 -0.488 -1.489
181 HD23 LEU 28 2HD2 LEU 28 -1.638 -0.749 -0.547
182 H THR 29 H THR 29 -2.212 3.095 1.053
183 HA THR 29 HA THR 29 -0.478 4.392 -0.577
184 HB THR 29 HB THR 29 -3.062 4.652 -0.333
185 HG1 THR 29 HG1 THR 29 -1.817 7.070 -1.031
186 HG21 THR 29 3HG2 THR 29 -3.061 5.689 1.869
187 HG22 THR 29 1HG2 THR 29 -3.717 6.805 0.673
188 HG23 THR 29 2HG2 THR 29 -2.070 7.015 1.265
189 H GLN 30 H GLN 30 -1.139 5.163 2.798
190 HA GLN 30 HA GLN 30 0.571 7.494 2.753
191 HB2 GLN 30 1HB GLN 30 -1.335 7.610 4.193
192 HB3 GLN 30 2HB GLN 30 -0.922 6.083 4.963
193 HG2 GLN 30 1HG GLN 30 1.002 8.349 5.116
194 HG3 GLN 30 2HG GLN 30 -0.430 8.359 6.144
195 HE21 GLN 30 1HE2 GLN 30 2.619 7.877 6.443
196 HE22 GLN 30 2HE2 GLN 30 2.686 6.506 7.492
197 H HIS 31 H HIS 31 0.597 4.505 4.705
198 HA HIS 31 HA HIS 31 3.021 4.629 5.871
199 HB2 HIS 31 1HB HIS 31 1.907 2.687 6.411
200 HB3 HIS 31 2HB HIS 31 1.472 2.345 4.739
201 HD1 HIS 31 HD1 HIS 31 4.197 1.843 7.241
202 HD2 HIS 31 HD2 HIS 31 3.371 0.883 3.284
203 HE1 HIS 31 HE1 HIS 31 5.922 0.131 6.590
204 H GLN 32 H GLN 32 2.539 3.203 2.635
205 HA GLN 32 HA GLN 32 4.995 2.544 1.843
206 HB2 GLN 32 1HB GLN 32 2.849 4.017 0.359
207 HB3 GLN 32 2HB GLN 32 4.382 3.675 -0.433
208 HG2 GLN 32 1HG GLN 32 2.835 1.493 0.902
209 HG3 GLN 32 2HG GLN 32 2.420 2.033 -0.724
210 HE21 GLN 32 1HE2 GLN 32 3.176 0.639 -2.138
211 HE22 GLN 32 2HE2 GLN 32 4.741 -0.091 -2.115
212 H ARG 33 H ARG 33 3.858 5.867 2.173
213 HA ARG 33 HA ARG 33 5.839 7.322 1.008
214 HB2 ARG 33 1HB ARG 33 4.430 7.807 3.632
215 HB3 ARG 33 2HB ARG 33 5.492 8.993 2.884
216 HG2 ARG 33 1HG ARG 33 4.014 8.866 0.849
217 HG3 ARG 33 2HG ARG 33 2.890 7.923 1.831
218 HD2 ARG 33 1HD ARG 33 2.168 10.190 1.904
219 HD3 ARG 33 2HD ARG 33 2.878 9.812 3.473
220 HE ARG 33 HE ARG 33 4.716 11.008 1.608
221 HH11 ARG 33 1HH1 ARG 33 2.317 11.596 4.061
222 HH12 ARG 33 2HH1 ARG 33 2.920 13.172 4.457
223 HH21 ARG 33 1HH2 ARG 33 5.519 13.081 2.121
224 HH22 ARG 33 2HH2 ARG 33 4.741 14.015 3.353
225 H VAL 34 H VAL 34 5.928 6.161 4.381
226 HA VAL 34 HA VAL 34 8.298 7.006 5.289
227 HB VAL 34 HB VAL 34 8.585 4.898 6.522
228 HG11 VAL 34 1HG1 VAL 34 7.109 6.204 7.674
229 HG12 VAL 34 2HG1 VAL 34 5.950 6.262 6.345
230 HG13 VAL 34 3HG1 VAL 34 6.076 4.814 7.345
231 HG21 VAL 34 3HG2 VAL 34 7.014 3.864 4.317
232 HG22 VAL 34 1HG2 VAL 34 8.015 3.007 5.489
233 HG23 VAL 34 2HG2 VAL 34 6.341 3.401 5.879
234 H HIS 35 H HIS 35 7.859 4.609 2.773
235 HA HIS 35 HA HIS 35 10.709 4.045 2.639
236 HB2 HIS 35 1HB HIS 35 8.503 3.049 0.827
237 HB3 HIS 35 2HB HIS 35 10.135 2.401 0.962
238 HD1 HIS 35 HD1 HIS 35 10.371 2.151 4.006
239 HD2 HIS 35 HD2 HIS 35 7.012 1.016 1.840
240 HE1 HIS 35 HE1 HIS 35 9.186 0.460 5.441
241 H SER 36 H SER 36 11.895 5.620 1.752
242 HA SER 36 HA SER 36 10.869 7.313 -0.338
243 HB2 SER 36 1HB SER 36 13.409 7.153 1.229
244 HB3 SER 36 2HB SER 36 13.413 8.042 -0.294
245 HG SER 36 HG SER 36 11.455 8.497 1.691
246 H GLY 37 H GLY 37 10.459 5.977 -2.098
247 HA2 GLY 37 1HA GLY 37 12.326 4.109 -3.135
248 HA3 GLY 37 2HA GLY 37 10.926 4.749 -3.984
249 H GLU 38 H GLU 38 12.801 4.398 -5.662
250 HA GLU 38 HA GLU 38 14.459 6.813 -5.821
251 HB2 GLU 38 1HB GLU 38 15.718 5.611 -7.557
252 HB3 GLU 38 2HB GLU 38 15.660 4.706 -6.051
253 HG2 GLU 38 1HG GLU 38 15.214 3.033 -7.514
254 HG3 GLU 38 2HG GLU 38 13.571 3.587 -7.200
255 H LYS 39 H LYS 39 11.730 7.144 -6.290
256 HA LYS 39 HA LYS 39 11.792 8.334 -8.888
257 HB2 LYS 39 1HB LYS 39 10.035 7.088 -9.941
258 HB3 LYS 39 2HB LYS 39 11.271 5.948 -9.427
259 HG2 LYS 39 1HG LYS 39 9.957 5.170 -7.636
260 HG3 LYS 39 2HG LYS 39 8.830 6.522 -7.777
261 HD2 LYS 39 1HD LYS 39 7.634 4.846 -8.803
262 HD3 LYS 39 2HD LYS 39 8.461 5.563 -10.189
263 HE2 LYS 39 1HE LYS 39 8.747 3.249 -10.445
264 HE3 LYS 39 2HE LYS 39 10.280 3.825 -9.793
265 HZ1 LYS 39 3HZ LYS 39 9.811 1.959 -8.529
266 HZ2 LYS 39 1HZ LYS 39 8.155 2.296 -8.433
267 HZ3 LYS 39 2HZ LYS 39 9.258 3.216 -7.540
268 HA PRO 40 HA PRO 40 8.975 11.006 -6.814
269 HB2 PRO 40 1HB PRO 40 7.934 12.292 -8.966
270 HB3 PRO 40 2HB PRO 40 9.569 12.592 -8.366
271 HG2 PRO 40 1HG PRO 40 8.674 10.879 -10.653
272 HG3 PRO 40 2HG PRO 40 10.045 12.000 -10.564
273 HD2 PRO 40 1HD PRO 40 10.334 9.321 -10.295
274 HD3 PRO 40 2HD PRO 40 11.375 10.484 -9.448
275 H SER 41 H SER 41 8.021 8.481 -8.846
276 HA SER 41 HA SER 41 6.067 7.366 -9.189
277 HB2 SER 41 1HB SER 41 5.271 8.776 -6.629
278 HB3 SER 41 2HB SER 41 4.431 7.398 -7.338
279 HG SER 41 HG SER 41 7.180 7.224 -6.783
280 H GLY 42 H GLY 42 6.336 9.730 -10.635
281 HA2 GLY 42 1HA GLY 42 4.324 10.278 -12.087
282 HA3 GLY 42 2HA GLY 42 3.607 10.854 -10.589
283 HA PRO 43 HA PRO 43 6.174 14.172 -12.857
284 HB2 PRO 43 1HB PRO 43 4.134 15.589 -13.953
285 HB3 PRO 43 2HB PRO 43 4.950 14.268 -14.798
286 HG2 PRO 43 1HG PRO 43 2.350 14.248 -13.315
287 HG3 PRO 43 2HG PRO 43 2.755 13.502 -14.872
288 HD2 PRO 43 1HD PRO 43 2.655 12.091 -12.563
289 HD3 PRO 43 2HD PRO 43 3.775 11.688 -13.881
290 H SER 44 H SER 44 3.261 14.108 -10.929
291 HA SER 44 HA SER 44 2.367 15.578 -9.415
292 HB2 SER 44 1HB SER 44 3.975 16.287 -7.689
293 HB3 SER 44 2HB SER 44 4.236 14.605 -8.154
294 HG SER 44 HG SER 44 6.181 15.880 -8.019
295 H SER 45 H SER 45 2.595 16.782 -11.905
296 HA SER 45 HA SER 45 3.595 19.484 -11.335
297 HB2 SER 45 1HB SER 45 3.071 17.962 -13.865
298 HB3 SER 45 2HB SER 45 3.059 19.725 -13.892
299 HG SER 45 HG SER 45 5.152 19.721 -13.723
300 H GLY 46 H GLY 46 2.236 21.123 -10.990
301 HA2 GLY 46 1HA GLY 46 0.304 22.385 -10.999
302 HA3 GLY 46 2HA GLY 46 -0.371 21.258 -12.165
Start of MODEL 3
1 H1 GLY 1 H GLY 1 9.158 -31.561 0.312
2 HA2 GLY 1 1HA GLY 1 6.711 -32.117 0.044
3 HA3 GLY 1 2HA GLY 1 7.013 -30.436 0.457
4 H SER 2 H SER 2 6.276 -32.659 -2.160
5 HA SER 2 HA SER 2 6.200 -31.140 -4.381
6 HB2 SER 2 1HB SER 2 4.026 -33.029 -3.448
7 HB3 SER 2 2HB SER 2 4.184 -32.425 -5.098
8 HG SER 2 HG SER 2 5.651 -34.346 -3.763
9 H SER 3 H SER 3 3.761 -31.080 -1.810
10 HA SER 3 HA SER 3 2.368 -28.879 -3.117
11 HB2 SER 3 1HB SER 3 0.672 -29.162 -1.410
12 HB3 SER 3 2HB SER 3 1.094 -30.748 -2.056
13 HG SER 3 HG SER 3 2.120 -31.246 -0.216
14 H GLY 4 H GLY 4 3.338 -26.959 -2.882
15 HA2 GLY 4 1HA GLY 4 3.584 -25.833 -0.245
16 HA3 GLY 4 2HA GLY 4 5.137 -26.108 -1.021
17 H SER 5 H SER 5 2.704 -23.902 -0.549
18 HA SER 5 HA SER 5 3.804 -22.159 -2.607
19 HB2 SER 5 1HB SER 5 1.655 -23.450 -3.399
20 HB3 SER 5 2HB SER 5 0.817 -22.270 -2.391
21 HG SER 5 HG SER 5 2.742 -21.386 -4.230
22 H SER 6 H SER 6 3.545 -19.952 -2.177
23 HA SER 6 HA SER 6 2.580 -19.347 0.541
24 HB2 SER 6 1HB SER 6 4.793 -17.997 -1.023
25 HB3 SER 6 2HB SER 6 4.239 -17.515 0.580
26 HG SER 6 HG SER 6 6.108 -19.214 0.084
27 H GLY 7 H GLY 7 1.173 -17.691 0.832
28 HA2 GLY 7 1HA GLY 7 0.531 -16.017 -1.509
29 HA3 GLY 7 2HA GLY 7 -0.748 -16.832 -0.621
30 H THR 8 H THR 8 -0.948 -16.287 1.699
31 HA THR 8 HA THR 8 -1.176 -14.795 3.406
32 HB THR 8 HB THR 8 1.094 -13.232 2.170
33 HG1 THR 8 HG1 THR 8 1.498 -15.082 4.243
34 HG21 THR 8 3HG2 THR 8 1.413 -12.941 4.797
35 HG22 THR 8 1HG2 THR 8 -0.330 -13.208 4.777
36 HG23 THR 8 2HG2 THR 8 0.369 -11.875 3.857
37 H GLY 9 H GLY 9 -2.728 -14.510 1.039
38 HA2 GLY 9 1HA GLY 9 -2.924 -11.611 0.647
39 HA3 GLY 9 2HA GLY 9 -3.718 -12.840 -0.327
40 H GLU 10 H GLU 10 -3.825 -11.035 2.670
41 HA GLU 10 HA GLU 10 -6.529 -12.055 3.192
42 HB2 GLU 10 1HB GLU 10 -4.578 -10.568 4.954
43 HB3 GLU 10 2HB GLU 10 -6.233 -10.928 5.424
44 HG2 GLU 10 1HG GLU 10 -5.834 -13.193 5.601
45 HG3 GLU 10 2HG GLU 10 -4.424 -13.132 4.544
46 H LYS 11 H LYS 11 -4.757 -9.255 2.228
47 HA LYS 11 HA LYS 11 -7.274 -7.787 1.938
48 HB2 LYS 11 1HB LYS 11 -4.777 -6.704 3.249
49 HB3 LYS 11 2HB LYS 11 -6.114 -5.697 2.708
50 HG2 LYS 11 1HG LYS 11 -6.689 -5.940 4.889
51 HG3 LYS 11 2HG LYS 11 -7.506 -7.356 4.224
52 HD2 LYS 11 1HD LYS 11 -5.689 -8.784 4.898
53 HD3 LYS 11 2HD LYS 11 -4.734 -7.392 5.415
54 HE2 LYS 11 1HE LYS 11 -5.656 -8.362 7.375
55 HE3 LYS 11 2HE LYS 11 -6.563 -6.883 7.063
56 HZ1 LYS 11 3HZ LYS 11 -8.392 -8.108 7.127
57 HZ2 LYS 11 1HZ LYS 11 -7.506 -9.545 7.237
58 HZ3 LYS 11 2HZ LYS 11 -7.889 -8.902 5.720
59 HA PRO 12 HA PRO 12 -5.694 -6.882 -2.065
60 HB2 PRO 12 1HB PRO 12 -7.100 -4.626 -2.614
61 HB3 PRO 12 2HB PRO 12 -7.831 -6.235 -2.606
62 HG2 PRO 12 1HG PRO 12 -7.871 -4.126 -0.483
63 HG3 PRO 12 2HG PRO 12 -9.190 -5.164 -1.052
64 HD2 PRO 12 1HD PRO 12 -7.817 -5.671 1.225
65 HD3 PRO 12 2HD PRO 12 -8.487 -6.962 0.207
66 H TYR 13 H TYR 13 -5.005 -5.050 0.640
67 HA TYR 13 HA TYR 13 -3.295 -3.204 -0.892
68 HB2 TYR 13 1HB TYR 13 -3.967 -2.750 1.990
69 HB3 TYR 13 2HB TYR 13 -3.561 -1.577 0.743
70 HD1 TYR 13 HD2 TYR 13 -5.391 -1.914 -1.368
71 HD2 TYR 13 HD1 TYR 13 -6.099 -2.436 2.794
72 HE1 TYR 13 HE2 TYR 13 -7.781 -1.458 -1.724
73 HE2 TYR 13 HE1 TYR 13 -8.492 -1.983 2.450
74 HH TYR 13 HH TYR 13 -10.121 -1.775 0.893
75 H GLU 14 H GLU 14 -1.323 -4.075 -1.020
76 HA GLU 14 HA GLU 14 -0.028 -4.895 1.484
77 HB2 GLU 14 1HB GLU 14 -0.842 -6.812 -0.133
78 HB3 GLU 14 2HB GLU 14 0.608 -6.382 -1.029
79 HG2 GLU 14 1HG GLU 14 1.473 -7.992 0.306
80 HG3 GLU 14 2HG GLU 14 1.715 -6.600 1.359
81 H CYS 15 H CYS 15 2.091 -4.313 1.690
82 HA CYS 15 HA CYS 15 3.055 -2.282 -0.096
83 HB2 CYS 15 1HB CYS 15 3.356 -2.571 2.518
84 HB3 CYS 15 2HB CYS 15 4.788 -3.470 2.026
85 H ASP 16 H ASP 16 5.498 -2.391 -0.672
86 HA ASP 16 HA ASP 16 5.988 -5.004 -1.941
87 HB2 ASP 16 1HB ASP 16 5.579 -3.237 -3.574
88 HB3 ASP 16 2HB ASP 16 6.840 -2.246 -2.845
89 H VAL 17 H VAL 17 7.638 -2.181 -0.539
90 HA VAL 17 HA VAL 17 10.207 -3.303 -0.437
91 HB VAL 17 HB VAL 17 8.981 -1.205 1.357
92 HG11 VAL 17 1HG1 VAL 17 11.393 -0.543 1.698
93 HG12 VAL 17 2HG1 VAL 17 10.890 -2.040 2.484
94 HG13 VAL 17 3HG1 VAL 17 11.831 -2.099 0.994
95 HG21 VAL 17 3HG2 VAL 17 9.415 0.329 -0.227
96 HG22 VAL 17 1HG2 VAL 17 10.937 -0.435 -0.688
97 HG23 VAL 17 2HG2 VAL 17 9.412 -1.050 -1.326
98 H CYS 18 H CYS 18 7.840 -2.939 2.211
99 HA CYS 18 HA CYS 18 9.303 -4.921 3.773
100 HB2 CYS 18 1HB CYS 18 7.997 -4.213 5.645
101 HB3 CYS 18 2HB CYS 18 8.493 -2.759 4.785
102 H ARG 19 H ARG 19 6.463 -4.621 1.847
103 HA ARG 19 HA ARG 19 4.882 -6.119 1.191
104 HB2 ARG 19 1HB ARG 19 6.707 -8.132 2.519
105 HB3 ARG 19 2HB ARG 19 5.367 -8.522 1.448
106 HG2 ARG 19 1HG ARG 19 7.666 -6.799 0.579
107 HG3 ARG 19 2HG ARG 19 7.692 -8.559 0.445
108 HD2 ARG 19 1HD ARG 19 5.430 -6.944 -0.681
109 HD3 ARG 19 2HD ARG 19 6.923 -7.181 -1.589
110 HE ARG 19 HE ARG 19 4.886 -9.157 -1.030
111 HH11 ARG 19 1HH1 ARG 19 8.161 -8.555 -2.046
112 HH12 ARG 19 2HH1 ARG 19 8.330 -10.078 -2.852
113 HH21 ARG 19 1HH2 ARG 19 5.096 -11.167 -2.089
114 HH22 ARG 19 2HH2 ARG 19 6.585 -11.563 -2.877
115 H LYS 20 H LYS 20 4.177 -4.714 3.347
116 HA LYS 20 HA LYS 20 3.198 -6.585 5.374
117 HB2 LYS 20 1HB LYS 20 4.345 -4.431 6.017
118 HB3 LYS 20 2HB LYS 20 2.957 -3.575 5.358
119 HG2 LYS 20 1HG LYS 20 1.502 -4.522 6.989
120 HG3 LYS 20 2HG LYS 20 2.762 -5.621 7.554
121 HD2 LYS 20 1HD LYS 20 3.987 -3.883 8.546
122 HD3 LYS 20 2HD LYS 20 3.110 -2.639 7.651
123 HE2 LYS 20 1HE LYS 20 2.278 -2.558 9.858
124 HE3 LYS 20 2HE LYS 20 1.043 -3.381 8.906
125 HZ1 LYS 20 3HZ LYS 20 1.335 -4.573 10.925
126 HZ2 LYS 20 1HZ LYS 20 3.016 -4.623 10.741
127 HZ3 LYS 20 2HZ LYS 20 2.024 -5.508 9.696
128 H ALA 21 H ALA 21 0.994 -6.692 5.953
129 HA ALA 21 HA ALA 21 -0.818 -5.999 3.748
130 HB1 ALA 21 3HB ALA 21 -2.127 -7.818 4.304
131 HB2 ALA 21 1HB ALA 21 -0.507 -8.404 4.682
132 HB3 ALA 21 2HB ALA 21 -1.567 -7.844 5.976
133 H PHE 22 H PHE 22 -2.389 -4.539 4.003
134 HA PHE 22 HA PHE 22 -2.961 -3.588 6.733
135 HB2 PHE 22 1HB PHE 22 -3.019 -1.968 4.179
136 HB3 PHE 22 2HB PHE 22 -3.354 -1.364 5.798
137 HD1 PHE 22 HD1 PHE 22 -0.705 -2.827 3.665
138 HD2 PHE 22 HD2 PHE 22 -1.625 -0.620 7.186
139 HE1 PHE 22 HE1 PHE 22 1.682 -2.304 3.956
140 HE2 PHE 22 HE2 PHE 22 0.760 -0.093 7.483
141 HZ PHE 22 HZ PHE 22 2.417 -0.934 5.866
142 H SER 23 H SER 23 -5.129 -2.546 6.950
143 HA SER 23 HA SER 23 -7.114 -4.025 5.352
144 HB2 SER 23 1HB SER 23 -8.561 -4.042 7.276
145 HB3 SER 23 2HB SER 23 -6.974 -4.610 7.794
146 HG SER 23 HG SER 23 -7.996 -1.979 8.112
147 H HIS 24 H HIS 24 -6.016 -1.534 4.522
148 HA HIS 24 HA HIS 24 -8.401 -0.110 3.967
149 HB2 HIS 24 1HB HIS 24 -7.634 0.550 6.416
150 HB3 HIS 24 2HB HIS 24 -6.527 1.602 5.540
151 HD1 HIS 24 HD1 HIS 24 -8.725 2.808 7.298
152 HD2 HIS 24 HD2 HIS 24 -9.154 2.069 3.232
153 HE1 HIS 24 HE1 HIS 24 -10.548 4.356 6.521
154 H HIS 25 H HIS 25 -8.018 0.331 1.903
155 HA HIS 25 HA HIS 25 -5.743 0.333 0.481
156 HB2 HIS 25 1HB HIS 25 -6.798 2.014 -1.057
157 HB3 HIS 25 2HB HIS 25 -7.843 0.661 -0.633
158 HD1 HIS 25 HD1 HIS 25 -7.476 4.346 -0.225
159 HD2 HIS 25 HD2 HIS 25 -10.065 1.322 0.963
160 HE1 HIS 25 HE1 HIS 25 -9.512 5.518 0.673
161 H ALA 26 H ALA 26 -6.945 3.100 2.335
162 HA ALA 26 HA ALA 26 -4.949 4.931 1.577
163 HB1 ALA 26 3HB ALA 26 -5.654 5.695 4.122
164 HB2 ALA 26 1HB ALA 26 -6.475 6.169 2.634
165 HB3 ALA 26 2HB ALA 26 -7.067 4.795 3.569
166 H SER 27 H SER 27 -5.203 2.884 4.484
167 HA SER 27 HA SER 27 -2.946 3.565 5.832
168 HB2 SER 27 1HB SER 27 -4.697 1.720 6.340
169 HB3 SER 27 2HB SER 27 -3.604 0.653 5.457
170 HG SER 27 HG SER 27 -2.003 1.805 7.033
171 H LEU 28 H LEU 28 -3.137 1.859 2.812
172 HA LEU 28 HA LEU 28 -0.372 1.018 2.859
173 HB2 LEU 28 1HB LEU 28 -2.131 -0.306 1.742
174 HB3 LEU 28 2HB LEU 28 -2.359 1.009 0.591
175 HG LEU 28 HG LEU 28 0.045 0.664 -0.098
176 HD11 LEU 28 1HD1 LEU 28 0.064 -2.095 0.815
177 HD12 LEU 28 2HD1 LEU 28 0.145 -0.935 2.141
178 HD13 LEU 28 3HD1 LEU 28 1.342 -0.880 0.847
179 HD21 LEU 28 3HD2 LEU 28 -0.828 -1.834 -0.959
180 HD22 LEU 28 1HD2 LEU 28 -1.056 -0.288 -1.779
181 HD23 LEU 28 2HD2 LEU 28 -2.305 -0.905 -0.696
182 H THR 29 H THR 29 -2.303 3.274 0.886
183 HA THR 29 HA THR 29 -0.178 4.361 -0.569
184 HB THR 29 HB THR 29 -2.751 4.667 -0.871
185 HG1 THR 29 HG1 THR 29 -1.786 5.708 -2.446
186 HG21 THR 29 3HG2 THR 29 -3.818 6.356 0.216
187 HG22 THR 29 1HG2 THR 29 -2.356 7.332 0.364
188 HG23 THR 29 2HG2 THR 29 -2.629 5.979 1.462
189 H GLN 30 H GLN 30 -1.036 4.764 2.713
190 HA GLN 30 HA GLN 30 0.410 7.287 2.967
191 HB2 GLN 30 1HB GLN 30 -1.723 7.030 4.166
192 HB3 GLN 30 2HB GLN 30 -1.061 5.660 5.048
193 HG2 GLN 30 1HG GLN 30 0.709 7.234 5.916
194 HG3 GLN 30 2HG GLN 30 -0.256 8.545 5.239
195 HE21 GLN 30 1HE2 GLN 30 0.184 6.430 7.849
196 HE22 GLN 30 2HE2 GLN 30 -1.213 6.878 8.761
197 H HIS 31 H HIS 31 0.471 4.049 4.459
198 HA HIS 31 HA HIS 31 2.784 4.298 5.939
199 HB2 HIS 31 1HB HIS 31 1.702 2.310 6.359
200 HB3 HIS 31 2HB HIS 31 1.385 1.998 4.655
201 HD1 HIS 31 HD1 HIS 31 3.925 1.471 7.329
202 HD2 HIS 31 HD2 HIS 31 3.455 0.678 3.277
203 HE1 HIS 31 HE1 HIS 31 5.751 -0.157 6.746
204 H GLN 32 H GLN 32 2.445 3.422 2.525
205 HA GLN 32 HA GLN 32 4.919 2.635 1.799
206 HB2 GLN 32 1HB GLN 32 2.900 4.362 0.451
207 HB3 GLN 32 2HB GLN 32 4.490 4.223 -0.288
208 HG2 GLN 32 1HG GLN 32 2.770 1.867 0.439
209 HG3 GLN 32 2HG GLN 32 2.782 2.627 -1.151
210 HE21 GLN 32 1HE2 GLN 32 3.428 0.535 -1.931
211 HE22 GLN 32 2HE2 GLN 32 5.088 0.062 -1.847
212 H ARG 33 H ARG 33 4.054 5.770 2.982
213 HA ARG 33 HA ARG 33 6.068 7.390 2.034
214 HB2 ARG 33 1HB ARG 33 4.576 7.304 4.629
215 HB3 ARG 33 2HB ARG 33 5.894 8.449 4.424
216 HG2 ARG 33 1HG ARG 33 4.703 9.225 2.325
217 HG3 ARG 33 2HG ARG 33 3.321 8.283 2.890
218 HD2 ARG 33 1HD ARG 33 3.127 10.624 3.552
219 HD3 ARG 33 2HD ARG 33 3.277 9.572 4.959
220 HE ARG 33 HE ARG 33 5.279 10.574 5.459
221 HH11 ARG 33 1HH1 ARG 33 4.330 11.433 2.222
222 HH12 ARG 33 2HH1 ARG 33 5.572 12.627 2.035
223 HH21 ARG 33 1HH2 ARG 33 6.918 12.143 5.225
224 HH22 ARG 33 2HH2 ARG 33 7.044 13.029 3.744
225 H VAL 34 H VAL 34 6.176 5.194 4.820
226 HA VAL 34 HA VAL 34 8.601 5.741 5.917
227 HB VAL 34 HB VAL 34 8.783 3.424 6.594
228 HG11 VAL 34 1HG1 VAL 34 7.225 4.263 7.999
229 HG12 VAL 34 2HG1 VAL 34 6.192 4.834 6.687
230 HG13 VAL 34 3HG1 VAL 34 6.170 3.132 7.151
231 HG21 VAL 34 3HG2 VAL 34 8.361 2.308 4.505
232 HG22 VAL 34 1HG2 VAL 34 7.201 1.730 5.701
233 HG23 VAL 34 2HG2 VAL 34 6.699 2.897 4.478
234 H HIS 35 H HIS 35 7.998 4.003 2.912
235 HA HIS 35 HA HIS 35 10.855 3.568 2.512
236 HB2 HIS 35 1HB HIS 35 8.608 2.809 0.643
237 HB3 HIS 35 2HB HIS 35 10.248 2.167 0.672
238 HD1 HIS 35 HD1 HIS 35 10.710 1.149 3.359
239 HD2 HIS 35 HD2 HIS 35 6.940 0.942 1.627
240 HE1 HIS 35 HE1 HIS 35 9.500 -0.675 4.598
241 H SER 36 H SER 36 12.089 4.879 1.339
242 HA SER 36 HA SER 36 10.762 6.816 -0.443
243 HB2 SER 36 1HB SER 36 12.738 8.301 0.013
244 HB3 SER 36 2HB SER 36 11.726 7.995 1.424
245 HG SER 36 HG SER 36 14.297 7.048 0.830
246 H GLY 37 H GLY 37 11.030 6.146 -2.475
247 HA2 GLY 37 1HA GLY 37 13.761 5.550 -3.371
248 HA3 GLY 37 2HA GLY 37 12.491 4.387 -3.721
249 H GLU 38 H GLU 38 13.771 7.552 -4.440
250 HA GLU 38 HA GLU 38 11.726 8.256 -6.315
251 HB2 GLU 38 1HB GLU 38 13.399 9.785 -5.014
252 HB3 GLU 38 2HB GLU 38 14.480 9.441 -6.357
253 HG2 GLU 38 1HG GLU 38 11.707 10.475 -6.812
254 HG3 GLU 38 2HG GLU 38 13.052 11.559 -6.460
255 H LYS 39 H LYS 39 14.076 5.956 -6.422
256 HA LYS 39 HA LYS 39 14.332 6.150 -9.352
257 HB2 LYS 39 1HB LYS 39 16.355 4.601 -8.948
258 HB3 LYS 39 2HB LYS 39 16.522 6.307 -8.554
259 HG2 LYS 39 1HG LYS 39 16.553 5.925 -6.292
260 HG3 LYS 39 2HG LYS 39 15.659 4.409 -6.427
261 HD2 LYS 39 1HD LYS 39 17.587 3.281 -7.303
262 HD3 LYS 39 2HD LYS 39 18.483 4.798 -7.413
263 HE2 LYS 39 1HE LYS 39 17.437 3.689 -4.817
264 HE3 LYS 39 2HE LYS 39 19.041 3.313 -5.444
265 HZ1 LYS 39 3HZ LYS 39 19.246 5.878 -5.579
266 HZ2 LYS 39 1HZ LYS 39 19.460 5.101 -4.092
267 HZ3 LYS 39 2HZ LYS 39 17.995 5.871 -4.440
268 HA PRO 40 HA PRO 40 11.720 2.444 -8.509
269 HB2 PRO 40 1HB PRO 40 10.127 2.809 -10.677
270 HB3 PRO 40 2HB PRO 40 9.834 3.604 -9.126
271 HG2 PRO 40 1HG PRO 40 11.146 4.685 -11.590
272 HG3 PRO 40 2HG PRO 40 9.971 5.464 -10.515
273 HD2 PRO 40 1HD PRO 40 12.627 5.974 -10.384
274 HD3 PRO 40 2HD PRO 40 11.576 6.015 -8.955
275 H SER 41 H SER 41 12.913 3.619 -11.652
276 HA SER 41 HA SER 41 13.672 0.845 -12.298
277 HB2 SER 41 1HB SER 41 13.234 1.300 -14.641
278 HB3 SER 41 2HB SER 41 11.795 1.694 -13.703
279 HG SER 41 HG SER 41 13.078 3.262 -15.357
280 H GLY 42 H GLY 42 15.638 0.524 -13.382
281 HA2 GLY 42 1HA GLY 42 17.751 2.203 -12.621
282 HA3 GLY 42 2HA GLY 42 17.854 0.922 -13.819
283 HA PRO 43 HA PRO 43 18.680 4.881 -16.024
284 HB2 PRO 43 1HB PRO 43 20.657 3.856 -17.577
285 HB3 PRO 43 2HB PRO 43 20.942 4.483 -15.949
286 HG2 PRO 43 1HG PRO 43 20.605 1.650 -16.856
287 HG3 PRO 43 2HG PRO 43 21.772 2.324 -15.704
288 HD2 PRO 43 1HD PRO 43 19.529 1.028 -14.916
289 HD3 PRO 43 2HD PRO 43 20.241 2.359 -13.981
290 H SER 44 H SER 44 17.557 1.790 -16.818
291 HA SER 44 HA SER 44 17.479 1.661 -19.552
292 HB2 SER 44 1HB SER 44 15.489 0.289 -19.335
293 HB3 SER 44 2HB SER 44 16.581 -0.071 -17.998
294 HG SER 44 HG SER 44 15.168 1.767 -16.999
295 H SER 45 H SER 45 16.619 2.833 -21.135
296 HA SER 45 HA SER 45 14.430 4.691 -20.480
297 HB2 SER 45 1HB SER 45 16.935 5.208 -22.076
298 HB3 SER 45 2HB SER 45 15.493 6.206 -22.261
299 HG SER 45 HG SER 45 15.627 6.542 -19.941
300 H GLY 46 H GLY 46 13.574 5.618 -22.734
301 HA2 GLY 46 1HA GLY 46 13.073 5.040 -25.031
302 HA3 GLY 46 2HA GLY 46 13.302 3.351 -24.602
Start of MODEL 4
1 H1 GLY 1 H GLY 1 10.035 -21.279 -11.743
2 HA2 GLY 1 1HA GLY 1 9.915 -18.829 -12.210
3 HA3 GLY 1 2HA GLY 1 8.185 -19.070 -12.405
4 H SER 2 H SER 2 7.437 -17.801 -10.779
5 HA SER 2 HA SER 2 8.334 -18.476 -8.053
6 HB2 SER 2 1HB SER 2 8.797 -16.117 -8.886
7 HB3 SER 2 2HB SER 2 7.051 -15.868 -8.878
8 HG SER 2 HG SER 2 8.772 -16.380 -6.698
9 H SER 3 H SER 3 6.893 -19.795 -7.155
10 HA SER 3 HA SER 3 4.363 -20.405 -7.854
11 HB2 SER 3 1HB SER 3 4.009 -21.263 -5.675
12 HB3 SER 3 2HB SER 3 5.753 -21.350 -5.921
13 HG SER 3 HG SER 3 4.262 -19.620 -4.292
14 H GLY 4 H GLY 4 2.248 -19.767 -7.216
15 HA2 GLY 4 1HA GLY 4 1.708 -17.045 -7.419
16 HA3 GLY 4 2HA GLY 4 0.575 -18.247 -6.819
17 H SER 5 H SER 5 1.085 -18.970 -4.485
18 HA SER 5 HA SER 5 0.778 -18.238 -2.322
19 HB2 SER 5 1HB SER 5 2.868 -17.438 -1.330
20 HB3 SER 5 2HB SER 5 3.194 -18.734 -2.480
21 HG SER 5 HG SER 5 4.037 -16.159 -2.504
22 H SER 6 H SER 6 -0.579 -16.535 -4.030
23 HA SER 6 HA SER 6 0.075 -13.804 -3.677
24 HB2 SER 6 1HB SER 6 -2.242 -13.377 -4.455
25 HB3 SER 6 2HB SER 6 -1.390 -14.526 -5.488
26 HG SER 6 HG SER 6 -3.699 -14.882 -4.339
27 H GLY 7 H GLY 7 -2.394 -15.844 -2.102
28 HA2 GLY 7 1HA GLY 7 -2.472 -15.662 0.376
29 HA3 GLY 7 2HA GLY 7 -2.369 -13.923 0.145
30 H THR 8 H THR 8 -4.425 -15.774 1.383
31 HA THR 8 HA THR 8 -6.748 -14.810 -0.156
32 HB THR 8 HB THR 8 -8.034 -16.697 0.741
33 HG1 THR 8 HG1 THR 8 -5.643 -17.128 2.137
34 HG21 THR 8 3HG2 THR 8 -7.300 -18.221 -0.807
35 HG22 THR 8 1HG2 THR 8 -5.603 -18.002 -0.382
36 HG23 THR 8 2HG2 THR 8 -6.431 -16.791 -1.361
37 H GLY 9 H GLY 9 -8.273 -13.641 0.888
38 HA2 GLY 9 1HA GLY 9 -9.371 -13.487 3.215
39 HA3 GLY 9 2HA GLY 9 -7.748 -13.042 3.722
40 H GLU 10 H GLU 10 -8.726 -11.059 4.486
41 HA GLU 10 HA GLU 10 -9.586 -9.197 2.401
42 HB2 GLU 10 1HB GLU 10 -10.236 -7.731 4.277
43 HB3 GLU 10 2HB GLU 10 -11.001 -9.311 4.368
44 HG2 GLU 10 1HG GLU 10 -9.593 -10.004 6.125
45 HG3 GLU 10 2HG GLU 10 -8.499 -8.644 5.884
46 H LYS 11 H LYS 11 -6.905 -9.889 2.272
47 HA LYS 11 HA LYS 11 -5.608 -7.379 3.105
48 HB2 LYS 11 1HB LYS 11 -3.470 -8.734 3.198
49 HB3 LYS 11 2HB LYS 11 -4.638 -9.056 4.473
50 HG2 LYS 11 1HG LYS 11 -5.411 -11.036 3.206
51 HG3 LYS 11 2HG LYS 11 -4.135 -10.734 2.024
52 HD2 LYS 11 1HD LYS 11 -3.380 -10.918 4.897
53 HD3 LYS 11 2HD LYS 11 -3.790 -12.408 4.044
54 HE2 LYS 11 1HE LYS 11 -2.066 -12.065 2.446
55 HE3 LYS 11 2HE LYS 11 -1.790 -10.414 3.000
56 HZ1 LYS 11 3HZ LYS 11 -1.401 -11.892 5.236
57 HZ2 LYS 11 1HZ LYS 11 -0.177 -11.307 4.226
58 HZ3 LYS 11 2HZ LYS 11 -0.752 -12.885 4.030
59 HA PRO 12 HA PRO 12 -5.341 -8.295 -1.546
60 HB2 PRO 12 1HB PRO 12 -6.959 -6.288 -2.397
61 HB3 PRO 12 2HB PRO 12 -7.555 -7.910 -2.024
62 HG2 PRO 12 1HG PRO 12 -7.622 -5.433 -0.344
63 HG3 PRO 12 2HG PRO 12 -8.889 -6.649 -0.596
64 HD2 PRO 12 1HD PRO 12 -7.329 -6.609 1.617
65 HD3 PRO 12 2HD PRO 12 -7.959 -8.115 0.920
66 H TYR 13 H TYR 13 -4.515 -6.020 0.702
67 HA TYR 13 HA TYR 13 -3.068 -4.398 -1.289
68 HB2 TYR 13 1HB TYR 13 -3.983 -3.505 1.451
69 HB3 TYR 13 2HB TYR 13 -3.180 -2.513 0.239
70 HD1 TYR 13 HD2 TYR 13 -4.546 -2.957 -2.206
71 HD2 TYR 13 HD1 TYR 13 -6.172 -2.843 1.724
72 HE1 TYR 13 HE2 TYR 13 -6.731 -2.316 -3.135
73 HE2 TYR 13 HE1 TYR 13 -8.362 -2.202 0.806
74 HH TYR 13 HH TYR 13 -9.042 -0.922 -1.607
75 H GLU 14 H GLU 14 -0.941 -4.636 -1.243
76 HA GLU 14 HA GLU 14 0.371 -5.245 1.314
77 HB2 GLU 14 1HB GLU 14 0.469 -6.801 -1.219
78 HB3 GLU 14 2HB GLU 14 1.968 -6.635 -0.315
79 HG2 GLU 14 1HG GLU 14 1.183 -8.548 0.613
80 HG3 GLU 14 2HG GLU 14 0.430 -7.377 1.694
81 H CYS 15 H CYS 15 2.655 -4.708 1.364
82 HA CYS 15 HA CYS 15 3.205 -2.340 -0.256
83 HB2 CYS 15 1HB CYS 15 3.391 -2.323 2.271
84 HB3 CYS 15 2HB CYS 15 4.799 -3.367 2.094
85 H ASP 16 H ASP 16 4.781 -2.226 -1.745
86 HA ASP 16 HA ASP 16 6.160 -4.682 -2.447
87 HB2 ASP 16 1HB ASP 16 5.011 -2.985 -4.065
88 HB3 ASP 16 2HB ASP 16 6.514 -2.082 -3.901
89 H VAL 17 H VAL 17 6.876 -3.085 -0.027
90 HA VAL 17 HA VAL 17 9.739 -2.792 -0.638
91 HB VAL 17 HB VAL 17 8.133 -0.968 1.158
92 HG11 VAL 17 1HG1 VAL 17 10.402 -1.445 2.004
93 HG12 VAL 17 2HG1 VAL 17 11.070 -0.875 0.473
94 HG13 VAL 17 3HG1 VAL 17 10.196 0.239 1.525
95 HG21 VAL 17 3HG2 VAL 17 8.702 -0.875 -1.641
96 HG22 VAL 17 1HG2 VAL 17 7.793 0.270 -0.654
97 HG23 VAL 17 2HG2 VAL 17 9.537 0.453 -0.835
98 H CYS 18 H CYS 18 7.347 -3.101 1.980
99 HA CYS 18 HA CYS 18 9.324 -4.682 3.487
100 HB2 CYS 18 1HB CYS 18 8.071 -4.074 5.510
101 HB3 CYS 18 2HB CYS 18 8.629 -2.642 4.651
102 H ARG 19 H ARG 19 6.617 -4.965 1.610
103 HA ARG 19 HA ARG 19 5.111 -6.624 1.220
104 HB2 ARG 19 1HB ARG 19 7.063 -8.211 2.897
105 HB3 ARG 19 2HB ARG 19 5.736 -8.914 1.980
106 HG2 ARG 19 1HG ARG 19 7.869 -7.244 0.687
107 HG3 ARG 19 2HG ARG 19 8.035 -8.986 0.920
108 HD2 ARG 19 1HD ARG 19 5.659 -9.019 -0.218
109 HD3 ARG 19 2HD ARG 19 6.195 -7.468 -0.862
110 HE ARG 19 HE ARG 19 8.273 -9.048 -1.447
111 HH11 ARG 19 1HH1 ARG 19 4.847 -9.474 -1.896
112 HH12 ARG 19 2HH1 ARG 19 5.024 -10.460 -3.310
113 HH21 ARG 19 1HH2 ARG 19 8.518 -10.345 -3.307
114 HH22 ARG 19 2HH2 ARG 19 7.112 -10.956 -4.111
115 H LYS 20 H LYS 20 4.295 -4.902 3.130
116 HA LYS 20 HA LYS 20 3.196 -6.572 5.287
117 HB2 LYS 20 1HB LYS 20 4.517 -4.529 5.910
118 HB3 LYS 20 2HB LYS 20 3.270 -3.555 5.140
119 HG2 LYS 20 1HG LYS 20 1.659 -4.164 6.741
120 HG3 LYS 20 2HG LYS 20 2.656 -5.485 7.356
121 HD2 LYS 20 1HD LYS 20 4.178 -3.987 8.374
122 HD3 LYS 20 2HD LYS 20 3.511 -2.603 7.504
123 HE2 LYS 20 1HE LYS 20 1.939 -4.231 9.491
124 HE3 LYS 20 2HE LYS 20 2.852 -2.788 9.928
125 HZ1 LYS 20 3HZ LYS 20 1.501 -1.483 8.459
126 HZ2 LYS 20 1HZ LYS 20 0.483 -2.349 9.497
127 HZ3 LYS 20 2HZ LYS 20 0.687 -2.855 7.897
128 H ALA 21 H ALA 21 1.043 -6.864 5.499
129 HA ALA 21 HA ALA 21 -0.650 -5.857 3.342
130 HB1 ALA 21 3HB ALA 21 -2.295 -7.502 4.616
131 HB2 ALA 21 1HB ALA 21 -1.086 -8.086 3.473
132 HB3 ALA 21 2HB ALA 21 -0.770 -8.161 5.207
133 H PHE 22 H PHE 22 -2.384 -4.540 3.636
134 HA PHE 22 HA PHE 22 -2.925 -3.621 6.382
135 HB2 PHE 22 1HB PHE 22 -2.931 -1.912 3.885
136 HB3 PHE 22 2HB PHE 22 -3.280 -1.362 5.521
137 HD1 PHE 22 HD1 PHE 22 -0.598 -2.996 3.523
138 HD2 PHE 22 HD2 PHE 22 -1.583 -0.469 6.803
139 HE1 PHE 22 HE1 PHE 22 1.791 -2.511 3.863
140 HE2 PHE 22 HE2 PHE 22 0.803 0.021 7.147
141 HZ PHE 22 HZ PHE 22 2.494 -1.000 5.676
142 H SER 23 H SER 23 -5.058 -3.097 6.888
143 HA SER 23 HA SER 23 -7.045 -4.626 5.603
144 HB2 SER 23 1HB SER 23 -7.152 -2.451 7.687
145 HB3 SER 23 2HB SER 23 -8.618 -3.215 7.072
146 HG SER 23 HG SER 23 -6.602 -4.259 8.686
147 H HIS 24 H HIS 24 -6.421 -1.128 5.616
148 HA HIS 24 HA HIS 24 -8.204 -0.888 3.282
149 HB2 HIS 24 1HB HIS 24 -8.764 0.349 5.495
150 HB3 HIS 24 2HB HIS 24 -7.451 1.431 5.040
151 HD1 HIS 24 HD1 HIS 24 -8.466 3.486 4.126
152 HD2 HIS 24 HD2 HIS 24 -10.470 0.078 2.847
153 HE1 HIS 24 HE1 HIS 24 -10.245 4.304 2.549
154 H HIS 25 H HIS 25 -7.533 0.358 1.527
155 HA HIS 25 HA HIS 25 -4.871 0.207 0.786
156 HB2 HIS 25 1HB HIS 25 -6.941 0.647 -0.670
157 HB3 HIS 25 2HB HIS 25 -6.716 2.345 -0.262
158 HD1 HIS 25 HD1 HIS 25 -5.743 3.414 -2.267
159 HD2 HIS 25 HD2 HIS 25 -4.000 -0.275 -1.481
160 HE1 HIS 25 HE1 HIS 25 -3.906 3.163 -3.966
161 H ALA 26 H ALA 26 -6.616 3.171 1.744
162 HA ALA 26 HA ALA 26 -4.749 5.067 1.724
163 HB1 ALA 26 3HB ALA 26 -6.839 4.455 3.758
164 HB2 ALA 26 1HB ALA 26 -5.707 5.774 4.060
165 HB3 ALA 26 2HB ALA 26 -6.729 5.800 2.622
166 H SER 27 H SER 27 -5.035 2.762 4.431
167 HA SER 27 HA SER 27 -2.928 3.586 5.980
168 HB2 SER 27 1HB SER 27 -4.639 1.574 6.219
169 HB3 SER 27 2HB SER 27 -3.279 0.644 5.590
170 HG SER 27 HG SER 27 -2.962 0.640 7.739
171 H LEU 28 H LEU 28 -2.820 1.432 3.169
172 HA LEU 28 HA LEU 28 0.013 1.028 3.343
173 HB2 LEU 28 1HB LEU 28 -1.131 -0.728 2.331
174 HB3 LEU 28 2HB LEU 28 -2.104 0.355 1.337
175 HG LEU 28 HG LEU 28 -0.049 0.869 0.015
176 HD11 LEU 28 1HD1 LEU 28 1.891 -0.532 0.226
177 HD12 LEU 28 2HD1 LEU 28 1.132 -1.460 1.519
178 HD13 LEU 28 3HD1 LEU 28 1.564 0.229 1.783
179 HD21 LEU 28 3HD2 LEU 28 -1.230 -1.874 0.176
180 HD22 LEU 28 1HD2 LEU 28 0.058 -1.527 -0.977
181 HD23 LEU 28 2HD2 LEU 28 -1.456 -0.625 -1.050
182 H THR 29 H THR 29 -2.135 3.027 1.362
183 HA THR 29 HA THR 29 -0.279 4.074 -0.416
184 HB THR 29 HB THR 29 -2.818 5.201 0.731
185 HG1 THR 29 HG1 THR 29 -3.241 3.739 -0.835
186 HG21 THR 29 3HG2 THR 29 -2.033 7.262 0.273
187 HG22 THR 29 1HG2 THR 29 -2.308 6.810 -1.408
188 HG23 THR 29 2HG2 THR 29 -0.700 6.645 -0.702
189 H GLN 30 H GLN 30 -1.254 5.335 2.765
190 HA GLN 30 HA GLN 30 0.607 7.502 2.685
191 HB2 GLN 30 1HB GLN 30 -1.336 7.817 4.015
192 HB3 GLN 30 2HB GLN 30 -1.079 6.307 4.878
193 HG2 GLN 30 1HG GLN 30 0.960 7.276 5.883
194 HG3 GLN 30 2HG GLN 30 0.587 8.804 5.087
195 HE21 GLN 30 1HE2 GLN 30 0.666 7.705 7.970
196 HE22 GLN 30 2HE2 GLN 30 -0.786 8.331 8.664
197 H HIS 31 H HIS 31 0.513 4.377 4.369
198 HA HIS 31 HA HIS 31 2.799 4.545 5.880
199 HB2 HIS 31 1HB HIS 31 1.656 2.583 6.259
200 HB3 HIS 31 2HB HIS 31 1.376 2.290 4.545
201 HD1 HIS 31 HD1 HIS 31 3.884 1.744 7.262
202 HD2 HIS 31 HD2 HIS 31 3.392 0.861 3.232
203 HE1 HIS 31 HE1 HIS 31 5.668 0.057 6.721
204 H GLN 32 H GLN 32 2.521 3.763 2.445
205 HA GLN 32 HA GLN 32 5.021 2.910 1.804
206 HB2 GLN 32 1HB GLN 32 3.106 4.702 0.352
207 HB3 GLN 32 2HB GLN 32 4.680 4.349 -0.348
208 HG2 GLN 32 1HG GLN 32 3.942 1.863 0.188
209 HG3 GLN 32 2HG GLN 32 2.338 2.581 0.057
210 HE21 GLN 32 1HE2 GLN 32 2.712 0.764 -1.722
211 HE22 GLN 32 2HE2 GLN 32 3.098 1.400 -3.281
212 H ARG 33 H ARG 33 4.094 6.110 2.809
213 HA ARG 33 HA ARG 33 6.250 7.612 1.910
214 HB2 ARG 33 1HB ARG 33 4.600 7.853 4.425
215 HB3 ARG 33 2HB ARG 33 5.796 9.048 3.945
216 HG2 ARG 33 1HG ARG 33 4.477 9.128 1.723
217 HG3 ARG 33 2HG ARG 33 3.189 8.366 2.658
218 HD2 ARG 33 1HD ARG 33 4.564 10.964 3.336
219 HD3 ARG 33 2HD ARG 33 2.962 10.805 2.616
220 HE ARG 33 HE ARG 33 3.060 9.346 5.021
221 HH11 ARG 33 1HH1 ARG 33 3.026 12.625 3.850
222 HH12 ARG 33 2HH1 ARG 33 2.269 13.263 5.272
223 HH21 ARG 33 1HH2 ARG 33 2.062 10.174 6.898
224 HH22 ARG 33 2HH2 ARG 33 1.722 11.868 7.005
225 H VAL 34 H VAL 34 5.920 5.758 4.922
226 HA VAL 34 HA VAL 34 8.172 6.356 6.284
227 HB VAL 34 HB VAL 34 8.250 4.066 7.125
228 HG11 VAL 34 1HG1 VAL 34 5.724 5.563 6.863
229 HG12 VAL 34 2HG1 VAL 34 5.581 3.895 7.420
230 HG13 VAL 34 3HG1 VAL 34 6.590 5.039 8.306
231 HG21 VAL 34 3HG2 VAL 34 7.782 2.350 5.796
232 HG22 VAL 34 1HG2 VAL 34 6.091 2.850 5.767
233 HG23 VAL 34 2HG2 VAL 34 7.208 3.450 4.542
234 H HIS 35 H HIS 35 8.005 4.665 3.247
235 HA HIS 35 HA HIS 35 10.867 4.051 3.343
236 HB2 HIS 35 1HB HIS 35 8.959 3.324 1.125
237 HB3 HIS 35 2HB HIS 35 10.512 2.588 1.508
238 HD1 HIS 35 HD1 HIS 35 10.286 1.786 4.349
239 HD2 HIS 35 HD2 HIS 35 7.075 1.494 1.728
240 HE1 HIS 35 HE1 HIS 35 8.750 0.068 5.357
241 H SER 36 H SER 36 11.384 6.359 3.224
242 HA SER 36 HA SER 36 10.783 7.763 0.774
243 HB2 SER 36 1HB SER 36 11.190 8.705 3.216
244 HB3 SER 36 2HB SER 36 12.871 8.726 2.684
245 HG SER 36 HG SER 36 11.436 10.656 2.280
246 H GLY 37 H GLY 37 13.921 7.151 2.356
247 HA2 GLY 37 1HA GLY 37 16.019 7.023 1.359
248 HA3 GLY 37 2HA GLY 37 15.259 5.625 0.613
249 H GLU 38 H GLU 38 15.934 9.063 0.209
250 HA GLU 38 HA GLU 38 15.277 8.892 -2.632
251 HB2 GLU 38 1HB GLU 38 15.680 11.104 -0.685
252 HB3 GLU 38 2HB GLU 38 16.074 11.428 -2.367
253 HG2 GLU 38 1HG GLU 38 13.884 12.098 -2.257
254 HG3 GLU 38 2HG GLU 38 13.724 10.444 -2.843
255 H LYS 39 H LYS 39 17.515 7.399 -1.733
256 HA LYS 39 HA LYS 39 19.489 8.358 -3.570
257 HB2 LYS 39 1HB LYS 39 19.882 8.684 -0.637
258 HB3 LYS 39 2HB LYS 39 21.261 8.145 -1.586
259 HG2 LYS 39 1HG LYS 39 20.770 10.150 -3.097
260 HG3 LYS 39 2HG LYS 39 19.750 10.725 -1.776
261 HD2 LYS 39 1HD LYS 39 22.564 9.873 -1.227
262 HD3 LYS 39 2HD LYS 39 22.245 11.469 -1.911
263 HE2 LYS 39 1HE LYS 39 20.930 10.428 0.592
264 HE3 LYS 39 2HE LYS 39 22.408 11.389 0.594
265 HZ1 LYS 39 3HZ LYS 39 21.058 13.070 -0.728
266 HZ2 LYS 39 1HZ LYS 39 20.701 12.920 0.919
267 HZ3 LYS 39 2HZ LYS 39 19.691 12.205 -0.233
268 HA PRO 40 HA PRO 40 20.163 4.016 -3.830
269 HB2 PRO 40 1HB PRO 40 22.576 4.024 -5.074
270 HB3 PRO 40 2HB PRO 40 21.068 4.431 -5.901
271 HG2 PRO 40 1HG PRO 40 23.158 6.250 -4.768
272 HG3 PRO 40 2HG PRO 40 22.290 6.366 -6.310
273 HD2 PRO 40 1HD PRO 40 21.610 7.838 -4.141
274 HD3 PRO 40 2HD PRO 40 20.415 7.281 -5.329
275 H SER 41 H SER 41 20.438 3.265 -1.752
276 HA SER 41 HA SER 41 23.210 3.242 -0.753
277 HB2 SER 41 1HB SER 41 20.733 3.291 0.984
278 HB3 SER 41 2HB SER 41 22.411 3.400 1.518
279 HG SER 41 HG SER 41 21.233 5.288 -0.233
280 H GLY 42 H GLY 42 20.059 1.607 -0.372
281 HA2 GLY 42 1HA GLY 42 21.437 -0.891 0.246
282 HA3 GLY 42 2HA GLY 42 19.707 -0.601 0.358
283 HA PRO 43 HA PRO 43 19.161 -2.794 -3.401
284 HB2 PRO 43 1HB PRO 43 16.855 -1.667 -4.286
285 HB3 PRO 43 2HB PRO 43 16.914 -2.789 -2.921
286 HG2 PRO 43 1HG PRO 43 16.790 0.202 -2.911
287 HG3 PRO 43 2HG PRO 43 15.910 -0.957 -1.898
288 HD2 PRO 43 1HD PRO 43 18.101 0.372 -1.024
289 HD3 PRO 43 2HD PRO 43 17.702 -1.271 -0.482
290 H SER 44 H SER 44 19.925 -2.619 -5.422
291 HA SER 44 HA SER 44 20.568 0.046 -6.429
292 HB2 SER 44 1HB SER 44 22.334 -1.710 -6.358
293 HB3 SER 44 2HB SER 44 21.398 -2.656 -7.515
294 HG SER 44 HG SER 44 22.252 -0.002 -8.017
295 H SER 45 H SER 45 19.293 -2.984 -7.820
296 HA SER 45 HA SER 45 18.291 -1.807 -10.163
297 HB2 SER 45 1HB SER 45 17.598 -4.370 -8.729
298 HB3 SER 45 2HB SER 45 16.848 -3.914 -10.258
299 HG SER 45 HG SER 45 18.550 -4.929 -11.015
300 H GLY 46 H GLY 46 16.729 -2.535 -7.063
301 HA2 GLY 46 1HA GLY 46 14.686 -1.910 -6.209
302 HA3 GLY 46 2HA GLY 46 15.035 -0.375 -6.989
Start of MODEL 5
1 H1 GLY 1 H GLY 1 5.469 -33.302 7.544
2 HA2 GLY 1 1HA GLY 1 7.517 -35.212 6.924
3 HA3 GLY 1 2HA GLY 1 6.553 -34.791 5.517
4 H SER 2 H SER 2 6.110 -32.163 5.727
5 HA SER 2 HA SER 2 8.603 -30.795 6.324
6 HB2 SER 2 1HB SER 2 7.488 -31.027 3.525
7 HB3 SER 2 2HB SER 2 8.644 -29.782 4.001
8 HG SER 2 HG SER 2 9.297 -32.399 4.661
9 H SER 3 H SER 3 8.411 -28.462 6.199
10 HA SER 3 HA SER 3 5.723 -27.603 6.909
11 HB2 SER 3 1HB SER 3 6.719 -25.723 7.917
12 HB3 SER 3 2HB SER 3 7.877 -27.021 8.209
13 HG SER 3 HG SER 3 8.993 -25.247 7.446
14 H GLY 4 H GLY 4 4.917 -25.497 6.092
15 HA2 GLY 4 1HA GLY 4 5.805 -24.100 3.911
16 HA3 GLY 4 2HA GLY 4 4.979 -25.490 3.224
17 H SER 5 H SER 5 4.134 -22.893 2.741
18 HA SER 5 HA SER 5 1.420 -23.054 3.705
19 HB2 SER 5 1HB SER 5 2.839 -21.716 5.425
20 HB3 SER 5 2HB SER 5 2.818 -20.440 4.208
21 HG SER 5 HG SER 5 0.460 -20.727 4.246
22 H SER 6 H SER 6 -0.006 -22.191 2.283
23 HA SER 6 HA SER 6 0.696 -21.714 -0.338
24 HB2 SER 6 1HB SER 6 -1.551 -20.901 -0.678
25 HB3 SER 6 2HB SER 6 -1.614 -22.203 0.510
26 HG SER 6 HG SER 6 -1.595 -19.424 1.096
27 H GLY 7 H GLY 7 0.153 -19.342 2.246
28 HA2 GLY 7 1HA GLY 7 1.982 -17.503 1.881
29 HA3 GLY 7 2HA GLY 7 1.012 -17.193 0.448
30 H THR 8 H THR 8 1.434 -16.515 3.723
31 HA THR 8 HA THR 8 -1.269 -15.801 4.353
32 HB THR 8 HB THR 8 1.294 -14.988 5.740
33 HG1 THR 8 HG1 THR 8 1.059 -17.217 5.828
34 HG21 THR 8 3HG2 THR 8 -1.558 -14.964 6.735
35 HG22 THR 8 1HG2 THR 8 -0.626 -13.539 6.277
36 HG23 THR 8 2HG2 THR 8 -0.127 -14.512 7.660
37 H GLY 9 H GLY 9 -1.820 -14.433 2.572
38 HA2 GLY 9 1HA GLY 9 -1.530 -11.679 3.121
39 HA3 GLY 9 2HA GLY 9 -0.444 -12.122 1.813
40 H GLU 10 H GLU 10 -3.839 -12.235 2.823
41 HA GLU 10 HA GLU 10 -4.631 -12.403 0.002
42 HB2 GLU 10 1HB GLU 10 -5.564 -14.042 1.677
43 HB3 GLU 10 2HB GLU 10 -6.399 -12.692 2.432
44 HG2 GLU 10 1HG GLU 10 -8.020 -13.600 1.068
45 HG3 GLU 10 2HG GLU 10 -7.385 -12.278 0.090
46 H LYS 11 H LYS 11 -4.673 -10.336 2.785
47 HA LYS 11 HA LYS 11 -6.655 -8.571 2.504
48 HB2 LYS 11 1HB LYS 11 -3.742 -8.118 3.032
49 HB3 LYS 11 2HB LYS 11 -4.825 -6.737 2.910
50 HG2 LYS 11 1HG LYS 11 -4.938 -7.092 5.146
51 HG3 LYS 11 2HG LYS 11 -6.244 -8.162 4.630
52 HD2 LYS 11 1HD LYS 11 -4.702 -10.062 4.669
53 HD3 LYS 11 2HD LYS 11 -3.393 -8.992 5.175
54 HE2 LYS 11 1HE LYS 11 -4.266 -10.142 7.103
55 HE3 LYS 11 2HE LYS 11 -4.690 -8.434 7.207
56 HZ1 LYS 11 3HZ LYS 11 -6.567 -10.409 6.066
57 HZ2 LYS 11 1HZ LYS 11 -6.900 -8.873 6.695
58 HZ3 LYS 11 2HZ LYS 11 -6.486 -10.142 7.735
59 HA PRO 12 HA PRO 12 -6.670 -6.909 -1.570
60 HB2 PRO 12 1HB PRO 12 -7.977 -4.578 -1.090
61 HB3 PRO 12 2HB PRO 12 -8.786 -6.150 -1.094
62 HG2 PRO 12 1HG PRO 12 -7.821 -4.521 1.225
63 HG3 PRO 12 2HG PRO 12 -9.343 -5.412 1.040
64 HD2 PRO 12 1HD PRO 12 -7.249 -6.385 2.453
65 HD3 PRO 12 2HD PRO 12 -8.369 -7.434 1.562
66 H TYR 13 H TYR 13 -5.137 -5.327 1.075
67 HA TYR 13 HA TYR 13 -3.546 -3.734 -0.818
68 HB2 TYR 13 1HB TYR 13 -4.303 -2.764 1.938
69 HB3 TYR 13 2HB TYR 13 -3.522 -1.852 0.651
70 HD1 TYR 13 HD2 TYR 13 -4.837 -1.189 -1.359
71 HD2 TYR 13 HD1 TYR 13 -6.671 -2.973 2.041
72 HE1 TYR 13 HE2 TYR 13 -7.033 -0.396 -2.133
73 HE2 TYR 13 HE1 TYR 13 -8.871 -2.185 1.275
74 HH TYR 13 HH TYR 13 -9.898 -0.692 -0.153
75 H GLU 14 H GLU 14 -1.407 -3.955 -0.609
76 HA GLU 14 HA GLU 14 -0.213 -4.702 1.921
77 HB2 GLU 14 1HB GLU 14 -0.906 -6.863 0.861
78 HB3 GLU 14 2HB GLU 14 0.161 -6.490 -0.485
79 HG2 GLU 14 1HG GLU 14 2.086 -6.655 0.864
80 HG3 GLU 14 2HG GLU 14 1.136 -6.654 2.348
81 H CYS 15 H CYS 15 2.005 -4.292 2.024
82 HA CYS 15 HA CYS 15 2.944 -2.291 0.218
83 HB2 CYS 15 1HB CYS 15 3.450 -2.656 2.769
84 HB3 CYS 15 2HB CYS 15 4.748 -3.681 2.164
85 H ASP 16 H ASP 16 5.334 -2.504 -0.556
86 HA ASP 16 HA ASP 16 5.563 -5.075 -1.979
87 HB2 ASP 16 1HB ASP 16 6.518 -3.939 -3.830
88 HB3 ASP 16 2HB ASP 16 5.123 -2.977 -3.347
89 H VAL 17 H VAL 17 7.209 -2.680 -0.054
90 HA VAL 17 HA VAL 17 9.808 -3.908 -0.367
91 HB VAL 17 HB VAL 17 8.868 -1.721 1.493
92 HG11 VAL 17 1HG1 VAL 17 10.815 -1.819 2.557
93 HG12 VAL 17 2HG1 VAL 17 11.163 -3.318 1.695
94 HG13 VAL 17 3HG1 VAL 17 11.701 -1.774 1.034
95 HG21 VAL 17 3HG2 VAL 17 8.836 -0.665 -0.521
96 HG22 VAL 17 1HG2 VAL 17 10.556 -0.501 -0.167
97 HG23 VAL 17 2HG2 VAL 17 9.995 -1.776 -1.248
98 H CYS 18 H CYS 18 7.481 -3.497 2.300
99 HA CYS 18 HA CYS 18 8.824 -5.706 3.708
100 HB2 CYS 18 1HB CYS 18 7.817 -4.826 5.760
101 HB3 CYS 18 2HB CYS 18 8.768 -3.585 4.950
102 H ARG 19 H ARG 19 6.323 -5.236 1.707
103 HA ARG 19 HA ARG 19 4.249 -6.163 1.387
104 HB2 ARG 19 1HB ARG 19 6.101 -8.330 2.238
105 HB3 ARG 19 2HB ARG 19 4.392 -8.727 2.126
106 HG2 ARG 19 1HG ARG 19 5.055 -9.263 0.019
107 HG3 ARG 19 2HG ARG 19 4.626 -7.569 -0.228
108 HD2 ARG 19 1HD ARG 19 6.711 -7.788 -1.260
109 HD3 ARG 19 2HD ARG 19 7.078 -7.065 0.306
110 HE ARG 19 HE ARG 19 7.390 -9.661 0.837
111 HH11 ARG 19 1HH1 ARG 19 8.528 -7.714 -1.815
112 HH12 ARG 19 2HH1 ARG 19 9.957 -8.660 -2.068
113 HH21 ARG 19 1HH2 ARG 19 9.268 -10.915 0.514
114 HH22 ARG 19 2HH2 ARG 19 10.376 -10.481 -0.743
115 H LYS 20 H LYS 20 4.230 -4.696 3.716
116 HA LYS 20 HA LYS 20 3.131 -6.276 5.866
117 HB2 LYS 20 1HB LYS 20 4.501 -4.212 6.231
118 HB3 LYS 20 2HB LYS 20 3.173 -3.269 5.567
119 HG2 LYS 20 1HG LYS 20 1.719 -4.026 7.368
120 HG3 LYS 20 2HG LYS 20 3.035 -5.000 8.028
121 HD2 LYS 20 1HD LYS 20 3.149 -2.007 7.669
122 HD3 LYS 20 2HD LYS 20 2.711 -2.811 9.178
123 HE2 LYS 20 1HE LYS 20 5.325 -3.144 7.708
124 HE3 LYS 20 2HE LYS 20 5.075 -2.131 9.129
125 HZ1 LYS 20 3HZ LYS 20 4.713 -5.078 9.027
126 HZ2 LYS 20 1HZ LYS 20 4.485 -4.102 10.390
127 HZ3 LYS 20 2HZ LYS 20 6.028 -4.270 9.720
128 H ALA 21 H ALA 21 1.009 -6.363 6.531
129 HA ALA 21 HA ALA 21 -0.964 -5.775 4.483
130 HB1 ALA 21 3HB ALA 21 -1.151 -7.243 7.107
131 HB2 ALA 21 1HB ALA 21 -2.513 -6.999 6.013
132 HB3 ALA 21 2HB ALA 21 -1.115 -7.937 5.486
133 H PHE 22 H PHE 22 -2.645 -4.349 4.664
134 HA PHE 22 HA PHE 22 -2.791 -2.717 7.103
135 HB2 PHE 22 1HB PHE 22 -2.832 -1.624 4.282
136 HB3 PHE 22 2HB PHE 22 -3.024 -0.684 5.757
137 HD1 PHE 22 HD1 PHE 22 -0.650 -2.727 3.804
138 HD2 PHE 22 HD2 PHE 22 -1.154 0.050 6.990
139 HE1 PHE 22 HE1 PHE 22 1.788 -2.412 3.911
140 HE2 PHE 22 HE2 PHE 22 1.282 0.370 7.102
141 HZ PHE 22 HZ PHE 22 2.757 -0.861 5.561
142 H SER 23 H SER 23 -4.346 -3.961 4.221
143 HA SER 23 HA SER 23 -6.526 -4.321 3.679
144 HB2 SER 23 1HB SER 23 -6.561 -4.362 6.667
145 HB3 SER 23 2HB SER 23 -8.102 -4.349 5.810
146 HG SER 23 HG SER 23 -7.768 -6.334 5.181
147 H HIS 24 H HIS 24 -5.481 -1.607 3.709
148 HA HIS 24 HA HIS 24 -7.943 -0.211 3.336
149 HB2 HIS 24 1HB HIS 24 -7.300 -0.157 5.907
150 HB3 HIS 24 2HB HIS 24 -6.223 1.130 5.375
151 HD1 HIS 24 HD1 HIS 24 -8.093 2.470 3.299
152 HD2 HIS 24 HD2 HIS 24 -9.244 1.323 7.123
153 HE1 HIS 24 HE1 HIS 24 -10.087 3.897 3.857
154 H HIS 25 H HIS 25 -7.474 0.680 1.437
155 HA HIS 25 HA HIS 25 -5.067 1.188 0.289
156 HB2 HIS 25 1HB HIS 25 -6.167 2.662 -1.233
157 HB3 HIS 25 2HB HIS 25 -7.347 1.439 -0.770
158 HD1 HIS 25 HD1 HIS 25 -8.969 2.296 1.319
159 HD2 HIS 25 HD2 HIS 25 -7.128 5.178 -1.041
160 HE1 HIS 25 HE1 HIS 25 -10.280 4.410 1.693
161 H ALA 26 H ALA 26 -6.881 3.418 2.368
162 HA ALA 26 HA ALA 26 -5.083 5.577 2.191
163 HB1 ALA 26 3HB ALA 26 -6.164 6.150 4.492
164 HB2 ALA 26 1HB ALA 26 -7.141 6.189 3.024
165 HB3 ALA 26 2HB ALA 26 -7.234 4.802 4.110
166 H SER 27 H SER 27 -5.127 2.701 4.180
167 HA SER 27 HA SER 27 -3.156 3.597 6.044
168 HB2 SER 27 1HB SER 27 -4.240 0.859 5.369
169 HB3 SER 27 2HB SER 27 -3.027 1.129 6.620
170 HG SER 27 HG SER 27 -5.405 2.623 6.639
171 H LEU 28 H LEU 28 -3.093 1.978 2.953
172 HA LEU 28 HA LEU 28 -0.299 1.266 3.159
173 HB2 LEU 28 1HB LEU 28 -1.862 -0.150 1.924
174 HB3 LEU 28 2HB LEU 28 -2.190 1.178 0.812
175 HG LEU 28 HG LEU 28 0.198 1.082 0.101
176 HD11 LEU 28 1HD1 LEU 28 0.500 -1.635 1.194
177 HD12 LEU 28 2HD1 LEU 28 0.638 -0.319 2.359
178 HD13 LEU 28 3HD1 LEU 28 1.699 -0.364 0.951
179 HD21 LEU 28 3HD2 LEU 28 -1.571 -1.327 -0.239
180 HD22 LEU 28 1HD2 LEU 28 -0.066 -1.108 -1.133
181 HD23 LEU 28 2HD2 LEU 28 -1.381 0.052 -1.324
182 H THR 29 H THR 29 -2.257 3.608 1.352
183 HA THR 29 HA THR 29 -0.260 4.769 -0.185
184 HB THR 29 HB THR 29 -2.833 5.221 -0.131
185 HG1 THR 29 HG1 THR 29 -1.261 7.526 -0.573
186 HG21 THR 29 3HG2 THR 29 -3.546 7.158 1.039
187 HG22 THR 29 1HG2 THR 29 -1.896 7.572 1.505
188 HG23 THR 29 2HG2 THR 29 -2.687 6.165 2.216
189 H GLN 30 H GLN 30 -1.088 5.285 3.187
190 HA GLN 30 HA GLN 30 0.639 7.562 3.492
191 HB2 GLN 30 1HB GLN 30 -1.051 5.905 5.313
192 HB3 GLN 30 2HB GLN 30 0.208 6.911 6.016
193 HG2 GLN 30 1HG GLN 30 -0.777 8.871 4.886
194 HG3 GLN 30 2HG GLN 30 -2.078 7.839 4.294
195 HE21 GLN 30 1HE2 GLN 30 -2.849 9.938 5.686
196 HE22 GLN 30 2HE2 GLN 30 -3.356 9.504 7.280
197 H HIS 31 H HIS 31 0.723 4.208 4.698
198 HA HIS 31 HA HIS 31 3.191 4.266 5.937
199 HB2 HIS 31 1HB HIS 31 1.930 2.322 6.279
200 HB3 HIS 31 2HB HIS 31 1.672 2.073 4.554
201 HD1 HIS 31 HD1 HIS 31 4.235 1.582 7.252
202 HD2 HIS 31 HD2 HIS 31 3.651 0.625 3.251
203 HE1 HIS 31 HE1 HIS 31 6.034 -0.083 6.689
204 H GLN 32 H GLN 32 2.494 3.368 2.561
205 HA GLN 32 HA GLN 32 4.903 2.691 1.583
206 HB2 GLN 32 1HB GLN 32 2.669 4.288 0.438
207 HB3 GLN 32 2HB GLN 32 4.179 4.240 -0.463
208 HG2 GLN 32 1HG GLN 32 2.773 1.758 0.469
209 HG3 GLN 32 2HG GLN 32 2.429 2.527 -1.080
210 HE21 GLN 32 1HE2 GLN 32 3.247 1.148 -2.516
211 HE22 GLN 32 2HE2 GLN 32 4.883 0.593 -2.545
212 H ARG 33 H ARG 33 4.019 5.831 2.763
213 HA ARG 33 HA ARG 33 5.923 7.457 1.579
214 HB2 ARG 33 1HB ARG 33 4.844 7.565 4.401
215 HB3 ARG 33 2HB ARG 33 5.738 8.863 3.621
216 HG2 ARG 33 1HG ARG 33 3.319 7.819 2.253
217 HG3 ARG 33 2HG ARG 33 3.104 8.827 3.686
218 HD2 ARG 33 1HD ARG 33 3.101 10.393 1.987
219 HD3 ARG 33 2HD ARG 33 4.786 10.413 2.506
220 HE ARG 33 HE ARG 33 4.662 8.555 0.486
221 HH11 ARG 33 1HH1 ARG 33 3.940 11.942 0.835
222 HH12 ARG 33 2HH1 ARG 33 4.306 12.324 -0.815
223 HH21 ARG 33 1HH2 ARG 33 5.147 9.044 -1.688
224 HH22 ARG 33 2HH2 ARG 33 4.992 10.674 -2.249
225 H VAL 34 H VAL 34 6.213 5.499 4.530
226 HA VAL 34 HA VAL 34 8.754 6.220 5.331
227 HB VAL 34 HB VAL 34 8.936 3.994 6.373
228 HG11 VAL 34 1HG1 VAL 34 6.114 4.593 6.904
229 HG12 VAL 34 2HG1 VAL 34 7.498 4.569 8.000
230 HG13 VAL 34 3HG1 VAL 34 7.193 5.985 6.993
231 HG21 VAL 34 3HG2 VAL 34 7.309 3.194 4.247
232 HG22 VAL 34 1HG2 VAL 34 7.875 2.203 5.592
233 HG23 VAL 34 2HG2 VAL 34 6.313 3.016 5.692
234 H HIS 35 H HIS 35 7.824 4.545 2.505
235 HA HIS 35 HA HIS 35 10.574 3.601 2.060
236 HB2 HIS 35 1HB HIS 35 8.050 2.826 0.583
237 HB3 HIS 35 2HB HIS 35 9.649 2.124 0.352
238 HD1 HIS 35 HD1 HIS 35 10.512 1.498 3.162
239 HD2 HIS 35 HD2 HIS 35 6.630 0.884 1.816
240 HE1 HIS 35 HE1 HIS 35 9.535 -0.239 4.696
241 H SER 36 H SER 36 11.278 5.759 1.541
242 HA SER 36 HA SER 36 10.386 7.600 -0.165
243 HB2 SER 36 1HB SER 36 13.175 6.477 0.047
244 HB3 SER 36 2HB SER 36 12.808 7.855 -0.990
245 HG SER 36 HG SER 36 11.885 7.956 1.634
246 H GLY 37 H GLY 37 9.786 7.794 -2.233
247 HA2 GLY 37 1HA GLY 37 10.846 6.004 -4.262
248 HA3 GLY 37 2HA GLY 37 9.129 5.832 -3.930
249 H GLU 38 H GLU 38 11.244 7.205 -5.986
250 HA GLU 38 HA GLU 38 11.190 8.928 -7.478
251 HB2 GLU 38 1HB GLU 38 9.034 7.580 -7.934
252 HB3 GLU 38 2HB GLU 38 8.201 8.922 -7.163
253 HG2 GLU 38 1HG GLU 38 9.472 10.392 -8.854
254 HG3 GLU 38 2HG GLU 38 9.737 8.883 -9.726
255 H LYS 39 H LYS 39 11.713 9.816 -4.944
256 HA LYS 39 HA LYS 39 10.411 12.449 -4.967
257 HB2 LYS 39 1HB LYS 39 10.062 12.474 -2.646
258 HB3 LYS 39 2HB LYS 39 9.532 10.873 -3.144
259 HG2 LYS 39 1HG LYS 39 11.919 10.129 -2.527
260 HG3 LYS 39 2HG LYS 39 12.000 11.659 -1.649
261 HD2 LYS 39 1HD LYS 39 9.667 9.837 -1.239
262 HD3 LYS 39 2HD LYS 39 11.199 9.490 -0.434
263 HE2 LYS 39 1HE LYS 39 11.125 11.909 0.373
264 HE3 LYS 39 2HE LYS 39 9.443 11.914 -0.154
265 HZ1 LYS 39 3HZ LYS 39 8.932 11.024 1.794
266 HZ2 LYS 39 1HZ LYS 39 10.561 10.846 2.217
267 HZ3 LYS 39 2HZ LYS 39 9.772 9.623 1.355
268 HA PRO 40 HA PRO 40 14.490 14.069 -4.777
269 HB2 PRO 40 1HB PRO 40 14.032 16.423 -3.504
270 HB3 PRO 40 2HB PRO 40 13.552 16.127 -5.180
271 HG2 PRO 40 1HG PRO 40 11.900 16.007 -2.686
272 HG3 PRO 40 2HG PRO 40 11.495 16.707 -4.264
273 HD2 PRO 40 1HD PRO 40 10.608 14.272 -3.480
274 HD3 PRO 40 2HD PRO 40 10.960 14.659 -5.176
275 H SER 41 H SER 41 16.220 14.629 -3.339
276 HA SER 41 HA SER 41 15.733 13.947 -0.517
277 HB2 SER 41 1HB SER 41 16.770 12.018 -1.601
278 HB3 SER 41 2HB SER 41 18.068 13.040 -2.219
279 HG SER 41 HG SER 41 17.631 12.066 0.349
280 H GLY 42 H GLY 42 18.621 14.903 -2.363
281 HA2 GLY 42 1HA GLY 42 19.142 17.388 -2.215
282 HA3 GLY 42 2HA GLY 42 18.934 17.158 -0.485
283 HA PRO 43 HA PRO 43 23.231 16.334 -0.158
284 HB2 PRO 43 1HB PRO 43 23.254 14.828 2.100
285 HB3 PRO 43 2HB PRO 43 22.963 16.571 2.112
286 HG2 PRO 43 1HG PRO 43 20.992 14.322 2.246
287 HG3 PRO 43 2HG PRO 43 21.032 15.832 3.175
288 HD2 PRO 43 1HD PRO 43 19.406 15.478 1.040
289 HD3 PRO 43 2HD PRO 43 20.097 17.058 1.462
290 H SER 44 H SER 44 23.781 15.041 -1.889
291 HA SER 44 HA SER 44 23.029 12.314 -2.132
292 HB2 SER 44 1HB SER 44 24.828 12.267 -3.903
293 HB3 SER 44 2HB SER 44 23.602 13.514 -4.127
294 HG SER 44 HG SER 44 25.373 14.685 -4.329
295 H SER 45 H SER 45 23.573 11.395 -0.105
296 HA SER 45 HA SER 45 26.404 10.650 0.085
297 HB2 SER 45 1HB SER 45 25.595 12.529 1.741
298 HB3 SER 45 2HB SER 45 24.882 11.171 2.612
299 HG SER 45 HG SER 45 27.087 11.759 3.220
300 H GLY 46 H GLY 46 26.804 8.602 0.937
301 HA2 GLY 46 1HA GLY 46 25.158 6.903 2.296
302 HA3 GLY 46 2HA GLY 46 24.640 6.734 0.625
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -5.498 -27.071 -0.673
2 HA2 GLY 1 1HA GLY 1 -6.819 -29.706 -0.648
3 HA3 GLY 1 2HA GLY 1 -5.120 -29.424 -0.296
4 H SER 2 H SER 2 -8.177 -28.048 0.922
5 HA SER 2 HA SER 2 -8.690 -27.412 3.084
6 HB2 SER 2 1HB SER 2 -9.314 -29.290 4.371
7 HB3 SER 2 2HB SER 2 -9.394 -29.856 2.703
8 HG SER 2 HG SER 2 -7.942 -31.280 3.191
9 H SER 3 H SER 3 -6.057 -26.699 2.584
10 HA SER 3 HA SER 3 -4.053 -27.614 4.198
11 HB2 SER 3 1HB SER 3 -4.690 -24.715 3.596
12 HB3 SER 3 2HB SER 3 -3.137 -25.320 4.171
13 HG SER 3 HG SER 3 -4.409 -26.055 1.740
14 H GLY 4 H GLY 4 -6.547 -25.238 5.096
15 HA2 GLY 4 1HA GLY 4 -7.545 -24.977 7.189
16 HA3 GLY 4 2HA GLY 4 -6.387 -26.119 7.856
17 H SER 5 H SER 5 -6.704 -22.798 6.659
18 HA SER 5 HA SER 5 -4.518 -22.031 8.481
19 HB2 SER 5 1HB SER 5 -3.971 -20.218 6.993
20 HB3 SER 5 2HB SER 5 -4.066 -21.693 6.031
21 HG SER 5 HG SER 5 -5.311 -20.407 4.873
22 H SER 6 H SER 6 -5.353 -21.184 10.270
23 HA SER 6 HA SER 6 -7.786 -19.552 10.081
24 HB2 SER 6 1HB SER 6 -6.452 -20.785 12.505
25 HB3 SER 6 2HB SER 6 -7.959 -19.868 12.523
26 HG SER 6 HG SER 6 -7.841 -22.380 12.281
27 H GLY 7 H GLY 7 -7.638 -17.415 10.186
28 HA2 GLY 7 1HA GLY 7 -6.839 -15.517 11.563
29 HA3 GLY 7 2HA GLY 7 -5.244 -16.249 11.470
30 H THR 8 H THR 8 -5.036 -16.891 8.822
31 HA THR 8 HA THR 8 -4.464 -14.343 7.671
32 HB THR 8 HB THR 8 -3.831 -15.694 5.638
33 HG1 THR 8 HG1 THR 8 -4.057 -18.005 7.218
34 HG21 THR 8 3HG2 THR 8 -2.586 -15.531 8.180
35 HG22 THR 8 1HG2 THR 8 -1.824 -15.722 6.602
36 HG23 THR 8 2HG2 THR 8 -2.279 -17.145 7.539
37 H GLY 9 H GLY 9 -6.123 -13.092 7.038
38 HA2 GLY 9 1HA GLY 9 -8.363 -14.335 5.598
39 HA3 GLY 9 2HA GLY 9 -8.377 -12.740 6.335
40 H GLU 10 H GLU 10 -9.336 -12.278 4.145
41 HA GLU 10 HA GLU 10 -7.737 -12.353 1.819
42 HB2 GLU 10 1HB GLU 10 -10.215 -10.861 2.610
43 HB3 GLU 10 2HB GLU 10 -9.400 -10.474 1.101
44 HG2 GLU 10 1HG GLU 10 -10.278 -13.255 1.819
45 HG3 GLU 10 2HG GLU 10 -11.300 -12.113 0.948
46 H LYS 11 H LYS 11 -6.171 -11.054 1.101
47 HA LYS 11 HA LYS 11 -5.808 -8.437 2.396
48 HB2 LYS 11 1HB LYS 11 -3.717 -10.542 1.850
49 HB3 LYS 11 2HB LYS 11 -3.310 -8.858 2.155
50 HG2 LYS 11 1HG LYS 11 -3.851 -8.980 4.364
51 HG3 LYS 11 2HG LYS 11 -5.059 -10.243 4.113
52 HD2 LYS 11 1HD LYS 11 -3.324 -11.895 3.798
53 HD3 LYS 11 2HD LYS 11 -2.076 -10.649 3.895
54 HE2 LYS 11 1HE LYS 11 -3.220 -10.174 6.223
55 HE3 LYS 11 2HE LYS 11 -3.748 -11.847 6.050
56 HZ1 LYS 11 3HZ LYS 11 -1.636 -12.631 6.232
57 HZ2 LYS 11 1HZ LYS 11 -1.473 -11.237 7.176
58 HZ3 LYS 11 2HZ LYS 11 -0.924 -11.244 5.577
59 HA PRO 12 HA PRO 12 -5.964 -7.943 -2.195
60 HB2 PRO 12 1HB PRO 12 -7.435 -5.663 -2.117
61 HB3 PRO 12 2HB PRO 12 -8.160 -7.274 -2.082
62 HG2 PRO 12 1HG PRO 12 -7.608 -5.396 0.183
63 HG3 PRO 12 2HG PRO 12 -9.045 -6.389 -0.122
64 HD2 PRO 12 1HD PRO 12 -7.125 -7.110 1.647
65 HD3 PRO 12 2HD PRO 12 -8.058 -8.297 0.714
66 H TYR 13 H TYR 13 -4.936 -6.007 0.475
67 HA TYR 13 HA TYR 13 -3.317 -4.346 -1.344
68 HB2 TYR 13 1HB TYR 13 -4.103 -3.616 1.478
69 HB3 TYR 13 2HB TYR 13 -3.377 -2.573 0.260
70 HD1 TYR 13 HD2 TYR 13 -4.732 -1.834 -1.694
71 HD2 TYR 13 HD1 TYR 13 -6.457 -3.963 1.561
72 HE1 TYR 13 HE2 TYR 13 -6.970 -1.105 -2.410
73 HE2 TYR 13 HE1 TYR 13 -8.699 -3.241 0.853
74 HH TYR 13 HH TYR 13 -9.711 -1.400 -0.460
75 H GLU 14 H GLU 14 -1.156 -3.923 -0.774
76 HA GLU 14 HA GLU 14 0.096 -4.916 1.551
77 HB2 GLU 14 1HB GLU 14 -0.439 -7.078 0.395
78 HB3 GLU 14 2HB GLU 14 0.610 -6.572 -0.922
79 HG2 GLU 14 1HG GLU 14 2.531 -6.724 0.384
80 HG3 GLU 14 2HG GLU 14 1.618 -6.707 1.892
81 H CYS 15 H CYS 15 2.183 -4.187 1.734
82 HA CYS 15 HA CYS 15 2.995 -2.161 -0.111
83 HB2 CYS 15 1HB CYS 15 3.378 -2.377 2.489
84 HB3 CYS 15 2HB CYS 15 4.836 -3.229 1.990
85 H ASP 16 H ASP 16 5.509 -2.163 -0.625
86 HA ASP 16 HA ASP 16 6.096 -4.739 -1.931
87 HB2 ASP 16 1HB ASP 16 6.951 -2.001 -2.887
88 HB3 ASP 16 2HB ASP 16 7.151 -3.532 -3.736
89 H VAL 17 H VAL 17 7.523 -1.869 -0.421
90 HA VAL 17 HA VAL 17 10.187 -2.806 -0.405
91 HB VAL 17 HB VAL 17 8.863 -0.823 1.452
92 HG11 VAL 17 1HG1 VAL 17 11.269 -2.013 1.850
93 HG12 VAL 17 2HG1 VAL 17 11.738 -0.606 0.894
94 HG13 VAL 17 3HG1 VAL 17 10.853 -0.391 2.405
95 HG21 VAL 17 3HG2 VAL 17 9.137 -0.578 -1.231
96 HG22 VAL 17 1HG2 VAL 17 9.146 0.779 -0.105
97 HG23 VAL 17 2HG2 VAL 17 10.669 0.100 -0.679
98 H CYS 18 H CYS 18 7.667 -2.833 2.108
99 HA CYS 18 HA CYS 18 9.307 -4.720 3.653
100 HB2 CYS 18 1HB CYS 18 7.987 -4.106 5.583
101 HB3 CYS 18 2HB CYS 18 8.566 -2.638 4.801
102 H ARG 19 H ARG 19 6.395 -4.398 1.841
103 HA ARG 19 HA ARG 19 4.817 -5.903 1.191
104 HB2 ARG 19 1HB ARG 19 6.637 -7.956 2.462
105 HB3 ARG 19 2HB ARG 19 5.326 -8.286 1.337
106 HG2 ARG 19 1HG ARG 19 7.260 -8.403 0.041
107 HG3 ARG 19 2HG ARG 19 6.593 -6.807 -0.309
108 HD2 ARG 19 1HD ARG 19 8.235 -5.713 0.893
109 HD3 ARG 19 2HD ARG 19 8.596 -7.127 1.882
110 HE ARG 19 HE ARG 19 9.238 -7.385 -0.927
111 HH11 ARG 19 1HH1 ARG 19 10.360 -6.525 2.255
112 HH12 ARG 19 2HH1 ARG 19 12.033 -6.759 1.870
113 HH21 ARG 19 1HH2 ARG 19 11.438 -7.697 -1.445
114 HH22 ARG 19 2HH2 ARG 19 12.645 -7.425 -0.234
115 H LYS 20 H LYS 20 4.185 -4.534 3.408
116 HA LYS 20 HA LYS 20 3.274 -6.435 5.431
117 HB2 LYS 20 1HB LYS 20 4.391 -4.183 5.962
118 HB3 LYS 20 2HB LYS 20 2.863 -3.452 5.487
119 HG2 LYS 20 1HG LYS 20 1.702 -4.655 7.231
120 HG3 LYS 20 2HG LYS 20 3.186 -5.505 7.667
121 HD2 LYS 20 1HD LYS 20 4.187 -3.194 8.080
122 HD3 LYS 20 2HD LYS 20 2.530 -2.590 8.003
123 HE2 LYS 20 1HE LYS 20 3.174 -2.997 10.307
124 HE3 LYS 20 2HE LYS 20 1.905 -4.119 9.820
125 HZ1 LYS 20 3HZ LYS 20 3.724 -5.166 11.094
126 HZ2 LYS 20 1HZ LYS 20 4.797 -4.784 9.844
127 HZ3 LYS 20 2HZ LYS 20 3.514 -5.848 9.560
128 H ALA 21 H ALA 21 1.064 -6.453 6.145
129 HA ALA 21 HA ALA 21 -0.797 -6.017 3.928
130 HB1 ALA 21 3HB ALA 21 -1.761 -7.915 4.565
131 HB2 ALA 21 1HB ALA 21 -0.461 -8.112 5.741
132 HB3 ALA 21 2HB ALA 21 -1.966 -7.323 6.214
133 H PHE 22 H PHE 22 -2.774 -4.934 4.200
134 HA PHE 22 HA PHE 22 -3.193 -3.451 6.677
135 HB2 PHE 22 1HB PHE 22 -3.135 -2.037 4.008
136 HB3 PHE 22 2HB PHE 22 -3.341 -1.308 5.598
137 HD1 PHE 22 HD1 PHE 22 -0.934 -3.033 3.392
138 HD2 PHE 22 HD2 PHE 22 -1.484 -0.714 6.919
139 HE1 PHE 22 HE1 PHE 22 1.498 -2.696 3.546
140 HE2 PHE 22 HE2 PHE 22 0.947 -0.373 7.078
141 HZ PHE 22 HZ PHE 22 2.442 -1.364 5.390
142 H SER 23 H SER 23 -5.325 -2.515 6.844
143 HA SER 23 HA SER 23 -7.321 -4.208 5.666
144 HB2 SER 23 1HB SER 23 -7.637 -1.778 7.445
145 HB3 SER 23 2HB SER 23 -8.907 -2.935 7.049
146 HG SER 23 HG SER 23 -6.536 -3.399 8.530
147 H HIS 24 H HIS 24 -6.806 -0.678 5.655
148 HA HIS 24 HA HIS 24 -8.384 -0.536 3.176
149 HB2 HIS 24 1HB HIS 24 -9.036 0.819 5.269
150 HB3 HIS 24 2HB HIS 24 -7.642 1.826 4.889
151 HD1 HIS 24 HD1 HIS 24 -8.085 3.717 3.352
152 HD2 HIS 24 HD2 HIS 24 -10.947 0.726 2.998
153 HE1 HIS 24 HE1 HIS 24 -9.799 4.613 1.745
154 H HIS 25 H HIS 25 -7.677 1.112 1.585
155 HA HIS 25 HA HIS 25 -5.032 0.661 0.769
156 HB2 HIS 25 1HB HIS 25 -7.091 1.432 -0.605
157 HB3 HIS 25 2HB HIS 25 -6.613 3.057 -0.125
158 HD1 HIS 25 HD1 HIS 25 -5.056 0.038 -1.838
159 HD2 HIS 25 HD2 HIS 25 -4.813 4.185 -1.802
160 HE1 HIS 25 HE1 HIS 25 -3.431 0.632 -3.663
161 H ALA 26 H ALA 26 -6.499 3.663 2.021
162 HA ALA 26 HA ALA 26 -4.497 5.411 2.100
163 HB1 ALA 26 3HB ALA 26 -5.332 6.244 4.271
164 HB2 ALA 26 1HB ALA 26 -6.627 5.895 3.125
165 HB3 ALA 26 2HB ALA 26 -6.286 4.771 4.441
166 H SER 27 H SER 27 -4.905 3.099 4.792
167 HA SER 27 HA SER 27 -2.671 3.557 6.236
168 HB2 SER 27 1HB SER 27 -4.520 1.669 6.401
169 HB3 SER 27 2HB SER 27 -3.269 0.689 5.636
170 HG SER 27 HG SER 27 -2.993 0.524 7.831
171 H LEU 28 H LEU 28 -2.822 1.620 3.273
172 HA LEU 28 HA LEU 28 -0.025 1.000 3.302
173 HB2 LEU 28 1HB LEU 28 -1.336 -0.583 2.210
174 HB3 LEU 28 2HB LEU 28 -2.251 0.642 1.334
175 HG LEU 28 HG LEU 28 -0.232 1.092 -0.040
176 HD11 LEU 28 1HD1 LEU 28 0.863 -1.155 1.619
177 HD12 LEU 28 2HD1 LEU 28 1.571 0.427 1.295
178 HD13 LEU 28 3HD1 LEU 28 1.496 -0.784 0.015
179 HD21 LEU 28 3HD2 LEU 28 -0.361 -1.018 -1.336
180 HD22 LEU 28 1HD2 LEU 28 -1.940 -0.357 -0.913
181 HD23 LEU 28 2HD2 LEU 28 -1.291 -1.731 -0.018
182 H THR 29 H THR 29 -2.079 3.308 1.580
183 HA THR 29 HA THR 29 -0.167 4.349 -0.168
184 HB THR 29 HB THR 29 -2.630 5.567 1.063
185 HG1 THR 29 HG1 THR 29 -2.399 3.890 -0.813
186 HG21 THR 29 3HG2 THR 29 -1.874 7.605 0.551
187 HG22 THR 29 1HG2 THR 29 -1.933 7.121 -1.143
188 HG23 THR 29 2HG2 THR 29 -0.436 6.945 -0.227
189 H GLN 30 H GLN 30 -1.246 5.746 2.937
190 HA GLN 30 HA GLN 30 0.712 7.745 3.053
191 HB2 GLN 30 1HB GLN 30 -1.321 7.758 4.434
192 HB3 GLN 30 2HB GLN 30 -0.719 6.375 5.337
193 HG2 GLN 30 1HG GLN 30 -0.113 8.032 6.756
194 HG3 GLN 30 2HG GLN 30 1.332 7.984 5.747
195 HE21 GLN 30 1HE2 GLN 30 1.367 9.501 3.907
196 HE22 GLN 30 2HE2 GLN 30 0.662 11.063 4.127
197 H HIS 31 H HIS 31 0.647 4.506 4.513
198 HA HIS 31 HA HIS 31 3.022 4.585 5.920
199 HB2 HIS 31 1HB HIS 31 1.742 2.667 6.271
200 HB3 HIS 31 2HB HIS 31 1.540 2.367 4.547
201 HD1 HIS 31 HD1 HIS 31 3.988 1.904 7.353
202 HD2 HIS 31 HD2 HIS 31 3.539 0.843 3.361
203 HE1 HIS 31 HE1 HIS 31 5.770 0.186 6.909
204 H GLN 32 H GLN 32 2.558 3.526 2.550
205 HA GLN 32 HA GLN 32 5.010 2.779 1.770
206 HB2 GLN 32 1HB GLN 32 2.946 4.442 0.391
207 HB3 GLN 32 2HB GLN 32 4.500 4.197 -0.394
208 HG2 GLN 32 1HG GLN 32 2.713 1.974 0.562
209 HG3 GLN 32 2HG GLN 32 2.743 2.594 -1.088
210 HE21 GLN 32 1HE2 GLN 32 3.210 0.180 -1.294
211 HE22 GLN 32 2HE2 GLN 32 4.879 -0.266 -1.333
212 H ARG 33 H ARG 33 4.105 6.000 2.720
213 HA ARG 33 HA ARG 33 6.115 7.543 1.636
214 HB2 ARG 33 1HB ARG 33 4.830 7.726 4.364
215 HB3 ARG 33 2HB ARG 33 5.871 8.972 3.688
216 HG2 ARG 33 1HG ARG 33 3.347 8.016 2.361
217 HG3 ARG 33 2HG ARG 33 3.418 9.392 3.464
218 HD2 ARG 33 1HD ARG 33 5.156 9.186 1.019
219 HD3 ARG 33 2HD ARG 33 3.545 9.903 0.976
220 HE ARG 33 HE ARG 33 4.683 11.281 2.957
221 HH11 ARG 33 1HH1 ARG 33 5.843 10.455 -0.220
222 HH12 ARG 33 2HH1 ARG 33 6.822 11.876 -0.375
223 HH21 ARG 33 1HH2 ARG 33 5.969 13.156 2.766
224 HH22 ARG 33 2HH2 ARG 33 6.894 13.411 1.325
225 H VAL 34 H VAL 34 6.204 5.746 4.709
226 HA VAL 34 HA VAL 34 8.657 6.395 5.676
227 HB VAL 34 HB VAL 34 8.802 4.184 6.687
228 HG11 VAL 34 1HG1 VAL 34 6.428 4.087 7.632
229 HG12 VAL 34 2HG1 VAL 34 7.326 5.592 7.838
230 HG13 VAL 34 3HG1 VAL 34 6.090 5.466 6.586
231 HG21 VAL 34 3HG2 VAL 34 6.349 3.151 5.444
232 HG22 VAL 34 1HG2 VAL 34 7.748 3.236 4.373
233 HG23 VAL 34 2HG2 VAL 34 7.842 2.317 5.876
234 H HIS 35 H HIS 35 7.977 4.610 2.793
235 HA HIS 35 HA HIS 35 10.797 3.847 2.510
236 HB2 HIS 35 1HB HIS 35 8.508 3.043 0.713
237 HB3 HIS 35 2HB HIS 35 10.105 2.307 0.818
238 HD1 HIS 35 HD1 HIS 35 10.526 1.468 3.541
239 HD2 HIS 35 HD2 HIS 35 6.699 1.463 1.922
240 HE1 HIS 35 HE1 HIS 35 9.197 -0.126 4.962
241 H SER 36 H SER 36 12.011 4.447 0.710
242 HA SER 36 HA SER 36 10.852 6.574 -0.966
243 HB2 SER 36 1HB SER 36 13.020 7.750 -0.889
244 HB3 SER 36 2HB SER 36 12.315 7.591 0.720
245 HG SER 36 HG SER 36 13.755 5.465 0.450
246 H GLY 37 H GLY 37 10.513 5.156 -2.685
247 HA2 GLY 37 1HA GLY 37 11.091 3.676 -4.388
248 HA3 GLY 37 2HA GLY 37 12.230 4.973 -4.721
249 H GLU 38 H GLU 38 12.097 2.527 -2.137
250 HA GLU 38 HA GLU 38 14.918 1.973 -2.549
251 HB2 GLU 38 1HB GLU 38 13.877 2.242 -0.265
252 HB3 GLU 38 2HB GLU 38 13.055 0.712 -0.536
253 HG2 GLU 38 1HG GLU 38 15.059 0.426 0.812
254 HG3 GLU 38 2HG GLU 38 15.187 -0.429 -0.725
255 H LYS 39 H LYS 39 15.738 0.214 -3.510
256 HA LYS 39 HA LYS 39 13.837 -1.781 -4.532
257 HB2 LYS 39 1HB LYS 39 15.461 -2.264 -6.260
258 HB3 LYS 39 2HB LYS 39 15.163 -0.531 -6.211
259 HG2 LYS 39 1HG LYS 39 17.250 -0.060 -5.352
260 HG3 LYS 39 2HG LYS 39 17.460 -1.684 -4.692
261 HD2 LYS 39 1HD LYS 39 17.277 -1.231 -7.651
262 HD3 LYS 39 2HD LYS 39 18.804 -1.018 -6.792
263 HE2 LYS 39 1HE LYS 39 18.923 -3.226 -7.471
264 HE3 LYS 39 2HE LYS 39 18.300 -3.371 -5.828
265 HZ1 LYS 39 3HZ LYS 39 16.234 -3.090 -7.802
266 HZ2 LYS 39 1HZ LYS 39 16.395 -4.229 -6.561
267 HZ3 LYS 39 2HZ LYS 39 17.183 -4.470 -8.038
268 HA PRO 40 HA PRO 40 15.533 -4.964 -2.025
269 HB2 PRO 40 1HB PRO 40 15.194 -7.117 -3.645
270 HB3 PRO 40 2HB PRO 40 13.852 -6.313 -2.822
271 HG2 PRO 40 1HG PRO 40 14.785 -6.025 -5.652
272 HG3 PRO 40 2HG PRO 40 13.131 -6.153 -5.027
273 HD2 PRO 40 1HD PRO 40 14.242 -3.787 -5.733
274 HD3 PRO 40 2HD PRO 40 13.053 -3.931 -4.423
275 H SER 41 H SER 41 17.663 -5.010 -1.647
276 HA SER 41 HA SER 41 19.446 -5.861 -3.836
277 HB2 SER 41 1HB SER 41 19.996 -3.933 -1.570
278 HB3 SER 41 2HB SER 41 21.237 -4.557 -2.657
279 HG SER 41 HG SER 41 18.920 -3.211 -3.573
280 H GLY 42 H GLY 42 19.347 -5.679 -0.269
281 HA2 GLY 42 1HA GLY 42 19.319 -7.944 0.835
282 HA3 GLY 42 2HA GLY 42 20.674 -8.319 -0.219
283 HA PRO 43 HA PRO 43 22.099 -5.124 3.171
284 HB2 PRO 43 1HB PRO 43 20.624 -5.210 5.449
285 HB3 PRO 43 2HB PRO 43 20.277 -4.096 4.121
286 HG2 PRO 43 1HG PRO 43 18.983 -6.712 4.785
287 HG3 PRO 43 2HG PRO 43 18.230 -5.188 4.279
288 HD2 PRO 43 1HD PRO 43 18.645 -7.246 2.570
289 HD3 PRO 43 2HD PRO 43 18.702 -5.549 2.052
290 H SER 44 H SER 44 23.242 -5.515 5.231
291 HA SER 44 HA SER 44 23.615 -8.401 5.675
292 HB2 SER 44 1HB SER 44 25.531 -6.849 4.817
293 HB3 SER 44 2HB SER 44 25.622 -6.323 6.498
294 HG SER 44 HG SER 44 26.211 -8.331 7.110
295 H SER 45 H SER 45 23.629 -9.239 7.728
296 HA SER 45 HA SER 45 22.257 -7.683 9.733
297 HB2 SER 45 1HB SER 45 22.325 -9.805 11.047
298 HB3 SER 45 2HB SER 45 21.613 -10.002 9.446
299 HG SER 45 HG SER 45 23.463 -11.466 10.379
300 H GLY 46 H GLY 46 23.049 -6.963 11.668
301 HA2 GLY 46 1HA GLY 46 25.776 -7.608 12.451
302 HA3 GLY 46 2HA GLY 46 25.488 -5.934 12.001
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.406 -29.704 -8.547
2 HA2 GLY 1 1HA GLY 1 1.601 -29.499 -5.942
3 HA3 GLY 1 2HA GLY 1 3.088 -28.785 -6.548
4 H SER 2 H SER 2 0.107 -28.173 -5.132
5 HA SER 2 HA SER 2 0.515 -25.291 -5.462
6 HB2 SER 2 1HB SER 2 -1.852 -24.893 -5.868
7 HB3 SER 2 2HB SER 2 -1.224 -25.994 -7.095
8 HG SER 2 HG SER 2 -3.291 -26.397 -5.586
9 H SER 3 H SER 3 0.187 -24.132 -3.643
10 HA SER 3 HA SER 3 -0.644 -25.628 -1.257
11 HB2 SER 3 1HB SER 3 0.989 -23.100 -1.566
12 HB3 SER 3 2HB SER 3 0.475 -23.751 -0.009
13 HG SER 3 HG SER 3 2.114 -25.052 -1.929
14 H GLY 4 H GLY 4 -2.685 -24.788 -2.946
15 HA2 GLY 4 1HA GLY 4 -4.528 -23.379 -3.105
16 HA3 GLY 4 2HA GLY 4 -4.599 -23.754 -1.390
17 H SER 5 H SER 5 -3.170 -21.491 -3.716
18 HA SER 5 HA SER 5 -3.721 -19.301 -1.889
19 HB2 SER 5 1HB SER 5 -1.368 -20.221 -1.414
20 HB3 SER 5 2HB SER 5 -0.926 -19.563 -2.989
21 HG SER 5 HG SER 5 -2.219 -17.964 -1.061
22 H SER 6 H SER 6 -4.831 -17.951 -3.128
23 HA SER 6 HA SER 6 -4.116 -17.687 -5.962
24 HB2 SER 6 1HB SER 6 -6.504 -18.236 -5.205
25 HB3 SER 6 2HB SER 6 -6.590 -16.563 -4.652
26 HG SER 6 HG SER 6 -6.742 -15.913 -6.652
27 H GLY 7 H GLY 7 -5.163 -15.597 -3.260
28 HA2 GLY 7 1HA GLY 7 -3.976 -13.656 -2.567
29 HA3 GLY 7 2HA GLY 7 -3.205 -13.599 -4.146
30 H THR 8 H THR 8 -6.651 -13.905 -3.391
31 HA THR 8 HA THR 8 -7.123 -11.173 -4.301
32 HB THR 8 HB THR 8 -8.776 -11.795 -5.947
33 HG1 THR 8 HG1 THR 8 -8.204 -14.429 -5.062
34 HG21 THR 8 3HG2 THR 8 -6.134 -13.207 -6.286
35 HG22 THR 8 1HG2 THR 8 -6.585 -11.603 -6.864
36 HG23 THR 8 2HG2 THR 8 -7.315 -13.038 -7.585
37 H GLY 9 H GLY 9 -8.676 -10.212 -3.142
38 HA2 GLY 9 1HA GLY 9 -11.063 -10.584 -2.348
39 HA3 GLY 9 2HA GLY 9 -10.379 -11.939 -1.461
40 H GLU 10 H GLU 10 -9.491 -11.596 0.502
41 HA GLU 10 HA GLU 10 -9.782 -8.939 1.629
42 HB2 GLU 10 1HB GLU 10 -9.035 -11.595 2.859
43 HB3 GLU 10 2HB GLU 10 -9.150 -10.095 3.769
44 HG2 GLU 10 1HG GLU 10 -11.217 -10.949 4.162
45 HG3 GLU 10 2HG GLU 10 -11.552 -10.019 2.703
46 H LYS 11 H LYS 11 -8.123 -7.781 2.664
47 HA LYS 11 HA LYS 11 -6.050 -6.847 2.779
48 HB2 LYS 11 1HB LYS 11 -4.850 -9.591 2.614
49 HB3 LYS 11 2HB LYS 11 -4.334 -8.213 3.578
50 HG2 LYS 11 1HG LYS 11 -6.323 -8.490 4.999
51 HG3 LYS 11 2HG LYS 11 -6.775 -9.912 4.055
52 HD2 LYS 11 1HD LYS 11 -4.437 -10.798 4.652
53 HD3 LYS 11 2HD LYS 11 -4.423 -9.534 5.883
54 HE2 LYS 11 1HE LYS 11 -6.179 -10.492 7.063
55 HE3 LYS 11 2HE LYS 11 -6.740 -11.417 5.670
56 HZ1 LYS 11 3HZ LYS 11 -4.697 -12.064 7.621
57 HZ2 LYS 11 1HZ LYS 11 -4.299 -12.435 6.018
58 HZ3 LYS 11 2HZ LYS 11 -5.695 -13.087 6.716
59 HA PRO 12 HA PRO 12 -5.366 -7.952 -1.808
60 HB2 PRO 12 1HB PRO 12 -6.738 -5.887 -2.915
61 HB3 PRO 12 2HB PRO 12 -7.478 -7.454 -2.565
62 HG2 PRO 12 1HG PRO 12 -7.587 -4.913 -0.986
63 HG3 PRO 12 2HG PRO 12 -8.889 -6.060 -1.352
64 HD2 PRO 12 1HD PRO 12 -7.607 -6.025 1.032
65 HD3 PRO 12 2HD PRO 12 -8.245 -7.517 0.313
66 H TYR 13 H TYR 13 -4.640 -5.674 0.455
67 HA TYR 13 HA TYR 13 -2.866 -4.220 -1.396
68 HB2 TYR 13 1HB TYR 13 -3.985 -3.117 1.185
69 HB3 TYR 13 2HB TYR 13 -3.076 -2.245 -0.044
70 HD1 TYR 13 HD2 TYR 13 -4.137 -1.809 -2.271
71 HD2 TYR 13 HD1 TYR 13 -6.334 -3.389 1.012
72 HE1 TYR 13 HE2 TYR 13 -6.238 -1.169 -3.377
73 HE2 TYR 13 HE1 TYR 13 -8.442 -2.754 -0.085
74 HH TYR 13 HH TYR 13 -8.464 -0.914 -3.095
75 H GLU 14 H GLU 14 -0.753 -4.347 -0.990
76 HA GLU 14 HA GLU 14 0.248 -4.760 1.690
77 HB2 GLU 14 1HB GLU 14 -0.340 -7.050 0.589
78 HB3 GLU 14 2HB GLU 14 1.117 -6.774 -0.356
79 HG2 GLU 14 1HG GLU 14 2.401 -6.567 1.735
80 HG3 GLU 14 2HG GLU 14 0.936 -6.935 2.644
81 H CYS 15 H CYS 15 2.385 -4.158 1.934
82 HA CYS 15 HA CYS 15 3.426 -2.383 -0.024
83 HB2 CYS 15 1HB CYS 15 3.743 -2.497 2.605
84 HB3 CYS 15 2HB CYS 15 5.158 -3.448 2.163
85 H ASP 16 H ASP 16 5.966 -2.632 -0.429
86 HA ASP 16 HA ASP 16 6.385 -5.333 -1.532
87 HB2 ASP 16 1HB ASP 16 5.907 -3.544 -3.246
88 HB3 ASP 16 2HB ASP 16 7.409 -2.766 -2.753
89 H VAL 17 H VAL 17 8.042 -2.374 -0.463
90 HA VAL 17 HA VAL 17 10.619 -3.480 -0.290
91 HB VAL 17 HB VAL 17 9.425 -1.186 1.273
92 HG11 VAL 17 1HG1 VAL 17 11.911 -2.517 1.599
93 HG12 VAL 17 2HG1 VAL 17 12.227 -0.926 0.903
94 HG13 VAL 17 3HG1 VAL 17 11.325 -1.066 2.412
95 HG21 VAL 17 3HG2 VAL 17 11.110 -1.192 -1.230
96 HG22 VAL 17 1HG2 VAL 17 9.374 -0.886 -1.162
97 HG23 VAL 17 2HG2 VAL 17 10.497 0.232 -0.388
98 H CYS 18 H CYS 18 8.169 -2.968 2.246
99 HA CYS 18 HA CYS 18 9.703 -4.714 4.032
100 HB2 CYS 18 1HB CYS 18 8.423 -3.805 5.835
101 HB3 CYS 18 2HB CYS 18 8.919 -2.454 4.822
102 H ARG 19 H ARG 19 6.887 -4.641 2.075
103 HA ARG 19 HA ARG 19 5.285 -6.187 1.609
104 HB2 ARG 19 1HB ARG 19 7.173 -8.001 3.119
105 HB3 ARG 19 2HB ARG 19 5.760 -8.560 2.232
106 HG2 ARG 19 1HG ARG 19 7.934 -6.970 0.912
107 HG3 ARG 19 2HG ARG 19 8.016 -8.725 1.073
108 HD2 ARG 19 1HD ARG 19 5.564 -7.464 -0.070
109 HD3 ARG 19 2HD ARG 19 7.001 -7.631 -1.077
110 HE ARG 19 HE ARG 19 6.730 -10.111 -0.129
111 HH11 ARG 19 1HH1 ARG 19 4.403 -7.918 -1.507
112 HH12 ARG 19 2HH1 ARG 19 3.410 -9.177 -2.163
113 HH21 ARG 19 1HH2 ARG 19 5.432 -11.778 -0.989
114 HH22 ARG 19 2HH2 ARG 19 3.996 -11.372 -1.868
115 H LYS 20 H LYS 20 4.592 -4.538 3.591
116 HA LYS 20 HA LYS 20 3.656 -6.117 5.858
117 HB2 LYS 20 1HB LYS 20 4.678 -3.858 6.190
118 HB3 LYS 20 2HB LYS 20 3.311 -3.160 5.331
119 HG2 LYS 20 1HG LYS 20 1.810 -3.706 7.037
120 HG3 LYS 20 2HG LYS 20 2.925 -4.862 7.768
121 HD2 LYS 20 1HD LYS 20 4.331 -3.128 8.575
122 HD3 LYS 20 2HD LYS 20 3.501 -1.911 7.602
123 HE2 LYS 20 1HE LYS 20 2.564 -1.532 9.664
124 HE3 LYS 20 2HE LYS 20 1.411 -2.678 8.982
125 HZ1 LYS 20 3HZ LYS 20 1.761 -3.747 10.908
126 HZ2 LYS 20 1HZ LYS 20 3.254 -3.002 11.193
127 HZ3 LYS 20 2HZ LYS 20 3.156 -4.327 10.147
128 H ALA 21 H ALA 21 1.461 -6.259 6.453
129 HA ALA 21 HA ALA 21 -0.368 -6.098 4.170
130 HB1 ALA 21 3HB ALA 21 -1.639 -7.342 6.356
131 HB2 ALA 21 1HB ALA 21 -1.035 -8.091 4.877
132 HB3 ALA 21 2HB ALA 21 0.008 -7.971 6.295
133 H PHE 22 H PHE 22 -2.292 -4.984 4.232
134 HA PHE 22 HA PHE 22 -2.885 -3.411 6.635
135 HB2 PHE 22 1HB PHE 22 -2.903 -2.225 3.855
136 HB3 PHE 22 2HB PHE 22 -3.176 -1.381 5.376
137 HD1 PHE 22 HD1 PHE 22 -0.643 -3.049 3.288
138 HD2 PHE 22 HD2 PHE 22 -1.369 -0.613 6.702
139 HE1 PHE 22 HE1 PHE 22 1.759 -2.531 3.425
140 HE2 PHE 22 HE2 PHE 22 1.031 -0.090 6.844
141 HZ PHE 22 HZ PHE 22 2.598 -1.049 5.203
142 H SER 23 H SER 23 -5.060 -2.811 6.882
143 HA SER 23 HA SER 23 -6.910 -4.564 5.485
144 HB2 SER 23 1HB SER 23 -7.072 -4.416 7.920
145 HB3 SER 23 2HB SER 23 -7.339 -2.677 7.815
146 HG SER 23 HG SER 23 -9.049 -4.318 6.355
147 H HIS 24 H HIS 24 -6.464 -1.091 6.052
148 HA HIS 24 HA HIS 24 -8.509 -0.519 4.029
149 HB2 HIS 24 1HB HIS 24 -8.452 0.585 6.373
150 HB3 HIS 24 2HB HIS 24 -7.137 1.556 5.717
151 HD1 HIS 24 HD1 HIS 24 -7.870 3.687 4.716
152 HD2 HIS 24 HD2 HIS 24 -10.868 0.813 4.584
153 HE1 HIS 24 HE1 HIS 24 -9.867 4.844 3.717
154 H HIS 25 H HIS 25 -7.937 0.041 2.039
155 HA HIS 25 HA HIS 25 -5.470 -0.039 0.942
156 HB2 HIS 25 1HB HIS 25 -6.325 1.520 -0.832
157 HB3 HIS 25 2HB HIS 25 -7.398 0.171 -0.470
158 HD1 HIS 25 HD1 HIS 25 -9.506 0.781 1.084
159 HD2 HIS 25 HD2 HIS 25 -7.461 3.990 -0.583
160 HE1 HIS 25 HE1 HIS 25 -11.065 2.745 1.277
161 H ALA 26 H ALA 26 -6.964 2.823 2.405
162 HA ALA 26 HA ALA 26 -5.066 4.734 1.808
163 HB1 ALA 26 3HB ALA 26 -6.085 6.054 3.363
164 HB2 ALA 26 1HB ALA 26 -7.327 4.815 3.180
165 HB3 ALA 26 2HB ALA 26 -6.214 4.754 4.547
166 H SER 27 H SER 27 -5.149 2.636 4.691
167 HA SER 27 HA SER 27 -2.954 3.437 6.050
168 HB2 SER 27 1HB SER 27 -3.697 0.554 5.494
169 HB3 SER 27 2HB SER 27 -2.665 1.110 6.812
170 HG SER 27 HG SER 27 -4.602 2.466 7.361
171 H LEU 28 H LEU 28 -2.992 1.800 2.977
172 HA LEU 28 HA LEU 28 -0.164 1.227 2.994
173 HB2 LEU 28 1HB LEU 28 -1.803 -0.203 1.821
174 HB3 LEU 28 2HB LEU 28 -2.139 1.129 0.718
175 HG LEU 28 HG LEU 28 0.208 1.019 -0.064
176 HD11 LEU 28 1HD1 LEU 28 1.629 -0.804 0.544
177 HD12 LEU 28 2HD1 LEU 28 0.367 -1.524 1.542
178 HD13 LEU 28 3HD1 LEU 28 1.108 0.001 2.024
179 HD21 LEU 28 3HD2 LEU 28 -0.425 -0.412 -1.657
180 HD22 LEU 28 1HD2 LEU 28 -1.921 -0.585 -0.738
181 HD23 LEU 28 2HD2 LEU 28 -0.609 -1.741 -0.511
182 H THR 29 H THR 29 -2.250 3.284 0.956
183 HA THR 29 HA THR 29 -0.296 4.627 -0.441
184 HB THR 29 HB THR 29 -2.892 4.797 -0.599
185 HG1 THR 29 HG1 THR 29 -2.608 6.707 -1.793
186 HG21 THR 29 3HG2 THR 29 -3.995 6.221 0.740
187 HG22 THR 29 1HG2 THR 29 -2.725 7.440 0.638
188 HG23 THR 29 2HG2 THR 29 -2.584 6.114 1.792
189 H GLN 30 H GLN 30 -1.083 4.888 2.894
190 HA GLN 30 HA GLN 30 0.282 7.447 3.191
191 HB2 GLN 30 1HB GLN 30 -1.448 5.753 4.922
192 HB3 GLN 30 2HB GLN 30 -0.280 6.801 5.716
193 HG2 GLN 30 1HG GLN 30 -1.320 8.721 5.026
194 HG3 GLN 30 2HG GLN 30 -2.048 7.949 3.618
195 HE21 GLN 30 1HE2 GLN 30 -3.058 9.541 6.021
196 HE22 GLN 30 2HE2 GLN 30 -4.399 8.611 6.588
197 H HIS 31 H HIS 31 0.552 4.137 4.480
198 HA HIS 31 HA HIS 31 2.946 4.490 5.871
199 HB2 HIS 31 1HB HIS 31 1.923 2.497 6.411
200 HB3 HIS 31 2HB HIS 31 1.499 2.138 4.740
201 HD1 HIS 31 HD1 HIS 31 4.322 1.852 7.192
202 HD2 HIS 31 HD2 HIS 31 3.396 0.685 3.313
203 HE1 HIS 31 HE1 HIS 31 6.108 0.207 6.540
204 H GLN 32 H GLN 32 2.400 3.381 2.540
205 HA GLN 32 HA GLN 32 4.842 2.682 1.672
206 HB2 GLN 32 1HB GLN 32 2.719 4.335 0.353
207 HB3 GLN 32 2HB GLN 32 4.233 4.024 -0.486
208 HG2 GLN 32 1HG GLN 32 2.349 1.926 0.565
209 HG3 GLN 32 2HG GLN 32 2.491 2.437 -1.116
210 HE21 GLN 32 1HE2 GLN 32 2.788 -0.110 -0.849
211 HE22 GLN 32 2HE2 GLN 32 4.440 -0.612 -0.895
212 H ARG 33 H ARG 33 3.888 5.883 2.644
213 HA ARG 33 HA ARG 33 5.793 7.489 1.489
214 HB2 ARG 33 1HB ARG 33 4.585 7.580 4.250
215 HB3 ARG 33 2HB ARG 33 5.656 8.838 3.646
216 HG2 ARG 33 1HG ARG 33 4.128 9.434 1.931
217 HG3 ARG 33 2HG ARG 33 3.128 8.014 2.244
218 HD2 ARG 33 1HD ARG 33 1.943 9.691 3.305
219 HD3 ARG 33 2HD ARG 33 2.898 9.015 4.624
220 HE ARG 33 HE ARG 33 4.096 11.265 3.256
221 HH11 ARG 33 1HH1 ARG 33 2.112 10.182 5.904
222 HH12 ARG 33 2HH1 ARG 33 2.380 11.604 6.857
223 HH21 ARG 33 1HH2 ARG 33 4.457 13.142 4.502
224 HH22 ARG 33 2HH2 ARG 33 3.713 13.287 6.058
225 H VAL 34 H VAL 34 6.113 5.768 4.596
226 HA VAL 34 HA VAL 34 8.598 6.446 5.398
227 HB VAL 34 HB VAL 34 8.889 4.144 6.287
228 HG11 VAL 34 1HG1 VAL 34 7.172 4.306 7.873
229 HG12 VAL 34 2HG1 VAL 34 7.419 5.963 7.321
230 HG13 VAL 34 3HG1 VAL 34 6.052 5.026 6.718
231 HG21 VAL 34 3HG2 VAL 34 7.279 3.429 4.134
232 HG22 VAL 34 1HG2 VAL 34 7.829 2.378 5.440
233 HG23 VAL 34 2HG2 VAL 34 6.263 3.181 5.554
234 H HIS 35 H HIS 35 7.807 4.615 2.564
235 HA HIS 35 HA HIS 35 10.653 4.051 2.087
236 HB2 HIS 35 1HB HIS 35 8.353 2.923 0.500
237 HB3 HIS 35 2HB HIS 35 10.003 2.317 0.612
238 HD1 HIS 35 HD1 HIS 35 10.449 1.973 3.536
239 HD2 HIS 35 HD2 HIS 35 6.810 1.088 1.736
240 HE1 HIS 35 HE1 HIS 35 9.309 0.352 5.085
241 H SER 36 H SER 36 10.982 6.313 1.529
242 HA SER 36 HA SER 36 10.439 6.770 -1.304
243 HB2 SER 36 1HB SER 36 8.738 7.958 0.313
244 HB3 SER 36 2HB SER 36 10.070 9.086 0.561
245 HG SER 36 HG SER 36 8.410 8.808 -1.575
246 H GLY 37 H GLY 37 11.897 8.237 -2.311
247 HA2 GLY 37 1HA GLY 37 14.536 8.126 -1.233
248 HA3 GLY 37 2HA GLY 37 14.051 8.943 -2.712
249 H GLU 38 H GLU 38 15.295 9.396 0.317
250 HA GLU 38 HA GLU 38 14.206 12.104 0.600
251 HB2 GLU 38 1HB GLU 38 15.572 10.204 2.467
252 HB3 GLU 38 2HB GLU 38 15.630 11.929 2.799
253 HG2 GLU 38 1HG GLU 38 12.999 10.663 2.232
254 HG3 GLU 38 2HG GLU 38 13.749 10.417 3.809
255 H LYS 39 H LYS 39 15.732 13.841 1.185
256 HA LYS 39 HA LYS 39 18.266 13.537 -0.286
257 HB2 LYS 39 1HB LYS 39 16.517 15.160 -1.171
258 HB3 LYS 39 2HB LYS 39 16.834 16.135 0.258
259 HG2 LYS 39 1HG LYS 39 19.257 16.162 -0.456
260 HG3 LYS 39 2HG LYS 39 18.716 15.471 -1.987
261 HD2 LYS 39 1HD LYS 39 18.737 17.746 -2.439
262 HD3 LYS 39 2HD LYS 39 17.049 17.458 -2.008
263 HE2 LYS 39 1HE LYS 39 17.626 19.388 -0.821
264 HE3 LYS 39 2HE LYS 39 17.742 18.095 0.371
265 HZ1 LYS 39 3HZ LYS 39 20.038 19.234 -1.129
266 HZ2 LYS 39 1HZ LYS 39 20.121 18.054 0.081
267 HZ3 LYS 39 2HZ LYS 39 19.630 19.627 0.465
268 HA PRO 40 HA PRO 40 19.455 14.169 4.131
269 HB2 PRO 40 1HB PRO 40 21.555 12.451 4.037
270 HB3 PRO 40 2HB PRO 40 19.899 11.927 4.366
271 HG2 PRO 40 1HG PRO 40 21.443 11.830 1.803
272 HG3 PRO 40 2HG PRO 40 20.385 10.600 2.519
273 HD2 PRO 40 1HD PRO 40 19.573 12.235 0.519
274 HD3 PRO 40 2HD PRO 40 18.466 11.635 1.770
275 H SER 41 H SER 41 21.038 14.453 1.073
276 HA SER 41 HA SER 41 22.616 16.664 2.025
277 HB2 SER 41 1HB SER 41 24.788 15.795 1.501
278 HB3 SER 41 2HB SER 41 24.006 14.624 2.564
279 HG SER 41 HG SER 41 23.317 13.764 0.294
280 H GLY 42 H GLY 42 23.328 18.013 0.370
281 HA2 GLY 42 1HA GLY 42 23.672 17.593 -2.278
282 HA3 GLY 42 2HA GLY 42 21.922 17.673 -2.134
283 HA PRO 43 HA PRO 43 23.398 21.973 -2.876
284 HB2 PRO 43 1HB PRO 43 21.355 22.617 -4.544
285 HB3 PRO 43 2HB PRO 43 22.829 21.813 -5.096
286 HG2 PRO 43 1HG PRO 43 20.152 20.633 -4.461
287 HG3 PRO 43 2HG PRO 43 21.237 20.281 -5.819
288 HD2 PRO 43 1HD PRO 43 21.070 18.687 -3.637
289 HD3 PRO 43 2HD PRO 43 22.575 18.895 -4.555
290 H SER 44 H SER 44 22.244 24.027 -2.489
291 HA SER 44 HA SER 44 20.531 23.788 -0.185
292 HB2 SER 44 1HB SER 44 22.348 25.502 -0.371
293 HB3 SER 44 2HB SER 44 21.402 26.303 -1.625
294 HG SER 44 HG SER 44 19.797 26.706 -0.121
295 H SER 45 H SER 45 19.176 22.667 -2.225
296 HA SER 45 HA SER 45 16.902 24.461 -2.494
297 HB2 SER 45 1HB SER 45 18.555 23.491 -4.776
298 HB3 SER 45 2HB SER 45 16.806 23.529 -4.993
299 HG SER 45 HG SER 45 17.775 25.498 -5.618
300 H GLY 46 H GLY 46 15.379 23.286 -1.521
301 HA2 GLY 46 1HA GLY 46 14.620 20.741 -2.653
302 HA3 GLY 46 2HA GLY 46 15.248 20.626 -1.016
Start of MODEL 8
1 H1 GLY 1 H GLY 1 14.725 -24.847 5.830
2 HA2 GLY 1 1HA GLY 1 13.511 -22.960 5.340
3 HA3 GLY 1 2HA GLY 1 14.952 -22.346 4.544
4 H SER 2 H SER 2 12.623 -24.977 3.922
5 HA SER 2 HA SER 2 12.530 -24.095 1.118
6 HB2 SER 2 1HB SER 2 11.876 -26.327 0.530
7 HB3 SER 2 2HB SER 2 13.249 -26.461 1.629
8 HG SER 2 HG SER 2 11.849 -27.839 2.501
9 H SER 3 H SER 3 10.451 -24.237 0.008
10 HA SER 3 HA SER 3 8.361 -23.074 1.617
11 HB2 SER 3 1HB SER 3 7.261 -22.582 -0.435
12 HB3 SER 3 2HB SER 3 8.981 -22.346 -0.744
13 HG SER 3 HG SER 3 9.044 -24.297 -1.808
14 H GLY 4 H GLY 4 8.797 -25.616 2.521
15 HA2 GLY 4 1HA GLY 4 7.171 -27.600 1.326
16 HA3 GLY 4 2HA GLY 4 7.752 -27.608 2.984
17 H SER 5 H SER 5 6.539 -25.270 3.921
18 HA SER 5 HA SER 5 3.777 -26.203 4.103
19 HB2 SER 5 1HB SER 5 3.616 -24.743 6.065
20 HB3 SER 5 2HB SER 5 5.021 -25.800 6.197
21 HG SER 5 HG SER 5 6.288 -24.118 6.124
22 H SER 6 H SER 6 2.869 -25.458 2.198
23 HA SER 6 HA SER 6 2.851 -22.542 1.804
24 HB2 SER 6 1HB SER 6 2.273 -24.786 -0.142
25 HB3 SER 6 2HB SER 6 2.093 -23.073 -0.517
26 HG SER 6 HG SER 6 4.119 -23.224 -1.059
27 H GLY 7 H GLY 7 1.195 -21.891 3.116
28 HA2 GLY 7 1HA GLY 7 -1.398 -23.239 2.855
29 HA3 GLY 7 2HA GLY 7 -0.954 -22.096 4.114
30 H THR 8 H THR 8 -2.550 -20.615 3.905
31 HA THR 8 HA THR 8 -2.767 -19.266 1.292
32 HB THR 8 HB THR 8 -4.970 -19.514 3.348
33 HG1 THR 8 HG1 THR 8 -5.065 -20.751 0.825
34 HG21 THR 8 3HG2 THR 8 -6.216 -18.881 1.068
35 HG22 THR 8 1HG2 THR 8 -4.670 -18.088 0.765
36 HG23 THR 8 2HG2 THR 8 -5.616 -17.662 2.192
37 H GLY 9 H GLY 9 -2.721 -17.054 1.252
38 HA2 GLY 9 1HA GLY 9 -3.016 -15.446 3.597
39 HA3 GLY 9 2HA GLY 9 -1.325 -15.643 3.158
40 H GLU 10 H GLU 10 -4.430 -14.372 2.130
41 HA GLU 10 HA GLU 10 -3.006 -12.669 0.191
42 HB2 GLU 10 1HB GLU 10 -5.665 -14.044 -0.009
43 HB3 GLU 10 2HB GLU 10 -5.359 -12.573 -0.921
44 HG2 GLU 10 1HG GLU 10 -4.856 -14.289 -2.406
45 HG3 GLU 10 2HG GLU 10 -3.285 -13.757 -1.809
46 H LYS 11 H LYS 11 -4.488 -10.691 -0.371
47 HA LYS 11 HA LYS 11 -6.237 -9.661 1.580
48 HB2 LYS 11 1HB LYS 11 -4.596 -7.794 2.324
49 HB3 LYS 11 2HB LYS 11 -4.517 -9.362 3.116
50 HG2 LYS 11 1HG LYS 11 -2.734 -9.824 1.216
51 HG3 LYS 11 2HG LYS 11 -2.592 -8.065 1.272
52 HD2 LYS 11 1HD LYS 11 -1.733 -8.065 3.391
53 HD3 LYS 11 2HD LYS 11 -2.579 -9.545 3.850
54 HE2 LYS 11 1HE LYS 11 -0.458 -10.364 3.703
55 HE3 LYS 11 2HE LYS 11 -0.966 -10.593 2.030
56 HZ1 LYS 11 3HZ LYS 11 1.279 -9.397 2.637
57 HZ2 LYS 11 1HZ LYS 11 0.272 -8.041 2.742
58 HZ3 LYS 11 2HZ LYS 11 0.361 -8.918 1.299
59 HA PRO 12 HA PRO 12 -7.040 -6.819 -1.666
60 HB2 PRO 12 1HB PRO 12 -8.013 -4.688 -0.294
61 HB3 PRO 12 2HB PRO 12 -8.919 -6.192 -0.501
62 HG2 PRO 12 1HG PRO 12 -7.311 -5.257 1.845
63 HG3 PRO 12 2HG PRO 12 -8.898 -6.048 1.820
64 HD2 PRO 12 1HD PRO 12 -6.611 -7.388 2.370
65 HD3 PRO 12 2HD PRO 12 -7.987 -8.147 1.544
66 H TYR 13 H TYR 13 -4.974 -5.819 0.967
67 HA TYR 13 HA TYR 13 -3.525 -4.070 -0.887
68 HB2 TYR 13 1HB TYR 13 -3.903 -3.206 1.961
69 HB3 TYR 13 2HB TYR 13 -3.465 -2.239 0.557
70 HD1 TYR 13 HD2 TYR 13 -5.186 -1.504 -1.031
71 HD2 TYR 13 HD1 TYR 13 -6.207 -3.678 2.481
72 HE1 TYR 13 HE2 TYR 13 -7.535 -0.828 -1.303
73 HE2 TYR 13 HE1 TYR 13 -8.560 -3.009 2.218
74 HH TYR 13 HH TYR 13 -9.774 -1.641 -0.620
75 H GLU 14 H GLU 14 -1.309 -3.686 -0.286
76 HA GLU 14 HA GLU 14 -0.058 -4.887 1.930
77 HB2 GLU 14 1HB GLU 14 -0.532 -7.012 0.972
78 HB3 GLU 14 2HB GLU 14 -0.049 -6.475 -0.631
79 HG2 GLU 14 1HG GLU 14 2.275 -6.136 0.425
80 HG3 GLU 14 2HG GLU 14 1.665 -7.169 1.717
81 H CYS 15 H CYS 15 2.150 -4.430 2.029
82 HA CYS 15 HA CYS 15 3.013 -2.357 0.194
83 HB2 CYS 15 1HB CYS 15 3.284 -2.494 2.825
84 HB3 CYS 15 2HB CYS 15 4.753 -3.367 2.402
85 H ASP 16 H ASP 16 4.241 -2.719 -1.521
86 HA ASP 16 HA ASP 16 5.400 -5.321 -1.974
87 HB2 ASP 16 1HB ASP 16 4.290 -3.656 -3.686
88 HB3 ASP 16 2HB ASP 16 5.916 -2.984 -3.770
89 H VAL 17 H VAL 17 6.418 -3.189 0.049
90 HA VAL 17 HA VAL 17 9.245 -3.308 -0.783
91 HB VAL 17 HB VAL 17 7.923 -1.281 1.028
92 HG11 VAL 17 1HG1 VAL 17 10.752 -1.226 0.013
93 HG12 VAL 17 2HG1 VAL 17 10.020 -0.238 1.279
94 HG13 VAL 17 3HG1 VAL 17 10.316 -1.955 1.557
95 HG21 VAL 17 3HG2 VAL 17 8.068 0.269 -0.699
96 HG22 VAL 17 1HG2 VAL 17 9.246 -0.691 -1.594
97 HG23 VAL 17 2HG2 VAL 17 7.559 -1.201 -1.530
98 H CYS 18 H CYS 18 6.988 -3.604 1.916
99 HA CYS 18 HA CYS 18 9.067 -5.081 3.395
100 HB2 CYS 18 1HB CYS 18 7.891 -4.355 5.477
101 HB3 CYS 18 2HB CYS 18 8.610 -3.028 4.570
102 H ARG 19 H ARG 19 6.203 -5.341 1.759
103 HA ARG 19 HA ARG 19 4.644 -6.983 1.546
104 HB2 ARG 19 1HB ARG 19 6.852 -8.384 2.995
105 HB3 ARG 19 2HB ARG 19 5.304 -9.199 2.818
106 HG2 ARG 19 1HG ARG 19 6.840 -9.841 1.052
107 HG3 ARG 19 2HG ARG 19 5.453 -8.972 0.395
108 HD2 ARG 19 1HD ARG 19 6.696 -7.144 -0.181
109 HD3 ARG 19 2HD ARG 19 7.865 -7.398 1.113
110 HE ARG 19 HE ARG 19 8.384 -9.475 -0.478
111 HH11 ARG 19 1HH1 ARG 19 7.917 -6.101 -1.198
112 HH12 ARG 19 2HH1 ARG 19 8.965 -6.116 -2.577
113 HH21 ARG 19 1HH2 ARG 19 9.766 -9.508 -2.292
114 HH22 ARG 19 2HH2 ARG 19 10.016 -8.054 -3.199
115 H LYS 20 H LYS 20 4.119 -5.058 3.449
116 HA LYS 20 HA LYS 20 3.161 -6.425 5.837
117 HB2 LYS 20 1HB LYS 20 3.557 -3.591 5.021
118 HB3 LYS 20 2HB LYS 20 2.300 -3.921 6.205
119 HG2 LYS 20 1HG LYS 20 4.073 -5.185 7.512
120 HG3 LYS 20 2HG LYS 20 5.247 -4.438 6.426
121 HD2 LYS 20 1HD LYS 20 3.985 -2.234 7.098
122 HD3 LYS 20 2HD LYS 20 3.511 -3.187 8.505
123 HE2 LYS 20 1HE LYS 20 6.368 -2.907 7.602
124 HE3 LYS 20 2HE LYS 20 5.614 -1.796 8.744
125 HZ1 LYS 20 3HZ LYS 20 6.369 -3.254 10.249
126 HZ2 LYS 20 1HZ LYS 20 6.511 -4.519 9.135
127 HZ3 LYS 20 2HZ LYS 20 5.009 -4.166 9.826
128 H ALA 21 H ALA 21 0.891 -5.408 6.564
129 HA ALA 21 HA ALA 21 -0.969 -5.538 4.294
130 HB1 ALA 21 3HB ALA 21 -0.924 -7.769 5.218
131 HB2 ALA 21 1HB ALA 21 -1.212 -7.137 6.840
132 HB3 ALA 21 2HB ALA 21 -2.464 -7.002 5.605
133 H PHE 22 H PHE 22 -2.910 -4.421 4.566
134 HA PHE 22 HA PHE 22 -3.279 -2.924 7.052
135 HB2 PHE 22 1HB PHE 22 -3.172 -1.647 4.311
136 HB3 PHE 22 2HB PHE 22 -3.652 -0.826 5.792
137 HD1 PHE 22 HD1 PHE 22 -0.813 -2.787 4.384
138 HD2 PHE 22 HD2 PHE 22 -2.067 0.354 6.968
139 HE1 PHE 22 HE1 PHE 22 1.539 -2.210 4.819
140 HE2 PHE 22 HE2 PHE 22 0.283 0.937 7.406
141 HZ PHE 22 HZ PHE 22 2.090 -0.345 6.330
142 H SER 23 H SER 23 -5.414 -1.639 6.912
143 HA SER 23 HA SER 23 -7.429 -3.433 5.742
144 HB2 SER 23 1HB SER 23 -7.595 -3.263 8.156
145 HB3 SER 23 2HB SER 23 -7.623 -1.502 8.066
146 HG SER 23 HG SER 23 -9.720 -2.049 8.207
147 H HIS 24 H HIS 24 -6.637 -0.012 6.221
148 HA HIS 24 HA HIS 24 -8.706 0.753 4.301
149 HB2 HIS 24 1HB HIS 24 -8.123 1.929 6.603
150 HB3 HIS 24 2HB HIS 24 -6.921 2.755 5.616
151 HD1 HIS 24 HD1 HIS 24 -9.029 4.499 6.780
152 HD2 HIS 24 HD2 HIS 24 -9.535 2.558 3.142
153 HE1 HIS 24 HE1 HIS 24 -10.792 5.811 5.558
154 H HIS 25 H HIS 25 -8.226 1.002 2.230
155 HA HIS 25 HA HIS 25 -5.904 0.545 0.952
156 HB2 HIS 25 1HB HIS 25 -8.013 0.974 -0.221
157 HB3 HIS 25 2HB HIS 25 -7.903 2.684 0.186
158 HD1 HIS 25 HD1 HIS 25 -5.920 0.090 -1.762
159 HD2 HIS 25 HD2 HIS 25 -6.664 4.177 -1.706
160 HE1 HIS 25 HE1 HIS 25 -4.762 1.012 -3.795
161 H ALA 26 H ALA 26 -6.942 3.819 1.918
162 HA ALA 26 HA ALA 26 -4.704 5.231 1.152
163 HB1 ALA 26 3HB ALA 26 -5.973 6.856 1.967
164 HB2 ALA 26 1HB ALA 26 -6.971 5.686 2.831
165 HB3 ALA 26 2HB ALA 26 -5.530 6.355 3.599
166 H SER 27 H SER 27 -5.300 3.787 4.358
167 HA SER 27 HA SER 27 -3.091 4.442 5.743
168 HB2 SER 27 1HB SER 27 -4.288 1.666 5.573
169 HB3 SER 27 2HB SER 27 -3.201 2.219 6.847
170 HG SER 27 HG SER 27 -5.096 2.671 7.724
171 H LEU 28 H LEU 28 -3.192 2.359 2.959
172 HA LEU 28 HA LEU 28 -0.524 1.338 3.307
173 HB2 LEU 28 1HB LEU 28 -2.229 0.034 2.151
174 HB3 LEU 28 2HB LEU 28 -2.366 1.288 0.920
175 HG LEU 28 HG LEU 28 0.036 0.818 0.328
176 HD11 LEU 28 1HD1 LEU 28 0.264 -1.822 1.173
177 HD12 LEU 28 2HD1 LEU 28 -0.242 -0.930 2.607
178 HD13 LEU 28 3HD1 LEU 28 1.209 -0.441 1.731
179 HD21 LEU 28 3HD2 LEU 28 -2.243 -0.279 -0.594
180 HD22 LEU 28 1HD2 LEU 28 -1.381 -1.733 -0.090
181 HD23 LEU 28 2HD2 LEU 28 -0.647 -0.634 -1.258
182 H THR 29 H THR 29 -2.040 3.513 0.919
183 HA THR 29 HA THR 29 0.292 4.295 -0.385
184 HB THR 29 HB THR 29 -2.139 4.778 -1.047
185 HG1 THR 29 HG1 THR 29 -1.193 6.001 -2.488
186 HG21 THR 29 3HG2 THR 29 -2.013 6.352 1.281
187 HG22 THR 29 1HG2 THR 29 -3.333 6.257 0.117
188 HG23 THR 29 2HG2 THR 29 -2.076 7.479 -0.074
189 H GLN 30 H GLN 30 -0.856 5.120 2.738
190 HA GLN 30 HA GLN 30 0.773 7.524 2.923
191 HB2 GLN 30 1HB GLN 30 -1.307 6.228 4.606
192 HB3 GLN 30 2HB GLN 30 -0.108 7.218 5.427
193 HG2 GLN 30 1HG GLN 30 -0.781 9.158 4.346
194 HG3 GLN 30 2HG GLN 30 -1.594 8.271 3.057
195 HE21 GLN 30 1HE2 GLN 30 -3.458 9.533 3.416
196 HE22 GLN 30 2HE2 GLN 30 -4.510 9.213 4.749
197 H HIS 31 H HIS 31 0.744 4.203 4.065
198 HA HIS 31 HA HIS 31 2.879 4.457 5.910
199 HB2 HIS 31 1HB HIS 31 1.626 2.539 6.264
200 HB3 HIS 31 2HB HIS 31 1.519 2.166 4.546
201 HD1 HIS 31 HD1 HIS 31 3.789 1.801 7.507
202 HD2 HIS 31 HD2 HIS 31 3.593 0.612 3.531
203 HE1 HIS 31 HE1 HIS 31 5.592 0.069 7.233
204 H GLN 32 H GLN 32 2.766 3.256 2.560
205 HA GLN 32 HA GLN 32 5.306 2.486 2.099
206 HB2 GLN 32 1HB GLN 32 3.571 4.202 0.322
207 HB3 GLN 32 2HB GLN 32 5.065 3.446 -0.218
208 HG2 GLN 32 1HG GLN 32 3.893 1.275 0.710
209 HG3 GLN 32 2HG GLN 32 2.436 2.224 0.416
210 HE21 GLN 32 1HE2 GLN 32 2.968 -0.129 -0.933
211 HE22 GLN 32 2HE2 GLN 32 3.257 0.226 -2.598
212 H ARG 33 H ARG 33 4.210 5.802 2.486
213 HA ARG 33 HA ARG 33 6.202 7.354 1.582
214 HB2 ARG 33 1HB ARG 33 5.032 7.582 4.362
215 HB3 ARG 33 2HB ARG 33 5.827 8.872 3.469
216 HG2 ARG 33 1HG ARG 33 3.326 7.483 2.539
217 HG3 ARG 33 2HG ARG 33 3.340 8.982 3.470
218 HD2 ARG 33 1HD ARG 33 5.010 9.714 1.542
219 HD3 ARG 33 2HD ARG 33 4.122 8.481 0.648
220 HE ARG 33 HE ARG 33 2.127 9.925 1.672
221 HH11 ARG 33 1HH1 ARG 33 5.052 10.890 0.050
222 HH12 ARG 33 2HH1 ARG 33 4.359 12.328 -0.624
223 HH21 ARG 33 1HH2 ARG 33 1.203 11.815 0.791
224 HH22 ARG 33 2HH2 ARG 33 2.170 12.854 -0.201
225 H VAL 34 H VAL 34 6.333 5.714 4.746
226 HA VAL 34 HA VAL 34 8.718 6.431 5.738
227 HB VAL 34 HB VAL 34 8.977 4.252 6.744
228 HG11 VAL 34 1HG1 VAL 34 6.860 4.043 7.833
229 HG12 VAL 34 2HG1 VAL 34 7.119 5.754 7.485
230 HG13 VAL 34 3HG1 VAL 34 6.026 4.802 6.478
231 HG21 VAL 34 3HG2 VAL 34 8.731 2.702 5.022
232 HG22 VAL 34 1HG2 VAL 34 7.294 2.443 6.011
233 HG23 VAL 34 2HG2 VAL 34 7.179 3.367 4.514
234 H HIS 35 H HIS 35 8.280 4.080 3.120
235 HA HIS 35 HA HIS 35 11.125 3.708 2.801
236 HB2 HIS 35 1HB HIS 35 9.026 2.820 0.835
237 HB3 HIS 35 2HB HIS 35 10.594 2.092 1.170
238 HD1 HIS 35 HD1 HIS 35 10.658 1.334 3.946
239 HD2 HIS 35 HD2 HIS 35 7.071 1.278 1.851
240 HE1 HIS 35 HE1 HIS 35 9.153 -0.217 5.232
241 H SER 36 H SER 36 12.421 4.943 1.622
242 HA SER 36 HA SER 36 11.225 6.625 -0.483
243 HB2 SER 36 1HB SER 36 12.031 7.858 1.583
244 HB3 SER 36 2HB SER 36 13.665 7.360 1.142
245 HG SER 36 HG SER 36 13.080 8.366 -0.987
246 H GLY 37 H GLY 37 14.329 5.237 0.602
247 HA2 GLY 37 1HA GLY 37 14.857 3.879 -1.793
248 HA3 GLY 37 2HA GLY 37 15.632 5.454 -1.884
249 H GLU 38 H GLU 38 16.083 5.479 1.052
250 HA GLU 38 HA GLU 38 17.770 4.980 2.494
251 HB2 GLU 38 1HB GLU 38 17.100 2.328 1.293
252 HB3 GLU 38 2HB GLU 38 18.524 2.454 2.316
253 HG2 GLU 38 1HG GLU 38 16.974 3.524 4.038
254 HG3 GLU 38 2HG GLU 38 15.654 2.917 3.041
255 H LYS 39 H LYS 39 18.543 6.210 0.120
256 HA LYS 39 HA LYS 39 20.487 5.183 -1.454
257 HB2 LYS 39 1HB LYS 39 19.635 7.572 -1.388
258 HB3 LYS 39 2HB LYS 39 20.804 7.865 -0.107
259 HG2 LYS 39 1HG LYS 39 21.825 8.611 -2.082
260 HG3 LYS 39 2HG LYS 39 22.574 7.053 -1.725
261 HD2 LYS 39 1HD LYS 39 22.137 6.816 -3.968
262 HD3 LYS 39 2HD LYS 39 20.664 6.135 -3.274
263 HE2 LYS 39 1HE LYS 39 19.889 7.569 -4.944
264 HE3 LYS 39 2HE LYS 39 19.712 8.508 -3.462
265 HZ1 LYS 39 3HZ LYS 39 22.263 8.999 -4.459
266 HZ2 LYS 39 1HZ LYS 39 20.957 10.071 -4.378
267 HZ3 LYS 39 2HZ LYS 39 21.197 9.134 -5.765
268 HA PRO 40 HA PRO 40 23.712 3.750 1.200
269 HB2 PRO 40 1HB PRO 40 25.663 3.518 -0.674
270 HB3 PRO 40 2HB PRO 40 24.317 2.379 -0.542
271 HG2 PRO 40 1HG PRO 40 24.665 4.691 -2.412
272 HG3 PRO 40 2HG PRO 40 24.056 3.060 -2.750
273 HD2 PRO 40 1HD PRO 40 22.415 5.187 -2.413
274 HD3 PRO 40 2HD PRO 40 21.954 3.540 -1.936
275 H SER 41 H SER 41 23.825 5.816 2.343
276 HA SER 41 HA SER 41 25.236 8.056 1.510
277 HB2 SER 41 1HB SER 41 24.573 6.896 4.187
278 HB3 SER 41 2HB SER 41 25.700 8.250 4.103
279 HG SER 41 HG SER 41 23.935 9.202 2.703
280 H GLY 42 H GLY 42 27.339 8.819 2.573
281 HA2 GLY 42 1HA GLY 42 29.326 7.032 3.405
282 HA3 GLY 42 2HA GLY 42 29.445 7.181 1.658
283 HA PRO 43 HA PRO 43 31.887 10.789 2.112
284 HB2 PRO 43 1HB PRO 43 31.171 12.208 -0.089
285 HB3 PRO 43 2HB PRO 43 32.167 10.750 -0.168
286 HG2 PRO 43 1HG PRO 43 29.233 11.068 -0.666
287 HG3 PRO 43 2HG PRO 43 30.427 10.129 -1.580
288 HD2 PRO 43 1HD PRO 43 28.736 8.993 0.204
289 HD3 PRO 43 2HD PRO 43 30.373 8.373 -0.088
290 H SER 44 H SER 44 31.749 12.620 3.261
291 HA SER 44 HA SER 44 29.171 13.647 4.002
292 HB2 SER 44 1HB SER 44 30.355 15.044 5.551
293 HB3 SER 44 2HB SER 44 31.153 13.472 5.558
294 HG SER 44 HG SER 44 32.840 14.303 4.472
295 H SER 45 H SER 45 28.708 16.007 3.951
296 HA SER 45 HA SER 45 28.292 17.916 2.787
297 HB2 SER 45 1HB SER 45 31.154 17.365 2.092
298 HB3 SER 45 2HB SER 45 30.300 18.668 1.265
299 HG SER 45 HG SER 45 30.728 18.376 4.052
300 H GLY 46 H GLY 46 27.159 15.663 1.730
301 HA2 GLY 46 1HA GLY 46 27.658 15.728 -1.156
302 HA3 GLY 46 2HA GLY 46 26.673 14.550 -0.302
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -1.919 -30.348 1.569
2 HA2 GLY 1 1HA GLY 1 -2.559 -28.661 3.900
3 HA3 GLY 1 2HA GLY 1 -0.987 -28.539 3.124
4 H SER 2 H SER 2 -0.852 -27.684 0.998
5 HA SER 2 HA SER 2 -2.855 -25.661 0.496
6 HB2 SER 2 1HB SER 2 -0.257 -26.317 -0.911
7 HB3 SER 2 2HB SER 2 -1.295 -24.955 -1.328
8 HG SER 2 HG SER 2 0.359 -24.322 0.100
9 H SER 3 H SER 3 -4.623 -26.107 -0.625
10 HA SER 3 HA SER 3 -4.583 -28.263 -2.600
11 HB2 SER 3 1HB SER 3 -6.766 -26.815 -1.129
12 HB3 SER 3 2HB SER 3 -7.134 -27.721 -2.596
13 HG SER 3 HG SER 3 -7.375 -29.038 -0.772
14 H GLY 4 H GLY 4 -3.558 -27.321 -4.352
15 HA2 GLY 4 1HA GLY 4 -3.813 -26.368 -6.476
16 HA3 GLY 4 2HA GLY 4 -5.227 -25.502 -5.894
17 H SER 5 H SER 5 -2.890 -24.559 -7.430
18 HA SER 5 HA SER 5 -1.095 -23.085 -5.908
19 HB2 SER 5 1HB SER 5 -1.255 -23.477 -8.497
20 HB3 SER 5 2HB SER 5 -2.160 -21.964 -8.477
21 HG SER 5 HG SER 5 0.532 -22.445 -7.906
22 H SER 6 H SER 6 -1.992 -22.051 -4.162
23 HA SER 6 HA SER 6 -4.317 -20.474 -4.212
24 HB2 SER 6 1HB SER 6 -3.479 -19.550 -2.059
25 HB3 SER 6 2HB SER 6 -3.412 -21.311 -2.116
26 HG SER 6 HG SER 6 -1.174 -21.083 -2.688
27 H GLY 7 H GLY 7 -0.885 -19.552 -4.414
28 HA2 GLY 7 1HA GLY 7 0.014 -17.800 -5.670
29 HA3 GLY 7 2HA GLY 7 -1.616 -17.229 -5.998
30 H THR 8 H THR 8 -0.192 -15.205 -5.530
31 HA THR 8 HA THR 8 -0.078 -14.648 -2.656
32 HB THR 8 HB THR 8 1.134 -12.568 -3.346
33 HG1 THR 8 HG1 THR 8 1.978 -12.926 -5.666
34 HG21 THR 8 3HG2 THR 8 3.137 -13.957 -4.364
35 HG22 THR 8 1HG2 THR 8 2.117 -15.323 -3.915
36 HG23 THR 8 2HG2 THR 8 2.639 -14.170 -2.686
37 H GLY 9 H GLY 9 -1.387 -13.207 -1.669
38 HA2 GLY 9 1HA GLY 9 -2.597 -10.964 -2.473
39 HA3 GLY 9 2HA GLY 9 -3.632 -12.180 -3.206
40 H GLU 10 H GLU 10 -2.014 -11.931 -0.040
41 HA GLU 10 HA GLU 10 -4.130 -13.134 1.372
42 HB2 GLU 10 1HB GLU 10 -1.762 -11.480 2.192
43 HB3 GLU 10 2HB GLU 10 -2.964 -11.967 3.379
44 HG2 GLU 10 1HG GLU 10 -0.965 -13.449 3.225
45 HG3 GLU 10 2HG GLU 10 -2.515 -14.265 3.025
46 H LYS 11 H LYS 11 -3.615 -9.897 0.294
47 HA LYS 11 HA LYS 11 -6.248 -9.127 1.155
48 HB2 LYS 11 1HB LYS 11 -3.800 -8.064 2.504
49 HB3 LYS 11 2HB LYS 11 -5.165 -6.986 2.249
50 HG2 LYS 11 1HG LYS 11 -6.593 -8.710 3.406
51 HG3 LYS 11 2HG LYS 11 -5.092 -9.526 3.852
52 HD2 LYS 11 1HD LYS 11 -5.366 -8.215 5.700
53 HD3 LYS 11 2HD LYS 11 -4.453 -7.093 4.688
54 HE2 LYS 11 1HE LYS 11 -6.243 -5.828 5.521
55 HE3 LYS 11 2HE LYS 11 -6.718 -6.249 3.876
56 HZ1 LYS 11 3HZ LYS 11 -8.290 -6.589 5.989
57 HZ2 LYS 11 1HZ LYS 11 -7.544 -8.107 5.948
58 HZ3 LYS 11 2HZ LYS 11 -8.391 -7.545 4.597
59 HA PRO 12 HA PRO 12 -6.021 -6.525 -2.370
60 HB2 PRO 12 1HB PRO 12 -7.565 -4.417 -1.633
61 HB3 PRO 12 2HB PRO 12 -8.232 -6.010 -2.011
62 HG2 PRO 12 1HG PRO 12 -7.649 -4.787 0.658
63 HG3 PRO 12 2HG PRO 12 -9.062 -5.725 0.142
64 HD2 PRO 12 1HD PRO 12 -7.045 -6.806 1.588
65 HD3 PRO 12 2HD PRO 12 -7.976 -7.741 0.400
66 H TYR 13 H TYR 13 -4.931 -5.348 0.684
67 HA TYR 13 HA TYR 13 -3.332 -3.295 -0.696
68 HB2 TYR 13 1HB TYR 13 -4.224 -2.982 2.158
69 HB3 TYR 13 2HB TYR 13 -3.637 -1.751 1.046
70 HD1 TYR 13 HD2 TYR 13 -5.122 -1.083 -0.900
71 HD2 TYR 13 HD1 TYR 13 -6.524 -3.420 2.367
72 HE1 TYR 13 HE2 TYR 13 -7.439 -0.502 -1.486
73 HE2 TYR 13 HE1 TYR 13 -8.845 -2.846 1.789
74 HH TYR 13 HH TYR 13 -9.585 -0.529 -0.758
75 H GLU 14 H GLU 14 -1.282 -3.919 -0.682
76 HA GLU 14 HA GLU 14 -0.054 -4.746 1.820
77 HB2 GLU 14 1HB GLU 14 -0.703 -6.881 0.904
78 HB3 GLU 14 2HB GLU 14 -0.027 -6.464 -0.664
79 HG2 GLU 14 1HG GLU 14 2.205 -6.248 0.603
80 HG3 GLU 14 2HG GLU 14 1.392 -7.165 1.871
81 H CYS 15 H CYS 15 2.198 -4.454 1.877
82 HA CYS 15 HA CYS 15 3.167 -2.539 -0.088
83 HB2 CYS 15 1HB CYS 15 3.429 -2.102 2.345
84 HB3 CYS 15 2HB CYS 15 4.479 -3.510 2.459
85 H ASP 16 H ASP 16 4.588 -2.988 -1.644
86 HA ASP 16 HA ASP 16 5.545 -5.708 -1.926
87 HB2 ASP 16 1HB ASP 16 4.608 -4.418 -3.851
88 HB3 ASP 16 2HB ASP 16 5.998 -3.341 -3.753
89 H VAL 17 H VAL 17 6.615 -3.860 0.170
90 HA VAL 17 HA VAL 17 9.459 -4.113 -0.552
91 HB VAL 17 HB VAL 17 8.231 -1.870 1.058
92 HG11 VAL 17 1HG1 VAL 17 10.900 -2.917 0.966
93 HG12 VAL 17 2HG1 VAL 17 10.874 -1.272 0.328
94 HG13 VAL 17 3HG1 VAL 17 10.249 -1.602 1.944
95 HG21 VAL 17 3HG2 VAL 17 9.426 -0.618 -0.962
96 HG22 VAL 17 1HG2 VAL 17 9.058 -2.138 -1.778
97 HG23 VAL 17 2HG2 VAL 17 7.759 -1.184 -1.062
98 H CYS 18 H CYS 18 7.172 -3.765 2.151
99 HA CYS 18 HA CYS 18 8.983 -5.416 3.787
100 HB2 CYS 18 1HB CYS 18 7.874 -4.396 5.754
101 HB3 CYS 18 2HB CYS 18 8.678 -3.203 4.739
102 H ARG 19 H ARG 19 6.100 -5.443 2.107
103 HA ARG 19 HA ARG 19 4.368 -6.911 1.971
104 HB2 ARG 19 1HB ARG 19 6.020 -8.639 3.821
105 HB3 ARG 19 2HB ARG 19 4.702 -9.171 2.785
106 HG2 ARG 19 1HG ARG 19 7.239 -7.946 1.736
107 HG3 ARG 19 2HG ARG 19 7.003 -9.682 1.946
108 HD2 ARG 19 1HD ARG 19 4.933 -9.423 0.499
109 HD3 ARG 19 2HD ARG 19 5.526 -7.808 0.115
110 HE ARG 19 HE ARG 19 7.123 -8.747 -1.238
111 HH11 ARG 19 1HH1 ARG 19 5.703 -11.216 0.764
112 HH12 ARG 19 2HH1 ARG 19 6.471 -12.522 -0.077
113 HH21 ARG 19 1HH2 ARG 19 8.139 -10.458 -2.353
114 HH22 ARG 19 2HH2 ARG 19 7.856 -12.090 -1.849
115 H LYS 20 H LYS 20 3.932 -4.884 3.693
116 HA LYS 20 HA LYS 20 2.837 -6.067 6.143
117 HB2 LYS 20 1HB LYS 20 4.323 -3.928 6.057
118 HB3 LYS 20 2HB LYS 20 2.845 -3.127 5.537
119 HG2 LYS 20 1HG LYS 20 1.728 -3.780 7.576
120 HG3 LYS 20 2HG LYS 20 3.147 -4.697 8.089
121 HD2 LYS 20 1HD LYS 20 3.428 -1.795 7.441
122 HD3 LYS 20 2HD LYS 20 2.736 -2.274 8.993
123 HE2 LYS 20 1HE LYS 20 4.831 -3.834 9.108
124 HE3 LYS 20 2HE LYS 20 5.491 -2.708 7.923
125 HZ1 LYS 20 3HZ LYS 20 5.685 -2.359 10.551
126 HZ2 LYS 20 1HZ LYS 20 4.253 -1.506 10.258
127 HZ3 LYS 20 2HZ LYS 20 5.673 -1.080 9.444
128 H ALA 21 H ALA 21 0.722 -6.394 6.387
129 HA ALA 21 HA ALA 21 -1.080 -5.592 4.252
130 HB1 ALA 21 3HB ALA 21 -1.436 -7.809 4.834
131 HB2 ALA 21 1HB ALA 21 -1.279 -7.486 6.561
132 HB3 ALA 21 2HB ALA 21 -2.725 -6.967 5.694
133 H PHE 22 H PHE 22 -2.930 -4.345 4.525
134 HA PHE 22 HA PHE 22 -3.204 -2.934 7.087
135 HB2 PHE 22 1HB PHE 22 -3.270 -1.627 4.359
136 HB3 PHE 22 2HB PHE 22 -3.572 -0.818 5.893
137 HD1 PHE 22 HD1 PHE 22 -0.977 -2.702 4.024
138 HD2 PHE 22 HD2 PHE 22 -1.820 0.128 7.089
139 HE1 PHE 22 HE1 PHE 22 1.427 -2.220 4.236
140 HE2 PHE 22 HE2 PHE 22 0.582 0.615 7.305
141 HZ PHE 22 HZ PHE 22 2.209 -0.559 5.877
142 H SER 23 H SER 23 -5.293 -2.210 7.592
143 HA SER 23 HA SER 23 -7.393 -3.848 6.616
144 HB2 SER 23 1HB SER 23 -7.170 -2.797 8.944
145 HB3 SER 23 2HB SER 23 -7.783 -1.316 8.209
146 HG SER 23 HG SER 23 -9.546 -2.390 8.966
147 H HIS 24 H HIS 24 -6.853 -0.331 6.382
148 HA HIS 24 HA HIS 24 -8.829 -0.206 4.225
149 HB2 HIS 24 1HB HIS 24 -8.791 1.401 6.247
150 HB3 HIS 24 2HB HIS 24 -7.426 2.165 5.437
151 HD1 HIS 24 HD1 HIS 24 -8.686 4.344 4.975
152 HD2 HIS 24 HD2 HIS 24 -10.520 0.985 3.356
153 HE1 HIS 24 HE1 HIS 24 -10.455 5.227 3.420
154 H HIS 25 H HIS 25 -8.289 1.293 2.383
155 HA HIS 25 HA HIS 25 -5.848 0.415 1.171
156 HB2 HIS 25 1HB HIS 25 -6.671 1.308 -0.808
157 HB3 HIS 25 2HB HIS 25 -8.155 0.941 0.065
158 HD1 HIS 25 HD1 HIS 25 -5.968 3.852 -0.909
159 HD2 HIS 25 HD2 HIS 25 -9.755 3.112 0.632
160 HE1 HIS 25 HE1 HIS 25 -7.155 6.069 -0.947
161 H ALA 26 H ALA 26 -7.081 3.517 2.363
162 HA ALA 26 HA ALA 26 -5.042 5.199 1.574
163 HB1 ALA 26 3HB ALA 26 -7.249 5.362 3.283
164 HB2 ALA 26 1HB ALA 26 -5.861 5.860 4.251
165 HB3 ALA 26 2HB ALA 26 -6.219 6.684 2.732
166 H SER 27 H SER 27 -5.249 3.386 4.638
167 HA SER 27 HA SER 27 -2.964 4.133 5.888
168 HB2 SER 27 1HB SER 27 -4.746 2.244 6.427
169 HB3 SER 27 2HB SER 27 -3.493 1.194 5.766
170 HG SER 27 HG SER 27 -3.148 1.395 7.960
171 H LEU 28 H LEU 28 -3.213 2.223 2.993
172 HA LEU 28 HA LEU 28 -0.478 1.333 3.035
173 HB2 LEU 28 1HB LEU 28 -2.263 0.040 1.946
174 HB3 LEU 28 2HB LEU 28 -2.484 1.347 0.784
175 HG LEU 28 HG LEU 28 -0.111 0.948 0.045
176 HD11 LEU 28 1HD1 LEU 28 0.831 -0.201 1.880
177 HD12 LEU 28 2HD1 LEU 28 0.734 -1.373 0.566
178 HD13 LEU 28 3HD1 LEU 28 -0.449 -1.415 1.874
179 HD21 LEU 28 3HD2 LEU 28 -1.057 -0.190 -1.608
180 HD22 LEU 28 1HD2 LEU 28 -2.495 -0.384 -0.604
181 HD23 LEU 28 2HD2 LEU 28 -1.232 -1.615 -0.582
182 H THR 29 H THR 29 -2.298 3.527 0.888
183 HA THR 29 HA THR 29 -0.169 4.525 -0.563
184 HB THR 29 HB THR 29 -2.727 4.971 -0.804
185 HG1 THR 29 HG1 THR 29 -2.154 6.958 -1.965
186 HG21 THR 29 3HG2 THR 29 -2.294 7.660 0.248
187 HG22 THR 29 1HG2 THR 29 -2.309 6.418 1.499
188 HG23 THR 29 2HG2 THR 29 -3.688 6.593 0.413
189 H GLN 30 H GLN 30 -0.956 5.065 2.728
190 HA GLN 30 HA GLN 30 0.605 7.513 2.915
191 HB2 GLN 30 1HB GLN 30 -1.562 6.977 4.225
192 HB3 GLN 30 2HB GLN 30 -0.523 5.997 5.251
193 HG2 GLN 30 1HG GLN 30 0.196 8.838 4.698
194 HG3 GLN 30 2HG GLN 30 -1.048 8.458 5.889
195 HE21 GLN 30 1HE2 GLN 30 0.034 9.055 7.694
196 HE22 GLN 30 2HE2 GLN 30 1.475 8.285 8.257
197 H HIS 31 H HIS 31 0.693 4.231 4.295
198 HA HIS 31 HA HIS 31 3.065 4.415 5.700
199 HB2 HIS 31 1HB HIS 31 1.978 2.426 6.102
200 HB3 HIS 31 2HB HIS 31 1.587 2.172 4.404
201 HD1 HIS 31 HD1 HIS 31 4.071 1.337 6.991
202 HD2 HIS 31 HD2 HIS 31 3.741 1.072 2.858
203 HE1 HIS 31 HE1 HIS 31 5.892 -0.241 6.271
204 H GLN 32 H GLN 32 2.588 3.564 2.289
205 HA GLN 32 HA GLN 32 4.986 2.790 1.410
206 HB2 GLN 32 1HB GLN 32 3.091 4.789 0.216
207 HB3 GLN 32 2HB GLN 32 4.581 4.363 -0.615
208 HG2 GLN 32 1HG GLN 32 2.240 2.612 0.040
209 HG3 GLN 32 2HG GLN 32 2.936 2.981 -1.537
210 HE21 GLN 32 1HE2 GLN 32 2.408 0.415 -0.157
211 HE22 GLN 32 2HE2 GLN 32 3.919 -0.421 -0.159
212 H ARG 33 H ARG 33 4.246 5.989 2.609
213 HA ARG 33 HA ARG 33 6.360 7.489 1.713
214 HB2 ARG 33 1HB ARG 33 4.809 7.481 4.270
215 HB3 ARG 33 2HB ARG 33 6.213 8.530 4.127
216 HG2 ARG 33 1HG ARG 33 5.199 9.523 2.093
217 HG3 ARG 33 2HG ARG 33 3.758 8.547 2.386
218 HD2 ARG 33 1HD ARG 33 3.160 10.514 3.405
219 HD3 ARG 33 2HD ARG 33 3.876 9.644 4.762
220 HE ARG 33 HE ARG 33 5.444 11.286 4.880
221 HH11 ARG 33 1HH1 ARG 33 4.174 11.219 1.639
222 HH12 ARG 33 2HH1 ARG 33 5.097 12.587 1.110
223 HH21 ARG 33 1HH2 ARG 33 6.663 13.088 4.196
224 HH22 ARG 33 2HH2 ARG 33 6.513 13.649 2.565
225 H VAL 34 H VAL 34 6.323 5.509 4.679
226 HA VAL 34 HA VAL 34 8.786 5.881 5.695
227 HB VAL 34 HB VAL 34 8.832 3.489 6.364
228 HG11 VAL 34 1HG1 VAL 34 6.288 5.058 6.677
229 HG12 VAL 34 2HG1 VAL 34 6.574 3.539 7.530
230 HG13 VAL 34 3HG1 VAL 34 7.638 4.919 7.803
231 HG21 VAL 34 3HG2 VAL 34 7.850 1.971 5.073
232 HG22 VAL 34 1HG2 VAL 34 6.283 2.644 5.523
233 HG23 VAL 34 2HG2 VAL 34 7.116 3.234 4.085
234 H HIS 35 H HIS 35 8.065 4.388 2.649
235 HA HIS 35 HA HIS 35 10.885 3.635 2.304
236 HB2 HIS 35 1HB HIS 35 8.548 2.866 0.548
237 HB3 HIS 35 2HB HIS 35 10.173 2.189 0.515
238 HD1 HIS 35 HD1 HIS 35 10.806 1.134 3.087
239 HD2 HIS 35 HD2 HIS 35 6.850 1.212 1.820
240 HE1 HIS 35 HE1 HIS 35 9.616 -0.578 4.493
241 H SER 36 H SER 36 11.830 4.030 0.142
242 HA SER 36 HA SER 36 10.911 6.619 -0.920
243 HB2 SER 36 1HB SER 36 13.110 6.764 0.132
244 HB3 SER 36 2HB SER 36 13.701 5.441 -0.873
245 HG SER 36 HG SER 36 12.993 6.935 -2.676
246 H GLY 37 H GLY 37 10.494 6.830 -3.052
247 HA2 GLY 37 1HA GLY 37 11.029 4.476 -4.758
248 HA3 GLY 37 2HA GLY 37 9.541 5.406 -4.856
249 H GLU 38 H GLU 38 13.068 5.805 -5.131
250 HA GLU 38 HA GLU 38 14.348 7.075 -6.518
251 HB2 GLU 38 1HB GLU 38 11.929 6.531 -8.205
252 HB3 GLU 38 2HB GLU 38 13.196 7.593 -8.802
253 HG2 GLU 38 1HG GLU 38 14.792 5.660 -8.232
254 HG3 GLU 38 2HG GLU 38 13.332 4.673 -8.174
255 H LYS 39 H LYS 39 13.053 8.486 -4.530
256 HA LYS 39 HA LYS 39 12.255 10.987 -5.864
257 HB2 LYS 39 1HB LYS 39 10.634 9.844 -4.258
258 HB3 LYS 39 2HB LYS 39 11.751 10.289 -2.974
259 HG2 LYS 39 1HG LYS 39 10.070 11.942 -3.012
260 HG3 LYS 39 2HG LYS 39 11.504 12.674 -3.736
261 HD2 LYS 39 1HD LYS 39 9.936 13.318 -5.267
262 HD3 LYS 39 2HD LYS 39 10.398 11.763 -5.962
263 HE2 LYS 39 1HE LYS 39 8.202 11.810 -3.959
264 HE3 LYS 39 2HE LYS 39 7.863 12.430 -5.574
265 HZ1 LYS 39 3HZ LYS 39 7.323 10.122 -5.512
266 HZ2 LYS 39 1HZ LYS 39 8.837 9.715 -4.875
267 HZ3 LYS 39 2HZ LYS 39 8.715 10.296 -6.458
268 HA PRO 40 HA PRO 40 16.050 12.766 -4.473
269 HB2 PRO 40 1HB PRO 40 15.383 15.376 -4.807
270 HB3 PRO 40 2HB PRO 40 15.762 14.301 -6.158
271 HG2 PRO 40 1HG PRO 40 13.091 15.151 -5.105
272 HG3 PRO 40 2HG PRO 40 13.637 15.008 -6.786
273 HD2 PRO 40 1HD PRO 40 12.120 13.116 -5.581
274 HD3 PRO 40 2HD PRO 40 13.323 12.725 -6.826
275 H SER 41 H SER 41 13.062 14.345 -3.326
276 HA SER 41 HA SER 41 14.099 15.619 -1.098
277 HB2 SER 41 1HB SER 41 11.352 14.394 -1.450
278 HB3 SER 41 2HB SER 41 11.788 15.546 -0.188
279 HG SER 41 HG SER 41 10.805 16.523 -2.045
280 H GLY 42 H GLY 42 12.849 12.312 -1.388
281 HA2 GLY 42 1HA GLY 42 13.267 11.696 1.381
282 HA3 GLY 42 2HA GLY 42 12.880 10.551 0.105
283 HA PRO 43 HA PRO 43 17.266 9.858 1.508
284 HB2 PRO 43 1HB PRO 43 16.988 7.183 1.884
285 HB3 PRO 43 2HB PRO 43 16.624 8.373 3.139
286 HG2 PRO 43 1HG PRO 43 14.758 6.942 1.287
287 HG3 PRO 43 2HG PRO 43 14.580 7.270 3.021
288 HD2 PRO 43 1HD PRO 43 13.339 8.750 1.124
289 HD3 PRO 43 2HD PRO 43 13.882 9.438 2.668
290 H SER 44 H SER 44 18.798 8.138 0.590
291 HA SER 44 HA SER 44 18.095 7.630 -2.228
292 HB2 SER 44 1HB SER 44 19.866 9.398 -1.801
293 HB3 SER 44 2HB SER 44 20.890 8.103 -1.181
294 HG SER 44 HG SER 44 20.164 7.140 -3.399
295 H SER 45 H SER 45 18.445 5.634 -3.051
296 HA SER 45 HA SER 45 20.056 3.701 -1.601
297 HB2 SER 45 1HB SER 45 18.253 2.047 -1.437
298 HB3 SER 45 2HB SER 45 17.837 3.506 -0.537
299 HG SER 45 HG SER 45 16.849 4.023 -2.802
300 H GLY 46 H GLY 46 20.948 2.188 -2.914
301 HA2 GLY 46 1HA GLY 46 20.733 2.588 -5.743
302 HA3 GLY 46 2HA GLY 46 21.724 1.384 -4.934
Start of MODEL 10
1 H1 GLY 1 H GLY 1 6.959 -30.232 5.658
2 HA2 GLY 1 1HA GLY 1 6.779 -32.800 4.644
3 HA3 GLY 1 2HA GLY 1 7.271 -32.983 6.321
4 H SER 2 H SER 2 4.684 -32.359 4.172
5 HA SER 2 HA SER 2 2.429 -32.292 4.489
6 HB2 SER 2 1HB SER 2 3.078 -34.027 6.311
7 HB3 SER 2 2HB SER 2 2.805 -32.703 7.444
8 HG SER 2 HG SER 2 0.882 -33.417 5.502
9 H SER 3 H SER 3 3.842 -29.911 4.440
10 HA SER 3 HA SER 3 3.379 -28.135 6.537
11 HB2 SER 3 1HB SER 3 3.838 -27.824 3.598
12 HB3 SER 3 2HB SER 3 3.332 -26.415 4.529
13 HG SER 3 HG SER 3 5.400 -27.952 5.579
14 H GLY 4 H GLY 4 1.372 -28.180 7.447
15 HA2 GLY 4 1HA GLY 4 -0.985 -27.919 5.746
16 HA3 GLY 4 2HA GLY 4 -0.979 -28.210 7.479
17 H SER 5 H SER 5 0.714 -25.661 5.705
18 HA SER 5 HA SER 5 0.006 -23.638 7.504
19 HB2 SER 5 1HB SER 5 0.633 -22.115 5.485
20 HB3 SER 5 2HB SER 5 1.876 -23.149 6.190
21 HG SER 5 HG SER 5 0.449 -24.405 4.236
22 H SER 6 H SER 6 -1.433 -24.583 4.410
23 HA SER 6 HA SER 6 -3.275 -23.723 3.303
24 HB2 SER 6 1HB SER 6 -5.315 -24.290 4.481
25 HB3 SER 6 2HB SER 6 -4.096 -25.511 4.842
26 HG SER 6 HG SER 6 -5.136 -23.487 6.488
27 H GLY 7 H GLY 7 -1.768 -21.569 4.115
28 HA2 GLY 7 1HA GLY 7 -2.630 -19.623 5.730
29 HA3 GLY 7 2HA GLY 7 -2.127 -19.271 4.083
30 H THR 8 H THR 8 -4.267 -18.185 5.964
31 HA THR 8 HA THR 8 -6.827 -18.771 5.200
32 HB THR 8 HB THR 8 -5.737 -15.994 5.697
33 HG1 THR 8 HG1 THR 8 -5.487 -17.756 7.357
34 HG21 THR 8 3HG2 THR 8 -8.550 -16.985 6.123
35 HG22 THR 8 1HG2 THR 8 -8.035 -16.171 4.647
36 HG23 THR 8 2HG2 THR 8 -7.961 -15.325 6.193
37 H GLY 9 H GLY 9 -4.870 -16.172 3.719
38 HA2 GLY 9 1HA GLY 9 -5.414 -16.857 1.063
39 HA3 GLY 9 2HA GLY 9 -6.651 -15.721 1.578
40 H GLU 10 H GLU 10 -6.152 -13.862 0.592
41 HA GLU 10 HA GLU 10 -3.560 -12.661 1.214
42 HB2 GLU 10 1HB GLU 10 -4.605 -13.276 -1.509
43 HB3 GLU 10 2HB GLU 10 -3.733 -11.766 -1.282
44 HG2 GLU 10 1HG GLU 10 -1.787 -12.942 -0.514
45 HG3 GLU 10 2HG GLU 10 -2.654 -14.477 -0.549
46 H LYS 11 H LYS 11 -3.547 -10.390 1.203
47 HA LYS 11 HA LYS 11 -6.203 -9.212 1.512
48 HB2 LYS 11 1HB LYS 11 -4.773 -7.238 2.380
49 HB3 LYS 11 2HB LYS 11 -4.900 -8.685 3.371
50 HG2 LYS 11 1HG LYS 11 -2.639 -8.503 1.458
51 HG3 LYS 11 2HG LYS 11 -2.587 -7.505 2.913
52 HD2 LYS 11 1HD LYS 11 -2.586 -9.357 4.330
53 HD3 LYS 11 2HD LYS 11 -3.210 -10.433 3.077
54 HE2 LYS 11 1HE LYS 11 -1.024 -11.076 3.059
55 HE3 LYS 11 2HE LYS 11 -0.941 -9.761 1.889
56 HZ1 LYS 11 3HZ LYS 11 0.813 -9.334 3.315
57 HZ2 LYS 11 1HZ LYS 11 -0.047 -9.789 4.699
58 HZ3 LYS 11 2HZ LYS 11 -0.402 -8.327 3.927
59 HA PRO 12 HA PRO 12 -6.089 -6.953 -2.253
60 HB2 PRO 12 1HB PRO 12 -7.508 -4.747 -1.555
61 HB3 PRO 12 2HB PRO 12 -8.253 -6.331 -1.795
62 HG2 PRO 12 1HG PRO 12 -7.463 -4.977 0.755
63 HG3 PRO 12 2HG PRO 12 -8.938 -5.888 0.382
64 HD2 PRO 12 1HD PRO 12 -6.875 -6.961 1.769
65 HD3 PRO 12 2HD PRO 12 -7.910 -7.926 0.698
66 H TYR 13 H TYR 13 -4.950 -5.464 0.693
67 HA TYR 13 HA TYR 13 -3.232 -3.695 -0.919
68 HB2 TYR 13 1HB TYR 13 -4.094 -2.942 1.854
69 HB3 TYR 13 2HB TYR 13 -3.526 -1.907 0.549
70 HD1 TYR 13 HD2 TYR 13 -5.072 -1.659 -1.501
71 HD2 TYR 13 HD1 TYR 13 -6.380 -3.181 2.251
72 HE1 TYR 13 HE2 TYR 13 -7.398 -1.144 -2.110
73 HE2 TYR 13 HE1 TYR 13 -8.710 -2.671 1.652
74 HH TYR 13 HH TYR 13 -9.798 -0.827 -0.104
75 H GLU 14 H GLU 14 -1.217 -4.414 -0.788
76 HA GLU 14 HA GLU 14 -0.107 -5.038 1.843
77 HB2 GLU 14 1HB GLU 14 -0.655 -7.220 1.064
78 HB3 GLU 14 2HB GLU 14 -0.040 -6.874 -0.547
79 HG2 GLU 14 1HG GLU 14 1.853 -6.691 1.728
80 HG3 GLU 14 2HG GLU 14 1.330 -8.293 1.208
81 H CYS 15 H CYS 15 1.612 -3.792 2.104
82 HA CYS 15 HA CYS 15 2.800 -2.135 0.313
83 HB2 CYS 15 1HB CYS 15 3.217 -2.501 2.877
84 HB3 CYS 15 2HB CYS 15 4.554 -3.502 2.320
85 H ASP 16 H ASP 16 5.053 -2.220 -0.590
86 HA ASP 16 HA ASP 16 5.447 -4.805 -1.935
87 HB2 ASP 16 1HB ASP 16 6.298 -2.020 -2.755
88 HB3 ASP 16 2HB ASP 16 6.683 -3.489 -3.648
89 H VAL 17 H VAL 17 7.047 -2.295 -0.081
90 HA VAL 17 HA VAL 17 9.656 -3.498 -0.307
91 HB VAL 17 HB VAL 17 8.683 -1.317 1.544
92 HG11 VAL 17 1HG1 VAL 17 11.500 -2.138 0.845
93 HG12 VAL 17 2HG1 VAL 17 11.027 -0.812 1.909
94 HG13 VAL 17 3HG1 VAL 17 10.687 -2.480 2.372
95 HG21 VAL 17 3HG2 VAL 17 10.446 -0.310 -0.395
96 HG22 VAL 17 1HG2 VAL 17 9.293 -1.329 -1.258
97 HG23 VAL 17 2HG2 VAL 17 8.715 -0.004 -0.249
98 H CYS 18 H CYS 18 7.560 -2.842 2.508
99 HA CYS 18 HA CYS 18 8.920 -4.895 4.035
100 HB2 CYS 18 1HB CYS 18 7.628 -4.122 5.912
101 HB3 CYS 18 2HB CYS 18 8.226 -2.713 5.042
102 H ARG 19 H ARG 19 6.096 -4.591 2.112
103 HA ARG 19 HA ARG 19 4.446 -6.047 1.537
104 HB2 ARG 19 1HB ARG 19 6.373 -7.993 2.807
105 HB3 ARG 19 2HB ARG 19 4.883 -8.494 2.018
106 HG2 ARG 19 1HG ARG 19 6.384 -8.760 0.317
107 HG3 ARG 19 2HG ARG 19 5.837 -7.111 0.012
108 HD2 ARG 19 1HD ARG 19 8.102 -6.814 -0.112
109 HD3 ARG 19 2HD ARG 19 7.841 -6.505 1.604
110 HE ARG 19 HE ARG 19 8.362 -9.122 1.612
111 HH11 ARG 19 1HH1 ARG 19 9.967 -6.474 0.021
112 HH12 ARG 19 2HH1 ARG 19 11.529 -7.222 0.068
113 HH21 ARG 19 1HH2 ARG 19 10.414 -10.117 1.681
114 HH22 ARG 19 2HH2 ARG 19 11.782 -9.294 1.012
115 H LYS 20 H LYS 20 3.960 -4.565 3.783
116 HA LYS 20 HA LYS 20 2.916 -6.364 5.827
117 HB2 LYS 20 1HB LYS 20 4.152 -4.212 6.364
118 HB3 LYS 20 2HB LYS 20 2.736 -3.353 5.773
119 HG2 LYS 20 1HG LYS 20 1.363 -4.432 7.479
120 HG3 LYS 20 2HG LYS 20 2.782 -5.300 8.071
121 HD2 LYS 20 1HD LYS 20 3.841 -3.239 8.714
122 HD3 LYS 20 2HD LYS 20 2.552 -2.294 7.964
123 HE2 LYS 20 1HE LYS 20 1.049 -3.713 9.614
124 HE3 LYS 20 2HE LYS 20 2.560 -3.824 10.515
125 HZ1 LYS 20 3HZ LYS 20 1.464 -1.237 9.584
126 HZ2 LYS 20 1HZ LYS 20 2.659 -1.507 10.751
127 HZ3 LYS 20 2HZ LYS 20 1.049 -1.905 11.081
128 H ALA 21 H ALA 21 0.704 -6.188 6.566
129 HA ALA 21 HA ALA 21 -1.132 -5.662 4.335
130 HB1 ALA 21 3HB ALA 21 -2.346 -7.434 4.986
131 HB2 ALA 21 1HB ALA 21 -0.885 -7.891 5.863
132 HB3 ALA 21 2HB ALA 21 -2.187 -7.044 6.699
133 H PHE 22 H PHE 22 -2.943 -4.381 4.572
134 HA PHE 22 HA PHE 22 -3.239 -2.937 7.114
135 HB2 PHE 22 1HB PHE 22 -3.264 -1.673 4.365
136 HB3 PHE 22 2HB PHE 22 -3.604 -0.838 5.877
137 HD1 PHE 22 HD1 PHE 22 -0.958 -2.756 4.114
138 HD2 PHE 22 HD2 PHE 22 -1.885 0.150 7.082
139 HE1 PHE 22 HE1 PHE 22 1.439 -2.260 4.371
140 HE2 PHE 22 HE2 PHE 22 0.509 0.652 7.343
141 HZ PHE 22 HZ PHE 22 2.175 -0.552 5.986
142 H SER 23 H SER 23 -5.344 -1.974 7.435
143 HA SER 23 HA SER 23 -7.443 -3.683 6.458
144 HB2 SER 23 1HB SER 23 -7.198 -1.558 8.529
145 HB3 SER 23 2HB SER 23 -8.806 -1.881 7.883
146 HG SER 23 HG SER 23 -8.735 -3.905 8.669
147 H HIS 24 H HIS 24 -6.642 -0.234 6.208
148 HA HIS 24 HA HIS 24 -8.623 0.001 4.042
149 HB2 HIS 24 1HB HIS 24 -8.089 2.562 4.560
150 HB3 HIS 24 2HB HIS 24 -9.292 1.656 5.474
151 HD1 HIS 24 HD1 HIS 24 -6.677 3.920 6.046
152 HD2 HIS 24 HD2 HIS 24 -7.819 0.358 7.854
153 HE1 HIS 24 HE1 HIS 24 -5.628 3.959 8.331
154 H HIS 25 H HIS 25 -8.027 0.765 2.057
155 HA HIS 25 HA HIS 25 -5.515 0.288 1.062
156 HB2 HIS 25 1HB HIS 25 -7.455 0.612 -0.379
157 HB3 HIS 25 2HB HIS 25 -7.533 2.313 0.070
158 HD1 HIS 25 HD1 HIS 25 -5.475 3.812 -0.770
159 HD2 HIS 25 HD2 HIS 25 -5.818 0.048 -2.495
160 HE1 HIS 25 HE1 HIS 25 -4.047 3.888 -2.838
161 H ALA 26 H ALA 26 -6.824 3.451 2.046
162 HA ALA 26 HA ALA 26 -4.734 5.105 1.494
163 HB1 ALA 26 3HB ALA 26 -5.469 6.096 3.905
164 HB2 ALA 26 1HB ALA 26 -6.363 6.356 2.407
165 HB3 ALA 26 2HB ALA 26 -6.860 5.082 3.522
166 H SER 27 H SER 27 -5.131 3.409 4.613
167 HA SER 27 HA SER 27 -2.896 4.083 5.940
168 HB2 SER 27 1HB SER 27 -4.722 2.219 6.403
169 HB3 SER 27 2HB SER 27 -3.455 1.149 5.804
170 HG SER 27 HG SER 27 -2.181 2.620 7.440
171 H LEU 28 H LEU 28 -3.013 2.211 3.023
172 HA LEU 28 HA LEU 28 -0.282 1.295 3.218
173 HB2 LEU 28 1HB LEU 28 -2.083 0.016 2.070
174 HB3 LEU 28 2HB LEU 28 -2.128 1.273 0.835
175 HG LEU 28 HG LEU 28 0.267 0.729 0.325
176 HD11 LEU 28 1HD1 LEU 28 -0.072 -1.897 1.653
177 HD12 LEU 28 2HD1 LEU 28 0.362 -0.522 2.667
178 HD13 LEU 28 3HD1 LEU 28 1.393 -0.977 1.311
179 HD21 LEU 28 3HD2 LEU 28 -1.689 -0.127 -0.968
180 HD22 LEU 28 1HD2 LEU 28 -1.623 -1.596 0.006
181 HD23 LEU 28 2HD2 LEU 28 -0.264 -1.165 -1.034
182 H THR 29 H THR 29 -2.016 3.432 0.944
183 HA THR 29 HA THR 29 0.167 4.412 -0.434
184 HB THR 29 HB THR 29 -2.350 4.839 -0.839
185 HG1 THR 29 HG1 THR 29 -0.206 6.610 -1.292
186 HG21 THR 29 3HG2 THR 29 -1.665 7.135 0.995
187 HG22 THR 29 1HG2 THR 29 -2.921 5.920 1.230
188 HG23 THR 29 2HG2 THR 29 -3.070 7.104 -0.069
189 H GLN 30 H GLN 30 -0.981 5.243 2.749
190 HA GLN 30 HA GLN 30 0.609 7.631 2.971
191 HB2 GLN 30 1HB GLN 30 -1.213 6.092 4.747
192 HB3 GLN 30 2HB GLN 30 -0.010 7.118 5.519
193 HG2 GLN 30 1HG GLN 30 -0.867 9.062 4.444
194 HG3 GLN 30 2HG GLN 30 -1.930 8.095 3.423
195 HE21 GLN 30 1HE2 GLN 30 -2.745 10.230 5.086
196 HE22 GLN 30 2HE2 GLN 30 -3.803 9.589 6.291
197 H HIS 31 H HIS 31 0.701 4.490 4.665
198 HA HIS 31 HA HIS 31 3.120 4.831 5.965
199 HB2 HIS 31 1HB HIS 31 2.015 2.948 6.692
200 HB3 HIS 31 2HB HIS 31 1.557 2.457 5.064
201 HD1 HIS 31 HD1 HIS 31 4.514 2.406 7.410
202 HD2 HIS 31 HD2 HIS 31 3.233 0.633 3.877
203 HE1 HIS 31 HE1 HIS 31 6.177 0.580 6.932
204 H GLN 32 H GLN 32 2.531 3.400 2.764
205 HA GLN 32 HA GLN 32 4.899 2.495 1.949
206 HB2 GLN 32 1HB GLN 32 2.916 4.218 0.514
207 HB3 GLN 32 2HB GLN 32 4.411 3.764 -0.294
208 HG2 GLN 32 1HG GLN 32 3.843 1.377 0.184
209 HG3 GLN 32 2HG GLN 32 2.272 1.933 0.758
210 HE21 GLN 32 1HE2 GLN 32 2.456 0.149 -1.304
211 HE22 GLN 32 2HE2 GLN 32 1.962 0.905 -2.776
212 H ARG 33 H ARG 33 4.171 5.876 2.531
213 HA ARG 33 HA ARG 33 6.186 7.239 1.352
214 HB2 ARG 33 1HB ARG 33 4.884 7.531 4.026
215 HB3 ARG 33 2HB ARG 33 6.258 8.556 3.636
216 HG2 ARG 33 1HG ARG 33 4.947 9.106 1.483
217 HG3 ARG 33 2HG ARG 33 3.559 8.456 2.358
218 HD2 ARG 33 1HD ARG 33 3.388 10.643 2.972
219 HD3 ARG 33 2HD ARG 33 4.460 10.072 4.250
220 HE ARG 33 HE ARG 33 6.184 11.296 3.326
221 HH11 ARG 33 1HH1 ARG 33 3.443 11.271 1.178
222 HH12 ARG 33 2HH1 ARG 33 4.077 12.508 0.144
223 HH21 ARG 33 1HH2 ARG 33 7.029 12.926 1.971
224 HH22 ARG 33 2HH2 ARG 33 6.117 13.448 0.596
225 H VAL 34 H VAL 34 6.467 5.498 4.443
226 HA VAL 34 HA VAL 34 8.999 6.039 5.218
227 HB VAL 34 HB VAL 34 9.159 3.819 6.188
228 HG11 VAL 34 1HG1 VAL 34 6.328 4.856 6.269
229 HG12 VAL 34 2HG1 VAL 34 7.077 3.792 7.461
230 HG13 VAL 34 3HG1 VAL 34 7.670 5.440 7.252
231 HG21 VAL 34 3HG2 VAL 34 8.425 2.524 4.250
232 HG22 VAL 34 1HG2 VAL 34 7.512 2.083 5.692
233 HG23 VAL 34 2HG2 VAL 34 6.780 3.119 4.467
234 H HIS 35 H HIS 35 8.071 3.835 2.614
235 HA HIS 35 HA HIS 35 10.849 3.216 2.027
236 HB2 HIS 35 1HB HIS 35 8.434 2.386 0.421
237 HB3 HIS 35 2HB HIS 35 10.020 1.622 0.465
238 HD1 HIS 35 HD1 HIS 35 10.602 0.783 3.118
239 HD2 HIS 35 HD2 HIS 35 6.646 0.986 1.865
240 HE1 HIS 35 HE1 HIS 35 9.321 -0.703 4.691
241 H SER 36 H SER 36 10.311 5.926 1.781
242 HA SER 36 HA SER 36 10.492 6.302 -1.136
243 HB2 SER 36 1HB SER 36 9.274 8.206 0.880
244 HB3 SER 36 2HB SER 36 9.457 8.521 -0.845
245 HG SER 36 HG SER 36 7.368 7.760 -0.369
246 H GLY 37 H GLY 37 12.387 7.064 -1.791
247 HA2 GLY 37 1HA GLY 37 14.341 8.290 -1.830
248 HA3 GLY 37 2HA GLY 37 13.772 9.150 -0.407
249 H GLU 38 H GLU 38 15.490 9.085 0.924
250 HA GLU 38 HA GLU 38 17.159 6.772 1.179
251 HB2 GLU 38 1HB GLU 38 18.267 8.050 2.977
252 HB3 GLU 38 2HB GLU 38 18.104 8.984 1.496
253 HG2 GLU 38 1HG GLU 38 17.548 10.487 3.172
254 HG3 GLU 38 2HG GLU 38 15.988 9.950 2.551
255 H LYS 39 H LYS 39 17.437 5.475 3.048
256 HA LYS 39 HA LYS 39 15.100 5.409 4.842
257 HB2 LYS 39 1HB LYS 39 15.319 2.947 4.889
258 HB3 LYS 39 2HB LYS 39 14.941 3.558 3.284
259 HG2 LYS 39 1HG LYS 39 17.796 3.135 3.981
260 HG3 LYS 39 2HG LYS 39 16.788 1.719 3.675
261 HD2 LYS 39 1HD LYS 39 16.098 2.800 1.516
262 HD3 LYS 39 2HD LYS 39 17.325 4.032 1.817
263 HE2 LYS 39 1HE LYS 39 17.850 1.068 1.616
264 HE3 LYS 39 2HE LYS 39 18.111 2.232 0.318
265 HZ1 LYS 39 3HZ LYS 39 19.569 1.970 2.872
266 HZ2 LYS 39 1HZ LYS 39 19.602 3.415 1.993
267 HZ3 LYS 39 2HZ LYS 39 20.187 1.989 1.297
268 HA PRO 40 HA PRO 40 17.987 5.647 8.155
269 HB2 PRO 40 1HB PRO 40 16.471 4.566 10.131
270 HB3 PRO 40 2HB PRO 40 16.192 6.186 9.484
271 HG2 PRO 40 1HG PRO 40 14.783 3.623 8.846
272 HG3 PRO 40 2HG PRO 40 14.101 5.237 9.117
273 HD2 PRO 40 1HD PRO 40 14.462 4.206 6.640
274 HD3 PRO 40 2HD PRO 40 14.596 5.943 6.980
275 H SER 41 H SER 41 17.183 2.849 6.619
276 HA SER 41 HA SER 41 18.146 0.907 8.481
277 HB2 SER 41 1HB SER 41 16.578 0.330 6.657
278 HB3 SER 41 2HB SER 41 17.836 0.694 5.475
279 HG SER 41 HG SER 41 17.660 -1.439 7.293
280 H GLY 42 H GLY 42 20.111 -0.230 8.440
281 HA2 GLY 42 1HA GLY 42 22.407 1.327 7.974
282 HA3 GLY 42 2HA GLY 42 22.396 -0.398 8.312
283 HA PRO 43 HA PRO 43 24.078 0.112 4.055
284 HB2 PRO 43 1HB PRO 43 25.967 -1.817 4.337
285 HB3 PRO 43 2HB PRO 43 26.220 -0.143 4.844
286 HG2 PRO 43 1HG PRO 43 25.470 -2.528 6.491
287 HG3 PRO 43 2HG PRO 43 26.636 -1.242 6.851
288 HD2 PRO 43 1HD PRO 43 24.143 -1.285 7.907
289 HD3 PRO 43 2HD PRO 43 24.996 0.226 7.535
290 H SER 44 H SER 44 23.113 -0.917 2.428
291 HA SER 44 HA SER 44 21.357 -3.010 2.642
292 HB2 SER 44 1HB SER 44 23.024 -2.114 0.290
293 HB3 SER 44 2HB SER 44 21.786 -3.362 0.154
294 HG SER 44 HG SER 44 21.519 -0.651 0.344
295 H SER 45 H SER 45 21.491 -5.225 1.791
296 HA SER 45 HA SER 45 24.131 -6.452 1.830
297 HB2 SER 45 1HB SER 45 23.263 -6.418 4.205
298 HB3 SER 45 2HB SER 45 21.958 -7.474 3.666
299 HG SER 45 HG SER 45 24.486 -8.109 4.309
300 H GLY 46 H GLY 46 23.932 -8.871 1.371
301 HA2 GLY 46 1HA GLY 46 22.131 -10.476 0.486
302 HA3 GLY 46 2HA GLY 46 21.865 -9.208 -0.701
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.912 -33.854 5.890
2 HA2 GLY 1 1HA GLY 1 2.720 -34.604 3.078
3 HA3 GLY 1 2HA GLY 1 1.238 -34.045 3.840
4 H SER 2 H SER 2 0.967 -32.158 2.741
5 HA SER 2 HA SER 2 3.110 -30.316 2.291
6 HB2 SER 2 1HB SER 2 0.114 -30.024 1.988
7 HB3 SER 2 2HB SER 2 1.282 -28.798 1.496
8 HG SER 2 HG SER 2 2.214 -30.447 0.127
9 H SER 3 H SER 3 3.940 -29.925 4.380
10 HA SER 3 HA SER 3 2.209 -28.262 6.091
11 HB2 SER 3 1HB SER 3 3.584 -28.966 7.992
12 HB3 SER 3 2HB SER 3 2.916 -30.372 7.164
13 HG SER 3 HG SER 3 5.010 -30.877 7.396
14 H GLY 4 H GLY 4 2.695 -26.280 5.183
15 HA2 GLY 4 1HA GLY 4 5.014 -24.974 6.125
16 HA3 GLY 4 2HA GLY 4 5.224 -25.369 4.425
17 H SER 5 H SER 5 5.280 -23.180 3.842
18 HA SER 5 HA SER 5 3.729 -21.092 4.483
19 HB2 SER 5 1HB SER 5 5.474 -21.072 2.708
20 HB3 SER 5 2HB SER 5 4.330 -21.849 1.614
21 HG SER 5 HG SER 5 4.595 -19.364 1.768
22 H SER 6 H SER 6 1.730 -20.211 3.910
23 HA SER 6 HA SER 6 -0.298 -22.209 3.272
24 HB2 SER 6 1HB SER 6 -1.910 -20.533 4.057
25 HB3 SER 6 2HB SER 6 -0.636 -20.780 5.252
26 HG SER 6 HG SER 6 0.369 -18.890 4.029
27 H GLY 7 H GLY 7 0.759 -18.998 2.172
28 HA2 GLY 7 1HA GLY 7 0.471 -19.469 -0.538
29 HA3 GLY 7 2HA GLY 7 -1.086 -18.866 0.008
30 H THR 8 H THR 8 -0.241 -17.256 -1.727
31 HA THR 8 HA THR 8 1.159 -15.085 -0.306
32 HB THR 8 HB THR 8 2.620 -15.909 -2.050
33 HG1 THR 8 HG1 THR 8 1.442 -13.541 -3.082
34 HG21 THR 8 3HG2 THR 8 0.152 -16.159 -3.517
35 HG22 THR 8 1HG2 THR 8 1.735 -16.852 -3.867
36 HG23 THR 8 2HG2 THR 8 1.334 -15.235 -4.444
37 H GLY 9 H GLY 9 -0.895 -14.278 0.381
38 HA2 GLY 9 1HA GLY 9 -1.933 -12.134 -0.818
39 HA3 GLY 9 2HA GLY 9 -2.775 -13.420 -1.669
40 H GLU 10 H GLU 10 -2.826 -11.388 0.996
41 HA GLU 10 HA GLU 10 -4.973 -12.990 2.219
42 HB2 GLU 10 1HB GLU 10 -4.299 -12.231 4.420
43 HB3 GLU 10 2HB GLU 10 -2.944 -13.026 3.630
44 HG2 GLU 10 1HG GLU 10 -1.890 -10.945 3.168
45 HG3 GLU 10 2HG GLU 10 -3.315 -10.044 3.682
46 H LYS 11 H LYS 11 -3.755 -9.875 1.269
47 HA LYS 11 HA LYS 11 -6.446 -8.781 1.433
48 HB2 LYS 11 1HB LYS 11 -4.112 -7.771 3.017
49 HB3 LYS 11 2HB LYS 11 -5.321 -6.634 2.436
50 HG2 LYS 11 1HG LYS 11 -7.000 -7.550 3.751
51 HG3 LYS 11 2HG LYS 11 -6.132 -9.072 3.969
52 HD2 LYS 11 1HD LYS 11 -4.397 -7.746 5.248
53 HD3 LYS 11 2HD LYS 11 -5.535 -6.397 5.219
54 HE2 LYS 11 1HE LYS 11 -7.218 -7.894 6.295
55 HE3 LYS 11 2HE LYS 11 -5.956 -9.115 6.454
56 HZ1 LYS 11 3HZ LYS 11 -4.803 -7.839 7.985
57 HZ2 LYS 11 1HZ LYS 11 -6.414 -7.570 8.424
58 HZ3 LYS 11 2HZ LYS 11 -5.572 -6.399 7.540
59 HA PRO 12 HA PRO 12 -5.292 -6.894 -2.363
60 HB2 PRO 12 1HB PRO 12 -6.964 -4.756 -2.375
61 HB3 PRO 12 2HB PRO 12 -7.520 -6.411 -2.647
62 HG2 PRO 12 1HG PRO 12 -7.618 -4.768 -0.147
63 HG3 PRO 12 2HG PRO 12 -8.860 -5.826 -0.840
64 HD2 PRO 12 1HD PRO 12 -7.271 -6.595 1.213
65 HD3 PRO 12 2HD PRO 12 -7.879 -7.736 -0.003
66 H TYR 13 H TYR 13 -5.009 -5.204 0.636
67 HA TYR 13 HA TYR 13 -3.368 -3.118 -0.631
68 HB2 TYR 13 1HB TYR 13 -4.355 -3.082 2.215
69 HB3 TYR 13 2HB TYR 13 -3.787 -1.731 1.240
70 HD1 TYR 13 HD2 TYR 13 -5.244 -1.650 -1.127
71 HD2 TYR 13 HD1 TYR 13 -6.604 -2.987 2.676
72 HE1 TYR 13 HE2 TYR 13 -7.560 -1.146 -1.785
73 HE2 TYR 13 HE1 TYR 13 -8.924 -2.488 2.029
74 HH TYR 13 HH TYR 13 -10.208 -2.305 -0.219
75 H GLU 14 H GLU 14 -1.497 -4.387 -0.860
76 HA GLU 14 HA GLU 14 -0.128 -4.980 1.682
77 HB2 GLU 14 1HB GLU 14 -0.697 -7.061 0.551
78 HB3 GLU 14 2HB GLU 14 0.062 -6.491 -0.929
79 HG2 GLU 14 1HG GLU 14 2.227 -6.409 0.271
80 HG3 GLU 14 2HG GLU 14 1.432 -7.120 1.673
81 H CYS 15 H CYS 15 1.912 -4.226 1.930
82 HA CYS 15 HA CYS 15 2.825 -2.208 0.118
83 HB2 CYS 15 1HB CYS 15 3.089 -2.276 2.681
84 HB3 CYS 15 2HB CYS 15 4.445 -3.359 2.380
85 H ASP 16 H ASP 16 4.286 -2.347 -1.468
86 HA ASP 16 HA ASP 16 5.375 -4.958 -2.116
87 HB2 ASP 16 1HB ASP 16 5.807 -2.413 -3.672
88 HB3 ASP 16 2HB ASP 16 5.870 -4.073 -4.258
89 H VAL 17 H VAL 17 6.357 -3.172 0.148
90 HA VAL 17 HA VAL 17 9.199 -3.148 -0.639
91 HB VAL 17 HB VAL 17 7.826 -1.344 1.359
92 HG11 VAL 17 1HG1 VAL 17 9.896 -1.433 2.285
93 HG12 VAL 17 2HG1 VAL 17 10.671 -1.922 0.777
94 HG13 VAL 17 3HG1 VAL 17 10.231 -0.234 1.037
95 HG21 VAL 17 3HG2 VAL 17 7.530 0.120 -0.288
96 HG22 VAL 17 1HG2 VAL 17 9.219 -0.017 -0.778
97 HG23 VAL 17 2HG2 VAL 17 8.019 -1.135 -1.426
98 H CYS 18 H CYS 18 7.071 -3.358 2.216
99 HA CYS 18 HA CYS 18 9.040 -5.169 3.446
100 HB2 CYS 18 1HB CYS 18 7.867 -4.587 5.598
101 HB3 CYS 18 2HB CYS 18 8.707 -3.244 4.827
102 H ARG 19 H ARG 19 6.153 -5.179 1.833
103 HA ARG 19 HA ARG 19 4.532 -6.739 1.501
104 HB2 ARG 19 1HB ARG 19 6.672 -8.350 2.840
105 HB3 ARG 19 2HB ARG 19 5.097 -9.077 2.550
106 HG2 ARG 19 1HG ARG 19 6.615 -9.628 0.758
107 HG3 ARG 19 2HG ARG 19 5.324 -8.585 0.157
108 HD2 ARG 19 1HD ARG 19 6.898 -6.644 0.493
109 HD3 ARG 19 2HD ARG 19 8.169 -7.830 0.789
110 HE ARG 19 HE ARG 19 6.722 -8.157 -1.695
111 HH11 ARG 19 1HH1 ARG 19 9.482 -6.773 -0.088
112 HH12 ARG 19 2HH1 ARG 19 10.410 -6.608 -1.542
113 HH21 ARG 19 1HH2 ARG 19 7.933 -7.946 -3.616
114 HH22 ARG 19 2HH2 ARG 19 9.528 -7.275 -3.548
115 H LYS 20 H LYS 20 3.963 -4.972 3.458
116 HA LYS 20 HA LYS 20 3.064 -6.437 5.811
117 HB2 LYS 20 1HB LYS 20 3.377 -3.571 5.079
118 HB3 LYS 20 2HB LYS 20 2.138 -3.970 6.262
119 HG2 LYS 20 1HG LYS 20 3.901 -5.170 7.572
120 HG3 LYS 20 2HG LYS 20 5.091 -4.508 6.449
121 HD2 LYS 20 1HD LYS 20 5.165 -2.911 8.084
122 HD3 LYS 20 2HD LYS 20 3.891 -2.237 7.065
123 HE2 LYS 20 1HE LYS 20 2.351 -3.715 8.615
124 HE3 LYS 20 2HE LYS 20 3.707 -3.553 9.730
125 HZ1 LYS 20 3HZ LYS 20 1.836 -1.820 9.804
126 HZ2 LYS 20 1HZ LYS 20 2.558 -1.177 8.415
127 HZ3 LYS 20 2HZ LYS 20 3.436 -1.274 9.857
128 H ALA 21 H ALA 21 0.772 -5.439 6.577
129 HA ALA 21 HA ALA 21 -1.100 -5.614 4.320
130 HB1 ALA 21 3HB ALA 21 -2.577 -7.038 5.797
131 HB2 ALA 21 1HB ALA 21 -1.130 -7.820 5.161
132 HB3 ALA 21 2HB ALA 21 -1.168 -7.262 6.834
133 H PHE 22 H PHE 22 -2.823 -4.273 4.439
134 HA PHE 22 HA PHE 22 -3.311 -2.864 6.972
135 HB2 PHE 22 1HB PHE 22 -3.224 -1.536 4.255
136 HB3 PHE 22 2HB PHE 22 -3.547 -0.746 5.795
137 HD1 PHE 22 HD1 PHE 22 -0.954 -2.544 3.863
138 HD2 PHE 22 HD2 PHE 22 -1.797 0.034 7.143
139 HE1 PHE 22 HE1 PHE 22 1.453 -2.117 4.141
140 HE2 PHE 22 HE2 PHE 22 0.608 0.467 7.425
141 HZ PHE 22 HZ PHE 22 2.237 -0.608 5.923
142 H SER 23 H SER 23 -5.438 -2.119 7.290
143 HA SER 23 HA SER 23 -7.439 -3.757 6.066
144 HB2 SER 23 1HB SER 23 -7.547 -1.537 8.108
145 HB3 SER 23 2HB SER 23 -9.000 -2.336 7.509
146 HG SER 23 HG SER 23 -7.850 -3.173 9.503
147 H HIS 24 H HIS 24 -6.884 -0.238 6.160
148 HA HIS 24 HA HIS 24 -8.782 0.121 3.973
149 HB2 HIS 24 1HB HIS 24 -8.680 1.613 6.060
150 HB3 HIS 24 2HB HIS 24 -7.227 2.306 5.347
151 HD1 HIS 24 HD1 HIS 24 -8.453 4.600 5.151
152 HD2 HIS 24 HD2 HIS 24 -10.151 1.531 2.923
153 HE1 HIS 24 HE1 HIS 24 -10.037 5.725 3.554
154 H HIS 25 H HIS 25 -8.248 0.997 1.980
155 HA HIS 25 HA HIS 25 -5.839 0.241 0.828
156 HB2 HIS 25 1HB HIS 25 -6.564 1.319 -1.128
157 HB3 HIS 25 2HB HIS 25 -8.059 0.890 -0.302
158 HD1 HIS 25 HD1 HIS 25 -9.355 2.869 0.873
159 HD2 HIS 25 HD2 HIS 25 -6.170 4.016 -1.535
160 HE1 HIS 25 HE1 HIS 25 -9.660 5.334 0.484
161 H ALA 26 H ALA 26 -6.844 3.443 1.993
162 HA ALA 26 HA ALA 26 -4.557 4.865 1.265
163 HB1 ALA 26 3HB ALA 26 -5.502 6.594 2.352
164 HB2 ALA 26 1HB ALA 26 -6.898 5.520 2.443
165 HB3 ALA 26 2HB ALA 26 -5.795 5.653 3.814
166 H SER 27 H SER 27 -5.311 3.253 4.349
167 HA SER 27 HA SER 27 -3.165 3.864 5.876
168 HB2 SER 27 1HB SER 27 -4.785 1.381 5.582
169 HB3 SER 27 2HB SER 27 -3.309 1.283 6.543
170 HG SER 27 HG SER 27 -5.310 1.893 7.680
171 H LEU 28 H LEU 28 -3.129 2.028 2.955
172 HA LEU 28 HA LEU 28 -0.477 0.947 3.413
173 HB2 LEU 28 1HB LEU 28 -2.041 -0.424 2.213
174 HB3 LEU 28 2HB LEU 28 -2.330 0.859 1.040
175 HG LEU 28 HG LEU 28 0.028 0.609 0.279
176 HD11 LEU 28 1HD1 LEU 28 -0.006 -1.454 2.419
177 HD12 LEU 28 2HD1 LEU 28 1.277 -0.346 1.934
178 HD13 LEU 28 3HD1 LEU 28 0.929 -1.772 0.957
179 HD21 LEU 28 3HD2 LEU 28 -2.156 -0.761 -0.477
180 HD22 LEU 28 1HD2 LEU 28 -1.105 -2.100 -0.013
181 HD23 LEU 28 2HD2 LEU 28 -0.576 -0.949 -1.240
182 H THR 29 H THR 29 -1.974 3.164 1.056
183 HA THR 29 HA THR 29 0.394 3.975 -0.192
184 HB THR 29 HB THR 29 -2.004 4.411 -0.956
185 HG1 THR 29 HG1 THR 29 -0.299 6.685 -1.049
186 HG21 THR 29 3HG2 THR 29 -3.296 5.935 0.058
187 HG22 THR 29 1HG2 THR 29 -1.970 7.089 0.196
188 HG23 THR 29 2HG2 THR 29 -2.165 5.821 1.406
189 H GLN 30 H GLN 30 -1.068 4.962 2.807
190 HA GLN 30 HA GLN 30 0.435 7.376 3.105
191 HB2 GLN 30 1HB GLN 30 -0.596 7.602 5.183
192 HB3 GLN 30 2HB GLN 30 -1.786 6.706 4.247
193 HG2 GLN 30 1HG GLN 30 -1.246 4.675 5.327
194 HG3 GLN 30 2HG GLN 30 0.203 5.367 6.054
195 HE21 GLN 30 1HE2 GLN 30 -3.314 5.752 5.966
196 HE22 GLN 30 2HE2 GLN 30 -3.479 6.224 7.620
197 H HIS 31 H HIS 31 0.798 4.046 4.215
198 HA HIS 31 HA HIS 31 3.076 4.566 5.851
199 HB2 HIS 31 1HB HIS 31 2.043 2.615 6.506
200 HB3 HIS 31 2HB HIS 31 1.668 2.132 4.855
201 HD1 HIS 31 HD1 HIS 31 4.256 1.832 7.495
202 HD2 HIS 31 HD2 HIS 31 3.765 0.783 3.506
203 HE1 HIS 31 HE1 HIS 31 6.101 0.197 6.998
204 H GLN 32 H GLN 32 2.639 3.253 2.582
205 HA GLN 32 HA GLN 32 5.053 2.440 1.804
206 HB2 GLN 32 1HB GLN 32 3.108 4.223 0.376
207 HB3 GLN 32 2HB GLN 32 4.619 3.762 -0.397
208 HG2 GLN 32 1HG GLN 32 4.044 1.439 -0.271
209 HG3 GLN 32 2HG GLN 32 2.606 1.804 0.681
210 HE21 GLN 32 1HE2 GLN 32 1.937 0.381 -1.293
211 HE22 GLN 32 2HE2 GLN 32 1.307 1.267 -2.635
212 H ARG 33 H ARG 33 4.228 5.768 2.534
213 HA ARG 33 HA ARG 33 6.325 7.173 1.481
214 HB2 ARG 33 1HB ARG 33 4.761 7.473 4.015
215 HB3 ARG 33 2HB ARG 33 6.133 8.533 3.720
216 HG2 ARG 33 1HG ARG 33 5.081 9.176 1.555
217 HG3 ARG 33 2HG ARG 33 3.662 8.240 2.030
218 HD2 ARG 33 1HD ARG 33 3.107 10.397 2.683
219 HD3 ARG 33 2HD ARG 33 3.714 9.675 4.173
220 HE ARG 33 HE ARG 33 5.676 11.108 2.601
221 HH11 ARG 33 1HH1 ARG 33 3.347 11.240 5.186
222 HH12 ARG 33 2HH1 ARG 33 4.066 12.626 5.937
223 HH21 ARG 33 1HH2 ARG 33 6.631 12.933 3.581
224 HH22 ARG 33 2HH2 ARG 33 5.933 13.589 5.023
225 H VAL 34 H VAL 34 6.295 5.494 4.621
226 HA VAL 34 HA VAL 34 8.698 6.065 5.679
227 HB VAL 34 HB VAL 34 8.836 3.775 6.568
228 HG11 VAL 34 1HG1 VAL 34 6.000 4.800 6.539
229 HG12 VAL 34 2HG1 VAL 34 6.747 3.783 7.772
230 HG13 VAL 34 3HG1 VAL 34 7.294 5.446 7.548
231 HG21 VAL 34 3HG2 VAL 34 7.894 1.995 5.597
232 HG22 VAL 34 1HG2 VAL 34 6.356 2.828 5.372
233 HG23 VAL 34 2HG2 VAL 34 7.652 3.035 4.194
234 H HIS 35 H HIS 35 8.161 4.304 2.735
235 HA HIS 35 HA HIS 35 10.997 3.594 2.548
236 HB2 HIS 35 1HB HIS 35 8.825 2.858 0.589
237 HB3 HIS 35 2HB HIS 35 10.401 2.100 0.793
238 HD1 HIS 35 HD1 HIS 35 10.625 1.142 3.481
239 HD2 HIS 35 HD2 HIS 35 6.899 1.310 1.653
240 HE1 HIS 35 HE1 HIS 35 9.174 -0.461 4.765
241 H SER 36 H SER 36 12.294 5.037 1.641
242 HA SER 36 HA SER 36 11.765 7.379 0.452
243 HB2 SER 36 1HB SER 36 13.901 7.114 -0.848
244 HB3 SER 36 2HB SER 36 14.046 6.729 0.866
245 HG SER 36 HG SER 36 14.401 5.130 -1.312
246 H GLY 37 H GLY 37 10.881 8.143 -1.370
247 HA2 GLY 37 1HA GLY 37 10.210 6.179 -3.472
248 HA3 GLY 37 2HA GLY 37 9.220 7.574 -3.072
249 H GLU 38 H GLU 38 9.361 7.962 -5.412
250 HA GLU 38 HA GLU 38 10.313 8.849 -7.309
251 HB2 GLU 38 1HB GLU 38 11.250 10.772 -5.173
252 HB3 GLU 38 2HB GLU 38 11.260 11.112 -6.898
253 HG2 GLU 38 1HG GLU 38 8.997 11.354 -7.011
254 HG3 GLU 38 2HG GLU 38 8.702 10.270 -5.653
255 H LYS 39 H LYS 39 11.881 6.750 -6.391
256 HA LYS 39 HA LYS 39 14.615 7.440 -6.092
257 HB2 LYS 39 1HB LYS 39 15.026 5.036 -6.613
258 HB3 LYS 39 2HB LYS 39 13.852 5.292 -5.329
259 HG2 LYS 39 1HG LYS 39 12.752 3.705 -6.515
260 HG3 LYS 39 2HG LYS 39 12.153 5.138 -7.353
261 HD2 LYS 39 1HD LYS 39 14.069 4.836 -8.974
262 HD3 LYS 39 2HD LYS 39 14.345 3.264 -8.220
263 HE2 LYS 39 1HE LYS 39 11.882 2.796 -8.709
264 HE3 LYS 39 2HE LYS 39 11.946 4.208 -9.763
265 HZ1 LYS 39 3HZ LYS 39 14.136 2.514 -10.305
266 HZ2 LYS 39 1HZ LYS 39 12.880 2.987 -11.336
267 HZ3 LYS 39 2HZ LYS 39 12.706 1.611 -10.368
268 HA PRO 40 HA PRO 40 15.767 8.370 -10.237
269 HB2 PRO 40 1HB PRO 40 18.418 7.803 -10.088
270 HB3 PRO 40 2HB PRO 40 17.699 9.238 -9.348
271 HG2 PRO 40 1HG PRO 40 18.447 6.629 -8.086
272 HG3 PRO 40 2HG PRO 40 18.698 8.276 -7.481
273 HD2 PRO 40 1HD PRO 40 16.679 6.697 -6.609
274 HD3 PRO 40 2HD PRO 40 16.531 8.462 -6.719
275 H SER 41 H SER 41 15.917 5.249 -8.899
276 HA SER 41 HA SER 41 15.862 3.169 -9.824
277 HB2 SER 41 1HB SER 41 14.322 4.238 -11.474
278 HB3 SER 41 2HB SER 41 15.717 4.593 -12.493
279 HG SER 41 HG SER 41 16.112 2.280 -12.477
280 H GLY 42 H GLY 42 18.326 4.217 -9.146
281 HA2 GLY 42 1HA GLY 42 20.354 4.289 -10.986
282 HA3 GLY 42 2HA GLY 42 20.541 3.629 -9.368
283 HA PRO 43 HA PRO 43 20.648 0.340 -12.890
284 HB2 PRO 43 1HB PRO 43 23.274 0.372 -13.575
285 HB3 PRO 43 2HB PRO 43 22.052 1.339 -14.410
286 HG2 PRO 43 1HG PRO 43 23.987 2.161 -12.279
287 HG3 PRO 43 2HG PRO 43 23.523 3.019 -13.760
288 HD2 PRO 43 1HD PRO 43 22.501 3.647 -11.332
289 HD3 PRO 43 2HD PRO 43 21.570 3.821 -12.834
290 H SER 44 H SER 44 21.887 1.036 -9.917
291 HA SER 44 HA SER 44 22.910 -0.143 -8.251
292 HB2 SER 44 1HB SER 44 21.682 -2.518 -9.671
293 HB3 SER 44 2HB SER 44 22.131 -2.422 -7.968
294 HG SER 44 HG SER 44 20.163 -1.750 -7.699
295 H SER 45 H SER 45 24.621 0.432 -10.384
296 HA SER 45 HA SER 45 26.531 -0.232 -11.470
297 HB2 SER 45 1HB SER 45 26.828 -1.500 -8.741
298 HB3 SER 45 2HB SER 45 28.143 -1.390 -9.911
299 HG SER 45 HG SER 45 26.826 0.665 -8.512
300 H GLY 46 H GLY 46 24.394 -1.846 -12.232
301 HA2 GLY 46 1HA GLY 46 25.798 -4.398 -12.683
302 HA3 GLY 46 2HA GLY 46 24.106 -4.390 -12.210
Start of MODEL 12
1 H1 GLY 1 H GLY 1 8.054 -18.984 5.311
2 HA2 GLY 1 1HA GLY 1 5.696 -20.135 6.552
3 HA3 GLY 1 2HA GLY 1 6.107 -18.428 6.471
4 H SER 2 H SER 2 3.556 -18.975 6.050
5 HA SER 2 HA SER 2 3.123 -18.084 3.373
6 HB2 SER 2 1HB SER 2 3.372 -20.466 2.888
7 HB3 SER 2 2HB SER 2 2.162 -20.861 4.109
8 HG SER 2 HG SER 2 0.652 -19.653 2.844
9 H SER 3 H SER 3 1.052 -17.251 3.058
10 HA SER 3 HA SER 3 -0.946 -17.573 5.140
11 HB2 SER 3 1HB SER 3 -1.110 -15.236 5.694
12 HB3 SER 3 2HB SER 3 0.571 -15.721 5.914
13 HG SER 3 HG SER 3 -0.220 -13.717 4.529
14 H GLY 4 H GLY 4 -2.869 -15.986 4.578
15 HA2 GLY 4 1HA GLY 4 -3.699 -14.813 2.442
16 HA3 GLY 4 2HA GLY 4 -3.372 -16.373 1.702
17 H SER 5 H SER 5 -5.429 -14.614 3.914
18 HA SER 5 HA SER 5 -7.104 -16.848 4.549
19 HB2 SER 5 1HB SER 5 -8.582 -15.163 5.578
20 HB3 SER 5 2HB SER 5 -6.906 -14.946 6.084
21 HG SER 5 HG SER 5 -7.631 -13.547 3.820
22 H SER 6 H SER 6 -9.289 -17.152 3.898
23 HA SER 6 HA SER 6 -9.879 -16.030 1.237
24 HB2 SER 6 1HB SER 6 -11.124 -18.125 0.789
25 HB3 SER 6 2HB SER 6 -9.418 -18.424 1.119
26 HG SER 6 HG SER 6 -10.619 -18.519 3.439
27 H GLY 7 H GLY 7 -10.634 -14.633 3.516
28 HA2 GLY 7 1HA GLY 7 -13.128 -13.788 3.149
29 HA3 GLY 7 2HA GLY 7 -13.429 -15.271 4.043
30 H THR 8 H THR 8 -14.435 -13.750 5.577
31 HA THR 8 HA THR 8 -14.448 -12.430 7.447
32 HB THR 8 HB THR 8 -11.895 -13.909 8.097
33 HG1 THR 8 HG1 THR 8 -14.026 -15.084 7.424
34 HG21 THR 8 3HG2 THR 8 -13.196 -13.758 10.413
35 HG22 THR 8 1HG2 THR 8 -13.876 -12.325 9.644
36 HG23 THR 8 2HG2 THR 8 -12.131 -12.468 9.854
37 H GLY 9 H GLY 9 -13.281 -11.116 5.255
38 HA2 GLY 9 1HA GLY 9 -12.449 -8.795 5.698
39 HA3 GLY 9 2HA GLY 9 -11.131 -9.569 6.565
40 H GLU 10 H GLU 10 -11.009 -7.750 4.290
41 HA GLU 10 HA GLU 10 -9.714 -9.540 2.337
42 HB2 GLU 10 1HB GLU 10 -10.216 -7.909 0.603
43 HB3 GLU 10 2HB GLU 10 -11.695 -8.413 1.409
44 HG2 GLU 10 1HG GLU 10 -11.526 -6.340 2.807
45 HG3 GLU 10 2HG GLU 10 -10.209 -5.825 1.755
46 H LYS 11 H LYS 11 -7.589 -9.331 2.174
47 HA LYS 11 HA LYS 11 -6.359 -6.757 2.905
48 HB2 LYS 11 1HB LYS 11 -4.417 -8.101 3.781
49 HB3 LYS 11 2HB LYS 11 -5.891 -8.213 4.733
50 HG2 LYS 11 1HG LYS 11 -6.397 -10.363 3.625
51 HG3 LYS 11 2HG LYS 11 -4.850 -10.257 2.782
52 HD2 LYS 11 1HD LYS 11 -4.849 -9.984 5.742
53 HD3 LYS 11 2HD LYS 11 -5.117 -11.589 5.058
54 HE2 LYS 11 1HE LYS 11 -3.028 -11.617 4.012
55 HE3 LYS 11 2HE LYS 11 -2.837 -9.870 4.143
56 HZ1 LYS 11 3HZ LYS 11 -1.435 -11.062 5.722
57 HZ2 LYS 11 1HZ LYS 11 -2.801 -11.773 6.423
58 HZ3 LYS 11 2HZ LYS 11 -2.573 -10.100 6.523
59 HA PRO 12 HA PRO 12 -5.029 -8.519 -1.303
60 HB2 PRO 12 1HB PRO 12 -6.271 -6.684 -2.872
61 HB3 PRO 12 2HB PRO 12 -7.033 -8.202 -2.381
62 HG2 PRO 12 1HG PRO 12 -7.366 -5.458 -1.233
63 HG3 PRO 12 2HG PRO 12 -8.600 -6.684 -1.577
64 HD2 PRO 12 1HD PRO 12 -7.628 -6.254 0.913
65 HD3 PRO 12 2HD PRO 12 -8.155 -7.856 0.357
66 H TYR 13 H TYR 13 -4.644 -5.881 0.646
67 HA TYR 13 HA TYR 13 -2.930 -4.419 -1.227
68 HB2 TYR 13 1HB TYR 13 -3.690 -3.630 1.589
69 HB3 TYR 13 2HB TYR 13 -2.967 -2.607 0.352
70 HD1 TYR 13 HD1 TYR 13 -6.056 -4.300 1.421
71 HD2 TYR 13 HD2 TYR 13 -4.308 -1.599 -1.363
72 HE1 TYR 13 HE1 TYR 13 -8.301 -3.605 0.695
73 HE2 TYR 13 HE2 TYR 13 -6.548 -0.895 -2.095
74 HH TYR 13 HH TYR 13 -9.477 -2.253 -0.612
75 H GLU 14 H GLU 14 -0.758 -4.293 -1.010
76 HA GLU 14 HA GLU 14 0.557 -5.184 1.410
77 HB2 GLU 14 1HB GLU 14 0.196 -7.299 0.232
78 HB3 GLU 14 2HB GLU 14 0.962 -6.642 -1.207
79 HG2 GLU 14 1HG GLU 14 3.067 -6.418 0.030
80 HG3 GLU 14 2HG GLU 14 2.293 -7.119 1.450
81 H CYS 15 H CYS 15 2.689 -4.487 1.579
82 HA CYS 15 HA CYS 15 3.352 -2.212 -0.026
83 HB2 CYS 15 1HB CYS 15 3.868 -2.757 2.511
84 HB3 CYS 15 2HB CYS 15 5.332 -3.460 1.831
85 H ASP 16 H ASP 16 5.858 -2.083 -0.618
86 HA ASP 16 HA ASP 16 6.477 -4.476 -2.224
87 HB2 ASP 16 1HB ASP 16 7.047 -1.604 -2.984
88 HB3 ASP 16 2HB ASP 16 7.363 -3.032 -3.966
89 H VAL 17 H VAL 17 7.577 -2.115 0.011
90 HA VAL 17 HA VAL 17 10.388 -2.767 -0.383
91 HB VAL 17 HB VAL 17 9.061 -0.895 1.582
92 HG11 VAL 17 1HG1 VAL 17 11.518 -2.074 1.867
93 HG12 VAL 17 2HG1 VAL 17 11.914 -0.555 1.061
94 HG13 VAL 17 3HG1 VAL 17 11.028 -0.541 2.587
95 HG21 VAL 17 3HG2 VAL 17 9.322 -0.529 -1.085
96 HG22 VAL 17 1HG2 VAL 17 9.332 0.779 0.098
97 HG23 VAL 17 2HG2 VAL 17 10.854 0.133 -0.515
98 H CYS 18 H CYS 18 7.891 -3.079 2.118
99 HA CYS 18 HA CYS 18 9.614 -5.043 3.482
100 HB2 CYS 18 1HB CYS 18 8.334 -4.504 5.540
101 HB3 CYS 18 2HB CYS 18 9.208 -3.116 4.898
102 H ARG 19 H ARG 19 7.001 -4.790 1.511
103 HA ARG 19 HA ARG 19 5.204 -6.100 1.004
104 HB2 ARG 19 1HB ARG 19 6.879 -8.268 2.281
105 HB3 ARG 19 2HB ARG 19 5.589 -8.493 1.108
106 HG2 ARG 19 1HG ARG 19 8.226 -7.124 0.620
107 HG3 ARG 19 2HG ARG 19 7.746 -8.723 0.047
108 HD2 ARG 19 1HD ARG 19 5.856 -7.610 -1.173
109 HD3 ARG 19 2HD ARG 19 6.578 -6.061 -0.741
110 HE ARG 19 HE ARG 19 8.218 -6.411 -2.317
111 HH11 ARG 19 1HH1 ARG 19 6.407 -9.344 -1.827
112 HH12 ARG 19 2HH1 ARG 19 7.108 -10.158 -3.187
113 HH21 ARG 19 1HH2 ARG 19 9.148 -7.472 -4.109
114 HH22 ARG 19 2HH2 ARG 19 8.668 -9.092 -4.483
115 H LYS 20 H LYS 20 4.745 -4.697 3.289
116 HA LYS 20 HA LYS 20 3.865 -6.431 5.414
117 HB2 LYS 20 1HB LYS 20 4.713 -4.012 5.631
118 HB3 LYS 20 2HB LYS 20 3.111 -3.534 5.085
119 HG2 LYS 20 1HG LYS 20 2.089 -4.254 7.013
120 HG3 LYS 20 2HG LYS 20 3.367 -5.413 7.385
121 HD2 LYS 20 1HD LYS 20 4.872 -3.597 7.972
122 HD3 LYS 20 2HD LYS 20 3.642 -2.410 7.531
123 HE2 LYS 20 1HE LYS 20 3.304 -4.491 9.687
124 HE3 LYS 20 2HE LYS 20 3.832 -2.835 9.983
125 HZ1 LYS 20 3HZ LYS 20 1.324 -3.329 8.525
126 HZ2 LYS 20 1HZ LYS 20 1.775 -1.990 9.457
127 HZ3 LYS 20 2HZ LYS 20 1.346 -3.441 10.213
128 H ALA 21 H ALA 21 1.555 -6.089 6.261
129 HA ALA 21 HA ALA 21 -0.315 -6.237 3.985
130 HB1 ALA 21 3HB ALA 21 -0.055 -7.919 6.429
131 HB2 ALA 21 1HB ALA 21 -1.655 -7.672 5.728
132 HB3 ALA 21 2HB ALA 21 -0.369 -8.393 4.759
133 H PHE 22 H PHE 22 -2.234 -5.151 4.114
134 HA PHE 22 HA PHE 22 -2.837 -3.700 6.590
135 HB2 PHE 22 1HB PHE 22 -2.844 -2.425 3.846
136 HB3 PHE 22 2HB PHE 22 -3.263 -1.638 5.364
137 HD1 PHE 22 HD1 PHE 22 -0.509 -3.079 3.393
138 HD2 PHE 22 HD2 PHE 22 -1.589 -0.806 6.826
139 HE1 PHE 22 HE1 PHE 22 1.842 -2.417 3.690
140 HE2 PHE 22 HE2 PHE 22 0.760 -0.140 7.128
141 HZ PHE 22 HZ PHE 22 2.479 -0.945 5.559
142 H SER 23 H SER 23 -5.062 -2.696 6.491
143 HA SER 23 HA SER 23 -6.883 -4.410 4.931
144 HB2 SER 23 1HB SER 23 -8.456 -4.314 6.841
145 HB3 SER 23 2HB SER 23 -6.929 -5.079 7.280
146 HG SER 23 HG SER 23 -6.535 -2.588 7.798
147 H HIS 24 H HIS 24 -5.895 -1.851 4.138
148 HA HIS 24 HA HIS 24 -8.318 -0.592 3.421
149 HB2 HIS 24 1HB HIS 24 -7.805 0.094 5.929
150 HB3 HIS 24 2HB HIS 24 -6.717 1.241 5.151
151 HD1 HIS 24 HD1 HIS 24 -8.277 2.308 2.864
152 HD2 HIS 24 HD2 HIS 24 -10.047 1.466 6.527
153 HE1 HIS 24 HE1 HIS 24 -10.369 3.702 2.936
154 H HIS 25 H HIS 25 -7.842 -0.011 1.416
155 HA HIS 25 HA HIS 25 -5.526 0.122 0.105
156 HB2 HIS 25 1HB HIS 25 -7.704 0.559 -0.953
157 HB3 HIS 25 2HB HIS 25 -7.736 2.163 -0.224
158 HD1 HIS 25 HD1 HIS 25 -7.407 0.996 -3.376
159 HD2 HIS 25 HD2 HIS 25 -4.823 3.273 -1.053
160 HE1 HIS 25 HE1 HIS 25 -5.905 2.181 -5.007
161 H ALA 26 H ALA 26 -6.860 2.882 1.912
162 HA ALA 26 HA ALA 26 -4.700 4.628 1.426
163 HB1 ALA 26 3HB ALA 26 -5.749 5.445 3.839
164 HB2 ALA 26 1HB ALA 26 -6.298 5.952 2.242
165 HB3 ALA 26 2HB ALA 26 -7.099 4.614 3.067
166 H SER 27 H SER 27 -5.432 2.497 4.175
167 HA SER 27 HA SER 27 -3.384 3.140 5.881
168 HB2 SER 27 1HB SER 27 -4.721 0.510 5.285
169 HB3 SER 27 2HB SER 27 -3.450 0.629 6.502
170 HG SER 27 HG SER 27 -5.500 2.504 6.631
171 H LEU 28 H LEU 28 -3.146 1.721 2.781
172 HA LEU 28 HA LEU 28 -0.503 0.604 3.236
173 HB2 LEU 28 1HB LEU 28 -2.057 -0.572 1.777
174 HB3 LEU 28 2HB LEU 28 -2.161 0.840 0.728
175 HG LEU 28 HG LEU 28 0.290 0.540 0.252
176 HD11 LEU 28 1HD1 LEU 28 0.385 -1.049 2.380
177 HD12 LEU 28 2HD1 LEU 28 1.491 -1.226 1.018
178 HD13 LEU 28 3HD1 LEU 28 0.080 -2.275 1.149
179 HD21 LEU 28 3HD2 LEU 28 -0.135 -0.869 -1.512
180 HD22 LEU 28 1HD2 LEU 28 -1.772 -0.378 -1.075
181 HD23 LEU 28 2HD2 LEU 28 -1.152 -1.944 -0.552
182 H THR 29 H THR 29 -1.931 3.106 1.137
183 HA THR 29 HA THR 29 0.465 4.108 0.109
184 HB THR 29 HB THR 29 -2.001 4.635 -0.559
185 HG1 THR 29 HG1 THR 29 -0.842 5.774 -1.904
186 HG21 THR 29 3HG2 THR 29 -2.648 5.634 1.584
187 HG22 THR 29 1HG2 THR 29 -2.801 6.795 0.266
188 HG23 THR 29 2HG2 THR 29 -1.428 6.888 1.370
189 H GLN 30 H GLN 30 -1.355 5.033 3.003
190 HA GLN 30 HA GLN 30 0.119 7.268 3.752
191 HB2 GLN 30 1HB GLN 30 -0.936 7.127 5.810
192 HB3 GLN 30 2HB GLN 30 -2.038 6.229 4.774
193 HG2 GLN 30 1HG GLN 30 -1.232 4.146 5.588
194 HG3 GLN 30 2HG GLN 30 0.095 4.929 6.445
195 HE21 GLN 30 1HE2 GLN 30 -0.363 6.135 8.319
196 HE22 GLN 30 2HE2 GLN 30 -1.815 5.878 9.218
197 H HIS 31 H HIS 31 0.714 3.843 4.389
198 HA HIS 31 HA HIS 31 2.991 4.305 6.053
199 HB2 HIS 31 1HB HIS 31 2.084 2.238 6.501
200 HB3 HIS 31 2HB HIS 31 1.693 1.924 4.812
201 HD1 HIS 31 HD1 HIS 31 4.618 1.865 7.198
202 HD2 HIS 31 HD2 HIS 31 3.567 0.463 3.431
203 HE1 HIS 31 HE1 HIS 31 6.469 0.303 6.521
204 H GLN 32 H GLN 32 2.574 3.259 2.680
205 HA GLN 32 HA GLN 32 5.078 2.757 1.846
206 HB2 GLN 32 1HB GLN 32 2.842 4.245 0.529
207 HB3 GLN 32 2HB GLN 32 4.394 4.127 -0.289
208 HG2 GLN 32 1HG GLN 32 4.228 1.631 0.016
209 HG3 GLN 32 2HG GLN 32 2.561 1.894 0.525
210 HE21 GLN 32 1HE2 GLN 32 3.168 0.327 -1.647
211 HE22 GLN 32 2HE2 GLN 32 2.625 1.107 -3.090
212 H ARG 33 H ARG 33 3.838 5.892 2.766
213 HA ARG 33 HA ARG 33 5.673 7.627 1.705
214 HB2 ARG 33 1HB ARG 33 4.209 7.596 4.321
215 HB3 ARG 33 2HB ARG 33 5.378 8.867 3.986
216 HG2 ARG 33 1HG ARG 33 4.130 9.521 2.006
217 HG3 ARG 33 2HG ARG 33 2.976 8.217 2.291
218 HD2 ARG 33 1HD ARG 33 1.925 10.108 3.168
219 HD3 ARG 33 2HD ARG 33 2.605 9.300 4.580
220 HE ARG 33 HE ARG 33 4.509 11.112 3.730
221 HH11 ARG 33 1HH1 ARG 33 1.224 11.205 4.879
222 HH12 ARG 33 2HH1 ARG 33 1.379 12.778 5.588
223 HH21 ARG 33 1HH2 ARG 33 4.725 13.184 4.660
224 HH22 ARG 33 2HH2 ARG 33 3.370 13.903 5.462
225 H VAL 34 H VAL 34 6.014 5.722 4.683
226 HA VAL 34 HA VAL 34 8.374 6.622 5.688
227 HB VAL 34 HB VAL 34 8.809 4.385 6.557
228 HG11 VAL 34 1HG1 VAL 34 5.933 5.267 6.548
229 HG12 VAL 34 2HG1 VAL 34 6.531 3.956 7.568
230 HG13 VAL 34 3HG1 VAL 34 7.169 5.589 7.764
231 HG21 VAL 34 3HG2 VAL 34 6.927 2.664 5.824
232 HG22 VAL 34 1HG2 VAL 34 7.006 3.601 4.333
233 HG23 VAL 34 2HG2 VAL 34 8.453 2.805 4.952
234 H HIS 35 H HIS 35 7.953 4.477 2.916
235 HA HIS 35 HA HIS 35 10.822 4.257 2.522
236 HB2 HIS 35 1HB HIS 35 8.665 3.251 0.669
237 HB3 HIS 35 2HB HIS 35 10.327 2.686 0.805
238 HD1 HIS 35 HD1 HIS 35 10.719 1.906 3.587
239 HD2 HIS 35 HD2 HIS 35 7.044 1.380 1.722
240 HE1 HIS 35 HE1 HIS 35 9.540 0.125 4.915
241 H SER 36 H SER 36 9.777 6.892 2.377
242 HA SER 36 HA SER 36 9.711 7.556 -0.460
243 HB2 SER 36 1HB SER 36 9.182 9.829 0.285
244 HB3 SER 36 2HB SER 36 8.115 8.662 1.065
245 HG SER 36 HG SER 36 9.785 10.419 2.196
246 H GLY 37 H GLY 37 11.712 8.129 2.403
247 HA2 GLY 37 1HA GLY 37 14.102 8.181 2.238
248 HA3 GLY 37 2HA GLY 37 13.939 8.793 0.599
249 H GLU 38 H GLU 38 14.551 9.605 3.791
250 HA GLU 38 HA GLU 38 13.680 12.373 3.525
251 HB2 GLU 38 1HB GLU 38 13.615 10.831 5.672
252 HB3 GLU 38 2HB GLU 38 15.269 11.398 5.857
253 HG2 GLU 38 1HG GLU 38 12.995 13.307 5.461
254 HG3 GLU 38 2HG GLU 38 13.412 12.678 7.054
255 H LYS 39 H LYS 39 15.626 11.615 1.674
256 HA LYS 39 HA LYS 39 17.653 13.574 2.243
257 HB2 LYS 39 1HB LYS 39 19.571 12.097 1.980
258 HB3 LYS 39 2HB LYS 39 18.597 11.590 3.354
259 HG2 LYS 39 1HG LYS 39 17.632 9.796 2.052
260 HG3 LYS 39 2HG LYS 39 18.508 10.335 0.617
261 HD2 LYS 39 1HD LYS 39 20.632 9.885 1.751
262 HD3 LYS 39 2HD LYS 39 19.754 9.345 3.183
263 HE2 LYS 39 1HE LYS 39 18.951 7.433 2.114
264 HE3 LYS 39 2HE LYS 39 19.269 8.085 0.507
265 HZ1 LYS 39 3HZ LYS 39 20.900 6.419 1.994
266 HZ2 LYS 39 1HZ LYS 39 21.672 7.924 1.987
267 HZ3 LYS 39 2HZ LYS 39 21.272 7.173 0.526
268 HA PRO 40 HA PRO 40 17.490 14.044 -2.121
269 HB2 PRO 40 1HB PRO 40 19.954 15.071 -2.616
270 HB3 PRO 40 2HB PRO 40 18.669 15.995 -1.829
271 HG2 PRO 40 1HG PRO 40 20.994 14.560 -0.604
272 HG3 PRO 40 2HG PRO 40 20.335 16.159 -0.214
273 HD2 PRO 40 1HD PRO 40 19.793 13.959 1.269
274 HD3 PRO 40 2HD PRO 40 18.628 15.283 1.064
275 H SER 41 H SER 41 19.441 11.768 -0.639
276 HA SER 41 HA SER 41 20.541 10.789 -3.181
277 HB2 SER 41 1HB SER 41 21.242 10.101 -0.319
278 HB3 SER 41 2HB SER 41 21.948 9.310 -1.728
279 HG SER 41 HG SER 41 23.228 11.055 -0.916
280 H GLY 42 H GLY 42 20.542 8.392 -3.469
281 HA2 GLY 42 1HA GLY 42 19.477 6.283 -2.716
282 HA3 GLY 42 2HA GLY 42 18.029 7.236 -2.427
283 HA PRO 43 HA PRO 43 18.400 5.524 -6.900
284 HB2 PRO 43 1HB PRO 43 17.041 3.187 -6.644
285 HB3 PRO 43 2HB PRO 43 18.796 3.303 -6.463
286 HG2 PRO 43 1HG PRO 43 16.676 3.206 -4.351
287 HG3 PRO 43 2HG PRO 43 18.238 2.367 -4.409
288 HD2 PRO 43 1HD PRO 43 17.842 4.610 -2.944
289 HD3 PRO 43 2HD PRO 43 19.403 4.223 -3.695
290 H SER 44 H SER 44 16.325 4.570 -8.137
291 HA SER 44 HA SER 44 13.963 6.008 -7.120
292 HB2 SER 44 1HB SER 44 15.125 7.221 -8.991
293 HB3 SER 44 2HB SER 44 14.771 5.841 -10.031
294 HG SER 44 HG SER 44 12.996 7.686 -8.858
295 H SER 45 H SER 45 11.928 5.304 -8.321
296 HA SER 45 HA SER 45 12.000 2.509 -9.166
297 HB2 SER 45 1HB SER 45 10.535 3.559 -6.759
298 HB3 SER 45 2HB SER 45 9.934 2.151 -7.635
299 HG SER 45 HG SER 45 11.359 1.629 -5.879
300 H GLY 46 H GLY 46 9.973 1.802 -10.162
301 HA2 GLY 46 1HA GLY 46 7.673 2.891 -10.738
302 HA3 GLY 46 2HA GLY 46 8.707 4.046 -11.566
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -10.912 -31.591 -6.041
2 HA2 GLY 1 1HA GLY 1 -10.807 -29.313 -4.500
3 HA3 GLY 1 2HA GLY 1 -11.104 -30.918 -3.851
4 H SER 2 H SER 2 -9.933 -30.957 -2.025
5 HA SER 2 HA SER 2 -8.164 -30.763 -0.589
6 HB2 SER 2 1HB SER 2 -7.592 -32.678 -2.285
7 HB3 SER 2 2HB SER 2 -6.361 -31.550 -2.852
8 HG SER 2 HG SER 2 -6.567 -32.896 -0.417
9 H SER 3 H SER 3 -8.827 -28.314 -1.723
10 HA SER 3 HA SER 3 -6.563 -26.970 -2.803
11 HB2 SER 3 1HB SER 3 -8.795 -26.113 -3.222
12 HB3 SER 3 2HB SER 3 -9.072 -25.895 -1.494
13 HG SER 3 HG SER 3 -6.843 -24.640 -2.590
14 H GLY 4 H GLY 4 -5.057 -25.659 -1.830
15 HA2 GLY 4 1HA GLY 4 -5.085 -24.700 0.781
16 HA3 GLY 4 2HA GLY 4 -4.327 -26.285 0.837
17 H SER 5 H SER 5 -3.679 -23.094 0.673
18 HA SER 5 HA SER 5 -1.055 -23.593 -0.549
19 HB2 SER 5 1HB SER 5 -2.865 -21.230 -1.090
20 HB3 SER 5 2HB SER 5 -1.159 -21.277 -1.532
21 HG SER 5 HG SER 5 -1.804 -23.328 -2.651
22 H SER 6 H SER 6 0.459 -21.676 -0.046
23 HA SER 6 HA SER 6 0.435 -21.332 2.821
24 HB2 SER 6 1HB SER 6 2.408 -20.682 0.642
25 HB3 SER 6 2HB SER 6 2.636 -20.082 2.284
26 HG SER 6 HG SER 6 3.209 -22.010 2.893
27 H GLY 7 H GLY 7 -1.427 -19.968 3.016
28 HA2 GLY 7 1HA GLY 7 -0.976 -17.322 3.472
29 HA3 GLY 7 2HA GLY 7 -1.444 -17.368 1.779
30 H THR 8 H THR 8 -2.517 -17.469 5.026
31 HA THR 8 HA THR 8 -5.175 -18.423 4.407
32 HB THR 8 HB THR 8 -4.203 -17.139 6.966
33 HG1 THR 8 HG1 THR 8 -4.222 -19.545 7.528
34 HG21 THR 8 3HG2 THR 8 -6.362 -19.171 6.890
35 HG22 THR 8 1HG2 THR 8 -6.753 -17.563 6.282
36 HG23 THR 8 2HG2 THR 8 -6.168 -17.763 7.934
37 H GLY 9 H GLY 9 -6.693 -17.182 3.535
38 HA2 GLY 9 1HA GLY 9 -7.795 -15.297 2.799
39 HA3 GLY 9 2HA GLY 9 -7.667 -14.812 4.484
40 H GLU 10 H GLU 10 -6.446 -14.383 1.275
41 HA GLU 10 HA GLU 10 -4.152 -12.863 1.847
42 HB2 GLU 10 1HB GLU 10 -4.371 -12.025 -0.466
43 HB3 GLU 10 2HB GLU 10 -4.539 -13.772 -0.367
44 HG2 GLU 10 1HG GLU 10 -6.928 -13.606 -0.583
45 HG3 GLU 10 2HG GLU 10 -6.844 -11.846 -0.529
46 H LYS 11 H LYS 11 -4.232 -10.464 0.723
47 HA LYS 11 HA LYS 11 -6.402 -8.979 2.038
48 HB2 LYS 11 1HB LYS 11 -4.832 -7.335 2.878
49 HB3 LYS 11 2HB LYS 11 -4.386 -8.930 3.469
50 HG2 LYS 11 1HG LYS 11 -3.108 -7.937 0.975
51 HG3 LYS 11 2HG LYS 11 -2.590 -7.263 2.522
52 HD2 LYS 11 1HD LYS 11 -2.773 -10.228 2.108
53 HD3 LYS 11 2HD LYS 11 -1.346 -9.323 1.596
54 HE2 LYS 11 1HE LYS 11 -0.944 -8.571 3.834
55 HE3 LYS 11 2HE LYS 11 -2.479 -9.238 4.388
56 HZ1 LYS 11 3HZ LYS 11 -1.453 -11.447 3.520
57 HZ2 LYS 11 1HZ LYS 11 -1.012 -10.851 5.040
58 HZ3 LYS 11 2HZ LYS 11 0.017 -10.632 3.715
59 HA PRO 12 HA PRO 12 -6.721 -6.887 -1.823
60 HB2 PRO 12 1HB PRO 12 -7.989 -4.636 -0.987
61 HB3 PRO 12 2HB PRO 12 -8.796 -6.204 -1.110
62 HG2 PRO 12 1HG PRO 12 -7.663 -4.841 1.302
63 HG3 PRO 12 2HG PRO 12 -9.195 -5.718 1.128
64 HD2 PRO 12 1HD PRO 12 -7.003 -6.828 2.265
65 HD3 PRO 12 2HD PRO 12 -8.186 -7.779 1.344
66 H TYR 13 H TYR 13 -4.901 -5.710 0.814
67 HA TYR 13 HA TYR 13 -3.373 -3.993 -0.984
68 HB2 TYR 13 1HB TYR 13 -4.123 -2.961 1.741
69 HB3 TYR 13 2HB TYR 13 -3.449 -2.073 0.379
70 HD1 TYR 13 HD2 TYR 13 -4.907 -1.638 -1.628
71 HD2 TYR 13 HD1 TYR 13 -6.458 -3.168 2.027
72 HE1 TYR 13 HE2 TYR 13 -7.171 -0.965 -2.314
73 HE2 TYR 13 HE1 TYR 13 -8.727 -2.500 1.351
74 HH TYR 13 HH TYR 13 -9.712 -0.701 -0.262
75 H GLU 14 H GLU 14 -1.275 -4.391 -0.770
76 HA GLU 14 HA GLU 14 -0.107 -4.956 1.814
77 HB2 GLU 14 1HB GLU 14 -0.811 -7.183 1.204
78 HB3 GLU 14 2HB GLU 14 -0.106 -7.014 -0.397
79 HG2 GLU 14 1HG GLU 14 2.117 -6.679 0.859
80 HG3 GLU 14 2HG GLU 14 1.265 -7.380 2.233
81 H CYS 15 H CYS 15 1.703 -3.820 1.893
82 HA CYS 15 HA CYS 15 2.841 -2.431 -0.207
83 HB2 CYS 15 1HB CYS 15 3.229 -2.175 2.323
84 HB3 CYS 15 2HB CYS 15 4.468 -3.412 2.131
85 H ASP 16 H ASP 16 5.179 -2.698 -0.951
86 HA ASP 16 HA ASP 16 5.634 -5.517 -1.684
87 HB2 ASP 16 1HB ASP 16 5.925 -2.986 -3.277
88 HB3 ASP 16 2HB ASP 16 6.853 -4.422 -3.702
89 H VAL 17 H VAL 17 7.036 -2.531 -0.560
90 HA VAL 17 HA VAL 17 9.760 -3.408 -0.728
91 HB VAL 17 HB VAL 17 8.525 -1.129 0.824
92 HG11 VAL 17 1HG1 VAL 17 11.193 -2.250 0.868
93 HG12 VAL 17 2HG1 VAL 17 11.201 -0.560 0.359
94 HG13 VAL 17 3HG1 VAL 17 10.471 -1.015 1.900
95 HG21 VAL 17 3HG2 VAL 17 10.145 -1.006 -1.710
96 HG22 VAL 17 1HG2 VAL 17 8.383 -1.085 -1.696
97 HG23 VAL 17 2HG2 VAL 17 9.211 0.284 -0.952
98 H CYS 18 H CYS 18 7.266 -3.379 1.753
99 HA CYS 18 HA CYS 18 9.092 -4.876 3.519
100 HB2 CYS 18 1HB CYS 18 7.983 -3.940 5.430
101 HB3 CYS 18 2HB CYS 18 8.420 -2.610 4.364
102 H ARG 19 H ARG 19 6.159 -4.876 1.786
103 HA ARG 19 HA ARG 19 4.564 -6.467 1.462
104 HB2 ARG 19 1HB ARG 19 6.308 -8.225 3.197
105 HB3 ARG 19 2HB ARG 19 5.021 -8.763 2.127
106 HG2 ARG 19 1HG ARG 19 7.451 -7.295 1.144
107 HG3 ARG 19 2HG ARG 19 7.371 -9.053 1.275
108 HD2 ARG 19 1HD ARG 19 5.161 -8.744 -0.099
109 HD3 ARG 19 2HD ARG 19 5.903 -7.212 -0.557
110 HE ARG 19 HE ARG 19 7.465 -8.362 -1.806
111 HH11 ARG 19 1HH1 ARG 19 5.596 -10.581 0.119
112 HH12 ARG 19 2HH1 ARG 19 6.184 -11.990 -0.699
113 HH21 ARG 19 1HH2 ARG 19 8.246 -10.210 -2.892
114 HH22 ARG 19 2HH2 ARG 19 7.692 -11.778 -2.411
115 H LYS 20 H LYS 20 4.338 -4.589 3.606
116 HA LYS 20 HA LYS 20 3.338 -5.897 5.943
117 HB2 LYS 20 1HB LYS 20 3.507 -3.102 4.949
118 HB3 LYS 20 2HB LYS 20 2.284 -3.443 6.167
119 HG2 LYS 20 1HG LYS 20 5.061 -4.394 6.640
120 HG3 LYS 20 2HG LYS 20 4.705 -2.676 6.832
121 HD2 LYS 20 1HD LYS 20 3.315 -3.026 8.625
122 HD3 LYS 20 2HD LYS 20 2.891 -4.661 8.114
123 HE2 LYS 20 1HE LYS 20 5.590 -3.846 9.183
124 HE3 LYS 20 2HE LYS 20 4.313 -4.579 10.152
125 HZ1 LYS 20 3HZ LYS 20 6.204 -5.994 8.980
126 HZ2 LYS 20 1HZ LYS 20 5.080 -5.981 7.716
127 HZ3 LYS 20 2HZ LYS 20 4.644 -6.599 9.229
128 H ALA 21 H ALA 21 1.016 -5.060 6.680
129 HA ALA 21 HA ALA 21 -0.858 -5.650 4.482
130 HB1 ALA 21 3HB ALA 21 -2.272 -6.615 6.474
131 HB2 ALA 21 1HB ALA 21 -1.035 -7.592 5.684
132 HB3 ALA 21 2HB ALA 21 -0.686 -6.803 7.223
133 H PHE 22 H PHE 22 -2.806 -4.545 4.458
134 HA PHE 22 HA PHE 22 -3.490 -2.714 6.582
135 HB2 PHE 22 1HB PHE 22 -2.955 -1.547 3.851
136 HB3 PHE 22 2HB PHE 22 -3.316 -0.684 5.342
137 HD1 PHE 22 HD2 PHE 22 -1.618 -0.454 7.087
138 HD2 PHE 22 HD1 PHE 22 -0.750 -2.324 3.363
139 HE1 PHE 22 HE2 PHE 22 0.790 -0.225 7.537
140 HE2 PHE 22 HE1 PHE 22 1.660 -2.099 3.807
141 HZ PHE 22 HZ PHE 22 2.433 -1.047 5.896
142 H SER 23 H SER 23 -5.586 -3.095 6.806
143 HA SER 23 HA SER 23 -7.252 -4.281 4.916
144 HB2 SER 23 1HB SER 23 -9.085 -3.740 6.388
145 HB3 SER 23 2HB SER 23 -7.686 -4.140 7.384
146 HG SER 23 HG SER 23 -7.317 -1.787 7.427
147 H HIS 24 H HIS 24 -6.762 -0.863 5.687
148 HA HIS 24 HA HIS 24 -8.460 -0.138 3.400
149 HB2 HIS 24 1HB HIS 24 -8.999 0.851 5.639
150 HB3 HIS 24 2HB HIS 24 -7.439 1.667 5.601
151 HD1 HIS 24 HD1 HIS 24 -8.704 3.956 5.669
152 HD2 HIS 24 HD2 HIS 24 -9.442 1.658 2.287
153 HE1 HIS 24 HE1 HIS 24 -9.796 5.513 4.024
154 H HIS 25 H HIS 25 -7.569 0.637 1.602
155 HA HIS 25 HA HIS 25 -4.943 0.556 0.939
156 HB2 HIS 25 1HB HIS 25 -7.094 1.197 -0.455
157 HB3 HIS 25 2HB HIS 25 -6.529 2.839 -0.160
158 HD1 HIS 25 HD1 HIS 25 -3.470 2.271 -0.454
159 HD2 HIS 25 HD2 HIS 25 -6.409 0.996 -3.100
160 HE1 HIS 25 HE1 HIS 25 -2.290 1.906 -2.644
161 H ALA 26 H ALA 26 -6.603 3.555 1.934
162 HA ALA 26 HA ALA 26 -4.704 5.407 1.960
163 HB1 ALA 26 3HB ALA 26 -6.964 5.685 2.935
164 HB2 ALA 26 1HB ALA 26 -6.396 4.882 4.399
165 HB3 ALA 26 2HB ALA 26 -5.690 6.422 3.908
166 H SER 27 H SER 27 -5.045 3.182 4.733
167 HA SER 27 HA SER 27 -2.883 3.880 6.218
168 HB2 SER 27 1HB SER 27 -4.039 1.152 5.661
169 HB3 SER 27 2HB SER 27 -2.716 1.382 6.805
170 HG SER 27 HG SER 27 -5.147 2.827 6.952
171 H LEU 28 H LEU 28 -2.858 1.761 3.379
172 HA LEU 28 HA LEU 28 -0.032 1.295 3.512
173 HB2 LEU 28 1HB LEU 28 -1.194 -0.431 2.490
174 HB3 LEU 28 2HB LEU 28 -2.201 0.671 1.552
175 HG LEU 28 HG LEU 28 -0.135 1.221 0.208
176 HD11 LEU 28 1HD1 LEU 28 1.296 0.098 2.116
177 HD12 LEU 28 2HD1 LEU 28 1.816 0.061 0.431
178 HD13 LEU 28 3HD1 LEU 28 1.029 -1.348 1.142
179 HD21 LEU 28 3HD2 LEU 28 -1.570 -1.382 0.228
180 HD22 LEU 28 1HD2 LEU 28 -0.190 -1.196 -0.855
181 HD23 LEU 28 2HD2 LEU 28 -1.566 -0.099 -0.984
182 H THR 29 H THR 29 -2.163 3.355 1.577
183 HA THR 29 HA THR 29 -0.317 4.384 -0.218
184 HB THR 29 HB THR 29 -2.763 5.640 1.017
185 HG1 THR 29 HG1 THR 29 -2.428 4.988 -1.700
186 HG21 THR 29 3HG2 THR 29 -2.102 6.978 -1.373
187 HG22 THR 29 1HG2 THR 29 -0.643 6.966 -0.385
188 HG23 THR 29 2HG2 THR 29 -2.139 7.640 0.261
189 H GLN 30 H GLN 30 -1.182 5.605 3.008
190 HA GLN 30 HA GLN 30 0.719 7.739 2.917
191 HB2 GLN 30 1HB GLN 30 -1.199 8.045 4.300
192 HB3 GLN 30 2HB GLN 30 -0.909 6.533 5.150
193 HG2 GLN 30 1HG GLN 30 1.064 7.451 6.192
194 HG3 GLN 30 2HG GLN 30 0.886 8.944 5.273
195 HE21 GLN 30 1HE2 GLN 30 -0.143 10.549 6.225
196 HE22 GLN 30 2HE2 GLN 30 -1.199 10.413 7.586
197 H HIS 31 H HIS 31 0.674 4.479 4.244
198 HA HIS 31 HA HIS 31 3.007 4.612 5.785
199 HB2 HIS 31 1HB HIS 31 1.841 2.678 6.210
200 HB3 HIS 31 2HB HIS 31 1.435 2.423 4.515
201 HD1 HIS 31 HD1 HIS 31 3.998 1.629 7.081
202 HD2 HIS 31 HD2 HIS 31 3.410 1.067 3.007
203 HE1 HIS 31 HE1 HIS 31 5.707 -0.080 6.385
204 H GLN 32 H GLN 32 2.553 3.663 2.392
205 HA GLN 32 HA GLN 32 4.967 2.805 1.606
206 HB2 GLN 32 1HB GLN 32 3.084 4.717 0.263
207 HB3 GLN 32 2HB GLN 32 4.594 4.265 -0.516
208 HG2 GLN 32 1HG GLN 32 2.630 2.221 0.463
209 HG3 GLN 32 2HG GLN 32 2.517 2.948 -1.139
210 HE21 GLN 32 1HE2 GLN 32 3.393 1.779 -2.674
211 HE22 GLN 32 2HE2 GLN 32 4.743 0.714 -2.509
212 H ARG 33 H ARG 33 4.216 6.073 2.595
213 HA ARG 33 HA ARG 33 6.366 7.496 1.638
214 HB2 ARG 33 1HB ARG 33 4.949 7.710 4.295
215 HB3 ARG 33 2HB ARG 33 6.133 8.883 3.737
216 HG2 ARG 33 1HG ARG 33 4.754 9.514 1.898
217 HG3 ARG 33 2HG ARG 33 3.633 8.189 2.218
218 HD2 ARG 33 1HD ARG 33 2.589 10.104 3.094
219 HD3 ARG 33 2HD ARG 33 3.257 9.261 4.491
220 HE ARG 33 HE ARG 33 5.163 11.097 3.636
221 HH11 ARG 33 1HH1 ARG 33 1.940 11.104 4.951
222 HH12 ARG 33 2HH1 ARG 33 2.122 12.639 5.734
223 HH21 ARG 33 1HH2 ARG 33 5.416 13.118 4.662
224 HH22 ARG 33 2HH2 ARG 33 4.099 13.784 5.568
225 H VAL 34 H VAL 34 6.212 5.615 4.654
226 HA VAL 34 HA VAL 34 8.610 6.079 5.799
227 HB VAL 34 HB VAL 34 8.669 3.678 6.501
228 HG11 VAL 34 1HG1 VAL 34 6.155 5.299 6.749
229 HG12 VAL 34 2HG1 VAL 34 6.360 3.765 7.597
230 HG13 VAL 34 3HG1 VAL 34 7.464 5.104 7.915
231 HG21 VAL 34 3HG2 VAL 34 6.968 3.412 4.203
232 HG22 VAL 34 1HG2 VAL 34 7.715 2.157 5.191
233 HG23 VAL 34 2HG2 VAL 34 6.142 2.815 5.642
234 H HIS 35 H HIS 35 8.080 4.503 2.757
235 HA HIS 35 HA HIS 35 10.896 3.701 2.595
236 HB2 HIS 35 1HB HIS 35 8.697 3.101 0.613
237 HB3 HIS 35 2HB HIS 35 10.279 2.334 0.722
238 HD1 HIS 35 HD1 HIS 35 10.336 1.665 3.718
239 HD2 HIS 35 HD2 HIS 35 7.050 1.034 1.255
240 HE1 HIS 35 HE1 HIS 35 8.985 -0.131 4.846
241 H SER 36 H SER 36 11.711 5.842 2.362
242 HA SER 36 HA SER 36 11.149 7.053 -0.266
243 HB2 SER 36 1HB SER 36 10.484 8.499 1.613
244 HB3 SER 36 2HB SER 36 12.124 8.416 2.257
245 HG SER 36 HG SER 36 11.290 10.215 0.666
246 H GLY 37 H GLY 37 12.756 7.039 -1.691
247 HA2 GLY 37 1HA GLY 37 15.508 6.688 -0.669
248 HA3 GLY 37 2HA GLY 37 14.923 5.907 -2.130
249 H GLU 38 H GLU 38 16.350 8.703 -0.793
250 HA GLU 38 HA GLU 38 16.515 9.881 -3.471
251 HB2 GLU 38 1HB GLU 38 15.713 11.350 -0.957
252 HB3 GLU 38 2HB GLU 38 16.225 12.155 -2.434
253 HG2 GLU 38 1HG GLU 38 14.327 10.676 -3.499
254 HG3 GLU 38 2HG GLU 38 13.714 10.684 -1.846
255 H LYS 39 H LYS 39 18.374 11.121 -3.856
256 HA LYS 39 HA LYS 39 20.295 11.750 -1.881
257 HB2 LYS 39 1HB LYS 39 22.057 10.133 -2.590
258 HB3 LYS 39 2HB LYS 39 20.703 9.383 -1.753
259 HG2 LYS 39 1HG LYS 39 20.974 7.919 -3.476
260 HG3 LYS 39 2HG LYS 39 19.809 9.031 -4.200
261 HD2 LYS 39 1HD LYS 39 21.376 9.978 -5.593
262 HD3 LYS 39 2HD LYS 39 22.723 9.576 -4.525
263 HE2 LYS 39 1HE LYS 39 21.200 7.346 -5.767
264 HE3 LYS 39 2HE LYS 39 22.293 8.274 -6.792
265 HZ1 LYS 39 3HZ LYS 39 22.925 6.599 -4.453
266 HZ2 LYS 39 1HZ LYS 39 23.969 7.853 -4.902
267 HZ3 LYS 39 2HZ LYS 39 23.636 6.600 -5.988
268 HA PRO 40 HA PRO 40 21.712 14.309 -5.157
269 HB2 PRO 40 1HB PRO 40 24.274 14.757 -4.380
270 HB3 PRO 40 2HB PRO 40 22.883 15.482 -3.566
271 HG2 PRO 40 1HG PRO 40 24.490 13.079 -2.790
272 HG3 PRO 40 2HG PRO 40 23.882 14.396 -1.769
273 HD2 PRO 40 1HD PRO 40 22.660 11.984 -1.918
274 HD3 PRO 40 2HD PRO 40 21.765 13.494 -1.650
275 H SER 41 H SER 41 23.895 14.572 -6.519
276 HA SER 41 HA SER 41 24.031 12.451 -8.283
277 HB2 SER 41 1HB SER 41 26.165 14.522 -7.713
278 HB3 SER 41 2HB SER 41 26.098 13.501 -9.149
279 HG SER 41 HG SER 41 25.173 15.640 -9.398
280 H GLY 42 H GLY 42 26.156 13.176 -5.537
281 HA2 GLY 42 1HA GLY 42 26.796 10.386 -5.235
282 HA3 GLY 42 2HA GLY 42 28.148 11.341 -5.824
283 HA PRO 43 HA PRO 43 26.993 12.820 -1.331
284 HB2 PRO 43 1HB PRO 43 25.700 10.950 0.154
285 HB3 PRO 43 2HB PRO 43 24.853 12.177 -0.796
286 HG2 PRO 43 1HG PRO 43 25.406 9.312 -1.465
287 HG3 PRO 43 2HG PRO 43 23.918 10.249 -1.699
288 HD2 PRO 43 1HD PRO 43 25.663 9.759 -3.710
289 HD3 PRO 43 2HD PRO 43 24.702 11.249 -3.622
290 H SER 44 H SER 44 28.610 12.656 0.113
291 HA SER 44 HA SER 44 29.591 10.250 1.199
292 HB2 SER 44 1HB SER 44 30.457 10.328 -1.299
293 HB3 SER 44 2HB SER 44 31.658 11.424 -0.616
294 HG SER 44 HG SER 44 32.247 9.150 -0.613
295 H SER 45 H SER 45 30.028 10.986 3.163
296 HA SER 45 HA SER 45 30.605 12.428 4.853
297 HB2 SER 45 1HB SER 45 32.996 13.059 4.792
298 HB3 SER 45 2HB SER 45 32.749 11.378 4.319
299 HG SER 45 HG SER 45 33.510 13.579 2.767
300 H GLY 46 H GLY 46 28.940 13.723 3.058
301 HA2 GLY 46 1HA GLY 46 30.159 16.399 2.799
302 HA3 GLY 46 2HA GLY 46 28.815 15.815 1.828
Start of MODEL 14
1 H1 GLY 1 H GLY 1 3.439 -27.811 -2.431
2 HA2 GLY 1 1HA GLY 1 4.395 -27.551 -0.255
3 HA3 GLY 1 2HA GLY 1 5.610 -26.490 -0.953
4 H SER 2 H SER 2 2.255 -26.737 0.056
5 HA SER 2 HA SER 2 1.343 -24.196 -0.544
6 HB2 SER 2 1HB SER 2 -0.199 -25.825 0.298
7 HB3 SER 2 2HB SER 2 0.705 -25.992 1.803
8 HG SER 2 HG SER 2 -0.222 -23.450 1.146
9 H SER 3 H SER 3 3.073 -25.284 2.361
10 HA SER 3 HA SER 3 4.007 -24.117 4.095
11 HB2 SER 3 1HB SER 3 5.650 -23.789 2.266
12 HB3 SER 3 2HB SER 3 4.830 -22.293 1.822
13 HG SER 3 HG SER 3 6.409 -22.868 4.060
14 H GLY 4 H GLY 4 1.306 -23.526 3.859
15 HA2 GLY 4 1HA GLY 4 0.761 -21.531 5.521
16 HA3 GLY 4 2HA GLY 4 1.039 -20.627 4.040
17 H SER 5 H SER 5 -0.660 -23.664 4.818
18 HA SER 5 HA SER 5 -2.824 -22.898 3.042
19 HB2 SER 5 1HB SER 5 -2.037 -25.206 2.969
20 HB3 SER 5 2HB SER 5 -2.389 -25.404 4.686
21 HG SER 5 HG SER 5 -4.176 -25.139 2.524
22 H SER 6 H SER 6 -2.358 -23.606 6.484
23 HA SER 6 HA SER 6 -5.096 -22.873 7.097
24 HB2 SER 6 1HB SER 6 -4.467 -23.410 9.431
25 HB3 SER 6 2HB SER 6 -4.085 -24.728 8.323
26 HG SER 6 HG SER 6 -2.450 -23.532 9.979
27 H GLY 7 H GLY 7 -5.757 -21.057 8.196
28 HA2 GLY 7 1HA GLY 7 -5.042 -19.161 9.649
29 HA3 GLY 7 2HA GLY 7 -3.704 -18.957 8.529
30 H THR 8 H THR 8 -5.787 -17.056 9.321
31 HA THR 8 HA THR 8 -6.912 -16.528 6.648
32 HB THR 8 HB THR 8 -8.223 -15.753 9.259
33 HG1 THR 8 HG1 THR 8 -9.339 -17.581 9.149
34 HG21 THR 8 3HG2 THR 8 -9.305 -15.765 6.440
35 HG22 THR 8 1HG2 THR 8 -8.722 -14.331 7.284
36 HG23 THR 8 2HG2 THR 8 -10.134 -15.197 7.889
37 H GLY 9 H GLY 9 -5.920 -14.830 5.782
38 HA2 GLY 9 1HA GLY 9 -5.940 -12.269 6.890
39 HA3 GLY 9 2HA GLY 9 -4.372 -12.976 7.248
40 H GLU 10 H GLU 10 -6.559 -12.020 4.661
41 HA GLU 10 HA GLU 10 -4.254 -11.438 2.981
42 HB2 GLU 10 1HB GLU 10 -4.889 -13.743 2.381
43 HB3 GLU 10 2HB GLU 10 -6.524 -13.197 2.035
44 HG2 GLU 10 1HG GLU 10 -5.682 -11.785 0.236
45 HG3 GLU 10 2HG GLU 10 -4.037 -12.312 0.588
46 H LYS 11 H LYS 11 -4.507 -9.425 2.307
47 HA LYS 11 HA LYS 11 -7.230 -8.466 1.713
48 HB2 LYS 11 1HB LYS 11 -4.985 -7.178 3.205
49 HB3 LYS 11 2HB LYS 11 -6.067 -6.157 2.267
50 HG2 LYS 11 1HG LYS 11 -6.965 -6.154 4.420
51 HG3 LYS 11 2HG LYS 11 -7.966 -7.300 3.525
52 HD2 LYS 11 1HD LYS 11 -7.535 -8.411 5.525
53 HD3 LYS 11 2HD LYS 11 -6.335 -9.086 4.421
54 HE2 LYS 11 1HE LYS 11 -5.234 -8.600 6.481
55 HE3 LYS 11 2HE LYS 11 -4.704 -7.406 5.297
56 HZ1 LYS 11 3HZ LYS 11 -6.760 -6.989 7.400
57 HZ2 LYS 11 1HZ LYS 11 -6.318 -5.846 6.233
58 HZ3 LYS 11 2HZ LYS 11 -5.194 -6.349 7.392
59 HA PRO 12 HA PRO 12 -5.888 -7.347 -2.312
60 HB2 PRO 12 1HB PRO 12 -7.291 -5.065 -2.752
61 HB3 PRO 12 2HB PRO 12 -8.043 -6.664 -2.725
62 HG2 PRO 12 1HG PRO 12 -7.936 -4.585 -0.574
63 HG3 PRO 12 2HG PRO 12 -9.299 -5.599 -1.083
64 HD2 PRO 12 1HD PRO 12 -7.808 -6.156 1.107
65 HD3 PRO 12 2HD PRO 12 -8.551 -7.423 0.111
66 H TYR 13 H TYR 13 -4.910 -5.681 0.360
67 HA TYR 13 HA TYR 13 -3.245 -3.852 -1.244
68 HB2 TYR 13 1HB TYR 13 -4.225 -3.380 1.579
69 HB3 TYR 13 2HB TYR 13 -3.262 -2.273 0.607
70 HD1 TYR 13 HD2 TYR 13 -4.278 -1.100 -1.308
71 HD2 TYR 13 HD1 TYR 13 -6.595 -3.581 1.258
72 HE1 TYR 13 HE2 TYR 13 -6.335 -0.077 -2.186
73 HE2 TYR 13 HE1 TYR 13 -8.658 -2.565 0.386
74 HH TYR 13 HH TYR 13 -9.095 -1.206 -2.186
75 H GLU 14 H GLU 14 -1.089 -3.895 -0.905
76 HA GLU 14 HA GLU 14 0.097 -4.944 1.476
77 HB2 GLU 14 1HB GLU 14 -0.624 -7.006 0.172
78 HB3 GLU 14 2HB GLU 14 0.571 -6.547 -1.034
79 HG2 GLU 14 1HG GLU 14 2.276 -6.588 0.830
80 HG3 GLU 14 2HG GLU 14 1.036 -7.359 1.818
81 H CYS 15 H CYS 15 2.226 -4.362 1.674
82 HA CYS 15 HA CYS 15 3.193 -2.428 -0.240
83 HB2 CYS 15 1HB CYS 15 3.363 -2.303 2.337
84 HB3 CYS 15 2HB CYS 15 4.725 -3.404 2.158
85 H ASP 16 H ASP 16 4.535 -2.832 -1.862
86 HA ASP 16 HA ASP 16 5.672 -5.471 -2.175
87 HB2 ASP 16 1HB ASP 16 4.625 -4.053 -4.035
88 HB3 ASP 16 2HB ASP 16 6.117 -3.117 -4.004
89 H VAL 17 H VAL 17 6.635 -3.407 -0.133
90 HA VAL 17 HA VAL 17 9.483 -3.477 -0.893
91 HB VAL 17 HB VAL 17 8.089 -1.474 0.889
92 HG11 VAL 17 1HG1 VAL 17 10.335 -1.944 1.687
93 HG12 VAL 17 2HG1 VAL 17 10.986 -1.676 0.068
94 HG13 VAL 17 3HG1 VAL 17 10.265 -0.338 0.963
95 HG21 VAL 17 3HG2 VAL 17 8.046 -0.016 -0.839
96 HG22 VAL 17 1HG2 VAL 17 9.545 -0.630 -1.535
97 HG23 VAL 17 2HG2 VAL 17 8.031 -1.494 -1.800
98 H CYS 18 H CYS 18 7.273 -3.506 1.898
99 HA CYS 18 HA CYS 18 9.257 -5.140 3.340
100 HB2 CYS 18 1HB CYS 18 8.139 -4.327 5.420
101 HB3 CYS 18 2HB CYS 18 8.910 -3.049 4.486
102 H ARG 19 H ARG 19 6.389 -5.306 1.716
103 HA ARG 19 HA ARG 19 4.752 -6.876 1.544
104 HB2 ARG 19 1HB ARG 19 6.747 -8.417 3.200
105 HB3 ARG 19 2HB ARG 19 5.239 -9.122 2.635
106 HG2 ARG 19 1HG ARG 19 6.726 -9.802 1.019
107 HG3 ARG 19 2HG ARG 19 6.047 -8.341 0.297
108 HD2 ARG 19 1HD ARG 19 8.320 -8.059 -0.041
109 HD3 ARG 19 2HD ARG 19 8.036 -7.145 1.440
110 HE ARG 19 HE ARG 19 9.364 -8.628 2.564
111 HH11 ARG 19 1HH1 ARG 19 8.432 -10.025 -0.485
112 HH12 ARG 19 2HH1 ARG 19 9.478 -11.397 -0.326
113 HH21 ARG 19 1HH2 ARG 19 10.747 -10.429 2.786
114 HH22 ARG 19 2HH2 ARG 19 10.794 -11.626 1.536
115 H LYS 20 H LYS 20 4.033 -4.961 3.194
116 HA LYS 20 HA LYS 20 3.106 -6.201 5.686
117 HB2 LYS 20 1HB LYS 20 4.317 -3.897 5.537
118 HB3 LYS 20 2HB LYS 20 2.751 -3.300 5.006
119 HG2 LYS 20 1HG LYS 20 1.764 -3.665 7.049
120 HG3 LYS 20 2HG LYS 20 2.926 -4.912 7.507
121 HD2 LYS 20 1HD LYS 20 4.630 -2.917 7.400
122 HD3 LYS 20 2HD LYS 20 3.177 -1.940 7.623
123 HE2 LYS 20 1HE LYS 20 4.213 -2.430 9.765
124 HE3 LYS 20 2HE LYS 20 2.640 -3.217 9.646
125 HZ1 LYS 20 3HZ LYS 20 4.825 -4.853 8.734
126 HZ2 LYS 20 1HZ LYS 20 3.560 -5.229 9.793
127 HZ3 LYS 20 2HZ LYS 20 4.937 -4.436 10.370
128 H ALA 21 H ALA 21 0.977 -6.482 6.146
129 HA ALA 21 HA ALA 21 -0.902 -5.996 3.943
130 HB1 ALA 21 3HB ALA 21 -0.423 -8.262 5.456
131 HB2 ALA 21 1HB ALA 21 -1.926 -7.618 6.117
132 HB3 ALA 21 2HB ALA 21 -1.804 -7.982 4.395
133 H PHE 22 H PHE 22 -2.775 -4.854 4.219
134 HA PHE 22 HA PHE 22 -3.339 -3.746 6.875
135 HB2 PHE 22 1HB PHE 22 -3.354 -2.050 4.376
136 HB3 PHE 22 2HB PHE 22 -3.567 -1.511 6.038
137 HD1 PHE 22 HD1 PHE 22 -1.117 -2.945 3.667
138 HD2 PHE 22 HD2 PHE 22 -1.725 -0.929 7.366
139 HE1 PHE 22 HE1 PHE 22 1.303 -2.530 3.834
140 HE2 PHE 22 HE2 PHE 22 0.693 -0.510 7.538
141 HZ PHE 22 HZ PHE 22 2.211 -1.309 5.771
142 H SER 23 H SER 23 -5.488 -2.338 6.602
143 HA SER 23 HA SER 23 -7.443 -4.207 5.504
144 HB2 SER 23 1HB SER 23 -7.819 -1.794 7.295
145 HB3 SER 23 2HB SER 23 -9.090 -2.920 6.819
146 HG SER 23 HG SER 23 -8.178 -4.485 8.034
147 H HIS 24 H HIS 24 -7.013 -0.664 5.568
148 HA HIS 24 HA HIS 24 -8.508 -0.502 3.047
149 HB2 HIS 24 1HB HIS 24 -8.980 0.912 5.233
150 HB3 HIS 24 2HB HIS 24 -7.694 1.927 4.587
151 HD1 HIS 24 HD1 HIS 24 -9.320 3.869 4.117
152 HD2 HIS 24 HD2 HIS 24 -10.263 0.355 2.111
153 HE1 HIS 24 HE1 HIS 24 -11.039 4.516 2.399
154 H HIS 25 H HIS 25 -7.715 1.497 1.686
155 HA HIS 25 HA HIS 25 -5.048 0.848 0.843
156 HB2 HIS 25 1HB HIS 25 -5.439 2.361 -0.986
157 HB3 HIS 25 2HB HIS 25 -6.907 1.422 -0.733
158 HD1 HIS 25 HD1 HIS 25 -5.843 4.770 -1.305
159 HD2 HIS 25 HD2 HIS 25 -8.820 3.003 0.993
160 HE1 HIS 25 HE1 HIS 25 -7.501 6.600 -0.829
161 H ALA 26 H ALA 26 -6.610 3.825 2.029
162 HA ALA 26 HA ALA 26 -4.608 5.611 2.080
163 HB1 ALA 26 3HB ALA 26 -6.083 5.334 4.645
164 HB2 ALA 26 1HB ALA 26 -5.763 6.770 3.671
165 HB3 ALA 26 2HB ALA 26 -7.011 5.626 3.174
166 H SER 27 H SER 27 -4.943 2.897 4.316
167 HA SER 27 HA SER 27 -2.855 3.565 6.063
168 HB2 SER 27 1HB SER 27 -2.914 1.239 6.768
169 HB3 SER 27 2HB SER 27 -4.562 1.809 6.505
170 HG SER 27 HG SER 27 -4.638 0.036 5.343
171 H LEU 28 H LEU 28 -2.852 1.440 3.208
172 HA LEU 28 HA LEU 28 -0.071 0.894 3.315
173 HB2 LEU 28 1HB LEU 28 -1.402 -0.652 2.152
174 HB3 LEU 28 2HB LEU 28 -2.165 0.608 1.185
175 HG LEU 28 HG LEU 28 -0.052 0.929 -0.033
176 HD11 LEU 28 1HD1 LEU 28 1.430 0.182 1.814
177 HD12 LEU 28 2HD1 LEU 28 1.804 -0.558 0.258
178 HD13 LEU 28 3HD1 LEU 28 0.935 -1.479 1.486
179 HD21 LEU 28 3HD2 LEU 28 -0.061 -1.287 -1.198
180 HD22 LEU 28 1HD2 LEU 28 -1.649 -0.539 -1.022
181 HD23 LEU 28 2HD2 LEU 28 -1.177 -1.865 0.041
182 H THR 29 H THR 29 -2.016 3.204 1.462
183 HA THR 29 HA THR 29 0.041 4.256 -0.121
184 HB THR 29 HB THR 29 -2.583 5.377 0.819
185 HG1 THR 29 HG1 THR 29 -2.822 5.322 -1.578
186 HG21 THR 29 3HG2 THR 29 -1.766 7.081 -1.176
187 HG22 THR 29 1HG2 THR 29 -0.297 6.870 -0.223
188 HG23 THR 29 2HG2 THR 29 -1.773 7.452 0.548
189 H GLN 30 H GLN 30 -1.277 5.452 2.967
190 HA GLN 30 HA GLN 30 0.553 7.586 3.230
191 HB2 GLN 30 1HB GLN 30 -1.341 6.177 5.055
192 HB3 GLN 30 2HB GLN 30 -0.125 7.230 5.766
193 HG2 GLN 30 1HG GLN 30 -2.288 7.968 3.818
194 HG3 GLN 30 2HG GLN 30 -2.095 8.510 5.484
195 HE21 GLN 30 1HE2 GLN 30 -0.286 9.891 5.970
196 HE22 GLN 30 2HE2 GLN 30 0.345 10.938 4.749
197 H HIS 31 H HIS 31 0.680 4.209 4.132
198 HA HIS 31 HA HIS 31 2.857 4.335 5.912
199 HB2 HIS 31 1HB HIS 31 1.783 2.302 6.036
200 HB3 HIS 31 2HB HIS 31 1.563 2.190 4.292
201 HD1 HIS 31 HD1 HIS 31 4.016 1.443 7.012
202 HD2 HIS 31 HD2 HIS 31 3.675 0.997 2.895
203 HE1 HIS 31 HE1 HIS 31 5.884 -0.103 6.346
204 H GLN 32 H GLN 32 2.790 3.446 2.458
205 HA GLN 32 HA GLN 32 5.369 2.979 1.891
206 HB2 GLN 32 1HB GLN 32 3.452 4.698 0.317
207 HB3 GLN 32 2HB GLN 32 5.003 4.159 -0.312
208 HG2 GLN 32 1HG GLN 32 4.180 1.795 0.234
209 HG3 GLN 32 2HG GLN 32 2.584 2.531 0.364
210 HE21 GLN 32 1HE2 GLN 32 1.899 1.258 -1.400
211 HE22 GLN 32 2HE2 GLN 32 2.321 1.677 -3.021
212 H ARG 33 H ARG 33 4.014 6.108 2.696
213 HA ARG 33 HA ARG 33 5.862 7.913 1.911
214 HB2 ARG 33 1HB ARG 33 4.693 7.778 4.697
215 HB3 ARG 33 2HB ARG 33 5.366 9.209 3.928
216 HG2 ARG 33 1HG ARG 33 3.136 7.789 2.571
217 HG3 ARG 33 2HG ARG 33 2.778 8.775 3.990
218 HD2 ARG 33 1HD ARG 33 3.335 10.728 2.944
219 HD3 ARG 33 2HD ARG 33 4.503 9.950 1.878
220 HE ARG 33 HE ARG 33 1.931 9.060 1.204
221 HH11 ARG 33 1HH1 ARG 33 3.874 11.947 1.091
222 HH12 ARG 33 2HH1 ARG 33 3.064 12.593 -0.298
223 HH21 ARG 33 1HH2 ARG 33 0.858 9.901 -0.625
224 HH22 ARG 33 2HH2 ARG 33 1.349 11.429 -1.272
225 H VAL 34 H VAL 34 6.184 5.751 4.705
226 HA VAL 34 HA VAL 34 8.541 6.662 5.792
227 HB VAL 34 HB VAL 34 8.917 4.435 6.666
228 HG11 VAL 34 1HG1 VAL 34 6.116 5.468 6.587
229 HG12 VAL 34 2HG1 VAL 34 6.471 3.959 7.431
230 HG13 VAL 34 3HG1 VAL 34 7.270 5.453 7.920
231 HG21 VAL 34 3HG2 VAL 34 6.907 3.571 4.593
232 HG22 VAL 34 1HG2 VAL 34 8.598 3.086 4.719
233 HG23 VAL 34 2HG2 VAL 34 7.435 2.557 5.936
234 H HIS 35 H HIS 35 8.141 4.376 3.104
235 HA HIS 35 HA HIS 35 10.961 4.070 2.698
236 HB2 HIS 35 1HB HIS 35 8.747 3.399 0.756
237 HB3 HIS 35 2HB HIS 35 10.374 2.726 0.796
238 HD1 HIS 35 HD1 HIS 35 10.746 1.707 3.526
239 HD2 HIS 35 HD2 HIS 35 7.060 1.488 1.622
240 HE1 HIS 35 HE1 HIS 35 9.492 -0.131 4.698
241 H SER 36 H SER 36 11.882 4.494 0.445
242 HA SER 36 HA SER 36 10.907 7.040 -0.647
243 HB2 SER 36 1HB SER 36 12.779 7.481 0.941
244 HB3 SER 36 2HB SER 36 13.817 6.458 -0.051
245 HG SER 36 HG SER 36 14.075 8.630 -0.624
246 H GLY 37 H GLY 37 11.012 7.218 -2.828
247 HA2 GLY 37 1HA GLY 37 11.434 4.869 -4.367
248 HA3 GLY 37 2HA GLY 37 11.127 6.479 -5.002
249 H GLU 38 H GLU 38 13.294 7.885 -4.065
250 HA GLU 38 HA GLU 38 15.532 6.521 -5.413
251 HB2 GLU 38 1HB GLU 38 14.775 9.441 -5.344
252 HB3 GLU 38 2HB GLU 38 16.342 8.873 -5.903
253 HG2 GLU 38 1HG GLU 38 13.903 7.686 -7.112
254 HG3 GLU 38 2HG GLU 38 14.356 9.327 -7.568
255 H LYS 39 H LYS 39 17.513 6.494 -4.456
256 HA LYS 39 HA LYS 39 17.703 7.718 -1.781
257 HB2 LYS 39 1HB LYS 39 17.647 5.395 -1.406
258 HB3 LYS 39 2HB LYS 39 18.664 5.057 -2.801
259 HG2 LYS 39 1HG LYS 39 20.582 6.021 -1.656
260 HG3 LYS 39 2HG LYS 39 19.567 6.404 -0.263
261 HD2 LYS 39 1HD LYS 39 19.384 4.200 0.380
262 HD3 LYS 39 2HD LYS 39 19.674 3.591 -1.251
263 HE2 LYS 39 1HE LYS 39 21.789 4.977 0.381
264 HE3 LYS 39 2HE LYS 39 21.533 3.233 0.430
265 HZ1 LYS 39 3HZ LYS 39 22.174 4.798 -2.011
266 HZ2 LYS 39 1HZ LYS 39 21.978 3.120 -1.929
267 HZ3 LYS 39 2HZ LYS 39 23.276 3.860 -1.136
268 HA PRO 40 HA PRO 40 21.134 9.974 -3.414
269 HB2 PRO 40 1HB PRO 40 22.155 10.835 -1.050
270 HB3 PRO 40 2HB PRO 40 20.693 11.518 -1.771
271 HG2 PRO 40 1HG PRO 40 20.957 9.476 0.402
272 HG3 PRO 40 2HG PRO 40 19.857 10.862 0.298
273 HD2 PRO 40 1HD PRO 40 19.073 8.334 -0.274
274 HD3 PRO 40 2HD PRO 40 18.390 9.754 -1.092
275 H SER 41 H SER 41 22.210 8.025 -4.179
276 HA SER 41 HA SER 41 23.887 6.480 -2.481
277 HB2 SER 41 1HB SER 41 24.044 6.806 -5.487
278 HB3 SER 41 2HB SER 41 24.753 5.500 -4.537
279 HG SER 41 HG SER 41 21.991 6.014 -4.394
280 H GLY 42 H GLY 42 25.203 7.897 -1.323
281 HA2 GLY 42 1HA GLY 42 27.476 8.927 -2.870
282 HA3 GLY 42 2HA GLY 42 26.628 10.029 -1.794
283 HA PRO 43 HA PRO 43 30.073 7.676 0.430
284 HB2 PRO 43 1HB PRO 43 31.686 9.808 0.899
285 HB3 PRO 43 2HB PRO 43 31.813 8.809 -0.554
286 HG2 PRO 43 1HG PRO 43 30.467 11.458 -0.188
287 HG3 PRO 43 2HG PRO 43 31.488 10.897 -1.525
288 HD2 PRO 43 1HD PRO 43 28.785 10.946 -1.678
289 HD3 PRO 43 2HD PRO 43 29.767 9.727 -2.515
290 H SER 44 H SER 44 28.559 10.823 0.956
291 HA SER 44 HA SER 44 28.950 10.734 3.810
292 HB2 SER 44 1HB SER 44 27.909 12.854 3.875
293 HB3 SER 44 2HB SER 44 28.795 12.844 2.350
294 HG SER 44 HG SER 44 26.076 12.890 2.821
295 H SER 45 H SER 45 27.730 8.415 3.115
296 HA SER 45 HA SER 45 25.098 8.724 4.368
297 HB2 SER 45 1HB SER 45 23.977 7.378 2.782
298 HB3 SER 45 2HB SER 45 24.944 8.492 1.815
299 HG SER 45 HG SER 45 25.682 6.732 0.939
300 H GLY 46 H GLY 46 24.881 7.404 6.050
301 HA2 GLY 46 1HA GLY 46 26.481 4.921 6.086
302 HA3 GLY 46 2HA GLY 46 26.351 5.959 7.499
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -10.922 -33.620 8.760
2 HA2 GLY 1 1HA GLY 1 -11.059 -33.232 6.068
3 HA3 GLY 1 2HA GLY 1 -12.715 -32.983 6.600
4 H SER 2 H SER 2 -10.064 -31.362 5.762
5 HA SER 2 HA SER 2 -9.048 -29.383 6.397
6 HB2 SER 2 1HB SER 2 -10.706 -27.523 6.384
7 HB3 SER 2 2HB SER 2 -10.936 -28.658 5.054
8 HG SER 2 HG SER 2 -12.334 -29.139 7.417
9 H SER 3 H SER 3 -9.106 -31.015 8.618
10 HA SER 3 HA SER 3 -10.281 -29.663 10.861
11 HB2 SER 3 1HB SER 3 -8.218 -31.878 10.779
12 HB3 SER 3 2HB SER 3 -9.091 -31.343 12.215
13 HG SER 3 HG SER 3 -10.715 -32.520 11.614
14 H GLY 4 H GLY 4 -9.429 -27.560 10.779
15 HA2 GLY 4 1HA GLY 4 -7.899 -26.229 12.096
16 HA3 GLY 4 2HA GLY 4 -6.639 -27.394 11.718
17 H SER 5 H SER 5 -8.965 -25.501 9.786
18 HA SER 5 HA SER 5 -6.704 -24.667 8.091
19 HB2 SER 5 1HB SER 5 -8.636 -26.071 7.106
20 HB3 SER 5 2HB SER 5 -9.590 -24.594 7.232
21 HG SER 5 HG SER 5 -7.409 -25.178 5.583
22 H SER 6 H SER 6 -6.322 -22.545 7.752
23 HA SER 6 HA SER 6 -8.295 -20.532 8.374
24 HB2 SER 6 1HB SER 6 -5.740 -20.679 9.992
25 HB3 SER 6 2HB SER 6 -6.929 -19.380 10.062
26 HG SER 6 HG SER 6 -7.780 -20.573 11.571
27 H GLY 7 H GLY 7 -7.364 -18.292 8.020
28 HA2 GLY 7 1HA GLY 7 -5.095 -18.317 6.151
29 HA3 GLY 7 2HA GLY 7 -6.628 -17.641 5.620
30 H THR 8 H THR 8 -3.715 -16.721 6.530
31 HA THR 8 HA THR 8 -4.712 -14.272 7.824
32 HB THR 8 HB THR 8 -2.575 -14.145 9.099
33 HG1 THR 8 HG1 THR 8 -1.676 -16.497 9.248
34 HG21 THR 8 3HG2 THR 8 -3.201 -15.737 10.810
35 HG22 THR 8 1HG2 THR 8 -4.156 -16.659 9.650
36 HG23 THR 8 2HG2 THR 8 -4.658 -15.032 10.111
37 H GLY 9 H GLY 9 -3.904 -12.370 7.068
38 HA2 GLY 9 1HA GLY 9 -2.665 -10.908 5.787
39 HA3 GLY 9 2HA GLY 9 -1.490 -12.193 5.547
40 H GLU 10 H GLU 10 -4.931 -12.169 4.705
41 HA GLU 10 HA GLU 10 -4.138 -12.491 1.885
42 HB2 GLU 10 1HB GLU 10 -5.199 -14.491 2.997
43 HB3 GLU 10 2HB GLU 10 -6.666 -13.537 3.163
44 HG2 GLU 10 1HG GLU 10 -6.983 -14.841 1.248
45 HG3 GLU 10 2HG GLU 10 -6.586 -13.230 0.653
46 H LYS 11 H LYS 11 -4.197 -10.194 1.619
47 HA LYS 11 HA LYS 11 -6.895 -9.228 1.072
48 HB2 LYS 11 1HB LYS 11 -6.651 -7.185 2.258
49 HB3 LYS 11 2HB LYS 11 -6.205 -8.463 3.381
50 HG2 LYS 11 1HG LYS 11 -3.908 -7.966 3.190
51 HG3 LYS 11 2HG LYS 11 -4.173 -6.936 1.782
52 HD2 LYS 11 1HD LYS 11 -3.800 -5.517 3.671
53 HD3 LYS 11 2HD LYS 11 -5.511 -5.413 3.246
54 HE2 LYS 11 1HE LYS 11 -4.651 -7.425 5.269
55 HE3 LYS 11 2HE LYS 11 -4.736 -5.729 5.744
56 HZ1 LYS 11 3HZ LYS 11 -6.900 -7.542 4.937
57 HZ2 LYS 11 1HZ LYS 11 -7.071 -5.885 4.641
58 HZ3 LYS 11 2HZ LYS 11 -6.842 -6.442 6.221
59 HA PRO 12 HA PRO 12 -5.043 -7.596 -2.560
60 HB2 PRO 12 1HB PRO 12 -6.664 -5.475 -3.053
61 HB3 PRO 12 2HB PRO 12 -7.173 -7.150 -3.296
62 HG2 PRO 12 1HG PRO 12 -7.725 -5.317 -0.995
63 HG3 PRO 12 2HG PRO 12 -8.825 -6.433 -1.825
64 HD2 PRO 12 1HD PRO 12 -7.658 -7.030 0.545
65 HD3 PRO 12 2HD PRO 12 -8.036 -8.267 -0.672
66 H TYR 13 H TYR 13 -4.980 -5.957 0.374
67 HA TYR 13 HA TYR 13 -3.438 -3.711 -0.726
68 HB2 TYR 13 1HB TYR 13 -4.414 -3.995 2.114
69 HB3 TYR 13 2HB TYR 13 -3.864 -2.535 1.301
70 HD1 TYR 13 HD1 TYR 13 -6.641 -4.901 1.685
71 HD2 TYR 13 HD2 TYR 13 -5.325 -1.318 -0.196
72 HE1 TYR 13 HE1 TYR 13 -8.963 -4.381 1.063
73 HE2 TYR 13 HE2 TYR 13 -7.644 -0.788 -0.821
74 HH TYR 13 HH TYR 13 -9.978 -2.749 -1.058
75 H GLU 14 H GLU 14 -1.322 -4.041 -0.799
76 HA GLU 14 HA GLU 14 0.052 -5.035 1.564
77 HB2 GLU 14 1HB GLU 14 -0.044 -6.468 -1.052
78 HB3 GLU 14 2HB GLU 14 1.465 -6.477 -0.150
79 HG2 GLU 14 1HG GLU 14 0.309 -7.430 1.778
80 HG3 GLU 14 2HG GLU 14 -1.203 -7.423 0.873
81 H CYS 15 H CYS 15 2.404 -4.718 1.434
82 HA CYS 15 HA CYS 15 3.009 -2.303 -0.110
83 HB2 CYS 15 1HB CYS 15 3.332 -2.414 2.413
84 HB3 CYS 15 2HB CYS 15 4.676 -3.507 2.099
85 H ASP 16 H ASP 16 4.813 -2.125 -1.426
86 HA ASP 16 HA ASP 16 5.783 -4.649 -2.500
87 HB2 ASP 16 1HB ASP 16 4.971 -2.595 -3.870
88 HB3 ASP 16 2HB ASP 16 6.570 -1.938 -3.529
89 H VAL 17 H VAL 17 6.655 -3.414 0.135
90 HA VAL 17 HA VAL 17 9.541 -3.662 -0.365
91 HB VAL 17 HB VAL 17 8.267 -1.627 1.469
92 HG11 VAL 17 1HG1 VAL 17 11.195 -1.973 0.869
93 HG12 VAL 17 2HG1 VAL 17 10.447 -0.944 2.092
94 HG13 VAL 17 3HG1 VAL 17 10.408 -2.699 2.270
95 HG21 VAL 17 3HG2 VAL 17 9.884 -1.245 -1.050
96 HG22 VAL 17 1HG2 VAL 17 8.139 -1.028 -0.906
97 HG23 VAL 17 2HG2 VAL 17 9.236 0.035 -0.023
98 H CYS 18 H CYS 18 7.228 -3.344 2.337
99 HA CYS 18 HA CYS 18 8.690 -5.470 3.741
100 HB2 CYS 18 1HB CYS 18 7.459 -4.655 5.760
101 HB3 CYS 18 2HB CYS 18 8.517 -3.447 5.036
102 H ARG 19 H ARG 19 6.231 -5.295 1.685
103 HA ARG 19 HA ARG 19 4.327 -6.480 1.266
104 HB2 ARG 19 1HB ARG 19 5.715 -8.545 2.984
105 HB3 ARG 19 2HB ARG 19 4.431 -8.853 1.823
106 HG2 ARG 19 1HG ARG 19 7.185 -7.822 1.175
107 HG3 ARG 19 2HG ARG 19 6.604 -9.470 0.926
108 HD2 ARG 19 1HD ARG 19 4.708 -8.190 -0.419
109 HD3 ARG 19 2HD ARG 19 5.983 -6.981 -0.572
110 HE ARG 19 HE ARG 19 7.108 -8.386 -1.997
111 HH11 ARG 19 1HH1 ARG 19 4.566 -10.145 -0.396
112 HH12 ARG 19 2HH1 ARG 19 4.734 -11.552 -1.392
113 HH21 ARG 19 1HH2 ARG 19 7.339 -10.233 -3.315
114 HH22 ARG 19 2HH2 ARG 19 6.312 -11.601 -3.052
115 H LYS 20 H LYS 20 4.146 -4.706 3.477
116 HA LYS 20 HA LYS 20 2.732 -6.071 5.595
117 HB2 LYS 20 1HB LYS 20 4.174 -4.035 5.945
118 HB3 LYS 20 2HB LYS 20 2.941 -3.097 5.112
119 HG2 LYS 20 1HG LYS 20 1.358 -3.474 6.817
120 HG3 LYS 20 2HG LYS 20 2.341 -4.743 7.551
121 HD2 LYS 20 1HD LYS 20 3.291 -1.899 7.329
122 HD3 LYS 20 2HD LYS 20 2.339 -2.470 8.701
123 HE2 LYS 20 1HE LYS 20 4.852 -3.861 7.825
124 HE3 LYS 20 2HE LYS 20 4.891 -2.485 8.926
125 HZ1 LYS 20 3HZ LYS 20 4.520 -5.104 9.618
126 HZ2 LYS 20 1HZ LYS 20 2.970 -4.436 9.728
127 HZ3 LYS 20 2HZ LYS 20 4.246 -3.760 10.608
128 H ALA 21 H ALA 21 0.599 -6.375 5.745
129 HA ALA 21 HA ALA 21 -1.089 -5.412 3.570
130 HB1 ALA 21 3HB ALA 21 -1.435 -7.515 5.682
131 HB2 ALA 21 1HB ALA 21 -2.788 -6.956 4.697
132 HB3 ALA 21 2HB ALA 21 -1.386 -7.704 3.929
133 H PHE 22 H PHE 22 -2.720 -3.977 3.794
134 HA PHE 22 HA PHE 22 -3.291 -2.969 6.501
135 HB2 PHE 22 1HB PHE 22 -3.162 -1.265 4.007
136 HB3 PHE 22 2HB PHE 22 -3.398 -0.709 5.661
137 HD1 PHE 22 HD1 PHE 22 -0.955 -2.367 3.420
138 HD2 PHE 22 HD2 PHE 22 -1.575 -0.163 7.008
139 HE1 PHE 22 HE1 PHE 22 1.478 -2.098 3.671
140 HE2 PHE 22 HE2 PHE 22 0.856 0.111 7.264
141 HZ PHE 22 HZ PHE 22 2.386 -0.856 5.594
142 H SER 23 H SER 23 -5.386 -2.781 7.029
143 HA SER 23 HA SER 23 -7.379 -3.961 5.437
144 HB2 SER 23 1HB SER 23 -7.755 -2.066 7.769
145 HB3 SER 23 2HB SER 23 -8.953 -3.196 7.138
146 HG SER 23 HG SER 23 -6.889 -4.671 7.614
147 H HIS 24 H HIS 24 -6.691 -0.549 6.151
148 HA HIS 24 HA HIS 24 -8.613 0.242 4.081
149 HB2 HIS 24 1HB HIS 24 -8.677 1.263 6.411
150 HB3 HIS 24 2HB HIS 24 -7.168 2.072 5.998
151 HD1 HIS 24 HD1 HIS 24 -9.951 3.493 6.596
152 HD2 HIS 24 HD2 HIS 24 -8.290 2.801 2.850
153 HE1 HIS 24 HE1 HIS 24 -10.992 5.201 5.072
154 H HIS 25 H HIS 25 -7.905 0.761 2.128
155 HA HIS 25 HA HIS 25 -5.467 0.562 1.072
156 HB2 HIS 25 1HB HIS 25 -7.659 1.315 -0.053
157 HB3 HIS 25 2HB HIS 25 -7.130 2.954 0.314
158 HD1 HIS 25 HD1 HIS 25 -6.088 -0.071 -1.695
159 HD2 HIS 25 HD2 HIS 25 -5.272 3.994 -1.417
160 HE1 HIS 25 HE1 HIS 25 -4.641 0.462 -3.682
161 H ALA 26 H ALA 26 -6.640 3.760 2.141
162 HA ALA 26 HA ALA 26 -4.498 5.324 1.911
163 HB1 ALA 26 3HB ALA 26 -6.349 6.310 2.921
164 HB2 ALA 26 1HB ALA 26 -6.410 5.105 4.208
165 HB3 ALA 26 2HB ALA 26 -5.131 6.321 4.197
166 H SER 27 H SER 27 -4.958 3.511 4.951
167 HA SER 27 HA SER 27 -2.631 3.911 6.214
168 HB2 SER 27 1HB SER 27 -4.186 1.349 5.907
169 HB3 SER 27 2HB SER 27 -2.759 1.440 6.939
170 HG SER 27 HG SER 27 -4.501 1.906 8.216
171 H LEU 28 H LEU 28 -3.066 1.664 3.513
172 HA LEU 28 HA LEU 28 -0.349 0.776 3.524
173 HB2 LEU 28 1HB LEU 28 -1.836 -0.752 2.602
174 HB3 LEU 28 2HB LEU 28 -2.667 0.482 1.657
175 HG LEU 28 HG LEU 28 -0.692 0.618 0.171
176 HD11 LEU 28 1HD1 LEU 28 0.586 -0.732 2.242
177 HD12 LEU 28 2HD1 LEU 28 1.247 -0.349 0.653
178 HD13 LEU 28 3HD1 LEU 28 0.472 -1.908 0.932
179 HD21 LEU 28 3HD2 LEU 28 -1.319 -2.253 0.104
180 HD22 LEU 28 1HD2 LEU 28 -1.509 -1.017 -1.139
181 HD23 LEU 28 2HD2 LEU 28 -2.717 -1.178 0.137
182 H THR 29 H THR 29 -2.196 3.149 1.667
183 HA THR 29 HA THR 29 -0.139 3.819 -0.152
184 HB THR 29 HB THR 29 -2.647 5.215 0.732
185 HG1 THR 29 HG1 THR 29 -3.126 3.786 -0.817
186 HG21 THR 29 3HG2 THR 29 -1.707 7.191 0.232
187 HG22 THR 29 1HG2 THR 29 -1.788 6.652 -1.445
188 HG23 THR 29 2HG2 THR 29 -0.303 6.434 -0.519
189 H GLN 30 H GLN 30 -1.350 5.663 2.658
190 HA GLN 30 HA GLN 30 0.618 7.615 2.683
191 HB2 GLN 30 1HB GLN 30 -1.334 7.883 4.041
192 HB3 GLN 30 2HB GLN 30 -0.981 6.415 4.943
193 HG2 GLN 30 1HG GLN 30 1.216 7.697 5.566
194 HG3 GLN 30 2HG GLN 30 0.252 9.113 5.151
195 HE21 GLN 30 1HE2 GLN 30 1.206 7.246 7.634
196 HE22 GLN 30 2HE2 GLN 30 -0.100 7.509 8.735
197 H HIS 31 H HIS 31 0.610 4.418 4.187
198 HA HIS 31 HA HIS 31 2.898 4.601 5.734
199 HB2 HIS 31 1HB HIS 31 1.809 2.611 6.087
200 HB3 HIS 31 2HB HIS 31 1.468 2.370 4.376
201 HD1 HIS 31 HD1 HIS 31 4.156 1.854 6.946
202 HD2 HIS 31 HD2 HIS 31 3.367 0.904 2.979
203 HE1 HIS 31 HE1 HIS 31 5.912 0.175 6.294
204 H GLN 32 H GLN 32 2.618 3.691 2.311
205 HA GLN 32 HA GLN 32 5.063 2.932 1.576
206 HB2 GLN 32 1HB GLN 32 3.449 5.076 0.187
207 HB3 GLN 32 2HB GLN 32 4.786 4.199 -0.545
208 HG2 GLN 32 1HG GLN 32 2.117 3.125 0.312
209 HG3 GLN 32 2HG GLN 32 2.798 3.188 -1.313
210 HE21 GLN 32 1HE2 GLN 32 5.011 2.029 -1.427
211 HE22 GLN 32 2HE2 GLN 32 5.053 0.457 -0.712
212 H ARG 33 H ARG 33 4.231 6.170 2.630
213 HA ARG 33 HA ARG 33 6.338 7.696 1.860
214 HB2 ARG 33 1HB ARG 33 4.865 7.595 4.479
215 HB3 ARG 33 2HB ARG 33 6.146 8.768 4.203
216 HG2 ARG 33 1HG ARG 33 4.836 9.435 2.112
217 HG3 ARG 33 2HG ARG 33 3.500 8.524 2.819
218 HD2 ARG 33 1HD ARG 33 3.044 10.589 3.676
219 HD3 ARG 33 2HD ARG 33 4.107 9.976 4.942
220 HE ARG 33 HE ARG 33 5.616 11.315 2.963
221 HH11 ARG 33 1HH1 ARG 33 3.416 11.915 5.594
222 HH12 ARG 33 2HH1 ARG 33 4.052 13.489 5.939
223 HH21 ARG 33 1HH2 ARG 33 6.462 13.386 3.407
224 HH22 ARG 33 2HH2 ARG 33 5.784 14.325 4.694
225 H VAL 34 H VAL 34 6.314 5.713 4.827
226 HA VAL 34 HA VAL 34 8.727 6.075 5.893
227 HB VAL 34 HB VAL 34 8.849 3.695 6.491
228 HG11 VAL 34 1HG1 VAL 34 6.351 3.547 7.295
229 HG12 VAL 34 2HG1 VAL 34 7.445 4.765 7.955
230 HG13 VAL 34 3HG1 VAL 34 6.290 5.205 6.696
231 HG21 VAL 34 3HG2 VAL 34 6.769 2.347 5.610
232 HG22 VAL 34 1HG2 VAL 34 6.904 3.459 4.248
233 HG23 VAL 34 2HG2 VAL 34 8.264 2.420 4.676
234 H HIS 35 H HIS 35 8.169 4.110 2.989
235 HA HIS 35 HA HIS 35 11.013 3.686 2.622
236 HB2 HIS 35 1HB HIS 35 8.859 2.977 0.641
237 HB3 HIS 35 2HB HIS 35 10.434 2.221 0.862
238 HD1 HIS 35 HD1 HIS 35 10.591 1.211 3.545
239 HD2 HIS 35 HD2 HIS 35 6.923 1.374 1.601
240 HE1 HIS 35 HE1 HIS 35 9.119 -0.437 4.746
241 H SER 36 H SER 36 12.097 5.462 2.004
242 HA SER 36 HA SER 36 11.188 7.655 0.627
243 HB2 SER 36 1HB SER 36 13.621 7.910 -0.130
244 HB3 SER 36 2HB SER 36 13.341 7.796 1.607
245 HG SER 36 HG SER 36 13.637 5.336 0.744
246 H GLY 37 H GLY 37 12.365 4.598 -0.682
247 HA2 GLY 37 1HA GLY 37 11.192 3.914 -2.772
248 HA3 GLY 37 2HA GLY 37 11.543 5.531 -3.364
249 H GLU 38 H GLU 38 12.388 3.912 -5.094
250 HA GLU 38 HA GLU 38 14.882 2.631 -4.586
251 HB2 GLU 38 1HB GLU 38 13.301 3.274 -7.051
252 HB3 GLU 38 2HB GLU 38 14.955 2.696 -7.197
253 HG2 GLU 38 1HG GLU 38 14.388 0.669 -6.006
254 HG3 GLU 38 2HG GLU 38 12.744 1.253 -5.753
255 H LYS 39 H LYS 39 14.111 5.831 -4.763
256 HA LYS 39 HA LYS 39 16.886 6.544 -5.376
257 HB2 LYS 39 1HB LYS 39 16.109 8.514 -6.669
258 HB3 LYS 39 2HB LYS 39 15.697 6.985 -7.434
259 HG2 LYS 39 1HG LYS 39 13.414 7.194 -6.449
260 HG3 LYS 39 2HG LYS 39 13.862 8.812 -5.902
261 HD2 LYS 39 1HD LYS 39 14.113 7.986 -8.780
262 HD3 LYS 39 2HD LYS 39 12.601 8.615 -8.121
263 HE2 LYS 39 1HE LYS 39 15.131 10.128 -7.665
264 HE3 LYS 39 2HE LYS 39 14.352 10.216 -9.244
265 HZ1 LYS 39 3HZ LYS 39 12.342 11.000 -8.193
266 HZ2 LYS 39 1HZ LYS 39 13.636 11.996 -7.751
267 HZ3 LYS 39 2HZ LYS 39 13.037 10.853 -6.658
268 HA PRO 40 HA PRO 40 16.503 8.928 -1.693
269 HB2 PRO 40 1HB PRO 40 18.578 10.636 -2.078
270 HB3 PRO 40 2HB PRO 40 18.800 8.937 -1.642
271 HG2 PRO 40 1HG PRO 40 18.985 10.243 -4.329
272 HG3 PRO 40 2HG PRO 40 20.043 9.018 -3.605
273 HD2 PRO 40 1HD PRO 40 18.129 8.401 -5.418
274 HD3 PRO 40 2HD PRO 40 18.604 7.291 -4.117
275 H SER 41 H SER 41 14.641 10.115 -1.768
276 HA SER 41 HA SER 41 14.883 12.833 -2.823
277 HB2 SER 41 1HB SER 41 12.759 12.765 -3.946
278 HB3 SER 41 2HB SER 41 13.709 11.399 -4.529
279 HG SER 41 HG SER 41 11.550 11.397 -2.707
280 H GLY 42 H GLY 42 14.251 14.283 -1.365
281 HA2 GLY 42 1HA GLY 42 12.177 13.539 0.579
282 HA3 GLY 42 2HA GLY 42 13.724 14.123 1.173
283 HA PRO 43 HA PRO 43 10.650 17.619 0.123
284 HB2 PRO 43 1HB PRO 43 9.824 18.215 2.639
285 HB3 PRO 43 2HB PRO 43 8.983 17.059 1.600
286 HG2 PRO 43 1HG PRO 43 10.934 16.548 3.812
287 HG3 PRO 43 2HG PRO 43 9.416 15.708 3.443
288 HD2 PRO 43 1HD PRO 43 11.838 14.711 2.755
289 HD3 PRO 43 2HD PRO 43 10.380 14.434 1.781
290 H SER 44 H SER 44 10.726 19.871 1.217
291 HA SER 44 HA SER 44 13.275 20.390 2.544
292 HB2 SER 44 1HB SER 44 13.760 22.248 0.926
293 HB3 SER 44 2HB SER 44 13.875 20.635 0.223
294 HG SER 44 HG SER 44 12.571 21.474 -1.209
295 H SER 45 H SER 45 12.936 21.705 4.199
296 HA SER 45 HA SER 45 10.742 23.663 4.020
297 HB2 SER 45 1HB SER 45 11.564 22.024 6.428
298 HB3 SER 45 2HB SER 45 10.382 23.331 6.461
299 HG SER 45 HG SER 45 9.495 21.884 4.580
300 H GLY 46 H GLY 46 11.011 25.593 5.305
301 HA2 GLY 46 1HA GLY 46 12.856 26.546 6.908
302 HA3 GLY 46 2HA GLY 46 13.833 26.367 5.458
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -5.361 -30.746 14.471
2 HA2 GLY 1 1HA GLY 1 -5.542 -32.417 12.042
3 HA3 GLY 1 2HA GLY 1 -6.815 -31.289 12.484
4 H SER 2 H SER 2 -6.055 -30.807 10.099
5 HA SER 2 HA SER 2 -3.700 -29.186 9.865
6 HB2 SER 2 1HB SER 2 -6.020 -29.627 7.971
7 HB3 SER 2 2HB SER 2 -4.561 -28.723 7.567
8 HG SER 2 HG SER 2 -4.968 -31.388 7.569
9 H SER 3 H SER 3 -3.575 -27.217 10.698
10 HA SER 3 HA SER 3 -5.971 -25.636 11.135
11 HB2 SER 3 1HB SER 3 -3.089 -24.971 11.785
12 HB3 SER 3 2HB SER 3 -4.518 -24.121 12.373
13 HG SER 3 HG SER 3 -5.102 -25.966 13.515
14 H GLY 4 H GLY 4 -2.891 -25.309 9.382
15 HA2 GLY 4 1HA GLY 4 -3.032 -24.445 7.083
16 HA3 GLY 4 2HA GLY 4 -4.212 -23.287 7.679
17 H SER 5 H SER 5 -3.220 -21.387 7.274
18 HA SER 5 HA SER 5 -0.885 -20.750 8.878
19 HB2 SER 5 1HB SER 5 0.412 -19.862 7.015
20 HB3 SER 5 2HB SER 5 0.058 -21.566 6.731
21 HG SER 5 HG SER 5 -1.591 -20.937 5.319
22 H SER 6 H SER 6 -0.955 -18.714 9.628
23 HA SER 6 HA SER 6 -2.900 -16.871 8.398
24 HB2 SER 6 1HB SER 6 -3.333 -15.974 10.662
25 HB3 SER 6 2HB SER 6 -3.744 -17.685 10.545
26 HG SER 6 HG SER 6 -1.954 -18.202 11.700
27 H GLY 7 H GLY 7 -1.224 -15.930 7.145
28 HA2 GLY 7 1HA GLY 7 -0.175 -13.581 7.870
29 HA3 GLY 7 2HA GLY 7 1.015 -14.695 8.529
30 H THR 8 H THR 8 -0.815 -14.983 5.513
31 HA THR 8 HA THR 8 1.709 -14.677 4.029
32 HB THR 8 HB THR 8 -0.424 -16.699 3.331
33 HG1 THR 8 HG1 THR 8 1.228 -16.878 5.315
34 HG21 THR 8 3HG2 THR 8 0.711 -17.016 1.439
35 HG22 THR 8 1HG2 THR 8 2.224 -17.212 2.323
36 HG23 THR 8 2HG2 THR 8 1.685 -15.603 1.843
37 H GLY 9 H GLY 9 -0.162 -12.626 4.420
38 HA2 GLY 9 1HA GLY 9 -1.135 -10.971 3.149
39 HA3 GLY 9 2HA GLY 9 -0.658 -11.871 1.717
40 H GLU 10 H GLU 10 -3.188 -11.240 4.003
41 HA GLU 10 HA GLU 10 -5.002 -13.003 2.503
42 HB2 GLU 10 1HB GLU 10 -4.888 -13.445 4.914
43 HB3 GLU 10 2HB GLU 10 -5.335 -11.777 5.247
44 HG2 GLU 10 1HG GLU 10 -7.518 -12.085 4.465
45 HG3 GLU 10 2HG GLU 10 -7.105 -13.593 3.651
46 H LYS 11 H LYS 11 -4.342 -9.716 3.384
47 HA LYS 11 HA LYS 11 -6.908 -8.757 2.410
48 HB2 LYS 11 1HB LYS 11 -4.576 -7.557 3.818
49 HB3 LYS 11 2HB LYS 11 -5.567 -6.490 2.832
50 HG2 LYS 11 1HG LYS 11 -6.648 -6.264 4.811
51 HG3 LYS 11 2HG LYS 11 -7.521 -7.662 4.178
52 HD2 LYS 11 1HD LYS 11 -5.055 -8.174 5.751
53 HD3 LYS 11 2HD LYS 11 -6.485 -7.623 6.628
54 HE2 LYS 11 1HE LYS 11 -7.775 -9.463 5.590
55 HE3 LYS 11 2HE LYS 11 -6.294 -10.035 4.826
56 HZ1 LYS 11 3HZ LYS 11 -5.393 -10.654 6.857
57 HZ2 LYS 11 1HZ LYS 11 -7.016 -11.106 7.014
58 HZ3 LYS 11 2HZ LYS 11 -6.456 -9.691 7.753
59 HA PRO 12 HA PRO 12 -5.636 -7.956 -1.718
60 HB2 PRO 12 1HB PRO 12 -7.201 -5.816 -2.305
61 HB3 PRO 12 2HB PRO 12 -7.836 -7.460 -2.159
62 HG2 PRO 12 1HG PRO 12 -7.869 -5.231 -0.160
63 HG3 PRO 12 2HG PRO 12 -9.158 -6.373 -0.585
64 HD2 PRO 12 1HD PRO 12 -7.623 -6.666 1.626
65 HD3 PRO 12 2HD PRO 12 -8.278 -8.050 0.728
66 H TYR 13 H TYR 13 -5.021 -5.813 0.822
67 HA TYR 13 HA TYR 13 -3.469 -4.017 -0.918
68 HB2 TYR 13 1HB TYR 13 -4.369 -3.568 1.935
69 HB3 TYR 13 2HB TYR 13 -3.524 -2.406 0.918
70 HD1 TYR 13 HD1 TYR 13 -6.723 -4.092 1.541
71 HD2 TYR 13 HD2 TYR 13 -4.686 -1.207 -0.832
72 HE1 TYR 13 HE1 TYR 13 -8.883 -3.252 0.719
73 HE2 TYR 13 HE2 TYR 13 -6.840 -0.358 -1.660
74 HH TYR 13 HH TYR 13 -9.052 -0.736 -1.759
75 H GLU 14 H GLU 14 -1.366 -4.399 -0.996
76 HA GLU 14 HA GLU 14 0.024 -5.240 1.445
77 HB2 GLU 14 1HB GLU 14 -0.404 -7.258 0.083
78 HB3 GLU 14 2HB GLU 14 0.437 -6.510 -1.268
79 HG2 GLU 14 1HG GLU 14 2.471 -6.384 0.186
80 HG3 GLU 14 2HG GLU 14 1.600 -7.357 1.371
81 H CYS 15 H CYS 15 2.186 -4.595 1.590
82 HA CYS 15 HA CYS 15 2.827 -2.255 0.021
83 HB2 CYS 15 1HB CYS 15 3.224 -2.745 2.595
84 HB3 CYS 15 2HB CYS 15 4.739 -3.414 1.999
85 H ASP 16 H ASP 16 4.266 -2.111 -1.592
86 HA ASP 16 HA ASP 16 5.414 -4.544 -2.637
87 HB2 ASP 16 1HB ASP 16 4.385 -2.542 -3.955
88 HB3 ASP 16 2HB ASP 16 5.975 -1.813 -3.749
89 H VAL 17 H VAL 17 6.366 -3.095 -0.091
90 HA VAL 17 HA VAL 17 9.228 -3.139 -0.795
91 HB VAL 17 HB VAL 17 7.875 -1.307 1.191
92 HG11 VAL 17 1HG1 VAL 17 9.930 -1.854 2.176
93 HG12 VAL 17 2HG1 VAL 17 10.772 -1.859 0.625
94 HG13 VAL 17 3HG1 VAL 17 10.234 -0.336 1.332
95 HG21 VAL 17 3HG2 VAL 17 9.298 -0.755 -1.411
96 HG22 VAL 17 1HG2 VAL 17 7.575 -0.562 -1.088
97 HG23 VAL 17 2HG2 VAL 17 8.746 0.480 -0.279
98 H CYS 18 H CYS 18 7.014 -3.274 2.001
99 HA CYS 18 HA CYS 18 8.743 -5.372 3.141
100 HB2 CYS 18 1HB CYS 18 7.932 -4.650 5.361
101 HB3 CYS 18 2HB CYS 18 8.775 -3.358 4.511
102 H ARG 19 H ARG 19 6.325 -5.461 1.307
103 HA ARG 19 HA ARG 19 4.275 -6.504 1.150
104 HB2 ARG 19 1HB ARG 19 6.249 -8.406 2.314
105 HB3 ARG 19 2HB ARG 19 4.570 -8.921 2.227
106 HG2 ARG 19 1HG ARG 19 5.690 -9.699 0.275
107 HG3 ARG 19 2HG ARG 19 4.602 -8.395 -0.205
108 HD2 ARG 19 1HD ARG 19 6.320 -6.943 -0.655
109 HD3 ARG 19 2HD ARG 19 7.417 -7.720 0.485
110 HE ARG 19 HE ARG 19 8.131 -9.094 -1.198
111 HH11 ARG 19 1HH1 ARG 19 5.130 -7.604 -2.144
112 HH12 ARG 19 2HH1 ARG 19 5.192 -8.205 -3.768
113 HH21 ARG 19 1HH2 ARG 19 8.224 -9.891 -3.333
114 HH22 ARG 19 2HH2 ARG 19 6.953 -9.507 -4.443
115 H LYS 20 H LYS 20 3.827 -4.736 3.024
116 HA LYS 20 HA LYS 20 2.905 -6.067 5.453
117 HB2 LYS 20 1HB LYS 20 4.163 -3.865 5.487
118 HB3 LYS 20 2HB LYS 20 2.727 -3.128 4.787
119 HG2 LYS 20 1HG LYS 20 1.486 -3.397 6.708
120 HG3 LYS 20 2HG LYS 20 2.494 -4.720 7.300
121 HD2 LYS 20 1HD LYS 20 4.353 -2.910 7.413
122 HD3 LYS 20 2HD LYS 20 3.006 -1.770 7.364
123 HE2 LYS 20 1HE LYS 20 2.184 -2.450 9.410
124 HE3 LYS 20 2HE LYS 20 2.943 -4.038 9.304
125 HZ1 LYS 20 3HZ LYS 20 4.151 -2.841 10.904
126 HZ2 LYS 20 1HZ LYS 20 4.226 -1.448 9.945
127 HZ3 LYS 20 2HZ LYS 20 5.120 -2.819 9.517
128 H ALA 21 H ALA 21 0.832 -6.528 5.869
129 HA ALA 21 HA ALA 21 -1.138 -5.997 3.801
130 HB1 ALA 21 3HB ALA 21 -2.554 -7.395 5.539
131 HB2 ALA 21 1HB ALA 21 -1.399 -8.167 4.453
132 HB3 ALA 21 2HB ALA 21 -0.951 -7.837 6.127
133 H PHE 22 H PHE 22 -2.911 -4.714 4.000
134 HA PHE 22 HA PHE 22 -3.365 -3.365 6.568
135 HB2 PHE 22 1HB PHE 22 -3.319 -1.940 3.901
136 HB3 PHE 22 2HB PHE 22 -3.598 -1.210 5.478
137 HD1 PHE 22 HD1 PHE 22 -1.091 -2.706 3.258
138 HD2 PHE 22 HD2 PHE 22 -1.784 -0.727 6.962
139 HE1 PHE 22 HE1 PHE 22 1.325 -2.300 3.489
140 HE2 PHE 22 HE2 PHE 22 0.630 -0.317 7.199
141 HZ PHE 22 HZ PHE 22 2.188 -1.103 5.461
142 H SER 23 H SER 23 -5.478 -1.995 6.364
143 HA SER 23 HA SER 23 -7.522 -3.833 5.389
144 HB2 SER 23 1HB SER 23 -9.069 -2.584 6.778
145 HB3 SER 23 2HB SER 23 -7.625 -2.954 7.722
146 HG SER 23 HG SER 23 -7.399 -0.896 8.002
147 H HIS 24 H HIS 24 -6.908 -0.320 5.285
148 HA HIS 24 HA HIS 24 -8.389 -0.236 2.738
149 HB2 HIS 24 1HB HIS 24 -9.575 1.060 4.362
150 HB3 HIS 24 2HB HIS 24 -8.097 1.852 4.900
151 HD1 HIS 24 HD1 HIS 24 -9.160 1.476 1.293
152 HD2 HIS 24 HD2 HIS 24 -8.737 4.422 4.191
153 HE1 HIS 24 HE1 HIS 24 -9.507 3.657 0.090
154 H HIS 25 H HIS 25 -7.494 0.806 0.998
155 HA HIS 25 HA HIS 25 -4.877 0.733 0.437
156 HB2 HIS 25 1HB HIS 25 -6.873 1.547 -1.017
157 HB3 HIS 25 2HB HIS 25 -6.407 3.155 -0.468
158 HD1 HIS 25 HD1 HIS 25 -4.743 0.167 -2.142
159 HD2 HIS 25 HD2 HIS 25 -4.560 4.317 -2.062
160 HE1 HIS 25 HE1 HIS 25 -3.034 0.798 -3.875
161 H ALA 26 H ALA 26 -6.416 3.734 1.611
162 HA ALA 26 HA ALA 26 -4.425 5.459 1.891
163 HB1 ALA 26 3HB ALA 26 -6.156 6.409 2.939
164 HB2 ALA 26 1HB ALA 26 -6.769 4.862 3.523
165 HB3 ALA 26 2HB ALA 26 -5.488 5.694 4.406
166 H SER 27 H SER 27 -5.058 3.262 4.631
167 HA SER 27 HA SER 27 -2.903 3.647 6.171
168 HB2 SER 27 1HB SER 27 -4.800 1.787 6.220
169 HB3 SER 27 2HB SER 27 -3.499 0.782 5.581
170 HG SER 27 HG SER 27 -2.303 1.886 7.473
171 H LEU 28 H LEU 28 -2.907 1.606 3.267
172 HA LEU 28 HA LEU 28 -0.136 0.946 3.467
173 HB2 LEU 28 1HB LEU 28 -1.393 -0.615 2.295
174 HB3 LEU 28 2HB LEU 28 -2.247 0.621 1.374
175 HG LEU 28 HG LEU 28 -0.188 1.039 0.079
176 HD11 LEU 28 1HD1 LEU 28 1.623 -0.675 0.241
177 HD12 LEU 28 2HD1 LEU 28 0.878 -1.236 1.738
178 HD13 LEU 28 3HD1 LEU 28 1.508 0.407 1.630
179 HD21 LEU 28 3HD2 LEU 28 -1.657 -1.515 0.116
180 HD22 LEU 28 1HD2 LEU 28 -0.152 -1.507 -0.804
181 HD23 LEU 28 2HD2 LEU 28 -1.428 -0.352 -1.190
182 H THR 29 H THR 29 -2.005 3.332 1.657
183 HA THR 29 HA THR 29 0.063 4.296 0.023
184 HB THR 29 HB THR 29 -2.440 5.625 1.058
185 HG1 THR 29 HG1 THR 29 -1.857 4.991 -1.628
186 HG21 THR 29 3HG2 THR 29 -1.686 7.610 0.391
187 HG22 THR 29 1HG2 THR 29 -1.457 6.967 -1.235
188 HG23 THR 29 2HG2 THR 29 -0.141 6.891 -0.063
189 H GLN 30 H GLN 30 -1.216 5.690 3.052
190 HA GLN 30 HA GLN 30 0.702 7.701 3.317
191 HB2 GLN 30 1HB GLN 30 -0.754 6.250 5.532
192 HB3 GLN 30 2HB GLN 30 0.020 7.823 5.660
193 HG2 GLN 30 1HG GLN 30 -1.594 8.468 3.724
194 HG3 GLN 30 2HG GLN 30 -2.506 7.063 4.275
195 HE21 GLN 30 1HE2 GLN 30 -1.213 10.180 5.228
196 HE22 GLN 30 2HE2 GLN 30 -2.312 10.449 6.534
197 H HIS 31 H HIS 31 0.721 4.346 4.396
198 HA HIS 31 HA HIS 31 3.019 4.456 6.002
199 HB2 HIS 31 1HB HIS 31 1.797 2.500 6.275
200 HB3 HIS 31 2HB HIS 31 1.586 2.268 4.542
201 HD1 HIS 31 HD1 HIS 31 4.309 2.015 7.172
202 HD2 HIS 31 HD2 HIS 31 3.340 0.517 3.420
203 HE1 HIS 31 HE1 HIS 31 6.041 0.260 6.681
204 H GLN 32 H GLN 32 2.657 3.552 2.578
205 HA GLN 32 HA GLN 32 5.093 2.818 1.793
206 HB2 GLN 32 1HB GLN 32 3.150 4.697 0.511
207 HB3 GLN 32 2HB GLN 32 4.710 4.424 -0.254
208 HG2 GLN 32 1HG GLN 32 4.092 1.909 0.031
209 HG3 GLN 32 2HG GLN 32 2.449 2.531 0.166
210 HE21 GLN 32 1HE2 GLN 32 2.286 1.139 -1.803
211 HE22 GLN 32 2HE2 GLN 32 2.608 1.885 -3.328
212 H ARG 33 H ARG 33 4.234 6.089 2.758
213 HA ARG 33 HA ARG 33 6.333 7.598 1.948
214 HB2 ARG 33 1HB ARG 33 4.776 7.571 4.505
215 HB3 ARG 33 2HB ARG 33 6.139 8.669 4.338
216 HG2 ARG 33 1HG ARG 33 5.061 9.539 2.249
217 HG3 ARG 33 2HG ARG 33 3.643 8.576 2.667
218 HD2 ARG 33 1HD ARG 33 3.145 9.870 4.513
219 HD3 ARG 33 2HD ARG 33 4.804 10.441 4.687
220 HE ARG 33 HE ARG 33 2.743 11.712 3.246
221 HH11 ARG 33 1HH1 ARG 33 6.137 10.967 3.035
222 HH12 ARG 33 2HH1 ARG 33 6.509 12.337 2.042
223 HH21 ARG 33 1HH2 ARG 33 3.220 13.520 1.940
224 HH22 ARG 33 2HH2 ARG 33 4.850 13.789 1.421
225 H VAL 34 H VAL 34 6.323 5.693 4.965
226 HA VAL 34 HA VAL 34 8.742 6.110 6.013
227 HB VAL 34 HB VAL 34 8.866 3.762 6.710
228 HG11 VAL 34 1HG1 VAL 34 7.447 4.749 8.170
229 HG12 VAL 34 2HG1 VAL 34 6.385 5.354 6.898
230 HG13 VAL 34 3HG1 VAL 34 6.279 3.669 7.410
231 HG21 VAL 34 3HG2 VAL 34 6.732 2.417 5.850
232 HG22 VAL 34 1HG2 VAL 34 7.009 3.420 4.427
233 HG23 VAL 34 2HG2 VAL 34 8.286 2.357 5.019
234 H HIS 35 H HIS 35 8.152 4.192 3.104
235 HA HIS 35 HA HIS 35 10.989 3.662 2.768
236 HB2 HIS 35 1HB HIS 35 8.804 2.994 0.802
237 HB3 HIS 35 2HB HIS 35 10.376 2.222 0.987
238 HD1 HIS 35 HD1 HIS 35 10.553 1.253 3.711
239 HD2 HIS 35 HD2 HIS 35 6.897 1.346 1.740
240 HE1 HIS 35 HE1 HIS 35 9.096 -0.403 4.919
241 H SER 36 H SER 36 8.405 5.411 1.071
242 HA SER 36 HA SER 36 9.517 6.337 -1.165
243 HB2 SER 36 1HB SER 36 7.344 7.130 -0.457
244 HB3 SER 36 2HB SER 36 8.060 8.022 0.885
245 HG SER 36 HG SER 36 8.828 8.546 -1.776
246 H GLY 37 H GLY 37 10.042 8.032 1.937
247 HA2 GLY 37 1HA GLY 37 12.723 8.287 1.994
248 HA3 GLY 37 2HA GLY 37 12.269 9.499 0.805
249 H GLU 38 H GLU 38 13.568 10.369 2.980
250 HA GLU 38 HA GLU 38 11.448 11.653 4.572
251 HB2 GLU 38 1HB GLU 38 12.944 11.692 6.487
252 HB3 GLU 38 2HB GLU 38 12.729 10.040 5.924
253 HG2 GLU 38 1HG GLU 38 14.890 10.239 4.711
254 HG3 GLU 38 2HG GLU 38 15.111 11.818 5.463
255 H LYS 39 H LYS 39 11.345 13.771 4.290
256 HA LYS 39 HA LYS 39 13.788 15.320 3.926
257 HB2 LYS 39 1HB LYS 39 11.598 15.069 1.898
258 HB3 LYS 39 2HB LYS 39 12.468 16.590 2.049
259 HG2 LYS 39 1HG LYS 39 14.439 15.699 1.282
260 HG3 LYS 39 2HG LYS 39 14.012 14.057 1.770
261 HD2 LYS 39 1HD LYS 39 13.792 13.940 -0.527
262 HD3 LYS 39 2HD LYS 39 12.139 14.307 -0.027
263 HE2 LYS 39 1HE LYS 39 12.283 16.514 -0.734
264 HE3 LYS 39 2HE LYS 39 14.045 16.516 -0.692
265 HZ1 LYS 39 3HZ LYS 39 12.977 16.449 -2.957
266 HZ2 LYS 39 1HZ LYS 39 12.510 14.861 -2.607
267 HZ3 LYS 39 2HZ LYS 39 14.151 15.268 -2.661
268 HA PRO 40 HA PRO 40 11.668 18.119 6.578
269 HB2 PRO 40 1HB PRO 40 13.046 20.390 6.018
270 HB3 PRO 40 2HB PRO 40 13.723 19.068 6.976
271 HG2 PRO 40 1HG PRO 40 14.132 19.712 4.081
272 HG3 PRO 40 2HG PRO 40 15.323 19.211 5.295
273 HD2 PRO 40 1HD PRO 40 14.280 17.492 3.482
274 HD3 PRO 40 2HD PRO 40 14.757 16.984 5.115
275 H SER 41 H SER 41 10.053 19.652 6.544
276 HA SER 41 HA SER 41 8.548 19.966 4.216
277 HB2 SER 41 1HB SER 41 7.933 20.309 6.753
278 HB3 SER 41 2HB SER 41 8.352 21.989 6.416
279 HG SER 41 HG SER 41 6.849 21.376 4.443
280 H GLY 42 H GLY 42 8.194 21.719 2.831
281 HA2 GLY 42 1HA GLY 42 10.479 23.141 2.026
282 HA3 GLY 42 2HA GLY 42 8.836 23.472 1.497
283 HA PRO 43 HA PRO 43 10.550 26.946 4.198
284 HB2 PRO 43 1HB PRO 43 10.600 28.863 2.275
285 HB3 PRO 43 2HB PRO 43 11.972 27.798 2.606
286 HG2 PRO 43 1HG PRO 43 9.896 27.601 0.458
287 HG3 PRO 43 2HG PRO 43 11.648 27.352 0.347
288 HD2 PRO 43 1HD PRO 43 9.892 25.297 0.504
289 HD3 PRO 43 2HD PRO 43 11.525 25.213 1.195
290 H SER 44 H SER 44 7.846 26.158 2.373
291 HA SER 44 HA SER 44 6.257 28.401 2.309
292 HB2 SER 44 1HB SER 44 5.551 25.511 2.813
293 HB3 SER 44 2HB SER 44 4.321 26.765 2.651
294 HG SER 44 HG SER 44 5.815 25.537 0.733
295 H SER 45 H SER 45 6.309 26.005 4.953
296 HA SER 45 HA SER 45 5.908 26.195 7.185
297 HB2 SER 45 1HB SER 45 7.621 27.965 7.111
298 HB3 SER 45 2HB SER 45 6.378 29.150 6.711
299 HG SER 45 HG SER 45 5.418 28.142 8.808
300 H GLY 46 H GLY 46 3.704 26.015 5.552
301 HA2 GLY 46 1HA GLY 46 1.719 27.909 5.704
302 HA3 GLY 46 2HA GLY 46 1.416 26.178 5.728
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -27.333 -13.384 2.870
2 HA2 GLY 1 1HA GLY 1 -26.555 -14.066 4.920
3 HA3 GLY 1 2HA GLY 1 -25.599 -15.228 4.012
4 H SER 2 H SER 2 -24.707 -14.114 6.397
5 HA SER 2 HA SER 2 -22.358 -12.649 5.434
6 HB2 SER 2 1HB SER 2 -24.113 -11.096 6.476
7 HB3 SER 2 2HB SER 2 -23.723 -11.873 8.010
8 HG SER 2 HG SER 2 -21.598 -10.942 6.468
9 H SER 3 H SER 3 -20.670 -13.878 5.903
10 HA SER 3 HA SER 3 -20.506 -15.097 8.568
11 HB2 SER 3 1HB SER 3 -19.474 -17.129 7.519
12 HB3 SER 3 2HB SER 3 -21.179 -16.911 7.125
13 HG SER 3 HG SER 3 -18.951 -16.791 5.496
14 H GLY 4 H GLY 4 -18.587 -14.835 9.549
15 HA2 GLY 4 1HA GLY 4 -16.534 -13.345 8.115
16 HA3 GLY 4 2HA GLY 4 -16.598 -13.628 9.849
17 H SER 5 H SER 5 -16.481 -15.710 6.954
18 HA SER 5 HA SER 5 -14.269 -17.174 8.238
19 HB2 SER 5 1HB SER 5 -16.285 -18.547 7.978
20 HB3 SER 5 2HB SER 5 -16.315 -18.193 6.251
21 HG SER 5 HG SER 5 -15.315 -20.239 6.888
22 H SER 6 H SER 6 -15.580 -16.284 5.049
23 HA SER 6 HA SER 6 -12.881 -15.696 4.128
24 HB2 SER 6 1HB SER 6 -14.652 -17.807 2.901
25 HB3 SER 6 2HB SER 6 -13.365 -17.019 1.990
26 HG SER 6 HG SER 6 -12.128 -17.700 4.075
27 H GLY 7 H GLY 7 -12.856 -14.524 2.077
28 HA2 GLY 7 1HA GLY 7 -13.604 -12.860 0.684
29 HA3 GLY 7 2HA GLY 7 -15.181 -13.632 0.771
30 H THR 8 H THR 8 -13.220 -12.073 3.291
31 HA THR 8 HA THR 8 -15.107 -9.870 3.464
32 HB THR 8 HB THR 8 -14.635 -11.684 5.837
33 HG1 THR 8 HG1 THR 8 -17.008 -11.207 4.326
34 HG21 THR 8 3HG2 THR 8 -16.213 -10.254 7.002
35 HG22 THR 8 1HG2 THR 8 -16.409 -9.255 5.563
36 HG23 THR 8 2HG2 THR 8 -14.862 -9.290 6.409
37 H GLY 9 H GLY 9 -14.032 -8.047 3.858
38 HA2 GLY 9 1HA GLY 9 -12.208 -6.677 4.225
39 HA3 GLY 9 2HA GLY 9 -12.226 -7.461 5.797
40 H GLU 10 H GLU 10 -11.356 -8.619 2.543
41 HA GLU 10 HA GLU 10 -9.184 -10.161 3.464
42 HB2 GLU 10 1HB GLU 10 -10.390 -10.537 1.318
43 HB3 GLU 10 2HB GLU 10 -9.635 -9.085 0.676
44 HG2 GLU 10 1HG GLU 10 -7.493 -10.057 0.711
45 HG3 GLU 10 2HG GLU 10 -8.033 -11.395 1.724
46 H LYS 11 H LYS 11 -6.913 -9.828 2.504
47 HA LYS 11 HA LYS 11 -6.124 -7.022 2.941
48 HB2 LYS 11 1HB LYS 11 -3.868 -8.127 3.577
49 HB3 LYS 11 2HB LYS 11 -5.186 -8.162 4.740
50 HG2 LYS 11 1HG LYS 11 -5.697 -10.442 4.171
51 HG3 LYS 11 2HG LYS 11 -4.503 -10.421 2.870
52 HD2 LYS 11 1HD LYS 11 -3.247 -11.411 4.494
53 HD3 LYS 11 2HD LYS 11 -2.902 -9.721 4.872
54 HE2 LYS 11 1HE LYS 11 -3.436 -10.613 6.945
55 HE3 LYS 11 2HE LYS 11 -4.960 -9.894 6.426
56 HZ1 LYS 11 3HZ LYS 11 -4.380 -12.601 7.030
57 HZ2 LYS 11 1HZ LYS 11 -4.966 -12.473 5.448
58 HZ3 LYS 11 2HZ LYS 11 -5.878 -11.871 6.740
59 HA PRO 12 HA PRO 12 -4.879 -8.518 -1.361
60 HB2 PRO 12 1HB PRO 12 -6.339 -6.706 -2.759
61 HB3 PRO 12 2HB PRO 12 -6.971 -8.287 -2.283
62 HG2 PRO 12 1HG PRO 12 -7.386 -5.616 -0.997
63 HG3 PRO 12 2HG PRO 12 -8.565 -6.903 -1.308
64 HD2 PRO 12 1HD PRO 12 -7.445 -6.511 1.126
65 HD3 PRO 12 2HD PRO 12 -7.913 -8.119 0.538
66 H TYR 13 H TYR 13 -4.486 -5.964 0.678
67 HA TYR 13 HA TYR 13 -2.898 -4.411 -1.252
68 HB2 TYR 13 1HB TYR 13 -3.791 -3.514 1.490
69 HB3 TYR 13 2HB TYR 13 -3.121 -2.520 0.201
70 HD1 TYR 13 HD2 TYR 13 -4.488 -1.895 -1.727
71 HD2 TYR 13 HD1 TYR 13 -6.109 -4.197 1.463
72 HE1 TYR 13 HE2 TYR 13 -6.759 -1.407 -2.536
73 HE2 TYR 13 HE1 TYR 13 -8.384 -3.717 0.662
74 HH TYR 13 HH TYR 13 -8.982 -2.246 -2.397
75 H GLU 14 H GLU 14 -0.823 -4.957 -1.236
76 HA GLU 14 HA GLU 14 0.489 -5.373 1.366
77 HB2 GLU 14 1HB GLU 14 0.178 -7.531 0.194
78 HB3 GLU 14 2HB GLU 14 1.077 -6.897 -1.177
79 HG2 GLU 14 1HG GLU 14 3.000 -6.537 0.430
80 HG3 GLU 14 2HG GLU 14 2.088 -7.513 1.579
81 H CYS 15 H CYS 15 2.593 -4.606 1.565
82 HA CYS 15 HA CYS 15 3.262 -2.451 -0.241
83 HB2 CYS 15 1HB CYS 15 3.457 -2.317 2.279
84 HB3 CYS 15 2HB CYS 15 4.838 -3.402 2.154
85 H ASP 16 H ASP 16 4.774 -2.468 -1.785
86 HA ASP 16 HA ASP 16 6.159 -4.961 -2.331
87 HB2 ASP 16 1HB ASP 16 5.671 -2.428 -3.857
88 HB3 ASP 16 2HB ASP 16 6.962 -3.514 -4.366
89 H VAL 17 H VAL 17 6.879 -3.020 -0.098
90 HA VAL 17 HA VAL 17 9.729 -2.752 -0.801
91 HB VAL 17 HB VAL 17 8.142 -0.940 1.024
92 HG11 VAL 17 1HG1 VAL 17 10.059 -0.107 1.799
93 HG12 VAL 17 2HG1 VAL 17 10.844 -1.528 1.107
94 HG13 VAL 17 3HG1 VAL 17 10.764 -0.026 0.186
95 HG21 VAL 17 3HG2 VAL 17 7.982 -0.857 -1.623
96 HG22 VAL 17 1HG2 VAL 17 8.024 0.610 -0.644
97 HG23 VAL 17 2HG2 VAL 17 9.492 0.035 -1.436
98 H CYS 18 H CYS 18 7.406 -3.210 1.842
99 HA CYS 18 HA CYS 18 9.513 -4.626 3.339
100 HB2 CYS 18 1HB CYS 18 8.311 -4.016 5.395
101 HB3 CYS 18 2HB CYS 18 8.795 -2.588 4.487
102 H ARG 19 H ARG 19 6.725 -5.029 1.592
103 HA ARG 19 HA ARG 19 5.287 -6.762 1.281
104 HB2 ARG 19 1HB ARG 19 7.470 -8.129 2.838
105 HB3 ARG 19 2HB ARG 19 6.033 -8.998 2.317
106 HG2 ARG 19 1HG ARG 19 7.453 -9.457 0.590
107 HG3 ARG 19 2HG ARG 19 6.660 -8.005 -0.026
108 HD2 ARG 19 1HD ARG 19 8.905 -7.571 -0.416
109 HD3 ARG 19 2HD ARG 19 8.606 -6.743 1.112
110 HE ARG 19 HE ARG 19 10.081 -8.167 2.116
111 HH11 ARG 19 1HH1 ARG 19 9.064 -9.556 -0.910
112 HH12 ARG 19 2HH1 ARG 19 10.179 -10.880 -0.827
113 HH21 ARG 19 1HH2 ARG 19 11.553 -9.905 2.237
114 HH22 ARG 19 2HH2 ARG 19 11.593 -11.078 0.964
115 H LYS 20 H LYS 20 4.519 -4.982 3.197
116 HA LYS 20 HA LYS 20 3.603 -6.543 5.496
117 HB2 LYS 20 1HB LYS 20 3.910 -3.641 4.905
118 HB3 LYS 20 2HB LYS 20 2.651 -4.112 6.039
119 HG2 LYS 20 1HG LYS 20 4.395 -5.348 7.335
120 HG3 LYS 20 2HG LYS 20 5.605 -4.631 6.268
121 HD2 LYS 20 1HD LYS 20 5.151 -2.458 7.034
122 HD3 LYS 20 2HD LYS 20 3.620 -2.944 7.765
123 HE2 LYS 20 1HE LYS 20 4.903 -4.338 9.376
124 HE3 LYS 20 2HE LYS 20 6.392 -3.684 8.694
125 HZ1 LYS 20 3HZ LYS 20 5.416 -2.593 10.780
126 HZ2 LYS 20 1HZ LYS 20 4.297 -1.884 9.728
127 HZ3 LYS 20 2HZ LYS 20 5.950 -1.587 9.529
128 H ALA 21 H ALA 21 1.290 -5.840 6.237
129 HA ALA 21 HA ALA 21 -0.497 -5.878 3.894
130 HB1 ALA 21 3HB ALA 21 -0.156 -7.906 5.839
131 HB2 ALA 21 1HB ALA 21 -1.750 -7.192 6.083
132 HB3 ALA 21 2HB ALA 21 -1.309 -7.848 4.506
133 H PHE 22 H PHE 22 -2.232 -4.549 3.951
134 HA PHE 22 HA PHE 22 -2.806 -3.136 6.466
135 HB2 PHE 22 1HB PHE 22 -2.681 -1.850 3.730
136 HB3 PHE 22 2HB PHE 22 -3.080 -1.040 5.241
137 HD1 PHE 22 HD1 PHE 22 -0.363 -2.917 3.541
138 HD2 PHE 22 HD2 PHE 22 -1.409 -0.070 6.528
139 HE1 PHE 22 HE1 PHE 22 2.020 -2.417 3.894
140 HE2 PHE 22 HE2 PHE 22 0.972 0.435 6.884
141 HZ PHE 22 HZ PHE 22 2.690 -0.738 5.566
142 H SER 23 H SER 23 -4.813 -3.609 7.041
143 HA SER 23 HA SER 23 -6.751 -4.906 5.673
144 HB2 SER 23 1HB SER 23 -8.418 -3.735 7.161
145 HB3 SER 23 2HB SER 23 -7.049 -4.452 8.011
146 HG SER 23 HG SER 23 -6.111 -2.392 8.122
147 H HIS 24 H HIS 24 -6.438 -1.361 5.815
148 HA HIS 24 HA HIS 24 -8.326 -1.139 3.585
149 HB2 HIS 24 1HB HIS 24 -8.353 0.262 5.833
150 HB3 HIS 24 2HB HIS 24 -7.189 1.256 4.961
151 HD1 HIS 24 HD1 HIS 24 -8.092 2.833 3.219
152 HD2 HIS 24 HD2 HIS 24 -10.953 0.157 4.603
153 HE1 HIS 24 HE1 HIS 24 -10.277 3.629 2.260
154 H HIS 25 H HIS 25 -7.812 0.522 1.908
155 HA HIS 25 HA HIS 25 -5.215 -0.017 0.812
156 HB2 HIS 25 1HB HIS 25 -7.095 0.096 -0.695
157 HB3 HIS 25 2HB HIS 25 -7.494 1.722 -0.148
158 HD1 HIS 25 HD1 HIS 25 -5.199 -0.151 -2.403
159 HD2 HIS 25 HD2 HIS 25 -5.863 3.768 -1.195
160 HE1 HIS 25 HE1 HIS 25 -3.894 1.278 -4.009
161 H ALA 26 H ALA 26 -6.907 2.934 1.865
162 HA ALA 26 HA ALA 26 -4.953 4.806 1.397
163 HB1 ALA 26 3HB ALA 26 -5.968 5.748 3.713
164 HB2 ALA 26 1HB ALA 26 -6.780 5.880 2.153
165 HB3 ALA 26 2HB ALA 26 -7.213 4.582 3.267
166 H SER 27 H SER 27 -5.230 2.589 4.132
167 HA SER 27 HA SER 27 -3.231 3.637 5.763
168 HB2 SER 27 1HB SER 27 -4.189 0.796 5.385
169 HB3 SER 27 2HB SER 27 -3.028 1.261 6.629
170 HG SER 27 HG SER 27 -4.725 2.866 7.231
171 H LEU 28 H LEU 28 -3.012 1.777 2.839
172 HA LEU 28 HA LEU 28 -0.202 1.166 3.209
173 HB2 LEU 28 1HB LEU 28 -1.549 -0.479 2.102
174 HB3 LEU 28 2HB LEU 28 -2.108 0.705 0.923
175 HG LEU 28 HG LEU 28 0.352 0.858 0.204
176 HD11 LEU 28 1HD1 LEU 28 0.868 -0.629 2.363
177 HD12 LEU 28 2HD1 LEU 28 1.874 -0.657 0.915
178 HD13 LEU 28 3HD1 LEU 28 0.667 -1.916 1.174
179 HD21 LEU 28 3HD2 LEU 28 -1.568 -1.358 -0.305
180 HD22 LEU 28 1HD2 LEU 28 0.050 -1.464 -0.998
181 HD23 LEU 28 2HD2 LEU 28 -0.987 -0.092 -1.389
182 H THR 29 H THR 29 -2.144 3.070 0.906
183 HA THR 29 HA THR 29 -0.104 4.189 -0.576
184 HB THR 29 HB THR 29 -2.689 4.440 -0.810
185 HG1 THR 29 HG1 THR 29 -1.414 5.291 -2.396
186 HG21 THR 29 3HG2 THR 29 -3.755 6.128 0.261
187 HG22 THR 29 1HG2 THR 29 -2.334 7.171 0.258
188 HG23 THR 29 2HG2 THR 29 -2.482 5.885 1.456
189 H GLN 30 H GLN 30 -1.083 4.907 2.673
190 HA GLN 30 HA GLN 30 0.422 7.389 2.767
191 HB2 GLN 30 1HB GLN 30 -1.418 5.940 4.605
192 HB3 GLN 30 2HB GLN 30 -0.238 7.028 5.323
193 HG2 GLN 30 1HG GLN 30 -1.088 8.824 3.817
194 HG3 GLN 30 2HG GLN 30 -2.366 7.718 3.315
195 HE21 GLN 30 1HE2 GLN 30 -4.060 7.312 4.670
196 HE22 GLN 30 2HE2 GLN 30 -4.323 8.169 6.147
197 H HIS 31 H HIS 31 0.537 4.202 4.350
198 HA HIS 31 HA HIS 31 2.783 4.506 5.897
199 HB2 HIS 31 1HB HIS 31 1.781 2.459 6.222
200 HB3 HIS 31 2HB HIS 31 1.548 2.178 4.499
201 HD1 HIS 31 HD1 HIS 31 4.227 2.008 7.154
202 HD2 HIS 31 HD2 HIS 31 3.505 0.680 3.284
203 HE1 HIS 31 HE1 HIS 31 6.092 0.404 6.635
204 H GLN 32 H GLN 32 2.634 3.658 2.458
205 HA GLN 32 HA GLN 32 5.155 3.015 1.804
206 HB2 GLN 32 1HB GLN 32 3.263 4.886 0.403
207 HB3 GLN 32 2HB GLN 32 4.823 4.471 -0.295
208 HG2 GLN 32 1HG GLN 32 3.981 2.014 0.166
209 HG3 GLN 32 2HG GLN 32 2.403 2.796 0.084
210 HE21 GLN 32 1HE2 GLN 32 3.419 0.845 -1.720
211 HE22 GLN 32 2HE2 GLN 32 3.518 1.581 -3.279
212 H ARG 33 H ARG 33 4.118 6.106 2.999
213 HA ARG 33 HA ARG 33 6.179 7.769 2.206
214 HB2 ARG 33 1HB ARG 33 4.467 7.680 4.669
215 HB3 ARG 33 2HB ARG 33 5.750 8.874 4.526
216 HG2 ARG 33 1HG ARG 33 4.742 9.793 2.543
217 HG3 ARG 33 2HG ARG 33 3.515 8.525 2.541
218 HD2 ARG 33 1HD ARG 33 3.829 10.860 4.382
219 HD3 ARG 33 2HD ARG 33 2.400 10.313 3.505
220 HE ARG 33 HE ARG 33 1.944 8.828 5.211
221 HH11 ARG 33 1HH1 ARG 33 5.091 10.247 5.663
222 HH12 ARG 33 2HH1 ARG 33 5.272 9.649 7.279
223 HH21 ARG 33 1HH2 ARG 33 2.171 8.035 7.338
224 HH22 ARG 33 2HH2 ARG 33 3.611 8.390 8.230
225 H VAL 34 H VAL 34 6.033 5.697 5.096
226 HA VAL 34 HA VAL 34 8.353 6.286 6.365
227 HB VAL 34 HB VAL 34 8.435 4.059 7.225
228 HG11 VAL 34 1HG1 VAL 34 6.488 5.486 7.848
229 HG12 VAL 34 2HG1 VAL 34 5.540 4.641 6.623
230 HG13 VAL 34 3HG1 VAL 34 6.191 3.755 8.002
231 HG21 VAL 34 3HG2 VAL 34 6.724 3.272 4.869
232 HG22 VAL 34 1HG2 VAL 34 8.404 2.816 5.151
233 HG23 VAL 34 2HG2 VAL 34 7.136 2.215 6.219
234 H HIS 35 H HIS 35 8.023 4.704 3.283
235 HA HIS 35 HA HIS 35 10.871 4.053 3.198
236 HB2 HIS 35 1HB HIS 35 8.764 3.519 1.098
237 HB3 HIS 35 2HB HIS 35 10.377 2.818 1.184
238 HD1 HIS 35 HD1 HIS 35 10.556 1.737 3.949
239 HD2 HIS 35 HD2 HIS 35 7.056 1.527 1.721
240 HE1 HIS 35 HE1 HIS 35 9.233 -0.150 4.953
241 H SER 36 H SER 36 12.127 5.738 2.710
242 HA SER 36 HA SER 36 11.195 7.749 0.810
243 HB2 SER 36 1HB SER 36 13.216 9.008 1.513
244 HB3 SER 36 2HB SER 36 12.185 8.576 2.877
245 HG SER 36 HG SER 36 14.689 7.548 2.136
246 H GLY 37 H GLY 37 11.609 7.465 -1.274
247 HA2 GLY 37 1HA GLY 37 13.590 5.603 -2.194
248 HA3 GLY 37 2HA GLY 37 12.568 6.621 -3.199
249 H GLU 38 H GLU 38 14.607 6.772 -4.455
250 HA GLU 38 HA GLU 38 16.707 8.406 -3.311
251 HB2 GLU 38 1HB GLU 38 17.828 8.122 -5.457
252 HB3 GLU 38 2HB GLU 38 17.275 6.571 -4.841
253 HG2 GLU 38 1HG GLU 38 15.598 8.118 -6.770
254 HG3 GLU 38 2HG GLU 38 16.948 7.137 -7.337
255 H LYS 39 H LYS 39 14.281 9.739 -3.283
256 HA LYS 39 HA LYS 39 14.430 11.651 -5.503
257 HB2 LYS 39 1HB LYS 39 12.222 10.723 -5.093
258 HB3 LYS 39 2HB LYS 39 12.300 11.208 -3.404
259 HG2 LYS 39 1HG LYS 39 11.045 12.913 -4.211
260 HG3 LYS 39 2HG LYS 39 12.648 13.598 -4.492
261 HD2 LYS 39 1HD LYS 39 11.732 13.933 -6.556
262 HD3 LYS 39 2HD LYS 39 12.387 12.311 -6.795
263 HE2 LYS 39 1HE LYS 39 10.172 12.279 -7.637
264 HE3 LYS 39 2HE LYS 39 10.136 11.423 -6.096
265 HZ1 LYS 39 3HZ LYS 39 9.631 14.224 -5.805
266 HZ2 LYS 39 1HZ LYS 39 8.731 12.904 -5.250
267 HZ3 LYS 39 2HZ LYS 39 8.505 13.479 -6.824
268 HA PRO 40 HA PRO 40 16.426 14.632 -2.939
269 HB2 PRO 40 1HB PRO 40 15.840 16.852 -4.387
270 HB3 PRO 40 2HB PRO 40 17.048 15.666 -4.894
271 HG2 PRO 40 1HG PRO 40 14.207 15.977 -5.787
272 HG3 PRO 40 2HG PRO 40 15.655 15.647 -6.756
273 HD2 PRO 40 1HD PRO 40 13.909 13.706 -6.038
274 HD3 PRO 40 2HD PRO 40 15.647 13.402 -6.233
275 H SER 41 H SER 41 13.178 15.489 -4.133
276 HA SER 41 HA SER 41 12.677 17.259 -1.926
277 HB2 SER 41 1HB SER 41 10.385 17.401 -2.889
278 HB3 SER 41 2HB SER 41 11.646 17.725 -4.078
279 HG SER 41 HG SER 41 10.614 15.125 -3.758
280 H GLY 42 H GLY 42 11.644 16.854 -0.052
281 HA2 GLY 42 1HA GLY 42 9.919 14.600 0.324
282 HA3 GLY 42 2HA GLY 42 11.494 14.350 1.063
283 HA PRO 43 HA PRO 43 8.612 16.627 3.991
284 HB2 PRO 43 1HB PRO 43 8.679 14.770 5.970
285 HB3 PRO 43 2HB PRO 43 7.496 14.732 4.657
286 HG2 PRO 43 1HG PRO 43 10.039 13.182 4.961
287 HG3 PRO 43 2HG PRO 43 8.449 12.626 4.404
288 HD2 PRO 43 1HD PRO 43 10.469 13.209 2.697
289 HD3 PRO 43 2HD PRO 43 8.762 13.462 2.279
290 H SER 44 H SER 44 10.483 18.047 4.058
291 HA SER 44 HA SER 44 12.758 17.396 5.659
292 HB2 SER 44 1HB SER 44 12.822 19.048 3.797
293 HB3 SER 44 2HB SER 44 11.805 20.124 4.755
294 HG SER 44 HG SER 44 14.220 19.126 5.803
295 H SER 45 H SER 45 11.949 16.760 7.672
296 HA SER 45 HA SER 45 11.672 18.829 9.583
297 HB2 SER 45 1HB SER 45 9.352 18.720 8.460
298 HB3 SER 45 2HB SER 45 9.164 17.183 9.304
299 HG SER 45 HG SER 45 8.368 19.098 10.434
300 H GLY 46 H GLY 46 12.938 17.949 11.084
301 HA2 GLY 46 1HA GLY 46 12.261 15.945 12.797
302 HA3 GLY 46 2HA GLY 46 13.074 15.101 11.487
Start of MODEL 18
1 H1 GLY 1 H GLY 1 9.739 -22.790 10.570
2 HA2 GLY 1 1HA GLY 1 10.548 -25.423 11.382
3 HA3 GLY 1 2HA GLY 1 9.659 -24.574 12.638
4 H SER 2 H SER 2 7.523 -24.786 12.635
5 HA SER 2 HA SER 2 6.165 -26.428 10.836
6 HB2 SER 2 1HB SER 2 5.410 -25.844 13.157
7 HB3 SER 2 2HB SER 2 4.918 -24.265 12.546
8 HG SER 2 HG SER 2 3.940 -26.784 11.673
9 H SER 3 H SER 3 4.149 -25.680 9.608
10 HA SER 3 HA SER 3 5.015 -23.773 7.630
11 HB2 SER 3 1HB SER 3 3.042 -24.447 6.387
12 HB3 SER 3 2HB SER 3 3.837 -25.885 7.027
13 HG SER 3 HG SER 3 1.556 -24.581 8.103
14 H GLY 4 H GLY 4 3.425 -22.116 6.802
15 HA2 GLY 4 1HA GLY 4 2.702 -20.392 8.989
16 HA3 GLY 4 2HA GLY 4 2.525 -20.038 7.277
17 H SER 5 H SER 5 0.540 -19.162 8.761
18 HA SER 5 HA SER 5 -1.592 -21.184 8.580
19 HB2 SER 5 1HB SER 5 -1.140 -18.853 10.394
20 HB3 SER 5 2HB SER 5 -2.800 -19.322 10.027
21 HG SER 5 HG SER 5 -1.765 -21.558 10.580
22 H SER 6 H SER 6 -3.278 -20.882 7.246
23 HA SER 6 HA SER 6 -3.155 -19.113 5.112
24 HB2 SER 6 1HB SER 6 -5.530 -20.556 6.306
25 HB3 SER 6 2HB SER 6 -5.589 -19.680 4.776
26 HG SER 6 HG SER 6 -4.471 -21.219 3.838
27 H GLY 7 H GLY 7 -5.261 -18.903 7.986
28 HA2 GLY 7 1HA GLY 7 -6.159 -16.261 7.290
29 HA3 GLY 7 2HA GLY 7 -6.514 -17.127 8.777
30 H THR 8 H THR 8 -3.768 -15.565 7.130
31 HA THR 8 HA THR 8 -2.733 -14.758 9.756
32 HB THR 8 HB THR 8 -1.106 -15.904 8.374
33 HG1 THR 8 HG1 THR 8 0.496 -14.267 8.396
34 HG21 THR 8 3HG2 THR 8 -1.913 -15.551 6.167
35 HG22 THR 8 1HG2 THR 8 -0.330 -14.778 6.247
36 HG23 THR 8 2HG2 THR 8 -1.795 -13.799 6.330
37 H GLY 9 H GLY 9 -4.024 -13.517 6.766
38 HA2 GLY 9 1HA GLY 9 -5.068 -11.203 7.459
39 HA3 GLY 9 2HA GLY 9 -3.367 -10.765 7.515
40 H GLU 10 H GLU 10 -5.103 -12.856 5.231
41 HA GLU 10 HA GLU 10 -3.793 -11.731 2.986
42 HB2 GLU 10 1HB GLU 10 -6.297 -13.421 3.109
43 HB3 GLU 10 2HB GLU 10 -5.372 -13.081 1.654
44 HG2 GLU 10 1HG GLU 10 -3.471 -14.274 2.526
45 HG3 GLU 10 2HG GLU 10 -4.295 -14.524 4.064
46 H LYS 11 H LYS 11 -4.156 -9.815 2.110
47 HA LYS 11 HA LYS 11 -6.906 -8.861 1.829
48 HB2 LYS 11 1HB LYS 11 -4.661 -7.352 3.157
49 HB3 LYS 11 2HB LYS 11 -6.059 -6.535 2.470
50 HG2 LYS 11 1HG LYS 11 -7.535 -7.605 3.998
51 HG3 LYS 11 2HG LYS 11 -6.259 -8.685 4.564
52 HD2 LYS 11 1HD LYS 11 -5.027 -6.545 5.261
53 HD3 LYS 11 2HD LYS 11 -6.583 -5.738 5.050
54 HE2 LYS 11 1HE LYS 11 -6.621 -6.282 7.294
55 HE3 LYS 11 2HE LYS 11 -7.479 -7.642 6.573
56 HZ1 LYS 11 3HZ LYS 11 -5.902 -9.058 7.216
57 HZ2 LYS 11 1HZ LYS 11 -5.354 -7.829 8.242
58 HZ3 LYS 11 2HZ LYS 11 -4.640 -8.044 6.724
59 HA PRO 12 HA PRO 12 -5.643 -7.646 -2.194
60 HB2 PRO 12 1HB PRO 12 -7.196 -5.460 -2.614
61 HB3 PRO 12 2HB PRO 12 -7.839 -7.106 -2.599
62 HG2 PRO 12 1HG PRO 12 -7.867 -5.042 -0.432
63 HG3 PRO 12 2HG PRO 12 -9.160 -6.140 -0.947
64 HD2 PRO 12 1HD PRO 12 -7.632 -6.614 1.237
65 HD3 PRO 12 2HD PRO 12 -8.291 -7.920 0.231
66 H TYR 13 H TYR 13 -5.138 -5.609 0.496
67 HA TYR 13 HA TYR 13 -3.480 -3.774 -1.098
68 HB2 TYR 13 1HB TYR 13 -4.410 -3.352 1.743
69 HB3 TYR 13 2HB TYR 13 -3.703 -2.162 0.656
70 HD1 TYR 13 HD2 TYR 13 -5.027 -1.208 -1.174
71 HD2 TYR 13 HD1 TYR 13 -6.739 -3.954 1.589
72 HE1 TYR 13 HE2 TYR 13 -7.276 -0.545 -1.917
73 HE2 TYR 13 HE1 TYR 13 -8.993 -3.299 0.853
74 HH TYR 13 HH TYR 13 -9.799 -0.718 -0.526
75 H GLU 14 H GLU 14 -1.482 -4.608 -1.202
76 HA GLU 14 HA GLU 14 -0.140 -5.212 1.341
77 HB2 GLU 14 1HB GLU 14 -0.856 -7.263 -0.118
78 HB3 GLU 14 2HB GLU 14 0.515 -6.799 -1.115
79 HG2 GLU 14 1HG GLU 14 1.514 -8.299 0.271
80 HG3 GLU 14 2HG GLU 14 1.784 -6.813 1.180
81 H CYS 15 H CYS 15 1.761 -4.218 1.581
82 HA CYS 15 HA CYS 15 2.663 -2.302 -0.266
83 HB2 CYS 15 1HB CYS 15 3.078 -2.490 2.292
84 HB3 CYS 15 2HB CYS 15 4.453 -3.490 1.834
85 H ASP 16 H ASP 16 5.053 -2.277 -0.988
86 HA ASP 16 HA ASP 16 5.583 -4.828 -2.355
87 HB2 ASP 16 1HB ASP 16 6.562 -2.075 -3.135
88 HB3 ASP 16 2HB ASP 16 6.700 -3.555 -4.080
89 H VAL 17 H VAL 17 7.122 -2.160 -0.616
90 HA VAL 17 HA VAL 17 9.739 -3.282 -0.673
91 HB VAL 17 HB VAL 17 8.565 -1.197 1.172
92 HG11 VAL 17 1HG1 VAL 17 11.404 -1.016 0.801
93 HG12 VAL 17 2HG1 VAL 17 10.480 -1.167 2.297
94 HG13 VAL 17 3HG1 VAL 17 10.975 -2.613 1.415
95 HG21 VAL 17 3HG2 VAL 17 10.482 -0.576 -1.016
96 HG22 VAL 17 1HG2 VAL 17 8.800 -0.892 -1.440
97 HG23 VAL 17 2HG2 VAL 17 9.197 0.414 -0.324
98 H CYS 18 H CYS 18 7.575 -2.776 2.121
99 HA CYS 18 HA CYS 18 8.966 -4.818 3.620
100 HB2 CYS 18 1HB CYS 18 7.636 -4.144 5.481
101 HB3 CYS 18 2HB CYS 18 8.078 -2.673 4.620
102 H ARG 19 H ARG 19 6.097 -4.550 1.708
103 HA ARG 19 HA ARG 19 4.572 -6.090 1.014
104 HB2 ARG 19 1HB ARG 19 6.351 -8.125 2.367
105 HB3 ARG 19 2HB ARG 19 5.120 -8.450 1.155
106 HG2 ARG 19 1HG ARG 19 7.536 -6.737 0.640
107 HG3 ARG 19 2HG ARG 19 7.480 -8.472 0.325
108 HD2 ARG 19 1HD ARG 19 5.583 -6.449 -0.859
109 HD3 ARG 19 2HD ARG 19 7.013 -7.078 -1.676
110 HE ARG 19 HE ARG 19 4.499 -8.431 -1.280
111 HH11 ARG 19 1HH1 ARG 19 7.896 -8.789 -1.948
112 HH12 ARG 19 2HH1 ARG 19 7.717 -10.336 -2.708
113 HH21 ARG 19 1HH2 ARG 19 4.249 -10.466 -2.279
114 HH22 ARG 19 2HH2 ARG 19 5.642 -11.288 -2.896
115 H LYS 20 H LYS 20 3.922 -4.710 3.261
116 HA LYS 20 HA LYS 20 2.897 -6.654 5.195
117 HB2 LYS 20 1HB LYS 20 4.114 -4.557 5.927
118 HB3 LYS 20 2HB LYS 20 2.728 -3.643 5.346
119 HG2 LYS 20 1HG LYS 20 1.284 -4.778 6.931
120 HG3 LYS 20 2HG LYS 20 2.641 -5.762 7.486
121 HD2 LYS 20 1HD LYS 20 3.750 -3.864 8.394
122 HD3 LYS 20 2HD LYS 20 2.626 -2.752 7.610
123 HE2 LYS 20 1HE LYS 20 1.773 -4.778 9.665
124 HE3 LYS 20 2HE LYS 20 2.265 -3.138 10.081
125 HZ1 LYS 20 3HZ LYS 20 0.498 -2.454 8.373
126 HZ2 LYS 20 1HZ LYS 20 -0.020 -2.985 9.894
127 HZ3 LYS 20 2HZ LYS 20 -0.101 -4.025 8.563
128 H ALA 21 H ALA 21 0.671 -6.554 5.883
129 HA ALA 21 HA ALA 21 -1.117 -5.876 3.658
130 HB1 ALA 21 3HB ALA 21 -2.688 -7.293 5.319
131 HB2 ALA 21 1HB ALA 21 -1.673 -8.021 4.074
132 HB3 ALA 21 2HB ALA 21 -1.111 -7.957 5.745
133 H PHE 22 H PHE 22 -2.989 -4.668 3.960
134 HA PHE 22 HA PHE 22 -3.394 -3.416 6.574
135 HB2 PHE 22 1HB PHE 22 -3.304 -1.792 4.028
136 HB3 PHE 22 2HB PHE 22 -3.453 -1.192 5.677
137 HD1 PHE 22 HD1 PHE 22 -1.147 -2.997 3.397
138 HD2 PHE 22 HD2 PHE 22 -1.562 -0.611 6.897
139 HE1 PHE 22 HE1 PHE 22 1.299 -2.773 3.530
140 HE2 PHE 22 HE2 PHE 22 0.884 -0.383 7.036
141 HZ PHE 22 HZ PHE 22 2.318 -1.464 5.350
142 H SER 23 H SER 23 -5.488 -2.356 6.780
143 HA SER 23 HA SER 23 -7.560 -3.926 5.597
144 HB2 SER 23 1HB SER 23 -7.615 -3.001 7.936
145 HB3 SER 23 2HB SER 23 -7.873 -1.403 7.237
146 HG SER 23 HG SER 23 -9.859 -1.954 6.655
147 H HIS 24 H HIS 24 -7.042 -0.394 5.596
148 HA HIS 24 HA HIS 24 -8.472 -0.271 3.029
149 HB2 HIS 24 1HB HIS 24 -9.203 1.078 5.136
150 HB3 HIS 24 2HB HIS 24 -7.856 2.134 4.718
151 HD1 HIS 24 HD1 HIS 24 -9.601 4.035 4.254
152 HD2 HIS 24 HD2 HIS 24 -9.892 0.742 1.738
153 HE1 HIS 24 HE1 HIS 24 -11.047 4.780 2.336
154 H HIS 25 H HIS 25 -7.586 0.766 1.267
155 HA HIS 25 HA HIS 25 -4.942 0.552 0.704
156 HB2 HIS 25 1HB HIS 25 -5.267 2.149 -1.105
157 HB3 HIS 25 2HB HIS 25 -6.683 1.112 -0.960
158 HD1 HIS 25 HD1 HIS 25 -8.770 2.248 0.344
159 HD2 HIS 25 HD2 HIS 25 -5.806 4.815 -1.029
160 HE1 HIS 25 HE1 HIS 25 -9.812 4.537 0.340
161 H ALA 26 H ALA 26 -6.505 3.555 1.825
162 HA ALA 26 HA ALA 26 -4.545 5.349 1.938
163 HB1 ALA 26 3HB ALA 26 -6.853 4.808 3.582
164 HB2 ALA 26 1HB ALA 26 -5.556 5.542 4.525
165 HB3 ALA 26 2HB ALA 26 -6.165 6.353 3.081
166 H SER 27 H SER 27 -5.008 3.208 4.755
167 HA SER 27 HA SER 27 -2.817 3.706 6.212
168 HB2 SER 27 1HB SER 27 -4.638 1.797 6.395
169 HB3 SER 27 2HB SER 27 -3.358 0.810 5.690
170 HG SER 27 HG SER 27 -2.865 0.662 7.762
171 H LEU 28 H LEU 28 -2.845 1.587 3.363
172 HA LEU 28 HA LEU 28 -0.050 1.028 3.479
173 HB2 LEU 28 1HB LEU 28 -1.312 -0.589 2.380
174 HB3 LEU 28 2HB LEU 28 -2.206 0.609 1.445
175 HG LEU 28 HG LEU 28 -0.137 1.043 0.135
176 HD11 LEU 28 1HD1 LEU 28 1.105 -1.478 0.945
177 HD12 LEU 28 2HD1 LEU 28 1.159 -0.215 2.174
178 HD13 LEU 28 3HD1 LEU 28 1.836 0.083 0.573
179 HD21 LEU 28 3HD2 LEU 28 -0.275 -1.712 -0.484
180 HD22 LEU 28 1HD2 LEU 28 -1.083 -0.367 -1.290
181 HD23 LEU 28 2HD2 LEU 28 -1.882 -1.206 0.041
182 H THR 29 H THR 29 -2.052 3.290 1.640
183 HA THR 29 HA THR 29 -0.079 4.295 -0.065
184 HB THR 29 HB THR 29 -2.593 5.532 1.038
185 HG1 THR 29 HG1 THR 29 -2.915 5.369 -1.425
186 HG21 THR 29 3HG2 THR 29 -0.361 6.888 -0.192
187 HG22 THR 29 1HG2 THR 29 -1.847 7.559 0.477
188 HG23 THR 29 2HG2 THR 29 -1.803 7.011 -1.198
189 H GLN 30 H GLN 30 -1.251 5.677 3.010
190 HA GLN 30 HA GLN 30 0.671 7.727 3.140
191 HB2 GLN 30 1HB GLN 30 -1.533 7.403 4.476
192 HB3 GLN 30 2HB GLN 30 -0.534 6.481 5.591
193 HG2 GLN 30 1HG GLN 30 0.843 8.381 6.037
194 HG3 GLN 30 2HG GLN 30 0.045 9.315 4.772
195 HE21 GLN 30 1HE2 GLN 30 0.291 9.108 7.951
196 HE22 GLN 30 2HE2 GLN 30 -1.290 9.602 8.441
197 H HIS 31 H HIS 31 0.643 4.434 4.413
198 HA HIS 31 HA HIS 31 2.940 4.565 5.994
199 HB2 HIS 31 1HB HIS 31 1.785 2.604 6.336
200 HB3 HIS 31 2HB HIS 31 1.452 2.375 4.622
201 HD1 HIS 31 HD1 HIS 31 4.250 1.963 7.129
202 HD2 HIS 31 HD2 HIS 31 3.190 0.709 3.313
203 HE1 HIS 31 HE1 HIS 31 5.940 0.209 6.504
204 H GLN 32 H GLN 32 2.599 3.623 2.580
205 HA GLN 32 HA GLN 32 5.031 2.846 1.824
206 HB2 GLN 32 1HB GLN 32 3.142 4.756 0.502
207 HB3 GLN 32 2HB GLN 32 4.694 4.412 -0.249
208 HG2 GLN 32 1HG GLN 32 4.059 1.953 -0.039
209 HG3 GLN 32 2HG GLN 32 2.428 2.531 0.302
210 HE21 GLN 32 1HE2 GLN 32 3.941 1.129 -2.015
211 HE22 GLN 32 2HE2 GLN 32 3.347 1.954 -3.411
212 H ARG 33 H ARG 33 4.209 6.133 2.761
213 HA ARG 33 HA ARG 33 6.309 7.629 1.954
214 HB2 ARG 33 1HB ARG 33 4.807 7.585 4.547
215 HB3 ARG 33 2HB ARG 33 6.159 8.691 4.342
216 HG2 ARG 33 1HG ARG 33 4.936 9.400 2.174
217 HG3 ARG 33 2HG ARG 33 3.532 8.639 2.925
218 HD2 ARG 33 1HD ARG 33 3.406 10.900 3.545
219 HD3 ARG 33 2HD ARG 33 4.044 10.070 4.964
220 HE ARG 33 HE ARG 33 6.030 11.199 4.702
221 HH11 ARG 33 1HH1 ARG 33 4.056 11.619 1.865
222 HH12 ARG 33 2HH1 ARG 33 5.071 12.846 1.181
223 HH21 ARG 33 1HH2 ARG 33 7.374 12.813 3.812
224 HH22 ARG 33 2HH2 ARG 33 6.958 13.524 2.289
225 H VAL 34 H VAL 34 6.332 5.699 4.956
226 HA VAL 34 HA VAL 34 8.811 6.110 5.917
227 HB VAL 34 HB VAL 34 8.874 3.787 6.709
228 HG11 VAL 34 1HG1 VAL 34 6.350 5.372 6.880
229 HG12 VAL 34 2HG1 VAL 34 6.444 3.793 7.662
230 HG13 VAL 34 3HG1 VAL 34 7.574 5.071 8.113
231 HG21 VAL 34 3HG2 VAL 34 6.626 2.521 5.998
232 HG22 VAL 34 1HG2 VAL 34 6.921 3.431 4.516
233 HG23 VAL 34 2HG2 VAL 34 8.149 2.325 5.132
234 H HIS 35 H HIS 35 8.026 4.102 3.118
235 HA HIS 35 HA HIS 35 10.782 3.339 2.708
236 HB2 HIS 35 1HB HIS 35 8.441 2.958 0.834
237 HB3 HIS 35 2HB HIS 35 9.977 2.097 0.804
238 HD1 HIS 35 HD1 HIS 35 10.116 1.416 3.850
239 HD2 HIS 35 HD2 HIS 35 6.794 0.850 1.421
240 HE1 HIS 35 HE1 HIS 35 8.756 -0.373 4.978
241 H SER 36 H SER 36 12.238 4.368 1.499
242 HA SER 36 HA SER 36 11.516 6.868 0.248
243 HB2 SER 36 1HB SER 36 13.659 6.399 1.586
244 HB3 SER 36 2HB SER 36 14.235 5.569 0.141
245 HG SER 36 HG SER 36 13.489 8.292 0.396
246 H GLY 37 H GLY 37 13.162 3.902 -0.872
247 HA2 GLY 37 1HA GLY 37 11.799 3.276 -3.091
248 HA3 GLY 37 2HA GLY 37 12.722 4.667 -3.639
249 H GLU 38 H GLU 38 13.113 1.507 -2.061
250 HA GLU 38 HA GLU 38 15.744 1.054 -2.084
251 HB2 GLU 38 1HB GLU 38 13.786 -0.597 -1.698
252 HB3 GLU 38 2HB GLU 38 13.978 -0.990 -3.401
253 HG2 GLU 38 1HG GLU 38 16.328 -1.075 -1.560
254 HG3 GLU 38 2HG GLU 38 15.185 -2.415 -1.617
255 H LYS 39 H LYS 39 17.410 0.883 -3.470
256 HA LYS 39 HA LYS 39 17.548 2.037 -5.892
257 HB2 LYS 39 1HB LYS 39 19.015 -0.451 -5.007
258 HB3 LYS 39 2HB LYS 39 19.452 0.492 -6.426
259 HG2 LYS 39 1HG LYS 39 19.253 1.839 -3.773
260 HG3 LYS 39 2HG LYS 39 20.678 0.873 -4.163
261 HD2 LYS 39 1HD LYS 39 19.647 3.019 -5.998
262 HD3 LYS 39 2HD LYS 39 20.780 3.367 -4.690
263 HE2 LYS 39 1HE LYS 39 21.336 1.210 -6.698
264 HE3 LYS 39 2HE LYS 39 21.717 2.896 -7.044
265 HZ1 LYS 39 3HZ LYS 39 23.020 1.039 -5.248
266 HZ2 LYS 39 1HZ LYS 39 22.797 2.593 -4.617
267 HZ3 LYS 39 2HZ LYS 39 23.649 2.382 -6.062
268 HA PRO 40 HA PRO 40 14.680 -0.645 -8.152
269 HB2 PRO 40 1HB PRO 40 14.229 1.156 -10.132
270 HB3 PRO 40 2HB PRO 40 13.404 1.219 -8.570
271 HG2 PRO 40 1HG PRO 40 15.770 2.784 -9.527
272 HG3 PRO 40 2HG PRO 40 14.357 3.340 -8.611
273 HD2 PRO 40 1HD PRO 40 16.742 2.824 -7.439
274 HD3 PRO 40 2HD PRO 40 15.195 2.567 -6.608
275 H SER 41 H SER 41 17.129 1.404 -9.746
276 HA SER 41 HA SER 41 18.340 1.034 -11.672
277 HB2 SER 41 1HB SER 41 19.922 -0.809 -11.406
278 HB3 SER 41 2HB SER 41 19.684 0.009 -9.862
279 HG SER 41 HG SER 41 19.471 -2.083 -9.351
280 H GLY 42 H GLY 42 15.697 0.439 -12.197
281 HA2 GLY 42 1HA GLY 42 14.425 -0.596 -13.805
282 HA3 GLY 42 2HA GLY 42 15.926 -1.221 -14.473
283 HA PRO 43 HA PRO 43 14.270 -4.407 -11.194
284 HB2 PRO 43 1HB PRO 43 11.630 -4.170 -10.608
285 HB3 PRO 43 2HB PRO 43 12.897 -3.368 -9.672
286 HG2 PRO 43 1HG PRO 43 11.138 -2.253 -11.822
287 HG3 PRO 43 2HG PRO 43 11.613 -1.526 -10.276
288 HD2 PRO 43 1HD PRO 43 12.791 -0.861 -12.622
289 HD3 PRO 43 2HD PRO 43 13.668 -0.858 -11.078
290 H SER 44 H SER 44 13.686 -6.385 -11.922
291 HA SER 44 HA SER 44 13.175 -7.024 -14.471
292 HB2 SER 44 1HB SER 44 12.134 -8.412 -11.998
293 HB3 SER 44 2HB SER 44 12.000 -9.108 -13.613
294 HG SER 44 HG SER 44 14.098 -9.474 -13.648
295 H SER 45 H SER 45 11.740 -6.169 -15.824
296 HA SER 45 HA SER 45 9.115 -5.359 -14.925
297 HB2 SER 45 1HB SER 45 8.831 -4.457 -17.161
298 HB3 SER 45 2HB SER 45 10.427 -4.010 -16.560
299 HG SER 45 HG SER 45 9.728 -5.615 -18.676
300 H GLY 46 H GLY 46 7.138 -6.056 -15.978
301 HA2 GLY 46 1HA GLY 46 6.990 -8.305 -17.671
302 HA3 GLY 46 2HA GLY 46 6.826 -8.837 -16.004
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.603 -28.586 18.474
2 HA2 GLY 1 1HA GLY 1 2.736 -25.799 18.712
3 HA3 GLY 1 2HA GLY 1 2.021 -26.666 17.361
4 H SER 2 H SER 2 1.036 -24.223 18.290
5 HA SER 2 HA SER 2 -1.699 -24.953 18.793
6 HB2 SER 2 1HB SER 2 -1.986 -23.724 20.864
7 HB3 SER 2 2HB SER 2 -0.722 -24.933 21.090
8 HG SER 2 HG SER 2 0.702 -23.398 21.359
9 H SER 3 H SER 3 -2.826 -23.697 17.481
10 HA SER 3 HA SER 3 -2.233 -20.847 17.326
11 HB2 SER 3 1HB SER 3 -2.048 -20.775 14.947
12 HB3 SER 3 2HB SER 3 -0.948 -22.041 15.491
13 HG SER 3 HG SER 3 -2.866 -23.471 15.080
14 H GLY 4 H GLY 4 -3.963 -19.602 16.346
15 HA2 GLY 4 1HA GLY 4 -6.495 -21.008 15.948
16 HA3 GLY 4 2HA GLY 4 -6.422 -19.849 17.268
17 H SER 5 H SER 5 -8.228 -18.921 15.948
18 HA SER 5 HA SER 5 -7.137 -16.831 14.237
19 HB2 SER 5 1HB SER 5 -7.787 -18.680 12.702
20 HB3 SER 5 2HB SER 5 -9.435 -18.579 13.323
21 HG SER 5 HG SER 5 -9.684 -16.626 12.386
22 H SER 6 H SER 6 -8.099 -14.921 14.578
23 HA SER 6 HA SER 6 -10.377 -14.861 16.410
24 HB2 SER 6 1HB SER 6 -8.355 -12.793 15.556
25 HB3 SER 6 2HB SER 6 -9.806 -12.359 16.458
26 HG SER 6 HG SER 6 -7.925 -14.304 17.310
27 H GLY 7 H GLY 7 -9.363 -13.026 13.515
28 HA2 GLY 7 1HA GLY 7 -11.754 -13.475 12.090
29 HA3 GLY 7 2HA GLY 7 -11.881 -11.946 12.947
30 H THR 8 H THR 8 -10.020 -13.730 10.546
31 HA THR 8 HA THR 8 -8.265 -11.694 9.777
32 HB THR 8 HB THR 8 -8.181 -12.901 7.558
33 HG1 THR 8 HG1 THR 8 -9.818 -14.168 7.151
34 HG21 THR 8 3HG2 THR 8 -7.299 -13.713 10.123
35 HG22 THR 8 1HG2 THR 8 -6.581 -14.085 8.556
36 HG23 THR 8 2HG2 THR 8 -7.789 -15.165 9.252
37 H GLY 9 H GLY 9 -8.299 -10.548 7.647
38 HA2 GLY 9 1HA GLY 9 -10.965 -9.888 6.655
39 HA3 GLY 9 2HA GLY 9 -10.047 -8.579 7.385
40 H GLU 10 H GLU 10 -10.964 -8.662 4.690
41 HA GLU 10 HA GLU 10 -9.270 -9.506 2.736
42 HB2 GLU 10 1HB GLU 10 -10.864 -6.974 2.998
43 HB3 GLU 10 2HB GLU 10 -9.877 -7.266 1.572
44 HG2 GLU 10 1HG GLU 10 -11.148 -9.532 1.490
45 HG3 GLU 10 2HG GLU 10 -12.318 -8.697 2.510
46 H LYS 11 H LYS 11 -7.137 -9.393 2.595
47 HA LYS 11 HA LYS 11 -5.816 -6.853 3.288
48 HB2 LYS 11 1HB LYS 11 -3.927 -8.061 4.175
49 HB3 LYS 11 2HB LYS 11 -5.385 -8.621 4.983
50 HG2 LYS 11 1HG LYS 11 -5.302 -10.689 4.003
51 HG3 LYS 11 2HG LYS 11 -4.413 -10.106 2.594
52 HD2 LYS 11 1HD LYS 11 -2.586 -9.620 4.491
53 HD3 LYS 11 2HD LYS 11 -3.423 -10.979 5.245
54 HE2 LYS 11 1HE LYS 11 -2.665 -11.211 2.380
55 HE3 LYS 11 2HE LYS 11 -1.386 -11.329 3.587
56 HZ1 LYS 11 3HZ LYS 11 -2.019 -13.494 3.459
57 HZ2 LYS 11 1HZ LYS 11 -3.627 -13.138 3.071
58 HZ3 LYS 11 2HZ LYS 11 -3.089 -12.987 4.667
59 HA PRO 12 HA PRO 12 -4.813 -8.576 -1.044
60 HB2 PRO 12 1HB PRO 12 -6.272 -6.819 -2.511
61 HB3 PRO 12 2HB PRO 12 -6.912 -8.370 -1.955
62 HG2 PRO 12 1HG PRO 12 -7.291 -5.637 -0.793
63 HG3 PRO 12 2HG PRO 12 -8.485 -6.927 -1.031
64 HD2 PRO 12 1HD PRO 12 -7.337 -6.431 1.370
65 HD3 PRO 12 2HD PRO 12 -7.824 -8.061 0.864
66 H TYR 13 H TYR 13 -4.370 -5.939 0.871
67 HA TYR 13 HA TYR 13 -2.830 -4.458 -1.148
68 HB2 TYR 13 1HB TYR 13 -3.921 -3.626 1.542
69 HB3 TYR 13 2HB TYR 13 -2.808 -2.635 0.604
70 HD1 TYR 13 HD1 TYR 13 -6.196 -4.105 0.654
71 HD2 TYR 13 HD2 TYR 13 -3.566 -1.362 -1.260
72 HE1 TYR 13 HE1 TYR 13 -8.098 -3.152 -0.581
73 HE2 TYR 13 HE2 TYR 13 -5.461 -0.400 -2.499
74 HH TYR 13 HH TYR 13 -8.162 -1.744 -3.059
75 H GLU 14 H GLU 14 -0.702 -4.686 -1.158
76 HA GLU 14 HA GLU 14 0.690 -5.238 1.366
77 HB2 GLU 14 1HB GLU 14 0.764 -6.850 -1.149
78 HB3 GLU 14 2HB GLU 14 2.227 -6.720 -0.184
79 HG2 GLU 14 1HG GLU 14 1.362 -8.581 0.758
80 HG3 GLU 14 2HG GLU 14 0.550 -7.378 1.760
81 H CYS 15 H CYS 15 2.864 -4.543 1.445
82 HA CYS 15 HA CYS 15 3.401 -2.289 -0.306
83 HB2 CYS 15 1HB CYS 15 3.682 -2.236 2.222
84 HB3 CYS 15 2HB CYS 15 5.100 -3.254 1.995
85 H ASP 16 H ASP 16 4.880 -2.235 -1.885
86 HA ASP 16 HA ASP 16 6.231 -4.694 -2.594
87 HB2 ASP 16 1HB ASP 16 5.916 -2.016 -3.935
88 HB3 ASP 16 2HB ASP 16 7.023 -3.234 -4.562
89 H VAL 17 H VAL 17 7.045 -3.108 -0.199
90 HA VAL 17 HA VAL 17 9.891 -2.845 -0.903
91 HB VAL 17 HB VAL 17 8.376 -1.036 0.986
92 HG11 VAL 17 1HG1 VAL 17 11.060 -1.761 1.040
93 HG12 VAL 17 2HG1 VAL 17 11.037 -0.187 0.242
94 HG13 VAL 17 3HG1 VAL 17 10.321 -0.376 1.843
95 HG21 VAL 17 3HG2 VAL 17 7.826 -0.052 -0.972
96 HG22 VAL 17 1HG2 VAL 17 9.460 0.601 -0.857
97 HG23 VAL 17 2HG2 VAL 17 9.147 -0.820 -1.853
98 H CYS 18 H CYS 18 7.592 -3.162 1.797
99 HA CYS 18 HA CYS 18 9.597 -4.803 3.200
100 HB2 CYS 18 1HB CYS 18 8.331 -4.212 5.278
101 HB3 CYS 18 2HB CYS 18 9.089 -2.835 4.486
102 H ARG 19 H ARG 19 6.813 -5.000 1.437
103 HA ARG 19 HA ARG 19 5.324 -6.674 1.043
104 HB2 ARG 19 1HB ARG 19 7.023 -8.282 2.959
105 HB3 ARG 19 2HB ARG 19 5.836 -8.926 1.832
106 HG2 ARG 19 1HG ARG 19 8.202 -7.338 0.897
107 HG3 ARG 19 2HG ARG 19 8.291 -9.078 1.179
108 HD2 ARG 19 1HD ARG 19 6.222 -7.813 -0.602
109 HD3 ARG 19 2HD ARG 19 7.796 -8.343 -1.194
110 HE ARG 19 HE ARG 19 6.479 -10.419 0.228
111 HH11 ARG 19 1HH1 ARG 19 6.516 -8.735 -2.819
112 HH12 ARG 19 2HH1 ARG 19 5.874 -10.073 -3.714
113 HH21 ARG 19 1HH2 ARG 19 5.634 -12.187 -0.940
114 HH22 ARG 19 2HH2 ARG 19 5.372 -12.035 -2.644
115 H LYS 20 H LYS 20 4.848 -4.755 3.120
116 HA LYS 20 HA LYS 20 3.750 -6.016 5.422
117 HB2 LYS 20 1HB LYS 20 3.749 -3.276 4.270
118 HB3 LYS 20 2HB LYS 20 2.479 -3.659 5.424
119 HG2 LYS 20 1HG LYS 20 5.361 -4.195 6.045
120 HG3 LYS 20 2HG LYS 20 4.638 -2.605 6.302
121 HD2 LYS 20 1HD LYS 20 3.367 -5.086 7.411
122 HD3 LYS 20 2HD LYS 20 4.678 -4.272 8.268
123 HE2 LYS 20 1HE LYS 20 3.406 -2.255 8.434
124 HE3 LYS 20 2HE LYS 20 2.158 -2.890 7.364
125 HZ1 LYS 20 3HZ LYS 20 2.689 -4.472 9.734
126 HZ2 LYS 20 1HZ LYS 20 1.214 -4.056 9.016
127 HZ3 LYS 20 2HZ LYS 20 2.006 -2.952 10.023
128 H ALA 21 H ALA 21 1.315 -5.346 5.938
129 HA ALA 21 HA ALA 21 -0.442 -5.764 3.662
130 HB1 ALA 21 3HB ALA 21 -0.137 -8.025 4.079
131 HB2 ALA 21 1HB ALA 21 -0.039 -7.792 5.825
132 HB3 ALA 21 2HB ALA 21 -1.593 -7.650 5.001
133 H PHE 22 H PHE 22 -2.238 -4.597 3.891
134 HA PHE 22 HA PHE 22 -3.132 -3.897 6.604
135 HB2 PHE 22 1HB PHE 22 -3.150 -1.963 4.284
136 HB3 PHE 22 2HB PHE 22 -3.527 -1.618 5.968
137 HD1 PHE 22 HD1 PHE 22 -0.783 -2.617 3.690
138 HD2 PHE 22 HD2 PHE 22 -1.856 -0.959 7.461
139 HE1 PHE 22 HE1 PHE 22 1.566 -1.998 4.083
140 HE2 PHE 22 HE2 PHE 22 0.491 -0.336 7.859
141 HZ PHE 22 HZ PHE 22 2.205 -0.855 6.168
142 H SER 23 H SER 23 -5.396 -2.771 6.404
143 HA SER 23 HA SER 23 -7.068 -4.645 4.926
144 HB2 SER 23 1HB SER 23 -8.924 -3.594 6.265
145 HB3 SER 23 2HB SER 23 -7.666 -4.358 7.237
146 HG SER 23 HG SER 23 -7.594 -2.485 8.189
147 H HIS 24 H HIS 24 -7.110 -1.122 5.502
148 HA HIS 24 HA HIS 24 -8.642 -0.713 3.076
149 HB2 HIS 24 1HB HIS 24 -8.805 0.561 5.382
150 HB3 HIS 24 2HB HIS 24 -7.525 1.548 4.683
151 HD1 HIS 24 HD1 HIS 24 -8.279 3.427 3.252
152 HD2 HIS 24 HD2 HIS 24 -11.204 0.503 3.649
153 HE1 HIS 24 HE1 HIS 24 -10.311 4.347 2.091
154 H HIS 25 H HIS 25 -7.970 0.567 1.315
155 HA HIS 25 HA HIS 25 -5.353 0.120 0.423
156 HB2 HIS 25 1HB HIS 25 -5.941 1.318 -1.509
157 HB3 HIS 25 2HB HIS 25 -7.468 0.647 -0.944
158 HD1 HIS 25 HD1 HIS 25 -8.950 2.417 0.535
159 HD2 HIS 25 HD2 HIS 25 -6.004 3.994 -1.935
160 HE1 HIS 25 HE1 HIS 25 -9.540 4.845 0.250
161 H ALA 26 H ALA 26 -6.840 2.929 1.954
162 HA ALA 26 HA ALA 26 -4.792 4.782 1.593
163 HB1 ALA 26 3HB ALA 26 -6.332 4.728 4.149
164 HB2 ALA 26 1HB ALA 26 -5.871 6.101 3.142
165 HB3 ALA 26 2HB ALA 26 -7.174 5.028 2.628
166 H SER 27 H SER 27 -5.367 2.706 4.440
167 HA SER 27 HA SER 27 -3.284 3.319 6.034
168 HB2 SER 27 1HB SER 27 -4.421 0.608 5.364
169 HB3 SER 27 2HB SER 27 -3.174 0.814 6.594
170 HG SER 27 HG SER 27 -4.563 1.861 7.858
171 H LEU 28 H LEU 28 -3.088 1.708 2.956
172 HA LEU 28 HA LEU 28 -0.323 0.938 3.295
173 HB2 LEU 28 1HB LEU 28 -1.775 -0.464 1.969
174 HB3 LEU 28 2HB LEU 28 -2.151 0.886 0.900
175 HG LEU 28 HG LEU 28 0.284 0.897 0.244
176 HD11 LEU 28 1HD1 LEU 28 1.071 -0.369 2.227
177 HD12 LEU 28 2HD1 LEU 28 1.615 -1.049 0.694
178 HD13 LEU 28 3HD1 LEU 28 0.288 -1.808 1.573
179 HD21 LEU 28 3HD2 LEU 28 -1.230 0.007 -1.316
180 HD22 LEU 28 1HD2 LEU 28 -1.524 -1.431 -0.337
181 HD23 LEU 28 2HD2 LEU 28 0.027 -1.220 -1.149
182 H THR 29 H THR 29 -1.989 3.025 0.927
183 HA THR 29 HA THR 29 0.168 4.244 -0.219
184 HB THR 29 HB THR 29 -2.373 4.587 -0.662
185 HG1 THR 29 HG1 THR 29 -1.165 5.620 -2.105
186 HG21 THR 29 3HG2 THR 29 -2.962 5.578 1.468
187 HG22 THR 29 1HG2 THR 29 -3.202 6.763 0.184
188 HG23 THR 29 2HG2 THR 29 -1.784 6.868 1.228
189 H GLN 30 H GLN 30 -1.336 5.036 2.872
190 HA GLN 30 HA GLN 30 0.278 7.357 3.325
191 HB2 GLN 30 1HB GLN 30 -1.688 5.776 4.918
192 HB3 GLN 30 2HB GLN 30 -0.596 6.857 5.774
193 HG2 GLN 30 1HG GLN 30 -1.403 8.745 4.526
194 HG3 GLN 30 2HG GLN 30 -2.400 7.697 3.518
195 HE21 GLN 30 1HE2 GLN 30 -3.981 9.363 4.350
196 HE22 GLN 30 2HE2 GLN 30 -4.823 8.970 5.806
197 H HIS 31 H HIS 31 0.541 3.954 4.025
198 HA HIS 31 HA HIS 31 2.626 4.196 5.963
199 HB2 HIS 31 1HB HIS 31 1.603 2.163 6.217
200 HB3 HIS 31 2HB HIS 31 1.311 1.974 4.490
201 HD1 HIS 31 HD1 HIS 31 3.613 1.007 7.178
202 HD2 HIS 31 HD2 HIS 31 3.613 1.029 3.024
203 HE1 HIS 31 HE1 HIS 31 5.508 -0.499 6.498
204 H GLN 32 H GLN 32 2.590 3.185 2.546
205 HA GLN 32 HA GLN 32 5.125 2.609 1.978
206 HB2 GLN 32 1HB GLN 32 3.157 4.290 0.482
207 HB3 GLN 32 2HB GLN 32 4.790 4.126 -0.149
208 HG2 GLN 32 1HG GLN 32 3.328 1.659 0.614
209 HG3 GLN 32 2HG GLN 32 2.851 2.494 -0.862
210 HE21 GLN 32 1HE2 GLN 32 3.930 -0.090 -0.787
211 HE22 GLN 32 2HE2 GLN 32 5.461 -0.064 -1.588
212 H ARG 33 H ARG 33 3.979 5.800 2.854
213 HA ARG 33 HA ARG 33 5.987 7.471 2.122
214 HB2 ARG 33 1HB ARG 33 4.309 7.332 4.595
215 HB3 ARG 33 2HB ARG 33 5.595 8.527 4.498
216 HG2 ARG 33 1HG ARG 33 3.476 9.485 3.821
217 HG3 ARG 33 2HG ARG 33 4.600 9.437 2.461
218 HD2 ARG 33 1HD ARG 33 2.690 7.180 2.886
219 HD3 ARG 33 2HD ARG 33 2.119 8.678 2.151
220 HE ARG 33 HE ARG 33 3.905 6.726 0.978
221 HH11 ARG 33 1HH1 ARG 33 2.621 9.959 0.845
222 HH12 ARG 33 2HH1 ARG 33 3.002 10.182 -0.830
223 HH21 ARG 33 1HH2 ARG 33 4.412 7.007 -1.228
224 HH22 ARG 33 2HH2 ARG 33 4.020 8.502 -2.009
225 H VAL 34 H VAL 34 6.001 5.401 5.016
226 HA VAL 34 HA VAL 34 8.263 6.022 6.295
227 HB VAL 34 HB VAL 34 8.630 3.665 6.831
228 HG11 VAL 34 1HG1 VAL 34 5.807 4.674 6.748
229 HG12 VAL 34 2HG1 VAL 34 6.205 3.118 7.480
230 HG13 VAL 34 3HG1 VAL 34 6.920 4.600 8.114
231 HG21 VAL 34 3HG2 VAL 34 6.502 2.984 4.814
232 HG22 VAL 34 1HG2 VAL 34 8.228 2.882 4.462
233 HG23 VAL 34 2HG2 VAL 34 7.526 1.880 5.733
234 H HIS 35 H HIS 35 8.112 4.522 3.128
235 HA HIS 35 HA HIS 35 11.021 4.295 3.011
236 HB2 HIS 35 1HB HIS 35 9.090 3.581 0.810
237 HB3 HIS 35 2HB HIS 35 10.727 2.982 1.061
238 HD1 HIS 35 HD1 HIS 35 10.872 1.676 3.592
239 HD2 HIS 35 HD2 HIS 35 7.276 1.723 1.512
240 HE1 HIS 35 HE1 HIS 35 9.528 -0.231 4.530
241 H SER 36 H SER 36 12.272 5.309 1.400
242 HA SER 36 HA SER 36 11.327 7.946 0.704
243 HB2 SER 36 1HB SER 36 13.963 6.518 0.449
244 HB3 SER 36 2HB SER 36 13.691 8.065 -0.353
245 HG SER 36 HG SER 36 13.764 9.051 1.514
246 H GLY 37 H GLY 37 11.876 8.784 -1.558
247 HA2 GLY 37 1HA GLY 37 10.223 7.792 -3.454
248 HA3 GLY 37 2HA GLY 37 11.707 8.642 -3.860
249 H GLU 38 H GLU 38 13.684 7.329 -4.035
250 HA GLU 38 HA GLU 38 13.441 4.486 -4.323
251 HB2 GLU 38 1HB GLU 38 13.886 4.351 -6.702
252 HB3 GLU 38 2HB GLU 38 12.404 5.257 -6.428
253 HG2 GLU 38 1HG GLU 38 13.369 6.602 -7.971
254 HG3 GLU 38 2HG GLU 38 14.068 7.307 -6.514
255 H LYS 39 H LYS 39 15.538 3.606 -5.395
256 HA LYS 39 HA LYS 39 17.769 3.287 -5.006
257 HB2 LYS 39 1HB LYS 39 17.481 5.176 -6.848
258 HB3 LYS 39 2HB LYS 39 18.257 6.166 -5.619
259 HG2 LYS 39 1HG LYS 39 19.436 3.555 -6.500
260 HG3 LYS 39 2HG LYS 39 19.737 5.056 -7.379
261 HD2 LYS 39 1HD LYS 39 20.646 6.072 -5.358
262 HD3 LYS 39 2HD LYS 39 20.304 4.597 -4.449
263 HE2 LYS 39 1HE LYS 39 21.973 3.397 -5.528
264 HE3 LYS 39 2HE LYS 39 22.011 4.497 -6.905
265 HZ1 LYS 39 3HZ LYS 39 23.455 5.850 -5.885
266 HZ2 LYS 39 1HZ LYS 39 23.791 4.514 -4.903
267 HZ3 LYS 39 2HZ LYS 39 22.711 5.702 -4.373
268 HA PRO 40 HA PRO 40 17.558 5.611 -0.898
269 HB2 PRO 40 1HB PRO 40 17.121 3.441 0.673
270 HB3 PRO 40 2HB PRO 40 15.811 4.388 -0.043
271 HG2 PRO 40 1HG PRO 40 17.001 1.800 -0.965
272 HG3 PRO 40 2HG PRO 40 15.296 2.282 -0.884
273 HD2 PRO 40 1HD PRO 40 16.714 2.321 -3.191
274 HD3 PRO 40 2HD PRO 40 15.412 3.478 -2.851
275 H SER 41 H SER 41 19.215 5.648 0.625
276 HA SER 41 HA SER 41 21.495 3.897 0.004
277 HB2 SER 41 1HB SER 41 21.520 6.573 1.419
278 HB3 SER 41 2HB SER 41 22.927 5.645 0.899
279 HG SER 41 HG SER 41 22.514 6.140 -1.169
280 H GLY 42 H GLY 42 22.676 2.918 1.663
281 HA2 GLY 42 1HA GLY 42 21.806 3.211 4.414
282 HA3 GLY 42 2HA GLY 42 21.428 1.659 3.683
283 HA PRO 43 HA PRO 43 26.033 2.166 5.073
284 HB2 PRO 43 1HB PRO 43 25.904 1.660 7.737
285 HB3 PRO 43 2HB PRO 43 25.839 3.293 7.065
286 HG2 PRO 43 1HG PRO 43 23.599 1.536 7.992
287 HG3 PRO 43 2HG PRO 43 23.849 3.270 8.268
288 HD2 PRO 43 1HD PRO 43 22.152 2.324 6.381
289 HD3 PRO 43 2HD PRO 43 23.047 3.845 6.184
290 H SER 44 H SER 44 26.278 0.234 3.939
291 HA SER 44 HA SER 44 26.542 -2.117 5.548
292 HB2 SER 44 1HB SER 44 24.048 -1.981 4.846
293 HB3 SER 44 2HB SER 44 24.633 -2.421 3.242
294 HG SER 44 HG SER 44 25.539 -3.952 5.380
295 H SER 45 H SER 45 27.285 -4.009 4.175
296 HA SER 45 HA SER 45 28.488 -3.244 1.635
297 HB2 SER 45 1HB SER 45 30.725 -3.691 2.249
298 HB3 SER 45 2HB SER 45 30.095 -2.705 3.569
299 HG SER 45 HG SER 45 31.018 -5.260 3.606
300 H GLY 46 H GLY 46 28.202 -4.841 0.231
301 HA2 GLY 46 1HA GLY 46 27.675 -7.540 1.283
302 HA3 GLY 46 2HA GLY 46 27.125 -6.931 -0.271
Start of MODEL 20
1 H1 GLY 1 H GLY 1 11.368 -21.441 19.801
2 HA2 GLY 1 1HA GLY 1 12.702 -21.008 17.465
3 HA3 GLY 1 2HA GLY 1 11.688 -22.417 17.737
4 H SER 2 H SER 2 10.996 -22.551 15.609
5 HA SER 2 HA SER 2 9.681 -20.266 14.394
6 HB2 SER 2 1HB SER 2 9.419 -21.756 12.435
7 HB3 SER 2 2HB SER 2 11.093 -21.675 12.983
8 HG SER 2 HG SER 2 9.597 -23.677 14.142
9 H SER 3 H SER 3 7.621 -19.831 14.766
10 HA SER 3 HA SER 3 5.837 -22.004 15.617
11 HB2 SER 3 1HB SER 3 5.901 -19.058 16.124
12 HB3 SER 3 2HB SER 3 4.346 -19.889 16.167
13 HG SER 3 HG SER 3 4.876 -20.567 18.071
14 H GLY 4 H GLY 4 5.897 -19.141 13.499
15 HA2 GLY 4 1HA GLY 4 4.170 -20.579 11.620
16 HA3 GLY 4 2HA GLY 4 3.606 -19.027 12.224
17 H SER 5 H SER 5 4.055 -19.591 9.503
18 HA SER 5 HA SER 5 6.457 -17.987 8.925
19 HB2 SER 5 1HB SER 5 6.432 -18.990 6.687
20 HB3 SER 5 2HB SER 5 6.479 -20.243 7.927
21 HG SER 5 HG SER 5 4.248 -20.539 7.627
22 H SER 6 H SER 6 6.323 -16.244 7.521
23 HA SER 6 HA SER 6 3.881 -14.808 7.550
24 HB2 SER 6 1HB SER 6 5.083 -13.144 6.183
25 HB3 SER 6 2HB SER 6 6.054 -13.671 7.558
26 HG SER 6 HG SER 6 7.507 -14.223 6.161
27 H GLY 7 H GLY 7 3.150 -13.730 5.368
28 HA2 GLY 7 1HA GLY 7 2.703 -14.056 3.032
29 HA3 GLY 7 2HA GLY 7 3.013 -15.772 3.253
30 H THR 8 H THR 8 0.771 -13.201 4.251
31 HA THR 8 HA THR 8 -1.398 -15.193 4.130
32 HB THR 8 HB THR 8 -2.561 -13.886 5.916
33 HG1 THR 8 HG1 THR 8 -0.071 -12.531 5.906
34 HG21 THR 8 3HG2 THR 8 -1.454 -15.929 6.532
35 HG22 THR 8 1HG2 THR 8 -1.133 -14.729 7.783
36 HG23 THR 8 2HG2 THR 8 0.110 -15.118 6.594
37 H GLY 9 H GLY 9 -2.361 -14.704 2.235
38 HA2 GLY 9 1HA GLY 9 -2.640 -11.987 1.319
39 HA3 GLY 9 2HA GLY 9 -3.269 -13.426 0.530
40 H GLU 10 H GLU 10 -3.833 -12.001 3.746
41 HA GLU 10 HA GLU 10 -6.651 -12.519 3.544
42 HB2 GLU 10 1HB GLU 10 -6.779 -11.480 5.768
43 HB3 GLU 10 2HB GLU 10 -5.527 -12.712 5.695
44 HG2 GLU 10 1HG GLU 10 -3.806 -11.106 5.661
45 HG3 GLU 10 2HG GLU 10 -4.935 -9.793 5.334
46 H LYS 11 H LYS 11 -4.543 -9.829 2.965
47 HA LYS 11 HA LYS 11 -6.889 -8.114 2.469
48 HB2 LYS 11 1HB LYS 11 -4.218 -7.547 3.647
49 HB3 LYS 11 2HB LYS 11 -4.927 -6.302 2.627
50 HG2 LYS 11 1HG LYS 11 -5.718 -5.665 4.668
51 HG3 LYS 11 2HG LYS 11 -7.035 -6.713 4.134
52 HD2 LYS 11 1HD LYS 11 -6.403 -8.440 5.553
53 HD3 LYS 11 2HD LYS 11 -4.752 -7.838 5.712
54 HE2 LYS 11 1HE LYS 11 -7.181 -6.427 6.804
55 HE3 LYS 11 2HE LYS 11 -6.173 -7.527 7.744
56 HZ1 LYS 11 3HZ LYS 11 -5.252 -5.014 6.454
57 HZ2 LYS 11 1HZ LYS 11 -4.285 -6.070 7.355
58 HZ3 LYS 11 2HZ LYS 11 -5.543 -5.227 8.107
59 HA PRO 12 HA PRO 12 -5.752 -8.121 -1.790
60 HB2 PRO 12 1HB PRO 12 -7.069 -5.877 -2.565
61 HB3 PRO 12 2HB PRO 12 -7.893 -7.398 -2.202
62 HG2 PRO 12 1HG PRO 12 -7.546 -4.973 -0.481
63 HG3 PRO 12 2HG PRO 12 -8.987 -5.979 -0.719
64 HD2 PRO 12 1HD PRO 12 -7.386 -6.217 1.452
65 HD3 PRO 12 2HD PRO 12 -8.253 -7.598 0.749
66 H TYR 13 H TYR 13 -5.136 -5.383 0.289
67 HA TYR 13 HA TYR 13 -3.232 -4.275 -1.649
68 HB2 TYR 13 1HB TYR 13 -4.230 -3.078 0.943
69 HB3 TYR 13 2HB TYR 13 -3.223 -2.273 -0.255
70 HD1 TYR 13 HD1 TYR 13 -6.602 -3.501 0.498
71 HD2 TYR 13 HD2 TYR 13 -4.171 -1.411 -2.299
72 HE1 TYR 13 HE1 TYR 13 -8.624 -2.700 -0.651
73 HE2 TYR 13 HE2 TYR 13 -6.185 -0.603 -3.455
74 HH TYR 13 HH TYR 13 -8.882 -1.761 -3.477
75 H GLU 14 H GLU 14 -1.069 -4.077 -1.213
76 HA GLU 14 HA GLU 14 -0.001 -4.763 1.380
77 HB2 GLU 14 1HB GLU 14 -0.347 -6.983 0.395
78 HB3 GLU 14 2HB GLU 14 0.588 -6.509 -1.016
79 HG2 GLU 14 1HG GLU 14 2.533 -6.133 0.523
80 HG3 GLU 14 2HG GLU 14 1.571 -6.879 1.798
81 H CYS 15 H CYS 15 2.176 -4.179 1.635
82 HA CYS 15 HA CYS 15 3.047 -2.088 -0.127
83 HB2 CYS 15 1HB CYS 15 3.335 -2.033 2.360
84 HB3 CYS 15 2HB CYS 15 4.531 -3.316 2.204
85 H ASP 16 H ASP 16 4.441 -2.211 -1.763
86 HA ASP 16 HA ASP 16 5.575 -4.784 -2.456
87 HB2 ASP 16 1HB ASP 16 6.080 -2.260 -3.998
88 HB3 ASP 16 2HB ASP 16 5.936 -3.913 -4.589
89 H VAL 17 H VAL 17 6.586 -3.281 -0.113
90 HA VAL 17 HA VAL 17 9.418 -3.218 -0.909
91 HB VAL 17 HB VAL 17 8.091 -1.277 0.989
92 HG11 VAL 17 1HG1 VAL 17 10.190 -1.533 1.905
93 HG12 VAL 17 2HG1 VAL 17 10.947 -1.865 0.345
94 HG13 VAL 17 3HG1 VAL 17 10.465 -0.219 0.762
95 HG21 VAL 17 3HG2 VAL 17 9.497 -0.613 -1.580
96 HG22 VAL 17 1HG2 VAL 17 7.771 -0.972 -1.526
97 HG23 VAL 17 2HG2 VAL 17 8.416 0.399 -0.622
98 H CYS 18 H CYS 18 7.168 -3.369 1.843
99 HA CYS 18 HA CYS 18 9.106 -5.102 3.227
100 HB2 CYS 18 1HB CYS 18 7.980 -4.425 5.322
101 HB3 CYS 18 2HB CYS 18 8.666 -3.052 4.461
102 H ARG 19 H ARG 19 6.211 -5.103 1.575
103 HA ARG 19 HA ARG 19 4.596 -6.670 1.239
104 HB2 ARG 19 1HB ARG 19 6.344 -8.477 2.918
105 HB3 ARG 19 2HB ARG 19 5.070 -8.980 1.815
106 HG2 ARG 19 1HG ARG 19 7.554 -7.513 0.960
107 HG3 ARG 19 2HG ARG 19 7.373 -9.268 0.929
108 HD2 ARG 19 1HD ARG 19 5.353 -8.930 -0.527
109 HD3 ARG 19 2HD ARG 19 5.797 -7.227 -0.626
110 HE ARG 19 HE ARG 19 8.053 -8.405 -1.424
111 HH11 ARG 19 1HH1 ARG 19 4.737 -8.964 -2.325
112 HH12 ARG 19 2HH1 ARG 19 5.125 -9.486 -3.931
113 HH21 ARG 19 1HH2 ARG 19 8.577 -9.090 -3.536
114 HH22 ARG 19 2HH2 ARG 19 7.309 -9.557 -4.619
115 H LYS 20 H LYS 20 4.021 -4.872 3.169
116 HA LYS 20 HA LYS 20 2.997 -6.371 5.468
117 HB2 LYS 20 1HB LYS 20 4.304 -4.193 5.719
118 HB3 LYS 20 2HB LYS 20 2.884 -3.384 5.069
119 HG2 LYS 20 1HG LYS 20 1.542 -4.231 6.919
120 HG3 LYS 20 2HG LYS 20 2.955 -5.069 7.566
121 HD2 LYS 20 1HD LYS 20 4.067 -2.750 7.578
122 HD3 LYS 20 2HD LYS 20 2.429 -2.118 7.392
123 HE2 LYS 20 1HE LYS 20 1.747 -2.950 9.464
124 HE3 LYS 20 2HE LYS 20 3.091 -4.088 9.553
125 HZ1 LYS 20 3HZ LYS 20 4.418 -2.555 10.456
126 HZ2 LYS 20 1HZ LYS 20 3.001 -1.695 10.792
127 HZ3 LYS 20 2HZ LYS 20 3.904 -1.329 9.410
128 H ALA 21 H ALA 21 0.812 -6.306 6.070
129 HA ALA 21 HA ALA 21 -1.010 -5.862 3.824
130 HB1 ALA 21 3HB ALA 21 -2.475 -6.988 5.889
131 HB2 ALA 21 1HB ALA 21 -1.781 -7.835 4.506
132 HB3 ALA 21 2HB ALA 21 -0.886 -7.741 6.023
133 H PHE 22 H PHE 22 -2.808 -4.546 3.943
134 HA PHE 22 HA PHE 22 -3.127 -2.918 6.366
135 HB2 PHE 22 1HB PHE 22 -3.028 -1.844 3.539
136 HB3 PHE 22 2HB PHE 22 -3.421 -0.900 4.972
137 HD1 PHE 22 HD1 PHE 22 -0.762 -2.563 3.098
138 HD2 PHE 22 HD2 PHE 22 -1.708 -0.259 6.549
139 HE1 PHE 22 HE1 PHE 22 1.628 -2.080 3.426
140 HE2 PHE 22 HE2 PHE 22 0.680 0.230 6.882
141 HZ PHE 22 HZ PHE 22 2.352 -0.681 5.319
142 H SER 23 H SER 23 -5.187 -2.586 6.968
143 HA SER 23 HA SER 23 -7.276 -4.097 5.965
144 HB2 SER 23 1HB SER 23 -7.258 -1.573 7.617
145 HB3 SER 23 2HB SER 23 -8.756 -2.408 7.204
146 HG SER 23 HG SER 23 -7.831 -4.293 8.196
147 H HIS 24 H HIS 24 -6.345 -0.783 5.182
148 HA HIS 24 HA HIS 24 -8.080 -0.929 2.819
149 HB2 HIS 24 1HB HIS 24 -8.332 1.675 3.306
150 HB3 HIS 24 2HB HIS 24 -9.440 0.493 3.994
151 HD1 HIS 24 HD1 HIS 24 -7.374 3.260 4.937
152 HD2 HIS 24 HD2 HIS 24 -8.535 -0.298 6.741
153 HE1 HIS 24 HE1 HIS 24 -6.966 3.589 7.397
154 H HIS 25 H HIS 25 -7.546 1.076 1.356
155 HA HIS 25 HA HIS 25 -4.807 0.822 0.631
156 HB2 HIS 25 1HB HIS 25 -5.399 2.634 -1.045
157 HB3 HIS 25 2HB HIS 25 -6.357 1.160 -1.139
158 HD1 HIS 25 HD1 HIS 25 -6.650 4.777 -0.770
159 HD2 HIS 25 HD2 HIS 25 -9.008 1.453 0.038
160 HE1 HIS 25 HE1 HIS 25 -8.983 5.666 -0.464
161 H ALA 26 H ALA 26 -6.712 3.611 1.776
162 HA ALA 26 HA ALA 26 -4.825 5.552 1.920
163 HB1 ALA 26 3HB ALA 26 -6.582 6.566 2.821
164 HB2 ALA 26 1HB ALA 26 -7.319 5.018 3.236
165 HB3 ALA 26 2HB ALA 26 -6.192 5.787 4.354
166 H SER 27 H SER 27 -5.180 2.819 4.108
167 HA SER 27 HA SER 27 -3.313 3.696 6.049
168 HB2 SER 27 1HB SER 27 -4.671 1.129 5.395
169 HB3 SER 27 2HB SER 27 -3.219 1.044 6.392
170 HG SER 27 HG SER 27 -5.033 2.996 7.115
171 H LEU 28 H LEU 28 -3.021 1.852 3.073
172 HA LEU 28 HA LEU 28 -0.239 1.225 3.521
173 HB2 LEU 28 1HB LEU 28 -1.443 -0.390 2.302
174 HB3 LEU 28 2HB LEU 28 -2.132 0.823 1.225
175 HG LEU 28 HG LEU 28 0.207 1.175 0.331
176 HD11 LEU 28 1HD1 LEU 28 1.375 0.134 2.241
177 HD12 LEU 28 2HD1 LEU 28 1.835 -0.565 0.689
178 HD13 LEU 28 3HD1 LEU 28 0.727 -1.432 1.752
179 HD21 LEU 28 3HD2 LEU 28 -0.652 -1.648 -0.130
180 HD22 LEU 28 1HD2 LEU 28 -0.090 -0.440 -1.286
181 HD23 LEU 28 2HD2 LEU 28 -1.712 -0.320 -0.604
182 H THR 29 H THR 29 -2.039 3.250 1.206
183 HA THR 29 HA THR 29 0.014 4.363 -0.210
184 HB THR 29 HB THR 29 -2.558 4.805 -0.331
185 HG1 THR 29 HG1 THR 29 -1.083 7.120 -0.893
186 HG21 THR 29 3HG2 THR 29 -2.744 5.899 1.851
187 HG22 THR 29 1HG2 THR 29 -3.207 6.996 0.552
188 HG23 THR 29 2HG2 THR 29 -1.628 7.157 1.321
189 H GLN 30 H GLN 30 -1.054 5.218 3.035
190 HA GLN 30 HA GLN 30 0.686 7.488 3.250
191 HB2 GLN 30 1HB GLN 30 -1.502 7.069 4.528
192 HB3 GLN 30 2HB GLN 30 -0.551 6.011 5.562
193 HG2 GLN 30 1HG GLN 30 1.005 8.090 5.778
194 HG3 GLN 30 2HG GLN 30 -0.430 8.972 5.258
195 HE21 GLN 30 1HE2 GLN 30 1.227 8.248 7.882
196 HE22 GLN 30 2HE2 GLN 30 -0.035 8.124 9.055
197 H HIS 31 H HIS 31 0.672 4.236 4.704
198 HA HIS 31 HA HIS 31 3.032 4.387 6.129
199 HB2 HIS 31 1HB HIS 31 1.891 2.434 6.558
200 HB3 HIS 31 2HB HIS 31 1.513 2.155 4.861
201 HD1 HIS 31 HD1 HIS 31 3.857 1.209 7.504
202 HD2 HIS 31 HD2 HIS 31 3.744 1.071 3.354
203 HE1 HIS 31 HE1 HIS 31 5.667 -0.403 6.836
204 H GLN 32 H GLN 32 2.600 3.327 2.759
205 HA GLN 32 HA GLN 32 5.020 2.545 1.965
206 HB2 GLN 32 1HB GLN 32 3.131 4.446 0.604
207 HB3 GLN 32 2HB GLN 32 4.625 3.941 -0.175
208 HG2 GLN 32 1HG GLN 32 2.624 1.966 0.870
209 HG3 GLN 32 2HG GLN 32 2.516 2.654 -0.750
210 HE21 GLN 32 1HE2 GLN 32 2.680 0.232 -1.122
211 HE22 GLN 32 2HE2 GLN 32 4.268 -0.395 -1.380
212 H ARG 33 H ARG 33 4.151 5.951 2.463
213 HA ARG 33 HA ARG 33 6.351 7.284 1.637
214 HB2 ARG 33 1HB ARG 33 4.622 7.662 4.057
215 HB3 ARG 33 2HB ARG 33 6.005 8.717 3.795
216 HG2 ARG 33 1HG ARG 33 3.946 9.704 2.947
217 HG3 ARG 33 2HG ARG 33 5.100 9.402 1.647
218 HD2 ARG 33 1HD ARG 33 3.901 7.326 1.095
219 HD3 ARG 33 2HD ARG 33 2.733 7.678 2.368
220 HE ARG 33 HE ARG 33 1.768 9.278 1.014
221 HH11 ARG 33 1HH1 ARG 33 4.747 8.154 -0.393
222 HH12 ARG 33 2HH1 ARG 33 4.463 8.915 -1.923
223 HH21 ARG 33 1HH2 ARG 33 1.383 10.284 -0.996
224 HH22 ARG 33 2HH2 ARG 33 2.550 10.127 -2.265
225 H VAL 34 H VAL 34 6.056 5.632 4.773
226 HA VAL 34 HA VAL 34 8.302 6.180 6.089
227 HB VAL 34 HB VAL 34 8.448 3.867 6.876
228 HG11 VAL 34 1HG1 VAL 34 6.791 4.951 8.039
229 HG12 VAL 34 2HG1 VAL 34 5.795 5.201 6.604
230 HG13 VAL 34 3HG1 VAL 34 5.883 3.605 7.351
231 HG21 VAL 34 3HG2 VAL 34 6.481 2.413 5.751
232 HG22 VAL 34 1HG2 VAL 34 7.007 3.353 4.354
233 HG23 VAL 34 2HG2 VAL 34 8.164 2.348 5.227
234 H HIS 35 H HIS 35 8.173 4.241 3.148
235 HA HIS 35 HA HIS 35 11.054 3.821 3.196
236 HB2 HIS 35 1HB HIS 35 9.205 3.019 0.961
237 HB3 HIS 35 2HB HIS 35 10.744 2.298 1.424
238 HD1 HIS 35 HD1 HIS 35 10.560 1.303 4.086
239 HD2 HIS 35 HD2 HIS 35 7.148 1.460 1.720
240 HE1 HIS 35 HE1 HIS 35 8.949 -0.328 5.120
241 H SER 36 H SER 36 12.488 4.993 2.087
242 HA SER 36 HA SER 36 11.464 6.897 0.083
243 HB2 SER 36 1HB SER 36 12.226 7.950 2.244
244 HB3 SER 36 2HB SER 36 13.849 7.361 1.885
245 HG SER 36 HG SER 36 12.659 9.566 0.994
246 H GLY 37 H GLY 37 14.366 5.134 1.156
247 HA2 GLY 37 1HA GLY 37 15.265 3.652 -0.695
248 HA3 GLY 37 2HA GLY 37 15.280 5.126 -1.652
249 H GLU 38 H GLU 38 16.355 6.998 -0.110
250 HA GLU 38 HA GLU 38 19.106 6.321 -0.076
251 HB2 GLU 38 1HB GLU 38 18.106 8.614 -0.482
252 HB3 GLU 38 2HB GLU 38 17.849 8.719 1.254
253 HG2 GLU 38 1HG GLU 38 20.575 8.030 0.344
254 HG3 GLU 38 2HG GLU 38 20.018 9.676 0.049
255 H LYS 39 H LYS 39 20.469 6.937 1.933
256 HA LYS 39 HA LYS 39 21.213 6.026 3.909
257 HB2 LYS 39 1HB LYS 39 20.053 6.916 5.827
258 HB3 LYS 39 2HB LYS 39 20.037 8.123 4.548
259 HG2 LYS 39 1HG LYS 39 17.717 6.288 4.726
260 HG3 LYS 39 2HG LYS 39 17.883 7.530 5.969
261 HD2 LYS 39 1HD LYS 39 18.231 8.357 3.139
262 HD3 LYS 39 2HD LYS 39 16.597 7.971 3.683
263 HE2 LYS 39 1HE LYS 39 18.394 9.854 5.186
264 HE3 LYS 39 2HE LYS 39 17.343 10.398 3.880
265 HZ1 LYS 39 3HZ LYS 39 16.212 8.818 6.087
266 HZ2 LYS 39 1HZ LYS 39 15.460 9.961 5.092
267 HZ3 LYS 39 2HZ LYS 39 16.512 10.467 6.316
268 HA PRO 40 HA PRO 40 18.135 2.419 3.680
269 HB2 PRO 40 1HB PRO 40 19.707 0.700 2.285
270 HB3 PRO 40 2HB PRO 40 18.584 1.822 1.507
271 HG2 PRO 40 1HG PRO 40 21.539 2.076 1.910
272 HG3 PRO 40 2HG PRO 40 20.569 2.455 0.475
273 HD2 PRO 40 1HD PRO 40 21.427 4.359 2.198
274 HD3 PRO 40 2HD PRO 40 19.892 4.492 1.316
275 H SER 41 H SER 41 18.663 2.425 5.957
276 HA SER 41 HA SER 41 20.991 0.777 6.674
277 HB2 SER 41 1HB SER 41 20.548 1.662 9.007
278 HB3 SER 41 2HB SER 41 21.048 2.873 7.825
279 HG SER 41 HG SER 41 19.113 3.274 9.267
280 H GLY 42 H GLY 42 20.490 -1.311 6.831
281 HA2 GLY 42 1HA GLY 42 17.823 -2.195 7.471
282 HA3 GLY 42 2HA GLY 42 19.218 -3.219 7.159
283 HA PRO 43 HA PRO 43 18.163 -2.686 11.817
284 HB2 PRO 43 1HB PRO 43 16.515 -4.811 12.198
285 HB3 PRO 43 2HB PRO 43 15.922 -3.194 11.801
286 HG2 PRO 43 1HG PRO 43 16.335 -5.553 10.005
287 HG3 PRO 43 2HG PRO 43 14.980 -4.410 10.058
288 HD2 PRO 43 1HD PRO 43 16.960 -4.238 8.219
289 HD3 PRO 43 2HD PRO 43 16.120 -2.809 8.854
290 H SER 44 H SER 44 19.559 -4.764 9.665
291 HA SER 44 HA SER 44 20.136 -7.143 10.723
292 HB2 SER 44 1HB SER 44 22.178 -5.185 9.647
293 HB3 SER 44 2HB SER 44 22.473 -6.909 9.874
294 HG SER 44 HG SER 44 21.632 -5.947 7.723
295 H SER 45 H SER 45 20.416 -7.737 12.765
296 HA SER 45 HA SER 45 21.323 -6.072 14.833
297 HB2 SER 45 1HB SER 45 20.001 -8.348 14.883
298 HB3 SER 45 2HB SER 45 21.614 -9.047 15.030
299 HG SER 45 HG SER 45 20.409 -7.135 16.746
300 H GLY 46 H GLY 46 23.285 -5.769 15.794
301 HA2 GLY 46 1HA GLY 46 25.593 -7.032 14.446
302 HA3 GLY 46 2HA GLY 46 25.600 -5.373 15.025