Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505501 | 2ys2 RC | 11157 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -0.759 -10.114 31.650
2 HA2 GLY 1 1HA GLY 1 -2.267 -8.090 30.164
3 HA3 GLY 1 2HA GLY 1 -0.572 -7.765 30.496
4 H SER 2 H SER 2 -1.709 -7.960 27.909
5 HA SER 2 HA SER 2 -0.300 -10.347 26.913
6 HB2 SER 2 1HB SER 2 -1.957 -10.340 25.008
7 HB3 SER 2 2HB SER 2 -2.639 -10.767 26.578
8 HG SER 2 HG SER 2 -3.694 -8.894 26.653
9 H SER 3 H SER 3 1.592 -9.184 26.528
10 HA SER 3 HA SER 3 1.829 -6.718 25.284
11 HB2 SER 3 1HB SER 3 3.668 -8.057 26.394
12 HB3 SER 3 2HB SER 3 3.772 -9.002 24.909
13 HG SER 3 HG SER 3 5.116 -6.918 25.318
14 H GLY 4 H GLY 4 1.761 -9.953 23.817
15 HA2 GLY 4 1HA GLY 4 0.850 -10.503 21.732
16 HA3 GLY 4 2HA GLY 4 0.733 -8.791 21.356
17 H SER 5 H SER 5 1.879 -11.198 19.915
18 HA SER 5 HA SER 5 4.638 -10.245 19.567
19 HB2 SER 5 1HB SER 5 5.117 -12.404 18.554
20 HB3 SER 5 2HB SER 5 4.336 -12.652 20.116
21 HG SER 5 HG SER 5 3.043 -13.866 18.977
22 H SER 6 H SER 6 2.630 -8.676 18.476
23 HA SER 6 HA SER 6 2.476 -9.348 15.642
24 HB2 SER 6 1HB SER 6 1.159 -7.278 17.381
25 HB3 SER 6 2HB SER 6 1.137 -7.119 15.625
26 HG SER 6 HG SER 6 0.209 -9.371 17.086
27 H GLY 7 H GLY 7 2.840 -7.480 14.082
28 HA2 GLY 7 1HA GLY 7 5.433 -6.262 14.750
29 HA3 GLY 7 2HA GLY 7 4.839 -6.571 13.125
30 H ASN 8 H ASN 8 2.392 -5.437 13.087
31 HA ASN 8 HA ASN 8 2.553 -2.742 14.148
32 HB2 ASN 8 1HB ASN 8 2.718 -3.355 11.201
33 HB3 ASN 8 2HB ASN 8 2.147 -1.802 11.802
34 HD21 ASN 8 1HD2 ASN 8 4.642 -2.923 10.362
35 HD22 ASN 8 2HD2 ASN 8 5.944 -2.148 11.191
36 HA PRO 9 HA PRO 9 -1.817 -3.183 14.270
37 HB2 PRO 9 1HB PRO 9 -2.571 -0.576 14.216
38 HB3 PRO 9 2HB PRO 9 -1.831 -1.331 15.631
39 HG2 PRO 9 1HG PRO 9 -0.574 0.388 13.528
40 HG3 PRO 9 2HG PRO 9 -0.345 0.423 15.285
41 HD2 PRO 9 1HD PRO 9 1.422 -0.760 13.609
42 HD3 PRO 9 2HD PRO 9 1.124 -1.353 15.256
43 H HIS 10 H HIS 10 -0.223 -1.710 11.613
44 HA HIS 10 HA HIS 10 -2.699 -1.645 10.037
45 HB2 HIS 10 1HB HIS 10 -1.677 -0.122 8.587
46 HB3 HIS 10 2HB HIS 10 -1.061 0.355 10.166
47 HD2 HIS 10 HD2 HIS 10 0.258 -0.546 6.737
48 HE1 HIS 10 HE1 HIS 10 3.539 -0.909 9.401
49 HE2 HIS 10 HE2 HIS 10 2.825 -0.731 6.993
50 H LEU 11 H LEU 11 -3.123 -3.416 8.908
51 HA LEU 11 HA LEU 11 -0.865 -4.964 7.819
52 HB2 LEU 11 1HB LEU 11 -1.964 -6.316 9.410
53 HB3 LEU 11 2HB LEU 11 -3.556 -5.835 8.829
54 HG LEU 11 HG LEU 11 -2.803 -7.043 6.636
55 HD11 LEU 11 1HD1 LEU 11 -1.385 -9.035 7.227
56 HD12 LEU 11 2HD1 LEU 11 -0.951 -8.189 8.711
57 HD13 LEU 11 3HD1 LEU 11 -0.535 -7.493 7.146
58 HD21 LEU 11 3HD2 LEU 11 -3.569 -8.531 9.147
59 HD22 LEU 11 1HD2 LEU 11 -3.743 -9.137 7.500
60 HD23 LEU 11 2HD2 LEU 11 -4.674 -7.734 8.025
61 H LEU 12 H LEU 12 -3.957 -3.486 7.177
62 HA LEU 12 HA LEU 12 -3.789 -4.325 4.364
63 HB2 LEU 12 1HB LEU 12 -6.092 -3.271 5.993
64 HB3 LEU 12 2HB LEU 12 -6.161 -3.528 4.250
65 HG LEU 12 HG LEU 12 -5.433 -5.980 4.965
66 HD11 LEU 12 1HD1 LEU 12 -7.098 -5.139 7.321
67 HD12 LEU 12 2HD1 LEU 12 -5.340 -5.244 7.382
68 HD13 LEU 12 3HD1 LEU 12 -6.297 -6.685 7.042
69 HD21 LEU 12 3HD2 LEU 12 -7.518 -6.571 4.337
70 HD22 LEU 12 1HD2 LEU 12 -7.656 -4.857 3.950
71 HD23 LEU 12 2HD2 LEU 12 -8.292 -5.469 5.476
72 H VAL 13 H VAL 13 -2.123 -2.750 3.944
73 HA VAL 13 HA VAL 13 -3.167 0.001 3.753
74 HB VAL 13 HB VAL 13 -1.333 0.032 5.276
75 HG11 VAL 13 1HG1 VAL 13 -0.134 -1.912 5.039
76 HG12 VAL 13 2HG1 VAL 13 -0.054 -1.779 3.282
77 HG13 VAL 13 3HG1 VAL 13 0.967 -0.755 4.293
78 HG21 VAL 13 3HG2 VAL 13 -1.453 1.644 3.175
79 HG22 VAL 13 1HG2 VAL 13 -0.139 1.739 4.347
80 HG23 VAL 13 2HG2 VAL 13 0.100 0.890 2.820
81 H LYS 14 H LYS 14 -2.868 1.129 1.852
82 HA LYS 14 HA LYS 14 -1.852 -0.444 -0.425
83 HB2 LYS 14 1HB LYS 14 -4.113 1.563 -0.390
84 HB3 LYS 14 2HB LYS 14 -3.487 0.774 -1.832
85 HG2 LYS 14 1HG LYS 14 -4.485 -0.870 0.451
86 HG3 LYS 14 2HG LYS 14 -5.622 -0.140 -0.686
87 HD2 LYS 14 1HD LYS 14 -4.774 -1.362 -2.493
88 HD3 LYS 14 2HD LYS 14 -3.283 -1.762 -1.639
89 HE2 LYS 14 1HE LYS 14 -4.834 -3.013 0.002
90 HE3 LYS 14 2HE LYS 14 -6.030 -2.908 -1.287
91 HZ1 LYS 14 3HZ LYS 14 -3.401 -4.270 -1.359
92 HZ2 LYS 14 1HZ LYS 14 -4.301 -3.952 -2.755
93 HZ3 LYS 14 2HZ LYS 14 -4.935 -4.958 -1.553
94 H TYR 15 H TYR 15 -1.358 1.081 -2.353
95 HA TYR 15 HA TYR 15 -0.177 3.604 -1.458
96 HB2 TYR 15 1HB TYR 15 1.937 3.084 -2.634
97 HB3 TYR 15 2HB TYR 15 1.639 1.996 -1.282
98 HD1 TYR 15 HD1 TYR 15 1.104 2.214 -4.972
99 HD2 TYR 15 HD2 TYR 15 1.875 -0.283 -1.615
100 HE1 TYR 15 HE1 TYR 15 1.373 0.285 -6.476
101 HE2 TYR 15 HE2 TYR 15 2.147 -2.218 -3.108
102 HH TYR 15 HH TYR 15 1.494 -2.929 -5.336
103 H HIS 16 H HIS 16 0.854 4.711 -3.508
104 HA HIS 16 HA HIS 16 -1.133 4.486 -5.671
105 HB2 HIS 16 1HB HIS 16 0.310 6.858 -4.515
106 HB3 HIS 16 2HB HIS 16 -0.381 6.917 -6.134
107 HD2 HIS 16 HD2 HIS 16 -1.479 7.212 -2.465
108 HE1 HIS 16 HE1 HIS 16 -4.989 7.260 -4.847
109 HE2 HIS 16 HE2 HIS 16 -4.018 7.694 -2.563
110 H SER 17 H SER 17 -0.296 3.436 -7.349
111 HA SER 17 HA SER 17 2.534 3.412 -7.875
112 HB2 SER 17 1HB SER 17 1.801 2.049 -9.903
113 HB3 SER 17 2HB SER 17 1.400 1.371 -8.324
114 HG SER 17 HG SER 17 -0.306 1.475 -10.042
115 H GLY 18 H GLY 18 1.663 6.015 -7.973
116 HA2 GLY 18 1HA GLY 18 2.242 6.664 -10.764
117 HA3 GLY 18 2HA GLY 18 0.757 7.312 -10.085
118 H PHE 19 H PHE 19 1.423 9.451 -10.311
119 HA PHE 19 HA PHE 19 3.381 10.303 -8.300
120 HB2 PHE 19 1HB PHE 19 3.316 11.104 -11.205
121 HB3 PHE 19 2HB PHE 19 4.102 12.097 -9.981
122 HD1 PHE 19 HD2 PHE 19 5.890 10.928 -8.526
123 HD2 PHE 19 HD1 PHE 19 4.490 9.412 -12.249
124 HE1 PHE 19 HE2 PHE 19 7.931 9.571 -8.736
125 HE2 PHE 19 HE1 PHE 19 6.529 8.051 -12.465
126 HZ PHE 19 HZ PHE 19 8.252 8.130 -10.708
127 H PHE 20 H PHE 20 3.262 12.807 -8.094
128 HA PHE 20 HA PHE 20 0.419 13.583 -8.128
129 HB2 PHE 20 1HB PHE 20 1.356 13.160 -5.849
130 HB3 PHE 20 2HB PHE 20 2.510 14.461 -6.127
131 HD1 PHE 20 HD1 PHE 20 -1.111 14.254 -6.953
132 HD2 PHE 20 HD2 PHE 20 1.931 16.143 -4.651
133 HE1 PHE 20 HE1 PHE 20 -2.757 15.884 -6.124
134 HE2 PHE 20 HE2 PHE 20 0.289 17.776 -3.817
135 HZ PHE 20 HZ PHE 20 -2.057 17.647 -4.552
136 H VAL 21 H VAL 21 0.407 14.756 -10.005
137 HA VAL 21 HA VAL 21 2.125 17.152 -10.043
138 HB VAL 21 HB VAL 21 1.120 15.655 -12.467
139 HG11 VAL 21 1HG1 VAL 21 3.265 17.337 -13.112
140 HG12 VAL 21 2HG1 VAL 21 1.569 17.539 -13.558
141 HG13 VAL 21 3HG1 VAL 21 2.192 18.294 -12.090
142 HG21 VAL 21 3HG2 VAL 21 2.801 14.337 -11.333
143 HG22 VAL 21 1HG2 VAL 21 3.487 15.035 -12.801
144 HG23 VAL 21 2HG2 VAL 21 3.870 15.736 -11.228
145 H ASP 22 H ASP 22 1.183 19.086 -10.580
146 HA ASP 22 HA ASP 22 -0.469 20.645 -10.716
147 HB2 ASP 22 1HB ASP 22 -0.679 19.340 -12.950
148 HB3 ASP 22 2HB ASP 22 -2.135 18.656 -12.233
149 H GLY 23 H GLY 23 -0.481 18.914 -8.432
150 HA2 GLY 23 1HA GLY 23 -1.795 18.522 -6.590
151 HA3 GLY 23 2HA GLY 23 -2.974 19.606 -7.313
152 H LYS 24 H LYS 24 -2.115 16.990 -9.302
153 HA LYS 24 HA LYS 24 -4.383 15.381 -8.358
154 HB2 LYS 24 1HB LYS 24 -3.883 16.266 -11.204
155 HB3 LYS 24 2HB LYS 24 -5.028 15.009 -10.752
156 HG2 LYS 24 1HG LYS 24 -5.237 17.714 -9.510
157 HG3 LYS 24 2HG LYS 24 -5.847 17.444 -11.145
158 HD2 LYS 24 1HD LYS 24 -6.989 15.358 -9.993
159 HD3 LYS 24 2HD LYS 24 -6.809 16.352 -8.547
160 HE2 LYS 24 1HE LYS 24 -8.977 16.746 -9.533
161 HE3 LYS 24 2HE LYS 24 -7.981 18.190 -9.706
162 HZ1 LYS 24 3HZ LYS 24 -7.629 16.535 -11.956
163 HZ2 LYS 24 1HZ LYS 24 -8.256 18.105 -11.886
164 HZ3 LYS 24 2HZ LYS 24 -9.285 16.774 -11.710
165 H PHE 25 H PHE 25 -4.202 13.177 -8.673
166 HA PHE 25 HA PHE 25 -1.534 12.177 -8.960
167 HB2 PHE 25 1HB PHE 25 -4.212 10.920 -8.443
168 HB3 PHE 25 2HB PHE 25 -2.810 9.917 -8.802
169 HD1 PHE 25 HD1 PHE 25 -0.638 10.698 -7.383
170 HD2 PHE 25 HD2 PHE 25 -4.705 11.196 -6.231
171 HE1 PHE 25 HE1 PHE 25 0.049 10.814 -5.024
172 HE2 PHE 25 HE2 PHE 25 -4.024 11.313 -3.869
173 HZ PHE 25 HZ PHE 25 -1.645 11.123 -3.263
174 H LEU 26 H LEU 26 -0.915 10.466 -10.455
175 HA LEU 26 HA LEU 26 -2.116 10.891 -13.103
176 HB2 LEU 26 1HB LEU 26 0.630 10.021 -12.241
177 HB3 LEU 26 2HB LEU 26 0.068 9.879 -13.907
178 HG LEU 26 HG LEU 26 1.472 11.856 -13.578
179 HD11 LEU 26 1HD1 LEU 26 0.077 13.417 -14.698
180 HD12 LEU 26 2HD1 LEU 26 -1.384 12.688 -14.034
181 HD13 LEU 26 3HD1 LEU 26 -0.422 11.809 -15.221
182 HD21 LEU 26 3HD2 LEU 26 0.934 12.267 -11.221
183 HD22 LEU 26 1HD2 LEU 26 -0.690 12.773 -11.684
184 HD23 LEU 26 2HD2 LEU 26 0.708 13.713 -12.206
185 H CYS 27 H CYS 27 -1.566 8.548 -10.651
186 HA CYS 27 HA CYS 27 -1.890 6.249 -12.355
187 HB2 CYS 27 1HB CYS 27 -2.142 5.081 -10.069
188 HB3 CYS 27 2HB CYS 27 -0.586 5.806 -10.459
189 H CYS 28 H CYS 28 -3.876 7.919 -9.927
190 HA CYS 28 HA CYS 28 -6.233 6.538 -11.034
191 HB2 CYS 28 1HB CYS 28 -7.252 7.166 -8.739
192 HB3 CYS 28 2HB CYS 28 -6.120 5.820 -8.813
193 H GLN 29 H GLN 29 -4.795 9.577 -10.155
194 HA GLN 29 HA GLN 29 -5.391 11.739 -10.534
195 HB2 GLN 29 1HB GLN 29 -7.317 10.542 -12.532
196 HB3 GLN 29 2HB GLN 29 -6.767 12.212 -12.488
197 HG2 GLN 29 1HG GLN 29 -4.713 11.710 -13.341
198 HG3 GLN 29 2HG GLN 29 -4.727 10.067 -12.704
199 HE21 GLN 29 1HE2 GLN 29 -4.101 9.230 -14.702
200 HE22 GLN 29 2HE2 GLN 29 -5.201 9.114 -16.029
201 H GLN 30 H GLN 30 -6.583 10.578 -8.340
202 HA GLN 30 HA GLN 30 -9.379 10.811 -8.219
203 HB2 GLN 30 1HB GLN 30 -7.292 11.065 -6.049
204 HB3 GLN 30 2HB GLN 30 -9.023 10.982 -5.744
205 HG2 GLN 30 1HG GLN 30 -7.535 8.845 -7.238
206 HG3 GLN 30 2HG GLN 30 -7.725 8.835 -5.485
207 HE21 GLN 30 1HE2 GLN 30 -8.894 6.904 -5.589
208 HE22 GLN 30 2HE2 GLN 30 -10.535 6.862 -6.126
209 H SER 31 H SER 31 -10.300 12.438 -6.435
210 HA SER 31 HA SER 31 -9.935 15.062 -7.604
211 HB2 SER 31 1HB SER 31 -12.206 14.435 -7.231
212 HB3 SER 31 2HB SER 31 -11.873 13.962 -5.565
213 HG SER 31 HG SER 31 -11.816 16.587 -6.640
214 H CYS 32 H CYS 32 -9.695 13.599 -4.373
215 HA CYS 32 HA CYS 32 -8.395 16.010 -3.364
216 HB2 CYS 32 1HB CYS 32 -9.518 13.541 -2.064
217 HB3 CYS 32 2HB CYS 32 -8.452 14.627 -1.176
218 H LYS 33 H LYS 33 -6.457 15.691 -1.938
219 HA LYS 33 HA LYS 33 -4.472 14.184 -3.401
220 HB2 LYS 33 1HB LYS 33 -4.299 16.562 -2.256
221 HB3 LYS 33 2HB LYS 33 -3.849 15.607 -0.850
222 HG2 LYS 33 1HG LYS 33 -2.478 15.240 -3.489
223 HG3 LYS 33 2HG LYS 33 -1.983 16.496 -2.352
224 HD2 LYS 33 1HD LYS 33 -2.305 13.725 -1.323
225 HD3 LYS 33 2HD LYS 33 -0.897 14.079 -2.326
226 HE2 LYS 33 1HE LYS 33 -1.574 15.930 -0.091
227 HE3 LYS 33 2HE LYS 33 -0.823 14.380 0.290
228 HZ1 LYS 33 3HZ LYS 33 0.905 15.950 0.027
229 HZ2 LYS 33 1HZ LYS 33 0.265 16.542 -1.423
230 HZ3 LYS 33 2HZ LYS 33 0.932 14.989 -1.364
231 H ALA 34 H ALA 34 -5.814 14.196 -0.115
232 HA ALA 34 HA ALA 34 -4.296 11.840 0.616
233 HB1 ALA 34 3HB ALA 34 -5.144 12.129 2.798
234 HB2 ALA 34 1HB ALA 34 -4.825 13.753 2.187
235 HB3 ALA 34 2HB ALA 34 -6.477 13.135 2.229
236 H ALA 35 H ALA 35 -5.930 11.342 -1.574
237 HA ALA 35 HA ALA 35 -8.411 10.157 -0.794
238 HB1 ALA 35 3HB ALA 35 -7.340 10.958 -3.175
239 HB2 ALA 35 1HB ALA 35 -7.241 9.201 -3.298
240 HB3 ALA 35 2HB ALA 35 -8.795 9.978 -2.993
241 HA PRO 36 HA PRO 36 -7.200 6.121 0.428
242 HB2 PRO 36 1HB PRO 36 -9.142 4.577 -0.673
243 HB3 PRO 36 2HB PRO 36 -9.429 5.643 0.707
244 HG2 PRO 36 1HG PRO 36 -10.024 6.097 -2.192
245 HG3 PRO 36 2HG PRO 36 -11.025 6.459 -0.774
246 HD2 PRO 36 1HD PRO 36 -9.576 8.352 -2.057
247 HD3 PRO 36 2HD PRO 36 -9.883 8.406 -0.309
248 H GLY 37 H GLY 37 -5.823 4.560 -0.232
249 HA2 GLY 37 1HA GLY 37 -4.396 4.516 -2.484
250 HA3 GLY 37 2HA GLY 37 -4.821 3.021 -1.664
251 H CYS 38 H CYS 38 -4.518 3.931 -4.583
252 HA CYS 38 HA CYS 38 -7.171 3.214 -5.590
253 HB2 CYS 38 1HB CYS 38 -6.431 4.011 -7.729
254 HB3 CYS 38 2HB CYS 38 -5.954 5.201 -6.522
255 H THR 39 H THR 39 -3.808 2.147 -5.671
256 HA THR 39 HA THR 39 -4.231 -0.046 -7.425
257 HB THR 39 HB THR 39 -2.030 0.320 -5.383
258 HG1 THR 39 HG1 THR 39 -1.590 1.932 -6.708
259 HG21 THR 39 3HG2 THR 39 -1.350 -1.702 -6.026
260 HG22 THR 39 1HG2 THR 39 -1.125 -1.064 -7.654
261 HG23 THR 39 2HG2 THR 39 -2.657 -1.814 -7.204
262 H LEU 40 H LEU 40 -6.026 -1.192 -6.658
263 HA LEU 40 HA LEU 40 -5.762 -2.484 -4.040
264 HB2 LEU 40 1HB LEU 40 -7.880 -1.255 -4.900
265 HB3 LEU 40 2HB LEU 40 -8.150 -2.729 -5.828
266 HG LEU 40 HG LEU 40 -7.709 -2.957 -2.890
267 HD11 LEU 40 1HD1 LEU 40 -9.299 -1.267 -2.768
268 HD12 LEU 40 2HD1 LEU 40 -10.265 -2.741 -2.713
269 HD13 LEU 40 3HD1 LEU 40 -10.144 -1.822 -4.213
270 HD21 LEU 40 3HD2 LEU 40 -8.647 -4.993 -3.144
271 HD22 LEU 40 1HD2 LEU 40 -8.168 -4.770 -4.828
272 HD23 LEU 40 2HD2 LEU 40 -9.823 -4.424 -4.329
273 H TRP 41 H TRP 41 -6.107 -4.759 -3.820
274 HA TRP 41 HA TRP 41 -4.741 -6.293 -5.778
275 HB2 TRP 41 1HB TRP 41 -4.948 -6.680 -3.217
276 HB3 TRP 41 2HB TRP 41 -6.449 -7.509 -3.625
277 HD1 TRP 41 HD1 TRP 41 -5.396 -8.964 -6.292
278 HE1 TRP 41 HE1 TRP 41 -3.775 -10.950 -6.060
279 HE3 TRP 41 HE3 TRP 41 -3.599 -8.004 -1.603
280 HZ2 TRP 41 HZ2 TRP 41 -1.974 -11.975 -4.144
281 HZ3 TRP 41 HZ3 TRP 41 -1.931 -9.535 -0.642
282 HH2 TRP 41 HH2 TRP 41 -1.137 -11.480 -1.888
283 H GLU 42 H GLU 42 -5.979 -5.941 -7.691
284 HA GLU 42 HA GLU 42 -8.150 -7.856 -7.969
285 HB2 GLU 42 1HB GLU 42 -8.454 -4.899 -8.448
286 HB3 GLU 42 2HB GLU 42 -9.475 -6.076 -9.263
287 HG2 GLU 42 1HG GLU 42 -9.209 -5.845 -6.276
288 HG3 GLU 42 2HG GLU 42 -10.484 -5.086 -7.227
289 H ALA 43 H ALA 43 -8.753 -8.180 -10.268
290 HA ALA 43 HA ALA 43 -7.000 -7.180 -12.309
291 HB1 ALA 43 3HB ALA 43 -6.777 -10.101 -12.248
292 HB2 ALA 43 1HB ALA 43 -5.556 -8.873 -12.585
293 HB3 ALA 43 2HB ALA 43 -5.962 -9.278 -10.917
294 H TYR 44 H TYR 44 -7.756 -7.593 -14.382
295 HA TYR 44 HA TYR 44 -10.526 -8.203 -14.590
296 HB2 TYR 44 1HB TYR 44 -10.056 -8.025 -17.083
297 HB3 TYR 44 2HB TYR 44 -9.676 -6.602 -16.119
298 HD1 TYR 44 HD1 TYR 44 -8.279 -9.388 -18.053
299 HD2 TYR 44 HD2 TYR 44 -7.384 -5.895 -15.795
300 HE1 TYR 44 HE1 TYR 44 -5.985 -9.410 -18.940
301 HE2 TYR 44 HE2 TYR 44 -5.087 -5.907 -16.676
302 HH TYR 44 HH TYR 44 -3.490 -7.601 -17.627
303 H SER 45 H SER 45 -7.592 -9.867 -15.723
304 HA SER 45 HA SER 45 -9.149 -12.193 -16.499
305 HB2 SER 45 1HB SER 45 -6.280 -11.369 -16.805
306 HB3 SER 45 2HB SER 45 -6.732 -13.061 -17.010
307 HG SER 45 HG SER 45 -6.800 -11.380 -18.875
308 H GLY 46 H GLY 46 -9.193 -14.129 -15.459
309 HA2 GLY 46 1HA GLY 46 -7.411 -15.142 -13.612
310 HA3 GLY 46 2HA GLY 46 -8.533 -14.160 -12.683
311 HA PRO 47 HA PRO 47 -10.185 -18.532 -13.658
312 HB2 PRO 47 1HB PRO 47 -9.694 -19.709 -11.261
313 HB3 PRO 47 2HB PRO 47 -8.550 -19.758 -12.607
314 HG2 PRO 47 1HG PRO 47 -8.573 -17.973 -10.203
315 HG3 PRO 47 2HG PRO 47 -7.205 -18.806 -10.965
316 HD2 PRO 47 1HD PRO 47 -7.724 -16.180 -11.375
317 HD3 PRO 47 2HD PRO 47 -6.997 -17.215 -12.621
318 H SER 48 H SER 48 -12.144 -17.280 -13.614
319 HA SER 48 HA SER 48 -13.463 -16.098 -11.589
320 HB2 SER 48 1HB SER 48 -14.675 -18.011 -13.598
321 HB3 SER 48 2HB SER 48 -15.594 -16.868 -12.620
322 HG SER 48 HG SER 48 -15.219 -15.849 -14.526
323 H SER 49 H SER 49 -14.855 -16.680 -9.909
324 HA SER 49 HA SER 49 -14.295 -19.313 -8.772
325 HB2 SER 49 1HB SER 49 -15.062 -18.402 -6.671
326 HB3 SER 49 2HB SER 49 -13.955 -17.241 -7.404
327 HG SER 49 HG SER 49 -15.793 -16.085 -8.139
328 H GLY 50 H GLY 50 -15.766 -20.891 -8.616
329 HA2 GLY 50 1HA GLY 50 -18.505 -20.273 -9.518
330 HA3 GLY 50 2HA GLY 50 -17.724 -21.840 -9.671
Start of MODEL 2
1 H1 GLY 1 H GLY 1 22.470 -16.383 12.087
2 HA2 GLY 1 1HA GLY 1 21.330 -16.513 14.435
3 HA3 GLY 1 2HA GLY 1 22.583 -15.346 14.829
4 H SER 2 H SER 2 20.041 -14.587 15.223
5 HA SER 2 HA SER 2 18.888 -13.299 12.943
6 HB2 SER 2 1HB SER 2 17.282 -12.373 14.510
7 HB3 SER 2 2HB SER 2 17.553 -14.071 14.900
8 HG SER 2 HG SER 2 19.278 -12.987 16.361
9 H SER 3 H SER 3 19.421 -11.408 12.087
10 HA SER 3 HA SER 3 20.951 -9.502 13.733
11 HB2 SER 3 1HB SER 3 22.010 -8.761 11.572
12 HB3 SER 3 2HB SER 3 22.435 -10.399 12.068
13 HG SER 3 HG SER 3 21.002 -9.526 9.882
14 H GLY 4 H GLY 4 20.584 -7.270 13.367
15 HA2 GLY 4 1HA GLY 4 17.983 -6.435 13.189
16 HA3 GLY 4 2HA GLY 4 19.355 -5.401 12.818
17 H SER 5 H SER 5 16.667 -7.098 11.572
18 HA SER 5 HA SER 5 17.436 -6.311 8.838
19 HB2 SER 5 1HB SER 5 16.038 -8.203 8.029
20 HB3 SER 5 2HB SER 5 17.408 -8.737 9.002
21 HG SER 5 HG SER 5 15.830 -9.813 9.949
22 H SER 6 H SER 6 15.689 -5.679 7.432
23 HA SER 6 HA SER 6 14.021 -3.750 8.407
24 HB2 SER 6 1HB SER 6 14.513 -4.168 5.991
25 HB3 SER 6 2HB SER 6 13.375 -5.515 6.032
26 HG SER 6 HG SER 6 11.965 -3.650 6.984
27 H GLY 7 H GLY 7 11.850 -3.606 8.999
28 HA2 GLY 7 1HA GLY 7 10.849 -5.786 10.517
29 HA3 GLY 7 2HA GLY 7 9.999 -4.285 10.182
30 H ASN 8 H ASN 8 8.032 -5.356 9.863
31 HA ASN 8 HA ASN 8 7.691 -7.510 8.060
32 HB2 ASN 8 1HB ASN 8 5.829 -5.558 9.377
33 HB3 ASN 8 2HB ASN 8 5.226 -6.651 8.134
34 HD21 ASN 8 1HD2 ASN 8 5.635 -6.263 11.363
35 HD22 ASN 8 2HD2 ASN 8 5.597 -7.917 11.863
36 HA PRO 9 HA PRO 9 7.673 -5.552 4.129
37 HB2 PRO 9 1HB PRO 9 5.936 -7.149 2.789
38 HB3 PRO 9 2HB PRO 9 7.570 -7.661 3.225
39 HG2 PRO 9 1HG PRO 9 4.971 -8.259 4.586
40 HG3 PRO 9 2HG PRO 9 6.333 -9.343 4.246
41 HD2 PRO 9 1HD PRO 9 5.925 -8.237 6.684
42 HD3 PRO 9 2HD PRO 9 7.547 -8.591 6.055
43 H HIS 10 H HIS 10 6.666 -3.840 3.261
44 HA HIS 10 HA HIS 10 4.060 -3.083 4.265
45 HB2 HIS 10 1HB HIS 10 4.500 -1.031 2.790
46 HB3 HIS 10 2HB HIS 10 5.574 -1.281 4.163
47 HD2 HIS 10 HD2 HIS 10 8.119 -0.816 3.424
48 HE1 HIS 10 HE1 HIS 10 7.842 -2.111 -0.607
49 HE2 HIS 10 HE2 HIS 10 9.367 -1.239 1.198
50 H LEU 11 H LEU 11 4.004 -5.402 2.664
51 HA LEU 11 HA LEU 11 3.171 -4.746 0.003
52 HB2 LEU 11 1HB LEU 11 4.159 -6.897 0.460
53 HB3 LEU 11 2HB LEU 11 2.896 -7.265 1.633
54 HG LEU 11 HG LEU 11 1.284 -7.079 -0.373
55 HD11 LEU 11 1HD1 LEU 11 3.906 -6.835 -1.662
56 HD12 LEU 11 2HD1 LEU 11 2.308 -6.356 -2.232
57 HD13 LEU 11 3HD1 LEU 11 2.833 -8.034 -2.386
58 HD21 LEU 11 3HD2 LEU 11 2.047 -9.463 -1.097
59 HD22 LEU 11 1HD2 LEU 11 1.463 -9.186 0.543
60 HD23 LEU 11 2HD2 LEU 11 3.195 -9.293 0.232
61 H LEU 12 H LEU 12 1.491 -5.731 2.974
62 HA LEU 12 HA LEU 12 -1.105 -5.788 1.977
63 HB2 LEU 12 1HB LEU 12 -0.153 -4.986 4.723
64 HB3 LEU 12 2HB LEU 12 -1.819 -5.385 4.305
65 HG LEU 12 HG LEU 12 0.479 -7.320 4.066
66 HD11 LEU 12 1HD1 LEU 12 0.434 -7.171 6.327
67 HD12 LEU 12 2HD1 LEU 12 -0.917 -8.284 6.116
68 HD13 LEU 12 3HD1 LEU 12 -1.223 -6.565 6.368
69 HD21 LEU 12 3HD2 LEU 12 -1.623 -7.634 2.679
70 HD22 LEU 12 1HD2 LEU 12 -2.468 -7.895 4.205
71 HD23 LEU 12 2HD2 LEU 12 -1.160 -8.977 3.725
72 H VAL 13 H VAL 13 0.307 -3.124 3.888
73 HA VAL 13 HA VAL 13 -1.586 -1.221 3.662
74 HB VAL 13 HB VAL 13 0.252 0.495 3.560
75 HG11 VAL 13 1HG1 VAL 13 1.128 -1.435 5.614
76 HG12 VAL 13 2HG1 VAL 13 0.630 0.250 5.777
77 HG13 VAL 13 3HG1 VAL 13 -0.585 -1.018 5.613
78 HG21 VAL 13 3HG2 VAL 13 2.430 -1.282 4.054
79 HG22 VAL 13 1HG2 VAL 13 1.697 -1.686 2.501
80 HG23 VAL 13 2HG2 VAL 13 2.270 -0.046 2.807
81 H LYS 14 H LYS 14 -2.605 -0.159 2.096
82 HA LYS 14 HA LYS 14 -2.125 -0.689 -0.635
83 HB2 LYS 14 1HB LYS 14 -3.784 1.450 0.708
84 HB3 LYS 14 2HB LYS 14 -3.794 1.143 -1.024
85 HG2 LYS 14 1HG LYS 14 -4.850 -0.909 -0.784
86 HG3 LYS 14 2HG LYS 14 -4.401 -1.051 0.917
87 HD2 LYS 14 1HD LYS 14 -5.881 0.984 1.311
88 HD3 LYS 14 2HD LYS 14 -6.496 0.718 -0.322
89 HE2 LYS 14 1HE LYS 14 -8.023 -0.463 0.927
90 HE3 LYS 14 2HE LYS 14 -6.858 -1.725 0.533
91 HZ1 LYS 14 3HZ LYS 14 -6.161 -0.347 2.930
92 HZ2 LYS 14 1HZ LYS 14 -6.376 -2.004 2.668
93 HZ3 LYS 14 2HZ LYS 14 -7.706 -1.026 3.036
94 H TYR 15 H TYR 15 -2.066 1.346 -2.191
95 HA TYR 15 HA TYR 15 -0.497 3.571 -1.446
96 HB2 TYR 15 1HB TYR 15 1.648 3.036 -2.103
97 HB3 TYR 15 2HB TYR 15 1.125 1.495 -1.430
98 HD1 TYR 15 HD2 TYR 15 0.074 -0.184 -3.137
99 HD2 TYR 15 HD1 TYR 15 2.551 3.095 -4.237
100 HE1 TYR 15 HE2 TYR 15 0.583 -1.294 -5.272
101 HE2 TYR 15 HE1 TYR 15 3.067 1.995 -6.376
102 HH TYR 15 HH TYR 15 1.501 -0.064 -7.810
103 H HIS 16 H HIS 16 0.305 4.779 -3.412
104 HA HIS 16 HA HIS 16 -1.618 4.394 -5.603
105 HB2 HIS 16 1HB HIS 16 -0.268 6.829 -4.473
106 HB3 HIS 16 2HB HIS 16 -0.929 6.847 -6.106
107 HD2 HIS 16 HD2 HIS 16 -2.092 7.289 -2.499
108 HE1 HIS 16 HE1 HIS 16 -5.583 6.947 -4.886
109 HE2 HIS 16 HE2 HIS 16 -4.655 7.611 -2.640
110 H SER 17 H SER 17 -0.909 3.832 -7.553
111 HA SER 17 HA SER 17 1.925 3.496 -7.995
112 HB2 SER 17 1HB SER 17 1.142 2.559 -10.218
113 HB3 SER 17 2HB SER 17 0.537 1.722 -8.789
114 HG SER 17 HG SER 17 -0.835 3.012 -10.732
115 H GLY 18 H GLY 18 1.233 6.194 -7.692
116 HA2 GLY 18 1HA GLY 18 2.404 7.283 -10.061
117 HA3 GLY 18 2HA GLY 18 0.695 7.678 -9.948
118 H PHE 19 H PHE 19 2.310 9.767 -10.001
119 HA PHE 19 HA PHE 19 2.676 10.594 -7.201
120 HB2 PHE 19 1HB PHE 19 3.902 11.750 -9.715
121 HB3 PHE 19 2HB PHE 19 4.201 12.321 -8.076
122 HD1 PHE 19 HD1 PHE 19 4.615 9.426 -10.341
123 HD2 PHE 19 HD2 PHE 19 5.819 11.305 -6.716
124 HE1 PHE 19 HE1 PHE 19 6.462 7.816 -10.123
125 HE2 PHE 19 HE2 PHE 19 7.668 9.699 -6.493
126 HZ PHE 19 HZ PHE 19 7.993 7.952 -8.199
127 H PHE 20 H PHE 20 2.291 12.960 -6.805
128 HA PHE 20 HA PHE 20 -0.277 13.690 -7.993
129 HB2 PHE 20 1HB PHE 20 0.196 13.584 -5.452
130 HB3 PHE 20 2HB PHE 20 1.035 15.114 -5.692
131 HD1 PHE 20 HD1 PHE 20 -2.238 13.459 -6.321
132 HD2 PHE 20 HD2 PHE 20 -0.149 17.096 -5.592
133 HE1 PHE 20 HE1 PHE 20 -4.383 14.653 -6.151
134 HE2 PHE 20 HE2 PHE 20 -2.291 18.295 -5.421
135 HZ PHE 20 HZ PHE 20 -4.410 17.074 -5.700
136 H VAL 21 H VAL 21 0.077 14.736 -9.879
137 HA VAL 21 HA VAL 21 1.779 17.141 -9.771
138 HB VAL 21 HB VAL 21 1.348 15.334 -12.155
139 HG11 VAL 21 1HG1 VAL 21 3.470 17.101 -12.613
140 HG12 VAL 21 2HG1 VAL 21 1.887 17.102 -13.391
141 HG13 VAL 21 3HG1 VAL 21 2.164 18.084 -11.952
142 HG21 VAL 21 3HG2 VAL 21 3.859 15.852 -10.565
143 HG22 VAL 21 1HG2 VAL 21 2.852 14.410 -10.423
144 HG23 VAL 21 2HG2 VAL 21 3.684 14.759 -11.938
145 H ASP 22 H ASP 22 0.969 19.005 -10.628
146 HA ASP 22 HA ASP 22 -0.570 20.511 -11.363
147 HB2 ASP 22 1HB ASP 22 -1.205 18.088 -12.986
148 HB3 ASP 22 2HB ASP 22 -2.345 19.431 -13.012
149 H GLY 23 H GLY 23 -1.025 19.456 -8.860
150 HA2 GLY 23 1HA GLY 23 -2.644 19.275 -7.244
151 HA3 GLY 23 2HA GLY 23 -3.668 20.179 -8.350
152 H LYS 24 H LYS 24 -2.354 17.111 -9.306
153 HA LYS 24 HA LYS 24 -4.665 15.597 -8.487
154 HB2 LYS 24 1HB LYS 24 -4.328 16.573 -11.285
155 HB3 LYS 24 2HB LYS 24 -4.950 14.945 -11.044
156 HG2 LYS 24 1HG LYS 24 -6.651 16.032 -9.469
157 HG3 LYS 24 2HG LYS 24 -6.157 17.557 -10.209
158 HD2 LYS 24 1HD LYS 24 -6.774 16.720 -12.403
159 HD3 LYS 24 2HD LYS 24 -7.190 15.151 -11.711
160 HE2 LYS 24 1HE LYS 24 -8.800 16.547 -10.216
161 HE3 LYS 24 2HE LYS 24 -8.610 17.772 -11.469
162 HZ1 LYS 24 3HZ LYS 24 -10.463 16.556 -12.123
163 HZ2 LYS 24 1HZ LYS 24 -9.776 15.069 -11.701
164 HZ3 LYS 24 2HZ LYS 24 -9.221 15.900 -13.066
165 H PHE 25 H PHE 25 -4.458 13.328 -8.926
166 HA PHE 25 HA PHE 25 -1.722 12.457 -8.875
167 HB2 PHE 25 1HB PHE 25 -4.387 11.170 -8.514
168 HB3 PHE 25 2HB PHE 25 -3.021 10.138 -8.925
169 HD1 PHE 25 HD1 PHE 25 -0.823 10.755 -7.476
170 HD2 PHE 25 HD2 PHE 25 -4.865 11.368 -6.289
171 HE1 PHE 25 HE1 PHE 25 -0.130 10.728 -5.115
172 HE2 PHE 25 HE2 PHE 25 -4.178 11.343 -3.927
173 HZ PHE 25 HZ PHE 25 -1.809 11.024 -3.337
174 H LEU 26 H LEU 26 -1.243 10.353 -10.198
175 HA LEU 26 HA LEU 26 -2.058 10.826 -12.991
176 HB2 LEU 26 1HB LEU 26 0.632 9.829 -12.072
177 HB3 LEU 26 2HB LEU 26 0.150 10.222 -13.722
178 HG LEU 26 HG LEU 26 0.581 12.151 -11.443
179 HD11 LEU 26 1HD1 LEU 26 2.041 12.741 -13.809
180 HD12 LEU 26 2HD1 LEU 26 2.314 11.050 -13.391
181 HD13 LEU 26 3HD1 LEU 26 2.652 12.314 -12.210
182 HD21 LEU 26 3HD2 LEU 26 0.166 13.875 -13.238
183 HD22 LEU 26 1HD2 LEU 26 -1.258 13.006 -12.663
184 HD23 LEU 26 2HD2 LEU 26 -0.526 12.575 -14.208
185 H CYS 27 H CYS 27 -1.970 8.670 -10.420
186 HA CYS 27 HA CYS 27 -1.915 6.272 -12.071
187 HB2 CYS 27 1HB CYS 27 -2.248 5.116 -9.843
188 HB3 CYS 27 2HB CYS 27 -0.760 6.043 -10.002
189 H CYS 28 H CYS 28 -4.162 7.880 -9.826
190 HA CYS 28 HA CYS 28 -6.371 6.483 -11.190
191 HB2 CYS 28 1HB CYS 28 -7.613 6.833 -8.987
192 HB3 CYS 28 2HB CYS 28 -6.334 5.623 -8.988
193 H GLN 29 H GLN 29 -4.975 9.217 -11.474
194 HA GLN 29 HA GLN 29 -5.533 11.421 -11.761
195 HB2 GLN 29 1HB GLN 29 -8.076 10.138 -12.771
196 HB3 GLN 29 2HB GLN 29 -7.498 11.748 -13.177
197 HG2 GLN 29 1HG GLN 29 -6.264 9.113 -13.930
198 HG3 GLN 29 2HG GLN 29 -7.005 10.303 -14.999
199 HE21 GLN 29 1HE2 GLN 29 -5.880 12.620 -13.965
200 HE22 GLN 29 2HE2 GLN 29 -4.184 12.611 -14.290
201 H GLN 30 H GLN 30 -6.299 10.216 -9.157
202 HA GLN 30 HA GLN 30 -8.795 11.407 -8.401
203 HB2 GLN 30 1HB GLN 30 -6.570 10.083 -6.865
204 HB3 GLN 30 2HB GLN 30 -7.937 10.833 -6.051
205 HG2 GLN 30 1HG GLN 30 -9.464 9.344 -7.238
206 HG3 GLN 30 2HG GLN 30 -8.095 8.593 -8.055
207 HE21 GLN 30 1HE2 GLN 30 -9.864 7.100 -6.590
208 HE22 GLN 30 2HE2 GLN 30 -9.082 6.501 -5.171
209 H SER 31 H SER 31 -9.176 13.337 -7.462
210 HA SER 31 HA SER 31 -7.068 15.303 -7.529
211 HB2 SER 31 1HB SER 31 -9.479 15.718 -8.222
212 HB3 SER 31 2HB SER 31 -9.881 15.703 -6.505
213 HG SER 31 HG SER 31 -8.565 17.614 -8.004
214 H CYS 32 H CYS 32 -8.833 13.499 -5.106
215 HA CYS 32 HA CYS 32 -8.011 15.039 -2.865
216 HB2 CYS 32 1HB CYS 32 -9.133 12.268 -3.197
217 HB3 CYS 32 2HB CYS 32 -8.611 12.853 -1.620
218 H LYS 33 H LYS 33 -5.908 15.328 -2.463
219 HA LYS 33 HA LYS 33 -3.828 13.597 -3.164
220 HB2 LYS 33 1HB LYS 33 -3.859 16.109 -2.325
221 HB3 LYS 33 2HB LYS 33 -3.550 15.355 -0.766
222 HG2 LYS 33 1HG LYS 33 -1.866 14.598 -3.104
223 HG3 LYS 33 2HG LYS 33 -1.578 16.137 -2.288
224 HD2 LYS 33 1HD LYS 33 -1.787 13.578 -0.736
225 HD3 LYS 33 2HD LYS 33 -0.270 14.054 -1.504
226 HE2 LYS 33 1HE LYS 33 -0.082 15.985 -0.185
227 HE3 LYS 33 2HE LYS 33 -1.777 15.925 0.298
228 HZ1 LYS 33 3HZ LYS 33 -1.378 14.278 1.824
229 HZ2 LYS 33 1HZ LYS 33 0.066 15.154 1.929
230 HZ3 LYS 33 2HZ LYS 33 0.013 13.715 1.042
231 H ALA 34 H ALA 34 -5.808 13.774 -0.272
232 HA ALA 34 HA ALA 34 -4.239 11.683 1.027
233 HB1 ALA 34 3HB ALA 34 -6.724 12.885 2.183
234 HB2 ALA 34 1HB ALA 34 -5.311 12.226 3.008
235 HB3 ALA 34 2HB ALA 34 -5.206 13.784 2.186
236 H ALA 35 H ALA 35 -5.591 10.945 -1.353
237 HA ALA 35 HA ALA 35 -7.977 9.496 -0.560
238 HB1 ALA 35 3HB ALA 35 -6.532 9.553 -3.207
239 HB2 ALA 35 1HB ALA 35 -8.113 8.832 -2.901
240 HB3 ALA 35 2HB ALA 35 -7.895 10.577 -2.752
241 HA PRO 36 HA PRO 36 -6.049 5.657 0.360
242 HB2 PRO 36 1HB PRO 36 -8.005 3.930 -0.390
243 HB3 PRO 36 2HB PRO 36 -8.115 4.938 1.059
244 HG2 PRO 36 1HG PRO 36 -9.326 5.369 -1.645
245 HG3 PRO 36 2HG PRO 36 -10.052 5.599 -0.043
246 HD2 PRO 36 1HD PRO 36 -9.092 7.658 -1.518
247 HD3 PRO 36 2HD PRO 36 -9.046 7.651 0.256
248 H GLY 37 H GLY 37 -4.580 4.432 -0.654
249 HA2 GLY 37 1HA GLY 37 -3.795 4.560 -3.218
250 HA3 GLY 37 2HA GLY 37 -3.649 3.074 -2.292
251 H CYS 38 H CYS 38 -5.009 4.525 -5.000
252 HA CYS 38 HA CYS 38 -7.429 3.309 -5.416
253 HB2 CYS 38 1HB CYS 38 -6.798 3.322 -7.874
254 HB3 CYS 38 2HB CYS 38 -6.653 4.864 -7.036
255 H THR 39 H THR 39 -4.230 1.891 -5.650
256 HA THR 39 HA THR 39 -5.064 -0.545 -6.871
257 HB THR 39 HB THR 39 -2.833 -1.407 -6.132
258 HG1 THR 39 HG1 THR 39 -2.465 1.240 -5.142
259 HG21 THR 39 3HG2 THR 39 -3.303 -0.001 -8.242
260 HG22 THR 39 1HG2 THR 39 -1.628 -0.199 -7.729
261 HG23 THR 39 2HG2 THR 39 -2.486 1.302 -7.378
262 H LEU 40 H LEU 40 -6.359 -1.971 -5.924
263 HA LEU 40 HA LEU 40 -5.907 -2.603 -3.085
264 HB2 LEU 40 1HB LEU 40 -8.037 -1.217 -3.782
265 HB3 LEU 40 2HB LEU 40 -8.646 -2.807 -4.240
266 HG LEU 40 HG LEU 40 -7.612 -2.194 -1.481
267 HD11 LEU 40 1HD1 LEU 40 -9.557 -0.731 -2.218
268 HD12 LEU 40 2HD1 LEU 40 -9.782 -1.685 -0.752
269 HD13 LEU 40 3HD1 LEU 40 -10.508 -2.214 -2.270
270 HD21 LEU 40 3HD2 LEU 40 -9.321 -4.139 -1.091
271 HD22 LEU 40 1HD2 LEU 40 -7.687 -4.483 -1.659
272 HD23 LEU 40 2HD2 LEU 40 -9.030 -4.461 -2.801
273 H TRP 41 H TRP 41 -5.493 -4.679 -2.741
274 HA TRP 41 HA TRP 41 -5.341 -6.582 -4.780
275 HB2 TRP 41 1HB TRP 41 -5.702 -7.357 -1.899
276 HB3 TRP 41 2HB TRP 41 -4.701 -8.119 -3.130
277 HD1 TRP 41 HD1 TRP 41 -4.085 -6.500 -0.108
278 HE1 TRP 41 HE1 TRP 41 -1.928 -5.096 -0.098
279 HE3 TRP 41 HE3 TRP 41 -3.350 -6.104 -5.152
280 HZ2 TRP 41 HZ2 TRP 41 -0.150 -3.970 -1.978
281 HZ3 TRP 41 HZ3 TRP 41 -1.397 -4.846 -5.963
282 HH2 TRP 41 HH2 TRP 41 0.168 -3.801 -4.408
283 H GLU 42 H GLU 42 -6.814 -7.811 -5.747
284 HA GLU 42 HA GLU 42 -9.321 -8.407 -4.339
285 HB2 GLU 42 1HB GLU 42 -9.045 -7.291 -7.129
286 HB3 GLU 42 2HB GLU 42 -10.509 -8.078 -6.555
287 HG2 GLU 42 1HG GLU 42 -10.943 -6.394 -4.992
288 HG3 GLU 42 2HG GLU 42 -9.306 -5.750 -5.103
289 H ALA 43 H ALA 43 -9.935 -10.475 -4.485
290 HA ALA 43 HA ALA 43 -8.444 -12.211 -6.333
291 HB1 ALA 43 3HB ALA 43 -9.296 -12.485 -3.564
292 HB2 ALA 43 1HB ALA 43 -9.716 -13.882 -4.555
293 HB3 ALA 43 2HB ALA 43 -8.039 -13.344 -4.453
294 H TYR 44 H TYR 44 -11.695 -11.750 -4.959
295 HA TYR 44 HA TYR 44 -13.767 -12.299 -5.725
296 HB2 TYR 44 1HB TYR 44 -12.890 -10.695 -7.519
297 HB3 TYR 44 2HB TYR 44 -12.614 -12.128 -8.504
298 HD1 TYR 44 HD1 TYR 44 -15.321 -10.488 -6.518
299 HD2 TYR 44 HD2 TYR 44 -14.304 -12.845 -9.910
300 HE1 TYR 44 HE1 TYR 44 -17.665 -10.420 -7.259
301 HE2 TYR 44 HE2 TYR 44 -16.646 -12.783 -10.662
302 HH TYR 44 HH TYR 44 -19.124 -12.188 -8.909
303 H SER 45 H SER 45 -12.213 -14.488 -5.019
304 HA SER 45 HA SER 45 -12.537 -16.493 -7.104
305 HB2 SER 45 1HB SER 45 -11.433 -18.010 -5.471
306 HB3 SER 45 2HB SER 45 -10.480 -16.565 -5.807
307 HG SER 45 HG SER 45 -10.850 -17.289 -3.503
308 H GLY 46 H GLY 46 -13.760 -15.792 -3.849
309 HA2 GLY 46 1HA GLY 46 -16.097 -17.470 -4.468
310 HA3 GLY 46 2HA GLY 46 -15.234 -17.716 -2.957
311 HA PRO 47 HA PRO 47 -18.641 -14.487 -2.508
312 HB2 PRO 47 1HB PRO 47 -20.166 -15.876 -0.742
313 HB3 PRO 47 2HB PRO 47 -20.373 -15.997 -2.494
314 HG2 PRO 47 1HG PRO 47 -18.928 -17.836 -0.627
315 HG3 PRO 47 2HG PRO 47 -20.010 -18.235 -1.973
316 HD2 PRO 47 1HD PRO 47 -17.313 -18.352 -2.189
317 HD3 PRO 47 2HD PRO 47 -18.363 -17.922 -3.555
318 H SER 48 H SER 48 -18.635 -13.026 -0.864
319 HA SER 48 HA SER 48 -17.202 -13.771 1.601
320 HB2 SER 48 1HB SER 48 -15.842 -12.305 0.114
321 HB3 SER 48 2HB SER 48 -17.103 -11.076 0.225
322 HG SER 48 HG SER 48 -16.098 -12.104 2.611
323 H SER 49 H SER 49 -19.395 -11.319 0.228
324 HA SER 49 HA SER 49 -21.093 -10.112 1.158
325 HB2 SER 49 1HB SER 49 -21.459 -12.854 2.342
326 HB3 SER 49 2HB SER 49 -22.570 -11.541 2.736
327 HG SER 49 HG SER 49 -22.672 -11.315 0.315
328 H GLY 50 H GLY 50 -18.645 -9.599 2.367
329 HA2 GLY 50 1HA GLY 50 -19.354 -9.351 5.222
330 HA3 GLY 50 2HA GLY 50 -17.709 -9.403 4.611
Start of MODEL 3
1 H1 GLY 1 H GLY 1 5.666 14.605 20.171
2 HA2 GLY 1 1HA GLY 1 6.721 12.432 21.379
3 HA3 GLY 1 2HA GLY 1 6.427 12.483 19.647
4 H SER 2 H SER 2 8.693 11.778 21.881
5 HA SER 2 HA SER 2 10.879 12.322 19.987
6 HB2 SER 2 1HB SER 2 12.387 12.663 21.946
7 HB3 SER 2 2HB SER 2 11.135 13.896 21.812
8 HG SER 2 HG SER 2 10.662 11.619 23.380
9 H SER 3 H SER 3 12.842 10.925 20.515
10 HA SER 3 HA SER 3 13.709 8.816 20.473
11 HB2 SER 3 1HB SER 3 11.976 8.718 22.943
12 HB3 SER 3 2HB SER 3 13.047 7.394 22.483
13 HG SER 3 HG SER 3 14.128 9.963 22.563
14 H GLY 4 H GLY 4 11.600 9.145 18.696
15 HA2 GLY 4 1HA GLY 4 9.615 7.129 18.913
16 HA3 GLY 4 2HA GLY 4 10.070 7.976 17.441
17 H SER 5 H SER 5 10.018 6.186 16.117
18 HA SER 5 HA SER 5 12.378 4.562 16.127
19 HB2 SER 5 1HB SER 5 10.701 3.455 17.768
20 HB3 SER 5 2HB SER 5 9.810 3.005 16.315
21 HG SER 5 HG SER 5 11.341 1.626 15.782
22 H SER 6 H SER 6 12.930 4.236 14.078
23 HA SER 6 HA SER 6 11.218 5.019 11.946
24 HB2 SER 6 1HB SER 6 13.969 3.837 12.122
25 HB3 SER 6 2HB SER 6 13.152 3.921 10.562
26 HG SER 6 HG SER 6 12.990 6.155 10.817
27 H GLY 7 H GLY 7 9.702 3.862 10.967
28 HA2 GLY 7 1HA GLY 7 9.597 0.977 11.426
29 HA3 GLY 7 2HA GLY 7 8.300 1.973 10.784
30 H ASN 8 H ASN 8 7.809 1.118 8.863
31 HA ASN 8 HA ASN 8 9.536 1.408 6.661
32 HB2 ASN 8 1HB ASN 8 10.768 -0.478 7.399
33 HB3 ASN 8 2HB ASN 8 9.306 -1.365 7.822
34 HD21 ASN 8 1HD2 ASN 8 11.710 -1.559 5.825
35 HD22 ASN 8 2HD2 ASN 8 10.941 -2.125 4.385
36 HA PRO 9 HA PRO 9 5.599 1.229 4.702
37 HB2 PRO 9 1HB PRO 9 6.408 0.945 2.125
38 HB3 PRO 9 2HB PRO 9 6.549 2.467 3.015
39 HG2 PRO 9 1HG PRO 9 8.632 0.383 2.483
40 HG3 PRO 9 2HG PRO 9 8.769 2.149 2.400
41 HD2 PRO 9 1HD PRO 9 9.661 0.717 4.518
42 HD3 PRO 9 2HD PRO 9 9.016 2.364 4.680
43 H HIS 10 H HIS 10 4.375 -0.532 5.019
44 HA HIS 10 HA HIS 10 5.110 -3.182 4.797
45 HB2 HIS 10 1HB HIS 10 2.363 -2.000 4.344
46 HB3 HIS 10 2HB HIS 10 2.701 -3.693 4.688
47 HD2 HIS 10 HD2 HIS 10 0.839 -2.428 6.863
48 HE1 HIS 10 HE1 HIS 10 4.320 -1.737 9.188
49 HE2 HIS 10 HE2 HIS 10 1.814 -1.987 9.217
50 H LEU 11 H LEU 11 4.526 -4.819 3.230
51 HA LEU 11 HA LEU 11 4.838 -3.824 0.495
52 HB2 LEU 11 1HB LEU 11 5.548 -6.044 -0.080
53 HB3 LEU 11 2HB LEU 11 6.433 -5.498 1.342
54 HG LEU 11 HG LEU 11 4.003 -7.176 1.736
55 HD11 LEU 11 1HD1 LEU 11 6.482 -8.034 0.387
56 HD12 LEU 11 2HD1 LEU 11 4.852 -8.702 0.308
57 HD13 LEU 11 3HD1 LEU 11 5.892 -9.078 1.680
58 HD21 LEU 11 3HD2 LEU 11 6.248 -6.222 3.268
59 HD22 LEU 11 1HD2 LEU 11 6.143 -7.981 3.338
60 HD23 LEU 11 2HD2 LEU 11 4.760 -6.996 3.817
61 H LEU 12 H LEU 12 2.629 -5.559 2.554
62 HA LEU 12 HA LEU 12 0.864 -6.125 0.282
63 HB2 LEU 12 1HB LEU 12 -0.322 -7.610 1.718
64 HB3 LEU 12 2HB LEU 12 1.402 -7.939 1.889
65 HG LEU 12 HG LEU 12 0.095 -6.125 3.860
66 HD11 LEU 12 1HD1 LEU 12 -1.073 -8.543 3.347
67 HD12 LEU 12 2HD1 LEU 12 -1.139 -7.680 4.883
68 HD13 LEU 12 3HD1 LEU 12 0.069 -8.941 4.631
69 HD21 LEU 12 3HD2 LEU 12 2.555 -7.642 3.567
70 HD22 LEU 12 1HD2 LEU 12 1.768 -7.920 5.122
71 HD23 LEU 12 2HD2 LEU 12 2.183 -6.279 4.624
72 H VAL 13 H VAL 13 1.177 -3.432 1.063
73 HA VAL 13 HA VAL 13 -1.516 -2.862 2.118
74 HB VAL 13 HB VAL 13 0.276 -2.232 3.728
75 HG11 VAL 13 1HG1 VAL 13 1.059 -0.211 1.631
76 HG12 VAL 13 2HG1 VAL 13 1.758 -0.387 3.242
77 HG13 VAL 13 3HG1 VAL 13 1.985 -1.655 2.038
78 HG21 VAL 13 3HG2 VAL 13 -0.563 0.420 3.308
79 HG22 VAL 13 1HG2 VAL 13 -1.869 -0.616 2.734
80 HG23 VAL 13 2HG2 VAL 13 -1.274 -0.782 4.385
81 H LYS 14 H LYS 14 -2.785 -1.701 0.824
82 HA LYS 14 HA LYS 14 -2.307 -1.126 -1.790
83 HB2 LYS 14 1HB LYS 14 -4.174 0.435 -1.708
84 HB3 LYS 14 2HB LYS 14 -4.524 -0.984 -0.729
85 HG2 LYS 14 1HG LYS 14 -4.284 0.184 1.270
86 HG3 LYS 14 2HG LYS 14 -3.397 1.502 0.501
87 HD2 LYS 14 1HD LYS 14 -5.439 2.499 0.723
88 HD3 LYS 14 2HD LYS 14 -5.656 1.744 -0.858
89 HE2 LYS 14 1HE LYS 14 -7.584 1.102 0.220
90 HE3 LYS 14 2HE LYS 14 -6.531 -0.274 0.547
91 HZ1 LYS 14 3HZ LYS 14 -7.875 0.850 2.456
92 HZ2 LYS 14 1HZ LYS 14 -6.589 1.950 2.461
93 HZ3 LYS 14 2HZ LYS 14 -6.297 0.305 2.731
94 H TYR 15 H TYR 15 -1.532 0.571 -2.998
95 HA TYR 15 HA TYR 15 -0.519 2.944 -1.653
96 HB2 TYR 15 1HB TYR 15 1.729 2.701 -2.280
97 HB3 TYR 15 2HB TYR 15 1.283 1.104 -1.689
98 HD1 TYR 15 HD2 TYR 15 0.135 -0.358 -3.736
99 HD2 TYR 15 HD1 TYR 15 3.104 2.666 -4.120
100 HE1 TYR 15 HE2 TYR 15 0.866 -1.354 -5.863
101 HE2 TYR 15 HE1 TYR 15 3.841 1.680 -6.249
102 HH TYR 15 HH TYR 15 3.003 0.249 -8.004
103 H HIS 16 H HIS 16 0.491 4.463 -3.342
104 HA HIS 16 HA HIS 16 -1.335 4.541 -5.623
105 HB2 HIS 16 1HB HIS 16 0.285 6.578 -4.152
106 HB3 HIS 16 2HB HIS 16 -0.163 6.899 -5.825
107 HD2 HIS 16 HD2 HIS 16 -1.535 7.616 -2.464
108 HE1 HIS 16 HE1 HIS 16 -4.949 7.302 -4.963
109 HE2 HIS 16 HE2 HIS 16 -4.054 8.125 -2.758
110 H SER 17 H SER 17 -0.649 3.672 -7.458
111 HA SER 17 HA SER 17 2.165 3.316 -7.994
112 HB2 SER 17 1HB SER 17 1.433 2.105 -9.979
113 HB3 SER 17 2HB SER 17 0.496 1.574 -8.582
114 HG SER 17 HG SER 17 -1.246 2.291 -9.507
115 H GLY 18 H GLY 18 1.523 6.020 -7.794
116 HA2 GLY 18 1HA GLY 18 2.512 6.959 -10.327
117 HA3 GLY 18 2HA GLY 18 0.856 7.456 -10.016
118 H PHE 19 H PHE 19 2.197 9.558 -10.283
119 HA PHE 19 HA PHE 19 3.091 10.405 -7.605
120 HB2 PHE 19 1HB PHE 19 4.004 11.531 -10.261
121 HB3 PHE 19 2HB PHE 19 4.596 11.992 -8.668
122 HD1 PHE 19 HD2 PHE 19 5.740 10.179 -7.270
123 HD2 PHE 19 HD1 PHE 19 5.036 9.830 -11.453
124 HE1 PHE 19 HE2 PHE 19 7.483 8.449 -7.416
125 HE2 PHE 19 HE1 PHE 19 6.778 8.099 -11.606
126 HZ PHE 19 HZ PHE 19 8.005 7.408 -9.586
127 H PHE 20 H PHE 20 2.700 12.668 -7.077
128 HA PHE 20 HA PHE 20 0.104 13.527 -8.102
129 HB2 PHE 20 1HB PHE 20 0.383 13.332 -5.666
130 HB3 PHE 20 2HB PHE 20 1.690 14.512 -5.721
131 HD1 PHE 20 HD1 PHE 20 -1.934 14.034 -6.185
132 HD2 PHE 20 HD2 PHE 20 1.248 16.834 -5.799
133 HE1 PHE 20 HE1 PHE 20 -3.571 15.850 -5.907
134 HE2 PHE 20 HE2 PHE 20 -0.384 18.654 -5.519
135 HZ PHE 20 HZ PHE 20 -2.796 18.164 -5.572
136 H VAL 21 H VAL 21 0.341 14.684 -9.929
137 HA VAL 21 HA VAL 21 2.037 17.082 -9.784
138 HB VAL 21 HB VAL 21 1.732 15.353 -12.243
139 HG11 VAL 21 1HG1 VAL 21 2.752 16.956 -13.433
140 HG12 VAL 21 2HG1 VAL 21 2.235 18.029 -12.131
141 HG13 VAL 21 3HG1 VAL 21 3.865 17.356 -12.125
142 HG21 VAL 21 3HG2 VAL 21 4.092 15.703 -10.395
143 HG22 VAL 21 1HG2 VAL 21 3.119 14.245 -10.585
144 HG23 VAL 21 2HG2 VAL 21 4.113 14.823 -11.923
145 H ASP 22 H ASP 22 1.142 18.928 -10.552
146 HA ASP 22 HA ASP 22 -0.368 20.363 -11.488
147 HB2 ASP 22 1HB ASP 22 -0.360 18.484 -13.324
148 HB3 ASP 22 2HB ASP 22 -1.950 18.107 -12.664
149 H GLY 23 H GLY 23 -0.674 19.385 -8.869
150 HA2 GLY 23 1HA GLY 23 -2.198 19.392 -7.154
151 HA3 GLY 23 2HA GLY 23 -3.265 20.253 -8.254
152 H LYS 24 H LYS 24 -2.017 17.028 -8.847
153 HA LYS 24 HA LYS 24 -4.248 15.609 -7.831
154 HB2 LYS 24 1HB LYS 24 -5.436 15.065 -9.824
155 HB3 LYS 24 2HB LYS 24 -5.291 16.817 -9.780
156 HG2 LYS 24 1HG LYS 24 -3.419 16.693 -11.357
157 HG3 LYS 24 2HG LYS 24 -3.601 14.938 -11.418
158 HD2 LYS 24 1HD LYS 24 -5.633 15.064 -12.542
159 HD3 LYS 24 2HD LYS 24 -5.920 16.731 -12.037
160 HE2 LYS 24 1HE LYS 24 -4.122 17.491 -13.497
161 HE3 LYS 24 2HE LYS 24 -3.791 15.827 -13.976
162 HZ1 LYS 24 3HZ LYS 24 -5.188 16.266 -15.644
163 HZ2 LYS 24 1HZ LYS 24 -5.850 17.625 -14.884
164 HZ3 LYS 24 2HZ LYS 24 -6.423 16.080 -14.504
165 H PHE 25 H PHE 25 -4.294 13.311 -8.778
166 HA PHE 25 HA PHE 25 -1.538 12.389 -8.895
167 HB2 PHE 25 1HB PHE 25 -4.165 10.938 -8.555
168 HB3 PHE 25 2HB PHE 25 -2.615 10.112 -8.679
169 HD1 PHE 25 HD1 PHE 25 -0.912 10.413 -6.917
170 HD2 PHE 25 HD2 PHE 25 -4.841 12.010 -6.551
171 HE1 PHE 25 HE1 PHE 25 -0.572 10.686 -4.494
172 HE2 PHE 25 HE2 PHE 25 -4.507 12.286 -4.129
173 HZ PHE 25 HZ PHE 25 -2.371 11.625 -3.099
174 H LEU 26 H LEU 26 -1.222 10.359 -10.346
175 HA LEU 26 HA LEU 26 -2.361 10.927 -13.003
176 HB2 LEU 26 1HB LEU 26 0.412 9.884 -12.474
177 HB3 LEU 26 2HB LEU 26 -0.266 10.397 -14.018
178 HG LEU 26 HG LEU 26 0.331 12.211 -11.681
179 HD11 LEU 26 1HD1 LEU 26 1.947 13.038 -13.659
180 HD12 LEU 26 2HD1 LEU 26 1.915 11.308 -13.999
181 HD13 LEU 26 3HD1 LEU 26 2.438 11.886 -12.417
182 HD21 LEU 26 3HD2 LEU 26 -0.032 13.988 -13.415
183 HD22 LEU 26 1HD2 LEU 26 -1.484 13.114 -12.926
184 HD23 LEU 26 2HD2 LEU 26 -0.702 12.736 -14.461
185 H CYS 27 H CYS 27 -1.485 8.570 -10.626
186 HA CYS 27 HA CYS 27 -1.777 6.282 -12.329
187 HB2 CYS 27 1HB CYS 27 -1.898 5.083 -10.047
188 HB3 CYS 27 2HB CYS 27 -0.397 5.898 -10.475
189 H CYS 28 H CYS 28 -3.818 7.938 -9.957
190 HA CYS 28 HA CYS 28 -6.092 6.308 -10.880
191 HB2 CYS 28 1HB CYS 28 -7.092 7.219 -8.624
192 HB3 CYS 28 2HB CYS 28 -6.009 5.830 -8.622
193 H GLN 29 H GLN 29 -4.787 9.472 -10.568
194 HA GLN 29 HA GLN 29 -5.531 11.537 -11.165
195 HB2 GLN 29 1HB GLN 29 -7.441 9.911 -12.853
196 HB3 GLN 29 2HB GLN 29 -7.150 11.636 -13.035
197 HG2 GLN 29 1HG GLN 29 -4.821 9.801 -13.160
198 HG3 GLN 29 2HG GLN 29 -5.925 9.852 -14.533
199 HE21 GLN 29 1HE2 GLN 29 -3.309 10.599 -14.808
200 HE22 GLN 29 2HE2 GLN 29 -3.215 12.303 -15.078
201 H GLN 30 H GLN 30 -6.506 10.681 -8.750
202 HA GLN 30 HA GLN 30 -9.363 11.098 -8.644
203 HB2 GLN 30 1HB GLN 30 -7.230 10.507 -6.623
204 HB3 GLN 30 2HB GLN 30 -8.806 11.079 -6.091
205 HG2 GLN 30 1HG GLN 30 -9.681 9.147 -7.625
206 HG3 GLN 30 2HG GLN 30 -8.056 8.507 -7.381
207 HE21 GLN 30 1HE2 GLN 30 -8.223 6.925 -5.958
208 HE22 GLN 30 2HE2 GLN 30 -9.051 7.008 -4.444
209 H SER 31 H SER 31 -10.037 12.637 -6.696
210 HA SER 31 HA SER 31 -8.991 15.272 -7.432
211 HB2 SER 31 1HB SER 31 -11.468 14.757 -7.567
212 HB3 SER 31 2HB SER 31 -11.468 14.676 -5.806
213 HG SER 31 HG SER 31 -11.852 16.800 -7.147
214 H CYS 32 H CYS 32 -9.974 13.488 -4.507
215 HA CYS 32 HA CYS 32 -8.998 15.319 -2.638
216 HB2 CYS 32 1HB CYS 32 -9.453 12.344 -2.512
217 HB3 CYS 32 2HB CYS 32 -8.870 13.254 -1.122
218 H LYS 33 H LYS 33 -7.044 15.696 -1.739
219 HA LYS 33 HA LYS 33 -4.714 14.810 -3.112
220 HB2 LYS 33 1HB LYS 33 -5.132 16.418 -0.596
221 HB3 LYS 33 2HB LYS 33 -3.529 16.023 -1.205
222 HG2 LYS 33 1HG LYS 33 -4.236 17.113 -3.377
223 HG3 LYS 33 2HG LYS 33 -5.639 17.723 -2.498
224 HD2 LYS 33 1HD LYS 33 -4.145 19.472 -2.284
225 HD3 LYS 33 2HD LYS 33 -3.862 18.572 -0.793
226 HE2 LYS 33 1HE LYS 33 -2.083 17.339 -2.329
227 HE3 LYS 33 2HE LYS 33 -2.143 18.872 -3.198
228 HZ1 LYS 33 3HZ LYS 33 -0.523 18.462 -1.166
229 HZ2 LYS 33 1HZ LYS 33 -1.871 19.002 -0.297
230 HZ3 LYS 33 2HZ LYS 33 -1.187 19.983 -1.493
231 H ALA 34 H ALA 34 -5.985 14.196 0.153
232 HA ALA 34 HA ALA 34 -3.944 12.202 0.659
233 HB1 ALA 34 3HB ALA 34 -6.268 12.523 2.478
234 HB2 ALA 34 1HB ALA 34 -4.560 12.294 2.850
235 HB3 ALA 34 2HB ALA 34 -5.145 13.874 2.328
236 H ALA 35 H ALA 35 -5.545 11.579 -1.563
237 HA ALA 35 HA ALA 35 -7.673 9.821 -0.949
238 HB1 ALA 35 3HB ALA 35 -6.729 10.933 -3.234
239 HB2 ALA 35 1HB ALA 35 -6.183 9.266 -3.418
240 HB3 ALA 35 2HB ALA 35 -7.895 9.612 -3.175
241 HA PRO 36 HA PRO 36 -5.611 6.168 0.363
242 HB2 PRO 36 1HB PRO 36 -7.399 4.294 -0.456
243 HB3 PRO 36 2HB PRO 36 -7.689 5.363 0.923
244 HG2 PRO 36 1HG PRO 36 -8.682 5.592 -1.892
245 HG3 PRO 36 2HG PRO 36 -9.556 5.857 -0.372
246 HD2 PRO 36 1HD PRO 36 -8.584 7.894 -1.868
247 HD3 PRO 36 2HD PRO 36 -8.692 7.975 -0.097
248 H GLY 37 H GLY 37 -4.548 4.254 -0.396
249 HA2 GLY 37 1HA GLY 37 -3.270 4.516 -2.865
250 HA3 GLY 37 2HA GLY 37 -3.300 3.049 -1.897
251 H CYS 38 H CYS 38 -4.712 4.759 -4.569
252 HA CYS 38 HA CYS 38 -6.964 3.429 -5.223
253 HB2 CYS 38 1HB CYS 38 -6.276 3.658 -7.631
254 HB3 CYS 38 2HB CYS 38 -6.132 5.135 -6.683
255 H THR 39 H THR 39 -3.674 2.230 -5.805
256 HA THR 39 HA THR 39 -4.536 -0.236 -6.954
257 HB THR 39 HB THR 39 -1.844 0.445 -5.755
258 HG1 THR 39 HG1 THR 39 -1.375 0.728 -8.096
259 HG21 THR 39 3HG2 THR 39 -2.484 -2.010 -6.170
260 HG22 THR 39 1HG2 THR 39 -0.972 -1.424 -6.865
261 HG23 THR 39 2HG2 THR 39 -2.401 -1.599 -7.884
262 H LEU 40 H LEU 40 -6.071 -0.943 -5.350
263 HA LEU 40 HA LEU 40 -5.563 -1.422 -2.673
264 HB2 LEU 40 1HB LEU 40 -7.365 -2.681 -4.689
265 HB3 LEU 40 2HB LEU 40 -7.221 -3.409 -3.090
266 HG LEU 40 HG LEU 40 -9.177 -1.943 -3.274
267 HD11 LEU 40 1HD1 LEU 40 -7.351 -0.466 -1.457
268 HD12 LEU 40 2HD1 LEU 40 -7.585 -2.192 -1.179
269 HD13 LEU 40 3HD1 LEU 40 -8.972 -1.101 -1.167
270 HD21 LEU 40 3HD2 LEU 40 -8.384 -0.350 -4.897
271 HD22 LEU 40 1HD2 LEU 40 -7.126 0.206 -3.792
272 HD23 LEU 40 2HD2 LEU 40 -8.824 0.504 -3.417
273 H TRP 41 H TRP 41 -5.675 -3.871 -1.843
274 HA TRP 41 HA TRP 41 -3.200 -5.086 -2.825
275 HB2 TRP 41 1HB TRP 41 -3.707 -6.518 -0.629
276 HB3 TRP 41 2HB TRP 41 -2.919 -4.944 -0.560
277 HD1 TRP 41 HD1 TRP 41 -3.906 -3.417 1.225
278 HE1 TRP 41 HE1 TRP 41 -6.197 -3.136 2.365
279 HE3 TRP 41 HE3 TRP 41 -6.523 -7.000 -1.315
280 HZ2 TRP 41 HZ2 TRP 41 -8.772 -4.283 2.209
281 HZ3 TRP 41 HZ3 TRP 41 -8.895 -7.345 -0.760
282 HH2 TRP 41 HH2 TRP 41 -9.994 -6.014 0.967
283 H GLU 42 H GLU 42 -5.649 -5.376 -4.324
284 HA GLU 42 HA GLU 42 -6.680 -8.015 -3.829
285 HB2 GLU 42 1HB GLU 42 -7.933 -7.668 -5.928
286 HB3 GLU 42 2HB GLU 42 -8.138 -6.337 -4.798
287 HG2 GLU 42 1HG GLU 42 -6.570 -4.988 -6.046
288 HG3 GLU 42 2HG GLU 42 -6.251 -6.330 -7.142
289 H ALA 43 H ALA 43 -6.681 -9.668 -5.603
290 HA ALA 43 HA ALA 43 -4.253 -9.652 -7.235
291 HB1 ALA 43 3HB ALA 43 -3.399 -10.784 -5.379
292 HB2 ALA 43 1HB ALA 43 -4.902 -11.667 -5.109
293 HB3 ALA 43 2HB ALA 43 -3.874 -12.074 -6.484
294 H TYR 44 H TYR 44 -4.287 -11.146 -8.985
295 HA TYR 44 HA TYR 44 -6.859 -11.477 -10.144
296 HB2 TYR 44 1HB TYR 44 -4.631 -11.122 -11.351
297 HB3 TYR 44 2HB TYR 44 -4.341 -12.838 -11.089
298 HD1 TYR 44 HD1 TYR 44 -6.625 -10.415 -12.715
299 HD2 TYR 44 HD2 TYR 44 -5.341 -14.465 -12.481
300 HE1 TYR 44 HE1 TYR 44 -7.910 -10.933 -14.746
301 HE2 TYR 44 HE2 TYR 44 -6.623 -14.995 -14.514
302 HH TYR 44 HH TYR 44 -8.914 -13.657 -15.643
303 H SER 45 H SER 45 -8.200 -12.853 -9.097
304 HA SER 45 HA SER 45 -7.262 -15.625 -8.738
305 HB2 SER 45 1HB SER 45 -9.008 -15.794 -6.944
306 HB3 SER 45 2HB SER 45 -7.712 -14.657 -6.574
307 HG SER 45 HG SER 45 -10.379 -14.139 -7.309
308 H GLY 46 H GLY 46 -10.173 -13.660 -9.345
309 HA2 GLY 46 1HA GLY 46 -11.829 -15.763 -10.185
310 HA3 GLY 46 2HA GLY 46 -12.038 -14.072 -10.616
311 HA PRO 47 HA PRO 47 -10.681 -16.786 -14.285
312 HB2 PRO 47 1HB PRO 47 -13.068 -16.933 -15.570
313 HB3 PRO 47 2HB PRO 47 -12.540 -18.133 -14.383
314 HG2 PRO 47 1HG PRO 47 -14.401 -15.813 -14.033
315 HG3 PRO 47 2HG PRO 47 -14.552 -17.472 -13.423
316 HD2 PRO 47 1HD PRO 47 -13.700 -15.422 -11.872
317 HD3 PRO 47 2HD PRO 47 -13.124 -17.087 -11.656
318 H SER 48 H SER 48 -13.269 -14.326 -14.375
319 HA SER 48 HA SER 48 -11.630 -12.778 -16.259
320 HB2 SER 48 1HB SER 48 -13.367 -14.033 -17.524
321 HB3 SER 48 2HB SER 48 -14.609 -13.232 -16.563
322 HG SER 48 HG SER 48 -14.300 -12.130 -18.511
323 H SER 49 H SER 49 -11.440 -12.031 -13.789
324 HA SER 49 HA SER 49 -13.486 -9.990 -13.267
325 HB2 SER 49 1HB SER 49 -12.760 -9.979 -10.987
326 HB3 SER 49 2HB SER 49 -12.894 -11.670 -11.468
327 HG SER 49 HG SER 49 -10.702 -11.809 -11.598
328 H GLY 50 H GLY 50 -9.948 -10.411 -13.254
329 HA2 GLY 50 1HA GLY 50 -8.477 -8.878 -14.343
330 HA3 GLY 50 2HA GLY 50 -9.702 -7.630 -14.169
Start of MODEL 4
1 H1 GLY 1 H GLY 1 20.997 1.438 11.855
2 HA2 GLY 1 1HA GLY 1 20.829 4.287 12.543
3 HA3 GLY 1 2HA GLY 1 20.084 3.740 11.049
4 H SER 2 H SER 2 17.954 3.813 11.361
5 HA SER 2 HA SER 2 16.751 2.077 13.308
6 HB2 SER 2 1HB SER 2 17.261 4.235 14.565
7 HB3 SER 2 2HB SER 2 16.062 5.008 13.529
8 HG SER 2 HG SER 2 14.825 4.355 15.145
9 H SER 3 H SER 3 14.265 2.365 13.218
10 HA SER 3 HA SER 3 13.539 2.311 10.417
11 HB2 SER 3 1HB SER 3 12.678 0.563 11.886
12 HB3 SER 3 2HB SER 3 11.905 1.774 12.909
13 HG SER 3 HG SER 3 10.924 2.346 10.661
14 H GLY 4 H GLY 4 12.779 4.000 9.339
15 HA2 GLY 4 1HA GLY 4 11.772 6.303 10.859
16 HA3 GLY 4 2HA GLY 4 12.364 6.346 9.204
17 H SER 5 H SER 5 9.997 4.150 10.668
18 HA SER 5 HA SER 5 7.757 5.457 9.450
19 HB2 SER 5 1HB SER 5 9.029 3.099 8.133
20 HB3 SER 5 2HB SER 5 7.268 3.197 8.140
21 HG SER 5 HG SER 5 8.041 4.228 6.309
22 H SER 6 H SER 6 6.074 5.107 10.729
23 HA SER 6 HA SER 6 6.152 2.812 12.554
24 HB2 SER 6 1HB SER 6 5.928 4.866 13.744
25 HB3 SER 6 2HB SER 6 4.669 5.442 12.652
26 HG SER 6 HG SER 6 3.294 4.538 13.940
27 H GLY 7 H GLY 7 4.555 1.297 12.632
28 HA2 GLY 7 1HA GLY 7 3.031 0.805 10.324
29 HA3 GLY 7 2HA GLY 7 2.821 -0.000 11.873
30 H ASN 8 H ASN 8 1.527 2.235 9.663
31 HA ASN 8 HA ASN 8 -0.040 3.905 11.200
32 HB2 ASN 8 1HB ASN 8 -0.297 2.748 8.466
33 HB3 ASN 8 2HB ASN 8 -1.710 3.542 9.154
34 HD21 ASN 8 1HD2 ASN 8 -1.613 5.185 7.623
35 HD22 ASN 8 2HD2 ASN 8 -0.420 6.433 7.693
36 HA PRO 9 HA PRO 9 -3.155 1.514 13.157
37 HB2 PRO 9 1HB PRO 9 -5.341 3.107 12.917
38 HB3 PRO 9 2HB PRO 9 -3.995 3.479 14.001
39 HG2 PRO 9 1HG PRO 9 -4.580 4.555 11.269
40 HG3 PRO 9 2HG PRO 9 -4.030 5.419 12.717
41 HD2 PRO 9 1HD PRO 9 -2.348 4.707 10.718
42 HD3 PRO 9 2HD PRO 9 -1.835 4.782 12.415
43 H HIS 10 H HIS 10 -3.465 2.349 9.842
44 HA HIS 10 HA HIS 10 -5.930 1.047 9.291
45 HB2 HIS 10 1HB HIS 10 -3.607 1.856 7.542
46 HB3 HIS 10 2HB HIS 10 -5.049 1.077 6.901
47 HD2 HIS 10 HD2 HIS 10 -6.737 2.935 5.932
48 HE1 HIS 10 HE1 HIS 10 -5.814 6.079 8.626
49 HE2 HIS 10 HE2 HIS 10 -7.267 5.346 6.704
50 H LEU 11 H LEU 11 -6.376 -1.019 8.697
51 HA LEU 11 HA LEU 11 -4.302 -2.994 9.206
52 HB2 LEU 11 1HB LEU 11 -6.390 -3.408 10.268
53 HB3 LEU 11 2HB LEU 11 -7.271 -3.187 8.758
54 HG LEU 11 HG LEU 11 -5.877 -5.274 7.996
55 HD11 LEU 11 1HD1 LEU 11 -6.115 -6.322 10.689
56 HD12 LEU 11 2HD1 LEU 11 -4.924 -5.027 10.575
57 HD13 LEU 11 3HD1 LEU 11 -4.784 -6.448 9.538
58 HD21 LEU 11 3HD2 LEU 11 -7.978 -6.032 9.931
59 HD22 LEU 11 1HD2 LEU 11 -7.790 -6.460 8.231
60 HD23 LEU 11 2HD2 LEU 11 -8.437 -4.881 8.676
61 H LEU 12 H LEU 12 -6.379 -1.908 6.571
62 HA LEU 12 HA LEU 12 -4.899 -3.677 4.740
63 HB2 LEU 12 1HB LEU 12 -6.896 -3.044 3.196
64 HB3 LEU 12 2HB LEU 12 -7.087 -4.282 4.434
65 HG LEU 12 HG LEU 12 -7.860 -1.461 5.046
66 HD11 LEU 12 1HD1 LEU 12 -10.083 -1.840 4.174
67 HD12 LEU 12 2HD1 LEU 12 -9.610 -3.432 3.582
68 HD13 LEU 12 3HD1 LEU 12 -8.897 -1.981 2.877
69 HD21 LEU 12 3HD2 LEU 12 -8.893 -4.162 5.907
70 HD22 LEU 12 1HD2 LEU 12 -9.498 -2.605 6.471
71 HD23 LEU 12 2HD2 LEU 12 -7.846 -3.095 6.843
72 H VAL 13 H VAL 13 -3.661 -1.348 5.555
73 HA VAL 13 HA VAL 13 -4.038 0.972 4.148
74 HB VAL 13 HB VAL 13 -2.284 0.615 5.880
75 HG11 VAL 13 1HG1 VAL 13 -0.203 -0.188 4.036
76 HG12 VAL 13 2HG1 VAL 13 -0.609 -0.831 5.628
77 HG13 VAL 13 3HG1 VAL 13 -1.448 -1.425 4.195
78 HG21 VAL 13 3HG2 VAL 13 -1.952 2.078 3.361
79 HG22 VAL 13 1HG2 VAL 13 -1.831 2.643 5.028
80 HG23 VAL 13 2HG2 VAL 13 -0.460 1.833 4.267
81 H LYS 14 H LYS 14 -3.708 1.691 2.115
82 HA LYS 14 HA LYS 14 -2.693 -0.259 0.152
83 HB2 LYS 14 1HB LYS 14 -4.685 1.982 -0.246
84 HB3 LYS 14 2HB LYS 14 -4.096 0.913 -1.512
85 HG2 LYS 14 1HG LYS 14 -5.424 -0.213 0.917
86 HG3 LYS 14 2HG LYS 14 -6.384 0.440 -0.413
87 HD2 LYS 14 1HD LYS 14 -5.334 -1.102 -1.963
88 HD3 LYS 14 2HD LYS 14 -4.282 -1.711 -0.683
89 HE2 LYS 14 1HE LYS 14 -6.412 -2.338 0.554
90 HE3 LYS 14 2HE LYS 14 -7.260 -2.025 -0.959
91 HZ1 LYS 14 3HZ LYS 14 -5.650 -4.274 -0.202
92 HZ2 LYS 14 1HZ LYS 14 -5.214 -3.639 -1.708
93 HZ3 LYS 14 2HZ LYS 14 -6.805 -4.139 -1.430
94 H TYR 15 H TYR 15 -2.009 1.004 -1.957
95 HA TYR 15 HA TYR 15 -0.469 3.393 -1.240
96 HB2 TYR 15 1HB TYR 15 1.565 2.553 -2.108
97 HB3 TYR 15 2HB TYR 15 0.932 1.266 -1.087
98 HD1 TYR 15 HD2 TYR 15 0.082 -0.798 -2.068
99 HD2 TYR 15 HD1 TYR 15 1.672 2.299 -4.516
100 HE1 TYR 15 HE2 TYR 15 0.231 -2.372 -3.954
101 HE2 TYR 15 HE1 TYR 15 1.824 0.734 -6.407
102 HH TYR 15 HH TYR 15 1.343 -1.309 -7.150
103 H HIS 16 H HIS 16 0.381 4.537 -3.165
104 HA HIS 16 HA HIS 16 -1.513 4.287 -5.402
105 HB2 HIS 16 1HB HIS 16 -0.142 6.611 -4.122
106 HB3 HIS 16 2HB HIS 16 -0.537 6.712 -5.835
107 HD2 HIS 16 HD2 HIS 16 -2.166 7.393 -2.510
108 HE1 HIS 16 HE1 HIS 16 -5.342 6.951 -5.288
109 HE2 HIS 16 HE2 HIS 16 -4.677 7.776 -3.004
110 H SER 17 H SER 17 -0.805 3.864 -7.405
111 HA SER 17 HA SER 17 2.049 3.389 -7.761
112 HB2 SER 17 1HB SER 17 1.469 2.065 -9.643
113 HB3 SER 17 2HB SER 17 0.237 1.715 -8.430
114 HG SER 17 HG SER 17 -1.207 2.480 -9.740
115 H GLY 18 H GLY 18 1.230 6.105 -7.590
116 HA2 GLY 18 1HA GLY 18 2.423 7.087 -10.018
117 HA3 GLY 18 2HA GLY 18 0.722 7.503 -9.874
118 H PHE 19 H PHE 19 2.262 9.600 -10.046
119 HA PHE 19 HA PHE 19 2.892 10.490 -7.321
120 HB2 PHE 19 1HB PHE 19 3.610 11.818 -9.940
121 HB3 PHE 19 2HB PHE 19 4.206 12.252 -8.341
122 HD1 PHE 19 HD2 PHE 19 5.230 10.072 -7.063
123 HD2 PHE 19 HD1 PHE 19 5.098 10.711 -11.270
124 HE1 PHE 19 HE2 PHE 19 7.127 8.533 -7.353
125 HE2 PHE 19 HE1 PHE 19 6.994 9.171 -11.566
126 HZ PHE 19 HZ PHE 19 8.012 8.081 -9.606
127 H PHE 20 H PHE 20 2.625 13.105 -7.332
128 HA PHE 20 HA PHE 20 -0.189 13.589 -8.063
129 HB2 PHE 20 1HB PHE 20 0.266 13.371 -5.598
130 HB3 PHE 20 2HB PHE 20 1.278 14.806 -5.718
131 HD1 PHE 20 HD1 PHE 20 -2.174 13.551 -6.130
132 HD2 PHE 20 HD2 PHE 20 0.339 16.960 -5.702
133 HE1 PHE 20 HE1 PHE 20 -4.157 14.970 -5.805
134 HE2 PHE 20 HE2 PHE 20 -1.640 18.383 -5.375
135 HZ PHE 20 HZ PHE 20 -3.892 17.389 -5.425
136 H VAL 21 H VAL 21 -0.277 14.946 -9.724
137 HA VAL 21 HA VAL 21 1.403 17.358 -9.648
138 HB VAL 21 HB VAL 21 0.873 15.706 -12.122
139 HG11 VAL 21 1HG1 VAL 21 2.292 17.301 -13.276
140 HG12 VAL 21 2HG1 VAL 21 0.915 18.129 -12.544
141 HG13 VAL 21 3HG1 VAL 21 2.506 18.219 -11.785
142 HG21 VAL 21 3HG2 VAL 21 3.361 16.120 -10.476
143 HG22 VAL 21 1HG2 VAL 21 2.523 14.602 -10.805
144 HG23 VAL 21 2HG2 VAL 21 3.368 15.444 -12.104
145 H ASP 22 H ASP 22 0.508 19.204 -10.628
146 HA ASP 22 HA ASP 22 -1.201 20.669 -10.995
147 HB2 ASP 22 1HB ASP 22 -2.352 18.406 -12.636
148 HB3 ASP 22 2HB ASP 22 -2.671 20.126 -12.834
149 H GLY 23 H GLY 23 -1.483 19.461 -8.571
150 HA2 GLY 23 1HA GLY 23 -3.005 18.983 -6.919
151 HA3 GLY 23 2HA GLY 23 -4.123 19.937 -7.883
152 H LYS 24 H LYS 24 -2.619 16.912 -8.877
153 HA LYS 24 HA LYS 24 -4.855 15.272 -8.225
154 HB2 LYS 24 1HB LYS 24 -5.650 14.820 -10.488
155 HB3 LYS 24 2HB LYS 24 -5.849 16.521 -10.092
156 HG2 LYS 24 1HG LYS 24 -3.879 17.082 -11.390
157 HG3 LYS 24 2HG LYS 24 -3.605 15.375 -11.740
158 HD2 LYS 24 1HD LYS 24 -4.680 16.135 -13.655
159 HD3 LYS 24 2HD LYS 24 -5.998 15.429 -12.715
160 HE2 LYS 24 1HE LYS 24 -6.222 17.862 -11.775
161 HE3 LYS 24 2HE LYS 24 -5.367 18.297 -13.254
162 HZ1 LYS 24 3HZ LYS 24 -7.306 18.204 -14.291
163 HZ2 LYS 24 1HZ LYS 24 -8.089 17.615 -12.913
164 HZ3 LYS 24 2HZ LYS 24 -7.366 16.539 -13.998
165 H PHE 25 H PHE 25 -4.488 13.073 -8.664
166 HA PHE 25 HA PHE 25 -1.716 12.373 -8.895
167 HB2 PHE 25 1HB PHE 25 -4.255 10.888 -8.371
168 HB3 PHE 25 2HB PHE 25 -2.832 9.979 -8.869
169 HD1 PHE 25 HD1 PHE 25 -0.748 10.132 -7.485
170 HD2 PHE 25 HD2 PHE 25 -4.493 11.673 -6.172
171 HE1 PHE 25 HE1 PHE 25 0.075 10.149 -5.165
172 HE2 PHE 25 HE2 PHE 25 -3.675 11.695 -3.852
173 HZ PHE 25 HZ PHE 25 -1.389 10.932 -3.346
174 H LEU 26 H LEU 26 -1.197 10.367 -10.319
175 HA LEU 26 HA LEU 26 -2.216 10.916 -13.028
176 HB2 LEU 26 1HB LEU 26 0.501 10.065 -12.070
177 HB3 LEU 26 2HB LEU 26 0.006 9.918 -13.754
178 HG LEU 26 HG LEU 26 -0.488 12.475 -13.533
179 HD11 LEU 26 1HD1 LEU 26 0.147 13.497 -11.674
180 HD12 LEU 26 2HD1 LEU 26 1.776 12.835 -11.822
181 HD13 LEU 26 3HD1 LEU 26 0.529 11.924 -10.971
182 HD21 LEU 26 3HD2 LEU 26 1.380 12.777 -14.753
183 HD22 LEU 26 1HD2 LEU 26 1.490 11.019 -14.659
184 HD23 LEU 26 2HD2 LEU 26 2.420 12.020 -13.544
185 H CYS 27 H CYS 27 -1.713 8.541 -10.589
186 HA CYS 27 HA CYS 27 -1.901 6.245 -12.286
187 HB2 CYS 27 1HB CYS 27 -2.408 5.098 -10.029
188 HB3 CYS 27 2HB CYS 27 -0.820 5.826 -10.251
189 H CYS 28 H CYS 28 -4.158 7.739 -9.964
190 HA CYS 28 HA CYS 28 -6.368 6.498 -11.471
191 HB2 CYS 28 1HB CYS 28 -7.651 6.664 -9.296
192 HB3 CYS 28 2HB CYS 28 -6.330 5.501 -9.306
193 H GLN 29 H GLN 29 -5.007 9.141 -11.793
194 HA GLN 29 HA GLN 29 -5.495 11.401 -11.851
195 HB2 GLN 29 1HB GLN 29 -7.747 9.929 -13.173
196 HB3 GLN 29 2HB GLN 29 -7.768 11.686 -13.098
197 HG2 GLN 29 1HG GLN 29 -6.851 10.970 -15.201
198 HG3 GLN 29 2HG GLN 29 -5.594 11.743 -14.236
199 HE21 GLN 29 1HE2 GLN 29 -3.867 10.754 -15.165
200 HE22 GLN 29 2HE2 GLN 29 -3.554 9.059 -15.050
201 H GLN 30 H GLN 30 -6.023 10.470 -9.281
202 HA GLN 30 HA GLN 30 -8.640 11.496 -8.525
203 HB2 GLN 30 1HB GLN 30 -6.477 9.976 -7.126
204 HB3 GLN 30 2HB GLN 30 -7.647 10.874 -6.169
205 HG2 GLN 30 1HG GLN 30 -9.464 9.616 -7.123
206 HG3 GLN 30 2HG GLN 30 -8.357 8.786 -8.215
207 HE21 GLN 30 1HE2 GLN 30 -9.991 7.330 -6.622
208 HE22 GLN 30 2HE2 GLN 30 -9.078 6.550 -5.379
209 H SER 31 H SER 31 -8.995 13.475 -7.756
210 HA SER 31 HA SER 31 -6.706 15.247 -7.381
211 HB2 SER 31 1HB SER 31 -9.652 15.701 -7.802
212 HB3 SER 31 2HB SER 31 -8.607 17.000 -7.225
213 HG SER 31 HG SER 31 -7.937 17.244 -9.191
214 H CYS 32 H CYS 32 -6.625 13.596 -5.350
215 HA CYS 32 HA CYS 32 -7.469 15.244 -3.092
216 HB2 CYS 32 1HB CYS 32 -9.079 13.218 -3.666
217 HB3 CYS 32 2HB CYS 32 -7.845 12.295 -2.815
218 H LYS 33 H LYS 33 -5.533 15.755 -2.283
219 HA LYS 33 HA LYS 33 -3.131 14.521 -2.507
220 HB2 LYS 33 1HB LYS 33 -3.604 16.716 -1.370
221 HB3 LYS 33 2HB LYS 33 -4.073 15.806 0.060
222 HG2 LYS 33 1HG LYS 33 -1.820 14.841 0.171
223 HG3 LYS 33 2HG LYS 33 -1.356 15.794 -1.240
224 HD2 LYS 33 1HD LYS 33 -2.236 17.792 0.228
225 HD3 LYS 33 2HD LYS 33 -1.910 16.675 1.555
226 HE2 LYS 33 1HE LYS 33 0.397 16.377 0.548
227 HE3 LYS 33 2HE LYS 33 0.019 17.754 -0.486
228 HZ1 LYS 33 3HZ LYS 33 1.036 17.829 2.076
229 HZ2 LYS 33 1HZ LYS 33 -0.569 18.346 2.223
230 HZ3 LYS 33 2HZ LYS 33 0.481 19.141 1.162
231 H ALA 34 H ALA 34 -5.725 13.652 -0.306
232 HA ALA 34 HA ALA 34 -4.121 11.352 0.604
233 HB1 ALA 34 3HB ALA 34 -6.386 12.764 2.006
234 HB2 ALA 34 1HB ALA 34 -5.584 11.307 2.592
235 HB3 ALA 34 2HB ALA 34 -4.678 12.813 2.444
236 H ALA 35 H ALA 35 -5.427 11.232 -1.852
237 HA ALA 35 HA ALA 35 -8.020 10.141 -1.751
238 HB1 ALA 35 3HB ALA 35 -6.047 9.352 -3.856
239 HB2 ALA 35 1HB ALA 35 -7.775 9.669 -4.006
240 HB3 ALA 35 2HB ALA 35 -6.650 11.007 -3.770
241 HA PRO 36 HA PRO 36 -7.432 6.048 -0.271
242 HB2 PRO 36 1HB PRO 36 -9.404 4.747 -1.611
243 HB3 PRO 36 2HB PRO 36 -9.722 5.858 -0.273
244 HG2 PRO 36 1HG PRO 36 -9.891 6.345 -3.222
245 HG3 PRO 36 2HG PRO 36 -11.007 6.850 -1.939
246 HD2 PRO 36 1HD PRO 36 -9.180 8.528 -3.025
247 HD3 PRO 36 2HD PRO 36 -9.694 8.644 -1.330
248 H GLY 37 H GLY 37 -5.845 4.687 -0.794
249 HA2 GLY 37 1HA GLY 37 -4.436 4.409 -3.048
250 HA3 GLY 37 2HA GLY 37 -4.762 3.027 -2.013
251 H CYS 38 H CYS 38 -5.125 4.317 -5.089
252 HA CYS 38 HA CYS 38 -7.548 3.206 -5.951
253 HB2 CYS 38 1HB CYS 38 -6.446 3.271 -8.242
254 HB3 CYS 38 2HB CYS 38 -6.507 4.798 -7.368
255 H THR 39 H THR 39 -4.358 1.812 -5.565
256 HA THR 39 HA THR 39 -4.529 -0.489 -7.059
257 HB THR 39 HB THR 39 -3.048 -1.555 -5.351
258 HG1 THR 39 HG1 THR 39 -2.373 0.215 -3.725
259 HG21 THR 39 3HG2 THR 39 -2.057 1.233 -5.782
260 HG22 THR 39 1HG2 THR 39 -2.358 0.190 -7.171
261 HG23 THR 39 2HG2 THR 39 -1.196 -0.298 -5.936
262 H LEU 40 H LEU 40 -6.094 0.256 -4.018
263 HA LEU 40 HA LEU 40 -6.821 -2.067 -2.914
264 HB2 LEU 40 1HB LEU 40 -8.834 -1.080 -2.164
265 HB3 LEU 40 2HB LEU 40 -7.646 0.214 -2.298
266 HG LEU 40 HG LEU 40 -8.800 0.503 -4.677
267 HD11 LEU 40 1HD1 LEU 40 -11.169 -0.306 -3.041
268 HD12 LEU 40 2HD1 LEU 40 -10.314 -1.491 -4.028
269 HD13 LEU 40 3HD1 LEU 40 -11.038 -0.072 -4.785
270 HD21 LEU 40 3HD2 LEU 40 -9.384 2.462 -3.795
271 HD22 LEU 40 1HD2 LEU 40 -8.819 1.837 -2.245
272 HD23 LEU 40 2HD2 LEU 40 -10.523 1.701 -2.682
273 H TRP 41 H TRP 41 -8.406 -3.665 -3.177
274 HA TRP 41 HA TRP 41 -9.148 -4.126 -5.968
275 HB2 TRP 41 1HB TRP 41 -9.418 -6.427 -5.390
276 HB3 TRP 41 2HB TRP 41 -7.931 -5.881 -4.619
277 HD1 TRP 41 HD1 TRP 41 -11.637 -6.522 -3.681
278 HE1 TRP 41 HE1 TRP 41 -11.716 -7.251 -1.213
279 HE3 TRP 41 HE3 TRP 41 -6.688 -5.986 -2.520
280 HZ2 TRP 41 HZ2 TRP 41 -9.916 -7.557 0.941
281 HZ3 TRP 41 HZ3 TRP 41 -5.949 -6.516 -0.234
282 HH2 TRP 41 HH2 TRP 41 -7.530 -7.285 1.459
283 H GLU 42 H GLU 42 -11.303 -5.206 -6.336
284 HA GLU 42 HA GLU 42 -13.378 -4.355 -4.463
285 HB2 GLU 42 1HB GLU 42 -13.340 -3.577 -7.385
286 HB3 GLU 42 2HB GLU 42 -14.703 -3.346 -6.299
287 HG2 GLU 42 1HG GLU 42 -13.232 -1.914 -4.882
288 HG3 GLU 42 2HG GLU 42 -12.002 -2.034 -6.139
289 H ALA 43 H ALA 43 -14.923 -5.844 -4.248
290 HA ALA 43 HA ALA 43 -14.881 -8.148 -6.047
291 HB1 ALA 43 3HB ALA 43 -14.887 -8.136 -3.396
292 HB2 ALA 43 1HB ALA 43 -16.632 -8.091 -3.652
293 HB3 ALA 43 2HB ALA 43 -15.675 -9.410 -4.327
294 H TYR 44 H TYR 44 -16.632 -8.839 -7.218
295 HA TYR 44 HA TYR 44 -18.720 -6.848 -7.650
296 HB2 TYR 44 1HB TYR 44 -19.246 -8.128 -9.673
297 HB3 TYR 44 2HB TYR 44 -17.534 -7.725 -9.612
298 HD1 TYR 44 HD2 TYR 44 -15.890 -9.508 -8.930
299 HD2 TYR 44 HD1 TYR 44 -19.966 -10.373 -9.789
300 HE1 TYR 44 HE2 TYR 44 -15.318 -11.881 -9.227
301 HE2 TYR 44 HE1 TYR 44 -19.406 -12.750 -10.087
302 HH TYR 44 HH TYR 44 -16.071 -13.871 -10.026
303 H SER 45 H SER 45 -20.917 -7.290 -7.510
304 HA SER 45 HA SER 45 -21.596 -9.697 -5.953
305 HB2 SER 45 1HB SER 45 -22.799 -6.927 -5.947
306 HB3 SER 45 2HB SER 45 -23.603 -8.314 -5.211
307 HG SER 45 HG SER 45 -22.144 -8.355 -3.650
308 H GLY 46 H GLY 46 -22.362 -11.172 -7.344
309 HA2 GLY 46 1HA GLY 46 -24.729 -11.511 -8.347
310 HA3 GLY 46 2HA GLY 46 -24.175 -10.288 -9.483
311 HA PRO 47 HA PRO 47 -22.816 -14.749 -10.600
312 HB2 PRO 47 1HB PRO 47 -24.801 -15.422 -12.326
313 HB3 PRO 47 2HB PRO 47 -24.863 -15.794 -10.598
314 HG2 PRO 47 1HG PRO 47 -26.157 -13.552 -12.100
315 HG3 PRO 47 2HG PRO 47 -26.832 -14.578 -10.821
316 HD2 PRO 47 1HD PRO 47 -25.912 -12.075 -10.348
317 HD3 PRO 47 2HD PRO 47 -25.809 -13.374 -9.142
318 H SER 48 H SER 48 -21.594 -15.075 -12.403
319 HA SER 48 HA SER 48 -21.618 -12.932 -14.401
320 HB2 SER 48 1HB SER 48 -19.511 -13.667 -13.074
321 HB3 SER 48 2HB SER 48 -19.484 -15.040 -14.181
322 HG SER 48 HG SER 48 -18.834 -13.773 -15.734
323 H SER 49 H SER 49 -23.680 -14.773 -14.629
324 HA SER 49 HA SER 49 -23.163 -16.955 -16.315
325 HB2 SER 49 1HB SER 49 -25.674 -15.285 -16.044
326 HB3 SER 49 2HB SER 49 -25.584 -16.847 -16.860
327 HG SER 49 HG SER 49 -25.557 -16.247 -14.153
328 H GLY 50 H GLY 50 -24.256 -13.656 -17.105
329 HA2 GLY 50 1HA GLY 50 -23.006 -12.679 -19.062
330 HA3 GLY 50 2HA GLY 50 -23.427 -14.168 -19.894
Start of MODEL 5
1 H1 GLY 1 H GLY 1 1.642 22.178 17.947
2 HA2 GLY 1 1HA GLY 1 0.530 20.006 17.855
3 HA3 GLY 1 2HA GLY 1 1.860 19.443 16.855
4 H SER 2 H SER 2 1.128 17.989 19.037
5 HA SER 2 HA SER 2 3.329 18.509 20.928
6 HB2 SER 2 1HB SER 2 0.497 17.685 21.411
7 HB3 SER 2 2HB SER 2 1.748 17.070 22.492
8 HG SER 2 HG SER 2 1.201 19.797 21.917
9 H SER 3 H SER 3 3.859 16.403 22.186
10 HA SER 3 HA SER 3 5.116 14.616 20.578
11 HB2 SER 3 1HB SER 3 3.910 14.229 23.315
12 HB3 SER 3 2HB SER 3 4.838 12.956 22.522
13 HG SER 3 HG SER 3 6.472 13.966 23.385
14 H GLY 4 H GLY 4 4.441 13.295 19.033
15 HA2 GLY 4 1HA GLY 4 1.683 12.275 19.154
16 HA3 GLY 4 2HA GLY 4 2.650 12.423 17.694
17 H SER 5 H SER 5 1.249 10.179 19.393
18 HA SER 5 HA SER 5 3.507 8.290 19.265
19 HB2 SER 5 1HB SER 5 2.779 8.372 21.523
20 HB3 SER 5 2HB SER 5 1.079 8.349 21.057
21 HG SER 5 HG SER 5 2.668 6.198 20.268
22 H SER 6 H SER 6 3.354 7.424 17.269
23 HA SER 6 HA SER 6 0.876 6.852 15.982
24 HB2 SER 6 1HB SER 6 2.326 5.662 14.314
25 HB3 SER 6 2HB SER 6 2.808 7.329 14.621
26 HG SER 6 HG SER 6 4.680 6.309 14.834
27 H GLY 7 H GLY 7 3.424 4.741 17.323
28 HA2 GLY 7 1HA GLY 7 2.878 2.865 18.723
29 HA3 GLY 7 2HA GLY 7 1.332 2.749 17.894
30 H ASN 8 H ASN 8 1.164 1.098 16.547
31 HA ASN 8 HA ASN 8 3.438 -0.456 15.797
32 HB2 ASN 8 1HB ASN 8 1.681 -1.685 14.380
33 HB3 ASN 8 2HB ASN 8 1.464 -1.695 16.128
34 HD21 ASN 8 1HD2 ASN 8 -0.739 -2.075 15.929
35 HD22 ASN 8 2HD2 ASN 8 -1.841 -0.845 15.423
36 HA PRO 9 HA PRO 9 4.550 1.528 12.028
37 HB2 PRO 9 1HB PRO 9 5.762 -0.557 10.781
38 HB3 PRO 9 2HB PRO 9 6.495 0.311 12.136
39 HG2 PRO 9 1HG PRO 9 5.020 -2.294 12.129
40 HG3 PRO 9 2HG PRO 9 6.511 -1.854 12.984
41 HD2 PRO 9 1HD PRO 9 4.094 -1.914 14.205
42 HD3 PRO 9 2HD PRO 9 5.372 -0.774 14.672
43 H HIS 10 H HIS 10 3.588 1.925 10.118
44 HA HIS 10 HA HIS 10 1.288 0.407 9.352
45 HB2 HIS 10 1HB HIS 10 2.668 2.849 8.309
46 HB3 HIS 10 2HB HIS 10 1.475 2.038 7.299
47 HD2 HIS 10 HD2 HIS 10 -0.368 1.441 10.221
48 HE1 HIS 10 HE1 HIS 10 -0.951 5.619 9.773
49 HE2 HIS 10 HE2 HIS 10 -1.711 3.527 10.953
50 H LEU 11 H LEU 11 1.342 -1.418 8.233
51 HA LEU 11 HA LEU 11 3.475 -1.777 6.231
52 HB2 LEU 11 1HB LEU 11 3.839 -3.289 8.055
53 HB3 LEU 11 2HB LEU 11 2.156 -3.812 8.018
54 HG LEU 11 HG LEU 11 2.837 -4.562 5.564
55 HD11 LEU 11 1HD1 LEU 11 5.388 -5.305 6.829
56 HD12 LEU 11 2HD1 LEU 11 5.241 -3.619 6.336
57 HD13 LEU 11 3HD1 LEU 11 5.021 -4.905 5.150
58 HD21 LEU 11 3HD2 LEU 11 3.865 -6.418 7.608
59 HD22 LEU 11 1HD2 LEU 11 2.635 -6.658 6.367
60 HD23 LEU 11 2HD2 LEU 11 2.224 -5.826 7.867
61 H LEU 12 H LEU 12 0.133 -2.603 7.091
62 HA LEU 12 HA LEU 12 -0.415 -3.298 4.303
63 HB2 LEU 12 1HB LEU 12 -1.288 -4.918 5.739
64 HB3 LEU 12 2HB LEU 12 -1.873 -3.715 6.887
65 HG LEU 12 HG LEU 12 -3.570 -3.048 5.141
66 HD11 LEU 12 1HD1 LEU 12 -2.267 -4.171 3.278
67 HD12 LEU 12 2HD1 LEU 12 -4.009 -4.448 3.303
68 HD13 LEU 12 3HD1 LEU 12 -2.909 -5.697 3.887
69 HD21 LEU 12 3HD2 LEU 12 -3.540 -5.181 6.990
70 HD22 LEU 12 1HD2 LEU 12 -4.402 -5.745 5.558
71 HD23 LEU 12 2HD2 LEU 12 -4.932 -4.280 6.385
72 H VAL 13 H VAL 13 -0.550 -1.366 3.236
73 HA VAL 13 HA VAL 13 -2.961 0.167 3.680
74 HB VAL 13 HB VAL 13 -1.352 1.293 5.173
75 HG11 VAL 13 1HG1 VAL 13 0.195 2.055 2.712
76 HG12 VAL 13 2HG1 VAL 13 0.628 2.313 4.403
77 HG13 VAL 13 3HG1 VAL 13 0.643 0.684 3.727
78 HG21 VAL 13 3HG2 VAL 13 -2.581 2.612 2.824
79 HG22 VAL 13 1HG2 VAL 13 -2.880 2.850 4.546
80 HG23 VAL 13 2HG2 VAL 13 -1.461 3.574 3.789
81 H LYS 14 H LYS 14 -3.813 0.672 1.772
82 HA LYS 14 HA LYS 14 -2.874 -0.087 -0.665
83 HB2 LYS 14 1HB LYS 14 -4.787 2.019 0.212
84 HB3 LYS 14 2HB LYS 14 -4.283 2.027 -1.472
85 HG2 LYS 14 1HG LYS 14 -5.301 0.019 -1.931
86 HG3 LYS 14 2HG LYS 14 -5.244 -0.515 -0.250
87 HD2 LYS 14 1HD LYS 14 -6.885 1.876 -0.939
88 HD3 LYS 14 2HD LYS 14 -7.502 0.275 -1.354
89 HE2 LYS 14 1HE LYS 14 -6.926 -0.317 1.097
90 HE3 LYS 14 2HE LYS 14 -6.889 1.428 1.343
91 HZ1 LYS 14 3HZ LYS 14 -9.201 1.127 0.036
92 HZ2 LYS 14 1HZ LYS 14 -9.066 1.148 1.722
93 HZ3 LYS 14 2HZ LYS 14 -9.147 -0.328 0.898
94 H TYR 15 H TYR 15 -1.708 0.820 -2.345
95 HA TYR 15 HA TYR 15 -0.123 3.203 -1.641
96 HB2 TYR 15 1HB TYR 15 1.746 2.273 -2.851
97 HB3 TYR 15 2HB TYR 15 1.182 1.075 -1.691
98 HD1 TYR 15 HD1 TYR 15 1.374 1.954 -5.254
99 HD2 TYR 15 HD2 TYR 15 0.200 -1.000 -2.425
100 HE1 TYR 15 HE1 TYR 15 1.161 0.309 -7.069
101 HE2 TYR 15 HE2 TYR 15 -0.015 -2.654 -4.233
102 HH TYR 15 HH TYR 15 0.311 -1.738 -7.609
103 H HIS 16 H HIS 16 0.899 4.175 -3.722
104 HA HIS 16 HA HIS 16 -1.202 4.326 -5.785
105 HB2 HIS 16 1HB HIS 16 0.401 6.459 -4.439
106 HB3 HIS 16 2HB HIS 16 -0.094 6.702 -6.112
107 HD2 HIS 16 HD2 HIS 16 -1.398 7.559 -2.768
108 HE1 HIS 16 HE1 HIS 16 -4.871 6.997 -5.140
109 HE2 HIS 16 HE2 HIS 16 -3.940 7.976 -3.014
110 H SER 17 H SER 17 -0.591 3.628 -7.712
111 HA SER 17 HA SER 17 2.202 3.137 -8.275
112 HB2 SER 17 1HB SER 17 0.105 1.685 -8.919
113 HB3 SER 17 2HB SER 17 0.038 2.762 -10.314
114 HG SER 17 HG SER 17 2.293 2.181 -10.654
115 H GLY 18 H GLY 18 1.774 5.845 -7.970
116 HA2 GLY 18 1HA GLY 18 2.840 6.852 -10.408
117 HA3 GLY 18 2HA GLY 18 1.166 7.348 -10.212
118 H PHE 19 H PHE 19 2.025 9.529 -10.188
119 HA PHE 19 HA PHE 19 2.917 10.283 -7.492
120 HB2 PHE 19 1HB PHE 19 4.012 11.279 -10.124
121 HB3 PHE 19 2HB PHE 19 4.267 12.123 -8.599
122 HD1 PHE 19 HD2 PHE 19 5.306 10.710 -6.681
123 HD2 PHE 19 HD1 PHE 19 5.516 9.671 -10.803
124 HE1 PHE 19 HE2 PHE 19 7.257 9.284 -6.217
125 HE2 PHE 19 HE1 PHE 19 7.467 8.243 -10.346
126 HZ PHE 19 HZ PHE 19 8.340 8.048 -8.052
127 H PHE 20 H PHE 20 2.606 12.700 -7.128
128 HA PHE 20 HA PHE 20 -0.037 13.433 -8.174
129 HB2 PHE 20 1HB PHE 20 0.129 13.218 -5.733
130 HB3 PHE 20 2HB PHE 20 1.418 14.417 -5.709
131 HD1 PHE 20 HD1 PHE 20 -2.173 13.864 -6.115
132 HD2 PHE 20 HD2 PHE 20 0.943 16.763 -6.010
133 HE1 PHE 20 HE1 PHE 20 -3.848 15.652 -5.886
134 HE2 PHE 20 HE2 PHE 20 -0.727 18.554 -5.781
135 HZ PHE 20 HZ PHE 20 -3.126 18.000 -5.718
136 H VAL 21 H VAL 21 0.230 14.631 -9.966
137 HA VAL 21 HA VAL 21 1.947 17.015 -9.750
138 HB VAL 21 HB VAL 21 1.512 15.360 -12.240
139 HG11 VAL 21 1HG1 VAL 21 1.945 17.302 -13.267
140 HG12 VAL 21 2HG1 VAL 21 2.520 18.066 -11.783
141 HG13 VAL 21 3HG1 VAL 21 3.606 17.048 -12.730
142 HG21 VAL 21 3HG2 VAL 21 3.954 15.703 -10.501
143 HG22 VAL 21 1HG2 VAL 21 2.996 14.235 -10.690
144 HG23 VAL 21 2HG2 VAL 21 3.921 14.866 -12.053
145 H ASP 22 H ASP 22 1.167 18.910 -10.645
146 HA ASP 22 HA ASP 22 -0.380 20.437 -11.312
147 HB2 ASP 22 1HB ASP 22 -1.135 18.019 -12.895
148 HB3 ASP 22 2HB ASP 22 -2.237 19.394 -12.884
149 H GLY 23 H GLY 23 -0.741 19.409 -8.789
150 HA2 GLY 23 1HA GLY 23 -2.289 19.212 -7.106
151 HA3 GLY 23 2HA GLY 23 -3.325 20.186 -8.140
152 H LYS 24 H LYS 24 -2.084 16.935 -8.770
153 HA LYS 24 HA LYS 24 -4.413 15.538 -8.013
154 HB2 LYS 24 1HB LYS 24 -5.209 16.906 -10.031
155 HB3 LYS 24 2HB LYS 24 -4.188 15.852 -11.000
156 HG2 LYS 24 1HG LYS 24 -5.516 14.009 -10.643
157 HG3 LYS 24 2HG LYS 24 -6.187 14.651 -9.143
158 HD2 LYS 24 1HD LYS 24 -7.970 14.909 -10.578
159 HD3 LYS 24 2HD LYS 24 -7.184 16.484 -10.723
160 HE2 LYS 24 1HE LYS 24 -6.389 14.287 -12.576
161 HE3 LYS 24 2HE LYS 24 -7.912 15.131 -12.855
162 HZ1 LYS 24 3HZ LYS 24 -5.193 16.310 -12.773
163 HZ2 LYS 24 1HZ LYS 24 -6.608 17.238 -12.786
164 HZ3 LYS 24 2HZ LYS 24 -6.243 16.234 -14.098
165 H PHE 25 H PHE 25 -4.378 13.270 -8.739
166 HA PHE 25 HA PHE 25 -1.668 12.298 -8.808
167 HB2 PHE 25 1HB PHE 25 -4.358 10.941 -8.680
168 HB3 PHE 25 2HB PHE 25 -2.856 10.033 -8.822
169 HD1 PHE 25 HD1 PHE 25 -1.119 10.280 -7.021
170 HD2 PHE 25 HD2 PHE 25 -5.090 11.755 -6.611
171 HE1 PHE 25 HE1 PHE 25 -0.828 10.374 -4.579
172 HE2 PHE 25 HE2 PHE 25 -4.806 11.851 -4.169
173 HZ PHE 25 HZ PHE 25 -2.672 11.161 -3.150
174 H LEU 26 H LEU 26 -1.249 10.333 -10.305
175 HA LEU 26 HA LEU 26 -2.191 10.988 -13.020
176 HB2 LEU 26 1HB LEU 26 0.552 9.951 -12.345
177 HB3 LEU 26 2HB LEU 26 -0.023 10.544 -13.901
178 HG LEU 26 HG LEU 26 0.390 12.232 -11.433
179 HD11 LEU 26 1HD1 LEU 26 2.042 11.960 -13.939
180 HD12 LEU 26 2HD1 LEU 26 2.507 11.457 -12.315
181 HD13 LEU 26 3HD1 LEU 26 2.289 13.168 -12.680
182 HD21 LEU 26 3HD2 LEU 26 0.106 14.106 -13.037
183 HD22 LEU 26 1HD2 LEU 26 -1.356 13.146 -12.807
184 HD23 LEU 26 2HD2 LEU 26 -0.382 12.934 -14.262
185 H CYS 27 H CYS 27 -1.592 8.591 -10.635
186 HA CYS 27 HA CYS 27 -1.744 6.360 -12.473
187 HB2 CYS 27 1HB CYS 27 -1.776 5.013 -10.325
188 HB3 CYS 27 2HB CYS 27 -0.343 6.003 -10.585
189 H CYS 28 H CYS 28 -3.837 8.050 -10.214
190 HA CYS 28 HA CYS 28 -6.092 6.422 -11.188
191 HB2 CYS 28 1HB CYS 28 -7.129 7.055 -8.892
192 HB3 CYS 28 2HB CYS 28 -5.943 5.755 -8.959
193 H GLN 29 H GLN 29 -4.776 9.539 -10.587
194 HA GLN 29 HA GLN 29 -5.478 11.640 -11.107
195 HB2 GLN 29 1HB GLN 29 -7.636 10.217 -12.675
196 HB3 GLN 29 2HB GLN 29 -7.172 11.904 -12.849
197 HG2 GLN 29 1HG GLN 29 -5.141 9.754 -13.239
198 HG3 GLN 29 2HG GLN 29 -6.288 10.134 -14.522
199 HE21 GLN 29 1HE2 GLN 29 -3.542 10.440 -14.805
200 HE22 GLN 29 2HE2 GLN 29 -3.181 12.121 -14.964
201 H GLN 30 H GLN 30 -6.335 10.552 -8.675
202 HA GLN 30 HA GLN 30 -9.129 11.053 -8.285
203 HB2 GLN 30 1HB GLN 30 -6.920 10.753 -6.243
204 HB3 GLN 30 2HB GLN 30 -8.645 10.703 -5.908
205 HG2 GLN 30 1HG GLN 30 -7.520 8.789 -7.884
206 HG3 GLN 30 2HG GLN 30 -7.242 8.506 -6.167
207 HE21 GLN 30 1HE2 GLN 30 -8.517 6.755 -5.893
208 HE22 GLN 30 2HE2 GLN 30 -10.230 6.759 -6.104
209 H SER 31 H SER 31 -10.116 12.798 -7.318
210 HA SER 31 HA SER 31 -8.891 15.329 -7.702
211 HB2 SER 31 1HB SER 31 -10.958 16.245 -6.727
212 HB3 SER 31 2HB SER 31 -11.315 15.008 -7.930
213 HG SER 31 HG SER 31 -11.399 13.541 -6.031
214 H CYS 32 H CYS 32 -9.906 13.611 -4.749
215 HA CYS 32 HA CYS 32 -8.930 15.481 -2.915
216 HB2 CYS 32 1HB CYS 32 -9.333 12.497 -2.668
217 HB3 CYS 32 2HB CYS 32 -8.912 13.535 -1.309
218 H LYS 33 H LYS 33 -7.050 15.441 -1.583
219 HA LYS 33 HA LYS 33 -4.681 14.597 -3.042
220 HB2 LYS 33 1HB LYS 33 -4.960 16.888 -1.973
221 HB3 LYS 33 2HB LYS 33 -4.777 16.086 -0.419
222 HG2 LYS 33 1HG LYS 33 -2.554 15.501 -0.852
223 HG3 LYS 33 2HG LYS 33 -2.720 15.807 -2.583
224 HD2 LYS 33 1HD LYS 33 -3.172 18.055 -0.679
225 HD3 LYS 33 2HD LYS 33 -1.516 17.536 -1.000
226 HE2 LYS 33 1HE LYS 33 -2.281 17.682 -3.500
227 HE3 LYS 33 2HE LYS 33 -3.524 18.748 -2.847
228 HZ1 LYS 33 3HZ LYS 33 -2.025 20.347 -2.353
229 HZ2 LYS 33 1HZ LYS 33 -1.162 19.624 -3.616
230 HZ3 LYS 33 2HZ LYS 33 -0.778 19.256 -2.011
231 H ALA 34 H ALA 34 -5.822 14.331 0.331
232 HA ALA 34 HA ALA 34 -3.977 12.178 0.865
233 HB1 ALA 34 3HB ALA 34 -5.139 12.161 3.106
234 HB2 ALA 34 1HB ALA 34 -4.341 13.669 2.663
235 HB3 ALA 34 2HB ALA 34 -6.093 13.525 2.524
236 H ALA 35 H ALA 35 -5.675 11.497 -1.228
237 HA ALA 35 HA ALA 35 -7.861 9.897 -0.266
238 HB1 ALA 35 3HB ALA 35 -6.635 9.731 -3.005
239 HB2 ALA 35 1HB ALA 35 -8.293 9.376 -2.518
240 HB3 ALA 35 2HB ALA 35 -7.714 11.042 -2.531
241 HA PRO 36 HA PRO 36 -5.772 6.120 0.546
242 HB2 PRO 36 1HB PRO 36 -7.695 4.325 -0.127
243 HB3 PRO 36 2HB PRO 36 -7.781 5.326 1.328
244 HG2 PRO 36 1HG PRO 36 -9.117 5.718 -1.322
245 HG3 PRO 36 2HG PRO 36 -9.785 5.920 0.308
246 HD2 PRO 36 1HD PRO 36 -8.961 8.013 -1.200
247 HD3 PRO 36 2HD PRO 36 -8.840 8.006 0.572
248 H GLY 37 H GLY 37 -4.254 5.059 -0.562
249 HA2 GLY 37 1HA GLY 37 -3.626 5.188 -3.158
250 HA3 GLY 37 2HA GLY 37 -3.339 3.722 -2.231
251 H CYS 38 H CYS 38 -4.459 4.666 -5.064
252 HA CYS 38 HA CYS 38 -6.990 3.476 -5.335
253 HB2 CYS 38 1HB CYS 38 -6.413 3.392 -7.783
254 HB3 CYS 38 2HB CYS 38 -6.229 4.976 -7.037
255 H THR 39 H THR 39 -3.731 2.187 -5.889
256 HA THR 39 HA THR 39 -4.630 -0.390 -6.708
257 HB THR 39 HB THR 39 -2.283 -1.089 -6.439
258 HG1 THR 39 HG1 THR 39 -1.711 1.564 -5.607
259 HG21 THR 39 3HG2 THR 39 -1.815 1.506 -7.689
260 HG22 THR 39 1HG2 THR 39 -3.289 0.721 -8.254
261 HG23 THR 39 2HG2 THR 39 -1.741 -0.114 -8.384
262 H LEU 40 H LEU 40 -5.435 -1.947 -5.475
263 HA LEU 40 HA LEU 40 -4.823 -1.922 -2.594
264 HB2 LEU 40 1HB LEU 40 -7.217 -1.607 -3.385
265 HB3 LEU 40 2HB LEU 40 -7.160 -3.292 -3.897
266 HG LEU 40 HG LEU 40 -6.543 -2.557 -1.061
267 HD11 LEU 40 1HD1 LEU 40 -9.163 -2.437 -2.420
268 HD12 LEU 40 2HD1 LEU 40 -8.585 -1.590 -0.985
269 HD13 LEU 40 3HD1 LEU 40 -9.112 -3.269 -0.865
270 HD21 LEU 40 3HD2 LEU 40 -8.074 -4.934 -1.461
271 HD22 LEU 40 1HD2 LEU 40 -6.439 -4.759 -0.823
272 HD23 LEU 40 2HD2 LEU 40 -6.693 -4.940 -2.559
273 H TRP 41 H TRP 41 -4.473 -3.926 -1.528
274 HA TRP 41 HA TRP 41 -2.646 -5.622 -2.497
275 HB2 TRP 41 1HB TRP 41 -3.959 -5.576 -0.196
276 HB3 TRP 41 2HB TRP 41 -4.840 -6.912 -0.934
277 HD1 TRP 41 HD1 TRP 41 -1.898 -6.281 1.136
278 HE1 TRP 41 HE1 TRP 41 -0.332 -8.324 1.175
279 HE3 TRP 41 HE3 TRP 41 -3.871 -8.892 -2.791
280 HZ2 TRP 41 HZ2 TRP 41 0.020 -10.724 -0.268
281 HZ3 TRP 41 HZ3 TRP 41 -2.861 -11.053 -3.398
282 HH2 TRP 41 HH2 TRP 41 -0.956 -11.947 -2.161
283 H GLU 42 H GLU 42 -6.038 -6.719 -2.417
284 HA GLU 42 HA GLU 42 -5.966 -8.913 -3.935
285 HB2 GLU 42 1HB GLU 42 -8.009 -6.707 -4.262
286 HB3 GLU 42 2HB GLU 42 -8.224 -8.376 -4.775
287 HG2 GLU 42 1HG GLU 42 -7.904 -7.381 -1.954
288 HG3 GLU 42 2HG GLU 42 -9.369 -8.021 -2.697
289 H ALA 43 H ALA 43 -5.458 -9.522 -5.945
290 HA ALA 43 HA ALA 43 -4.367 -7.576 -7.766
291 HB1 ALA 43 3HB ALA 43 -4.296 -9.856 -9.185
292 HB2 ALA 43 1HB ALA 43 -3.089 -9.426 -7.973
293 HB3 ALA 43 2HB ALA 43 -4.410 -10.518 -7.555
294 H TYR 44 H TYR 44 -4.945 -8.203 -10.234
295 HA TYR 44 HA TYR 44 -7.804 -8.538 -10.608
296 HB2 TYR 44 1HB TYR 44 -7.151 -6.031 -10.165
297 HB3 TYR 44 2HB TYR 44 -6.599 -6.086 -11.835
298 HD1 TYR 44 HD1 TYR 44 -9.595 -6.959 -9.778
299 HD2 TYR 44 HD2 TYR 44 -8.104 -5.557 -13.509
300 HE1 TYR 44 HE1 TYR 44 -11.899 -6.566 -10.544
301 HE2 TYR 44 HE2 TYR 44 -10.404 -5.160 -14.285
302 HH TYR 44 HH TYR 44 -12.601 -5.637 -13.853
303 H SER 45 H SER 45 -8.363 -8.458 -12.987
304 HA SER 45 HA SER 45 -6.777 -10.277 -14.398
305 HB2 SER 45 1HB SER 45 -8.995 -8.425 -15.252
306 HB3 SER 45 2HB SER 45 -8.195 -9.501 -16.398
307 HG SER 45 HG SER 45 -9.969 -10.079 -14.359
308 H GLY 46 H GLY 46 -7.235 -6.788 -15.006
309 HA2 GLY 46 1HA GLY 46 -4.630 -6.064 -15.407
310 HA3 GLY 46 2HA GLY 46 -5.130 -6.720 -16.958
311 HA PRO 47 HA PRO 47 -7.737 -2.720 -16.005
312 HB2 PRO 47 1HB PRO 47 -6.539 -1.002 -14.278
313 HB3 PRO 47 2HB PRO 47 -7.687 -2.242 -13.758
314 HG2 PRO 47 1HG PRO 47 -4.695 -2.280 -13.683
315 HG3 PRO 47 2HG PRO 47 -5.853 -2.815 -12.451
316 HD2 PRO 47 1HD PRO 47 -4.591 -4.542 -14.112
317 HD3 PRO 47 2HD PRO 47 -6.235 -4.830 -13.502
318 H SER 48 H SER 48 -7.469 -1.530 -17.776
319 HA SER 48 HA SER 48 -5.257 -1.119 -19.260
320 HB2 SER 48 1HB SER 48 -7.324 -0.397 -20.166
321 HB3 SER 48 2HB SER 48 -7.612 0.715 -18.829
322 HG SER 48 HG SER 48 -6.884 1.758 -20.764
323 H SER 49 H SER 49 -3.426 0.034 -19.191
324 HA SER 49 HA SER 49 -3.077 1.892 -16.933
325 HB2 SER 49 1HB SER 49 -1.631 -0.236 -17.137
326 HB3 SER 49 2HB SER 49 -0.819 0.606 -18.456
327 HG SER 49 HG SER 49 -0.544 0.936 -15.788
328 H GLY 50 H GLY 50 -1.710 3.769 -17.283
329 HA2 GLY 50 1HA GLY 50 -1.367 4.588 -20.073
330 HA3 GLY 50 2HA GLY 50 -2.405 5.578 -19.057
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -2.789 5.234 24.669
2 HA2 GLY 1 1HA GLY 1 -3.464 2.976 24.877
3 HA3 GLY 1 2HA GLY 1 -3.557 2.868 23.125
4 H SER 2 H SER 2 -2.230 1.093 25.043
5 HA SER 2 HA SER 2 0.603 1.502 24.476
6 HB2 SER 2 1HB SER 2 -0.860 -0.490 26.215
7 HB3 SER 2 2HB SER 2 0.883 -0.532 25.951
8 HG SER 2 HG SER 2 -0.261 1.883 26.761
9 H SER 3 H SER 3 1.273 0.825 22.548
10 HA SER 3 HA SER 3 0.554 -1.888 21.701
11 HB2 SER 3 1HB SER 3 0.309 -1.095 19.356
12 HB3 SER 3 2HB SER 3 -0.920 -0.428 20.431
13 HG SER 3 HG SER 3 0.990 0.851 18.982
14 H GLY 4 H GLY 4 2.134 -2.974 20.529
15 HA2 GLY 4 1HA GLY 4 4.724 -1.567 20.315
16 HA3 GLY 4 2HA GLY 4 4.594 -3.221 20.895
17 H SER 5 H SER 5 4.122 -1.145 18.078
18 HA SER 5 HA SER 5 4.644 -3.491 16.379
19 HB2 SER 5 1HB SER 5 3.055 -2.720 14.746
20 HB3 SER 5 2HB SER 5 2.237 -2.764 16.307
21 HG SER 5 HG SER 5 2.929 -0.435 16.393
22 H SER 6 H SER 6 5.848 -3.126 14.499
23 HA SER 6 HA SER 6 6.811 -0.479 13.871
24 HB2 SER 6 1HB SER 6 9.226 -1.158 14.135
25 HB3 SER 6 2HB SER 6 8.350 -0.950 15.652
26 HG SER 6 HG SER 6 8.966 -2.907 16.069
27 H GLY 7 H GLY 7 7.676 -0.329 11.814
28 HA2 GLY 7 1HA GLY 7 8.411 -1.069 9.732
29 HA3 GLY 7 2HA GLY 7 8.288 -2.726 10.305
30 H ASN 8 H ASN 8 6.612 -0.069 8.806
31 HA ASN 8 HA ASN 8 4.299 -1.819 8.311
32 HB2 ASN 8 1HB ASN 8 4.551 1.190 8.341
33 HB3 ASN 8 2HB ASN 8 3.137 0.358 7.700
34 HD21 ASN 8 1HD2 ASN 8 1.663 0.987 9.176
35 HD22 ASN 8 2HD2 ASN 8 1.736 0.583 10.855
36 HA PRO 9 HA PRO 9 6.504 -1.603 4.263
37 HB2 PRO 9 1HB PRO 9 5.964 -4.177 3.589
38 HB3 PRO 9 2HB PRO 9 7.351 -3.715 4.583
39 HG2 PRO 9 1HG PRO 9 4.691 -4.796 5.428
40 HG3 PRO 9 2HG PRO 9 6.309 -5.221 6.015
41 HD2 PRO 9 1HD PRO 9 4.663 -3.548 7.365
42 HD3 PRO 9 2HD PRO 9 6.430 -3.379 7.396
43 H HIS 10 H HIS 10 3.377 -1.747 5.326
44 HA HIS 10 HA HIS 10 1.308 -1.727 4.342
45 HB2 HIS 10 1HB HIS 10 1.113 -0.159 2.487
46 HB3 HIS 10 2HB HIS 10 2.237 0.467 3.690
47 HD2 HIS 10 HD2 HIS 10 2.255 -0.834 0.012
48 HE1 HIS 10 HE1 HIS 10 6.088 0.753 0.903
49 HE2 HIS 10 HE2 HIS 10 4.553 -0.085 -0.909
50 H LEU 11 H LEU 11 2.594 -4.145 3.880
51 HA LEU 11 HA LEU 11 2.759 -4.966 1.219
52 HB2 LEU 11 1HB LEU 11 2.707 -7.187 2.023
53 HB3 LEU 11 2HB LEU 11 3.533 -6.222 3.245
54 HG LEU 11 HG LEU 11 0.617 -6.742 3.573
55 HD11 LEU 11 1HD1 LEU 11 0.795 -8.916 4.152
56 HD12 LEU 11 2HD1 LEU 11 2.452 -8.744 4.730
57 HD13 LEU 11 3HD1 LEU 11 2.131 -8.877 3.002
58 HD21 LEU 11 3HD2 LEU 11 2.213 -7.091 5.903
59 HD22 LEU 11 1HD2 LEU 11 1.038 -5.825 5.547
60 HD23 LEU 11 2HD2 LEU 11 2.727 -5.614 5.086
61 H LEU 12 H LEU 12 0.005 -4.449 3.272
62 HA LEU 12 HA LEU 12 -1.769 -5.578 1.214
63 HB2 LEU 12 1HB LEU 12 -2.263 -6.597 3.259
64 HB3 LEU 12 2HB LEU 12 -2.099 -5.088 4.153
65 HG LEU 12 HG LEU 12 -4.200 -4.290 3.108
66 HD11 LEU 12 1HD1 LEU 12 -4.892 -7.038 2.258
67 HD12 LEU 12 2HD1 LEU 12 -3.819 -6.117 1.204
68 HD13 LEU 12 3HD1 LEU 12 -5.412 -5.482 1.612
69 HD21 LEU 12 3HD2 LEU 12 -4.084 -5.474 5.326
70 HD22 LEU 12 1HD2 LEU 12 -4.585 -6.940 4.484
71 HD23 LEU 12 2HD2 LEU 12 -5.650 -5.535 4.515
72 H VAL 13 H VAL 13 -1.690 -2.849 3.515
73 HA VAL 13 HA VAL 13 -3.658 -1.247 2.710
74 HB VAL 13 HB VAL 13 -0.818 -0.299 3.118
75 HG11 VAL 13 1HG1 VAL 13 -1.515 1.827 3.018
76 HG12 VAL 13 2HG1 VAL 13 -2.906 1.179 2.147
77 HG13 VAL 13 3HG1 VAL 13 -3.011 1.474 3.883
78 HG21 VAL 13 3HG2 VAL 13 -1.666 -1.612 4.992
79 HG22 VAL 13 1HG2 VAL 13 -1.514 0.089 5.431
80 HG23 VAL 13 2HG2 VAL 13 -3.101 -0.589 5.070
81 H LYS 14 H LYS 14 -4.377 -0.317 0.909
82 HA LYS 14 HA LYS 14 -3.163 -0.751 -1.594
83 HB2 LYS 14 1HB LYS 14 -5.322 1.207 -0.793
84 HB3 LYS 14 2HB LYS 14 -4.886 0.826 -2.454
85 HG2 LYS 14 1HG LYS 14 -5.860 -1.235 -2.387
86 HG3 LYS 14 2HG LYS 14 -5.620 -1.415 -0.647
87 HD2 LYS 14 1HD LYS 14 -7.873 -1.050 -0.675
88 HD3 LYS 14 2HD LYS 14 -7.314 0.622 -0.576
89 HE2 LYS 14 1HE LYS 14 -7.640 0.956 -2.903
90 HE3 LYS 14 2HE LYS 14 -7.880 -0.767 -3.185
91 HZ1 LYS 14 3HZ LYS 14 -9.711 0.503 -1.315
92 HZ2 LYS 14 1HZ LYS 14 -10.008 -0.676 -2.492
93 HZ3 LYS 14 2HZ LYS 14 -9.878 0.950 -2.939
94 H TYR 15 H TYR 15 -1.615 0.315 -2.638
95 HA TYR 15 HA TYR 15 -0.815 2.956 -1.613
96 HB2 TYR 15 1HB TYR 15 1.415 2.493 -2.349
97 HB3 TYR 15 2HB TYR 15 0.858 1.082 -1.455
98 HD1 TYR 15 HD1 TYR 15 1.729 2.394 -4.768
99 HD2 TYR 15 HD2 TYR 15 0.471 -1.028 -2.575
100 HE1 TYR 15 HE1 TYR 15 2.282 0.966 -6.693
101 HE2 TYR 15 HE2 TYR 15 1.021 -2.466 -4.493
102 HH TYR 15 HH TYR 15 1.318 -2.314 -6.883
103 H HIS 16 H HIS 16 0.281 4.345 -3.320
104 HA HIS 16 HA HIS 16 -1.407 4.334 -5.721
105 HB2 HIS 16 1HB HIS 16 0.022 6.501 -4.213
106 HB3 HIS 16 2HB HIS 16 -0.439 6.747 -5.894
107 HD2 HIS 16 HD2 HIS 16 -1.911 7.230 -2.475
108 HE1 HIS 16 HE1 HIS 16 -5.219 6.988 -5.120
109 HE2 HIS 16 HE2 HIS 16 -4.436 7.668 -2.825
110 H SER 17 H SER 17 -0.531 3.600 -7.529
111 HA SER 17 HA SER 17 2.358 3.399 -7.778
112 HB2 SER 17 1HB SER 17 0.616 1.584 -8.435
113 HB3 SER 17 2HB SER 17 0.401 2.548 -9.897
114 HG SER 17 HG SER 17 2.820 2.392 -9.999
115 H GLY 18 H GLY 18 1.499 6.036 -7.761
116 HA2 GLY 18 1HA GLY 18 2.505 6.911 -10.332
117 HA3 GLY 18 2HA GLY 18 0.842 7.379 -10.004
118 H PHE 19 H PHE 19 2.041 9.521 -10.335
119 HA PHE 19 HA PHE 19 3.084 10.446 -7.739
120 HB2 PHE 19 1HB PHE 19 3.631 11.763 -10.396
121 HB3 PHE 19 2HB PHE 19 4.456 12.032 -8.865
122 HD1 PHE 19 HD2 PHE 19 5.618 9.894 -7.857
123 HD2 PHE 19 HD1 PHE 19 4.630 10.419 -11.964
124 HE1 PHE 19 HE2 PHE 19 7.310 8.217 -8.475
125 HE2 PHE 19 HE1 PHE 19 6.320 8.742 -12.587
126 HZ PHE 19 HZ PHE 19 7.663 7.640 -10.842
127 H PHE 20 H PHE 20 2.811 12.955 -7.584
128 HA PHE 20 HA PHE 20 0.012 13.561 -8.274
129 HB2 PHE 20 1HB PHE 20 0.567 13.300 -5.825
130 HB3 PHE 20 2HB PHE 20 1.588 14.726 -5.974
131 HD1 PHE 20 HD1 PHE 20 -1.857 13.477 -6.000
132 HD2 PHE 20 HD2 PHE 20 0.640 16.919 -6.166
133 HE1 PHE 20 HE1 PHE 20 -3.813 14.911 -5.587
134 HE2 PHE 20 HE2 PHE 20 -1.311 18.359 -5.753
135 HZ PHE 20 HZ PHE 20 -3.541 17.356 -5.461
136 H VAL 21 H VAL 21 0.023 14.843 -10.013
137 HA VAL 21 HA VAL 21 1.671 17.275 -9.909
138 HB VAL 21 HB VAL 21 1.260 15.564 -12.365
139 HG11 VAL 21 1HG1 VAL 21 1.310 18.130 -12.595
140 HG12 VAL 21 2HG1 VAL 21 3.023 17.982 -12.196
141 HG13 VAL 21 3HG1 VAL 21 2.375 17.172 -13.623
142 HG21 VAL 21 3HG2 VAL 21 3.215 15.451 -10.310
143 HG22 VAL 21 1HG2 VAL 21 3.137 14.520 -11.806
144 HG23 VAL 21 2HG2 VAL 21 3.995 16.060 -11.770
145 H ASP 22 H ASP 22 0.722 19.120 -10.696
146 HA ASP 22 HA ASP 22 -0.944 20.551 -11.288
147 HB2 ASP 22 1HB ASP 22 -0.827 18.878 -13.332
148 HB3 ASP 22 2HB ASP 22 -2.415 18.395 -12.742
149 H GLY 23 H GLY 23 -1.209 19.490 -8.798
150 HA2 GLY 23 1HA GLY 23 -2.719 19.139 -7.104
151 HA3 GLY 23 2HA GLY 23 -3.856 19.998 -8.132
152 H LYS 24 H LYS 24 -2.307 16.928 -8.895
153 HA LYS 24 HA LYS 24 -4.526 15.316 -8.113
154 HB2 LYS 24 1HB LYS 24 -4.327 16.277 -10.932
155 HB3 LYS 24 2HB LYS 24 -4.852 14.622 -10.650
156 HG2 LYS 24 1HG LYS 24 -6.502 15.766 -8.963
157 HG3 LYS 24 2HG LYS 24 -6.202 17.184 -9.971
158 HD2 LYS 24 1HD LYS 24 -6.924 15.976 -11.942
159 HD3 LYS 24 2HD LYS 24 -7.123 14.498 -10.997
160 HE2 LYS 24 1HE LYS 24 -9.287 15.276 -11.086
161 HE3 LYS 24 2HE LYS 24 -8.731 15.973 -9.565
162 HZ1 LYS 24 3HZ LYS 24 -8.296 17.595 -11.932
163 HZ2 LYS 24 1HZ LYS 24 -8.811 18.049 -10.387
164 HZ3 LYS 24 2HZ LYS 24 -9.913 17.382 -11.483
165 H PHE 25 H PHE 25 -4.281 13.037 -8.994
166 HA PHE 25 HA PHE 25 -1.467 12.328 -8.840
167 HB2 PHE 25 1HB PHE 25 -4.033 10.770 -8.643
168 HB3 PHE 25 2HB PHE 25 -2.485 9.952 -8.822
169 HD1 PHE 25 HD1 PHE 25 -0.682 10.431 -7.095
170 HD2 PHE 25 HD2 PHE 25 -4.771 11.483 -6.555
171 HE1 PHE 25 HE1 PHE 25 -0.318 10.588 -4.666
172 HE2 PHE 25 HE2 PHE 25 -4.414 11.643 -4.126
173 HZ PHE 25 HZ PHE 25 -2.185 11.196 -3.178
174 H LEU 26 H LEU 26 -0.995 10.202 -10.223
175 HA LEU 26 HA LEU 26 -1.743 10.830 -13.003
176 HB2 LEU 26 1HB LEU 26 0.874 9.985 -11.811
177 HB3 LEU 26 2HB LEU 26 0.519 9.710 -13.516
178 HG LEU 26 HG LEU 26 0.091 12.227 -13.650
179 HD11 LEU 26 1HD1 LEU 26 1.227 13.585 -11.977
180 HD12 LEU 26 2HD1 LEU 26 1.610 12.138 -11.047
181 HD13 LEU 26 3HD1 LEU 26 -0.069 12.637 -11.249
182 HD21 LEU 26 3HD2 LEU 26 2.727 12.568 -13.438
183 HD22 LEU 26 1HD2 LEU 26 1.987 11.679 -14.769
184 HD23 LEU 26 2HD2 LEU 26 2.676 10.805 -13.401
185 H CYS 27 H CYS 27 -1.393 8.408 -10.558
186 HA CYS 27 HA CYS 27 -1.689 6.182 -12.374
187 HB2 CYS 27 1HB CYS 27 -1.983 4.914 -10.150
188 HB3 CYS 27 2HB CYS 27 -0.415 5.646 -10.478
189 H CYS 28 H CYS 28 -3.703 7.915 -10.037
190 HA CYS 28 HA CYS 28 -6.049 6.497 -11.120
191 HB2 CYS 28 1HB CYS 28 -7.117 7.245 -8.891
192 HB3 CYS 28 2HB CYS 28 -5.977 5.904 -8.854
193 H GLN 29 H GLN 29 -4.604 9.567 -10.363
194 HA GLN 29 HA GLN 29 -5.145 11.702 -10.934
195 HB2 GLN 29 1HB GLN 29 -7.137 10.381 -12.786
196 HB3 GLN 29 2HB GLN 29 -6.610 12.056 -12.866
197 HG2 GLN 29 1HG GLN 29 -4.540 9.933 -12.999
198 HG3 GLN 29 2HG GLN 29 -5.571 10.188 -14.407
199 HE21 GLN 29 1HE2 GLN 29 -2.984 10.599 -14.775
200 HE22 GLN 29 2HE2 GLN 29 -2.613 12.283 -14.874
201 H GLN 30 H GLN 30 -6.259 10.801 -8.614
202 HA GLN 30 HA GLN 30 -9.083 11.251 -8.521
203 HB2 GLN 30 1HB GLN 30 -7.043 11.146 -6.292
204 HB3 GLN 30 2HB GLN 30 -8.788 11.143 -6.072
205 HG2 GLN 30 1HG GLN 30 -7.554 9.054 -7.792
206 HG3 GLN 30 2HG GLN 30 -7.412 8.918 -6.040
207 HE21 GLN 30 1HE2 GLN 30 -8.713 7.144 -5.834
208 HE22 GLN 30 2HE2 GLN 30 -10.414 7.175 -6.132
209 H SER 31 H SER 31 -9.814 12.878 -6.673
210 HA SER 31 HA SER 31 -8.947 15.495 -7.609
211 HB2 SER 31 1HB SER 31 -11.382 14.888 -7.454
212 HB3 SER 31 2HB SER 31 -11.201 14.842 -5.701
213 HG SER 31 HG SER 31 -10.992 17.049 -7.446
214 H CYS 32 H CYS 32 -9.526 13.904 -4.471
215 HA CYS 32 HA CYS 32 -8.184 15.962 -3.004
216 HB2 CYS 32 1HB CYS 32 -8.941 13.175 -2.105
217 HB3 CYS 32 2HB CYS 32 -8.528 14.533 -1.063
218 H LYS 33 H LYS 33 -6.333 15.463 -1.540
219 HA LYS 33 HA LYS 33 -4.242 14.133 -3.077
220 HB2 LYS 33 1HB LYS 33 -4.303 16.153 -0.883
221 HB3 LYS 33 2HB LYS 33 -2.866 15.152 -1.050
222 HG2 LYS 33 1HG LYS 33 -2.623 15.899 -3.369
223 HG3 LYS 33 2HG LYS 33 -4.050 16.921 -3.181
224 HD2 LYS 33 1HD LYS 33 -2.358 18.433 -2.784
225 HD3 LYS 33 2HD LYS 33 -2.726 17.890 -1.145
226 HE2 LYS 33 1HE LYS 33 -0.890 16.151 -1.499
227 HE3 LYS 33 2HE LYS 33 -0.425 17.102 -2.910
228 HZ1 LYS 33 3HZ LYS 33 0.888 18.025 -1.304
229 HZ2 LYS 33 1HZ LYS 33 -0.236 17.786 -0.063
230 HZ3 LYS 33 2HZ LYS 33 -0.462 19.036 -1.180
231 H ALA 34 H ALA 34 -5.605 14.082 0.203
232 HA ALA 34 HA ALA 34 -4.047 11.763 0.937
233 HB1 ALA 34 3HB ALA 34 -6.337 12.657 2.600
234 HB2 ALA 34 1HB ALA 34 -4.720 12.137 3.078
235 HB3 ALA 34 2HB ALA 34 -4.969 13.756 2.421
236 H ALA 35 H ALA 35 -5.637 11.285 -1.324
237 HA ALA 35 HA ALA 35 -8.046 9.917 -0.578
238 HB1 ALA 35 3HB ALA 35 -8.127 10.771 -2.735
239 HB2 ALA 35 1HB ALA 35 -6.501 10.211 -3.126
240 HB3 ALA 35 2HB ALA 35 -7.827 9.054 -3.004
241 HA PRO 36 HA PRO 36 -6.502 5.921 0.383
242 HB2 PRO 36 1HB PRO 36 -8.466 4.334 -0.614
243 HB3 PRO 36 2HB PRO 36 -8.673 5.320 0.839
244 HG2 PRO 36 1HG PRO 36 -9.554 5.874 -1.967
245 HG3 PRO 36 2HG PRO 36 -10.435 6.121 -0.449
246 HD2 PRO 36 1HD PRO 36 -9.199 8.141 -1.761
247 HD3 PRO 36 2HD PRO 36 -9.345 8.100 0.008
248 H GLY 37 H GLY 37 -5.000 4.637 -0.500
249 HA2 GLY 37 1HA GLY 37 -3.911 4.748 -2.934
250 HA3 GLY 37 2HA GLY 37 -4.015 3.223 -2.065
251 H CYS 38 H CYS 38 -4.350 4.285 -4.994
252 HA CYS 38 HA CYS 38 -6.989 3.314 -5.663
253 HB2 CYS 38 1HB CYS 38 -6.384 3.857 -7.966
254 HB3 CYS 38 2HB CYS 38 -5.993 5.200 -6.897
255 H THR 39 H THR 39 -3.676 2.173 -5.817
256 HA THR 39 HA THR 39 -4.181 -0.103 -7.440
257 HB THR 39 HB THR 39 -1.938 0.336 -5.457
258 HG1 THR 39 HG1 THR 39 -0.879 1.309 -7.102
259 HG21 THR 39 3HG2 THR 39 -2.156 -1.549 -7.809
260 HG22 THR 39 1HG2 THR 39 -2.192 -2.011 -6.107
261 HG23 THR 39 2HG2 THR 39 -0.727 -1.317 -6.802
262 H LEU 40 H LEU 40 -5.308 -1.846 -6.912
263 HA LEU 40 HA LEU 40 -5.243 -2.785 -4.125
264 HB2 LEU 40 1HB LEU 40 -7.507 -3.014 -3.979
265 HB3 LEU 40 2HB LEU 40 -7.402 -1.582 -5.000
266 HG LEU 40 HG LEU 40 -7.764 -4.350 -6.124
267 HD11 LEU 40 1HD1 LEU 40 -10.098 -2.581 -6.037
268 HD12 LEU 40 2HD1 LEU 40 -9.586 -3.201 -4.468
269 HD13 LEU 40 3HD1 LEU 40 -9.977 -4.320 -5.773
270 HD21 LEU 40 3HD2 LEU 40 -6.933 -2.545 -7.612
271 HD22 LEU 40 1HD2 LEU 40 -8.402 -1.633 -7.263
272 HD23 LEU 40 2HD2 LEU 40 -8.505 -3.187 -8.091
273 H TRP 41 H TRP 41 -4.568 -3.449 -7.281
274 HA TRP 41 HA TRP 41 -5.300 -6.243 -7.293
275 HB2 TRP 41 1HB TRP 41 -3.823 -4.445 -9.197
276 HB3 TRP 41 2HB TRP 41 -3.829 -6.192 -9.425
277 HD1 TRP 41 HD1 TRP 41 -6.591 -7.184 -9.273
278 HE1 TRP 41 HE1 TRP 41 -8.557 -6.268 -10.659
279 HE3 TRP 41 HE3 TRP 41 -4.695 -2.577 -10.426
280 HZ2 TRP 41 HZ2 TRP 41 -9.216 -3.906 -12.057
281 HZ3 TRP 41 HZ3 TRP 41 -6.057 -1.050 -11.793
282 HH2 TRP 41 HH2 TRP 41 -8.271 -1.703 -12.591
283 H GLU 42 H GLU 42 -3.698 -5.567 -5.085
284 HA GLU 42 HA GLU 42 -0.977 -6.342 -5.620
285 HB2 GLU 42 1HB GLU 42 -2.348 -6.133 -2.937
286 HB3 GLU 42 2HB GLU 42 -0.619 -6.097 -3.255
287 HG2 GLU 42 1HG GLU 42 -0.768 -3.962 -4.285
288 HG3 GLU 42 2HG GLU 42 -2.530 -4.020 -4.286
289 H ALA 43 H ALA 43 0.056 -8.230 -4.842
290 HA ALA 43 HA ALA 43 -1.552 -10.407 -3.815
291 HB1 ALA 43 3HB ALA 43 -1.766 -11.644 -5.657
292 HB2 ALA 43 1HB ALA 43 -1.351 -10.183 -6.556
293 HB3 ALA 43 2HB ALA 43 -0.096 -11.352 -6.146
294 H TYR 44 H TYR 44 -0.362 -11.332 -2.295
295 HA TYR 44 HA TYR 44 2.569 -11.256 -2.553
296 HB2 TYR 44 1HB TYR 44 1.462 -10.110 -0.575
297 HB3 TYR 44 2HB TYR 44 1.005 -11.713 -0.011
298 HD1 TYR 44 HD1 TYR 44 4.154 -10.302 -1.458
299 HD2 TYR 44 HD2 TYR 44 2.302 -12.331 1.791
300 HE1 TYR 44 HE1 TYR 44 6.344 -10.532 -0.361
301 HE2 TYR 44 HE2 TYR 44 4.486 -12.566 2.897
302 HH TYR 44 HH TYR 44 6.992 -12.626 2.026
303 H SER 45 H SER 45 1.099 -13.224 -3.925
304 HA SER 45 HA SER 45 1.462 -15.660 -2.338
305 HB2 SER 45 1HB SER 45 -0.667 -15.150 -3.709
306 HB3 SER 45 2HB SER 45 0.312 -15.556 -5.119
307 HG SER 45 HG SER 45 0.017 -17.570 -4.647
308 H GLY 46 H GLY 46 2.203 -14.496 -5.632
309 HA2 GLY 46 1HA GLY 46 4.851 -15.692 -5.444
310 HA3 GLY 46 2HA GLY 46 3.786 -16.379 -6.663
311 HA PRO 47 HA PRO 47 5.905 -12.246 -7.958
312 HB2 PRO 47 1HB PRO 47 8.266 -13.138 -8.958
313 HB3 PRO 47 2HB PRO 47 8.073 -12.604 -7.285
314 HG2 PRO 47 1HG PRO 47 8.097 -15.384 -8.396
315 HG3 PRO 47 2HG PRO 47 8.879 -14.757 -6.933
316 HD2 PRO 47 1HD PRO 47 6.552 -16.141 -6.862
317 HD3 PRO 47 2HD PRO 47 6.934 -14.855 -5.699
318 H SER 48 H SER 48 4.950 -15.200 -9.162
319 HA SER 48 HA SER 48 5.586 -14.719 -11.940
320 HB2 SER 48 1HB SER 48 4.069 -16.861 -10.469
321 HB3 SER 48 2HB SER 48 4.009 -16.755 -12.228
322 HG SER 48 HG SER 48 6.139 -17.199 -12.342
323 H SER 49 H SER 49 4.561 -12.989 -12.776
324 HA SER 49 HA SER 49 1.621 -12.941 -12.573
325 HB2 SER 49 1HB SER 49 3.477 -10.558 -12.785
326 HB3 SER 49 2HB SER 49 1.717 -10.490 -12.729
327 HG SER 49 HG SER 49 2.963 -10.183 -10.684
328 H GLY 50 H GLY 50 0.720 -11.448 -14.421
329 HA2 GLY 50 1HA GLY 50 1.069 -12.752 -16.837
330 HA3 GLY 50 2HA GLY 50 0.386 -11.142 -16.672
Start of MODEL 7
1 H1 GLY 1 H GLY 1 22.009 1.208 17.597
2 HA2 GLY 1 1HA GLY 1 21.290 3.557 19.196
3 HA3 GLY 1 2HA GLY 1 20.323 3.202 17.773
4 H SER 2 H SER 2 18.428 2.775 18.853
5 HA SER 2 HA SER 2 18.468 0.459 20.676
6 HB2 SER 2 1HB SER 2 17.630 2.803 21.464
7 HB3 SER 2 2HB SER 2 16.181 2.403 20.542
8 HG SER 2 HG SER 2 15.714 1.545 22.450
9 H SER 3 H SER 3 18.183 -1.201 19.249
10 HA SER 3 HA SER 3 16.201 -1.081 17.164
11 HB2 SER 3 1HB SER 3 17.829 -3.430 18.166
12 HB3 SER 3 2HB SER 3 16.880 -3.392 16.680
13 HG SER 3 HG SER 3 19.360 -2.344 17.211
14 H GLY 4 H GLY 4 14.153 -0.954 17.933
15 HA2 GLY 4 1HA GLY 4 13.318 -2.885 19.988
16 HA3 GLY 4 2HA GLY 4 12.450 -1.421 19.549
17 H SER 5 H SER 5 10.497 -2.231 18.999
18 HA SER 5 HA SER 5 10.202 -4.609 17.429
19 HB2 SER 5 1HB SER 5 8.116 -2.507 18.049
20 HB3 SER 5 2HB SER 5 7.823 -4.166 17.532
21 HG SER 5 HG SER 5 9.368 -3.802 19.817
22 H SER 6 H SER 6 8.963 -4.635 15.377
23 HA SER 6 HA SER 6 9.695 -2.336 13.682
24 HB2 SER 6 1HB SER 6 9.848 -4.007 11.808
25 HB3 SER 6 2HB SER 6 11.067 -4.214 13.064
26 HG SER 6 HG SER 6 10.200 -6.214 12.605
27 H GLY 7 H GLY 7 7.267 -2.370 15.022
28 HA2 GLY 7 1HA GLY 7 4.988 -2.262 14.709
29 HA3 GLY 7 2HA GLY 7 5.426 -1.747 13.087
30 H ASN 8 H ASN 8 3.441 -2.786 12.417
31 HA ASN 8 HA ASN 8 3.396 -5.698 12.546
32 HB2 ASN 8 1HB ASN 8 1.424 -3.574 11.847
33 HB3 ASN 8 2HB ASN 8 1.206 -5.166 11.126
34 HD21 ASN 8 1HD2 ASN 8 0.107 -3.357 13.493
35 HD22 ASN 8 2HD2 ASN 8 -0.209 -4.542 14.710
36 HA PRO 9 HA PRO 9 5.148 -6.281 8.550
37 HB2 PRO 9 1HB PRO 9 4.098 -8.715 7.967
38 HB3 PRO 9 2HB PRO 9 5.395 -8.487 9.145
39 HG2 PRO 9 1HG PRO 9 2.457 -8.828 9.606
40 HG3 PRO 9 2HG PRO 9 3.819 -9.552 10.481
41 HD2 PRO 9 1HD PRO 9 2.453 -7.412 11.424
42 HD3 PRO 9 2HD PRO 9 4.184 -7.655 11.737
43 H HIS 10 H HIS 10 3.937 -4.548 7.545
44 HA HIS 10 HA HIS 10 1.425 -5.286 6.257
45 HB2 HIS 10 1HB HIS 10 1.205 -2.952 5.689
46 HB3 HIS 10 2HB HIS 10 1.669 -3.071 7.385
47 HD2 HIS 10 HD2 HIS 10 4.974 -3.493 6.353
48 HE1 HIS 10 HE1 HIS 10 4.397 0.594 5.371
49 HE2 HIS 10 HE2 HIS 10 6.081 -1.252 5.687
50 H LEU 11 H LEU 11 2.016 -6.702 4.643
51 HA LEU 11 HA LEU 11 4.066 -5.913 2.733
52 HB2 LEU 11 1HB LEU 11 4.070 -8.087 1.989
53 HB3 LEU 11 2HB LEU 11 3.637 -8.287 3.685
54 HG LEU 11 HG LEU 11 1.183 -8.224 2.701
55 HD11 LEU 11 1HD1 LEU 11 2.618 -9.523 0.414
56 HD12 LEU 11 2HD1 LEU 11 2.207 -7.809 0.383
57 HD13 LEU 11 3HD1 LEU 11 0.932 -9.018 0.528
58 HD21 LEU 11 3HD2 LEU 11 1.774 -10.096 3.921
59 HD22 LEU 11 1HD2 LEU 11 3.140 -10.479 2.873
60 HD23 LEU 11 2HD2 LEU 11 1.492 -10.776 2.318
61 H LEU 12 H LEU 12 0.578 -6.433 2.873
62 HA LEU 12 HA LEU 12 0.345 -5.389 0.134
63 HB2 LEU 12 1HB LEU 12 -0.743 -7.454 0.235
64 HB3 LEU 12 2HB LEU 12 -1.425 -7.119 1.825
65 HG LEU 12 HG LEU 12 -2.867 -5.374 0.696
66 HD11 LEU 12 1HD1 LEU 12 -3.177 -5.489 -1.674
67 HD12 LEU 12 2HD1 LEU 12 -2.035 -6.826 -1.808
68 HD13 LEU 12 3HD1 LEU 12 -1.463 -5.221 -1.352
69 HD21 LEU 12 3HD2 LEU 12 -3.641 -7.633 1.386
70 HD22 LEU 12 1HD2 LEU 12 -3.263 -8.212 -0.237
71 HD23 LEU 12 2HD2 LEU 12 -4.505 -6.981 -0.008
72 H VAL 13 H VAL 13 0.417 -3.199 0.471
73 HA VAL 13 HA VAL 13 -1.701 -2.069 2.183
74 HB VAL 13 HB VAL 13 -0.321 -0.040 2.374
75 HG11 VAL 13 1HG1 VAL 13 0.661 -0.865 4.203
76 HG12 VAL 13 2HG1 VAL 13 -0.004 -2.422 3.708
77 HG13 VAL 13 3HG1 VAL 13 1.649 -1.988 3.271
78 HG21 VAL 13 3HG2 VAL 13 1.177 -1.327 0.290
79 HG22 VAL 13 1HG2 VAL 13 1.294 0.326 0.892
80 HG23 VAL 13 2HG2 VAL 13 2.230 -0.959 1.656
81 H LYS 14 H LYS 14 -2.898 -0.320 1.406
82 HA LYS 14 HA LYS 14 -3.155 -0.241 -1.475
83 HB2 LYS 14 1HB LYS 14 -4.712 1.278 0.625
84 HB3 LYS 14 2HB LYS 14 -5.151 1.089 -1.069
85 HG2 LYS 14 1HG LYS 14 -5.607 -1.216 -0.790
86 HG3 LYS 14 2HG LYS 14 -4.865 -1.238 0.812
87 HD2 LYS 14 1HD LYS 14 -6.635 0.003 1.759
88 HD3 LYS 14 2HD LYS 14 -7.260 0.466 0.174
89 HE2 LYS 14 1HE LYS 14 -8.247 -1.573 -0.183
90 HE3 LYS 14 2HE LYS 14 -7.102 -2.428 0.851
91 HZ1 LYS 14 3HZ LYS 14 -9.023 -0.514 2.009
92 HZ2 LYS 14 1HZ LYS 14 -8.232 -1.811 2.754
93 HZ3 LYS 14 2HZ LYS 14 -9.497 -2.102 1.669
94 H TYR 15 H TYR 15 -1.308 0.821 -2.193
95 HA TYR 15 HA TYR 15 -1.020 3.627 -1.351
96 HB2 TYR 15 1HB TYR 15 1.283 3.467 -2.271
97 HB3 TYR 15 2HB TYR 15 0.991 2.337 -0.953
98 HD1 TYR 15 HD1 TYR 15 0.680 2.408 -4.683
99 HD2 TYR 15 HD2 TYR 15 1.824 0.210 -1.225
100 HE1 TYR 15 HE1 TYR 15 1.425 0.554 -6.116
101 HE2 TYR 15 HE2 TYR 15 2.574 -1.650 -2.648
102 HH TYR 15 HH TYR 15 3.246 -2.103 -4.885
103 H HIS 16 H HIS 16 0.153 4.895 -3.269
104 HA HIS 16 HA HIS 16 -1.584 4.537 -5.617
105 HB2 HIS 16 1HB HIS 16 -0.329 6.984 -4.388
106 HB3 HIS 16 2HB HIS 16 -0.951 6.992 -6.036
107 HD2 HIS 16 HD2 HIS 16 -2.208 7.391 -2.452
108 HE1 HIS 16 HE1 HIS 16 -5.633 7.022 -4.929
109 HE2 HIS 16 HE2 HIS 16 -4.770 7.676 -2.655
110 H SER 17 H SER 17 -0.610 3.666 -7.313
111 HA SER 17 HA SER 17 2.261 3.659 -7.558
112 HB2 SER 17 1HB SER 17 1.842 2.302 -9.592
113 HB3 SER 17 2HB SER 17 1.007 1.660 -8.177
114 HG SER 17 HG SER 17 -0.020 2.531 -10.515
115 H GLY 18 H GLY 18 1.400 6.262 -7.608
116 HA2 GLY 18 1HA GLY 18 2.300 7.071 -10.255
117 HA3 GLY 18 2HA GLY 18 0.691 7.611 -9.798
118 H PHE 19 H PHE 19 1.398 9.786 -9.941
119 HA PHE 19 HA PHE 19 2.791 10.670 -7.521
120 HB2 PHE 19 1HB PHE 19 3.550 11.310 -10.353
121 HB3 PHE 19 2HB PHE 19 3.873 12.469 -9.067
122 HD1 PHE 19 HD2 PHE 19 5.202 11.607 -7.037
123 HD2 PHE 19 HD1 PHE 19 5.053 9.608 -10.792
124 HE1 PHE 19 HE2 PHE 19 7.274 10.406 -6.477
125 HE2 PHE 19 HE1 PHE 19 7.125 8.403 -10.237
126 HZ PHE 19 HZ PHE 19 8.239 8.802 -8.077
127 H PHE 20 H PHE 20 2.637 13.178 -7.397
128 HA PHE 20 HA PHE 20 -0.142 13.896 -8.046
129 HB2 PHE 20 1HB PHE 20 0.509 13.776 -5.620
130 HB3 PHE 20 2HB PHE 20 1.615 15.114 -5.909
131 HD1 PHE 20 HD1 PHE 20 -1.960 14.275 -6.591
132 HD2 PHE 20 HD2 PHE 20 0.865 17.190 -5.313
133 HE1 PHE 20 HE1 PHE 20 -3.791 15.867 -6.189
134 HE2 PHE 20 HE2 PHE 20 -0.961 18.788 -4.908
135 HZ PHE 20 HZ PHE 20 -3.293 18.127 -5.345
136 H VAL 21 H VAL 21 0.040 14.873 -10.010
137 HA VAL 21 HA VAL 21 1.715 17.296 -10.112
138 HB VAL 21 HB VAL 21 1.134 15.420 -12.407
139 HG11 VAL 21 1HG1 VAL 21 2.157 18.173 -12.266
140 HG12 VAL 21 2HG1 VAL 21 3.093 17.071 -13.278
141 HG13 VAL 21 3HG1 VAL 21 1.375 17.318 -13.595
142 HG21 VAL 21 3HG2 VAL 21 3.315 15.597 -10.471
143 HG22 VAL 21 1HG2 VAL 21 2.861 14.279 -11.552
144 HG23 VAL 21 2HG2 VAL 21 3.856 15.606 -12.150
145 H ASP 22 H ASP 22 0.738 19.131 -10.752
146 HA ASP 22 HA ASP 22 -0.873 20.586 -11.438
147 HB2 ASP 22 1HB ASP 22 -0.834 18.875 -13.434
148 HB3 ASP 22 2HB ASP 22 -2.404 18.399 -12.793
149 H GLY 23 H GLY 23 -1.106 19.424 -8.912
150 HA2 GLY 23 1HA GLY 23 -2.598 19.170 -7.186
151 HA3 GLY 23 2HA GLY 23 -3.693 20.134 -8.166
152 H LYS 24 H LYS 24 -2.381 16.950 -8.949
153 HA LYS 24 HA LYS 24 -4.709 15.507 -8.176
154 HB2 LYS 24 1HB LYS 24 -5.582 16.730 -10.161
155 HB3 LYS 24 2HB LYS 24 -4.343 15.959 -11.143
156 HG2 LYS 24 1HG LYS 24 -5.296 13.785 -10.714
157 HG3 LYS 24 2HG LYS 24 -6.481 14.490 -9.613
158 HD2 LYS 24 1HD LYS 24 -7.715 14.292 -11.550
159 HD3 LYS 24 2HD LYS 24 -7.115 15.946 -11.688
160 HE2 LYS 24 1HE LYS 24 -5.540 13.691 -12.855
161 HE3 LYS 24 2HE LYS 24 -6.947 14.310 -13.717
162 HZ1 LYS 24 3HZ LYS 24 -5.268 15.600 -14.562
163 HZ2 LYS 24 1HZ LYS 24 -4.405 15.653 -13.107
164 HZ3 LYS 24 2HZ LYS 24 -5.804 16.585 -13.295
165 H PHE 25 H PHE 25 -4.522 13.248 -8.559
166 HA PHE 25 HA PHE 25 -1.811 12.339 -8.638
167 HB2 PHE 25 1HB PHE 25 -4.481 11.057 -8.246
168 HB3 PHE 25 2HB PHE 25 -3.106 10.035 -8.648
169 HD1 PHE 25 HD1 PHE 25 -0.898 11.046 -7.203
170 HD2 PHE 25 HD2 PHE 25 -4.984 10.902 -6.019
171 HE1 PHE 25 HE1 PHE 25 -0.210 11.043 -4.841
172 HE2 PHE 25 HE2 PHE 25 -4.303 10.900 -3.655
173 HZ PHE 25 HZ PHE 25 -1.913 10.972 -3.064
174 H LEU 26 H LEU 26 -1.324 10.304 -10.004
175 HA LEU 26 HA LEU 26 -2.176 10.845 -12.773
176 HB2 LEU 26 1HB LEU 26 0.460 10.059 -11.604
177 HB3 LEU 26 2HB LEU 26 0.073 9.625 -13.267
178 HG LEU 26 HG LEU 26 -0.331 12.089 -13.678
179 HD11 LEU 26 1HD1 LEU 26 -0.354 12.403 -11.049
180 HD12 LEU 26 2HD1 LEU 26 0.184 13.681 -12.138
181 HD13 LEU 26 3HD1 LEU 26 1.370 12.666 -11.317
182 HD21 LEU 26 3HD2 LEU 26 1.940 12.506 -14.141
183 HD22 LEU 26 1HD2 LEU 26 1.748 10.757 -14.263
184 HD23 LEU 26 2HD2 LEU 26 2.483 11.465 -12.824
185 H CYS 27 H CYS 27 -1.724 8.453 -10.297
186 HA CYS 27 HA CYS 27 -2.006 6.164 -11.978
187 HB2 CYS 27 1HB CYS 27 -2.562 5.048 -9.714
188 HB3 CYS 27 2HB CYS 27 -0.949 5.716 -9.938
189 H CYS 28 H CYS 28 -4.228 7.869 -9.782
190 HA CYS 28 HA CYS 28 -6.467 6.664 -11.271
191 HB2 CYS 28 1HB CYS 28 -7.746 6.924 -9.062
192 HB3 CYS 28 2HB CYS 28 -6.569 5.619 -9.163
193 H GLN 29 H GLN 29 -4.983 9.276 -11.483
194 HA GLN 29 HA GLN 29 -5.398 11.554 -11.483
195 HB2 GLN 29 1HB GLN 29 -7.612 10.185 -12.967
196 HB3 GLN 29 2HB GLN 29 -7.608 11.938 -12.826
197 HG2 GLN 29 1HG GLN 29 -6.586 11.395 -14.888
198 HG3 GLN 29 2HG GLN 29 -5.308 11.928 -13.799
199 HE21 GLN 29 1HE2 GLN 29 -3.628 10.862 -14.703
200 HE22 GLN 29 2HE2 GLN 29 -3.500 9.141 -14.779
201 H GLN 30 H GLN 30 -6.141 10.474 -8.985
202 HA GLN 30 HA GLN 30 -8.745 11.561 -8.318
203 HB2 GLN 30 1HB GLN 30 -6.671 9.968 -6.879
204 HB3 GLN 30 2HB GLN 30 -7.832 10.886 -5.931
205 HG2 GLN 30 1HG GLN 30 -9.543 9.684 -7.556
206 HG3 GLN 30 2HG GLN 30 -8.235 8.506 -7.646
207 HE21 GLN 30 1HE2 GLN 30 -7.517 7.521 -5.688
208 HE22 GLN 30 2HE2 GLN 30 -8.591 7.374 -4.340
209 H SER 31 H SER 31 -8.783 13.738 -8.338
210 HA SER 31 HA SER 31 -6.817 15.557 -7.923
211 HB2 SER 31 1HB SER 31 -9.724 15.699 -7.124
212 HB3 SER 31 2HB SER 31 -8.639 17.085 -7.007
213 HG SER 31 HG SER 31 -8.193 16.588 -9.325
214 H CYS 32 H CYS 32 -8.624 13.832 -5.441
215 HA CYS 32 HA CYS 32 -7.623 15.273 -3.222
216 HB2 CYS 32 1HB CYS 32 -8.657 12.433 -3.361
217 HB3 CYS 32 2HB CYS 32 -8.422 13.362 -1.884
218 H LYS 33 H LYS 33 -5.900 14.912 -1.879
219 HA LYS 33 HA LYS 33 -3.707 13.388 -3.017
220 HB2 LYS 33 1HB LYS 33 -3.973 15.405 -0.818
221 HB3 LYS 33 2HB LYS 33 -2.548 14.377 -0.884
222 HG2 LYS 33 1HG LYS 33 -2.212 15.167 -3.244
223 HG3 LYS 33 2HG LYS 33 -3.491 16.347 -2.950
224 HD2 LYS 33 1HD LYS 33 -1.151 16.143 -1.092
225 HD3 LYS 33 2HD LYS 33 -1.021 17.049 -2.601
226 HE2 LYS 33 1HE LYS 33 -3.229 17.523 -0.616
227 HE3 LYS 33 2HE LYS 33 -1.679 18.359 -0.521
228 HZ1 LYS 33 3HZ LYS 33 -2.916 19.816 -1.757
229 HZ2 LYS 33 1HZ LYS 33 -3.800 18.603 -2.539
230 HZ3 LYS 33 2HZ LYS 33 -2.199 18.908 -2.993
231 H ALA 34 H ALA 34 -5.507 13.495 0.048
232 HA ALA 34 HA ALA 34 -4.227 11.077 0.992
233 HB1 ALA 34 3HB ALA 34 -4.646 12.599 2.710
234 HB2 ALA 34 1HB ALA 34 -6.281 12.936 2.140
235 HB3 ALA 34 2HB ALA 34 -5.913 11.387 2.900
236 H ALA 35 H ALA 35 -5.597 10.690 -1.429
237 HA ALA 35 HA ALA 35 -8.165 9.504 -0.900
238 HB1 ALA 35 3HB ALA 35 -6.756 10.372 -3.187
239 HB2 ALA 35 1HB ALA 35 -7.106 8.657 -3.407
240 HB3 ALA 35 2HB ALA 35 -8.418 9.791 -3.083
241 HA PRO 36 HA PRO 36 -7.035 5.353 -0.042
242 HB2 PRO 36 1HB PRO 36 -8.822 3.920 -1.500
243 HB3 PRO 36 2HB PRO 36 -9.272 4.828 -0.053
244 HG2 PRO 36 1HG PRO 36 -9.570 5.586 -2.933
245 HG3 PRO 36 2HG PRO 36 -10.721 5.786 -1.599
246 HD2 PRO 36 1HD PRO 36 -9.183 7.819 -2.512
247 HD3 PRO 36 2HD PRO 36 -9.673 7.682 -0.811
248 H GLY 37 H GLY 37 -5.682 3.757 -0.737
249 HA2 GLY 37 1HA GLY 37 -4.140 4.092 -3.022
250 HA3 GLY 37 2HA GLY 37 -4.262 2.592 -2.115
251 H CYS 38 H CYS 38 -5.115 4.257 -4.978
252 HA CYS 38 HA CYS 38 -7.314 2.831 -5.893
253 HB2 CYS 38 1HB CYS 38 -6.547 3.435 -8.166
254 HB3 CYS 38 2HB CYS 38 -6.482 4.800 -7.054
255 H THR 39 H THR 39 -4.058 1.814 -5.476
256 HA THR 39 HA THR 39 -3.903 -0.258 -7.362
257 HB THR 39 HB THR 39 -2.159 -1.234 -5.892
258 HG1 THR 39 HG1 THR 39 -1.708 0.370 -4.030
259 HG21 THR 39 3HG2 THR 39 -1.386 0.419 -7.397
260 HG22 THR 39 1HG2 THR 39 -0.689 0.839 -5.833
261 HG23 THR 39 2HG2 THR 39 -2.087 1.726 -6.442
262 H LEU 40 H LEU 40 -5.512 -0.045 -4.290
263 HA LEU 40 HA LEU 40 -5.790 -2.508 -3.309
264 HB2 LEU 40 1HB LEU 40 -7.828 -1.906 -2.425
265 HB3 LEU 40 2HB LEU 40 -7.107 -0.341 -2.794
266 HG LEU 40 HG LEU 40 -8.966 -1.642 -4.746
267 HD11 LEU 40 1HD1 LEU 40 -9.682 -0.977 -2.099
268 HD12 LEU 40 2HD1 LEU 40 -10.739 -1.421 -3.439
269 HD13 LEU 40 3HD1 LEU 40 -10.346 0.273 -3.150
270 HD21 LEU 40 3HD2 LEU 40 -9.098 0.424 -5.699
271 HD22 LEU 40 1HD2 LEU 40 -7.475 0.530 -5.017
272 HD23 LEU 40 2HD2 LEU 40 -8.836 1.269 -4.173
273 H TRP 41 H TRP 41 -6.862 -4.418 -3.730
274 HA TRP 41 HA TRP 41 -6.959 -5.422 -6.257
275 HB2 TRP 41 1HB TRP 41 -8.158 -7.267 -5.407
276 HB3 TRP 41 2HB TRP 41 -7.256 -6.647 -4.027
277 HD1 TRP 41 HD1 TRP 41 -10.816 -6.102 -5.507
278 HE1 TRP 41 HE1 TRP 41 -12.469 -5.973 -3.539
279 HE3 TRP 41 HE3 TRP 41 -7.512 -6.588 -1.636
280 HZ2 TRP 41 HZ2 TRP 41 -12.385 -6.064 -0.719
281 HZ3 TRP 41 HZ3 TRP 41 -8.379 -6.556 0.666
282 HH2 TRP 41 HH2 TRP 41 -10.765 -6.299 1.114
283 H GLU 42 H GLU 42 -8.482 -5.682 -7.876
284 HA GLU 42 HA GLU 42 -11.039 -4.284 -7.581
285 HB2 GLU 42 1HB GLU 42 -8.982 -3.768 -9.724
286 HB3 GLU 42 2HB GLU 42 -10.676 -3.343 -9.920
287 HG2 GLU 42 1HG GLU 42 -10.581 -1.800 -8.114
288 HG3 GLU 42 2HG GLU 42 -8.975 -2.355 -7.647
289 H ALA 43 H ALA 43 -12.542 -4.779 -9.397
290 HA ALA 43 HA ALA 43 -13.198 -7.350 -9.683
291 HB1 ALA 43 3HB ALA 43 -13.379 -5.308 -11.895
292 HB2 ALA 43 1HB ALA 43 -14.297 -6.811 -11.810
293 HB3 ALA 43 2HB ALA 43 -14.551 -5.553 -10.599
294 H TYR 44 H TYR 44 -11.725 -8.939 -9.948
295 HA TYR 44 HA TYR 44 -9.532 -8.804 -11.745
296 HB2 TYR 44 1HB TYR 44 -9.448 -10.234 -9.780
297 HB3 TYR 44 2HB TYR 44 -10.810 -11.177 -10.372
298 HD1 TYR 44 HD1 TYR 44 -7.338 -10.182 -11.304
299 HD2 TYR 44 HD2 TYR 44 -10.415 -13.105 -11.609
300 HE1 TYR 44 HE1 TYR 44 -5.780 -11.693 -12.459
301 HE2 TYR 44 HE2 TYR 44 -8.865 -14.625 -12.763
302 HH TYR 44 HH TYR 44 -5.739 -14.466 -12.693
303 H SER 45 H SER 45 -12.351 -10.992 -11.825
304 HA SER 45 HA SER 45 -12.967 -10.480 -14.537
305 HB2 SER 45 1HB SER 45 -12.215 -12.557 -15.564
306 HB3 SER 45 2HB SER 45 -10.832 -11.706 -14.877
307 HG SER 45 HG SER 45 -12.133 -13.543 -13.241
308 H GLY 46 H GLY 46 -14.342 -12.486 -15.410
309 HA2 GLY 46 1HA GLY 46 -15.652 -14.148 -13.552
310 HA3 GLY 46 2HA GLY 46 -16.589 -12.674 -13.748
311 HA PRO 47 HA PRO 47 -17.402 -15.892 -17.169
312 HB2 PRO 47 1HB PRO 47 -19.796 -16.819 -16.289
313 HB3 PRO 47 2HB PRO 47 -18.256 -17.563 -15.845
314 HG2 PRO 47 1HG PRO 47 -19.951 -15.647 -14.290
315 HG3 PRO 47 2HG PRO 47 -19.108 -17.102 -13.731
316 HD2 PRO 47 1HD PRO 47 -18.123 -14.609 -13.343
317 HD3 PRO 47 2HD PRO 47 -17.076 -16.022 -13.584
318 H SER 48 H SER 48 -17.611 -13.817 -18.268
319 HA SER 48 HA SER 48 -20.427 -12.991 -18.524
320 HB2 SER 48 1HB SER 48 -18.700 -11.350 -17.408
321 HB3 SER 48 2HB SER 48 -18.204 -11.058 -19.075
322 HG SER 48 HG SER 48 -20.928 -10.963 -18.399
323 H SER 49 H SER 49 -21.017 -12.129 -20.625
324 HA SER 49 HA SER 49 -19.441 -13.376 -22.775
325 HB2 SER 49 1HB SER 49 -21.645 -14.327 -22.656
326 HB3 SER 49 2HB SER 49 -22.391 -12.731 -22.592
327 HG SER 49 HG SER 49 -22.262 -12.600 -24.687
328 H GLY 50 H GLY 50 -18.140 -11.892 -23.663
329 HA2 GLY 50 1HA GLY 50 -18.760 -10.000 -25.423
330 HA3 GLY 50 2HA GLY 50 -19.026 -9.128 -23.922
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.710 7.239 14.792
2 HA2 GLY 1 1HA GLY 1 -11.695 6.688 11.888
3 HA3 GLY 1 2HA GLY 1 -11.233 8.252 12.542
4 H SER 2 H SER 2 -9.182 8.092 11.561
5 HA SER 2 HA SER 2 -7.302 6.475 13.112
6 HB2 SER 2 1HB SER 2 -6.099 5.804 11.046
7 HB3 SER 2 2HB SER 2 -7.728 5.131 11.126
8 HG SER 2 HG SER 2 -7.160 6.061 9.063
9 H SER 3 H SER 3 -5.074 7.210 12.913
10 HA SER 3 HA SER 3 -4.414 9.625 11.571
11 HB2 SER 3 1HB SER 3 -5.879 10.474 13.446
12 HB3 SER 3 2HB SER 3 -4.660 9.880 14.574
13 HG SER 3 HG SER 3 -3.596 11.639 14.202
14 H GLY 4 H GLY 4 -2.263 10.539 12.597
15 HA2 GLY 4 1HA GLY 4 -0.226 8.809 12.226
16 HA3 GLY 4 2HA GLY 4 -0.109 10.154 13.350
17 H SER 5 H SER 5 1.073 7.440 13.429
18 HA SER 5 HA SER 5 0.302 6.825 16.170
19 HB2 SER 5 1HB SER 5 0.069 4.900 13.868
20 HB3 SER 5 2HB SER 5 0.346 4.322 15.510
21 HG SER 5 HG SER 5 -1.932 5.279 14.369
22 H SER 6 H SER 6 1.801 5.003 17.021
23 HA SER 6 HA SER 6 4.433 5.920 16.922
24 HB2 SER 6 1HB SER 6 3.188 3.361 17.897
25 HB3 SER 6 2HB SER 6 4.936 3.587 17.944
26 HG SER 6 HG SER 6 4.715 5.155 19.413
27 H GLY 7 H GLY 7 3.223 2.814 15.632
28 HA2 GLY 7 1HA GLY 7 5.221 3.059 13.475
29 HA3 GLY 7 2HA GLY 7 5.039 1.557 14.367
30 H ASN 8 H ASN 8 4.783 1.073 11.883
31 HA ASN 8 HA ASN 8 1.911 1.194 11.239
32 HB2 ASN 8 1HB ASN 8 2.858 0.634 8.855
33 HB3 ASN 8 2HB ASN 8 2.898 2.290 9.454
34 HD21 ASN 8 1HD2 ASN 8 4.813 3.283 9.746
35 HD22 ASN 8 2HD2 ASN 8 6.346 2.557 9.415
36 HA PRO 9 HA PRO 9 2.901 -3.238 12.146
37 HB2 PRO 9 1HB PRO 9 0.600 -3.706 13.508
38 HB3 PRO 9 2HB PRO 9 2.052 -3.046 14.272
39 HG2 PRO 9 1HG PRO 9 -0.395 -1.618 13.307
40 HG3 PRO 9 2HG PRO 9 0.521 -1.380 14.806
41 HD2 PRO 9 1HD PRO 9 0.798 0.242 12.657
42 HD3 PRO 9 2HD PRO 9 2.140 -0.112 13.765
43 H HIS 10 H HIS 10 0.839 -1.528 10.214
44 HA HIS 10 HA HIS 10 -1.136 -3.395 9.501
45 HB2 HIS 10 1HB HIS 10 0.119 -1.096 8.007
46 HB3 HIS 10 2HB HIS 10 -1.169 -2.077 7.311
47 HD2 HIS 10 HD2 HIS 10 -2.169 0.828 7.625
48 HE1 HIS 10 HE1 HIS 10 -3.717 -0.226 11.431
49 HE2 HIS 10 HE2 HIS 10 -3.836 1.406 9.516
50 H LEU 11 H LEU 11 -0.227 -5.440 9.287
51 HA LEU 11 HA LEU 11 2.008 -6.255 7.971
52 HB2 LEU 11 1HB LEU 11 0.762 -7.890 9.089
53 HB3 LEU 11 2HB LEU 11 -0.705 -7.513 8.187
54 HG LEU 11 HG LEU 11 0.599 -8.416 6.143
55 HD11 LEU 11 1HD1 LEU 11 2.554 -9.455 6.428
56 HD12 LEU 11 2HD1 LEU 11 2.021 -10.249 7.909
57 HD13 LEU 11 3HD1 LEU 11 2.636 -8.597 7.966
58 HD21 LEU 11 3HD2 LEU 11 -0.526 -10.067 8.384
59 HD22 LEU 11 1HD2 LEU 11 0.006 -10.791 6.866
60 HD23 LEU 11 2HD2 LEU 11 -1.291 -9.595 6.866
61 H LEU 12 H LEU 12 -1.134 -5.529 6.504
62 HA LEU 12 HA LEU 12 0.198 -5.495 3.877
63 HB2 LEU 12 1HB LEU 12 -1.877 -6.210 2.858
64 HB3 LEU 12 2HB LEU 12 -1.343 -7.379 4.064
65 HG LEU 12 HG LEU 12 -3.368 -5.312 4.809
66 HD11 LEU 12 1HD1 LEU 12 -3.722 -7.452 2.845
67 HD12 LEU 12 2HD1 LEU 12 -4.711 -6.027 3.168
68 HD13 LEU 12 3HD1 LEU 12 -4.893 -7.473 4.163
69 HD21 LEU 12 3HD2 LEU 12 -3.454 -6.505 6.678
70 HD22 LEU 12 1HD2 LEU 12 -2.134 -7.501 6.066
71 HD23 LEU 12 2HD2 LEU 12 -3.806 -7.975 5.770
72 H VAL 13 H VAL 13 0.005 -3.683 2.702
73 HA VAL 13 HA VAL 13 -2.140 -1.794 3.237
74 HB VAL 13 HB VAL 13 -0.381 -1.118 4.819
75 HG11 VAL 13 1HG1 VAL 13 1.323 -1.684 2.605
76 HG12 VAL 13 2HG1 VAL 13 1.544 0.001 3.080
77 HG13 VAL 13 3HG1 VAL 13 1.761 -1.286 4.266
78 HG21 VAL 13 3HG2 VAL 13 -0.518 1.158 4.378
79 HG22 VAL 13 1HG2 VAL 13 -0.396 0.929 2.633
80 HG23 VAL 13 2HG2 VAL 13 -1.886 0.504 3.478
81 H LYS 14 H LYS 14 -2.471 -0.285 1.569
82 HA LYS 14 HA LYS 14 -1.213 -1.054 -0.968
83 HB2 LYS 14 1HB LYS 14 -3.150 0.211 -1.980
84 HB3 LYS 14 2HB LYS 14 -3.582 -1.234 -1.076
85 HG2 LYS 14 1HG LYS 14 -4.178 0.166 0.850
86 HG3 LYS 14 2HG LYS 14 -3.783 1.605 -0.091
87 HD2 LYS 14 1HD LYS 14 -5.585 1.286 -1.549
88 HD3 LYS 14 2HD LYS 14 -5.783 -0.404 -1.078
89 HE2 LYS 14 1HE LYS 14 -6.315 1.977 0.698
90 HE3 LYS 14 2HE LYS 14 -7.548 1.057 -0.163
91 HZ1 LYS 14 3HZ LYS 14 -6.697 -0.935 1.081
92 HZ2 LYS 14 1HZ LYS 14 -7.490 0.224 2.024
93 HZ3 LYS 14 2HZ LYS 14 -5.802 0.130 2.043
94 H TYR 15 H TYR 15 -1.083 0.827 -2.589
95 HA TYR 15 HA TYR 15 -0.476 3.405 -1.419
96 HB2 TYR 15 1HB TYR 15 1.798 3.460 -1.769
97 HB3 TYR 15 2HB TYR 15 1.593 1.769 -1.324
98 HD1 TYR 15 HD2 TYR 15 0.825 0.331 -3.579
99 HD2 TYR 15 HD1 TYR 15 3.324 3.771 -3.459
100 HE1 TYR 15 HE2 TYR 15 1.864 -0.358 -5.699
101 HE2 TYR 15 HE1 TYR 15 4.371 3.093 -5.578
102 HH TYR 15 HH TYR 15 3.093 0.894 -7.637
103 H HIS 16 H HIS 16 0.525 4.847 -3.270
104 HA HIS 16 HA HIS 16 -1.300 4.573 -5.527
105 HB2 HIS 16 1HB HIS 16 0.238 6.812 -4.304
106 HB3 HIS 16 2HB HIS 16 -0.143 6.923 -6.019
107 HD2 HIS 16 HD2 HIS 16 -1.652 8.088 -2.878
108 HE1 HIS 16 HE1 HIS 16 -4.982 7.250 -5.370
109 HE2 HIS 16 HE2 HIS 16 -4.175 8.454 -3.310
110 H SER 17 H SER 17 -0.646 3.612 -7.323
111 HA SER 17 HA SER 17 2.159 3.169 -7.839
112 HB2 SER 17 1HB SER 17 -0.396 2.307 -9.168
113 HB3 SER 17 2HB SER 17 1.154 2.083 -9.979
114 HG SER 17 HG SER 17 1.067 0.279 -8.851
115 H GLY 18 H GLY 18 1.624 5.883 -7.836
116 HA2 GLY 18 1HA GLY 18 2.604 6.615 -10.432
117 HA3 GLY 18 2HA GLY 18 0.957 7.165 -10.160
118 H PHE 19 H PHE 19 2.033 9.289 -10.487
119 HA PHE 19 HA PHE 19 3.217 10.251 -7.966
120 HB2 PHE 19 1HB PHE 19 3.636 11.470 -10.699
121 HB3 PHE 19 2HB PHE 19 4.478 11.876 -9.207
122 HD1 PHE 19 HD2 PHE 19 6.053 10.223 -8.203
123 HD2 PHE 19 HD1 PHE 19 4.358 9.700 -12.072
124 HE1 PHE 19 HE2 PHE 19 7.801 8.579 -8.743
125 HE2 PHE 19 HE1 PHE 19 6.104 8.054 -12.618
126 HZ PHE 19 HZ PHE 19 7.829 7.493 -10.953
127 H PHE 20 H PHE 20 2.681 12.424 -7.328
128 HA PHE 20 HA PHE 20 0.006 13.217 -8.261
129 HB2 PHE 20 1HB PHE 20 0.146 12.570 -5.884
130 HB3 PHE 20 2HB PHE 20 1.359 13.818 -5.623
131 HD1 PHE 20 HD2 PHE 20 0.715 16.220 -5.907
132 HD2 PHE 20 HD1 PHE 20 -2.148 13.071 -5.850
133 HE1 PHE 20 HE2 PHE 20 -1.064 17.851 -5.429
134 HE2 PHE 20 HE1 PHE 20 -3.932 14.697 -5.374
135 HZ PHE 20 HZ PHE 20 -3.391 17.090 -5.161
136 H VAL 21 H VAL 21 0.248 14.741 -9.783
137 HA VAL 21 HA VAL 21 1.873 17.098 -9.092
138 HB VAL 21 HB VAL 21 2.470 17.367 -11.463
139 HG11 VAL 21 1HG1 VAL 21 3.738 15.882 -9.676
140 HG12 VAL 21 2HG1 VAL 21 3.361 14.604 -10.834
141 HG13 VAL 21 3HG1 VAL 21 4.299 16.008 -11.343
142 HG21 VAL 21 3HG2 VAL 21 1.991 15.754 -13.116
143 HG22 VAL 21 1HG2 VAL 21 1.418 14.588 -11.923
144 HG23 VAL 21 2HG2 VAL 21 0.468 16.031 -12.273
145 H ASP 22 H ASP 22 1.248 19.037 -10.420
146 HA ASP 22 HA ASP 22 -0.353 20.613 -10.826
147 HB2 ASP 22 1HB ASP 22 -0.342 19.021 -12.896
148 HB3 ASP 22 2HB ASP 22 -1.917 18.514 -12.291
149 H GLY 23 H GLY 23 -0.682 19.384 -8.347
150 HA2 GLY 23 1HA GLY 23 -2.215 19.136 -6.657
151 HA3 GLY 23 2HA GLY 23 -3.253 20.173 -7.625
152 H LYS 24 H LYS 24 -2.049 16.955 -8.456
153 HA LYS 24 HA LYS 24 -4.452 15.593 -7.784
154 HB2 LYS 24 1HB LYS 24 -4.122 16.655 -10.548
155 HB3 LYS 24 2HB LYS 24 -4.799 15.042 -10.367
156 HG2 LYS 24 1HG LYS 24 -6.362 16.244 -8.632
157 HG3 LYS 24 2HG LYS 24 -5.923 17.675 -9.566
158 HD2 LYS 24 1HD LYS 24 -6.901 15.171 -10.902
159 HD3 LYS 24 2HD LYS 24 -8.025 16.372 -10.263
160 HE2 LYS 24 1HE LYS 24 -5.803 17.141 -12.126
161 HE3 LYS 24 2HE LYS 24 -7.343 16.534 -12.736
162 HZ1 LYS 24 3HZ LYS 24 -7.016 19.057 -12.454
163 HZ2 LYS 24 1HZ LYS 24 -7.288 18.763 -10.810
164 HZ3 LYS 24 2HZ LYS 24 -8.475 18.366 -11.947
165 H PHE 25 H PHE 25 -4.475 13.380 -9.081
166 HA PHE 25 HA PHE 25 -1.736 12.345 -8.889
167 HB2 PHE 25 1HB PHE 25 -4.426 10.989 -8.676
168 HB3 PHE 25 2HB PHE 25 -2.906 10.103 -8.749
169 HD1 PHE 25 HD1 PHE 25 -1.276 10.287 -6.915
170 HD2 PHE 25 HD2 PHE 25 -5.122 12.098 -6.692
171 HE1 PHE 25 HE1 PHE 25 -1.021 10.522 -4.479
172 HE2 PHE 25 HE2 PHE 25 -4.873 12.336 -4.256
173 HZ PHE 25 HZ PHE 25 -2.820 11.548 -3.146
174 H LEU 26 H LEU 26 -1.424 10.309 -10.335
175 HA LEU 26 HA LEU 26 -2.436 10.910 -13.037
176 HB2 LEU 26 1HB LEU 26 0.309 9.847 -12.407
177 HB3 LEU 26 2HB LEU 26 -0.305 10.375 -13.973
178 HG LEU 26 HG LEU 26 0.190 12.180 -11.606
179 HD11 LEU 26 1HD1 LEU 26 2.069 11.009 -13.263
180 HD12 LEU 26 2HD1 LEU 26 2.292 12.454 -12.278
181 HD13 LEU 26 3HD1 LEU 26 1.812 12.606 -13.969
182 HD21 LEU 26 3HD2 LEU 26 -1.540 13.088 -12.973
183 HD22 LEU 26 1HD2 LEU 26 -0.651 12.713 -14.449
184 HD23 LEU 26 2HD2 LEU 26 -0.053 13.959 -13.353
185 H CYS 27 H CYS 27 -1.507 8.506 -10.686
186 HA CYS 27 HA CYS 27 -1.780 6.239 -12.383
187 HB2 CYS 27 1HB CYS 27 -2.035 5.043 -10.101
188 HB3 CYS 27 2HB CYS 27 -0.506 5.834 -10.467
189 H CYS 28 H CYS 28 -3.962 7.960 -10.210
190 HA CYS 28 HA CYS 28 -6.184 6.352 -11.289
191 HB2 CYS 28 1HB CYS 28 -7.330 6.985 -9.064
192 HB3 CYS 28 2HB CYS 28 -6.107 5.720 -9.037
193 H GLN 29 H GLN 29 -4.887 9.474 -10.636
194 HA GLN 29 HA GLN 29 -5.575 11.583 -11.141
195 HB2 GLN 29 1HB GLN 29 -7.489 10.148 -12.990
196 HB3 GLN 29 2HB GLN 29 -7.072 11.856 -13.065
197 HG2 GLN 29 1HG GLN 29 -4.871 9.872 -13.215
198 HG3 GLN 29 2HG GLN 29 -5.919 10.067 -14.618
199 HE21 GLN 29 1HE2 GLN 29 -3.390 10.648 -15.031
200 HE22 GLN 29 2HE2 GLN 29 -3.119 12.352 -15.107
201 H GLN 30 H GLN 30 -6.658 10.534 -8.832
202 HA GLN 30 HA GLN 30 -9.493 10.861 -8.735
203 HB2 GLN 30 1HB GLN 30 -7.362 10.625 -6.620
204 HB3 GLN 30 2HB GLN 30 -9.051 10.892 -6.213
205 HG2 GLN 30 1HG GLN 30 -9.668 8.822 -7.317
206 HG3 GLN 30 2HG GLN 30 -7.992 8.562 -7.797
207 HE21 GLN 30 1HE2 GLN 30 -6.441 8.706 -5.844
208 HE22 GLN 30 2HE2 GLN 30 -6.921 7.799 -4.455
209 H SER 31 H SER 31 -10.451 12.438 -7.080
210 HA SER 31 HA SER 31 -9.374 15.104 -7.681
211 HB2 SER 31 1HB SER 31 -11.578 15.960 -7.423
212 HB3 SER 31 2HB SER 31 -11.752 14.470 -8.351
213 HG SER 31 HG SER 31 -13.096 14.998 -6.284
214 H CYS 32 H CYS 32 -8.099 13.672 -5.668
215 HA CYS 32 HA CYS 32 -8.742 15.344 -3.349
216 HB2 CYS 32 1HB CYS 32 -9.609 12.856 -3.252
217 HB3 CYS 32 2HB CYS 32 -7.927 12.505 -2.871
218 H LYS 33 H LYS 33 -6.912 15.077 -1.650
219 HA LYS 33 HA LYS 33 -4.370 15.280 -3.108
220 HB2 LYS 33 1HB LYS 33 -5.084 17.285 -1.869
221 HB3 LYS 33 2HB LYS 33 -5.129 16.349 -0.382
222 HG2 LYS 33 1HG LYS 33 -3.095 17.393 -0.209
223 HG3 LYS 33 2HG LYS 33 -2.634 15.854 -0.941
224 HD2 LYS 33 1HD LYS 33 -1.496 17.355 -2.271
225 HD3 LYS 33 2HD LYS 33 -2.991 17.146 -3.185
226 HE2 LYS 33 1HE LYS 33 -2.641 19.462 -3.142
227 HE3 LYS 33 2HE LYS 33 -3.856 19.174 -1.899
228 HZ1 LYS 33 3HZ LYS 33 -2.498 20.349 -0.599
229 HZ2 LYS 33 1HZ LYS 33 -1.177 20.186 -1.644
230 HZ3 LYS 33 2HZ LYS 33 -1.534 18.960 -0.534
231 H ALA 34 H ALA 34 -5.718 14.039 -0.057
232 HA ALA 34 HA ALA 34 -3.457 12.154 0.079
233 HB1 ALA 34 3HB ALA 34 -5.042 13.547 2.185
234 HB2 ALA 34 1HB ALA 34 -4.330 11.973 2.543
235 HB3 ALA 34 2HB ALA 34 -3.298 13.317 2.052
236 H ALA 35 H ALA 35 -5.593 11.581 -1.619
237 HA ALA 35 HA ALA 35 -7.601 9.991 -0.423
238 HB1 ALA 35 3HB ALA 35 -7.342 8.994 -2.967
239 HB2 ALA 35 1HB ALA 35 -8.342 10.368 -2.495
240 HB3 ALA 35 2HB ALA 35 -6.715 10.635 -3.123
241 HA PRO 36 HA PRO 36 -5.737 6.083 0.282
242 HB2 PRO 36 1HB PRO 36 -7.532 4.322 -0.742
243 HB3 PRO 36 2HB PRO 36 -7.825 5.243 0.738
244 HG2 PRO 36 1HG PRO 36 -8.791 5.773 -2.045
245 HG3 PRO 36 2HG PRO 36 -9.677 5.887 -0.513
246 HD2 PRO 36 1HD PRO 36 -8.675 8.060 -1.781
247 HD3 PRO 36 2HD PRO 36 -8.797 7.958 -0.012
248 H GLY 37 H GLY 37 -4.620 4.306 -0.651
249 HA2 GLY 37 1HA GLY 37 -3.424 4.818 -3.143
250 HA3 GLY 37 2HA GLY 37 -3.311 3.309 -2.250
251 H CYS 38 H CYS 38 -4.877 5.009 -4.821
252 HA CYS 38 HA CYS 38 -7.086 3.688 -5.508
253 HB2 CYS 38 1HB CYS 38 -6.383 3.841 -7.903
254 HB3 CYS 38 2HB CYS 38 -6.147 5.331 -6.997
255 H THR 39 H THR 39 -3.850 2.326 -5.634
256 HA THR 39 HA THR 39 -4.619 -0.098 -6.936
257 HB THR 39 HB THR 39 -2.160 0.393 -5.246
258 HG1 THR 39 HG1 THR 39 -1.189 1.030 -7.180
259 HG21 THR 39 3HG2 THR 39 -2.901 -1.688 -7.290
260 HG22 THR 39 1HG2 THR 39 -2.366 -1.930 -5.628
261 HG23 THR 39 2HG2 THR 39 -1.227 -1.355 -6.845
262 H LEU 40 H LEU 40 -6.513 -0.471 -5.490
263 HA LEU 40 HA LEU 40 -5.778 -1.674 -2.917
264 HB2 LEU 40 1HB LEU 40 -7.499 -0.082 -2.656
265 HB3 LEU 40 2HB LEU 40 -8.379 -0.695 -4.055
266 HG LEU 40 HG LEU 40 -8.699 -2.834 -2.673
267 HD11 LEU 40 1HD1 LEU 40 -7.215 -2.606 -0.892
268 HD12 LEU 40 2HD1 LEU 40 -8.784 -2.231 -0.180
269 HD13 LEU 40 3HD1 LEU 40 -7.672 -0.927 -0.600
270 HD21 LEU 40 3HD2 LEU 40 -10.734 -2.045 -1.859
271 HD22 LEU 40 1HD2 LEU 40 -10.369 -0.948 -3.190
272 HD23 LEU 40 2HD2 LEU 40 -10.089 -0.437 -1.526
273 H TRP 41 H TRP 41 -6.644 -3.736 -2.323
274 HA TRP 41 HA TRP 41 -6.836 -5.539 -4.613
275 HB2 TRP 41 1HB TRP 41 -6.664 -6.348 -1.714
276 HB3 TRP 41 2HB TRP 41 -6.243 -7.297 -3.137
277 HD1 TRP 41 HD1 TRP 41 -4.492 -5.899 -0.443
278 HE1 TRP 41 HE1 TRP 41 -2.125 -5.097 -1.060
279 HE3 TRP 41 HE3 TRP 41 -4.997 -5.713 -5.527
280 HZ2 TRP 41 HZ2 TRP 41 -0.666 -4.467 -3.393
281 HZ3 TRP 41 HZ3 TRP 41 -3.068 -5.000 -6.879
282 HH2 TRP 41 HH2 TRP 41 -0.949 -4.391 -5.832
283 H GLU 42 H GLU 42 -9.096 -4.058 -4.392
284 HA GLU 42 HA GLU 42 -11.098 -5.259 -2.765
285 HB2 GLU 42 1HB GLU 42 -12.679 -3.918 -4.067
286 HB3 GLU 42 2HB GLU 42 -11.300 -2.954 -3.561
287 HG2 GLU 42 1HG GLU 42 -10.351 -3.028 -5.747
288 HG3 GLU 42 2HG GLU 42 -11.551 -4.201 -6.284
289 H ALA 43 H ALA 43 -12.649 -6.763 -3.260
290 HA ALA 43 HA ALA 43 -12.144 -8.349 -5.682
291 HB1 ALA 43 3HB ALA 43 -13.867 -9.375 -3.488
292 HB2 ALA 43 1HB ALA 43 -12.741 -10.232 -4.541
293 HB3 ALA 43 2HB ALA 43 -12.131 -9.261 -3.201
294 H TYR 44 H TYR 44 -13.566 -6.026 -6.089
295 HA TYR 44 HA TYR 44 -15.434 -5.277 -7.150
296 HB2 TYR 44 1HB TYR 44 -15.252 -7.501 -8.322
297 HB3 TYR 44 2HB TYR 44 -16.393 -8.142 -7.144
298 HD1 TYR 44 HD1 TYR 44 -16.289 -4.934 -9.062
299 HD2 TYR 44 HD2 TYR 44 -18.423 -8.507 -8.179
300 HE1 TYR 44 HE1 TYR 44 -18.159 -4.154 -10.456
301 HE2 TYR 44 HE2 TYR 44 -20.299 -7.738 -9.572
302 HH TYR 44 HH TYR 44 -21.085 -5.119 -10.313
303 H SER 45 H SER 45 -15.347 -5.086 -4.394
304 HA SER 45 HA SER 45 -18.134 -5.623 -3.600
305 HB2 SER 45 1HB SER 45 -15.571 -5.594 -2.046
306 HB3 SER 45 2HB SER 45 -17.084 -5.209 -1.225
307 HG SER 45 HG SER 45 -17.055 -7.475 -2.842
308 H GLY 46 H GLY 46 -17.576 -3.407 -5.182
309 HA2 GLY 46 1HA GLY 46 -18.331 -1.272 -3.331
310 HA3 GLY 46 2HA GLY 46 -16.917 -0.998 -4.339
311 HA PRO 47 HA PRO 47 -21.078 -0.050 -6.522
312 HB2 PRO 47 1HB PRO 47 -21.229 2.625 -6.086
313 HB3 PRO 47 2HB PRO 47 -21.977 1.434 -5.016
314 HG2 PRO 47 1HG PRO 47 -19.382 2.893 -4.705
315 HG3 PRO 47 2HG PRO 47 -20.630 2.559 -3.491
316 HD2 PRO 47 1HD PRO 47 -18.355 1.102 -3.683
317 HD3 PRO 47 2HD PRO 47 -19.897 0.400 -3.149
318 H SER 48 H SER 48 -21.300 1.948 -8.153
319 HA SER 48 HA SER 48 -18.797 1.950 -9.671
320 HB2 SER 48 1HB SER 48 -20.732 1.164 -10.898
321 HB3 SER 48 2HB SER 48 -21.634 2.621 -10.486
322 HG SER 48 HG SER 48 -20.309 2.320 -12.627
323 H SER 49 H SER 49 -18.162 3.928 -10.808
324 HA SER 49 HA SER 49 -19.172 6.455 -9.885
325 HB2 SER 49 1HB SER 49 -17.193 7.223 -8.744
326 HB3 SER 49 2HB SER 49 -17.695 5.706 -7.997
327 HG SER 49 HG SER 49 -15.773 5.015 -8.444
328 H GLY 50 H GLY 50 -17.633 8.276 -10.704
329 HA2 GLY 50 1HA GLY 50 -17.556 8.280 -13.435
330 HA3 GLY 50 2HA GLY 50 -16.489 9.265 -12.443
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -18.125 1.477 28.011
2 HA2 GLY 1 1HA GLY 1 -16.637 3.371 27.415
3 HA3 GLY 1 2HA GLY 1 -15.718 2.970 28.858
4 H SER 2 H SER 2 -13.965 2.974 27.185
5 HA SER 2 HA SER 2 -13.785 0.324 25.904
6 HB2 SER 2 1HB SER 2 -13.902 2.158 24.255
7 HB3 SER 2 2HB SER 2 -12.488 2.906 24.995
8 HG SER 2 HG SER 2 -11.276 1.099 24.396
9 H SER 3 H SER 3 -11.894 2.943 27.383
10 HA SER 3 HA SER 3 -9.946 2.947 28.560
11 HB2 SER 3 1HB SER 3 -10.977 0.184 29.197
12 HB3 SER 3 2HB SER 3 -9.499 0.825 29.914
13 HG SER 3 HG SER 3 -11.970 1.223 30.718
14 H GLY 4 H GLY 4 -9.656 2.506 25.837
15 HA2 GLY 4 1HA GLY 4 -7.737 2.120 24.550
16 HA3 GLY 4 2HA GLY 4 -7.112 1.090 25.828
17 H SER 5 H SER 5 -6.696 0.071 23.482
18 HA SER 5 HA SER 5 -8.356 -2.271 23.422
19 HB2 SER 5 1HB SER 5 -9.186 -2.072 21.175
20 HB3 SER 5 2HB SER 5 -9.647 -0.606 22.041
21 HG SER 5 HG SER 5 -8.500 0.507 20.687
22 H SER 6 H SER 6 -7.569 -3.865 21.814
23 HA SER 6 HA SER 6 -4.922 -4.428 22.025
24 HB2 SER 6 1HB SER 6 -6.851 -5.815 20.971
25 HB3 SER 6 2HB SER 6 -6.341 -5.077 19.454
26 HG SER 6 HG SER 6 -4.820 -6.511 19.409
27 H GLY 7 H GLY 7 -3.046 -4.082 20.847
28 HA2 GLY 7 1HA GLY 7 -3.158 -1.754 19.039
29 HA3 GLY 7 2HA GLY 7 -1.769 -2.198 20.022
30 H ASN 8 H ASN 8 -3.651 -3.025 17.173
31 HA ASN 8 HA ASN 8 -1.503 -4.815 16.279
32 HB2 ASN 8 1HB ASN 8 -4.413 -4.607 15.695
33 HB3 ASN 8 2HB ASN 8 -3.367 -5.170 14.394
34 HD21 ASN 8 1HD2 ASN 8 -3.980 -7.261 14.339
35 HD22 ASN 8 2HD2 ASN 8 -3.760 -8.372 15.642
36 HA PRO 9 HA PRO 9 -0.022 -1.945 13.302
37 HB2 PRO 9 1HB PRO 9 0.830 -3.634 11.355
38 HB3 PRO 9 2HB PRO 9 1.675 -3.438 12.895
39 HG2 PRO 9 1HG PRO 9 -0.237 -5.578 12.041
40 HG3 PRO 9 2HG PRO 9 1.289 -5.732 12.931
41 HD2 PRO 9 1HD PRO 9 -1.125 -5.799 14.155
42 HD3 PRO 9 2HD PRO 9 0.323 -5.135 14.938
43 H HIS 10 H HIS 10 -0.744 -0.792 11.578
44 HA HIS 10 HA HIS 10 -3.323 -1.389 10.521
45 HB2 HIS 10 1HB HIS 10 -2.920 0.646 9.111
46 HB3 HIS 10 2HB HIS 10 -2.725 0.914 10.840
47 HD2 HIS 10 HD2 HIS 10 -1.117 3.137 9.680
48 HE1 HIS 10 HE1 HIS 10 2.244 0.588 9.233
49 HE2 HIS 10 HE2 HIS 10 1.445 2.972 9.360
50 H LEU 11 H LEU 11 -3.210 -3.330 9.404
51 HA LEU 11 HA LEU 11 -1.308 -3.653 7.246
52 HB2 LEU 11 1HB LEU 11 -1.850 -5.584 8.574
53 HB3 LEU 11 2HB LEU 11 -3.567 -5.381 8.238
54 HG LEU 11 HG LEU 11 -3.011 -5.830 5.810
55 HD11 LEU 11 1HD1 LEU 11 -0.817 -7.362 5.849
56 HD12 LEU 11 2HD1 LEU 11 -0.351 -6.157 7.049
57 HD13 LEU 11 3HD1 LEU 11 -0.793 -5.652 5.418
58 HD21 LEU 11 3HD2 LEU 11 -2.335 -8.367 6.687
59 HD22 LEU 11 1HD2 LEU 11 -3.966 -7.730 6.471
60 HD23 LEU 11 2HD2 LEU 11 -3.193 -7.656 8.054
61 H LEU 12 H LEU 12 -4.841 -3.406 7.574
62 HA LEU 12 HA LEU 12 -5.403 -3.464 4.813
63 HB2 LEU 12 1HB LEU 12 -6.936 -3.675 6.942
64 HB3 LEU 12 2HB LEU 12 -7.134 -1.941 6.699
65 HG LEU 12 HG LEU 12 -7.725 -3.981 4.563
66 HD11 LEU 12 1HD1 LEU 12 -9.973 -4.021 5.195
67 HD12 LEU 12 2HD1 LEU 12 -9.791 -2.639 6.275
68 HD13 LEU 12 3HD1 LEU 12 -9.095 -4.199 6.714
69 HD21 LEU 12 3HD2 LEU 12 -7.992 -2.193 3.278
70 HD22 LEU 12 1HD2 LEU 12 -7.588 -1.132 4.629
71 HD23 LEU 12 2HD2 LEU 12 -9.263 -1.619 4.361
72 H VAL 13 H VAL 13 -4.115 -2.066 3.657
73 HA VAL 13 HA VAL 13 -4.984 0.664 3.562
74 HB VAL 13 HB VAL 13 -3.373 0.840 5.398
75 HG11 VAL 13 1HG1 VAL 13 -0.963 0.407 3.862
76 HG12 VAL 13 2HG1 VAL 13 -1.425 -0.236 5.439
77 HG13 VAL 13 3HG1 VAL 13 -1.936 -1.060 3.967
78 HG21 VAL 13 3HG2 VAL 13 -1.821 2.112 3.253
79 HG22 VAL 13 1HG2 VAL 13 -3.551 2.455 3.227
80 HG23 VAL 13 2HG2 VAL 13 -2.601 2.823 4.666
81 H LYS 14 H LYS 14 -4.539 1.620 1.613
82 HA LYS 14 HA LYS 14 -3.087 -0.051 -0.331
83 HB2 LYS 14 1HB LYS 14 -5.355 1.901 -0.759
84 HB3 LYS 14 2HB LYS 14 -4.483 1.095 -2.056
85 HG2 LYS 14 1HG LYS 14 -6.379 -0.203 -1.814
86 HG3 LYS 14 2HG LYS 14 -5.177 -1.085 -0.869
87 HD2 LYS 14 1HD LYS 14 -6.052 -0.241 1.179
88 HD3 LYS 14 2HD LYS 14 -7.084 0.914 0.333
89 HE2 LYS 14 1HE LYS 14 -7.379 -2.024 -0.155
90 HE3 LYS 14 2HE LYS 14 -8.112 -1.280 1.264
91 HZ1 LYS 14 3HZ LYS 14 -9.781 -1.153 -0.298
92 HZ2 LYS 14 1HZ LYS 14 -8.724 -0.837 -1.582
93 HZ3 LYS 14 2HZ LYS 14 -9.064 0.372 -0.449
94 H TYR 15 H TYR 15 -2.162 1.236 -2.196
95 HA TYR 15 HA TYR 15 -1.194 3.875 -1.355
96 HB2 TYR 15 1HB TYR 15 1.079 3.355 -1.826
97 HB3 TYR 15 2HB TYR 15 0.481 2.057 -0.798
98 HD1 TYR 15 HD2 TYR 15 -0.003 -0.168 -1.778
99 HD2 TYR 15 HD1 TYR 15 1.801 2.934 -4.063
100 HE1 TYR 15 HE2 TYR 15 0.717 -1.825 -3.446
101 HE2 TYR 15 HE1 TYR 15 2.527 1.286 -5.739
102 HH TYR 15 HH TYR 15 2.984 -1.127 -5.870
103 H HIS 16 H HIS 16 -0.135 5.061 -3.169
104 HA HIS 16 HA HIS 16 -1.571 4.499 -5.670
105 HB2 HIS 16 1HB HIS 16 -0.441 7.045 -4.511
106 HB3 HIS 16 2HB HIS 16 -0.981 6.925 -6.183
107 HD2 HIS 16 HD2 HIS 16 -2.441 7.360 -2.644
108 HE1 HIS 16 HE1 HIS 16 -5.696 7.081 -5.349
109 HE2 HIS 16 HE2 HIS 16 -4.981 7.683 -3.011
110 H SER 17 H SER 17 -0.418 3.537 -7.195
111 HA SER 17 HA SER 17 2.477 3.659 -7.170
112 HB2 SER 17 1HB SER 17 1.187 1.544 -7.642
113 HB3 SER 17 2HB SER 17 0.695 2.262 -9.176
114 HG SER 17 HG SER 17 3.415 2.268 -8.584
115 H GLY 18 H GLY 18 1.383 6.161 -7.639
116 HA2 GLY 18 1HA GLY 18 2.498 6.714 -10.273
117 HA3 GLY 18 2HA GLY 18 0.814 7.160 -10.040
118 H PHE 19 H PHE 19 2.334 9.181 -10.708
119 HA PHE 19 HA PHE 19 3.403 10.483 -8.336
120 HB2 PHE 19 1HB PHE 19 3.274 11.414 -11.212
121 HB3 PHE 19 2HB PHE 19 4.090 12.266 -9.906
122 HD1 PHE 19 HD2 PHE 19 5.681 10.495 -8.507
123 HD2 PHE 19 HD1 PHE 19 4.694 10.347 -12.644
124 HE1 PHE 19 HE2 PHE 19 7.730 9.207 -8.946
125 HE2 PHE 19 HE1 PHE 19 6.741 9.057 -13.090
126 HZ PHE 19 HZ PHE 19 8.263 8.487 -11.240
127 H PHE 20 H PHE 20 2.864 12.994 -8.349
128 HA PHE 20 HA PHE 20 -0.011 13.390 -8.751
129 HB2 PHE 20 1HB PHE 20 0.238 12.702 -6.419
130 HB3 PHE 20 2HB PHE 20 1.456 13.947 -6.164
131 HD1 PHE 20 HD2 PHE 20 0.788 16.351 -6.290
132 HD2 PHE 20 HD1 PHE 20 -2.057 13.185 -6.261
133 HE1 PHE 20 HE2 PHE 20 -0.973 17.945 -5.647
134 HE2 PHE 20 HE1 PHE 20 -3.823 14.774 -5.619
135 HZ PHE 20 HZ PHE 20 -3.282 17.157 -5.311
136 H VAL 21 H VAL 21 -0.128 15.064 -10.090
137 HA VAL 21 HA VAL 21 1.342 17.504 -9.423
138 HB VAL 21 HB VAL 21 2.154 17.875 -11.621
139 HG11 VAL 21 1HG1 VAL 21 3.719 16.083 -11.923
140 HG12 VAL 21 2HG1 VAL 21 3.453 16.303 -10.192
141 HG13 VAL 21 3HG1 VAL 21 2.679 14.964 -11.041
142 HG21 VAL 21 3HG2 VAL 21 0.527 17.202 -13.109
143 HG22 VAL 21 1HG2 VAL 21 1.753 15.956 -13.348
144 HG23 VAL 21 2HG2 VAL 21 0.337 15.620 -12.351
145 H ASP 22 H ASP 22 0.402 19.425 -10.242
146 HA ASP 22 HA ASP 22 -1.320 20.810 -10.776
147 HB2 ASP 22 1HB ASP 22 -1.789 18.482 -12.594
148 HB3 ASP 22 2HB ASP 22 -3.019 19.739 -12.484
149 H GLY 23 H GLY 23 -1.530 19.228 -8.418
150 HA2 GLY 23 1HA GLY 23 -3.063 18.745 -6.780
151 HA3 GLY 23 2HA GLY 23 -4.201 19.711 -7.707
152 H LYS 24 H LYS 24 -2.567 16.639 -8.443
153 HA LYS 24 HA LYS 24 -4.820 15.001 -8.032
154 HB2 LYS 24 1HB LYS 24 -5.358 14.506 -10.418
155 HB3 LYS 24 2HB LYS 24 -5.818 16.125 -9.908
156 HG2 LYS 24 1HG LYS 24 -4.188 17.137 -11.179
157 HG3 LYS 24 2HG LYS 24 -3.176 15.692 -11.223
158 HD2 LYS 24 1HD LYS 24 -5.862 15.565 -12.494
159 HD3 LYS 24 2HD LYS 24 -4.592 16.468 -13.322
160 HE2 LYS 24 1HE LYS 24 -4.213 13.652 -12.335
161 HE3 LYS 24 2HE LYS 24 -4.835 14.020 -13.942
162 HZ1 LYS 24 3HZ LYS 24 -2.713 15.488 -14.071
163 HZ2 LYS 24 1HZ LYS 24 -2.602 13.821 -14.340
164 HZ3 LYS 24 2HZ LYS 24 -2.147 14.469 -12.846
165 H PHE 25 H PHE 25 -4.479 12.789 -8.785
166 HA PHE 25 HA PHE 25 -1.645 12.144 -8.788
167 HB2 PHE 25 1HB PHE 25 -4.170 10.628 -8.286
168 HB3 PHE 25 2HB PHE 25 -2.732 9.732 -8.763
169 HD1 PHE 25 HD1 PHE 25 -0.578 10.232 -7.396
170 HD2 PHE 25 HD2 PHE 25 -4.523 11.108 -6.059
171 HE1 PHE 25 HE1 PHE 25 0.223 10.275 -5.070
172 HE2 PHE 25 HE2 PHE 25 -3.728 11.153 -3.731
173 HZ PHE 25 HZ PHE 25 -1.352 10.737 -3.234
174 H LEU 26 H LEU 26 -0.818 10.452 -10.251
175 HA LEU 26 HA LEU 26 -1.912 10.826 -12.953
176 HB2 LEU 26 1HB LEU 26 0.836 10.270 -11.906
177 HB3 LEU 26 2HB LEU 26 0.420 9.885 -13.575
178 HG LEU 26 HG LEU 26 -0.176 12.281 -13.912
179 HD11 LEU 26 1HD1 LEU 26 1.075 13.721 -12.060
180 HD12 LEU 26 2HD1 LEU 26 0.574 12.368 -11.047
181 HD13 LEU 26 3HD1 LEU 26 -0.633 13.298 -11.936
182 HD21 LEU 26 3HD2 LEU 26 2.478 11.159 -13.464
183 HD22 LEU 26 1HD2 LEU 26 2.429 12.917 -13.324
184 HD23 LEU 26 2HD2 LEU 26 1.868 12.134 -14.802
185 H CYS 27 H CYS 27 -2.069 8.661 -10.531
186 HA CYS 27 HA CYS 27 -1.841 6.284 -12.225
187 HB2 CYS 27 1HB CYS 27 -2.342 5.124 -9.966
188 HB3 CYS 27 2HB CYS 27 -0.766 5.873 -10.192
189 H CYS 28 H CYS 28 -4.168 7.948 -10.128
190 HA CYS 28 HA CYS 28 -6.327 6.560 -11.574
191 HB2 CYS 28 1HB CYS 28 -7.644 6.775 -9.403
192 HB3 CYS 28 2HB CYS 28 -6.353 5.579 -9.419
193 H GLN 29 H GLN 29 -4.965 9.258 -11.799
194 HA GLN 29 HA GLN 29 -5.499 11.487 -11.961
195 HB2 GLN 29 1HB GLN 29 -8.116 10.413 -13.002
196 HB3 GLN 29 2HB GLN 29 -7.289 11.890 -13.480
197 HG2 GLN 29 1HG GLN 29 -6.763 9.078 -14.263
198 HG3 GLN 29 2HG GLN 29 -6.778 10.544 -15.242
199 HE21 GLN 29 1HE2 GLN 29 -5.041 12.133 -13.828
200 HE22 GLN 29 2HE2 GLN 29 -3.454 11.452 -13.892
201 H GLN 30 H GLN 30 -6.044 10.502 -9.370
202 HA GLN 30 HA GLN 30 -8.640 11.283 -8.498
203 HB2 GLN 30 1HB GLN 30 -6.101 10.453 -7.193
204 HB3 GLN 30 2HB GLN 30 -7.259 11.341 -6.212
205 HG2 GLN 30 1HG GLN 30 -8.058 8.923 -7.792
206 HG3 GLN 30 2HG GLN 30 -7.365 8.795 -6.176
207 HE21 GLN 30 1HE2 GLN 30 -9.645 7.729 -6.147
208 HE22 GLN 30 2HE2 GLN 30 -10.912 8.747 -5.563
209 H SER 31 H SER 31 -9.150 13.065 -7.092
210 HA SER 31 HA SER 31 -7.448 15.421 -7.589
211 HB2 SER 31 1HB SER 31 -9.521 16.772 -7.478
212 HB3 SER 31 2HB SER 31 -9.571 15.587 -8.783
213 HG SER 31 HG SER 31 -11.485 15.341 -7.787
214 H CYS 32 H CYS 32 -6.862 13.859 -5.424
215 HA CYS 32 HA CYS 32 -7.353 15.708 -3.254
216 HB2 CYS 32 1HB CYS 32 -8.561 12.992 -3.360
217 HB3 CYS 32 2HB CYS 32 -7.890 13.514 -1.820
218 H LYS 33 H LYS 33 -5.927 15.395 -1.459
219 HA LYS 33 HA LYS 33 -3.396 14.246 -2.262
220 HB2 LYS 33 1HB LYS 33 -4.336 16.064 -0.104
221 HB3 LYS 33 2HB LYS 33 -2.876 15.133 0.205
222 HG2 LYS 33 1HG LYS 33 -1.735 16.131 -1.597
223 HG3 LYS 33 2HG LYS 33 -3.224 16.803 -2.267
224 HD2 LYS 33 1HD LYS 33 -3.351 18.464 -0.650
225 HD3 LYS 33 2HD LYS 33 -2.318 17.582 0.478
226 HE2 LYS 33 1HE LYS 33 -0.374 18.172 -0.648
227 HE3 LYS 33 2HE LYS 33 -1.234 18.530 -2.146
228 HZ1 LYS 33 3HZ LYS 33 -0.367 20.440 -0.619
229 HZ2 LYS 33 1HZ LYS 33 -1.803 20.155 0.229
230 HZ3 LYS 33 2HZ LYS 33 -1.858 20.584 -1.406
231 H ALA 34 H ALA 34 -5.773 13.763 0.327
232 HA ALA 34 HA ALA 34 -4.335 11.394 1.246
233 HB1 ALA 34 3HB ALA 34 -5.033 12.664 3.065
234 HB2 ALA 34 1HB ALA 34 -6.607 13.006 2.347
235 HB3 ALA 34 2HB ALA 34 -6.252 11.394 2.968
236 H ALA 35 H ALA 35 -5.474 11.252 -1.350
237 HA ALA 35 HA ALA 35 -7.989 9.920 -1.302
238 HB1 ALA 35 3HB ALA 35 -6.630 9.151 -3.632
239 HB2 ALA 35 1HB ALA 35 -7.828 10.434 -3.455
240 HB3 ALA 35 2HB ALA 35 -6.111 10.800 -3.283
241 HA PRO 36 HA PRO 36 -6.845 5.822 -0.205
242 HB2 PRO 36 1HB PRO 36 -8.708 4.408 -1.583
243 HB3 PRO 36 2HB PRO 36 -9.093 5.354 -0.141
244 HG2 PRO 36 1HG PRO 36 -9.457 6.066 -3.026
245 HG3 PRO 36 2HG PRO 36 -10.563 6.318 -1.664
246 HD2 PRO 36 1HD PRO 36 -9.003 8.294 -2.660
247 HD3 PRO 36 2HD PRO 36 -9.445 8.201 -0.943
248 H GLY 37 H GLY 37 -5.331 4.429 -0.887
249 HA2 GLY 37 1HA GLY 37 -3.982 4.620 -3.275
250 HA3 GLY 37 2HA GLY 37 -3.999 3.172 -2.279
251 H CYS 38 H CYS 38 -4.745 4.426 -5.273
252 HA CYS 38 HA CYS 38 -7.053 2.941 -5.959
253 HB2 CYS 38 1HB CYS 38 -6.409 3.426 -8.296
254 HB3 CYS 38 2HB CYS 38 -6.349 4.862 -7.280
255 H THR 39 H THR 39 -3.790 2.046 -5.511
256 HA THR 39 HA THR 39 -3.685 -0.173 -7.287
257 HB THR 39 HB THR 39 -2.071 0.348 -4.783
258 HG1 THR 39 HG1 THR 39 -0.500 0.937 -6.538
259 HG21 THR 39 3HG2 THR 39 -0.897 -1.520 -5.184
260 HG22 THR 39 1HG2 THR 39 -0.850 -1.219 -6.920
261 HG23 THR 39 2HG2 THR 39 -2.254 -2.007 -6.199
262 H LEU 40 H LEU 40 -5.002 -1.865 -7.128
263 HA LEU 40 HA LEU 40 -5.364 -3.105 -4.491
264 HB2 LEU 40 1HB LEU 40 -7.444 -2.170 -6.387
265 HB3 LEU 40 2HB LEU 40 -7.728 -3.703 -5.566
266 HG LEU 40 HG LEU 40 -7.226 -1.062 -4.194
267 HD11 LEU 40 1HD1 LEU 40 -9.613 -2.228 -5.324
268 HD12 LEU 40 2HD1 LEU 40 -9.359 -0.627 -4.630
269 HD13 LEU 40 3HD1 LEU 40 -9.773 -1.986 -3.585
270 HD21 LEU 40 3HD2 LEU 40 -8.470 -3.201 -2.672
271 HD22 LEU 40 1HD2 LEU 40 -7.100 -2.167 -2.263
272 HD23 LEU 40 2HD2 LEU 40 -6.849 -3.621 -3.229
273 H TRP 41 H TRP 41 -4.965 -5.223 -4.482
274 HA TRP 41 HA TRP 41 -4.230 -7.248 -5.247
275 HB2 TRP 41 1HB TRP 41 -6.399 -7.047 -7.321
276 HB3 TRP 41 2HB TRP 41 -5.846 -8.467 -6.439
277 HD1 TRP 41 HD1 TRP 41 -8.488 -5.862 -6.395
278 HE1 TRP 41 HE1 TRP 41 -9.880 -6.036 -4.237
279 HE3 TRP 41 HE3 TRP 41 -5.481 -9.035 -3.743
280 HZ2 TRP 41 HZ2 TRP 41 -9.724 -7.345 -1.741
281 HZ3 TRP 41 HZ3 TRP 41 -6.174 -9.698 -1.477
282 HH2 TRP 41 HH2 TRP 41 -8.251 -8.869 -0.498
283 H GLU 42 H GLU 42 -2.578 -5.396 -6.232
284 HA GLU 42 HA GLU 42 -2.255 -6.082 -9.078
285 HB2 GLU 42 1HB GLU 42 -1.295 -3.669 -7.534
286 HB3 GLU 42 2HB GLU 42 -0.820 -4.027 -9.188
287 HG2 GLU 42 1HG GLU 42 -3.703 -3.779 -8.419
288 HG3 GLU 42 2HG GLU 42 -2.724 -2.363 -8.798
289 H ALA 43 H ALA 43 -0.363 -6.953 -9.787
290 HA ALA 43 HA ALA 43 1.772 -7.364 -7.802
291 HB1 ALA 43 3HB ALA 43 2.103 -9.634 -8.640
292 HB2 ALA 43 1HB ALA 43 0.476 -9.422 -7.994
293 HB3 ALA 43 2HB ALA 43 0.739 -9.433 -9.738
294 H TYR 44 H TYR 44 3.883 -7.468 -8.610
295 HA TYR 44 HA TYR 44 4.186 -6.622 -11.417
296 HB2 TYR 44 1HB TYR 44 5.774 -5.733 -9.002
297 HB3 TYR 44 2HB TYR 44 6.196 -5.345 -10.666
298 HD1 TYR 44 HD1 TYR 44 3.780 -4.744 -7.959
299 HD2 TYR 44 HD2 TYR 44 4.986 -3.668 -11.895
300 HE1 TYR 44 HE1 TYR 44 2.323 -2.764 -7.858
301 HE2 TYR 44 HE2 TYR 44 3.534 -1.684 -11.804
302 HH TYR 44 HH TYR 44 2.153 -0.547 -8.932
303 H SER 45 H SER 45 4.966 -8.312 -12.498
304 HA SER 45 HA SER 45 7.442 -9.537 -11.574
305 HB2 SER 45 1HB SER 45 5.675 -10.997 -10.668
306 HB3 SER 45 2HB SER 45 5.003 -11.186 -12.288
307 HG SER 45 HG SER 45 6.459 -12.896 -11.550
308 H GLY 46 H GLY 46 8.745 -9.121 -13.239
309 HA2 GLY 46 1HA GLY 46 8.073 -10.180 -15.852
310 HA3 GLY 46 2HA GLY 46 8.228 -8.430 -15.788
311 HA PRO 47 HA PRO 47 12.558 -10.446 -14.843
312 HB2 PRO 47 1HB PRO 47 12.852 -12.957 -15.831
313 HB3 PRO 47 2HB PRO 47 12.304 -12.632 -14.183
314 HG2 PRO 47 1HG PRO 47 10.696 -13.317 -16.613
315 HG3 PRO 47 2HG PRO 47 10.527 -13.919 -14.955
316 HD2 PRO 47 1HD PRO 47 8.931 -11.983 -15.972
317 HD3 PRO 47 2HD PRO 47 9.384 -12.043 -14.257
318 H SER 48 H SER 48 10.683 -10.189 -17.573
319 HA SER 48 HA SER 48 13.024 -9.708 -19.234
320 HB2 SER 48 1HB SER 48 12.430 -11.154 -20.994
321 HB3 SER 48 2HB SER 48 12.188 -12.130 -19.546
322 HG SER 48 HG SER 48 9.912 -11.117 -19.785
323 H SER 49 H SER 49 12.501 -8.529 -21.214
324 HA SER 49 HA SER 49 9.928 -7.497 -21.737
325 HB2 SER 49 1HB SER 49 10.401 -5.115 -21.051
326 HB3 SER 49 2HB SER 49 10.147 -6.232 -19.710
327 HG SER 49 HG SER 49 12.760 -5.884 -20.607
328 H GLY 50 H GLY 50 10.096 -5.504 -23.233
329 HA2 GLY 50 1HA GLY 50 12.517 -5.808 -24.901
330 HA3 GLY 50 2HA GLY 50 10.906 -5.626 -25.580
Start of MODEL 10
1 H1 GLY 1 H GLY 1 20.600 -13.111 20.654
2 HA2 GLY 1 1HA GLY 1 18.975 -11.992 19.346
3 HA3 GLY 1 2HA GLY 1 19.773 -13.047 18.189
4 H SER 2 H SER 2 16.891 -12.440 20.006
5 HA SER 2 HA SER 2 15.474 -14.381 18.337
6 HB2 SER 2 1HB SER 2 14.244 -15.301 20.211
7 HB3 SER 2 2HB SER 2 15.970 -15.475 20.528
8 HG SER 2 HG SER 2 15.867 -13.940 22.047
9 H SER 3 H SER 3 13.038 -14.095 18.610
10 HA SER 3 HA SER 3 12.204 -11.659 17.760
11 HB2 SER 3 1HB SER 3 10.848 -13.813 17.942
12 HB3 SER 3 2HB SER 3 10.488 -13.329 19.600
13 HG SER 3 HG SER 3 9.478 -11.493 18.814
14 H GLY 4 H GLY 4 12.494 -9.713 18.619
15 HA2 GLY 4 1HA GLY 4 12.130 -9.416 21.538
16 HA3 GLY 4 2HA GLY 4 13.285 -8.474 20.605
17 H SER 5 H SER 5 12.568 -6.756 19.339
18 HA SER 5 HA SER 5 10.344 -5.348 20.323
19 HB2 SER 5 1HB SER 5 12.264 -4.982 18.075
20 HB3 SER 5 2HB SER 5 10.772 -4.043 18.032
21 HG SER 5 HG SER 5 12.444 -2.942 19.137
22 H SER 6 H SER 6 8.321 -4.928 19.464
23 HA SER 6 HA SER 6 7.493 -6.311 17.040
24 HB2 SER 6 1HB SER 6 6.104 -6.787 19.688
25 HB3 SER 6 2HB SER 6 5.607 -7.429 18.123
26 HG SER 6 HG SER 6 6.988 -8.767 19.647
27 H GLY 7 H GLY 7 5.717 -5.397 16.037
28 HA2 GLY 7 1HA GLY 7 3.739 -3.805 16.967
29 HA3 GLY 7 2HA GLY 7 5.100 -2.697 16.864
30 H ASN 8 H ASN 8 3.401 -5.137 14.900
31 HA ASN 8 HA ASN 8 3.538 -3.273 12.636
32 HB2 ASN 8 1HB ASN 8 4.168 -5.014 11.104
33 HB3 ASN 8 2HB ASN 8 5.319 -5.032 12.437
34 HD21 ASN 8 1HD2 ASN 8 3.607 -6.949 10.468
35 HD22 ASN 8 2HD2 ASN 8 3.439 -8.350 11.466
36 HA PRO 9 HA PRO 9 -0.779 -4.757 13.301
37 HB2 PRO 9 1HB PRO 9 -1.915 -2.349 12.776
38 HB3 PRO 9 2HB PRO 9 -1.312 -2.798 14.376
39 HG2 PRO 9 1HG PRO 9 -0.008 -1.129 12.261
40 HG3 PRO 9 2HG PRO 9 -0.085 -0.857 14.011
41 HD2 PRO 9 1HD PRO 9 2.103 -1.887 12.791
42 HD3 PRO 9 2HD PRO 9 1.630 -2.335 14.442
43 H HIS 10 H HIS 10 0.622 -2.732 10.763
44 HA HIS 10 HA HIS 10 -1.002 -4.196 8.798
45 HB2 HIS 10 1HB HIS 10 -1.065 -2.042 7.456
46 HB3 HIS 10 2HB HIS 10 -2.066 -2.074 8.906
47 HD2 HIS 10 HD2 HIS 10 1.702 -0.922 8.405
48 HE1 HIS 10 HE1 HIS 10 -0.442 2.033 10.567
49 HE2 HIS 10 HE2 HIS 10 1.767 1.405 9.531
50 H LEU 11 H LEU 11 -0.084 -3.972 6.547
51 HA LEU 11 HA LEU 11 2.650 -3.256 6.217
52 HB2 LEU 11 1HB LEU 11 3.154 -5.232 7.413
53 HB3 LEU 11 2HB LEU 11 1.936 -6.157 6.539
54 HG LEU 11 HG LEU 11 3.415 -5.719 4.467
55 HD11 LEU 11 1HD1 LEU 11 5.170 -4.838 6.708
56 HD12 LEU 11 2HD1 LEU 11 4.999 -4.179 5.082
57 HD13 LEU 11 3HD1 LEU 11 5.883 -5.683 5.333
58 HD21 LEU 11 3HD2 LEU 11 3.216 -7.789 6.266
59 HD22 LEU 11 1HD2 LEU 11 4.955 -7.506 6.174
60 HD23 LEU 11 2HD2 LEU 11 4.038 -7.849 4.707
61 H LEU 12 H LEU 12 3.215 -3.129 4.079
62 HA LEU 12 HA LEU 12 2.841 -2.866 1.847
63 HB2 LEU 12 1HB LEU 12 1.956 -5.641 2.458
64 HB3 LEU 12 2HB LEU 12 1.645 -4.995 0.848
65 HG LEU 12 HG LEU 12 4.413 -4.822 1.932
66 HD11 LEU 12 1HD1 LEU 12 3.860 -7.092 2.471
67 HD12 LEU 12 2HD1 LEU 12 4.873 -7.087 1.028
68 HD13 LEU 12 3HD1 LEU 12 3.133 -7.340 0.883
69 HD21 LEU 12 3HD2 LEU 12 3.631 -3.854 -0.270
70 HD22 LEU 12 1HD2 LEU 12 3.429 -5.516 -0.825
71 HD23 LEU 12 2HD2 LEU 12 5.024 -4.933 -0.348
72 H VAL 13 H VAL 13 1.004 -1.482 3.297
73 HA VAL 13 HA VAL 13 -1.692 -2.073 2.603
74 HB VAL 13 HB VAL 13 -0.995 -0.644 4.543
75 HG11 VAL 13 1HG1 VAL 13 -0.088 1.431 4.314
76 HG12 VAL 13 2HG1 VAL 13 0.574 0.686 2.858
77 HG13 VAL 13 3HG1 VAL 13 -0.855 1.715 2.751
78 HG21 VAL 13 3HG2 VAL 13 -3.199 -0.293 4.395
79 HG22 VAL 13 1HG2 VAL 13 -2.775 1.248 3.651
80 HG23 VAL 13 2HG2 VAL 13 -3.148 -0.147 2.638
81 H LYS 14 H LYS 14 -3.005 -1.189 1.031
82 HA LYS 14 HA LYS 14 -2.092 -0.828 -1.501
83 HB2 LYS 14 1HB LYS 14 -4.483 0.568 -0.283
84 HB3 LYS 14 2HB LYS 14 -4.206 0.330 -2.004
85 HG2 LYS 14 1HG LYS 14 -4.461 -2.023 -1.804
86 HG3 LYS 14 2HG LYS 14 -4.451 -1.936 -0.042
87 HD2 LYS 14 1HD LYS 14 -6.570 -0.872 0.006
88 HD3 LYS 14 2HD LYS 14 -6.537 -0.576 -1.734
89 HE2 LYS 14 1HE LYS 14 -8.020 -2.408 -1.309
90 HE3 LYS 14 2HE LYS 14 -6.569 -3.040 -2.087
91 HZ1 LYS 14 3HZ LYS 14 -7.677 -3.739 0.409
92 HZ2 LYS 14 1HZ LYS 14 -6.122 -3.119 0.652
93 HZ3 LYS 14 2HZ LYS 14 -6.357 -4.429 -0.393
94 H TYR 15 H TYR 15 -1.047 0.692 -2.624
95 HA TYR 15 HA TYR 15 -0.896 3.410 -1.506
96 HB2 TYR 15 1HB TYR 15 1.416 3.540 -1.788
97 HB3 TYR 15 2HB TYR 15 1.191 1.906 -1.174
98 HD1 TYR 15 HD2 TYR 15 0.769 0.115 -3.147
99 HD2 TYR 15 HD1 TYR 15 2.873 3.790 -3.552
100 HE1 TYR 15 HE2 TYR 15 1.958 -0.788 -5.101
101 HE2 TYR 15 HE1 TYR 15 4.066 2.898 -5.508
102 HH TYR 15 HH TYR 15 3.707 -0.461 -6.505
103 H HIS 16 H HIS 16 0.210 4.889 -3.263
104 HA HIS 16 HA HIS 16 -1.420 4.589 -5.660
105 HB2 HIS 16 1HB HIS 16 0.173 6.887 -4.527
106 HB3 HIS 16 2HB HIS 16 -0.574 6.946 -6.120
107 HD2 HIS 16 HD2 HIS 16 -1.511 7.404 -2.424
108 HE1 HIS 16 HE1 HIS 16 -5.102 7.602 -4.676
109 HE2 HIS 16 HE2 HIS 16 -4.019 8.038 -2.444
110 H SER 17 H SER 17 -0.604 3.664 -7.409
111 HA SER 17 HA SER 17 2.258 3.333 -7.706
112 HB2 SER 17 1HB SER 17 1.739 1.837 -9.505
113 HB3 SER 17 2HB SER 17 0.579 1.515 -8.216
114 HG SER 17 HG SER 17 -0.908 2.852 -9.368
115 H GLY 18 H GLY 18 1.675 5.996 -7.806
116 HA2 GLY 18 1HA GLY 18 2.775 6.737 -10.327
117 HA3 GLY 18 2HA GLY 18 1.071 7.156 -10.244
118 H PHE 19 H PHE 19 2.758 9.185 -10.612
119 HA PHE 19 HA PHE 19 3.491 10.350 -8.056
120 HB2 PHE 19 1HB PHE 19 3.652 11.661 -10.770
121 HB3 PHE 19 2HB PHE 19 4.544 12.085 -9.313
122 HD1 PHE 19 HD2 PHE 19 6.445 10.770 -8.590
123 HD2 PHE 19 HD1 PHE 19 4.306 9.788 -12.135
124 HE1 PHE 19 HE2 PHE 19 8.294 9.309 -9.297
125 HE2 PHE 19 HE1 PHE 19 6.151 8.324 -12.848
126 HZ PHE 19 HZ PHE 19 8.149 8.084 -11.428
127 H PHE 20 H PHE 20 2.953 12.840 -7.944
128 HA PHE 20 HA PHE 20 0.131 13.259 -8.645
129 HB2 PHE 20 1HB PHE 20 0.072 12.564 -6.348
130 HB3 PHE 20 2HB PHE 20 1.391 13.652 -5.928
131 HD1 PHE 20 HD2 PHE 20 1.011 16.044 -5.715
132 HD2 PHE 20 HD1 PHE 20 -2.175 13.369 -6.616
133 HE1 PHE 20 HE2 PHE 20 -0.618 17.794 -5.134
134 HE2 PHE 20 HE1 PHE 20 -3.809 15.115 -6.039
135 HZ PHE 20 HZ PHE 20 -3.031 17.331 -5.295
136 H VAL 21 H VAL 21 0.289 14.874 -10.079
137 HA VAL 21 HA VAL 21 1.755 17.292 -9.250
138 HB VAL 21 HB VAL 21 2.608 17.673 -11.381
139 HG11 VAL 21 1HG1 VAL 21 4.125 16.049 -11.326
140 HG12 VAL 21 2HG1 VAL 21 3.101 15.209 -10.160
141 HG13 VAL 21 3HG1 VAL 21 2.950 14.858 -11.882
142 HG21 VAL 21 3HG2 VAL 21 0.601 15.661 -12.383
143 HG22 VAL 21 1HG2 VAL 21 0.647 17.394 -12.708
144 HG23 VAL 21 2HG2 VAL 21 1.889 16.338 -13.380
145 H ASP 22 H ASP 22 0.982 19.278 -10.368
146 HA ASP 22 HA ASP 22 -0.726 20.773 -10.623
147 HB2 ASP 22 1HB ASP 22 -0.584 19.371 -12.842
148 HB3 ASP 22 2HB ASP 22 -2.152 18.760 -12.321
149 H GLY 23 H GLY 23 -1.001 19.334 -8.281
150 HA2 GLY 23 1HA GLY 23 -2.526 18.754 -6.665
151 HA3 GLY 23 2HA GLY 23 -3.610 19.848 -7.513
152 H LYS 24 H LYS 24 -2.220 16.772 -8.603
153 HA LYS 24 HA LYS 24 -4.609 15.280 -8.199
154 HB2 LYS 24 1HB LYS 24 -5.263 14.969 -10.524
155 HB3 LYS 24 2HB LYS 24 -5.353 16.671 -10.089
156 HG2 LYS 24 1HG LYS 24 -3.538 17.240 -11.392
157 HG3 LYS 24 2HG LYS 24 -2.887 15.600 -11.386
158 HD2 LYS 24 1HD LYS 24 -4.927 14.931 -12.731
159 HD3 LYS 24 2HD LYS 24 -5.251 16.656 -12.923
160 HE2 LYS 24 1HE LYS 24 -2.783 16.752 -13.742
161 HE3 LYS 24 2HE LYS 24 -2.986 15.018 -13.991
162 HZ1 LYS 24 3HZ LYS 24 -4.559 15.347 -15.618
163 HZ2 LYS 24 1HZ LYS 24 -3.519 16.651 -15.901
164 HZ3 LYS 24 2HZ LYS 24 -4.975 16.895 -15.077
165 H PHE 25 H PHE 25 -4.370 13.075 -8.721
166 HA PHE 25 HA PHE 25 -1.613 12.216 -8.845
167 HB2 PHE 25 1HB PHE 25 -4.227 10.756 -8.481
168 HB3 PHE 25 2HB PHE 25 -2.692 9.910 -8.644
169 HD1 PHE 25 HD1 PHE 25 -0.821 10.598 -6.994
170 HD2 PHE 25 HD2 PHE 25 -4.951 11.432 -6.396
171 HE1 PHE 25 HE1 PHE 25 -0.413 10.870 -4.584
172 HE2 PHE 25 HE2 PHE 25 -4.550 11.707 -3.984
173 HZ PHE 25 HZ PHE 25 -2.279 11.426 -3.075
174 H LEU 26 H LEU 26 -0.994 10.386 -10.290
175 HA LEU 26 HA LEU 26 -2.150 10.782 -12.970
176 HB2 LEU 26 1HB LEU 26 0.656 10.070 -12.141
177 HB3 LEU 26 2HB LEU 26 0.081 10.032 -13.807
178 HG LEU 26 HG LEU 26 -0.529 12.550 -13.285
179 HD11 LEU 26 1HD1 LEU 26 1.242 13.552 -11.860
180 HD12 LEU 26 2HD1 LEU 26 1.687 11.927 -11.341
181 HD13 LEU 26 3HD1 LEU 26 0.086 12.563 -10.968
182 HD21 LEU 26 3HD2 LEU 26 2.199 11.461 -13.953
183 HD22 LEU 26 1HD2 LEU 26 1.757 13.161 -14.114
184 HD23 LEU 26 2HD2 LEU 26 0.921 11.937 -15.072
185 H CYS 27 H CYS 27 -1.801 8.592 -10.459
186 HA CYS 27 HA CYS 27 -1.789 6.222 -12.150
187 HB2 CYS 27 1HB CYS 27 -2.014 5.076 -9.844
188 HB3 CYS 27 2HB CYS 27 -0.494 5.879 -10.232
189 H CYS 28 H CYS 28 -3.967 8.026 -10.052
190 HA CYS 28 HA CYS 28 -6.184 6.345 -11.026
191 HB2 CYS 28 1HB CYS 28 -7.304 7.199 -8.819
192 HB3 CYS 28 2HB CYS 28 -6.185 5.841 -8.765
193 H GLN 29 H GLN 29 -4.883 9.496 -10.635
194 HA GLN 29 HA GLN 29 -5.577 11.563 -11.278
195 HB2 GLN 29 1HB GLN 29 -7.590 10.051 -12.950
196 HB3 GLN 29 2HB GLN 29 -7.065 11.712 -13.194
197 HG2 GLN 29 1HG GLN 29 -5.052 9.515 -13.235
198 HG3 GLN 29 2HG GLN 29 -6.080 9.787 -14.640
199 HE21 GLN 29 1HE2 GLN 29 -3.366 10.050 -14.825
200 HE22 GLN 29 2HE2 GLN 29 -2.953 11.710 -15.052
201 H GLN 30 H GLN 30 -6.647 10.590 -8.880
202 HA GLN 30 HA GLN 30 -9.472 11.096 -8.791
203 HB2 GLN 30 1HB GLN 30 -7.369 10.588 -6.702
204 HB3 GLN 30 2HB GLN 30 -9.007 11.047 -6.256
205 HG2 GLN 30 1HG GLN 30 -9.921 9.085 -7.162
206 HG3 GLN 30 2HG GLN 30 -8.442 8.709 -8.045
207 HE21 GLN 30 1HE2 GLN 30 -10.226 7.667 -5.614
208 HE22 GLN 30 2HE2 GLN 30 -9.016 7.030 -4.559
209 H SER 31 H SER 31 -10.211 12.674 -6.947
210 HA SER 31 HA SER 31 -8.899 15.258 -7.474
211 HB2 SER 31 1HB SER 31 -11.155 16.247 -6.931
212 HB3 SER 31 2HB SER 31 -11.116 15.265 -8.395
213 HG SER 31 HG SER 31 -12.450 14.850 -6.024
214 H CYS 32 H CYS 32 -7.671 13.966 -5.540
215 HA CYS 32 HA CYS 32 -8.270 15.542 -3.199
216 HB2 CYS 32 1HB CYS 32 -9.616 13.271 -3.173
217 HB3 CYS 32 2HB CYS 32 -8.065 12.605 -2.675
218 H LYS 33 H LYS 33 -6.562 15.506 -1.630
219 HA LYS 33 HA LYS 33 -3.981 15.047 -2.849
220 HB2 LYS 33 1HB LYS 33 -4.926 16.370 -0.327
221 HB3 LYS 33 2HB LYS 33 -3.224 15.976 -0.534
222 HG2 LYS 33 1HG LYS 33 -3.255 17.290 -2.654
223 HG3 LYS 33 2HG LYS 33 -4.896 17.799 -2.246
224 HD2 LYS 33 1HD LYS 33 -3.618 19.546 -1.422
225 HD3 LYS 33 2HD LYS 33 -3.830 18.532 0.008
226 HE2 LYS 33 1HE LYS 33 -1.618 17.453 -0.613
227 HE3 LYS 33 2HE LYS 33 -1.412 18.770 -1.767
228 HZ1 LYS 33 3HZ LYS 33 -1.311 20.340 -0.065
229 HZ2 LYS 33 1HZ LYS 33 -0.389 19.050 0.524
230 HZ3 LYS 33 2HZ LYS 33 -1.965 19.290 1.089
231 H ALA 34 H ALA 34 -5.655 13.971 0.103
232 HA ALA 34 HA ALA 34 -3.687 11.806 0.367
233 HB1 ALA 34 3HB ALA 34 -3.799 12.977 2.389
234 HB2 ALA 34 1HB ALA 34 -5.557 13.105 2.322
235 HB3 ALA 34 2HB ALA 34 -4.798 11.548 2.659
236 H ALA 35 H ALA 35 -5.715 11.670 -1.643
237 HA ALA 35 HA ALA 35 -8.006 10.266 -0.990
238 HB1 ALA 35 3HB ALA 35 -7.004 9.190 -3.418
239 HB2 ALA 35 1HB ALA 35 -8.262 10.406 -3.187
240 HB3 ALA 35 2HB ALA 35 -6.578 10.901 -3.359
241 HA PRO 36 HA PRO 36 -6.802 6.257 0.330
242 HB2 PRO 36 1HB PRO 36 -8.796 4.731 -0.704
243 HB3 PRO 36 2HB PRO 36 -9.034 5.824 0.665
244 HG2 PRO 36 1HG PRO 36 -9.684 6.241 -2.228
245 HG3 PRO 36 2HG PRO 36 -10.647 6.645 -0.794
246 HD2 PRO 36 1HD PRO 36 -9.192 8.490 -2.139
247 HD3 PRO 36 2HD PRO 36 -9.461 8.578 -0.386
248 H GLY 37 H GLY 37 -5.467 4.663 -0.335
249 HA2 GLY 37 1HA GLY 37 -4.116 4.569 -2.647
250 HA3 GLY 37 2HA GLY 37 -4.489 3.103 -1.752
251 H CYS 38 H CYS 38 -4.427 4.126 -4.732
252 HA CYS 38 HA CYS 38 -7.079 3.378 -5.618
253 HB2 CYS 38 1HB CYS 38 -6.067 3.715 -7.910
254 HB3 CYS 38 2HB CYS 38 -6.046 5.130 -6.863
255 H THR 39 H THR 39 -3.798 2.057 -5.776
256 HA THR 39 HA THR 39 -4.275 -0.165 -7.367
257 HB THR 39 HB THR 39 -2.020 0.545 -6.648
258 HG1 THR 39 HG1 THR 39 -1.258 -1.633 -6.270
259 HG21 THR 39 3HG2 THR 39 -2.434 -0.889 -4.054
260 HG22 THR 39 1HG2 THR 39 -2.859 0.817 -4.193
261 HG23 THR 39 2HG2 THR 39 -1.202 0.293 -4.495
262 H LEU 40 H LEU 40 -5.199 -2.112 -7.072
263 HA LEU 40 HA LEU 40 -6.363 -2.661 -4.427
264 HB2 LEU 40 1HB LEU 40 -7.745 -2.389 -6.644
265 HB3 LEU 40 2HB LEU 40 -7.251 -4.060 -6.906
266 HG LEU 40 HG LEU 40 -9.492 -3.897 -5.928
267 HD11 LEU 40 1HD1 LEU 40 -7.726 -4.997 -3.781
268 HD12 LEU 40 2HD1 LEU 40 -7.745 -5.734 -5.383
269 HD13 LEU 40 3HD1 LEU 40 -9.230 -5.643 -4.438
270 HD21 LEU 40 3HD2 LEU 40 -8.338 -2.959 -3.346
271 HD22 LEU 40 1HD2 LEU 40 -9.987 -2.834 -3.959
272 HD23 LEU 40 2HD2 LEU 40 -8.730 -1.769 -4.589
273 H TRP 41 H TRP 41 -5.929 -4.529 -3.381
274 HA TRP 41 HA TRP 41 -3.665 -5.922 -3.560
275 HB2 TRP 41 1HB TRP 41 -5.789 -6.229 -2.010
276 HB3 TRP 41 2HB TRP 41 -6.099 -7.588 -3.087
277 HD1 TRP 41 HD1 TRP 41 -4.204 -6.687 -0.042
278 HE1 TRP 41 HE1 TRP 41 -2.584 -8.579 0.604
279 HE3 TRP 41 HE3 TRP 41 -4.422 -9.443 -4.342
280 HZ2 TRP 41 HZ2 TRP 41 -1.536 -10.929 -0.557
281 HZ3 TRP 41 HZ3 TRP 41 -3.079 -11.500 -4.493
282 HH2 TRP 41 HH2 TRP 41 -1.666 -12.226 -2.638
283 H GLU 42 H GLU 42 -2.645 -6.924 -5.154
284 HA GLU 42 HA GLU 42 -4.068 -8.845 -6.808
285 HB2 GLU 42 1HB GLU 42 -3.073 -7.862 -8.899
286 HB3 GLU 42 2HB GLU 42 -4.353 -6.906 -8.166
287 HG2 GLU 42 1HG GLU 42 -2.861 -5.294 -7.375
288 HG3 GLU 42 2HG GLU 42 -1.467 -6.350 -7.595
289 H ALA 43 H ALA 43 -2.408 -9.862 -8.414
290 HA ALA 43 HA ALA 43 0.193 -10.134 -7.060
291 HB1 ALA 43 3HB ALA 43 -0.696 -12.133 -6.420
292 HB2 ALA 43 1HB ALA 43 -1.759 -12.237 -7.823
293 HB3 ALA 43 2HB ALA 43 -0.040 -12.599 -7.989
294 H TYR 44 H TYR 44 -1.459 -11.186 -10.046
295 HA TYR 44 HA TYR 44 0.243 -9.730 -11.767
296 HB2 TYR 44 1HB TYR 44 1.383 -11.755 -12.791
297 HB3 TYR 44 2HB TYR 44 1.990 -11.243 -11.220
298 HD1 TYR 44 HD1 TYR 44 -0.697 -13.505 -12.521
299 HD2 TYR 44 HD2 TYR 44 2.488 -12.943 -9.756
300 HE1 TYR 44 HE1 TYR 44 -1.064 -15.774 -11.646
301 HE2 TYR 44 HE2 TYR 44 2.130 -15.211 -8.874
302 HH TYR 44 HH TYR 44 -0.505 -17.256 -10.079
303 H SER 45 H SER 45 0.074 -10.723 -14.104
304 HA SER 45 HA SER 45 -1.413 -10.924 -15.837
305 HB2 SER 45 1HB SER 45 -2.327 -13.103 -16.041
306 HB3 SER 45 2HB SER 45 -0.869 -13.301 -15.069
307 HG SER 45 HG SER 45 -2.607 -12.904 -13.280
308 H GLY 46 H GLY 46 -2.338 -9.068 -13.999
309 HA2 GLY 46 1HA GLY 46 -5.013 -9.571 -13.169
310 HA3 GLY 46 2HA GLY 46 -4.236 -7.997 -13.259
311 HA PRO 47 HA PRO 47 -6.691 -6.928 -16.725
312 HB2 PRO 47 1HB PRO 47 -4.982 -5.399 -18.177
313 HB3 PRO 47 2HB PRO 47 -5.701 -4.857 -16.657
314 HG2 PRO 47 1HG PRO 47 -2.979 -5.995 -17.165
315 HG3 PRO 47 2HG PRO 47 -3.444 -4.621 -16.145
316 HD2 PRO 47 1HD PRO 47 -2.918 -7.076 -15.131
317 HD3 PRO 47 2HD PRO 47 -4.107 -5.977 -14.403
318 H SER 48 H SER 48 -6.918 -7.118 -19.059
319 HA SER 48 HA SER 48 -5.587 -9.505 -20.048
320 HB2 SER 48 1HB SER 48 -7.288 -9.573 -21.735
321 HB3 SER 48 2HB SER 48 -8.084 -9.157 -20.218
322 HG SER 48 HG SER 48 -8.179 -7.823 -22.466
323 H SER 49 H SER 49 -4.953 -9.542 -22.400
324 HA SER 49 HA SER 49 -3.210 -7.261 -22.908
325 HB2 SER 49 1HB SER 49 -3.376 -10.013 -24.151
326 HB3 SER 49 2HB SER 49 -2.255 -8.764 -24.693
327 HG SER 49 HG SER 49 -1.717 -10.456 -22.896
328 H GLY 50 H GLY 50 -4.349 -5.638 -23.836
329 HA2 GLY 50 1HA GLY 50 -6.528 -5.752 -25.495
330 HA3 GLY 50 2HA GLY 50 -5.324 -4.474 -25.564
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -18.999 11.573 7.743
2 HA2 GLY 1 1HA GLY 1 -19.317 12.801 10.414
3 HA3 GLY 1 2HA GLY 1 -18.237 11.448 10.106
4 H SER 2 H SER 2 -16.688 12.969 11.142
5 HA SER 2 HA SER 2 -15.785 15.146 9.425
6 HB2 SER 2 1HB SER 2 -15.122 14.285 12.232
7 HB3 SER 2 2HB SER 2 -14.108 15.446 11.374
8 HG SER 2 HG SER 2 -16.169 16.615 11.013
9 H SER 3 H SER 3 -13.475 15.365 8.935
10 HA SER 3 HA SER 3 -12.355 12.766 8.175
11 HB2 SER 3 1HB SER 3 -12.740 14.827 6.574
12 HB3 SER 3 2HB SER 3 -11.200 15.366 7.244
13 HG SER 3 HG SER 3 -10.292 14.020 5.928
14 H GLY 4 H GLY 4 -11.113 15.910 9.335
15 HA2 GLY 4 1HA GLY 4 -9.377 16.418 10.746
16 HA3 GLY 4 2HA GLY 4 -9.720 14.884 11.533
17 H SER 5 H SER 5 -7.548 14.429 11.906
18 HA SER 5 HA SER 5 -5.660 14.376 9.731
19 HB2 SER 5 1HB SER 5 -4.051 13.658 11.366
20 HB3 SER 5 2HB SER 5 -5.050 14.899 12.120
21 HG SER 5 HG SER 5 -6.324 12.816 12.738
22 H SER 6 H SER 6 -4.364 12.374 9.305
23 HA SER 6 HA SER 6 -6.162 10.043 9.178
24 HB2 SER 6 1HB SER 6 -4.153 11.150 7.250
25 HB3 SER 6 2HB SER 6 -4.494 9.420 7.239
26 HG SER 6 HG SER 6 -6.544 11.365 7.127
27 H GLY 7 H GLY 7 -5.509 8.142 10.011
28 HA2 GLY 7 1HA GLY 7 -2.864 8.096 11.295
29 HA3 GLY 7 2HA GLY 7 -4.238 7.099 11.749
30 H ASN 8 H ASN 8 -4.921 5.441 10.159
31 HA ASN 8 HA ASN 8 -4.496 3.645 8.827
32 HB2 ASN 8 1HB ASN 8 -3.757 5.513 7.241
33 HB3 ASN 8 2HB ASN 8 -2.109 5.125 7.729
34 HD21 ASN 8 1HD2 ASN 8 -1.105 3.420 6.841
35 HD22 ASN 8 2HD2 ASN 8 -1.826 2.347 5.694
36 HA PRO 9 HA PRO 9 -0.948 2.675 11.795
37 HB2 PRO 9 1HB PRO 9 -2.401 1.214 13.564
38 HB3 PRO 9 2HB PRO 9 -2.179 2.960 13.715
39 HG2 PRO 9 1HG PRO 9 -4.504 1.435 12.607
40 HG3 PRO 9 2HG PRO 9 -4.501 2.849 13.678
41 HD2 PRO 9 1HD PRO 9 -4.954 3.040 11.016
42 HD3 PRO 9 2HD PRO 9 -4.148 4.322 11.941
43 H HIS 10 H HIS 10 -2.986 1.206 9.651
44 HA HIS 10 HA HIS 10 -2.633 -1.539 10.176
45 HB2 HIS 10 1HB HIS 10 -2.918 -0.370 7.414
46 HB3 HIS 10 2HB HIS 10 -3.491 -1.927 8.005
47 HD2 HIS 10 HD2 HIS 10 -5.611 0.176 6.644
48 HE1 HIS 10 HE1 HIS 10 -6.963 0.728 10.627
49 HE2 HIS 10 HE2 HIS 10 -7.543 0.937 8.186
50 H LEU 11 H LEU 11 -0.987 -2.900 9.820
51 HA LEU 11 HA LEU 11 1.599 -1.977 9.307
52 HB2 LEU 11 1HB LEU 11 1.324 -3.995 10.513
53 HB3 LEU 11 2HB LEU 11 0.386 -4.724 9.212
54 HG LEU 11 HG LEU 11 2.517 -4.627 7.827
55 HD11 LEU 11 1HD1 LEU 11 3.436 -3.376 10.250
56 HD12 LEU 11 2HD1 LEU 11 4.244 -3.535 8.691
57 HD13 LEU 11 3HD1 LEU 11 4.384 -4.819 9.892
58 HD21 LEU 11 3HD2 LEU 11 1.495 -6.625 9.098
59 HD22 LEU 11 1HD2 LEU 11 2.816 -6.377 10.240
60 HD23 LEU 11 2HD2 LEU 11 3.170 -6.738 8.549
61 H LEU 12 H LEU 12 -0.555 -3.872 7.191
62 HA LEU 12 HA LEU 12 1.111 -3.076 4.904
63 HB2 LEU 12 1HB LEU 12 -0.648 -5.421 5.458
64 HB3 LEU 12 2HB LEU 12 -0.376 -4.923 3.789
65 HG LEU 12 HG LEU 12 1.831 -5.640 5.714
66 HD11 LEU 12 1HD1 LEU 12 0.265 -7.306 3.780
67 HD12 LEU 12 2HD1 LEU 12 0.706 -7.658 5.449
68 HD13 LEU 12 3HD1 LEU 12 1.934 -7.705 4.185
69 HD21 LEU 12 3HD2 LEU 12 2.762 -4.309 4.046
70 HD22 LEU 12 1HD2 LEU 12 1.704 -4.965 2.796
71 HD23 LEU 12 2HD2 LEU 12 3.013 -5.950 3.450
72 H VAL 13 H VAL 13 0.370 -1.382 3.822
73 HA VAL 13 HA VAL 13 -2.530 -1.170 3.360
74 HB VAL 13 HB VAL 13 -1.841 0.497 5.041
75 HG11 VAL 13 1HG1 VAL 13 0.015 1.418 2.856
76 HG12 VAL 13 2HG1 VAL 13 -0.411 2.404 4.255
77 HG13 VAL 13 3HG1 VAL 13 0.441 0.876 4.478
78 HG21 VAL 13 3HG2 VAL 13 -2.873 1.281 2.364
79 HG22 VAL 13 1HG2 VAL 13 -3.677 1.287 3.934
80 HG23 VAL 13 2HG2 VAL 13 -2.521 2.557 3.531
81 H LYS 14 H LYS 14 -3.169 -0.471 1.346
82 HA LYS 14 HA LYS 14 -1.538 -1.029 -0.839
83 HB2 LYS 14 1HB LYS 14 -4.121 0.447 -0.503
84 HB3 LYS 14 2HB LYS 14 -3.314 0.465 -2.065
85 HG2 LYS 14 1HG LYS 14 -4.669 -1.336 -2.350
86 HG3 LYS 14 2HG LYS 14 -3.250 -2.141 -1.678
87 HD2 LYS 14 1HD LYS 14 -5.012 -3.032 -0.442
88 HD3 LYS 14 2HD LYS 14 -4.384 -1.757 0.605
89 HE2 LYS 14 1HE LYS 14 -6.612 -1.195 -1.315
90 HE3 LYS 14 2HE LYS 14 -6.941 -1.955 0.241
91 HZ1 LYS 14 3HZ LYS 14 -7.043 0.126 0.999
92 HZ2 LYS 14 1HZ LYS 14 -6.270 0.776 -0.359
93 HZ3 LYS 14 2HZ LYS 14 -5.353 0.129 0.908
94 H TYR 15 H TYR 15 -1.059 0.585 -2.635
95 HA TYR 15 HA TYR 15 -0.182 3.176 -1.572
96 HB2 TYR 15 1HB TYR 15 1.979 2.921 -2.777
97 HB3 TYR 15 2HB TYR 15 1.783 1.770 -1.461
98 HD1 TYR 15 HD1 TYR 15 1.082 1.995 -5.130
99 HD2 TYR 15 HD2 TYR 15 2.391 -0.414 -1.875
100 HE1 TYR 15 HE1 TYR 15 1.537 0.147 -6.688
101 HE2 TYR 15 HE2 TYR 15 2.851 -2.267 -3.424
102 HH TYR 15 HH TYR 15 2.723 -1.854 -6.875
103 H HIS 16 H HIS 16 0.657 4.581 -3.457
104 HA HIS 16 HA HIS 16 -1.331 4.399 -5.602
105 HB2 HIS 16 1HB HIS 16 0.205 6.645 -4.363
106 HB3 HIS 16 2HB HIS 16 -0.371 6.819 -6.017
107 HD2 HIS 16 HD2 HIS 16 -1.692 7.028 -2.419
108 HE1 HIS 16 HE1 HIS 16 -5.030 7.373 -5.013
109 HE2 HIS 16 HE2 HIS 16 -4.188 7.661 -2.657
110 H SER 17 H SER 17 -0.762 3.790 -7.578
111 HA SER 17 HA SER 17 2.026 3.349 -8.202
112 HB2 SER 17 1HB SER 17 0.139 1.758 -8.810
113 HB3 SER 17 2HB SER 17 -0.334 2.928 -10.041
114 HG SER 17 HG SER 17 1.463 1.050 -10.272
115 H GLY 18 H GLY 18 1.538 6.050 -7.854
116 HA2 GLY 18 1HA GLY 18 2.561 7.111 -10.285
117 HA3 GLY 18 2HA GLY 18 0.871 7.555 -10.083
118 H PHE 19 H PHE 19 2.292 9.670 -10.208
119 HA PHE 19 HA PHE 19 2.926 10.464 -7.442
120 HB2 PHE 19 1HB PHE 19 3.964 11.801 -9.943
121 HB3 PHE 19 2HB PHE 19 4.517 12.036 -8.288
122 HD1 PHE 19 HD2 PHE 19 5.929 10.384 -7.202
123 HD2 PHE 19 HD1 PHE 19 4.656 9.896 -11.234
124 HE1 PHE 19 HE2 PHE 19 7.645 8.651 -7.530
125 HE2 PHE 19 HE1 PHE 19 6.368 8.161 -11.569
126 HZ PHE 19 HZ PHE 19 7.867 7.538 -9.716
127 H PHE 20 H PHE 20 2.428 12.686 -6.861
128 HA PHE 20 HA PHE 20 -0.130 13.497 -7.982
129 HB2 PHE 20 1HB PHE 20 0.299 13.307 -5.491
130 HB3 PHE 20 2HB PHE 20 1.320 14.734 -5.641
131 HD1 PHE 20 HD1 PHE 20 -2.131 13.480 -6.057
132 HD2 PHE 20 HD2 PHE 20 0.391 16.891 -5.712
133 HE1 PHE 20 HE1 PHE 20 -4.113 14.916 -5.804
134 HE2 PHE 20 HE2 PHE 20 -1.587 18.332 -5.458
135 HZ PHE 20 HZ PHE 20 -3.843 17.345 -5.503
136 H VAL 21 H VAL 21 -0.009 14.734 -9.745
137 HA VAL 21 HA VAL 21 1.734 17.103 -9.641
138 HB VAL 21 HB VAL 21 1.290 15.352 -12.064
139 HG11 VAL 21 1HG1 VAL 21 2.934 16.903 -13.134
140 HG12 VAL 21 2HG1 VAL 21 1.367 17.632 -12.776
141 HG13 VAL 21 3HG1 VAL 21 2.754 17.964 -11.738
142 HG21 VAL 21 3HG2 VAL 21 3.917 15.368 -11.816
143 HG22 VAL 21 1HG2 VAL 21 3.523 15.664 -10.122
144 HG23 VAL 21 2HG2 VAL 21 2.920 14.216 -10.928
145 H ASP 22 H ASP 22 0.962 18.947 -10.717
146 HA ASP 22 HA ASP 22 -0.628 20.450 -11.343
147 HB2 ASP 22 1HB ASP 22 -0.615 18.701 -13.294
148 HB3 ASP 22 2HB ASP 22 -2.195 18.256 -12.654
149 H GLY 23 H GLY 23 -0.935 19.333 -8.788
150 HA2 GLY 23 1HA GLY 23 -2.459 19.197 -7.077
151 HA3 GLY 23 2HA GLY 23 -3.507 20.170 -8.101
152 H LYS 24 H LYS 24 -2.300 16.929 -8.802
153 HA LYS 24 HA LYS 24 -4.581 15.511 -7.960
154 HB2 LYS 24 1HB LYS 24 -5.684 15.072 -10.075
155 HB3 LYS 24 2HB LYS 24 -5.664 16.803 -9.766
156 HG2 LYS 24 1HG LYS 24 -4.136 17.221 -11.442
157 HG3 LYS 24 2HG LYS 24 -3.515 15.570 -11.429
158 HD2 LYS 24 1HD LYS 24 -5.575 14.764 -12.439
159 HD3 LYS 24 2HD LYS 24 -6.254 16.393 -12.393
160 HE2 LYS 24 1HE LYS 24 -5.501 16.133 -14.594
161 HE3 LYS 24 2HE LYS 24 -4.240 17.082 -13.806
162 HZ1 LYS 24 3HZ LYS 24 -4.174 14.290 -14.707
163 HZ2 LYS 24 1HZ LYS 24 -3.222 14.736 -13.382
164 HZ3 LYS 24 2HZ LYS 24 -3.006 15.503 -14.874
165 H PHE 25 H PHE 25 -4.392 13.287 -8.308
166 HA PHE 25 HA PHE 25 -1.752 12.338 -8.713
167 HB2 PHE 25 1HB PHE 25 -4.418 11.027 -8.288
168 HB3 PHE 25 2HB PHE 25 -3.020 10.053 -8.730
169 HD1 PHE 25 HD1 PHE 25 -0.910 10.337 -7.264
170 HD2 PHE 25 HD2 PHE 25 -4.817 11.533 -6.071
171 HE1 PHE 25 HE1 PHE 25 -0.203 10.280 -4.908
172 HE2 PHE 25 HE2 PHE 25 -4.116 11.478 -3.713
173 HZ PHE 25 HZ PHE 25 -1.807 10.853 -3.128
174 H LEU 26 H LEU 26 -1.533 10.268 -10.205
175 HA LEU 26 HA LEU 26 -2.592 10.949 -12.866
176 HB2 LEU 26 1HB LEU 26 0.173 9.886 -12.333
177 HB3 LEU 26 2HB LEU 26 -0.485 10.438 -13.872
178 HG LEU 26 HG LEU 26 0.111 12.183 -11.482
179 HD11 LEU 26 1HD1 LEU 26 1.521 12.473 -14.068
180 HD12 LEU 26 2HD1 LEU 26 1.972 11.106 -13.051
181 HD13 LEU 26 3HD1 LEU 26 2.094 12.749 -12.423
182 HD21 LEU 26 3HD2 LEU 26 -0.251 14.006 -13.198
183 HD22 LEU 26 1HD2 LEU 26 -1.697 13.162 -12.644
184 HD23 LEU 26 2HD2 LEU 26 -0.998 12.773 -14.215
185 H CYS 27 H CYS 27 -1.643 8.505 -10.578
186 HA CYS 27 HA CYS 27 -1.906 6.264 -12.308
187 HB2 CYS 27 1HB CYS 27 -2.171 5.029 -10.056
188 HB3 CYS 27 2HB CYS 27 -0.647 5.847 -10.379
189 H CYS 28 H CYS 28 -4.096 7.857 -10.024
190 HA CYS 28 HA CYS 28 -6.325 6.396 -11.279
191 HB2 CYS 28 1HB CYS 28 -7.467 6.634 -9.002
192 HB3 CYS 28 2HB CYS 28 -6.176 5.443 -9.124
193 H GLN 29 H GLN 29 -5.071 9.113 -11.680
194 HA GLN 29 HA GLN 29 -5.670 11.342 -11.756
195 HB2 GLN 29 1HB GLN 29 -8.127 9.950 -12.835
196 HB3 GLN 29 2HB GLN 29 -7.737 11.646 -13.089
197 HG2 GLN 29 1HG GLN 29 -6.087 9.307 -14.019
198 HG3 GLN 29 2HG GLN 29 -7.163 10.276 -15.023
199 HE21 GLN 29 1HE2 GLN 29 -4.222 9.784 -15.084
200 HE22 GLN 29 2HE2 GLN 29 -3.511 11.359 -15.107
201 H GLN 30 H GLN 30 -6.116 10.331 -9.160
202 HA GLN 30 HA GLN 30 -8.735 11.253 -8.319
203 HB2 GLN 30 1HB GLN 30 -6.459 9.827 -7.042
204 HB3 GLN 30 2HB GLN 30 -7.511 10.770 -5.994
205 HG2 GLN 30 1HG GLN 30 -9.399 9.467 -7.282
206 HG3 GLN 30 2HG GLN 30 -8.093 8.316 -7.560
207 HE21 GLN 30 1HE2 GLN 30 -6.911 7.590 -5.624
208 HE22 GLN 30 2HE2 GLN 30 -7.800 7.374 -4.158
209 H SER 31 H SER 31 -9.130 13.320 -7.941
210 HA SER 31 HA SER 31 -6.937 15.171 -7.484
211 HB2 SER 31 1HB SER 31 -8.675 16.920 -7.708
212 HB3 SER 31 2HB SER 31 -8.670 15.814 -9.081
213 HG SER 31 HG SER 31 -10.360 15.341 -6.883
214 H CYS 32 H CYS 32 -7.226 13.414 -5.376
215 HA CYS 32 HA CYS 32 -8.115 15.230 -3.247
216 HB2 CYS 32 1HB CYS 32 -8.876 12.365 -3.663
217 HB3 CYS 32 2HB CYS 32 -8.725 12.984 -2.022
218 H LYS 33 H LYS 33 -6.039 15.836 -2.727
219 HA LYS 33 HA LYS 33 -3.710 14.536 -2.619
220 HB2 LYS 33 1HB LYS 33 -4.154 16.866 -1.792
221 HB3 LYS 33 2HB LYS 33 -4.702 16.165 -0.275
222 HG2 LYS 33 1HG LYS 33 -2.485 15.172 0.054
223 HG3 LYS 33 2HG LYS 33 -1.940 15.912 -1.453
224 HD2 LYS 33 1HD LYS 33 -2.581 18.138 -0.454
225 HD3 LYS 33 2HD LYS 33 -2.801 17.294 1.081
226 HE2 LYS 33 1HE LYS 33 -0.246 17.217 -0.512
227 HE3 LYS 33 2HE LYS 33 -0.562 18.396 0.762
228 HZ1 LYS 33 3HZ LYS 33 -1.077 16.260 2.136
229 HZ2 LYS 33 1HZ LYS 33 0.522 16.767 1.917
230 HZ3 LYS 33 2HZ LYS 33 -0.101 15.505 0.979
231 H ALA 34 H ALA 34 -6.190 14.271 -0.085
232 HA ALA 34 HA ALA 34 -4.729 12.003 1.065
233 HB1 ALA 34 3HB ALA 34 -7.101 13.463 2.214
234 HB2 ALA 34 1HB ALA 34 -6.069 12.293 3.035
235 HB3 ALA 34 2HB ALA 34 -5.419 13.863 2.560
236 H ALA 35 H ALA 35 -5.503 10.906 -1.028
237 HA ALA 35 HA ALA 35 -8.243 9.887 -0.734
238 HB1 ALA 35 3HB ALA 35 -7.901 10.773 -2.903
239 HB2 ALA 35 1HB ALA 35 -6.359 9.933 -3.080
240 HB3 ALA 35 2HB ALA 35 -7.868 9.018 -3.073
241 HA PRO 36 HA PRO 36 -6.908 5.900 0.530
242 HB2 PRO 36 1HB PRO 36 -8.769 4.318 -0.653
243 HB3 PRO 36 2HB PRO 36 -9.130 5.351 0.735
244 HG2 PRO 36 1HG PRO 36 -9.652 5.834 -2.174
245 HG3 PRO 36 2HG PRO 36 -10.705 6.143 -0.782
246 HD2 PRO 36 1HD PRO 36 -9.277 8.100 -1.990
247 HD3 PRO 36 2HD PRO 36 -9.637 8.117 -0.251
248 H GLY 37 H GLY 37 -5.939 3.935 -0.175
249 HA2 GLY 37 1HA GLY 37 -4.303 4.128 -2.421
250 HA3 GLY 37 2HA GLY 37 -4.650 2.636 -1.560
251 H CYS 38 H CYS 38 -4.622 3.853 -4.522
252 HA CYS 38 HA CYS 38 -7.183 2.903 -5.473
253 HB2 CYS 38 1HB CYS 38 -6.337 3.546 -7.699
254 HB3 CYS 38 2HB CYS 38 -6.175 4.856 -6.533
255 H THR 39 H THR 39 -3.787 1.918 -5.705
256 HA THR 39 HA THR 39 -4.245 -0.347 -7.342
257 HB THR 39 HB THR 39 -1.957 0.032 -5.405
258 HG1 THR 39 HG1 THR 39 -0.927 0.966 -7.311
259 HG21 THR 39 3HG2 THR 39 -2.621 -1.959 -7.394
260 HG22 THR 39 1HG2 THR 39 -1.320 -1.953 -6.205
261 HG23 THR 39 2HG2 THR 39 -1.090 -1.169 -7.768
262 H LEU 40 H LEU 40 -6.049 -1.391 -6.362
263 HA LEU 40 HA LEU 40 -5.325 -2.976 -3.987
264 HB2 LEU 40 1HB LEU 40 -7.783 -3.031 -3.491
265 HB3 LEU 40 2HB LEU 40 -6.993 -1.471 -3.268
266 HG LEU 40 HG LEU 40 -7.890 -0.876 -5.583
267 HD11 LEU 40 1HD1 LEU 40 -9.543 -3.327 -5.005
268 HD12 LEU 40 2HD1 LEU 40 -8.469 -3.062 -6.379
269 HD13 LEU 40 3HD1 LEU 40 -9.945 -2.112 -6.218
270 HD21 LEU 40 3HD2 LEU 40 -10.302 -1.189 -4.011
271 HD22 LEU 40 1HD2 LEU 40 -9.433 0.277 -4.468
272 HD23 LEU 40 2HD2 LEU 40 -8.946 -0.625 -3.032
273 H TRP 41 H TRP 41 -5.963 -3.063 -7.226
274 HA TRP 41 HA TRP 41 -7.535 -5.438 -7.400
275 HB2 TRP 41 1HB TRP 41 -6.448 -5.400 -9.807
276 HB3 TRP 41 2HB TRP 41 -7.680 -4.227 -9.353
277 HD1 TRP 41 HD1 TRP 41 -3.938 -4.016 -8.413
278 HE1 TRP 41 HE1 TRP 41 -2.986 -1.841 -9.408
279 HE3 TRP 41 HE3 TRP 41 -8.041 -2.459 -11.034
280 HZ2 TRP 41 HZ2 TRP 41 -3.859 0.257 -11.081
281 HZ3 TRP 41 HZ3 TRP 41 -7.900 -0.356 -12.306
282 HH2 TRP 41 HH2 TRP 41 -5.852 0.972 -12.327
283 H GLU 42 H GLU 42 -6.376 -6.793 -5.892
284 HA GLU 42 HA GLU 42 -3.938 -7.969 -7.058
285 HB2 GLU 42 1HB GLU 42 -4.748 -7.813 -4.149
286 HB3 GLU 42 2HB GLU 42 -3.323 -8.644 -4.758
287 HG2 GLU 42 1HG GLU 42 -3.843 -5.699 -5.074
288 HG3 GLU 42 2HG GLU 42 -2.852 -6.413 -3.804
289 H ALA 43 H ALA 43 -6.449 -8.794 -7.912
290 HA ALA 43 HA ALA 43 -6.714 -11.441 -6.638
291 HB1 ALA 43 3HB ALA 43 -8.790 -10.536 -6.284
292 HB2 ALA 43 1HB ALA 43 -8.745 -9.575 -7.762
293 HB3 ALA 43 2HB ALA 43 -9.041 -11.312 -7.848
294 H TYR 44 H TYR 44 -4.743 -11.017 -8.551
295 HA TYR 44 HA TYR 44 -5.776 -11.968 -11.097
296 HB2 TYR 44 1HB TYR 44 -3.940 -10.224 -10.878
297 HB3 TYR 44 2HB TYR 44 -2.883 -11.530 -10.354
298 HD1 TYR 44 HD1 TYR 44 -4.898 -10.268 -13.186
299 HD2 TYR 44 HD2 TYR 44 -1.920 -13.032 -11.920
300 HE1 TYR 44 HE1 TYR 44 -4.399 -10.799 -15.536
301 HE2 TYR 44 HE2 TYR 44 -1.412 -13.569 -14.266
302 HH TYR 44 HH TYR 44 -2.308 -11.719 -16.811
303 H SER 45 H SER 45 -3.567 -13.069 -8.546
304 HA SER 45 HA SER 45 -3.613 -15.760 -9.719
305 HB2 SER 45 1HB SER 45 -1.668 -16.224 -8.274
306 HB3 SER 45 2HB SER 45 -1.381 -14.827 -9.312
307 HG SER 45 HG SER 45 -1.905 -13.497 -7.523
308 H GLY 46 H GLY 46 -5.626 -16.450 -8.979
309 HA2 GLY 46 1HA GLY 46 -5.802 -17.884 -6.675
310 HA3 GLY 46 2HA GLY 46 -6.322 -16.278 -6.188
311 HA PRO 47 HA PRO 47 -9.511 -17.963 -9.444
312 HB2 PRO 47 1HB PRO 47 -9.451 -20.650 -9.831
313 HB3 PRO 47 2HB PRO 47 -8.526 -19.516 -10.823
314 HG2 PRO 47 1HG PRO 47 -7.620 -21.186 -8.510
315 HG3 PRO 47 2HG PRO 47 -6.807 -20.880 -10.055
316 HD2 PRO 47 1HD PRO 47 -6.136 -19.582 -7.776
317 HD3 PRO 47 2HD PRO 47 -6.015 -18.825 -9.377
318 H SER 48 H SER 48 -11.464 -19.476 -9.202
319 HA SER 48 HA SER 48 -11.824 -20.214 -6.374
320 HB2 SER 48 1HB SER 48 -13.768 -18.750 -8.171
321 HB3 SER 48 2HB SER 48 -14.198 -19.426 -6.602
322 HG SER 48 HG SER 48 -12.635 -18.052 -5.664
323 H SER 49 H SER 49 -11.911 -22.369 -6.384
324 HA SER 49 HA SER 49 -14.069 -23.715 -7.671
325 HB2 SER 49 1HB SER 49 -11.344 -23.846 -8.876
326 HB3 SER 49 2HB SER 49 -12.295 -25.330 -8.825
327 HG SER 49 HG SER 49 -13.690 -24.507 -10.215
328 H GLY 50 H GLY 50 -14.667 -24.801 -5.896
329 HA2 GLY 50 1HA GLY 50 -14.620 -26.431 -4.273
330 HA3 GLY 50 2HA GLY 50 -13.110 -26.994 -4.973
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -10.554 -19.839 7.850
2 HA2 GLY 1 1HA GLY 1 -9.147 -21.905 8.245
3 HA3 GLY 1 2HA GLY 1 -8.971 -21.212 6.639
4 H SER 2 H SER 2 -7.432 -18.973 7.219
5 HA SER 2 HA SER 2 -4.919 -20.237 8.091
6 HB2 SER 2 1HB SER 2 -4.902 -19.616 5.725
7 HB3 SER 2 2HB SER 2 -5.345 -17.959 6.141
8 HG SER 2 HG SER 2 -3.318 -18.078 7.480
9 H SER 3 H SER 3 -6.334 -16.972 7.825
10 HA SER 3 HA SER 3 -5.302 -16.403 10.522
11 HB2 SER 3 1HB SER 3 -5.121 -14.635 8.076
12 HB3 SER 3 2HB SER 3 -4.848 -14.052 9.718
13 HG SER 3 HG SER 3 -3.445 -16.314 8.862
14 H GLY 4 H GLY 4 -6.465 -14.784 11.702
15 HA2 GLY 4 1HA GLY 4 -8.650 -13.327 10.923
16 HA3 GLY 4 2HA GLY 4 -9.294 -14.928 11.255
17 H SER 5 H SER 5 -7.912 -15.744 13.432
18 HA SER 5 HA SER 5 -9.189 -14.347 15.525
19 HB2 SER 5 1HB SER 5 -8.593 -16.773 15.585
20 HB3 SER 5 2HB SER 5 -6.899 -16.314 15.758
21 HG SER 5 HG SER 5 -8.230 -16.761 17.740
22 H SER 6 H SER 6 -5.758 -14.570 14.607
23 HA SER 6 HA SER 6 -4.722 -12.909 16.589
24 HB2 SER 6 1HB SER 6 -2.824 -12.538 14.983
25 HB3 SER 6 2HB SER 6 -3.238 -14.235 15.231
26 HG SER 6 HG SER 6 -4.478 -12.861 13.137
27 H GLY 7 H GLY 7 -3.757 -10.716 16.239
28 HA2 GLY 7 1HA GLY 7 -5.348 -9.045 14.419
29 HA3 GLY 7 2HA GLY 7 -5.325 -8.654 16.132
30 H ASN 8 H ASN 8 -4.137 -7.632 13.352
31 HA ASN 8 HA ASN 8 -1.774 -6.489 14.620
32 HB2 ASN 8 1HB ASN 8 -1.705 -8.044 12.028
33 HB3 ASN 8 2HB ASN 8 -0.417 -6.959 12.547
34 HD21 ASN 8 1HD2 ASN 8 -1.248 -10.075 12.390
35 HD22 ASN 8 2HD2 ASN 8 -0.370 -10.705 13.737
36 HA PRO 9 HA PRO 9 -3.047 -2.836 12.544
37 HB2 PRO 9 1HB PRO 9 -0.667 -1.560 12.249
38 HB3 PRO 9 2HB PRO 9 -1.484 -1.723 13.808
39 HG2 PRO 9 1HG PRO 9 0.772 -3.332 12.674
40 HG3 PRO 9 2HG PRO 9 0.564 -2.702 14.319
41 HD2 PRO 9 1HD PRO 9 0.046 -5.279 13.670
42 HD3 PRO 9 2HD PRO 9 -0.857 -4.411 14.929
43 H HIS 10 H HIS 10 -2.206 -1.356 10.632
44 HA HIS 10 HA HIS 10 -2.474 -2.829 8.268
45 HB2 HIS 10 1HB HIS 10 -1.390 -0.034 8.676
46 HB3 HIS 10 2HB HIS 10 -1.847 -0.716 7.118
47 HD2 HIS 10 HD2 HIS 10 -3.367 1.567 9.548
48 HE1 HIS 10 HE1 HIS 10 -6.663 -0.623 8.016
49 HE2 HIS 10 HE2 HIS 10 -5.933 1.451 9.245
50 H LEU 11 H LEU 11 -0.969 -4.455 8.068
51 HA LEU 11 HA LEU 11 1.802 -4.163 8.464
52 HB2 LEU 11 1HB LEU 11 0.795 -6.337 8.477
53 HB3 LEU 11 2HB LEU 11 0.219 -6.131 6.824
54 HG LEU 11 HG LEU 11 2.600 -6.121 6.072
55 HD11 LEU 11 1HD1 LEU 11 4.347 -6.307 7.472
56 HD12 LEU 11 2HD1 LEU 11 3.494 -7.398 8.562
57 HD13 LEU 11 3HD1 LEU 11 3.219 -5.659 8.663
58 HD21 LEU 11 3HD2 LEU 11 1.177 -8.134 5.981
59 HD22 LEU 11 1HD2 LEU 11 1.752 -8.588 7.585
60 HD23 LEU 11 2HD2 LEU 11 2.880 -8.517 6.232
61 H LEU 12 H LEU 12 0.031 -4.473 5.379
62 HA LEU 12 HA LEU 12 2.229 -3.009 4.080
63 HB2 LEU 12 1HB LEU 12 0.290 -5.063 3.071
64 HB3 LEU 12 2HB LEU 12 1.164 -4.005 1.966
65 HG LEU 12 HG LEU 12 2.717 -5.600 3.948
66 HD11 LEU 12 1HD1 LEU 12 0.866 -6.894 2.423
67 HD12 LEU 12 2HD1 LEU 12 2.371 -7.602 3.010
68 HD13 LEU 12 3HD1 LEU 12 2.287 -6.932 1.380
69 HD21 LEU 12 3HD2 LEU 12 3.493 -3.827 2.133
70 HD22 LEU 12 1HD2 LEU 12 3.442 -5.251 1.093
71 HD23 LEU 12 2HD2 LEU 12 4.462 -5.246 2.532
72 H VAL 13 H VAL 13 1.343 -0.970 4.715
73 HA VAL 13 HA VAL 13 -1.232 -0.059 4.233
74 HB VAL 13 HB VAL 13 -0.205 2.231 4.090
75 HG11 VAL 13 1HG1 VAL 13 -0.778 0.873 6.222
76 HG12 VAL 13 2HG1 VAL 13 0.972 0.764 6.417
77 HG13 VAL 13 3HG1 VAL 13 0.185 2.342 6.371
78 HG21 VAL 13 3HG2 VAL 13 1.885 1.739 3.036
79 HG22 VAL 13 1HG2 VAL 13 2.228 2.360 4.650
80 HG23 VAL 13 2HG2 VAL 13 2.338 0.629 4.330
81 H LYS 14 H LYS 14 -2.331 0.658 2.496
82 HA LYS 14 HA LYS 14 -1.639 -0.086 -0.081
83 HB2 LYS 14 1HB LYS 14 -3.609 1.874 1.037
84 HB3 LYS 14 2HB LYS 14 -3.370 1.784 -0.704
85 HG2 LYS 14 1HG LYS 14 -5.077 0.306 -0.487
86 HG3 LYS 14 2HG LYS 14 -3.719 -0.797 -0.258
87 HD2 LYS 14 1HD LYS 14 -5.210 -1.308 1.483
88 HD3 LYS 14 2HD LYS 14 -3.963 -0.309 2.235
89 HE2 LYS 14 1HE LYS 14 -5.403 1.641 2.085
90 HE3 LYS 14 2HE LYS 14 -6.634 0.692 1.254
91 HZ1 LYS 14 3HZ LYS 14 -7.427 0.005 3.190
92 HZ2 LYS 14 1HZ LYS 14 -6.362 1.059 3.977
93 HZ3 LYS 14 2HZ LYS 14 -5.909 -0.547 3.696
94 H TYR 15 H TYR 15 -1.235 1.295 -1.972
95 HA TYR 15 HA TYR 15 0.140 3.808 -1.429
96 HB2 TYR 15 1HB TYR 15 2.118 3.119 -2.744
97 HB3 TYR 15 2HB TYR 15 1.928 2.166 -1.277
98 HD1 TYR 15 HD2 TYR 15 1.087 -0.173 -1.429
99 HD2 TYR 15 HD1 TYR 15 2.035 2.104 -4.896
100 HE1 TYR 15 HE2 TYR 15 1.167 -2.240 -2.757
101 HE2 TYR 15 HE1 TYR 15 2.117 0.042 -6.235
102 HH TYR 15 HH TYR 15 2.593 -2.711 -5.346
103 H HIS 16 H HIS 16 0.915 4.775 -3.606
104 HA HIS 16 HA HIS 16 -1.225 4.339 -5.583
105 HB2 HIS 16 1HB HIS 16 0.182 6.815 -4.650
106 HB3 HIS 16 2HB HIS 16 -0.507 6.763 -6.270
107 HD2 HIS 16 HD2 HIS 16 -1.596 7.429 -2.684
108 HE1 HIS 16 HE1 HIS 16 -5.141 6.940 -4.965
109 HE2 HIS 16 HE2 HIS 16 -4.162 7.748 -2.789
110 H SER 17 H SER 17 -0.649 3.605 -7.516
111 HA SER 17 HA SER 17 2.134 3.228 -8.150
112 HB2 SER 17 1HB SER 17 1.301 2.053 -10.138
113 HB3 SER 17 2HB SER 17 0.468 1.495 -8.688
114 HG SER 17 HG SER 17 -1.049 3.368 -9.442
115 H GLY 18 H GLY 18 1.633 5.928 -7.942
116 HA2 GLY 18 1HA GLY 18 2.570 6.859 -10.472
117 HA3 GLY 18 2HA GLY 18 0.904 7.343 -10.194
118 H PHE 19 H PHE 19 2.361 9.420 -10.493
119 HA PHE 19 HA PHE 19 3.234 10.302 -7.823
120 HB2 PHE 19 1HB PHE 19 3.969 11.477 -10.511
121 HB3 PHE 19 2HB PHE 19 4.606 11.974 -8.948
122 HD1 PHE 19 HD2 PHE 19 5.559 9.843 -7.553
123 HD2 PHE 19 HD1 PHE 19 5.372 10.208 -11.789
124 HE1 PHE 19 HE2 PHE 19 7.376 8.199 -7.771
125 HE2 PHE 19 HE1 PHE 19 7.189 8.564 -12.015
126 HZ PHE 19 HZ PHE 19 8.194 7.559 -10.004
127 H PHE 20 H PHE 20 2.795 12.559 -7.268
128 HA PHE 20 HA PHE 20 0.125 13.333 -8.186
129 HB2 PHE 20 1HB PHE 20 0.370 13.073 -5.782
130 HB3 PHE 20 2HB PHE 20 1.726 14.195 -5.769
131 HD1 PHE 20 HD2 PHE 20 1.368 16.586 -6.043
132 HD2 PHE 20 HD1 PHE 20 -1.895 13.854 -5.942
133 HE1 PHE 20 HE2 PHE 20 -0.183 18.457 -5.665
134 HE2 PHE 20 HE1 PHE 20 -3.452 15.722 -5.564
135 HZ PHE 20 HZ PHE 20 -2.595 18.027 -5.425
136 H VAL 21 H VAL 21 0.269 14.588 -9.952
137 HA VAL 21 HA VAL 21 1.970 16.988 -9.768
138 HB VAL 21 HB VAL 21 1.438 15.353 -12.254
139 HG11 VAL 21 1HG1 VAL 21 3.030 17.892 -11.902
140 HG12 VAL 21 2HG1 VAL 21 2.916 16.941 -13.385
141 HG13 VAL 21 3HG1 VAL 21 1.485 17.744 -12.738
142 HG21 VAL 21 3HG2 VAL 21 3.372 14.307 -11.895
143 HG22 VAL 21 1HG2 VAL 21 4.206 15.824 -11.561
144 HG23 VAL 21 2HG2 VAL 21 3.349 14.985 -10.267
145 H ASP 22 H ASP 22 1.174 18.868 -10.803
146 HA ASP 22 HA ASP 22 -0.430 20.392 -11.331
147 HB2 ASP 22 1HB ASP 22 -1.277 17.943 -12.799
148 HB3 ASP 22 2HB ASP 22 -2.429 19.271 -12.694
149 H GLY 23 H GLY 23 -0.578 19.369 -8.759
150 HA2 GLY 23 1HA GLY 23 -1.980 19.257 -6.946
151 HA3 GLY 23 2HA GLY 23 -3.105 20.192 -7.921
152 H LYS 24 H LYS 24 -1.951 16.985 -8.762
153 HA LYS 24 HA LYS 24 -4.192 15.583 -7.702
154 HB2 LYS 24 1HB LYS 24 -4.293 16.582 -10.503
155 HB3 LYS 24 2HB LYS 24 -4.860 14.943 -10.210
156 HG2 LYS 24 1HG LYS 24 -6.219 16.116 -8.285
157 HG3 LYS 24 2HG LYS 24 -5.998 17.534 -9.313
158 HD2 LYS 24 1HD LYS 24 -7.004 14.947 -10.445
159 HD3 LYS 24 2HD LYS 24 -8.101 16.079 -9.650
160 HE2 LYS 24 1HE LYS 24 -6.245 17.025 -11.797
161 HE3 LYS 24 2HE LYS 24 -7.752 16.215 -12.221
162 HZ1 LYS 24 3HZ LYS 24 -8.932 17.882 -10.871
163 HZ2 LYS 24 1HZ LYS 24 -8.099 18.573 -12.172
164 HZ3 LYS 24 2HZ LYS 24 -7.470 18.691 -10.606
165 H PHE 25 H PHE 25 -4.308 13.308 -8.751
166 HA PHE 25 HA PHE 25 -1.573 12.318 -8.854
167 HB2 PHE 25 1HB PHE 25 -4.247 10.956 -8.546
168 HB3 PHE 25 2HB PHE 25 -2.745 10.061 -8.749
169 HD1 PHE 25 HD1 PHE 25 -0.872 10.519 -7.059
170 HD2 PHE 25 HD2 PHE 25 -4.931 11.639 -6.440
171 HE1 PHE 25 HE1 PHE 25 -0.459 10.661 -4.637
172 HE2 PHE 25 HE2 PHE 25 -4.525 11.783 -4.017
173 HZ PHE 25 HZ PHE 25 -2.287 11.294 -3.113
174 H LEU 26 H LEU 26 -1.299 10.317 -10.359
175 HA LEU 26 HA LEU 26 -2.413 10.975 -13.006
176 HB2 LEU 26 1HB LEU 26 0.352 9.895 -12.519
177 HB3 LEU 26 2HB LEU 26 -0.320 10.492 -14.034
178 HG LEU 26 HG LEU 26 0.272 12.193 -11.613
179 HD11 LEU 26 1HD1 LEU 26 2.136 11.079 -13.224
180 HD12 LEU 26 2HD1 LEU 26 2.319 12.639 -12.422
181 HD13 LEU 26 3HD1 LEU 26 1.787 12.568 -14.102
182 HD21 LEU 26 3HD2 LEU 26 -0.022 14.041 -13.283
183 HD22 LEU 26 1HD2 LEU 26 -1.499 13.170 -12.869
184 HD23 LEU 26 2HD2 LEU 26 -0.680 12.842 -14.397
185 H CYS 27 H CYS 27 -1.550 8.552 -10.690
186 HA CYS 27 HA CYS 27 -1.853 6.315 -12.461
187 HB2 CYS 27 1HB CYS 27 -1.940 5.039 -10.230
188 HB3 CYS 27 2HB CYS 27 -0.452 5.898 -10.620
189 H CYS 28 H CYS 28 -3.884 7.975 -10.098
190 HA CYS 28 HA CYS 28 -6.170 6.375 -11.047
191 HB2 CYS 28 1HB CYS 28 -7.179 7.059 -8.766
192 HB3 CYS 28 2HB CYS 28 -5.968 5.782 -8.794
193 H GLN 29 H GLN 29 -4.874 9.525 -10.420
194 HA GLN 29 HA GLN 29 -5.591 11.622 -10.925
195 HB2 GLN 29 1HB GLN 29 -7.556 10.170 -12.704
196 HB3 GLN 29 2HB GLN 29 -7.153 11.879 -12.797
197 HG2 GLN 29 1HG GLN 29 -4.950 9.902 -13.021
198 HG3 GLN 29 2HG GLN 29 -6.044 10.098 -14.388
199 HE21 GLN 29 1HE2 GLN 29 -3.541 10.686 -14.899
200 HE22 GLN 29 2HE2 GLN 29 -3.272 12.391 -14.973
201 H GLN 30 H GLN 30 -6.581 10.575 -8.578
202 HA GLN 30 HA GLN 30 -9.433 11.113 -8.472
203 HB2 GLN 30 1HB GLN 30 -7.421 10.194 -6.426
204 HB3 GLN 30 2HB GLN 30 -9.074 10.609 -5.995
205 HG2 GLN 30 1HG GLN 30 -9.964 8.798 -7.105
206 HG3 GLN 30 2HG GLN 30 -8.567 8.630 -8.167
207 HE21 GLN 30 1HE2 GLN 30 -9.974 6.706 -6.400
208 HE22 GLN 30 2HE2 GLN 30 -8.742 6.039 -5.389
209 H SER 31 H SER 31 -10.393 12.848 -7.505
210 HA SER 31 HA SER 31 -8.755 15.207 -7.193
211 HB2 SER 31 1HB SER 31 -11.730 14.715 -7.097
212 HB3 SER 31 2HB SER 31 -11.026 16.288 -6.723
213 HG SER 31 HG SER 31 -10.868 16.617 -8.780
214 H CYS 32 H CYS 32 -7.604 14.210 -5.317
215 HA CYS 32 HA CYS 32 -8.450 15.396 -2.909
216 HB2 CYS 32 1HB CYS 32 -9.952 13.269 -3.170
217 HB3 CYS 32 2HB CYS 32 -8.501 12.406 -2.670
218 H LYS 33 H LYS 33 -6.678 15.804 -1.756
219 HA LYS 33 HA LYS 33 -4.127 15.002 -2.585
220 HB2 LYS 33 1HB LYS 33 -4.702 17.042 -1.222
221 HB3 LYS 33 2HB LYS 33 -4.864 15.986 0.174
222 HG2 LYS 33 1HG LYS 33 -2.613 15.605 0.324
223 HG3 LYS 33 2HG LYS 33 -2.336 15.902 -1.394
224 HD2 LYS 33 1HD LYS 33 -3.024 18.334 -0.837
225 HD3 LYS 33 2HD LYS 33 -2.697 17.874 0.835
226 HE2 LYS 33 1HE LYS 33 -0.433 17.466 0.396
227 HE3 LYS 33 2HE LYS 33 -0.694 17.386 -1.346
228 HZ1 LYS 33 3HZ LYS 33 -1.232 19.889 0.109
229 HZ2 LYS 33 1HZ LYS 33 -0.830 19.665 -1.520
230 HZ3 LYS 33 2HZ LYS 33 0.354 19.490 -0.325
231 H ALA 34 H ALA 34 -6.221 13.779 -0.014
232 HA ALA 34 HA ALA 34 -4.282 11.626 0.495
233 HB1 ALA 34 3HB ALA 34 -4.717 12.635 2.539
234 HB2 ALA 34 1HB ALA 34 -6.428 12.866 2.175
235 HB3 ALA 34 2HB ALA 34 -5.812 11.253 2.540
236 H ALA 35 H ALA 35 -6.029 11.658 -1.814
237 HA ALA 35 HA ALA 35 -8.359 10.249 -1.690
238 HB1 ALA 35 3HB ALA 35 -7.819 10.902 -3.823
239 HB2 ALA 35 1HB ALA 35 -6.159 10.318 -3.699
240 HB3 ALA 35 2HB ALA 35 -7.485 9.173 -3.911
241 HA PRO 36 HA PRO 36 -7.560 6.219 -0.140
242 HB2 PRO 36 1HB PRO 36 -9.388 4.762 -1.520
243 HB3 PRO 36 2HB PRO 36 -9.831 5.873 -0.218
244 HG2 PRO 36 1HG PRO 36 -9.923 6.293 -3.181
245 HG3 PRO 36 2HG PRO 36 -11.117 6.743 -1.948
246 HD2 PRO 36 1HD PRO 36 -9.370 8.523 -3.005
247 HD3 PRO 36 2HD PRO 36 -9.952 8.634 -1.331
248 H GLY 37 H GLY 37 -5.837 5.004 -0.585
249 HA2 GLY 37 1HA GLY 37 -4.351 4.771 -2.789
250 HA3 GLY 37 2HA GLY 37 -4.597 3.395 -1.724
251 H CYS 38 H CYS 38 -4.894 4.507 -4.850
252 HA CYS 38 HA CYS 38 -7.216 3.104 -5.696
253 HB2 CYS 38 1HB CYS 38 -6.397 3.518 -7.967
254 HB3 CYS 38 2HB CYS 38 -6.273 4.973 -6.982
255 H THR 39 H THR 39 -3.826 2.266 -5.396
256 HA THR 39 HA THR 39 -3.625 0.000 -6.933
257 HB THR 39 HB THR 39 -2.446 0.357 -4.170
258 HG1 THR 39 HG1 THR 39 -1.019 0.839 -6.537
259 HG21 THR 39 3HG2 THR 39 -1.964 -1.581 -6.389
260 HG22 THR 39 1HG2 THR 39 -2.004 -1.854 -4.648
261 HG23 THR 39 2HG2 THR 39 -0.607 -1.069 -5.386
262 H LEU 40 H LEU 40 -5.247 0.398 -3.853
263 HA LEU 40 HA LEU 40 -5.566 -2.025 -2.791
264 HB2 LEU 40 1HB LEU 40 -6.860 0.233 -2.419
265 HB3 LEU 40 2HB LEU 40 -8.096 -0.567 -3.386
266 HG LEU 40 HG LEU 40 -6.974 -1.573 -0.771
267 HD11 LEU 40 1HD1 LEU 40 -9.374 0.021 -1.506
268 HD12 LEU 40 2HD1 LEU 40 -8.337 0.125 -0.083
269 HD13 LEU 40 3HD1 LEU 40 -9.517 -1.177 -0.219
270 HD21 LEU 40 3HD2 LEU 40 -9.331 -2.897 -1.315
271 HD22 LEU 40 1HD2 LEU 40 -7.704 -3.555 -1.489
272 HD23 LEU 40 2HD2 LEU 40 -8.521 -2.843 -2.881
273 H TRP 41 H TRP 41 -6.255 -3.996 -3.338
274 HA TRP 41 HA TRP 41 -6.595 -4.949 -5.826
275 HB2 TRP 41 1HB TRP 41 -7.951 -5.840 -3.284
276 HB3 TRP 41 2HB TRP 41 -8.110 -6.734 -4.794
277 HD1 TRP 41 HD1 TRP 41 -6.212 -6.935 -1.779
278 HE1 TRP 41 HE1 TRP 41 -3.953 -8.119 -2.113
279 HE3 TRP 41 HE3 TRP 41 -5.916 -6.694 -6.877
280 HZ2 TRP 41 HZ2 TRP 41 -2.266 -8.854 -4.254
281 HZ3 TRP 41 HZ3 TRP 41 -3.946 -7.661 -7.990
282 HH2 TRP 41 HH2 TRP 41 -2.160 -8.719 -6.705
283 H GLU 42 H GLU 42 -9.441 -4.265 -3.780
284 HA GLU 42 HA GLU 42 -11.136 -4.151 -6.121
285 HB2 GLU 42 1HB GLU 42 -12.953 -3.746 -4.475
286 HB3 GLU 42 2HB GLU 42 -12.031 -5.207 -4.146
287 HG2 GLU 42 1HG GLU 42 -10.795 -4.067 -2.401
288 HG3 GLU 42 2HG GLU 42 -11.648 -2.565 -2.756
289 H ALA 43 H ALA 43 -11.709 -2.376 -7.191
290 HA ALA 43 HA ALA 43 -11.350 0.239 -5.885
291 HB1 ALA 43 3HB ALA 43 -9.563 0.392 -7.281
292 HB2 ALA 43 1HB ALA 43 -10.244 -0.731 -8.459
293 HB3 ALA 43 2HB ALA 43 -10.817 0.936 -8.395
294 H TYR 44 H TYR 44 -13.609 0.232 -5.461
295 HA TYR 44 HA TYR 44 -15.713 -0.258 -7.095
296 HB2 TYR 44 1HB TYR 44 -17.005 1.003 -5.666
297 HB3 TYR 44 2HB TYR 44 -15.568 0.783 -4.673
298 HD1 TYR 44 HD1 TYR 44 -17.481 3.168 -6.710
299 HD2 TYR 44 HD2 TYR 44 -14.114 2.638 -4.162
300 HE1 TYR 44 HE1 TYR 44 -17.256 5.609 -6.507
301 HE2 TYR 44 HE2 TYR 44 -13.882 5.077 -3.951
302 HH TYR 44 HH TYR 44 -16.271 7.236 -4.847
303 H SER 45 H SER 45 -16.188 0.331 -9.094
304 HA SER 45 HA SER 45 -15.012 2.727 -10.237
305 HB2 SER 45 1HB SER 45 -15.088 0.506 -11.447
306 HB3 SER 45 2HB SER 45 -16.830 0.736 -11.604
307 HG SER 45 HG SER 45 -15.656 1.487 -13.439
308 H GLY 46 H GLY 46 -16.541 3.942 -11.834
309 HA2 GLY 46 1HA GLY 46 -18.482 5.150 -12.213
310 HA3 GLY 46 2HA GLY 46 -19.285 4.180 -10.986
311 HA PRO 47 HA PRO 47 -16.980 7.693 -8.590
312 HB2 PRO 47 1HB PRO 47 -15.850 9.653 -10.090
313 HB3 PRO 47 2HB PRO 47 -14.978 8.197 -9.596
314 HG2 PRO 47 1HG PRO 47 -16.298 8.818 -12.210
315 HG3 PRO 47 2HG PRO 47 -14.726 8.057 -11.904
316 HD2 PRO 47 1HD PRO 47 -16.935 6.630 -12.548
317 HD3 PRO 47 2HD PRO 47 -15.665 5.995 -11.482
318 H SER 48 H SER 48 -17.632 9.891 -8.043
319 HA SER 48 HA SER 48 -19.691 11.075 -9.746
320 HB2 SER 48 1HB SER 48 -20.769 9.469 -8.099
321 HB3 SER 48 2HB SER 48 -20.221 10.550 -6.818
322 HG SER 48 HG SER 48 -21.622 11.670 -8.955
323 H SER 49 H SER 49 -19.865 13.268 -9.565
324 HA SER 49 HA SER 49 -17.692 14.722 -8.585
325 HB2 SER 49 1HB SER 49 -19.186 16.730 -8.924
326 HB3 SER 49 2HB SER 49 -19.048 15.667 -10.325
327 HG SER 49 HG SER 49 -21.074 14.977 -10.027
328 H GLY 50 H GLY 50 -17.286 14.222 -6.432
329 HA2 GLY 50 1HA GLY 50 -19.075 14.157 -4.324
330 HA3 GLY 50 2HA GLY 50 -17.381 14.605 -4.169
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.788 -13.493 28.397
2 HA2 GLY 1 1HA GLY 1 -8.449 -15.274 26.197
3 HA3 GLY 1 2HA GLY 1 -9.163 -13.756 25.674
4 H SER 2 H SER 2 -6.909 -14.176 24.493
5 HA SER 2 HA SER 2 -4.990 -12.452 25.899
6 HB2 SER 2 1HB SER 2 -4.317 -14.900 25.965
7 HB3 SER 2 2HB SER 2 -4.141 -14.810 24.212
8 HG SER 2 HG SER 2 -2.758 -13.227 26.121
9 H SER 3 H SER 3 -3.258 -11.663 24.300
10 HA SER 3 HA SER 3 -4.406 -11.227 21.632
11 HB2 SER 3 1HB SER 3 -4.837 -9.289 23.267
12 HB3 SER 3 2HB SER 3 -3.104 -8.983 23.168
13 HG SER 3 HG SER 3 -3.302 -8.500 21.041
14 H GLY 4 H GLY 4 -2.766 -10.233 20.121
15 HA2 GLY 4 1HA GLY 4 -0.071 -10.056 20.469
16 HA3 GLY 4 2HA GLY 4 -0.345 -11.781 20.280
17 H SER 5 H SER 5 -0.263 -8.700 18.708
18 HA SER 5 HA SER 5 -0.809 -10.009 16.125
19 HB2 SER 5 1HB SER 5 -1.097 -7.099 16.911
20 HB3 SER 5 2HB SER 5 -1.337 -7.726 15.279
21 HG SER 5 HG SER 5 -3.156 -7.529 17.075
22 H SER 6 H SER 6 0.967 -10.443 15.015
23 HA SER 6 HA SER 6 3.202 -8.524 15.130
24 HB2 SER 6 1HB SER 6 4.728 -10.474 14.787
25 HB3 SER 6 2HB SER 6 3.862 -10.527 16.323
26 HG SER 6 HG SER 6 2.286 -11.810 14.831
27 H GLY 7 H GLY 7 3.817 -7.705 13.235
28 HA2 GLY 7 1HA GLY 7 4.378 -8.653 10.864
29 HA3 GLY 7 2HA GLY 7 2.631 -8.832 10.800
30 H ASN 8 H ASN 8 1.315 -6.974 10.736
31 HA ASN 8 HA ASN 8 2.753 -4.477 10.126
32 HB2 ASN 8 1HB ASN 8 0.252 -5.490 8.756
33 HB3 ASN 8 2HB ASN 8 1.091 -3.982 8.403
34 HD21 ASN 8 1HD2 ASN 8 1.327 -7.476 8.290
35 HD22 ASN 8 2HD2 ASN 8 2.527 -7.543 7.048
36 HA PRO 9 HA PRO 9 0.205 -2.588 13.176
37 HB2 PRO 9 1HB PRO 9 0.306 -0.018 12.309
38 HB3 PRO 9 2HB PRO 9 1.671 -0.820 13.094
39 HG2 PRO 9 1HG PRO 9 1.163 -0.364 10.180
40 HG3 PRO 9 2HG PRO 9 2.671 -0.183 11.095
41 HD2 PRO 9 1HD PRO 9 2.142 -2.359 9.571
42 HD3 PRO 9 2HD PRO 9 3.113 -2.445 11.055
43 H HIS 10 H HIS 10 -0.623 -2.726 9.878
44 HA HIS 10 HA HIS 10 -3.396 -2.691 10.378
45 HB2 HIS 10 1HB HIS 10 -2.598 -0.173 10.462
46 HB3 HIS 10 2HB HIS 10 -2.660 -0.325 8.708
47 HD2 HIS 10 HD2 HIS 10 -4.815 1.687 9.561
48 HE1 HIS 10 HE1 HIS 10 -7.590 -1.511 9.830
49 HE2 HIS 10 HE2 HIS 10 -7.303 0.981 9.593
50 H LEU 11 H LEU 11 -4.653 -3.124 8.485
51 HA LEU 11 HA LEU 11 -3.089 -4.424 6.412
52 HB2 LEU 11 1HB LEU 11 -4.854 -5.748 7.194
53 HB3 LEU 11 2HB LEU 11 -5.993 -4.404 7.154
54 HG LEU 11 HG LEU 11 -5.826 -4.486 4.639
55 HD11 LEU 11 1HD1 LEU 11 -3.912 -6.559 5.336
56 HD12 LEU 11 2HD1 LEU 11 -4.153 -5.702 3.813
57 HD13 LEU 11 3HD1 LEU 11 -5.138 -7.113 4.196
58 HD21 LEU 11 3HD2 LEU 11 -7.397 -6.296 4.439
59 HD22 LEU 11 1HD2 LEU 11 -7.700 -5.440 5.950
60 HD23 LEU 11 2HD2 LEU 11 -6.856 -6.988 5.969
61 H LEU 12 H LEU 12 -5.698 -2.007 6.583
62 HA LEU 12 HA LEU 12 -5.637 -1.374 3.824
63 HB2 LEU 12 1HB LEU 12 -7.396 -0.880 5.729
64 HB3 LEU 12 2HB LEU 12 -6.505 0.637 5.840
65 HG LEU 12 HG LEU 12 -7.748 -0.372 3.288
66 HD11 LEU 12 1HD1 LEU 12 -9.733 0.144 4.140
67 HD12 LEU 12 2HD1 LEU 12 -9.192 1.821 4.210
68 HD13 LEU 12 3HD1 LEU 12 -9.005 0.775 5.618
69 HD21 LEU 12 3HD2 LEU 12 -5.827 1.385 3.399
70 HD22 LEU 12 1HD2 LEU 12 -7.106 2.469 3.949
71 HD23 LEU 12 2HD2 LEU 12 -7.234 1.681 2.376
72 H VAL 13 H VAL 13 -3.221 -1.258 3.721
73 HA VAL 13 HA VAL 13 -2.371 1.530 4.123
74 HB VAL 13 HB VAL 13 -0.584 -0.862 4.574
75 HG11 VAL 13 1HG1 VAL 13 0.079 1.722 3.889
76 HG12 VAL 13 2HG1 VAL 13 0.242 1.712 5.647
77 HG13 VAL 13 3HG1 VAL 13 1.141 0.551 4.670
78 HG21 VAL 13 3HG2 VAL 13 -1.153 0.912 6.835
79 HG22 VAL 13 1HG2 VAL 13 -2.540 -0.024 6.277
80 HG23 VAL 13 2HG2 VAL 13 -1.060 -0.848 6.768
81 H LYS 14 H LYS 14 -3.418 0.632 1.753
82 HA LYS 14 HA LYS 14 -1.522 -0.392 -0.071
83 HB2 LYS 14 1HB LYS 14 -4.140 1.031 -0.312
84 HB3 LYS 14 2HB LYS 14 -3.138 0.854 -1.747
85 HG2 LYS 14 1HG LYS 14 -4.463 -1.006 -1.896
86 HG3 LYS 14 2HG LYS 14 -3.065 -1.656 -1.036
87 HD2 LYS 14 1HD LYS 14 -4.425 -0.971 1.090
88 HD3 LYS 14 2HD LYS 14 -5.801 -1.024 -0.015
89 HE2 LYS 14 1HE LYS 14 -5.562 -3.298 -0.401
90 HE3 LYS 14 2HE LYS 14 -3.873 -3.308 0.100
91 HZ1 LYS 14 3HZ LYS 14 -5.979 -2.668 2.054
92 HZ2 LYS 14 1HZ LYS 14 -4.439 -3.318 2.317
93 HZ3 LYS 14 2HZ LYS 14 -5.663 -4.283 1.659
94 H TYR 15 H TYR 15 -1.132 1.068 -2.173
95 HA TYR 15 HA TYR 15 -0.218 3.731 -1.376
96 HB2 TYR 15 1HB TYR 15 1.989 3.363 -2.384
97 HB3 TYR 15 2HB TYR 15 1.709 2.251 -1.048
98 HD1 TYR 15 HD1 TYR 15 1.421 2.440 -4.765
99 HD2 TYR 15 HD2 TYR 15 2.113 -0.012 -1.357
100 HE1 TYR 15 HE1 TYR 15 1.944 0.546 -6.242
101 HE2 TYR 15 HE2 TYR 15 2.639 -1.913 -2.826
102 HH TYR 15 HH TYR 15 2.110 -2.629 -5.171
103 H HIS 16 H HIS 16 0.310 5.113 -3.204
104 HA HIS 16 HA HIS 16 -1.444 4.557 -5.459
105 HB2 HIS 16 1HB HIS 16 -0.043 7.020 -4.452
106 HB3 HIS 16 2HB HIS 16 -0.748 6.976 -6.065
107 HD2 HIS 16 HD2 HIS 16 -1.834 7.377 -2.389
108 HE1 HIS 16 HE1 HIS 16 -5.345 7.341 -4.770
109 HE2 HIS 16 HE2 HIS 16 -4.377 7.836 -2.499
110 H SER 17 H SER 17 -0.748 3.861 -7.366
111 HA SER 17 HA SER 17 2.082 3.514 -7.824
112 HB2 SER 17 1HB SER 17 0.459 1.751 -8.440
113 HB3 SER 17 2HB SER 17 -0.263 2.845 -9.620
114 HG SER 17 HG SER 17 1.610 1.215 -10.140
115 H GLY 18 H GLY 18 1.413 6.217 -7.668
116 HA2 GLY 18 1HA GLY 18 2.469 7.140 -10.178
117 HA3 GLY 18 2HA GLY 18 0.797 7.620 -9.926
118 H PHE 19 H PHE 19 2.174 9.723 -10.184
119 HA PHE 19 HA PHE 19 2.943 10.616 -7.482
120 HB2 PHE 19 1HB PHE 19 3.963 11.687 -10.121
121 HB3 PHE 19 2HB PHE 19 4.474 12.206 -8.518
122 HD1 PHE 19 HD2 PHE 19 5.752 10.640 -7.072
123 HD2 PHE 19 HD1 PHE 19 4.886 9.775 -11.149
124 HE1 PHE 19 HE2 PHE 19 7.520 8.927 -7.080
125 HE2 PHE 19 HE1 PHE 19 6.651 8.061 -11.163
126 HZ PHE 19 HZ PHE 19 7.972 7.636 -9.128
127 H PHE 20 H PHE 20 2.590 12.943 -7.075
128 HA PHE 20 HA PHE 20 -0.022 13.728 -8.099
129 HB2 PHE 20 1HB PHE 20 0.618 13.709 -5.616
130 HB3 PHE 20 2HB PHE 20 1.554 15.159 -5.967
131 HD1 PHE 20 HD1 PHE 20 -1.878 13.785 -6.453
132 HD2 PHE 20 HD2 PHE 20 0.543 17.204 -5.702
133 HE1 PHE 20 HE1 PHE 20 -3.904 15.153 -6.171
134 HE2 PHE 20 HE2 PHE 20 -1.479 18.577 -5.419
135 HZ PHE 20 HZ PHE 20 -3.706 17.552 -5.654
136 H VAL 21 H VAL 21 0.266 14.623 -10.090
137 HA VAL 21 HA VAL 21 2.009 16.998 -10.226
138 HB VAL 21 HB VAL 21 1.308 15.120 -12.487
139 HG11 VAL 21 1HG1 VAL 21 3.304 17.364 -12.556
140 HG12 VAL 21 2HG1 VAL 21 2.617 16.457 -13.905
141 HG13 VAL 21 3HG1 VAL 21 1.614 17.596 -13.006
142 HG21 VAL 21 3HG2 VAL 21 2.974 13.883 -11.652
143 HG22 VAL 21 1HG2 VAL 21 4.047 15.164 -12.215
144 HG23 VAL 21 2HG2 VAL 21 3.480 15.159 -10.545
145 H ASP 22 H ASP 22 1.217 18.828 -11.229
146 HA ASP 22 HA ASP 22 -0.343 20.356 -11.868
147 HB2 ASP 22 1HB ASP 22 -1.315 17.866 -13.231
148 HB3 ASP 22 2HB ASP 22 -2.262 19.347 -13.320
149 H GLY 23 H GLY 23 -0.598 19.514 -9.275
150 HA2 GLY 23 1HA GLY 23 -2.064 19.440 -7.509
151 HA3 GLY 23 2HA GLY 23 -3.128 20.376 -8.548
152 H LYS 24 H LYS 24 -2.002 17.083 -9.122
153 HA LYS 24 HA LYS 24 -4.352 15.807 -8.163
154 HB2 LYS 24 1HB LYS 24 -4.214 16.575 -11.049
155 HB3 LYS 24 2HB LYS 24 -4.956 15.041 -10.613
156 HG2 LYS 24 1HG LYS 24 -6.268 16.573 -8.905
157 HG3 LYS 24 2HG LYS 24 -5.876 17.814 -10.098
158 HD2 LYS 24 1HD LYS 24 -6.992 15.225 -11.057
159 HD3 LYS 24 2HD LYS 24 -8.084 16.373 -10.278
160 HE2 LYS 24 1HE LYS 24 -6.245 17.171 -12.517
161 HE3 LYS 24 2HE LYS 24 -7.855 16.516 -12.813
162 HZ1 LYS 24 3HZ LYS 24 -8.638 18.348 -11.248
163 HZ2 LYS 24 1HZ LYS 24 -8.150 18.808 -12.802
164 HZ3 LYS 24 2HZ LYS 24 -7.116 19.049 -11.485
165 H PHE 25 H PHE 25 -4.446 13.478 -8.944
166 HA PHE 25 HA PHE 25 -1.745 12.420 -8.882
167 HB2 PHE 25 1HB PHE 25 -4.483 11.247 -8.514
168 HB3 PHE 25 2HB PHE 25 -3.103 10.194 -8.807
169 HD1 PHE 25 HD1 PHE 25 -0.964 10.990 -7.289
170 HD2 PHE 25 HD2 PHE 25 -5.083 11.439 -6.321
171 HE1 PHE 25 HE1 PHE 25 -0.389 11.077 -4.898
172 HE2 PHE 25 HE2 PHE 25 -4.516 11.527 -3.929
173 HZ PHE 25 HZ PHE 25 -2.165 11.347 -3.215
174 H LEU 26 H LEU 26 -1.393 10.359 -10.245
175 HA LEU 26 HA LEU 26 -2.375 10.835 -12.982
176 HB2 LEU 26 1HB LEU 26 0.367 9.826 -12.256
177 HB3 LEU 26 2HB LEU 26 -0.224 10.253 -13.860
178 HG LEU 26 HG LEU 26 0.319 12.157 -11.584
179 HD11 LEU 26 1HD1 LEU 26 2.396 11.591 -12.449
180 HD12 LEU 26 2HD1 LEU 26 1.961 13.030 -13.370
181 HD13 LEU 26 3HD1 LEU 26 1.780 11.432 -14.094
182 HD21 LEU 26 3HD2 LEU 26 -1.524 13.039 -12.775
183 HD22 LEU 26 1HD2 LEU 26 -0.829 12.587 -14.332
184 HD23 LEU 26 2HD2 LEU 26 -0.099 13.881 -13.384
185 H CYS 27 H CYS 27 -1.970 8.651 -10.419
186 HA CYS 27 HA CYS 27 -2.027 6.256 -12.037
187 HB2 CYS 27 1HB CYS 27 -2.383 5.173 -9.728
188 HB3 CYS 27 2HB CYS 27 -0.840 5.965 -10.034
189 H CYS 28 H CYS 28 -4.256 8.017 -9.915
190 HA CYS 28 HA CYS 28 -6.478 6.570 -11.195
191 HB2 CYS 28 1HB CYS 28 -7.674 6.880 -8.943
192 HB3 CYS 28 2HB CYS 28 -6.438 5.630 -9.041
193 H GLN 29 H GLN 29 -5.121 9.284 -11.505
194 HA GLN 29 HA GLN 29 -5.684 11.527 -11.581
195 HB2 GLN 29 1HB GLN 29 -7.864 10.009 -12.985
196 HB3 GLN 29 2HB GLN 29 -7.860 11.767 -12.956
197 HG2 GLN 29 1HG GLN 29 -6.836 11.169 -14.974
198 HG3 GLN 29 2HG GLN 29 -5.520 11.645 -13.903
199 HE21 GLN 29 1HE2 GLN 29 -4.128 10.446 -15.297
200 HE22 GLN 29 2HE2 GLN 29 -4.016 8.729 -15.154
201 H GLN 30 H GLN 30 -6.239 10.682 -9.036
202 HA GLN 30 HA GLN 30 -8.938 11.620 -8.412
203 HB2 GLN 30 1HB GLN 30 -6.841 10.122 -6.876
204 HB3 GLN 30 2HB GLN 30 -8.148 10.937 -6.028
205 HG2 GLN 30 1HG GLN 30 -9.638 9.617 -7.747
206 HG3 GLN 30 2HG GLN 30 -8.228 8.559 -7.803
207 HE21 GLN 30 1HE2 GLN 30 -7.425 7.776 -5.704
208 HE22 GLN 30 2HE2 GLN 30 -8.579 7.418 -4.469
209 H SER 31 H SER 31 -9.329 13.596 -7.659
210 HA SER 31 HA SER 31 -7.255 15.524 -7.451
211 HB2 SER 31 1HB SER 31 -9.384 16.304 -8.176
212 HB3 SER 31 2HB SER 31 -10.198 15.599 -6.779
213 HG SER 31 HG SER 31 -9.987 17.703 -6.267
214 H CYS 32 H CYS 32 -9.117 13.678 -5.106
215 HA CYS 32 HA CYS 32 -8.559 14.982 -2.759
216 HB2 CYS 32 1HB CYS 32 -9.837 12.722 -3.290
217 HB3 CYS 32 2HB CYS 32 -8.311 12.007 -2.780
218 H LYS 33 H LYS 33 -6.970 14.630 -1.096
219 HA LYS 33 HA LYS 33 -4.299 14.270 -2.225
220 HB2 LYS 33 1HB LYS 33 -4.895 16.306 -0.871
221 HB3 LYS 33 2HB LYS 33 -5.045 15.255 0.532
222 HG2 LYS 33 1HG LYS 33 -2.736 14.711 0.476
223 HG3 LYS 33 2HG LYS 33 -2.530 15.476 -1.101
224 HD2 LYS 33 1HD LYS 33 -3.547 17.120 1.167
225 HD3 LYS 33 2HD LYS 33 -1.831 16.712 1.119
226 HE2 LYS 33 1HE LYS 33 -1.913 18.732 -0.019
227 HE3 LYS 33 2HE LYS 33 -1.941 17.547 -1.324
228 HZ1 LYS 33 3HZ LYS 33 -4.568 18.170 -0.416
229 HZ2 LYS 33 1HZ LYS 33 -3.922 18.261 -1.977
230 HZ3 LYS 33 2HZ LYS 33 -3.748 19.563 -0.914
231 H ALA 34 H ALA 34 -6.338 13.050 0.398
232 HA ALA 34 HA ALA 34 -4.365 10.938 0.920
233 HB1 ALA 34 3HB ALA 34 -6.027 10.537 2.909
234 HB2 ALA 34 1HB ALA 34 -4.842 11.842 2.973
235 HB3 ALA 34 2HB ALA 34 -6.519 12.193 2.553
236 H ALA 35 H ALA 35 -6.204 11.006 -1.395
237 HA ALA 35 HA ALA 35 -8.434 9.453 -1.263
238 HB1 ALA 35 3HB ALA 35 -8.282 9.715 -3.460
239 HB2 ALA 35 1HB ALA 35 -6.604 10.230 -3.294
240 HB3 ALA 35 2HB ALA 35 -6.986 8.521 -3.514
241 HA PRO 36 HA PRO 36 -7.350 5.425 0.111
242 HB2 PRO 36 1HB PRO 36 -9.161 3.921 -1.241
243 HB3 PRO 36 2HB PRO 36 -9.600 4.961 0.120
244 HG2 PRO 36 1HG PRO 36 -9.852 5.479 -2.817
245 HG3 PRO 36 2HG PRO 36 -11.008 5.821 -1.518
246 HD2 PRO 36 1HD PRO 36 -9.409 7.728 -2.583
247 HD3 PRO 36 2HD PRO 36 -9.917 7.748 -0.882
248 H GLY 37 H GLY 37 -5.728 4.105 -0.424
249 HA2 GLY 37 1HA GLY 37 -4.209 4.076 -2.625
250 HA3 GLY 37 2HA GLY 37 -4.500 2.603 -1.710
251 H CYS 38 H CYS 38 -4.853 4.142 -4.686
252 HA CYS 38 HA CYS 38 -7.151 2.847 -5.697
253 HB2 CYS 38 1HB CYS 38 -6.254 3.456 -7.921
254 HB3 CYS 38 2HB CYS 38 -6.226 4.810 -6.796
255 H THR 39 H THR 39 -3.752 1.947 -5.570
256 HA THR 39 HA THR 39 -4.019 -0.358 -7.236
257 HB THR 39 HB THR 39 -1.848 0.196 -5.208
258 HG1 THR 39 HG1 THR 39 -1.580 0.767 -7.949
259 HG21 THR 39 3HG2 THR 39 -0.569 -1.106 -7.091
260 HG22 THR 39 1HG2 THR 39 -2.176 -1.717 -7.478
261 HG23 THR 39 2HG2 THR 39 -1.495 -1.984 -5.874
262 H LEU 40 H LEU 40 -5.017 -2.177 -6.707
263 HA LEU 40 HA LEU 40 -5.170 -2.930 -3.864
264 HB2 LEU 40 1HB LEU 40 -7.309 -2.437 -5.107
265 HB3 LEU 40 2HB LEU 40 -6.980 -3.871 -6.077
266 HG LEU 40 HG LEU 40 -7.064 -5.230 -3.998
267 HD11 LEU 40 1HD1 LEU 40 -8.503 -3.641 -2.259
268 HD12 LEU 40 2HD1 LEU 40 -7.199 -2.590 -2.808
269 HD13 LEU 40 3HD1 LEU 40 -6.823 -4.147 -2.071
270 HD21 LEU 40 3HD2 LEU 40 -9.032 -4.762 -5.551
271 HD22 LEU 40 1HD2 LEU 40 -9.596 -3.646 -4.308
272 HD23 LEU 40 2HD2 LEU 40 -9.405 -5.360 -3.933
273 H TRP 41 H TRP 41 -5.237 -5.286 -3.440
274 HA TRP 41 HA TRP 41 -3.176 -6.613 -5.016
275 HB2 TRP 41 1HB TRP 41 -3.207 -8.281 -3.146
276 HB3 TRP 41 2HB TRP 41 -2.824 -6.639 -2.639
277 HD1 TRP 41 HD1 TRP 41 -4.798 -5.292 -1.310
278 HE1 TRP 41 HE1 TRP 41 -6.700 -6.180 0.178
279 HE3 TRP 41 HE3 TRP 41 -4.789 -10.179 -2.813
280 HZ2 TRP 41 HZ2 TRP 41 -8.022 -8.628 0.654
281 HZ3 TRP 41 HZ3 TRP 41 -6.405 -11.728 -1.790
282 HH2 TRP 41 HH2 TRP 41 -7.986 -10.969 -0.093
283 H GLU 42 H GLU 42 -4.042 -7.502 -6.815
284 HA GLU 42 HA GLU 42 -5.881 -9.716 -6.443
285 HB2 GLU 42 1HB GLU 42 -7.456 -8.964 -8.139
286 HB3 GLU 42 2HB GLU 42 -7.376 -7.800 -6.824
287 HG2 GLU 42 1HG GLU 42 -5.834 -6.431 -8.200
288 HG3 GLU 42 2HG GLU 42 -6.083 -7.560 -9.530
289 H ALA 43 H ALA 43 -5.231 -11.378 -7.638
290 HA ALA 43 HA ALA 43 -2.975 -11.413 -9.210
291 HB1 ALA 43 3HB ALA 43 -5.370 -13.219 -9.153
292 HB2 ALA 43 1HB ALA 43 -3.997 -13.530 -10.215
293 HB3 ALA 43 2HB ALA 43 -3.769 -13.484 -8.466
294 H TYR 44 H TYR 44 -6.315 -11.537 -10.470
295 HA TYR 44 HA TYR 44 -5.506 -11.043 -13.151
296 HB2 TYR 44 1HB TYR 44 -7.527 -12.137 -13.113
297 HB3 TYR 44 2HB TYR 44 -8.102 -11.254 -11.703
298 HD1 TYR 44 HD1 TYR 44 -7.223 -10.646 -15.285
299 HD2 TYR 44 HD2 TYR 44 -9.758 -9.674 -12.010
300 HE1 TYR 44 HE1 TYR 44 -8.545 -9.181 -16.753
301 HE2 TYR 44 HE2 TYR 44 -11.088 -8.208 -13.468
302 HH TYR 44 HH TYR 44 -10.157 -7.625 -16.832
303 H SER 45 H SER 45 -4.791 -9.182 -13.921
304 HA SER 45 HA SER 45 -5.880 -6.680 -12.804
305 HB2 SER 45 1HB SER 45 -3.087 -7.335 -13.738
306 HB3 SER 45 2HB SER 45 -3.652 -5.675 -13.552
307 HG SER 45 HG SER 45 -2.560 -6.636 -11.684
308 H GLY 46 H GLY 46 -4.478 -8.172 -15.712
309 HA2 GLY 46 1HA GLY 46 -6.437 -7.330 -17.480
310 HA3 GLY 46 2HA GLY 46 -5.226 -6.056 -17.459
311 HA PRO 47 HA PRO 47 -2.961 -10.001 -19.105
312 HB2 PRO 47 1HB PRO 47 -4.512 -12.169 -19.624
313 HB3 PRO 47 2HB PRO 47 -3.741 -11.892 -18.058
314 HG2 PRO 47 1HG PRO 47 -6.562 -11.355 -18.901
315 HG3 PRO 47 2HG PRO 47 -5.962 -12.065 -17.391
316 HD2 PRO 47 1HD PRO 47 -6.729 -9.475 -17.578
317 HD3 PRO 47 2HD PRO 47 -5.435 -10.011 -16.487
318 H SER 48 H SER 48 -6.344 -9.946 -20.242
319 HA SER 48 HA SER 48 -5.413 -9.998 -23.009
320 HB2 SER 48 1HB SER 48 -7.418 -11.360 -21.984
321 HB3 SER 48 2HB SER 48 -8.309 -9.863 -22.256
322 HG SER 48 HG SER 48 -7.623 -11.743 -24.027
323 H SER 49 H SER 49 -4.805 -8.069 -23.760
324 HA SER 49 HA SER 49 -5.977 -5.615 -22.841
325 HB2 SER 49 1HB SER 49 -3.556 -5.953 -23.593
326 HB3 SER 49 2HB SER 49 -4.177 -5.927 -25.244
327 HG SER 49 HG SER 49 -5.241 -3.850 -24.308
328 H GLY 50 H GLY 50 -8.167 -5.749 -23.388
329 HA2 GLY 50 1HA GLY 50 -9.134 -4.495 -25.548
330 HA3 GLY 50 2HA GLY 50 -8.917 -6.124 -26.171
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -12.553 -24.913 9.811
2 HA2 GLY 1 1HA GLY 1 -11.839 -22.502 11.213
3 HA3 GLY 1 2HA GLY 1 -11.481 -22.879 9.534
4 H SER 2 H SER 2 -14.228 -22.044 11.638
5 HA SER 2 HA SER 2 -15.840 -21.093 9.493
6 HB2 SER 2 1HB SER 2 -16.012 -20.812 12.491
7 HB3 SER 2 2HB SER 2 -17.179 -20.047 11.414
8 HG SER 2 HG SER 2 -16.679 -22.792 11.825
9 H SER 3 H SER 3 -14.043 -19.414 12.072
10 HA SER 3 HA SER 3 -14.475 -16.845 10.827
11 HB2 SER 3 1HB SER 3 -14.390 -17.112 13.298
12 HB3 SER 3 2HB SER 3 -12.689 -17.560 13.165
13 HG SER 3 HG SER 3 -13.450 -15.186 11.943
14 H GLY 4 H GLY 4 -12.870 -15.492 9.956
15 HA2 GLY 4 1HA GLY 4 -10.554 -16.973 8.893
16 HA3 GLY 4 2HA GLY 4 -11.297 -15.576 8.128
17 H SER 5 H SER 5 -8.636 -16.556 9.738
18 HA SER 5 HA SER 5 -8.153 -13.869 10.853
19 HB2 SER 5 1HB SER 5 -8.230 -15.483 12.659
20 HB3 SER 5 2HB SER 5 -7.096 -16.538 11.815
21 HG SER 5 HG SER 5 -5.482 -15.068 12.153
22 H SER 6 H SER 6 -6.061 -12.990 10.600
23 HA SER 6 HA SER 6 -4.498 -14.233 8.432
24 HB2 SER 6 1HB SER 6 -5.734 -11.992 8.008
25 HB3 SER 6 2HB SER 6 -4.472 -11.280 9.013
26 HG SER 6 HG SER 6 -3.123 -11.474 7.416
27 H GLY 7 H GLY 7 -2.495 -14.825 8.929
28 HA2 GLY 7 1HA GLY 7 -1.347 -13.876 11.458
29 HA3 GLY 7 2HA GLY 7 -0.849 -15.311 10.575
30 H ASN 8 H ASN 8 -0.891 -11.767 10.348
31 HA ASN 8 HA ASN 8 1.854 -11.791 9.435
32 HB2 ASN 8 1HB ASN 8 -0.328 -10.607 7.703
33 HB3 ASN 8 2HB ASN 8 1.404 -10.472 7.407
34 HD21 ASN 8 1HD2 ASN 8 2.416 -12.047 6.332
35 HD22 ASN 8 2HD2 ASN 8 1.680 -13.525 5.821
36 HA PRO 9 HA PRO 9 1.985 -8.045 11.726
37 HB2 PRO 9 1HB PRO 9 4.088 -6.813 10.529
38 HB3 PRO 9 2HB PRO 9 4.274 -8.205 11.602
39 HG2 PRO 9 1HG PRO 9 4.250 -8.109 8.610
40 HG3 PRO 9 2HG PRO 9 5.318 -9.023 9.691
41 HD2 PRO 9 1HD PRO 9 3.206 -10.155 8.430
42 HD3 PRO 9 2HD PRO 9 3.757 -10.684 10.032
43 H HIS 10 H HIS 10 1.056 -8.169 8.515
44 HA HIS 10 HA HIS 10 0.222 -5.351 8.591
45 HB2 HIS 10 1HB HIS 10 1.338 -6.807 6.184
46 HB3 HIS 10 2HB HIS 10 0.626 -5.196 6.149
47 HD2 HIS 10 HD2 HIS 10 2.165 -3.612 8.392
48 HE1 HIS 10 HE1 HIS 10 5.744 -5.238 6.795
49 HE2 HIS 10 HE2 HIS 10 4.748 -3.500 8.322
50 H LEU 11 H LEU 11 -1.869 -5.019 8.136
51 HA LEU 11 HA LEU 11 -3.405 -7.289 7.052
52 HB2 LEU 11 1HB LEU 11 -5.297 -6.538 8.347
53 HB3 LEU 11 2HB LEU 11 -3.908 -6.798 9.399
54 HG LEU 11 HG LEU 11 -4.695 -4.068 8.408
55 HD11 LEU 11 1HD1 LEU 11 -6.285 -5.634 10.024
56 HD12 LEU 11 2HD1 LEU 11 -6.319 -3.875 9.918
57 HD13 LEU 11 3HD1 LEU 11 -5.361 -4.664 11.171
58 HD21 LEU 11 3HD2 LEU 11 -3.507 -3.954 10.921
59 HD22 LEU 11 1HD2 LEU 11 -2.765 -3.535 9.377
60 HD23 LEU 11 2HD2 LEU 11 -2.572 -5.160 10.035
61 H LEU 12 H LEU 12 -3.165 -3.756 7.176
62 HA LEU 12 HA LEU 12 -4.418 -3.659 4.521
63 HB2 LEU 12 1HB LEU 12 -6.191 -2.952 5.848
64 HB3 LEU 12 2HB LEU 12 -5.135 -2.091 6.965
65 HG LEU 12 HG LEU 12 -4.711 -0.444 5.089
66 HD11 LEU 12 1HD1 LEU 12 -6.989 -1.998 3.886
67 HD12 LEU 12 2HD1 LEU 12 -5.404 -1.674 3.183
68 HD13 LEU 12 3HD1 LEU 12 -6.562 -0.360 3.392
69 HD21 LEU 12 3HD2 LEU 12 -6.283 -0.147 7.049
70 HD22 LEU 12 1HD2 LEU 12 -7.589 -0.595 5.950
71 HD23 LEU 12 2HD2 LEU 12 -6.618 0.841 5.627
72 H VAL 13 H VAL 13 -2.710 -3.118 3.297
73 HA VAL 13 HA VAL 13 -1.386 -0.574 3.879
74 HB VAL 13 HB VAL 13 0.782 -1.754 3.002
75 HG11 VAL 13 1HG1 VAL 13 0.011 -2.403 5.825
76 HG12 VAL 13 2HG1 VAL 13 1.569 -1.869 5.191
77 HG13 VAL 13 3HG1 VAL 13 0.225 -0.733 5.299
78 HG21 VAL 13 3HG2 VAL 13 -0.767 -3.924 2.846
79 HG22 VAL 13 1HG2 VAL 13 0.963 -4.009 3.174
80 HG23 VAL 13 2HG2 VAL 13 -0.191 -4.114 4.503
81 H LYS 14 H LYS 14 -1.982 0.593 2.166
82 HA LYS 14 HA LYS 14 -1.496 -0.542 -0.506
83 HB2 LYS 14 1HB LYS 14 -3.814 1.239 0.267
84 HB3 LYS 14 2HB LYS 14 -3.470 0.641 -1.350
85 HG2 LYS 14 1HG LYS 14 -3.966 -1.210 0.959
86 HG3 LYS 14 2HG LYS 14 -5.277 -0.553 -0.024
87 HD2 LYS 14 1HD LYS 14 -4.559 -1.672 -1.941
88 HD3 LYS 14 2HD LYS 14 -2.936 -1.929 -1.298
89 HE2 LYS 14 1HE LYS 14 -5.231 -3.148 0.147
90 HE3 LYS 14 2HE LYS 14 -4.736 -3.871 -1.383
91 HZ1 LYS 14 3HZ LYS 14 -3.653 -4.469 0.993
92 HZ2 LYS 14 1HZ LYS 14 -2.571 -3.290 0.445
93 HZ3 LYS 14 2HZ LYS 14 -2.860 -4.670 -0.488
94 H TYR 15 H TYR 15 -1.387 1.234 -2.201
95 HA TYR 15 HA TYR 15 -0.546 3.833 -1.258
96 HB2 TYR 15 1HB TYR 15 1.698 3.740 -1.775
97 HB3 TYR 15 2HB TYR 15 1.442 2.103 -1.182
98 HD1 TYR 15 HD2 TYR 15 0.357 0.608 -3.319
99 HD2 TYR 15 HD1 TYR 15 3.196 3.771 -3.523
100 HE1 TYR 15 HE2 TYR 15 1.203 -0.297 -5.443
101 HE2 TYR 15 HE1 TYR 15 4.049 2.874 -5.648
102 HH TYR 15 HH TYR 15 2.413 0.489 -7.425
103 H HIS 16 H HIS 16 0.383 5.097 -3.266
104 HA HIS 16 HA HIS 16 -1.490 4.590 -5.473
105 HB2 HIS 16 1HB HIS 16 -0.224 7.093 -4.394
106 HB3 HIS 16 2HB HIS 16 -0.874 7.049 -6.030
107 HD2 HIS 16 HD2 HIS 16 -2.069 7.618 -2.469
108 HE1 HIS 16 HE1 HIS 16 -5.541 6.987 -4.823
109 HE2 HIS 16 HE2 HIS 16 -4.643 7.819 -2.622
110 H SER 17 H SER 17 -0.622 3.630 -7.180
111 HA SER 17 HA SER 17 2.216 3.665 -7.658
112 HB2 SER 17 1HB SER 17 0.881 1.638 -8.088
113 HB3 SER 17 2HB SER 17 -0.026 2.502 -9.330
114 HG SER 17 HG SER 17 2.104 2.844 -10.340
115 H GLY 18 H GLY 18 1.316 6.252 -7.745
116 HA2 GLY 18 1HA GLY 18 2.163 7.043 -10.371
117 HA3 GLY 18 2HA GLY 18 0.459 7.368 -10.091
118 H PHE 19 H PHE 19 2.717 9.213 -10.526
119 HA PHE 19 HA PHE 19 3.288 10.497 -8.038
120 HB2 PHE 19 1HB PHE 19 3.552 11.612 -10.838
121 HB3 PHE 19 2HB PHE 19 4.335 12.229 -9.386
122 HD1 PHE 19 HD2 PHE 19 6.181 11.005 -8.355
123 HD2 PHE 19 HD1 PHE 19 4.379 9.678 -11.976
124 HE1 PHE 19 HE2 PHE 19 8.109 9.535 -8.772
125 HE2 PHE 19 HE1 PHE 19 6.304 8.204 -12.398
126 HZ PHE 19 HZ PHE 19 8.173 8.133 -10.796
127 H PHE 20 H PHE 20 2.865 13.036 -8.061
128 HA PHE 20 HA PHE 20 0.036 13.496 -8.717
129 HB2 PHE 20 1HB PHE 20 0.294 12.947 -6.301
130 HB3 PHE 20 2HB PHE 20 1.368 14.331 -6.133
131 HD1 PHE 20 HD1 PHE 20 -2.091 13.352 -7.025
132 HD2 PHE 20 HD2 PHE 20 0.514 16.476 -5.769
133 HE1 PHE 20 HE1 PHE 20 -4.035 14.802 -6.608
134 HE2 PHE 20 HE2 PHE 20 -1.426 17.929 -5.349
135 HZ PHE 20 HZ PHE 20 -3.705 17.093 -5.768
136 H VAL 21 H VAL 21 0.346 14.880 -10.391
137 HA VAL 21 HA VAL 21 1.905 17.320 -9.835
138 HB VAL 21 HB VAL 21 2.437 17.524 -12.150
139 HG11 VAL 21 1HG1 VAL 21 3.046 15.064 -10.711
140 HG12 VAL 21 2HG1 VAL 21 3.227 14.911 -12.460
141 HG13 VAL 21 3HG1 VAL 21 4.115 16.159 -11.587
142 HG21 VAL 21 3HG2 VAL 21 0.081 16.060 -12.552
143 HG22 VAL 21 1HG2 VAL 21 1.153 16.730 -13.782
144 HG23 VAL 21 2HG2 VAL 21 1.381 15.073 -13.219
145 H ASP 22 H ASP 22 1.093 19.303 -10.670
146 HA ASP 22 HA ASP 22 -0.574 20.851 -10.853
147 HB2 ASP 22 1HB ASP 22 -1.875 18.874 -12.722
148 HB3 ASP 22 2HB ASP 22 -1.957 20.632 -12.777
149 H GLY 23 H GLY 23 -0.917 19.427 -8.577
150 HA2 GLY 23 1HA GLY 23 -2.463 18.796 -6.999
151 HA3 GLY 23 2HA GLY 23 -3.546 19.884 -7.857
152 H LYS 24 H LYS 24 -2.171 17.061 -9.382
153 HA LYS 24 HA LYS 24 -4.654 15.563 -9.009
154 HB2 LYS 24 1HB LYS 24 -4.726 16.981 -11.141
155 HB3 LYS 24 2HB LYS 24 -3.475 15.911 -11.760
156 HG2 LYS 24 1HG LYS 24 -5.323 14.880 -12.594
157 HG3 LYS 24 2HG LYS 24 -5.190 14.044 -11.045
158 HD2 LYS 24 1HD LYS 24 -7.015 15.100 -10.163
159 HD3 LYS 24 2HD LYS 24 -6.780 16.553 -11.138
160 HE2 LYS 24 1HE LYS 24 -7.365 14.927 -13.116
161 HE3 LYS 24 2HE LYS 24 -8.129 13.986 -11.835
162 HZ1 LYS 24 3HZ LYS 24 -9.873 15.313 -12.090
163 HZ2 LYS 24 1HZ LYS 24 -9.025 16.379 -13.094
164 HZ3 LYS 24 2HZ LYS 24 -8.957 16.565 -11.414
165 H PHE 25 H PHE 25 -4.467 13.310 -9.454
166 HA PHE 25 HA PHE 25 -1.761 12.324 -9.038
167 HB2 PHE 25 1HB PHE 25 -4.505 11.240 -8.653
168 HB3 PHE 25 2HB PHE 25 -3.218 10.082 -8.974
169 HD1 PHE 25 HD1 PHE 25 -0.951 10.903 -7.558
170 HD2 PHE 25 HD2 PHE 25 -5.031 11.351 -6.432
171 HE1 PHE 25 HE1 PHE 25 -0.285 10.984 -5.191
172 HE2 PHE 25 HE2 PHE 25 -4.372 11.435 -4.063
173 HZ PHE 25 HZ PHE 25 -1.996 11.252 -3.440
174 H LEU 26 H LEU 26 -1.057 10.354 -10.220
175 HA LEU 26 HA LEU 26 -1.798 10.573 -13.058
176 HB2 LEU 26 1HB LEU 26 0.751 9.825 -11.673
177 HB3 LEU 26 2HB LEU 26 0.456 9.355 -13.346
178 HG LEU 26 HG LEU 26 0.095 11.841 -13.804
179 HD11 LEU 26 1HD1 LEU 26 0.731 13.432 -12.279
180 HD12 LEU 26 2HD1 LEU 26 1.756 12.316 -11.376
181 HD13 LEU 26 3HD1 LEU 26 0.001 12.226 -11.218
182 HD21 LEU 26 3HD2 LEU 26 2.298 10.244 -13.946
183 HD22 LEU 26 1HD2 LEU 26 2.896 11.596 -12.983
184 HD23 LEU 26 2HD2 LEU 26 2.198 11.889 -14.577
185 H CYS 27 H CYS 27 -1.906 8.539 -10.342
186 HA CYS 27 HA CYS 27 -2.051 6.075 -11.879
187 HB2 CYS 27 1HB CYS 27 -2.581 5.121 -9.540
188 HB3 CYS 27 2HB CYS 27 -0.958 5.739 -9.834
189 H CYS 28 H CYS 28 -4.177 8.014 -9.790
190 HA CYS 28 HA CYS 28 -6.479 6.849 -11.202
191 HB2 CYS 28 1HB CYS 28 -7.738 6.928 -9.039
192 HB3 CYS 28 2HB CYS 28 -6.429 5.752 -9.063
193 H GLN 29 H GLN 29 -4.846 9.476 -11.120
194 HA GLN 29 HA GLN 29 -5.235 11.753 -10.976
195 HB2 GLN 29 1HB GLN 29 -7.335 10.564 -12.759
196 HB3 GLN 29 2HB GLN 29 -7.272 12.301 -12.497
197 HG2 GLN 29 1HG GLN 29 -6.075 11.890 -14.477
198 HG3 GLN 29 2HG GLN 29 -4.868 12.212 -13.234
199 HE21 GLN 29 1HE2 GLN 29 -3.268 11.130 -14.375
200 HE22 GLN 29 2HE2 GLN 29 -3.231 9.407 -14.503
201 H GLN 30 H GLN 30 -6.247 10.470 -8.663
202 HA GLN 30 HA GLN 30 -8.900 11.469 -8.149
203 HB2 GLN 30 1HB GLN 30 -6.873 9.891 -6.650
204 HB3 GLN 30 2HB GLN 30 -8.062 10.780 -5.707
205 HG2 GLN 30 1HG GLN 30 -9.734 9.623 -7.394
206 HG3 GLN 30 2HG GLN 30 -8.419 8.454 -7.509
207 HE21 GLN 30 1HE2 GLN 30 -8.249 6.952 -5.984
208 HE22 GLN 30 2HE2 GLN 30 -9.137 6.924 -4.502
209 H SER 31 H SER 31 -9.018 13.650 -8.157
210 HA SER 31 HA SER 31 -7.212 15.556 -7.542
211 HB2 SER 31 1HB SER 31 -9.069 17.030 -6.911
212 HB3 SER 31 2HB SER 31 -9.504 16.044 -8.306
213 HG SER 31 HG SER 31 -10.405 15.879 -5.652
214 H CYS 32 H CYS 32 -9.088 13.683 -5.217
215 HA CYS 32 HA CYS 32 -8.301 15.096 -2.905
216 HB2 CYS 32 1HB CYS 32 -9.344 12.309 -3.369
217 HB3 CYS 32 2HB CYS 32 -8.898 12.865 -1.759
218 H LYS 33 H LYS 33 -6.390 15.212 -1.949
219 HA LYS 33 HA LYS 33 -4.142 13.739 -2.842
220 HB2 LYS 33 1HB LYS 33 -4.151 16.053 -1.793
221 HB3 LYS 33 2HB LYS 33 -4.344 15.252 -0.240
222 HG2 LYS 33 1HG LYS 33 -2.074 15.550 -0.319
223 HG3 LYS 33 2HG LYS 33 -2.228 13.921 -0.980
224 HD2 LYS 33 1HD LYS 33 -1.789 14.620 -3.145
225 HD3 LYS 33 2HD LYS 33 -2.261 16.287 -2.810
226 HE2 LYS 33 1HE LYS 33 0.152 14.999 -1.559
227 HE3 LYS 33 2HE LYS 33 0.221 15.838 -3.108
228 HZ1 LYS 33 3HZ LYS 33 -1.099 17.493 -1.285
229 HZ2 LYS 33 1HZ LYS 33 0.405 17.740 -2.020
230 HZ3 LYS 33 2HZ LYS 33 0.311 16.937 -0.533
231 H ALA 34 H ALA 34 -6.082 13.577 0.131
232 HA ALA 34 HA ALA 34 -4.623 11.258 1.067
233 HB1 ALA 34 3HB ALA 34 -5.732 11.510 3.076
234 HB2 ALA 34 1HB ALA 34 -5.664 13.171 2.484
235 HB3 ALA 34 2HB ALA 34 -7.151 12.236 2.322
236 H ALA 35 H ALA 35 -5.841 10.827 -1.425
237 HA ALA 35 HA ALA 35 -8.336 9.463 -1.122
238 HB1 ALA 35 3HB ALA 35 -7.965 10.351 -3.253
239 HB2 ALA 35 1HB ALA 35 -6.340 9.672 -3.353
240 HB3 ALA 35 2HB ALA 35 -7.748 8.613 -3.462
241 HA PRO 36 HA PRO 36 -6.993 5.486 0.176
242 HB2 PRO 36 1HB PRO 36 -8.872 3.919 -1.001
243 HB3 PRO 36 2HB PRO 36 -9.217 4.950 0.394
244 HG2 PRO 36 1HG PRO 36 -9.755 5.447 -2.510
245 HG3 PRO 36 2HG PRO 36 -10.798 5.758 -1.109
246 HD2 PRO 36 1HD PRO 36 -9.364 7.710 -2.321
247 HD3 PRO 36 2HD PRO 36 -9.713 7.722 -0.581
248 H GLY 37 H GLY 37 -5.359 4.256 -0.512
249 HA2 GLY 37 1HA GLY 37 -4.065 4.253 -2.845
250 HA3 GLY 37 2HA GLY 37 -4.212 2.779 -1.900
251 H CYS 38 H CYS 38 -4.961 4.318 -4.820
252 HA CYS 38 HA CYS 38 -7.286 3.016 -5.640
253 HB2 CYS 38 1HB CYS 38 -6.425 3.413 -7.965
254 HB3 CYS 38 2HB CYS 38 -6.429 4.843 -6.938
255 H THR 39 H THR 39 -3.930 1.959 -5.686
256 HA THR 39 HA THR 39 -4.404 -0.409 -7.204
257 HB THR 39 HB THR 39 -2.167 0.664 -7.026
258 HG1 THR 39 HG1 THR 39 -1.249 -1.254 -7.308
259 HG21 THR 39 3HG2 THR 39 -2.582 0.859 -4.396
260 HG22 THR 39 1HG2 THR 39 -0.966 0.804 -5.095
261 HG23 THR 39 2HG2 THR 39 -1.682 -0.656 -4.414
262 H LEU 40 H LEU 40 -3.959 -2.611 -6.318
263 HA LEU 40 HA LEU 40 -4.379 -3.094 -3.529
264 HB2 LEU 40 1HB LEU 40 -6.677 -2.549 -4.708
265 HB3 LEU 40 2HB LEU 40 -6.547 -4.228 -5.225
266 HG LEU 40 HG LEU 40 -6.454 -3.359 -2.340
267 HD11 LEU 40 1HD1 LEU 40 -8.839 -4.661 -2.724
268 HD12 LEU 40 2HD1 LEU 40 -8.709 -3.647 -4.160
269 HD13 LEU 40 3HD1 LEU 40 -8.630 -2.918 -2.557
270 HD21 LEU 40 3HD2 LEU 40 -5.440 -5.490 -2.641
271 HD22 LEU 40 1HD2 LEU 40 -6.732 -6.022 -3.719
272 HD23 LEU 40 2HD2 LEU 40 -7.061 -5.772 -2.005
273 H TRP 41 H TRP 41 -3.484 -4.987 -2.994
274 HA TRP 41 HA TRP 41 -1.959 -6.507 -4.669
275 HB2 TRP 41 1HB TRP 41 -1.991 -6.618 -2.160
276 HB3 TRP 41 2HB TRP 41 -3.431 -7.626 -2.278
277 HD1 TRP 41 HD1 TRP 41 -2.575 -9.589 -4.579
278 HE1 TRP 41 HE1 TRP 41 -0.705 -11.312 -4.182
279 HE3 TRP 41 HE3 TRP 41 -0.215 -7.336 -0.642
280 HZ2 TRP 41 HZ2 TRP 41 1.480 -11.671 -2.431
281 HZ3 TRP 41 HZ3 TRP 41 1.757 -8.435 0.336
282 HH2 TRP 41 HH2 TRP 41 2.585 -10.557 -0.541
283 H GLU 42 H GLU 42 -5.199 -7.478 -3.522
284 HA GLU 42 HA GLU 42 -5.365 -9.457 -5.643
285 HB2 GLU 42 1HB GLU 42 -7.353 -8.760 -3.474
286 HB3 GLU 42 2HB GLU 42 -7.457 -10.138 -4.561
287 HG2 GLU 42 1HG GLU 42 -5.540 -11.152 -3.587
288 HG3 GLU 42 2HG GLU 42 -5.178 -9.702 -2.651
289 H ALA 43 H ALA 43 -5.981 -8.810 -7.593
290 HA ALA 43 HA ALA 43 -8.179 -6.855 -7.788
291 HB1 ALA 43 3HB ALA 43 -6.865 -6.549 -10.153
292 HB2 ALA 43 1HB ALA 43 -6.656 -5.516 -8.740
293 HB3 ALA 43 2HB ALA 43 -5.532 -6.841 -9.038
294 H TYR 44 H TYR 44 -9.751 -7.229 -9.323
295 HA TYR 44 HA TYR 44 -9.964 -9.964 -10.240
296 HB2 TYR 44 1HB TYR 44 -11.843 -7.605 -10.333
297 HB3 TYR 44 2HB TYR 44 -12.225 -9.155 -11.076
298 HD1 TYR 44 HD1 TYR 44 -10.853 -7.996 -7.788
299 HD2 TYR 44 HD2 TYR 44 -13.650 -10.465 -9.836
300 HE1 TYR 44 HE1 TYR 44 -11.705 -8.812 -5.630
301 HE2 TYR 44 HE2 TYR 44 -14.510 -11.286 -7.683
302 HH TYR 44 HH TYR 44 -13.961 -9.817 -4.802
303 H SER 45 H SER 45 -7.861 -8.674 -11.493
304 HA SER 45 HA SER 45 -8.364 -7.411 -13.905
305 HB2 SER 45 1HB SER 45 -6.113 -7.507 -13.149
306 HB3 SER 45 2HB SER 45 -6.138 -9.269 -13.065
307 HG SER 45 HG SER 45 -6.631 -8.052 -15.533
308 H GLY 46 H GLY 46 -9.763 -8.079 -15.402
309 HA2 GLY 46 1HA GLY 46 -9.293 -10.498 -16.845
310 HA3 GLY 46 2HA GLY 46 -10.721 -10.629 -15.829
311 HA PRO 47 HA PRO 47 -13.082 -8.845 -19.070
312 HB2 PRO 47 1HB PRO 47 -15.145 -7.817 -17.634
313 HB3 PRO 47 2HB PRO 47 -14.939 -9.550 -17.916
314 HG2 PRO 47 1HG PRO 47 -14.222 -7.924 -15.507
315 HG3 PRO 47 2HG PRO 47 -14.991 -9.520 -15.591
316 HD2 PRO 47 1HD PRO 47 -12.357 -9.198 -15.051
317 HD3 PRO 47 2HD PRO 47 -12.986 -10.607 -15.929
318 H SER 48 H SER 48 -11.477 -7.212 -19.589
319 HA SER 48 HA SER 48 -12.107 -4.554 -18.488
320 HB2 SER 48 1HB SER 48 -9.851 -3.879 -19.216
321 HB3 SER 48 2HB SER 48 -9.784 -5.244 -18.103
322 HG SER 48 HG SER 48 -9.672 -6.586 -20.041
323 H SER 49 H SER 49 -12.094 -2.748 -19.960
324 HA SER 49 HA SER 49 -13.353 -3.422 -22.475
325 HB2 SER 49 1HB SER 49 -12.716 -0.689 -21.337
326 HB3 SER 49 2HB SER 49 -13.824 -1.044 -22.661
327 HG SER 49 HG SER 49 -14.213 -2.261 -20.161
328 H GLY 50 H GLY 50 -12.708 -2.325 -24.499
329 HA2 GLY 50 1HA GLY 50 -10.337 -3.010 -25.516
330 HA3 GLY 50 2HA GLY 50 -11.133 -1.526 -26.017
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -29.228 -13.138 0.166
2 HA2 GLY 1 1HA GLY 1 -29.075 -12.188 2.943
3 HA3 GLY 1 2HA GLY 1 -28.084 -13.556 2.457
4 H SER 2 H SER 2 -26.304 -12.160 3.156
5 HA SER 2 HA SER 2 -25.240 -10.693 0.893
6 HB2 SER 2 1HB SER 2 -24.759 -8.661 2.143
7 HB3 SER 2 2HB SER 2 -26.494 -8.974 2.178
8 HG SER 2 HG SER 2 -25.015 -8.538 4.233
9 H SER 3 H SER 3 -22.954 -9.885 1.456
10 HA SER 3 HA SER 3 -21.642 -11.887 3.177
11 HB2 SER 3 1HB SER 3 -19.770 -11.925 1.630
12 HB3 SER 3 2HB SER 3 -21.256 -12.270 0.747
13 HG SER 3 HG SER 3 -20.756 -10.644 -0.467
14 H GLY 4 H GLY 4 -21.118 -10.804 4.984
15 HA2 GLY 4 1HA GLY 4 -19.387 -8.453 4.682
16 HA3 GLY 4 2HA GLY 4 -20.808 -8.320 5.707
17 H SER 5 H SER 5 -17.609 -8.680 5.849
18 HA SER 5 HA SER 5 -17.492 -10.728 7.904
19 HB2 SER 5 1HB SER 5 -15.092 -10.382 7.862
20 HB3 SER 5 2HB SER 5 -15.682 -10.489 6.203
21 HG SER 5 HG SER 5 -15.439 -7.985 7.462
22 H SER 6 H SER 6 -19.149 -8.626 8.631
23 HA SER 6 HA SER 6 -19.468 -6.923 10.146
24 HB2 SER 6 1HB SER 6 -17.827 -8.984 11.617
25 HB3 SER 6 2HB SER 6 -18.519 -7.579 12.431
26 HG SER 6 HG SER 6 -19.771 -9.826 11.375
27 H GLY 7 H GLY 7 -17.449 -6.195 8.382
28 HA2 GLY 7 1HA GLY 7 -16.335 -3.982 8.953
29 HA3 GLY 7 2HA GLY 7 -15.442 -4.927 10.134
30 H ASN 8 H ASN 8 -13.413 -4.657 9.313
31 HA ASN 8 HA ASN 8 -12.819 -6.158 6.895
32 HB2 ASN 8 1HB ASN 8 -11.303 -4.202 6.147
33 HB3 ASN 8 2HB ASN 8 -13.032 -4.080 5.832
34 HD21 ASN 8 1HD2 ASN 8 -10.614 -3.243 8.281
35 HD22 ASN 8 2HD2 ASN 8 -11.322 -1.727 8.709
36 HA PRO 9 HA PRO 9 -9.268 -7.364 9.182
37 HB2 PRO 9 1HB PRO 9 -7.538 -7.928 7.169
38 HB3 PRO 9 2HB PRO 9 -8.922 -8.954 7.561
39 HG2 PRO 9 1HG PRO 9 -8.644 -6.891 5.411
40 HG3 PRO 9 2HG PRO 9 -9.372 -8.506 5.325
41 HD2 PRO 9 1HD PRO 9 -10.852 -6.251 5.569
42 HD3 PRO 9 2HD PRO 9 -11.350 -7.802 6.277
43 H HIS 10 H HIS 10 -8.877 -4.897 6.698
44 HA HIS 10 HA HIS 10 -6.994 -3.493 8.418
45 HB2 HIS 10 1HB HIS 10 -5.426 -3.103 6.523
46 HB3 HIS 10 2HB HIS 10 -5.500 -4.788 7.026
47 HD2 HIS 10 HD2 HIS 10 -4.816 -5.789 4.529
48 HE1 HIS 10 HE1 HIS 10 -8.196 -4.250 2.478
49 HE2 HIS 10 HE2 HIS 10 -6.239 -5.833 2.370
50 H LEU 11 H LEU 11 -6.397 -1.313 7.283
51 HA LEU 11 HA LEU 11 -8.306 -0.230 5.460
52 HB2 LEU 11 1HB LEU 11 -9.796 -0.179 7.288
53 HB3 LEU 11 2HB LEU 11 -8.544 0.387 8.391
54 HG LEU 11 HG LEU 11 -8.548 2.516 6.911
55 HD11 LEU 11 1HD1 LEU 11 -10.209 1.173 5.332
56 HD12 LEU 11 2HD1 LEU 11 -10.292 2.925 5.517
57 HD13 LEU 11 3HD1 LEU 11 -11.401 1.890 6.417
58 HD21 LEU 11 3HD2 LEU 11 -9.308 3.137 8.918
59 HD22 LEU 11 1HD2 LEU 11 -10.237 1.652 9.124
60 HD23 LEU 11 2HD2 LEU 11 -10.918 2.998 8.210
61 H LEU 12 H LEU 12 -7.562 1.617 4.537
62 HA LEU 12 HA LEU 12 -6.096 3.254 3.953
63 HB2 LEU 12 1HB LEU 12 -5.832 3.392 6.949
64 HB3 LEU 12 2HB LEU 12 -5.061 4.538 5.854
65 HG LEU 12 HG LEU 12 -8.018 4.145 5.713
66 HD11 LEU 12 1HD1 LEU 12 -7.491 6.349 7.392
67 HD12 LEU 12 2HD1 LEU 12 -6.639 4.963 8.071
68 HD13 LEU 12 3HD1 LEU 12 -8.374 4.871 7.776
69 HD21 LEU 12 3HD2 LEU 12 -8.025 6.196 4.687
70 HD22 LEU 12 1HD2 LEU 12 -6.449 5.586 4.180
71 HD23 LEU 12 2HD2 LEU 12 -6.563 6.738 5.512
72 H VAL 13 H VAL 13 -5.112 0.678 3.749
73 HA VAL 13 HA VAL 13 -2.263 1.099 4.367
74 HB VAL 13 HB VAL 13 -3.632 -1.592 4.386
75 HG11 VAL 13 1HG1 VAL 13 -1.001 -1.014 3.979
76 HG12 VAL 13 2HG1 VAL 13 -1.052 -1.237 5.729
77 HG13 VAL 13 3HG1 VAL 13 -1.609 -2.523 4.657
78 HG21 VAL 13 3HG2 VAL 13 -4.126 -1.368 6.552
79 HG22 VAL 13 1HG2 VAL 13 -2.551 -0.664 6.917
80 HG23 VAL 13 2HG2 VAL 13 -3.859 0.361 6.327
81 H LYS 14 H LYS 14 -3.336 1.928 1.991
82 HA LYS 14 HA LYS 14 -2.427 -0.125 0.081
83 HB2 LYS 14 1HB LYS 14 -4.468 2.074 -0.266
84 HB3 LYS 14 2HB LYS 14 -3.835 1.116 -1.598
85 HG2 LYS 14 1HG LYS 14 -4.638 -0.915 -0.240
86 HG3 LYS 14 2HG LYS 14 -5.594 0.260 0.666
87 HD2 LYS 14 1HD LYS 14 -5.717 0.345 -2.304
88 HD3 LYS 14 2HD LYS 14 -6.555 -0.969 -1.475
89 HE2 LYS 14 1HE LYS 14 -6.922 1.963 -0.870
90 HE3 LYS 14 2HE LYS 14 -7.988 1.010 -1.902
91 HZ1 LYS 14 3HZ LYS 14 -7.588 0.822 1.013
92 HZ2 LYS 14 1HZ LYS 14 -8.179 -0.504 0.144
93 HZ3 LYS 14 2HZ LYS 14 -9.032 0.957 0.143
94 H TYR 15 H TYR 15 -1.737 1.001 -2.077
95 HA TYR 15 HA TYR 15 -0.071 3.343 -1.438
96 HB2 TYR 15 1HB TYR 15 1.772 2.416 -2.688
97 HB3 TYR 15 2HB TYR 15 1.273 1.241 -1.478
98 HD1 TYR 15 HD2 TYR 15 0.085 -0.807 -2.152
99 HD2 TYR 15 HD1 TYR 15 1.547 1.959 -5.036
100 HE1 TYR 15 HE2 TYR 15 -0.160 -2.514 -3.906
101 HE2 TYR 15 HE1 TYR 15 1.305 0.260 -6.797
102 HH TYR 15 HH TYR 15 1.187 -2.763 -6.433
103 H HIS 16 H HIS 16 0.919 4.171 -3.652
104 HA HIS 16 HA HIS 16 -1.293 4.293 -5.598
105 HB2 HIS 16 1HB HIS 16 0.370 6.444 -4.380
106 HB3 HIS 16 2HB HIS 16 -0.099 6.632 -6.068
107 HD2 HIS 16 HD2 HIS 16 -1.403 7.730 -2.819
108 HE1 HIS 16 HE1 HIS 16 -4.888 7.037 -5.136
109 HE2 HIS 16 HE2 HIS 16 -3.938 8.163 -3.094
110 H SER 17 H SER 17 -0.817 3.748 -7.626
111 HA SER 17 HA SER 17 1.906 3.010 -8.278
112 HB2 SER 17 1HB SER 17 0.994 1.935 -10.208
113 HB3 SER 17 2HB SER 17 -0.123 1.615 -8.881
114 HG SER 17 HG SER 17 -1.431 2.289 -10.465
115 H GLY 18 H GLY 18 1.489 5.798 -7.901
116 HA2 GLY 18 1HA GLY 18 2.698 6.777 -10.296
117 HA3 GLY 18 2HA GLY 18 1.038 7.335 -10.142
118 H PHE 19 H PHE 19 1.763 9.494 -9.979
119 HA PHE 19 HA PHE 19 2.737 10.168 -7.294
120 HB2 PHE 19 1HB PHE 19 3.820 11.167 -9.922
121 HB3 PHE 19 2HB PHE 19 4.020 12.083 -8.432
122 HD1 PHE 19 HD1 PHE 19 4.752 8.832 -10.041
123 HD2 PHE 19 HD2 PHE 19 5.707 11.543 -6.902
124 HE1 PHE 19 HE1 PHE 19 6.739 7.489 -9.490
125 HE2 PHE 19 HE2 PHE 19 7.695 10.204 -6.346
126 HZ PHE 19 HZ PHE 19 8.215 8.175 -7.642
127 H PHE 20 H PHE 20 2.632 12.786 -7.211
128 HA PHE 20 HA PHE 20 -0.083 13.491 -8.114
129 HB2 PHE 20 1HB PHE 20 0.030 13.165 -5.678
130 HB3 PHE 20 2HB PHE 20 1.316 14.362 -5.576
131 HD1 PHE 20 HD2 PHE 20 0.829 16.740 -6.059
132 HD2 PHE 20 HD1 PHE 20 -2.244 13.804 -5.820
133 HE1 PHE 20 HE2 PHE 20 -0.847 18.521 -5.796
134 HE2 PHE 20 HE1 PHE 20 -3.926 15.581 -5.557
135 HZ PHE 20 HZ PHE 20 -3.228 17.943 -5.543
136 H VAL 21 H VAL 21 0.315 14.715 -9.881
137 HA VAL 21 HA VAL 21 1.982 17.111 -9.487
138 HB VAL 21 HB VAL 21 1.753 15.540 -12.057
139 HG11 VAL 21 1HG1 VAL 21 2.093 18.117 -12.046
140 HG12 VAL 21 2HG1 VAL 21 3.733 17.716 -11.534
141 HG13 VAL 21 3HG1 VAL 21 3.114 17.108 -13.069
142 HG21 VAL 21 3HG2 VAL 21 3.085 14.348 -10.396
143 HG22 VAL 21 1HG2 VAL 21 4.104 14.965 -11.697
144 HG23 VAL 21 2HG2 VAL 21 4.068 15.789 -10.138
145 H ASP 22 H ASP 22 1.154 19.017 -10.200
146 HA ASP 22 HA ASP 22 -0.326 20.535 -11.039
147 HB2 ASP 22 1HB ASP 22 -0.186 18.863 -13.050
148 HB3 ASP 22 2HB ASP 22 -1.801 18.391 -12.529
149 H GLY 23 H GLY 23 -0.794 19.317 -8.552
150 HA2 GLY 23 1HA GLY 23 -2.426 19.141 -6.948
151 HA3 GLY 23 2HA GLY 23 -3.416 20.127 -8.014
152 H LYS 24 H LYS 24 -2.124 16.910 -8.689
153 HA LYS 24 HA LYS 24 -4.462 15.468 -8.051
154 HB2 LYS 24 1HB LYS 24 -5.387 15.052 -10.242
155 HB3 LYS 24 2HB LYS 24 -5.359 16.787 -9.956
156 HG2 LYS 24 1HG LYS 24 -3.640 17.137 -11.474
157 HG3 LYS 24 2HG LYS 24 -3.126 15.450 -11.430
158 HD2 LYS 24 1HD LYS 24 -4.974 14.752 -12.725
159 HD3 LYS 24 2HD LYS 24 -5.810 16.291 -12.499
160 HE2 LYS 24 1HE LYS 24 -3.157 16.124 -13.895
161 HE3 LYS 24 2HE LYS 24 -4.673 15.856 -14.757
162 HZ1 LYS 24 3HZ LYS 24 -4.041 18.137 -14.979
163 HZ2 LYS 24 1HZ LYS 24 -3.867 18.317 -13.306
164 HZ3 LYS 24 2HZ LYS 24 -5.400 18.067 -13.975
165 H PHE 25 H PHE 25 -4.323 13.225 -8.647
166 HA PHE 25 HA PHE 25 -1.591 12.325 -8.818
167 HB2 PHE 25 1HB PHE 25 -4.215 10.854 -8.551
168 HB3 PHE 25 2HB PHE 25 -2.656 10.041 -8.627
169 HD1 PHE 25 HD1 PHE 25 -1.047 10.262 -6.802
170 HD2 PHE 25 HD2 PHE 25 -4.917 12.022 -6.586
171 HE1 PHE 25 HE1 PHE 25 -0.781 10.541 -4.372
172 HE2 PHE 25 HE2 PHE 25 -4.656 12.305 -4.156
173 HZ PHE 25 HZ PHE 25 -2.586 11.565 -3.046
174 H LEU 26 H LEU 26 -1.006 10.511 -10.303
175 HA LEU 26 HA LEU 26 -2.056 11.073 -12.992
176 HB2 LEU 26 1HB LEU 26 0.617 10.112 -12.019
177 HB3 LEU 26 2HB LEU 26 0.129 9.956 -13.704
178 HG LEU 26 HG LEU 26 1.579 11.906 -13.295
179 HD11 LEU 26 1HD1 LEU 26 -0.611 13.497 -14.026
180 HD12 LEU 26 2HD1 LEU 26 -0.962 11.875 -14.618
181 HD13 LEU 26 3HD1 LEU 26 0.535 12.680 -15.089
182 HD21 LEU 26 3HD2 LEU 26 -0.591 13.400 -11.967
183 HD22 LEU 26 1HD2 LEU 26 1.158 13.519 -11.772
184 HD23 LEU 26 2HD2 LEU 26 0.268 12.224 -10.971
185 H CYS 27 H CYS 27 -1.220 8.502 -10.738
186 HA CYS 27 HA CYS 27 -1.721 6.329 -12.472
187 HB2 CYS 27 1HB CYS 27 -2.050 5.071 -10.255
188 HB3 CYS 27 2HB CYS 27 -0.481 5.817 -10.541
189 H CYS 28 H CYS 28 -3.746 7.746 -9.901
190 HA CYS 28 HA CYS 28 -6.081 6.436 -11.108
191 HB2 CYS 28 1HB CYS 28 -7.153 7.241 -8.873
192 HB3 CYS 28 2HB CYS 28 -6.070 5.853 -8.855
193 H GLN 29 H GLN 29 -4.777 9.555 -10.160
194 HA GLN 29 HA GLN 29 -5.350 11.683 -10.720
195 HB2 GLN 29 1HB GLN 29 -7.206 10.478 -12.771
196 HB3 GLN 29 2HB GLN 29 -6.483 12.081 -12.790
197 HG2 GLN 29 1HG GLN 29 -4.246 10.672 -12.772
198 HG3 GLN 29 2HG GLN 29 -5.301 9.453 -13.485
199 HE21 GLN 29 1HE2 GLN 29 -3.540 12.319 -13.993
200 HE22 GLN 29 2HE2 GLN 29 -3.980 12.577 -15.644
201 H GLN 30 H GLN 30 -6.636 10.652 -8.547
202 HA GLN 30 HA GLN 30 -9.477 11.038 -8.730
203 HB2 GLN 30 1HB GLN 30 -7.576 10.551 -6.449
204 HB3 GLN 30 2HB GLN 30 -9.274 10.916 -6.167
205 HG2 GLN 30 1HG GLN 30 -9.993 8.934 -7.139
206 HG3 GLN 30 2HG GLN 30 -8.474 8.694 -8.001
207 HE21 GLN 30 1HE2 GLN 30 -9.713 6.726 -6.457
208 HE22 GLN 30 2HE2 GLN 30 -8.701 6.371 -5.103
209 H SER 31 H SER 31 -10.383 12.497 -6.790
210 HA SER 31 HA SER 31 -9.585 15.191 -7.499
211 HB2 SER 31 1HB SER 31 -11.867 14.039 -5.903
212 HB3 SER 31 2HB SER 31 -11.551 15.772 -5.943
213 HG SER 31 HG SER 31 -11.892 14.186 -8.268
214 H CYS 32 H CYS 32 -9.929 13.296 -4.505
215 HA CYS 32 HA CYS 32 -8.997 15.199 -2.711
216 HB2 CYS 32 1HB CYS 32 -9.962 12.765 -2.371
217 HB3 CYS 32 2HB CYS 32 -8.258 12.329 -2.318
218 H LYS 33 H LYS 33 -6.925 15.290 -1.578
219 HA LYS 33 HA LYS 33 -4.716 15.103 -3.480
220 HB2 LYS 33 1HB LYS 33 -5.313 17.189 -2.059
221 HB3 LYS 33 2HB LYS 33 -4.536 16.323 -0.739
222 HG2 LYS 33 1HG LYS 33 -2.446 16.406 -1.749
223 HG3 LYS 33 2HG LYS 33 -3.124 16.727 -3.347
224 HD2 LYS 33 1HD LYS 33 -3.648 18.960 -2.784
225 HD3 LYS 33 2HD LYS 33 -3.397 18.664 -1.062
226 HE2 LYS 33 1HE LYS 33 -1.199 18.419 -3.101
227 HE3 LYS 33 2HE LYS 33 -1.563 19.929 -2.267
228 HZ1 LYS 33 3HZ LYS 33 -0.574 19.219 -0.418
229 HZ2 LYS 33 1HZ LYS 33 0.120 18.006 -1.372
230 HZ3 LYS 33 2HZ LYS 33 -1.289 17.689 -0.492
231 H ALA 34 H ALA 34 -5.699 13.924 -0.311
232 HA ALA 34 HA ALA 34 -3.305 12.212 -0.238
233 HB1 ALA 34 3HB ALA 34 -5.065 12.512 2.139
234 HB2 ALA 34 1HB ALA 34 -3.318 12.289 2.044
235 HB3 ALA 34 2HB ALA 34 -4.027 13.864 1.688
236 H ALA 35 H ALA 35 -5.658 11.659 -1.855
237 HA ALA 35 HA ALA 35 -7.468 9.877 -0.785
238 HB1 ALA 35 3HB ALA 35 -7.238 10.830 -3.188
239 HB2 ALA 35 1HB ALA 35 -6.304 9.364 -3.491
240 HB3 ALA 35 2HB ALA 35 -7.979 9.247 -2.950
241 HA PRO 36 HA PRO 36 -5.215 6.290 0.395
242 HB2 PRO 36 1HB PRO 36 -7.143 4.405 0.089
243 HB3 PRO 36 2HB PRO 36 -7.150 5.580 1.409
244 HG2 PRO 36 1HG PRO 36 -8.670 5.619 -1.169
245 HG3 PRO 36 2HG PRO 36 -9.229 6.019 0.465
246 HD2 PRO 36 1HD PRO 36 -8.551 7.913 -1.347
247 HD3 PRO 36 2HD PRO 36 -8.310 8.131 0.399
248 H GLY 37 H GLY 37 -4.018 4.649 -0.491
249 HA2 GLY 37 1HA GLY 37 -3.225 4.550 -3.039
250 HA3 GLY 37 2HA GLY 37 -3.333 3.084 -2.073
251 H CYS 38 H CYS 38 -4.305 4.543 -4.891
252 HA CYS 38 HA CYS 38 -6.936 3.705 -5.257
253 HB2 CYS 38 1HB CYS 38 -6.312 3.677 -7.724
254 HB3 CYS 38 2HB CYS 38 -6.019 5.186 -6.864
255 H THR 39 H THR 39 -3.899 1.971 -5.767
256 HA THR 39 HA THR 39 -4.938 -0.319 -6.996
257 HB THR 39 HB THR 39 -2.893 -1.476 -6.038
258 HG1 THR 39 HG1 THR 39 -2.889 0.255 -4.252
259 HG21 THR 39 3HG2 THR 39 -1.402 -0.402 -7.538
260 HG22 THR 39 1HG2 THR 39 -2.260 1.133 -7.406
261 HG23 THR 39 2HG2 THR 39 -3.010 -0.229 -8.239
262 H LEU 40 H LEU 40 -6.692 -1.287 -6.126
263 HA LEU 40 HA LEU 40 -6.381 -2.419 -3.433
264 HB2 LEU 40 1HB LEU 40 -7.862 -0.703 -2.964
265 HB3 LEU 40 2HB LEU 40 -8.663 -0.834 -4.528
266 HG LEU 40 HG LEU 40 -9.643 -3.009 -3.728
267 HD11 LEU 40 1HD1 LEU 40 -7.853 -2.564 -1.587
268 HD12 LEU 40 2HD1 LEU 40 -8.981 -3.901 -1.813
269 HD13 LEU 40 3HD1 LEU 40 -9.490 -2.456 -0.940
270 HD21 LEU 40 3HD2 LEU 40 -10.383 -0.638 -2.024
271 HD22 LEU 40 1HD2 LEU 40 -11.424 -1.959 -2.556
272 HD23 LEU 40 2HD2 LEU 40 -10.817 -0.787 -3.727
273 H TRP 41 H TRP 41 -7.276 -4.448 -3.119
274 HA TRP 41 HA TRP 41 -7.269 -6.252 -5.180
275 HB2 TRP 41 1HB TRP 41 -8.452 -6.250 -2.448
276 HB3 TRP 41 2HB TRP 41 -8.956 -7.529 -3.548
277 HD1 TRP 41 HD1 TRP 41 -5.374 -6.115 -3.380
278 HE1 TRP 41 HE1 TRP 41 -3.788 -8.020 -2.684
279 HE3 TRP 41 HE3 TRP 41 -8.840 -9.753 -2.438
280 HZ2 TRP 41 HZ2 TRP 41 -3.982 -10.709 -1.848
281 HZ3 TRP 41 HZ3 TRP 41 -8.058 -11.964 -1.695
282 HH2 TRP 41 HH2 TRP 41 -5.678 -12.430 -1.406
283 H GLU 42 H GLU 42 -10.205 -4.877 -3.684
284 HA GLU 42 HA GLU 42 -12.207 -5.941 -5.082
285 HB2 GLU 42 1HB GLU 42 -11.750 -3.069 -4.338
286 HB3 GLU 42 2HB GLU 42 -13.215 -3.550 -5.181
287 HG2 GLU 42 1HG GLU 42 -12.387 -4.972 -2.692
288 HG3 GLU 42 2HG GLU 42 -13.203 -3.411 -2.598
289 H ALA 43 H ALA 43 -12.420 -6.464 -7.148
290 HA ALA 43 HA ALA 43 -12.108 -4.451 -9.201
291 HB1 ALA 43 3HB ALA 43 -10.709 -6.583 -10.328
292 HB2 ALA 43 1HB ALA 43 -10.053 -5.026 -9.819
293 HB3 ALA 43 2HB ALA 43 -10.037 -6.397 -8.709
294 H TYR 44 H TYR 44 -12.698 -5.387 -11.394
295 HA TYR 44 HA TYR 44 -15.072 -7.027 -11.045
296 HB2 TYR 44 1HB TYR 44 -15.833 -6.152 -13.037
297 HB3 TYR 44 2HB TYR 44 -14.785 -4.845 -12.496
298 HD1 TYR 44 HD2 TYR 44 -12.290 -5.011 -13.340
299 HD2 TYR 44 HD1 TYR 44 -15.596 -6.941 -15.196
300 HE1 TYR 44 HE2 TYR 44 -11.018 -5.157 -15.440
301 HE2 TYR 44 HE1 TYR 44 -14.333 -7.094 -17.302
302 HH TYR 44 HH TYR 44 -11.162 -6.836 -17.564
303 H SER 45 H SER 45 -15.545 -8.747 -12.645
304 HA SER 45 HA SER 45 -13.172 -10.422 -13.006
305 HB2 SER 45 1HB SER 45 -14.768 -12.277 -13.280
306 HB3 SER 45 2HB SER 45 -15.052 -11.408 -11.773
307 HG SER 45 HG SER 45 -16.735 -11.818 -13.815
308 H GLY 46 H GLY 46 -12.251 -9.701 -14.891
309 HA2 GLY 46 1HA GLY 46 -13.903 -9.401 -17.274
310 HA3 GLY 46 2HA GLY 46 -12.191 -9.030 -17.139
311 HA PRO 47 HA PRO 47 -12.518 -12.906 -19.603
312 HB2 PRO 47 1HB PRO 47 -10.540 -12.230 -21.333
313 HB3 PRO 47 2HB PRO 47 -12.219 -11.723 -21.549
314 HG2 PRO 47 1HG PRO 47 -9.909 -10.191 -20.417
315 HG3 PRO 47 2HG PRO 47 -11.167 -9.649 -21.542
316 HD2 PRO 47 1HD PRO 47 -11.235 -9.079 -18.895
317 HD3 PRO 47 2HD PRO 47 -12.707 -9.319 -19.858
318 H SER 48 H SER 48 -11.678 -13.958 -17.688
319 HA SER 48 HA SER 48 -8.915 -13.843 -17.010
320 HB2 SER 48 1HB SER 48 -10.898 -14.576 -15.530
321 HB3 SER 48 2HB SER 48 -10.739 -16.142 -16.326
322 HG SER 48 HG SER 48 -8.797 -14.781 -14.773
323 H SER 49 H SER 49 -10.889 -16.304 -18.662
324 HA SER 49 HA SER 49 -8.711 -18.008 -19.271
325 HB2 SER 49 1HB SER 49 -11.542 -17.781 -20.232
326 HB3 SER 49 2HB SER 49 -10.420 -18.851 -21.072
327 HG SER 49 HG SER 49 -11.727 -19.281 -18.790
328 H GLY 50 H GLY 50 -7.124 -17.691 -20.675
329 HA2 GLY 50 1HA GLY 50 -6.986 -17.311 -23.249
330 HA3 GLY 50 2HA GLY 50 -7.488 -15.690 -22.792
Start of MODEL 16
1 H1 GLY 1 H GLY 1 9.194 14.153 17.619
2 HA2 GLY 1 1HA GLY 1 9.806 14.422 20.175
3 HA3 GLY 1 2HA GLY 1 8.143 13.878 20.332
4 H SER 2 H SER 2 10.432 12.520 21.339
5 HA SER 2 HA SER 2 11.603 10.539 19.950
6 HB2 SER 2 1HB SER 2 10.470 10.629 22.708
7 HB3 SER 2 2HB SER 2 11.015 9.070 22.089
8 HG SER 2 HG SER 2 12.667 10.261 23.190
9 H SER 3 H SER 3 11.108 8.587 19.047
10 HA SER 3 HA SER 3 8.250 7.876 18.945
11 HB2 SER 3 1HB SER 3 8.463 7.250 16.672
12 HB3 SER 3 2HB SER 3 9.325 8.783 16.801
13 HG SER 3 HG SER 3 10.305 6.215 16.365
14 H GLY 4 H GLY 4 7.757 5.610 18.691
15 HA2 GLY 4 1HA GLY 4 9.925 3.842 19.643
16 HA3 GLY 4 2HA GLY 4 8.304 3.767 20.318
17 H SER 5 H SER 5 6.830 4.024 17.935
18 HA SER 5 HA SER 5 6.472 1.442 17.132
19 HB2 SER 5 1HB SER 5 5.281 2.299 15.195
20 HB3 SER 5 2HB SER 5 4.955 3.339 16.583
21 HG SER 5 HG SER 5 5.917 4.935 15.605
22 H SER 6 H SER 6 7.741 0.018 16.167
23 HA SER 6 HA SER 6 9.664 0.977 14.151
24 HB2 SER 6 1HB SER 6 10.121 -1.276 16.122
25 HB3 SER 6 2HB SER 6 11.267 -0.700 14.910
26 HG SER 6 HG SER 6 10.286 0.710 17.168
27 H GLY 7 H GLY 7 10.159 -0.486 12.443
28 HA2 GLY 7 1HA GLY 7 9.833 -2.456 11.177
29 HA3 GLY 7 2HA GLY 7 8.466 -2.861 12.205
30 H ASN 8 H ASN 8 8.212 -3.123 9.510
31 HA ASN 8 HA ASN 8 6.566 -0.804 8.739
32 HB2 ASN 8 1HB ASN 8 6.900 -1.717 6.373
33 HB3 ASN 8 2HB ASN 8 8.297 -0.968 7.140
34 HD21 ASN 8 1HD2 ASN 8 10.050 -2.008 6.547
35 HD22 ASN 8 2HD2 ASN 8 10.241 -3.724 6.476
36 HA PRO 9 HA PRO 9 3.623 -4.284 9.439
37 HB2 PRO 9 1HB PRO 9 1.674 -2.707 10.481
38 HB3 PRO 9 2HB PRO 9 2.993 -3.373 11.452
39 HG2 PRO 9 1HG PRO 9 2.704 -0.637 10.273
40 HG3 PRO 9 2HG PRO 9 3.275 -1.106 11.884
41 HD2 PRO 9 1HD PRO 9 4.964 -0.436 9.876
42 HD3 PRO 9 2HD PRO 9 5.386 -1.631 11.120
43 H HIS 10 H HIS 10 3.924 -1.759 7.346
44 HA HIS 10 HA HIS 10 1.303 -2.255 6.097
45 HB2 HIS 10 1HB HIS 10 1.418 -0.096 5.096
46 HB3 HIS 10 2HB HIS 10 1.854 0.115 6.788
47 HD2 HIS 10 HD2 HIS 10 2.913 1.957 4.056
48 HE1 HIS 10 HE1 HIS 10 6.671 0.653 5.531
49 HE2 HIS 10 HE2 HIS 10 5.469 2.354 4.115
50 H LEU 11 H LEU 11 3.339 -4.122 5.757
51 HA LEU 11 HA LEU 11 5.007 -3.790 3.563
52 HB2 LEU 11 1HB LEU 11 5.318 -5.698 4.900
53 HB3 LEU 11 2HB LEU 11 3.639 -6.201 4.713
54 HG LEU 11 HG LEU 11 4.190 -6.612 2.266
55 HD11 LEU 11 1HD1 LEU 11 6.415 -6.776 1.569
56 HD12 LEU 11 2HD1 LEU 11 7.034 -6.687 3.217
57 HD13 LEU 11 3HD1 LEU 11 6.344 -5.254 2.457
58 HD21 LEU 11 3HD2 LEU 11 4.877 -8.809 2.697
59 HD22 LEU 11 1HD2 LEU 11 4.009 -8.324 4.153
60 HD23 LEU 11 2HD2 LEU 11 5.773 -8.341 4.142
61 H LEU 12 H LEU 12 1.760 -5.269 3.600
62 HA LEU 12 HA LEU 12 1.538 -4.600 0.738
63 HB2 LEU 12 1HB LEU 12 -0.086 -6.503 0.625
64 HB3 LEU 12 2HB LEU 12 1.593 -6.955 0.913
65 HG LEU 12 HG LEU 12 -0.274 -6.677 3.230
66 HD11 LEU 12 1HD1 LEU 12 -0.044 -9.370 2.096
67 HD12 LEU 12 2HD1 LEU 12 -1.017 -8.249 1.145
68 HD13 LEU 12 3HD1 LEU 12 -1.425 -8.559 2.834
69 HD21 LEU 12 3HD2 LEU 12 1.783 -8.799 2.902
70 HD22 LEU 12 1HD2 LEU 12 1.266 -7.935 4.351
71 HD23 LEU 12 2HD2 LEU 12 2.326 -7.144 3.185
72 H VAL 13 H VAL 13 0.339 -2.805 0.626
73 HA VAL 13 HA VAL 13 -2.382 -2.883 1.595
74 HB VAL 13 HB VAL 13 -1.046 -1.981 3.527
75 HG11 VAL 13 1HG1 VAL 13 0.279 -0.541 1.625
76 HG12 VAL 13 2HG1 VAL 13 -0.815 0.667 2.300
77 HG13 VAL 13 3HG1 VAL 13 0.304 -0.199 3.354
78 HG21 VAL 13 3HG2 VAL 13 -3.512 -1.406 2.800
79 HG22 VAL 13 1HG2 VAL 13 -2.744 -0.576 4.154
80 HG23 VAL 13 2HG2 VAL 13 -2.832 0.206 2.576
81 H LYS 14 H LYS 14 -3.662 -1.050 0.807
82 HA LYS 14 HA LYS 14 -3.326 -0.555 -1.889
83 HB2 LYS 14 1HB LYS 14 -4.958 0.677 0.272
84 HB3 LYS 14 2HB LYS 14 -4.821 1.565 -1.240
85 HG2 LYS 14 1HG LYS 14 -6.019 0.027 -2.416
86 HG3 LYS 14 2HG LYS 14 -5.519 -1.315 -1.383
87 HD2 LYS 14 1HD LYS 14 -7.219 0.810 -0.188
88 HD3 LYS 14 2HD LYS 14 -7.978 -0.325 -1.306
89 HE2 LYS 14 1HE LYS 14 -7.277 -2.194 0.040
90 HE3 LYS 14 2HE LYS 14 -6.348 -1.133 1.098
91 HZ1 LYS 14 3HZ LYS 14 -8.667 -0.003 1.405
92 HZ2 LYS 14 1HZ LYS 14 -8.253 -1.378 2.300
93 HZ3 LYS 14 2HZ LYS 14 -9.248 -1.523 0.941
94 H TYR 15 H TYR 15 -1.908 0.617 -2.983
95 HA TYR 15 HA TYR 15 -0.810 3.044 -1.730
96 HB2 TYR 15 1HB TYR 15 1.366 2.531 -2.830
97 HB3 TYR 15 2HB TYR 15 0.914 1.355 -1.600
98 HD1 TYR 15 HD1 TYR 15 0.705 1.913 -5.286
99 HD2 TYR 15 HD2 TYR 15 1.005 -0.905 -2.112
100 HE1 TYR 15 HE1 TYR 15 0.979 0.102 -6.927
101 HE2 TYR 15 HE2 TYR 15 1.281 -2.723 -3.745
102 HH TYR 15 HH TYR 15 1.813 -2.118 -7.097
103 H HIS 16 H HIS 16 0.438 4.339 -3.522
104 HA HIS 16 HA HIS 16 -1.389 4.543 -5.820
105 HB2 HIS 16 1HB HIS 16 0.206 6.584 -4.301
106 HB3 HIS 16 2HB HIS 16 -0.315 6.908 -5.952
107 HD2 HIS 16 HD2 HIS 16 -1.593 7.443 -2.488
108 HE1 HIS 16 HE1 HIS 16 -5.054 7.280 -4.937
109 HE2 HIS 16 HE2 HIS 16 -4.119 7.960 -2.699
110 H SER 17 H SER 17 -0.585 3.653 -7.599
111 HA SER 17 HA SER 17 2.261 3.355 -7.981
112 HB2 SER 17 1HB SER 17 0.318 1.727 -8.675
113 HB3 SER 17 2HB SER 17 0.252 2.737 -10.118
114 HG SER 17 HG SER 17 1.840 0.753 -9.764
115 H GLY 18 H GLY 18 1.523 6.049 -7.842
116 HA2 GLY 18 1HA GLY 18 2.668 7.008 -10.291
117 HA3 GLY 18 2HA GLY 18 0.967 7.425 -10.144
118 H PHE 19 H PHE 19 2.710 9.454 -10.345
119 HA PHE 19 HA PHE 19 3.264 10.398 -7.629
120 HB2 PHE 19 1HB PHE 19 4.074 11.521 -10.318
121 HB3 PHE 19 2HB PHE 19 4.520 12.217 -8.764
122 HD1 PHE 19 HD1 PHE 19 4.868 9.193 -10.871
123 HD2 PHE 19 HD2 PHE 19 6.379 11.432 -7.581
124 HE1 PHE 19 HE1 PHE 19 6.848 7.733 -10.791
125 HE2 PHE 19 HE2 PHE 19 8.361 9.977 -7.497
126 HZ PHE 19 HZ PHE 19 8.598 8.126 -9.103
127 H PHE 20 H PHE 20 2.933 12.888 -7.419
128 HA PHE 20 HA PHE 20 0.183 13.468 -8.301
129 HB2 PHE 20 1HB PHE 20 0.537 13.191 -5.837
130 HB3 PHE 20 2HB PHE 20 1.608 14.588 -5.881
131 HD1 PHE 20 HD2 PHE 20 0.728 16.821 -6.221
132 HD2 PHE 20 HD1 PHE 20 -1.849 13.437 -6.060
133 HE1 PHE 20 HE2 PHE 20 -1.205 18.312 -5.920
134 HE2 PHE 20 HE1 PHE 20 -3.787 14.924 -5.761
135 HZ PHE 20 HZ PHE 20 -3.466 17.364 -5.690
136 H VAL 21 H VAL 21 0.411 14.680 -10.100
137 HA VAL 21 HA VAL 21 1.952 17.176 -9.836
138 HB VAL 21 HB VAL 21 1.769 15.464 -12.320
139 HG11 VAL 21 1HG1 VAL 21 1.745 17.913 -12.741
140 HG12 VAL 21 2HG1 VAL 21 3.294 18.031 -11.901
141 HG13 VAL 21 3HG1 VAL 21 3.165 17.096 -13.393
142 HG21 VAL 21 3HG2 VAL 21 4.435 16.031 -11.471
143 HG22 VAL 21 1HG2 VAL 21 3.534 15.340 -10.122
144 HG23 VAL 21 2HG2 VAL 21 3.639 14.469 -11.652
145 H ASP 22 H ASP 22 1.108 18.989 -10.898
146 HA ASP 22 HA ASP 22 -0.518 20.382 -11.667
147 HB2 ASP 22 1HB ASP 22 -0.390 18.517 -13.540
148 HB3 ASP 22 2HB ASP 22 -1.999 18.121 -12.940
149 H GLY 23 H GLY 23 -0.830 19.392 -9.085
150 HA2 GLY 23 1HA GLY 23 -2.379 19.184 -7.403
151 HA3 GLY 23 2HA GLY 23 -3.432 20.115 -8.458
152 H LYS 24 H LYS 24 -2.119 16.895 -9.072
153 HA LYS 24 HA LYS 24 -4.394 15.437 -8.270
154 HB2 LYS 24 1HB LYS 24 -5.362 14.895 -10.450
155 HB3 LYS 24 2HB LYS 24 -5.475 16.619 -10.124
156 HG2 LYS 24 1HG LYS 24 -3.961 17.169 -11.750
157 HG3 LYS 24 2HG LYS 24 -3.146 15.605 -11.673
158 HD2 LYS 24 1HD LYS 24 -4.266 15.384 -13.661
159 HD3 LYS 24 2HD LYS 24 -5.470 14.728 -12.550
160 HE2 LYS 24 1HE LYS 24 -6.811 16.603 -12.690
161 HE3 LYS 24 2HE LYS 24 -5.476 17.649 -13.173
162 HZ1 LYS 24 3HZ LYS 24 -5.553 16.870 -15.345
163 HZ2 LYS 24 1HZ LYS 24 -7.188 17.004 -14.929
164 HZ3 LYS 24 2HZ LYS 24 -6.439 15.487 -14.940
165 H PHE 25 H PHE 25 -4.124 13.216 -8.526
166 HA PHE 25 HA PHE 25 -1.439 12.344 -8.872
167 HB2 PHE 25 1HB PHE 25 -4.042 10.883 -8.445
168 HB3 PHE 25 2HB PHE 25 -2.512 10.034 -8.646
169 HD1 PHE 25 HD1 PHE 25 -0.644 10.524 -7.014
170 HD2 PHE 25 HD2 PHE 25 -4.666 11.758 -6.374
171 HE1 PHE 25 HE1 PHE 25 -0.174 10.796 -4.615
172 HE2 PHE 25 HE2 PHE 25 -4.203 12.034 -3.973
173 HZ PHE 25 HZ PHE 25 -1.954 11.554 -3.091
174 H LEU 26 H LEU 26 -0.869 10.479 -10.313
175 HA LEU 26 HA LEU 26 -1.979 10.955 -12.995
176 HB2 LEU 26 1HB LEU 26 0.726 10.089 -12.034
177 HB3 LEU 26 2HB LEU 26 0.214 9.810 -13.698
178 HG LEU 26 HG LEU 26 1.629 11.817 -13.431
179 HD11 LEU 26 1HD1 LEU 26 -0.129 11.568 -15.213
180 HD12 LEU 26 2HD1 LEU 26 0.340 13.224 -14.834
181 HD13 LEU 26 3HD1 LEU 26 -1.176 12.573 -14.213
182 HD21 LEU 26 3HD2 LEU 26 -0.685 12.807 -11.768
183 HD22 LEU 26 1HD2 LEU 26 0.636 13.813 -12.365
184 HD23 LEU 26 2HD2 LEU 26 0.966 12.515 -11.217
185 H CYS 27 H CYS 27 -1.153 8.485 -10.648
186 HA CYS 27 HA CYS 27 -1.622 6.241 -12.312
187 HB2 CYS 27 1HB CYS 27 -1.954 5.074 -10.035
188 HB3 CYS 27 2HB CYS 27 -0.379 5.783 -10.378
189 H CYS 28 H CYS 28 -3.665 7.928 -9.944
190 HA CYS 28 HA CYS 28 -5.995 6.514 -11.062
191 HB2 CYS 28 1HB CYS 28 -7.064 7.375 -8.839
192 HB3 CYS 28 2HB CYS 28 -6.013 5.962 -8.808
193 H GLN 29 H GLN 29 -4.727 9.648 -10.074
194 HA GLN 29 HA GLN 29 -5.269 11.767 -10.702
195 HB2 GLN 29 1HB GLN 29 -7.157 10.561 -12.721
196 HB3 GLN 29 2HB GLN 29 -6.392 12.143 -12.773
197 HG2 GLN 29 1HG GLN 29 -4.194 10.666 -12.742
198 HG3 GLN 29 2HG GLN 29 -5.292 9.476 -13.440
199 HE21 GLN 29 1HE2 GLN 29 -3.406 12.239 -13.997
200 HE22 GLN 29 2HE2 GLN 29 -3.858 12.510 -15.642
201 H GLN 30 H GLN 30 -6.548 10.765 -8.508
202 HA GLN 30 HA GLN 30 -9.390 11.227 -8.701
203 HB2 GLN 30 1HB GLN 30 -7.508 10.508 -6.479
204 HB3 GLN 30 2HB GLN 30 -9.140 11.048 -6.111
205 HG2 GLN 30 1HG GLN 30 -10.054 9.232 -7.452
206 HG3 GLN 30 2HG GLN 30 -8.422 8.698 -7.850
207 HE21 GLN 30 1HE2 GLN 30 -7.151 7.741 -6.244
208 HE22 GLN 30 2HE2 GLN 30 -7.846 7.090 -4.803
209 H SER 31 H SER 31 -10.308 12.673 -6.813
210 HA SER 31 HA SER 31 -8.991 15.294 -7.076
211 HB2 SER 31 1HB SER 31 -11.329 14.942 -8.056
212 HB3 SER 31 2HB SER 31 -11.896 14.856 -6.389
213 HG SER 31 HG SER 31 -10.266 17.009 -7.028
214 H CYS 32 H CYS 32 -8.009 13.646 -5.125
215 HA CYS 32 HA CYS 32 -8.652 15.165 -2.742
216 HB2 CYS 32 1HB CYS 32 -9.323 12.287 -3.079
217 HB3 CYS 32 2HB CYS 32 -8.646 12.781 -1.531
218 H LYS 33 H LYS 33 -6.851 15.616 -1.650
219 HA LYS 33 HA LYS 33 -4.324 14.697 -2.552
220 HB2 LYS 33 1HB LYS 33 -5.302 16.475 -0.375
221 HB3 LYS 33 2HB LYS 33 -3.671 15.833 -0.227
222 HG2 LYS 33 1HG LYS 33 -4.454 17.068 -2.811
223 HG3 LYS 33 2HG LYS 33 -4.164 18.128 -1.429
224 HD2 LYS 33 1HD LYS 33 -1.951 17.039 -1.128
225 HD3 LYS 33 2HD LYS 33 -2.246 16.116 -2.603
226 HE2 LYS 33 1HE LYS 33 -2.270 18.092 -3.928
227 HE3 LYS 33 2HE LYS 33 -2.293 19.124 -2.499
228 HZ1 LYS 33 3HZ LYS 33 -0.061 17.744 -3.754
229 HZ2 LYS 33 1HZ LYS 33 -0.058 17.781 -2.062
230 HZ3 LYS 33 2HZ LYS 33 -0.099 19.226 -2.939
231 H ALA 34 H ALA 34 -6.177 14.078 0.420
232 HA ALA 34 HA ALA 34 -4.275 12.024 1.221
233 HB1 ALA 34 3HB ALA 34 -4.840 12.815 3.223
234 HB2 ALA 34 1HB ALA 34 -6.226 13.684 2.563
235 HB3 ALA 34 2HB ALA 34 -6.385 11.988 3.024
236 H ALA 35 H ALA 35 -5.689 11.487 -1.167
237 HA ALA 35 HA ALA 35 -7.906 9.754 -0.649
238 HB1 ALA 35 3HB ALA 35 -8.084 9.522 -2.920
239 HB2 ALA 35 1HB ALA 35 -7.213 11.053 -2.828
240 HB3 ALA 35 2HB ALA 35 -6.338 9.561 -3.173
241 HA PRO 36 HA PRO 36 -5.825 6.012 0.342
242 HB2 PRO 36 1HB PRO 36 -7.617 4.204 -0.602
243 HB3 PRO 36 2HB PRO 36 -7.895 5.159 0.859
244 HG2 PRO 36 1HG PRO 36 -8.917 5.605 -1.919
245 HG3 PRO 36 2HG PRO 36 -9.776 5.747 -0.374
246 HD2 PRO 36 1HD PRO 36 -8.825 7.899 -1.715
247 HD3 PRO 36 2HD PRO 36 -8.914 7.840 0.057
248 H GLY 37 H GLY 37 -5.100 3.911 -0.658
249 HA2 GLY 37 1HA GLY 37 -3.740 4.452 -3.103
250 HA3 GLY 37 2HA GLY 37 -3.744 2.925 -2.235
251 H CYS 38 H CYS 38 -4.892 4.620 -4.937
252 HA CYS 38 HA CYS 38 -7.282 3.441 -5.592
253 HB2 CYS 38 1HB CYS 38 -6.544 3.704 -7.993
254 HB3 CYS 38 2HB CYS 38 -6.410 5.154 -7.004
255 H THR 39 H THR 39 -4.049 2.084 -5.842
256 HA THR 39 HA THR 39 -5.128 -0.389 -6.980
257 HB THR 39 HB THR 39 -2.677 -1.050 -7.096
258 HG1 THR 39 HG1 THR 39 -1.358 1.032 -7.112
259 HG21 THR 39 3HG2 THR 39 -3.920 1.194 -8.627
260 HG22 THR 39 1HG2 THR 39 -3.534 -0.444 -9.152
261 HG23 THR 39 2HG2 THR 39 -2.247 0.746 -8.956
262 H LEU 40 H LEU 40 -4.643 -2.440 -6.036
263 HA LEU 40 HA LEU 40 -3.563 -2.559 -3.364
264 HB2 LEU 40 1HB LEU 40 -5.456 -3.144 -2.186
265 HB3 LEU 40 2HB LEU 40 -6.045 -1.862 -3.242
266 HG LEU 40 HG LEU 40 -6.372 -4.781 -3.897
267 HD11 LEU 40 1HD1 LEU 40 -7.868 -3.080 -2.010
268 HD12 LEU 40 2HD1 LEU 40 -7.686 -4.833 -2.065
269 HD13 LEU 40 3HD1 LEU 40 -8.834 -4.032 -3.137
270 HD21 LEU 40 3HD2 LEU 40 -7.656 -2.240 -4.885
271 HD22 LEU 40 1HD2 LEU 40 -8.241 -3.858 -5.275
272 HD23 LEU 40 2HD2 LEU 40 -6.633 -3.353 -5.795
273 H TRP 41 H TRP 41 -3.900 -4.906 -2.491
274 HA TRP 41 HA TRP 41 -2.508 -6.683 -3.986
275 HB2 TRP 41 1HB TRP 41 -3.169 -8.366 -2.495
276 HB3 TRP 41 2HB TRP 41 -3.377 -6.887 -1.562
277 HD1 TRP 41 HD1 TRP 41 -5.578 -9.248 -3.723
278 HE1 TRP 41 HE1 TRP 41 -7.922 -9.331 -2.661
279 HE3 TRP 41 HE3 TRP 41 -4.867 -5.899 0.073
280 HZ2 TRP 41 HZ2 TRP 41 -9.288 -8.133 -0.501
281 HZ3 TRP 41 HZ3 TRP 41 -6.743 -5.422 1.593
282 HH2 TRP 41 HH2 TRP 41 -8.907 -6.517 1.309
283 H GLU 42 H GLU 42 -2.907 -8.280 -5.486
284 HA GLU 42 HA GLU 42 -5.632 -8.550 -6.522
285 HB2 GLU 42 1HB GLU 42 -3.220 -7.664 -8.076
286 HB3 GLU 42 2HB GLU 42 -4.537 -8.514 -8.872
287 HG2 GLU 42 1HG GLU 42 -4.999 -6.048 -7.232
288 HG3 GLU 42 2HG GLU 42 -4.565 -5.975 -8.939
289 H ALA 43 H ALA 43 -6.101 -10.637 -6.469
290 HA ALA 43 HA ALA 43 -4.090 -12.661 -6.299
291 HB1 ALA 43 3HB ALA 43 -6.960 -12.487 -5.966
292 HB2 ALA 43 1HB ALA 43 -6.485 -13.951 -6.825
293 HB3 ALA 43 2HB ALA 43 -5.805 -13.602 -5.236
294 H TYR 44 H TYR 44 -6.605 -11.950 -8.728
295 HA TYR 44 HA TYR 44 -4.888 -13.254 -10.736
296 HB2 TYR 44 1HB TYR 44 -7.806 -13.576 -10.196
297 HB3 TYR 44 2HB TYR 44 -7.252 -13.663 -11.865
298 HD1 TYR 44 HD1 TYR 44 -6.301 -15.036 -8.515
299 HD2 TYR 44 HD2 TYR 44 -6.739 -15.753 -12.687
300 HE1 TYR 44 HE1 TYR 44 -5.661 -17.387 -8.172
301 HE2 TYR 44 HE2 TYR 44 -6.101 -18.105 -12.355
302 HH TYR 44 HH TYR 44 -4.531 -19.288 -10.129
303 H SER 45 H SER 45 -4.309 -11.974 -12.355
304 HA SER 45 HA SER 45 -5.592 -9.375 -12.643
305 HB2 SER 45 1HB SER 45 -3.085 -10.539 -13.876
306 HB3 SER 45 2HB SER 45 -3.683 -8.913 -14.204
307 HG SER 45 HG SER 45 -2.918 -9.950 -11.673
308 H GLY 46 H GLY 46 -6.784 -8.737 -14.360
309 HA2 GLY 46 1HA GLY 46 -6.772 -10.144 -16.862
310 HA3 GLY 46 2HA GLY 46 -8.210 -10.483 -15.909
311 HA PRO 47 HA PRO 47 -8.263 -6.220 -18.180
312 HB2 PRO 47 1HB PRO 47 -9.121 -6.913 -20.661
313 HB3 PRO 47 2HB PRO 47 -7.410 -6.760 -20.243
314 HG2 PRO 47 1HG PRO 47 -9.098 -9.224 -20.442
315 HG3 PRO 47 2HG PRO 47 -7.444 -8.951 -21.020
316 HD2 PRO 47 1HD PRO 47 -7.985 -10.274 -18.720
317 HD3 PRO 47 2HD PRO 47 -6.526 -9.285 -18.932
318 H SER 48 H SER 48 -10.025 -6.046 -16.698
319 HA SER 48 HA SER 48 -12.596 -7.140 -17.541
320 HB2 SER 48 1HB SER 48 -11.780 -7.203 -15.127
321 HB3 SER 48 2HB SER 48 -12.064 -5.463 -15.087
322 HG SER 48 HG SER 48 -13.970 -6.203 -14.455
323 H SER 49 H SER 49 -14.380 -5.890 -18.054
324 HA SER 49 HA SER 49 -14.163 -3.001 -18.106
325 HB2 SER 49 1HB SER 49 -14.307 -4.660 -20.625
326 HB3 SER 49 2HB SER 49 -14.798 -2.966 -20.576
327 HG SER 49 HG SER 49 -12.701 -2.419 -19.962
328 H GLY 50 H GLY 50 -16.035 -2.312 -17.324
329 HA2 GLY 50 1HA GLY 50 -18.533 -3.189 -18.454
330 HA3 GLY 50 2HA GLY 50 -18.292 -3.742 -16.803
Start of MODEL 17
1 H1 GLY 1 H GLY 1 16.546 -1.345 27.292
2 HA2 GLY 1 1HA GLY 1 13.888 -0.807 26.125
3 HA3 GLY 1 2HA GLY 1 15.342 -0.741 25.139
4 H SER 2 H SER 2 12.890 -2.478 25.072
5 HA SER 2 HA SER 2 13.551 -5.099 25.842
6 HB2 SER 2 1HB SER 2 11.673 -5.798 24.582
7 HB3 SER 2 2HB SER 2 11.264 -4.177 25.142
8 HG SER 2 HG SER 2 12.118 -3.471 23.032
9 H SER 3 H SER 3 14.154 -6.905 24.521
10 HA SER 3 HA SER 3 16.456 -6.524 23.020
11 HB2 SER 3 1HB SER 3 14.562 -8.873 22.790
12 HB3 SER 3 2HB SER 3 16.281 -8.862 22.398
13 HG SER 3 HG SER 3 15.037 -8.729 24.923
14 H GLY 4 H GLY 4 16.428 -5.179 21.299
15 HA2 GLY 4 1HA GLY 4 16.203 -4.744 19.028
16 HA3 GLY 4 2HA GLY 4 15.099 -6.106 18.905
17 H SER 5 H SER 5 15.255 -2.921 18.435
18 HA SER 5 HA SER 5 12.842 -2.030 19.690
19 HB2 SER 5 1HB SER 5 13.135 -0.009 18.285
20 HB3 SER 5 2HB SER 5 14.611 -0.436 19.152
21 HG SER 5 HG SER 5 14.275 -1.507 16.604
22 H SER 6 H SER 6 11.013 -3.050 19.120
23 HA SER 6 HA SER 6 10.511 -3.681 16.315
24 HB2 SER 6 1HB SER 6 9.362 -4.555 18.921
25 HB3 SER 6 2HB SER 6 8.303 -4.593 17.512
26 HG SER 6 HG SER 6 9.563 -6.085 16.580
27 H GLY 7 H GLY 7 10.114 -1.668 15.405
28 HA2 GLY 7 1HA GLY 7 8.276 0.203 16.540
29 HA3 GLY 7 2HA GLY 7 8.957 0.266 14.921
30 H ASN 8 H ASN 8 7.174 0.661 13.720
31 HA ASN 8 HA ASN 8 4.927 -1.225 13.982
32 HB2 ASN 8 1HB ASN 8 4.201 1.033 14.417
33 HB3 ASN 8 2HB ASN 8 4.986 1.617 12.951
34 HD21 ASN 8 1HD2 ASN 8 2.225 0.076 14.295
35 HD22 ASN 8 2HD2 ASN 8 1.290 -0.002 12.844
36 HA PRO 9 HA PRO 9 6.948 -2.269 9.968
37 HB2 PRO 9 1HB PRO 9 6.511 -4.938 10.199
38 HB3 PRO 9 2HB PRO 9 7.912 -4.129 10.911
39 HG2 PRO 9 1HG PRO 9 5.346 -4.965 12.207
40 HG3 PRO 9 2HG PRO 9 7.006 -5.118 12.812
41 HD2 PRO 9 1HD PRO 9 5.333 -3.153 13.630
42 HD3 PRO 9 2HD PRO 9 7.089 -2.922 13.507
43 H HIS 10 H HIS 10 5.517 -1.583 8.466
44 HA HIS 10 HA HIS 10 2.768 -2.401 8.454
45 HB2 HIS 10 1HB HIS 10 2.546 -1.034 6.487
46 HB3 HIS 10 2HB HIS 10 3.574 -0.176 7.631
47 HD2 HIS 10 HD2 HIS 10 6.234 0.172 6.820
48 HE1 HIS 10 HE1 HIS 10 5.679 -1.399 2.918
49 HE2 HIS 10 HE2 HIS 10 7.271 -0.235 4.485
50 H LEU 11 H LEU 11 1.726 -3.759 7.004
51 HA LEU 11 HA LEU 11 3.290 -5.229 5.047
52 HB2 LEU 11 1HB LEU 11 3.717 -6.802 6.621
53 HB3 LEU 11 2HB LEU 11 2.315 -6.363 7.595
54 HG LEU 11 HG LEU 11 1.840 -7.754 5.009
55 HD11 LEU 11 1HD1 LEU 11 2.414 -9.416 7.411
56 HD12 LEU 11 2HD1 LEU 11 3.761 -8.857 6.420
57 HD13 LEU 11 3HD1 LEU 11 2.485 -9.838 5.700
58 HD21 LEU 11 3HD2 LEU 11 0.528 -7.458 7.667
59 HD22 LEU 11 1HD2 LEU 11 0.191 -8.898 6.705
60 HD23 LEU 11 2HD2 LEU 11 -0.151 -7.298 6.047
61 H LEU 12 H LEU 12 2.108 -5.745 3.300
62 HA LEU 12 HA LEU 12 0.346 -5.920 1.875
63 HB2 LEU 12 1HB LEU 12 -1.095 -6.592 4.433
64 HB3 LEU 12 2HB LEU 12 -1.817 -6.722 2.831
65 HG LEU 12 HG LEU 12 0.702 -8.211 3.429
66 HD11 LEU 12 1HD1 LEU 12 -0.218 -9.612 4.882
67 HD12 LEU 12 2HD1 LEU 12 -1.634 -9.834 3.856
68 HD13 LEU 12 3HD1 LEU 12 -1.581 -8.500 5.008
69 HD21 LEU 12 3HD2 LEU 12 0.111 -8.397 1.193
70 HD22 LEU 12 1HD2 LEU 12 -1.615 -8.452 1.550
71 HD23 LEU 12 2HD2 LEU 12 -0.597 -9.847 1.907
72 H VAL 13 H VAL 13 0.997 -3.377 2.456
73 HA VAL 13 HA VAL 13 -1.527 -1.982 3.019
74 HB VAL 13 HB VAL 13 -0.055 0.072 3.124
75 HG11 VAL 13 1HG1 VAL 13 0.581 -2.106 5.109
76 HG12 VAL 13 2HG1 VAL 13 0.671 -0.365 5.384
77 HG13 VAL 13 3HG1 VAL 13 -0.892 -1.137 5.112
78 HG21 VAL 13 3HG2 VAL 13 2.248 -1.804 3.479
79 HG22 VAL 13 1HG2 VAL 13 1.820 -1.216 1.872
80 HG23 VAL 13 2HG2 VAL 13 2.257 -0.073 3.143
81 H LYS 14 H LYS 14 -2.380 -0.483 1.593
82 HA LYS 14 HA LYS 14 -1.816 -0.952 -1.179
83 HB2 LYS 14 1HB LYS 14 -3.783 0.719 0.340
84 HB3 LYS 14 2HB LYS 14 -3.547 1.013 -1.377
85 HG2 LYS 14 1HG LYS 14 -5.282 -0.469 -1.437
86 HG3 LYS 14 2HG LYS 14 -3.912 -1.577 -1.553
87 HD2 LYS 14 1HD LYS 14 -5.129 -2.602 0.097
88 HD3 LYS 14 2HD LYS 14 -4.098 -1.554 1.073
89 HE2 LYS 14 1HE LYS 14 -6.028 0.157 0.825
90 HE3 LYS 14 2HE LYS 14 -6.995 -1.248 0.378
91 HZ1 LYS 14 3HZ LYS 14 -6.775 -0.462 2.862
92 HZ2 LYS 14 1HZ LYS 14 -5.380 -1.419 2.811
93 HZ3 LYS 14 2HZ LYS 14 -6.888 -2.102 2.466
94 H TYR 15 H TYR 15 -1.292 0.704 -2.736
95 HA TYR 15 HA TYR 15 -0.045 3.131 -1.721
96 HB2 TYR 15 1HB TYR 15 2.053 2.695 -2.972
97 HB3 TYR 15 2HB TYR 15 1.799 1.558 -1.652
98 HD1 TYR 15 HD1 TYR 15 1.472 1.942 -5.332
99 HD2 TYR 15 HD2 TYR 15 1.769 -0.755 -2.054
100 HE1 TYR 15 HE1 TYR 15 1.736 0.068 -6.904
101 HE2 TYR 15 HE2 TYR 15 2.035 -2.635 -3.617
102 HH TYR 15 HH TYR 15 2.318 -2.112 -7.090
103 H HIS 16 H HIS 16 0.954 4.341 -3.737
104 HA HIS 16 HA HIS 16 -1.105 4.258 -5.837
105 HB2 HIS 16 1HB HIS 16 0.447 6.496 -4.592
106 HB3 HIS 16 2HB HIS 16 -0.145 6.672 -6.241
107 HD2 HIS 16 HD2 HIS 16 -1.322 7.474 -2.816
108 HE1 HIS 16 HE1 HIS 16 -4.868 6.809 -5.049
109 HE2 HIS 16 HE2 HIS 16 -3.885 7.798 -2.951
110 H SER 17 H SER 17 -0.512 3.641 -7.803
111 HA SER 17 HA SER 17 2.292 3.218 -8.392
112 HB2 SER 17 1HB SER 17 1.459 2.134 -10.450
113 HB3 SER 17 2HB SER 17 0.672 1.488 -9.010
114 HG SER 17 HG SER 17 -0.564 2.313 -11.065
115 H GLY 18 H GLY 18 1.394 5.957 -8.130
116 HA2 GLY 18 1HA GLY 18 2.574 7.005 -10.526
117 HA3 GLY 18 2HA GLY 18 0.852 7.342 -10.430
118 H PHE 19 H PHE 19 2.950 9.281 -10.454
119 HA PHE 19 HA PHE 19 3.375 10.237 -7.788
120 HB2 PHE 19 1HB PHE 19 3.701 11.826 -10.331
121 HB3 PHE 19 2HB PHE 19 4.518 12.072 -8.792
122 HD1 PHE 19 HD2 PHE 19 5.936 10.000 -7.970
123 HD2 PHE 19 HD1 PHE 19 4.835 10.753 -12.012
124 HE1 PHE 19 HE2 PHE 19 7.803 8.593 -8.737
125 HE2 PHE 19 HE1 PHE 19 6.699 9.346 -12.786
126 HZ PHE 19 HZ PHE 19 8.187 8.266 -11.147
127 H PHE 20 H PHE 20 2.886 12.805 -7.620
128 HA PHE 20 HA PHE 20 0.037 13.179 -8.253
129 HB2 PHE 20 1HB PHE 20 0.268 12.534 -5.890
130 HB3 PHE 20 2HB PHE 20 1.390 13.867 -5.635
131 HD1 PHE 20 HD2 PHE 20 0.567 16.214 -5.846
132 HD2 PHE 20 HD1 PHE 20 -2.060 12.865 -5.832
133 HE1 PHE 20 HE2 PHE 20 -1.319 17.700 -5.310
134 HE2 PHE 20 HE1 PHE 20 -3.950 14.346 -5.296
135 HZ PHE 20 HZ PHE 20 -3.581 16.767 -5.035
136 H VAL 21 H VAL 21 0.193 14.688 -9.820
137 HA VAL 21 HA VAL 21 1.471 17.233 -9.090
138 HB VAL 21 HB VAL 21 2.450 17.534 -11.209
139 HG11 VAL 21 1HG1 VAL 21 4.006 16.221 -10.203
140 HG12 VAL 21 2HG1 VAL 21 2.881 14.883 -9.961
141 HG13 VAL 21 3HG1 VAL 21 3.602 15.156 -11.548
142 HG21 VAL 21 3HG2 VAL 21 2.097 15.540 -12.919
143 HG22 VAL 21 1HG2 VAL 21 0.572 15.392 -12.046
144 HG23 VAL 21 2HG2 VAL 21 0.987 16.909 -12.845
145 H ASP 22 H ASP 22 0.771 18.973 -10.777
146 HA ASP 22 HA ASP 22 -0.983 20.338 -11.329
147 HB2 ASP 22 1HB ASP 22 -0.678 18.584 -13.251
148 HB3 ASP 22 2HB ASP 22 -2.234 17.977 -12.688
149 H GLY 23 H GLY 23 -1.326 19.345 -8.777
150 HA2 GLY 23 1HA GLY 23 -2.912 19.014 -7.148
151 HA3 GLY 23 2HA GLY 23 -3.994 19.866 -8.240
152 H LYS 24 H LYS 24 -2.422 16.736 -8.737
153 HA LYS 24 HA LYS 24 -4.672 15.159 -8.066
154 HB2 LYS 24 1HB LYS 24 -5.529 14.562 -10.205
155 HB3 LYS 24 2HB LYS 24 -5.501 16.320 -10.147
156 HG2 LYS 24 1HG LYS 24 -3.611 16.431 -11.560
157 HG3 LYS 24 2HG LYS 24 -3.307 14.699 -11.406
158 HD2 LYS 24 1HD LYS 24 -5.696 14.471 -12.425
159 HD3 LYS 24 2HD LYS 24 -5.417 16.125 -12.976
160 HE2 LYS 24 1HE LYS 24 -3.369 13.997 -13.463
161 HE3 LYS 24 2HE LYS 24 -4.776 14.134 -14.516
162 HZ1 LYS 24 3HZ LYS 24 -4.017 16.638 -14.537
163 HZ2 LYS 24 1HZ LYS 24 -3.346 15.503 -15.597
164 HZ3 LYS 24 2HZ LYS 24 -2.509 15.951 -14.197
165 H PHE 25 H PHE 25 -4.426 12.877 -9.065
166 HA PHE 25 HA PHE 25 -1.612 12.157 -8.797
167 HB2 PHE 25 1HB PHE 25 -4.201 10.672 -8.548
168 HB3 PHE 25 2HB PHE 25 -2.718 9.774 -8.857
169 HD1 PHE 25 HD1 PHE 25 -0.704 10.474 -7.266
170 HD2 PHE 25 HD2 PHE 25 -4.835 10.967 -6.368
171 HE1 PHE 25 HE1 PHE 25 -0.172 10.526 -4.864
172 HE2 PHE 25 HE2 PHE 25 -4.310 11.021 -3.965
173 HZ PHE 25 HZ PHE 25 -1.976 10.801 -3.210
174 H LEU 26 H LEU 26 -0.912 10.219 -10.182
175 HA LEU 26 HA LEU 26 -1.658 10.790 -12.971
176 HB2 LEU 26 1HB LEU 26 0.897 9.911 -11.685
177 HB3 LEU 26 2HB LEU 26 0.601 9.596 -13.393
178 HG LEU 26 HG LEU 26 1.977 11.632 -12.896
179 HD11 LEU 26 1HD1 LEU 26 0.979 12.943 -14.609
180 HD12 LEU 26 2HD1 LEU 26 -0.611 12.245 -14.305
181 HD13 LEU 26 3HD1 LEU 26 0.670 11.251 -15.001
182 HD21 LEU 26 3HD2 LEU 26 -0.522 13.080 -12.198
183 HD22 LEU 26 1HD2 LEU 26 1.154 13.452 -11.795
184 HD23 LEU 26 2HD2 LEU 26 0.300 12.177 -10.926
185 H CYS 27 H CYS 27 -1.639 8.401 -10.522
186 HA CYS 27 HA CYS 27 -1.933 6.198 -12.410
187 HB2 CYS 27 1HB CYS 27 -2.140 4.850 -10.241
188 HB3 CYS 27 2HB CYS 27 -0.581 5.594 -10.577
189 H CYS 28 H CYS 28 -3.793 7.952 -9.973
190 HA CYS 28 HA CYS 28 -6.226 6.627 -10.981
191 HB2 CYS 28 1HB CYS 28 -7.135 7.408 -8.651
192 HB3 CYS 28 2HB CYS 28 -6.171 5.939 -8.772
193 H GLN 29 H GLN 29 -4.575 9.582 -10.441
194 HA GLN 29 HA GLN 29 -5.096 11.766 -10.814
195 HB2 GLN 29 1HB GLN 29 -7.235 10.630 -12.620
196 HB3 GLN 29 2HB GLN 29 -6.530 12.238 -12.708
197 HG2 GLN 29 1HG GLN 29 -5.358 11.214 -14.359
198 HG3 GLN 29 2HG GLN 29 -4.298 10.875 -12.992
199 HE21 GLN 29 1HE2 GLN 29 -3.670 9.198 -14.667
200 HE22 GLN 29 2HE2 GLN 29 -4.475 7.673 -14.565
201 H GLN 30 H GLN 30 -6.143 10.888 -8.479
202 HA GLN 30 HA GLN 30 -8.958 11.556 -8.343
203 HB2 GLN 30 1HB GLN 30 -6.918 10.530 -6.417
204 HB3 GLN 30 2HB GLN 30 -8.375 11.287 -5.786
205 HG2 GLN 30 1HG GLN 30 -9.576 9.645 -7.429
206 HG3 GLN 30 2HG GLN 30 -8.062 8.749 -7.308
207 HE21 GLN 30 1HE2 GLN 30 -7.709 7.513 -5.571
208 HE22 GLN 30 2HE2 GLN 30 -8.746 7.424 -4.193
209 H SER 31 H SER 31 -9.714 13.537 -8.048
210 HA SER 31 HA SER 31 -8.260 15.847 -7.970
211 HB2 SER 31 1HB SER 31 -10.814 15.500 -8.219
212 HB3 SER 31 2HB SER 31 -10.859 15.659 -6.464
213 HG SER 31 HG SER 31 -9.463 17.584 -7.934
214 H CYS 32 H CYS 32 -9.481 14.026 -5.179
215 HA CYS 32 HA CYS 32 -8.482 15.804 -3.216
216 HB2 CYS 32 1HB CYS 32 -8.966 12.846 -2.850
217 HB3 CYS 32 2HB CYS 32 -9.025 14.106 -1.622
218 H LYS 33 H LYS 33 -6.757 15.344 -1.673
219 HA LYS 33 HA LYS 33 -4.431 14.174 -3.030
220 HB2 LYS 33 1HB LYS 33 -4.463 16.600 -2.178
221 HB3 LYS 33 2HB LYS 33 -4.348 15.904 -0.566
222 HG2 LYS 33 1HG LYS 33 -2.288 14.669 -1.446
223 HG3 LYS 33 2HG LYS 33 -2.349 15.804 -2.796
224 HD2 LYS 33 1HD LYS 33 -1.978 17.655 -1.400
225 HD3 LYS 33 2HD LYS 33 -2.374 16.742 0.058
226 HE2 LYS 33 1HE LYS 33 0.006 16.162 -1.697
227 HE3 LYS 33 2HE LYS 33 0.068 17.199 -0.273
228 HZ1 LYS 33 3HZ LYS 33 0.624 14.648 -0.142
229 HZ2 LYS 33 1HZ LYS 33 -1.054 14.516 0.041
230 HZ3 LYS 33 2HZ LYS 33 -0.153 15.445 1.131
231 H ALA 34 H ALA 34 -5.900 14.357 0.211
232 HA ALA 34 HA ALA 34 -4.326 12.115 1.138
233 HB1 ALA 34 3HB ALA 34 -5.400 12.469 3.271
234 HB2 ALA 34 1HB ALA 34 -4.866 14.018 2.618
235 HB3 ALA 34 2HB ALA 34 -6.569 13.567 2.536
236 H ALA 35 H ALA 35 -5.989 11.501 -1.074
237 HA ALA 35 HA ALA 35 -8.333 10.125 -0.119
238 HB1 ALA 35 3HB ALA 35 -7.542 11.116 -2.563
239 HB2 ALA 35 1HB ALA 35 -7.417 9.370 -2.774
240 HB3 ALA 35 2HB ALA 35 -8.944 10.090 -2.264
241 HA PRO 36 HA PRO 36 -6.691 6.138 0.692
242 HB2 PRO 36 1HB PRO 36 -8.564 4.491 -0.380
243 HB3 PRO 36 2HB PRO 36 -8.841 5.432 1.090
244 HG2 PRO 36 1HG PRO 36 -9.692 6.015 -1.720
245 HG3 PRO 36 2HG PRO 36 -10.612 6.186 -0.213
246 HD2 PRO 36 1HD PRO 36 -9.441 8.290 -1.453
247 HD3 PRO 36 2HD PRO 36 -9.620 8.200 0.311
248 H GLY 37 H GLY 37 -5.478 4.466 -0.179
249 HA2 GLY 37 1HA GLY 37 -4.240 4.841 -2.630
250 HA3 GLY 37 2HA GLY 37 -4.258 3.320 -1.750
251 H CYS 38 H CYS 38 -4.787 4.492 -4.673
252 HA CYS 38 HA CYS 38 -7.339 3.412 -5.350
253 HB2 CYS 38 1HB CYS 38 -6.663 3.813 -7.672
254 HB3 CYS 38 2HB CYS 38 -6.309 5.212 -6.663
255 H THR 39 H THR 39 -4.000 2.283 -5.745
256 HA THR 39 HA THR 39 -4.533 -0.069 -7.149
257 HB THR 39 HB THR 39 -2.329 0.279 -5.111
258 HG1 THR 39 HG1 THR 39 -1.142 1.173 -6.832
259 HG21 THR 39 3HG2 THR 39 -1.354 -1.558 -5.991
260 HG22 THR 39 1HG2 THR 39 -1.874 -1.174 -7.632
261 HG23 THR 39 2HG2 THR 39 -2.993 -1.948 -6.510
262 H LEU 40 H LEU 40 -6.277 -1.214 -6.378
263 HA LEU 40 HA LEU 40 -5.768 -2.986 -4.189
264 HB2 LEU 40 1HB LEU 40 -6.514 -1.146 -2.865
265 HB3 LEU 40 2HB LEU 40 -7.893 -0.869 -3.928
266 HG LEU 40 HG LEU 40 -8.772 -3.113 -3.186
267 HD11 LEU 40 1HD1 LEU 40 -6.918 -2.863 -0.855
268 HD12 LEU 40 2HD1 LEU 40 -6.425 -3.747 -2.298
269 HD13 LEU 40 3HD1 LEU 40 -7.854 -4.256 -1.398
270 HD21 LEU 40 3HD2 LEU 40 -8.592 -0.632 -1.620
271 HD22 LEU 40 1HD2 LEU 40 -9.097 -2.059 -0.714
272 HD23 LEU 40 2HD2 LEU 40 -10.006 -1.552 -2.138
273 H TRP 41 H TRP 41 -7.343 -4.681 -4.026
274 HA TRP 41 HA TRP 41 -9.031 -4.902 -6.432
275 HB2 TRP 41 1HB TRP 41 -8.750 -7.413 -6.056
276 HB3 TRP 41 2HB TRP 41 -7.336 -6.537 -6.634
277 HD1 TRP 41 HD1 TRP 41 -5.306 -6.198 -4.894
278 HE1 TRP 41 HE1 TRP 41 -4.651 -7.504 -2.775
279 HE3 TRP 41 HE3 TRP 41 -9.701 -8.680 -4.079
280 HZ2 TRP 41 HZ2 TRP 41 -5.839 -9.343 -0.994
281 HZ3 TRP 41 HZ3 TRP 41 -9.859 -10.194 -2.146
282 HH2 TRP 41 HH2 TRP 41 -7.967 -10.518 -0.637
283 H GLU 42 H GLU 42 -10.991 -6.192 -6.206
284 HA GLU 42 HA GLU 42 -12.015 -6.340 -3.457
285 HB2 GLU 42 1HB GLU 42 -13.453 -5.118 -5.818
286 HB3 GLU 42 2HB GLU 42 -14.195 -5.452 -4.259
287 HG2 GLU 42 1HG GLU 42 -13.693 -3.248 -4.005
288 HG3 GLU 42 2HG GLU 42 -12.223 -3.975 -3.360
289 H ALA 43 H ALA 43 -14.256 -7.495 -3.515
290 HA ALA 43 HA ALA 43 -13.845 -9.977 -5.004
291 HB1 ALA 43 3HB ALA 43 -16.035 -9.675 -3.015
292 HB2 ALA 43 1HB ALA 43 -15.009 -11.066 -3.366
293 HB3 ALA 43 2HB ALA 43 -14.371 -9.710 -2.434
294 H TYR 44 H TYR 44 -14.683 -7.834 -6.573
295 HA TYR 44 HA TYR 44 -17.535 -8.351 -7.049
296 HB2 TYR 44 1HB TYR 44 -15.718 -6.057 -7.679
297 HB3 TYR 44 2HB TYR 44 -17.152 -6.318 -8.666
298 HD1 TYR 44 HD2 TYR 44 -19.411 -6.396 -7.490
299 HD2 TYR 44 HD1 TYR 44 -15.872 -4.976 -5.603
300 HE1 TYR 44 HE2 TYR 44 -20.781 -5.223 -5.816
301 HE2 TYR 44 HE1 TYR 44 -17.231 -3.802 -3.924
302 HH TYR 44 HH TYR 44 -20.709 -4.212 -3.762
303 H SER 45 H SER 45 -18.194 -9.438 -8.791
304 HA SER 45 HA SER 45 -16.162 -10.259 -10.743
305 HB2 SER 45 1HB SER 45 -18.906 -11.445 -10.272
306 HB3 SER 45 2HB SER 45 -17.625 -12.119 -11.280
307 HG SER 45 HG SER 45 -17.008 -11.590 -8.616
308 H GLY 46 H GLY 46 -17.103 -7.668 -11.023
309 HA2 GLY 46 1HA GLY 46 -17.505 -6.562 -13.106
310 HA3 GLY 46 2HA GLY 46 -18.534 -7.906 -13.581
311 HA PRO 47 HA PRO 47 -21.009 -5.111 -10.465
312 HB2 PRO 47 1HB PRO 47 -20.061 -2.580 -10.205
313 HB3 PRO 47 2HB PRO 47 -19.573 -3.904 -9.139
314 HG2 PRO 47 1HG PRO 47 -18.145 -2.754 -11.504
315 HG3 PRO 47 2HG PRO 47 -17.491 -3.231 -9.927
316 HD2 PRO 47 1HD PRO 47 -17.275 -4.796 -12.126
317 HD3 PRO 47 2HD PRO 47 -17.424 -5.465 -10.488
318 H SER 48 H SER 48 -19.340 -3.366 -13.081
319 HA SER 48 HA SER 48 -21.811 -2.062 -13.873
320 HB2 SER 48 1HB SER 48 -19.732 -0.769 -13.933
321 HB3 SER 48 2HB SER 48 -19.032 -1.924 -15.068
322 HG SER 48 HG SER 48 -21.327 -0.317 -15.533
323 H SER 49 H SER 49 -22.592 -2.158 -16.088
324 HA SER 49 HA SER 49 -23.256 -4.650 -16.974
325 HB2 SER 49 1HB SER 49 -23.983 -2.236 -17.775
326 HB3 SER 49 2HB SER 49 -22.803 -2.544 -19.049
327 HG SER 49 HG SER 49 -24.107 -4.705 -19.051
328 H GLY 50 H GLY 50 -22.182 -6.303 -17.818
329 HA2 GLY 50 1HA GLY 50 -20.632 -7.503 -19.026
330 HA3 GLY 50 2HA GLY 50 -20.190 -6.006 -19.832
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -23.434 20.999 3.464
2 HA2 GLY 1 1HA GLY 1 -22.046 19.750 5.008
3 HA3 GLY 1 2HA GLY 1 -21.036 20.220 3.650
4 H SER 2 H SER 2 -19.919 19.643 6.094
5 HA SER 2 HA SER 2 -18.463 22.039 6.615
6 HB2 SER 2 1HB SER 2 -19.042 22.151 9.061
7 HB3 SER 2 2HB SER 2 -20.350 22.637 7.983
8 HG SER 2 HG SER 2 -21.503 21.099 8.805
9 H SER 3 H SER 3 -16.464 21.306 6.807
10 HA SER 3 HA SER 3 -15.993 18.879 8.403
11 HB2 SER 3 1HB SER 3 -15.796 18.275 6.045
12 HB3 SER 3 2HB SER 3 -14.663 19.599 5.779
13 HG SER 3 HG SER 3 -13.536 18.361 7.667
14 H GLY 4 H GLY 4 -15.171 19.816 10.206
15 HA2 GLY 4 1HA GLY 4 -12.907 21.677 9.848
16 HA3 GLY 4 2HA GLY 4 -13.964 21.657 11.251
17 H SER 5 H SER 5 -11.984 19.275 9.478
18 HA SER 5 HA SER 5 -10.921 18.394 12.083
19 HB2 SER 5 1HB SER 5 -12.245 16.628 11.101
20 HB3 SER 5 2HB SER 5 -11.410 16.799 9.558
21 HG SER 5 HG SER 5 -10.340 15.170 10.471
22 H SER 6 H SER 6 -8.715 17.721 12.155
23 HA SER 6 HA SER 6 -7.044 19.235 10.299
24 HB2 SER 6 1HB SER 6 -6.459 17.921 12.959
25 HB3 SER 6 2HB SER 6 -5.224 18.695 11.966
26 HG SER 6 HG SER 6 -6.162 20.640 12.293
27 H GLY 7 H GLY 7 -7.064 15.980 11.766
28 HA2 GLY 7 1HA GLY 7 -5.683 15.014 9.338
29 HA3 GLY 7 2HA GLY 7 -5.356 14.377 10.943
30 H ASN 8 H ASN 8 -6.871 13.707 8.132
31 HA ASN 8 HA ASN 8 -9.304 12.553 9.120
32 HB2 ASN 8 1HB ASN 8 -9.783 12.015 6.914
33 HB3 ASN 8 2HB ASN 8 -8.723 13.406 6.714
34 HD21 ASN 8 1HD2 ASN 8 -6.457 12.971 6.278
35 HD22 ASN 8 2HD2 ASN 8 -6.033 11.559 5.376
36 HA PRO 9 HA PRO 9 -7.759 8.662 10.477
37 HB2 PRO 9 1HB PRO 9 -10.008 7.171 10.191
38 HB3 PRO 9 2HB PRO 9 -9.806 8.366 11.478
39 HG2 PRO 9 1HG PRO 9 -11.262 8.615 8.874
40 HG3 PRO 9 2HG PRO 9 -11.752 9.163 10.487
41 HD2 PRO 9 1HD PRO 9 -10.704 10.837 8.634
42 HD3 PRO 9 2HD PRO 9 -10.445 11.059 10.377
43 H HIS 10 H HIS 10 -6.614 7.099 9.521
44 HA HIS 10 HA HIS 10 -6.719 6.732 6.691
45 HB2 HIS 10 1HB HIS 10 -5.249 4.948 8.622
46 HB3 HIS 10 2HB HIS 10 -4.840 5.317 6.950
47 HD2 HIS 10 HD2 HIS 10 -3.990 8.131 6.632
48 HE1 HIS 10 HE1 HIS 10 -2.578 8.286 10.631
49 HE2 HIS 10 HE2 HIS 10 -2.622 9.442 8.393
50 H LEU 11 H LEU 11 -7.740 5.225 5.519
51 HA LEU 11 HA LEU 11 -8.604 2.728 6.670
52 HB2 LEU 11 1HB LEU 11 -10.540 3.660 7.384
53 HB3 LEU 11 2HB LEU 11 -10.460 4.979 6.218
54 HG LEU 11 HG LEU 11 -11.076 2.259 5.191
55 HD11 LEU 11 1HD1 LEU 11 -13.112 2.044 6.105
56 HD12 LEU 11 2HD1 LEU 11 -13.424 3.779 6.070
57 HD13 LEU 11 3HD1 LEU 11 -12.464 3.082 7.375
58 HD21 LEU 11 3HD2 LEU 11 -12.670 3.722 3.829
59 HD22 LEU 11 1HD2 LEU 11 -10.941 3.911 3.539
60 HD23 LEU 11 2HD2 LEU 11 -11.805 5.094 4.523
61 H LEU 12 H LEU 12 -8.847 1.159 5.150
62 HA LEU 12 HA LEU 12 -8.482 0.135 3.143
63 HB2 LEU 12 1HB LEU 12 -10.346 2.376 2.409
64 HB3 LEU 12 2HB LEU 12 -9.855 1.137 1.255
65 HG LEU 12 HG LEU 12 -11.118 0.347 3.849
66 HD11 LEU 12 1HD1 LEU 12 -12.468 1.545 1.465
67 HD12 LEU 12 2HD1 LEU 12 -12.760 1.833 3.180
68 HD13 LEU 12 3HD1 LEU 12 -13.283 0.321 2.438
69 HD21 LEU 12 3HD2 LEU 12 -11.865 -1.072 1.445
70 HD22 LEU 12 1HD2 LEU 12 -11.132 -1.678 2.930
71 HD23 LEU 12 2HD2 LEU 12 -10.113 -1.021 1.649
72 H VAL 13 H VAL 13 -6.363 1.763 3.826
73 HA VAL 13 HA VAL 13 -5.619 3.091 1.309
74 HB VAL 13 HB VAL 13 -3.723 4.049 2.700
75 HG11 VAL 13 1HG1 VAL 13 -4.963 5.902 3.075
76 HG12 VAL 13 2HG1 VAL 13 -6.185 4.995 2.183
77 HG13 VAL 13 3HG1 VAL 13 -6.216 5.020 3.947
78 HG21 VAL 13 3HG2 VAL 13 -4.450 2.220 4.552
79 HG22 VAL 13 1HG2 VAL 13 -3.553 3.693 4.919
80 HG23 VAL 13 2HG2 VAL 13 -5.300 3.643 5.153
81 H LYS 14 H LYS 14 -3.893 2.424 0.140
82 HA LYS 14 HA LYS 14 -2.251 0.239 1.226
83 HB2 LYS 14 1HB LYS 14 -3.331 0.363 -1.594
84 HB3 LYS 14 2HB LYS 14 -2.315 -0.906 -0.922
85 HG2 LYS 14 1HG LYS 14 -4.026 -1.852 0.244
86 HG3 LYS 14 2HG LYS 14 -4.889 -0.325 0.435
87 HD2 LYS 14 1HD LYS 14 -4.600 -1.438 -2.308
88 HD3 LYS 14 2HD LYS 14 -5.742 -2.219 -1.211
89 HE2 LYS 14 1HE LYS 14 -7.124 -0.399 -1.136
90 HE3 LYS 14 2HE LYS 14 -5.812 0.745 -1.419
91 HZ1 LYS 14 3HZ LYS 14 -6.550 -1.095 -3.579
92 HZ2 LYS 14 1HZ LYS 14 -5.941 0.481 -3.666
93 HZ3 LYS 14 2HZ LYS 14 -7.564 0.222 -3.269
94 H TYR 15 H TYR 15 -2.356 1.970 -1.880
95 HA TYR 15 HA TYR 15 -0.136 3.627 -1.387
96 HB2 TYR 15 1HB TYR 15 1.672 2.517 -2.311
97 HB3 TYR 15 2HB TYR 15 0.841 1.196 -1.498
98 HD1 TYR 15 HD2 TYR 15 -1.123 0.164 -3.127
99 HD2 TYR 15 HD1 TYR 15 2.512 1.984 -4.382
100 HE1 TYR 15 HE2 TYR 15 -1.242 -1.074 -5.249
101 HE2 TYR 15 HE1 TYR 15 2.402 0.752 -6.509
102 HH TYR 15 HH TYR 15 0.856 -1.811 -7.071
103 H HIS 16 H HIS 16 0.853 4.367 -3.600
104 HA HIS 16 HA HIS 16 -1.282 4.437 -5.625
105 HB2 HIS 16 1HB HIS 16 0.169 6.710 -4.330
106 HB3 HIS 16 2HB HIS 16 -0.339 6.869 -6.008
107 HD2 HIS 16 HD2 HIS 16 -1.809 7.085 -2.469
108 HE1 HIS 16 HE1 HIS 16 -5.044 7.357 -5.200
109 HE2 HIS 16 HE2 HIS 16 -4.303 7.678 -2.815
110 H SER 17 H SER 17 -0.559 3.591 -7.452
111 HA SER 17 HA SER 17 2.277 3.393 -7.979
112 HB2 SER 17 1HB SER 17 0.367 1.652 -8.488
113 HB3 SER 17 2HB SER 17 0.199 2.582 -9.976
114 HG SER 17 HG SER 17 2.259 2.063 -10.538
115 H GLY 18 H GLY 18 1.472 6.049 -7.910
116 HA2 GLY 18 1HA GLY 18 2.335 6.909 -10.523
117 HA3 GLY 18 2HA GLY 18 0.673 7.348 -10.159
118 H PHE 19 H PHE 19 2.340 9.368 -10.662
119 HA PHE 19 HA PHE 19 3.338 10.379 -8.106
120 HB2 PHE 19 1HB PHE 19 3.638 11.386 -10.939
121 HB3 PHE 19 2HB PHE 19 4.253 12.246 -9.531
122 HD1 PHE 19 HD2 PHE 19 5.794 10.815 -7.953
123 HD2 PHE 19 HD1 PHE 19 5.034 9.940 -12.049
124 HE1 PHE 19 HE2 PHE 19 7.867 9.494 -8.052
125 HE2 PHE 19 HE1 PHE 19 7.106 8.616 -12.154
126 HZ PHE 19 HZ PHE 19 8.526 8.394 -10.154
127 H PHE 20 H PHE 20 2.926 12.744 -7.664
128 HA PHE 20 HA PHE 20 0.087 13.327 -8.176
129 HB2 PHE 20 1HB PHE 20 0.765 12.926 -5.796
130 HB3 PHE 20 2HB PHE 20 1.795 14.349 -5.900
131 HD1 PHE 20 HD1 PHE 20 -1.689 13.162 -5.948
132 HD2 PHE 20 HD2 PHE 20 0.895 16.537 -5.748
133 HE1 PHE 20 HE1 PHE 20 -3.598 14.581 -5.319
134 HE2 PHE 20 HE2 PHE 20 -1.010 17.962 -5.118
135 HZ PHE 20 HZ PHE 20 -3.259 16.985 -4.902
136 H VAL 21 H VAL 21 -0.072 14.734 -9.805
137 HA VAL 21 HA VAL 21 1.515 17.202 -9.646
138 HB VAL 21 HB VAL 21 0.944 15.728 -12.220
139 HG11 VAL 21 1HG1 VAL 21 1.475 18.427 -11.755
140 HG12 VAL 21 2HG1 VAL 21 3.001 17.743 -12.320
141 HG13 VAL 21 3HG1 VAL 21 1.544 17.577 -13.299
142 HG21 VAL 21 3HG2 VAL 21 3.444 15.441 -12.264
143 HG22 VAL 21 1HG2 VAL 21 3.455 15.943 -10.573
144 HG23 VAL 21 2HG2 VAL 21 2.596 14.478 -11.054
145 H ASP 22 H ASP 22 0.471 19.066 -10.267
146 HA ASP 22 HA ASP 22 -1.274 20.479 -10.635
147 HB2 ASP 22 1HB ASP 22 -2.028 18.142 -12.366
148 HB3 ASP 22 2HB ASP 22 -3.114 19.520 -12.202
149 H GLY 23 H GLY 23 -1.307 19.083 -8.231
150 HA2 GLY 23 1HA GLY 23 -2.686 18.562 -6.471
151 HA3 GLY 23 2HA GLY 23 -3.885 19.547 -7.295
152 H LYS 24 H LYS 24 -2.419 16.505 -8.362
153 HA LYS 24 HA LYS 24 -4.597 14.853 -7.646
154 HB2 LYS 24 1HB LYS 24 -5.510 14.446 -9.917
155 HB3 LYS 24 2HB LYS 24 -5.825 16.075 -9.332
156 HG2 LYS 24 1HG LYS 24 -4.394 17.045 -10.840
157 HG3 LYS 24 2HG LYS 24 -3.420 15.583 -11.019
158 HD2 LYS 24 1HD LYS 24 -4.570 15.656 -13.027
159 HD3 LYS 24 2HD LYS 24 -5.582 14.583 -12.058
160 HE2 LYS 24 1HE LYS 24 -7.102 16.055 -13.043
161 HE3 LYS 24 2HE LYS 24 -6.877 16.703 -11.419
162 HZ1 LYS 24 3HZ LYS 24 -6.093 17.819 -13.985
163 HZ2 LYS 24 1HZ LYS 24 -4.985 18.023 -12.723
164 HZ3 LYS 24 2HZ LYS 24 -6.567 18.602 -12.562
165 H PHE 25 H PHE 25 -4.129 12.710 -7.957
166 HA PHE 25 HA PHE 25 -1.443 12.013 -8.467
167 HB2 PHE 25 1HB PHE 25 -3.957 10.378 -8.155
168 HB3 PHE 25 2HB PHE 25 -2.389 9.634 -8.450
169 HD1 PHE 25 HD1 PHE 25 -0.489 10.277 -6.813
170 HD2 PHE 25 HD2 PHE 25 -4.630 10.817 -5.991
171 HE1 PHE 25 HE1 PHE 25 0.002 10.351 -4.403
172 HE2 PHE 25 HE2 PHE 25 -4.146 10.894 -3.581
173 HZ PHE 25 HZ PHE 25 -1.827 10.662 -2.784
174 H LEU 26 H LEU 26 -0.734 10.395 -10.088
175 HA LEU 26 HA LEU 26 -1.914 11.025 -12.704
176 HB2 LEU 26 1HB LEU 26 0.840 10.380 -11.776
177 HB3 LEU 26 2HB LEU 26 0.385 9.962 -13.426
178 HG LEU 26 HG LEU 26 1.590 12.157 -13.120
179 HD11 LEU 26 1HD1 LEU 26 0.475 11.775 -15.169
180 HD12 LEU 26 2HD1 LEU 26 -0.011 13.383 -14.635
181 HD13 LEU 26 3HD1 LEU 26 -1.111 12.019 -14.435
182 HD21 LEU 26 3HD2 LEU 26 -0.112 14.024 -12.510
183 HD22 LEU 26 1HD2 LEU 26 0.719 13.149 -11.224
184 HD23 LEU 26 2HD2 LEU 26 -0.943 12.733 -11.641
185 H CYS 27 H CYS 27 -1.838 8.611 -10.428
186 HA CYS 27 HA CYS 27 -1.875 6.406 -12.337
187 HB2 CYS 27 1HB CYS 27 -2.263 5.069 -10.155
188 HB3 CYS 27 2HB CYS 27 -0.681 5.796 -10.421
189 H CYS 28 H CYS 28 -3.994 7.772 -9.819
190 HA CYS 28 HA CYS 28 -6.269 6.377 -11.040
191 HB2 CYS 28 1HB CYS 28 -7.421 7.285 -8.884
192 HB3 CYS 28 2HB CYS 28 -6.318 5.918 -8.762
193 H GLN 29 H GLN 29 -4.813 9.442 -10.814
194 HA GLN 29 HA GLN 29 -5.420 11.533 -11.474
195 HB2 GLN 29 1HB GLN 29 -7.001 9.722 -13.237
196 HB3 GLN 29 2HB GLN 29 -7.369 11.441 -13.271
197 HG2 GLN 29 1HG GLN 29 -4.529 10.616 -13.517
198 HG3 GLN 29 2HG GLN 29 -5.599 10.358 -14.895
199 HE21 GLN 29 1HE2 GLN 29 -3.728 12.586 -13.170
200 HE22 GLN 29 2HE2 GLN 29 -4.173 14.008 -14.044
201 H GLN 30 H GLN 30 -6.425 11.016 -9.058
202 HA GLN 30 HA GLN 30 -9.277 11.655 -9.086
203 HB2 GLN 30 1HB GLN 30 -7.410 10.945 -6.819
204 HB3 GLN 30 2HB GLN 30 -9.119 11.308 -6.622
205 HG2 GLN 30 1HG GLN 30 -9.766 9.377 -7.817
206 HG3 GLN 30 2HG GLN 30 -8.122 9.098 -8.392
207 HE21 GLN 30 1HE2 GLN 30 -9.914 7.329 -6.921
208 HE22 GLN 30 2HE2 GLN 30 -9.074 6.891 -5.476
209 H SER 31 H SER 31 -10.014 13.303 -7.439
210 HA SER 31 HA SER 31 -8.333 15.692 -7.715
211 HB2 SER 31 1HB SER 31 -11.296 15.321 -7.279
212 HB3 SER 31 2HB SER 31 -10.506 16.885 -7.087
213 HG SER 31 HG SER 31 -9.993 15.473 -9.432
214 H CYS 32 H CYS 32 -7.566 13.881 -5.752
215 HA CYS 32 HA CYS 32 -7.867 15.540 -3.381
216 HB2 CYS 32 1HB CYS 32 -8.886 12.746 -3.621
217 HB3 CYS 32 2HB CYS 32 -8.135 13.227 -2.103
218 H LYS 33 H LYS 33 -6.063 15.592 -2.142
219 HA LYS 33 HA LYS 33 -3.697 14.319 -3.191
220 HB2 LYS 33 1HB LYS 33 -3.875 16.699 -2.238
221 HB3 LYS 33 2HB LYS 33 -3.853 15.934 -0.654
222 HG2 LYS 33 1HG LYS 33 -1.691 14.821 -1.392
223 HG3 LYS 33 2HG LYS 33 -1.697 15.961 -2.740
224 HD2 LYS 33 1HD LYS 33 -2.063 17.720 -0.815
225 HD3 LYS 33 2HD LYS 33 -1.327 16.458 0.177
226 HE2 LYS 33 1HE LYS 33 0.439 17.860 -0.544
227 HE3 LYS 33 2HE LYS 33 0.545 16.391 -1.512
228 HZ1 LYS 33 3HZ LYS 33 0.113 17.506 -3.386
229 HZ2 LYS 33 1HZ LYS 33 0.552 18.886 -2.511
230 HZ3 LYS 33 2HZ LYS 33 -1.080 18.473 -2.677
231 H ALA 34 H ALA 34 -5.595 14.161 -0.201
232 HA ALA 34 HA ALA 34 -3.946 11.969 0.785
233 HB1 ALA 34 3HB ALA 34 -4.509 12.729 2.791
234 HB2 ALA 34 1HB ALA 34 -5.433 14.014 2.012
235 HB3 ALA 34 2HB ALA 34 -6.221 12.495 2.441
236 H ALA 35 H ALA 35 -5.346 11.372 -1.564
237 HA ALA 35 HA ALA 35 -7.781 9.983 -0.961
238 HB1 ALA 35 3HB ALA 35 -6.631 9.063 -3.401
239 HB2 ALA 35 1HB ALA 35 -8.032 10.108 -3.160
240 HB3 ALA 35 2HB ALA 35 -6.419 10.810 -3.293
241 HA PRO 36 HA PRO 36 -6.170 6.123 0.392
242 HB2 PRO 36 1HB PRO 36 -8.176 4.474 -0.401
243 HB3 PRO 36 2HB PRO 36 -8.329 5.583 0.967
244 HG2 PRO 36 1HG PRO 36 -9.297 5.902 -1.847
245 HG3 PRO 36 2HG PRO 36 -10.126 6.287 -0.328
246 HD2 PRO 36 1HD PRO 36 -8.920 8.176 -1.849
247 HD3 PRO 36 2HD PRO 36 -9.010 8.288 -0.080
248 H GLY 37 H GLY 37 -5.346 4.090 -0.348
249 HA2 GLY 37 1HA GLY 37 -3.967 4.122 -2.730
250 HA3 GLY 37 2HA GLY 37 -4.379 2.652 -1.860
251 H CYS 38 H CYS 38 -4.724 4.297 -4.731
252 HA CYS 38 HA CYS 38 -7.343 3.393 -5.466
253 HB2 CYS 38 1HB CYS 38 -6.861 4.291 -7.640
254 HB3 CYS 38 2HB CYS 38 -6.219 5.411 -6.442
255 H THR 39 H THR 39 -4.080 2.179 -5.781
256 HA THR 39 HA THR 39 -4.977 -0.033 -7.470
257 HB THR 39 HB THR 39 -2.159 0.326 -6.490
258 HG1 THR 39 HG1 THR 39 -2.098 2.144 -7.565
259 HG21 THR 39 3HG2 THR 39 -3.325 -0.814 -9.033
260 HG22 THR 39 1HG2 THR 39 -2.741 -1.751 -7.659
261 HG23 THR 39 2HG2 THR 39 -1.615 -0.775 -8.604
262 H LEU 40 H LEU 40 -4.925 -2.166 -6.847
263 HA LEU 40 HA LEU 40 -4.774 -2.622 -3.957
264 HB2 LEU 40 1HB LEU 40 -6.211 -3.910 -6.214
265 HB3 LEU 40 2HB LEU 40 -5.767 -4.920 -4.840
266 HG LEU 40 HG LEU 40 -7.441 -2.416 -4.658
267 HD11 LEU 40 1HD1 LEU 40 -9.231 -3.607 -5.194
268 HD12 LEU 40 2HD1 LEU 40 -8.814 -4.849 -4.015
269 HD13 LEU 40 3HD1 LEU 40 -8.166 -4.935 -5.652
270 HD21 LEU 40 3HD2 LEU 40 -7.488 -2.697 -2.429
271 HD22 LEU 40 1HD2 LEU 40 -5.987 -3.587 -2.691
272 HD23 LEU 40 2HD2 LEU 40 -7.514 -4.458 -2.546
273 H TRP 41 H TRP 41 -3.749 -4.557 -3.148
274 HA TRP 41 HA TRP 41 -1.136 -4.898 -3.874
275 HB2 TRP 41 1HB TRP 41 -2.802 -7.161 -2.772
276 HB3 TRP 41 2HB TRP 41 -1.090 -6.848 -2.506
277 HD1 TRP 41 HD1 TRP 41 -4.053 -6.750 -0.588
278 HE1 TRP 41 HE1 TRP 41 -3.995 -4.971 1.272
279 HE3 TRP 41 HE3 TRP 41 -0.156 -3.916 -2.298
280 HZ2 TRP 41 HZ2 TRP 41 -2.496 -2.670 1.926
281 HZ3 TRP 41 HZ3 TRP 41 0.526 -1.942 -0.996
282 HH2 TRP 41 HH2 TRP 41 -0.621 -1.334 1.072
283 H GLU 42 H GLU 42 -3.887 -6.893 -4.927
284 HA GLU 42 HA GLU 42 -2.232 -8.440 -6.711
285 HB2 GLU 42 1HB GLU 42 -4.339 -9.527 -7.366
286 HB3 GLU 42 2HB GLU 42 -4.134 -9.498 -5.620
287 HG2 GLU 42 1HG GLU 42 -6.303 -8.863 -5.739
288 HG3 GLU 42 2HG GLU 42 -5.543 -7.276 -5.850
289 H ALA 43 H ALA 43 -1.992 -5.745 -7.299
290 HA ALA 43 HA ALA 43 -3.570 -4.505 -9.103
291 HB1 ALA 43 3HB ALA 43 -0.679 -4.666 -9.798
292 HB2 ALA 43 1HB ALA 43 -1.753 -3.267 -9.744
293 HB3 ALA 43 2HB ALA 43 -1.145 -3.971 -8.246
294 H TYR 44 H TYR 44 -4.455 -4.975 -11.001
295 HA TYR 44 HA TYR 44 -3.707 -7.405 -12.377
296 HB2 TYR 44 1HB TYR 44 -6.098 -6.534 -12.010
297 HB3 TYR 44 2HB TYR 44 -5.757 -5.409 -13.320
298 HD1 TYR 44 HD1 TYR 44 -4.903 -9.018 -12.864
299 HD2 TYR 44 HD2 TYR 44 -6.947 -6.094 -15.182
300 HE1 TYR 44 HE1 TYR 44 -5.513 -10.750 -14.500
301 HE2 TYR 44 HE2 TYR 44 -7.564 -7.817 -16.824
302 HH TYR 44 HH TYR 44 -6.411 -11.152 -16.507
303 H SER 45 H SER 45 -4.207 -4.047 -13.479
304 HA SER 45 HA SER 45 -3.099 -4.213 -15.970
305 HB2 SER 45 1HB SER 45 -3.156 -1.977 -13.963
306 HB3 SER 45 2HB SER 45 -2.356 -1.760 -15.520
307 HG SER 45 HG SER 45 -4.495 -1.112 -15.699
308 H GLY 46 H GLY 46 -1.290 -5.390 -16.326
309 HA2 GLY 46 1HA GLY 46 1.222 -4.247 -15.416
310 HA3 GLY 46 2HA GLY 46 0.899 -5.884 -14.867
311 HA PRO 47 HA PRO 47 3.164 -6.240 -18.862
312 HB2 PRO 47 1HB PRO 47 4.689 -8.338 -18.060
313 HB3 PRO 47 2HB PRO 47 5.127 -6.655 -17.743
314 HG2 PRO 47 1HG PRO 47 3.825 -8.647 -15.928
315 HG3 PRO 47 2HG PRO 47 5.117 -7.487 -15.571
316 HD2 PRO 47 1HD PRO 47 2.534 -7.043 -14.893
317 HD3 PRO 47 2HD PRO 47 3.645 -5.729 -15.330
318 H SER 48 H SER 48 0.834 -7.917 -17.239
319 HA SER 48 HA SER 48 0.662 -10.474 -17.975
320 HB2 SER 48 1HB SER 48 -1.747 -10.247 -18.189
321 HB3 SER 48 2HB SER 48 -1.179 -9.176 -16.908
322 HG SER 48 HG SER 48 -1.840 -7.523 -18.023
323 H SER 49 H SER 49 0.702 -11.691 -19.756
324 HA SER 49 HA SER 49 0.600 -10.316 -22.358
325 HB2 SER 49 1HB SER 49 2.017 -12.107 -23.227
326 HB3 SER 49 2HB SER 49 2.777 -11.364 -21.820
327 HG SER 49 HG SER 49 2.106 -13.114 -20.579
328 H GLY 50 H GLY 50 -0.301 -13.319 -20.688
329 HA2 GLY 50 1HA GLY 50 -2.529 -14.204 -20.921
330 HA3 GLY 50 2HA GLY 50 -2.569 -13.553 -22.552
Start of MODEL 19
1 H1 GLY 1 H GLY 1 26.624 4.628 0.178
2 HA2 GLY 1 1HA GLY 1 23.837 4.603 -0.807
3 HA3 GLY 1 2HA GLY 1 24.995 3.352 -1.233
4 H SER 2 H SER 2 25.563 1.787 0.287
5 HA SER 2 HA SER 2 24.900 0.220 1.834
6 HB2 SER 2 1HB SER 2 26.439 1.643 3.105
7 HB3 SER 2 2HB SER 2 25.105 2.704 3.555
8 HG SER 2 HG SER 2 24.219 1.049 4.757
9 H SER 3 H SER 3 22.679 1.146 0.437
10 HA SER 3 HA SER 3 20.564 2.097 1.995
11 HB2 SER 3 1HB SER 3 20.724 1.758 -0.574
12 HB3 SER 3 2HB SER 3 20.139 0.129 -0.241
13 HG SER 3 HG SER 3 18.449 1.389 1.033
14 H GLY 4 H GLY 4 21.338 -1.273 1.110
15 HA2 GLY 4 1HA GLY 4 21.189 -3.133 2.542
16 HA3 GLY 4 2HA GLY 4 20.278 -2.154 3.682
17 H SER 5 H SER 5 19.602 -4.791 2.871
18 HA SER 5 HA SER 5 17.661 -4.901 0.854
19 HB2 SER 5 1HB SER 5 16.996 -7.008 1.807
20 HB3 SER 5 2HB SER 5 18.745 -6.873 1.982
21 HG SER 5 HG SER 5 18.254 -7.360 3.986
22 H SER 6 H SER 6 17.353 -4.277 4.330
23 HA SER 6 HA SER 6 14.503 -3.984 4.216
24 HB2 SER 6 1HB SER 6 14.773 -3.144 6.565
25 HB3 SER 6 2HB SER 6 15.491 -4.729 6.286
26 HG SER 6 HG SER 6 17.102 -2.476 5.927
27 H GLY 7 H GLY 7 13.736 -2.355 3.001
28 HA2 GLY 7 1HA GLY 7 15.050 0.258 3.091
29 HA3 GLY 7 2HA GLY 7 13.796 -0.234 1.963
30 H ASN 8 H ASN 8 11.957 0.819 2.241
31 HA ASN 8 HA ASN 8 11.320 1.875 4.902
32 HB2 ASN 8 1HB ASN 8 10.631 2.702 2.114
33 HB3 ASN 8 2HB ASN 8 9.512 3.110 3.412
34 HD21 ASN 8 1HD2 ASN 8 12.411 3.892 1.840
35 HD22 ASN 8 2HD2 ASN 8 12.908 5.179 2.880
36 HA PRO 9 HA PRO 9 8.069 -1.039 5.462
37 HB2 PRO 9 1HB PRO 9 6.530 0.357 7.209
38 HB3 PRO 9 2HB PRO 9 8.067 -0.387 7.666
39 HG2 PRO 9 1HG PRO 9 7.479 2.461 6.958
40 HG3 PRO 9 2HG PRO 9 8.492 1.819 8.264
41 HD2 PRO 9 1HD PRO 9 9.527 2.761 5.945
42 HD3 PRO 9 2HD PRO 9 10.279 1.437 6.860
43 H HIS 10 H HIS 10 5.438 -0.587 5.932
44 HA HIS 10 HA HIS 10 3.505 -0.452 4.709
45 HB2 HIS 10 1HB HIS 10 4.579 2.358 4.385
46 HB3 HIS 10 2HB HIS 10 2.913 1.875 4.077
47 HD2 HIS 10 HD2 HIS 10 4.444 0.353 7.266
48 HE1 HIS 10 HE1 HIS 10 1.987 3.602 8.448
49 HE2 HIS 10 HE2 HIS 10 3.392 1.665 9.231
50 H LEU 11 H LEU 11 5.435 -1.671 3.193
51 HA LEU 11 HA LEU 11 5.404 -0.405 0.565
52 HB2 LEU 11 1HB LEU 11 7.510 -1.314 1.269
53 HB3 LEU 11 2HB LEU 11 6.770 -2.876 1.612
54 HG LEU 11 HG LEU 11 6.215 -2.798 -0.966
55 HD11 LEU 11 1HD1 LEU 11 8.520 -0.897 -0.651
56 HD12 LEU 11 2HD1 LEU 11 7.006 -0.647 -1.518
57 HD13 LEU 11 3HD1 LEU 11 8.204 -1.778 -2.146
58 HD21 LEU 11 3HD2 LEU 11 7.961 -4.165 0.590
59 HD22 LEU 11 1HD2 LEU 11 9.063 -3.380 -0.542
60 HD23 LEU 11 2HD2 LEU 11 7.768 -4.414 -1.146
61 H LEU 12 H LEU 12 4.429 -3.468 2.085
62 HA LEU 12 HA LEU 12 2.965 -4.260 -0.291
63 HB2 LEU 12 1HB LEU 12 3.446 -5.545 2.381
64 HB3 LEU 12 2HB LEU 12 2.330 -6.226 1.200
65 HG LEU 12 HG LEU 12 4.488 -6.049 -0.351
66 HD11 LEU 12 1HD1 LEU 12 5.509 -6.075 2.461
67 HD12 LEU 12 2HD1 LEU 12 6.074 -5.142 1.076
68 HD13 LEU 12 3HD1 LEU 12 6.406 -6.872 1.167
69 HD21 LEU 12 3HD2 LEU 12 4.100 -8.232 -0.374
70 HD22 LEU 12 1HD2 LEU 12 3.139 -8.074 1.098
71 HD23 LEU 12 2HD2 LEU 12 4.870 -8.401 1.205
72 H VAL 13 H VAL 13 1.956 -1.903 0.647
73 HA VAL 13 HA VAL 13 -0.690 -2.737 1.620
74 HB VAL 13 HB VAL 13 0.789 -0.267 2.537
75 HG11 VAL 13 1HG1 VAL 13 -2.010 -0.912 2.460
76 HG12 VAL 13 2HG1 VAL 13 -1.467 -0.739 4.131
77 HG13 VAL 13 3HG1 VAL 13 -1.220 0.576 2.979
78 HG21 VAL 13 3HG2 VAL 13 1.727 -2.072 3.708
79 HG22 VAL 13 1HG2 VAL 13 0.501 -1.422 4.797
80 HG23 VAL 13 2HG2 VAL 13 0.171 -2.887 3.871
81 H LYS 14 H LYS 14 -2.340 -1.980 0.447
82 HA LYS 14 HA LYS 14 -2.261 -0.962 -2.014
83 HB2 LYS 14 1HB LYS 14 -4.251 -0.203 0.129
84 HB3 LYS 14 2HB LYS 14 -4.481 0.121 -1.584
85 HG2 LYS 14 1HG LYS 14 -4.304 -2.329 -2.001
86 HG3 LYS 14 2HG LYS 14 -4.279 -2.569 -0.252
87 HD2 LYS 14 1HD LYS 14 -6.472 -0.926 -1.408
88 HD3 LYS 14 2HD LYS 14 -6.530 -2.674 -1.650
89 HE2 LYS 14 1HE LYS 14 -7.745 -2.233 0.331
90 HE3 LYS 14 2HE LYS 14 -6.199 -2.909 0.839
91 HZ1 LYS 14 3HZ LYS 14 -6.286 -0.019 0.626
92 HZ2 LYS 14 1HZ LYS 14 -5.586 -0.998 1.815
93 HZ3 LYS 14 2HZ LYS 14 -7.247 -0.679 1.851
94 H TYR 15 H TYR 15 -1.337 0.732 -2.941
95 HA TYR 15 HA TYR 15 -1.482 3.346 -1.652
96 HB2 TYR 15 1HB TYR 15 0.787 3.747 -1.549
97 HB3 TYR 15 2HB TYR 15 0.748 2.029 -1.168
98 HD1 TYR 15 HD2 TYR 15 0.532 0.677 -3.669
99 HD2 TYR 15 HD1 TYR 15 2.679 4.240 -2.771
100 HE1 TYR 15 HE2 TYR 15 2.057 0.223 -5.544
101 HE2 TYR 15 HE1 TYR 15 4.210 3.796 -4.645
102 HH TYR 15 HH TYR 15 4.308 0.799 -6.267
103 H HIS 16 H HIS 16 -0.264 4.971 -3.258
104 HA HIS 16 HA HIS 16 -1.618 4.607 -5.814
105 HB2 HIS 16 1HB HIS 16 -0.293 6.999 -4.533
106 HB3 HIS 16 2HB HIS 16 -0.965 7.022 -6.160
107 HD2 HIS 16 HD2 HIS 16 -2.087 7.558 -2.567
108 HE1 HIS 16 HE1 HIS 16 -5.613 7.149 -4.891
109 HE2 HIS 16 HE2 HIS 16 -4.651 7.882 -2.682
110 H SER 17 H SER 17 -0.531 3.651 -7.396
111 HA SER 17 HA SER 17 2.349 3.586 -7.427
112 HB2 SER 17 1HB SER 17 1.010 1.623 -8.112
113 HB3 SER 17 2HB SER 17 0.369 2.548 -9.470
114 HG SER 17 HG SER 17 2.441 1.091 -9.587
115 H GLY 18 H GLY 18 1.514 6.207 -7.586
116 HA2 GLY 18 1HA GLY 18 2.669 6.968 -10.142
117 HA3 GLY 18 2HA GLY 18 1.019 7.509 -9.868
118 H PHE 19 H PHE 19 1.573 9.688 -9.878
119 HA PHE 19 HA PHE 19 2.771 10.618 -7.382
120 HB2 PHE 19 1HB PHE 19 3.782 11.243 -10.137
121 HB3 PHE 19 2HB PHE 19 3.960 12.424 -8.844
122 HD1 PHE 19 HD1 PHE 19 4.657 8.855 -9.638
123 HD2 PHE 19 HD2 PHE 19 5.801 12.325 -7.455
124 HE1 PHE 19 HE1 PHE 19 6.687 7.698 -8.869
125 HE2 PHE 19 HE2 PHE 19 7.834 11.174 -6.683
126 HZ PHE 19 HZ PHE 19 8.279 8.858 -7.392
127 H PHE 20 H PHE 20 2.586 13.147 -7.347
128 HA PHE 20 HA PHE 20 -0.143 13.797 -8.234
129 HB2 PHE 20 1HB PHE 20 0.312 13.732 -5.757
130 HB3 PHE 20 2HB PHE 20 1.398 15.100 -5.985
131 HD1 PHE 20 HD1 PHE 20 -2.115 13.998 -6.265
132 HD2 PHE 20 HD2 PHE 20 0.572 17.297 -6.170
133 HE1 PHE 20 HE1 PHE 20 -4.020 15.538 -6.049
134 HE2 PHE 20 HE2 PHE 20 -1.329 18.843 -5.952
135 HZ PHE 20 HZ PHE 20 -3.629 17.965 -5.890
136 H VAL 21 H VAL 21 0.065 14.839 -10.134
137 HA VAL 21 HA VAL 21 1.777 17.234 -10.169
138 HB VAL 21 HB VAL 21 1.320 15.336 -12.476
139 HG11 VAL 21 1HG1 VAL 21 1.452 17.810 -13.016
140 HG12 VAL 21 2HG1 VAL 21 3.119 17.747 -12.440
141 HG13 VAL 21 3HG1 VAL 21 2.624 16.769 -13.822
142 HG21 VAL 21 3HG2 VAL 21 2.926 14.616 -10.666
143 HG22 VAL 21 1HG2 VAL 21 3.606 14.735 -12.288
144 HG23 VAL 21 2HG2 VAL 21 3.917 16.006 -11.107
145 H ASP 22 H ASP 22 0.948 19.046 -11.160
146 HA ASP 22 HA ASP 22 -0.629 20.499 -11.920
147 HB2 ASP 22 1HB ASP 22 -0.611 18.622 -13.776
148 HB3 ASP 22 2HB ASP 22 -2.219 18.281 -13.142
149 H GLY 23 H GLY 23 -0.938 19.499 -9.321
150 HA2 GLY 23 1HA GLY 23 -2.468 19.458 -7.610
151 HA3 GLY 23 2HA GLY 23 -3.538 20.327 -8.700
152 H LYS 24 H LYS 24 -2.241 17.097 -9.237
153 HA LYS 24 HA LYS 24 -4.545 15.706 -8.323
154 HB2 LYS 24 1HB LYS 24 -4.401 16.529 -11.182
155 HB3 LYS 24 2HB LYS 24 -4.989 14.910 -10.826
156 HG2 LYS 24 1HG LYS 24 -6.533 16.168 -9.131
157 HG3 LYS 24 2HG LYS 24 -6.195 17.552 -10.172
158 HD2 LYS 24 1HD LYS 24 -7.051 14.959 -11.386
159 HD3 LYS 24 2HD LYS 24 -8.255 16.020 -10.652
160 HE2 LYS 24 1HE LYS 24 -6.278 17.062 -12.651
161 HE3 LYS 24 2HE LYS 24 -7.761 16.263 -13.171
162 HZ1 LYS 24 3HZ LYS 24 -7.741 18.808 -12.875
163 HZ2 LYS 24 1HZ LYS 24 -7.880 18.470 -11.224
164 HZ3 LYS 24 2HZ LYS 24 -9.068 17.932 -12.300
165 H PHE 25 H PHE 25 -4.503 13.373 -9.098
166 HA PHE 25 HA PHE 25 -1.757 12.450 -8.954
167 HB2 PHE 25 1HB PHE 25 -4.445 11.198 -8.591
168 HB3 PHE 25 2HB PHE 25 -3.077 10.158 -8.971
169 HD1 PHE 25 HD1 PHE 25 -0.901 10.762 -7.498
170 HD2 PHE 25 HD2 PHE 25 -4.949 11.452 -6.377
171 HE1 PHE 25 HE1 PHE 25 -0.241 10.763 -5.128
172 HE2 PHE 25 HE2 PHE 25 -4.295 11.456 -4.005
173 HZ PHE 25 HZ PHE 25 -1.938 11.111 -3.378
174 H LEU 26 H LEU 26 -1.313 10.363 -10.294
175 HA LEU 26 HA LEU 26 -2.184 10.836 -13.069
176 HB2 LEU 26 1HB LEU 26 0.525 9.831 -12.225
177 HB3 LEU 26 2HB LEU 26 0.004 10.263 -13.852
178 HG LEU 26 HG LEU 26 0.453 12.155 -11.546
179 HD11 LEU 26 1HD1 LEU 26 2.530 12.355 -12.288
180 HD12 LEU 26 2HD1 LEU 26 1.954 12.708 -13.915
181 HD13 LEU 26 3HD1 LEU 26 2.228 11.038 -13.420
182 HD21 LEU 26 3HD2 LEU 26 0.099 13.886 -13.364
183 HD22 LEU 26 1HD2 LEU 26 -1.343 13.056 -12.780
184 HD23 LEU 26 2HD2 LEU 26 -0.622 12.591 -14.321
185 H CYS 27 H CYS 27 -1.839 8.635 -10.497
186 HA CYS 27 HA CYS 27 -1.857 6.254 -12.139
187 HB2 CYS 27 1HB CYS 27 -2.183 5.112 -9.892
188 HB3 CYS 27 2HB CYS 27 -0.693 6.029 -10.084
189 H CYS 28 H CYS 28 -4.130 7.994 -10.047
190 HA CYS 28 HA CYS 28 -6.324 6.566 -11.389
191 HB2 CYS 28 1HB CYS 28 -7.577 6.668 -9.217
192 HB3 CYS 28 2HB CYS 28 -6.180 5.598 -9.198
193 H GLN 29 H GLN 29 -5.018 9.250 -11.718
194 HA GLN 29 HA GLN 29 -5.563 11.490 -11.804
195 HB2 GLN 29 1HB GLN 29 -7.793 9.940 -13.066
196 HB3 GLN 29 2HB GLN 29 -7.908 11.692 -12.967
197 HG2 GLN 29 1HG GLN 29 -7.014 10.985 -15.110
198 HG3 GLN 29 2HG GLN 29 -5.826 11.917 -14.198
199 HE21 GLN 29 1HE2 GLN 29 -3.951 11.133 -14.920
200 HE22 GLN 29 2HE2 GLN 29 -3.478 9.473 -14.859
201 H GLN 30 H GLN 30 -6.090 10.423 -9.218
202 HA GLN 30 HA GLN 30 -8.670 11.456 -8.395
203 HB2 GLN 30 1HB GLN 30 -6.464 9.936 -7.088
204 HB3 GLN 30 2HB GLN 30 -7.547 10.868 -6.063
205 HG2 GLN 30 1HG GLN 30 -9.454 9.651 -6.900
206 HG3 GLN 30 2HG GLN 30 -8.430 8.778 -8.039
207 HE21 GLN 30 1HE2 GLN 30 -9.247 6.846 -7.071
208 HE22 GLN 30 2HE2 GLN 30 -8.581 6.269 -5.585
209 H SER 31 H SER 31 -9.050 13.335 -7.344
210 HA SER 31 HA SER 31 -6.768 15.166 -7.061
211 HB2 SER 31 1HB SER 31 -8.284 16.979 -7.362
212 HB3 SER 31 2HB SER 31 -8.711 15.778 -8.582
213 HG SER 31 HG SER 31 -9.996 16.074 -6.066
214 H CYS 32 H CYS 32 -6.991 13.346 -5.047
215 HA CYS 32 HA CYS 32 -7.742 15.061 -2.798
216 HB2 CYS 32 1HB CYS 32 -8.810 12.329 -3.380
217 HB3 CYS 32 2HB CYS 32 -8.542 12.796 -1.704
218 H LYS 33 H LYS 33 -5.890 15.363 -1.757
219 HA LYS 33 HA LYS 33 -3.607 13.782 -1.938
220 HB2 LYS 33 1HB LYS 33 -4.006 16.198 -0.972
221 HB3 LYS 33 2HB LYS 33 -4.154 15.340 0.556
222 HG2 LYS 33 1HG LYS 33 -1.925 14.375 0.217
223 HG3 LYS 33 2HG LYS 33 -1.778 15.276 -1.294
224 HD2 LYS 33 1HD LYS 33 -2.306 17.338 0.218
225 HD3 LYS 33 2HD LYS 33 -1.773 16.275 1.523
226 HE2 LYS 33 1HE LYS 33 -0.118 16.666 -0.948
227 HE3 LYS 33 2HE LYS 33 -0.034 17.804 0.396
228 HZ1 LYS 33 3HZ LYS 33 0.231 14.964 1.023
229 HZ2 LYS 33 1HZ LYS 33 0.990 16.302 1.726
230 HZ3 LYS 33 2HZ LYS 33 1.535 15.707 0.240
231 H ALA 34 H ALA 34 -6.322 13.612 0.280
232 HA ALA 34 HA ALA 34 -5.055 11.359 1.675
233 HB1 ALA 34 3HB ALA 34 -6.434 13.527 2.666
234 HB2 ALA 34 1HB ALA 34 -7.627 12.228 2.720
235 HB3 ALA 34 2HB ALA 34 -6.076 12.037 3.540
236 H ALA 35 H ALA 35 -5.792 10.681 -0.826
237 HA ALA 35 HA ALA 35 -8.442 9.451 -0.677
238 HB1 ALA 35 3HB ALA 35 -6.574 9.391 -3.030
239 HB2 ALA 35 1HB ALA 35 -8.318 9.133 -3.011
240 HB3 ALA 35 2HB ALA 35 -7.660 10.742 -2.709
241 HA PRO 36 HA PRO 36 -6.936 5.429 0.252
242 HB2 PRO 36 1HB PRO 36 -8.803 3.903 -0.997
243 HB3 PRO 36 2HB PRO 36 -9.134 4.805 0.488
244 HG2 PRO 36 1HG PRO 36 -9.778 5.520 -2.347
245 HG3 PRO 36 2HG PRO 36 -10.786 5.680 -0.897
246 HD2 PRO 36 1HD PRO 36 -9.451 7.772 -1.982
247 HD3 PRO 36 2HD PRO 36 -9.745 7.629 -0.236
248 H GLY 37 H GLY 37 -5.374 4.177 -0.571
249 HA2 GLY 37 1HA GLY 37 -4.163 4.464 -2.981
250 HA3 GLY 37 2HA GLY 37 -4.156 2.944 -2.100
251 H CYS 38 H CYS 38 -4.916 4.372 -4.983
252 HA CYS 38 HA CYS 38 -7.296 3.103 -5.754
253 HB2 CYS 38 1HB CYS 38 -6.413 3.445 -8.101
254 HB3 CYS 38 2HB CYS 38 -6.486 4.894 -7.101
255 H THR 39 H THR 39 -3.933 2.047 -5.892
256 HA THR 39 HA THR 39 -4.461 -0.349 -7.342
257 HB THR 39 HB THR 39 -2.087 0.120 -5.540
258 HG1 THR 39 HG1 THR 39 -1.286 1.466 -6.995
259 HG21 THR 39 3HG2 THR 39 -1.656 -1.954 -6.301
260 HG22 THR 39 1HG2 THR 39 -1.214 -1.136 -7.799
261 HG23 THR 39 2HG2 THR 39 -2.828 -1.823 -7.611
262 H LEU 40 H LEU 40 -6.114 -1.463 -6.304
263 HA LEU 40 HA LEU 40 -5.415 -2.586 -3.670
264 HB2 LEU 40 1HB LEU 40 -7.322 -1.479 -3.135
265 HB3 LEU 40 2HB LEU 40 -7.954 -1.552 -4.778
266 HG LEU 40 HG LEU 40 -7.911 -3.929 -2.930
267 HD11 LEU 40 1HD1 LEU 40 -10.008 -1.808 -3.303
268 HD12 LEU 40 2HD1 LEU 40 -9.271 -2.366 -1.803
269 HD13 LEU 40 3HD1 LEU 40 -10.376 -3.419 -2.686
270 HD21 LEU 40 3HD2 LEU 40 -10.002 -3.881 -4.878
271 HD22 LEU 40 1HD2 LEU 40 -8.692 -5.046 -4.679
272 HD23 LEU 40 2HD2 LEU 40 -8.452 -3.611 -5.676
273 H TRP 41 H TRP 41 -5.985 -3.236 -6.937
274 HA TRP 41 HA TRP 41 -6.748 -6.015 -6.478
275 HB2 TRP 41 1HB TRP 41 -6.652 -6.011 -9.080
276 HB3 TRP 41 2HB TRP 41 -7.971 -5.171 -8.269
277 HD1 TRP 41 HD1 TRP 41 -4.463 -3.645 -8.626
278 HE1 TRP 41 HE1 TRP 41 -4.638 -1.541 -10.098
279 HE3 TRP 41 HE3 TRP 41 -9.358 -4.051 -10.043
280 HZ2 TRP 41 HZ2 TRP 41 -6.593 -0.227 -11.654
281 HZ3 TRP 41 HZ3 TRP 41 -10.304 -2.329 -11.523
282 HH2 TRP 41 HH2 TRP 41 -8.948 -0.457 -12.310
283 H GLU 42 H GLU 42 -4.286 -5.516 -5.432
284 HA GLU 42 HA GLU 42 -2.244 -6.223 -7.358
285 HB2 GLU 42 1HB GLU 42 -0.707 -6.112 -5.443
286 HB3 GLU 42 2HB GLU 42 -1.687 -4.659 -5.578
287 HG2 GLU 42 1HG GLU 42 -1.847 -5.018 -3.345
288 HG3 GLU 42 2HG GLU 42 -3.236 -5.956 -3.890
289 H ALA 43 H ALA 43 -4.361 -8.124 -7.034
290 HA ALA 43 HA ALA 43 -2.861 -10.390 -5.887
291 HB1 ALA 43 3HB ALA 43 -5.338 -9.497 -5.086
292 HB2 ALA 43 1HB ALA 43 -5.723 -10.833 -6.172
293 HB3 ALA 43 2HB ALA 43 -4.667 -11.100 -4.784
294 H TYR 44 H TYR 44 -2.290 -9.685 -8.444
295 HA TYR 44 HA TYR 44 -3.938 -11.206 -10.277
296 HB2 TYR 44 1HB TYR 44 -3.133 -9.339 -11.366
297 HB3 TYR 44 2HB TYR 44 -1.585 -9.387 -10.530
298 HD1 TYR 44 HD1 TYR 44 -3.562 -11.374 -13.001
299 HD2 TYR 44 HD2 TYR 44 0.279 -10.079 -11.709
300 HE1 TYR 44 HE1 TYR 44 -2.544 -12.457 -14.961
301 HE2 TYR 44 HE2 TYR 44 1.307 -11.156 -13.666
302 HH TYR 44 HH TYR 44 -0.204 -13.411 -15.528
303 H SER 45 H SER 45 -3.702 -13.313 -9.429
304 HA SER 45 HA SER 45 -1.193 -14.564 -9.029
305 HB2 SER 45 1HB SER 45 -3.981 -15.649 -9.426
306 HB3 SER 45 2HB SER 45 -2.588 -16.699 -9.162
307 HG SER 45 HG SER 45 -2.244 -15.605 -7.182
308 H GLY 46 H GLY 46 -3.612 -15.245 -11.568
309 HA2 GLY 46 1HA GLY 46 -2.154 -14.926 -13.827
310 HA3 GLY 46 2HA GLY 46 -1.592 -16.479 -13.225
311 HA PRO 47 HA PRO 47 -5.809 -16.654 -15.541
312 HB2 PRO 47 1HB PRO 47 -4.980 -17.048 -18.096
313 HB3 PRO 47 2HB PRO 47 -5.324 -15.446 -17.434
314 HG2 PRO 47 1HG PRO 47 -2.690 -16.821 -17.796
315 HG3 PRO 47 2HG PRO 47 -3.126 -15.134 -18.128
316 HD2 PRO 47 1HD PRO 47 -1.799 -15.880 -15.889
317 HD3 PRO 47 2HD PRO 47 -2.934 -14.516 -15.917
318 H SER 48 H SER 48 -3.028 -18.411 -15.000
319 HA SER 48 HA SER 48 -2.980 -20.699 -16.364
320 HB2 SER 48 1HB SER 48 -3.087 -20.675 -13.339
321 HB3 SER 48 2HB SER 48 -2.303 -21.881 -14.359
322 HG SER 48 HG SER 48 -0.695 -20.531 -13.760
323 H SER 49 H SER 49 -4.386 -22.164 -17.043
324 HA SER 49 HA SER 49 -7.083 -22.159 -16.632
325 HB2 SER 49 1HB SER 49 -5.374 -24.606 -17.142
326 HB3 SER 49 2HB SER 49 -7.108 -24.483 -17.440
327 HG SER 49 HG SER 49 -5.475 -22.553 -18.606
328 H GLY 50 H GLY 50 -8.522 -23.585 -15.455
329 HA2 GLY 50 1HA GLY 50 -7.667 -23.871 -12.701
330 HA3 GLY 50 2HA GLY 50 -9.294 -24.112 -13.322
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -5.613 -19.857 8.121
2 HA2 GLY 1 1HA GLY 1 -4.765 -17.772 8.573
3 HA3 GLY 1 2HA GLY 1 -4.218 -17.731 6.904
4 H SER 2 H SER 2 -7.412 -17.715 8.491
5 HA SER 2 HA SER 2 -8.687 -16.130 6.598
6 HB2 SER 2 1HB SER 2 -9.221 -16.645 9.514
7 HB3 SER 2 2HB SER 2 -10.243 -15.548 8.587
8 HG SER 2 HG SER 2 -11.236 -17.361 8.133
9 H SER 3 H SER 3 -7.502 -15.069 9.794
10 HA SER 3 HA SER 3 -6.937 -12.434 8.614
11 HB2 SER 3 1HB SER 3 -9.097 -12.514 9.988
12 HB3 SER 3 2HB SER 3 -8.063 -12.750 11.396
13 HG SER 3 HG SER 3 -7.001 -10.741 10.183
14 H GLY 4 H GLY 4 -5.126 -11.388 9.374
15 HA2 GLY 4 1HA GLY 4 -3.086 -13.016 10.499
16 HA3 GLY 4 2HA GLY 4 -2.978 -11.288 10.191
17 H SER 5 H SER 5 -2.213 -10.432 12.020
18 HA SER 5 HA SER 5 -3.849 -10.304 14.332
19 HB2 SER 5 1HB SER 5 -2.347 -11.442 15.921
20 HB3 SER 5 2HB SER 5 -2.974 -12.564 14.714
21 HG SER 5 HG SER 5 -0.673 -12.725 15.126
22 H SER 6 H SER 6 -3.342 -8.547 15.528
23 HA SER 6 HA SER 6 -1.705 -6.558 14.565
24 HB2 SER 6 1HB SER 6 -3.455 -6.197 16.267
25 HB3 SER 6 2HB SER 6 -2.453 -7.018 17.464
26 HG SER 6 HG SER 6 -2.145 -4.494 16.301
27 H GLY 7 H GLY 7 0.411 -6.647 14.199
28 HA2 GLY 7 1HA GLY 7 2.378 -6.674 16.095
29 HA3 GLY 7 2HA GLY 7 2.154 -8.371 15.696
30 H ASN 8 H ASN 8 1.876 -8.543 13.095
31 HA ASN 8 HA ASN 8 4.427 -8.205 12.047
32 HB2 ASN 8 1HB ASN 8 3.268 -9.761 10.833
33 HB3 ASN 8 2HB ASN 8 1.756 -8.862 10.921
34 HD21 ASN 8 1HD2 ASN 8 1.231 -7.457 9.324
35 HD22 ASN 8 2HD2 ASN 8 2.170 -7.233 7.892
36 HA PRO 9 HA PRO 9 4.633 -3.941 10.955
37 HB2 PRO 9 1HB PRO 9 6.617 -4.088 9.107
38 HB3 PRO 9 2HB PRO 9 6.909 -4.240 10.843
39 HG2 PRO 9 1HG PRO 9 6.657 -6.384 8.770
40 HG3 PRO 9 2HG PRO 9 7.819 -6.247 10.101
41 HD2 PRO 9 1HD PRO 9 5.639 -7.848 10.230
42 HD3 PRO 9 2HD PRO 9 6.320 -7.045 11.660
43 H HIS 10 H HIS 10 4.545 -2.516 9.020
44 HA HIS 10 HA HIS 10 2.343 -2.865 7.474
45 HB2 HIS 10 1HB HIS 10 4.880 -1.342 6.955
46 HB3 HIS 10 2HB HIS 10 3.580 -1.345 5.767
47 HD2 HIS 10 HD2 HIS 10 0.990 -0.583 7.228
48 HE1 HIS 10 HE1 HIS 10 3.187 2.257 9.488
49 HE2 HIS 10 HE2 HIS 10 0.895 1.453 8.820
50 H LEU 11 H LEU 11 1.749 -4.017 5.738
51 HA LEU 11 HA LEU 11 3.668 -5.045 3.855
52 HB2 LEU 11 1HB LEU 11 4.032 -6.885 5.124
53 HB3 LEU 11 2HB LEU 11 2.493 -6.740 5.968
54 HG LEU 11 HG LEU 11 2.438 -7.588 3.120
55 HD11 LEU 11 1HD1 LEU 11 2.631 -9.912 4.736
56 HD12 LEU 11 2HD1 LEU 11 4.056 -8.915 5.031
57 HD13 LEU 11 3HD1 LEU 11 3.656 -9.417 3.388
58 HD21 LEU 11 3HD2 LEU 11 0.416 -8.468 3.670
59 HD22 LEU 11 1HD2 LEU 11 0.509 -7.223 4.915
60 HD23 LEU 11 2HD2 LEU 11 0.920 -8.894 5.306
61 H LEU 12 H LEU 12 2.757 -5.476 1.897
62 HA LEU 12 HA LEU 12 1.205 -5.216 0.239
63 HB2 LEU 12 1HB LEU 12 0.068 -7.126 2.204
64 HB3 LEU 12 2HB LEU 12 -1.001 -6.540 0.931
65 HG LEU 12 HG LEU 12 1.029 -7.294 -0.604
66 HD11 LEU 12 1HD1 LEU 12 2.585 -8.033 0.966
67 HD12 LEU 12 2HD1 LEU 12 1.830 -9.517 0.387
68 HD13 LEU 12 3HD1 LEU 12 1.358 -8.838 1.944
69 HD21 LEU 12 3HD2 LEU 12 -1.336 -8.700 0.471
70 HD22 LEU 12 1HD2 LEU 12 -0.151 -9.691 -0.381
71 HD23 LEU 12 2HD2 LEU 12 -0.900 -8.316 -1.195
72 H VAL 13 H VAL 13 1.269 -2.977 1.829
73 HA VAL 13 HA VAL 13 -1.450 -2.263 2.551
74 HB VAL 13 HB VAL 13 1.081 -0.611 2.592
75 HG11 VAL 13 1HG1 VAL 13 -1.748 -0.015 3.336
76 HG12 VAL 13 2HG1 VAL 13 -0.431 0.739 4.238
77 HG13 VAL 13 3HG1 VAL 13 -0.570 0.995 2.498
78 HG21 VAL 13 3HG2 VAL 13 0.484 -0.923 5.163
79 HG22 VAL 13 1HG2 VAL 13 -0.234 -2.412 4.549
80 HG23 VAL 13 2HG2 VAL 13 1.479 -2.083 4.284
81 H LYS 14 H LYS 14 -2.813 -1.043 1.380
82 HA LYS 14 HA LYS 14 -2.539 -0.743 -1.361
83 HB2 LYS 14 1HB LYS 14 -4.250 0.895 0.518
84 HB3 LYS 14 2HB LYS 14 -4.462 0.797 -1.225
85 HG2 LYS 14 1HG LYS 14 -5.097 -1.484 -1.108
86 HG3 LYS 14 2HG LYS 14 -4.609 -1.599 0.584
87 HD2 LYS 14 1HD LYS 14 -6.366 0.098 1.121
88 HD3 LYS 14 2HD LYS 14 -6.914 -0.022 -0.553
89 HE2 LYS 14 1HE LYS 14 -8.264 -1.429 0.907
90 HE3 LYS 14 2HE LYS 14 -7.348 -2.409 -0.237
91 HZ1 LYS 14 3HZ LYS 14 -7.348 -2.560 2.556
92 HZ2 LYS 14 1HZ LYS 14 -5.801 -2.077 2.071
93 HZ3 LYS 14 2HZ LYS 14 -6.472 -3.502 1.457
94 H TYR 15 H TYR 15 -1.271 0.520 -2.536
95 HA TYR 15 HA TYR 15 -0.546 3.171 -1.478
96 HB2 TYR 15 1HB TYR 15 1.692 2.942 -2.238
97 HB3 TYR 15 2HB TYR 15 1.323 1.456 -1.370
98 HD1 TYR 15 HD1 TYR 15 1.710 2.932 -4.740
99 HD2 TYR 15 HD2 TYR 15 1.394 -0.649 -2.462
100 HE1 TYR 15 HE1 TYR 15 2.373 1.623 -6.715
101 HE2 TYR 15 HE2 TYR 15 2.058 -1.966 -4.431
102 HH TYR 15 HH TYR 15 1.905 -0.996 -7.429
103 H HIS 16 H HIS 16 0.383 4.582 -3.303
104 HA HIS 16 HA HIS 16 -1.457 4.378 -5.576
105 HB2 HIS 16 1HB HIS 16 -0.002 6.666 -4.285
106 HB3 HIS 16 2HB HIS 16 -0.612 6.814 -5.930
107 HD2 HIS 16 HD2 HIS 16 -1.820 7.348 -2.402
108 HE1 HIS 16 HE1 HIS 16 -5.312 6.946 -4.778
109 HE2 HIS 16 HE2 HIS 16 -4.377 7.700 -2.563
110 H SER 17 H SER 17 -0.715 3.681 -7.458
111 HA SER 17 HA SER 17 2.129 3.404 -7.902
112 HB2 SER 17 1HB SER 17 0.277 1.722 -8.565
113 HB3 SER 17 2HB SER 17 0.001 2.791 -9.940
114 HG SER 17 HG SER 17 1.490 1.153 -10.459
115 H GLY 18 H GLY 18 1.386 6.087 -7.692
116 HA2 GLY 18 1HA GLY 18 2.447 7.096 -10.161
117 HA3 GLY 18 2HA GLY 18 0.753 7.508 -9.942
118 H PHE 19 H PHE 19 1.796 9.709 -10.070
119 HA PHE 19 HA PHE 19 2.660 10.548 -7.380
120 HB2 PHE 19 1HB PHE 19 3.474 11.618 -10.084
121 HB3 PHE 19 2HB PHE 19 3.796 12.469 -8.577
122 HD1 PHE 19 HD2 PHE 19 4.857 10.778 -6.717
123 HD2 PHE 19 HD1 PHE 19 5.242 10.459 -10.944
124 HE1 PHE 19 HE2 PHE 19 6.928 9.482 -6.428
125 HE2 PHE 19 HE1 PHE 19 7.313 9.162 -10.662
126 HZ PHE 19 HZ PHE 19 8.159 8.672 -8.401
127 H PHE 20 H PHE 20 2.178 12.904 -6.947
128 HA PHE 20 HA PHE 20 -0.485 13.571 -8.017
129 HB2 PHE 20 1HB PHE 20 -0.429 12.913 -5.602
130 HB3 PHE 20 2HB PHE 20 0.613 14.298 -5.295
131 HD1 PHE 20 HD1 PHE 20 -2.687 13.465 -6.811
132 HD2 PHE 20 HD2 PHE 20 -0.345 16.287 -4.651
133 HE1 PHE 20 HE1 PHE 20 -4.673 14.888 -6.523
134 HE2 PHE 20 HE2 PHE 20 -2.328 17.715 -4.359
135 HZ PHE 20 HZ PHE 20 -4.495 17.015 -5.295
136 H VAL 21 H VAL 21 0.268 14.887 -9.681
137 HA VAL 21 HA VAL 21 1.573 17.382 -8.804
138 HB VAL 21 HB VAL 21 2.495 17.588 -11.087
139 HG11 VAL 21 1HG1 VAL 21 3.551 16.273 -9.045
140 HG12 VAL 21 2HG1 VAL 21 3.424 14.920 -10.170
141 HG13 VAL 21 3HG1 VAL 21 4.352 16.353 -10.614
142 HG21 VAL 21 3HG2 VAL 21 0.622 15.758 -11.809
143 HG22 VAL 21 1HG2 VAL 21 2.037 16.175 -12.775
144 HG23 VAL 21 2HG2 VAL 21 2.070 14.754 -11.731
145 H ASP 22 H ASP 22 0.808 19.319 -9.628
146 HA ASP 22 HA ASP 22 -0.683 20.805 -10.496
147 HB2 ASP 22 1HB ASP 22 -0.263 19.286 -12.568
148 HB3 ASP 22 2HB ASP 22 -1.870 18.656 -12.222
149 H GLY 23 H GLY 23 -1.311 19.048 -8.212
150 HA2 GLY 23 1HA GLY 23 -3.078 18.798 -6.762
151 HA3 GLY 23 2HA GLY 23 -4.005 19.848 -7.824
152 H LYS 24 H LYS 24 -2.531 16.809 -8.795
153 HA LYS 24 HA LYS 24 -4.966 15.305 -8.551
154 HB2 LYS 24 1HB LYS 24 -4.117 16.446 -11.183
155 HB3 LYS 24 2HB LYS 24 -4.868 14.857 -11.143
156 HG2 LYS 24 1HG LYS 24 -6.705 16.044 -9.747
157 HG3 LYS 24 2HG LYS 24 -6.030 17.517 -10.446
158 HD2 LYS 24 1HD LYS 24 -6.787 15.173 -12.162
159 HD3 LYS 24 2HD LYS 24 -7.981 16.377 -11.672
160 HE2 LYS 24 1HE LYS 24 -7.298 17.297 -13.645
161 HE3 LYS 24 2HE LYS 24 -6.133 18.046 -12.555
162 HZ1 LYS 24 3HZ LYS 24 -5.040 17.164 -14.508
163 HZ2 LYS 24 1HZ LYS 24 -5.662 15.621 -14.205
164 HZ3 LYS 24 2HZ LYS 24 -4.546 16.307 -13.136
165 H PHE 25 H PHE 25 -4.703 13.076 -9.121
166 HA PHE 25 HA PHE 25 -1.940 12.209 -8.866
167 HB2 PHE 25 1HB PHE 25 -4.610 10.970 -8.431
168 HB3 PHE 25 2HB PHE 25 -3.281 9.896 -8.854
169 HD1 PHE 25 HD1 PHE 25 -1.091 10.230 -7.455
170 HD2 PHE 25 HD2 PHE 25 -4.966 11.486 -6.220
171 HE1 PHE 25 HE1 PHE 25 -0.339 10.236 -5.112
172 HE2 PHE 25 HE2 PHE 25 -4.219 11.497 -3.875
173 HZ PHE 25 HZ PHE 25 -1.903 10.872 -3.319
174 H LEU 26 H LEU 26 -1.070 10.494 -10.207
175 HA LEU 26 HA LEU 26 -2.033 10.705 -12.979
176 HB2 LEU 26 1HB LEU 26 0.677 10.213 -11.792
177 HB3 LEU 26 2HB LEU 26 0.323 9.796 -13.469
178 HG LEU 26 HG LEU 26 1.474 11.970 -13.211
179 HD11 LEU 26 1HD1 LEU 26 0.333 12.944 -14.931
180 HD12 LEU 26 2HD1 LEU 26 -1.247 12.626 -14.214
181 HD13 LEU 26 3HD1 LEU 26 -0.353 11.320 -14.995
182 HD21 LEU 26 3HD2 LEU 26 -1.068 12.752 -11.789
183 HD22 LEU 26 1HD2 LEU 26 0.168 13.881 -12.344
184 HD23 LEU 26 2HD2 LEU 26 0.555 12.692 -11.100
185 H CYS 27 H CYS 27 -2.245 8.685 -10.428
186 HA CYS 27 HA CYS 27 -2.014 6.233 -12.028
187 HB2 CYS 27 1HB CYS 27 -2.315 5.130 -9.725
188 HB3 CYS 27 2HB CYS 27 -0.790 5.952 -10.042
189 H CYS 28 H CYS 28 -4.203 7.809 -9.703
190 HA CYS 28 HA CYS 28 -6.432 6.343 -10.955
191 HB2 CYS 28 1HB CYS 28 -7.576 6.858 -8.678
192 HB3 CYS 28 2HB CYS 28 -6.411 5.541 -8.770
193 H GLN 29 H GLN 29 -5.108 9.086 -11.398
194 HA GLN 29 HA GLN 29 -5.720 11.285 -11.683
195 HB2 GLN 29 1HB GLN 29 -8.231 9.942 -12.695
196 HB3 GLN 29 2HB GLN 29 -7.629 11.528 -13.160
197 HG2 GLN 29 1HG GLN 29 -6.511 8.832 -13.837
198 HG3 GLN 29 2HG GLN 29 -7.062 10.105 -14.926
199 HE21 GLN 29 1HE2 GLN 29 -5.820 12.256 -14.481
200 HE22 GLN 29 2HE2 GLN 29 -4.102 12.094 -14.426
201 H GLN 30 H GLN 30 -6.392 10.213 -9.052
202 HA GLN 30 HA GLN 30 -8.977 11.229 -8.332
203 HB2 GLN 30 1HB GLN 30 -6.682 9.992 -6.890
204 HB3 GLN 30 2HB GLN 30 -7.826 10.942 -5.951
205 HG2 GLN 30 1HG GLN 30 -9.573 9.444 -7.261
206 HG3 GLN 30 2HG GLN 30 -8.193 8.351 -7.336
207 HE21 GLN 30 1HE2 GLN 30 -7.580 7.261 -5.547
208 HE22 GLN 30 2HE2 GLN 30 -8.388 7.363 -4.024
209 H SER 31 H SER 31 -9.494 13.256 -7.859
210 HA SER 31 HA SER 31 -7.694 15.390 -8.071
211 HB2 SER 31 1HB SER 31 -10.020 15.805 -8.450
212 HB3 SER 31 2HB SER 31 -10.451 15.221 -6.844
213 HG SER 31 HG SER 31 -8.650 17.338 -6.986
214 H CYS 32 H CYS 32 -8.890 13.628 -5.264
215 HA CYS 32 HA CYS 32 -7.877 15.331 -3.271
216 HB2 CYS 32 1HB CYS 32 -9.479 13.229 -3.160
217 HB3 CYS 32 2HB CYS 32 -7.974 12.376 -2.830
218 H LYS 33 H LYS 33 -5.897 15.638 -2.464
219 HA LYS 33 HA LYS 33 -3.627 14.534 -3.777
220 HB2 LYS 33 1HB LYS 33 -2.312 15.871 -2.269
221 HB3 LYS 33 2HB LYS 33 -3.705 16.817 -2.781
222 HG2 LYS 33 1HG LYS 33 -4.828 16.270 -0.663
223 HG3 LYS 33 2HG LYS 33 -3.387 15.388 -0.148
224 HD2 LYS 33 1HD LYS 33 -3.185 18.247 -1.015
225 HD3 LYS 33 2HD LYS 33 -3.718 17.846 0.618
226 HE2 LYS 33 1HE LYS 33 -1.654 16.520 0.925
227 HE3 LYS 33 2HE LYS 33 -1.118 17.030 -0.675
228 HZ1 LYS 33 3HZ LYS 33 -0.236 18.332 1.280
229 HZ2 LYS 33 1HZ LYS 33 -1.793 18.972 1.453
230 HZ3 LYS 33 2HZ LYS 33 -0.922 19.243 0.030
231 H ALA 34 H ALA 34 -5.156 13.986 -0.636
232 HA ALA 34 HA ALA 34 -3.296 11.755 -0.165
233 HB1 ALA 34 3HB ALA 34 -3.213 12.381 1.964
234 HB2 ALA 34 1HB ALA 34 -4.144 13.813 1.522
235 HB3 ALA 34 2HB ALA 34 -4.972 12.364 2.094
236 H ALA 35 H ALA 35 -5.451 11.489 -2.005
237 HA ALA 35 HA ALA 35 -7.752 10.317 -0.909
238 HB1 ALA 35 3HB ALA 35 -6.674 10.758 -3.502
239 HB2 ALA 35 1HB ALA 35 -7.203 9.078 -3.396
240 HB3 ALA 35 2HB ALA 35 -8.336 10.384 -3.046
241 HA PRO 36 HA PRO 36 -6.654 6.241 0.290
242 HB2 PRO 36 1HB PRO 36 -8.641 4.715 -0.755
243 HB3 PRO 36 2HB PRO 36 -8.888 5.809 0.611
244 HG2 PRO 36 1HG PRO 36 -9.519 6.224 -2.287
245 HG3 PRO 36 2HG PRO 36 -10.492 6.628 -0.860
246 HD2 PRO 36 1HD PRO 36 -9.028 8.472 -2.198
247 HD3 PRO 36 2HD PRO 36 -9.308 8.562 -0.447
248 H GLY 37 H GLY 37 -5.162 4.835 -0.393
249 HA2 GLY 37 1HA GLY 37 -3.989 4.731 -2.831
250 HA3 GLY 37 2HA GLY 37 -4.059 3.335 -1.765
251 H CYS 38 H CYS 38 -4.605 4.253 -4.821
252 HA CYS 38 HA CYS 38 -7.126 3.002 -5.345
253 HB2 CYS 38 1HB CYS 38 -6.491 3.265 -7.727
254 HB3 CYS 38 2HB CYS 38 -6.329 4.762 -6.814
255 H THR 39 H THR 39 -3.753 2.021 -5.489
256 HA THR 39 HA THR 39 -4.225 -0.466 -6.796
257 HB THR 39 HB THR 39 -1.864 0.159 -5.026
258 HG1 THR 39 HG1 THR 39 -1.195 1.539 -6.483
259 HG21 THR 39 3HG2 THR 39 -0.759 -1.243 -6.887
260 HG22 THR 39 1HG2 THR 39 -2.402 -1.738 -7.289
261 HG23 THR 39 2HG2 THR 39 -1.744 -2.079 -5.688
262 H LEU 40 H LEU 40 -5.870 -1.531 -5.681
263 HA LEU 40 HA LEU 40 -5.026 -2.707 -3.124
264 HB2 LEU 40 1HB LEU 40 -7.425 -2.645 -2.415
265 HB3 LEU 40 2HB LEU 40 -6.620 -1.079 -2.489
266 HG LEU 40 HG LEU 40 -7.720 -0.801 -4.770
267 HD11 LEU 40 1HD1 LEU 40 -8.916 -2.465 -5.607
268 HD12 LEU 40 2HD1 LEU 40 -9.985 -2.414 -4.206
269 HD13 LEU 40 3HD1 LEU 40 -8.555 -3.445 -4.186
270 HD21 LEU 40 3HD2 LEU 40 -9.290 0.434 -3.749
271 HD22 LEU 40 1HD2 LEU 40 -8.504 -0.094 -2.261
272 HD23 LEU 40 2HD2 LEU 40 -9.933 -0.942 -2.853
273 H TRP 41 H TRP 41 -6.098 -4.756 -2.626
274 HA TRP 41 HA TRP 41 -6.254 -6.951 -3.354
275 HB2 TRP 41 1HB TRP 41 -8.710 -5.645 -4.548
276 HB3 TRP 41 2HB TRP 41 -8.513 -7.374 -4.275
277 HD1 TRP 41 HD1 TRP 41 -9.363 -4.146 -2.489
278 HE1 TRP 41 HE1 TRP 41 -10.066 -4.677 -0.071
279 HE3 TRP 41 HE3 TRP 41 -8.053 -9.086 -2.326
280 HZ2 TRP 41 HZ2 TRP 41 -10.066 -6.895 1.674
281 HZ3 TRP 41 HZ3 TRP 41 -8.438 -10.340 -0.244
282 HH2 TRP 41 HH2 TRP 41 -9.422 -9.265 1.714
283 H GLU 42 H GLU 42 -4.384 -5.968 -4.956
284 HA GLU 42 HA GLU 42 -5.198 -6.739 -7.681
285 HB2 GLU 42 1HB GLU 42 -3.266 -5.410 -8.469
286 HB3 GLU 42 2HB GLU 42 -4.450 -4.439 -7.606
287 HG2 GLU 42 1HG GLU 42 -2.559 -3.635 -6.655
288 HG3 GLU 42 2HG GLU 42 -2.871 -4.980 -5.559
289 H ALA 43 H ALA 43 -4.552 -8.667 -5.722
290 HA ALA 43 HA ALA 43 -1.821 -9.505 -6.095
291 HB1 ALA 43 3HB ALA 43 -3.981 -10.167 -4.338
292 HB2 ALA 43 1HB ALA 43 -3.329 -11.640 -5.056
293 HB3 ALA 43 2HB ALA 43 -2.263 -10.539 -4.183
294 H TYR 44 H TYR 44 -5.008 -10.701 -7.129
295 HA TYR 44 HA TYR 44 -4.283 -12.954 -8.510
296 HB2 TYR 44 1HB TYR 44 -6.618 -12.051 -8.153
297 HB3 TYR 44 2HB TYR 44 -6.336 -10.986 -9.526
298 HD1 TYR 44 HD1 TYR 44 -6.571 -14.541 -8.512
299 HD2 TYR 44 HD2 TYR 44 -6.566 -11.772 -11.743
300 HE1 TYR 44 HE1 TYR 44 -7.292 -16.330 -10.039
301 HE2 TYR 44 HE2 TYR 44 -7.289 -13.552 -13.278
302 HH TYR 44 HH TYR 44 -8.529 -16.465 -12.262
303 H SER 45 H SER 45 -2.888 -13.310 -10.091
304 HA SER 45 HA SER 45 -1.710 -11.185 -11.586
305 HB2 SER 45 1HB SER 45 -0.473 -12.996 -12.742
306 HB3 SER 45 2HB SER 45 -0.397 -13.151 -10.987
307 HG SER 45 HG SER 45 -1.360 -15.004 -11.149
308 H GLY 46 H GLY 46 -1.425 -11.729 -14.099
309 HA2 GLY 46 1HA GLY 46 -3.884 -11.104 -15.305
310 HA3 GLY 46 2HA GLY 46 -2.430 -11.600 -16.157
311 HA PRO 47 HA PRO 47 -5.852 -14.987 -15.902
312 HB2 PRO 47 1HB PRO 47 -7.365 -14.386 -18.075
313 HB3 PRO 47 2HB PRO 47 -7.730 -13.784 -16.453
314 HG2 PRO 47 1HG PRO 47 -6.343 -12.403 -18.718
315 HG3 PRO 47 2HG PRO 47 -7.572 -11.771 -17.606
316 HD2 PRO 47 1HD PRO 47 -4.931 -11.248 -17.310
317 HD3 PRO 47 2HD PRO 47 -6.038 -11.389 -15.929
318 H SER 48 H SER 48 -4.256 -13.433 -18.641
319 HA SER 48 HA SER 48 -3.667 -16.109 -19.727
320 HB2 SER 48 1HB SER 48 -3.579 -15.006 -21.982
321 HB3 SER 48 2HB SER 48 -5.183 -15.021 -21.250
322 HG SER 48 HG SER 48 -4.850 -12.970 -21.993
323 H SER 49 H SER 49 -1.666 -16.164 -21.072
324 HA SER 49 HA SER 49 0.608 -16.017 -21.123
325 HB2 SER 49 1HB SER 49 -0.128 -13.893 -22.295
326 HB3 SER 49 2HB SER 49 0.167 -13.048 -20.775
327 HG SER 49 HG SER 49 2.336 -14.305 -21.069
328 H GLY 50 H GLY 50 -0.379 -16.637 -18.597
329 HA2 GLY 50 1HA GLY 50 1.095 -14.982 -16.692
330 HA3 GLY 50 2HA GLY 50 -0.012 -16.288 -16.295