Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
617339 | 5nce RC | 34113 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 15.211 -4.996 4.398
2 H2 ARG 1 HT2 ARG 1 15.419 -6.405 3.508
3 H3 ARG 1 HT3 ARG 1 15.811 -6.301 5.169
4 HA ARG 1 HA ARG 1 13.556 -7.378 4.678
5 HB2 ARG 1 HB2 ARG 1 13.914 -5.020 6.512
6 HB3 ARG 1 HB1 ARG 1 12.437 -5.965 6.491
7 HG2 ARG 1 HG2 ARG 1 13.602 -7.916 7.238
8 HG3 ARG 1 HG1 ARG 1 15.162 -7.111 7.046
9 HD2 ARG 1 HD2 ARG 1 14.643 -5.552 8.780
10 HD3 ARG 1 HD1 ARG 1 12.999 -6.146 8.903
11 HE ARG 1 HE ARG 1 13.801 -8.173 9.843
12 HH11 ARG 1 HH11 ARG 1 16.387 -5.764 9.496
13 HH12 ARG 1 HH12 ARG 1 17.321 -6.318 10.777
14 HH21 ARG 1 HH21 ARG 1 15.115 -9.001 11.656
15 HH22 ARG 1 HH22 ARG 1 16.582 -8.225 12.043
16 H MET 2 HN MET 2 11.409 -7.090 4.170
17 HA MET 2 HA MET 2 10.800 -4.700 2.572
18 HB2 MET 2 HB2 MET 2 9.572 -7.454 2.661
19 HB3 MET 2 HB1 MET 2 8.851 -6.096 1.811
20 HG2 MET 2 HG2 MET 2 10.799 -5.926 0.396
21 HG3 MET 2 HG1 MET 2 11.558 -7.256 1.267
22 HE1 MET 2 HE1 MET 2 8.978 -9.226 1.648
23 HE2 MET 2 HE2 MET 2 10.580 -9.787 1.173
24 HE3 MET 2 HE3 MET 2 9.167 -10.252 0.226
25 H CYS 3 HN CYS 3 10.071 -3.273 3.745
26 HA CYS 3 HA CYS 3 8.447 -3.855 6.058
27 HB2 CYS 3 HB2 CYS 3 9.736 -1.481 4.884
28 HB3 CYS 3 HB1 CYS 3 8.369 -1.190 5.973
29 H LYS 4 HN LYS 4 6.407 -4.284 5.782
30 HA LYS 4 HA LYS 4 4.978 -3.120 3.540
31 HB2 LYS 4 HB2 LYS 4 4.822 -5.593 4.137
32 HB3 LYS 4 HB1 LYS 4 3.987 -5.105 5.606
33 HG2 LYS 4 HG2 LYS 4 2.182 -4.139 4.284
34 HG3 LYS 4 HG1 LYS 4 3.069 -4.505 2.815
35 HD2 LYS 4 HD2 LYS 4 1.363 -6.142 3.084
36 HD3 LYS 4 HD1 LYS 4 2.924 -6.892 3.341
37 HE2 LYS 4 HE2 LYS 4 2.606 -6.794 5.772
38 HE3 LYS 4 HE1 LYS 4 1.040 -6.017 5.539
39 HZ1 LYS 4 HZ1 LYS 4 1.716 -8.757 4.565
40 HZ2 LYS 4 HZ2 LYS 4 0.216 -8.012 4.461
41 HZ3 LYS 4 HZ3 LYS 4 0.810 -8.418 5.947
42 H THR 5 HN THR 5 4.207 -1.209 3.911
43 HA THR 5 HA THR 5 3.426 -0.347 6.599
44 HB THR 5 HB THR 5 4.396 1.085 4.138
45 HG1 THR 5 HG1 THR 5 5.579 -0.135 6.072
46 HG21 THR 5 HG21 THR 5 3.670 2.269 6.841
47 HG22 THR 5 HG22 THR 5 2.838 2.523 5.288
48 HG23 THR 5 HG23 THR 5 4.474 3.117 5.506
49 HA PRO 6 HA PRO 6 -0.737 -0.238 4.844
50 HB2 PRO 6 HB2 PRO 6 -1.891 1.333 6.777
51 HB3 PRO 6 HB1 PRO 6 -1.644 -0.417 6.935
52 HG2 PRO 6 HG2 PRO 6 -0.082 1.805 8.113
53 HG3 PRO 6 HG1 PRO 6 -0.443 0.200 8.776
54 HD2 PRO 6 HD2 PRO 6 1.969 0.868 7.687
55 HD3 PRO 6 HD1 PRO 6 1.327 -0.786 7.722
56 H SER 7 HN SER 7 -1.317 0.973 3.229
57 HA SER 7 HA SER 7 -0.305 3.474 2.551
58 HB2 SER 7 HB2 SER 7 -2.244 3.494 0.931
59 HB3 SER 7 HB1 SER 7 -1.199 2.070 0.858
60 HG SER 7 HG SER 7 -2.670 0.873 1.619
61 H GLY 8 HN GLY 8 -0.976 5.541 2.825
62 HA2 GLY 8 HA2 GLY 8 -2.978 5.942 4.885
63 HA3 GLY 8 HA1 GLY 8 -1.782 7.102 4.333
64 H LYS 9 HN LYS 9 -2.483 6.782 1.386
65 HA LYS 9 HA LYS 9 -4.909 8.383 1.727
66 HB2 LYS 9 HB2 LYS 9 -4.409 9.572 -0.127
67 HB3 LYS 9 HB1 LYS 9 -3.094 9.687 1.031
68 HG2 LYS 9 HG2 LYS 9 -1.780 8.279 -0.265
69 HG3 LYS 9 HG1 LYS 9 -3.102 7.957 -1.391
70 HD2 LYS 9 HD2 LYS 9 -3.325 10.407 -1.456
71 HD3 LYS 9 HD1 LYS 9 -1.677 10.456 -0.812
72 HE2 LYS 9 HE2 LYS 9 -2.604 8.918 -3.115
73 HE3 LYS 9 HE1 LYS 9 -1.730 10.465 -3.332
74 HZ1 LYS 9 HZ1 LYS 9 -0.720 7.899 -2.162
75 HZ2 LYS 9 HZ2 LYS 9 0.151 9.327 -2.091
76 HZ3 LYS 9 HZ3 LYS 9 -0.172 8.601 -3.582
77 H PHE 10 HN PHE 10 -3.970 5.500 0.809
78 HA PHE 10 HA PHE 10 -5.620 5.164 -1.498
79 HB2 PHE 10 HB2 PHE 10 -3.683 3.648 -0.640
80 HB3 PHE 10 HB1 PHE 10 -4.961 3.010 0.405
81 HD1 PHE 10 HD1 PHE 10 -6.788 1.683 -0.494
82 HD2 PHE 10 HD2 PHE 10 -3.765 3.354 -2.869
83 HE1 PHE 10 HE1 PHE 10 -7.511 0.228 -2.342
84 HE2 PHE 10 HE2 PHE 10 -4.445 1.895 -4.803
85 HZ PHE 10 HZ PHE 10 -6.345 0.330 -4.505
86 H LYS 11 HN LYS 11 -7.531 5.105 -1.663
87 HA LYS 11 HA LYS 11 -9.245 4.205 0.528
88 HB2 LYS 11 HB2 LYS 11 -9.883 6.591 -1.250
89 HB3 LYS 11 HB1 LYS 11 -10.807 6.009 0.120
90 HG2 LYS 11 HG2 LYS 11 -8.139 7.389 0.194
91 HG3 LYS 11 HG1 LYS 11 -9.694 8.025 0.728
92 HD2 LYS 11 HD2 LYS 11 -9.708 5.990 2.320
93 HD3 LYS 11 HD1 LYS 11 -8.035 5.850 1.904
94 HE2 LYS 11 HE2 LYS 11 -9.175 8.397 2.955
95 HE3 LYS 11 HE1 LYS 11 -8.406 7.187 3.987
96 HZ1 LYS 11 HZ1 LYS 11 -7.067 8.485 1.671
97 HZ2 LYS 11 HZ2 LYS 11 -6.333 7.527 2.876
98 HZ3 LYS 11 HZ3 LYS 11 -6.925 9.038 3.259
99 H GLY 12 HN GLY 12 -9.882 2.285 -0.446
100 HA2 GLY 12 HA2 GLY 12 -11.834 1.987 -2.147
101 HA3 GLY 12 HA1 GLY 12 -10.529 2.351 -3.269
102 H TYR 13 HN TYR 13 -10.979 0.244 -4.108
103 HA TYR 13 HA TYR 13 -10.232 -1.979 -2.411
104 HB2 TYR 13 HB2 TYR 13 -11.938 -1.673 -4.756
105 HB3 TYR 13 HB1 TYR 13 -10.939 -3.122 -4.768
106 HD1 TYR 13 HD1 TYR 13 -11.109 -4.733 -2.999
107 HD2 TYR 13 HD2 TYR 13 -13.780 -1.450 -3.204
108 HE1 TYR 13 HE1 TYR 13 -12.569 -5.878 -1.466
109 HE2 TYR 13 HE2 TYR 13 -15.310 -2.596 -1.642
110 HH TYR 13 HH TYR 13 -15.792 -4.868 -0.858
111 H CYS 14 HN CYS 14 -8.273 -2.656 -2.385
112 HA CYS 14 HA CYS 14 -6.483 -2.139 -4.604
113 HB2 CYS 14 HB2 CYS 14 -5.853 -2.033 -2.099
114 HB3 CYS 14 HB1 CYS 14 -5.861 -3.787 -2.145
115 H VAL 15 HN VAL 15 -8.022 -3.494 -5.926
116 HA VAL 15 HA VAL 15 -7.718 -6.308 -5.632
117 HB VAL 15 HB VAL 15 -8.793 -6.502 -7.907
118 HG11 VAL 15 HG11 VAL 15 -10.995 -5.690 -7.167
119 HG12 VAL 15 HG12 VAL 15 -10.206 -4.775 -5.881
120 HG13 VAL 15 HG13 VAL 15 -10.132 -6.534 -5.881
121 HG21 VAL 15 HG21 VAL 15 -9.778 -4.483 -8.917
122 HG22 VAL 15 HG22 VAL 15 -8.017 -4.382 -8.883
123 HG23 VAL 15 HG23 VAL 15 -8.974 -3.485 -7.704
124 H ASN 16 HN ASN 16 -6.217 -3.902 -7.717
125 HA ASN 16 HA ASN 16 -4.328 -5.923 -8.700
126 HB2 ASN 16 HB2 ASN 16 -5.612 -4.507 -10.367
127 HB3 ASN 16 HB1 ASN 16 -4.849 -3.088 -9.678
128 HD21 ASN 16 HD21 ASN 16 -4.768 -3.947 -12.387
129 HD22 ASN 16 HD22 ASN 16 -3.125 -4.255 -12.802
130 H ASN 17 HN ASN 17 -2.130 -5.532 -8.362
131 HA ASN 17 HA ASN 17 -1.520 -4.033 -6.002
132 HB2 ASN 17 HB2 ASN 17 0.323 -5.470 -7.910
133 HB3 ASN 17 HB1 ASN 17 0.839 -4.718 -6.409
134 HD21 ASN 17 HD21 ASN 17 -0.592 -7.480 -7.877
135 HD22 ASN 17 HD22 ASN 17 -0.825 -8.371 -6.416
136 H THR 18 HN THR 18 -1.324 -3.469 -9.352
137 HA THR 18 HA THR 18 0.637 -1.486 -9.541
138 HB THR 18 HB THR 18 -1.874 -1.769 -11.212
139 HG1 THR 18 HG1 THR 18 -0.961 -3.712 -11.378
140 HG21 THR 18 HG21 THR 18 0.879 -0.693 -11.897
141 HG22 THR 18 HG22 THR 18 -0.572 0.285 -11.664
142 HG23 THR 18 HG23 THR 18 -0.483 -0.852 -13.010
143 H ASN 19 HN ASN 19 -2.909 -1.099 -8.721
144 HA ASN 19 HA ASN 19 -2.797 1.727 -8.793
145 HB2 ASN 19 HB2 ASN 19 -4.877 1.463 -7.247
146 HB3 ASN 19 HB1 ASN 19 -5.060 1.006 -8.950
147 HD21 ASN 19 HD21 ASN 19 -4.939 0.007 -5.653
148 HD22 ASN 19 HD22 ASN 19 -5.431 -1.626 -5.961
149 H CYS 20 HN CYS 20 -2.473 -0.685 -6.305
150 HA CYS 20 HA CYS 20 -2.252 0.901 -4.000
151 HB2 CYS 20 HB2 CYS 20 -2.169 -1.701 -4.358
152 HB3 CYS 20 HB1 CYS 20 -0.510 -1.421 -4.618
153 H LYS 21 HN LYS 21 -0.039 -0.336 -6.326
154 HA LYS 21 HA LYS 21 2.264 0.276 -5.342
155 HB2 LYS 21 HB2 LYS 21 1.359 -0.795 -7.638
156 HB3 LYS 21 HB1 LYS 21 1.967 0.757 -8.202
157 HG2 LYS 21 HG2 LYS 21 4.151 0.258 -7.599
158 HG3 LYS 21 HG1 LYS 21 3.638 -1.203 -6.729
159 HD2 LYS 21 HD2 LYS 21 2.842 -2.219 -8.735
160 HD3 LYS 21 HD1 LYS 21 3.114 -0.741 -9.653
161 HE2 LYS 21 HE2 LYS 21 4.807 -2.328 -10.124
162 HE3 LYS 21 HE1 LYS 21 5.440 -0.923 -9.243
163 HZ1 LYS 21 HZ1 LYS 21 4.823 -3.579 -8.024
164 HZ2 LYS 21 HZ2 LYS 21 5.507 -2.275 -7.199
165 HZ3 LYS 21 HZ3 LYS 21 6.374 -3.055 -8.414
166 H ASN 22 HN ASN 22 0.285 2.090 -7.669
167 HA ASN 22 HA ASN 22 1.961 4.329 -7.989
168 HB2 ASN 22 HB2 ASN 22 -0.989 4.038 -8.536
169 HB3 ASN 22 HB1 ASN 22 -0.040 5.444 -8.996
170 HD21 ASN 22 HD21 ASN 22 -1.457 3.612 -10.725
171 HD22 ASN 22 HD22 ASN 22 -0.278 2.933 -11.788
172 H VAL 23 HN VAL 23 -0.760 3.750 -5.842
173 HA VAL 23 HA VAL 23 -0.794 6.416 -4.821
174 HB VAL 23 HB VAL 23 -1.808 3.868 -3.521
175 HG11 VAL 23 HG11 VAL 23 -3.256 5.372 -2.204
176 HG12 VAL 23 HG12 VAL 23 -2.483 6.754 -2.973
177 HG13 VAL 23 HG13 VAL 23 -1.547 5.703 -1.921
178 HG21 VAL 23 HG21 VAL 23 -3.180 5.862 -5.309
179 HG22 VAL 23 HG22 VAL 23 -4.017 4.664 -4.340
180 HG23 VAL 23 HG23 VAL 23 -2.919 4.132 -5.629
181 H CYS 24 HN CYS 24 0.785 3.464 -3.738
182 HA CYS 24 HA CYS 24 2.008 4.650 -1.511
183 HB2 CYS 24 HB2 CYS 24 2.705 2.233 -3.166
184 HB3 CYS 24 HB1 CYS 24 3.562 2.633 -1.686
185 H ARG 25 HN ARG 25 3.004 4.312 -4.859
186 HA ARG 25 HA ARG 25 5.588 5.345 -4.566
187 HB2 ARG 25 HB2 ARG 25 3.779 5.300 -6.978
188 HB3 ARG 25 HB1 ARG 25 5.476 5.774 -7.039
189 HG2 ARG 25 HG2 ARG 25 6.219 3.620 -6.440
190 HG3 ARG 25 HG1 ARG 25 4.613 3.134 -5.904
191 HD2 ARG 25 HD2 ARG 25 4.947 2.062 -7.960
192 HD3 ARG 25 HD1 ARG 25 3.876 3.438 -8.269
193 HE ARG 25 HE ARG 25 6.688 3.776 -8.632
194 HH11 ARG 25 HH11 ARG 25 3.506 3.387 -10.247
195 HH12 ARG 25 HH12 ARG 25 4.061 3.783 -11.778
196 HH21 ARG 25 HH21 ARG 25 7.454 4.343 -10.828
197 HH22 ARG 25 HH22 ARG 25 6.373 4.343 -12.141
198 H THR 26 HN THR 26 2.495 6.893 -4.924
199 HA THR 26 HA THR 26 3.658 9.510 -5.161
200 HB THR 26 HB THR 26 1.139 10.127 -4.598
201 HG1 THR 26 HG1 THR 26 0.805 7.588 -5.699
202 HG21 THR 26 HG21 THR 26 2.258 10.598 -6.726
203 HG22 THR 26 HG22 THR 26 0.625 9.971 -6.998
204 HG23 THR 26 HG23 THR 26 2.028 8.916 -7.204
205 H GLU 27 HN GLU 27 2.312 7.609 -2.585
206 HA GLU 27 HA GLU 27 2.467 9.616 -0.573
207 HB2 GLU 27 HB2 GLU 27 2.454 6.601 -0.328
208 HB3 GLU 27 HB1 GLU 27 2.584 7.643 1.086
209 HG2 GLU 27 HG2 GLU 27 0.460 8.690 0.519
210 HG3 GLU 27 HG1 GLU 27 0.405 7.698 -0.935
211 H GLY 28 HN GLY 28 4.865 7.405 -1.781
212 HA2 GLY 28 HA2 GLY 28 7.131 8.596 -1.750
213 HA3 GLY 28 HA1 GLY 28 6.850 8.708 -0.016
214 H PHE 29 HN PHE 29 6.085 5.997 -2.103
215 HA PHE 29 HA PHE 29 8.090 4.412 -0.685
216 HB2 PHE 29 HB2 PHE 29 5.296 3.620 -1.483
217 HB3 PHE 29 HB1 PHE 29 6.493 2.519 -0.815
218 HD1 PHE 29 HD1 PHE 29 4.203 5.267 -0.126
219 HD2 PHE 29 HD2 PHE 29 7.042 2.574 1.501
220 HE1 PHE 29 HE1 PHE 29 3.407 5.841 2.094
221 HE2 PHE 29 HE2 PHE 29 6.306 3.102 3.747
222 HZ PHE 29 HZ PHE 29 4.455 4.765 4.090
223 HA PRO 30 HA PRO 30 9.460 3.287 -4.741
224 HB2 PRO 30 HB2 PRO 30 10.186 0.663 -4.170
225 HB3 PRO 30 HB1 PRO 30 11.233 2.066 -3.917
226 HG2 PRO 30 HG2 PRO 30 9.638 0.545 -1.947
227 HG3 PRO 30 HG1 PRO 30 11.176 1.403 -1.743
228 HD2 PRO 30 HD2 PRO 30 8.829 2.353 -0.828
229 HD3 PRO 30 HD1 PRO 30 10.156 3.405 -1.340
230 H THR 31 HN THR 31 7.203 1.153 -2.985
231 HA THR 31 HA THR 31 5.774 0.672 -5.382
232 HB THR 31 HB THR 31 7.529 -0.942 -5.755
233 HG1 THR 31 HG1 THR 31 5.699 -2.747 -4.789
234 HG21 THR 31 HG21 THR 31 7.966 -2.797 -4.098
235 HG22 THR 31 HG22 THR 31 6.985 -1.878 -2.936
236 HG23 THR 31 HG23 THR 31 8.463 -1.189 -3.577
237 H GLY 32 HN GLY 32 3.971 -0.998 -4.853
238 HA2 GLY 32 HA2 GLY 32 3.192 -1.047 -2.121
239 HA3 GLY 32 HA1 GLY 32 2.150 -0.119 -3.216
240 H SER 33 HN SER 33 1.430 -2.477 -1.903
241 HA SER 33 HA SER 33 0.633 -4.095 -4.105
242 HB2 SER 33 HB2 SER 33 2.672 -4.947 -2.120
243 HB3 SER 33 HB1 SER 33 1.712 -6.199 -2.932
244 HG SER 33 HG SER 33 2.767 -4.247 -4.512
245 H CYS 34 HN CYS 34 -0.849 -5.852 -3.321
246 HA CYS 34 HA CYS 34 -2.556 -4.583 -1.367
247 HB2 CYS 34 HB2 CYS 34 -3.157 -6.823 -3.284
248 HB3 CYS 34 HB1 CYS 34 -4.322 -5.939 -2.306
249 H ASP 35 HN ASP 35 -3.538 -5.724 0.289
250 HA ASP 35 HA ASP 35 -2.487 -8.337 1.049
251 HB2 ASP 35 HB2 ASP 35 -1.117 -6.632 2.018
252 HB3 ASP 35 HB1 ASP 35 -2.526 -5.762 2.575
253 H PHE 36 HN PHE 36 -3.919 -9.260 2.766
254 HA PHE 36 HA PHE 36 -6.592 -8.122 2.708
255 HB2 PHE 36 HB2 PHE 36 -6.367 -10.173 1.220
256 HB3 PHE 36 HB1 PHE 36 -5.925 -11.085 2.652
257 HD1 PHE 36 HD1 PHE 36 -8.328 -11.225 0.564
258 HD2 PHE 36 HD2 PHE 36 -7.967 -9.911 4.588
259 HE1 PHE 36 HE1 PHE 36 -10.718 -11.726 0.944
260 HE2 PHE 36 HE2 PHE 36 -10.322 -10.397 4.991
261 HZ PHE 36 HZ PHE 36 -11.722 -11.323 3.159
262 H HIS 37 HN HIS 37 -6.654 -7.361 4.655
263 HA HIS 37 HA HIS 37 -6.290 -9.258 6.871
264 HB2 HIS 37 HB2 HIS 37 -4.846 -7.812 8.123
265 HB3 HIS 37 HB1 HIS 37 -4.355 -7.578 6.439
266 HD1 HIS 37 HD1 HIS 37 -5.820 -5.763 9.281
267 HD2 HIS 37 HD2 HIS 37 -4.963 -5.125 5.284
268 HE1 HIS 37 HE1 HIS 37 -5.946 -3.264 8.931
269 HE2 HIS 37 HE2 HIS 37 -4.792 -3.068 6.745
270 H VAL 38 HN VAL 38 -8.347 -7.650 5.191
271 HA VAL 38 HA VAL 38 -10.152 -6.965 7.290
272 HB VAL 38 HB VAL 38 -10.710 -4.737 6.079
273 HG11 VAL 38 HG11 VAL 38 -9.656 -4.678 8.268
274 HG12 VAL 38 HG12 VAL 38 -8.970 -3.416 7.224
275 HG13 VAL 38 HG13 VAL 38 -8.071 -4.894 7.521
276 HG21 VAL 38 HG21 VAL 38 -7.933 -5.157 4.984
277 HG22 VAL 38 HG22 VAL 38 -8.823 -3.655 4.872
278 HG23 VAL 38 HG23 VAL 38 -9.411 -5.097 4.021
279 H ALA 39 HN ALA 39 -12.315 -6.600 6.333
280 HA ALA 39 HA ALA 39 -12.763 -8.494 4.297
281 HB1 ALA 39 HB1 ALA 39 -14.404 -8.123 6.093
282 HB2 ALA 39 HB2 ALA 39 -15.131 -7.882 4.504
283 HB3 ALA 39 HB3 ALA 39 -14.689 -6.489 5.491
284 H GLY 40 HN GLY 40 -11.535 -7.745 2.698
285 HA2 GLY 40 HA2 GLY 40 -12.503 -6.731 0.488
286 HA3 GLY 40 HA1 GLY 40 -12.115 -5.253 1.379
287 H ARG 41 HN ARG 41 -10.399 -4.626 0.100
288 HA ARG 41 HA ARG 41 -8.023 -6.357 0.224
289 HB2 ARG 41 HB2 ARG 41 -8.913 -4.430 -1.867
290 HB3 ARG 41 HB1 ARG 41 -7.442 -5.444 -1.861
291 HG2 ARG 41 HG2 ARG 41 -10.208 -6.524 -1.744
292 HG3 ARG 41 HG1 ARG 41 -9.508 -6.083 -3.263
293 HD2 ARG 41 HD2 ARG 41 -8.224 -8.037 -1.330
294 HD3 ARG 41 HD1 ARG 41 -9.269 -8.543 -2.657
295 HE ARG 41 HE ARG 41 -7.121 -6.868 -3.518
296 HH11 ARG 41 HH11 ARG 41 -7.862 -10.200 -2.615
297 HH12 ARG 41 HH12 ARG 41 -6.739 -10.917 -3.675
298 HH21 ARG 41 HH21 ARG 41 -5.595 -7.819 -5.043
299 HH22 ARG 41 HH22 ARG 41 -5.393 -9.497 -5.107
300 H LYS 42 HN LYS 42 -6.341 -5.283 1.303
301 HA LYS 42 HA LYS 42 -6.633 -2.400 1.482
302 HB2 LYS 42 HB2 LYS 42 -6.914 -3.409 3.668
303 HB3 LYS 42 HB1 LYS 42 -5.454 -4.342 3.494
304 HG2 LYS 42 HG2 LYS 42 -5.240 -2.388 5.009
305 HG3 LYS 42 HG1 LYS 42 -4.084 -2.396 3.687
306 HD2 LYS 42 HD2 LYS 42 -5.363 -0.698 2.514
307 HD3 LYS 42 HD1 LYS 42 -6.631 -0.762 3.753
308 HE2 LYS 42 HE2 LYS 42 -5.263 0.107 5.365
309 HE3 LYS 42 HE1 LYS 42 -3.786 -0.167 4.451
310 HZ1 LYS 42 HZ1 LYS 42 -4.400 2.244 4.430
311 HZ2 LYS 42 HZ2 LYS 42 -5.875 1.901 3.704
312 HZ3 LYS 42 HZ3 LYS 42 -4.420 1.611 2.902
313 H CYS 43 HN CYS 43 -5.150 -1.241 0.667
314 HA CYS 43 HA CYS 43 -2.920 -2.344 -0.726
315 HB2 CYS 43 HB2 CYS 43 -4.123 -0.496 -1.658
316 HB3 CYS 43 HB1 CYS 43 -3.918 0.448 -0.196
317 H TYR 44 HN TYR 44 -0.811 -2.431 -0.047
318 HA TYR 44 HA TYR 44 -0.044 -0.883 2.280
319 HB2 TYR 44 HB2 TYR 44 0.450 -3.765 1.700
320 HB3 TYR 44 HB1 TYR 44 1.573 -2.821 2.665
321 HD1 TYR 44 HD1 TYR 44 -1.927 -3.902 2.463
322 HD2 TYR 44 HD2 TYR 44 1.190 -2.473 4.926
323 HE1 TYR 44 HE1 TYR 44 -3.271 -4.415 4.408
324 HE2 TYR 44 HE2 TYR 44 -0.121 -2.970 6.921
325 HH TYR 44 HH TYR 44 -2.598 -4.969 6.892
326 H CYS 45 HN CYS 45 1.986 -0.207 2.242
327 HA CYS 45 HA CYS 45 3.128 -0.082 -0.405
328 HB2 CYS 45 HB2 CYS 45 3.640 1.649 2.018
329 HB3 CYS 45 HB1 CYS 45 4.148 1.972 0.399
330 H TYR 46 HN TYR 46 5.212 -0.667 -0.744
331 HA TYR 46 HA TYR 46 6.487 -2.022 1.498
332 HB2 TYR 46 HB2 TYR 46 6.407 -2.732 -1.397
333 HB3 TYR 46 HB1 TYR 46 7.670 -3.359 -0.347
334 HD1 TYR 46 HD1 TYR 46 3.921 -3.198 -0.713
335 HD2 TYR 46 HD2 TYR 46 7.296 -5.300 0.823
336 HE1 TYR 46 HE1 TYR 46 2.480 -4.979 -0.068
337 HE2 TYR 46 HE2 TYR 46 5.868 -7.148 1.460
338 HH TYR 46 HH TYR 46 2.676 -7.462 0.332
339 H LYS 47 HN LYS 47 8.457 -1.622 1.979
340 HA LYS 47 HA LYS 47 10.099 -0.065 0.200
341 HB2 LYS 47 HB2 LYS 47 10.638 1.631 1.938
342 HB3 LYS 47 HB1 LYS 47 8.987 1.722 1.353
343 HG2 LYS 47 HG2 LYS 47 8.202 0.620 3.390
344 HG3 LYS 47 HG1 LYS 47 9.855 0.458 3.966
345 HD2 LYS 47 HD2 LYS 47 10.071 2.914 3.944
346 HD3 LYS 47 HD1 LYS 47 8.379 3.037 3.464
347 HE2 LYS 47 HE2 LYS 47 8.533 3.361 5.847
348 HE3 LYS 47 HE1 LYS 47 7.762 1.806 5.534
349 HZ1 LYS 47 HZ1 LYS 47 9.909 0.712 5.971
350 HZ2 LYS 47 HZ2 LYS 47 9.410 1.621 7.295
351 HZ3 LYS 47 HZ3 LYS 47 10.613 2.212 6.273
352 HA PRO 48 HA PRO 48 13.110 -2.708 2.018
353 HB2 PRO 48 HB2 PRO 48 15.353 -1.451 1.194
354 HB3 PRO 48 HB1 PRO 48 14.311 -2.328 0.054
355 HG2 PRO 48 HG2 PRO 48 14.498 0.591 0.542
356 HG3 PRO 48 HG1 PRO 48 14.304 -0.290 -0.988
357 HD2 PRO 48 HD2 PRO 48 12.219 0.908 0.300
358 HD3 PRO 48 HD1 PRO 48 12.055 -0.519 -0.742
359 H CYS 49 HN CYS 49 13.310 -2.731 4.014
360 HA CYS 49 HA CYS 49 14.701 -0.587 5.477
361 HB2 CYS 49 HB2 CYS 49 12.869 -2.834 6.368
362 HB3 CYS 49 HB1 CYS 49 13.715 -1.754 7.496
363 HA PRO 50 HA PRO 50 18.090 -3.489 5.753
364 HB2 PRO 50 HB2 PRO 50 18.203 -3.179 8.701
365 HB3 PRO 50 HB1 PRO 50 19.445 -2.779 7.498
366 HG2 PRO 50 HG2 PRO 50 18.147 -0.858 8.764
367 HG3 PRO 50 HG1 PRO 50 18.572 -0.708 7.047
368 HD2 PRO 50 HD2 PRO 50 15.930 -1.374 8.266
369 HD3 PRO 50 HD1 PRO 50 16.309 -0.312 6.893
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 15.199 -6.843 3.001
2 H2 ARG 1 HT2 ARG 1 15.665 -6.853 4.678
3 H3 ARG 1 HT3 ARG 1 15.078 -5.522 4.001
4 HA ARG 1 HA ARG 1 13.332 -7.843 4.114
5 HB2 ARG 1 HB2 ARG 1 13.803 -5.665 6.135
6 HB3 ARG 1 HB1 ARG 1 12.281 -6.533 6.045
7 HG2 ARG 1 HG2 ARG 1 13.345 -8.591 6.619
8 HG3 ARG 1 HG1 ARG 1 14.945 -7.860 6.473
9 HD2 ARG 1 HD2 ARG 1 14.529 -6.425 8.336
10 HD3 ARG 1 HD1 ARG 1 12.855 -6.935 8.430
11 HE ARG 1 HE ARG 1 13.539 -9.073 9.195
12 HH11 ARG 1 HH11 ARG 1 16.272 -6.811 9.001
13 HH12 ARG 1 HH12 ARG 1 17.201 -7.556 10.183
14 HH21 ARG 1 HH21 ARG 1 14.842 -10.164 10.868
15 HH22 ARG 1 HH22 ARG 1 16.368 -9.526 11.279
16 H MET 2 HN MET 2 11.157 -7.353 3.791
17 HA MET 2 HA MET 2 10.668 -4.867 2.302
18 HB2 MET 2 HB2 MET 2 9.330 -7.574 2.244
19 HB3 MET 2 HB1 MET 2 8.670 -6.142 1.470
20 HG2 MET 2 HG2 MET 2 10.584 -5.992 0.027
21 HG3 MET 2 HG1 MET 2 11.347 -7.340 0.863
22 HE1 MET 2 HE1 MET 2 10.448 -8.829 -2.683
23 HE2 MET 2 HE2 MET 2 11.740 -8.535 -1.517
24 HE3 MET 2 HE3 MET 2 10.963 -7.179 -2.335
25 H CYS 3 HN CYS 3 9.942 -3.463 3.523
26 HA CYS 3 HA CYS 3 8.345 -4.121 5.840
27 HB2 CYS 3 HB2 CYS 3 9.739 -1.755 4.791
28 HB3 CYS 3 HB1 CYS 3 8.383 -1.443 5.884
29 H LYS 4 HN LYS 4 6.261 -4.244 5.753
30 HA LYS 4 HA LYS 4 4.851 -3.090 3.487
31 HB2 LYS 4 HB2 LYS 4 4.638 -5.545 4.078
32 HB3 LYS 4 HB1 LYS 4 3.866 -5.052 5.578
33 HG2 LYS 4 HG2 LYS 4 2.028 -4.071 4.353
34 HG3 LYS 4 HG1 LYS 4 2.864 -4.374 2.839
35 HD2 LYS 4 HD2 LYS 4 1.165 -6.019 3.094
36 HD3 LYS 4 HD1 LYS 4 2.736 -6.775 3.264
37 HE2 LYS 4 HE2 LYS 4 2.494 -6.794 5.709
38 HE3 LYS 4 HE1 LYS 4 0.923 -6.008 5.562
39 HZ1 LYS 4 HZ1 LYS 4 1.560 -8.701 4.439
40 HZ2 LYS 4 HZ2 LYS 4 0.052 -7.961 4.433
41 HZ3 LYS 4 HZ3 LYS 4 0.713 -8.430 5.871
42 H THR 5 HN THR 5 4.138 -1.123 3.861
43 HA THR 5 HA THR 5 3.364 -0.265 6.556
44 HB THR 5 HB THR 5 4.497 1.169 4.163
45 HG1 THR 5 HG1 THR 5 5.523 -0.137 6.174
46 HG21 THR 5 HG21 THR 5 4.662 3.145 5.623
47 HG22 THR 5 HG22 THR 5 3.702 2.306 6.862
48 HG23 THR 5 HG23 THR 5 3.009 2.675 5.266
49 HA PRO 6 HA PRO 6 -0.788 0.061 4.789
50 HB2 PRO 6 HB2 PRO 6 -1.904 1.673 6.696
51 HB3 PRO 6 HB1 PRO 6 -1.641 -0.068 6.924
52 HG2 PRO 6 HG2 PRO 6 -0.007 2.208 7.909
53 HG3 PRO 6 HG1 PRO 6 -0.446 0.692 8.724
54 HD2 PRO 6 HD2 PRO 6 1.986 1.071 7.626
55 HD3 PRO 6 HD1 PRO 6 1.198 -0.519 7.673
56 H SER 7 HN SER 7 -1.539 1.290 3.222
57 HA SER 7 HA SER 7 -0.524 3.842 2.529
58 HB2 SER 7 HB2 SER 7 -2.418 3.720 0.862
59 HB3 SER 7 HB1 SER 7 -1.287 2.370 0.802
60 HG SER 7 HG SER 7 -2.711 1.073 1.479
61 H GLY 8 HN GLY 8 -1.532 5.943 2.641
62 HA2 GLY 8 HA2 GLY 8 -3.659 6.121 4.599
63 HA3 GLY 8 HA1 GLY 8 -2.580 7.405 4.078
64 H LYS 9 HN LYS 9 -2.900 7.199 1.216
65 HA LYS 9 HA LYS 9 -5.487 8.430 1.247
66 HB2 LYS 9 HB2 LYS 9 -4.973 9.456 -0.894
67 HB3 LYS 9 HB1 LYS 9 -3.866 9.813 0.429
68 HG2 LYS 9 HG2 LYS 9 -2.841 7.636 -0.873
69 HG3 LYS 9 HG1 LYS 9 -3.247 8.775 -2.145
70 HD2 LYS 9 HD2 LYS 9 -2.302 10.495 -0.432
71 HD3 LYS 9 HD1 LYS 9 -1.576 8.988 0.192
72 HE2 LYS 9 HE2 LYS 9 -0.756 8.457 -1.852
73 HE3 LYS 9 HE1 LYS 9 -1.403 9.936 -2.563
74 HZ1 LYS 9 HZ1 LYS 9 1.055 10.315 -1.797
75 HZ2 LYS 9 HZ2 LYS 9 0.475 9.941 -0.251
76 HZ3 LYS 9 HZ3 LYS 9 -0.077 11.306 -1.007
77 H PHE 10 HN PHE 10 -4.462 5.594 0.708
78 HA PHE 10 HA PHE 10 -5.845 4.970 -1.713
79 HB2 PHE 10 HB2 PHE 10 -3.906 3.667 -0.611
80 HB3 PHE 10 HB1 PHE 10 -5.208 2.967 0.364
81 HD1 PHE 10 HD1 PHE 10 -6.804 1.441 -0.583
82 HD2 PHE 10 HD2 PHE 10 -3.881 3.431 -2.834
83 HE1 PHE 10 HE1 PHE 10 -7.329 -0.058 -2.461
84 HE2 PHE 10 HE2 PHE 10 -4.358 1.910 -4.814
85 HZ PHE 10 HZ PHE 10 -6.112 0.173 -4.579
86 H LYS 11 HN LYS 11 -7.862 4.842 -1.839
87 HA LYS 11 HA LYS 11 -9.458 3.884 0.447
88 HB2 LYS 11 HB2 LYS 11 -10.901 5.817 -1.278
89 HB3 LYS 11 HB1 LYS 11 -10.987 5.607 0.447
90 HG2 LYS 11 HG2 LYS 11 -8.962 7.251 -1.088
91 HG3 LYS 11 HG1 LYS 11 -10.300 7.860 -0.137
92 HD2 LYS 11 HD2 LYS 11 -7.864 6.407 0.911
93 HD3 LYS 11 HD1 LYS 11 -8.148 8.135 0.996
94 HE2 LYS 11 HE2 LYS 11 -10.082 7.709 2.455
95 HE3 LYS 11 HE1 LYS 11 -9.732 5.978 2.381
96 HZ1 LYS 11 HZ1 LYS 11 -8.738 6.919 4.376
97 HZ2 LYS 11 HZ2 LYS 11 -7.930 8.083 3.448
98 HZ3 LYS 11 HZ3 LYS 11 -7.497 6.487 3.298
99 H GLY 12 HN GLY 12 -9.874 1.856 -0.447
100 HA2 GLY 12 HA2 GLY 12 -11.937 1.340 -1.994
101 HA3 GLY 12 HA1 GLY 12 -10.732 1.752 -3.206
102 H TYR 13 HN TYR 13 -11.205 -0.440 -3.868
103 HA TYR 13 HA TYR 13 -10.208 -2.598 -2.221
104 HB2 TYR 13 HB2 TYR 13 -11.913 -2.350 -4.584
105 HB3 TYR 13 HB1 TYR 13 -10.811 -3.719 -4.630
106 HD1 TYR 13 HD1 TYR 13 -13.645 -2.199 -2.807
107 HD2 TYR 13 HD2 TYR 13 -11.083 -5.556 -3.203
108 HE1 TYR 13 HE1 TYR 13 -15.158 -3.523 -1.375
109 HE2 TYR 13 HE2 TYR 13 -12.536 -6.879 -1.800
110 HH TYR 13 HH TYR 13 -15.694 -5.875 -0.929
111 H CYS 14 HN CYS 14 -8.138 -3.119 -2.245
112 HA CYS 14 HA CYS 14 -6.483 -2.405 -4.529
113 HB2 CYS 14 HB2 CYS 14 -5.791 -2.261 -2.025
114 HB3 CYS 14 HB1 CYS 14 -5.625 -4.011 -2.143
115 H VAL 15 HN VAL 15 -7.945 -3.870 -5.716
116 HA VAL 15 HA VAL 15 -7.519 -6.644 -5.643
117 HB VAL 15 HB VAL 15 -8.426 -6.713 -7.989
118 HG11 VAL 15 HG11 VAL 15 -10.680 -5.942 -7.374
119 HG12 VAL 15 HG12 VAL 15 -9.996 -5.104 -5.980
120 HG13 VAL 15 HG13 VAL 15 -9.916 -6.863 -6.080
121 HG21 VAL 15 HG21 VAL 15 -9.349 -4.646 -8.956
122 HG22 VAL 15 HG22 VAL 15 -7.596 -4.546 -8.791
123 HG23 VAL 15 HG23 VAL 15 -8.638 -3.714 -7.638
124 H ASN 16 HN ASN 16 -5.831 -4.140 -7.520
125 HA ASN 16 HA ASN 16 -3.900 -6.206 -8.313
126 HB2 ASN 16 HB2 ASN 16 -5.130 -5.328 -10.255
127 HB3 ASN 16 HB1 ASN 16 -4.741 -3.684 -9.781
128 HD21 ASN 16 HD21 ASN 16 -3.771 -3.291 -11.769
129 HD22 ASN 16 HD22 ASN 16 -2.213 -3.947 -12.164
130 H ASN 17 HN ASN 17 -1.737 -5.563 -8.375
131 HA ASN 17 HA ASN 17 -1.063 -4.001 -6.084
132 HB2 ASN 17 HB2 ASN 17 0.657 -5.441 -8.096
133 HB3 ASN 17 HB1 ASN 17 1.318 -4.543 -6.735
134 HD21 ASN 17 HD21 ASN 17 1.372 -7.444 -7.415
135 HD22 ASN 17 HD22 ASN 17 0.708 -8.213 -6.017
136 H THR 18 HN THR 18 -1.024 -3.413 -9.532
137 HA THR 18 HA THR 18 0.779 -1.303 -9.669
138 HB THR 18 HB THR 18 -1.731 -1.610 -11.339
139 HG1 THR 18 HG1 THR 18 0.422 -2.724 -12.461
140 HG21 THR 18 HG21 THR 18 -0.324 -0.633 -13.110
141 HG22 THR 18 HG22 THR 18 1.020 -0.504 -11.976
142 HG23 THR 18 HG23 THR 18 -0.435 0.461 -11.730
143 H ASN 19 HN ASN 19 -2.769 -1.163 -8.747
144 HA ASN 19 HA ASN 19 -2.883 1.662 -8.830
145 HB2 ASN 19 HB2 ASN 19 -4.930 1.250 -7.273
146 HB3 ASN 19 HB1 ASN 19 -5.081 0.708 -8.942
147 HD21 ASN 19 HD21 ASN 19 -4.746 -0.201 -5.619
148 HD22 ASN 19 HD22 ASN 19 -5.109 -1.875 -5.876
149 H CYS 20 HN CYS 20 -2.330 -0.725 -6.355
150 HA CYS 20 HA CYS 20 -2.194 0.910 -4.072
151 HB2 CYS 20 HB2 CYS 20 -2.058 -1.673 -4.363
152 HB3 CYS 20 HB1 CYS 20 -0.398 -1.382 -4.655
153 H LYS 21 HN LYS 21 0.043 -0.237 -6.420
154 HA LYS 21 HA LYS 21 2.316 0.435 -5.412
155 HB2 LYS 21 HB2 LYS 21 1.473 -0.651 -7.724
156 HB3 LYS 21 HB1 LYS 21 2.035 0.924 -8.273
157 HG2 LYS 21 HG2 LYS 21 4.226 0.497 -7.648
158 HG3 LYS 21 HG1 LYS 21 3.752 -0.989 -6.798
159 HD2 LYS 21 HD2 LYS 21 3.037 -2.026 -8.810
160 HD3 LYS 21 HD1 LYS 21 3.223 -0.529 -9.719
161 HE2 LYS 21 HE2 LYS 21 4.993 -2.003 -10.214
162 HE3 LYS 21 HE1 LYS 21 5.558 -0.584 -9.308
163 HZ1 LYS 21 HZ1 LYS 21 6.617 -2.655 -8.507
164 HZ2 LYS 21 HZ2 LYS 21 5.108 -3.311 -8.166
165 HZ3 LYS 21 HZ3 LYS 21 5.665 -1.996 -7.282
166 H ASN 22 HN ASN 22 0.302 2.179 -7.768
167 HA ASN 22 HA ASN 22 1.847 4.497 -8.075
168 HB2 ASN 22 HB2 ASN 22 -1.105 4.083 -8.546
169 HB3 ASN 22 HB1 ASN 22 -0.237 5.545 -8.991
170 HD21 ASN 22 HD21 ASN 22 -1.625 3.702 -10.723
171 HD22 ASN 22 HD22 ASN 22 -0.451 3.113 -11.846
172 H VAL 23 HN VAL 23 -0.899 3.823 -5.962
173 HA VAL 23 HA VAL 23 -1.030 6.420 -4.917
174 HB VAL 23 HB VAL 23 -1.881 3.818 -3.617
175 HG11 VAL 23 HG11 VAL 23 -2.621 6.666 -2.951
176 HG12 VAL 23 HG12 VAL 23 -1.642 5.593 -1.955
177 HG13 VAL 23 HG13 VAL 23 -3.350 5.246 -2.211
178 HG21 VAL 23 HG21 VAL 23 -4.160 4.575 -4.369
179 HG22 VAL 23 HG22 VAL 23 -3.071 4.080 -5.659
180 HG23 VAL 23 HG23 VAL 23 -3.354 5.806 -5.344
181 H CYS 24 HN CYS 24 0.698 3.551 -3.776
182 HA CYS 24 HA CYS 24 1.867 4.795 -1.546
183 HB2 CYS 24 HB2 CYS 24 2.595 2.351 -3.119
184 HB3 CYS 24 HB1 CYS 24 3.491 2.804 -1.683
185 H ARG 25 HN ARG 25 2.875 4.548 -4.879
186 HA ARG 25 HA ARG 25 5.436 5.619 -4.455
187 HB2 ARG 25 HB2 ARG 25 3.723 5.515 -6.936
188 HB3 ARG 25 HB1 ARG 25 5.399 6.064 -6.939
189 HG2 ARG 25 HG2 ARG 25 6.223 3.948 -6.355
190 HG3 ARG 25 HG1 ARG 25 4.641 3.389 -5.820
191 HD2 ARG 25 HD2 ARG 25 5.058 2.329 -7.877
192 HD3 ARG 25 HD1 ARG 25 3.881 3.618 -8.167
193 HE ARG 25 HE ARG 25 6.691 4.052 -8.612
194 HH11 ARG 25 HH11 ARG 25 3.400 3.860 -10.020
195 HH12 ARG 25 HH12 ARG 25 3.837 4.439 -11.524
196 HH21 ARG 25 HH21 ARG 25 7.303 4.868 -10.779
197 HH22 ARG 25 HH22 ARG 25 6.126 5.023 -11.996
198 H THR 26 HN THR 26 2.288 6.978 -4.838
199 HA THR 26 HA THR 26 3.186 9.705 -5.067
200 HB THR 26 HB THR 26 0.407 8.679 -4.369
201 HG1 THR 26 HG1 THR 26 1.227 7.847 -6.411
202 HG21 THR 26 HG21 THR 26 -0.358 10.813 -5.322
203 HG22 THR 26 HG22 THR 26 1.314 11.283 -5.623
204 HG23 THR 26 HG23 THR 26 0.739 11.087 -3.968
205 H GLU 27 HN GLU 27 2.194 7.508 -2.473
206 HA GLU 27 HA GLU 27 2.195 9.369 -0.341
207 HB2 GLU 27 HB2 GLU 27 2.736 6.395 -0.399
208 HB3 GLU 27 HB1 GLU 27 2.703 7.316 1.102
209 HG2 GLU 27 HG2 GLU 27 0.406 7.294 -0.803
210 HG3 GLU 27 HG1 GLU 27 0.492 6.054 0.396
211 H GLY 28 HN GLY 28 4.742 7.325 -1.633
212 HA2 GLY 28 HA2 GLY 28 6.918 8.698 -1.801
213 HA3 GLY 28 HA1 GLY 28 6.718 8.839 -0.054
214 H PHE 29 HN PHE 29 6.039 6.074 -2.109
215 HA PHE 29 HA PHE 29 8.111 4.567 -0.703
216 HB2 PHE 29 HB2 PHE 29 5.301 3.741 -1.394
217 HB3 PHE 29 HB1 PHE 29 6.510 2.606 -0.833
218 HD1 PHE 29 HD1 PHE 29 4.326 5.351 0.033
219 HD2 PHE 29 HD2 PHE 29 7.168 2.580 1.487
220 HE1 PHE 29 HE1 PHE 29 3.611 5.878 2.295
221 HE2 PHE 29 HE2 PHE 29 6.512 3.069 3.785
222 HZ PHE 29 HZ PHE 29 4.709 4.742 4.222
223 HA PRO 30 HA PRO 30 9.467 3.435 -4.758
224 HB2 PRO 30 HB2 PRO 30 10.192 0.804 -4.201
225 HB3 PRO 30 HB1 PRO 30 11.241 2.206 -3.947
226 HG2 PRO 30 HG2 PRO 30 9.646 0.686 -1.977
227 HG3 PRO 30 HG1 PRO 30 11.193 1.526 -1.776
228 HD2 PRO 30 HD2 PRO 30 8.877 2.503 -0.839
229 HD3 PRO 30 HD1 PRO 30 10.201 3.546 -1.388
230 H THR 31 HN THR 31 7.222 1.267 -3.002
231 HA THR 31 HA THR 31 5.804 0.814 -5.406
232 HB THR 31 HB THR 31 7.568 -0.784 -5.791
233 HG1 THR 31 HG1 THR 31 5.728 -2.599 -4.853
234 HG21 THR 31 HG21 THR 31 6.996 -1.819 -3.011
235 HG22 THR 31 HG22 THR 31 8.475 -1.050 -3.577
236 HG23 THR 31 HG23 THR 31 8.027 -2.650 -4.178
237 H GLY 32 HN GLY 32 4.008 -0.850 -4.902
238 HA2 GLY 32 HA2 GLY 32 3.226 -0.907 -2.163
239 HA3 GLY 32 HA1 GLY 32 2.171 -0.022 -3.284
240 H SER 33 HN SER 33 1.535 -2.382 -1.928
241 HA SER 33 HA SER 33 0.725 -4.018 -4.106
242 HB2 SER 33 HB2 SER 33 2.815 -4.842 -2.176
243 HB3 SER 33 HB1 SER 33 1.819 -6.103 -2.935
244 HG SER 33 HG SER 33 2.851 -4.156 -4.561
245 H CYS 34 HN CYS 34 -0.721 -5.795 -3.283
246 HA CYS 34 HA CYS 34 -2.418 -4.501 -1.358
247 HB2 CYS 34 HB2 CYS 34 -2.981 -6.798 -3.202
248 HB3 CYS 34 HB1 CYS 34 -4.161 -5.873 -2.279
249 H ASP 35 HN ASP 35 -3.558 -5.705 0.214
250 HA ASP 35 HA ASP 35 -2.464 -8.238 1.124
251 HB2 ASP 35 HB2 ASP 35 -1.099 -6.528 2.066
252 HB3 ASP 35 HB1 ASP 35 -2.512 -5.623 2.563
253 H PHE 36 HN PHE 36 -3.951 -9.239 2.625
254 HA PHE 36 HA PHE 36 -6.581 -7.992 2.670
255 HB2 PHE 36 HB2 PHE 36 -6.418 -10.063 1.191
256 HB3 PHE 36 HB1 PHE 36 -6.009 -10.975 2.634
257 HD1 PHE 36 HD1 PHE 36 -7.983 -9.808 4.591
258 HD2 PHE 36 HD2 PHE 36 -8.439 -10.947 0.522
259 HE1 PHE 36 HE1 PHE 36 -10.349 -10.232 5.007
260 HE2 PHE 36 HE2 PHE 36 -10.840 -11.372 0.914
261 HZ PHE 36 HZ PHE 36 -11.802 -11.027 3.158
262 H HIS 37 HN HIS 37 -6.679 -7.259 4.621
263 HA HIS 37 HA HIS 37 -6.268 -9.148 6.830
264 HB2 HIS 37 HB2 HIS 37 -4.785 -7.711 8.047
265 HB3 HIS 37 HB1 HIS 37 -4.340 -7.471 6.349
266 HD1 HIS 37 HD1 HIS 37 -5.716 -5.663 9.238
267 HD2 HIS 37 HD2 HIS 37 -4.968 -5.013 5.218
268 HE1 HIS 37 HE1 HIS 37 -5.831 -3.163 8.907
269 HE2 HIS 37 HE2 HIS 37 -4.721 -2.978 6.698
270 H VAL 38 HN VAL 38 -8.367 -7.548 5.187
271 HA VAL 38 HA VAL 38 -10.098 -6.823 7.332
272 HB VAL 38 HB VAL 38 -10.646 -4.588 6.118
273 HG11 VAL 38 HG11 VAL 38 -9.581 -4.547 8.304
274 HG12 VAL 38 HG12 VAL 38 -8.878 -3.299 7.258
275 HG13 VAL 38 HG13 VAL 38 -8.004 -4.794 7.553
276 HG21 VAL 38 HG21 VAL 38 -8.817 -3.544 4.847
277 HG22 VAL 38 HG22 VAL 38 -9.318 -5.057 4.064
278 HG23 VAL 38 HG23 VAL 38 -7.861 -5.003 5.041
279 H ALA 39 HN ALA 39 -12.278 -6.436 6.474
280 HA ALA 39 HA ALA 39 -12.870 -8.219 4.370
281 HB1 ALA 39 HB1 ALA 39 -15.207 -7.523 4.705
282 HB2 ALA 39 HB2 ALA 39 -14.667 -6.204 5.742
283 HB3 ALA 39 HB3 ALA 39 -14.428 -7.877 6.247
284 H GLY 40 HN GLY 40 -11.681 -7.438 2.766
285 HA2 GLY 40 HA2 GLY 40 -12.692 -6.198 0.670
286 HA3 GLY 40 HA1 GLY 40 -12.096 -4.843 1.642
287 H ARG 41 HN ARG 41 -10.364 -4.317 0.338
288 HA ARG 41 HA ARG 41 -8.142 -6.172 0.540
289 HB2 ARG 41 HB2 ARG 41 -9.106 -4.977 -2.062
290 HB3 ARG 41 HB1 ARG 41 -7.468 -5.625 -1.789
291 HG2 ARG 41 HG2 ARG 41 -8.203 -7.631 -1.395
292 HG3 ARG 41 HG1 ARG 41 -9.954 -7.282 -1.307
293 HD2 ARG 41 HD2 ARG 41 -9.650 -8.355 -3.376
294 HD3 ARG 41 HD1 ARG 41 -9.466 -6.668 -3.838
295 HE ARG 41 HE ARG 41 -7.090 -6.963 -3.782
296 HH11 ARG 41 HH11 ARG 41 -8.944 -9.988 -3.715
297 HH12 ARG 41 HH12 ARG 41 -7.786 -10.909 -4.546
298 HH21 ARG 41 HH21 ARG 41 -5.491 -8.226 -4.992
299 HH22 ARG 41 HH22 ARG 41 -5.739 -9.868 -5.298
300 H LYS 42 HN LYS 42 -6.435 -5.154 1.364
301 HA LYS 42 HA LYS 42 -6.632 -2.267 1.407
302 HB2 LYS 42 HB2 LYS 42 -6.851 -3.305 3.594
303 HB3 LYS 42 HB1 LYS 42 -5.393 -4.226 3.371
304 HG2 LYS 42 HG2 LYS 42 -5.135 -2.305 4.892
305 HG3 LYS 42 HG1 LYS 42 -4.044 -2.254 3.516
306 HD2 LYS 42 HD2 LYS 42 -5.412 -0.568 2.448
307 HD3 LYS 42 HD1 LYS 42 -6.623 -0.699 3.739
308 HE2 LYS 42 HE2 LYS 42 -5.208 0.174 5.312
309 HE3 LYS 42 HE1 LYS 42 -3.767 -0.033 4.320
310 HZ1 LYS 42 HZ1 LYS 42 -5.968 1.943 3.742
311 HZ2 LYS 42 HZ2 LYS 42 -4.536 1.742 2.842
312 HZ3 LYS 42 HZ3 LYS 42 -4.450 2.345 4.364
313 H CYS 43 HN CYS 43 -5.041 -1.090 0.706
314 HA CYS 43 HA CYS 43 -2.863 -2.289 -0.754
315 HB2 CYS 43 HB2 CYS 43 -4.016 -0.509 -1.810
316 HB3 CYS 43 HB1 CYS 43 -3.927 0.493 -0.376
317 H TYR 44 HN TYR 44 -0.763 -2.329 -0.084
318 HA TYR 44 HA TYR 44 -0.035 -0.712 2.207
319 HB2 TYR 44 HB2 TYR 44 0.490 -3.596 1.696
320 HB3 TYR 44 HB1 TYR 44 1.590 -2.618 2.657
321 HD1 TYR 44 HD1 TYR 44 1.161 -2.194 4.888
322 HD2 TYR 44 HD2 TYR 44 -1.883 -3.767 2.426
323 HE1 TYR 44 HE1 TYR 44 -0.179 -2.641 6.877
324 HE2 TYR 44 HE2 TYR 44 -3.257 -4.223 4.360
325 HH TYR 44 HH TYR 44 -2.592 -4.700 6.859
326 H CYS 45 HN CYS 45 1.970 -0.010 2.179
327 HA CYS 45 HA CYS 45 3.143 0.125 -0.443
328 HB2 CYS 45 HB2 CYS 45 3.710 1.764 2.029
329 HB3 CYS 45 HB1 CYS 45 4.192 2.128 0.408
330 H TYR 46 HN TYR 46 5.192 -0.539 -0.797
331 HA TYR 46 HA TYR 46 6.426 -1.988 1.407
332 HB2 TYR 46 HB2 TYR 46 6.269 -2.627 -1.493
333 HB3 TYR 46 HB1 TYR 46 7.535 -3.328 -0.489
334 HD1 TYR 46 HD1 TYR 46 7.112 -5.321 0.575
335 HD2 TYR 46 HD2 TYR 46 3.785 -2.976 -0.660
336 HE1 TYR 46 HE1 TYR 46 5.624 -7.111 1.239
337 HE2 TYR 46 HE2 TYR 46 2.278 -4.712 0.005
338 HH TYR 46 HH TYR 46 2.355 -7.209 0.296
339 H LYS 47 HN LYS 47 8.418 -1.693 1.874
340 HA LYS 47 HA LYS 47 10.111 -0.131 0.142
341 HB2 LYS 47 HB2 LYS 47 10.723 1.470 1.948
342 HB3 LYS 47 HB1 LYS 47 9.071 1.647 1.388
343 HG2 LYS 47 HG2 LYS 47 8.258 0.492 3.376
344 HG3 LYS 47 HG1 LYS 47 9.905 0.220 3.924
345 HD2 LYS 47 HD2 LYS 47 10.239 2.660 4.031
346 HD3 LYS 47 HD1 LYS 47 8.550 2.892 3.580
347 HE2 LYS 47 HE2 LYS 47 8.743 3.075 5.977
348 HE3 LYS 47 HE1 LYS 47 7.898 1.576 5.587
349 HZ1 LYS 47 HZ1 LYS 47 9.996 0.362 5.939
350 HZ2 LYS 47 HZ2 LYS 47 9.553 1.219 7.317
351 HZ3 LYS 47 HZ3 LYS 47 10.773 1.808 6.315
352 HA PRO 48 HA PRO 48 13.021 -2.967 1.839
353 HB2 PRO 48 HB2 PRO 48 15.323 -1.743 1.140
354 HB3 PRO 48 HB1 PRO 48 14.276 -2.516 -0.069
355 HG2 PRO 48 HG2 PRO 48 14.556 0.361 0.591
356 HG3 PRO 48 HG1 PRO 48 14.355 -0.423 -0.989
357 HD2 PRO 48 HD2 PRO 48 12.300 0.780 0.336
358 HD3 PRO 48 HD1 PRO 48 12.094 -0.574 -0.790
359 H CYS 49 HN CYS 49 13.242 -3.159 3.822
360 HA CYS 49 HA CYS 49 14.718 -1.183 5.437
361 HB2 CYS 49 HB2 CYS 49 12.767 -3.381 6.177
362 HB3 CYS 49 HB1 CYS 49 13.678 -2.435 7.372
363 HA PRO 50 HA PRO 50 17.990 -4.197 5.511
364 HB2 PRO 50 HB2 PRO 50 18.097 -4.134 8.475
365 HB3 PRO 50 HB1 PRO 50 19.356 -3.674 7.309
366 HG2 PRO 50 HG2 PRO 50 18.107 -1.824 8.723
367 HG3 PRO 50 HG1 PRO 50 18.543 -1.551 7.023
368 HD2 PRO 50 HD2 PRO 50 15.880 -2.240 8.183
369 HD3 PRO 50 HD1 PRO 50 16.289 -1.077 6.905
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 15.147 -6.692 3.659
2 H2 ARG 1 HT2 ARG 1 15.546 -6.610 5.353
3 H3 ARG 1 HT3 ARG 1 14.990 -5.318 4.583
4 HA ARG 1 HA ARG 1 13.229 -7.627 4.765
5 HB2 ARG 1 HB2 ARG 1 13.628 -5.323 6.655
6 HB3 ARG 1 HB1 ARG 1 12.106 -6.189 6.553
7 HG2 ARG 1 HG2 ARG 1 13.136 -8.209 7.307
8 HG3 ARG 1 HG1 ARG 1 14.742 -7.479 7.203
9 HD2 ARG 1 HD2 ARG 1 14.212 -5.918 8.933
10 HD3 ARG 1 HD1 ARG 1 12.543 -6.444 8.975
11 HE ARG 1 HE ARG 1 13.208 -8.510 9.924
12 HH11 ARG 1 HH11 ARG 1 15.924 -6.234 9.699
13 HH12 ARG 1 HH12 ARG 1 16.797 -6.872 10.986
14 HH21 ARG 1 HH21 ARG 1 14.430 -9.454 11.741
15 HH22 ARG 1 HH22 ARG 1 15.926 -8.770 12.184
16 H MET 2 HN MET 2 11.087 -7.173 4.326
17 HA MET 2 HA MET 2 10.652 -4.773 2.697
18 HB2 MET 2 HB2 MET 2 9.268 -7.452 2.765
19 HB3 MET 2 HB1 MET 2 8.656 -6.058 1.891
20 HG2 MET 2 HG2 MET 2 10.635 -6.015 0.522
21 HG3 MET 2 HG1 MET 2 11.303 -7.371 1.424
22 HE1 MET 2 HE1 MET 2 8.776 -10.247 0.357
23 HE2 MET 2 HE2 MET 2 8.594 -9.195 1.754
24 HE3 MET 2 HE3 MET 2 10.181 -9.850 1.345
25 H CYS 3 HN CYS 3 9.943 -3.312 3.857
26 HA CYS 3 HA CYS 3 8.292 -3.829 6.162
27 HB2 CYS 3 HB2 CYS 3 9.656 -1.508 4.980
28 HB3 CYS 3 HB1 CYS 3 8.261 -1.150 6.005
29 H LYS 4 HN LYS 4 6.248 -4.121 5.972
30 HA LYS 4 HA LYS 4 4.845 -3.098 3.645
31 HB2 LYS 4 HB2 LYS 4 4.755 -5.544 4.435
32 HB3 LYS 4 HB1 LYS 4 3.824 -4.955 5.803
33 HG2 LYS 4 HG2 LYS 4 2.077 -4.178 4.333
34 HG3 LYS 4 HG1 LYS 4 3.057 -4.586 2.931
35 HD2 LYS 4 HD2 LYS 4 1.450 -6.290 3.172
36 HD3 LYS 4 HD1 LYS 4 3.007 -6.941 3.639
37 HE2 LYS 4 HE2 LYS 4 2.440 -6.680 6.020
38 HE3 LYS 4 HE1 LYS 4 0.875 -5.999 5.575
39 HZ1 LYS 4 HZ1 LYS 4 0.309 -8.125 4.512
40 HZ2 LYS 4 HZ2 LYS 4 0.588 -8.329 6.118
41 HZ3 LYS 4 HZ3 LYS 4 1.770 -8.789 4.980
42 H THR 5 HN THR 5 4.077 -1.140 3.944
43 HA THR 5 HA THR 5 3.241 -0.225 6.602
44 HB THR 5 HB THR 5 4.346 1.163 4.184
45 HG1 THR 5 HG1 THR 5 5.403 -0.022 6.272
46 HG21 THR 5 HG21 THR 5 2.771 2.633 5.251
47 HG22 THR 5 HG22 THR 5 4.410 3.204 5.533
48 HG23 THR 5 HG23 THR 5 3.524 2.380 6.837
49 HA PRO 6 HA PRO 6 -0.836 -0.028 4.614
50 HB2 PRO 6 HB2 PRO 6 -2.102 1.320 6.619
51 HB3 PRO 6 HB1 PRO 6 -1.839 -0.436 6.557
52 HG2 PRO 6 HG2 PRO 6 -0.484 1.590 8.215
53 HG3 PRO 6 HG1 PRO 6 -0.724 -0.139 8.518
54 HD2 PRO 6 HD2 PRO 6 1.660 1.044 7.645
55 HD3 PRO 6 HD1 PRO 6 1.269 -0.683 7.592
56 H SER 7 HN SER 7 -0.982 1.248 2.999
57 HA SER 7 HA SER 7 -0.258 3.846 2.569
58 HB2 SER 7 HB2 SER 7 -2.738 2.600 1.493
59 HB3 SER 7 HB1 SER 7 -1.573 3.584 0.616
60 HG SER 7 HG SER 7 -0.233 1.927 0.494
61 H GLY 8 HN GLY 8 -1.258 5.815 2.849
62 HA2 GLY 8 HA2 GLY 8 -3.557 5.803 4.679
63 HA3 GLY 8 HA1 GLY 8 -2.363 7.081 4.551
64 H LYS 9 HN LYS 9 -2.753 6.749 1.403
65 HA LYS 9 HA LYS 9 -5.190 8.460 1.387
66 HB2 LYS 9 HB2 LYS 9 -4.280 9.727 -0.258
67 HB3 LYS 9 HB1 LYS 9 -3.123 9.647 1.076
68 HG2 LYS 9 HG2 LYS 9 -1.814 8.112 -0.090
69 HG3 LYS 9 HG1 LYS 9 -3.029 7.983 -1.368
70 HD2 LYS 9 HD2 LYS 9 -2.904 10.354 -1.513
71 HD3 LYS 9 HD1 LYS 9 -1.382 10.282 -0.591
72 HE2 LYS 9 HE2 LYS 9 -0.660 8.461 -2.163
73 HE3 LYS 9 HE1 LYS 9 -2.059 8.885 -3.136
74 HZ1 LYS 9 HZ1 LYS 9 -1.105 11.092 -3.476
75 HZ2 LYS 9 HZ2 LYS 9 -0.139 9.805 -4.023
76 HZ3 LYS 9 HZ3 LYS 9 0.289 10.607 -2.593
77 H PHE 10 HN PHE 10 -4.507 5.589 0.842
78 HA PHE 10 HA PHE 10 -4.907 5.074 -1.869
79 HB2 PHE 10 HB2 PHE 10 -3.957 3.467 -0.277
80 HB3 PHE 10 HB1 PHE 10 -5.555 3.261 0.429
81 HD1 PHE 10 HD1 PHE 10 -6.888 1.533 -0.389
82 HD2 PHE 10 HD2 PHE 10 -3.867 3.253 -2.755
83 HE1 PHE 10 HE1 PHE 10 -7.381 -0.113 -2.149
84 HE2 PHE 10 HE2 PHE 10 -4.322 1.599 -4.576
85 HZ PHE 10 HZ PHE 10 -6.095 -0.086 -4.248
86 H LYS 11 HN LYS 11 -6.475 4.698 -3.064
87 HA LYS 11 HA LYS 11 -9.166 5.056 -2.058
88 HB2 LYS 11 HB2 LYS 11 -9.460 6.229 -4.479
89 HB3 LYS 11 HB1 LYS 11 -9.145 7.102 -2.998
90 HG2 LYS 11 HG2 LYS 11 -7.746 7.958 -4.792
91 HG3 LYS 11 HG1 LYS 11 -6.751 7.211 -3.556
92 HD2 LYS 11 HD2 LYS 11 -5.880 6.654 -5.743
93 HD3 LYS 11 HD1 LYS 11 -6.544 5.201 -5.010
94 HE2 LYS 11 HE2 LYS 11 -8.546 5.400 -6.366
95 HE3 LYS 11 HE1 LYS 11 -7.965 6.924 -7.039
96 HZ1 LYS 11 HZ1 LYS 11 -6.143 5.768 -8.064
97 HZ2 LYS 11 HZ2 LYS 11 -7.574 4.992 -8.524
98 HZ3 LYS 11 HZ3 LYS 11 -6.571 4.308 -7.358
99 H GLY 12 HN GLY 12 -10.444 3.473 -2.494
100 HA2 GLY 12 HA2 GLY 12 -11.700 2.216 -4.083
101 HA3 GLY 12 HA1 GLY 12 -10.265 2.135 -5.095
102 H TYR 13 HN TYR 13 -11.219 -0.182 -4.922
103 HA TYR 13 HA TYR 13 -10.313 -1.626 -2.604
104 HB2 TYR 13 HB2 TYR 13 -12.058 -2.116 -4.833
105 HB3 TYR 13 HB1 TYR 13 -10.871 -3.408 -4.699
106 HD1 TYR 13 HD1 TYR 13 -13.652 -1.701 -3.046
107 HD2 TYR 13 HD2 TYR 13 -10.855 -4.888 -2.819
108 HE1 TYR 13 HE1 TYR 13 -14.952 -2.686 -1.232
109 HE2 TYR 13 HE2 TYR 13 -12.126 -5.904 -1.007
110 HH TYR 13 HH TYR 13 -13.835 -5.119 0.809
111 H CYS 14 HN CYS 14 -8.488 -2.861 -2.491
112 HA CYS 14 HA CYS 14 -6.576 -2.324 -4.580
113 HB2 CYS 14 HB2 CYS 14 -6.146 -2.215 -1.982
114 HB3 CYS 14 HB1 CYS 14 -5.902 -3.946 -2.135
115 H VAL 15 HN VAL 15 -8.138 -3.665 -5.860
116 HA VAL 15 HA VAL 15 -7.513 -6.485 -5.747
117 HB VAL 15 HB VAL 15 -8.962 -6.694 -7.805
118 HG11 VAL 15 HG11 VAL 15 -11.086 -6.198 -6.666
119 HG12 VAL 15 HG12 VAL 15 -10.200 -5.270 -5.454
120 HG13 VAL 15 HG13 VAL 15 -9.931 -7.005 -5.605
121 HG21 VAL 15 HG21 VAL 15 -10.322 -4.765 -8.507
122 HG22 VAL 15 HG22 VAL 15 -8.603 -4.442 -8.735
123 HG23 VAL 15 HG23 VAL 15 -9.456 -3.742 -7.362
124 H ASN 16 HN ASN 16 -6.602 -3.642 -7.418
125 HA ASN 16 HA ASN 16 -4.746 -5.142 -9.113
126 HB2 ASN 16 HB2 ASN 16 -6.182 -3.743 -10.460
127 HB3 ASN 16 HB1 ASN 16 -5.893 -2.354 -9.424
128 HD21 ASN 16 HD21 ASN 16 -5.237 -1.156 -11.239
129 HD22 ASN 16 HD22 ASN 16 -3.702 -1.390 -11.988
130 H ASN 17 HN ASN 17 -2.833 -5.248 -8.348
131 HA ASN 17 HA ASN 17 -1.899 -3.830 -6.111
132 HB2 ASN 17 HB2 ASN 17 -0.328 -5.434 -8.132
133 HB3 ASN 17 HB1 ASN 17 0.356 -4.778 -6.654
134 HD21 ASN 17 HD21 ASN 17 -1.540 -7.284 -8.062
135 HD22 ASN 17 HD22 ASN 17 -1.774 -8.190 -6.615
136 H THR 18 HN THR 18 -1.628 -3.153 -9.501
137 HA THR 18 HA THR 18 0.481 -1.303 -9.397
138 HB THR 18 HB THR 18 -1.834 -1.377 -11.349
139 HG1 THR 18 HG1 THR 18 -1.046 -3.253 -11.968
140 HG21 THR 18 HG21 THR 18 1.080 -0.590 -11.662
141 HG22 THR 18 HG22 THR 18 -0.273 0.539 -11.588
142 HG23 THR 18 HG23 THR 18 -0.133 -0.583 -12.942
143 H ASN 19 HN ASN 19 -2.961 -1.036 -8.540
144 HA ASN 19 HA ASN 19 -3.189 1.816 -8.743
145 HB2 ASN 19 HB2 ASN 19 -5.205 0.309 -8.743
146 HB3 ASN 19 HB1 ASN 19 -4.803 -0.183 -7.104
147 HD21 ASN 19 HD21 ASN 19 -6.812 0.470 -6.339
148 HD22 ASN 19 HD22 ASN 19 -7.231 2.109 -6.073
149 H CYS 20 HN CYS 20 -2.707 -0.559 -6.203
150 HA CYS 20 HA CYS 20 -2.331 0.996 -3.911
151 HB2 CYS 20 HB2 CYS 20 -2.243 -1.658 -4.281
152 HB3 CYS 20 HB1 CYS 20 -0.601 -1.323 -4.584
153 H LYS 21 HN LYS 21 -0.212 -0.237 -6.334
154 HA LYS 21 HA LYS 21 2.136 0.336 -5.368
155 HB2 LYS 21 HB2 LYS 21 1.184 -0.727 -7.643
156 HB3 LYS 21 HB1 LYS 21 1.846 0.805 -8.218
157 HG2 LYS 21 HG2 LYS 21 4.005 0.241 -7.586
158 HG3 LYS 21 HG1 LYS 21 3.439 -1.200 -6.717
159 HD2 LYS 21 HD2 LYS 21 2.626 -2.186 -8.737
160 HD3 LYS 21 HD1 LYS 21 2.990 -0.726 -9.650
161 HE2 LYS 21 HE2 LYS 21 4.610 -2.401 -10.068
162 HE3 LYS 21 HE1 LYS 21 5.295 -1.014 -9.189
163 HZ1 LYS 21 HZ1 LYS 21 6.095 -3.196 -8.337
164 HZ2 LYS 21 HZ2 LYS 21 4.513 -3.609 -7.926
165 HZ3 LYS 21 HZ3 LYS 21 5.283 -2.330 -7.142
166 H ASN 22 HN ASN 22 0.184 2.188 -7.708
167 HA ASN 22 HA ASN 22 1.941 4.367 -8.017
168 HB2 ASN 22 HB2 ASN 22 -1.008 4.171 -8.593
169 HB3 ASN 22 HB1 ASN 22 -0.010 5.547 -9.044
170 HD21 ASN 22 HD21 ASN 22 -1.461 3.758 -10.777
171 HD22 ASN 22 HD22 ASN 22 -0.304 3.033 -11.832
172 H VAL 23 HN VAL 23 -0.792 3.844 -5.889
173 HA VAL 23 HA VAL 23 -0.781 6.499 -4.848
174 HB VAL 23 HB VAL 23 -1.743 3.942 -3.526
175 HG11 VAL 23 HG11 VAL 23 -3.080 5.428 -2.121
176 HG12 VAL 23 HG12 VAL 23 -2.426 6.818 -2.992
177 HG13 VAL 23 HG13 VAL 23 -1.368 5.836 -1.998
178 HG21 VAL 23 HG21 VAL 23 -2.864 4.290 -5.655
179 HG22 VAL 23 HG22 VAL 23 -3.234 5.958 -5.205
180 HG23 VAL 23 HG23 VAL 23 -3.976 4.622 -4.321
181 H CYS 24 HN CYS 24 0.726 3.507 -3.717
182 HA CYS 24 HA CYS 24 2.028 4.672 -1.538
183 HB2 CYS 24 HB2 CYS 24 2.635 2.237 -3.194
184 HB3 CYS 24 HB1 CYS 24 3.564 2.633 -1.758
185 H ARG 25 HN ARG 25 2.999 4.307 -4.888
186 HA ARG 25 HA ARG 25 5.599 5.298 -4.601
187 HB2 ARG 25 HB2 ARG 25 3.781 5.279 -7.005
188 HB3 ARG 25 HB1 ARG 25 5.488 5.709 -7.072
189 HG2 ARG 25 HG2 ARG 25 6.176 3.542 -6.456
190 HG3 ARG 25 HG1 ARG 25 4.553 3.093 -5.936
191 HD2 ARG 25 HD2 ARG 25 4.876 2.019 -7.988
192 HD3 ARG 25 HD1 ARG 25 3.850 3.430 -8.305
193 HE ARG 25 HE ARG 25 6.682 3.650 -8.636
194 HH11 ARG 25 HH11 ARG 25 3.487 3.469 -10.265
195 HH12 ARG 25 HH12 ARG 25 4.067 3.891 -11.780
196 HH21 ARG 25 HH21 ARG 25 7.478 4.257 -10.808
197 HH22 ARG 25 HH22 ARG 25 6.401 4.355 -12.121
198 H THR 26 HN THR 26 2.511 6.870 -4.950
199 HA THR 26 HA THR 26 3.734 9.458 -5.181
200 HB THR 26 HB THR 26 1.276 10.185 -4.776
201 HG1 THR 26 HG1 THR 26 0.787 7.596 -5.645
202 HG21 THR 26 HG21 THR 26 2.144 8.822 -7.306
203 HG22 THR 26 HG22 THR 26 2.446 10.511 -6.880
204 HG23 THR 26 HG23 THR 26 0.794 9.954 -7.184
205 H GLU 27 HN GLU 27 2.311 7.601 -2.676
206 HA GLU 27 HA GLU 27 2.407 9.602 -0.646
207 HB2 GLU 27 HB2 GLU 27 2.522 6.573 -0.324
208 HB3 GLU 27 HB1 GLU 27 2.530 7.665 1.054
209 HG2 GLU 27 HG2 GLU 27 0.361 8.586 0.239
210 HG3 GLU 27 HG1 GLU 27 0.410 7.340 -1.014
211 H GLY 28 HN GLY 28 4.830 7.321 -1.722
212 HA2 GLY 28 HA2 GLY 28 7.084 8.580 -1.773
213 HA3 GLY 28 HA1 GLY 28 6.812 8.719 -0.038
214 H PHE 29 HN PHE 29 6.152 5.994 -2.172
215 HA PHE 29 HA PHE 29 8.127 4.419 -0.696
216 HB2 PHE 29 HB2 PHE 29 5.329 3.623 -1.476
217 HB3 PHE 29 HB1 PHE 29 6.527 2.522 -0.810
218 HD1 PHE 29 HD1 PHE 29 4.265 5.301 -0.125
219 HD2 PHE 29 HD2 PHE 29 7.064 2.568 1.506
220 HE1 PHE 29 HE1 PHE 29 3.469 5.881 2.101
221 HE2 PHE 29 HE2 PHE 29 6.321 3.103 3.755
222 HZ PHE 29 HZ PHE 29 4.495 4.788 4.092
223 HA PRO 30 HA PRO 30 9.486 3.196 -4.737
224 HB2 PRO 30 HB2 PRO 30 10.133 0.551 -4.130
225 HB3 PRO 30 HB1 PRO 30 11.224 1.924 -3.911
226 HG2 PRO 30 HG2 PRO 30 9.611 0.483 -1.903
227 HG3 PRO 30 HG1 PRO 30 11.165 1.314 -1.723
228 HD2 PRO 30 HD2 PRO 30 8.842 2.327 -0.810
229 HD3 PRO 30 HD1 PRO 30 10.188 3.341 -1.343
230 H THR 31 HN THR 31 7.222 1.077 -2.963
231 HA THR 31 HA THR 31 5.759 0.637 -5.362
232 HB THR 31 HB THR 31 7.479 -1.015 -5.722
233 HG1 THR 31 HG1 THR 31 5.644 -2.798 -4.766
234 HG21 THR 31 HG21 THR 31 6.878 -1.969 -2.924
235 HG22 THR 31 HG22 THR 31 8.379 -1.259 -3.503
236 HG23 THR 31 HG23 THR 31 7.886 -2.861 -4.066
237 H GLY 32 HN GLY 32 3.929 -0.994 -4.834
238 HA2 GLY 32 HA2 GLY 32 3.117 -1.024 -2.108
239 HA3 GLY 32 HA1 GLY 32 2.101 -0.084 -3.219
240 H SER 33 HN SER 33 1.351 -2.445 -1.900
241 HA SER 33 HA SER 33 0.563 -4.050 -4.128
242 HB2 SER 33 HB2 SER 33 2.555 -4.922 -2.113
243 HB3 SER 33 HB1 SER 33 1.584 -6.160 -2.930
244 HG SER 33 HG SER 33 2.696 -4.220 -4.499
245 H CYS 34 HN CYS 34 -0.968 -5.741 -3.461
246 HA CYS 34 HA CYS 34 -2.679 -4.555 -1.438
247 HB2 CYS 34 HB2 CYS 34 -3.280 -6.578 -3.574
248 HB3 CYS 34 HB1 CYS 34 -4.455 -5.756 -2.552
249 H ASP 35 HN ASP 35 -3.104 -5.512 0.404
250 HA ASP 35 HA ASP 35 -2.250 -8.292 0.869
251 HB2 ASP 35 HB2 ASP 35 -0.708 -6.634 1.783
252 HB3 ASP 35 HB1 ASP 35 -2.049 -5.842 2.585
253 H PHE 36 HN PHE 36 -3.363 -9.158 2.901
254 HA PHE 36 HA PHE 36 -6.080 -8.156 3.061
255 HB2 PHE 36 HB2 PHE 36 -6.400 -10.102 1.811
256 HB3 PHE 36 HB1 PHE 36 -5.123 -10.968 2.647
257 HD1 PHE 36 HD1 PHE 36 -8.282 -9.236 3.863
258 HD2 PHE 36 HD2 PHE 36 -5.961 -12.813 3.664
259 HE1 PHE 36 HE1 PHE 36 -9.922 -10.364 5.252
260 HE2 PHE 36 HE2 PHE 36 -7.625 -13.957 5.081
261 HZ PHE 36 HZ PHE 36 -9.608 -12.734 5.878
262 H HIS 37 HN HIS 37 -6.404 -7.402 4.955
263 HA HIS 37 HA HIS 37 -5.844 -9.078 7.270
264 HB2 HIS 37 HB2 HIS 37 -4.547 -7.510 8.481
265 HB3 HIS 37 HB1 HIS 37 -3.986 -7.274 6.825
266 HD1 HIS 37 HD1 HIS 37 -5.617 -5.531 9.617
267 HD2 HIS 37 HD2 HIS 37 -4.869 -4.841 5.600
268 HE1 HIS 37 HE1 HIS 37 -5.988 -3.068 9.256
269 HE2 HIS 37 HE2 HIS 37 -4.972 -2.721 7.021
270 H VAL 38 HN VAL 38 -8.020 -7.681 5.484
271 HA VAL 38 HA VAL 38 -9.845 -7.007 7.562
272 HB VAL 38 HB VAL 38 -10.547 -4.861 6.272
273 HG11 VAL 38 HG11 VAL 38 -9.537 -4.682 8.481
274 HG12 VAL 38 HG12 VAL 38 -8.921 -3.403 7.419
275 HG13 VAL 38 HG13 VAL 38 -7.931 -4.810 7.763
276 HG21 VAL 38 HG21 VAL 38 -9.156 -5.215 4.252
277 HG22 VAL 38 HG22 VAL 38 -7.712 -5.061 5.266
278 HG23 VAL 38 HG23 VAL 38 -8.770 -3.685 5.054
279 H ALA 39 HN ALA 39 -12.038 -6.601 6.510
280 HA ALA 39 HA ALA 39 -12.496 -8.690 4.662
281 HB1 ALA 39 HB1 ALA 39 -14.846 -8.023 4.762
282 HB2 ALA 39 HB2 ALA 39 -14.402 -6.532 5.592
283 HB3 ALA 39 HB3 ALA 39 -14.155 -8.089 6.383
284 H GLY 40 HN GLY 40 -11.163 -8.089 3.040
285 HA2 GLY 40 HA2 GLY 40 -12.017 -7.404 0.699
286 HA3 GLY 40 HA1 GLY 40 -11.875 -5.798 1.421
287 H ARG 41 HN ARG 41 -10.152 -5.006 0.324
288 HA ARG 41 HA ARG 41 -7.634 -6.509 0.518
289 HB2 ARG 41 HB2 ARG 41 -8.536 -4.593 -1.593
290 HB3 ARG 41 HB1 ARG 41 -7.089 -5.595 -1.570
291 HG2 ARG 41 HG2 ARG 41 -9.834 -6.701 -1.512
292 HG3 ARG 41 HG1 ARG 41 -9.058 -6.341 -3.020
293 HD2 ARG 41 HD2 ARG 41 -8.075 -8.248 -0.865
294 HD3 ARG 41 HD1 ARG 41 -8.754 -8.718 -2.424
295 HE ARG 41 HE ARG 41 -6.728 -7.256 -3.224
296 HH11 ARG 41 HH11 ARG 41 -6.749 -9.644 -0.600
297 HH12 ARG 41 HH12 ARG 41 -5.163 -10.200 -0.860
298 HH21 ARG 41 HH21 ARG 41 -4.543 -8.070 -3.641
299 HH22 ARG 41 HH22 ARG 41 -3.846 -9.246 -2.634
300 H LYS 42 HN LYS 42 -6.034 -5.330 1.538
301 HA LYS 42 HA LYS 42 -6.506 -2.457 1.760
302 HB2 LYS 42 HB2 LYS 42 -6.465 -3.573 3.956
303 HB3 LYS 42 HB1 LYS 42 -4.899 -4.260 3.594
304 HG2 LYS 42 HG2 LYS 42 -4.632 -2.355 5.071
305 HG3 LYS 42 HG1 LYS 42 -3.932 -1.978 3.499
306 HD2 LYS 42 HD2 LYS 42 -5.856 -0.680 2.902
307 HD3 LYS 42 HD1 LYS 42 -6.685 -1.108 4.415
308 HE2 LYS 42 HE2 LYS 42 -5.854 1.030 4.799
309 HE3 LYS 42 HE1 LYS 42 -4.666 -0.053 5.526
310 HZ1 LYS 42 HZ1 LYS 42 -4.396 1.260 2.855
311 HZ2 LYS 42 HZ2 LYS 42 -3.245 0.240 3.475
312 HZ3 LYS 42 HZ3 LYS 42 -3.561 1.743 4.210
313 H CYS 43 HN CYS 43 -5.129 -1.219 0.788
314 HA CYS 43 HA CYS 43 -2.890 -2.238 -0.637
315 HB2 CYS 43 HB2 CYS 43 -4.191 -0.355 -1.444
316 HB3 CYS 43 HB1 CYS 43 -3.823 0.556 0.004
317 H TYR 44 HN TYR 44 -0.821 -2.339 0.007
318 HA TYR 44 HA TYR 44 0.006 -0.856 2.354
319 HB2 TYR 44 HB2 TYR 44 0.409 -3.739 1.735
320 HB3 TYR 44 HB1 TYR 44 1.604 -2.841 2.651
321 HD1 TYR 44 HD1 TYR 44 -1.860 -3.989 2.625
322 HD2 TYR 44 HD2 TYR 44 1.269 -2.338 4.920
323 HE1 TYR 44 HE1 TYR 44 -3.087 -4.530 4.673
324 HE2 TYR 44 HE2 TYR 44 0.066 -2.846 6.983
325 HH TYR 44 HH TYR 44 -2.290 -4.981 7.113
326 H CYS 45 HN CYS 45 1.932 -0.076 2.213
327 HA CYS 45 HA CYS 45 3.122 -0.043 -0.403
328 HB2 CYS 45 HB2 CYS 45 3.667 1.667 2.027
329 HB3 CYS 45 HB1 CYS 45 4.212 1.979 0.420
330 H TYR 46 HN TYR 46 5.191 -0.676 -0.723
331 HA TYR 46 HA TYR 46 6.417 -2.043 1.533
332 HB2 TYR 46 HB2 TYR 46 6.339 -2.784 -1.356
333 HB3 TYR 46 HB1 TYR 46 7.578 -3.428 -0.287
334 HD1 TYR 46 HD1 TYR 46 3.839 -3.196 -0.711
335 HD2 TYR 46 HD2 TYR 46 7.141 -5.322 0.942
336 HE1 TYR 46 HE1 TYR 46 2.354 -4.933 -0.045
337 HE2 TYR 46 HE2 TYR 46 5.666 -7.120 1.599
338 HH TYR 46 HH TYR 46 2.490 -7.409 0.431
339 H LYS 47 HN LYS 47 8.369 -1.673 2.035
340 HA LYS 47 HA LYS 47 10.086 -0.180 0.269
341 HB2 LYS 47 HB2 LYS 47 10.622 1.536 1.984
342 HB3 LYS 47 HB1 LYS 47 8.978 1.645 1.387
343 HG2 LYS 47 HG2 LYS 47 8.161 0.585 3.430
344 HG3 LYS 47 HG1 LYS 47 9.809 0.400 4.017
345 HD2 LYS 47 HD2 LYS 47 10.068 2.848 3.974
346 HD3 LYS 47 HD1 LYS 47 8.386 3.002 3.470
347 HE2 LYS 47 HE2 LYS 47 8.505 3.348 5.848
348 HE3 LYS 47 HE1 LYS 47 7.723 1.796 5.544
349 HZ1 LYS 47 HZ1 LYS 47 9.853 0.687 6.028
350 HZ2 LYS 47 HZ2 LYS 47 9.350 1.623 7.332
351 HZ3 LYS 47 HZ3 LYS 47 10.570 2.184 6.313
352 HA PRO 48 HA PRO 48 12.990 -2.873 2.208
353 HB2 PRO 48 HB2 PRO 48 15.290 -1.659 1.492
354 HB3 PRO 48 HB1 PRO 48 14.276 -2.499 0.299
355 HG2 PRO 48 HG2 PRO 48 14.495 0.413 0.834
356 HG3 PRO 48 HG1 PRO 48 14.367 -0.445 -0.716
357 HD2 PRO 48 HD2 PRO 48 12.235 0.770 0.467
358 HD3 PRO 48 HD1 PRO 48 12.103 -0.657 -0.579
359 H CYS 49 HN CYS 49 13.196 -2.960 4.206
360 HA CYS 49 HA CYS 49 14.621 -0.877 5.738
361 HB2 CYS 49 HB2 CYS 49 12.635 -3.007 6.573
362 HB3 CYS 49 HB1 CYS 49 13.506 -1.976 7.720
363 HA PRO 50 HA PRO 50 17.869 -3.902 6.120
364 HB2 PRO 50 HB2 PRO 50 18.318 -3.937 8.869
365 HB3 PRO 50 HB1 PRO 50 19.014 -2.732 7.768
366 HG2 PRO 50 HG2 PRO 50 16.635 -2.505 9.525
367 HG3 PRO 50 HG1 PRO 50 17.874 -1.294 9.135
368 HD2 PRO 50 HD2 PRO 50 15.462 -1.198 8.008
369 HD3 PRO 50 HD1 PRO 50 16.922 -0.768 7.102
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 15.600 -6.345 3.118
2 H2 ARG 1 HT2 ARG 1 16.093 -6.342 4.790
3 H3 ARG 1 HT3 ARG 1 15.380 -5.042 4.151
4 HA ARG 1 HA ARG 1 13.894 -7.565 4.372
5 HB2 ARG 1 HB2 ARG 1 14.734 -6.437 6.530
6 HB3 ARG 1 HB1 ARG 1 13.702 -5.097 6.064
7 HG2 ARG 1 HG2 ARG 1 11.751 -6.603 6.182
8 HG3 ARG 1 HG1 ARG 1 12.820 -7.895 6.743
9 HD2 ARG 1 HD2 ARG 1 12.186 -5.285 8.116
10 HD3 ARG 1 HD1 ARG 1 11.862 -6.921 8.699
11 HE ARG 1 HE ARG 1 14.653 -6.026 8.306
12 HH11 ARG 1 HH11 ARG 1 12.180 -7.106 10.598
13 HH12 ARG 1 HH12 ARG 1 13.295 -7.250 11.880
14 HH21 ARG 1 HH21 ARG 1 16.033 -6.173 9.863
15 HH22 ARG 1 HH22 ARG 1 15.677 -6.696 11.462
16 H MET 2 HN MET 2 11.684 -7.254 3.942
17 HA MET 2 HA MET 2 11.044 -4.825 2.416
18 HB2 MET 2 HB2 MET 2 9.890 -7.616 2.323
19 HB3 MET 2 HB1 MET 2 9.137 -6.230 1.549
20 HG2 MET 2 HG2 MET 2 11.085 -5.919 0.153
21 HG3 MET 2 HG1 MET 2 11.897 -7.249 0.971
22 HE1 MET 2 HE1 MET 2 12.403 -8.344 -1.434
23 HE2 MET 2 HE2 MET 2 11.571 -7.001 -2.217
24 HE3 MET 2 HE3 MET 2 11.152 -8.661 -2.638
25 H CYS 3 HN CYS 3 10.080 -3.458 3.494
26 HA CYS 3 HA CYS 3 8.473 -4.212 5.789
27 HB2 CYS 3 HB2 CYS 3 9.748 -1.751 4.797
28 HB3 CYS 3 HB1 CYS 3 8.341 -1.545 5.854
29 H LYS 4 HN LYS 4 6.400 -4.441 5.625
30 HA LYS 4 HA LYS 4 4.995 -3.340 3.315
31 HB2 LYS 4 HB2 LYS 4 4.948 -5.822 3.879
32 HB3 LYS 4 HB1 LYS 4 4.103 -5.401 5.355
33 HG2 LYS 4 HG2 LYS 4 2.189 -4.640 4.103
34 HG3 LYS 4 HG1 LYS 4 3.088 -4.781 2.602
35 HD2 LYS 4 HD2 LYS 4 1.638 -6.664 2.747
36 HD3 LYS 4 HD1 LYS 4 3.288 -7.203 2.955
37 HE2 LYS 4 HE2 LYS 4 2.044 -8.411 4.564
38 HE3 LYS 4 HE1 LYS 4 2.868 -7.149 5.470
39 HZ1 LYS 4 HZ1 LYS 4 0.727 -5.855 5.340
40 HZ2 LYS 4 HZ2 LYS 4 0.592 -7.329 6.180
41 HZ3 LYS 4 HZ3 LYS 4 0.028 -7.226 4.633
42 H THR 5 HN THR 5 4.185 -1.402 3.749
43 HA THR 5 HA THR 5 3.300 -0.679 6.459
44 HB THR 5 HB THR 5 4.538 0.841 4.195
45 HG1 THR 5 HG1 THR 5 5.453 -0.443 6.311
46 HG21 THR 5 HG21 THR 5 2.941 2.299 5.229
47 HG22 THR 5 HG22 THR 5 4.569 2.812 5.652
48 HG23 THR 5 HG23 THR 5 3.573 1.949 6.851
49 HA PRO 6 HA PRO 6 -0.755 -0.286 4.414
50 HB2 PRO 6 HB2 PRO 6 -2.043 0.992 6.444
51 HB3 PRO 6 HB1 PRO 6 -1.737 -0.759 6.410
52 HG2 PRO 6 HG2 PRO 6 -0.314 1.354 7.930
53 HG3 PRO 6 HG1 PRO 6 -0.693 -0.313 8.399
54 HD2 PRO 6 HD2 PRO 6 1.782 0.488 7.533
55 HD3 PRO 6 HD1 PRO 6 1.165 -1.168 7.373
56 H SER 7 HN SER 7 -1.201 1.111 2.927
57 HA SER 7 HA SER 7 -0.185 3.735 2.788
58 HB2 SER 7 HB2 SER 7 -2.509 2.714 1.225
59 HB3 SER 7 HB1 SER 7 -1.146 3.707 0.682
60 HG SER 7 HG SER 7 0.053 1.950 0.448
61 H GLY 8 HN GLY 8 -1.245 5.753 3.073
62 HA2 GLY 8 HA2 GLY 8 -3.465 5.659 4.895
63 HA3 GLY 8 HA1 GLY 8 -2.475 7.048 4.471
64 H LYS 9 HN LYS 9 -2.789 6.857 1.577
65 HA LYS 9 HA LYS 9 -5.399 8.015 1.700
66 HB2 LYS 9 HB2 LYS 9 -5.006 9.003 -0.495
67 HB3 LYS 9 HB1 LYS 9 -3.909 9.456 0.805
68 HG2 LYS 9 HG2 LYS 9 -2.770 7.312 -0.463
69 HG3 LYS 9 HG1 LYS 9 -3.272 8.382 -1.758
70 HD2 LYS 9 HD2 LYS 9 -2.386 10.199 -0.069
71 HD3 LYS 9 HD1 LYS 9 -1.537 8.743 0.514
72 HE2 LYS 9 HE2 LYS 9 -0.789 8.280 -1.605
73 HE3 LYS 9 HE1 LYS 9 -1.539 9.753 -2.227
74 HZ1 LYS 9 HZ1 LYS 9 -0.153 11.141 -0.747
75 HZ2 LYS 9 HZ2 LYS 9 0.972 10.151 -1.547
76 HZ3 LYS 9 HZ3 LYS 9 0.428 9.773 -0.001
77 H PHE 10 HN PHE 10 -4.393 5.194 1.156
78 HA PHE 10 HA PHE 10 -5.874 4.564 -1.227
79 HB2 PHE 10 HB2 PHE 10 -3.742 3.383 -0.383
80 HB3 PHE 10 HB1 PHE 10 -4.911 2.514 0.633
81 HD1 PHE 10 HD1 PHE 10 -6.527 0.983 -0.308
82 HD2 PHE 10 HD2 PHE 10 -3.854 3.239 -2.606
83 HE1 PHE 10 HE1 PHE 10 -7.102 -0.427 -2.240
84 HE2 PHE 10 HE2 PHE 10 -4.381 1.817 -4.638
85 HZ PHE 10 HZ PHE 10 -6.023 -0.011 -4.417
86 H LYS 11 HN LYS 11 -7.840 4.305 -1.218
87 HA LYS 11 HA LYS 11 -9.222 2.820 0.897
88 HB2 LYS 11 HB2 LYS 11 -10.372 5.163 -0.645
89 HB3 LYS 11 HB1 LYS 11 -11.250 4.152 0.473
90 HG2 LYS 11 HG2 LYS 11 -10.840 6.049 1.669
91 HG3 LYS 11 HG1 LYS 11 -9.565 4.937 2.218
92 HD2 LYS 11 HD2 LYS 11 -8.653 7.158 1.926
93 HD3 LYS 11 HD1 LYS 11 -8.013 6.096 0.675
94 HE2 LYS 11 HE2 LYS 11 -9.659 7.002 -0.922
95 HE3 LYS 11 HE1 LYS 11 -10.283 8.064 0.342
96 HZ1 LYS 11 HZ1 LYS 11 -7.524 8.049 -0.698
97 HZ2 LYS 11 HZ2 LYS 11 -8.133 9.132 0.452
98 HZ3 LYS 11 HZ3 LYS 11 -8.708 9.175 -1.150
99 H GLY 12 HN GLY 12 -11.145 1.697 0.014
100 HA2 GLY 12 HA2 GLY 12 -12.478 1.082 -1.837
101 HA3 GLY 12 HA1 GLY 12 -11.149 1.522 -2.898
102 H TYR 13 HN TYR 13 -10.738 -0.302 -3.937
103 HA TYR 13 HA TYR 13 -10.186 -2.649 -2.317
104 HB2 TYR 13 HB2 TYR 13 -11.838 -2.346 -4.732
105 HB3 TYR 13 HB1 TYR 13 -10.836 -3.788 -4.617
106 HD1 TYR 13 HD1 TYR 13 -13.724 -2.014 -3.259
107 HD2 TYR 13 HD2 TYR 13 -11.160 -5.364 -2.853
108 HE1 TYR 13 HE1 TYR 13 -15.343 -3.055 -1.738
109 HE2 TYR 13 HE2 TYR 13 -12.708 -6.427 -1.359
110 HH TYR 13 HH TYR 13 -15.931 -5.339 -0.937
111 H CYS 14 HN CYS 14 -8.127 -3.008 -2.303
112 HA CYS 14 HA CYS 14 -6.517 -2.407 -4.608
113 HB2 CYS 14 HB2 CYS 14 -5.801 -2.200 -2.111
114 HB3 CYS 14 HB1 CYS 14 -5.580 -3.941 -2.189
115 H VAL 15 HN VAL 15 -8.112 -3.897 -5.662
116 HA VAL 15 HA VAL 15 -7.556 -6.669 -5.620
117 HB VAL 15 HB VAL 15 -8.721 -6.773 -7.862
118 HG11 VAL 15 HG11 VAL 15 -10.939 -6.114 -6.999
119 HG12 VAL 15 HG12 VAL 15 -10.139 -5.310 -5.643
120 HG13 VAL 15 HG13 VAL 15 -10.000 -7.053 -5.842
121 HG21 VAL 15 HG21 VAL 15 -9.060 -3.796 -7.443
122 HG22 VAL 15 HG22 VAL 15 -9.862 -4.754 -8.688
123 HG23 VAL 15 HG23 VAL 15 -8.108 -4.558 -8.716
124 H ASN 16 HN ASN 16 -6.165 -3.974 -7.264
125 HA ASN 16 HA ASN 16 -4.263 -5.743 -8.634
126 HB2 ASN 16 HB2 ASN 16 -5.640 -4.773 -10.343
127 HB3 ASN 16 HB1 ASN 16 -5.558 -3.187 -9.602
128 HD21 ASN 16 HD21 ASN 16 -4.928 -2.351 -11.608
129 HD22 ASN 16 HD22 ASN 16 -3.338 -2.538 -12.237
130 H ASN 17 HN ASN 17 -2.356 -5.595 -8.012
131 HA ASN 17 HA ASN 17 -1.345 -3.996 -5.979
132 HB2 ASN 17 HB2 ASN 17 0.113 -5.534 -8.128
133 HB3 ASN 17 HB1 ASN 17 0.910 -4.787 -6.752
134 HD21 ASN 17 HD21 ASN 17 0.640 -7.618 -7.611
135 HD22 ASN 17 HD22 ASN 17 -0.037 -8.416 -6.237
136 H THR 18 HN THR 18 -1.494 -3.398 -9.379
137 HA THR 18 HA THR 18 0.525 -1.449 -9.482
138 HB THR 18 HB THR 18 -1.856 -1.787 -11.318
139 HG1 THR 18 HG1 THR 18 -0.830 -3.642 -11.598
140 HG21 THR 18 HG21 THR 18 0.863 -0.524 -11.797
141 HG22 THR 18 HG22 THR 18 -0.652 0.361 -11.632
142 HG23 THR 18 HG23 THR 18 -0.408 -0.722 -13.003
143 H ASN 19 HN ASN 19 -2.867 -1.235 -8.439
144 HA ASN 19 HA ASN 19 -3.028 1.615 -8.718
145 HB2 ASN 19 HB2 ASN 19 -5.047 0.025 -8.674
146 HB3 ASN 19 HB1 ASN 19 -4.686 -0.201 -6.959
147 HD21 ASN 19 HD21 ASN 19 -6.708 0.645 -6.351
148 HD22 ASN 19 HD22 ASN 19 -6.996 2.345 -6.451
149 H CYS 20 HN CYS 20 -2.409 -0.802 -6.290
150 HA CYS 20 HA CYS 20 -2.092 0.718 -3.966
151 HB2 CYS 20 HB2 CYS 20 -1.925 -1.875 -4.349
152 HB3 CYS 20 HB1 CYS 20 -0.291 -1.517 -4.740
153 H LYS 21 HN LYS 21 0.113 -0.396 -6.429
154 HA LYS 21 HA LYS 21 2.338 0.410 -5.418
155 HB2 LYS 21 HB2 LYS 21 1.664 -0.867 -7.672
156 HB3 LYS 21 HB1 LYS 21 2.080 0.716 -8.335
157 HG2 LYS 21 HG2 LYS 21 4.304 0.563 -7.643
158 HG3 LYS 21 HG1 LYS 21 3.923 -0.826 -6.615
159 HD2 LYS 21 HD2 LYS 21 5.068 -1.503 -8.703
160 HD3 LYS 21 HD1 LYS 21 3.459 -2.203 -8.545
161 HE2 LYS 21 HE2 LYS 21 2.594 -0.404 -10.031
162 HE3 LYS 21 HE1 LYS 21 4.252 0.164 -10.240
163 HZ1 LYS 21 HZ1 LYS 21 3.221 -2.521 -10.984
164 HZ2 LYS 21 HZ2 LYS 21 4.811 -1.995 -11.206
165 HZ3 LYS 21 HZ3 LYS 21 3.548 -1.270 -12.067
166 H ASN 22 HN ASN 22 0.183 2.079 -7.713
167 HA ASN 22 HA ASN 22 1.660 4.428 -8.086
168 HB2 ASN 22 HB2 ASN 22 -1.323 4.002 -8.321
169 HB3 ASN 22 HB1 ASN 22 -0.494 5.463 -8.828
170 HD21 ASN 22 HD21 ASN 22 -2.039 3.672 -10.431
171 HD22 ASN 22 HD22 ASN 22 -0.996 3.079 -11.674
172 H VAL 23 HN VAL 23 -1.012 3.730 -5.850
173 HA VAL 23 HA VAL 23 -1.070 6.269 -4.699
174 HB VAL 23 HB VAL 23 -1.886 3.617 -3.468
175 HG11 VAL 23 HG11 VAL 23 -3.249 4.985 -1.900
176 HG12 VAL 23 HG12 VAL 23 -2.512 6.429 -2.581
177 HG13 VAL 23 HG13 VAL 23 -1.516 5.261 -1.720
178 HG21 VAL 23 HG21 VAL 23 -3.440 5.723 -4.982
179 HG22 VAL 23 HG22 VAL 23 -4.208 4.496 -4.011
180 HG23 VAL 23 HG23 VAL 23 -3.227 4.011 -5.410
181 H CYS 24 HN CYS 24 0.745 3.385 -3.758
182 HA CYS 24 HA CYS 24 2.004 4.502 -1.515
183 HB2 CYS 24 HB2 CYS 24 2.715 2.214 -3.312
184 HB3 CYS 24 HB1 CYS 24 3.711 2.609 -1.926
185 H ARG 25 HN ARG 25 2.924 4.468 -4.891
186 HA ARG 25 HA ARG 25 5.441 5.652 -4.449
187 HB2 ARG 25 HB2 ARG 25 3.716 5.505 -6.920
188 HB3 ARG 25 HB1 ARG 25 5.371 6.114 -6.920
189 HG2 ARG 25 HG2 ARG 25 6.286 4.038 -6.451
190 HG3 ARG 25 HG1 ARG 25 4.781 3.419 -5.774
191 HD2 ARG 25 HD2 ARG 25 5.051 2.336 -7.836
192 HD3 ARG 25 HD1 ARG 25 3.816 3.563 -8.054
193 HE ARG 25 HE ARG 25 6.573 4.022 -8.809
194 HH11 ARG 25 HH11 ARG 25 3.118 3.977 -9.729
195 HH12 ARG 25 HH12 ARG 25 3.329 4.679 -11.234
196 HH21 ARG 25 HH21 ARG 25 6.884 5.003 -10.978
197 HH22 ARG 25 HH22 ARG 25 5.548 5.280 -11.992
198 H THR 26 HN THR 26 2.227 6.854 -4.723
199 HA THR 26 HA THR 26 2.991 9.623 -4.940
200 HB THR 26 HB THR 26 0.280 8.462 -4.180
201 HG1 THR 26 HG1 THR 26 1.080 7.696 -6.253
202 HG21 THR 26 HG21 THR 26 0.509 10.878 -3.751
203 HG22 THR 26 HG22 THR 26 -0.612 10.566 -5.077
204 HG23 THR 26 HG23 THR 26 1.026 11.125 -5.421
205 H GLU 27 HN GLU 27 2.185 7.349 -2.358
206 HA GLU 27 HA GLU 27 2.175 9.184 -0.201
207 HB2 GLU 27 HB2 GLU 27 2.757 6.225 -0.345
208 HB3 GLU 27 HB1 GLU 27 2.790 7.109 1.179
209 HG2 GLU 27 HG2 GLU 27 0.397 7.103 -0.611
210 HG3 GLU 27 HG1 GLU 27 0.569 5.843 0.562
211 H GLY 28 HN GLY 28 4.731 7.335 -1.710
212 HA2 GLY 28 HA2 GLY 28 6.876 8.693 -1.864
213 HA3 GLY 28 HA1 GLY 28 6.710 8.845 -0.116
214 H PHE 29 HN PHE 29 5.974 6.011 -2.020
215 HA PHE 29 HA PHE 29 8.157 4.593 -0.679
216 HB2 PHE 29 HB2 PHE 29 5.381 3.661 -1.370
217 HB3 PHE 29 HB1 PHE 29 6.645 2.575 -0.832
218 HD1 PHE 29 HD1 PHE 29 7.220 2.441 1.478
219 HD2 PHE 29 HD2 PHE 29 4.417 5.294 0.105
220 HE1 PHE 29 HE1 PHE 29 6.505 2.825 3.792
221 HE2 PHE 29 HE2 PHE 29 3.668 5.710 2.391
222 HZ PHE 29 HZ PHE 29 4.716 4.470 4.266
223 HA PRO 30 HA PRO 30 9.579 3.480 -4.717
224 HB2 PRO 30 HB2 PRO 30 10.260 0.822 -4.157
225 HB3 PRO 30 HB1 PRO 30 11.336 2.208 -3.948
226 HG2 PRO 30 HG2 PRO 30 9.800 0.717 -1.925
227 HG3 PRO 30 HG1 PRO 30 11.319 1.615 -1.762
228 HD2 PRO 30 HD2 PRO 30 8.954 2.510 -0.823
229 HD3 PRO 30 HD1 PRO 30 10.257 3.590 -1.339
230 H THR 31 HN THR 31 7.455 1.126 -3.043
231 HA THR 31 HA THR 31 5.981 0.771 -5.457
232 HB THR 31 HB THR 31 7.796 -0.784 -5.867
233 HG1 THR 31 HG1 THR 31 6.417 -2.862 -5.519
234 HG21 THR 31 HG21 THR 31 7.154 -1.915 -3.143
235 HG22 THR 31 HG22 THR 31 8.644 -1.120 -3.637
236 HG23 THR 31 HG23 THR 31 8.226 -2.701 -4.304
237 H GLY 32 HN GLY 32 4.302 -1.073 -4.958
238 HA2 GLY 32 HA2 GLY 32 3.452 -1.148 -2.231
239 HA3 GLY 32 HA1 GLY 32 2.403 -0.222 -3.313
240 H SER 33 HN SER 33 1.761 -2.596 -1.966
241 HA SER 33 HA SER 33 0.868 -4.195 -4.158
242 HB2 SER 33 HB2 SER 33 2.940 -5.021 -2.240
243 HB3 SER 33 HB1 SER 33 1.907 -6.305 -2.901
244 HG SER 33 HG SER 33 3.065 -4.399 -4.578
245 H CYS 34 HN CYS 34 -0.759 -5.829 -3.406
246 HA CYS 34 HA CYS 34 -2.352 -4.468 -1.435
247 HB2 CYS 34 HB2 CYS 34 -3.115 -6.711 -3.290
248 HB3 CYS 34 HB1 CYS 34 -4.187 -5.680 -2.341
249 H ASP 35 HN ASP 35 -3.608 -5.629 0.085
250 HA ASP 35 HA ASP 35 -2.537 -8.150 1.084
251 HB2 ASP 35 HB2 ASP 35 -1.191 -6.378 1.957
252 HB3 ASP 35 HB1 ASP 35 -2.619 -5.490 2.433
253 H PHE 36 HN PHE 36 -3.996 -8.989 2.764
254 HA PHE 36 HA PHE 36 -6.682 -7.881 2.632
255 HB2 PHE 36 HB2 PHE 36 -6.407 -9.996 1.256
256 HB3 PHE 36 HB1 PHE 36 -5.926 -10.827 2.721
257 HD1 PHE 36 HD1 PHE 36 -8.294 -11.218 0.663
258 HD2 PHE 36 HD2 PHE 36 -8.046 -9.606 4.585
259 HE1 PHE 36 HE1 PHE 36 -10.658 -11.816 1.059
260 HE2 PHE 36 HE2 PHE 36 -10.384 -10.180 5.000
261 HZ PHE 36 HZ PHE 36 -11.708 -11.309 3.229
262 H HIS 37 HN HIS 37 -6.840 -7.057 4.571
263 HA HIS 37 HA HIS 37 -6.365 -8.826 6.866
264 HB2 HIS 37 HB2 HIS 37 -4.965 -7.294 8.049
265 HB3 HIS 37 HB1 HIS 37 -4.479 -7.094 6.360
266 HD1 HIS 37 HD1 HIS 37 -5.981 -5.269 9.167
267 HD2 HIS 37 HD2 HIS 37 -5.204 -4.668 5.143
268 HE1 HIS 37 HE1 HIS 37 -6.190 -2.789 8.792
269 HE2 HIS 37 HE2 HIS 37 -5.136 -2.550 6.550
270 H VAL 38 HN VAL 38 -8.506 -7.367 5.153
271 HA VAL 38 HA VAL 38 -10.325 -6.706 7.232
272 HB VAL 38 HB VAL 38 -10.958 -4.514 5.977
273 HG11 VAL 38 HG11 VAL 38 -9.956 -4.378 8.172
274 HG12 VAL 38 HG12 VAL 38 -9.276 -3.111 7.123
275 HG13 VAL 38 HG13 VAL 38 -8.347 -4.561 7.469
276 HG21 VAL 38 HG21 VAL 38 -9.634 -4.805 3.943
277 HG22 VAL 38 HG22 VAL 38 -8.167 -4.881 4.914
278 HG23 VAL 38 HG23 VAL 38 -9.053 -3.369 4.811
279 H ALA 39 HN ALA 39 -12.491 -6.349 6.163
280 HA ALA 39 HA ALA 39 -13.025 -8.408 4.399
281 HB1 ALA 39 HB1 ALA 39 -14.730 -7.390 5.835
282 HB2 ALA 39 HB2 ALA 39 -15.264 -7.439 4.154
283 HB3 ALA 39 HB3 ALA 39 -14.685 -5.925 4.851
284 H GLY 40 HN GLY 40 -12.145 -5.131 3.792
285 HA2 GLY 40 HA2 GLY 40 -12.592 -5.374 0.931
286 HA3 GLY 40 HA1 GLY 40 -12.033 -3.934 1.779
287 H ARG 41 HN ARG 41 -10.484 -4.004 -0.040
288 HA ARG 41 HA ARG 41 -8.281 -5.820 0.586
289 HB2 ARG 41 HB2 ARG 41 -9.194 -4.811 -2.099
290 HB3 ARG 41 HB1 ARG 41 -7.575 -5.499 -1.812
291 HG2 ARG 41 HG2 ARG 41 -8.404 -7.469 -1.232
292 HG3 ARG 41 HG1 ARG 41 -10.129 -6.997 -1.156
293 HD2 ARG 41 HD2 ARG 41 -9.806 -8.303 -3.110
294 HD3 ARG 41 HD1 ARG 41 -9.745 -6.644 -3.698
295 HE ARG 41 HE ARG 41 -7.264 -6.876 -3.536
296 HH11 ARG 41 HH11 ARG 41 -9.265 -9.763 -4.051
297 HH12 ARG 41 HH12 ARG 41 -8.092 -10.593 -4.956
298 HH21 ARG 41 HH21 ARG 41 -5.659 -8.002 -4.786
299 HH22 ARG 41 HH22 ARG 41 -5.956 -9.549 -5.402
300 H LYS 42 HN LYS 42 -6.508 -4.913 1.299
301 HA LYS 42 HA LYS 42 -6.515 -2.010 1.233
302 HB2 LYS 42 HB2 LYS 42 -6.768 -3.115 3.444
303 HB3 LYS 42 HB1 LYS 42 -5.240 -3.914 3.226
304 HG2 LYS 42 HG2 LYS 42 -5.090 -1.982 4.729
305 HG3 LYS 42 HG1 LYS 42 -4.070 -1.788 3.308
306 HD2 LYS 42 HD2 LYS 42 -5.547 -0.221 2.343
307 HD3 LYS 42 HD1 LYS 42 -6.835 -0.572 3.515
308 HE2 LYS 42 HE2 LYS 42 -5.547 0.324 5.249
309 HE3 LYS 42 HE1 LYS 42 -4.135 0.576 4.216
310 HZ1 LYS 42 HZ1 LYS 42 -5.168 2.696 4.406
311 HZ2 LYS 42 HZ2 LYS 42 -6.727 2.102 4.205
312 HZ3 LYS 42 HZ3 LYS 42 -5.685 2.183 2.897
313 H CYS 43 HN CYS 43 -4.619 -0.952 0.877
314 HA CYS 43 HA CYS 43 -2.648 -2.329 -0.743
315 HB2 CYS 43 HB2 CYS 43 -3.712 -0.437 -1.734
316 HB3 CYS 43 HB1 CYS 43 -3.443 0.531 -0.302
317 H TYR 44 HN TYR 44 -0.557 -2.421 -0.125
318 HA TYR 44 HA TYR 44 0.264 -0.959 2.227
319 HB2 TYR 44 HB2 TYR 44 0.589 -3.885 1.697
320 HB3 TYR 44 HB1 TYR 44 1.732 -2.999 2.692
321 HD1 TYR 44 HD1 TYR 44 -1.930 -3.533 2.387
322 HD2 TYR 44 HD2 TYR 44 1.380 -2.970 4.958
323 HE1 TYR 44 HE1 TYR 44 -3.370 -3.957 4.289
324 HE2 TYR 44 HE2 TYR 44 -0.044 -3.385 6.902
325 HH TYR 44 HH TYR 44 -2.868 -4.863 6.653
326 H CYS 45 HN CYS 45 2.123 -0.165 2.077
327 HA CYS 45 HA CYS 45 3.375 -0.145 -0.498
328 HB2 CYS 45 HB2 CYS 45 3.871 1.484 1.990
329 HB3 CYS 45 HB1 CYS 45 4.496 1.843 0.423
330 H TYR 46 HN TYR 46 5.449 -0.732 -0.850
331 HA TYR 46 HA TYR 46 6.719 -2.178 1.333
332 HB2 TYR 46 HB2 TYR 46 6.639 -2.751 -1.581
333 HB3 TYR 46 HB1 TYR 46 7.930 -3.398 -0.574
334 HD1 TYR 46 HD1 TYR 46 7.623 -5.436 0.409
335 HD2 TYR 46 HD2 TYR 46 4.154 -3.253 -0.768
336 HE1 TYR 46 HE1 TYR 46 6.231 -7.336 0.987
337 HE2 TYR 46 HE2 TYR 46 2.770 -5.067 -0.191
338 HH TYR 46 HH TYR 46 3.026 -7.606 -0.020
339 H LYS 47 HN LYS 47 8.659 -1.781 1.859
340 HA LYS 47 HA LYS 47 10.327 -0.121 0.190
341 HB2 LYS 47 HB2 LYS 47 10.807 1.504 2.008
342 HB3 LYS 47 HB1 LYS 47 9.156 1.588 1.421
343 HG2 LYS 47 HG2 LYS 47 8.394 0.351 3.396
344 HG3 LYS 47 HG1 LYS 47 10.055 0.224 3.967
345 HD2 LYS 47 HD2 LYS 47 10.200 2.652 4.120
346 HD3 LYS 47 HD1 LYS 47 8.541 2.800 3.542
347 HE2 LYS 47 HE2 LYS 47 8.542 3.009 5.944
348 HE3 LYS 47 HE1 LYS 47 7.804 1.468 5.512
349 HZ1 LYS 47 HZ1 LYS 47 9.923 0.364 6.035
350 HZ2 LYS 47 HZ2 LYS 47 9.338 1.216 7.364
351 HZ3 LYS 47 HZ3 LYS 47 10.602 1.851 6.445
352 HA PRO 48 HA PRO 48 13.353 -2.767 2.011
353 HB2 PRO 48 HB2 PRO 48 15.601 -1.405 1.384
354 HB3 PRO 48 HB1 PRO 48 14.649 -2.252 0.147
355 HG2 PRO 48 HG2 PRO 48 14.738 0.643 0.774
356 HG3 PRO 48 HG1 PRO 48 14.618 -0.172 -0.798
357 HD2 PRO 48 HD2 PRO 48 12.474 0.933 0.487
358 HD3 PRO 48 HD1 PRO 48 12.366 -0.417 -0.659
359 H CYS 49 HN CYS 49 13.405 -2.887 4.033
360 HA CYS 49 HA CYS 49 14.684 -0.796 5.669
361 HB2 CYS 49 HB2 CYS 49 12.848 -3.117 6.343
362 HB3 CYS 49 HB1 CYS 49 13.588 -2.091 7.587
363 HA PRO 50 HA PRO 50 18.153 -3.673 6.216
364 HB2 PRO 50 HB2 PRO 50 18.244 -4.089 8.975
365 HB3 PRO 50 HB1 PRO 50 18.998 -2.712 8.144
366 HG2 PRO 50 HG2 PRO 50 16.401 -2.837 9.573
367 HG3 PRO 50 HG1 PRO 50 17.604 -1.532 9.522
368 HD2 PRO 50 HD2 PRO 50 15.373 -1.352 8.100
369 HD3 PRO 50 HD1 PRO 50 16.919 -0.787 7.446
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 15.055 -5.417 4.300
2 H2 ARG 1 HT2 ARG 1 15.215 -6.826 3.398
3 H3 ARG 1 HT3 ARG 1 15.570 -6.757 5.073
4 HA ARG 1 HA ARG 1 13.270 -7.698 4.513
5 HB2 ARG 1 HB2 ARG 1 13.724 -5.373 6.364
6 HB3 ARG 1 HB1 ARG 1 12.189 -6.216 6.291
7 HG2 ARG 1 HG2 ARG 1 13.185 -8.232 7.085
8 HG3 ARG 1 HG1 ARG 1 14.807 -7.546 6.935
9 HD2 ARG 1 HD2 ARG 1 14.362 -5.940 8.637
10 HD3 ARG 1 HD1 ARG 1 12.669 -6.385 8.705
11 HE ARG 1 HE ARG 1 13.248 -8.461 9.690
12 HH11 ARG 1 HH11 ARG 1 16.048 -6.297 9.426
13 HH12 ARG 1 HH12 ARG 1 16.888 -6.924 10.737
14 HH21 ARG 1 HH21 ARG 1 14.420 -9.395 11.551
15 HH22 ARG 1 HH22 ARG 1 15.937 -8.751 11.985
16 H MET 2 HN MET 2 11.114 -7.187 4.134
17 HA MET 2 HA MET 2 10.662 -4.790 2.495
18 HB2 MET 2 HB2 MET 2 9.407 -7.539 2.440
19 HB3 MET 2 HB1 MET 2 8.721 -6.144 1.624
20 HG2 MET 2 HG2 MET 2 10.645 -5.944 0.233
21 HG3 MET 2 HG1 MET 2 11.463 -7.236 1.111
22 HE1 MET 2 HE1 MET 2 11.167 -7.157 -2.085
23 HE2 MET 2 HE2 MET 2 10.737 -8.834 -2.419
24 HE3 MET 2 HE3 MET 2 11.974 -8.464 -1.218
25 H CYS 3 HN CYS 3 10.046 -3.414 3.830
26 HA CYS 3 HA CYS 3 8.367 -4.043 6.057
27 HB2 CYS 3 HB2 CYS 3 9.684 -1.622 4.976
28 HB3 CYS 3 HB1 CYS 3 8.398 -1.408 6.139
29 H LYS 4 HN LYS 4 6.311 -4.348 5.827
30 HA LYS 4 HA LYS 4 4.874 -3.145 3.615
31 HB2 LYS 4 HB2 LYS 4 4.681 -5.605 4.200
32 HB3 LYS 4 HB1 LYS 4 3.889 -5.120 5.691
33 HG2 LYS 4 HG2 LYS 4 2.071 -4.092 4.391
34 HG3 LYS 4 HG1 LYS 4 2.929 -4.507 2.923
35 HD2 LYS 4 HD2 LYS 4 1.164 -6.077 3.262
36 HD3 LYS 4 HD1 LYS 4 2.722 -6.856 3.425
37 HE2 LYS 4 HE2 LYS 4 2.552 -6.893 5.843
38 HE3 LYS 4 HE1 LYS 4 1.068 -5.941 5.790
39 HZ1 LYS 4 HZ1 LYS 4 0.739 -8.428 6.120
40 HZ2 LYS 4 HZ2 LYS 4 1.177 -8.620 4.475
41 HZ3 LYS 4 HZ3 LYS 4 -0.119 -7.718 4.891
42 H THR 5 HN THR 5 4.092 -1.219 3.970
43 HA THR 5 HA THR 5 3.302 -0.357 6.658
44 HB THR 5 HB THR 5 4.344 1.074 4.236
45 HG1 THR 5 HG1 THR 5 5.468 -0.229 6.111
46 HG21 THR 5 HG21 THR 5 3.611 2.238 6.942
47 HG22 THR 5 HG22 THR 5 2.818 2.541 5.377
48 HG23 THR 5 HG23 THR 5 4.466 3.086 5.639
49 HA PRO 6 HA PRO 6 -0.826 -0.091 4.682
50 HB2 PRO 6 HB2 PRO 6 -1.846 1.406 6.889
51 HB3 PRO 6 HB1 PRO 6 -2.042 -0.324 6.519
52 HG2 PRO 6 HG2 PRO 6 -0.637 0.692 8.685
53 HG3 PRO 6 HG1 PRO 6 -0.547 -0.958 8.052
54 HD2 PRO 6 HD2 PRO 6 1.364 1.281 7.697
55 HD3 PRO 6 HD1 PRO 6 1.634 -0.472 7.693
56 H SER 7 HN SER 7 -0.909 1.230 3.018
57 HA SER 7 HA SER 7 -0.132 3.832 2.730
58 HB2 SER 7 HB2 SER 7 -2.558 2.780 1.376
59 HB3 SER 7 HB1 SER 7 -1.144 3.597 0.689
60 HG SER 7 HG SER 7 -0.145 1.802 0.533
61 H GLY 8 HN GLY 8 -1.210 5.783 2.879
62 HA2 GLY 8 HA2 GLY 8 -3.521 5.737 4.700
63 HA3 GLY 8 HA1 GLY 8 -2.360 7.039 4.580
64 H LYS 9 HN LYS 9 -2.762 6.756 1.376
65 HA LYS 9 HA LYS 9 -5.155 8.416 1.642
66 HB2 LYS 9 HB2 LYS 9 -4.256 9.560 -0.462
67 HB3 LYS 9 HB1 LYS 9 -3.559 10.020 1.109
68 HG2 LYS 9 HG2 LYS 9 -1.704 9.755 -0.186
69 HG3 LYS 9 HG1 LYS 9 -1.893 8.145 0.431
70 HD2 LYS 9 HD2 LYS 9 -1.873 7.469 -1.569
71 HD3 LYS 9 HD1 LYS 9 -3.514 8.137 -1.723
72 HE2 LYS 9 HE2 LYS 9 -2.124 8.872 -3.534
73 HE3 LYS 9 HE1 LYS 9 -2.522 10.240 -2.467
74 HZ1 LYS 9 HZ1 LYS 9 0.029 8.698 -2.453
75 HZ2 LYS 9 HZ2 LYS 9 -0.329 9.946 -1.398
76 HZ3 LYS 9 HZ3 LYS 9 -0.124 10.281 -3.032
77 H PHE 10 HN PHE 10 -3.990 5.806 0.508
78 HA PHE 10 HA PHE 10 -5.646 5.252 -1.763
79 HB2 PHE 10 HB2 PHE 10 -3.704 3.800 -0.742
80 HB3 PHE 10 HB1 PHE 10 -4.953 3.215 0.333
81 HD1 PHE 10 HD1 PHE 10 -6.770 1.774 -0.499
82 HD2 PHE 10 HD2 PHE 10 -3.729 3.302 -2.954
83 HE1 PHE 10 HE1 PHE 10 -7.411 0.139 -2.229
84 HE2 PHE 10 HE2 PHE 10 -4.327 1.665 -4.759
85 HZ PHE 10 HZ PHE 10 -6.189 0.084 -4.370
86 H LYS 11 HN LYS 11 -7.582 4.563 -2.021
87 HA LYS 11 HA LYS 11 -9.156 3.715 0.160
88 HB2 LYS 11 HB2 LYS 11 -10.898 5.436 -0.918
89 HB3 LYS 11 HB1 LYS 11 -9.816 5.846 0.419
90 HG2 LYS 11 HG2 LYS 11 -8.136 6.535 -1.339
91 HG3 LYS 11 HG1 LYS 11 -9.459 6.451 -2.495
92 HD2 LYS 11 HD2 LYS 11 -8.959 8.621 -1.640
93 HD3 LYS 11 HD1 LYS 11 -10.619 7.983 -1.400
94 HE2 LYS 11 HE2 LYS 11 -9.602 9.305 0.612
95 HE3 LYS 11 HE1 LYS 11 -10.265 7.722 0.974
96 HZ1 LYS 11 HZ1 LYS 11 -8.052 6.803 1.009
97 HZ2 LYS 11 HZ2 LYS 11 -8.002 8.176 1.984
98 HZ3 LYS 11 HZ3 LYS 11 -7.393 8.210 0.403
99 H GLY 12 HN GLY 12 -10.500 2.075 -0.685
100 HA2 GLY 12 HA2 GLY 12 -12.076 1.565 -2.518
101 HA3 GLY 12 HA1 GLY 12 -10.757 1.975 -3.608
102 H TYR 13 HN TYR 13 -11.352 -0.254 -4.328
103 HA TYR 13 HA TYR 13 -10.397 -2.353 -2.607
104 HB2 TYR 13 HB2 TYR 13 -12.165 -2.223 -4.906
105 HB3 TYR 13 HB1 TYR 13 -11.038 -3.574 -4.977
106 HD1 TYR 13 HD1 TYR 13 -13.966 -2.202 -3.299
107 HD2 TYR 13 HD2 TYR 13 -10.974 -5.208 -3.193
108 HE1 TYR 13 HE1 TYR 13 -15.312 -3.484 -1.677
109 HE2 TYR 13 HE2 TYR 13 -12.264 -6.487 -1.601
110 HH TYR 13 HH TYR 13 -15.541 -5.786 -0.873
111 H CYS 14 HN CYS 14 -8.388 -2.818 -2.520
112 HA CYS 14 HA CYS 14 -6.624 -2.271 -4.719
113 HB2 CYS 14 HB2 CYS 14 -6.113 -2.103 -2.149
114 HB3 CYS 14 HB1 CYS 14 -5.827 -3.833 -2.272
115 H VAL 15 HN VAL 15 -8.018 -3.734 -6.021
116 HA VAL 15 HA VAL 15 -7.336 -6.526 -5.787
117 HB VAL 15 HB VAL 15 -8.629 -6.854 -7.905
118 HG11 VAL 15 HG11 VAL 15 -10.041 -5.303 -5.741
119 HG12 VAL 15 HG12 VAL 15 -9.751 -7.041 -5.765
120 HG13 VAL 15 HG13 VAL 15 -10.833 -6.311 -6.951
121 HG21 VAL 15 HG21 VAL 15 -9.158 -3.881 -7.688
122 HG22 VAL 15 HG22 VAL 15 -9.953 -4.983 -8.811
123 HG23 VAL 15 HG23 VAL 15 -8.223 -4.673 -8.955
124 H ASN 16 HN ASN 16 -6.267 -3.778 -7.614
125 HA ASN 16 HA ASN 16 -4.342 -5.505 -9.018
126 HB2 ASN 16 HB2 ASN 16 -5.810 -4.000 -10.454
127 HB3 ASN 16 HB1 ASN 16 -5.022 -2.622 -9.694
128 HD21 ASN 16 HD21 ASN 16 -5.010 -3.206 -12.483
129 HD22 ASN 16 HD22 ASN 16 -3.387 -3.517 -12.957
130 H ASN 17 HN ASN 17 -2.410 -5.492 -8.223
131 HA ASN 17 HA ASN 17 -1.589 -3.951 -6.025
132 HB2 ASN 17 HB2 ASN 17 0.107 -5.547 -7.946
133 HB3 ASN 17 HB1 ASN 17 0.688 -4.864 -6.436
134 HD21 ASN 17 HD21 ASN 17 -1.048 -7.442 -7.932
135 HD22 ASN 17 HD22 ASN 17 -1.355 -8.328 -6.487
136 H THR 18 HN THR 18 -1.274 -3.411 -9.407
137 HA THR 18 HA THR 18 0.787 -1.501 -9.460
138 HB THR 18 HB THR 18 -1.624 -1.787 -11.269
139 HG1 THR 18 HG1 THR 18 -0.775 -3.676 -11.580
140 HG21 THR 18 HG21 THR 18 -0.150 -0.910 -13.002
141 HG22 THR 18 HG22 THR 18 1.163 -0.729 -11.831
142 HG23 THR 18 HG23 THR 18 -0.302 0.253 -11.686
143 H ASN 19 HN ASN 19 -2.674 -1.248 -8.553
144 HA ASN 19 HA ASN 19 -2.849 1.596 -8.895
145 HB2 ASN 19 HB2 ASN 19 -4.876 0.079 -8.924
146 HB3 ASN 19 HB1 ASN 19 -4.585 -0.237 -7.213
147 HD21 ASN 19 HD21 ASN 19 -6.597 0.621 -6.599
148 HD22 ASN 19 HD22 ASN 19 -6.879 2.326 -6.656
149 H CYS 20 HN CYS 20 -2.487 -0.698 -6.276
150 HA CYS 20 HA CYS 20 -2.220 0.939 -4.022
151 HB2 CYS 20 HB2 CYS 20 -2.096 -1.695 -4.290
152 HB3 CYS 20 HB1 CYS 20 -0.443 -1.366 -4.586
153 H LYS 21 HN LYS 21 -0.018 -0.288 -6.374
154 HA LYS 21 HA LYS 21 2.286 0.342 -5.355
155 HB2 LYS 21 HB2 LYS 21 1.424 -0.768 -7.647
156 HB3 LYS 21 HB1 LYS 21 2.037 0.781 -8.222
157 HG2 LYS 21 HG2 LYS 21 4.207 0.308 -7.529
158 HG3 LYS 21 HG1 LYS 21 3.670 -1.164 -6.694
159 HD2 LYS 21 HD2 LYS 21 2.954 -2.157 -8.741
160 HD3 LYS 21 HD1 LYS 21 3.270 -0.669 -9.631
161 HE2 LYS 21 HE2 LYS 21 4.988 -2.234 -10.047
162 HE3 LYS 21 HE1 LYS 21 5.569 -0.855 -9.086
163 HZ1 LYS 21 HZ1 LYS 21 6.448 -3.029 -8.285
164 HZ2 LYS 21 HZ2 LYS 21 4.872 -3.535 -7.964
165 HZ3 LYS 21 HZ3 LYS 21 5.540 -2.254 -7.094
166 H ASN 22 HN ASN 22 0.316 2.109 -7.740
167 HA ASN 22 HA ASN 22 1.976 4.362 -8.076
168 HB2 ASN 22 HB2 ASN 22 -0.981 4.041 -8.611
169 HB3 ASN 22 HB1 ASN 22 -0.042 5.452 -9.082
170 HD21 ASN 22 HD21 ASN 22 -1.482 3.601 -10.753
171 HD22 ASN 22 HD22 ASN 22 -0.330 2.912 -11.840
172 H VAL 23 HN VAL 23 -0.812 3.779 -6.043
173 HA VAL 23 HA VAL 23 -1.006 6.350 -4.988
174 HB VAL 23 HB VAL 23 -1.802 3.682 -3.798
175 HG11 VAL 23 HG11 VAL 23 -3.212 4.992 -2.239
176 HG12 VAL 23 HG12 VAL 23 -2.632 6.453 -2.968
177 HG13 VAL 23 HG13 VAL 23 -1.514 5.440 -2.059
178 HG21 VAL 23 HG21 VAL 23 -2.980 4.160 -5.823
179 HG22 VAL 23 HG22 VAL 23 -3.285 5.823 -5.271
180 HG23 VAL 23 HG23 VAL 23 -4.063 4.478 -4.452
181 H CYS 24 HN CYS 24 0.689 3.504 -3.736
182 HA CYS 24 HA CYS 24 1.883 4.720 -1.525
183 HB2 CYS 24 HB2 CYS 24 2.583 2.299 -3.157
184 HB3 CYS 24 HB1 CYS 24 3.525 2.725 -1.744
185 H ARG 25 HN ARG 25 2.983 4.391 -4.845
186 HA ARG 25 HA ARG 25 5.529 5.473 -4.431
187 HB2 ARG 25 HB2 ARG 25 3.817 5.392 -6.918
188 HB3 ARG 25 HB1 ARG 25 5.509 5.892 -6.916
189 HG2 ARG 25 HG2 ARG 25 6.272 3.757 -6.314
190 HG3 ARG 25 HG1 ARG 25 4.675 3.250 -5.771
191 HD2 ARG 25 HD2 ARG 25 5.035 2.141 -7.808
192 HD3 ARG 25 HD1 ARG 25 3.938 3.488 -8.143
193 HE ARG 25 HE ARG 25 6.754 3.829 -8.527
194 HH11 ARG 25 HH11 ARG 25 3.537 3.484 -10.084
195 HH12 ARG 25 HH12 ARG 25 4.058 3.907 -11.615
196 HH21 ARG 25 HH21 ARG 25 7.480 4.422 -10.731
197 HH22 ARG 25 HH22 ARG 25 6.370 4.451 -12.019
198 H THR 26 HN THR 26 2.412 6.902 -4.917
199 HA THR 26 HA THR 26 3.429 9.602 -5.079
200 HB THR 26 HB THR 26 0.544 8.731 -4.679
201 HG1 THR 26 HG1 THR 26 1.505 7.734 -6.581
202 HG21 THR 26 HG21 THR 26 0.014 10.836 -5.834
203 HG22 THR 26 HG22 THR 26 1.734 11.195 -5.982
204 HG23 THR 26 HG23 THR 26 0.979 11.146 -4.390
205 H GLU 27 HN GLU 27 2.687 7.391 -2.509
206 HA GLU 27 HA GLU 27 2.345 9.502 -0.558
207 HB2 GLU 27 HB2 GLU 27 2.524 6.484 -0.202
208 HB3 GLU 27 HB1 GLU 27 2.358 7.607 1.144
209 HG2 GLU 27 HG2 GLU 27 0.271 8.423 0.113
210 HG3 GLU 27 HG1 GLU 27 0.442 7.162 -1.105
211 H GLY 28 HN GLY 28 4.842 7.551 -1.846
212 HA2 GLY 28 HA2 GLY 28 7.067 8.717 -1.694
213 HA3 GLY 28 HA1 GLY 28 6.754 8.801 0.035
214 H PHE 29 HN PHE 29 6.004 6.066 -2.019
215 HA PHE 29 HA PHE 29 8.055 4.516 -0.613
216 HB2 PHE 29 HB2 PHE 29 5.270 3.698 -1.409
217 HB3 PHE 29 HB1 PHE 29 6.477 2.600 -0.756
218 HD1 PHE 29 HD1 PHE 29 4.232 5.378 -0.045
219 HD2 PHE 29 HD2 PHE 29 6.985 2.591 1.566
220 HE1 PHE 29 HE1 PHE 29 3.414 5.924 2.183
221 HE2 PHE 29 HE2 PHE 29 6.212 3.097 3.818
222 HZ PHE 29 HZ PHE 29 4.408 4.783 4.164
223 HA PRO 30 HA PRO 30 9.446 3.347 -4.653
224 HB2 PRO 30 HB2 PRO 30 10.183 0.733 -4.079
225 HB3 PRO 30 HB1 PRO 30 11.217 2.139 -3.800
226 HG2 PRO 30 HG2 PRO 30 9.601 0.596 -1.873
227 HG3 PRO 30 HG1 PRO 30 11.136 1.450 -1.640
228 HD2 PRO 30 HD2 PRO 30 8.780 2.405 -0.742
229 HD3 PRO 30 HD1 PRO 30 10.120 3.453 -1.234
230 H THR 31 HN THR 31 7.243 1.142 -2.890
231 HA THR 31 HA THR 31 5.816 0.683 -5.301
232 HB THR 31 HB THR 31 7.573 -0.929 -5.645
233 HG1 THR 31 HG1 THR 31 5.742 -2.732 -4.680
234 HG21 THR 31 HG21 THR 31 8.479 -1.148 -3.442
235 HG22 THR 31 HG22 THR 31 8.005 -2.772 -3.965
236 HG23 THR 31 HG23 THR 31 6.996 -1.861 -2.836
237 H GLY 32 HN GLY 32 4.013 -0.981 -4.782
238 HA2 GLY 32 HA2 GLY 32 3.189 -0.997 -2.065
239 HA3 GLY 32 HA1 GLY 32 2.164 -0.087 -3.195
240 H SER 33 HN SER 33 1.430 -2.423 -1.875
241 HA SER 33 HA SER 33 0.704 -4.063 -4.098
242 HB2 SER 33 HB2 SER 33 2.645 -4.892 -2.020
243 HB3 SER 33 HB1 SER 33 1.700 -6.159 -2.832
244 HG SER 33 HG SER 33 2.845 -4.239 -4.409
245 H CYS 34 HN CYS 34 -0.922 -5.645 -3.502
246 HA CYS 34 HA CYS 34 -2.632 -4.451 -1.476
247 HB2 CYS 34 HB2 CYS 34 -3.258 -6.474 -3.605
248 HB3 CYS 34 HB1 CYS 34 -4.418 -5.592 -2.622
249 H ASP 35 HN ASP 35 -3.149 -5.435 0.348
250 HA ASP 35 HA ASP 35 -2.397 -8.250 0.757
251 HB2 ASP 35 HB2 ASP 35 -0.722 -6.688 1.688
252 HB3 ASP 35 HB1 ASP 35 -2.007 -5.885 2.558
253 H PHE 36 HN PHE 36 -3.477 -9.030 2.891
254 HA PHE 36 HA PHE 36 -6.191 -7.982 3.008
255 HB2 PHE 36 HB2 PHE 36 -6.507 -9.964 1.823
256 HB3 PHE 36 HB1 PHE 36 -5.244 -10.808 2.697
257 HD1 PHE 36 HD1 PHE 36 -8.419 -9.038 3.823
258 HD2 PHE 36 HD2 PHE 36 -6.099 -12.622 3.750
259 HE1 PHE 36 HE1 PHE 36 -10.084 -10.137 5.208
260 HE2 PHE 36 HE2 PHE 36 -7.784 -13.728 5.164
261 HZ PHE 36 HZ PHE 36 -9.780 -12.488 5.896
262 H HIS 37 HN HIS 37 -6.591 -7.198 4.875
263 HA HIS 37 HA HIS 37 -6.029 -8.767 7.264
264 HB2 HIS 37 HB2 HIS 37 -4.789 -7.122 8.438
265 HB3 HIS 37 HB1 HIS 37 -4.179 -6.955 6.791
266 HD1 HIS 37 HD1 HIS 37 -5.600 -5.029 9.499
267 HD2 HIS 37 HD2 HIS 37 -5.389 -4.686 5.375
268 HE1 HIS 37 HE1 HIS 37 -6.195 -2.636 8.973
269 HE2 HIS 37 HE2 HIS 37 -6.374 -2.595 6.512
270 H VAL 38 HN VAL 38 -8.212 -7.443 5.387
271 HA VAL 38 HA VAL 38 -10.064 -6.722 7.428
272 HB VAL 38 HB VAL 38 -10.781 -4.631 6.069
273 HG11 VAL 38 HG11 VAL 38 -8.184 -4.494 7.584
274 HG12 VAL 38 HG12 VAL 38 -9.805 -4.361 8.276
275 HG13 VAL 38 HG13 VAL 38 -9.195 -3.115 7.180
276 HG21 VAL 38 HG21 VAL 38 -9.381 -4.987 4.051
277 HG22 VAL 38 HG22 VAL 38 -7.940 -4.839 5.069
278 HG23 VAL 38 HG23 VAL 38 -8.976 -3.457 4.843
279 H ALA 39 HN ALA 39 -12.255 -6.397 6.377
280 HA ALA 39 HA ALA 39 -12.654 -8.472 4.481
281 HB1 ALA 39 HB1 ALA 39 -14.338 -7.988 6.211
282 HB2 ALA 39 HB2 ALA 39 -15.030 -7.831 4.597
283 HB3 ALA 39 HB3 ALA 39 -14.596 -6.389 5.513
284 H GLY 40 HN GLY 40 -11.330 -7.773 2.887
285 HA2 GLY 40 HA2 GLY 40 -12.174 -6.925 0.568
286 HA3 GLY 40 HA1 GLY 40 -11.974 -5.379 1.399
287 H ARG 41 HN ARG 41 -10.289 -4.773 0.054
288 HA ARG 41 HA ARG 41 -7.817 -6.305 0.378
289 HB2 ARG 41 HB2 ARG 41 -8.821 -4.572 -1.822
290 HB3 ARG 41 HB1 ARG 41 -7.250 -5.406 -1.765
291 HG2 ARG 41 HG2 ARG 41 -9.924 -6.687 -1.658
292 HG3 ARG 41 HG1 ARG 41 -9.083 -6.427 -3.141
293 HD2 ARG 41 HD2 ARG 41 -8.110 -8.088 -0.784
294 HD3 ARG 41 HD1 ARG 41 -8.688 -8.734 -2.317
295 HE ARG 41 HE ARG 41 -6.713 -7.249 -3.180
296 HH11 ARG 41 HH11 ARG 41 -6.695 -9.302 -0.286
297 HH12 ARG 41 HH12 ARG 41 -5.078 -9.798 -0.440
298 HH21 ARG 41 HH21 ARG 41 -4.488 -8.003 -3.454
299 HH22 ARG 41 HH22 ARG 41 -3.755 -8.990 -2.284
300 H LYS 42 HN LYS 42 -6.208 -5.178 1.358
301 HA LYS 42 HA LYS 42 -6.559 -2.282 1.540
302 HB2 LYS 42 HB2 LYS 42 -6.588 -3.389 3.735
303 HB3 LYS 42 HB1 LYS 42 -5.044 -4.134 3.394
304 HG2 LYS 42 HG2 LYS 42 -4.727 -2.249 4.883
305 HG3 LYS 42 HG1 LYS 42 -3.987 -1.892 3.325
306 HD2 LYS 42 HD2 LYS 42 -5.812 -0.504 2.703
307 HD3 LYS 42 HD1 LYS 42 -6.731 -0.926 4.170
308 HE2 LYS 42 HE2 LYS 42 -5.840 1.176 4.604
309 HE3 LYS 42 HE1 LYS 42 -4.734 0.053 5.391
310 HZ1 LYS 42 HZ1 LYS 42 -3.200 0.285 3.429
311 HZ2 LYS 42 HZ2 LYS 42 -3.511 1.809 4.123
312 HZ3 LYS 42 HZ3 LYS 42 -4.280 1.368 2.745
313 H CYS 43 HN CYS 43 -5.110 -1.087 0.635
314 HA CYS 43 HA CYS 43 -2.873 -2.169 -0.755
315 HB2 CYS 43 HB2 CYS 43 -4.103 -0.244 -1.586
316 HB3 CYS 43 HB1 CYS 43 -3.758 0.645 -0.119
317 H TYR 44 HN TYR 44 -0.815 -2.343 -0.011
318 HA TYR 44 HA TYR 44 -0.056 -0.843 2.340
319 HB2 TYR 44 HB2 TYR 44 0.373 -3.729 1.718
320 HB3 TYR 44 HB1 TYR 44 1.511 -2.827 2.705
321 HD1 TYR 44 HD1 TYR 44 -1.926 -4.047 2.500
322 HD2 TYR 44 HD2 TYR 44 1.038 -2.319 4.955
323 HE1 TYR 44 HE1 TYR 44 -3.245 -4.629 4.502
324 HE2 TYR 44 HE2 TYR 44 -0.261 -2.861 6.953
325 HH TYR 44 HH TYR 44 -2.571 -5.071 6.951
326 H CYS 45 HN CYS 45 1.899 -0.078 2.247
327 HA CYS 45 HA CYS 45 3.114 -0.015 -0.361
328 HB2 CYS 45 HB2 CYS 45 3.635 1.649 2.101
329 HB3 CYS 45 HB1 CYS 45 4.235 1.976 0.516
330 H TYR 46 HN TYR 46 5.186 -0.644 -0.675
331 HA TYR 46 HA TYR 46 6.399 -2.036 1.574
332 HB2 TYR 46 HB2 TYR 46 6.325 -2.737 -1.318
333 HB3 TYR 46 HB1 TYR 46 7.564 -3.401 -0.263
334 HD1 TYR 46 HD1 TYR 46 3.800 -3.125 -0.542
335 HD2 TYR 46 HD2 TYR 46 7.150 -5.370 0.824
336 HE1 TYR 46 HE1 TYR 46 2.319 -4.875 0.124
337 HE2 TYR 46 HE2 TYR 46 5.683 -7.181 1.481
338 HH TYR 46 HH TYR 46 2.459 -7.389 0.474
339 H LYS 47 HN LYS 47 8.348 -1.651 2.102
340 HA LYS 47 HA LYS 47 10.033 -0.132 0.336
341 HB2 LYS 47 HB2 LYS 47 10.626 1.510 2.154
342 HB3 LYS 47 HB1 LYS 47 9.028 1.702 1.460
343 HG2 LYS 47 HG2 LYS 47 8.045 0.625 3.428
344 HG3 LYS 47 HG1 LYS 47 9.655 0.394 4.112
345 HD2 LYS 47 HD2 LYS 47 9.998 2.791 4.209
346 HD3 LYS 47 HD1 LYS 47 8.448 3.074 3.420
347 HE2 LYS 47 HE2 LYS 47 8.249 3.441 5.814
348 HE3 LYS 47 HE1 LYS 47 7.303 2.035 5.337
349 HZ1 LYS 47 HZ1 LYS 47 9.110 0.623 6.112
350 HZ2 LYS 47 HZ2 LYS 47 8.492 1.597 7.343
351 HZ3 LYS 47 HZ3 LYS 47 9.974 1.991 6.622
352 HA PRO 48 HA PRO 48 12.965 -2.934 1.999
353 HB2 PRO 48 HB2 PRO 48 15.219 -1.736 1.096
354 HB3 PRO 48 HB1 PRO 48 14.106 -2.583 -0.002
355 HG2 PRO 48 HG2 PRO 48 14.378 0.333 0.492
356 HG3 PRO 48 HG1 PRO 48 14.123 -0.537 -1.035
357 HD2 PRO 48 HD2 PRO 48 12.086 0.690 0.285
358 HD3 PRO 48 HD1 PRO 48 11.879 -0.767 -0.705
359 H CYS 49 HN CYS 49 13.263 -2.999 3.995
360 HA CYS 49 HA CYS 49 14.883 -0.969 5.351
361 HB2 CYS 49 HB2 CYS 49 13.784 -2.154 7.413
362 HB3 CYS 49 HB1 CYS 49 12.842 -0.966 6.520
363 HA PRO 50 HA PRO 50 17.971 -4.108 5.727
364 HB2 PRO 50 HB2 PRO 50 18.078 -3.806 8.678
365 HB3 PRO 50 HB1 PRO 50 19.363 -3.525 7.485
366 HG2 PRO 50 HG2 PRO 50 18.231 -1.486 8.715
367 HG3 PRO 50 HG1 PRO 50 18.664 -1.394 6.995
368 HD2 PRO 50 HD2 PRO 50 15.977 -1.827 8.223
369 HD3 PRO 50 HD1 PRO 50 16.439 -0.810 6.844
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 15.317 -5.339 4.137
2 H2 ARG 1 HT2 ARG 1 15.634 -6.563 3.036
3 H3 ARG 1 HT3 ARG 1 15.890 -6.747 4.723
4 HA ARG 1 HA ARG 1 13.690 -7.745 3.886
5 HB2 ARG 1 HB2 ARG 1 13.835 -5.665 6.046
6 HB3 ARG 1 HB1 ARG 1 12.421 -6.665 5.782
7 HG2 ARG 1 HG2 ARG 1 13.406 -8.522 6.636
8 HG3 ARG 1 HG1 ARG 1 15.027 -8.023 6.136
9 HD2 ARG 1 HD2 ARG 1 14.803 -7.884 8.580
10 HD3 ARG 1 HD1 ARG 1 15.048 -6.319 7.792
11 HE ARG 1 HE ARG 1 12.323 -7.044 8.420
12 HH11 ARG 1 HH11 ARG 1 15.245 -5.157 9.119
13 HH12 ARG 1 HH12 ARG 1 14.534 -4.098 10.222
14 HH21 ARG 1 HH21 ARG 1 11.241 -5.535 9.941
15 HH22 ARG 1 HH22 ARG 1 12.156 -4.318 10.701
16 H MET 2 HN MET 2 11.484 -7.270 3.571
17 HA MET 2 HA MET 2 10.931 -4.728 2.183
18 HB2 MET 2 HB2 MET 2 9.695 -7.476 1.971
19 HB3 MET 2 HB1 MET 2 8.995 -6.025 1.272
20 HG2 MET 2 HG2 MET 2 10.914 -5.729 -0.127
21 HG3 MET 2 HG1 MET 2 11.696 -7.132 0.604
22 HE1 MET 2 HE1 MET 2 9.291 -10.022 -0.697
23 HE2 MET 2 HE2 MET 2 9.080 -9.124 0.801
24 HE3 MET 2 HE3 MET 2 10.692 -9.645 0.307
25 H CYS 3 HN CYS 3 10.239 -3.462 3.533
26 HA CYS 3 HA CYS 3 8.635 -4.339 5.746
27 HB2 CYS 3 HB2 CYS 3 10.064 -1.892 4.964
28 HB3 CYS 3 HB1 CYS 3 8.692 -1.672 6.022
29 H LYS 4 HN LYS 4 6.591 -4.558 5.579
30 HA LYS 4 HA LYS 4 5.138 -3.286 3.423
31 HB2 LYS 4 HB2 LYS 4 4.980 -5.766 3.919
32 HB3 LYS 4 HB1 LYS 4 4.194 -5.347 5.433
33 HG2 LYS 4 HG2 LYS 4 2.356 -4.325 4.231
34 HG3 LYS 4 HG1 LYS 4 3.185 -4.611 2.707
35 HD2 LYS 4 HD2 LYS 4 1.494 -6.265 2.944
36 HD3 LYS 4 HD1 LYS 4 3.060 -7.027 3.132
37 HE2 LYS 4 HE2 LYS 4 2.802 -7.047 5.567
38 HE3 LYS 4 HE1 LYS 4 1.247 -6.230 5.418
39 HZ1 LYS 4 HZ1 LYS 4 1.825 -8.934 4.289
40 HZ2 LYS 4 HZ2 LYS 4 0.333 -8.159 4.307
41 HZ3 LYS 4 HZ3 LYS 4 1.001 -8.649 5.733
42 H THR 5 HN THR 5 4.333 -1.389 3.847
43 HA THR 5 HA THR 5 3.520 -0.642 6.565
44 HB THR 5 HB THR 5 4.723 0.850 4.259
45 HG1 THR 5 HG1 THR 5 5.644 -0.446 6.269
46 HG21 THR 5 HG21 THR 5 3.096 2.319 5.271
47 HG22 THR 5 HG22 THR 5 4.715 2.868 5.669
48 HG23 THR 5 HG23 THR 5 3.743 2.017 6.893
49 HA PRO 6 HA PRO 6 -0.565 -0.402 4.680
50 HB2 PRO 6 HB2 PRO 6 -1.799 1.072 6.633
51 HB3 PRO 6 HB1 PRO 6 -1.495 -0.673 6.764
52 HG2 PRO 6 HG2 PRO 6 0.015 1.582 7.966
53 HG3 PRO 6 HG1 PRO 6 -0.375 -0.011 8.648
54 HD2 PRO 6 HD2 PRO 6 2.071 0.581 7.641
55 HD3 PRO 6 HD1 PRO 6 1.376 -1.052 7.592
56 H SER 7 HN SER 7 -1.274 0.882 3.141
57 HA SER 7 HA SER 7 -0.337 3.422 2.487
58 HB2 SER 7 HB2 SER 7 -2.453 3.486 1.091
59 HB3 SER 7 HB1 SER 7 -1.382 2.137 0.754
60 HG SER 7 HG SER 7 -2.669 0.796 1.658
61 H GLY 8 HN GLY 8 -1.099 5.498 2.815
62 HA2 GLY 8 HA2 GLY 8 -3.038 5.784 4.966
63 HA3 GLY 8 HA1 GLY 8 -1.897 6.995 4.406
64 H LYS 9 HN LYS 9 -2.685 6.577 1.494
65 HA LYS 9 HA LYS 9 -5.284 8.039 1.674
66 HB2 LYS 9 HB2 LYS 9 -4.646 9.405 0.030
67 HB3 LYS 9 HB1 LYS 9 -3.404 9.475 1.287
68 HG2 LYS 9 HG2 LYS 9 -1.901 8.332 -0.008
69 HG3 LYS 9 HG1 LYS 9 -3.142 7.777 -1.136
70 HD2 LYS 9 HD2 LYS 9 -3.641 10.195 -1.332
71 HD3 LYS 9 HD1 LYS 9 -1.977 10.440 -0.752
72 HE2 LYS 9 HE2 LYS 9 -2.839 8.692 -2.970
73 HE3 LYS 9 HE1 LYS 9 -2.063 10.272 -3.265
74 HZ1 LYS 9 HZ1 LYS 9 -0.403 8.514 -3.459
75 HZ2 LYS 9 HZ2 LYS 9 -0.913 7.815 -2.034
76 HZ3 LYS 9 HZ3 LYS 9 -0.111 9.293 -1.984
77 H PHE 10 HN PHE 10 -4.437 5.263 1.044
78 HA PHE 10 HA PHE 10 -5.025 4.828 -1.655
79 HB2 PHE 10 HB2 PHE 10 -3.861 3.214 -0.271
80 HB3 PHE 10 HB1 PHE 10 -5.343 2.852 0.597
81 HD1 PHE 10 HD1 PHE 10 -6.760 1.177 -0.254
82 HD2 PHE 10 HD2 PHE 10 -3.876 3.070 -2.653
83 HE1 PHE 10 HE1 PHE 10 -7.278 -0.417 -2.054
84 HE2 PHE 10 HE2 PHE 10 -4.353 1.466 -4.524
85 HZ PHE 10 HZ PHE 10 -6.068 -0.274 -4.195
86 H LYS 11 HN LYS 11 -6.640 4.407 -2.730
87 HA LYS 11 HA LYS 11 -9.268 4.718 -1.537
88 HB2 LYS 11 HB2 LYS 11 -9.703 5.797 -3.989
89 HB3 LYS 11 HB1 LYS 11 -9.353 6.722 -2.547
90 HG2 LYS 11 HG2 LYS 11 -8.045 7.556 -4.419
91 HG3 LYS 11 HG1 LYS 11 -6.987 6.869 -3.203
92 HD2 LYS 11 HD2 LYS 11 -6.180 6.270 -5.407
93 HD3 LYS 11 HD1 LYS 11 -6.780 4.822 -4.609
94 HE2 LYS 11 HE2 LYS 11 -8.832 4.928 -5.902
95 HE3 LYS 11 HE1 LYS 11 -8.322 6.450 -6.635
96 HZ1 LYS 11 HZ1 LYS 11 -7.928 4.501 -8.086
97 HZ2 LYS 11 HZ2 LYS 11 -6.836 3.872 -6.957
98 HZ3 LYS 11 HZ3 LYS 11 -6.513 5.325 -7.712
99 H GLY 12 HN GLY 12 -10.426 3.003 -1.755
100 HA2 GLY 12 HA2 GLY 12 -11.861 1.743 -3.152
101 HA3 GLY 12 HA1 GLY 12 -10.630 1.789 -4.404
102 H TYR 13 HN TYR 13 -11.024 -0.443 -4.553
103 HA TYR 13 HA TYR 13 -10.147 -2.171 -2.405
104 HB2 TYR 13 HB2 TYR 13 -11.642 -2.458 -4.912
105 HB3 TYR 13 HB1 TYR 13 -10.539 -3.778 -4.552
106 HD1 TYR 13 HD1 TYR 13 -11.053 -5.369 -2.977
107 HD2 TYR 13 HD2 TYR 13 -13.439 -1.869 -3.211
108 HE1 TYR 13 HE1 TYR 13 -12.637 -6.399 -1.480
109 HE2 TYR 13 HE2 TYR 13 -15.086 -2.892 -1.681
110 HH TYR 13 HH TYR 13 -15.774 -5.127 -0.926
111 H CYS 14 HN CYS 14 -8.211 -3.221 -2.364
112 HA CYS 14 HA CYS 14 -6.389 -2.533 -4.507
113 HB2 CYS 14 HB2 CYS 14 -5.815 -2.397 -1.968
114 HB3 CYS 14 HB1 CYS 14 -5.621 -4.141 -2.079
115 H VAL 15 HN VAL 15 -8.028 -3.938 -5.626
116 HA VAL 15 HA VAL 15 -7.509 -6.726 -5.719
117 HB VAL 15 HB VAL 15 -8.647 -6.701 -7.970
118 HG11 VAL 15 HG11 VAL 15 -10.866 -6.061 -7.116
119 HG12 VAL 15 HG12 VAL 15 -10.087 -5.309 -5.722
120 HG13 VAL 15 HG13 VAL 15 -9.956 -7.046 -5.975
121 HG21 VAL 15 HG21 VAL 15 -8.947 -3.741 -7.424
122 HG22 VAL 15 HG22 VAL 15 -9.743 -4.629 -8.722
123 HG23 VAL 15 HG23 VAL 15 -7.987 -4.462 -8.715
124 H ASN 16 HN ASN 16 -6.068 -3.978 -7.279
125 HA ASN 16 HA ASN 16 -4.157 -5.766 -8.655
126 HB2 ASN 16 HB2 ASN 16 -5.689 -4.477 -10.212
127 HB3 ASN 16 HB1 ASN 16 -5.050 -2.993 -9.531
128 HD21 ASN 16 HD21 ASN 16 -4.991 -3.771 -12.269
129 HD22 ASN 16 HD22 ASN 16 -3.353 -3.924 -12.757
130 H ASN 17 HN ASN 17 -2.231 -5.596 -7.965
131 HA ASN 17 HA ASN 17 -1.319 -4.029 -5.863
132 HB2 ASN 17 HB2 ASN 17 0.249 -5.414 -8.044
133 HB3 ASN 17 HB1 ASN 17 0.977 -4.709 -6.608
134 HD21 ASN 17 HD21 ASN 17 0.832 -7.511 -7.616
135 HD22 ASN 17 HD22 ASN 17 0.136 -8.391 -6.303
136 H THR 18 HN THR 18 -1.427 -3.337 -9.249
137 HA THR 18 HA THR 18 0.475 -1.270 -9.251
138 HB THR 18 HB THR 18 -1.729 -1.975 -11.180
139 HG1 THR 18 HG1 THR 18 -0.344 -3.469 -11.522
140 HG21 THR 18 HG21 THR 18 -1.101 0.405 -11.473
141 HG22 THR 18 HG22 THR 18 -0.586 -0.587 -12.832
142 HG23 THR 18 HG23 THR 18 0.598 -0.067 -11.623
143 H ASN 19 HN ASN 19 -2.942 -1.260 -8.370
144 HA ASN 19 HA ASN 19 -3.313 1.569 -8.596
145 HB2 ASN 19 HB2 ASN 19 -5.241 -0.063 -8.544
146 HB3 ASN 19 HB1 ASN 19 -4.778 -0.502 -6.908
147 HD21 ASN 19 HD21 ASN 19 -6.893 -0.002 -6.235
148 HD22 ASN 19 HD22 ASN 19 -7.404 1.601 -5.936
149 H CYS 20 HN CYS 20 -2.579 -0.757 -6.086
150 HA CYS 20 HA CYS 20 -2.220 0.834 -3.817
151 HB2 CYS 20 HB2 CYS 20 -2.023 -1.782 -4.098
152 HB3 CYS 20 HB1 CYS 20 -0.428 -1.411 -4.587
153 H LYS 21 HN LYS 21 -0.025 -0.357 -6.241
154 HA LYS 21 HA LYS 21 2.248 0.408 -5.312
155 HB2 LYS 21 HB2 LYS 21 1.422 -0.798 -7.563
156 HB3 LYS 21 HB1 LYS 21 1.948 0.764 -8.202
157 HG2 LYS 21 HG2 LYS 21 4.169 0.397 -7.610
158 HG3 LYS 21 HG1 LYS 21 3.725 -0.970 -6.573
159 HD2 LYS 21 HD2 LYS 21 4.674 -1.744 -8.713
160 HD3 LYS 21 HD1 LYS 21 3.003 -2.257 -8.506
161 HE2 LYS 21 HE2 LYS 21 2.338 -0.250 -9.902
162 HE3 LYS 21 HE1 LYS 21 4.051 -0.027 -10.242
163 HZ1 LYS 21 HZ1 LYS 21 4.058 -2.310 -11.186
164 HZ2 LYS 21 HZ2 LYS 21 3.021 -1.260 -12.009
165 HZ3 LYS 21 HZ3 LYS 21 2.379 -2.387 -10.951
166 H ASN 22 HN ASN 22 0.158 2.119 -7.631
167 HA ASN 22 HA ASN 22 1.773 4.399 -7.982
168 HB2 ASN 22 HB2 ASN 22 -1.182 4.046 -8.461
169 HB3 ASN 22 HB1 ASN 22 -0.271 5.473 -8.935
170 HD21 ASN 22 HD21 ASN 22 -1.704 3.638 -10.622
171 HD22 ASN 22 HD22 ASN 22 -0.571 2.979 -11.737
172 H VAL 23 HN VAL 23 -0.910 3.729 -5.786
173 HA VAL 23 HA VAL 23 -0.976 6.366 -4.712
174 HB VAL 23 HB VAL 23 -1.844 3.769 -3.402
175 HG11 VAL 23 HG11 VAL 23 -1.533 5.681 -1.848
176 HG12 VAL 23 HG12 VAL 23 -3.192 5.145 -1.943
177 HG13 VAL 23 HG13 VAL 23 -2.692 6.605 -2.795
178 HG21 VAL 23 HG21 VAL 23 -3.395 5.747 -5.073
179 HG22 VAL 23 HG22 VAL 23 -4.104 4.409 -4.175
180 HG23 VAL 23 HG23 VAL 23 -2.994 4.080 -5.506
181 H CYS 24 HN CYS 24 0.725 3.456 -3.697
182 HA CYS 24 HA CYS 24 1.978 4.596 -1.471
183 HB2 CYS 24 HB2 CYS 24 2.716 2.283 -3.255
184 HB3 CYS 24 HB1 CYS 24 3.599 2.629 -1.779
185 H ARG 25 HN ARG 25 2.954 4.382 -4.839
186 HA ARG 25 HA ARG 25 5.489 5.531 -4.514
187 HB2 ARG 25 HB2 ARG 25 3.706 5.401 -6.937
188 HB3 ARG 25 HB1 ARG 25 5.389 5.926 -6.980
189 HG2 ARG 25 HG2 ARG 25 6.195 3.806 -6.382
190 HG3 ARG 25 HG1 ARG 25 4.612 3.273 -5.819
191 HD2 ARG 25 HD2 ARG 25 4.966 2.190 -7.867
192 HD3 ARG 25 HD1 ARG 25 3.827 3.509 -8.162
193 HE ARG 25 HE ARG 25 6.658 3.778 -8.663
194 HH11 ARG 25 HH11 ARG 25 3.310 3.918 -9.949
195 HH12 ARG 25 HH12 ARG 25 3.736 4.616 -11.415
196 HH21 ARG 25 HH21 ARG 25 7.242 4.746 -10.767
197 HH22 ARG 25 HH22 ARG 25 6.044 5.099 -11.920
198 H THR 26 HN THR 26 2.322 6.940 -4.876
199 HA THR 26 HA THR 26 3.376 9.599 -5.136
200 HB THR 26 HB THR 26 0.852 10.124 -4.514
201 HG1 THR 26 HG1 THR 26 0.587 7.571 -5.607
202 HG21 THR 26 HG21 THR 26 0.290 9.968 -6.904
203 HG22 THR 26 HG22 THR 26 1.723 8.961 -7.147
204 HG23 THR 26 HG23 THR 26 1.902 10.648 -6.658
205 H GLU 27 HN GLU 27 2.203 7.649 -2.546
206 HA GLU 27 HA GLU 27 2.286 9.682 -0.540
207 HB2 GLU 27 HB2 GLU 27 2.335 6.670 -0.295
208 HB3 GLU 27 HB1 GLU 27 2.486 7.707 1.120
209 HG2 GLU 27 HG2 GLU 27 0.328 8.713 0.634
210 HG3 GLU 27 HG1 GLU 27 0.241 7.765 -0.841
211 H GLY 28 HN GLY 28 4.725 7.530 -1.761
212 HA2 GLY 28 HA2 GLY 28 6.964 8.770 -1.745
213 HA3 GLY 28 HA1 GLY 28 6.688 8.887 -0.013
214 H PHE 29 HN PHE 29 5.964 6.138 -2.056
215 HA PHE 29 HA PHE 29 8.012 4.600 -0.633
216 HB2 PHE 29 HB2 PHE 29 5.257 3.757 -1.505
217 HB3 PHE 29 HB1 PHE 29 6.468 2.666 -0.848
218 HD1 PHE 29 HD1 PHE 29 6.940 2.629 1.479
219 HD2 PHE 29 HD2 PHE 29 4.134 5.380 -0.120
220 HE1 PHE 29 HE1 PHE 29 6.118 3.059 3.717
221 HE2 PHE 29 HE2 PHE 29 3.275 5.856 2.110
222 HZ PHE 29 HZ PHE 29 4.267 4.695 4.078
223 HA PRO 30 HA PRO 30 9.473 3.542 -4.676
224 HB2 PRO 30 HB2 PRO 30 10.241 0.923 -4.155
225 HB3 PRO 30 HB1 PRO 30 11.255 2.337 -3.841
226 HG2 PRO 30 HG2 PRO 30 9.659 0.727 -1.960
227 HG3 PRO 30 HG1 PRO 30 11.174 1.611 -1.696
228 HD2 PRO 30 HD2 PRO 30 8.780 2.495 -0.799
229 HD3 PRO 30 HD1 PRO 30 10.108 3.580 -1.247
230 H THR 31 HN THR 31 7.286 1.245 -2.985
231 HA THR 31 HA THR 31 5.889 0.805 -5.415
232 HB THR 31 HB THR 31 7.729 -0.727 -5.779
233 HG1 THR 31 HG1 THR 31 6.462 -2.816 -5.529
234 HG21 THR 31 HG21 THR 31 8.177 -2.615 -4.173
235 HG22 THR 31 HG22 THR 31 7.109 -1.787 -3.018
236 HG23 THR 31 HG23 THR 31 8.581 -1.009 -3.567
237 H GLY 32 HN GLY 32 4.250 -1.094 -4.883
238 HA2 GLY 32 HA2 GLY 32 3.374 -1.141 -2.180
239 HA3 GLY 32 HA1 GLY 32 2.329 -0.203 -3.257
240 H SER 33 HN SER 33 1.650 -2.575 -1.942
241 HA SER 33 HA SER 33 0.781 -4.156 -4.153
242 HB2 SER 33 HB2 SER 33 2.852 -5.054 -2.239
243 HB3 SER 33 HB1 SER 33 1.825 -6.294 -2.970
244 HG SER 33 HG SER 33 2.998 -4.340 -4.573
245 H CYS 34 HN CYS 34 -0.692 -5.964 -3.352
246 HA CYS 34 HA CYS 34 -2.386 -4.675 -1.405
247 HB2 CYS 34 HB2 CYS 34 -2.975 -6.882 -3.356
248 HB3 CYS 34 HB1 CYS 34 -4.145 -6.004 -2.369
249 H ASP 35 HN ASP 35 -3.501 -5.850 0.178
250 HA ASP 35 HA ASP 35 -2.481 -8.444 1.002
251 HB2 ASP 35 HB2 ASP 35 -1.020 -6.796 1.955
252 HB3 ASP 35 HB1 ASP 35 -2.386 -5.860 2.513
253 H PHE 36 HN PHE 36 -3.898 -9.340 2.672
254 HA PHE 36 HA PHE 36 -6.512 -8.108 2.769
255 HB2 PHE 36 HB2 PHE 36 -6.900 -9.924 1.315
256 HB3 PHE 36 HB1 PHE 36 -5.797 -10.973 2.188
257 HD1 PHE 36 HD1 PHE 36 -7.048 -12.796 2.748
258 HD2 PHE 36 HD2 PHE 36 -8.691 -8.944 3.547
259 HE1 PHE 36 HE1 PHE 36 -8.922 -13.837 3.981
260 HE2 PHE 36 HE2 PHE 36 -10.534 -9.958 4.754
261 HZ PHE 36 HZ PHE 36 -10.670 -12.419 4.982
262 H HIS 37 HN HIS 37 -6.739 -7.441 4.660
263 HA HIS 37 HA HIS 37 -6.329 -9.267 6.903
264 HB2 HIS 37 HB2 HIS 37 -4.805 -7.858 8.088
265 HB3 HIS 37 HB1 HIS 37 -4.365 -7.631 6.389
266 HD1 HIS 37 HD1 HIS 37 -5.683 -5.789 9.281
267 HD2 HIS 37 HD2 HIS 37 -4.950 -5.145 5.255
268 HE1 HIS 37 HE1 HIS 37 -5.745 -3.289 8.951
269 HE2 HIS 37 HE2 HIS 37 -4.666 -3.112 6.724
270 H VAL 38 HN VAL 38 -8.423 -7.638 5.218
271 HA VAL 38 HA VAL 38 -10.104 -6.833 7.375
272 HB VAL 38 HB VAL 38 -10.611 -4.586 6.174
273 HG11 VAL 38 HG11 VAL 38 -9.523 -4.590 8.356
274 HG12 VAL 38 HG12 VAL 38 -8.814 -3.346 7.315
275 HG13 VAL 38 HG13 VAL 38 -7.960 -4.856 7.584
276 HG21 VAL 38 HG21 VAL 38 -9.325 -5.039 4.102
277 HG22 VAL 38 HG22 VAL 38 -7.844 -5.056 5.063
278 HG23 VAL 38 HG23 VAL 38 -8.760 -3.574 4.915
279 H ALA 39 HN ALA 39 -12.274 -6.220 6.511
280 HA ALA 39 HA ALA 39 -13.018 -8.024 4.444
281 HB1 ALA 39 HB1 ALA 39 -15.298 -7.157 4.808
282 HB2 ALA 39 HB2 ALA 39 -14.649 -5.886 5.843
283 HB3 ALA 39 HB3 ALA 39 -14.530 -7.573 6.339
284 H GLY 40 HN GLY 40 -11.761 -7.306 2.831
285 HA2 GLY 40 HA2 GLY 40 -12.703 -6.000 0.750
286 HA3 GLY 40 HA1 GLY 40 -12.045 -4.680 1.729
287 H ARG 41 HN ARG 41 -10.319 -4.253 0.348
288 HA ARG 41 HA ARG 41 -8.174 -6.201 0.582
289 HB2 ARG 41 HB2 ARG 41 -9.043 -4.948 -2.036
290 HB3 ARG 41 HB1 ARG 41 -7.473 -5.734 -1.747
291 HG2 ARG 41 HG2 ARG 41 -8.409 -7.695 -1.334
292 HG3 ARG 41 HG1 ARG 41 -10.108 -7.161 -1.306
293 HD2 ARG 41 HD2 ARG 41 -9.793 -8.338 -3.342
294 HD3 ARG 41 HD1 ARG 41 -9.606 -6.652 -3.811
295 HE ARG 41 HE ARG 41 -7.151 -7.069 -3.568
296 HH11 ARG 41 HH11 ARG 41 -9.340 -9.729 -4.444
297 HH12 ARG 41 HH12 ARG 41 -8.192 -10.561 -5.375
298 HH21 ARG 41 HH21 ARG 41 -5.583 -8.199 -4.861
299 HH22 ARG 41 HH22 ARG 41 -5.968 -9.653 -5.636
300 H LYS 42 HN LYS 42 -6.404 -5.258 1.388
301 HA LYS 42 HA LYS 42 -6.503 -2.360 1.448
302 HB2 LYS 42 HB2 LYS 42 -6.772 -3.388 3.637
303 HB3 LYS 42 HB1 LYS 42 -5.333 -4.344 3.430
304 HG2 LYS 42 HG2 LYS 42 -5.018 -2.433 4.944
305 HG3 LYS 42 HG1 LYS 42 -3.940 -2.385 3.558
306 HD2 LYS 42 HD2 LYS 42 -5.282 -0.661 2.519
307 HD3 LYS 42 HD1 LYS 42 -6.505 -0.798 3.795
308 HE2 LYS 42 HE2 LYS 42 -5.064 0.025 5.409
309 HE3 LYS 42 HE1 LYS 42 -3.643 -0.131 4.384
310 HZ1 LYS 42 HZ1 LYS 42 -4.501 1.669 2.962
311 HZ2 LYS 42 HZ2 LYS 42 -4.303 2.233 4.487
312 HZ3 LYS 42 HZ3 LYS 42 -5.866 1.874 3.937
313 H CYS 43 HN CYS 43 -4.917 -1.249 0.714
314 HA CYS 43 HA CYS 43 -2.739 -2.468 -0.700
315 HB2 CYS 43 HB2 CYS 43 -3.772 -0.652 -1.753
316 HB3 CYS 43 HB1 CYS 43 -3.786 0.301 -0.284
317 H TYR 44 HN TYR 44 -0.659 -2.551 -0.044
318 HA TYR 44 HA TYR 44 0.131 -1.026 2.286
319 HB2 TYR 44 HB2 TYR 44 0.601 -3.906 1.682
320 HB3 TYR 44 HB1 TYR 44 1.719 -2.976 2.667
321 HD1 TYR 44 HD1 TYR 44 -1.819 -3.976 2.423
322 HD2 TYR 44 HD2 TYR 44 1.344 -2.720 4.929
323 HE1 TYR 44 HE1 TYR 44 -3.177 -4.507 4.358
324 HE2 TYR 44 HE2 TYR 44 0.017 -3.239 6.907
325 HH TYR 44 HH TYR 44 -2.519 -5.163 6.803
326 H CYS 45 HN CYS 45 2.026 -0.194 2.151
327 HA CYS 45 HA CYS 45 3.192 -0.101 -0.467
328 HB2 CYS 45 HB2 CYS 45 3.621 1.590 1.982
329 HB3 CYS 45 HB1 CYS 45 4.191 1.961 0.391
330 H TYR 46 HN TYR 46 5.242 -0.713 -0.823
331 HA TYR 46 HA TYR 46 6.529 -2.052 1.410
332 HB2 TYR 46 HB2 TYR 46 6.508 -2.687 -1.501
333 HB3 TYR 46 HB1 TYR 46 7.757 -3.330 -0.446
334 HD1 TYR 46 HD1 TYR 46 7.398 -5.329 0.586
335 HD2 TYR 46 HD2 TYR 46 3.981 -3.192 -0.787
336 HE1 TYR 46 HE1 TYR 46 5.990 -7.208 1.189
337 HE2 TYR 46 HE2 TYR 46 2.567 -4.999 -0.180
338 HH TYR 46 HH TYR 46 2.785 -7.497 0.110
339 H LYS 47 HN LYS 47 8.485 -1.643 1.958
340 HA LYS 47 HA LYS 47 10.126 -0.025 0.259
341 HB2 LYS 47 HB2 LYS 47 10.628 1.598 2.131
342 HB3 LYS 47 HB1 LYS 47 9.052 1.769 1.382
343 HG2 LYS 47 HG2 LYS 47 8.008 0.674 3.288
344 HG3 LYS 47 HG1 LYS 47 9.588 0.395 4.018
345 HD2 LYS 47 HD2 LYS 47 9.972 2.762 4.244
346 HD3 LYS 47 HD1 LYS 47 8.498 3.130 3.352
347 HE2 LYS 47 HE2 LYS 47 8.198 3.420 5.774
348 HE3 LYS 47 HE1 LYS 47 7.156 2.154 5.135
349 HZ1 LYS 47 HZ1 LYS 47 9.708 1.720 6.579
350 HZ2 LYS 47 HZ2 LYS 47 8.695 0.519 5.922
351 HZ3 LYS 47 HZ3 LYS 47 8.133 1.487 7.180
352 HA PRO 48 HA PRO 48 13.115 -2.737 1.958
353 HB2 PRO 48 HB2 PRO 48 15.359 -1.352 1.345
354 HB3 PRO 48 HB1 PRO 48 14.400 -2.179 0.099
355 HG2 PRO 48 HG2 PRO 48 14.433 0.704 0.818
356 HG3 PRO 48 HG1 PRO 48 14.381 -0.060 -0.786
357 HD2 PRO 48 HD2 PRO 48 12.152 0.935 0.388
358 HD3 PRO 48 HD1 PRO 48 12.136 -0.484 -0.678
359 H CYS 49 HN CYS 49 13.632 -3.029 3.880
360 HA CYS 49 HA CYS 49 14.977 -0.983 5.478
361 HB2 CYS 49 HB2 CYS 49 13.856 -2.155 7.450
362 HB3 CYS 49 HB1 CYS 49 12.795 -1.147 6.475
363 HA PRO 50 HA PRO 50 18.158 -3.988 5.682
364 HB2 PRO 50 HB2 PRO 50 18.222 -3.733 8.647
365 HB3 PRO 50 HB1 PRO 50 19.526 -3.438 7.477
366 HG2 PRO 50 HG2 PRO 50 18.367 -1.410 8.693
367 HG3 PRO 50 HG1 PRO 50 18.816 -1.314 6.977
368 HD2 PRO 50 HD2 PRO 50 16.120 -1.739 8.183
369 HD3 PRO 50 HD1 PRO 50 16.595 -0.748 6.788
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 15.812 -6.637 4.549
2 H2 ARG 1 HT2 ARG 1 15.234 -5.177 4.080
3 H3 ARG 1 HT3 ARG 1 15.212 -6.452 2.964
4 HA ARG 1 HA ARG 1 13.525 -7.543 4.235
5 HB2 ARG 1 HB2 ARG 1 14.236 -7.141 6.421
6 HB3 ARG 1 HB1 ARG 1 14.204 -5.396 6.191
7 HG2 ARG 1 HG2 ARG 1 11.797 -5.412 6.343
8 HG3 ARG 1 HG1 ARG 1 11.789 -7.179 6.423
9 HD2 ARG 1 HD2 ARG 1 13.357 -5.556 8.396
10 HD3 ARG 1 HD1 ARG 1 11.632 -5.829 8.637
11 HE ARG 1 HE ARG 1 12.040 -8.154 8.780
12 HH11 ARG 1 HH11 ARG 1 15.189 -6.378 8.708
13 HH12 ARG 1 HH12 ARG 1 15.980 -7.488 9.649
14 HH21 ARG 1 HH21 ARG 1 13.243 -9.728 10.111
15 HH22 ARG 1 HH22 ARG 1 14.881 -9.434 10.464
16 H MET 2 HN MET 2 11.419 -7.219 3.950
17 HA MET 2 HA MET 2 10.660 -4.841 2.378
18 HB2 MET 2 HB2 MET 2 9.428 -7.593 2.642
19 HB3 MET 2 HB1 MET 2 8.712 -6.268 1.736
20 HG2 MET 2 HG2 MET 2 10.472 -6.245 0.186
21 HG3 MET 2 HG1 MET 2 11.456 -7.329 1.168
22 HE1 MET 2 HE1 MET 2 7.669 -8.596 -1.180
23 HE2 MET 2 HE2 MET 2 8.345 -6.967 -1.206
24 HE3 MET 2 HE3 MET 2 7.592 -7.588 0.263
25 H CYS 3 HN CYS 3 10.038 -3.357 3.640
26 HA CYS 3 HA CYS 3 8.474 -3.922 5.997
27 HB2 CYS 3 HB2 CYS 3 9.777 -1.570 4.787
28 HB3 CYS 3 HB1 CYS 3 8.436 -1.248 5.897
29 H LYS 4 HN LYS 4 6.393 -4.205 5.864
30 HA LYS 4 HA LYS 4 4.948 -3.113 3.591
31 HB2 LYS 4 HB2 LYS 4 4.792 -5.569 4.282
32 HB3 LYS 4 HB1 LYS 4 3.951 -5.014 5.724
33 HG2 LYS 4 HG2 LYS 4 2.166 -4.085 4.354
34 HG3 LYS 4 HG1 LYS 4 3.061 -4.516 2.906
35 HD2 LYS 4 HD2 LYS 4 1.375 -6.139 3.189
36 HD3 LYS 4 HD1 LYS 4 2.919 -6.877 3.565
37 HE2 LYS 4 HE2 LYS 4 2.483 -6.630 5.975
38 HE3 LYS 4 HE1 LYS 4 0.931 -5.875 5.619
39 HZ1 LYS 4 HZ1 LYS 4 1.666 -8.687 4.919
40 HZ2 LYS 4 HZ2 LYS 4 0.209 -7.961 4.567
41 HZ3 LYS 4 HZ3 LYS 4 0.610 -8.221 6.151
42 H THR 5 HN THR 5 4.200 -1.170 3.936
43 HA THR 5 HA THR 5 3.450 -0.286 6.623
44 HB THR 5 HB THR 5 4.450 1.137 4.170
45 HG1 THR 5 HG1 THR 5 5.599 -0.096 6.147
46 HG21 THR 5 HG21 THR 5 3.727 2.304 6.878
47 HG22 THR 5 HG22 THR 5 2.925 2.599 5.315
48 HG23 THR 5 HG23 THR 5 4.571 3.152 5.570
49 HA PRO 6 HA PRO 6 -0.716 -0.105 4.875
50 HB2 PRO 6 HB2 PRO 6 -1.849 1.457 6.822
51 HB3 PRO 6 HB1 PRO 6 -1.602 -0.295 6.975
52 HG2 PRO 6 HG2 PRO 6 -0.018 1.925 8.135
53 HG3 PRO 6 HG1 PRO 6 -0.394 0.330 8.813
54 HD2 PRO 6 HD2 PRO 6 2.021 0.952 7.715
55 HD3 PRO 6 HD1 PRO 6 1.349 -0.690 7.747
56 H SER 7 HN SER 7 -1.310 1.127 3.280
57 HA SER 7 HA SER 7 -0.288 3.656 2.669
58 HB2 SER 7 HB2 SER 7 -2.177 3.636 0.974
59 HB3 SER 7 HB1 SER 7 -1.057 2.270 0.912
60 HG SER 7 HG SER 7 -2.505 0.979 1.542
61 H GLY 8 HN GLY 8 -1.110 5.682 2.826
62 HA2 GLY 8 HA2 GLY 8 -3.170 6.012 4.878
63 HA3 GLY 8 HA1 GLY 8 -1.974 7.206 4.415
64 H LYS 9 HN LYS 9 -2.644 6.826 1.408
65 HA LYS 9 HA LYS 9 -5.101 8.391 1.672
66 HB2 LYS 9 HB2 LYS 9 -4.240 9.585 -0.406
67 HB3 LYS 9 HB1 LYS 9 -3.534 10.044 1.158
68 HG2 LYS 9 HG2 LYS 9 -1.666 9.825 -0.135
69 HG3 LYS 9 HG1 LYS 9 -1.842 8.205 0.450
70 HD2 LYS 9 HD2 LYS 9 -1.823 7.550 -1.563
71 HD3 LYS 9 HD1 LYS 9 -3.465 8.213 -1.702
72 HE2 LYS 9 HE2 LYS 9 -2.082 8.971 -3.499
73 HE3 LYS 9 HE1 LYS 9 -2.492 10.325 -2.416
74 HZ1 LYS 9 HZ1 LYS 9 -0.301 10.072 -1.365
75 HZ2 LYS 9 HZ2 LYS 9 -0.083 10.364 -3.002
76 HZ3 LYS 9 HZ3 LYS 9 0.062 8.793 -2.384
77 H PHE 10 HN PHE 10 -3.813 5.809 0.630
78 HA PHE 10 HA PHE 10 -5.519 5.209 -1.573
79 HB2 PHE 10 HB2 PHE 10 -3.490 3.826 -0.739
80 HB3 PHE 10 HB1 PHE 10 -4.645 3.170 0.415
81 HD1 PHE 10 HD1 PHE 10 -6.518 1.742 -0.327
82 HD2 PHE 10 HD2 PHE 10 -3.680 3.392 -2.906
83 HE1 PHE 10 HE1 PHE 10 -7.280 0.173 -2.069
84 HE2 PHE 10 HE2 PHE 10 -4.383 1.816 -4.747
85 HZ PHE 10 HZ PHE 10 -6.214 0.206 -4.290
86 H LYS 11 HN LYS 11 -7.538 4.839 -1.530
87 HA LYS 11 HA LYS 11 -8.761 3.358 0.513
88 HB2 LYS 11 HB2 LYS 11 -10.764 5.081 0.687
89 HB3 LYS 11 HB1 LYS 11 -9.391 5.187 1.759
90 HG2 LYS 11 HG2 LYS 11 -9.273 6.765 -0.740
91 HG3 LYS 11 HG1 LYS 11 -10.426 7.325 0.493
92 HD2 LYS 11 HD2 LYS 11 -7.442 6.894 0.803
93 HD3 LYS 11 HD1 LYS 11 -8.244 8.450 0.638
94 HE2 LYS 11 HE2 LYS 11 -9.426 8.043 2.768
95 HE3 LYS 11 HE1 LYS 11 -8.590 6.504 2.938
96 HZ1 LYS 11 HZ1 LYS 11 -7.254 9.154 2.824
97 HZ2 LYS 11 HZ2 LYS 11 -6.478 7.676 3.090
98 HZ3 LYS 11 HZ3 LYS 11 -7.546 8.273 4.229
99 H GLY 12 HN GLY 12 -9.501 1.820 -0.655
100 HA2 GLY 12 HA2 GLY 12 -11.713 1.838 -2.159
101 HA3 GLY 12 HA1 GLY 12 -10.425 2.205 -3.312
102 H TYR 13 HN TYR 13 -11.343 -0.012 -4.046
103 HA TYR 13 HA TYR 13 -10.420 -2.232 -2.511
104 HB2 TYR 13 HB2 TYR 13 -12.218 -1.822 -4.700
105 HB3 TYR 13 HB1 TYR 13 -11.069 -3.096 -5.101
106 HD1 TYR 13 HD1 TYR 13 -10.854 -5.058 -3.651
107 HD2 TYR 13 HD2 TYR 13 -13.908 -2.168 -3.059
108 HE1 TYR 13 HE1 TYR 13 -12.043 -6.640 -2.267
109 HE2 TYR 13 HE2 TYR 13 -15.146 -3.749 -1.660
110 HH TYR 13 HH TYR 13 -15.298 -6.174 -1.282
111 H CYS 14 HN CYS 14 -8.365 -2.662 -2.421
112 HA CYS 14 HA CYS 14 -6.586 -2.070 -4.618
113 HB2 CYS 14 HB2 CYS 14 -6.012 -1.971 -2.092
114 HB3 CYS 14 HB1 CYS 14 -5.891 -3.719 -2.175
115 H VAL 15 HN VAL 15 -8.035 -3.475 -5.952
116 HA VAL 15 HA VAL 15 -7.849 -6.284 -5.848
117 HB VAL 15 HB VAL 15 -8.167 -4.510 -8.290
118 HG11 VAL 15 HG11 VAL 15 -9.183 -6.477 -9.366
119 HG12 VAL 15 HG12 VAL 15 -8.749 -7.456 -7.960
120 HG13 VAL 15 HG13 VAL 15 -7.487 -6.724 -8.958
121 HG21 VAL 15 HG21 VAL 15 -10.574 -4.967 -8.048
122 HG22 VAL 15 HG22 VAL 15 -9.911 -4.114 -6.655
123 HG23 VAL 15 HG23 VAL 15 -10.244 -5.843 -6.550
124 H ASN 16 HN ASN 16 -6.070 -3.992 -7.848
125 HA ASN 16 HA ASN 16 -4.052 -6.018 -8.443
126 HB2 ASN 16 HB2 ASN 16 -5.103 -5.193 -10.409
127 HB3 ASN 16 HB1 ASN 16 -5.045 -3.541 -9.840
128 HD21 ASN 16 HD21 ASN 16 -4.222 -3.003 -11.815
129 HD22 ASN 16 HD22 ASN 16 -2.575 -3.254 -12.276
130 H ASN 17 HN ASN 17 -1.972 -5.678 -8.085
131 HA ASN 17 HA ASN 17 -1.246 -4.075 -5.881
132 HB2 ASN 17 HB2 ASN 17 0.461 -5.573 -7.869
133 HB3 ASN 17 HB1 ASN 17 1.096 -4.784 -6.432
134 HD21 ASN 17 HD21 ASN 17 1.039 -7.640 -7.243
135 HD22 ASN 17 HD22 ASN 17 0.245 -8.438 -5.932
136 H THR 18 HN THR 18 -1.155 -3.543 -9.269
137 HA THR 18 HA THR 18 0.801 -1.530 -9.423
138 HB THR 18 HB THR 18 -1.612 -1.869 -11.220
139 HG1 THR 18 HG1 THR 18 -0.643 -3.867 -11.231
140 HG21 THR 18 HG21 THR 18 -0.087 -0.995 -12.951
141 HG22 THR 18 HG22 THR 18 1.187 -0.821 -11.743
142 HG23 THR 18 HG23 THR 18 -0.270 0.167 -11.634
143 H ASN 19 HN ASN 19 -2.770 -1.235 -8.614
144 HA ASN 19 HA ASN 19 -2.690 1.597 -8.835
145 HB2 ASN 19 HB2 ASN 19 -4.831 1.389 -7.372
146 HB3 ASN 19 HB1 ASN 19 -4.956 0.875 -9.060
147 HD21 ASN 19 HD21 ASN 19 -5.002 0.015 -5.729
148 HD22 ASN 19 HD22 ASN 19 -5.522 -1.616 -5.989
149 H CYS 20 HN CYS 20 -2.405 -0.738 -6.304
150 HA CYS 20 HA CYS 20 -2.241 0.896 -4.023
151 HB2 CYS 20 HB2 CYS 20 -2.167 -1.660 -4.323
152 HB3 CYS 20 HB1 CYS 20 -0.498 -1.442 -4.619
153 H LYS 21 HN LYS 21 0.022 -0.335 -6.315
154 HA LYS 21 HA LYS 21 2.292 0.306 -5.297
155 HB2 LYS 21 HB2 LYS 21 1.454 -0.782 -7.602
156 HB3 LYS 21 HB1 LYS 21 2.034 0.780 -8.167
157 HG2 LYS 21 HG2 LYS 21 4.226 0.326 -7.501
158 HG3 LYS 21 HG1 LYS 21 3.714 -1.169 -6.692
159 HD2 LYS 21 HD2 LYS 21 2.992 -2.140 -8.743
160 HD3 LYS 21 HD1 LYS 21 3.247 -0.630 -9.613
161 HE2 LYS 21 HE2 LYS 21 4.988 -2.152 -10.105
162 HE3 LYS 21 HE1 LYS 21 5.576 -0.778 -9.147
163 HZ1 LYS 21 HZ1 LYS 21 6.532 -2.917 -8.391
164 HZ2 LYS 21 HZ2 LYS 21 4.984 -3.499 -8.075
165 HZ3 LYS 21 HZ3 LYS 21 5.600 -2.222 -7.168
166 H ASN 22 HN ASN 22 0.327 2.077 -7.669
167 HA ASN 22 HA ASN 22 1.982 4.336 -8.009
168 HB2 ASN 22 HB2 ASN 22 -0.962 4.006 -8.563
169 HB3 ASN 22 HB1 ASN 22 -0.022 5.413 -9.036
170 HD21 ASN 22 HD21 ASN 22 -1.412 3.559 -10.760
171 HD22 ASN 22 HD22 ASN 22 -0.218 2.878 -11.807
172 H VAL 23 HN VAL 23 -0.824 3.763 -5.982
173 HA VAL 23 HA VAL 23 -1.000 6.362 -4.983
174 HB VAL 23 HB VAL 23 -1.837 3.736 -3.738
175 HG11 VAL 23 HG11 VAL 23 -3.257 5.125 -2.235
176 HG12 VAL 23 HG12 VAL 23 -2.603 6.546 -2.988
177 HG13 VAL 23 HG13 VAL 23 -1.545 5.508 -2.039
178 HG21 VAL 23 HG21 VAL 23 -3.299 5.838 -5.305
179 HG22 VAL 23 HG22 VAL 23 -4.087 4.584 -4.379
180 HG23 VAL 23 HG23 VAL 23 -3.041 4.131 -5.758
181 H CYS 24 HN CYS 24 0.653 3.513 -3.687
182 HA CYS 24 HA CYS 24 1.838 4.739 -1.480
183 HB2 CYS 24 HB2 CYS 24 2.543 2.303 -3.093
184 HB3 CYS 24 HB1 CYS 24 3.440 2.706 -1.645
185 H ARG 25 HN ARG 25 2.941 4.392 -4.798
186 HA ARG 25 HA ARG 25 5.498 5.457 -4.398
187 HB2 ARG 25 HB2 ARG 25 3.776 5.397 -6.878
188 HB3 ARG 25 HB1 ARG 25 5.468 5.895 -6.879
189 HG2 ARG 25 HG2 ARG 25 6.226 3.755 -6.281
190 HG3 ARG 25 HG1 ARG 25 4.623 3.242 -5.764
191 HD2 ARG 25 HD2 ARG 25 4.994 2.163 -7.804
192 HD3 ARG 25 HD1 ARG 25 3.919 3.528 -8.145
193 HE ARG 25 HE ARG 25 6.744 3.848 -8.471
194 HH11 ARG 25 HH11 ARG 25 3.560 3.530 -10.104
195 HH12 ARG 25 HH12 ARG 25 4.120 3.977 -11.617
196 HH21 ARG 25 HH21 ARG 25 7.520 4.474 -10.647
197 HH22 ARG 25 HH22 ARG 25 6.440 4.525 -11.959
198 H THR 26 HN THR 26 2.394 6.910 -4.873
199 HA THR 26 HA THR 26 3.442 9.597 -5.049
200 HB THR 26 HB THR 26 0.551 8.770 -4.629
201 HG1 THR 26 HG1 THR 26 1.509 7.734 -6.529
202 HG21 THR 26 HG21 THR 26 0.048 10.869 -5.809
203 HG22 THR 26 HG22 THR 26 1.772 11.194 -5.973
204 HG23 THR 26 HG23 THR 26 1.028 11.181 -4.375
205 H GLU 27 HN GLU 27 2.698 7.404 -2.475
206 HA GLU 27 HA GLU 27 2.376 9.516 -0.519
207 HB2 GLU 27 HB2 GLU 27 2.571 6.500 -0.155
208 HB3 GLU 27 HB1 GLU 27 2.370 7.634 1.178
209 HG2 GLU 27 HG2 GLU 27 0.291 8.412 0.104
210 HG3 GLU 27 HG1 GLU 27 0.497 7.132 -1.093
211 H GLY 28 HN GLY 28 4.850 7.516 -1.799
212 HA2 GLY 28 HA2 GLY 28 7.089 8.685 -1.655
213 HA3 GLY 28 HA1 GLY 28 6.786 8.737 0.078
214 H PHE 29 HN PHE 29 5.983 6.043 -2.010
215 HA PHE 29 HA PHE 29 8.043 4.456 -0.662
216 HB2 PHE 29 HB2 PHE 29 5.239 3.671 -1.427
217 HB3 PHE 29 HB1 PHE 29 6.441 2.554 -0.800
218 HD1 PHE 29 HD1 PHE 29 7.047 2.587 1.515
219 HD2 PHE 29 HD2 PHE 29 4.190 5.294 -0.040
220 HE1 PHE 29 HE1 PHE 29 6.356 3.101 3.778
221 HE2 PHE 29 HE2 PHE 29 3.438 5.861 2.201
222 HZ PHE 29 HZ PHE 29 4.521 4.767 4.169
223 HA PRO 30 HA PRO 30 9.368 3.376 -4.749
224 HB2 PRO 30 HB2 PRO 30 10.159 0.770 -4.229
225 HB3 PRO 30 HB1 PRO 30 11.172 2.189 -3.932
226 HG2 PRO 30 HG2 PRO 30 9.582 0.593 -2.018
227 HG3 PRO 30 HG1 PRO 30 11.124 1.438 -1.786
228 HD2 PRO 30 HD2 PRO 30 8.795 2.385 -0.837
229 HD3 PRO 30 HD1 PRO 30 10.117 3.443 -1.352
230 H THR 31 HN THR 31 7.160 1.191 -2.970
231 HA THR 31 HA THR 31 5.735 0.696 -5.365
232 HB THR 31 HB THR 31 7.514 -0.885 -5.736
233 HG1 THR 31 HG1 THR 31 5.687 -2.691 -4.744
234 HG21 THR 31 HG21 THR 31 6.983 -1.883 -2.935
235 HG22 THR 31 HG22 THR 31 8.443 -1.100 -3.528
236 HG23 THR 31 HG23 THR 31 8.019 -2.715 -4.099
237 H GLY 32 HN GLY 32 3.963 -1.009 -4.819
238 HA2 GLY 32 HA2 GLY 32 3.205 -1.073 -2.083
239 HA3 GLY 32 HA1 GLY 32 2.145 -0.152 -3.167
240 H SER 33 HN SER 33 1.423 -2.481 -1.881
241 HA SER 33 HA SER 33 0.596 -4.086 -4.084
242 HB2 SER 33 HB2 SER 33 2.637 -4.979 -2.124
243 HB3 SER 33 HB1 SER 33 1.632 -6.220 -2.899
244 HG SER 33 HG SER 33 2.760 -4.277 -4.480
245 H CYS 34 HN CYS 34 -0.965 -5.789 -3.337
246 HA CYS 34 HA CYS 34 -2.582 -4.503 -1.312
247 HB2 CYS 34 HB2 CYS 34 -3.340 -6.613 -3.312
248 HB3 CYS 34 HB1 CYS 34 -4.429 -5.639 -2.333
249 H ASP 35 HN ASP 35 -3.349 -5.534 0.435
250 HA ASP 35 HA ASP 35 -2.421 -8.254 1.021
251 HB2 ASP 35 HB2 ASP 35 -0.953 -6.602 1.972
252 HB3 ASP 35 HB1 ASP 35 -2.321 -5.742 2.647
253 H PHE 36 HN PHE 36 -3.706 -9.154 2.884
254 HA PHE 36 HA PHE 36 -6.395 -8.076 2.919
255 HB2 PHE 36 HB2 PHE 36 -6.674 -9.995 1.599
256 HB3 PHE 36 HB1 PHE 36 -5.508 -10.920 2.529
257 HD1 PHE 36 HD1 PHE 36 -8.599 -9.013 3.617
258 HD2 PHE 36 HD2 PHE 36 -6.564 -12.749 3.356
259 HE1 PHE 36 HE1 PHE 36 -10.389 -10.053 4.881
260 HE2 PHE 36 HE2 PHE 36 -8.382 -13.817 4.644
261 HZ PHE 36 HZ PHE 36 -10.298 -12.471 5.409
262 H HIS 37 HN HIS 37 -6.716 -7.300 4.764
263 HA HIS 37 HA HIS 37 -6.358 -8.996 7.105
264 HB2 HIS 37 HB2 HIS 37 -4.971 -7.494 8.331
265 HB3 HIS 37 HB1 HIS 37 -4.408 -7.319 6.664
266 HD1 HIS 37 HD1 HIS 37 -6.038 -5.413 9.368
267 HD2 HIS 37 HD2 HIS 37 -4.962 -4.919 5.406
268 HE1 HIS 37 HE1 HIS 37 -6.163 -2.931 8.921
269 HE2 HIS 37 HE2 HIS 37 -4.901 -2.790 6.789
270 H VAL 38 HN VAL 38 -8.369 -7.480 5.227
271 HA VAL 38 HA VAL 38 -10.233 -6.703 7.232
272 HB VAL 38 HB VAL 38 -10.786 -4.531 5.931
273 HG11 VAL 38 HG11 VAL 38 -9.799 -4.379 8.142
274 HG12 VAL 38 HG12 VAL 38 -9.095 -3.147 7.078
275 HG13 VAL 38 HG13 VAL 38 -8.190 -4.602 7.454
276 HG21 VAL 38 HG21 VAL 38 -9.408 -4.946 3.921
277 HG22 VAL 38 HG22 VAL 38 -7.960 -4.901 4.941
278 HG23 VAL 38 HG23 VAL 38 -8.911 -3.454 4.736
279 H ALA 39 HN ALA 39 -12.366 -6.230 6.141
280 HA ALA 39 HA ALA 39 -12.844 -8.294 4.270
281 HB1 ALA 39 HB1 ALA 39 -14.523 -7.689 5.963
282 HB2 ALA 39 HB2 ALA 39 -15.182 -7.546 4.334
283 HB3 ALA 39 HB3 ALA 39 -14.698 -6.100 5.217
284 H GLY 40 HN GLY 40 -11.492 -7.722 2.666
285 HA2 GLY 40 HA2 GLY 40 -12.296 -6.907 0.331
286 HA3 GLY 40 HA1 GLY 40 -12.019 -5.345 1.109
287 H ARG 41 HN ARG 41 -10.256 -4.735 -0.052
288 HA ARG 41 HA ARG 41 -7.840 -6.382 0.262
289 HB2 ARG 41 HB2 ARG 41 -8.697 -4.566 -1.948
290 HB3 ARG 41 HB1 ARG 41 -7.175 -5.481 -1.831
291 HG2 ARG 41 HG2 ARG 41 -9.842 -6.764 -1.783
292 HG3 ARG 41 HG1 ARG 41 -9.138 -6.280 -3.292
293 HD2 ARG 41 HD2 ARG 41 -7.766 -8.111 -1.296
294 HD3 ARG 41 HD1 ARG 41 -8.691 -8.683 -2.690
295 HE ARG 41 HE ARG 41 -6.838 -6.883 -3.656
296 HH11 ARG 41 HH11 ARG 41 -6.590 -9.926 -1.894
297 HH12 ARG 41 HH12 ARG 41 -5.231 -10.499 -2.749
298 HH21 ARG 41 HH21 ARG 41 -5.018 -7.661 -4.907
299 HH22 ARG 41 HH22 ARG 41 -4.294 -9.145 -4.525
300 H LYS 42 HN LYS 42 -6.246 -5.250 1.365
301 HA LYS 42 HA LYS 42 -6.582 -2.366 1.445
302 HB2 LYS 42 HB2 LYS 42 -6.927 -3.268 3.658
303 HB3 LYS 42 HB1 LYS 42 -5.474 -4.226 3.572
304 HG2 LYS 42 HG2 LYS 42 -5.295 -2.210 5.016
305 HG3 LYS 42 HG1 LYS 42 -4.085 -2.292 3.745
306 HD2 LYS 42 HD2 LYS 42 -5.283 -0.627 2.448
307 HD3 LYS 42 HD1 LYS 42 -6.606 -0.618 3.632
308 HE2 LYS 42 HE2 LYS 42 -5.288 0.304 5.266
309 HE3 LYS 42 HE1 LYS 42 -3.780 -0.024 4.420
310 HZ1 LYS 42 HZ1 LYS 42 -4.365 2.382 4.285
311 HZ2 LYS 42 HZ2 LYS 42 -5.813 2.034 3.504
312 HZ3 LYS 42 HZ3 LYS 42 -4.325 1.692 2.784
313 H CYS 43 HN CYS 43 -5.141 -1.252 0.557
314 HA CYS 43 HA CYS 43 -2.854 -2.317 -0.722
315 HB2 CYS 43 HB2 CYS 43 -4.051 -0.477 -1.661
316 HB3 CYS 43 HB1 CYS 43 -3.863 0.465 -0.197
317 H TYR 44 HN TYR 44 -0.785 -2.408 -0.015
318 HA TYR 44 HA TYR 44 -0.037 -0.847 2.305
319 HB2 TYR 44 HB2 TYR 44 0.445 -3.740 1.771
320 HB3 TYR 44 HB1 TYR 44 1.577 -2.792 2.722
321 HD1 TYR 44 HD1 TYR 44 -1.926 -3.864 2.541
322 HD2 TYR 44 HD2 TYR 44 1.190 -2.392 4.979
323 HE1 TYR 44 HE1 TYR 44 -3.267 -4.351 4.504
324 HE2 TYR 44 HE2 TYR 44 -0.123 -2.859 6.985
325 HH TYR 44 HH TYR 44 -2.589 -4.867 6.990
326 H CYS 45 HN CYS 45 1.930 -0.097 2.237
327 HA CYS 45 HA CYS 45 3.085 0.007 -0.393
328 HB2 CYS 45 HB2 CYS 45 3.634 1.695 2.051
329 HB3 CYS 45 HB1 CYS 45 4.107 2.044 0.424
330 H TYR 46 HN TYR 46 5.144 -0.627 -0.745
331 HA TYR 46 HA TYR 46 6.418 -2.006 1.483
332 HB2 TYR 46 HB2 TYR 46 6.273 -2.708 -1.411
333 HB3 TYR 46 HB1 TYR 46 7.524 -3.383 -0.374
334 HD1 TYR 46 HD1 TYR 46 7.083 -5.300 0.864
335 HD2 TYR 46 HD2 TYR 46 3.778 -3.123 -0.737
336 HE1 TYR 46 HE1 TYR 46 5.586 -7.080 1.536
337 HE2 TYR 46 HE2 TYR 46 2.282 -4.856 -0.048
338 HH TYR 46 HH TYR 46 2.378 -7.307 0.413
339 H LYS 47 HN LYS 47 8.423 -1.657 1.914
340 HA LYS 47 HA LYS 47 10.044 -0.102 0.116
341 HB2 LYS 47 HB2 LYS 47 10.626 1.585 1.851
342 HB3 LYS 47 HB1 LYS 47 8.963 1.690 1.306
343 HG2 LYS 47 HG2 LYS 47 8.213 0.589 3.346
344 HG3 LYS 47 HG1 LYS 47 9.874 0.402 3.889
345 HD2 LYS 47 HD2 LYS 47 10.121 2.857 3.868
346 HD3 LYS 47 HD1 LYS 47 8.418 3.001 3.435
347 HE2 LYS 47 HE2 LYS 47 8.642 3.311 5.815
348 HE3 LYS 47 HE1 LYS 47 7.846 1.766 5.513
349 HZ1 LYS 47 HZ1 LYS 47 9.537 1.549 7.225
350 HZ2 LYS 47 HZ2 LYS 47 10.721 2.137 6.177
351 HZ3 LYS 47 HZ3 LYS 47 10.007 0.652 5.872
352 HA PRO 48 HA PRO 48 13.069 -2.755 1.863
353 HB2 PRO 48 HB2 PRO 48 15.319 -1.487 1.075
354 HB3 PRO 48 HB1 PRO 48 14.271 -2.335 -0.083
355 HG2 PRO 48 HG2 PRO 48 14.477 0.571 0.463
356 HG3 PRO 48 HG1 PRO 48 14.260 -0.279 -1.080
357 HD2 PRO 48 HD2 PRO 48 12.204 0.912 0.267
358 HD3 PRO 48 HD1 PRO 48 12.013 -0.475 -0.822
359 H CYS 49 HN CYS 49 13.347 -2.866 3.869
360 HA CYS 49 HA CYS 49 14.785 -0.766 5.340
361 HB2 CYS 49 HB2 CYS 49 12.895 -2.959 6.251
362 HB3 CYS 49 HB1 CYS 49 13.765 -1.886 7.363
363 HA PRO 50 HA PRO 50 18.067 -3.862 5.763
364 HB2 PRO 50 HB2 PRO 50 17.726 -3.836 8.729
365 HB3 PRO 50 HB1 PRO 50 19.195 -3.533 7.776
366 HG2 PRO 50 HG2 PRO 50 17.982 -1.527 8.949
367 HG3 PRO 50 HG1 PRO 50 18.632 -1.351 7.307
368 HD2 PRO 50 HD2 PRO 50 15.801 -1.725 8.167
369 HD3 PRO 50 HD1 PRO 50 16.466 -0.679 6.895
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 15.897 -6.463 5.262
2 H2 ARG 1 HT2 ARG 1 15.348 -5.048 4.655
3 H3 ARG 1 HT3 ARG 1 15.501 -6.354 3.606
4 HA ARG 1 HA ARG 1 13.648 -7.428 4.687
5 HB2 ARG 1 HB2 ARG 1 13.883 -5.108 6.586
6 HB3 ARG 1 HB1 ARG 1 12.418 -6.058 6.451
7 HG2 ARG 1 HG2 ARG 1 13.523 -8.009 7.253
8 HG3 ARG 1 HG1 ARG 1 15.100 -7.214 7.159
9 HD2 ARG 1 HD2 ARG 1 14.506 -5.673 8.869
10 HD3 ARG 1 HD1 ARG 1 12.841 -6.215 8.875
11 HE ARG 1 HE ARG 1 13.512 -8.274 9.850
12 HH11 ARG 1 HH11 ARG 1 16.180 -5.943 9.715
13 HH12 ARG 1 HH12 ARG 1 17.005 -6.526 11.057
14 HH21 ARG 1 HH21 ARG 1 14.664 -9.150 11.753
15 HH22 ARG 1 HH22 ARG 1 16.120 -8.416 12.253
16 H MET 2 HN MET 2 11.484 -7.060 4.219
17 HA MET 2 HA MET 2 10.924 -4.688 2.562
18 HB2 MET 2 HB2 MET 2 9.773 -7.483 2.573
19 HB3 MET 2 HB1 MET 2 9.071 -6.137 1.692
20 HG2 MET 2 HG2 MET 2 11.017 -5.942 0.331
21 HG3 MET 2 HG1 MET 2 11.850 -7.168 1.287
22 HE1 MET 2 HE1 MET 2 11.618 -7.254 -1.923
23 HE2 MET 2 HE2 MET 2 11.240 -8.958 -2.177
24 HE3 MET 2 HE3 MET 2 12.443 -8.493 -0.976
25 H CYS 3 HN CYS 3 10.273 -3.336 3.922
26 HA CYS 3 HA CYS 3 8.535 -4.039 6.085
27 HB2 CYS 3 HB2 CYS 3 9.805 -1.554 5.086
28 HB3 CYS 3 HB1 CYS 3 8.464 -1.404 6.196
29 H LYS 4 HN LYS 4 6.490 -4.411 5.771
30 HA LYS 4 HA LYS 4 5.126 -3.209 3.511
31 HB2 LYS 4 HB2 LYS 4 4.940 -5.693 4.072
32 HB3 LYS 4 HB1 LYS 4 4.071 -5.226 5.527
33 HG2 LYS 4 HG2 LYS 4 2.303 -4.249 4.209
34 HG3 LYS 4 HG1 LYS 4 3.217 -4.539 2.738
35 HD2 LYS 4 HD2 LYS 4 1.516 -6.193 2.867
36 HD3 LYS 4 HD1 LYS 4 3.058 -6.966 3.179
37 HE2 LYS 4 HE2 LYS 4 2.595 -6.989 5.580
38 HE3 LYS 4 HE1 LYS 4 1.079 -6.130 5.313
39 HZ1 LYS 4 HZ1 LYS 4 0.781 -8.565 5.602
40 HZ2 LYS 4 HZ2 LYS 4 1.637 -8.837 4.167
41 HZ3 LYS 4 HZ3 LYS 4 0.185 -8.038 4.144
42 H THR 5 HN THR 5 4.298 -1.292 3.854
43 HA THR 5 HA THR 5 3.594 -0.391 6.550
44 HB THR 5 HB THR 5 4.326 1.054 4.019
45 HG1 THR 5 HG1 THR 5 5.854 -0.321 5.100
46 HG21 THR 5 HG21 THR 5 2.999 2.419 5.545
47 HG22 THR 5 HG22 THR 5 4.653 2.996 5.413
48 HG23 THR 5 HG23 THR 5 4.145 2.098 6.862
49 HA PRO 6 HA PRO 6 -0.588 -0.287 4.745
50 HB2 PRO 6 HB2 PRO 6 -1.550 1.261 6.983
51 HB3 PRO 6 HB1 PRO 6 -1.805 -0.462 6.629
52 HG2 PRO 6 HG2 PRO 6 -0.315 0.480 8.737
53 HG3 PRO 6 HG1 PRO 6 -0.195 -1.142 8.035
54 HD2 PRO 6 HD2 PRO 6 1.606 1.193 7.665
55 HD3 PRO 6 HD1 PRO 6 1.965 -0.546 7.664
56 H SER 7 HN SER 7 -0.887 1.045 3.074
57 HA SER 7 HA SER 7 -0.006 3.619 2.747
58 HB2 SER 7 HB2 SER 7 -2.469 2.525 1.463
59 HB3 SER 7 HB1 SER 7 -1.167 3.487 0.743
60 HG SER 7 HG SER 7 0.011 1.770 0.504
61 H GLY 8 HN GLY 8 -0.902 5.605 3.031
62 HA2 GLY 8 HA2 GLY 8 -3.071 5.731 4.958
63 HA3 GLY 8 HA1 GLY 8 -1.945 7.014 4.554
64 H LYS 9 HN LYS 9 -2.503 6.621 1.527
65 HA LYS 9 HA LYS 9 -5.029 8.102 1.732
66 HB2 LYS 9 HB2 LYS 9 -4.515 9.306 -0.071
67 HB3 LYS 9 HB1 LYS 9 -3.191 9.439 1.079
68 HG2 LYS 9 HG2 LYS 9 -1.848 8.090 -0.241
69 HG3 LYS 9 HG1 LYS 9 -3.183 7.702 -1.335
70 HD2 LYS 9 HD2 LYS 9 -3.501 10.137 -1.444
71 HD3 LYS 9 HD1 LYS 9 -1.845 10.273 -0.833
72 HE2 LYS 9 HE2 LYS 9 -2.757 8.670 -3.105
73 HE3 LYS 9 HE1 LYS 9 -1.930 10.235 -3.340
74 HZ1 LYS 9 HZ1 LYS 9 -0.329 8.408 -3.601
75 HZ2 LYS 9 HZ2 LYS 9 -0.824 7.713 -2.168
76 HZ3 LYS 9 HZ3 LYS 9 0.006 9.174 -2.133
77 H PHE 10 HN PHE 10 -4.127 5.235 1.152
78 HA PHE 10 HA PHE 10 -5.585 4.790 -1.269
79 HB2 PHE 10 HB2 PHE 10 -3.682 3.317 -0.296
80 HB3 PHE 10 HB1 PHE 10 -5.020 2.703 0.705
81 HD1 PHE 10 HD1 PHE 10 -6.697 1.239 -0.174
82 HD2 PHE 10 HD2 PHE 10 -3.849 3.130 -2.587
83 HE1 PHE 10 HE1 PHE 10 -7.412 -0.192 -2.051
84 HE2 PHE 10 HE2 PHE 10 -4.500 1.710 -4.538
85 HZ PHE 10 HZ PHE 10 -6.314 0.040 -4.251
86 H LYS 11 HN LYS 11 -7.589 4.935 -1.279
87 HA LYS 11 HA LYS 11 -9.212 3.622 0.740
88 HB2 LYS 11 HB2 LYS 11 -9.718 6.180 -0.777
89 HB3 LYS 11 HB1 LYS 11 -11.015 5.258 -0.035
90 HG2 LYS 11 HG2 LYS 11 -10.512 6.949 1.444
91 HG3 LYS 11 HG1 LYS 11 -9.735 5.476 2.085
92 HD2 LYS 11 HD2 LYS 11 -7.590 6.279 1.323
93 HD3 LYS 11 HD1 LYS 11 -8.347 7.708 0.611
94 HE2 LYS 11 HE2 LYS 11 -9.117 8.417 2.791
95 HE3 LYS 11 HE1 LYS 11 -8.435 6.971 3.528
96 HZ1 LYS 11 HZ1 LYS 11 -6.826 9.042 2.126
97 HZ2 LYS 11 HZ2 LYS 11 -6.229 7.744 3.058
98 HZ3 LYS 11 HZ3 LYS 11 -7.059 8.989 3.794
99 H GLY 12 HN GLY 12 -10.558 2.098 -0.088
100 HA2 GLY 12 HA2 GLY 12 -12.121 1.601 -1.922
101 HA3 GLY 12 HA1 GLY 12 -10.802 2.015 -3.011
102 H TYR 13 HN TYR 13 -11.150 -0.085 -3.889
103 HA TYR 13 HA TYR 13 -10.290 -2.318 -2.229
104 HB2 TYR 13 HB2 TYR 13 -11.960 -2.060 -4.636
105 HB3 TYR 13 HB1 TYR 13 -10.907 -3.466 -4.581
106 HD1 TYR 13 HD1 TYR 13 -13.871 -1.875 -3.173
107 HD2 TYR 13 HD2 TYR 13 -11.151 -5.116 -2.837
108 HE1 TYR 13 HE1 TYR 13 -15.472 -3.066 -1.727
109 HE2 TYR 13 HE2 TYR 13 -12.685 -6.312 -1.416
110 HH TYR 13 HH TYR 13 -14.661 -5.743 0.136
111 H CYS 14 HN CYS 14 -8.294 -3.012 -2.326
112 HA CYS 14 HA CYS 14 -6.627 -2.216 -4.551
113 HB2 CYS 14 HB2 CYS 14 -5.969 -2.152 -2.029
114 HB3 CYS 14 HB1 CYS 14 -5.731 -3.884 -2.205
115 H VAL 15 HN VAL 15 -8.392 -3.719 -5.559
116 HA VAL 15 HA VAL 15 -7.806 -6.485 -5.711
117 HB VAL 15 HB VAL 15 -9.076 -6.468 -7.896
118 HG11 VAL 15 HG11 VAL 15 -11.255 -5.840 -6.916
119 HG12 VAL 15 HG12 VAL 15 -10.397 -5.132 -5.544
120 HG13 VAL 15 HG13 VAL 15 -10.283 -6.861 -5.864
121 HG21 VAL 15 HG21 VAL 15 -10.248 -4.412 -8.570
122 HG22 VAL 15 HG22 VAL 15 -8.497 -4.215 -8.662
123 HG23 VAL 15 HG23 VAL 15 -9.391 -3.518 -7.314
124 H ASN 16 HN ASN 16 -6.535 -3.714 -7.270
125 HA ASN 16 HA ASN 16 -4.787 -5.357 -8.960
126 HB2 ASN 16 HB2 ASN 16 -6.207 -3.963 -10.307
127 HB3 ASN 16 HB1 ASN 16 -5.892 -2.567 -9.294
128 HD21 ASN 16 HD21 ASN 16 -5.246 -1.338 -10.967
129 HD22 ASN 16 HD22 ASN 16 -3.798 -1.561 -11.872
130 H ASN 17 HN ASN 17 -2.848 -5.464 -8.356
131 HA ASN 17 HA ASN 17 -1.695 -4.120 -6.176
132 HB2 ASN 17 HB2 ASN 17 -0.394 -5.657 -8.426
133 HB3 ASN 17 HB1 ASN 17 0.464 -5.089 -7.001
134 HD21 ASN 17 HD21 ASN 17 -0.115 -7.829 -8.043
135 HD22 ASN 17 HD22 ASN 17 -0.894 -8.626 -6.721
136 H THR 18 HN THR 18 -1.838 -3.329 -9.525
137 HA THR 18 HA THR 18 0.242 -1.449 -9.488
138 HB THR 18 HB THR 18 -2.102 -1.733 -11.379
139 HG1 THR 18 HG1 THR 18 -0.911 -3.296 -12.090
140 HG21 THR 18 HG21 THR 18 -0.785 -0.362 -12.952
141 HG22 THR 18 HG22 THR 18 0.452 -0.129 -11.716
142 HG23 THR 18 HG23 THR 18 -1.154 0.562 -11.492
143 H ASN 19 HN ASN 19 -3.171 -1.228 -8.535
144 HA ASN 19 HA ASN 19 -3.474 1.557 -8.391
145 HB2 ASN 19 HB2 ASN 19 -4.541 -0.682 -6.677
146 HB3 ASN 19 HB1 ASN 19 -4.881 0.994 -6.333
147 HD21 ASN 19 HD21 ASN 19 -6.927 0.758 -6.495
148 HD22 ASN 19 HD22 ASN 19 -7.801 0.491 -7.968
149 H CYS 20 HN CYS 20 -2.501 -0.859 -6.067
150 HA CYS 20 HA CYS 20 -1.933 0.693 -3.855
151 HB2 CYS 20 HB2 CYS 20 -1.889 -1.922 -4.272
152 HB3 CYS 20 HB1 CYS 20 -0.227 -1.587 -4.584
153 H LYS 21 HN LYS 21 0.116 -0.572 -6.409
154 HA LYS 21 HA LYS 21 2.378 0.259 -5.457
155 HB2 LYS 21 HB2 LYS 21 1.713 -1.100 -7.698
156 HB3 LYS 21 HB1 LYS 21 2.162 0.465 -8.392
157 HG2 LYS 21 HG2 LYS 21 4.349 0.341 -7.630
158 HG3 LYS 21 HG1 LYS 21 3.932 -0.984 -6.546
159 HD2 LYS 21 HD2 LYS 21 5.229 -1.809 -8.467
160 HD3 LYS 21 HD1 LYS 21 3.611 -2.486 -8.437
161 HE2 LYS 21 HE2 LYS 21 4.326 -0.104 -10.146
162 HE3 LYS 21 HE1 LYS 21 4.567 -1.755 -10.703
163 HZ1 LYS 21 HZ1 LYS 21 2.170 -2.132 -10.400
164 HZ2 LYS 21 HZ2 LYS 21 2.481 -0.916 -11.508
165 HZ3 LYS 21 HZ3 LYS 21 1.965 -0.514 -9.947
166 H ASN 22 HN ASN 22 0.103 1.956 -7.596
167 HA ASN 22 HA ASN 22 1.755 4.207 -8.101
168 HB2 ASN 22 HB2 ASN 22 -1.239 3.917 -8.402
169 HB3 ASN 22 HB1 ASN 22 -0.314 5.303 -8.954
170 HD21 ASN 22 HD21 ASN 22 -1.923 3.561 -10.530
171 HD22 ASN 22 HD22 ASN 22 -0.903 2.839 -11.716
172 H VAL 23 HN VAL 23 -0.885 3.574 -5.834
173 HA VAL 23 HA VAL 23 -0.946 6.195 -4.761
174 HB VAL 23 HB VAL 23 -1.827 3.590 -3.444
175 HG11 VAL 23 HG11 VAL 23 -2.488 6.447 -2.771
176 HG12 VAL 23 HG12 VAL 23 -1.493 5.361 -1.815
177 HG13 VAL 23 HG13 VAL 23 -3.222 5.044 -1.998
178 HG21 VAL 23 HG21 VAL 23 -4.140 4.325 -4.114
179 HG22 VAL 23 HG22 VAL 23 -3.138 3.896 -5.477
180 HG23 VAL 23 HG23 VAL 23 -3.409 5.604 -5.071
181 H CYS 24 HN CYS 24 0.824 3.303 -3.803
182 HA CYS 24 HA CYS 24 2.072 4.458 -1.579
183 HB2 CYS 24 HB2 CYS 24 2.753 2.132 -3.347
184 HB3 CYS 24 HB1 CYS 24 3.737 2.507 -1.947
185 H ARG 25 HN ARG 25 3.022 4.287 -4.952
186 HA ARG 25 HA ARG 25 5.559 5.456 -4.577
187 HB2 ARG 25 HB2 ARG 25 3.818 5.275 -7.029
188 HB3 ARG 25 HB1 ARG 25 5.470 5.891 -7.056
189 HG2 ARG 25 HG2 ARG 25 6.394 3.823 -6.555
190 HG3 ARG 25 HG1 ARG 25 4.888 3.211 -5.872
191 HD2 ARG 25 HD2 ARG 25 5.165 2.120 -7.934
192 HD3 ARG 25 HD1 ARG 25 3.913 3.331 -8.146
193 HE ARG 25 HE ARG 25 6.663 3.776 -8.930
194 HH11 ARG 25 HH11 ARG 25 3.192 3.800 -9.795
195 HH12 ARG 25 HH12 ARG 25 3.397 4.531 -11.293
196 HH21 ARG 25 HH21 ARG 25 6.952 4.802 -11.072
197 HH22 ARG 25 HH22 ARG 25 5.610 5.122 -12.064
198 H THR 26 HN THR 26 2.386 6.803 -4.965
199 HA THR 26 HA THR 26 3.391 9.478 -5.239
200 HB THR 26 HB THR 26 0.856 9.959 -4.645
201 HG1 THR 26 HG1 THR 26 0.655 7.387 -5.715
202 HG21 THR 26 HG21 THR 26 1.766 8.777 -7.257
203 HG22 THR 26 HG22 THR 26 1.919 10.475 -6.789
204 HG23 THR 26 HG23 THR 26 0.319 9.764 -7.039
205 H GLU 27 HN GLU 27 2.209 7.528 -2.629
206 HA GLU 27 HA GLU 27 2.302 9.590 -0.657
207 HB2 GLU 27 HB2 GLU 27 2.392 6.582 -0.329
208 HB3 GLU 27 HB1 GLU 27 2.517 7.666 1.052
209 HG2 GLU 27 HG2 GLU 27 0.353 8.646 0.467
210 HG3 GLU 27 HG1 GLU 27 0.290 7.556 -0.916
211 H GLY 28 HN GLY 28 4.759 7.496 -1.915
212 HA2 GLY 28 HA2 GLY 28 6.971 8.740 -1.948
213 HA3 GLY 28 HA1 GLY 28 6.714 8.934 -0.217
214 H PHE 29 HN PHE 29 6.010 6.075 -2.109
215 HA PHE 29 HA PHE 29 8.108 4.658 -0.639
216 HB2 PHE 29 HB2 PHE 29 5.370 3.707 -1.459
217 HB3 PHE 29 HB1 PHE 29 6.616 2.674 -0.777
218 HD1 PHE 29 HD1 PHE 29 4.280 5.417 -0.112
219 HD2 PHE 29 HD2 PHE 29 7.050 2.656 1.536
220 HE1 PHE 29 HE1 PHE 29 3.412 5.930 2.103
221 HE2 PHE 29 HE2 PHE 29 6.222 3.129 3.775
222 HZ PHE 29 HZ PHE 29 4.385 4.788 4.096
223 HA PRO 30 HA PRO 30 9.660 3.446 -4.601
224 HB2 PRO 30 HB2 PRO 30 10.313 0.804 -3.943
225 HB3 PRO 30 HB1 PRO 30 11.392 2.188 -3.756
226 HG2 PRO 30 HG2 PRO 30 9.827 0.757 -1.728
227 HG3 PRO 30 HG1 PRO 30 11.325 1.687 -1.555
228 HD2 PRO 30 HD2 PRO 30 8.905 2.563 -0.710
229 HD3 PRO 30 HD1 PRO 30 10.220 3.646 -1.190
230 H THR 31 HN THR 31 7.456 1.170 -2.909
231 HA THR 31 HA THR 31 6.057 0.729 -5.351
232 HB THR 31 HB THR 31 7.941 -0.791 -5.655
233 HG1 THR 31 HG1 THR 31 6.686 -2.835 -5.633
234 HG21 THR 31 HG21 THR 31 8.661 -1.113 -3.389
235 HG22 THR 31 HG22 THR 31 8.266 -2.715 -4.036
236 HG23 THR 31 HG23 THR 31 7.142 -1.875 -2.959
237 H GLY 32 HN GLY 32 4.390 -1.080 -4.872
238 HA2 GLY 32 HA2 GLY 32 3.535 -1.270 -2.132
239 HA3 GLY 32 HA1 GLY 32 2.484 -0.304 -3.173
240 H SER 33 HN SER 33 1.808 -2.722 -1.899
241 HA SER 33 HA SER 33 0.908 -4.238 -4.186
242 HB2 SER 33 HB2 SER 33 3.136 -5.277 -3.544
243 HB3 SER 33 HB1 SER 33 2.449 -5.633 -1.978
244 HG SER 33 HG SER 33 1.085 -7.093 -2.836
245 H CYS 34 HN CYS 34 -0.831 -5.750 -3.527
246 HA CYS 34 HA CYS 34 -2.367 -4.447 -1.469
247 HB2 CYS 34 HB2 CYS 34 -3.175 -6.555 -3.461
248 HB3 CYS 34 HB1 CYS 34 -4.251 -5.611 -2.436
249 H ASP 35 HN ASP 35 -3.574 -5.677 0.044
250 HA ASP 35 HA ASP 35 -2.495 -8.277 0.804
251 HB2 ASP 35 HB2 ASP 35 -1.117 -6.599 1.797
252 HB3 ASP 35 HB1 ASP 35 -2.532 -5.747 2.382
253 H PHE 36 HN PHE 36 -3.892 -9.321 2.337
254 HA PHE 36 HA PHE 36 -6.560 -8.186 2.453
255 HB2 PHE 36 HB2 PHE 36 -6.562 -10.038 0.844
256 HB3 PHE 36 HB1 PHE 36 -5.771 -11.085 2.006
257 HD1 PHE 36 HD1 PHE 36 -7.711 -12.567 1.228
258 HD2 PHE 36 HD2 PHE 36 -8.275 -9.093 3.598
259 HE1 PHE 36 HE1 PHE 36 -9.911 -13.424 1.960
260 HE2 PHE 36 HE2 PHE 36 -10.444 -9.906 4.341
261 HZ PHE 36 HZ PHE 36 -11.289 -12.099 3.518
262 H HIS 37 HN HIS 37 -6.671 -7.530 4.408
263 HA HIS 37 HA HIS 37 -6.251 -9.467 6.565
264 HB2 HIS 37 HB2 HIS 37 -4.675 -8.141 7.763
265 HB3 HIS 37 HB1 HIS 37 -4.298 -7.805 6.066
266 HD1 HIS 37 HD1 HIS 37 -5.533 -6.161 9.112
267 HD2 HIS 37 HD2 HIS 37 -4.897 -5.251 5.119
268 HE1 HIS 37 HE1 HIS 37 -5.594 -3.648 8.961
269 HE2 HIS 37 HE2 HIS 37 -4.551 -3.332 6.727
270 H VAL 38 HN VAL 38 -8.359 -7.689 5.022
271 HA VAL 38 HA VAL 38 -9.994 -7.037 7.272
272 HB VAL 38 HB VAL 38 -10.521 -4.714 6.235
273 HG11 VAL 38 HG11 VAL 38 -9.374 -4.841 8.374
274 HG12 VAL 38 HG12 VAL 38 -8.664 -3.553 7.381
275 HG13 VAL 38 HG13 VAL 38 -7.836 -5.090 7.547
276 HG21 VAL 38 HG21 VAL 38 -9.308 -5.026 4.104
277 HG22 VAL 38 HG22 VAL 38 -7.794 -5.118 5.010
278 HG23 VAL 38 HG23 VAL 38 -8.703 -3.622 4.995
279 H ALA 39 HN ALA 39 -12.187 -6.382 6.490
280 HA ALA 39 HA ALA 39 -12.960 -8.106 4.372
281 HB1 ALA 39 HB1 ALA 39 -14.436 -7.728 6.308
282 HB2 ALA 39 HB2 ALA 39 -15.241 -7.286 4.802
283 HB3 ALA 39 HB3 ALA 39 -14.592 -6.031 5.857
284 H GLY 40 HN GLY 40 -11.702 -7.300 2.769
285 HA2 GLY 40 HA2 GLY 40 -12.720 -5.954 0.738
286 HA3 GLY 40 HA1 GLY 40 -12.055 -4.658 1.743
287 H ARG 41 HN ARG 41 -10.342 -4.161 0.375
288 HA ARG 41 HA ARG 41 -8.186 -6.089 0.518
289 HB2 ARG 41 HB2 ARG 41 -9.120 -4.813 -2.061
290 HB3 ARG 41 HB1 ARG 41 -7.519 -5.553 -1.805
291 HG2 ARG 41 HG2 ARG 41 -8.425 -7.551 -1.365
292 HG3 ARG 41 HG1 ARG 41 -10.130 -7.043 -1.416
293 HD2 ARG 41 HD2 ARG 41 -9.654 -8.253 -3.422
294 HD3 ARG 41 HD1 ARG 41 -9.588 -6.553 -3.881
295 HE ARG 41 HE ARG 41 -7.134 -6.745 -3.632
296 HH11 ARG 41 HH11 ARG 41 -8.975 -9.697 -4.354
297 HH12 ARG 41 HH12 ARG 41 -7.720 -10.427 -5.235
298 HH21 ARG 41 HH21 ARG 41 -5.435 -7.732 -4.846
299 HH22 ARG 41 HH22 ARG 41 -5.631 -9.265 -5.541
300 H LYS 42 HN LYS 42 -6.429 -5.146 1.330
301 HA LYS 42 HA LYS 42 -6.536 -2.256 1.475
302 HB2 LYS 42 HB2 LYS 42 -6.681 -3.434 3.618
303 HB3 LYS 42 HB1 LYS 42 -5.239 -4.341 3.280
304 HG2 LYS 42 HG2 LYS 42 -4.860 -2.547 4.888
305 HG3 LYS 42 HG1 LYS 42 -3.890 -2.344 3.438
306 HD2 LYS 42 HD2 LYS 42 -5.373 -0.603 2.642
307 HD3 LYS 42 HD1 LYS 42 -6.472 -0.869 4.008
308 HE2 LYS 42 HE2 LYS 42 -4.865 -0.188 5.538
309 HE3 LYS 42 HE1 LYS 42 -3.578 -0.127 4.336
310 HZ1 LYS 42 HZ1 LYS 42 -4.871 1.726 3.233
311 HZ2 LYS 42 HZ2 LYS 42 -4.266 2.141 4.702
312 HZ3 LYS 42 HZ3 LYS 42 -5.914 1.761 4.562
313 H CYS 43 HN CYS 43 -4.719 -1.093 1.017
314 HA CYS 43 HA CYS 43 -2.717 -2.375 -0.651
315 HB2 CYS 43 HB2 CYS 43 -3.861 -0.475 -1.589
316 HB3 CYS 43 HB1 CYS 43 -3.541 0.479 -0.157
317 H TYR 44 HN TYR 44 -0.591 -2.364 -0.096
318 HA TYR 44 HA TYR 44 0.226 -0.948 2.283
319 HB2 TYR 44 HB2 TYR 44 0.630 -3.831 1.644
320 HB3 TYR 44 HB1 TYR 44 1.764 -2.934 2.644
321 HD1 TYR 44 HD1 TYR 44 -1.735 -3.973 2.371
322 HD2 TYR 44 HD2 TYR 44 1.331 -2.552 4.896
323 HE1 TYR 44 HE1 TYR 44 -3.132 -4.461 4.285
324 HE2 TYR 44 HE2 TYR 44 -0.034 -3.021 6.861
325 HH TYR 44 HH TYR 44 -2.507 -5.006 6.782
326 H CYS 45 HN CYS 45 2.103 -0.131 2.152
327 HA CYS 45 HA CYS 45 3.367 -0.059 -0.444
328 HB2 CYS 45 HB2 CYS 45 3.730 1.639 2.014
329 HB3 CYS 45 HB1 CYS 45 4.405 1.974 0.459
330 H TYR 46 HN TYR 46 5.417 -0.736 -0.747
331 HA TYR 46 HA TYR 46 6.654 -2.008 1.556
332 HB2 TYR 46 HB2 TYR 46 6.792 -2.721 -1.344
333 HB3 TYR 46 HB1 TYR 46 7.950 -3.339 -0.180
334 HD1 TYR 46 HD1 TYR 46 7.518 -5.349 0.809
335 HD2 TYR 46 HD2 TYR 46 4.237 -3.122 -0.717
336 HE1 TYR 46 HE1 TYR 46 6.044 -7.197 1.339
337 HE2 TYR 46 HE2 TYR 46 2.734 -4.922 -0.183
338 HH TYR 46 HH TYR 46 2.914 -7.437 0.091
339 H LYS 47 HN LYS 47 8.581 -1.558 2.158
340 HA LYS 47 HA LYS 47 10.235 0.036 0.448
341 HB2 LYS 47 HB2 LYS 47 10.705 1.710 2.268
342 HB3 LYS 47 HB1 LYS 47 9.113 1.825 1.547
343 HG2 LYS 47 HG2 LYS 47 8.135 0.739 3.498
344 HG3 LYS 47 HG1 LYS 47 9.737 0.532 4.207
345 HD2 LYS 47 HD2 LYS 47 10.035 2.944 4.308
346 HD3 LYS 47 HD1 LYS 47 8.476 3.190 3.522
347 HE2 LYS 47 HE2 LYS 47 8.299 3.535 5.931
348 HE3 LYS 47 HE1 LYS 47 7.353 2.137 5.429
349 HZ1 LYS 47 HZ1 LYS 47 9.152 0.709 6.177
350 HZ2 LYS 47 HZ2 LYS 47 8.561 1.670 7.431
351 HZ3 LYS 47 HZ3 LYS 47 10.036 2.060 6.693
352 HA PRO 48 HA PRO 48 13.224 -2.641 2.229
353 HB2 PRO 48 HB2 PRO 48 15.461 -1.326 1.452
354 HB3 PRO 48 HB1 PRO 48 14.452 -2.223 0.296
355 HG2 PRO 48 HG2 PRO 48 14.550 0.702 0.807
356 HG3 PRO 48 HG1 PRO 48 14.417 -0.175 -0.732
357 HD2 PRO 48 HD2 PRO 48 12.260 0.945 0.477
358 HD3 PRO 48 HD1 PRO 48 12.173 -0.523 -0.515
359 H CYS 49 HN CYS 49 13.478 -2.731 4.224
360 HA CYS 49 HA CYS 49 14.922 -0.633 5.674
361 HB2 CYS 49 HB2 CYS 49 13.808 -1.894 7.675
362 HB3 CYS 49 HB1 CYS 49 12.834 -0.755 6.756
363 HA PRO 50 HA PRO 50 18.146 -3.619 6.121
364 HB2 PRO 50 HB2 PRO 50 18.104 -3.383 9.082
365 HB3 PRO 50 HB1 PRO 50 19.430 -3.018 7.956
366 HG2 PRO 50 HG2 PRO 50 18.149 -1.060 9.174
367 HG3 PRO 50 HG1 PRO 50 18.655 -0.911 7.477
368 HD2 PRO 50 HD2 PRO 50 15.939 -1.488 8.573
369 HD3 PRO 50 HD1 PRO 50 16.416 -0.425 7.234
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 15.343 -5.022 4.484
2 H2 ARG 1 HT2 ARG 1 15.584 -6.396 3.543
3 H3 ARG 1 HT3 ARG 1 15.903 -6.366 5.221
4 HA ARG 1 HA ARG 1 13.690 -7.417 4.573
5 HB2 ARG 1 HB2 ARG 1 13.978 -5.184 6.564
6 HB3 ARG 1 HB1 ARG 1 12.478 -6.082 6.408
7 HG2 ARG 1 HG2 ARG 1 13.559 -8.116 7.066
8 HG3 ARG 1 HG1 ARG 1 15.144 -7.338 7.014
9 HD2 ARG 1 HD2 ARG 1 14.566 -5.902 8.834
10 HD3 ARG 1 HD1 ARG 1 12.906 -6.464 8.828
11 HE ARG 1 HE ARG 1 13.601 -8.559 9.667
12 HH11 ARG 1 HH11 ARG 1 16.294 -6.241 9.565
13 HH12 ARG 1 HH12 ARG 1 17.185 -6.951 10.797
14 HH21 ARG 1 HH21 ARG 1 14.854 -9.603 11.412
15 HH22 ARG 1 HH22 ARG 1 16.346 -8.928 11.882
16 H MET 2 HN MET 2 11.628 -7.175 3.929
17 HA MET 2 HA MET 2 10.991 -4.751 2.392
18 HB2 MET 2 HB2 MET 2 9.872 -7.566 2.395
19 HB3 MET 2 HB1 MET 2 9.174 -6.228 1.490
20 HG2 MET 2 HG2 MET 2 11.065 -6.035 0.126
21 HG3 MET 2 HG1 MET 2 12.011 -7.130 1.137
22 HE1 MET 2 HE1 MET 2 8.517 -8.417 -1.614
23 HE2 MET 2 HE2 MET 2 9.107 -6.760 -1.477
24 HE3 MET 2 HE3 MET 2 8.264 -7.512 -0.124
25 H CYS 3 HN CYS 3 10.268 -3.375 3.729
26 HA CYS 3 HA CYS 3 8.553 -4.122 5.905
27 HB2 CYS 3 HB2 CYS 3 9.869 -1.674 4.940
28 HB3 CYS 3 HB1 CYS 3 8.451 -1.451 5.975
29 H LYS 4 HN LYS 4 6.520 -4.495 5.595
30 HA LYS 4 HA LYS 4 5.148 -3.262 3.362
31 HB2 LYS 4 HB2 LYS 4 4.956 -5.743 3.882
32 HB3 LYS 4 HB1 LYS 4 4.133 -5.301 5.370
33 HG2 LYS 4 HG2 LYS 4 2.323 -4.312 4.131
34 HG3 LYS 4 HG1 LYS 4 3.201 -4.552 2.628
35 HD2 LYS 4 HD2 LYS 4 1.509 -6.223 2.780
36 HD3 LYS 4 HD1 LYS 4 3.079 -6.973 2.973
37 HE2 LYS 4 HE2 LYS 4 2.771 -7.095 5.396
38 HE3 LYS 4 HE1 LYS 4 1.218 -6.273 5.252
39 HZ1 LYS 4 HZ1 LYS 4 1.040 -8.737 5.465
40 HZ2 LYS 4 HZ2 LYS 4 1.757 -8.899 3.934
41 HZ3 LYS 4 HZ3 LYS 4 0.292 -8.136 4.112
42 H THR 5 HN THR 5 4.375 -1.332 3.759
43 HA THR 5 HA THR 5 3.734 -0.468 6.479
44 HB THR 5 HB THR 5 4.393 1.017 3.947
45 HG1 THR 5 HG1 THR 5 5.963 -0.384 4.954
46 HG21 THR 5 HG21 THR 5 4.815 2.920 5.409
47 HG22 THR 5 HG22 THR 5 4.262 1.988 6.818
48 HG23 THR 5 HG23 THR 5 3.142 2.387 5.496
49 HA PRO 6 HA PRO 6 -0.497 -0.304 4.821
50 HB2 PRO 6 HB2 PRO 6 -1.333 1.283 7.091
51 HB3 PRO 6 HB1 PRO 6 -1.677 -0.423 6.729
52 HG2 PRO 6 HG2 PRO 6 -0.091 0.405 8.801
53 HG3 PRO 6 HG1 PRO 6 -0.022 -1.195 8.045
54 HD2 PRO 6 HD2 PRO 6 1.798 1.129 7.676
55 HD3 PRO 6 HD1 PRO 6 2.139 -0.614 7.643
56 H SER 7 HN SER 7 -0.788 1.022 3.138
57 HA SER 7 HA SER 7 0.092 3.590 2.780
58 HB2 SER 7 HB2 SER 7 -2.395 2.497 1.541
59 HB3 SER 7 HB1 SER 7 -1.092 3.435 0.795
60 HG SER 7 HG SER 7 0.026 1.711 0.524
61 H GLY 8 HN GLY 8 -0.825 5.576 3.014
62 HA2 GLY 8 HA2 GLY 8 -2.979 5.736 4.968
63 HA3 GLY 8 HA1 GLY 8 -1.850 7.012 4.552
64 H LYS 9 HN LYS 9 -2.388 6.653 1.546
65 HA LYS 9 HA LYS 9 -4.845 8.167 1.802
66 HB2 LYS 9 HB2 LYS 9 -4.327 9.338 -0.138
67 HB3 LYS 9 HB1 LYS 9 -3.128 9.517 1.128
68 HG2 LYS 9 HG2 LYS 9 -1.789 7.865 -0.051
69 HG3 LYS 9 HG1 LYS 9 -2.906 7.984 -1.413
70 HD2 LYS 9 HD2 LYS 9 -2.751 10.380 -1.152
71 HD3 LYS 9 HD1 LYS 9 -1.399 10.061 -0.053
72 HE2 LYS 9 HE2 LYS 9 -0.469 8.603 -1.773
73 HE3 LYS 9 HE1 LYS 9 -1.656 9.248 -2.883
74 HZ1 LYS 9 HZ1 LYS 9 -0.731 11.478 -2.687
75 HZ2 LYS 9 HZ2 LYS 9 0.637 10.473 -2.928
76 HZ3 LYS 9 HZ3 LYS 9 0.248 10.992 -1.412
77 H PHE 10 HN PHE 10 -4.007 5.312 1.123
78 HA PHE 10 HA PHE 10 -5.574 4.888 -1.232
79 HB2 PHE 10 HB2 PHE 10 -3.536 3.518 -0.440
80 HB3 PHE 10 HB1 PHE 10 -4.701 2.780 0.666
81 HD1 PHE 10 HD1 PHE 10 -6.490 1.340 -0.155
82 HD2 PHE 10 HD2 PHE 10 -3.731 3.265 -2.663
83 HE1 PHE 10 HE1 PHE 10 -7.223 -0.129 -1.990
84 HE2 PHE 10 HE2 PHE 10 -4.428 1.782 -4.586
85 HZ PHE 10 HZ PHE 10 -6.187 0.091 -4.216
86 H LYS 11 HN LYS 11 -7.582 4.577 -1.189
87 HA LYS 11 HA LYS 11 -8.886 3.141 0.877
88 HB2 LYS 11 HB2 LYS 11 -10.798 4.930 1.008
89 HB3 LYS 11 HB1 LYS 11 -9.403 5.072 2.049
90 HG2 LYS 11 HG2 LYS 11 -9.370 6.509 -0.553
91 HG3 LYS 11 HG1 LYS 11 -10.402 7.166 0.734
92 HD2 LYS 11 HD2 LYS 11 -7.423 6.630 0.870
93 HD3 LYS 11 HD1 LYS 11 -8.167 8.209 0.641
94 HE2 LYS 11 HE2 LYS 11 -9.231 8.016 2.853
95 HE3 LYS 11 HE1 LYS 11 -8.477 6.442 3.085
96 HZ1 LYS 11 HZ1 LYS 11 -7.286 8.253 4.190
97 HZ2 LYS 11 HZ2 LYS 11 -6.964 8.973 2.694
98 HZ3 LYS 11 HZ3 LYS 11 -6.311 7.470 3.075
99 H GLY 12 HN GLY 12 -9.669 1.619 -0.240
100 HA2 GLY 12 HA2 GLY 12 -11.853 1.592 -1.723
101 HA3 GLY 12 HA1 GLY 12 -10.610 2.010 -2.908
102 H TYR 13 HN TYR 13 -11.299 -0.141 -3.758
103 HA TYR 13 HA TYR 13 -10.347 -2.410 -2.254
104 HB2 TYR 13 HB2 TYR 13 -11.984 -2.040 -4.664
105 HB3 TYR 13 HB1 TYR 13 -10.947 -3.459 -4.668
106 HD1 TYR 13 HD1 TYR 13 -11.145 -5.114 -2.870
107 HD2 TYR 13 HD2 TYR 13 -13.959 -1.968 -3.318
108 HE1 TYR 13 HE1 TYR 13 -12.687 -6.353 -1.489
109 HE2 TYR 13 HE2 TYR 13 -15.564 -3.201 -1.913
110 HH TYR 13 HH TYR 13 -14.725 -5.846 -0.014
111 H CYS 14 HN CYS 14 -8.328 -3.053 -2.264
112 HA CYS 14 HA CYS 14 -6.605 -2.235 -4.438
113 HB2 CYS 14 HB2 CYS 14 -6.006 -2.242 -1.892
114 HB3 CYS 14 HB1 CYS 14 -5.759 -3.966 -2.119
115 H VAL 15 HN VAL 15 -8.322 -3.714 -5.533
116 HA VAL 15 HA VAL 15 -7.761 -6.469 -5.714
117 HB VAL 15 HB VAL 15 -8.940 -6.411 -7.951
118 HG11 VAL 15 HG11 VAL 15 -10.205 -6.829 -5.948
119 HG12 VAL 15 HG12 VAL 15 -11.147 -5.789 -7.018
120 HG13 VAL 15 HG13 VAL 15 -10.319 -5.104 -5.619
121 HG21 VAL 15 HG21 VAL 15 -9.258 -3.470 -7.319
122 HG22 VAL 15 HG22 VAL 15 -10.077 -4.332 -8.621
123 HG23 VAL 15 HG23 VAL 15 -8.323 -4.145 -8.652
124 H ASN 16 HN ASN 16 -6.418 -3.724 -7.413
125 HA ASN 16 HA ASN 16 -4.578 -5.546 -8.819
126 HB2 ASN 16 HB2 ASN 16 -6.035 -4.060 -10.270
127 HB3 ASN 16 HB1 ASN 16 -5.260 -2.670 -9.530
128 HD21 ASN 16 HD21 ASN 16 -5.306 -3.337 -12.311
129 HD22 ASN 16 HD22 ASN 16 -3.688 -3.596 -12.826
130 H ASN 17 HN ASN 17 -2.658 -5.590 -8.069
131 HA ASN 17 HA ASN 17 -1.631 -4.143 -5.924
132 HB2 ASN 17 HB2 ASN 17 -0.147 -5.629 -8.099
133 HB3 ASN 17 HB1 ASN 17 0.583 -5.073 -6.601
134 HD21 ASN 17 HD21 ASN 17 0.229 -7.800 -7.710
135 HD22 ASN 17 HD22 ASN 17 -0.638 -8.656 -6.480
136 H THR 18 HN THR 18 -1.600 -3.440 -9.297
137 HA THR 18 HA THR 18 0.454 -1.520 -9.229
138 HB THR 18 HB THR 18 -1.701 -2.112 -11.249
139 HG1 THR 18 HG1 THR 18 -0.345 -3.629 -11.589
140 HG21 THR 18 HG21 THR 18 -1.019 0.254 -11.509
141 HG22 THR 18 HG22 THR 18 -0.464 -0.735 -12.854
142 HG23 THR 18 HG23 THR 18 0.676 -0.244 -11.594
143 H ASN 19 HN ASN 19 -2.951 -1.300 -8.348
144 HA ASN 19 HA ASN 19 -3.120 1.545 -8.662
145 HB2 ASN 19 HB2 ASN 19 -5.148 -0.011 -8.600
146 HB3 ASN 19 HB1 ASN 19 -4.780 -0.268 -6.892
147 HD21 ASN 19 HD21 ASN 19 -6.807 0.579 -6.275
148 HD22 ASN 19 HD22 ASN 19 -7.087 2.286 -6.341
149 H CYS 20 HN CYS 20 -2.534 -0.814 -6.156
150 HA CYS 20 HA CYS 20 -2.185 0.767 -3.878
151 HB2 CYS 20 HB2 CYS 20 -2.036 -1.845 -4.194
152 HB3 CYS 20 HB1 CYS 20 -0.411 -1.489 -4.617
153 H LYS 21 HN LYS 21 -0.006 -0.472 -6.288
154 HA LYS 21 HA LYS 21 2.271 0.295 -5.360
155 HB2 LYS 21 HB2 LYS 21 1.450 -0.954 -7.585
156 HB3 LYS 21 HB1 LYS 21 1.941 0.610 -8.249
157 HG2 LYS 21 HG2 LYS 21 4.171 0.298 -7.667
158 HG3 LYS 21 HG1 LYS 21 3.757 -1.071 -6.620
159 HD2 LYS 21 HD2 LYS 21 4.707 -1.833 -8.775
160 HD3 LYS 21 HD1 LYS 21 3.053 -2.388 -8.532
161 HE2 LYS 21 HE2 LYS 21 2.313 -0.407 -9.926
162 HE3 LYS 21 HE1 LYS 21 4.014 -0.145 -10.302
163 HZ1 LYS 21 HZ1 LYS 21 4.054 -2.431 -11.233
164 HZ2 LYS 21 HZ2 LYS 21 2.959 -1.419 -12.036
165 HZ3 LYS 21 HZ3 LYS 21 2.385 -2.553 -10.947
166 H ASN 22 HN ASN 22 0.137 1.965 -7.670
167 HA ASN 22 HA ASN 22 1.678 4.263 -8.136
168 HB2 ASN 22 HB2 ASN 22 -1.307 3.882 -8.383
169 HB3 ASN 22 HB1 ASN 22 -0.452 5.321 -8.916
170 HD21 ASN 22 HD21 ASN 22 -2.005 3.509 -10.488
171 HD22 ASN 22 HD22 ASN 22 -0.962 2.867 -11.703
172 H VAL 23 HN VAL 23 -0.988 3.709 -5.870
173 HA VAL 23 HA VAL 23 -0.999 6.301 -4.836
174 HB VAL 23 HB VAL 23 -1.819 3.720 -3.471
175 HG11 VAL 23 HG11 VAL 23 -3.178 5.167 -1.999
176 HG12 VAL 23 HG12 VAL 23 -2.479 6.578 -2.793
177 HG13 VAL 23 HG13 VAL 23 -1.452 5.506 -1.843
178 HG21 VAL 23 HG21 VAL 23 -3.362 5.735 -5.101
179 HG22 VAL 23 HG22 VAL 23 -4.120 4.551 -4.063
180 HG23 VAL 23 HG23 VAL 23 -3.141 4.002 -5.441
181 H CYS 24 HN CYS 24 0.683 3.406 -3.693
182 HA CYS 24 HA CYS 24 2.027 4.548 -1.538
183 HB2 CYS 24 HB2 CYS 24 2.640 2.200 -3.304
184 HB3 CYS 24 HB1 CYS 24 3.664 2.570 -1.932
185 H ARG 25 HN ARG 25 2.995 4.296 -4.911
186 HA ARG 25 HA ARG 25 5.544 5.416 -4.585
187 HB2 ARG 25 HB2 ARG 25 3.734 5.305 -6.992
188 HB3 ARG 25 HB1 ARG 25 5.408 5.849 -7.056
189 HG2 ARG 25 HG2 ARG 25 6.253 3.736 -6.547
190 HG3 ARG 25 HG1 ARG 25 4.714 3.178 -5.895
191 HD2 ARG 25 HD2 ARG 25 4.998 2.117 -7.991
192 HD3 ARG 25 HD1 ARG 25 3.774 3.375 -8.170
193 HE ARG 25 HE ARG 25 6.540 3.775 -8.899
194 HH11 ARG 25 HH11 ARG 25 3.094 3.820 -9.867
195 HH12 ARG 25 HH12 ARG 25 3.344 4.574 -11.343
196 HH21 ARG 25 HH21 ARG 25 6.896 4.828 -11.025
197 HH22 ARG 25 HH22 ARG 25 5.578 5.163 -12.045
198 H THR 26 HN THR 26 2.375 6.784 -4.953
199 HA THR 26 HA THR 26 3.365 9.474 -5.259
200 HB THR 26 HB THR 26 0.485 8.627 -4.759
201 HG1 THR 26 HG1 THR 26 1.359 7.536 -6.612
202 HG21 THR 26 HG21 THR 26 -0.056 10.682 -5.979
203 HG22 THR 26 HG22 THR 26 1.658 11.014 -6.209
204 HG23 THR 26 HG23 THR 26 0.965 11.062 -4.591
205 H GLU 27 HN GLU 27 2.513 7.378 -2.574
206 HA GLU 27 HA GLU 27 2.302 9.524 -0.683
207 HB2 GLU 27 HB2 GLU 27 2.617 6.530 -0.286
208 HB3 GLU 27 HB1 GLU 27 2.599 7.655 1.071
209 HG2 GLU 27 HG2 GLU 27 0.381 8.433 0.313
210 HG3 GLU 27 HG1 GLU 27 0.444 7.197 -0.941
211 H GLY 28 HN GLY 28 4.823 7.428 -1.797
212 HA2 GLY 28 HA2 GLY 28 7.009 8.781 -1.867
213 HA3 GLY 28 HA1 GLY 28 6.755 8.911 -0.129
214 H PHE 29 HN PHE 29 6.035 6.105 -2.094
215 HA PHE 29 HA PHE 29 8.132 4.650 -0.669
216 HB2 PHE 29 HB2 PHE 29 5.364 3.767 -1.456
217 HB3 PHE 29 HB1 PHE 29 6.595 2.673 -0.851
218 HD1 PHE 29 HD1 PHE 29 4.327 5.411 -0.035
219 HD2 PHE 29 HD2 PHE 29 7.142 2.615 1.463
220 HE1 PHE 29 HE1 PHE 29 3.537 5.881 2.219
221 HE2 PHE 29 HE2 PHE 29 6.403 3.042 3.737
222 HZ PHE 29 HZ PHE 29 4.576 4.699 4.154
223 HA PRO 30 HA PRO 30 9.667 3.501 -4.658
224 HB2 PRO 30 HB2 PRO 30 10.299 0.841 -4.018
225 HB3 PRO 30 HB1 PRO 30 11.394 2.217 -3.847
226 HG2 PRO 30 HG2 PRO 30 9.845 0.803 -1.788
227 HG3 PRO 30 HG1 PRO 30 11.350 1.723 -1.638
228 HD2 PRO 30 HD2 PRO 30 8.956 2.615 -0.760
229 HD3 PRO 30 HD1 PRO 30 10.264 3.691 -1.277
230 H THR 31 HN THR 31 7.457 1.224 -2.988
231 HA THR 31 HA THR 31 6.024 0.829 -5.417
232 HB THR 31 HB THR 31 7.903 -0.686 -5.782
233 HG1 THR 31 HG1 THR 31 6.689 -2.696 -5.892
234 HG21 THR 31 HG21 THR 31 8.253 -2.648 -4.236
235 HG22 THR 31 HG22 THR 31 7.146 -1.848 -3.100
236 HG23 THR 31 HG23 THR 31 8.654 -1.075 -3.543
237 H GLY 32 HN GLY 32 4.390 -1.076 -4.918
238 HA2 GLY 32 HA2 GLY 32 3.549 -1.242 -2.179
239 HA3 GLY 32 HA1 GLY 32 2.486 -0.286 -3.219
240 H SER 33 HN SER 33 1.706 -2.648 -1.977
241 HA SER 33 HA SER 33 0.821 -4.146 -4.251
242 HB2 SER 33 HB2 SER 33 3.107 -5.151 -3.662
243 HB3 SER 33 HB1 SER 33 2.397 -5.643 -2.139
244 HG SER 33 HG SER 33 2.286 -7.322 -3.661
245 H CYS 34 HN CYS 34 -0.739 -5.923 -3.427
246 HA CYS 34 HA CYS 34 -2.311 -4.545 -1.412
247 HB2 CYS 34 HB2 CYS 34 -3.161 -6.586 -3.453
248 HB3 CYS 34 HB1 CYS 34 -4.221 -5.683 -2.378
249 H ASP 35 HN ASP 35 -3.556 -5.768 0.063
250 HA ASP 35 HA ASP 35 -2.569 -8.409 0.825
251 HB2 ASP 35 HB2 ASP 35 -1.143 -6.768 1.861
252 HB3 ASP 35 HB1 ASP 35 -2.533 -5.865 2.412
253 H PHE 36 HN PHE 36 -4.093 -9.364 2.415
254 HA PHE 36 HA PHE 36 -6.684 -8.048 2.465
255 HB2 PHE 36 HB2 PHE 36 -6.601 -10.009 0.828
256 HB3 PHE 36 HB1 PHE 36 -6.242 -11.042 2.202
257 HD1 PHE 36 HD1 PHE 36 -8.183 -9.808 4.209
258 HD2 PHE 36 HD2 PHE 36 -8.644 -10.875 0.122
259 HE1 PHE 36 HE1 PHE 36 -10.562 -10.133 4.601
260 HE2 PHE 36 HE2 PHE 36 -11.066 -11.211 0.486
261 HZ PHE 36 HZ PHE 36 -12.034 -10.852 2.725
262 H HIS 37 HN HIS 37 -6.732 -7.451 4.458
263 HA HIS 37 HA HIS 37 -6.413 -9.506 6.523
264 HB2 HIS 37 HB2 HIS 37 -4.816 -8.264 7.803
265 HB3 HIS 37 HB1 HIS 37 -4.387 -7.939 6.114
266 HD1 HIS 37 HD1 HIS 37 -5.624 -6.244 9.136
267 HD2 HIS 37 HD2 HIS 37 -4.811 -5.368 5.172
268 HE1 HIS 37 HE1 HIS 37 -5.547 -3.732 8.992
269 HE2 HIS 37 HE2 HIS 37 -4.402 -3.479 6.795
270 H VAL 38 HN VAL 38 -8.429 -7.659 5.035
271 HA VAL 38 HA VAL 38 -10.073 -6.996 7.264
272 HB VAL 38 HB VAL 38 -10.516 -4.641 6.253
273 HG11 VAL 38 HG11 VAL 38 -8.660 -3.546 7.435
274 HG12 VAL 38 HG12 VAL 38 -7.839 -5.096 7.563
275 HG13 VAL 38 HG13 VAL 38 -9.380 -4.844 8.395
276 HG21 VAL 38 HG21 VAL 38 -8.680 -3.597 5.010
277 HG22 VAL 38 HG22 VAL 38 -9.279 -5.011 4.124
278 HG23 VAL 38 HG23 VAL 38 -7.790 -5.107 5.056
279 H ALA 39 HN ALA 39 -12.238 -6.406 6.497
280 HA ALA 39 HA ALA 39 -13.003 -8.048 4.346
281 HB1 ALA 39 HB1 ALA 39 -14.637 -5.966 5.814
282 HB2 ALA 39 HB2 ALA 39 -14.482 -7.662 6.276
283 HB3 ALA 39 HB3 ALA 39 -15.279 -7.228 4.762
284 H GLY 40 HN GLY 40 -11.790 -7.283 2.739
285 HA2 GLY 40 HA2 GLY 40 -12.780 -5.946 0.692
286 HA3 GLY 40 HA1 GLY 40 -12.096 -4.644 1.679
287 H ARG 41 HN ARG 41 -10.330 -4.165 0.420
288 HA ARG 41 HA ARG 41 -8.214 -6.133 0.557
289 HB2 ARG 41 HB2 ARG 41 -9.110 -4.832 -2.027
290 HB3 ARG 41 HB1 ARG 41 -7.508 -5.575 -1.774
291 HG2 ARG 41 HG2 ARG 41 -8.436 -7.579 -1.347
292 HG3 ARG 41 HG1 ARG 41 -10.134 -7.054 -1.427
293 HD2 ARG 41 HD2 ARG 41 -9.641 -8.246 -3.437
294 HD3 ARG 41 HD1 ARG 41 -9.540 -6.543 -3.879
295 HE ARG 41 HE ARG 41 -7.108 -6.755 -3.632
296 HH11 ARG 41 HH11 ARG 41 -8.925 -9.750 -4.230
297 HH12 ARG 41 HH12 ARG 41 -7.656 -10.514 -5.060
298 HH21 ARG 41 HH21 ARG 41 -5.390 -7.787 -4.777
299 HH22 ARG 41 HH22 ARG 41 -5.564 -9.354 -5.395
300 H LYS 42 HN LYS 42 -6.405 -5.211 1.349
301 HA LYS 42 HA LYS 42 -6.511 -2.320 1.549
302 HB2 LYS 42 HB2 LYS 42 -6.669 -3.483 3.685
303 HB3 LYS 42 HB1 LYS 42 -5.262 -4.441 3.348
304 HG2 LYS 42 HG2 LYS 42 -4.825 -2.663 4.963
305 HG3 LYS 42 HG1 LYS 42 -3.840 -2.498 3.519
306 HD2 LYS 42 HD2 LYS 42 -5.261 -0.699 2.716
307 HD3 LYS 42 HD1 LYS 42 -6.359 -0.918 4.088
308 HE2 LYS 42 HE2 LYS 42 -4.730 -0.279 5.612
309 HE3 LYS 42 HE1 LYS 42 -3.432 -0.315 4.422
310 HZ1 LYS 42 HZ1 LYS 42 -5.684 1.686 4.519
311 HZ2 LYS 42 HZ2 LYS 42 -4.527 1.595 3.292
312 HZ3 LYS 42 HZ3 LYS 42 -4.050 2.013 4.808
313 H CYS 43 HN CYS 43 -4.766 -1.145 1.011
314 HA CYS 43 HA CYS 43 -2.730 -2.383 -0.641
315 HB2 CYS 43 HB2 CYS 43 -3.881 -0.488 -1.549
316 HB3 CYS 43 HB1 CYS 43 -3.603 0.443 -0.093
317 H TYR 44 HN TYR 44 -0.597 -2.339 -0.120
318 HA TYR 44 HA TYR 44 0.243 -0.964 2.276
319 HB2 TYR 44 HB2 TYR 44 0.658 -3.831 1.577
320 HB3 TYR 44 HB1 TYR 44 1.792 -2.945 2.586
321 HD1 TYR 44 HD1 TYR 44 1.334 -2.525 4.841
322 HD2 TYR 44 HD2 TYR 44 -1.660 -4.114 2.328
323 HE1 TYR 44 HE1 TYR 44 -0.009 -3.040 6.811
324 HE2 TYR 44 HE2 TYR 44 -3.042 -4.639 4.250
325 HH TYR 44 HH TYR 44 -2.391 -5.148 6.745
326 H CYS 45 HN CYS 45 2.145 -0.151 2.132
327 HA CYS 45 HA CYS 45 3.354 -0.036 -0.491
328 HB2 CYS 45 HB2 CYS 45 3.815 1.618 1.990
329 HB3 CYS 45 HB1 CYS 45 4.429 1.973 0.415
330 H TYR 46 HN TYR 46 5.433 -0.678 -0.841
331 HA TYR 46 HA TYR 46 6.694 -2.030 1.409
332 HB2 TYR 46 HB2 TYR 46 6.748 -2.681 -1.504
333 HB3 TYR 46 HB1 TYR 46 7.957 -3.314 -0.396
334 HD1 TYR 46 HD1 TYR 46 7.565 -5.349 0.574
335 HD2 TYR 46 HD2 TYR 46 4.235 -3.088 -0.794
336 HE1 TYR 46 HE1 TYR 46 6.103 -7.207 1.115
337 HE2 TYR 46 HE2 TYR 46 2.744 -4.905 -0.251
338 HH TYR 46 HH TYR 46 2.871 -7.372 0.007
339 H LYS 47 HN LYS 47 8.650 -1.628 1.966
340 HA LYS 47 HA LYS 47 10.301 0.037 0.304
341 HB2 LYS 47 HB2 LYS 47 10.731 1.688 2.117
342 HB3 LYS 47 HB1 LYS 47 9.088 1.743 1.504
343 HG2 LYS 47 HG2 LYS 47 8.283 0.575 3.468
344 HG3 LYS 47 HG1 LYS 47 9.922 0.367 4.068
345 HD2 LYS 47 HD2 LYS 47 10.151 2.825 4.182
346 HD3 LYS 47 HD1 LYS 47 8.466 2.979 3.687
347 HE2 LYS 47 HE2 LYS 47 8.609 3.168 6.093
348 HE3 LYS 47 HE1 LYS 47 7.809 1.652 5.674
349 HZ1 LYS 47 HZ1 LYS 47 9.924 0.490 6.067
350 HZ2 LYS 47 HZ2 LYS 47 9.433 1.321 7.440
351 HZ3 LYS 47 HZ3 LYS 47 10.662 1.946 6.471
352 HA PRO 48 HA PRO 48 13.299 -2.595 2.197
353 HB2 PRO 48 HB2 PRO 48 15.557 -1.237 1.626
354 HB3 PRO 48 HB1 PRO 48 14.623 -2.056 0.355
355 HG2 PRO 48 HG2 PRO 48 14.693 0.827 1.052
356 HG3 PRO 48 HG1 PRO 48 14.642 0.049 -0.543
357 HD2 PRO 48 HD2 PRO 48 12.435 1.108 0.656
358 HD3 PRO 48 HD1 PRO 48 12.387 -0.246 -0.489
359 H CYS 49 HN CYS 49 13.522 -2.802 4.172
360 HA CYS 49 HA CYS 49 14.752 -0.722 5.862
361 HB2 CYS 49 HB2 CYS 49 12.929 -3.056 6.522
362 HB3 CYS 49 HB1 CYS 49 13.699 -2.030 7.748
363 HA PRO 50 HA PRO 50 18.140 -3.632 6.123
364 HB2 PRO 50 HB2 PRO 50 18.125 -3.567 9.084
365 HB3 PRO 50 HB1 PRO 50 19.398 -3.021 7.972
366 HG2 PRO 50 HG2 PRO 50 17.979 -1.270 9.362
367 HG3 PRO 50 HG1 PRO 50 18.487 -0.938 7.693
368 HD2 PRO 50 HD2 PRO 50 15.811 -1.801 8.698
369 HD3 PRO 50 HD1 PRO 50 16.218 -0.588 7.466
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 15.620 -6.620 5.368
2 H2 ARG 1 HT2 ARG 1 15.098 -5.198 4.763
3 H3 ARG 1 HT3 ARG 1 15.155 -6.525 3.732
4 HA ARG 1 HA ARG 1 13.313 -7.516 4.919
5 HB2 ARG 1 HB2 ARG 1 13.707 -5.163 6.753
6 HB3 ARG 1 HB1 ARG 1 12.204 -6.066 6.708
7 HG2 ARG 1 HG2 ARG 1 13.300 -8.048 7.479
8 HG3 ARG 1 HG1 ARG 1 14.886 -7.286 7.316
9 HD2 ARG 1 HD2 ARG 1 14.375 -5.710 9.036
10 HD3 ARG 1 HD1 ARG 1 12.714 -6.263 9.129
11 HE ARG 1 HE ARG 1 13.440 -8.304 10.093
12 HH11 ARG 1 HH11 ARG 1 16.109 -5.987 9.768
13 HH12 ARG 1 HH12 ARG 1 17.018 -6.579 11.049
14 HH21 ARG 1 HH21 ARG 1 14.713 -9.186 11.908
15 HH22 ARG 1 HH22 ARG 1 16.205 -8.463 12.304
16 H MET 2 HN MET 2 11.163 -7.128 4.433
17 HA MET 2 HA MET 2 10.673 -4.747 2.783
18 HB2 MET 2 HB2 MET 2 9.334 -7.448 2.892
19 HB3 MET 2 HB1 MET 2 8.683 -6.074 2.012
20 HG2 MET 2 HG2 MET 2 10.665 -6.006 0.629
21 HG3 MET 2 HG1 MET 2 11.345 -7.358 1.527
22 HE1 MET 2 HE1 MET 2 8.663 -9.196 1.889
23 HE2 MET 2 HE2 MET 2 10.245 -9.842 1.454
24 HE3 MET 2 HE3 MET 2 8.830 -10.251 0.485
25 H CYS 3 HN CYS 3 9.940 -3.277 3.888
26 HA CYS 3 HA CYS 3 8.293 -3.766 6.208
27 HB2 CYS 3 HB2 CYS 3 9.682 -1.469 5.009
28 HB3 CYS 3 HB1 CYS 3 8.296 -1.090 6.040
29 H LYS 4 HN LYS 4 6.237 -4.059 5.999
30 HA LYS 4 HA LYS 4 4.855 -3.009 3.672
31 HB2 LYS 4 HB2 LYS 4 4.690 -5.453 4.425
32 HB3 LYS 4 HB1 LYS 4 3.806 -4.870 5.828
33 HG2 LYS 4 HG2 LYS 4 2.040 -4.036 4.429
34 HG3 LYS 4 HG1 LYS 4 2.985 -4.383 2.994
35 HD2 LYS 4 HD2 LYS 4 1.336 -6.079 3.176
36 HD3 LYS 4 HD1 LYS 4 2.888 -6.789 3.555
37 HE2 LYS 4 HE2 LYS 4 2.384 -6.678 5.952
38 HE3 LYS 4 HE1 LYS 4 0.822 -5.939 5.590
39 HZ1 LYS 4 HZ1 LYS 4 0.628 -8.360 5.986
40 HZ2 LYS 4 HZ2 LYS 4 1.620 -8.659 4.645
41 HZ3 LYS 4 HZ3 LYS 4 0.137 -7.959 4.444
42 H THR 5 HN THR 5 4.089 -1.037 3.935
43 HA THR 5 HA THR 5 3.376 -0.009 6.590
44 HB THR 5 HB THR 5 4.251 1.303 4.030
45 HG1 THR 5 HG1 THR 5 5.583 -0.036 5.620
46 HG21 THR 5 HG21 THR 5 2.862 2.797 5.334
47 HG22 THR 5 HG22 THR 5 4.541 3.322 5.351
48 HG23 THR 5 HG23 THR 5 3.854 2.517 6.780
49 HA PRO 6 HA PRO 6 -0.814 0.151 4.797
50 HB2 PRO 6 HB2 PRO 6 -1.747 1.843 6.925
51 HB3 PRO 6 HB1 PRO 6 -2.002 0.106 6.713
52 HG2 PRO 6 HG2 PRO 6 -0.475 1.229 8.714
53 HG3 PRO 6 HG1 PRO 6 -0.417 -0.460 8.183
54 HD2 PRO 6 HD2 PRO 6 1.474 1.748 7.599
55 HD3 PRO 6 HD1 PRO 6 1.751 -0.001 7.716
56 H SER 7 HN SER 7 -1.182 1.391 3.070
57 HA SER 7 HA SER 7 -0.324 3.978 2.613
58 HB2 SER 7 HB2 SER 7 -2.722 2.648 1.420
59 HB3 SER 7 HB1 SER 7 -1.577 3.735 0.630
60 HG SER 7 HG SER 7 -0.118 2.196 0.543
61 H GLY 8 HN GLY 8 -1.456 5.963 2.611
62 HA2 GLY 8 HA2 GLY 8 -3.756 5.984 4.445
63 HA3 GLY 8 HA1 GLY 8 -2.553 7.256 4.337
64 H LYS 9 HN LYS 9 -2.651 7.057 1.281
65 HA LYS 9 HA LYS 9 -5.088 8.715 1.063
66 HB2 LYS 9 HB2 LYS 9 -4.065 9.873 -0.615
67 HB3 LYS 9 HB1 LYS 9 -3.055 9.877 0.827
68 HG2 LYS 9 HG2 LYS 9 -1.658 8.220 -0.159
69 HG3 LYS 9 HG1 LYS 9 -2.621 8.219 -1.634
70 HD2 LYS 9 HD2 LYS 9 -2.428 10.679 -1.368
71 HD3 LYS 9 HD1 LYS 9 -0.969 10.279 -0.438
72 HE2 LYS 9 HE2 LYS 9 -0.398 8.693 -2.301
73 HE3 LYS 9 HE1 LYS 9 -1.655 9.487 -3.214
74 HZ1 LYS 9 HZ1 LYS 9 0.764 10.851 -2.131
75 HZ2 LYS 9 HZ2 LYS 9 -0.478 11.630 -2.969
76 HZ3 LYS 9 HZ3 LYS 9 0.508 10.502 -3.753
77 H PHE 10 HN PHE 10 -4.540 5.841 0.685
78 HA PHE 10 HA PHE 10 -4.897 5.251 -2.053
79 HB2 PHE 10 HB2 PHE 10 -3.915 3.703 -0.380
80 HB3 PHE 10 HB1 PHE 10 -5.526 3.479 0.297
81 HD1 PHE 10 HD1 PHE 10 -6.849 1.764 -0.552
82 HD2 PHE 10 HD2 PHE 10 -3.739 3.461 -2.822
83 HE1 PHE 10 HE1 PHE 10 -7.301 0.118 -2.319
84 HE2 PHE 10 HE2 PHE 10 -4.155 1.792 -4.653
85 HZ PHE 10 HZ PHE 10 -5.947 0.131 -4.375
86 H LYS 11 HN LYS 11 -6.547 4.732 -3.193
87 HA LYS 11 HA LYS 11 -9.187 5.102 -2.089
88 HB2 LYS 11 HB2 LYS 11 -9.667 6.322 -4.389
89 HB3 LYS 11 HB1 LYS 11 -9.029 7.214 -3.016
90 HG2 LYS 11 HG2 LYS 11 -7.921 7.908 -5.029
91 HG3 LYS 11 HG1 LYS 11 -6.774 7.033 -4.025
92 HD2 LYS 11 HD2 LYS 11 -7.082 5.046 -5.419
93 HD3 LYS 11 HD1 LYS 11 -8.250 5.915 -6.409
94 HE2 LYS 11 HE2 LYS 11 -6.538 7.522 -7.012
95 HE3 LYS 11 HE1 LYS 11 -5.365 6.657 -6.017
96 HZ1 LYS 11 HZ1 LYS 11 -6.745 5.557 -8.420
97 HZ2 LYS 11 HZ2 LYS 11 -5.642 4.703 -7.477
98 HZ3 LYS 11 HZ3 LYS 11 -5.131 6.045 -8.355
99 H GLY 12 HN GLY 12 -10.652 3.712 -2.736
100 HA2 GLY 12 HA2 GLY 12 -11.784 2.339 -4.276
101 HA3 GLY 12 HA1 GLY 12 -10.323 2.267 -5.248
102 H TYR 13 HN TYR 13 -11.506 -0.048 -4.932
103 HA TYR 13 HA TYR 13 -10.581 -1.479 -2.654
104 HB2 TYR 13 HB2 TYR 13 -12.389 -1.907 -4.793
105 HB3 TYR 13 HB1 TYR 13 -11.186 -3.194 -4.853
106 HD1 TYR 13 HD1 TYR 13 -11.115 -4.887 -3.196
107 HD2 TYR 13 HD2 TYR 13 -13.728 -1.571 -2.761
108 HE1 TYR 13 HE1 TYR 13 -12.225 -6.022 -1.347
109 HE2 TYR 13 HE2 TYR 13 -14.858 -2.675 -0.921
110 HH TYR 13 HH TYR 13 -15.187 -4.972 -0.022
111 H CYS 14 HN CYS 14 -8.680 -2.494 -2.428
112 HA CYS 14 HA CYS 14 -6.745 -2.122 -4.526
113 HB2 CYS 14 HB2 CYS 14 -6.391 -1.888 -1.916
114 HB3 CYS 14 HB1 CYS 14 -6.108 -3.618 -1.996
115 H VAL 15 HN VAL 15 -8.219 -3.579 -5.792
116 HA VAL 15 HA VAL 15 -7.547 -6.385 -5.485
117 HB VAL 15 HB VAL 15 -8.907 -6.762 -7.549
118 HG11 VAL 15 HG11 VAL 15 -11.085 -6.182 -6.560
119 HG12 VAL 15 HG12 VAL 15 -10.262 -5.136 -5.401
120 HG13 VAL 15 HG13 VAL 15 -9.977 -6.875 -5.375
121 HG21 VAL 15 HG21 VAL 15 -8.513 -4.616 -8.672
122 HG22 VAL 15 HG22 VAL 15 -9.416 -3.780 -7.408
123 HG23 VAL 15 HG23 VAL 15 -10.241 -4.911 -8.480
124 H ASN 16 HN ASN 16 -6.458 -3.649 -7.194
125 HA ASN 16 HA ASN 16 -4.610 -5.317 -8.748
126 HB2 ASN 16 HB2 ASN 16 -6.025 -4.104 -10.288
127 HB3 ASN 16 HB1 ASN 16 -5.782 -2.603 -9.411
128 HD21 ASN 16 HD21 ASN 16 -5.127 -1.624 -11.355
129 HD22 ASN 16 HD22 ASN 16 -3.569 -1.894 -12.039
130 H ASN 17 HN ASN 17 -2.744 -5.360 -8.021
131 HA ASN 17 HA ASN 17 -1.688 -3.881 -5.912
132 HB2 ASN 17 HB2 ASN 17 -0.273 -5.513 -8.024
133 HB3 ASN 17 HB1 ASN 17 0.524 -4.851 -6.605
134 HD21 ASN 17 HD21 ASN 17 0.025 -7.645 -7.522
135 HD22 ASN 17 HD22 ASN 17 -0.775 -8.393 -6.188
136 H THR 18 HN THR 18 -1.553 -3.274 -9.352
137 HA THR 18 HA THR 18 0.565 -1.425 -9.365
138 HB THR 18 HB THR 18 -1.801 -1.536 -11.252
139 HG1 THR 18 HG1 THR 18 -1.114 -3.521 -11.613
140 HG21 THR 18 HG21 THR 18 -0.219 0.343 -11.584
141 HG22 THR 18 HG22 THR 18 -0.130 -0.814 -12.911
142 HG23 THR 18 HG23 THR 18 1.116 -0.805 -11.663
143 H ASN 19 HN ASN 19 -2.883 -1.097 -8.468
144 HA ASN 19 HA ASN 19 -3.025 1.763 -8.774
145 HB2 ASN 19 HB2 ASN 19 -5.100 0.314 -8.760
146 HB3 ASN 19 HB1 ASN 19 -4.734 -0.094 -7.086
147 HD21 ASN 19 HD21 ASN 19 -6.742 0.675 -6.438
148 HD22 ASN 19 HD22 ASN 19 -7.092 2.338 -6.244
149 H CYS 20 HN CYS 20 -2.619 -0.558 -6.191
150 HA CYS 20 HA CYS 20 -2.266 1.052 -3.929
151 HB2 CYS 20 HB2 CYS 20 -2.227 -1.599 -4.296
152 HB3 CYS 20 HB1 CYS 20 -0.560 -1.294 -4.518
153 H LYS 21 HN LYS 21 -0.121 -0.273 -6.300
154 HA LYS 21 HA LYS 21 2.220 0.293 -5.328
155 HB2 LYS 21 HB2 LYS 21 1.283 -0.805 -7.593
156 HB3 LYS 21 HB1 LYS 21 1.934 0.722 -8.191
157 HG2 LYS 21 HG2 LYS 21 4.100 0.182 -7.549
158 HG3 LYS 21 HG1 LYS 21 3.535 -1.261 -6.683
159 HD2 LYS 21 HD2 LYS 21 2.749 -2.269 -8.689
160 HD3 LYS 21 HD1 LYS 21 3.052 -0.800 -9.613
161 HE2 LYS 21 HE2 LYS 21 4.712 -2.417 -10.069
162 HE3 LYS 21 HE1 LYS 21 5.376 -1.024 -9.187
163 HZ1 LYS 21 HZ1 LYS 21 4.687 -3.660 -7.963
164 HZ2 LYS 21 HZ2 LYS 21 5.418 -2.373 -7.148
165 HZ3 LYS 21 HZ3 LYS 21 6.252 -3.187 -8.362
166 H ASN 22 HN ASN 22 0.332 2.082 -7.753
167 HA ASN 22 HA ASN 22 2.045 4.272 -8.094
168 HB2 ASN 22 HB2 ASN 22 -0.903 4.038 -8.649
169 HB3 ASN 22 HB1 ASN 22 0.072 5.421 -9.116
170 HD21 ASN 22 HD21 ASN 22 -1.344 3.599 -10.860
171 HD22 ASN 22 HD22 ASN 22 -0.157 2.892 -11.895
172 H VAL 23 HN VAL 23 -0.717 3.816 -5.967
173 HA VAL 23 HA VAL 23 -0.771 6.465 -5.047
174 HB VAL 23 HB VAL 23 -1.669 3.931 -3.625
175 HG11 VAL 23 HG11 VAL 23 -2.960 5.387 -2.178
176 HG12 VAL 23 HG12 VAL 23 -2.378 6.799 -3.053
177 HG13 VAL 23 HG13 VAL 23 -1.257 5.841 -2.088
178 HG21 VAL 23 HG21 VAL 23 -3.899 4.633 -4.394
179 HG22 VAL 23 HG22 VAL 23 -2.798 4.318 -5.743
180 HG23 VAL 23 HG23 VAL 23 -3.155 5.982 -5.256
181 H CYS 24 HN CYS 24 0.742 3.577 -3.669
182 HA CYS 24 HA CYS 24 2.086 4.771 -1.564
183 HB2 CYS 24 HB2 CYS 24 2.666 2.332 -3.223
184 HB3 CYS 24 HB1 CYS 24 3.626 2.705 -1.807
185 H ARG 25 HN ARG 25 3.079 4.344 -4.913
186 HA ARG 25 HA ARG 25 5.686 5.325 -4.618
187 HB2 ARG 25 HB2 ARG 25 3.896 5.280 -7.042
188 HB3 ARG 25 HB1 ARG 25 5.607 5.691 -7.095
189 HG2 ARG 25 HG2 ARG 25 6.268 3.529 -6.441
190 HG3 ARG 25 HG1 ARG 25 4.637 3.107 -5.921
191 HD2 ARG 25 HD2 ARG 25 4.959 1.990 -7.952
192 HD3 ARG 25 HD1 ARG 25 3.950 3.405 -8.304
193 HE ARG 25 HE ARG 25 6.788 3.559 -8.627
194 HH11 ARG 25 HH11 ARG 25 3.590 3.454 -10.251
195 HH12 ARG 25 HH12 ARG 25 4.171 3.891 -11.760
196 HH21 ARG 25 HH21 ARG 25 7.594 4.173 -10.798
197 HH22 ARG 25 HH22 ARG 25 6.515 4.307 -12.104
198 H THR 26 HN THR 26 2.619 6.903 -5.101
199 HA THR 26 HA THR 26 3.835 9.504 -5.410
200 HB THR 26 HB THR 26 0.871 8.953 -5.017
201 HG1 THR 26 HG1 THR 26 1.793 7.687 -6.795
202 HG21 THR 26 HG21 THR 26 2.348 11.120 -6.531
203 HG22 THR 26 HG22 THR 26 1.617 11.321 -4.943
204 HG23 THR 26 HG23 THR 26 0.598 10.988 -6.346
205 H GLU 27 HN GLU 27 2.806 7.528 -2.729
206 HA GLU 27 HA GLU 27 2.631 9.735 -0.885
207 HB2 GLU 27 HB2 GLU 27 2.855 6.743 -0.360
208 HB3 GLU 27 HB1 GLU 27 2.616 7.951 0.900
209 HG2 GLU 27 HG2 GLU 27 0.523 8.600 -0.122
210 HG3 GLU 27 HG1 GLU 27 0.774 7.403 -1.392
211 H GLY 28 HN GLY 28 5.017 7.374 -1.822
212 HA2 GLY 28 HA2 GLY 28 7.294 8.612 -1.904
213 HA3 GLY 28 HA1 GLY 28 7.027 8.751 -0.171
214 H PHE 29 HN PHE 29 6.244 6.017 -2.261
215 HA PHE 29 HA PHE 29 8.217 4.423 -0.796
216 HB2 PHE 29 HB2 PHE 29 5.409 3.653 -1.565
217 HB3 PHE 29 HB1 PHE 29 6.592 2.550 -0.881
218 HD1 PHE 29 HD1 PHE 29 4.387 5.374 -0.245
219 HD2 PHE 29 HD2 PHE 29 7.117 2.608 1.439
220 HE1 PHE 29 HE1 PHE 29 3.590 6.003 1.965
221 HE2 PHE 29 HE2 PHE 29 6.373 3.188 3.676
222 HZ PHE 29 HZ PHE 29 4.582 4.916 3.978
223 HA PRO 30 HA PRO 30 9.557 3.102 -4.811
224 HB2 PRO 30 HB2 PRO 30 10.155 0.460 -4.145
225 HB3 PRO 30 HB1 PRO 30 11.271 1.818 -3.956
226 HG2 PRO 30 HG2 PRO 30 9.640 0.447 -1.914
227 HG3 PRO 30 HG1 PRO 30 11.203 1.266 -1.755
228 HD2 PRO 30 HD2 PRO 30 8.884 2.315 -0.873
229 HD3 PRO 30 HD1 PRO 30 10.249 3.306 -1.412
230 H THR 31 HN THR 31 7.276 1.034 -2.995
231 HA THR 31 HA THR 31 5.786 0.581 -5.378
232 HB THR 31 HB THR 31 7.498 -1.094 -5.722
233 HG1 THR 31 HG1 THR 31 5.603 -2.817 -4.735
234 HG21 THR 31 HG21 THR 31 8.398 -1.333 -3.518
235 HG22 THR 31 HG22 THR 31 7.845 -2.943 -4.018
236 HG23 THR 31 HG23 THR 31 6.880 -1.961 -2.907
237 H GLY 32 HN GLY 32 3.929 -1.012 -4.819
238 HA2 GLY 32 HA2 GLY 32 3.155 -1.008 -2.079
239 HA3 GLY 32 HA1 GLY 32 2.132 -0.073 -3.190
240 H SER 33 HN SER 33 1.330 -2.369 -1.854
241 HA SER 33 HA SER 33 0.513 -4.017 -4.040
242 HB2 SER 33 HB2 SER 33 2.509 -4.875 -2.033
243 HB3 SER 33 HB1 SER 33 1.497 -6.131 -2.766
244 HG SER 33 HG SER 33 2.664 -4.242 -4.395
245 H CYS 34 HN CYS 34 -1.158 -5.586 -3.380
246 HA CYS 34 HA CYS 34 -2.744 -4.350 -1.294
247 HB2 CYS 34 HB2 CYS 34 -3.527 -6.258 -3.481
248 HB3 CYS 34 HB1 CYS 34 -4.616 -5.395 -2.405
249 H ASP 35 HN ASP 35 -3.394 -5.396 0.434
250 HA ASP 35 HA ASP 35 -2.448 -8.143 0.890
251 HB2 ASP 35 HB2 ASP 35 -1.152 -6.424 1.940
252 HB3 ASP 35 HB1 ASP 35 -2.620 -5.717 2.597
253 H PHE 36 HN PHE 36 -3.748 -9.320 2.446
254 HA PHE 36 HA PHE 36 -6.487 -8.358 2.612
255 HB2 PHE 36 HB2 PHE 36 -6.134 -10.328 1.039
256 HB3 PHE 36 HB1 PHE 36 -5.570 -11.247 2.421
257 HD1 PHE 36 HD1 PHE 36 -7.622 -10.420 4.473
258 HD2 PHE 36 HD2 PHE 36 -8.027 -11.451 0.372
259 HE1 PHE 36 HE1 PHE 36 -9.904 -11.181 4.915
260 HE2 PHE 36 HE2 PHE 36 -10.337 -12.214 0.790
261 HZ PHE 36 HZ PHE 36 -11.278 -12.094 3.064
262 H HIS 37 HN HIS 37 -6.592 -7.747 4.667
263 HA HIS 37 HA HIS 37 -5.840 -9.706 6.710
264 HB2 HIS 37 HB2 HIS 37 -4.470 -8.173 7.989
265 HB3 HIS 37 HB1 HIS 37 -4.076 -7.895 6.288
266 HD1 HIS 37 HD1 HIS 37 -5.676 -6.185 9.155
267 HD2 HIS 37 HD2 HIS 37 -4.636 -5.527 5.218
268 HE1 HIS 37 HE1 HIS 37 -5.712 -3.652 8.835
269 HE2 HIS 37 HE2 HIS 37 -4.441 -3.501 6.731
270 H VAL 38 HN VAL 38 -8.206 -8.335 5.343
271 HA VAL 38 HA VAL 38 -9.934 -8.038 7.577
272 HB VAL 38 HB VAL 38 -10.797 -5.778 6.707
273 HG11 VAL 38 HG11 VAL 38 -9.564 -5.853 8.799
274 HG12 VAL 38 HG12 VAL 38 -9.175 -4.384 7.899
275 HG13 VAL 38 HG13 VAL 38 -8.039 -5.737 7.920
276 HG21 VAL 38 HG21 VAL 38 -9.689 -5.768 4.535
277 HG22 VAL 38 HG22 VAL 38 -8.121 -5.762 5.309
278 HG23 VAL 38 HG23 VAL 38 -9.172 -4.350 5.458
279 H ALA 39 HN ALA 39 -12.177 -7.688 6.661
280 HA ALA 39 HA ALA 39 -12.506 -9.268 4.333
281 HB1 ALA 39 HB1 ALA 39 -14.917 -8.818 4.608
282 HB2 ALA 39 HB2 ALA 39 -14.546 -7.601 5.830
283 HB3 ALA 39 HB3 ALA 39 -14.182 -9.299 6.139
284 H GLY 40 HN GLY 40 -11.235 -8.119 2.944
285 HA2 GLY 40 HA2 GLY 40 -12.201 -6.772 0.897
286 HA3 GLY 40 HA1 GLY 40 -11.950 -5.471 2.072
287 H ARG 41 HN ARG 41 -10.316 -4.668 0.605
288 HA ARG 41 HA ARG 41 -7.815 -6.191 0.788
289 HB2 ARG 41 HB2 ARG 41 -8.729 -4.266 -1.315
290 HB3 ARG 41 HB1 ARG 41 -7.252 -5.233 -1.297
291 HG2 ARG 41 HG2 ARG 41 -9.994 -6.397 -1.296
292 HG3 ARG 41 HG1 ARG 41 -9.170 -6.000 -2.750
293 HD2 ARG 41 HD2 ARG 41 -8.110 -7.891 -0.620
294 HD3 ARG 41 HD1 ARG 41 -8.886 -8.405 -2.116
295 HE ARG 41 HE ARG 41 -6.925 -6.893 -3.055
296 HH11 ARG 41 HH11 ARG 41 -6.759 -9.352 -0.519
297 HH12 ARG 41 HH12 ARG 41 -5.208 -9.916 -0.928
298 HH21 ARG 41 HH21 ARG 41 -4.808 -7.714 -3.695
299 HH22 ARG 41 HH22 ARG 41 -4.044 -8.926 -2.786
300 H LYS 42 HN LYS 42 -6.155 -5.077 1.769
301 HA LYS 42 HA LYS 42 -6.494 -2.194 2.012
302 HB2 LYS 42 HB2 LYS 42 -6.461 -3.113 4.245
303 HB3 LYS 42 HB1 LYS 42 -5.121 -4.168 3.886
304 HG2 LYS 42 HG2 LYS 42 -4.366 -2.334 5.274
305 HG3 LYS 42 HG1 LYS 42 -3.623 -2.229 3.691
306 HD2 LYS 42 HD2 LYS 42 -4.158 -0.033 4.205
307 HD3 LYS 42 HD1 LYS 42 -5.508 -0.526 3.174
308 HE2 LYS 42 HE2 LYS 42 -6.828 -0.935 5.228
309 HE3 LYS 42 HE1 LYS 42 -5.421 -0.391 6.155
310 HZ1 LYS 42 HZ1 LYS 42 -5.571 1.789 5.124
311 HZ2 LYS 42 HZ2 LYS 42 -7.028 1.433 5.887
312 HZ3 LYS 42 HZ3 LYS 42 -6.911 1.319 4.212
313 H CYS 43 HN CYS 43 -4.985 -0.941 1.149
314 HA CYS 43 HA CYS 43 -2.925 -2.097 -0.474
315 HB2 CYS 43 HB2 CYS 43 -4.252 -0.161 -1.204
316 HB3 CYS 43 HB1 CYS 43 -3.698 0.751 0.183
317 H TYR 44 HN TYR 44 -0.818 -2.215 0.079
318 HA TYR 44 HA TYR 44 0.087 -0.724 2.388
319 HB2 TYR 44 HB2 TYR 44 0.502 -3.617 1.815
320 HB3 TYR 44 HB1 TYR 44 1.658 -2.682 2.746
321 HD1 TYR 44 HD1 TYR 44 -1.601 -4.149 2.681
322 HD2 TYR 44 HD2 TYR 44 1.102 -1.895 4.966
323 HE1 TYR 44 HE1 TYR 44 -2.901 -4.660 4.687
324 HE2 TYR 44 HE2 TYR 44 -0.171 -2.367 7.004
325 HH TYR 44 HH TYR 44 -2.275 -4.782 7.211
326 H CYS 45 HN CYS 45 1.955 0.057 2.201
327 HA CYS 45 HA CYS 45 3.173 0.010 -0.403
328 HB2 CYS 45 HB2 CYS 45 3.751 1.735 1.999
329 HB3 CYS 45 HB1 CYS 45 4.297 2.025 0.388
330 H TYR 46 HN TYR 46 5.235 -0.649 -0.714
331 HA TYR 46 HA TYR 46 6.449 -2.002 1.559
332 HB2 TYR 46 HB2 TYR 46 6.379 -2.765 -1.321
333 HB3 TYR 46 HB1 TYR 46 7.612 -3.404 -0.243
334 HD1 TYR 46 HD1 TYR 46 7.173 -5.290 0.984
335 HD2 TYR 46 HD2 TYR 46 3.873 -3.161 -0.675
336 HE1 TYR 46 HE1 TYR 46 5.688 -7.082 1.654
337 HE2 TYR 46 HE2 TYR 46 2.386 -4.877 -0.003
338 HH TYR 46 HH TYR 46 2.532 -7.370 0.461
339 H LYS 47 HN LYS 47 8.410 -1.637 2.061
340 HA LYS 47 HA LYS 47 10.123 -0.170 0.275
341 HB2 LYS 47 HB2 LYS 47 10.668 1.564 1.971
342 HB3 LYS 47 HB1 LYS 47 9.025 1.673 1.363
343 HG2 LYS 47 HG2 LYS 47 8.190 0.643 3.413
344 HG3 LYS 47 HG1 LYS 47 9.832 0.449 4.013
345 HD2 LYS 47 HD2 LYS 47 10.112 2.896 3.949
346 HD3 LYS 47 HD1 LYS 47 8.430 3.056 3.442
347 HE2 LYS 47 HE2 LYS 47 8.554 3.420 5.821
348 HE3 LYS 47 HE1 LYS 47 7.754 1.877 5.524
349 HZ1 LYS 47 HZ1 LYS 47 9.368 1.686 7.315
350 HZ2 LYS 47 HZ2 LYS 47 10.601 2.235 6.305
351 HZ3 LYS 47 HZ3 LYS 47 9.888 0.750 6.007
352 HA PRO 48 HA PRO 48 13.022 -2.828 2.264
353 HB2 PRO 48 HB2 PRO 48 15.324 -1.621 1.526
354 HB3 PRO 48 HB1 PRO 48 14.324 -2.510 0.359
355 HG2 PRO 48 HG2 PRO 48 14.538 0.417 0.781
356 HG3 PRO 48 HG1 PRO 48 14.389 -0.500 -0.730
357 HD2 PRO 48 HD2 PRO 48 12.277 0.769 0.439
358 HD3 PRO 48 HD1 PRO 48 12.128 -0.679 -0.573
359 H CYS 49 HN CYS 49 13.243 -2.870 4.256
360 HA CYS 49 HA CYS 49 14.640 -0.738 5.740
361 HB2 CYS 49 HB2 CYS 49 12.701 -2.897 6.616
362 HB3 CYS 49 HB1 CYS 49 13.558 -1.836 7.748
363 HA PRO 50 HA PRO 50 17.944 -3.702 6.104
364 HB2 PRO 50 HB2 PRO 50 18.465 -3.685 8.840
365 HB3 PRO 50 HB1 PRO 50 19.102 -2.481 7.702
366 HG2 PRO 50 HG2 PRO 50 16.775 -2.275 9.526
367 HG3 PRO 50 HG1 PRO 50 17.974 -1.046 9.076
368 HD2 PRO 50 HD2 PRO 50 15.520 -1.033 8.023
369 HD3 PRO 50 HD1 PRO 50 16.943 -0.565 7.075
Start of MODEL 11
1 H1 ARG 1 HT1 ARG 1 15.682 -6.779 5.148
2 H2 ARG 1 HT2 ARG 1 15.191 -5.350 4.528
3 H3 ARG 1 HT3 ARG 1 15.290 -6.672 3.489
4 HA ARG 1 HA ARG 1 13.390 -7.650 4.599
5 HB2 ARG 1 HB2 ARG 1 13.736 -5.299 6.437
6 HB3 ARG 1 HB1 ARG 1 12.223 -6.174 6.324
7 HG2 ARG 1 HG2 ARG 1 13.232 -8.159 7.182
8 HG3 ARG 1 HG1 ARG 1 14.843 -7.438 7.081
9 HD2 ARG 1 HD2 ARG 1 14.313 -5.827 8.741
10 HD3 ARG 1 HD1 ARG 1 12.623 -6.279 8.743
11 HE ARG 1 HE ARG 1 13.172 -8.339 9.785
12 HH11 ARG 1 HH11 ARG 1 15.964 -6.162 9.613
13 HH12 ARG 1 HH12 ARG 1 16.740 -6.745 10.983
14 HH21 ARG 1 HH21 ARG 1 14.250 -9.215 11.733
15 HH22 ARG 1 HH22 ARG 1 15.736 -8.548 12.230
16 H MET 2 HN MET 2 11.265 -7.227 4.092
17 HA MET 2 HA MET 2 10.794 -4.841 2.437
18 HB2 MET 2 HB2 MET 2 9.572 -7.606 2.421
19 HB3 MET 2 HB1 MET 2 8.879 -6.236 1.569
20 HG2 MET 2 HG2 MET 2 10.819 -6.038 0.199
21 HG3 MET 2 HG1 MET 2 11.642 -7.304 1.111
22 HE1 MET 2 HE1 MET 2 10.979 -8.973 -2.399
23 HE2 MET 2 HE2 MET 2 12.197 -8.569 -1.189
24 HE3 MET 2 HE3 MET 2 11.386 -7.286 -2.086
25 H CYS 3 HN CYS 3 10.211 -3.467 3.804
26 HA CYS 3 HA CYS 3 8.475 -4.078 5.983
27 HB2 CYS 3 HB2 CYS 3 9.805 -1.656 4.922
28 HB3 CYS 3 HB1 CYS 3 8.473 -1.432 6.028
29 H LYS 4 HN LYS 4 6.452 -4.435 5.695
30 HA LYS 4 HA LYS 4 5.042 -3.260 3.455
31 HB2 LYS 4 HB2 LYS 4 4.899 -5.725 4.066
32 HB3 LYS 4 HB1 LYS 4 4.059 -5.232 5.530
33 HG2 LYS 4 HG2 LYS 4 2.257 -4.291 4.213
34 HG3 LYS 4 HG1 LYS 4 3.139 -4.654 2.738
35 HD2 LYS 4 HD2 LYS 4 1.472 -6.309 2.993
36 HD3 LYS 4 HD1 LYS 4 3.031 -7.041 3.310
37 HE2 LYS 4 HE2 LYS 4 2.652 -6.898 5.731
38 HE3 LYS 4 HE1 LYS 4 1.091 -6.130 5.447
39 HZ1 LYS 4 HZ1 LYS 4 1.794 -8.896 4.565
40 HZ2 LYS 4 HZ2 LYS 4 0.302 -8.159 4.386
41 HZ3 LYS 4 HZ3 LYS 4 0.842 -8.515 5.905
42 H THR 5 HN THR 5 4.231 -1.335 3.810
43 HA THR 5 HA THR 5 3.536 -0.437 6.509
44 HB THR 5 HB THR 5 4.254 1.016 3.977
45 HG1 THR 5 HG1 THR 5 5.782 -0.366 5.097
46 HG21 THR 5 HG21 THR 5 4.039 2.041 6.823
47 HG22 THR 5 HG22 THR 5 2.939 2.391 5.469
48 HG23 THR 5 HG23 THR 5 4.606 2.951 5.408
49 HA PRO 6 HA PRO 6 -0.674 -0.336 4.697
50 HB2 PRO 6 HB2 PRO 6 -1.637 1.176 6.946
51 HB3 PRO 6 HB1 PRO 6 -1.858 -0.553 6.590
52 HG2 PRO 6 HG2 PRO 6 -0.376 0.432 8.695
53 HG3 PRO 6 HG1 PRO 6 -0.269 -1.202 8.022
54 HD2 PRO 6 HD2 PRO 6 1.559 1.104 7.631
55 HD3 PRO 6 HD1 PRO 6 1.890 -0.640 7.619
56 H SER 7 HN SER 7 -0.907 0.974 3.045
57 HA SER 7 HA SER 7 -0.014 3.535 2.712
58 HB2 SER 7 HB2 SER 7 -2.463 2.437 1.414
59 HB3 SER 7 HB1 SER 7 -1.149 3.388 0.703
60 HG SER 7 HG SER 7 0.017 1.682 0.490
61 H GLY 8 HN GLY 8 -0.903 5.509 2.949
62 HA2 GLY 8 HA2 GLY 8 -3.122 5.692 4.822
63 HA3 GLY 8 HA1 GLY 8 -1.981 6.962 4.423
64 H LYS 9 HN LYS 9 -2.454 6.477 1.413
65 HA LYS 9 HA LYS 9 -4.752 8.317 1.400
66 HB2 LYS 9 HB2 LYS 9 -3.220 7.430 -0.982
67 HB3 LYS 9 HB1 LYS 9 -4.169 8.889 -0.760
68 HG2 LYS 9 HG2 LYS 9 -2.291 9.393 1.073
69 HG3 LYS 9 HG1 LYS 9 -1.508 8.163 0.138
70 HD2 LYS 9 HD2 LYS 9 -2.777 10.467 -1.092
71 HD3 LYS 9 HD1 LYS 9 -1.059 10.508 -0.610
72 HE2 LYS 9 HE2 LYS 9 -0.753 8.441 -2.060
73 HE3 LYS 9 HE1 LYS 9 -2.410 8.679 -2.606
74 HZ1 LYS 9 HZ1 LYS 9 -0.235 10.632 -2.924
75 HZ2 LYS 9 HZ2 LYS 9 -1.803 10.731 -3.604
76 HZ3 LYS 9 HZ3 LYS 9 -0.720 9.495 -4.072
77 H PHE 10 HN PHE 10 -3.801 5.245 0.776
78 HA PHE 10 HA PHE 10 -5.644 4.574 -1.273
79 HB2 PHE 10 HB2 PHE 10 -3.537 3.253 -0.548
80 HB3 PHE 10 HB1 PHE 10 -4.691 2.487 0.558
81 HD1 PHE 10 HD1 PHE 10 -6.475 1.051 -0.253
82 HD2 PHE 10 HD2 PHE 10 -3.806 3.044 -2.810
83 HE1 PHE 10 HE1 PHE 10 -7.244 -0.379 -2.105
84 HE2 PHE 10 HE2 PHE 10 -4.534 1.617 -4.730
85 HZ PHE 10 HZ PHE 10 -6.274 -0.099 -4.353
86 H LYS 11 HN LYS 11 -7.533 4.557 -1.113
87 HA LYS 11 HA LYS 11 -8.910 3.227 1.049
88 HB2 LYS 11 HB2 LYS 11 -10.704 5.191 1.033
89 HB3 LYS 11 HB1 LYS 11 -9.304 5.231 2.078
90 HG2 LYS 11 HG2 LYS 11 -9.629 7.420 1.122
91 HG3 LYS 11 HG1 LYS 11 -8.161 6.728 0.463
92 HD2 LYS 11 HD2 LYS 11 -9.179 7.769 -1.375
93 HD3 LYS 11 HD1 LYS 11 -9.619 6.078 -1.562
94 HE2 LYS 11 HE2 LYS 11 -11.394 8.228 -0.376
95 HE3 LYS 11 HE1 LYS 11 -11.496 7.630 -2.025
96 HZ1 LYS 11 HZ1 LYS 11 -13.160 6.538 -0.749
97 HZ2 LYS 11 HZ2 LYS 11 -12.058 6.160 0.474
98 HZ3 LYS 11 HZ3 LYS 11 -11.919 5.399 -1.028
99 H GLY 12 HN GLY 12 -9.145 1.607 -0.460
100 HA2 GLY 12 HA2 GLY 12 -11.647 1.443 -1.596
101 HA3 GLY 12 HA1 GLY 12 -10.505 1.871 -2.872
102 H TYR 13 HN TYR 13 -11.185 -0.309 -3.635
103 HA TYR 13 HA TYR 13 -10.153 -2.566 -2.183
104 HB2 TYR 13 HB2 TYR 13 -11.822 -2.176 -4.573
105 HB3 TYR 13 HB1 TYR 13 -10.794 -3.600 -4.579
106 HD1 TYR 13 HD1 TYR 13 -13.715 -2.006 -3.073
107 HD2 TYR 13 HD2 TYR 13 -11.084 -5.332 -2.942
108 HE1 TYR 13 HE1 TYR 13 -15.340 -3.231 -1.683
109 HE2 TYR 13 HE2 TYR 13 -12.645 -6.565 -1.571
110 HH TYR 13 HH TYR 13 -14.598 -6.028 0.026
111 H CYS 14 HN CYS 14 -8.118 -3.179 -2.260
112 HA CYS 14 HA CYS 14 -6.484 -2.401 -4.505
113 HB2 CYS 14 HB2 CYS 14 -5.721 -2.409 -2.030
114 HB3 CYS 14 HB1 CYS 14 -5.580 -4.150 -2.218
115 H VAL 15 HN VAL 15 -8.207 -3.794 -5.595
116 HA VAL 15 HA VAL 15 -7.607 -6.541 -5.892
117 HB VAL 15 HB VAL 15 -8.858 -6.419 -8.083
118 HG11 VAL 15 HG11 VAL 15 -10.215 -5.189 -5.696
119 HG12 VAL 15 HG12 VAL 15 -10.063 -6.911 -6.053
120 HG13 VAL 15 HG13 VAL 15 -11.046 -5.876 -7.089
121 HG21 VAL 15 HG21 VAL 15 -9.203 -3.504 -7.353
122 HG22 VAL 15 HG22 VAL 15 -10.038 -4.338 -8.663
123 HG23 VAL 15 HG23 VAL 15 -8.288 -4.125 -8.727
124 H ASN 16 HN ASN 16 -6.382 -3.651 -7.324
125 HA ASN 16 HA ASN 16 -4.571 -5.185 -9.046
126 HB2 ASN 16 HB2 ASN 16 -5.974 -3.730 -10.359
127 HB3 ASN 16 HB1 ASN 16 -5.634 -2.365 -9.304
128 HD21 ASN 16 HD21 ASN 16 -4.957 -1.146 -11.080
129 HD22 ASN 16 HD22 ASN 16 -3.445 -1.421 -11.863
130 H ASN 17 HN ASN 17 -2.594 -5.305 -8.378
131 HA ASN 17 HA ASN 17 -1.600 -3.925 -6.123
132 HB2 ASN 17 HB2 ASN 17 -0.097 -5.554 -8.183
133 HB3 ASN 17 HB1 ASN 17 0.641 -4.895 -6.733
134 HD21 ASN 17 HD21 ASN 17 -1.333 -7.402 -8.055
135 HD22 ASN 17 HD22 ASN 17 -1.504 -8.287 -6.581
136 H THR 18 HN THR 18 -1.383 -3.266 -9.538
137 HA THR 18 HA THR 18 0.704 -1.378 -9.426
138 HB THR 18 HB THR 18 -1.582 -1.565 -11.409
139 HG1 THR 18 HG1 THR 18 -0.528 -3.263 -12.251
140 HG21 THR 18 HG21 THR 18 0.087 -0.675 -12.990
141 HG22 THR 18 HG22 THR 18 1.284 -0.603 -11.697
142 HG23 THR 18 HG23 THR 18 -0.137 0.440 -11.641
143 H ASN 19 HN ASN 19 -2.726 -1.213 -8.565
144 HA ASN 19 HA ASN 19 -3.023 1.635 -8.809
145 HB2 ASN 19 HB2 ASN 19 -4.976 0.032 -8.863
146 HB3 ASN 19 HB1 ASN 19 -4.633 -0.356 -7.179
147 HD21 ASN 19 HD21 ASN 19 -6.668 0.359 -6.461
148 HD22 ASN 19 HD22 ASN 19 -7.041 2.045 -6.440
149 H CYS 20 HN CYS 20 -2.540 -0.754 -6.291
150 HA CYS 20 HA CYS 20 -2.240 0.750 -3.969
151 HB2 CYS 20 HB2 CYS 20 -2.031 -1.851 -4.341
152 HB3 CYS 20 HB1 CYS 20 -0.421 -1.479 -4.762
153 H LYS 21 HN LYS 21 -0.062 -0.293 -6.407
154 HA LYS 21 HA LYS 21 2.234 0.410 -5.436
155 HB2 LYS 21 HB2 LYS 21 1.344 -0.683 -7.707
156 HB3 LYS 21 HB1 LYS 21 1.917 0.874 -8.299
157 HG2 LYS 21 HG2 LYS 21 4.119 0.417 -7.639
158 HG3 LYS 21 HG1 LYS 21 3.617 -1.066 -6.804
159 HD2 LYS 21 HD2 LYS 21 2.840 -2.030 -8.865
160 HD3 LYS 21 HD1 LYS 21 3.198 -0.542 -9.738
161 HE2 LYS 21 HE2 LYS 21 4.874 -2.152 -10.163
162 HE3 LYS 21 HE1 LYS 21 5.499 -0.802 -9.188
163 HZ1 LYS 21 HZ1 LYS 21 6.292 -3.028 -8.426
164 HZ2 LYS 21 HZ2 LYS 21 4.701 -3.456 -8.069
165 HZ3 LYS 21 HZ3 LYS 21 5.453 -2.213 -7.218
166 H ASN 22 HN ASN 22 0.106 2.188 -7.689
167 HA ASN 22 HA ASN 22 1.694 4.482 -8.036
168 HB2 ASN 22 HB2 ASN 22 -1.278 4.120 -8.427
169 HB3 ASN 22 HB1 ASN 22 -0.399 5.571 -8.886
170 HD21 ASN 22 HD21 ASN 22 -1.884 3.779 -10.564
171 HD22 ASN 22 HD22 ASN 22 -0.774 3.162 -11.740
172 H VAL 23 HN VAL 23 -0.960 3.795 -5.829
173 HA VAL 23 HA VAL 23 -1.019 6.407 -4.708
174 HB VAL 23 HB VAL 23 -1.859 3.800 -3.393
175 HG11 VAL 23 HG11 VAL 23 -2.646 6.644 -2.864
176 HG12 VAL 23 HG12 VAL 23 -1.628 5.643 -1.838
177 HG13 VAL 23 HG13 VAL 23 -3.340 5.240 -2.049
178 HG21 VAL 23 HG21 VAL 23 -3.437 5.673 -5.174
179 HG22 VAL 23 HG22 VAL 23 -4.175 4.466 -4.144
180 HG23 VAL 23 HG23 VAL 23 -3.094 3.957 -5.452
181 H CYS 24 HN CYS 24 0.659 3.461 -3.712
182 HA CYS 24 HA CYS 24 1.976 4.579 -1.509
183 HB2 CYS 24 HB2 CYS 24 2.601 2.256 -3.306
184 HB3 CYS 24 HB1 CYS 24 3.622 2.620 -1.928
185 H ARG 25 HN ARG 25 2.879 4.410 -4.892
186 HA ARG 25 HA ARG 25 5.444 5.519 -4.579
187 HB2 ARG 25 HB2 ARG 25 3.641 5.383 -6.988
188 HB3 ARG 25 HB1 ARG 25 5.310 5.943 -7.053
189 HG2 ARG 25 HG2 ARG 25 6.169 3.838 -6.492
190 HG3 ARG 25 HG1 ARG 25 4.611 3.268 -5.896
191 HD2 ARG 25 HD2 ARG 25 4.959 2.208 -7.969
192 HD3 ARG 25 HD1 ARG 25 3.761 3.484 -8.213
193 HE ARG 25 HE ARG 25 6.539 3.991 -8.763
194 HH11 ARG 25 HH11 ARG 25 3.222 3.633 -10.071
195 HH12 ARG 25 HH12 ARG 25 3.597 4.164 -11.609
196 HH21 ARG 25 HH21 ARG 25 7.064 4.756 -10.972
197 HH22 ARG 25 HH22 ARG 25 5.848 4.827 -12.162
198 H THR 26 HN THR 26 2.288 6.908 -4.803
199 HA THR 26 HA THR 26 3.384 9.541 -5.086
200 HB THR 26 HB THR 26 0.860 10.175 -4.602
201 HG1 THR 26 HG1 THR 26 0.551 7.562 -5.488
202 HG21 THR 26 HG21 THR 26 1.763 8.868 -7.144
203 HG22 THR 26 HG22 THR 26 2.015 10.566 -6.714
204 HG23 THR 26 HG23 THR 26 0.376 9.951 -6.988
205 H GLU 27 HN GLU 27 1.856 7.743 -2.429
206 HA GLU 27 HA GLU 27 2.215 9.602 -0.411
207 HB2 GLU 27 HB2 GLU 27 2.559 6.591 -0.287
208 HB3 GLU 27 HB1 GLU 27 2.546 7.623 1.144
209 HG2 GLU 27 HG2 GLU 27 0.350 8.421 0.532
210 HG3 GLU 27 HG1 GLU 27 0.386 7.359 -0.878
211 H GLY 28 HN GLY 28 4.635 7.346 -1.657
212 HA2 GLY 28 HA2 GLY 28 6.849 8.659 -1.926
213 HA3 GLY 28 HA1 GLY 28 6.696 8.862 -0.185
214 H PHE 29 HN PHE 29 6.021 6.056 -2.214
215 HA PHE 29 HA PHE 29 8.092 4.573 -0.760
216 HB2 PHE 29 HB2 PHE 29 5.310 3.683 -1.489
217 HB3 PHE 29 HB1 PHE 29 6.554 2.606 -0.879
218 HD1 PHE 29 HD1 PHE 29 7.078 2.548 1.437
219 HD2 PHE 29 HD2 PHE 29 4.303 5.375 -0.081
220 HE1 PHE 29 HE1 PHE 29 6.323 3.009 3.714
221 HE2 PHE 29 HE2 PHE 29 3.526 5.874 2.177
222 HZ PHE 29 HZ PHE 29 4.536 4.691 4.109
223 HA PRO 30 HA PRO 30 9.474 3.356 -4.790
224 HB2 PRO 30 HB2 PRO 30 10.197 0.734 -4.187
225 HB3 PRO 30 HB1 PRO 30 11.248 2.136 -3.964
226 HG2 PRO 30 HG2 PRO 30 9.682 0.638 -1.966
227 HG3 PRO 30 HG1 PRO 30 11.208 1.519 -1.782
228 HD2 PRO 30 HD2 PRO 30 8.846 2.451 -0.871
229 HD3 PRO 30 HD1 PRO 30 10.167 3.511 -1.384
230 H THR 31 HN THR 31 7.335 1.088 -3.011
231 HA THR 31 HA THR 31 5.873 0.659 -5.418
232 HB THR 31 HB THR 31 7.645 -0.933 -5.783
233 HG1 THR 31 HG1 THR 31 5.843 -2.771 -4.855
234 HG21 THR 31 HG21 THR 31 8.082 -2.791 -4.136
235 HG22 THR 31 HG22 THR 31 7.067 -1.899 -2.982
236 HG23 THR 31 HG23 THR 31 8.546 -1.180 -3.588
237 H GLY 32 HN GLY 32 4.071 -0.968 -4.939
238 HA2 GLY 32 HA2 GLY 32 3.263 -1.061 -2.207
239 HA3 GLY 32 HA1 GLY 32 2.220 -0.171 -3.333
240 H SER 33 HN SER 33 1.625 -2.570 -1.988
241 HA SER 33 HA SER 33 0.820 -4.181 -4.200
242 HB2 SER 33 HB2 SER 33 2.890 -4.990 -2.243
243 HB3 SER 33 HB1 SER 33 1.940 -6.271 -3.029
244 HG SER 33 HG SER 33 2.939 -4.301 -4.634
245 H CYS 34 HN CYS 34 -0.663 -5.970 -3.407
246 HA CYS 34 HA CYS 34 -2.350 -4.659 -1.460
247 HB2 CYS 34 HB2 CYS 34 -2.993 -6.912 -3.346
248 HB3 CYS 34 HB1 CYS 34 -4.134 -5.967 -2.393
249 H ASP 35 HN ASP 35 -3.461 -5.832 0.154
250 HA ASP 35 HA ASP 35 -2.455 -8.442 0.960
251 HB2 ASP 35 HB2 ASP 35 -0.939 -6.823 1.894
252 HB3 ASP 35 HB1 ASP 35 -2.286 -5.884 2.501
253 H PHE 36 HN PHE 36 -3.819 -9.312 2.705
254 HA PHE 36 HA PHE 36 -6.440 -8.089 2.794
255 HB2 PHE 36 HB2 PHE 36 -6.824 -9.982 1.452
256 HB3 PHE 36 HB1 PHE 36 -5.691 -10.969 2.360
257 HD1 PHE 36 HD1 PHE 36 -8.625 -8.928 3.616
258 HD2 PHE 36 HD2 PHE 36 -6.890 -12.782 3.055
259 HE1 PHE 36 HE1 PHE 36 -10.449 -9.915 4.876
260 HE2 PHE 36 HE2 PHE 36 -8.745 -13.791 4.339
261 HZ PHE 36 HZ PHE 36 -10.527 -12.358 5.251
262 H HIS 37 HN HIS 37 -6.678 -7.319 4.651
263 HA HIS 37 HA HIS 37 -6.245 -9.021 6.992
264 HB2 HIS 37 HB2 HIS 37 -4.775 -7.519 8.119
265 HB3 HIS 37 HB1 HIS 37 -4.316 -7.343 6.419
266 HD1 HIS 37 HD1 HIS 37 -5.637 -5.436 9.247
267 HD2 HIS 37 HD2 HIS 37 -5.088 -4.922 5.173
268 HE1 HIS 37 HE1 HIS 37 -5.829 -2.961 8.828
269 HE2 HIS 37 HE2 HIS 37 -4.870 -2.803 6.541
270 H VAL 38 HN VAL 38 -8.355 -7.501 5.211
271 HA VAL 38 HA VAL 38 -10.072 -6.635 7.319
272 HB VAL 38 HB VAL 38 -10.616 -4.462 5.986
273 HG11 VAL 38 HG11 VAL 38 -7.994 -4.613 7.468
274 HG12 VAL 38 HG12 VAL 38 -9.581 -4.312 8.186
275 HG13 VAL 38 HG13 VAL 38 -8.858 -3.132 7.087
276 HG21 VAL 38 HG21 VAL 38 -9.271 -4.987 3.963
277 HG22 VAL 38 HG22 VAL 38 -7.815 -4.930 4.964
278 HG23 VAL 38 HG23 VAL 38 -8.750 -3.474 4.722
279 H ALA 39 HN ALA 39 -12.259 -6.138 6.424
280 HA ALA 39 HA ALA 39 -12.924 -8.088 4.464
281 HB1 ALA 39 HB1 ALA 39 -14.658 -5.944 5.718
282 HB2 ALA 39 HB2 ALA 39 -14.458 -7.588 6.329
283 HB3 ALA 39 HB3 ALA 39 -15.239 -7.314 4.770
284 H GLY 40 HN GLY 40 -11.644 -7.378 2.824
285 HA2 GLY 40 HA2 GLY 40 -12.665 -6.233 0.672
286 HA3 GLY 40 HA1 GLY 40 -12.058 -4.843 1.581
287 H ARG 41 HN ARG 41 -10.314 -4.358 0.305
288 HA ARG 41 HA ARG 41 -8.125 -6.262 0.460
289 HB2 ARG 41 HB2 ARG 41 -9.093 -4.987 -2.107
290 HB3 ARG 41 HB1 ARG 41 -7.491 -5.729 -1.873
291 HG2 ARG 41 HG2 ARG 41 -8.365 -7.711 -1.450
292 HG3 ARG 41 HG1 ARG 41 -10.072 -7.224 -1.400
293 HD2 ARG 41 HD2 ARG 41 -9.738 -8.382 -3.461
294 HD3 ARG 41 HD1 ARG 41 -9.674 -6.678 -3.896
295 HE ARG 41 HE ARG 41 -7.184 -6.958 -3.733
296 HH11 ARG 41 HH11 ARG 41 -9.248 -9.707 -4.639
297 HH12 ARG 41 HH12 ARG 41 -8.095 -10.423 -5.656
298 HH21 ARG 41 HH21 ARG 41 -5.619 -7.922 -5.139
299 HH22 ARG 41 HH22 ARG 41 -5.947 -9.365 -5.968
300 H LYS 42 HN LYS 42 -6.383 -5.259 1.256
301 HA LYS 42 HA LYS 42 -6.519 -2.354 1.239
302 HB2 LYS 42 HB2 LYS 42 -6.726 -3.338 3.478
303 HB3 LYS 42 HB1 LYS 42 -5.257 -4.244 3.264
304 HG2 LYS 42 HG2 LYS 42 -4.958 -2.287 4.721
305 HG3 LYS 42 HG1 LYS 42 -3.937 -2.214 3.292
306 HD2 LYS 42 HD2 LYS 42 -5.368 -0.574 2.279
307 HD3 LYS 42 HD1 LYS 42 -6.568 -0.726 3.583
308 HE2 LYS 42 HE2 LYS 42 -5.030 0.122 5.136
309 HE3 LYS 42 HE1 LYS 42 -3.710 0.149 3.968
310 HZ1 LYS 42 HZ1 LYS 42 -6.127 1.971 4.000
311 HZ2 LYS 42 HZ2 LYS 42 -5.112 1.845 2.680
312 HZ3 LYS 42 HZ3 LYS 42 -4.498 2.412 4.102
313 H CYS 43 HN CYS 43 -4.778 -1.221 0.737
314 HA CYS 43 HA CYS 43 -2.687 -2.492 -0.795
315 HB2 CYS 43 HB2 CYS 43 -3.794 -0.642 -1.784
316 HB3 CYS 43 HB1 CYS 43 -3.645 0.309 -0.325
317 H TYR 44 HN TYR 44 -0.584 -2.473 -0.162
318 HA TYR 44 HA TYR 44 0.130 -0.988 2.210
319 HB2 TYR 44 HB2 TYR 44 0.622 -3.866 1.614
320 HB3 TYR 44 HB1 TYR 44 1.720 -2.934 2.621
321 HD1 TYR 44 HD1 TYR 44 -1.788 -4.006 2.315
322 HD2 TYR 44 HD2 TYR 44 1.272 -2.613 4.868
323 HE1 TYR 44 HE1 TYR 44 -3.180 -4.540 4.239
324 HE2 TYR 44 HE2 TYR 44 -0.091 -3.124 6.823
325 HH TYR 44 HH TYR 44 -2.571 -5.132 6.673
326 H CYS 45 HN CYS 45 2.038 -0.170 2.128
327 HA CYS 45 HA CYS 45 3.286 -0.083 -0.464
328 HB2 CYS 45 HB2 CYS 45 3.748 1.587 2.004
329 HB3 CYS 45 HB1 CYS 45 4.368 1.925 0.428
330 H TYR 46 HN TYR 46 5.306 -0.778 -0.805
331 HA TYR 46 HA TYR 46 6.562 -2.113 1.453
332 HB2 TYR 46 HB2 TYR 46 6.549 -2.818 -1.445
333 HB3 TYR 46 HB1 TYR 46 7.755 -3.471 -0.350
334 HD1 TYR 46 HD1 TYR 46 4.009 -3.207 -0.753
335 HD2 TYR 46 HD2 TYR 46 7.317 -5.444 0.727
336 HE1 TYR 46 HE1 TYR 46 2.514 -4.963 -0.146
337 HE2 TYR 46 HE2 TYR 46 5.836 -7.261 1.325
338 HH TYR 46 HH TYR 46 2.628 -7.453 0.198
339 H LYS 47 HN LYS 47 8.494 -1.696 2.001
340 HA LYS 47 HA LYS 47 10.175 -0.162 0.248
341 HB2 LYS 47 HB2 LYS 47 10.711 1.514 2.032
342 HB3 LYS 47 HB1 LYS 47 9.095 1.650 1.367
343 HG2 LYS 47 HG2 LYS 47 8.178 0.570 3.358
344 HG3 LYS 47 HG1 LYS 47 9.806 0.367 4.009
345 HD2 LYS 47 HD2 LYS 47 10.104 2.774 4.091
346 HD3 LYS 47 HD1 LYS 47 8.524 3.022 3.351
347 HE2 LYS 47 HE2 LYS 47 8.398 3.384 5.752
348 HE3 LYS 47 HE1 LYS 47 7.468 1.956 5.305
349 HZ1 LYS 47 HZ1 LYS 47 10.194 1.958 6.474
350 HZ2 LYS 47 HZ2 LYS 47 9.319 0.580 6.026
351 HZ3 LYS 47 HZ3 LYS 47 8.757 1.564 7.281
352 HA PRO 48 HA PRO 48 13.129 -2.896 2.040
353 HB2 PRO 48 HB2 PRO 48 15.383 -1.636 1.219
354 HB3 PRO 48 HB1 PRO 48 14.344 -2.526 0.083
355 HG2 PRO 48 HG2 PRO 48 14.499 0.402 0.566
356 HG3 PRO 48 HG1 PRO 48 14.348 -0.483 -0.967
357 HD2 PRO 48 HD2 PRO 48 12.209 0.680 0.235
358 HD3 PRO 48 HD1 PRO 48 12.098 -0.804 -0.730
359 H CYS 49 HN CYS 49 13.430 -2.964 4.034
360 HA CYS 49 HA CYS 49 14.940 -0.875 5.431
361 HB2 CYS 49 HB2 CYS 49 13.770 -1.982 7.472
362 HB3 CYS 49 HB1 CYS 49 12.819 -0.879 6.483
363 HA PRO 50 HA PRO 50 18.059 -3.962 6.006
364 HB2 PRO 50 HB2 PRO 50 18.431 -3.960 8.773
365 HB3 PRO 50 HB1 PRO 50 19.198 -2.808 7.659
366 HG2 PRO 50 HG2 PRO 50 16.787 -2.448 9.348
367 HG3 PRO 50 HG1 PRO 50 18.078 -1.294 8.956
368 HD2 PRO 50 HD2 PRO 50 15.705 -1.133 7.763
369 HD3 PRO 50 HD1 PRO 50 17.206 -0.803 6.877
Start of MODEL 12
1 H1 ARG 1 HT1 ARG 1 15.753 -6.319 2.909
2 H2 ARG 1 HT2 ARG 1 16.164 -6.396 4.602
3 H3 ARG 1 HT3 ARG 1 15.456 -5.099 3.988
4 HA ARG 1 HA ARG 1 13.942 -7.585 3.871
5 HB2 ARG 1 HB2 ARG 1 14.113 -5.506 6.039
6 HB3 ARG 1 HB1 ARG 1 12.739 -6.582 5.860
7 HG2 ARG 1 HG2 ARG 1 13.883 -8.394 6.618
8 HG3 ARG 1 HG1 ARG 1 15.434 -7.801 6.017
9 HD2 ARG 1 HD2 ARG 1 15.415 -7.703 8.458
10 HD3 ARG 1 HD1 ARG 1 15.446 -6.105 7.703
11 HE ARG 1 HE ARG 1 12.873 -7.111 8.555
12 HH11 ARG 1 HH11 ARG 1 15.641 -4.933 9.020
13 HH12 ARG 1 HH12 ARG 1 14.932 -3.972 10.209
14 HH21 ARG 1 HH21 ARG 1 11.797 -5.752 10.227
15 HH22 ARG 1 HH22 ARG 1 12.649 -4.449 10.913
16 H MET 2 HN MET 2 11.691 -7.207 3.608
17 HA MET 2 HA MET 2 11.052 -4.678 2.243
18 HB2 MET 2 HB2 MET 2 9.816 -7.425 2.099
19 HB3 MET 2 HB1 MET 2 9.101 -5.986 1.390
20 HG2 MET 2 HG2 MET 2 11.047 -5.713 -0.036
21 HG3 MET 2 HG1 MET 2 11.776 -7.137 0.694
22 HE1 MET 2 HE1 MET 2 9.317 -9.969 -0.588
23 HE2 MET 2 HE2 MET 2 9.167 -9.080 0.925
24 HE3 MET 2 HE3 MET 2 10.755 -9.623 0.374
25 H CYS 3 HN CYS 3 10.196 -3.365 3.432
26 HA CYS 3 HA CYS 3 8.670 -4.178 5.759
27 HB2 CYS 3 HB2 CYS 3 9.921 -1.702 4.779
28 HB3 CYS 3 HB1 CYS 3 8.556 -1.510 5.886
29 H LYS 4 HN LYS 4 6.603 -4.518 5.559
30 HA LYS 4 HA LYS 4 5.149 -3.275 3.383
31 HB2 LYS 4 HB2 LYS 4 4.966 -5.759 3.854
32 HB3 LYS 4 HB1 LYS 4 4.212 -5.352 5.389
33 HG2 LYS 4 HG2 LYS 4 2.354 -4.312 4.247
34 HG3 LYS 4 HG1 LYS 4 3.160 -4.543 2.705
35 HD2 LYS 4 HD2 LYS 4 1.430 -6.185 2.939
36 HD3 LYS 4 HD1 LYS 4 3.004 -6.961 2.996
37 HE2 LYS 4 HE2 LYS 4 2.856 -7.160 5.423
38 HE3 LYS 4 HE1 LYS 4 1.323 -6.286 5.418
39 HZ1 LYS 4 HZ1 LYS 4 0.272 -8.099 4.252
40 HZ2 LYS 4 HZ2 LYS 4 1.034 -8.744 5.562
41 HZ3 LYS 4 HZ3 LYS 4 1.728 -8.886 4.021
42 H THR 5 HN THR 5 4.375 -1.361 3.816
43 HA THR 5 HA THR 5 3.614 -0.592 6.541
44 HB THR 5 HB THR 5 4.620 0.919 4.142
45 HG1 THR 5 HG1 THR 5 5.765 -0.377 6.052
46 HG21 THR 5 HG21 THR 5 3.050 2.318 5.335
47 HG22 THR 5 HG22 THR 5 4.691 2.905 5.568
48 HG23 THR 5 HG23 THR 5 3.876 2.016 6.874
49 HA PRO 6 HA PRO 6 -0.556 -0.412 4.810
50 HB2 PRO 6 HB2 PRO 6 -1.715 1.093 6.781
51 HB3 PRO 6 HB1 PRO 6 -1.420 -0.653 6.917
52 HG2 PRO 6 HG2 PRO 6 0.129 1.600 8.068
53 HG3 PRO 6 HG1 PRO 6 -0.230 0.003 8.756
54 HD2 PRO 6 HD2 PRO 6 2.177 0.626 7.663
55 HD3 PRO 6 HD1 PRO 6 1.502 -1.016 7.662
56 H SER 7 HN SER 7 -1.244 0.835 3.250
57 HA SER 7 HA SER 7 -0.358 3.381 2.558
58 HB2 SER 7 HB2 SER 7 -2.488 3.412 1.181
59 HB3 SER 7 HB1 SER 7 -1.419 2.055 0.861
60 HG SER 7 HG SER 7 -2.705 0.734 1.792
61 H GLY 8 HN GLY 8 -1.100 5.458 2.935
62 HA2 GLY 8 HA2 GLY 8 -3.016 5.719 5.111
63 HA3 GLY 8 HA1 GLY 8 -1.896 6.944 4.541
64 H LYS 9 HN LYS 9 -2.762 6.446 1.649
65 HA LYS 9 HA LYS 9 -5.356 7.888 1.845
66 HB2 LYS 9 HB2 LYS 9 -4.703 9.193 0.086
67 HB3 LYS 9 HB1 LYS 9 -3.677 9.461 1.505
68 HG2 LYS 9 HG2 LYS 9 -1.901 8.391 0.519
69 HG3 LYS 9 HG1 LYS 9 -2.870 7.679 -0.764
70 HD2 LYS 9 HD2 LYS 9 -3.511 10.175 -0.936
71 HD3 LYS 9 HD1 LYS 9 -1.800 10.328 -0.430
72 HE2 LYS 9 HE2 LYS 9 -2.863 8.645 -2.651
73 HE3 LYS 9 HE1 LYS 9 -1.904 10.125 -2.917
74 HZ1 LYS 9 HZ1 LYS 9 -0.535 8.042 -3.050
75 HZ2 LYS 9 HZ2 LYS 9 -1.004 7.670 -1.491
76 HZ3 LYS 9 HZ3 LYS 9 -0.071 9.034 -1.767
77 H PHE 10 HN PHE 10 -4.541 5.134 1.172
78 HA PHE 10 HA PHE 10 -5.091 4.773 -1.575
79 HB2 PHE 10 HB2 PHE 10 -3.900 3.140 -0.211
80 HB3 PHE 10 HB1 PHE 10 -5.372 2.745 0.655
81 HD1 PHE 10 HD1 PHE 10 -6.825 1.115 -0.251
82 HD2 PHE 10 HD2 PHE 10 -3.877 3.005 -2.562
83 HE1 PHE 10 HE1 PHE 10 -7.332 -0.449 -2.082
84 HE2 PHE 10 HE2 PHE 10 -4.332 1.431 -4.471
85 HZ PHE 10 HZ PHE 10 -6.080 -0.293 -4.199
86 H LYS 11 HN LYS 11 -6.781 4.233 -2.630
87 HA LYS 11 HA LYS 11 -9.343 4.500 -1.323
88 HB2 LYS 11 HB2 LYS 11 -10.012 5.750 -3.553
89 HB3 LYS 11 HB1 LYS 11 -9.275 6.624 -2.222
90 HG2 LYS 11 HG2 LYS 11 -8.345 7.366 -4.310
91 HG3 LYS 11 HG1 LYS 11 -7.108 6.494 -3.416
92 HD2 LYS 11 HD2 LYS 11 -7.469 4.532 -4.816
93 HD3 LYS 11 HD1 LYS 11 -8.757 5.369 -5.680
94 HE2 LYS 11 HE2 LYS 11 -7.172 7.037 -6.431
95 HE3 LYS 11 HE1 LYS 11 -5.876 6.221 -5.553
96 HZ1 LYS 11 HZ1 LYS 11 -7.428 5.049 -7.818
97 HZ2 LYS 11 HZ2 LYS 11 -6.173 4.273 -7.006
98 HZ3 LYS 11 HZ3 LYS 11 -5.855 5.643 -7.922
99 H GLY 12 HN GLY 12 -10.770 3.041 -1.798
100 HA2 GLY 12 HA2 GLY 12 -12.045 1.668 -3.177
101 HA3 GLY 12 HA1 GLY 12 -10.788 1.766 -4.399
102 H TYR 13 HN TYR 13 -10.998 -0.453 -4.648
103 HA TYR 13 HA TYR 13 -10.179 -2.188 -2.467
104 HB2 TYR 13 HB2 TYR 13 -11.576 -2.533 -5.038
105 HB3 TYR 13 HB1 TYR 13 -10.496 -3.833 -4.551
106 HD1 TYR 13 HD1 TYR 13 -11.034 -5.286 -2.834
107 HD2 TYR 13 HD2 TYR 13 -13.529 -1.940 -3.583
108 HE1 TYR 13 HE1 TYR 13 -12.689 -6.258 -1.391
109 HE2 TYR 13 HE2 TYR 13 -15.259 -2.897 -2.109
110 HH TYR 13 HH TYR 13 -14.696 -5.443 0.017
111 H CYS 14 HN CYS 14 -8.240 -3.208 -2.391
112 HA CYS 14 HA CYS 14 -6.399 -2.536 -4.522
113 HB2 CYS 14 HB2 CYS 14 -5.846 -2.376 -1.975
114 HB3 CYS 14 HB1 CYS 14 -5.651 -4.121 -2.073
115 H VAL 15 HN VAL 15 -8.066 -3.972 -5.613
116 HA VAL 15 HA VAL 15 -7.540 -6.750 -5.645
117 HB VAL 15 HB VAL 15 -8.653 -6.779 -7.914
118 HG11 VAL 15 HG11 VAL 15 -10.133 -5.356 -5.708
119 HG12 VAL 15 HG12 VAL 15 -9.986 -7.098 -5.921
120 HG13 VAL 15 HG13 VAL 15 -10.887 -6.139 -7.093
121 HG21 VAL 15 HG21 VAL 15 -9.757 -4.729 -8.710
122 HG22 VAL 15 HG22 VAL 15 -8.002 -4.552 -8.690
123 HG23 VAL 15 HG23 VAL 15 -8.974 -3.812 -7.421
124 H ASN 16 HN ASN 16 -6.086 -4.033 -7.246
125 HA ASN 16 HA ASN 16 -4.176 -5.835 -8.602
126 HB2 ASN 16 HB2 ASN 16 -5.737 -4.609 -10.172
127 HB3 ASN 16 HB1 ASN 16 -5.114 -3.098 -9.534
128 HD21 ASN 16 HD21 ASN 16 -5.066 -3.913 -12.252
129 HD22 ASN 16 HD22 ASN 16 -3.426 -4.055 -12.742
130 H ASN 17 HN ASN 17 -2.225 -5.600 -7.999
131 HA ASN 17 HA ASN 17 -1.273 -4.006 -5.930
132 HB2 ASN 17 HB2 ASN 17 0.221 -5.380 -8.165
133 HB3 ASN 17 HB1 ASN 17 1.010 -4.627 -6.785
134 HD21 ASN 17 HD21 ASN 17 0.852 -7.459 -7.737
135 HD22 ASN 17 HD22 ASN 17 0.260 -8.322 -6.365
136 H THR 18 HN THR 18 -1.527 -3.321 -9.315
137 HA THR 18 HA THR 18 0.365 -1.263 -9.488
138 HB THR 18 HB THR 18 -2.106 -1.769 -11.151
139 HG1 THR 18 HG1 THR 18 -0.939 -3.498 -11.477
140 HG21 THR 18 HG21 THR 18 -0.926 -0.563 -12.924
141 HG22 THR 18 HG22 THR 18 0.418 -0.223 -11.828
142 HG23 THR 18 HG23 THR 18 -1.172 0.492 -11.532
143 H ASN 19 HN ASN 19 -3.033 -1.214 -8.444
144 HA ASN 19 HA ASN 19 -3.319 1.625 -8.554
145 HB2 ASN 19 HB2 ASN 19 -5.291 0.054 -8.535
146 HB3 ASN 19 HB1 ASN 19 -4.841 -0.432 -6.907
147 HD21 ASN 19 HD21 ASN 19 -6.931 0.155 -6.216
148 HD22 ASN 19 HD22 ASN 19 -7.367 1.775 -5.899
149 H CYS 20 HN CYS 20 -2.565 -0.780 -6.114
150 HA CYS 20 HA CYS 20 -2.212 0.778 -3.815
151 HB2 CYS 20 HB2 CYS 20 -1.991 -1.855 -4.126
152 HB3 CYS 20 HB1 CYS 20 -0.401 -1.453 -4.588
153 H LYS 21 HN LYS 21 0.007 -0.372 -6.261
154 HA LYS 21 HA LYS 21 2.259 0.390 -5.282
155 HB2 LYS 21 HB2 LYS 21 1.516 -0.825 -7.569
156 HB3 LYS 21 HB1 LYS 21 1.990 0.762 -8.184
157 HG2 LYS 21 HG2 LYS 21 4.207 0.507 -7.525
158 HG3 LYS 21 HG1 LYS 21 3.792 -0.896 -6.531
159 HD2 LYS 21 HD2 LYS 21 4.881 -1.559 -8.652
160 HD3 LYS 21 HD1 LYS 21 3.251 -2.204 -8.490
161 HE2 LYS 21 HE2 LYS 21 2.434 -0.328 -9.922
162 HE3 LYS 21 HE1 LYS 21 4.110 0.170 -10.148
163 HZ1 LYS 21 HZ1 LYS 21 2.935 -2.438 -10.946
164 HZ2 LYS 21 HZ2 LYS 21 4.555 -2.007 -11.147
165 HZ3 LYS 21 HZ3 LYS 21 3.344 -1.179 -11.994
166 H ASN 22 HN ASN 22 0.180 2.102 -7.586
167 HA ASN 22 HA ASN 22 1.777 4.390 -7.940
168 HB2 ASN 22 HB2 ASN 22 -1.183 4.021 -8.380
169 HB3 ASN 22 HB1 ASN 22 -0.296 5.467 -8.842
170 HD21 ASN 22 HD21 ASN 22 -1.717 3.635 -10.558
171 HD22 ASN 22 HD22 ASN 22 -0.572 3.019 -11.687
172 H VAL 23 HN VAL 23 -0.959 3.749 -5.784
173 HA VAL 23 HA VAL 23 -1.061 6.341 -4.712
174 HB VAL 23 HB VAL 23 -1.825 3.729 -3.358
175 HG11 VAL 23 HG11 VAL 23 -1.540 5.681 -1.794
176 HG12 VAL 23 HG12 VAL 23 -3.171 5.056 -1.855
177 HG13 VAL 23 HG13 VAL 23 -2.769 6.535 -2.716
178 HG21 VAL 23 HG21 VAL 23 -3.452 5.688 -4.970
179 HG22 VAL 23 HG22 VAL 23 -4.108 4.324 -4.071
180 HG23 VAL 23 HG23 VAL 23 -3.024 4.037 -5.439
181 H CYS 24 HN CYS 24 0.630 3.455 -3.555
182 HA CYS 24 HA CYS 24 1.924 4.583 -1.374
183 HB2 CYS 24 HB2 CYS 24 2.590 2.272 -3.180
184 HB3 CYS 24 HB1 CYS 24 3.545 2.574 -1.748
185 H ARG 25 HN ARG 25 2.895 4.443 -4.746
186 HA ARG 25 HA ARG 25 5.439 5.567 -4.367
187 HB2 ARG 25 HB2 ARG 25 3.690 5.447 -6.818
188 HB3 ARG 25 HB1 ARG 25 5.362 6.008 -6.838
189 HG2 ARG 25 HG2 ARG 25 6.210 3.904 -6.267
190 HG3 ARG 25 HG1 ARG 25 4.642 3.331 -5.704
191 HD2 ARG 25 HD2 ARG 25 5.039 2.270 -7.758
192 HD3 ARG 25 HD1 ARG 25 3.841 3.538 -8.039
193 HE ARG 25 HE ARG 25 6.663 3.859 -8.589
194 HH11 ARG 25 HH11 ARG 25 3.278 4.079 -9.753
195 HH12 ARG 25 HH12 ARG 25 3.654 4.850 -11.194
196 HH21 ARG 25 HH21 ARG 25 7.183 4.931 -10.663
197 HH22 ARG 25 HH22 ARG 25 5.949 5.344 -11.755
198 H THR 26 HN THR 26 2.273 7.007 -4.722
199 HA THR 26 HA THR 26 3.292 9.690 -4.986
200 HB THR 26 HB THR 26 0.562 9.000 -3.893
201 HG1 THR 26 HG1 THR 26 1.580 8.288 -6.290
202 HG21 THR 26 HG21 THR 26 1.547 11.257 -5.644
203 HG22 THR 26 HG22 THR 26 1.190 11.368 -3.922
204 HG23 THR 26 HG23 THR 26 -0.108 11.045 -5.071
205 H GLU 27 HN GLU 27 2.481 7.540 -2.282
206 HA GLU 27 HA GLU 27 2.627 9.591 -0.287
207 HB2 GLU 27 HB2 GLU 27 2.542 6.573 -0.102
208 HB3 GLU 27 HB1 GLU 27 2.651 7.607 1.326
209 HG2 GLU 27 HG2 GLU 27 0.513 8.642 0.758
210 HG3 GLU 27 HG1 GLU 27 0.573 7.804 -0.765
211 H GLY 28 HN GLY 28 4.898 7.602 -1.876
212 HA2 GLY 28 HA2 GLY 28 7.158 8.691 -1.880
213 HA3 GLY 28 HA1 GLY 28 6.994 8.770 -0.131
214 H PHE 29 HN PHE 29 5.820 6.006 -1.754
215 HA PHE 29 HA PHE 29 8.039 4.474 -0.641
216 HB2 PHE 29 HB2 PHE 29 5.252 3.643 -1.405
217 HB3 PHE 29 HB1 PHE 29 6.489 2.549 -0.798
218 HD1 PHE 29 HD1 PHE 29 7.098 2.549 1.504
219 HD2 PHE 29 HD2 PHE 29 4.186 5.244 0.018
220 HE1 PHE 29 HE1 PHE 29 6.400 3.003 3.788
221 HE2 PHE 29 HE2 PHE 29 3.436 5.748 2.271
222 HZ PHE 29 HZ PHE 29 4.541 4.623 4.213
223 HA PRO 30 HA PRO 30 9.444 3.518 -4.714
224 HB2 PRO 30 HB2 PRO 30 10.217 0.882 -4.197
225 HB3 PRO 30 HB1 PRO 30 11.243 2.301 -3.954
226 HG2 PRO 30 HG2 PRO 30 9.737 0.727 -1.966
227 HG3 PRO 30 HG1 PRO 30 11.240 1.644 -1.781
228 HD2 PRO 30 HD2 PRO 30 8.869 2.481 -0.828
229 HD3 PRO 30 HD1 PRO 30 10.149 3.596 -1.335
230 H THR 31 HN THR 31 7.257 1.247 -3.027
231 HA THR 31 HA THR 31 5.833 0.785 -5.429
232 HB THR 31 HB THR 31 7.708 -0.712 -5.837
233 HG1 THR 31 HG1 THR 31 6.404 -2.825 -5.528
234 HG21 THR 31 HG21 THR 31 8.171 -2.632 -4.271
235 HG22 THR 31 HG22 THR 31 7.106 -1.833 -3.096
236 HG23 THR 31 HG23 THR 31 8.572 -1.039 -3.633
237 H GLY 32 HN GLY 32 4.226 -1.099 -4.899
238 HA2 GLY 32 HA2 GLY 32 3.454 -1.274 -2.141
239 HA3 GLY 32 HA1 GLY 32 2.348 -0.349 -3.162
240 H SER 33 HN SER 33 1.662 -2.695 -1.888
241 HA SER 33 HA SER 33 0.789 -4.271 -4.128
242 HB2 SER 33 HB2 SER 33 3.068 -5.239 -3.528
243 HB3 SER 33 HB1 SER 33 2.410 -5.649 -1.957
244 HG SER 33 HG SER 33 1.003 -6.540 -4.201
245 H CYS 34 HN CYS 34 -0.730 -6.052 -3.282
246 HA CYS 34 HA CYS 34 -2.423 -4.683 -1.393
247 HB2 CYS 34 HB2 CYS 34 -3.037 -6.876 -3.352
248 HB3 CYS 34 HB1 CYS 34 -4.201 -5.979 -2.377
249 H ASP 35 HN ASP 35 -3.549 -5.827 0.200
250 HA ASP 35 HA ASP 35 -2.582 -8.448 1.034
251 HB2 ASP 35 HB2 ASP 35 -1.170 -6.769 2.026
252 HB3 ASP 35 HB1 ASP 35 -2.565 -5.852 2.542
253 H PHE 36 HN PHE 36 -4.130 -9.350 2.640
254 HA PHE 36 HA PHE 36 -6.722 -8.036 2.607
255 HB2 PHE 36 HB2 PHE 36 -6.618 -10.038 1.029
256 HB3 PHE 36 HB1 PHE 36 -6.263 -11.035 2.429
257 HD1 PHE 36 HD1 PHE 36 -8.652 -10.887 0.307
258 HD2 PHE 36 HD2 PHE 36 -8.236 -9.819 4.401
259 HE1 PHE 36 HE1 PHE 36 -11.077 -11.216 0.644
260 HE2 PHE 36 HE2 PHE 36 -10.624 -10.133 4.758
261 HZ PHE 36 HZ PHE 36 -12.071 -10.850 2.870
262 H HIS 37 HN HIS 37 -6.805 -7.389 4.589
263 HA HIS 37 HA HIS 37 -6.502 -9.395 6.706
264 HB2 HIS 37 HB2 HIS 37 -4.953 -8.096 7.992
265 HB3 HIS 37 HB1 HIS 37 -4.481 -7.826 6.307
266 HD1 HIS 37 HD1 HIS 37 -5.816 -6.040 9.238
267 HD2 HIS 37 HD2 HIS 37 -4.881 -5.273 5.275
268 HE1 HIS 37 HE1 HIS 37 -5.743 -3.528 9.012
269 HE2 HIS 37 HE2 HIS 37 -4.542 -3.334 6.843
270 H VAL 38 HN VAL 38 -8.529 -7.634 5.148
271 HA VAL 38 HA VAL 38 -10.211 -6.922 7.335
272 HB VAL 38 HB VAL 38 -10.663 -4.606 6.252
273 HG11 VAL 38 HG11 VAL 38 -9.565 -4.728 8.418
274 HG12 VAL 38 HG12 VAL 38 -8.821 -3.461 7.426
275 HG13 VAL 38 HG13 VAL 38 -8.013 -5.008 7.628
276 HG21 VAL 38 HG21 VAL 38 -7.924 -5.103 5.091
277 HG22 VAL 38 HG22 VAL 38 -8.792 -3.580 5.015
278 HG23 VAL 38 HG23 VAL 38 -9.413 -4.999 4.156
279 H ALA 39 HN ALA 39 -12.373 -6.371 6.516
280 HA ALA 39 HA ALA 39 -13.081 -8.021 4.341
281 HB1 ALA 39 HB1 ALA 39 -14.610 -7.664 6.238
282 HB2 ALA 39 HB2 ALA 39 -15.373 -7.212 4.712
283 HB3 ALA 39 HB3 ALA 39 -14.759 -5.963 5.793
284 H GLY 40 HN GLY 40 -11.823 -7.227 2.775
285 HA2 GLY 40 HA2 GLY 40 -12.781 -5.849 0.729
286 HA3 GLY 40 HA1 GLY 40 -12.078 -4.578 1.746
287 H ARG 41 HN ARG 41 -10.314 -4.151 0.411
288 HA ARG 41 HA ARG 41 -8.232 -6.153 0.630
289 HB2 ARG 41 HB2 ARG 41 -9.062 -4.894 -1.998
290 HB3 ARG 41 HB1 ARG 41 -7.501 -5.700 -1.699
291 HG2 ARG 41 HG2 ARG 41 -8.489 -7.659 -1.277
292 HG3 ARG 41 HG1 ARG 41 -10.171 -7.076 -1.300
293 HD2 ARG 41 HD2 ARG 41 -9.820 -8.284 -3.310
294 HD3 ARG 41 HD1 ARG 41 -9.601 -6.604 -3.785
295 HE ARG 41 HE ARG 41 -7.175 -7.018 -3.542
296 HH11 ARG 41 HH11 ARG 41 -9.298 -9.791 -4.191
297 HH12 ARG 41 HH12 ARG 41 -8.136 -10.659 -5.069
298 HH21 ARG 41 HH21 ARG 41 -5.587 -8.199 -4.764
299 HH22 ARG 41 HH22 ARG 41 -5.942 -9.719 -5.419
300 H LYS 42 HN LYS 42 -6.437 -5.243 1.432
301 HA LYS 42 HA LYS 42 -6.506 -2.348 1.550
302 HB2 LYS 42 HB2 LYS 42 -6.782 -3.436 3.708
303 HB3 LYS 42 HB1 LYS 42 -5.356 -4.402 3.474
304 HG2 LYS 42 HG2 LYS 42 -5.015 -2.538 5.037
305 HG3 LYS 42 HG1 LYS 42 -3.943 -2.459 3.647
306 HD2 LYS 42 HD2 LYS 42 -5.279 -0.707 2.659
307 HD3 LYS 42 HD1 LYS 42 -6.493 -0.867 3.941
308 HE2 LYS 42 HE2 LYS 42 -5.035 -0.096 5.562
309 HE3 LYS 42 HE1 LYS 42 -3.624 -0.236 4.521
310 HZ1 LYS 42 HZ1 LYS 42 -5.842 1.781 4.128
311 HZ2 LYS 42 HZ2 LYS 42 -4.453 1.606 3.160
312 HZ3 LYS 42 HZ3 LYS 42 -4.290 2.133 4.697
313 H CYS 43 HN CYS 43 -4.923 -1.252 0.761
314 HA CYS 43 HA CYS 43 -2.754 -2.502 -0.644
315 HB2 CYS 43 HB2 CYS 43 -3.779 -0.691 -1.718
316 HB3 CYS 43 HB1 CYS 43 -3.771 0.285 -0.264
317 H TYR 44 HN TYR 44 -0.653 -2.531 -0.034
318 HA TYR 44 HA TYR 44 0.148 -1.018 2.297
319 HB2 TYR 44 HB2 TYR 44 0.614 -3.903 1.705
320 HB3 TYR 44 HB1 TYR 44 1.725 -2.966 2.691
321 HD1 TYR 44 HD1 TYR 44 -1.790 -4.022 2.442
322 HD2 TYR 44 HD2 TYR 44 1.324 -2.658 4.949
323 HE1 TYR 44 HE1 TYR 44 -3.160 -4.538 4.373
324 HE2 TYR 44 HE2 TYR 44 -0.013 -3.161 6.927
325 HH TYR 44 HH TYR 44 -2.512 -5.130 6.854
326 H CYS 45 HN CYS 45 2.064 -0.213 2.168
327 HA CYS 45 HA CYS 45 3.223 -0.081 -0.461
328 HB2 CYS 45 HB2 CYS 45 3.711 1.580 2.012
329 HB3 CYS 45 HB1 CYS 45 4.212 1.961 0.400
330 H TYR 46 HN TYR 46 5.316 -0.650 -0.832
331 HA TYR 46 HA TYR 46 6.625 -2.033 1.374
332 HB2 TYR 46 HB2 TYR 46 6.548 -2.660 -1.534
333 HB3 TYR 46 HB1 TYR 46 7.839 -3.282 -0.509
334 HD1 TYR 46 HD1 TYR 46 4.099 -3.112 -0.677
335 HD2 TYR 46 HD2 TYR 46 7.535 -5.318 0.460
336 HE1 TYR 46 HE1 TYR 46 2.677 -4.952 -0.079
337 HE2 TYR 46 HE2 TYR 46 6.162 -7.210 1.063
338 HH TYR 46 HH TYR 46 2.915 -7.466 0.116
339 H LYS 47 HN LYS 47 8.603 -1.637 1.862
340 HA LYS 47 HA LYS 47 10.201 0.021 0.139
341 HB2 LYS 47 HB2 LYS 47 10.738 1.636 1.961
342 HB3 LYS 47 HB1 LYS 47 9.088 1.743 1.378
343 HG2 LYS 47 HG2 LYS 47 8.296 0.560 3.352
344 HG3 LYS 47 HG1 LYS 47 9.943 0.341 3.924
345 HD2 LYS 47 HD2 LYS 47 10.192 2.798 4.031
346 HD3 LYS 47 HD1 LYS 47 8.500 2.963 3.566
347 HE2 LYS 47 HE2 LYS 47 8.684 3.155 5.968
348 HE3 LYS 47 HE1 LYS 47 7.871 1.642 5.568
349 HZ1 LYS 47 HZ1 LYS 47 9.516 1.316 7.304
350 HZ2 LYS 47 HZ2 LYS 47 10.737 1.926 6.312
351 HZ3 LYS 47 HZ3 LYS 47 9.996 0.474 5.918
352 HA PRO 48 HA PRO 48 13.261 -2.668 1.784
353 HB2 PRO 48 HB2 PRO 48 15.489 -1.307 1.079
354 HB3 PRO 48 HB1 PRO 48 14.480 -2.135 -0.127
355 HG2 PRO 48 HG2 PRO 48 14.595 0.750 0.545
356 HG3 PRO 48 HG1 PRO 48 14.431 -0.039 -1.037
357 HD2 PRO 48 HD2 PRO 48 12.315 1.034 0.301
358 HD3 PRO 48 HD1 PRO 48 12.186 -0.331 -0.823
359 H CYS 49 HN CYS 49 13.496 -2.855 3.770
360 HA CYS 49 HA CYS 49 14.847 -0.797 5.406
361 HB2 CYS 49 HB2 CYS 49 13.064 -3.138 6.123
362 HB3 CYS 49 HB1 CYS 49 13.921 -2.152 7.323
363 HA PRO 50 HA PRO 50 18.314 -3.566 5.426
364 HB2 PRO 50 HB2 PRO 50 18.456 -3.291 8.385
365 HB3 PRO 50 HB1 PRO 50 19.688 -2.878 7.174
366 HG2 PRO 50 HG2 PRO 50 18.393 -0.969 8.454
367 HG3 PRO 50 HG1 PRO 50 18.792 -0.815 6.730
368 HD2 PRO 50 HD2 PRO 50 16.169 -1.484 7.988
369 HD3 PRO 50 HD1 PRO 50 16.529 -0.441 6.596
Start of MODEL 13
1 H1 ARG 1 HT1 ARG 1 15.185 -5.660 3.779
2 H2 ARG 1 HT2 ARG 1 15.316 -6.984 2.753
3 H3 ARG 1 HT3 ARG 1 15.742 -7.053 4.414
4 HA ARG 1 HA ARG 1 13.424 -7.962 3.869
5 HB2 ARG 1 HB2 ARG 1 13.939 -5.803 5.896
6 HB3 ARG 1 HB1 ARG 1 12.409 -6.652 5.812
7 HG2 ARG 1 HG2 ARG 1 13.453 -8.722 6.381
8 HG3 ARG 1 HG1 ARG 1 15.062 -8.005 6.230
9 HD2 ARG 1 HD2 ARG 1 14.669 -6.563 8.086
10 HD3 ARG 1 HD1 ARG 1 12.986 -7.040 8.183
11 HE ARG 1 HE ARG 1 13.626 -9.180 8.960
12 HH11 ARG 1 HH11 ARG 1 16.399 -6.977 8.744
13 HH12 ARG 1 HH12 ARG 1 17.317 -7.719 9.938
14 HH21 ARG 1 HH21 ARG 1 14.909 -10.278 10.652
15 HH22 ARG 1 HH22 ARG 1 16.445 -9.664 11.058
16 H MET 2 HN MET 2 11.253 -7.441 3.634
17 HA MET 2 HA MET 2 10.730 -4.939 2.173
18 HB2 MET 2 HB2 MET 2 9.436 -7.657 2.009
19 HB3 MET 2 HB1 MET 2 8.790 -6.206 1.259
20 HG2 MET 2 HG2 MET 2 10.763 -6.000 -0.099
21 HG3 MET 2 HG1 MET 2 11.463 -7.417 0.680
22 HE1 MET 2 HE1 MET 2 8.760 -9.290 0.851
23 HE2 MET 2 HE2 MET 2 10.357 -9.891 0.412
24 HE3 MET 2 HE3 MET 2 8.971 -10.233 -0.624
25 H CYS 3 HN CYS 3 10.181 -3.677 3.620
26 HA CYS 3 HA CYS 3 8.519 -4.461 5.810
27 HB2 CYS 3 HB2 CYS 3 9.826 -1.955 4.912
28 HB3 CYS 3 HB1 CYS 3 8.555 -1.848 6.107
29 H LYS 4 HN LYS 4 6.495 -4.774 5.557
30 HA LYS 4 HA LYS 4 5.030 -3.507 3.400
31 HB2 LYS 4 HB2 LYS 4 4.987 -6.001 3.910
32 HB3 LYS 4 HB1 LYS 4 4.108 -5.597 5.375
33 HG2 LYS 4 HG2 LYS 4 2.288 -4.657 4.028
34 HG3 LYS 4 HG1 LYS 4 3.218 -4.988 2.579
35 HD2 LYS 4 HD2 LYS 4 1.613 -6.699 2.785
36 HD3 LYS 4 HD1 LYS 4 3.193 -7.373 3.129
37 HE2 LYS 4 HE2 LYS 4 2.750 -7.245 5.555
38 HE3 LYS 4 HE1 LYS 4 1.153 -6.573 5.224
39 HZ1 LYS 4 HZ1 LYS 4 1.001 -8.950 5.679
40 HZ2 LYS 4 HZ2 LYS 4 2.053 -9.295 4.384
41 HZ3 LYS 4 HZ3 LYS 4 0.565 -8.649 4.095
42 H THR 5 HN THR 5 4.182 -1.606 3.880
43 HA THR 5 HA THR 5 3.207 -1.056 6.586
44 HB THR 5 HB THR 5 4.523 0.601 4.479
45 HG1 THR 5 HG1 THR 5 5.291 -0.736 6.596
46 HG21 THR 5 HG21 THR 5 3.300 1.590 7.079
47 HG22 THR 5 HG22 THR 5 2.822 2.002 5.411
48 HG23 THR 5 HG23 THR 5 4.375 2.529 6.026
49 HA PRO 6 HA PRO 6 -0.751 -0.810 4.371
50 HB2 PRO 6 HB2 PRO 6 -2.171 0.305 6.425
51 HB3 PRO 6 HB1 PRO 6 -1.823 -1.431 6.270
52 HG2 PRO 6 HG2 PRO 6 -0.532 0.586 8.015
53 HG3 PRO 6 HG1 PRO 6 -0.860 -1.129 8.322
54 HD2 PRO 6 HD2 PRO 6 1.614 -0.167 7.638
55 HD3 PRO 6 HD1 PRO 6 1.070 -1.822 7.296
56 H SER 7 HN SER 7 -1.167 0.632 2.920
57 HA SER 7 HA SER 7 -0.229 3.228 2.819
58 HB2 SER 7 HB2 SER 7 -2.658 2.254 1.392
59 HB3 SER 7 HB1 SER 7 -1.341 3.275 0.794
60 HG SER 7 HG SER 7 -0.128 1.606 0.488
61 H GLY 8 HN GLY 8 -1.156 5.176 3.165
62 HA2 GLY 8 HA2 GLY 8 -3.331 5.195 5.085
63 HA3 GLY 8 HA1 GLY 8 -2.234 6.516 4.723
64 H LYS 9 HN LYS 9 -2.798 6.188 1.674
65 HA LYS 9 HA LYS 9 -5.266 7.638 2.050
66 HB2 LYS 9 HB2 LYS 9 -4.821 8.914 0.136
67 HB3 LYS 9 HB1 LYS 9 -3.650 9.095 1.428
68 HG2 LYS 9 HG2 LYS 9 -2.233 7.530 0.179
69 HG3 LYS 9 HG1 LYS 9 -3.309 7.734 -1.203
70 HD2 LYS 9 HD2 LYS 9 -3.207 10.113 -0.749
71 HD3 LYS 9 HD1 LYS 9 -1.890 9.722 0.368
72 HE2 LYS 9 HE2 LYS 9 -0.903 8.403 -1.439
73 HE3 LYS 9 HE1 LYS 9 -2.030 9.166 -2.531
74 HZ1 LYS 9 HZ1 LYS 9 -0.146 10.722 -0.827
75 HZ2 LYS 9 HZ2 LYS 9 -1.082 11.371 -2.083
76 HZ3 LYS 9 HZ3 LYS 9 0.237 10.364 -2.403
77 H PHE 10 HN PHE 10 -4.319 4.846 1.078
78 HA PHE 10 HA PHE 10 -5.833 4.545 -1.335
79 HB2 PHE 10 HB2 PHE 10 -3.790 3.198 -0.553
80 HB3 PHE 10 HB1 PHE 10 -4.978 2.358 0.452
81 HD1 PHE 10 HD1 PHE 10 -6.645 0.884 -0.510
82 HD2 PHE 10 HD2 PHE 10 -3.880 3.050 -2.804
83 HE1 PHE 10 HE1 PHE 10 -7.215 -0.538 -2.435
84 HE2 PHE 10 HE2 PHE 10 -4.407 1.623 -4.811
85 HZ PHE 10 HZ PHE 10 -6.092 -0.169 -4.597
86 H LYS 11 HN LYS 11 -7.873 4.111 -1.474
87 HA LYS 11 HA LYS 11 -9.291 2.666 0.641
88 HB2 LYS 11 HB2 LYS 11 -10.454 4.909 -1.040
89 HB3 LYS 11 HB1 LYS 11 -11.348 3.924 0.101
90 HG2 LYS 11 HG2 LYS 11 -11.040 5.865 1.206
91 HG3 LYS 11 HG1 LYS 11 -9.684 4.897 1.818
92 HD2 LYS 11 HD2 LYS 11 -8.239 6.011 0.166
93 HD3 LYS 11 HD1 LYS 11 -9.610 7.002 -0.336
94 HE2 LYS 11 HE2 LYS 11 -9.783 7.897 1.918
95 HE3 LYS 11 HE1 LYS 11 -8.403 6.913 2.416
96 HZ1 LYS 11 HZ1 LYS 11 -7.114 8.043 0.680
97 HZ2 LYS 11 HZ2 LYS 11 -7.600 9.078 1.935
98 HZ3 LYS 11 HZ3 LYS 11 -8.396 9.120 0.429
99 H GLY 12 HN GLY 12 -11.151 1.462 -0.282
100 HA2 GLY 12 HA2 GLY 12 -12.392 0.712 -2.140
101 HA3 GLY 12 HA1 GLY 12 -11.066 1.196 -3.185
102 H TYR 13 HN TYR 13 -11.055 -0.796 -4.163
103 HA TYR 13 HA TYR 13 -10.244 -3.051 -2.504
104 HB2 TYR 13 HB2 TYR 13 -11.932 -2.809 -4.887
105 HB3 TYR 13 HB1 TYR 13 -10.803 -4.157 -4.907
106 HD1 TYR 13 HD1 TYR 13 -11.074 -6.003 -3.527
107 HD2 TYR 13 HD2 TYR 13 -13.652 -2.666 -3.082
108 HE1 TYR 13 HE1 TYR 13 -12.493 -7.342 -2.117
109 HE2 TYR 13 HE2 TYR 13 -15.137 -4.002 -1.643
110 HH TYR 13 HH TYR 13 -15.652 -6.355 -1.186
111 H CYS 14 HN CYS 14 -8.139 -3.275 -2.441
112 HA CYS 14 HA CYS 14 -6.503 -2.585 -4.695
113 HB2 CYS 14 HB2 CYS 14 -5.861 -2.366 -2.196
114 HB3 CYS 14 HB1 CYS 14 -5.587 -4.099 -2.260
115 H VAL 15 HN VAL 15 -7.907 -4.138 -5.855
116 HA VAL 15 HA VAL 15 -7.227 -6.902 -5.880
117 HB VAL 15 HB VAL 15 -8.263 -5.168 -8.148
118 HG11 VAL 15 HG11 VAL 15 -9.018 -7.279 -9.172
119 HG12 VAL 15 HG12 VAL 15 -8.162 -8.175 -7.910
120 HG13 VAL 15 HG13 VAL 15 -7.265 -7.151 -9.041
121 HG21 VAL 15 HG21 VAL 15 -10.464 -6.101 -7.590
122 HG22 VAL 15 HG22 VAL 15 -9.767 -5.194 -6.250
123 HG23 VAL 15 HG23 VAL 15 -9.748 -6.957 -6.221
124 H ASN 16 HN ASN 16 -6.178 -4.146 -7.760
125 HA ASN 16 HA ASN 16 -4.004 -5.700 -8.910
126 HB2 ASN 16 HB2 ASN 16 -5.216 -4.762 -10.649
127 HB3 ASN 16 HB1 ASN 16 -5.515 -3.270 -9.781
128 HD21 ASN 16 HD21 ASN 16 -3.136 -5.030 -11.715
129 HD22 ASN 16 HD22 ASN 16 -2.138 -3.658 -11.990
130 H ASN 17 HN ASN 17 -2.079 -5.505 -8.311
131 HA ASN 17 HA ASN 17 -1.183 -3.971 -6.155
132 HB2 ASN 17 HB2 ASN 17 0.362 -5.475 -8.265
133 HB3 ASN 17 HB1 ASN 17 1.111 -4.734 -6.858
134 HD21 ASN 17 HD21 ASN 17 0.870 -7.574 -7.735
135 HD22 ASN 17 HD22 ASN 17 0.146 -8.363 -6.380
136 H THR 18 HN THR 18 -1.132 -3.270 -9.578
137 HA THR 18 HA THR 18 0.881 -1.315 -9.640
138 HB THR 18 HB THR 18 -1.609 -1.498 -11.354
139 HG1 THR 18 HG1 THR 18 0.464 -2.790 -12.416
140 HG21 THR 18 HG21 THR 18 -0.152 0.442 -11.781
141 HG22 THR 18 HG22 THR 18 -0.132 -0.717 -13.116
142 HG23 THR 18 HG23 THR 18 1.225 -0.653 -11.987
143 H ASN 19 HN ASN 19 -2.643 -1.156 -8.822
144 HA ASN 19 HA ASN 19 -2.907 1.666 -8.847
145 HB2 ASN 19 HB2 ASN 19 -4.832 -0.005 -8.945
146 HB3 ASN 19 HB1 ASN 19 -4.480 -0.358 -7.253
147 HD21 ASN 19 HD21 ASN 19 -6.558 0.283 -6.611
148 HD22 ASN 19 HD22 ASN 19 -6.970 1.958 -6.553
149 H CYS 20 HN CYS 20 -2.376 -0.803 -6.435
150 HA CYS 20 HA CYS 20 -2.186 0.645 -4.054
151 HB2 CYS 20 HB2 CYS 20 -1.940 -1.934 -4.544
152 HB3 CYS 20 HB1 CYS 20 -0.300 -1.534 -4.811
153 H LYS 21 HN LYS 21 0.094 -0.295 -6.455
154 HA LYS 21 HA LYS 21 2.340 0.425 -5.389
155 HB2 LYS 21 HB2 LYS 21 1.556 -0.636 -7.731
156 HB3 LYS 21 HB1 LYS 21 2.078 0.962 -8.244
157 HG2 LYS 21 HG2 LYS 21 4.274 0.583 -7.603
158 HG3 LYS 21 HG1 LYS 21 3.832 -0.921 -6.768
159 HD2 LYS 21 HD2 LYS 21 3.172 -1.965 -8.794
160 HD3 LYS 21 HD1 LYS 21 3.316 -0.455 -9.689
161 HE2 LYS 21 HE2 LYS 21 5.134 -1.858 -10.182
162 HE3 LYS 21 HE1 LYS 21 5.636 -0.427 -9.253
163 HZ1 LYS 21 HZ1 LYS 21 5.804 -1.854 -7.244
164 HZ2 LYS 21 HZ2 LYS 21 6.771 -2.478 -8.465
165 HZ3 LYS 21 HZ3 LYS 21 5.281 -3.183 -8.143
166 H ASN 22 HN ASN 22 0.266 2.158 -7.703
167 HA ASN 22 HA ASN 22 1.703 4.539 -7.975
168 HB2 ASN 22 HB2 ASN 22 -1.252 4.034 -8.346
169 HB3 ASN 22 HB1 ASN 22 -0.454 5.538 -8.778
170 HD21 ASN 22 HD21 ASN 22 -1.864 3.662 -10.465
171 HD22 ASN 22 HD22 ASN 22 -0.740 3.148 -11.669
172 H VAL 23 HN VAL 23 -1.008 3.748 -5.841
173 HA VAL 23 HA VAL 23 -1.181 6.288 -4.688
174 HB VAL 23 HB VAL 23 -1.940 3.621 -3.462
175 HG11 VAL 23 HG11 VAL 23 -3.440 4.946 -2.012
176 HG12 VAL 23 HG12 VAL 23 -2.773 6.419 -2.713
177 HG13 VAL 23 HG13 VAL 23 -1.742 5.357 -1.757
178 HG21 VAL 23 HG21 VAL 23 -3.489 5.604 -5.121
179 HG22 VAL 23 HG22 VAL 23 -4.251 4.387 -4.128
180 HG23 VAL 23 HG23 VAL 23 -3.199 3.882 -5.469
181 H CYS 24 HN CYS 24 0.575 3.410 -3.604
182 HA CYS 24 HA CYS 24 1.786 4.534 -1.356
183 HB2 CYS 24 HB2 CYS 24 2.557 2.269 -3.163
184 HB3 CYS 24 HB1 CYS 24 3.515 2.639 -1.746
185 H ARG 25 HN ARG 25 2.837 4.477 -4.703
186 HA ARG 25 HA ARG 25 5.342 5.660 -4.236
187 HB2 ARG 25 HB2 ARG 25 3.637 5.553 -6.721
188 HB3 ARG 25 HB1 ARG 25 5.287 6.171 -6.704
189 HG2 ARG 25 HG2 ARG 25 6.205 4.082 -6.213
190 HG3 ARG 25 HG1 ARG 25 4.665 3.440 -5.645
191 HD2 ARG 25 HD2 ARG 25 5.077 2.444 -7.744
192 HD3 ARG 25 HD1 ARG 25 3.823 3.667 -7.961
193 HE ARG 25 HE ARG 25 6.586 4.281 -8.505
194 HH11 ARG 25 HH11 ARG 25 3.257 3.924 -9.767
195 HH12 ARG 25 HH12 ARG 25 3.584 4.552 -11.280
196 HH21 ARG 25 HH21 ARG 25 7.055 5.169 -10.684
197 HH22 ARG 25 HH22 ARG 25 5.813 5.276 -11.841
198 H THR 26 HN THR 26 2.143 6.913 -4.629
199 HA THR 26 HA THR 26 3.014 9.656 -4.793
200 HB THR 26 HB THR 26 0.174 8.642 -4.361
201 HG1 THR 26 HG1 THR 26 1.137 7.725 -6.281
202 HG21 THR 26 HG21 THR 26 1.229 11.180 -5.639
203 HG22 THR 26 HG22 THR 26 0.520 11.076 -4.029
204 HG23 THR 26 HG23 THR 26 -0.470 10.742 -5.450
205 H GLU 27 HN GLU 27 2.165 7.387 -2.239
206 HA GLU 27 HA GLU 27 1.909 9.414 -0.235
207 HB2 GLU 27 HB2 GLU 27 2.300 6.409 0.013
208 HB3 GLU 27 HB1 GLU 27 2.190 7.470 1.416
209 HG2 GLU 27 HG2 GLU 27 -0.024 8.207 0.619
210 HG3 GLU 27 HG1 GLU 27 0.132 7.047 -0.700
211 H GLY 28 HN GLY 28 4.491 7.364 -1.359
212 HA2 GLY 28 HA2 GLY 28 6.647 8.785 -1.371
213 HA3 GLY 28 HA1 GLY 28 6.373 8.838 0.367
214 H PHE 29 HN PHE 29 5.823 6.133 -1.814
215 HA PHE 29 HA PHE 29 7.911 4.642 -0.400
216 HB2 PHE 29 HB2 PHE 29 5.173 3.719 -1.242
217 HB3 PHE 29 HB1 PHE 29 6.428 2.653 -0.637
218 HD1 PHE 29 HD1 PHE 29 6.884 2.505 1.682
219 HD2 PHE 29 HD2 PHE 29 4.089 5.336 0.204
220 HE1 PHE 29 HE1 PHE 29 6.050 2.841 3.946
221 HE2 PHE 29 HE2 PHE 29 3.229 5.720 2.450
222 HZ PHE 29 HZ PHE 29 4.211 4.468 4.371
223 HA PRO 30 HA PRO 30 9.386 3.646 -4.456
224 HB2 PRO 30 HB2 PRO 30 10.210 1.041 -3.970
225 HB3 PRO 30 HB1 PRO 30 11.188 2.472 -3.619
226 HG2 PRO 30 HG2 PRO 30 9.598 0.799 -1.778
227 HG3 PRO 30 HG1 PRO 30 11.100 1.692 -1.488
228 HD2 PRO 30 HD2 PRO 30 8.704 2.532 -0.592
229 HD3 PRO 30 HD1 PRO 30 10.013 3.644 -1.022
230 H THR 31 HN THR 31 7.247 1.271 -2.817
231 HA THR 31 HA THR 31 5.876 0.870 -5.274
232 HB THR 31 HB THR 31 7.717 -0.637 -5.664
233 HG1 THR 31 HG1 THR 31 5.960 -2.575 -4.847
234 HG21 THR 31 HG21 THR 31 8.588 -0.936 -3.457
235 HG22 THR 31 HG22 THR 31 8.189 -2.550 -4.068
236 HG23 THR 31 HG23 THR 31 7.120 -1.734 -2.922
237 H GLY 32 HN GLY 32 4.129 -0.869 -4.888
238 HA2 GLY 32 HA2 GLY 32 3.279 -1.072 -2.172
239 HA3 GLY 32 HA1 GLY 32 2.225 -0.176 -3.280
240 H SER 33 HN SER 33 1.648 -2.596 -2.028
241 HA SER 33 HA SER 33 0.865 -4.173 -4.269
242 HB2 SER 33 HB2 SER 33 2.984 -5.010 -2.384
243 HB3 SER 33 HB1 SER 33 2.014 -6.280 -3.149
244 HG SER 33 HG SER 33 3.019 -4.244 -4.718
245 H CYS 34 HN CYS 34 -0.740 -5.773 -3.669
246 HA CYS 34 HA CYS 34 -2.337 -4.679 -1.549
247 HB2 CYS 34 HB2 CYS 34 -2.991 -6.809 -3.554
248 HB3 CYS 34 HB1 CYS 34 -4.127 -5.902 -2.562
249 H ASP 35 HN ASP 35 -3.155 -5.748 0.181
250 HA ASP 35 HA ASP 35 -2.577 -8.524 0.736
251 HB2 ASP 35 HB2 ASP 35 -0.565 -7.122 1.456
252 HB3 ASP 35 HB1 ASP 35 -1.646 -6.268 2.492
253 H PHE 36 HN PHE 36 -3.507 -8.500 3.498
254 HA PHE 36 HA PHE 36 -6.173 -7.318 3.172
255 HB2 PHE 36 HB2 PHE 36 -6.038 -9.711 2.418
256 HB3 PHE 36 HB1 PHE 36 -5.551 -10.140 4.039
257 HD1 PHE 36 HD1 PHE 36 -7.447 -8.861 5.812
258 HD2 PHE 36 HD2 PHE 36 -8.071 -10.455 1.930
259 HE1 PHE 36 HE1 PHE 36 -9.795 -9.346 6.399
260 HE2 PHE 36 HE2 PHE 36 -10.435 -10.909 2.487
261 HZ PHE 36 HZ PHE 36 -11.291 -10.362 4.729
262 H HIS 37 HN HIS 37 -6.608 -6.152 4.999
263 HA HIS 37 HA HIS 37 -6.348 -7.518 7.528
264 HB2 HIS 37 HB2 HIS 37 -5.232 -5.784 8.774
265 HB3 HIS 37 HB1 HIS 37 -4.349 -5.943 7.269
266 HD1 HIS 37 HD1 HIS 37 -3.635 -3.982 6.328
267 HD2 HIS 37 HD2 HIS 37 -6.989 -3.389 8.542
268 HE1 HIS 37 HE1 HIS 37 -4.111 -1.476 6.189
269 HE2 HIS 37 HE2 HIS 37 -5.776 -1.202 8.062
270 H VAL 38 HN VAL 38 -8.263 -6.532 5.440
271 HA VAL 38 HA VAL 38 -10.201 -5.410 7.190
272 HB VAL 38 HB VAL 38 -10.782 -3.682 5.289
273 HG11 VAL 38 HG11 VAL 38 -8.355 -3.194 7.017
274 HG12 VAL 38 HG12 VAL 38 -10.028 -3.004 7.544
275 HG13 VAL 38 HG13 VAL 38 -9.369 -1.952 6.289
276 HG21 VAL 38 HG21 VAL 38 -8.879 -2.875 3.992
277 HG22 VAL 38 HG22 VAL 38 -9.068 -4.617 3.699
278 HG23 VAL 38 HG23 VAL 38 -7.836 -4.021 4.811
279 H ALA 39 HN ALA 39 -12.305 -5.567 6.213
280 HA ALA 39 HA ALA 39 -12.592 -7.846 4.543
281 HB1 ALA 39 HB1 ALA 39 -14.681 -5.861 5.478
282 HB2 ALA 39 HB2 ALA 39 -14.233 -7.348 6.315
283 HB3 ALA 39 HB3 ALA 39 -15.008 -7.426 4.731
284 H GLY 40 HN GLY 40 -11.479 -7.256 2.812
285 HA2 GLY 40 HA2 GLY 40 -12.654 -6.563 0.533
286 HA3 GLY 40 HA1 GLY 40 -12.143 -5.004 1.199
287 H ARG 41 HN ARG 41 -10.386 -4.500 0.012
288 HA ARG 41 HA ARG 41 -8.150 -6.324 0.279
289 HB2 ARG 41 HB2 ARG 41 -9.167 -5.248 -2.341
290 HB3 ARG 41 HB1 ARG 41 -7.485 -5.780 -2.109
291 HG2 ARG 41 HG2 ARG 41 -8.139 -7.780 -1.470
292 HG3 ARG 41 HG1 ARG 41 -9.895 -7.511 -1.543
293 HD2 ARG 41 HD2 ARG 41 -9.363 -8.760 -3.509
294 HD3 ARG 41 HD1 ARG 41 -9.381 -7.093 -4.073
295 HE ARG 41 HE ARG 41 -6.915 -7.147 -3.769
296 HH11 ARG 41 HH11 ARG 41 -8.648 -10.184 -4.390
297 HH12 ARG 41 HH12 ARG 41 -7.361 -10.920 -5.219
298 HH21 ARG 41 HH21 ARG 41 -5.162 -8.140 -4.929
299 HH22 ARG 41 HH22 ARG 41 -5.293 -9.710 -5.545
300 H LYS 42 HN LYS 42 -6.416 -5.366 1.004
301 HA LYS 42 HA LYS 42 -6.539 -2.447 1.074
302 HB2 LYS 42 HB2 LYS 42 -6.755 -3.524 3.266
303 HB3 LYS 42 HB1 LYS 42 -5.241 -4.355 3.068
304 HG2 LYS 42 HG2 LYS 42 -5.054 -2.457 4.560
305 HG3 LYS 42 HG1 LYS 42 -4.046 -2.242 3.134
306 HD2 LYS 42 HD2 LYS 42 -5.513 -0.626 2.226
307 HD3 LYS 42 HD1 LYS 42 -6.798 -0.998 3.393
308 HE2 LYS 42 HE2 LYS 42 -5.516 -0.095 5.157
309 HE3 LYS 42 HE1 LYS 42 -4.085 0.099 4.153
310 HZ1 LYS 42 HZ1 LYS 42 -5.470 1.734 2.771
311 HZ2 LYS 42 HZ2 LYS 42 -4.988 2.252 4.243
312 HZ3 LYS 42 HZ3 LYS 42 -6.603 1.763 4.030
313 H CYS 43 HN CYS 43 -4.773 -1.285 0.676
314 HA CYS 43 HA CYS 43 -2.695 -2.494 -0.915
315 HB2 CYS 43 HB2 CYS 43 -3.880 -0.531 -1.713
316 HB3 CYS 43 HB1 CYS 43 -3.492 0.327 -0.240
317 H TYR 44 HN TYR 44 -0.584 -2.575 -0.228
318 HA TYR 44 HA TYR 44 0.100 -1.189 2.221
319 HB2 TYR 44 HB2 TYR 44 0.797 -3.983 1.404
320 HB3 TYR 44 HB1 TYR 44 1.734 -3.066 2.569
321 HD1 TYR 44 HD1 TYR 44 1.185 -3.177 4.807
322 HD2 TYR 44 HD2 TYR 44 -1.682 -4.290 1.908
323 HE1 TYR 44 HE1 TYR 44 -0.238 -4.086 6.576
324 HE2 TYR 44 HE2 TYR 44 -3.124 -5.177 3.674
325 HH TYR 44 HH TYR 44 -2.610 -6.182 5.925
326 H CYS 45 HN CYS 45 1.968 -0.304 2.158
327 HA CYS 45 HA CYS 45 3.219 -0.077 -0.405
328 HB2 CYS 45 HB2 CYS 45 3.560 1.461 2.155
329 HB3 CYS 45 HB1 CYS 45 4.234 1.909 0.631
330 H TYR 46 HN TYR 46 5.229 -0.748 -0.739
331 HA TYR 46 HA TYR 46 6.467 -2.176 1.467
332 HB2 TYR 46 HB2 TYR 46 6.486 -2.716 -1.466
333 HB3 TYR 46 HB1 TYR 46 7.687 -3.428 -0.401
334 HD1 TYR 46 HD1 TYR 46 7.254 -5.477 0.496
335 HD2 TYR 46 HD2 TYR 46 3.924 -3.152 -0.771
336 HE1 TYR 46 HE1 TYR 46 5.784 -7.338 0.980
337 HE2 TYR 46 HE2 TYR 46 2.445 -4.958 -0.273
338 HH TYR 46 HH TYR 46 2.557 -7.462 -0.104
339 H LYS 47 HN LYS 47 8.393 -1.781 2.058
340 HA LYS 47 HA LYS 47 10.041 -0.094 0.425
341 HB2 LYS 47 HB2 LYS 47 10.605 1.351 2.457
342 HB3 LYS 47 HB1 LYS 47 9.075 1.644 1.657
343 HG2 LYS 47 HG2 LYS 47 7.905 0.434 3.428
344 HG3 LYS 47 HG1 LYS 47 9.442 0.069 4.210
345 HD2 LYS 47 HD2 LYS 47 9.852 2.396 4.642
346 HD3 LYS 47 HD1 LYS 47 8.452 2.869 3.682
347 HE2 LYS 47 HE2 LYS 47 7.977 2.999 6.090
348 HE3 LYS 47 HE1 LYS 47 6.968 1.794 5.299
349 HZ1 LYS 47 HZ1 LYS 47 9.395 1.228 6.906
350 HZ2 LYS 47 HZ2 LYS 47 8.429 0.089 6.087
351 HZ3 LYS 47 HZ3 LYS 47 7.772 0.977 7.351
352 HA PRO 48 HA PRO 48 13.023 -3.000 1.769
353 HB2 PRO 48 HB2 PRO 48 15.235 -1.701 0.911
354 HB3 PRO 48 HB1 PRO 48 14.102 -2.463 -0.225
355 HG2 PRO 48 HG2 PRO 48 14.347 0.403 0.518
356 HG3 PRO 48 HG1 PRO 48 14.074 -0.332 -1.075
357 HD2 PRO 48 HD2 PRO 48 12.037 0.737 0.373
358 HD3 PRO 48 HD1 PRO 48 11.843 -0.651 -0.715
359 H CYS 49 HN CYS 49 13.367 -3.233 3.743
360 HA CYS 49 HA CYS 49 15.012 -1.316 5.233
361 HB2 CYS 49 HB2 CYS 49 13.970 -2.681 7.211
362 HB3 CYS 49 HB1 CYS 49 12.994 -1.429 6.451
363 HA PRO 50 HA PRO 50 18.148 -4.413 5.217
364 HB2 PRO 50 HB2 PRO 50 18.824 -4.655 7.904
365 HB3 PRO 50 HB1 PRO 50 19.439 -3.376 6.837
366 HG2 PRO 50 HG2 PRO 50 17.223 -3.256 8.804
367 HG3 PRO 50 HG1 PRO 50 18.443 -2.033 8.398
368 HD2 PRO 50 HD2 PRO 50 15.944 -1.835 7.485
369 HD3 PRO 50 HD1 PRO 50 17.334 -1.346 6.500
Start of MODEL 14
1 H1 ARG 1 HT1 ARG 1 15.156 -5.220 4.201
2 H2 ARG 1 HT2 ARG 1 15.270 -6.673 3.364
3 H3 ARG 1 HT3 ARG 1 15.714 -6.517 5.015
4 HA ARG 1 HA ARG 1 13.388 -7.481 4.618
5 HB2 ARG 1 HB2 ARG 1 13.933 -5.069 6.329
6 HB3 ARG 1 HB1 ARG 1 12.404 -5.924 6.385
7 HG2 ARG 1 HG2 ARG 1 13.454 -7.891 7.221
8 HG3 ARG 1 HG1 ARG 1 15.061 -7.216 6.931
9 HD2 ARG 1 HD2 ARG 1 14.729 -5.531 8.577
10 HD3 ARG 1 HD1 ARG 1 13.044 -5.964 8.776
11 HE ARG 1 HE ARG 1 13.680 -7.993 9.824
12 HH11 ARG 1 HH11 ARG 1 16.462 -5.855 9.281
13 HH12 ARG 1 HH12 ARG 1 17.390 -6.438 10.553
14 HH21 ARG 1 HH21 ARG 1 14.980 -8.859 11.636
15 HH22 ARG 1 HH22 ARG 1 16.525 -8.204 11.936
16 H MET 2 HN MET 2 11.197 -6.956 4.350
17 HA MET 2 HA MET 2 10.691 -4.662 2.581
18 HB2 MET 2 HB2 MET 2 9.391 -7.385 2.751
19 HB3 MET 2 HB1 MET 2 8.721 -6.032 1.854
20 HG2 MET 2 HG2 MET 2 10.634 -5.981 0.412
21 HG3 MET 2 HG1 MET 2 11.413 -7.241 1.368
22 HE1 MET 2 HE1 MET 2 11.035 -7.356 -1.833
23 HE2 MET 2 HE2 MET 2 10.543 -9.038 -2.044
24 HE3 MET 2 HE3 MET 2 11.828 -8.631 -0.906
25 H CYS 3 HN CYS 3 10.134 -3.207 3.866
26 HA CYS 3 HA CYS 3 8.495 -3.722 6.154
27 HB2 CYS 3 HB2 CYS 3 9.823 -1.347 4.965
28 HB3 CYS 3 HB1 CYS 3 8.594 -1.102 6.190
29 H LYS 4 HN LYS 4 6.449 -4.032 5.960
30 HA LYS 4 HA LYS 4 4.985 -2.914 3.716
31 HB2 LYS 4 HB2 LYS 4 4.843 -5.366 4.370
32 HB3 LYS 4 HB1 LYS 4 4.014 -4.854 5.832
33 HG2 LYS 4 HG2 LYS 4 2.199 -3.918 4.491
34 HG3 LYS 4 HG1 LYS 4 3.086 -4.316 3.035
35 HD2 LYS 4 HD2 LYS 4 1.391 -5.955 3.322
36 HD3 LYS 4 HD1 LYS 4 2.943 -6.703 3.629
37 HE2 LYS 4 HE2 LYS 4 2.576 -6.543 6.046
38 HE3 LYS 4 HE1 LYS 4 1.019 -5.766 5.760
39 HZ1 LYS 4 HZ1 LYS 4 0.815 -8.182 6.216
40 HZ2 LYS 4 HZ2 LYS 4 1.671 -8.513 4.788
41 HZ3 LYS 4 HZ3 LYS 4 0.194 -7.769 4.728
42 H THR 5 HN THR 5 4.166 -0.994 4.018
43 HA THR 5 HA THR 5 3.374 -0.043 6.679
44 HB THR 5 HB THR 5 4.170 1.345 4.135
45 HG1 THR 5 HG1 THR 5 5.592 0.172 5.826
46 HG21 THR 5 HG21 THR 5 2.618 2.718 5.372
47 HG22 THR 5 HG22 THR 5 4.239 3.402 5.437
48 HG23 THR 5 HG23 THR 5 3.582 2.550 6.852
49 HA PRO 6 HA PRO 6 -0.798 -0.111 4.816
50 HB2 PRO 6 HB2 PRO 6 -1.791 1.501 6.996
51 HB3 PRO 6 HB1 PRO 6 -2.041 -0.232 6.690
52 HG2 PRO 6 HG2 PRO 6 -0.586 0.751 8.788
53 HG3 PRO 6 HG1 PRO 6 -0.405 -0.871 8.099
54 HD2 PRO 6 HD2 PRO 6 1.316 1.531 7.709
55 HD3 PRO 6 HD1 PRO 6 1.744 -0.192 7.769
56 H SER 7 HN SER 7 -1.119 1.158 3.090
57 HA SER 7 HA SER 7 -0.413 3.803 2.750
58 HB2 SER 7 HB2 SER 7 -2.720 2.474 1.392
59 HB3 SER 7 HB1 SER 7 -1.475 3.530 0.705
60 HG SER 7 HG SER 7 -0.158 1.941 0.543
61 H GLY 8 HN GLY 8 -1.682 5.719 2.771
62 HA2 GLY 8 HA2 GLY 8 -3.994 5.518 4.583
63 HA3 GLY 8 HA1 GLY 8 -2.890 6.878 4.516
64 H LYS 9 HN LYS 9 -3.035 6.652 1.393
65 HA LYS 9 HA LYS 9 -5.517 8.209 1.370
66 HB2 LYS 9 HB2 LYS 9 -4.438 9.293 -0.680
67 HB3 LYS 9 HB1 LYS 9 -3.829 9.785 0.916
68 HG2 LYS 9 HG2 LYS 9 -1.900 9.457 -0.234
69 HG3 LYS 9 HG1 LYS 9 -2.126 7.851 0.370
70 HD2 LYS 9 HD2 LYS 9 -1.915 7.231 -1.656
71 HD3 LYS 9 HD1 LYS 9 -3.609 7.768 -1.834
72 HE2 LYS 9 HE2 LYS 9 -2.246 8.611 -3.631
73 HE3 LYS 9 HE1 LYS 9 -2.744 9.960 -2.590
74 HZ1 LYS 9 HZ1 LYS 9 -0.365 10.137 -3.122
75 HZ2 LYS 9 HZ2 LYS 9 -0.115 8.566 -2.538
76 HZ3 LYS 9 HZ3 LYS 9 -0.549 9.783 -1.477
77 H PHE 10 HN PHE 10 -4.213 5.557 0.515
78 HA PHE 10 HA PHE 10 -5.574 4.874 -1.895
79 HB2 PHE 10 HB2 PHE 10 -3.856 3.411 -0.542
80 HB3 PHE 10 HB1 PHE 10 -5.331 2.953 0.324
81 HD1 PHE 10 HD1 PHE 10 -6.876 1.392 -0.550
82 HD2 PHE 10 HD2 PHE 10 -3.805 3.037 -2.882
83 HE1 PHE 10 HE1 PHE 10 -7.412 -0.232 -2.322
84 HE2 PHE 10 HE2 PHE 10 -4.288 1.411 -4.726
85 HZ PHE 10 HZ PHE 10 -6.115 -0.226 -4.421
86 H LYS 11 HN LYS 11 -7.638 4.948 -2.147
87 HA LYS 11 HA LYS 11 -9.428 4.226 0.070
88 HB2 LYS 11 HB2 LYS 11 -9.987 6.455 -1.909
89 HB3 LYS 11 HB1 LYS 11 -10.988 5.996 -0.548
90 HG2 LYS 11 HG2 LYS 11 -8.231 7.227 -0.384
91 HG3 LYS 11 HG1 LYS 11 -9.751 8.068 -0.112
92 HD2 LYS 11 HD2 LYS 11 -8.768 5.730 1.542
93 HD3 LYS 11 HD1 LYS 11 -8.526 7.417 1.975
94 HE2 LYS 11 HE2 LYS 11 -11.207 6.078 1.594
95 HE3 LYS 11 HE1 LYS 11 -10.440 6.411 3.145
96 HZ1 LYS 11 HZ1 LYS 11 -10.496 8.754 2.647
97 HZ2 LYS 11 HZ2 LYS 11 -12.063 8.109 2.577
98 HZ3 LYS 11 HZ3 LYS 11 -11.216 8.456 1.146
99 H GLY 12 HN GLY 12 -9.805 2.165 -0.762
100 HA2 GLY 12 HA2 GLY 12 -11.906 1.627 -2.248
101 HA3 GLY 12 HA1 GLY 12 -10.703 1.940 -3.494
102 H TYR 13 HN TYR 13 -11.064 -0.245 -4.101
103 HA TYR 13 HA TYR 13 -10.154 -2.336 -2.307
104 HB2 TYR 13 HB2 TYR 13 -11.679 -2.232 -4.825
105 HB3 TYR 13 HB1 TYR 13 -10.638 -3.630 -4.598
106 HD1 TYR 13 HD1 TYR 13 -13.608 -1.856 -3.353
107 HD2 TYR 13 HD2 TYR 13 -11.078 -5.234 -2.936
108 HE1 TYR 13 HE1 TYR 13 -15.313 -2.953 -1.948
109 HE2 TYR 13 HE2 TYR 13 -12.712 -6.342 -1.553
110 HH TYR 13 HH TYR 13 -14.700 -5.657 -0.051
111 H CYS 14 HN CYS 14 -8.156 -3.122 -2.312
112 HA CYS 14 HA CYS 14 -6.413 -2.395 -4.497
113 HB2 CYS 14 HB2 CYS 14 -5.755 -2.329 -1.988
114 HB3 CYS 14 HB1 CYS 14 -5.610 -4.076 -2.126
115 H VAL 15 HN VAL 15 -8.087 -3.786 -5.632
116 HA VAL 15 HA VAL 15 -7.555 -6.555 -5.789
117 HB VAL 15 HB VAL 15 -8.685 -6.491 -8.049
118 HG11 VAL 15 HG11 VAL 15 -10.136 -5.143 -5.779
119 HG12 VAL 15 HG12 VAL 15 -10.000 -6.878 -6.060
120 HG13 VAL 15 HG13 VAL 15 -10.907 -5.870 -7.186
121 HG21 VAL 15 HG21 VAL 15 -8.034 -4.236 -8.748
122 HG22 VAL 15 HG22 VAL 15 -8.993 -3.542 -7.441
123 HG23 VAL 15 HG23 VAL 15 -9.789 -4.405 -8.756
124 H ASN 16 HN ASN 16 -6.174 -3.772 -7.311
125 HA ASN 16 HA ASN 16 -4.315 -5.464 -8.827
126 HB2 ASN 16 HB2 ASN 16 -5.638 -4.117 -10.326
127 HB3 ASN 16 HB1 ASN 16 -5.334 -2.670 -9.377
128 HD21 ASN 16 HD21 ASN 16 -4.565 -1.613 -11.211
129 HD22 ASN 16 HD22 ASN 16 -3.024 -1.959 -11.901
130 H ASN 17 HN ASN 17 -2.348 -5.506 -8.119
131 HA ASN 17 HA ASN 17 -1.449 -4.000 -5.907
132 HB2 ASN 17 HB2 ASN 17 0.157 -5.696 -7.831
133 HB3 ASN 17 HB1 ASN 17 0.809 -4.983 -6.365
134 HD21 ASN 17 HD21 ASN 17 -1.056 -7.554 -7.712
135 HD22 ASN 17 HD22 ASN 17 -1.309 -8.390 -6.221
136 H THR 18 HN THR 18 -1.093 -3.537 -9.346
137 HA THR 18 HA THR 18 0.961 -1.617 -9.278
138 HB THR 18 HB THR 18 -1.270 -1.900 -11.310
139 HG1 THR 18 HG1 THR 18 -0.286 -3.707 -11.949
140 HG21 THR 18 HG21 THR 18 1.623 -1.013 -11.562
141 HG22 THR 18 HG22 THR 18 0.226 0.062 -11.599
142 HG23 THR 18 HG23 THR 18 0.460 -1.124 -12.884
143 H ASN 19 HN ASN 19 -2.491 -1.435 -8.516
144 HA ASN 19 HA ASN 19 -2.801 1.395 -8.918
145 HB2 ASN 19 HB2 ASN 19 -4.754 -0.224 -8.901
146 HB3 ASN 19 HB1 ASN 19 -4.429 -0.496 -7.190
147 HD21 ASN 19 HD21 ASN 19 -6.478 0.257 -6.546
148 HD22 ASN 19 HD22 ASN 19 -6.851 1.940 -6.634
149 H CYS 20 HN CYS 20 -2.401 -0.838 -6.242
150 HA CYS 20 HA CYS 20 -2.180 0.823 -4.011
151 HB2 CYS 20 HB2 CYS 20 -2.008 -1.805 -4.267
152 HB3 CYS 20 HB1 CYS 20 -0.361 -1.461 -4.550
153 H LYS 21 HN LYS 21 0.073 -0.368 -6.331
154 HA LYS 21 HA LYS 21 2.349 0.314 -5.305
155 HB2 LYS 21 HB2 LYS 21 1.534 -0.816 -7.585
156 HB3 LYS 21 HB1 LYS 21 2.111 0.741 -8.181
157 HG2 LYS 21 HG2 LYS 21 4.295 0.316 -7.443
158 HG3 LYS 21 HG1 LYS 21 3.775 -1.178 -6.640
159 HD2 LYS 21 HD2 LYS 21 3.089 -2.144 -8.724
160 HD3 LYS 21 HD1 LYS 21 3.430 -0.643 -9.579
161 HE2 LYS 21 HE2 LYS 21 5.160 -2.199 -9.981
162 HE3 LYS 21 HE1 LYS 21 5.725 -0.849 -8.971
163 HZ1 LYS 21 HZ1 LYS 21 5.636 -2.292 -7.017
164 HZ2 LYS 21 HZ2 LYS 21 6.560 -3.055 -8.199
165 HZ3 LYS 21 HZ3 LYS 21 4.970 -3.541 -7.939
166 H ASN 22 HN ASN 22 0.353 2.061 -7.695
167 HA ASN 22 HA ASN 22 1.993 4.339 -8.027
168 HB2 ASN 22 HB2 ASN 22 -0.956 3.981 -8.579
169 HB3 ASN 22 HB1 ASN 22 -0.030 5.399 -9.047
170 HD21 ASN 22 HD21 ASN 22 -1.442 3.536 -10.723
171 HD22 ASN 22 HD22 ASN 22 -0.276 2.861 -11.808
172 H VAL 23 HN VAL 23 -0.788 3.688 -6.030
173 HA VAL 23 HA VAL 23 -1.132 6.203 -4.919
174 HB VAL 23 HB VAL 23 -1.695 3.436 -3.821
175 HG11 VAL 23 HG11 VAL 23 -3.013 4.481 -2.052
176 HG12 VAL 23 HG12 VAL 23 -2.795 6.030 -2.792
177 HG13 VAL 23 HG13 VAL 23 -1.415 5.235 -2.035
178 HG21 VAL 23 HG21 VAL 23 -4.022 4.099 -4.401
179 HG22 VAL 23 HG22 VAL 23 -2.940 3.984 -5.784
180 HG23 VAL 23 HG23 VAL 23 -3.365 5.573 -5.108
181 H CYS 24 HN CYS 24 0.712 3.463 -3.658
182 HA CYS 24 HA CYS 24 1.892 4.753 -1.492
183 HB2 CYS 24 HB2 CYS 24 2.624 2.326 -3.094
184 HB3 CYS 24 HB1 CYS 24 3.547 2.770 -1.675
185 H ARG 25 HN ARG 25 2.956 4.413 -4.822
186 HA ARG 25 HA ARG 25 5.496 5.535 -4.442
187 HB2 ARG 25 HB2 ARG 25 3.776 5.385 -6.918
188 HB3 ARG 25 HB1 ARG 25 5.457 5.923 -6.930
189 HG2 ARG 25 HG2 ARG 25 6.266 3.815 -6.289
190 HG3 ARG 25 HG1 ARG 25 4.677 3.275 -5.760
191 HD2 ARG 25 HD2 ARG 25 5.086 2.162 -7.784
192 HD3 ARG 25 HD1 ARG 25 3.958 3.480 -8.139
193 HE ARG 25 HE ARG 25 6.777 3.862 -8.502
194 HH11 ARG 25 HH11 ARG 25 3.561 3.526 -10.061
195 HH12 ARG 25 HH12 ARG 25 4.077 3.995 -11.582
196 HH21 ARG 25 HH21 ARG 25 7.494 4.521 -10.688
197 HH22 ARG 25 HH22 ARG 25 6.383 4.575 -11.974
198 H THR 26 HN THR 26 2.355 6.913 -4.862
199 HA THR 26 HA THR 26 3.343 9.622 -5.104
200 HB THR 26 HB THR 26 0.475 8.755 -4.578
201 HG1 THR 26 HG1 THR 26 1.452 7.740 -6.507
202 HG21 THR 26 HG21 THR 26 -0.094 10.839 -5.741
203 HG22 THR 26 HG22 THR 26 1.618 11.188 -5.971
204 HG23 THR 26 HG23 THR 26 0.935 11.170 -4.346
205 H GLU 27 HN GLU 27 2.608 7.440 -2.462
206 HA GLU 27 HA GLU 27 2.336 9.574 -0.531
207 HB2 GLU 27 HB2 GLU 27 2.549 6.566 -0.156
208 HB3 GLU 27 HB1 GLU 27 2.287 7.716 1.155
209 HG2 GLU 27 HG2 GLU 27 0.216 8.416 0.157
210 HG3 GLU 27 HG1 GLU 27 0.523 7.351 -1.216
211 H GLY 28 HN GLY 28 4.805 7.617 -1.864
212 HA2 GLY 28 HA2 GLY 28 7.046 8.732 -1.736
213 HA3 GLY 28 HA1 GLY 28 6.748 8.852 -0.005
214 H PHE 29 HN PHE 29 6.051 6.121 -2.126
215 HA PHE 29 HA PHE 29 8.091 4.576 -0.702
216 HB2 PHE 29 HB2 PHE 29 5.309 3.717 -1.465
217 HB3 PHE 29 HB1 PHE 29 6.535 2.649 -0.799
218 HD1 PHE 29 HD1 PHE 29 7.096 2.723 1.515
219 HD2 PHE 29 HD2 PHE 29 4.232 5.376 -0.124
220 HE1 PHE 29 HE1 PHE 29 6.360 3.280 3.765
221 HE2 PHE 29 HE2 PHE 29 3.446 5.980 2.092
222 HZ PHE 29 HZ PHE 29 4.510 4.939 4.094
223 HA PRO 30 HA PRO 30 9.431 3.392 -4.757
224 HB2 PRO 30 HB2 PRO 30 10.223 0.802 -4.171
225 HB3 PRO 30 HB1 PRO 30 11.235 2.228 -3.902
226 HG2 PRO 30 HG2 PRO 30 9.638 0.674 -1.958
227 HG3 PRO 30 HG1 PRO 30 11.178 1.526 -1.741
228 HD2 PRO 30 HD2 PRO 30 8.845 2.494 -0.819
229 HD3 PRO 30 HD1 PRO 30 10.171 3.540 -1.357
230 H THR 31 HN THR 31 7.273 1.192 -2.918
231 HA THR 31 HA THR 31 5.843 0.653 -5.310
232 HB THR 31 HB THR 31 7.624 -0.937 -5.621
233 HG1 THR 31 HG1 THR 31 5.809 -2.733 -4.597
234 HG21 THR 31 HG21 THR 31 8.548 -1.087 -3.421
235 HG22 THR 31 HG22 THR 31 8.092 -2.731 -3.897
236 HG23 THR 31 HG23 THR 31 7.078 -1.801 -2.784
237 H GLY 32 HN GLY 32 4.046 -0.958 -4.758
238 HA2 GLY 32 HA2 GLY 32 3.262 -0.962 -2.021
239 HA3 GLY 32 HA1 GLY 32 2.213 -0.087 -3.157
240 H SER 33 HN SER 33 1.559 -2.429 -1.782
241 HA SER 33 HA SER 33 0.798 -4.102 -3.963
242 HB2 SER 33 HB2 SER 33 2.830 -4.891 -1.955
243 HB3 SER 33 HB1 SER 33 1.870 -6.164 -2.741
244 HG SER 33 HG SER 33 2.919 -4.243 -4.365
245 H CYS 34 HN CYS 34 -0.658 -5.897 -3.145
246 HA CYS 34 HA CYS 34 -2.394 -4.570 -1.258
247 HB2 CYS 34 HB2 CYS 34 -2.994 -6.864 -3.110
248 HB3 CYS 34 HB1 CYS 34 -4.144 -5.883 -2.201
249 H ASP 35 HN ASP 35 -3.574 -5.789 0.273
250 HA ASP 35 HA ASP 35 -2.480 -8.325 1.191
251 HB2 ASP 35 HB2 ASP 35 -1.131 -6.605 2.171
252 HB3 ASP 35 HB1 ASP 35 -2.558 -5.717 2.654
253 H PHE 36 HN PHE 36 -3.941 -9.279 2.759
254 HA PHE 36 HA PHE 36 -6.592 -8.133 2.757
255 HB2 PHE 36 HB2 PHE 36 -6.837 -9.930 1.239
256 HB3 PHE 36 HB1 PHE 36 -5.771 -10.971 2.167
257 HD1 PHE 36 HD1 PHE 36 -8.716 -9.009 3.464
258 HD2 PHE 36 HD2 PHE 36 -7.080 -12.823 2.510
259 HE1 PHE 36 HE1 PHE 36 -10.628 -10.065 4.524
260 HE2 PHE 36 HE2 PHE 36 -9.022 -13.915 3.588
261 HZ PHE 36 HZ PHE 36 -10.800 -12.538 4.596
262 H HIS 37 HN HIS 37 -6.896 -7.510 4.643
263 HA HIS 37 HA HIS 37 -6.532 -9.367 6.863
264 HB2 HIS 37 HB2 HIS 37 -5.048 -7.962 8.111
265 HB3 HIS 37 HB1 HIS 37 -4.574 -7.717 6.422
266 HD1 HIS 37 HD1 HIS 37 -6.019 -5.907 9.279
267 HD2 HIS 37 HD2 HIS 37 -5.073 -5.240 5.302
268 HE1 HIS 37 HE1 HIS 37 -6.040 -3.408 8.977
269 HE2 HIS 37 HE2 HIS 37 -4.817 -3.241 6.812
270 H VAL 38 HN VAL 38 -8.587 -7.749 5.142
271 HA VAL 38 HA VAL 38 -10.347 -6.992 7.248
272 HB VAL 38 HB VAL 38 -10.846 -4.733 6.066
273 HG11 VAL 38 HG11 VAL 38 -9.825 -4.754 8.277
274 HG12 VAL 38 HG12 VAL 38 -9.099 -3.486 7.277
275 HG13 VAL 38 HG13 VAL 38 -8.234 -4.990 7.551
276 HG21 VAL 38 HG21 VAL 38 -8.992 -3.676 4.861
277 HG22 VAL 38 HG22 VAL 38 -9.470 -5.164 4.027
278 HG23 VAL 38 HG23 VAL 38 -8.034 -5.131 5.047
279 H ALA 39 HN ALA 39 -12.506 -6.435 6.342
280 HA ALA 39 HA ALA 39 -13.127 -8.223 4.219
281 HB1 ALA 39 HB1 ALA 39 -14.890 -6.180 5.595
282 HB2 ALA 39 HB2 ALA 39 -14.707 -7.866 6.079
283 HB3 ALA 39 HB3 ALA 39 -15.449 -7.468 4.530
284 H GLY 40 HN GLY 40 -11.807 -7.391 2.674
285 HA2 GLY 40 HA2 GLY 40 -12.774 -6.053 0.601
286 HA3 GLY 40 HA1 GLY 40 -12.144 -4.761 1.633
287 H ARG 41 HN ARG 41 -10.393 -4.260 0.310
288 HA ARG 41 HA ARG 41 -8.239 -6.199 0.494
289 HB2 ARG 41 HB2 ARG 41 -9.107 -4.874 -2.084
290 HB3 ARG 41 HB1 ARG 41 -7.532 -5.664 -1.807
291 HG2 ARG 41 HG2 ARG 41 -8.478 -7.640 -1.452
292 HG3 ARG 41 HG1 ARG 41 -10.174 -7.098 -1.440
293 HD2 ARG 41 HD2 ARG 41 -9.831 -8.221 -3.500
294 HD3 ARG 41 HD1 ARG 41 -9.636 -6.520 -3.913
295 HE ARG 41 HE ARG 41 -7.199 -6.921 -3.695
296 HH11 ARG 41 HH11 ARG 41 -9.319 -9.662 -4.489
297 HH12 ARG 41 HH12 ARG 41 -8.162 -10.477 -5.423
298 HH21 ARG 41 HH21 ARG 41 -5.621 -8.025 -4.994
299 HH22 ARG 41 HH22 ARG 41 -5.974 -9.507 -5.736
300 H LYS 42 HN LYS 42 -6.497 -5.244 1.354
301 HA LYS 42 HA LYS 42 -6.636 -2.357 1.490
302 HB2 LYS 42 HB2 LYS 42 -6.837 -3.519 3.641
303 HB3 LYS 42 HB1 LYS 42 -5.364 -4.395 3.376
304 HG2 LYS 42 HG2 LYS 42 -5.089 -2.557 4.959
305 HG3 LYS 42 HG1 LYS 42 -4.069 -2.357 3.542
306 HD2 LYS 42 HD2 LYS 42 -5.532 -0.670 2.657
307 HD3 LYS 42 HD1 LYS 42 -6.717 -0.944 3.951
308 HE2 LYS 42 HE2 LYS 42 -5.194 -0.198 5.571
309 HE3 LYS 42 HE1 LYS 42 -3.871 -0.081 4.411
310 HZ1 LYS 42 HZ1 LYS 42 -4.741 2.138 4.811
311 HZ2 LYS 42 HZ2 LYS 42 -6.324 1.669 4.475
312 HZ3 LYS 42 HZ3 LYS 42 -5.152 1.700 3.261
313 H CYS 43 HN CYS 43 -4.935 -1.171 0.961
314 HA CYS 43 HA CYS 43 -2.811 -2.362 -0.611
315 HB2 CYS 43 HB2 CYS 43 -4.055 -0.534 -1.568
316 HB3 CYS 43 HB1 CYS 43 -3.811 0.438 -0.137
317 H TYR 44 HN TYR 44 -0.699 -2.324 0.046
318 HA TYR 44 HA TYR 44 0.005 -0.760 2.373
319 HB2 TYR 44 HB2 TYR 44 0.571 -3.645 1.841
320 HB3 TYR 44 HB1 TYR 44 1.605 -2.659 2.862
321 HD1 TYR 44 HD1 TYR 44 1.065 -2.290 5.094
322 HD2 TYR 44 HD2 TYR 44 -1.822 -3.895 2.467
323 HE1 TYR 44 HE1 TYR 44 -0.353 -2.817 7.010
324 HE2 TYR 44 HE2 TYR 44 -3.272 -4.426 4.336
325 HH TYR 44 HH TYR 44 -2.731 -4.941 6.815
326 H CYS 45 HN CYS 45 1.931 0.049 2.263
327 HA CYS 45 HA CYS 45 3.176 0.078 -0.334
328 HB2 CYS 45 HB2 CYS 45 3.725 1.771 2.096
329 HB3 CYS 45 HB1 CYS 45 4.246 2.080 0.477
330 H TYR 46 HN TYR 46 5.255 -0.546 -0.641
331 HA TYR 46 HA TYR 46 6.485 -1.902 1.625
332 HB2 TYR 46 HB2 TYR 46 6.414 -2.659 -1.253
333 HB3 TYR 46 HB1 TYR 46 7.630 -3.313 -0.168
334 HD1 TYR 46 HD1 TYR 46 3.890 -3.021 -0.547
335 HD2 TYR 46 HD2 TYR 46 7.182 -5.237 0.977
336 HE1 TYR 46 HE1 TYR 46 2.376 -4.761 0.119
337 HE2 TYR 46 HE2 TYR 46 5.685 -7.034 1.639
338 HH TYR 46 HH TYR 46 2.469 -7.229 0.534
339 H LYS 47 HN LYS 47 8.441 -1.485 2.138
340 HA LYS 47 HA LYS 47 10.076 -0.042 0.271
341 HB2 LYS 47 HB2 LYS 47 10.764 1.599 2.069
342 HB3 LYS 47 HB1 LYS 47 9.159 1.815 1.397
343 HG2 LYS 47 HG2 LYS 47 8.221 0.688 3.395
344 HG3 LYS 47 HG1 LYS 47 9.845 0.584 4.070
345 HD2 LYS 47 HD2 LYS 47 10.039 2.998 4.058
346 HD3 LYS 47 HD1 LYS 47 8.449 3.145 3.311
347 HE2 LYS 47 HE2 LYS 47 7.487 1.993 5.306
348 HE3 LYS 47 HE1 LYS 47 9.084 2.047 6.047
349 HZ1 LYS 47 HZ1 LYS 47 7.479 4.392 5.204
350 HZ2 LYS 47 HZ2 LYS 47 9.017 4.467 5.905
351 HZ3 LYS 47 HZ3 LYS 47 7.700 3.866 6.795
352 HA PRO 48 HA PRO 48 13.037 -2.890 1.808
353 HB2 PRO 48 HB2 PRO 48 15.240 -1.783 0.686
354 HB3 PRO 48 HB1 PRO 48 14.031 -2.645 -0.290
355 HG2 PRO 48 HG2 PRO 48 14.404 0.281 0.057
356 HG3 PRO 48 HG1 PRO 48 13.999 -0.645 -1.406
357 HD2 PRO 48 HD2 PRO 48 12.107 0.693 0.041
358 HD3 PRO 48 HD1 PRO 48 11.786 -0.786 -0.882
359 H CYS 49 HN CYS 49 13.289 -2.779 3.832
360 HA CYS 49 HA CYS 49 15.028 -0.731 5.003
361 HB2 CYS 49 HB2 CYS 49 14.006 -1.783 7.165
362 HB3 CYS 49 HB1 CYS 49 13.012 -0.672 6.230
363 HA PRO 50 HA PRO 50 18.144 -3.826 5.400
364 HB2 PRO 50 HB2 PRO 50 18.394 -3.355 8.319
365 HB3 PRO 50 HB1 PRO 50 19.616 -3.129 7.048
366 HG2 PRO 50 HG2 PRO 50 18.521 -1.036 8.220
367 HG3 PRO 50 HG1 PRO 50 18.870 -1.037 6.480
368 HD2 PRO 50 HD2 PRO 50 16.250 -1.420 7.859
369 HD3 PRO 50 HD1 PRO 50 16.636 -0.479 6.404
Start of MODEL 15
1 H1 ARG 1 HT1 ARG 1 15.259 -5.189 4.274
2 H2 ARG 1 HT2 ARG 1 15.491 -6.564 3.336
3 H3 ARG 1 HT3 ARG 1 15.824 -6.527 5.017
4 HA ARG 1 HA ARG 1 13.577 -7.555 4.404
5 HB2 ARG 1 HB2 ARG 1 13.904 -5.265 6.322
6 HB3 ARG 1 HB1 ARG 1 12.409 -6.174 6.210
7 HG2 ARG 1 HG2 ARG 1 13.492 -8.164 6.962
8 HG3 ARG 1 HG1 ARG 1 15.080 -7.398 6.851
9 HD2 ARG 1 HD2 ARG 1 14.540 -5.862 8.589
10 HD3 ARG 1 HD1 ARG 1 12.869 -6.385 8.622
11 HE ARG 1 HE ARG 1 13.530 -8.459 9.563
12 HH11 ARG 1 HH11 ARG 1 16.232 -6.165 9.395
13 HH12 ARG 1 HH12 ARG 1 17.080 -6.783 10.706
14 HH21 ARG 1 HH21 ARG 1 14.715 -9.381 11.425
15 HH22 ARG 1 HH22 ARG 1 16.194 -8.677 11.898
16 H MET 2 HN MET 2 11.409 -7.149 3.987
17 HA MET 2 HA MET 2 10.849 -4.727 2.408
18 HB2 MET 2 HB2 MET 2 9.708 -7.523 2.309
19 HB3 MET 2 HB1 MET 2 8.964 -6.142 1.521
20 HG2 MET 2 HG2 MET 2 10.889 -5.840 0.134
21 HG3 MET 2 HG1 MET 2 11.740 -7.131 0.980
22 HE1 MET 2 HE1 MET 2 12.282 -8.300 -1.372
23 HE2 MET 2 HE2 MET 2 11.448 -6.991 -2.209
24 HE3 MET 2 HE3 MET 2 11.053 -8.668 -2.582
25 H CYS 3 HN CYS 3 10.207 -3.407 3.776
26 HA CYS 3 HA CYS 3 8.518 -4.143 5.964
27 HB2 CYS 3 HB2 CYS 3 9.789 -1.658 4.975
28 HB3 CYS 3 HB1 CYS 3 8.472 -1.508 6.113
29 H LYS 4 HN LYS 4 6.470 -4.492 5.695
30 HA LYS 4 HA LYS 4 5.055 -3.279 3.473
31 HB2 LYS 4 HB2 LYS 4 4.897 -5.754 4.033
32 HB3 LYS 4 HB1 LYS 4 4.067 -5.292 5.510
33 HG2 LYS 4 HG2 LYS 4 2.264 -4.301 4.216
34 HG3 LYS 4 HG1 LYS 4 3.135 -4.656 2.733
35 HD2 LYS 4 HD2 LYS 4 1.426 -6.285 2.997
36 HD3 LYS 4 HD1 LYS 4 2.987 -7.044 3.256
37 HE2 LYS 4 HE2 LYS 4 2.655 -6.969 5.682
38 HE3 LYS 4 HE1 LYS 4 1.115 -6.141 5.459
39 HZ1 LYS 4 HZ1 LYS 4 0.233 -8.105 4.361
40 HZ2 LYS 4 HZ2 LYS 4 0.787 -8.531 5.854
41 HZ3 LYS 4 HZ3 LYS 4 1.704 -8.891 4.469
42 H THR 5 HN THR 5 4.239 -1.364 3.847
43 HA THR 5 HA THR 5 3.491 -0.519 6.552
44 HB THR 5 HB THR 5 4.363 0.949 4.075
45 HG1 THR 5 HG1 THR 5 5.739 -0.437 5.427
46 HG21 THR 5 HG21 THR 5 2.915 2.333 5.449
47 HG22 THR 5 HG22 THR 5 4.571 2.913 5.489
48 HG23 THR 5 HG23 THR 5 3.914 2.019 6.882
49 HA PRO 6 HA PRO 6 -0.696 -0.368 4.750
50 HB2 PRO 6 HB2 PRO 6 -1.845 1.150 6.725
51 HB3 PRO 6 HB1 PRO 6 -1.611 -0.606 6.840
52 HG2 PRO 6 HG2 PRO 6 -0.038 1.575 8.084
53 HG3 PRO 6 HG1 PRO 6 -0.422 -0.041 8.705
54 HD2 PRO 6 HD2 PRO 6 2.008 0.620 7.658
55 HD3 PRO 6 HD1 PRO 6 1.342 -1.025 7.637
56 H SER 7 HN SER 7 -1.274 0.906 3.186
57 HA SER 7 HA SER 7 -0.230 3.425 2.613
58 HB2 SER 7 HB2 SER 7 -2.177 3.523 0.991
59 HB3 SER 7 HB1 SER 7 -1.114 2.119 0.848
60 HG SER 7 HG SER 7 -2.564 0.861 1.581
61 H GLY 8 HN GLY 8 -1.009 5.471 2.798
62 HA2 GLY 8 HA2 GLY 8 -2.871 5.835 5.014
63 HA3 GLY 8 HA1 GLY 8 -1.715 7.011 4.422
64 H LYS 9 HN LYS 9 -2.713 6.557 1.498
65 HA LYS 9 HA LYS 9 -5.210 8.012 1.980
66 HB2 LYS 9 HB2 LYS 9 -4.624 9.320 -0.044
67 HB3 LYS 9 HB1 LYS 9 -3.769 9.794 1.453
68 HG2 LYS 9 HG2 LYS 9 -2.141 9.842 -0.147
69 HG3 LYS 9 HG1 LYS 9 -2.017 8.199 0.411
70 HD2 LYS 9 HD2 LYS 9 -1.964 8.090 -1.935
71 HD3 LYS 9 HD1 LYS 9 -3.528 7.518 -1.308
72 HE2 LYS 9 HE2 LYS 9 -3.127 10.286 -2.414
73 HE3 LYS 9 HE1 LYS 9 -3.607 8.916 -3.423
74 HZ1 LYS 9 HZ1 LYS 9 -5.587 10.003 -2.852
75 HZ2 LYS 9 HZ2 LYS 9 -5.099 10.277 -1.276
76 HZ3 LYS 9 HZ3 LYS 9 -5.529 8.705 -1.739
77 H PHE 10 HN PHE 10 -3.826 5.598 0.634
78 HA PHE 10 HA PHE 10 -5.577 5.000 -1.528
79 HB2 PHE 10 HB2 PHE 10 -3.580 3.562 -0.663
80 HB3 PHE 10 HB1 PHE 10 -4.805 2.938 0.446
81 HD1 PHE 10 HD1 PHE 10 -6.572 1.456 -0.300
82 HD2 PHE 10 HD2 PHE 10 -3.790 3.193 -2.887
83 HE1 PHE 10 HE1 PHE 10 -7.290 -0.127 -2.048
84 HE2 PHE 10 HE2 PHE 10 -4.454 1.611 -4.726
85 HZ PHE 10 HZ PHE 10 -6.229 -0.051 -4.276
86 H LYS 11 HN LYS 11 -7.588 4.856 -1.518
87 HA LYS 11 HA LYS 11 -9.050 3.857 0.803
88 HB2 LYS 11 HB2 LYS 11 -10.729 5.682 0.318
89 HB3 LYS 11 HB1 LYS 11 -9.207 6.170 1.069
90 HG2 LYS 11 HG2 LYS 11 -8.331 6.874 -1.077
91 HG3 LYS 11 HG1 LYS 11 -9.799 6.326 -1.878
92 HD2 LYS 11 HD2 LYS 11 -9.577 8.400 0.200
93 HD3 LYS 11 HD1 LYS 11 -9.687 8.696 -1.553
94 HE2 LYS 11 HE2 LYS 11 -11.817 7.448 0.243
95 HE3 LYS 11 HE1 LYS 11 -11.931 8.994 -0.588
96 HZ1 LYS 11 HZ1 LYS 11 -13.166 7.264 -1.753
97 HZ2 LYS 11 HZ2 LYS 11 -11.770 6.335 -1.923
98 HZ3 LYS 11 HZ3 LYS 11 -11.892 7.822 -2.715
99 H GLY 12 HN GLY 12 -9.336 1.884 -0.470
100 HA2 GLY 12 HA2 GLY 12 -11.709 1.589 -1.732
101 HA3 GLY 12 HA1 GLY 12 -10.570 1.968 -3.021
102 H TYR 13 HN TYR 13 -11.197 -0.206 -3.698
103 HA TYR 13 HA TYR 13 -10.221 -2.437 -2.161
104 HB2 TYR 13 HB2 TYR 13 -11.951 -2.040 -4.470
105 HB3 TYR 13 HB1 TYR 13 -10.868 -3.412 -4.644
106 HD1 TYR 13 HD1 TYR 13 -11.128 -5.350 -3.345
107 HD2 TYR 13 HD2 TYR 13 -13.628 -1.994 -2.639
108 HE1 TYR 13 HE1 TYR 13 -12.574 -6.751 -1.990
109 HE2 TYR 13 HE2 TYR 13 -15.121 -3.395 -1.261
110 HH TYR 13 HH TYR 13 -15.684 -5.762 -0.960
111 H CYS 14 HN CYS 14 -8.171 -3.050 -2.212
112 HA CYS 14 HA CYS 14 -6.508 -2.294 -4.454
113 HB2 CYS 14 HB2 CYS 14 -5.799 -2.245 -1.961
114 HB3 CYS 14 HB1 CYS 14 -5.635 -3.990 -2.137
115 H VAL 15 HN VAL 15 -8.045 -3.692 -5.650
116 HA VAL 15 HA VAL 15 -7.661 -6.480 -5.774
117 HB VAL 15 HB VAL 15 -8.393 -4.618 -8.057
118 HG11 VAL 15 HG11 VAL 15 -8.771 -7.599 -7.783
119 HG12 VAL 15 HG12 VAL 15 -7.674 -6.770 -8.891
120 HG13 VAL 15 HG13 VAL 15 -9.416 -6.602 -9.089
121 HG21 VAL 15 HG21 VAL 15 -10.171 -6.145 -6.151
122 HG22 VAL 15 HG22 VAL 15 -10.721 -5.223 -7.551
123 HG23 VAL 15 HG23 VAL 15 -9.945 -4.396 -6.202
124 H ASN 16 HN ASN 16 -6.229 -3.896 -7.730
125 HA ASN 16 HA ASN 16 -4.179 -5.779 -8.698
126 HB2 ASN 16 HB2 ASN 16 -5.573 -4.516 -10.370
127 HB3 ASN 16 HB1 ASN 16 -4.901 -3.020 -9.743
128 HD21 ASN 16 HD21 ASN 16 -4.728 -3.898 -12.441
129 HD22 ASN 16 HD22 ASN 16 -3.068 -4.152 -12.807
130 H ASN 17 HN ASN 17 -2.236 -5.639 -7.984
131 HA ASN 17 HA ASN 17 -1.297 -4.061 -5.899
132 HB2 ASN 17 HB2 ASN 17 0.250 -5.534 -8.038
133 HB3 ASN 17 HB1 ASN 17 0.983 -4.839 -6.601
134 HD21 ASN 17 HD21 ASN 17 0.730 -7.642 -7.600
135 HD22 ASN 17 HD22 ASN 17 0.006 -8.490 -6.279
136 H THR 18 HN THR 18 -1.230 -3.485 -9.333
137 HA THR 18 HA THR 18 0.741 -1.488 -9.473
138 HB THR 18 HB THR 18 -1.707 -1.876 -11.216
139 HG1 THR 18 HG1 THR 18 -0.757 -3.782 -11.354
140 HG21 THR 18 HG21 THR 18 1.034 -0.740 -11.857
141 HG22 THR 18 HG22 THR 18 -0.448 0.203 -11.671
142 HG23 THR 18 HG23 THR 18 -0.304 -0.957 -12.992
143 H ASN 19 HN ASN 19 -2.698 -1.356 -8.473
144 HA ASN 19 HA ASN 19 -2.981 1.483 -8.807
145 HB2 ASN 19 HB2 ASN 19 -4.948 -0.116 -8.801
146 HB3 ASN 19 HB1 ASN 19 -4.612 -0.418 -7.096
147 HD21 ASN 19 HD21 ASN 19 -6.668 0.345 -6.472
148 HD22 ASN 19 HD22 ASN 19 -7.017 2.037 -6.517
149 H CYS 20 HN CYS 20 -2.446 -0.821 -6.226
150 HA CYS 20 HA CYS 20 -2.192 0.793 -3.957
151 HB2 CYS 20 HB2 CYS 20 -1.949 -1.830 -4.237
152 HB3 CYS 20 HB1 CYS 20 -0.339 -1.420 -4.637
153 H LYS 21 HN LYS 21 -0.007 -0.337 -6.357
154 HA LYS 21 HA LYS 21 2.299 0.392 -5.431
155 HB2 LYS 21 HB2 LYS 21 1.384 -0.729 -7.696
156 HB3 LYS 21 HB1 LYS 21 1.960 0.828 -8.287
157 HG2 LYS 21 HG2 LYS 21 4.152 0.383 -7.635
158 HG3 LYS 21 HG1 LYS 21 3.661 -1.097 -6.788
159 HD2 LYS 21 HD2 LYS 21 2.883 -2.079 -8.838
160 HD3 LYS 21 HD1 LYS 21 3.236 -0.596 -9.723
161 HE2 LYS 21 HE2 LYS 21 4.927 -2.199 -10.127
162 HE3 LYS 21 HE1 LYS 21 5.528 -0.830 -9.160
163 HZ1 LYS 21 HZ1 LYS 21 6.335 -3.047 -8.363
164 HZ2 LYS 21 HZ2 LYS 21 4.736 -3.466 -8.008
165 HZ3 LYS 21 HZ3 LYS 21 5.483 -2.209 -7.177
166 H ASN 22 HN ASN 22 0.177 2.106 -7.728
167 HA ASN 22 HA ASN 22 1.758 4.398 -8.122
168 HB2 ASN 22 HB2 ASN 22 -1.221 4.025 -8.489
169 HB3 ASN 22 HB1 ASN 22 -0.342 5.465 -8.988
170 HD21 ASN 22 HD21 ASN 22 -1.852 3.605 -10.592
171 HD22 ASN 22 HD22 ASN 22 -0.756 2.963 -11.763
172 H VAL 23 HN VAL 23 -0.938 3.761 -5.956
173 HA VAL 23 HA VAL 23 -1.066 6.323 -4.852
174 HB VAL 23 HB VAL 23 -1.835 3.661 -3.626
175 HG11 VAL 23 HG11 VAL 23 -3.274 4.981 -2.104
176 HG12 VAL 23 HG12 VAL 23 -2.677 6.449 -2.809
177 HG13 VAL 23 HG13 VAL 23 -1.586 5.422 -1.899
178 HG21 VAL 23 HG21 VAL 23 -3.345 5.694 -5.244
179 HG22 VAL 23 HG22 VAL 23 -4.132 4.497 -4.247
180 HG23 VAL 23 HG23 VAL 23 -3.110 3.962 -5.596
181 H CYS 24 HN CYS 24 0.637 3.436 -3.693
182 HA CYS 24 HA CYS 24 1.905 4.629 -1.511
183 HB2 CYS 24 HB2 CYS 24 2.633 2.261 -3.223
184 HB3 CYS 24 HB1 CYS 24 3.530 2.638 -1.768
185 H ARG 25 HN ARG 25 2.854 4.435 -4.883
186 HA ARG 25 HA ARG 25 5.423 5.541 -4.517
187 HB2 ARG 25 HB2 ARG 25 3.675 5.364 -6.970
188 HB3 ARG 25 HB1 ARG 25 5.339 5.946 -7.006
189 HG2 ARG 25 HG2 ARG 25 6.220 3.860 -6.420
190 HG3 ARG 25 HG1 ARG 25 4.671 3.278 -5.817
191 HD2 ARG 25 HD2 ARG 25 5.053 2.178 -7.874
192 HD3 ARG 25 HD1 ARG 25 3.822 3.416 -8.136
193 HE ARG 25 HE ARG 25 6.590 3.958 -8.713
194 HH11 ARG 25 HH11 ARG 25 3.257 3.578 -9.966
195 HH12 ARG 25 HH12 ARG 25 3.593 4.138 -11.502
196 HH21 ARG 25 HH21 ARG 25 7.066 4.754 -10.921
197 HH22 ARG 25 HH22 ARG 25 5.831 4.826 -12.087
198 H THR 26 HN THR 26 2.258 6.899 -4.798
199 HA THR 26 HA THR 26 3.129 9.618 -5.133
200 HB THR 26 HB THR 26 0.448 8.575 -4.152
201 HG1 THR 26 HG1 THR 26 1.121 7.784 -6.275
202 HG21 THR 26 HG21 THR 26 0.794 10.980 -3.756
203 HG22 THR 26 HG22 THR 26 -0.430 10.713 -4.995
204 HG23 THR 26 HG23 THR 26 1.201 11.202 -5.458
205 H GLU 27 HN GLU 27 2.188 7.500 -2.438
206 HA GLU 27 HA GLU 27 2.256 9.494 -0.428
207 HB2 GLU 27 HB2 GLU 27 2.417 6.471 -0.183
208 HB3 GLU 27 HB1 GLU 27 2.236 7.566 1.184
209 HG2 GLU 27 HG2 GLU 27 0.122 8.367 0.223
210 HG3 GLU 27 HG1 GLU 27 0.313 7.206 -1.090
211 H GLY 28 HN GLY 28 4.684 7.567 -1.887
212 HA2 GLY 28 HA2 GLY 28 6.930 8.702 -1.792
213 HA3 GLY 28 HA1 GLY 28 6.672 8.804 -0.057
214 H PHE 29 HN PHE 29 5.826 6.019 -1.960
215 HA PHE 29 HA PHE 29 7.974 4.530 -0.632
216 HB2 PHE 29 HB2 PHE 29 5.220 3.637 -1.441
217 HB3 PHE 29 HB1 PHE 29 6.457 2.579 -0.775
218 HD1 PHE 29 HD1 PHE 29 6.948 2.588 1.542
219 HD2 PHE 29 HD2 PHE 29 4.124 5.295 -0.083
220 HE1 PHE 29 HE1 PHE 29 6.146 3.063 3.786
221 HE2 PHE 29 HE2 PHE 29 3.283 5.818 2.145
222 HZ PHE 29 HZ PHE 29 4.295 4.701 4.126
223 HA PRO 30 HA PRO 30 9.416 3.409 -4.668
224 HB2 PRO 30 HB2 PRO 30 10.166 0.791 -4.089
225 HB3 PRO 30 HB1 PRO 30 11.195 2.205 -3.833
226 HG2 PRO 30 HG2 PRO 30 9.620 0.661 -1.877
227 HG3 PRO 30 HG1 PRO 30 11.135 1.556 -1.660
228 HD2 PRO 30 HD2 PRO 30 8.753 2.453 -0.763
229 HD3 PRO 30 HD1 PRO 30 10.067 3.532 -1.255
230 H THR 31 HN THR 31 7.235 1.157 -2.942
231 HA THR 31 HA THR 31 5.824 0.697 -5.369
232 HB THR 31 HB THR 31 7.623 -0.878 -5.719
233 HG1 THR 31 HG1 THR 31 5.703 -2.655 -4.783
234 HG21 THR 31 HG21 THR 31 8.057 -2.737 -4.068
235 HG22 THR 31 HG22 THR 31 7.019 -1.856 -2.928
236 HG23 THR 31 HG23 THR 31 8.498 -1.123 -3.511
237 H GLY 32 HN GLY 32 4.043 -1.003 -4.889
238 HA2 GLY 32 HA2 GLY 32 3.245 -1.113 -2.171
239 HA3 GLY 32 HA1 GLY 32 2.197 -0.200 -3.276
240 H SER 33 HN SER 33 1.612 -2.590 -1.973
241 HA SER 33 HA SER 33 0.841 -4.237 -4.196
242 HB2 SER 33 HB2 SER 33 2.821 -4.973 -2.131
243 HB3 SER 33 HB1 SER 33 1.858 -6.297 -2.809
244 HG SER 33 HG SER 33 3.649 -6.181 -4.020
245 H CYS 34 HN CYS 34 -0.774 -5.899 -3.439
246 HA CYS 34 HA CYS 34 -2.419 -4.586 -1.464
247 HB2 CYS 34 HB2 CYS 34 -3.079 -6.754 -3.441
248 HB3 CYS 34 HB1 CYS 34 -4.224 -5.858 -2.446
249 H ASP 35 HN ASP 35 -3.531 -5.734 0.128
250 HA ASP 35 HA ASP 35 -2.539 -8.354 0.932
251 HB2 ASP 35 HB2 ASP 35 -1.062 -6.692 1.873
252 HB3 ASP 35 HB1 ASP 35 -2.439 -5.783 2.459
253 H PHE 36 HN PHE 36 -3.965 -9.216 2.659
254 HA PHE 36 HA PHE 36 -6.602 -7.988 2.636
255 HB2 PHE 36 HB2 PHE 36 -6.429 -10.105 1.241
256 HB3 PHE 36 HB1 PHE 36 -5.983 -10.958 2.706
257 HD1 PHE 36 HD1 PHE 36 -8.423 -11.074 0.623
258 HD2 PHE 36 HD2 PHE 36 -7.978 -9.758 4.641
259 HE1 PHE 36 HE1 PHE 36 -10.812 -11.535 1.042
260 HE2 PHE 36 HE2 PHE 36 -10.335 -10.208 5.078
261 HZ PHE 36 HZ PHE 36 -11.774 -11.114 3.272
262 H HIS 37 HN HIS 37 -6.671 -7.165 4.573
263 HA HIS 37 HA HIS 37 -6.244 -8.977 6.851
264 HB2 HIS 37 HB2 HIS 37 -4.819 -7.467 8.036
265 HB3 HIS 37 HB1 HIS 37 -4.345 -7.262 6.344
266 HD1 HIS 37 HD1 HIS 37 -5.727 -5.403 9.185
267 HD2 HIS 37 HD2 HIS 37 -5.130 -4.846 5.127
268 HE1 HIS 37 HE1 HIS 37 -5.938 -2.910 8.772
269 HE2 HIS 37 HE2 HIS 37 -4.969 -2.728 6.514
270 H VAL 38 HN VAL 38 -8.373 -7.476 5.151
271 HA VAL 38 HA VAL 38 -10.136 -6.713 7.263
272 HB VAL 38 HB VAL 38 -10.703 -4.521 5.972
273 HG11 VAL 38 HG11 VAL 38 -9.675 -4.406 8.176
274 HG12 VAL 38 HG12 VAL 38 -8.969 -3.178 7.107
275 HG13 VAL 38 HG13 VAL 38 -8.083 -4.653 7.456
276 HG21 VAL 38 HG21 VAL 38 -9.365 -4.979 3.949
277 HG22 VAL 38 HG22 VAL 38 -7.908 -4.976 4.933
278 HG23 VAL 38 HG23 VAL 38 -8.815 -3.487 4.735
279 H ALA 39 HN ALA 39 -12.320 -6.388 6.372
280 HA ALA 39 HA ALA 39 -12.847 -8.231 4.296
281 HB1 ALA 39 HB1 ALA 39 -14.710 -6.248 5.625
282 HB2 ALA 39 HB2 ALA 39 -14.434 -7.909 6.151
283 HB3 ALA 39 HB3 ALA 39 -15.205 -7.593 4.597
284 H GLY 40 HN GLY 40 -11.664 -7.443 2.692
285 HA2 GLY 40 HA2 GLY 40 -12.692 -6.248 0.578
286 HA3 GLY 40 HA1 GLY 40 -12.118 -4.872 1.532
287 H ARG 41 HN ARG 41 -10.366 -4.312 0.300
288 HA ARG 41 HA ARG 41 -8.136 -6.163 0.451
289 HB2 ARG 41 HB2 ARG 41 -9.108 -4.907 -2.123
290 HB3 ARG 41 HB1 ARG 41 -7.483 -5.590 -1.883
291 HG2 ARG 41 HG2 ARG 41 -8.272 -7.597 -1.493
292 HG3 ARG 41 HG1 ARG 41 -10.009 -7.192 -1.440
293 HD2 ARG 41 HD2 ARG 41 -9.679 -8.259 -3.522
294 HD3 ARG 41 HD1 ARG 41 -9.500 -6.562 -3.947
295 HE ARG 41 HE ARG 41 -7.113 -6.860 -3.872
296 HH11 ARG 41 HH11 ARG 41 -8.988 -9.871 -3.973
297 HH12 ARG 41 HH12 ARG 41 -7.820 -10.754 -4.833
298 HH21 ARG 41 HH21 ARG 41 -5.516 -8.056 -5.114
299 HH22 ARG 41 HH22 ARG 41 -5.760 -9.683 -5.505
300 H LYS 42 HN LYS 42 -6.402 -5.136 1.250
301 HA LYS 42 HA LYS 42 -6.571 -2.228 1.241
302 HB2 LYS 42 HB2 LYS 42 -6.876 -3.171 3.470
303 HB3 LYS 42 HB1 LYS 42 -5.419 -4.114 3.316
304 HG2 LYS 42 HG2 LYS 42 -5.174 -2.140 4.785
305 HG3 LYS 42 HG1 LYS 42 -4.045 -2.145 3.440
306 HD2 LYS 42 HD2 LYS 42 -5.309 -0.450 2.297
307 HD3 LYS 42 HD1 LYS 42 -6.624 -0.573 3.490
308 HE2 LYS 42 HE2 LYS 42 -5.354 0.351 5.147
309 HE3 LYS 42 HE1 LYS 42 -3.831 0.122 4.297
310 HZ1 LYS 42 HZ1 LYS 42 -4.505 1.868 2.689
311 HZ2 LYS 42 HZ2 LYS 42 -4.432 2.496 4.194
312 HZ3 LYS 42 HZ3 LYS 42 -5.948 2.168 3.515
313 H CYS 43 HN CYS 43 -4.905 -1.105 0.639
314 HA CYS 43 HA CYS 43 -2.767 -2.362 -0.799
315 HB2 CYS 43 HB2 CYS 43 -3.818 -0.500 -1.794
316 HB3 CYS 43 HB1 CYS 43 -3.713 0.441 -0.320
317 H TYR 44 HN TYR 44 -0.696 -2.528 -0.098
318 HA TYR 44 HA TYR 44 0.090 -1.027 2.245
319 HB2 TYR 44 HB2 TYR 44 0.495 -3.918 1.649
320 HB3 TYR 44 HB1 TYR 44 1.641 -3.018 2.630
321 HD1 TYR 44 HD1 TYR 44 1.275 -2.748 4.898
322 HD2 TYR 44 HD2 TYR 44 -1.930 -3.898 2.393
323 HE1 TYR 44 HE1 TYR 44 -0.070 -3.206 6.875
324 HE2 TYR 44 HE2 TYR 44 -3.310 -4.360 4.332
325 HH TYR 44 HH TYR 44 -2.644 -5.056 6.784
326 H CYS 45 HN CYS 45 1.965 -0.195 2.142
327 HA CYS 45 HA CYS 45 3.198 -0.096 -0.449
328 HB2 CYS 45 HB2 CYS 45 3.598 1.586 2.013
329 HB3 CYS 45 HB1 CYS 45 4.165 1.969 0.426
330 H TYR 46 HN TYR 46 5.237 -0.766 -0.767
331 HA TYR 46 HA TYR 46 6.503 -2.052 1.518
332 HB2 TYR 46 HB2 TYR 46 6.551 -2.764 -1.383
333 HB3 TYR 46 HB1 TYR 46 7.761 -3.378 -0.269
334 HD1 TYR 46 HD1 TYR 46 7.376 -5.392 0.728
335 HD2 TYR 46 HD2 TYR 46 4.005 -3.193 -0.660
336 HE1 TYR 46 HE1 TYR 46 5.941 -7.249 1.307
337 HE2 TYR 46 HE2 TYR 46 2.558 -4.983 -0.079
338 HH TYR 46 HH TYR 46 2.712 -7.477 0.219
339 H LYS 47 HN LYS 47 8.463 -1.626 2.066
340 HA LYS 47 HA LYS 47 10.093 -0.031 0.329
341 HB2 LYS 47 HB2 LYS 47 10.624 1.610 2.171
342 HB3 LYS 47 HB1 LYS 47 9.034 1.766 1.453
343 HG2 LYS 47 HG2 LYS 47 8.036 0.683 3.397
344 HG3 LYS 47 HG1 LYS 47 9.636 0.429 4.097
345 HD2 LYS 47 HD2 LYS 47 9.993 2.814 4.265
346 HD3 LYS 47 HD1 LYS 47 8.476 3.137 3.430
347 HE2 LYS 47 HE2 LYS 47 8.240 3.461 5.841
348 HE3 LYS 47 HE1 LYS 47 7.240 2.123 5.284
349 HZ1 LYS 47 HZ1 LYS 47 8.930 0.593 6.067
350 HZ2 LYS 47 HZ2 LYS 47 8.332 1.561 7.311
351 HZ3 LYS 47 HZ3 LYS 47 9.862 1.887 6.652
352 HA PRO 48 HA PRO 48 13.110 -2.733 2.021
353 HB2 PRO 48 HB2 PRO 48 15.337 -1.425 1.215
354 HB3 PRO 48 HB1 PRO 48 14.296 -2.290 0.064
355 HG2 PRO 48 HG2 PRO 48 14.429 0.621 0.630
356 HG3 PRO 48 HG1 PRO 48 14.260 -0.222 -0.924
357 HD2 PRO 48 HD2 PRO 48 12.136 0.890 0.353
358 HD3 PRO 48 HD1 PRO 48 12.017 -0.555 -0.670
359 H CYS 49 HN CYS 49 13.426 -2.857 4.005
360 HA CYS 49 HA CYS 49 14.911 -0.785 5.446
361 HB2 CYS 49 HB2 CYS 49 13.834 -2.053 7.460
362 HB3 CYS 49 HB1 CYS 49 12.843 -0.902 6.570
363 HA PRO 50 HA PRO 50 18.118 -3.805 5.786
364 HB2 PRO 50 HB2 PRO 50 18.164 -3.594 8.746
365 HB3 PRO 50 HB1 PRO 50 19.456 -3.222 7.585
366 HG2 PRO 50 HG2 PRO 50 18.214 -1.275 8.864
367 HG3 PRO 50 HG1 PRO 50 18.685 -1.105 7.159
368 HD2 PRO 50 HD2 PRO 50 15.989 -1.673 8.308
369 HD3 PRO 50 HD1 PRO 50 16.447 -0.603 6.965