Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649232 | 6uco RC | 30673 | 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 -13.593 5.805 -4.688
2 H2 ARG 1 HT2 ARG 1 -12.266 5.783 -3.642
3 H3 ARG 1 HT3 ARG 1 -13.666 4.927 -3.245
4 HA ARG 1 HA ARG 1 -13.345 3.449 -5.094
5 HB2 ARG 1 HB2 ARG 1 -10.849 5.110 -5.514
6 HB3 ARG 1 HB1 ARG 1 -11.132 3.557 -6.288
7 HG2 ARG 1 HG2 ARG 1 -12.889 5.981 -6.611
8 HG3 ARG 1 HG1 ARG 1 -11.636 5.478 -7.747
9 HD2 ARG 1 HD2 ARG 1 -14.063 3.871 -6.957
10 HD3 ARG 1 HD1 ARG 1 -13.859 4.747 -8.472
11 HE ARG 1 HE ARG 1 -11.761 3.161 -8.594
12 HH11 ARG 1 HH11 ARG 1 -14.915 0.726 -8.099
13 HH12 ARG 1 HH12 ARG 1 -15.028 2.380 -7.593
14 HH21 ARG 1 HH21 ARG 1 -12.977 -0.064 -9.040
15 HH22 ARG 1 HH22 ARG 1 -11.612 0.994 -9.241
16 HA PRO 2 HA PRO 2 -11.138 1.369 -1.834
17 HB2 PRO 2 HB2 PRO 2 -11.549 -1.167 -2.605
18 HB3 PRO 2 HB1 PRO 2 -12.859 -0.163 -1.962
19 HG2 PRO 2 HG2 PRO 2 -12.234 -0.893 -4.789
20 HG3 PRO 2 HG1 PRO 2 -13.807 -0.737 -3.995
21 HD2 PRO 2 HD2 PRO 2 -12.642 1.191 -5.610
22 HD3 PRO 2 HD1 PRO 2 -13.917 1.502 -4.417
23 H PHE 3 HN PHE 3 -9.018 1.072 -1.609
24 HA PHE 3 HA PHE 3 -7.454 0.233 -3.959
25 HB2 PHE 3 HB2 PHE 3 -6.633 1.831 -1.524
26 HB3 PHE 3 HB1 PHE 3 -5.527 1.300 -2.778
27 HD1 PHE 3 HD1 PHE 3 -5.588 2.283 -4.995
28 HD2 PHE 3 HD2 PHE 3 -8.167 3.645 -1.901
29 HE1 PHE 3 HE1 PHE 3 -6.079 4.305 -6.300
30 HE2 PHE 3 HE2 PHE 3 -8.668 5.668 -3.204
31 HZ PHE 3 HZ PHE 3 -7.622 5.999 -5.409
32 H NLE 4 HN NLE 4 -5.825 -1.329 -3.700
33 HA NLE 4 HA NLE 4 -5.615 -2.689 -1.137
34 HB2 NLE 4 HB1 NLE 4 -6.451 -4.122 -3.667
35 HB3 NLE 4 HB2 NLE 4 -7.498 -3.791 -2.295
36 HG2 NLE 4 HG1 NLE 4 -6.048 -5.198 -0.881
37 HG3 NLE 4 HG2 NLE 4 -5.071 -5.574 -2.303
38 HD2 NLE 4 HD1 NLE 4 -7.021 -6.577 -3.389
39 HD3 NLE 4 HD2 NLE 4 -8.010 -6.190 -1.972
40 HE1 NLE 4 HE1 NLE 4 -5.597 -7.998 -2.002
41 HE2 NLE 4 HE2 NLE 4 -7.280 -8.518 -1.921
42 HE3 NLE 4 HE3 NLE 4 -6.573 -7.605 -0.588
43 H CYS 5 HN CYS 5 -3.582 -3.254 -0.766
44 HA CYS 5 HA CYS 5 -1.593 -2.973 -2.826
45 HB2 CYS 5 HB2 CYS 5 -1.029 -2.267 -0.573
46 HB3 CYS 5 HB1 CYS 5 -1.371 -3.875 0.051
47 H THR 6 HN THR 6 -1.475 -4.515 -4.313
48 HA THR 6 HA THR 6 -2.061 -7.275 -3.568
49 HB THR 6 HB THR 6 -3.198 -6.291 -5.547
50 HG1 THR 6 HG1 THR 6 -1.527 -8.557 -5.744
51 HG21 THR 6 HG21 THR 6 -1.392 -4.871 -6.373
52 HG22 THR 6 HG22 THR 6 -1.933 -5.985 -7.628
53 HG23 THR 6 HG23 THR 6 -0.432 -6.299 -6.758
54 H TRP 7 HN TRP 7 0.510 -5.694 -3.056
55 HA TRP 7 HA TRP 7 2.560 -6.853 -4.625
56 HB2 TRP 7 HB2 TRP 7 2.748 -4.773 -3.180
57 HB3 TRP 7 HB1 TRP 7 2.838 -5.845 -1.790
58 HD1 TRP 7 HD1 TRP 7 4.886 -4.528 -4.686
59 HE1 TRP 7 HE1 TRP 7 7.338 -5.273 -4.409
60 HE3 TRP 7 HE3 TRP 7 4.298 -7.794 -0.802
61 HZ2 TRP 7 HZ2 TRP 7 8.816 -7.015 -2.752
62 HZ3 TRP 7 HZ3 TRP 7 6.282 -8.956 0.068
63 HH2 TRP 7 HH2 TRP 7 8.489 -8.577 -0.887
64 H NVA 8 HN NVX 8 2.692 -9.016 -4.745
65 HA NVA 8 HA NVX 8 2.859 -11.204 -4.171
66 HB2 NVA 8 HB1 NVX 8 4.261 -9.807 -1.913
67 HB3 NVA 8 HB2 NVX 8 4.962 -10.665 -3.276
68 HG2 NVA 8 HG1 NVX 8 5.241 -11.916 -1.223
69 HG3 NVA 8 HG2 NVX 8 4.176 -12.780 -2.341
70 HD1 NVA 8 HD NVX 8 3.441 -11.192 0.086
71 HA CYS 9 HA CYX 9 -0.160 -11.965 -0.863
72 HB2 CYS 9 HB2 CYX 9 0.888 -13.322 1.283
73 HB3 CYS 9 HB1 CYX 9 0.634 -14.043 -0.314
74 H CYS 10 HN CYS 10 0.875 -9.354 -0.469
75 HA CYS 10 HA CYS 10 0.986 -8.825 2.352
76 HB2 CYS 10 HB2 CYS 10 2.146 -7.406 0.713
77 HB3 CYS 10 HB1 CYS 10 0.603 -6.948 0.011
78 H GLY 11 HN GLY 11 -1.319 -7.622 -0.104
79 HA2 GLY 11 HA2 GLY 11 -3.593 -7.442 -0.084
80 HA3 GLY 11 HA1 GLY 11 -3.594 -8.764 1.065
81 H LYS 12 HN LYS 12 -2.805 -5.283 1.030
82 HA LYS 12 HA LYS 12 -4.552 -5.022 3.384
83 HB2 LYS 12 HB2 LYS 12 -1.982 -3.591 2.748
84 HB3 LYS 12 HB1 LYS 12 -3.172 -2.890 3.839
85 HG2 LYS 12 HG2 LYS 12 -3.048 -4.941 5.216
86 HG3 LYS 12 HG1 LYS 12 -1.746 -5.516 4.168
87 HD2 LYS 12 HD2 LYS 12 -0.360 -3.664 4.782
88 HD3 LYS 12 HD1 LYS 12 -1.670 -2.922 5.699
89 HE2 LYS 12 HE2 LYS 12 -1.654 -4.782 7.267
90 HE3 LYS 12 HE1 LYS 12 -0.404 -5.590 6.324
91 HZ1 LYS 12 HZ1 LYS 12 1.109 -3.795 6.820
92 HZ2 LYS 12 HZ2 LYS 12 0.503 -4.442 8.258
93 HZ3 LYS 12 HZ3 LYS 12 -0.090 -2.968 7.680
94 H ARG 13 HN ARG 13 -6.047 -3.366 3.387
95 HA ARG 13 HA ARG 13 -6.491 -2.238 0.706
96 HB2 ARG 13 HB2 ARG 13 -8.531 -2.949 2.818
97 HB3 ARG 13 HB1 ARG 13 -8.890 -2.302 1.222
98 HG2 ARG 13 HG2 ARG 13 -7.919 -4.303 0.200
99 HG3 ARG 13 HG1 ARG 13 -7.584 -4.948 1.808
100 HD2 ARG 13 HD2 ARG 13 -9.604 -5.956 1.052
101 HD3 ARG 13 HD1 ARG 13 -10.043 -4.771 2.283
102 HE ARG 13 HE ARG 13 -10.149 -3.940 -0.516
103 HH11 ARG 13 HH11 ARG 13 -11.867 -4.875 2.385
104 HH12 ARG 13 HH12 ARG 13 -13.393 -4.275 1.827
105 HH21 ARG 13 HH21 ARG 13 -12.149 -3.169 -1.265
106 HH22 ARG 13 HH22 ARG 13 -13.560 -3.315 -0.262
107 H PHE 14 HN PHE 14 -7.086 -0.135 0.462
108 HA PHE 14 HA PHE 14 -7.160 1.563 2.858
109 HB2 PHE 14 HB2 PHE 14 -5.523 2.212 0.394
110 HB3 PHE 14 HB1 PHE 14 -5.616 3.154 1.876
111 HD1 PHE 14 HD1 PHE 14 -4.067 0.383 0.185
112 HD2 PHE 14 HD2 PHE 14 -4.608 2.269 3.955
113 HE1 PHE 14 HE1 PHE 14 -2.144 -0.866 1.079
114 HE2 PHE 14 HE2 PHE 14 -2.692 1.022 4.862
115 HZ PHE 14 HZ PHE 14 -1.457 -0.547 3.422
116 H THR 15 HN THR 15 -8.074 3.710 2.402
117 HA THR 15 HA THR 15 -10.046 3.551 0.233
118 HB THR 15 HB THR 15 -11.154 5.437 1.590
119 HG1 THR 15 HG1 THR 15 -10.054 6.044 3.284
120 HG21 THR 15 HG21 THR 15 -10.935 2.654 2.755
121 HG22 THR 15 HG22 THR 15 -12.069 3.177 1.508
122 HG23 THR 15 HG23 THR 15 -12.197 3.822 3.145
123 H ARG 16 HN ARG 16 -7.138 4.948 0.933
124 HA ARG 16 HA ARG 16 -7.660 7.165 -0.931
125 HB2 ARG 16 HB2 ARG 16 -5.821 7.265 1.472
126 HB3 ARG 16 HB1 ARG 16 -6.065 8.559 0.313
127 HG2 ARG 16 HG2 ARG 16 -8.475 8.591 1.011
128 HG3 ARG 16 HG1 ARG 16 -8.030 7.485 2.313
129 HD2 ARG 16 HD2 ARG 16 -7.005 10.281 1.850
130 HD3 ARG 16 HD1 ARG 16 -8.000 9.717 3.187
131 HE ARG 16 HE ARG 16 -5.960 8.249 3.700
132 HH11 ARG 16 HH11 ARG 16 -4.236 11.811 2.974
133 HH12 ARG 16 HH12 ARG 16 -5.836 11.493 2.387
134 HH21 ARG 16 HH21 ARG 16 -3.106 10.207 4.163
135 HH22 ARG 16 HH22 ARG 16 -3.836 8.656 4.476
136 H SER 17 HN SER 17 -6.128 7.525 -2.475
137 HA SER 17 HA SER 17 -4.368 5.369 -3.112
138 HB2 SER 17 HB2 SER 17 -3.663 6.981 -4.978
139 HB3 SER 17 HB1 SER 17 -5.362 6.502 -4.951
140 HG SER 17 HG SER 17 -4.557 8.908 -5.057
141 H ASP 18 HN ASP 18 -4.024 8.552 -1.717
142 HA ASP 18 HA ASP 18 -1.216 8.727 -1.693
143 HB2 ASP 18 HB2 ASP 18 -3.200 9.852 0.302
144 HB3 ASP 18 HB1 ASP 18 -1.517 10.338 0.161
145 H GLU 19 HN GLU 19 -3.477 7.015 0.310
146 HA GLU 19 HA GLU 19 -1.608 6.479 2.422
147 HB2 GLU 19 HB2 GLU 19 -4.187 6.603 2.583
148 HB3 GLU 19 HB1 GLU 19 -4.164 4.968 1.940
149 HG2 GLU 19 HG2 GLU 19 -4.329 4.907 4.337
150 HG3 GLU 19 HG1 GLU 19 -2.771 4.259 3.825
151 H LEU 20 HN LEU 20 -3.026 4.688 -0.293
152 HA LEU 20 HA LEU 20 -1.666 2.268 0.132
153 HB2 LEU 20 HB2 LEU 20 -3.487 2.314 -1.412
154 HB3 LEU 20 HB1 LEU 20 -2.707 3.542 -2.393
155 HG LEU 20 HG LEU 20 -0.950 1.904 -3.006
156 HD11 LEU 20 HD11 LEU 20 -1.064 0.468 -1.055
157 HD12 LEU 20 HD12 LEU 20 -1.297 -0.465 -2.534
158 HD13 LEU 20 HD13 LEU 20 -2.682 -0.061 -1.520
159 HD21 LEU 20 HD21 LEU 20 -3.750 0.960 -3.591
160 HD22 LEU 20 HD22 LEU 20 -2.303 0.588 -4.526
161 HD23 LEU 20 HD23 LEU 20 -2.902 2.245 -4.449
162 H GLN 21 HN GLN 21 -0.751 5.148 -1.742
163 HA GLN 21 HA GLN 21 1.688 4.121 -2.701
164 HB2 GLN 21 HB2 GLN 21 0.747 6.108 -3.698
165 HB3 GLN 21 HB1 GLN 21 0.838 6.972 -2.168
166 HG2 GLN 21 HG2 GLN 21 3.261 6.901 -2.249
167 HG3 GLN 21 HG1 GLN 21 3.201 5.975 -3.745
168 HE21 GLN 21 HE21 GLN 21 1.006 7.464 -4.868
169 HE22 GLN 21 HE22 GLN 21 1.632 9.011 -5.319
170 H ARG 22 HN ARG 22 0.904 6.028 0.183
171 HA ARG 22 HA ARG 22 3.437 6.243 1.303
172 HB2 ARG 22 HB2 ARG 22 1.520 7.397 2.240
173 HB3 ARG 22 HB1 ARG 22 0.766 5.869 2.658
174 HG2 ARG 22 HG2 ARG 22 2.669 5.423 4.195
175 HG3 ARG 22 HG1 ARG 22 3.247 7.058 3.864
176 HD2 ARG 22 HD2 ARG 22 1.165 7.980 4.704
177 HD3 ARG 22 HD1 ARG 22 0.540 6.359 4.986
178 HE ARG 22 HE ARG 22 2.992 7.152 6.363
179 HH11 ARG 22 HH11 ARG 22 -0.470 6.304 8.210
180 HH12 ARG 22 HH12 ARG 22 -0.433 6.426 6.474
181 HH21 ARG 22 HH21 ARG 22 2.942 6.974 8.645
182 HH22 ARG 22 HH22 ARG 22 1.442 6.608 9.435
183 H HIS 23 HN HIS 23 1.022 3.682 1.735
184 HA HIS 23 HA HIS 23 2.560 2.032 3.397
185 HB2 HIS 23 HB2 HIS 23 0.243 1.561 3.294
186 HB3 HIS 23 HB1 HIS 23 0.252 1.488 1.536
187 HD1 HIS 23 HD1 HIS 23 1.040 -0.603 4.583
188 HD2 HIS 23 HD2 HIS 23 1.073 -0.893 0.423
189 HE1 HIS 23 HE1 HIS 23 1.561 -3.033 4.018
190 H LYS 24 HN LYS 24 2.215 2.118 -0.118
191 HA LYS 24 HA LYS 24 3.658 -0.156 -0.783
192 HB2 LYS 24 HB2 LYS 24 2.317 1.136 -2.374
193 HB3 LYS 24 HB1 LYS 24 3.468 2.460 -2.281
194 HG2 LYS 24 HG2 LYS 24 5.178 1.071 -3.294
195 HG3 LYS 24 HG1 LYS 24 4.061 -0.295 -3.335
196 HD2 LYS 24 HD2 LYS 24 4.177 0.783 -5.516
197 HD3 LYS 24 HD1 LYS 24 2.570 0.969 -4.812
198 HE2 LYS 24 HE2 LYS 24 3.164 3.240 -4.082
199 HE3 LYS 24 HE1 LYS 24 4.759 3.053 -4.810
200 HZ1 LYS 24 HZ1 LYS 24 2.175 2.971 -6.269
201 HZ2 LYS 24 HZ2 LYS 24 3.706 2.812 -6.967
202 HZ3 LYS 24 HZ3 LYS 24 3.252 4.274 -6.250
203 H ARG 25 HN ARG 25 4.786 2.942 0.303
204 HA ARG 25 HA ARG 25 7.443 2.849 -0.595
205 HB2 ARG 25 HB2 ARG 25 6.358 4.072 1.941
206 HB3 ARG 25 HB1 ARG 25 7.935 4.411 1.246
207 HG2 ARG 25 HG2 ARG 25 6.917 5.408 -0.695
208 HG3 ARG 25 HG1 ARG 25 5.309 4.966 -0.120
209 HD2 ARG 25 HD2 ARG 25 5.712 7.290 0.359
210 HD3 ARG 25 HD1 ARG 25 5.672 6.387 1.870
211 HE ARG 25 HE ARG 25 8.238 7.063 0.585
212 HH11 ARG 25 HH11 ARG 25 6.063 7.277 3.332
213 HH12 ARG 25 HH12 ARG 25 7.248 8.004 4.368
214 HH21 ARG 25 HH21 ARG 25 9.365 8.405 3.595
215 HH22 ARG 25 HH22 ARG 25 9.797 7.991 1.958
216 H THR 26 HN THR 26 5.853 0.965 1.796
217 HA THR 26 HA THR 26 8.154 0.349 3.369
218 HB THR 26 HB THR 26 6.826 -1.495 4.305
219 HG1 THR 26 HG1 THR 26 4.697 -0.709 2.587
220 HG21 THR 26 HG21 THR 26 6.500 0.756 5.207
221 HG22 THR 26 HG22 THR 26 4.999 -0.168 5.256
222 HG23 THR 26 HG23 THR 26 5.238 1.059 4.012
223 H HIS 27 HN HIS 27 6.729 -0.960 0.450
224 HA HIS 27 HA HIS 27 8.500 -3.277 0.502
225 HB2 HIS 27 HB2 HIS 27 6.541 -2.476 -1.657
226 HB3 HIS 27 HB1 HIS 27 7.346 -4.028 -1.493
227 HD1 HIS 27 HD1 HIS 27 6.619 -5.251 1.022
228 HD2 HIS 27 HD2 HIS 27 4.041 -2.549 -0.838
229 HE1 HIS 27 HE1 HIS 27 4.287 -5.706 1.951
230 H THR 28 HN THR 28 7.888 -0.394 -1.461
231 HA THR 28 HA THR 28 10.555 -0.444 -2.539
232 HB THR 28 HB THR 28 9.407 -2.146 -3.925
233 HG1 THR 28 HG1 THR 28 9.821 -1.028 -6.004
234 HG21 THR 28 HG21 THR 28 7.127 -1.300 -3.812
235 HG22 THR 28 HG22 THR 28 7.637 -1.455 -5.492
236 HG23 THR 28 HG23 THR 28 7.594 0.134 -4.728
237 H GLY 29 HN GLY 29 9.988 1.157 -4.815
238 HA2 GLY 29 HA2 GLY 29 9.007 3.246 -5.406
239 HA3 GLY 29 HA1 GLY 29 8.585 3.492 -3.717
240 H GLU 30 HN GLU 30 10.555 3.591 -2.229
241 HA GLU 30 HA GLU 30 12.736 5.049 -3.557
242 HB2 GLU 30 HB2 GLU 30 12.792 6.546 -1.535
243 HB3 GLU 30 HB1 GLU 30 11.363 6.731 -2.546
244 HG2 GLU 30 HG2 GLU 30 10.194 5.165 -0.940
245 HG3 GLU 30 HG1 GLU 30 11.593 5.364 0.116
246 H LYS 31 HN LYS 31 12.817 2.351 -2.966
247 HA LYS 31 HA LYS 31 14.871 2.302 -0.868
248 HB2 LYS 31 HB2 LYS 31 12.607 0.366 -1.299
249 HB3 LYS 31 HB1 LYS 31 14.090 -0.136 -0.501
250 HG2 LYS 31 HG2 LYS 31 13.750 1.574 1.208
251 HG3 LYS 31 HG1 LYS 31 12.266 2.084 0.402
252 HD2 LYS 31 HD2 LYS 31 11.207 0.002 0.853
253 HD3 LYS 31 HD1 LYS 31 12.722 -0.724 1.394
254 HE2 LYS 31 HE2 LYS 31 11.257 -0.140 3.278
255 HE3 LYS 31 HE1 LYS 31 12.774 0.757 3.318
256 HZ1 LYS 31 HZ1 LYS 31 10.222 1.835 2.247
257 HZ2 LYS 31 HZ2 LYS 31 11.668 2.684 2.474
258 HZ3 LYS 31 HZ3 LYS 31 10.804 2.123 3.808
259 HN1 NH2 32 HN1 NH2 32 16.407 2.519 -2.480
260 HN2 NH2 32 HN2 NH2 32 16.801 1.232 -3.572
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 -13.058 5.606 -2.904
2 H2 ARG 1 HT2 ARG 1 -14.271 4.447 -2.698
3 H3 ARG 1 HT3 ARG 1 -14.329 5.506 -4.016
4 HA ARG 1 HA ARG 1 -13.604 3.328 -4.708
5 HB2 ARG 1 HB2 ARG 1 -12.739 5.323 -5.879
6 HB3 ARG 1 HB1 ARG 1 -11.396 5.400 -4.749
7 HG2 ARG 1 HG2 ARG 1 -10.597 3.232 -5.542
8 HG3 ARG 1 HG1 ARG 1 -11.943 3.156 -6.679
9 HD2 ARG 1 HD2 ARG 1 -11.130 5.137 -7.818
10 HD3 ARG 1 HD1 ARG 1 -9.828 5.306 -6.642
11 HE ARG 1 HE ARG 1 -9.781 2.765 -7.941
12 HH11 ARG 1 HH11 ARG 1 -7.606 5.806 -9.427
13 HH12 ARG 1 HH12 ARG 1 -8.895 6.131 -8.312
14 HH21 ARG 1 HH21 ARG 1 -7.142 3.637 -10.046
15 HH22 ARG 1 HH22 ARG 1 -8.070 2.326 -9.392
16 HA PRO 2 HA PRO 2 -11.028 1.297 -1.669
17 HB2 PRO 2 HB2 PRO 2 -11.178 -1.187 -2.637
18 HB3 PRO 2 HB1 PRO 2 -12.590 -0.406 -1.903
19 HG2 PRO 2 HG2 PRO 2 -11.927 -0.817 -4.786
20 HG3 PRO 2 HG1 PRO 2 -13.491 -0.931 -3.971
21 HD2 PRO 2 HD2 PRO 2 -12.586 1.270 -5.416
22 HD3 PRO 2 HD1 PRO 2 -13.902 1.296 -4.222
23 H PHE 3 HN PHE 3 -8.900 0.783 -1.509
24 HA PHE 3 HA PHE 3 -7.393 0.330 -4.000
25 HB2 PHE 3 HB2 PHE 3 -6.567 1.961 -1.588
26 HB3 PHE 3 HB1 PHE 3 -5.493 1.534 -2.910
27 HD1 PHE 3 HD1 PHE 3 -5.865 2.468 -5.163
28 HD2 PHE 3 HD2 PHE 3 -8.160 3.700 -1.800
29 HE1 PHE 3 HE1 PHE 3 -6.591 4.465 -6.396
30 HE2 PHE 3 HE2 PHE 3 -8.895 5.698 -3.027
31 HZ PHE 3 HZ PHE 3 -8.129 6.057 -5.364
32 H NLE 4 HN NLE 4 -5.913 -1.311 -3.950
33 HA NLE 4 HA NLE 4 -5.603 -2.739 -1.399
34 HB2 NLE 4 HB1 NLE 4 -6.132 -4.027 -4.083
35 HB3 NLE 4 HB2 NLE 4 -7.341 -3.807 -2.827
36 HG2 NLE 4 HG1 NLE 4 -6.034 -5.251 -1.331
37 HG3 NLE 4 HG2 NLE 4 -4.853 -5.492 -2.622
38 HD2 NLE 4 HD1 NLE 4 -6.567 -6.519 -4.025
39 HD3 NLE 4 HD2 NLE 4 -7.777 -6.244 -2.763
40 HE1 NLE 4 HE1 NLE 4 -6.511 -7.679 -1.241
41 HE2 NLE 4 HE2 NLE 4 -5.312 -7.961 -2.505
42 HE3 NLE 4 HE3 NLE 4 -6.964 -8.543 -2.710
43 H CYS 5 HN CYS 5 -3.600 -3.398 -0.957
44 HA CYS 5 HA CYS 5 -1.467 -2.752 -2.784
45 HB2 CYS 5 HB2 CYS 5 -1.140 -2.317 -0.421
46 HB3 CYS 5 HB1 CYS 5 -1.448 -4.004 -0.035
47 H THR 6 HN THR 6 -1.317 -4.082 -4.480
48 HA THR 6 HA THR 6 -1.783 -6.927 -4.225
49 HB THR 6 HB THR 6 -1.220 -6.891 -6.711
50 HG1 THR 6 HG1 THR 6 -1.725 -4.204 -6.898
51 HG21 THR 6 HG21 THR 6 -3.487 -5.159 -5.716
52 HG22 THR 6 HG22 THR 6 -3.523 -6.913 -5.904
53 HG23 THR 6 HG23 THR 6 -3.378 -5.875 -7.324
54 H TRP 7 HN TRP 7 0.558 -5.682 -2.893
55 HA TRP 7 HA TRP 7 2.824 -6.713 -4.366
56 HB2 TRP 7 HB2 TRP 7 2.760 -4.602 -2.851
57 HB3 TRP 7 HB1 TRP 7 2.916 -5.746 -1.523
58 HD1 TRP 7 HD1 TRP 7 4.879 -4.099 -4.287
59 HE1 TRP 7 HE1 TRP 7 7.365 -4.733 -4.074
60 HE3 TRP 7 HE3 TRP 7 4.475 -7.718 -0.709
61 HZ2 TRP 7 HZ2 TRP 7 8.942 -6.535 -2.572
62 HZ3 TRP 7 HZ3 TRP 7 6.521 -8.847 0.061
63 HH2 TRP 7 HH2 TRP 7 8.705 -8.267 -0.850
64 H NVA 8 HN NVX 8 2.844 -8.888 -4.438
65 HA NVA 8 HA NVX 8 2.944 -11.055 -3.799
66 HB2 NVA 8 HB1 NVX 8 4.007 -9.676 -1.347
67 HB3 NVA 8 HB2 NVX 8 4.915 -10.464 -2.629
68 HG2 NVA 8 HG1 NVX 8 4.920 -11.795 -0.607
69 HG3 NVA 8 HG2 NVX 8 4.050 -12.628 -1.901
70 HD1 NVA 8 HD NVX 8 2.956 -11.202 0.482
71 HA CYS 9 HA CYX 9 -0.472 -11.887 -0.992
72 HB2 CYS 9 HB2 CYX 9 0.388 -13.143 1.354
73 HB3 CYS 9 HB1 CYX 9 0.130 -13.933 -0.207
74 H CYS 10 HN CYS 10 1.043 -9.344 -0.226
75 HA CYS 10 HA CYS 10 0.481 -8.784 2.482
76 HB2 CYS 10 HB2 CYS 10 2.033 -7.449 1.124
77 HB3 CYS 10 HB1 CYS 10 0.703 -6.918 0.113
78 H GLY 11 HN GLY 11 -1.229 -7.423 -0.358
79 HA2 GLY 11 HA2 GLY 11 -3.453 -7.018 -0.722
80 HA3 GLY 11 HA1 GLY 11 -3.761 -8.387 0.330
81 H LYS 12 HN LYS 12 -2.158 -5.394 1.272
82 HA LYS 12 HA LYS 12 -4.128 -4.933 3.324
83 HB2 LYS 12 HB2 LYS 12 -1.630 -4.440 3.529
84 HB3 LYS 12 HB1 LYS 12 -1.923 -3.049 2.494
85 HG2 LYS 12 HG2 LYS 12 -1.943 -2.236 4.694
86 HG3 LYS 12 HG1 LYS 12 -3.635 -2.304 4.189
87 HD2 LYS 12 HD2 LYS 12 -3.867 -4.461 5.365
88 HD3 LYS 12 HD1 LYS 12 -2.191 -4.330 5.901
89 HE2 LYS 12 HE2 LYS 12 -3.557 -3.590 7.700
90 HE3 LYS 12 HE1 LYS 12 -2.818 -2.156 6.992
91 HZ1 LYS 12 HZ1 LYS 12 -5.591 -3.114 6.532
92 HZ2 LYS 12 HZ2 LYS 12 -4.890 -1.782 5.761
93 HZ3 LYS 12 HZ3 LYS 12 -5.134 -1.757 7.433
94 H ARG 13 HN ARG 13 -5.784 -3.485 3.279
95 HA ARG 13 HA ARG 13 -6.263 -2.220 0.671
96 HB2 ARG 13 HB2 ARG 13 -8.233 -2.978 2.829
97 HB3 ARG 13 HB1 ARG 13 -8.645 -2.271 1.275
98 HG2 ARG 13 HG2 ARG 13 -7.890 -4.221 0.119
99 HG3 ARG 13 HG1 ARG 13 -7.261 -4.914 1.615
100 HD2 ARG 13 HD2 ARG 13 -10.149 -4.365 0.945
101 HD3 ARG 13 HD1 ARG 13 -9.378 -5.943 1.088
102 HE ARG 13 HE ARG 13 -9.350 -4.217 3.441
103 HH11 ARG 13 HH11 ARG 13 -10.750 -6.953 1.771
104 HH12 ARG 13 HH12 ARG 13 -11.462 -7.627 3.204
105 HH21 ARG 13 HH21 ARG 13 -10.274 -5.103 5.337
106 HH22 ARG 13 HH22 ARG 13 -11.196 -6.570 5.234
107 H PHE 14 HN PHE 14 -7.050 -0.140 0.527
108 HA PHE 14 HA PHE 14 -7.113 1.516 2.939
109 HB2 PHE 14 HB2 PHE 14 -5.530 2.278 0.474
110 HB3 PHE 14 HB1 PHE 14 -5.643 3.182 1.980
111 HD1 PHE 14 HD1 PHE 14 -4.011 0.491 0.223
112 HD2 PHE 14 HD2 PHE 14 -4.576 2.318 4.017
113 HE1 PHE 14 HE1 PHE 14 -2.011 -0.662 1.068
114 HE2 PHE 14 HE2 PHE 14 -2.582 1.164 4.875
115 HZ PHE 14 HZ PHE 14 -1.349 -0.406 3.408
116 H THR 15 HN THR 15 -8.154 3.598 2.539
117 HA THR 15 HA THR 15 -10.124 3.413 0.376
118 HB THR 15 HB THR 15 -11.278 5.250 1.680
119 HG1 THR 15 HG1 THR 15 -10.330 6.018 3.405
120 HG21 THR 15 HG21 THR 15 -12.011 2.927 1.868
121 HG22 THR 15 HG22 THR 15 -12.125 3.732 3.434
122 HG23 THR 15 HG23 THR 15 -10.790 2.627 3.104
123 H ARG 16 HN ARG 16 -7.247 4.915 1.142
124 HA ARG 16 HA ARG 16 -7.764 7.092 -0.767
125 HB2 ARG 16 HB2 ARG 16 -6.163 7.186 1.799
126 HB3 ARG 16 HB1 ARG 16 -6.082 8.437 0.567
127 HG2 ARG 16 HG2 ARG 16 -8.462 8.878 0.844
128 HG3 ARG 16 HG1 ARG 16 -8.556 7.607 2.062
129 HD2 ARG 16 HD2 ARG 16 -7.057 8.838 3.510
130 HD3 ARG 16 HD1 ARG 16 -6.831 10.073 2.274
131 HE ARG 16 HE ARG 16 -9.507 10.084 2.653
132 HH11 ARG 16 HH11 ARG 16 -7.666 11.291 6.013
133 HH12 ARG 16 HH12 ARG 16 -6.815 10.287 4.883
134 HH21 ARG 16 HH21 ARG 16 -9.839 11.911 5.600
135 HH22 ARG 16 HH22 ARG 16 -10.634 11.382 4.152
136 H SER 17 HN SER 17 -6.270 7.407 -2.332
137 HA SER 17 HA SER 17 -4.566 5.214 -2.948
138 HB2 SER 17 HB2 SER 17 -3.891 6.782 -4.879
139 HB3 SER 17 HB1 SER 17 -5.575 6.262 -4.800
140 HG SER 17 HG SER 17 -6.085 8.283 -4.690
141 H ASP 18 HN ASP 18 -4.073 8.443 -1.685
142 HA ASP 18 HA ASP 18 -1.264 8.516 -1.793
143 HB2 ASP 18 HB2 ASP 18 -3.172 9.783 0.183
144 HB3 ASP 18 HB1 ASP 18 -1.447 10.110 0.146
145 H GLU 19 HN GLU 19 -3.497 7.006 0.419
146 HA GLU 19 HA GLU 19 -1.579 6.409 2.438
147 HB2 GLU 19 HB2 GLU 19 -4.108 6.548 2.733
148 HB3 GLU 19 HB1 GLU 19 -4.189 4.976 1.955
149 HG2 GLU 19 HG2 GLU 19 -4.266 4.600 4.279
150 HG3 GLU 19 HG1 GLU 19 -2.662 4.113 3.733
151 H LEU 20 HN LEU 20 -3.018 4.644 -0.271
152 HA LEU 20 HA LEU 20 -1.693 2.204 0.141
153 HB2 LEU 20 HB2 LEU 20 -3.520 2.277 -1.389
154 HB3 LEU 20 HB1 LEU 20 -2.734 3.499 -2.371
155 HG LEU 20 HG LEU 20 -1.027 1.862 -3.053
156 HD11 LEU 20 HD11 LEU 20 -2.664 -0.127 -1.489
157 HD12 LEU 20 HD12 LEU 20 -1.061 0.466 -1.043
158 HD13 LEU 20 HD13 LEU 20 -1.272 -0.489 -2.511
159 HD21 LEU 20 HD21 LEU 20 -3.137 2.156 -4.342
160 HD22 LEU 20 HD22 LEU 20 -3.796 0.764 -3.482
161 HD23 LEU 20 HD23 LEU 20 -2.393 0.570 -4.528
162 H GLN 21 HN GLN 21 -0.762 5.009 -1.855
163 HA GLN 21 HA GLN 21 1.663 3.924 -2.778
164 HB2 GLN 21 HB2 GLN 21 0.663 5.892 -3.809
165 HB3 GLN 21 HB1 GLN 21 0.893 6.814 -2.330
166 HG2 GLN 21 HG2 GLN 21 3.315 6.600 -2.579
167 HG3 GLN 21 HG1 GLN 21 3.077 5.687 -4.068
168 HE21 GLN 21 HE21 GLN 21 2.858 8.802 -2.549
169 HE22 GLN 21 HE22 GLN 21 2.719 9.725 -4.007
170 H ARG 22 HN ARG 22 0.906 5.903 0.048
171 HA ARG 22 HA ARG 22 3.456 6.224 1.108
172 HB2 ARG 22 HB2 ARG 22 1.496 7.373 1.993
173 HB3 ARG 22 HB1 ARG 22 0.807 5.851 2.515
174 HG2 ARG 22 HG2 ARG 22 2.647 5.582 4.117
175 HG3 ARG 22 HG1 ARG 22 3.284 7.154 3.617
176 HD2 ARG 22 HD2 ARG 22 1.276 8.258 4.350
177 HD3 ARG 22 HD1 ARG 22 0.504 6.715 4.700
178 HE ARG 22 HE ARG 22 2.945 7.384 6.158
179 HH11 ARG 22 HH11 ARG 22 -0.684 7.063 7.863
180 HH12 ARG 22 HH12 ARG 22 -0.542 6.980 6.132
181 HH21 ARG 22 HH21 ARG 22 2.749 7.468 8.438
182 HH22 ARG 22 HH22 ARG 22 1.182 7.342 9.168
183 H HIS 23 HN HIS 23 1.076 3.680 1.788
184 HA HIS 23 HA HIS 23 2.697 2.120 3.448
185 HB2 HIS 23 HB2 HIS 23 0.402 1.648 3.543
186 HB3 HIS 23 HB1 HIS 23 0.248 1.564 1.792
187 HD1 HIS 23 HD1 HIS 23 0.973 -0.568 4.786
188 HD2 HIS 23 HD2 HIS 23 1.129 -0.830 0.625
189 HE1 HIS 23 HE1 HIS 23 1.347 -3.029 4.214
190 H LYS 24 HN LYS 24 2.159 1.961 -0.059
191 HA LYS 24 HA LYS 24 3.508 -0.418 -0.564
192 HB2 LYS 24 HB2 LYS 24 2.082 0.868 -2.182
193 HB3 LYS 24 HB1 LYS 24 3.434 1.968 -2.410
194 HG2 LYS 24 HG2 LYS 24 3.515 0.461 -4.209
195 HG3 LYS 24 HG1 LYS 24 4.790 -0.049 -3.101
196 HD2 LYS 24 HD2 LYS 24 3.667 -2.018 -3.809
197 HD3 LYS 24 HD1 LYS 24 3.149 -1.705 -2.152
198 HE2 LYS 24 HE2 LYS 24 1.242 -2.337 -3.504
199 HE3 LYS 24 HE1 LYS 24 1.095 -0.649 -3.017
200 HZ1 LYS 24 HZ1 LYS 24 2.106 -1.566 -5.653
201 HZ2 LYS 24 HZ2 LYS 24 1.832 0.037 -5.183
202 HZ3 LYS 24 HZ3 LYS 24 0.531 -1.026 -5.361
203 H ARG 25 HN ARG 25 4.742 2.792 -0.000
204 HA ARG 25 HA ARG 25 7.318 2.326 -1.099
205 HB2 ARG 25 HB2 ARG 25 6.290 4.434 0.790
206 HB3 ARG 25 HB1 ARG 25 7.948 4.399 0.204
207 HG2 ARG 25 HG2 ARG 25 7.146 4.561 -2.095
208 HG3 ARG 25 HG1 ARG 25 5.483 4.592 -1.512
209 HD2 ARG 25 HD2 ARG 25 7.541 6.614 -0.665
210 HD3 ARG 25 HD1 ARG 25 6.537 6.828 -2.097
211 HE ARG 25 HE ARG 25 4.697 6.386 -0.212
212 HH11 ARG 25 HH11 ARG 25 7.488 8.512 -0.270
213 HH12 ARG 25 HH12 ARG 25 6.747 9.709 0.755
214 HH21 ARG 25 HH21 ARG 25 4.615 9.417 1.528
215 HH22 ARG 25 HH22 ARG 25 3.708 8.012 1.081
216 H THR 26 HN THR 26 5.923 1.040 1.649
217 HA THR 26 HA THR 26 8.365 0.828 3.171
218 HB THR 26 HB THR 26 7.171 -0.770 4.589
219 HG1 THR 26 HG1 THR 26 4.915 -0.420 2.878
220 HG21 THR 26 HG21 THR 26 5.467 1.625 3.901
221 HG22 THR 26 HG22 THR 26 6.843 1.621 5.004
222 HG23 THR 26 HG23 THR 26 5.391 0.700 5.400
223 H HIS 27 HN HIS 27 6.619 -1.068 0.781
224 HA HIS 27 HA HIS 27 8.358 -3.353 0.999
225 HB2 HIS 27 HB2 HIS 27 6.517 -2.585 -1.278
226 HB3 HIS 27 HB1 HIS 27 7.291 -4.144 -1.061
227 HD1 HIS 27 HD1 HIS 27 6.452 -5.363 1.386
228 HD2 HIS 27 HD2 HIS 27 4.017 -2.555 -0.499
229 HE1 HIS 27 HE1 HIS 27 4.071 -5.780 2.223
230 H THR 28 HN THR 28 7.878 -0.746 -1.335
231 HA THR 28 HA THR 28 10.683 -0.703 -2.003
232 HB THR 28 HB THR 28 8.638 -1.376 -4.136
233 HG1 THR 28 HG1 THR 28 10.238 -2.935 -2.527
234 HG21 THR 28 HG21 THR 28 10.553 -1.544 -5.641
235 HG22 THR 28 HG22 THR 28 11.641 -1.092 -4.331
236 HG23 THR 28 HG23 THR 28 10.464 0.071 -4.939
237 H GLY 29 HN GLY 29 11.243 1.362 -2.452
238 HA2 GLY 29 HA2 GLY 29 10.248 3.214 -4.052
239 HA3 GLY 29 HA1 GLY 29 9.111 3.331 -2.721
240 H GLU 30 HN GLU 30 10.186 3.589 -0.510
241 HA GLU 30 HA GLU 30 12.573 5.270 -0.733
242 HB2 GLU 30 HB2 GLU 30 9.952 6.093 0.516
243 HB3 GLU 30 HB1 GLU 30 11.470 6.920 0.838
244 HG2 GLU 30 HG2 GLU 30 11.681 7.533 -1.484
245 HG3 GLU 30 HG1 GLU 30 10.234 6.610 -1.890
246 H LYS 31 HN LYS 31 10.291 4.726 1.929
247 HA LYS 31 HA LYS 31 10.561 3.993 4.048
248 HB2 LYS 31 HB2 LYS 31 11.132 1.842 3.003
249 HB3 LYS 31 HB1 LYS 31 12.811 2.344 2.869
250 HG2 LYS 31 HG2 LYS 31 12.981 2.443 5.305
251 HG3 LYS 31 HG1 LYS 31 11.296 1.943 5.440
252 HD2 LYS 31 HD2 LYS 31 13.443 0.315 4.086
253 HD3 LYS 31 HD1 LYS 31 12.947 0.098 5.766
254 HE2 LYS 31 HE2 LYS 31 10.667 -0.395 5.029
255 HE3 LYS 31 HE1 LYS 31 11.156 -0.170 3.352
256 HZ1 LYS 31 HZ1 LYS 31 12.257 -2.234 5.176
257 HZ2 LYS 31 HZ2 LYS 31 12.631 -2.042 3.539
258 HZ3 LYS 31 HZ3 LYS 31 11.075 -2.510 4.001
259 HN1 NH2 32 HN1 NH2 32 11.129 6.034 4.746
260 HN2 NH2 32 HN2 NH2 32 12.754 6.460 5.160
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 -14.288 5.062 -2.652
2 H2 ARG 1 HT2 ARG 1 -12.891 5.092 -1.701
3 H3 ARG 1 HT3 ARG 1 -14.083 3.934 -1.414
4 HA ARG 1 HA ARG 1 -13.679 2.915 -3.537
5 HB2 ARG 1 HB2 ARG 1 -12.913 5.053 -4.619
6 HB3 ARG 1 HB1 ARG 1 -11.389 4.880 -3.763
7 HG2 ARG 1 HG2 ARG 1 -11.062 4.085 -5.971
8 HG3 ARG 1 HG1 ARG 1 -11.088 2.677 -4.906
9 HD2 ARG 1 HD2 ARG 1 -12.379 2.280 -6.950
10 HD3 ARG 1 HD1 ARG 1 -13.412 2.245 -5.521
11 HE ARG 1 HE ARG 1 -13.300 4.828 -6.762
12 HH11 ARG 1 HH11 ARG 1 -16.291 2.299 -7.637
13 HH12 ARG 1 HH12 ARG 1 -14.854 1.694 -6.877
14 HH21 ARG 1 HH21 ARG 1 -16.477 4.526 -8.150
15 HH22 ARG 1 HH22 ARG 1 -15.187 5.622 -7.765
16 HA PRO 2 HA PRO 2 -10.823 0.812 -0.800
17 HB2 PRO 2 HB2 PRO 2 -11.297 -1.689 -1.650
18 HB3 PRO 2 HB1 PRO 2 -12.458 -0.806 -0.646
19 HG2 PRO 2 HG2 PRO 2 -12.504 -1.356 -3.572
20 HG3 PRO 2 HG1 PRO 2 -13.847 -1.263 -2.428
21 HD2 PRO 2 HD2 PRO 2 -13.049 0.757 -4.185
22 HD3 PRO 2 HD1 PRO 2 -14.106 0.969 -2.773
23 H PHE 3 HN PHE 3 -8.762 1.144 -1.287
24 HA PHE 3 HA PHE 3 -7.653 0.211 -3.833
25 HB2 PHE 3 HB2 PHE 3 -6.474 1.922 -1.630
26 HB3 PHE 3 HB1 PHE 3 -5.618 1.457 -3.093
27 HD1 PHE 3 HD1 PHE 3 -6.318 2.318 -5.272
28 HD2 PHE 3 HD2 PHE 3 -8.123 3.650 -1.657
29 HE1 PHE 3 HE1 PHE 3 -7.261 4.253 -6.458
30 HE2 PHE 3 HE2 PHE 3 -9.068 5.586 -2.836
31 HZ PHE 3 HZ PHE 3 -8.641 5.888 -5.242
32 H NLE 4 HN NLE 4 -5.917 -1.296 -3.885
33 HA NLE 4 HA NLE 4 -5.542 -2.748 -1.357
34 HB2 NLE 4 HB1 NLE 4 -6.167 -3.978 -4.045
35 HB3 NLE 4 HB2 NLE 4 -7.240 -3.925 -2.653
36 HG2 NLE 4 HG1 NLE 4 -5.709 -5.354 -1.402
37 HG3 NLE 4 HG2 NLE 4 -4.611 -5.391 -2.784
38 HD2 NLE 4 HD1 NLE 4 -6.366 -6.451 -4.141
39 HD3 NLE 4 HD2 NLE 4 -7.440 -6.444 -2.733
40 HE1 NLE 4 HE1 NLE 4 -5.886 -7.863 -1.518
41 HE2 NLE 4 HE2 NLE 4 -4.769 -7.838 -2.885
42 HE3 NLE 4 HE3 NLE 4 -6.341 -8.620 -3.047
43 H CYS 5 HN CYS 5 -3.535 -3.236 -0.894
44 HA CYS 5 HA CYS 5 -1.420 -2.823 -2.807
45 HB2 CYS 5 HB2 CYS 5 -1.061 -2.211 -0.463
46 HB3 CYS 5 HB1 CYS 5 -1.339 -3.877 0.026
47 H THR 6 HN THR 6 -1.490 -4.306 -4.390
48 HA THR 6 HA THR 6 -2.056 -7.084 -3.827
49 HB THR 6 HB THR 6 -1.691 -7.300 -6.347
50 HG1 THR 6 HG1 THR 6 -1.495 -5.424 -7.506
51 HG21 THR 6 HG21 THR 6 -3.803 -5.396 -5.323
52 HG22 THR 6 HG22 THR 6 -3.929 -7.154 -5.405
53 HG23 THR 6 HG23 THR 6 -3.842 -6.205 -6.888
54 H TRP 7 HN TRP 7 0.554 -5.491 -3.159
55 HA TRP 7 HA TRP 7 2.689 -6.725 -4.495
56 HB2 TRP 7 HB2 TRP 7 2.825 -4.690 -3.019
57 HB3 TRP 7 HB1 TRP 7 2.645 -5.752 -1.631
58 HD1 TRP 7 HD1 TRP 7 5.168 -4.598 -4.203
59 HE1 TRP 7 HE1 TRP 7 7.510 -5.437 -3.539
60 HE3 TRP 7 HE3 TRP 7 3.843 -7.738 -0.404
61 HZ2 TRP 7 HZ2 TRP 7 8.635 -7.208 -1.640
62 HZ3 TRP 7 HZ3 TRP 7 5.607 -8.965 0.786
63 HH2 TRP 7 HH2 TRP 7 7.950 -8.704 0.180
64 H NVA 8 HN NVX 8 2.797 -8.894 -4.646
65 HA NVA 8 HA NVX 8 2.814 -11.093 -4.099
66 HB2 NVA 8 HB1 NVX 8 4.131 -9.742 -1.768
67 HB3 NVA 8 HB2 NVX 8 4.866 -10.668 -3.067
68 HG2 NVA 8 HG1 NVX 8 4.963 -11.877 -0.969
69 HG3 NVA 8 HG2 NVX 8 3.927 -12.718 -2.134
70 HD1 NVA 8 HD NVX 8 3.097 -10.991 0.168
71 HA CYS 9 HA CYX 9 -0.445 -11.813 -1.033
72 HB2 CYS 9 HB2 CYX 9 0.343 -13.185 1.174
73 HB3 CYS 9 HB1 CYX 9 0.356 -13.891 -0.450
74 H CYS 10 HN CYS 10 0.925 -9.241 -0.425
75 HA CYS 10 HA CYS 10 0.688 -8.702 2.347
76 HB2 CYS 10 HB2 CYS 10 1.983 -7.314 0.741
77 HB3 CYS 10 HB1 CYS 10 0.475 -6.781 0.019
78 H GLY 11 HN GLY 11 -1.421 -7.541 -0.310
79 HA2 GLY 11 HA2 GLY 11 -3.696 -7.351 -0.447
80 HA3 GLY 11 HA1 GLY 11 -3.775 -8.660 0.717
81 H LYS 12 HN LYS 12 -2.520 -5.362 1.038
82 HA LYS 12 HA LYS 12 -4.323 -4.995 3.318
83 HB2 LYS 12 HB2 LYS 12 -1.805 -4.660 3.553
84 HB3 LYS 12 HB1 LYS 12 -2.001 -3.222 2.561
85 HG2 LYS 12 HG2 LYS 12 -3.350 -2.169 4.193
86 HG3 LYS 12 HG1 LYS 12 -3.509 -3.668 5.121
87 HD2 LYS 12 HD2 LYS 12 -1.060 -3.617 5.513
88 HD3 LYS 12 HD1 LYS 12 -0.995 -2.055 4.699
89 HE2 LYS 12 HE2 LYS 12 -1.047 -1.736 7.094
90 HE3 LYS 12 HE1 LYS 12 -2.542 -1.141 6.377
91 HZ1 LYS 12 HZ1 LYS 12 -3.673 -3.109 7.089
92 HZ2 LYS 12 HZ2 LYS 12 -2.879 -2.441 8.422
93 HZ3 LYS 12 HZ3 LYS 12 -2.239 -3.802 7.653
94 H ARG 13 HN ARG 13 -5.936 -3.550 3.253
95 HA ARG 13 HA ARG 13 -6.312 -2.168 0.689
96 HB2 ARG 13 HB2 ARG 13 -8.299 -3.251 2.683
97 HB3 ARG 13 HB1 ARG 13 -8.760 -2.225 1.331
98 HG2 ARG 13 HG2 ARG 13 -8.050 -3.850 -0.252
99 HG3 ARG 13 HG1 ARG 13 -7.281 -4.820 1.004
100 HD2 ARG 13 HD2 ARG 13 -9.431 -5.324 1.980
101 HD3 ARG 13 HD1 ARG 13 -10.237 -4.255 0.836
102 HE ARG 13 HE ARG 13 -9.753 -5.820 -0.904
103 HH11 ARG 13 HH11 ARG 13 -8.957 -6.978 2.309
104 HH12 ARG 13 HH12 ARG 13 -9.065 -8.652 1.871
105 HH21 ARG 13 HH21 ARG 13 -9.899 -8.033 -1.478
106 HH22 ARG 13 HH22 ARG 13 -9.601 -9.254 -0.280
107 H PHE 14 HN PHE 14 -7.077 -0.099 0.595
108 HA PHE 14 HA PHE 14 -7.139 1.487 3.071
109 HB2 PHE 14 HB2 PHE 14 -5.646 2.284 0.554
110 HB3 PHE 14 HB1 PHE 14 -5.740 3.208 2.050
111 HD1 PHE 14 HD1 PHE 14 -4.162 0.456 0.312
112 HD2 PHE 14 HD2 PHE 14 -4.547 2.457 4.042
113 HE1 PHE 14 HE1 PHE 14 -2.144 -0.688 1.126
114 HE2 PHE 14 HE2 PHE 14 -2.530 1.319 4.867
115 HZ PHE 14 HZ PHE 14 -1.329 -0.255 3.405
116 H THR 15 HN THR 15 -8.040 3.718 2.593
117 HA THR 15 HA THR 15 -10.117 3.527 0.514
118 HB THR 15 HB THR 15 -10.111 5.400 2.892
119 HG1 THR 15 HG1 THR 15 -11.208 2.774 2.614
120 HG21 THR 15 HG21 THR 15 -12.332 4.406 1.095
121 HG22 THR 15 HG22 THR 15 -11.630 6.023 1.070
122 HG23 THR 15 HG23 THR 15 -12.536 5.476 2.481
123 H ARG 16 HN ARG 16 -7.180 4.894 1.160
124 HA ARG 16 HA ARG 16 -7.666 7.092 -0.738
125 HB2 ARG 16 HB2 ARG 16 -5.942 7.072 1.740
126 HB3 ARG 16 HB1 ARG 16 -5.745 8.265 0.467
127 HG2 ARG 16 HG2 ARG 16 -7.957 9.101 0.825
128 HG3 ARG 16 HG1 ARG 16 -8.303 7.805 1.973
129 HD2 ARG 16 HD2 ARG 16 -7.767 9.974 3.056
130 HD3 ARG 16 HD1 ARG 16 -6.686 8.669 3.522
131 HE ARG 16 HE ARG 16 -5.325 9.820 1.511
132 HH11 ARG 16 HH11 ARG 16 -5.801 12.510 4.466
133 HH12 ARG 16 HH12 ARG 16 -6.960 11.231 4.281
134 HH21 ARG 16 HH21 ARG 16 -4.011 12.661 3.035
135 HH22 ARG 16 HH22 ARG 16 -3.786 11.472 1.783
136 H SER 17 HN SER 17 -6.338 7.186 -2.451
137 HA SER 17 HA SER 17 -4.691 4.958 -3.053
138 HB2 SER 17 HB2 SER 17 -4.114 6.326 -5.099
139 HB3 SER 17 HB1 SER 17 -5.842 6.067 -4.846
140 HG SER 17 HG SER 17 -4.658 8.350 -5.183
141 H ASP 18 HN ASP 18 -4.069 8.254 -2.017
142 HA ASP 18 HA ASP 18 -1.254 8.188 -2.267
143 HB2 ASP 18 HB2 ASP 18 -1.235 10.174 -0.901
144 HB3 ASP 18 HB1 ASP 18 -2.609 10.275 -1.991
145 H GLU 19 HN GLU 19 -3.467 7.075 0.174
146 HA GLU 19 HA GLU 19 -1.544 6.633 2.223
147 HB2 GLU 19 HB2 GLU 19 -4.093 6.762 2.478
148 HB3 GLU 19 HB1 GLU 19 -4.124 5.111 1.882
149 HG2 GLU 19 HG2 GLU 19 -4.219 5.074 4.264
150 HG3 GLU 19 HG1 GLU 19 -2.652 4.452 3.749
151 H LEU 20 HN LEU 20 -2.992 4.663 -0.320
152 HA LEU 20 HA LEU 20 -1.651 2.259 0.210
153 HB2 LEU 20 HB2 LEU 20 -3.481 2.256 -1.313
154 HB3 LEU 20 HB1 LEU 20 -2.712 3.451 -2.342
155 HG LEU 20 HG LEU 20 -1.006 1.803 -2.990
156 HD11 LEU 20 HD11 LEU 20 -0.987 0.472 -0.951
157 HD12 LEU 20 HD12 LEU 20 -1.253 -0.536 -2.375
158 HD13 LEU 20 HD13 LEU 20 -2.607 -0.127 -1.321
159 HD21 LEU 20 HD21 LEU 20 -3.091 2.046 -4.291
160 HD22 LEU 20 HD22 LEU 20 -3.800 0.739 -3.342
161 HD23 LEU 20 HD23 LEU 20 -2.412 0.422 -4.377
162 H GLN 21 HN GLN 21 -0.739 4.983 -1.890
163 HA GLN 21 HA GLN 21 1.709 3.955 -2.787
164 HB2 GLN 21 HB2 GLN 21 0.898 6.826 -2.277
165 HB3 GLN 21 HB1 GLN 21 2.328 6.338 -3.176
166 HG2 GLN 21 HG2 GLN 21 1.008 5.360 -4.895
167 HG3 GLN 21 HG1 GLN 21 -0.466 5.553 -3.950
168 HE21 GLN 21 HE21 GLN 21 -1.468 6.727 -5.554
169 HE22 GLN 21 HE22 GLN 21 -1.034 8.364 -5.914
170 H ARG 22 HN ARG 22 0.947 6.002 -0.010
171 HA ARG 22 HA ARG 22 3.435 6.310 1.142
172 HB2 ARG 22 HB2 ARG 22 1.376 7.412 1.917
173 HB3 ARG 22 HB1 ARG 22 0.774 5.878 2.512
174 HG2 ARG 22 HG2 ARG 22 2.659 5.798 4.101
175 HG3 ARG 22 HG1 ARG 22 3.148 7.404 3.549
176 HD2 ARG 22 HD2 ARG 22 0.944 8.277 4.213
177 HD3 ARG 22 HD1 ARG 22 0.502 6.679 4.806
178 HE ARG 22 HE ARG 22 2.875 7.945 5.939
179 HH11 ARG 22 HH11 ARG 22 -0.484 7.236 8.034
180 HH12 ARG 22 HH12 ARG 22 -0.487 6.989 6.310
181 HH21 ARG 22 HH21 ARG 22 2.869 8.260 8.192
182 HH22 ARG 22 HH22 ARG 22 1.425 7.939 9.103
183 H HIS 23 HN HIS 23 1.068 3.737 1.795
184 HA HIS 23 HA HIS 23 2.667 2.209 3.510
185 HB2 HIS 23 HB2 HIS 23 0.390 1.677 3.549
186 HB3 HIS 23 HB1 HIS 23 0.271 1.617 1.795
187 HD1 HIS 23 HD1 HIS 23 1.002 -0.549 4.771
188 HD2 HIS 23 HD2 HIS 23 1.172 -0.754 0.610
189 HE1 HIS 23 HE1 HIS 23 1.426 -2.992 4.170
190 H LYS 24 HN LYS 24 2.271 2.068 -0.013
191 HA LYS 24 HA LYS 24 3.671 -0.311 -0.451
192 HB2 LYS 24 HB2 LYS 24 2.238 0.785 -2.130
193 HB3 LYS 24 HB1 LYS 24 3.429 2.066 -2.301
194 HG2 LYS 24 HG2 LYS 24 5.053 0.454 -3.143
195 HG3 LYS 24 HG1 LYS 24 3.870 -0.841 -2.957
196 HD2 LYS 24 HD2 LYS 24 3.431 1.588 -4.688
197 HD3 LYS 24 HD1 LYS 24 4.106 0.074 -5.288
198 HE2 LYS 24 HE2 LYS 24 1.407 0.340 -3.953
199 HE3 LYS 24 HE1 LYS 24 1.659 0.315 -5.698
200 HZ1 LYS 24 HZ1 LYS 24 1.042 -1.864 -4.897
201 HZ2 LYS 24 HZ2 LYS 24 2.339 -1.874 -3.812
202 HZ3 LYS 24 HZ3 LYS 24 2.633 -1.898 -5.473
203 H ARG 25 HN ARG 25 4.816 2.861 0.290
204 HA ARG 25 HA ARG 25 7.437 2.626 -0.738
205 HB2 ARG 25 HB2 ARG 25 6.427 4.255 1.593
206 HB3 ARG 25 HB1 ARG 25 8.011 4.437 0.852
207 HG2 ARG 25 HG2 ARG 25 6.930 5.009 -1.277
208 HG3 ARG 25 HG1 ARG 25 5.356 4.885 -0.496
209 HD2 ARG 25 HD2 ARG 25 5.980 6.689 1.039
210 HD3 ARG 25 HD1 ARG 25 7.561 6.797 0.266
211 HE ARG 25 HE ARG 25 5.805 7.139 -1.787
212 HH11 ARG 25 HH11 ARG 25 6.251 8.712 1.316
213 HH12 ARG 25 HH12 ARG 25 5.696 10.257 0.750
214 HH21 ARG 25 HH21 ARG 25 5.030 10.514 -1.435
215 HH22 ARG 25 HH22 ARG 25 5.095 9.170 -2.532
216 H THR 26 HN THR 26 5.952 1.017 1.871
217 HA THR 26 HA THR 26 8.374 0.558 3.354
218 HB THR 26 HB THR 26 7.096 -1.105 4.626
219 HG1 THR 26 HG1 THR 26 4.879 -0.453 2.949
220 HG21 THR 26 HG21 THR 26 5.459 0.401 5.602
221 HG22 THR 26 HG22 THR 26 5.533 1.436 4.178
222 HG23 THR 26 HG23 THR 26 6.942 1.276 5.226
223 H HIS 27 HN HIS 27 6.804 -0.875 0.630
224 HA HIS 27 HA HIS 27 8.491 -3.252 0.735
225 HB2 HIS 27 HB2 HIS 27 6.571 -2.407 -1.447
226 HB3 HIS 27 HB1 HIS 27 7.345 -3.974 -1.283
227 HD1 HIS 27 HD1 HIS 27 6.606 -5.127 1.287
228 HD2 HIS 27 HD2 HIS 27 4.047 -2.501 -0.695
229 HE1 HIS 27 HE1 HIS 27 4.257 -5.574 2.187
230 H THR 28 HN THR 28 7.895 -0.474 -1.374
231 HA THR 28 HA THR 28 10.693 -0.558 -2.181
232 HB THR 28 HB THR 28 9.649 -1.735 -3.979
233 HG1 THR 28 HG1 THR 28 11.188 -0.025 -4.503
234 HG21 THR 28 HG21 THR 28 7.685 0.552 -4.136
235 HG22 THR 28 HG22 THR 28 7.334 -1.117 -3.690
236 HG23 THR 28 HG23 THR 28 7.829 -0.731 -5.337
237 H GLY 29 HN GLY 29 11.147 1.242 -1.002
238 HA2 GLY 29 HA2 GLY 29 10.423 3.760 -2.191
239 HA3 GLY 29 HA1 GLY 29 9.725 3.522 -0.597
240 H GLU 30 HN GLU 30 12.861 3.017 -2.185
241 HA GLU 30 HA GLU 30 14.172 4.636 -0.164
242 HB2 GLU 30 HB2 GLU 30 15.807 2.808 0.363
243 HB3 GLU 30 HB1 GLU 30 14.175 2.488 0.943
244 HG2 GLU 30 HG2 GLU 30 13.803 1.067 -1.060
245 HG3 GLU 30 HG1 GLU 30 15.489 1.322 -1.504
246 H LYS 31 HN LYS 31 13.704 4.738 -3.043
247 HA LYS 31 HA LYS 31 16.275 4.107 -4.248
248 HB2 LYS 31 HB2 LYS 31 13.753 5.242 -5.473
249 HB3 LYS 31 HB1 LYS 31 15.187 4.759 -6.364
250 HG2 LYS 31 HG2 LYS 31 14.874 2.453 -5.629
251 HG3 LYS 31 HG1 LYS 31 13.438 2.934 -4.724
252 HD2 LYS 31 HD2 LYS 31 12.360 3.638 -6.797
253 HD3 LYS 31 HD1 LYS 31 13.803 3.190 -7.709
254 HE2 LYS 31 HE2 LYS 31 13.523 0.863 -7.019
255 HE3 LYS 31 HE1 LYS 31 12.096 1.305 -6.084
256 HZ1 LYS 31 HZ1 LYS 31 11.521 0.366 -8.241
257 HZ2 LYS 31 HZ2 LYS 31 12.373 1.597 -9.024
258 HZ3 LYS 31 HZ3 LYS 31 10.996 1.968 -8.118
259 HN1 NH2 32 HN1 NH2 32 14.186 6.933 -4.666
260 HN2 NH2 32 HN2 NH2 32 15.446 8.112 -4.516
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 -13.655 4.365 -2.468
2 H2 ARG 1 HT2 ARG 1 -13.694 5.246 -3.910
3 H3 ARG 1 HT3 ARG 1 -12.301 5.255 -2.954
4 HA ARG 1 HA ARG 1 -13.423 2.914 -4.366
5 HB2 ARG 1 HB2 ARG 1 -12.328 4.599 -5.836
6 HB3 ARG 1 HB1 ARG 1 -10.872 4.464 -4.860
7 HG2 ARG 1 HG2 ARG 1 -10.785 2.042 -5.458
8 HG3 ARG 1 HG1 ARG 1 -12.121 2.330 -6.573
9 HD2 ARG 1 HD2 ARG 1 -9.388 3.607 -6.664
10 HD3 ARG 1 HD1 ARG 1 -10.019 2.391 -7.774
11 HE ARG 1 HE ARG 1 -11.797 4.450 -7.956
12 HH11 ARG 1 HH11 ARG 1 -8.223 5.429 -9.526
13 HH12 ARG 1 HH12 ARG 1 -8.335 4.137 -8.370
14 HH21 ARG 1 HH21 ARG 1 -10.120 6.563 -10.167
15 HH22 ARG 1 HH22 ARG 1 -11.663 6.136 -9.496
16 HA PRO 2 HA PRO 2 -10.999 0.757 -1.252
17 HB2 PRO 2 HB2 PRO 2 -11.496 -1.634 -2.856
18 HB3 PRO 2 HB1 PRO 2 -12.013 -1.272 -1.203
19 HG2 PRO 2 HG2 PRO 2 -13.748 -1.378 -3.281
20 HG3 PRO 2 HG1 PRO 2 -13.983 -0.300 -1.898
21 HD2 PRO 2 HD2 PRO 2 -12.932 0.332 -4.632
22 HD3 PRO 2 HD1 PRO 2 -14.037 1.268 -3.599
23 H PHE 3 HN PHE 3 -8.891 1.209 -1.530
24 HA PHE 3 HA PHE 3 -7.490 0.298 -3.931
25 HB2 PHE 3 HB2 PHE 3 -6.538 1.920 -1.557
26 HB3 PHE 3 HB1 PHE 3 -5.542 1.499 -2.938
27 HD1 PHE 3 HD1 PHE 3 -6.024 2.457 -5.153
28 HD2 PHE 3 HD2 PHE 3 -8.131 3.688 -1.669
29 HE1 PHE 3 HE1 PHE 3 -6.804 4.464 -6.338
30 HE2 PHE 3 HE2 PHE 3 -8.918 5.695 -2.849
31 HZ PHE 3 HZ PHE 3 -8.255 6.084 -5.188
32 H NLE 4 HN NLE 4 -5.874 -1.288 -3.877
33 HA NLE 4 HA NLE 4 -5.541 -2.680 -1.321
34 HB2 NLE 4 HB1 NLE 4 -6.300 -4.039 -3.913
35 HB3 NLE 4 HB2 NLE 4 -7.379 -3.776 -2.551
36 HG2 NLE 4 HG1 NLE 4 -5.888 -5.189 -1.159
37 HG3 NLE 4 HG2 NLE 4 -4.928 -5.525 -2.602
38 HD2 NLE 4 HD1 NLE 4 -6.880 -6.519 -3.686
39 HD3 NLE 4 HD2 NLE 4 -7.858 -6.169 -2.252
40 HE1 NLE 4 HE1 NLE 4 -5.430 -7.956 -2.344
41 HE2 NLE 4 HE2 NLE 4 -7.108 -8.493 -2.256
42 HE3 NLE 4 HE3 NLE 4 -6.397 -7.601 -0.912
43 H CYS 5 HN CYS 5 -3.524 -3.133 -0.918
44 HA CYS 5 HA CYS 5 -1.483 -2.839 -2.919
45 HB2 CYS 5 HB2 CYS 5 -0.956 -2.110 -0.689
46 HB3 CYS 5 HB1 CYS 5 -1.390 -3.677 -0.020
47 H THR 6 HN THR 6 -1.388 -4.381 -4.407
48 HA THR 6 HA THR 6 -1.970 -7.143 -3.712
49 HB THR 6 HB THR 6 -1.672 -7.455 -6.235
50 HG1 THR 6 HG1 THR 6 -0.694 -5.690 -7.008
51 HG21 THR 6 HG21 THR 6 -3.823 -5.593 -5.222
52 HG22 THR 6 HG22 THR 6 -3.867 -7.356 -5.176
53 HG23 THR 6 HG23 THR 6 -3.892 -6.511 -6.724
54 H TRP 7 HN TRP 7 0.570 -5.599 -3.016
55 HA TRP 7 HA TRP 7 2.695 -6.766 -4.479
56 HB2 TRP 7 HB2 TRP 7 2.754 -4.677 -3.005
57 HB3 TRP 7 HB1 TRP 7 2.841 -5.774 -1.634
58 HD1 TRP 7 HD1 TRP 7 4.911 -4.369 -4.475
59 HE1 TRP 7 HE1 TRP 7 7.374 -5.034 -4.143
60 HE3 TRP 7 HE3 TRP 7 4.338 -7.651 -0.609
61 HZ2 TRP 7 HZ2 TRP 7 8.873 -6.725 -2.453
62 HZ3 TRP 7 HZ3 TRP 7 6.339 -8.748 0.308
63 HH2 TRP 7 HH2 TRP 7 8.555 -8.295 -0.595
64 H NVA 8 HN NVX 8 2.922 -8.919 -4.560
65 HA NVA 8 HA NVX 8 3.098 -11.096 -3.958
66 HB2 NVA 8 HB1 NVX 8 4.261 -9.624 -1.622
67 HB3 NVA 8 HB2 NVX 8 5.087 -10.534 -2.878
68 HG2 NVA 8 HG1 NVX 8 5.191 -11.681 -0.746
69 HG3 NVA 8 HG2 NVX 8 4.251 -12.615 -1.921
70 HD1 NVA 8 HD NVX 8 3.232 -10.891 0.308
71 HA CYS 9 HA CYX 9 -0.203 -11.976 -0.974
72 HB2 CYS 9 HB2 CYX 9 0.605 -13.235 1.297
73 HB3 CYS 9 HB1 CYX 9 0.705 -13.982 -0.306
74 H CYS 10 HN CYS 10 1.125 -9.330 -0.330
75 HA CYS 10 HA CYS 10 0.763 -8.771 2.409
76 HB2 CYS 10 HB2 CYS 10 2.110 -7.358 0.936
77 HB3 CYS 10 HB1 CYS 10 0.673 -6.916 0.027
78 H GLY 11 HN GLY 11 -1.297 -7.701 -0.315
79 HA2 GLY 11 HA2 GLY 11 -3.556 -7.359 -0.445
80 HA3 GLY 11 HA1 GLY 11 -3.694 -8.686 0.693
81 H LYS 12 HN LYS 12 -2.584 -5.312 0.832
82 HA LYS 12 HA LYS 12 -4.204 -4.964 3.263
83 HB2 LYS 12 HB2 LYS 12 -1.763 -4.532 3.483
84 HB3 LYS 12 HB1 LYS 12 -1.891 -3.290 2.248
85 HG2 LYS 12 HG2 LYS 12 -1.832 -2.197 4.338
86 HG3 LYS 12 HG1 LYS 12 -3.494 -2.090 3.744
87 HD2 LYS 12 HD2 LYS 12 -4.135 -3.943 5.205
88 HD3 LYS 12 HD1 LYS 12 -2.469 -4.072 5.776
89 HE2 LYS 12 HE2 LYS 12 -2.587 -1.813 6.681
90 HE3 LYS 12 HE1 LYS 12 -4.236 -1.644 6.077
91 HZ1 LYS 12 HZ1 LYS 12 -3.338 -3.609 8.113
92 HZ2 LYS 12 HZ2 LYS 12 -4.920 -3.429 7.542
93 HZ3 LYS 12 HZ3 LYS 12 -4.197 -2.184 8.426
94 H ARG 13 HN ARG 13 -5.819 -3.424 3.303
95 HA ARG 13 HA ARG 13 -6.359 -2.183 0.690
96 HB2 ARG 13 HB2 ARG 13 -8.247 -3.200 2.807
97 HB3 ARG 13 HB1 ARG 13 -8.770 -2.220 1.444
98 HG2 ARG 13 HG2 ARG 13 -8.041 -3.900 -0.111
99 HG3 ARG 13 HG1 ARG 13 -7.342 -4.852 1.200
100 HD2 ARG 13 HD2 ARG 13 -10.266 -4.178 0.914
101 HD3 ARG 13 HD1 ARG 13 -9.533 -5.713 0.450
102 HE ARG 13 HE ARG 13 -8.809 -5.653 2.964
103 HH11 ARG 13 HH11 ARG 13 -11.889 -4.733 1.589
104 HH12 ARG 13 HH12 ARG 13 -12.791 -5.153 3.011
105 HH21 ARG 13 HH21 ARG 13 -9.994 -6.206 4.838
106 HH22 ARG 13 HH22 ARG 13 -11.714 -5.994 4.858
107 H PHE 14 HN PHE 14 -7.119 -0.117 0.543
108 HA PHE 14 HA PHE 14 -7.099 1.545 2.967
109 HB2 PHE 14 HB2 PHE 14 -5.692 2.309 0.397
110 HB3 PHE 14 HB1 PHE 14 -5.684 3.198 1.914
111 HD1 PHE 14 HD1 PHE 14 -4.213 0.529 0.007
112 HD2 PHE 14 HD2 PHE 14 -4.484 2.297 3.863
113 HE1 PHE 14 HE1 PHE 14 -2.170 -0.650 0.687
114 HE2 PHE 14 HE2 PHE 14 -2.442 1.116 4.551
115 HZ PHE 14 HZ PHE 14 -1.328 -0.416 2.980
116 H THR 15 HN THR 15 -8.092 3.669 2.586
117 HA THR 15 HA THR 15 -10.170 3.540 0.515
118 HB THR 15 HB THR 15 -11.247 5.371 1.880
119 HG1 THR 15 HG1 THR 15 -10.070 6.204 3.412
120 HG21 THR 15 HG21 THR 15 -10.726 2.750 3.295
121 HG22 THR 15 HG22 THR 15 -11.986 3.051 2.097
122 HG23 THR 15 HG23 THR 15 -12.042 3.867 3.659
123 H ARG 16 HN ARG 16 -7.229 4.942 1.223
124 HA ARG 16 HA ARG 16 -7.784 7.260 -0.502
125 HB2 ARG 16 HB2 ARG 16 -5.806 7.170 1.788
126 HB3 ARG 16 HB1 ARG 16 -6.206 8.569 0.806
127 HG2 ARG 16 HG2 ARG 16 -8.534 8.431 1.672
128 HG3 ARG 16 HG1 ARG 16 -8.002 7.146 2.756
129 HD2 ARG 16 HD2 ARG 16 -6.932 9.967 2.695
130 HD3 ARG 16 HD1 ARG 16 -8.058 9.320 3.883
131 HE ARG 16 HE ARG 16 -5.884 7.663 4.014
132 HH11 ARG 16 HH11 ARG 16 -5.120 11.332 5.464
133 HH12 ARG 16 HH12 ARG 16 -6.443 11.093 4.368
134 HH21 ARG 16 HH21 ARG 16 -3.810 9.568 6.097
135 HH22 ARG 16 HH22 ARG 16 -4.123 7.968 5.487
136 H SER 17 HN SER 17 -6.444 7.590 -2.172
137 HA SER 17 HA SER 17 -4.838 5.440 -3.059
138 HB2 SER 17 HB2 SER 17 -4.223 7.122 -4.895
139 HB3 SER 17 HB1 SER 17 -5.929 6.709 -4.725
140 HG SER 17 HG SER 17 -5.813 8.912 -4.865
141 H ASP 18 HN ASP 18 -4.039 8.624 -1.733
142 HA ASP 18 HA ASP 18 -1.238 8.421 -2.043
143 HB2 ASP 18 HB2 ASP 18 -2.886 10.005 -0.064
144 HB3 ASP 18 HB1 ASP 18 -1.140 10.147 -0.210
145 H GLU 19 HN GLU 19 -3.452 7.057 0.206
146 HA GLU 19 HA GLU 19 -1.570 6.477 2.273
147 HB2 GLU 19 HB2 GLU 19 -4.104 6.603 2.521
148 HB3 GLU 19 HB1 GLU 19 -4.165 5.027 1.748
149 HG2 GLU 19 HG2 GLU 19 -4.269 4.650 4.066
150 HG3 GLU 19 HG1 GLU 19 -2.644 4.196 3.553
151 H LEU 20 HN LEU 20 -3.017 4.675 -0.406
152 HA LEU 20 HA LEU 20 -1.689 2.241 -0.035
153 HB2 LEU 20 HB2 LEU 20 -3.493 2.358 -1.587
154 HB3 LEU 20 HB1 LEU 20 -2.699 3.615 -2.520
155 HG LEU 20 HG LEU 20 -0.958 1.972 -3.189
156 HD11 LEU 20 HD11 LEU 20 -2.748 -0.011 -1.797
157 HD12 LEU 20 HD12 LEU 20 -1.117 0.456 -1.303
158 HD13 LEU 20 HD13 LEU 20 -1.367 -0.408 -2.820
159 HD21 LEU 20 HD21 LEU 20 -3.775 1.118 -3.831
160 HD22 LEU 20 HD22 LEU 20 -2.334 0.759 -4.777
161 HD23 LEU 20 HD23 LEU 20 -2.895 2.423 -4.624
162 H GLN 21 HN GLN 21 -0.740 5.101 -1.914
163 HA GLN 21 HA GLN 21 1.686 4.070 -2.885
164 HB2 GLN 21 HB2 GLN 21 1.022 6.952 -2.244
165 HB3 GLN 21 HB1 GLN 21 2.326 6.402 -3.286
166 HG2 GLN 21 HG2 GLN 21 -0.624 6.093 -3.777
167 HG3 GLN 21 HG1 GLN 21 0.480 7.180 -4.616
168 HE21 GLN 21 HE21 GLN 21 -1.233 5.113 -5.687
169 HE22 GLN 21 HE22 GLN 21 -0.202 3.996 -6.520
170 H ARG 22 HN ARG 22 0.973 6.005 -0.004
171 HA ARG 22 HA ARG 22 3.534 6.220 1.058
172 HB2 ARG 22 HB2 ARG 22 1.621 7.457 1.930
173 HB3 ARG 22 HB1 ARG 22 0.872 5.965 2.465
174 HG2 ARG 22 HG2 ARG 22 2.660 5.632 4.085
175 HG3 ARG 22 HG1 ARG 22 3.432 7.124 3.537
176 HD2 ARG 22 HD2 ARG 22 0.643 6.961 4.679
177 HD3 ARG 22 HD1 ARG 22 2.075 7.407 5.608
178 HE ARG 22 HE ARG 22 2.299 9.318 4.042
179 HH11 ARG 22 HH11 ARG 22 -1.719 9.248 4.002
180 HH12 ARG 22 HH12 ARG 22 -0.854 7.801 4.436
181 HH21 ARG 22 HH21 ARG 22 1.143 11.190 3.477
182 HH22 ARG 22 HH22 ARG 22 -0.594 11.161 3.460
183 H HIS 23 HN HIS 23 1.077 3.724 1.595
184 HA HIS 23 HA HIS 23 2.555 2.156 3.382
185 HB2 HIS 23 HB2 HIS 23 0.255 1.692 3.314
186 HB3 HIS 23 HB1 HIS 23 0.235 1.587 1.558
187 HD1 HIS 23 HD1 HIS 23 0.792 -0.512 4.625
188 HD2 HIS 23 HD2 HIS 23 1.128 -0.821 0.480
189 HE1 HIS 23 HE1 HIS 23 1.242 -2.975 4.102
190 H LYS 24 HN LYS 24 2.226 1.925 -0.155
191 HA LYS 24 HA LYS 24 3.625 -0.487 -0.400
192 HB2 LYS 24 HB2 LYS 24 2.179 0.447 -2.167
193 HB3 LYS 24 HB1 LYS 24 3.376 1.701 -2.465
194 HG2 LYS 24 HG2 LYS 24 4.926 0.173 -3.325
195 HG3 LYS 24 HG1 LYS 24 4.050 -1.211 -2.673
196 HD2 LYS 24 HD2 LYS 24 3.755 -1.010 -5.092
197 HD3 LYS 24 HD1 LYS 24 2.229 -0.819 -4.231
198 HE2 LYS 24 HE2 LYS 24 2.304 1.566 -4.515
199 HE3 LYS 24 HE1 LYS 24 3.927 1.479 -5.198
200 HZ1 LYS 24 HZ1 LYS 24 2.271 1.733 -6.925
201 HZ2 LYS 24 HZ2 LYS 24 1.470 0.342 -6.408
202 HZ3 LYS 24 HZ3 LYS 24 3.025 0.226 -7.063
203 H ARG 25 HN ARG 25 4.798 2.715 0.128
204 HA ARG 25 HA ARG 25 7.415 2.310 -0.891
205 HB2 ARG 25 HB2 ARG 25 6.464 4.220 1.237
206 HB3 ARG 25 HB1 ARG 25 8.057 4.255 0.495
207 HG2 ARG 25 HG2 ARG 25 6.917 4.566 -1.715
208 HG3 ARG 25 HG1 ARG 25 5.408 4.773 -0.827
209 HD2 ARG 25 HD2 ARG 25 6.331 6.937 -1.297
210 HD3 ARG 25 HD1 ARG 25 6.465 6.626 0.432
211 HE ARG 25 HE ARG 25 8.742 6.206 -1.387
212 HH11 ARG 25 HH11 ARG 25 7.352 7.717 1.458
213 HH12 ARG 25 HH12 ARG 25 8.868 8.350 2.013
214 HH21 ARG 25 HH21 ARG 25 10.785 7.975 0.803
215 HH22 ARG 25 HH22 ARG 25 10.720 7.048 -0.664
216 H THR 26 HN THR 26 5.865 0.977 1.810
217 HA THR 26 HA THR 26 8.234 0.596 3.391
218 HB THR 26 HB THR 26 6.912 -1.007 4.700
219 HG1 THR 26 HG1 THR 26 4.776 -0.467 2.885
220 HG21 THR 26 HG21 THR 26 5.378 1.514 4.059
221 HG22 THR 26 HG22 THR 26 6.708 1.380 5.208
222 HG23 THR 26 HG23 THR 26 5.192 0.534 5.514
223 H HIS 27 HN HIS 27 6.718 -0.996 0.718
224 HA HIS 27 HA HIS 27 8.437 -3.342 0.950
225 HB2 HIS 27 HB2 HIS 27 6.586 -2.592 -1.323
226 HB3 HIS 27 HB1 HIS 27 7.350 -4.151 -1.064
227 HD1 HIS 27 HD1 HIS 27 6.482 -5.221 1.497
228 HD2 HIS 27 HD2 HIS 27 4.051 -2.622 -0.675
229 HE1 HIS 27 HE1 HIS 27 4.090 -5.618 2.293
230 H THR 28 HN THR 28 7.739 -0.854 -1.467
231 HA THR 28 HA THR 28 10.497 -1.118 -2.449
232 HB THR 28 HB THR 28 9.490 -0.434 -4.694
233 HG1 THR 28 HG1 THR 28 7.414 0.165 -3.746
234 HG21 THR 28 HG21 THR 28 10.274 -2.699 -4.309
235 HG22 THR 28 HG22 THR 28 8.760 -2.750 -5.212
236 HG23 THR 28 HG23 THR 28 8.769 -3.109 -3.483
237 H GLY 29 HN GLY 29 10.739 0.648 -0.762
238 HA2 GLY 29 HA2 GLY 29 9.832 3.273 -1.531
239 HA3 GLY 29 HA1 GLY 29 11.012 2.903 -0.279
240 H GLU 30 HN GLU 30 12.722 1.345 -1.893
241 HA GLU 30 HA GLU 30 14.507 1.465 -3.283
242 HB2 GLU 30 HB2 GLU 30 12.699 3.232 -4.939
243 HB3 GLU 30 HB1 GLU 30 14.111 2.357 -5.515
244 HG2 GLU 30 HG2 GLU 30 11.517 1.187 -4.530
245 HG3 GLU 30 HG1 GLU 30 12.142 1.173 -6.177
246 H LYS 31 HN LYS 31 14.279 3.496 -1.177
247 HA LYS 31 HA LYS 31 16.178 5.412 -2.330
248 HB2 LYS 31 HB2 LYS 31 13.881 6.023 -0.474
249 HB3 LYS 31 HB1 LYS 31 15.248 7.105 -0.666
250 HG2 LYS 31 HG2 LYS 31 14.735 7.251 -3.082
251 HG3 LYS 31 HG1 LYS 31 13.299 6.266 -2.801
252 HD2 LYS 31 HD2 LYS 31 12.388 7.942 -1.318
253 HD3 LYS 31 HD1 LYS 31 13.867 8.897 -1.438
254 HE2 LYS 31 HE2 LYS 31 13.448 9.224 -3.837
255 HE3 LYS 31 HE1 LYS 31 11.960 8.287 -3.699
256 HZ1 LYS 31 HZ1 LYS 31 11.573 10.693 -3.637
257 HZ2 LYS 31 HZ2 LYS 31 12.516 10.815 -2.240
258 HZ3 LYS 31 HZ3 LYS 31 11.068 9.941 -2.210
259 HN1 NH2 32 HN1 NH2 32 14.894 5.035 0.935
260 HN2 NH2 32 HN2 NH2 32 16.401 4.601 1.674
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 -13.827 3.215 -1.857
2 H2 ARG 1 HT2 ARG 1 -14.136 4.300 -3.111
3 H3 ARG 1 HT3 ARG 1 -12.727 4.451 -2.191
4 HA ARG 1 HA ARG 1 -13.401 2.225 -4.012
5 HB2 ARG 1 HB2 ARG 1 -11.278 4.376 -4.182
6 HB3 ARG 1 HB1 ARG 1 -11.429 3.022 -5.290
7 HG2 ARG 1 HG2 ARG 1 -13.632 3.843 -5.978
8 HG3 ARG 1 HG1 ARG 1 -13.447 5.219 -4.889
9 HD2 ARG 1 HD2 ARG 1 -11.435 5.907 -6.135
10 HD3 ARG 1 HD1 ARG 1 -11.676 4.553 -7.239
11 HE ARG 1 HE ARG 1 -13.981 6.229 -7.071
12 HH11 ARG 1 HH11 ARG 1 -11.249 6.902 -9.935
13 HH12 ARG 1 HH12 ARG 1 -10.824 5.936 -8.557
14 HH21 ARG 1 HH21 ARG 1 -13.353 7.770 -10.135
15 HH22 ARG 1 HH22 ARG 1 -14.547 7.471 -8.909
16 HA PRO 2 HA PRO 2 -10.617 0.093 -1.281
17 HB2 PRO 2 HB2 PRO 2 -10.622 -2.302 -2.511
18 HB3 PRO 2 HB1 PRO 2 -12.009 -1.714 -1.580
19 HG2 PRO 2 HG2 PRO 2 -11.601 -1.811 -4.530
20 HG3 PRO 2 HG1 PRO 2 -13.078 -2.073 -3.594
21 HD2 PRO 2 HD2 PRO 2 -12.420 0.273 -4.921
22 HD3 PRO 2 HD1 PRO 2 -13.601 0.145 -3.600
23 H PHE 3 HN PHE 3 -8.698 1.196 -1.675
24 HA PHE 3 HA PHE 3 -7.059 0.480 -3.958
25 HB2 PHE 3 HB2 PHE 3 -6.457 2.168 -1.521
26 HB3 PHE 3 HB1 PHE 3 -5.378 1.964 -2.892
27 HD1 PHE 3 HD1 PHE 3 -6.242 2.691 -5.192
28 HD2 PHE 3 HD2 PHE 3 -8.063 3.829 -1.523
29 HE1 PHE 3 HE1 PHE 3 -7.330 4.583 -6.326
30 HE2 PHE 3 HE2 PHE 3 -9.159 5.719 -2.648
31 HZ PHE 3 HZ PHE 3 -8.807 6.065 -5.102
32 H NLE 4 HN NLE 4 -6.302 -1.548 -3.918
33 HA NLE 4 HA NLE 4 -5.529 -2.669 -1.318
34 HB2 NLE 4 HB1 NLE 4 -6.296 -4.106 -3.865
35 HB3 NLE 4 HB2 NLE 4 -7.367 -3.816 -2.502
36 HG2 NLE 4 HG1 NLE 4 -5.865 -5.175 -1.082
37 HG3 NLE 4 HG2 NLE 4 -4.889 -5.528 -2.511
38 HD2 NLE 4 HD1 NLE 4 -6.805 -6.595 -3.579
39 HD3 NLE 4 HD2 NLE 4 -7.814 -6.206 -2.178
40 HE1 NLE 4 HE1 NLE 4 -7.039 -8.517 -2.084
41 HE2 NLE 4 HE2 NLE 4 -6.363 -7.570 -0.759
42 HE3 NLE 4 HE3 NLE 4 -5.367 -7.966 -2.160
43 H CYS 5 HN CYS 5 -3.519 -3.189 -0.925
44 HA CYS 5 HA CYS 5 -1.484 -2.932 -2.948
45 HB2 CYS 5 HB2 CYS 5 -1.000 -2.152 -0.695
46 HB3 CYS 5 HB1 CYS 5 -1.338 -3.749 -0.041
47 H THR 6 HN THR 6 -1.388 -4.523 -4.390
48 HA THR 6 HA THR 6 -1.964 -7.267 -3.610
49 HB THR 6 HB THR 6 -1.722 -7.648 -6.124
50 HG1 THR 6 HG1 THR 6 -2.210 -5.269 -7.017
51 HG21 THR 6 HG21 THR 6 -3.912 -7.466 -5.064
52 HG22 THR 6 HG22 THR 6 -3.922 -6.648 -6.627
53 HG23 THR 6 HG23 THR 6 -3.820 -5.707 -5.140
54 H TRP 7 HN TRP 7 0.600 -5.720 -2.991
55 HA TRP 7 HA TRP 7 2.694 -6.913 -4.477
56 HB2 TRP 7 HB2 TRP 7 2.811 -4.814 -3.027
57 HB3 TRP 7 HB1 TRP 7 2.898 -5.895 -1.645
58 HD1 TRP 7 HD1 TRP 7 4.944 -4.604 -4.564
59 HE1 TRP 7 HE1 TRP 7 7.402 -5.296 -4.248
60 HE3 TRP 7 HE3 TRP 7 4.387 -7.741 -0.573
61 HZ2 TRP 7 HZ2 TRP 7 8.903 -6.951 -2.520
62 HZ3 TRP 7 HZ3 TRP 7 6.385 -8.836 0.352
63 HH2 TRP 7 HH2 TRP 7 8.593 -8.450 -0.602
64 H NVA 8 HN NVX 8 2.869 -9.081 -4.552
65 HA NVA 8 HA NVX 8 3.010 -11.254 -3.935
66 HB2 NVA 8 HB1 NVX 8 4.311 -9.799 -1.661
67 HB3 NVA 8 HB2 NVX 8 5.060 -10.728 -2.951
68 HG2 NVA 8 HG1 NVX 8 5.229 -11.887 -0.830
69 HG3 NVA 8 HG2 NVX 8 4.200 -12.789 -1.953
70 HD1 NVA 8 HD NVX 8 3.355 -11.027 0.316
71 HA CYS 9 HA CYX 9 -0.172 -12.018 -0.806
72 HB2 CYS 9 HB2 CYX 9 0.712 -13.240 1.471
73 HB3 CYS 9 HB1 CYX 9 0.686 -14.036 -0.111
74 H CYS 10 HN CYS 10 1.012 -9.358 -0.387
75 HA CYS 10 HA CYS 10 0.798 -8.707 2.375
76 HB2 CYS 10 HB2 CYS 10 2.065 -7.353 0.729
77 HB3 CYS 10 HB1 CYS 10 0.550 -6.893 -0.030
78 H GLY 11 HN GLY 11 -1.331 -7.624 -0.297
79 HA2 GLY 11 HA2 GLY 11 -3.603 -7.389 -0.413
80 HA3 GLY 11 HA1 GLY 11 -3.686 -8.722 0.724
81 H LYS 12 HN LYS 12 -2.980 -5.237 0.672
82 HA LYS 12 HA LYS 12 -4.578 -4.988 3.131
83 HB2 LYS 12 HB2 LYS 12 -2.069 -4.720 3.436
84 HB3 LYS 12 HB1 LYS 12 -2.186 -3.279 2.437
85 HG2 LYS 12 HG2 LYS 12 -3.531 -2.169 4.039
86 HG3 LYS 12 HG1 LYS 12 -3.754 -3.656 4.973
87 HD2 LYS 12 HD2 LYS 12 -1.360 -3.707 5.460
88 HD3 LYS 12 HD1 LYS 12 -1.133 -2.219 4.542
89 HE2 LYS 12 HE2 LYS 12 -2.591 -1.033 6.113
90 HE3 LYS 12 HE1 LYS 12 -2.831 -2.526 7.019
91 HZ1 LYS 12 HZ1 LYS 12 -0.245 -1.112 6.648
92 HZ2 LYS 12 HZ2 LYS 12 -0.450 -2.570 7.479
93 HZ3 LYS 12 HZ3 LYS 12 -1.164 -1.156 8.066
94 H ARG 13 HN ARG 13 -6.161 -3.471 3.058
95 HA ARG 13 HA ARG 13 -6.423 -2.052 0.496
96 HB2 ARG 13 HB2 ARG 13 -8.558 -2.939 2.440
97 HB3 ARG 13 HB1 ARG 13 -8.857 -2.056 0.951
98 HG2 ARG 13 HG2 ARG 13 -8.012 -3.906 -0.353
99 HG3 ARG 13 HG1 ARG 13 -7.605 -4.784 1.123
100 HD2 ARG 13 HD2 ARG 13 -9.973 -4.810 1.749
101 HD3 ARG 13 HD1 ARG 13 -10.374 -3.940 0.271
102 HE ARG 13 HE ARG 13 -9.635 -5.905 -0.970
103 HH11 ARG 13 HH11 ARG 13 -10.227 -6.326 2.456
104 HH12 ARG 13 HH12 ARG 13 -10.573 -8.019 2.320
105 HH21 ARG 13 HH21 ARG 13 -10.088 -8.140 -1.149
106 HH22 ARG 13 HH22 ARG 13 -10.500 -9.049 0.268
107 H PHE 14 HN PHE 14 -6.914 0.073 0.405
108 HA PHE 14 HA PHE 14 -7.156 1.568 2.933
109 HB2 PHE 14 HB2 PHE 14 -5.559 2.449 0.516
110 HB3 PHE 14 HB1 PHE 14 -5.686 3.292 2.054
111 HD1 PHE 14 HD1 PHE 14 -4.126 0.567 0.239
112 HD2 PHE 14 HD2 PHE 14 -4.548 2.452 4.027
113 HE1 PHE 14 HE1 PHE 14 -2.151 -0.650 1.058
114 HE2 PHE 14 HE2 PHE 14 -2.576 1.241 4.854
115 HZ PHE 14 HZ PHE 14 -1.378 -0.310 3.367
116 H THR 15 HN THR 15 -8.243 3.638 2.696
117 HA THR 15 HA THR 15 -10.183 3.619 0.504
118 HB THR 15 HB THR 15 -11.169 3.832 2.706
119 HG1 THR 15 HG1 THR 15 -11.276 6.009 0.941
120 HG21 THR 15 HG21 THR 15 -10.722 5.770 4.153
121 HG22 THR 15 HG22 THR 15 -9.471 6.306 3.035
122 HG23 THR 15 HG23 THR 15 -9.275 4.792 3.912
123 H ARG 16 HN ARG 16 -7.229 4.941 1.169
124 HA ARG 16 HA ARG 16 -7.707 7.170 -0.688
125 HB2 ARG 16 HB2 ARG 16 -5.926 7.188 1.761
126 HB3 ARG 16 HB1 ARG 16 -5.970 8.460 0.553
127 HG2 ARG 16 HG2 ARG 16 -8.291 8.922 1.095
128 HG3 ARG 16 HG1 ARG 16 -8.282 7.611 2.274
129 HD2 ARG 16 HD2 ARG 16 -6.617 10.123 2.369
130 HD3 ARG 16 HD1 ARG 16 -7.996 9.744 3.393
131 HE ARG 16 HE ARG 16 -5.343 8.497 3.509
132 HH11 ARG 16 HH11 ARG 16 -8.136 8.210 6.381
133 HH12 ARG 16 HH12 ARG 16 -8.533 8.965 4.873
134 HH21 ARG 16 HH21 ARG 16 -6.018 7.400 6.746
135 HH22 ARG 16 HH22 ARG 16 -4.799 7.535 5.507
136 H SER 17 HN SER 17 -6.285 7.354 -2.329
137 HA SER 17 HA SER 17 -4.586 5.139 -2.886
138 HB2 SER 17 HB2 SER 17 -3.976 6.560 -4.914
139 HB3 SER 17 HB1 SER 17 -5.680 6.141 -4.742
140 HG SER 17 HG SER 17 -4.830 8.492 -5.126
141 H ASP 18 HN ASP 18 -4.100 8.399 -1.709
142 HA ASP 18 HA ASP 18 -1.288 8.482 -1.902
143 HB2 ASP 18 HB2 ASP 18 -3.067 9.817 0.154
144 HB3 ASP 18 HB1 ASP 18 -1.388 10.225 -0.165
145 H GLU 19 HN GLU 19 -3.479 7.086 0.416
146 HA GLU 19 HA GLU 19 -1.535 6.525 2.421
147 HB2 GLU 19 HB2 GLU 19 -4.087 6.681 2.687
148 HB3 GLU 19 HB1 GLU 19 -4.134 5.054 2.028
149 HG2 GLU 19 HG2 GLU 19 -4.220 4.922 4.407
150 HG3 GLU 19 HG1 GLU 19 -2.656 4.315 3.865
151 H LEU 20 HN LEU 20 -3.015 4.719 -0.234
152 HA LEU 20 HA LEU 20 -1.691 2.277 0.169
153 HB2 LEU 20 HB2 LEU 20 -3.518 2.362 -1.360
154 HB3 LEU 20 HB1 LEU 20 -2.732 3.590 -2.335
155 HG LEU 20 HG LEU 20 -1.003 1.935 -2.988
156 HD11 LEU 20 HD11 LEU 20 -1.129 0.476 -1.045
157 HD12 LEU 20 HD12 LEU 20 -1.378 -0.434 -2.536
158 HD13 LEU 20 HD13 LEU 20 -2.756 -0.025 -1.516
159 HD21 LEU 20 HD21 LEU 20 -2.360 0.715 -4.543
160 HD22 LEU 20 HD22 LEU 20 -3.035 2.334 -4.360
161 HD23 LEU 20 HD23 LEU 20 -3.795 0.962 -3.555
162 H GLN 21 HN GLN 21 -0.775 5.084 -1.819
163 HA GLN 21 HA GLN 21 1.645 4.035 -2.781
164 HB2 GLN 21 HB2 GLN 21 0.521 6.059 -3.672
165 HB3 GLN 21 HB1 GLN 21 0.977 6.929 -2.214
166 HG2 GLN 21 HG2 GLN 21 2.466 7.457 -4.052
167 HG3 GLN 21 HG1 GLN 21 3.330 6.632 -2.756
168 HE21 GLN 21 HE21 GLN 21 2.088 6.376 -5.994
169 HE22 GLN 21 HE22 GLN 21 2.982 4.961 -6.437
170 H ARG 22 HN ARG 22 0.930 6.004 0.065
171 HA ARG 22 HA ARG 22 3.466 6.289 1.145
172 HB2 ARG 22 HB2 ARG 22 1.439 7.389 2.012
173 HB3 ARG 22 HB1 ARG 22 0.840 5.843 2.578
174 HG2 ARG 22 HG2 ARG 22 2.768 5.696 4.113
175 HG3 ARG 22 HG1 ARG 22 3.256 7.313 3.595
176 HD2 ARG 22 HD2 ARG 22 1.079 8.185 4.332
177 HD3 ARG 22 HD1 ARG 22 0.628 6.575 4.882
178 HE ARG 22 HE ARG 22 3.042 7.722 6.032
179 HH11 ARG 22 HH11 ARG 22 -0.389 7.277 8.079
180 HH12 ARG 22 HH12 ARG 22 -0.369 7.000 6.362
181 HH21 ARG 22 HH21 ARG 22 3.018 8.088 8.297
182 HH22 ARG 22 HH22 ARG 22 1.533 7.890 9.177
183 H HIS 23 HN HIS 23 1.078 3.730 1.763
184 HA HIS 23 HA HIS 23 2.669 2.122 3.406
185 HB2 HIS 23 HB2 HIS 23 0.364 1.629 3.404
186 HB3 HIS 23 HB1 HIS 23 0.291 1.567 1.647
187 HD1 HIS 23 HD1 HIS 23 1.140 -0.574 4.643
188 HD2 HIS 23 HD2 HIS 23 1.092 -0.805 0.474
189 HE1 HIS 23 HE1 HIS 23 1.578 -3.015 4.033
190 H LYS 24 HN LYS 24 2.239 2.111 -0.102
191 HA LYS 24 HA LYS 24 3.584 -0.237 -0.712
192 HB2 LYS 24 HB2 LYS 24 2.234 1.176 -2.283
193 HB3 LYS 24 HB1 LYS 24 3.596 2.281 -2.380
194 HG2 LYS 24 HG2 LYS 24 3.625 0.864 -4.294
195 HG3 LYS 24 HG1 LYS 24 4.976 0.415 -3.253
196 HD2 LYS 24 HD2 LYS 24 3.718 -1.475 -2.397
197 HD3 LYS 24 HD1 LYS 24 2.313 -1.000 -3.349
198 HE2 LYS 24 HE2 LYS 24 4.994 -1.830 -4.459
199 HE3 LYS 24 HE1 LYS 24 3.545 -2.833 -4.405
200 HZ1 LYS 24 HZ1 LYS 24 2.438 -1.212 -5.831
201 HZ2 LYS 24 HZ2 LYS 24 3.811 -1.853 -6.575
202 HZ3 LYS 24 HZ3 LYS 24 3.858 -0.298 -5.917
203 H ARG 25 HN ARG 25 4.849 2.901 0.143
204 HA ARG 25 HA ARG 25 7.471 2.523 -0.840
205 HB2 ARG 25 HB2 ARG 25 6.401 4.308 1.330
206 HB3 ARG 25 HB1 ARG 25 8.081 4.327 0.816
207 HG2 ARG 25 HG2 ARG 25 7.359 4.883 -1.468
208 HG3 ARG 25 HG1 ARG 25 5.687 4.927 -0.907
209 HD2 ARG 25 HD2 ARG 25 6.237 6.734 0.628
210 HD3 ARG 25 HD1 ARG 25 7.923 6.663 0.128
211 HE ARG 25 HE ARG 25 6.759 7.150 -2.200
212 HH11 ARG 25 HH11 ARG 25 6.143 8.565 0.938
213 HH12 ARG 25 HH12 ARG 25 5.671 10.105 0.297
214 HH21 ARG 25 HH21 ARG 25 5.683 10.462 -1.971
215 HH22 ARG 25 HH22 ARG 25 6.171 9.195 -3.051
216 H THR 26 HN THR 26 5.905 0.980 1.726
217 HA THR 26 HA THR 26 8.221 0.509 3.343
218 HB THR 26 HB THR 26 6.901 -1.249 4.435
219 HG1 THR 26 HG1 THR 26 4.741 -0.618 2.700
220 HG21 THR 26 HG21 THR 26 6.557 1.056 5.166
221 HG22 THR 26 HG22 THR 26 5.057 0.138 5.274
222 HG23 THR 26 HG23 THR 26 5.303 1.268 3.944
223 H HIS 27 HN HIS 27 6.711 -1.029 0.583
224 HA HIS 27 HA HIS 27 8.491 -3.320 0.681
225 HB2 HIS 27 HB2 HIS 27 6.609 -2.499 -1.541
226 HB3 HIS 27 HB1 HIS 27 7.391 -4.059 -1.355
227 HD1 HIS 27 HD1 HIS 27 6.569 -5.300 1.121
228 HD2 HIS 27 HD2 HIS 27 4.097 -2.513 -0.755
229 HE1 HIS 27 HE1 HIS 27 4.202 -5.719 1.983
230 H THR 28 HN THR 28 8.037 -0.364 -1.163
231 HA THR 28 HA THR 28 10.817 -0.273 -1.842
232 HB THR 28 HB THR 28 9.996 -1.760 -3.626
233 HG1 THR 28 HG1 THR 28 10.793 -0.472 -5.379
234 HG21 THR 28 HG21 THR 28 7.683 -1.040 -3.778
235 HG22 THR 28 HG22 THR 28 8.462 -0.881 -5.353
236 HG23 THR 28 HG23 THR 28 8.190 0.547 -4.355
237 H GLY 29 HN GLY 29 11.471 1.795 -2.158
238 HA2 GLY 29 HA2 GLY 29 9.698 3.768 -1.130
239 HA3 GLY 29 HA1 GLY 29 11.356 4.029 -1.634
240 H GLU 30 HN GLU 30 11.009 3.166 -4.357
241 HA GLU 30 HA GLU 30 8.912 4.736 -5.520
242 HB2 GLU 30 HB2 GLU 30 10.586 6.475 -4.860
243 HB3 GLU 30 HB1 GLU 30 11.767 5.680 -5.891
244 HG2 GLU 30 HG2 GLU 30 10.740 7.649 -6.942
245 HG3 GLU 30 HG1 GLU 30 10.467 6.163 -7.851
246 H LYS 31 HN LYS 31 8.714 4.407 -7.754
247 HA LYS 31 HA LYS 31 10.627 2.806 -9.187
248 HB2 LYS 31 HB2 LYS 31 9.429 1.072 -7.889
249 HB3 LYS 31 HB1 LYS 31 7.904 1.638 -8.553
250 HG2 LYS 31 HG2 LYS 31 8.723 1.061 -10.817
251 HG3 LYS 31 HG1 LYS 31 10.177 0.390 -10.079
252 HD2 LYS 31 HD2 LYS 31 7.362 -0.531 -9.509
253 HD3 LYS 31 HD1 LYS 31 8.479 -1.328 -10.619
254 HE2 LYS 31 HE2 LYS 31 10.019 -1.761 -8.785
255 HE3 LYS 31 HE1 LYS 31 8.955 -0.911 -7.666
256 HZ1 LYS 31 HZ1 LYS 31 8.658 -3.290 -7.498
257 HZ2 LYS 31 HZ2 LYS 31 8.292 -3.398 -9.145
258 HZ3 LYS 31 HZ3 LYS 31 7.248 -2.574 -8.100
259 HN1 NH2 32 HN1 NH2 32 10.637 4.366 -10.725
260 HN2 NH2 32 HN2 NH2 32 9.271 4.787 -11.702
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 -12.098 4.692 -3.521
2 H2 ARG 1 HT2 ARG 1 -13.465 3.793 -3.097
3 H3 ARG 1 HT3 ARG 1 -13.351 4.479 -4.636
4 HA ARG 1 HA ARG 1 -12.929 2.121 -4.723
5 HB2 ARG 1 HB2 ARG 1 -11.758 3.641 -6.297
6 HB3 ARG 1 HB1 ARG 1 -10.425 3.763 -5.156
7 HG2 ARG 1 HG2 ARG 1 -10.175 1.265 -5.351
8 HG3 ARG 1 HG1 ARG 1 -11.323 1.339 -6.687
9 HD2 ARG 1 HD2 ARG 1 -8.652 2.732 -6.532
10 HD3 ARG 1 HD1 ARG 1 -9.052 1.338 -7.533
11 HE ARG 1 HE ARG 1 -10.835 3.327 -8.240
12 HH11 ARG 1 HH11 ARG 1 -7.101 3.890 -9.619
13 HH12 ARG 1 HH12 ARG 1 -7.372 2.846 -8.263
14 HH21 ARG 1 HH21 ARG 1 -8.887 4.943 -10.636
15 HH22 ARG 1 HH22 ARG 1 -10.493 4.700 -10.034
16 HA PRO 2 HA PRO 2 -10.557 0.545 -1.231
17 HB2 PRO 2 HB2 PRO 2 -10.760 -2.093 -2.386
18 HB3 PRO 2 HB1 PRO 2 -11.578 -1.459 -0.954
19 HG2 PRO 2 HG2 PRO 2 -12.863 -2.111 -3.286
20 HG3 PRO 2 HG1 PRO 2 -13.465 -0.920 -2.126
21 HD2 PRO 2 HD2 PRO 2 -12.004 -0.483 -4.703
22 HD3 PRO 2 HD1 PRO 2 -13.360 0.427 -4.002
23 H PHE 3 HN PHE 3 -8.530 1.309 -1.685
24 HA PHE 3 HA PHE 3 -7.001 0.347 -3.930
25 HB2 PHE 3 HB2 PHE 3 -6.228 2.085 -1.575
26 HB3 PHE 3 HB1 PHE 3 -5.198 1.762 -2.960
27 HD1 PHE 3 HD1 PHE 3 -5.854 2.607 -5.208
28 HD2 PHE 3 HD2 PHE 3 -7.940 3.704 -1.666
29 HE1 PHE 3 HE1 PHE 3 -6.846 4.520 -6.390
30 HE2 PHE 3 HE2 PHE 3 -8.940 5.617 -2.844
31 HZ PHE 3 HZ PHE 3 -8.405 6.010 -5.230
32 H NLE 4 HN NLE 4 -6.280 -1.682 -3.856
33 HA NLE 4 HA NLE 4 -5.547 -2.783 -1.230
34 HB2 NLE 4 HB1 NLE 4 -6.435 -4.246 -3.720
35 HB3 NLE 4 HB2 NLE 4 -7.457 -3.875 -2.340
36 HG2 NLE 4 HG1 NLE 4 -5.969 -5.266 -0.924
37 HG3 NLE 4 HG2 NLE 4 -5.066 -5.704 -2.375
38 HD2 NLE 4 HD1 NLE 4 -7.082 -6.685 -3.347
39 HD3 NLE 4 HD2 NLE 4 -8.002 -6.230 -1.904
40 HE1 NLE 4 HE1 NLE 4 -5.641 -8.103 -1.980
41 HE2 NLE 4 HE2 NLE 4 -7.332 -8.573 -1.811
42 HE3 NLE 4 HE3 NLE 4 -6.545 -7.642 -0.538
43 H CYS 5 HN CYS 5 -3.503 -3.016 -0.871
44 HA CYS 5 HA CYS 5 -1.497 -2.894 -2.860
45 HB2 CYS 5 HB2 CYS 5 -1.056 -2.200 -0.560
46 HB3 CYS 5 HB1 CYS 5 -1.338 -3.841 0.007
47 H THR 6 HN THR 6 -1.576 -4.429 -4.386
48 HA THR 6 HA THR 6 -2.042 -7.211 -3.662
49 HB THR 6 HB THR 6 -1.527 -6.230 -6.461
50 HG1 THR 6 HG1 THR 6 -3.351 -5.173 -4.908
51 HG21 THR 6 HG21 THR 6 -3.107 -8.016 -7.036
52 HG22 THR 6 HG22 THR 6 -3.337 -8.372 -5.326
53 HG23 THR 6 HG23 THR 6 -1.768 -8.650 -6.079
54 H TRP 7 HN TRP 7 0.421 -5.862 -2.875
55 HA TRP 7 HA TRP 7 2.525 -6.872 -4.553
56 HB2 TRP 7 HB2 TRP 7 2.633 -4.766 -3.103
57 HB3 TRP 7 HB1 TRP 7 2.795 -5.848 -1.729
58 HD1 TRP 7 HD1 TRP 7 4.716 -4.480 -4.696
59 HE1 TRP 7 HE1 TRP 7 7.198 -5.129 -4.471
60 HE3 TRP 7 HE3 TRP 7 4.353 -7.681 -0.735
61 HZ2 TRP 7 HZ2 TRP 7 8.786 -6.777 -2.818
62 HZ3 TRP 7 HZ3 TRP 7 6.403 -8.751 0.108
63 HH2 TRP 7 HH2 TRP 7 8.571 -8.309 -0.912
64 H NVA 8 HN NVX 8 2.823 -9.023 -4.614
65 HA NVA 8 HA NVX 8 3.000 -11.195 -3.990
66 HB2 NVA 8 HB1 NVX 8 4.263 -9.689 -1.728
67 HB3 NVA 8 HB2 NVX 8 5.032 -10.625 -2.999
68 HG2 NVA 8 HG1 NVX 8 5.218 -11.736 -0.852
69 HG3 NVA 8 HG2 NVX 8 4.231 -12.685 -1.973
70 HD1 NVA 8 HD NVX 8 3.314 -10.927 0.268
71 HA CYS 9 HA CYX 9 -0.184 -11.988 -0.856
72 HB2 CYS 9 HB2 CYX 9 0.707 -13.240 1.385
73 HB3 CYS 9 HB1 CYX 9 0.743 -14.000 -0.214
74 H CYS 10 HN CYS 10 1.053 -9.326 -0.370
75 HA CYS 10 HA CYS 10 0.831 -8.707 2.387
76 HB2 CYS 10 HB2 CYS 10 2.084 -7.335 0.757
77 HB3 CYS 10 HB1 CYS 10 0.571 -6.882 -0.008
78 H GLY 11 HN GLY 11 -1.323 -7.571 -0.235
79 HA2 GLY 11 HA2 GLY 11 -3.601 -7.410 -0.358
80 HA3 GLY 11 HA1 GLY 11 -3.655 -8.742 0.780
81 H LYS 12 HN LYS 12 -2.903 -5.257 0.816
82 HA LYS 12 HA LYS 12 -4.651 -5.035 3.179
83 HB2 LYS 12 HB2 LYS 12 -2.161 -3.447 2.526
84 HB3 LYS 12 HB1 LYS 12 -3.262 -3.069 3.845
85 HG2 LYS 12 HG2 LYS 12 -2.779 -5.225 4.873
86 HG3 LYS 12 HG1 LYS 12 -1.672 -5.610 3.548
87 HD2 LYS 12 HD2 LYS 12 -0.290 -3.695 4.142
88 HD3 LYS 12 HD1 LYS 12 -1.397 -3.286 5.451
89 HE2 LYS 12 HE2 LYS 12 0.562 -4.461 6.299
90 HE3 LYS 12 HE1 LYS 12 -0.900 -5.411 6.543
91 HZ1 LYS 12 HZ1 LYS 12 0.997 -6.727 5.735
92 HZ2 LYS 12 HZ2 LYS 12 1.014 -5.821 4.307
93 HZ3 LYS 12 HZ3 LYS 12 -0.324 -6.786 4.684
94 H ARG 13 HN ARG 13 -6.230 -3.496 3.113
95 HA ARG 13 HA ARG 13 -6.491 -2.098 0.539
96 HB2 ARG 13 HB2 ARG 13 -8.609 -2.991 2.496
97 HB3 ARG 13 HB1 ARG 13 -8.934 -2.054 1.045
98 HG2 ARG 13 HG2 ARG 13 -8.122 -3.871 -0.338
99 HG3 ARG 13 HG1 ARG 13 -7.703 -4.797 1.104
100 HD2 ARG 13 HD2 ARG 13 -10.046 -4.861 1.757
101 HD3 ARG 13 HD1 ARG 13 -10.477 -3.892 0.352
102 HE ARG 13 HE ARG 13 -9.649 -5.814 -1.004
103 HH11 ARG 13 HH11 ARG 13 -10.701 -6.326 2.298
104 HH12 ARG 13 HH12 ARG 13 -11.196 -7.962 2.020
105 HH21 ARG 13 HH21 ARG 13 -10.303 -7.972 -1.367
106 HH22 ARG 13 HH22 ARG 13 -10.978 -8.897 -0.065
107 H PHE 14 HN PHE 14 -6.863 0.026 0.431
108 HA PHE 14 HA PHE 14 -7.149 1.562 2.928
109 HB2 PHE 14 HB2 PHE 14 -5.454 2.410 0.566
110 HB3 PHE 14 HB1 PHE 14 -5.563 3.199 2.135
111 HD1 PHE 14 HD1 PHE 14 -4.020 0.577 0.198
112 HD2 PHE 14 HD2 PHE 14 -4.549 2.142 4.115
113 HE1 PHE 14 HE1 PHE 14 -2.107 -0.754 0.984
114 HE2 PHE 14 HE2 PHE 14 -2.642 0.810 4.909
115 HZ PHE 14 HZ PHE 14 -1.418 -0.639 3.342
116 H THR 15 HN THR 15 -8.361 3.502 2.701
117 HA THR 15 HA THR 15 -10.058 3.565 0.324
118 HB THR 15 HB THR 15 -11.287 5.356 1.676
119 HG1 THR 15 HG1 THR 15 -10.371 5.926 3.488
120 HG21 THR 15 HG21 THR 15 -12.141 3.084 1.466
121 HG22 THR 15 HG22 THR 15 -12.400 3.677 3.106
122 HG23 THR 15 HG23 THR 15 -11.087 2.547 2.774
123 H ARG 16 HN ARG 16 -7.167 4.736 1.027
124 HA ARG 16 HA ARG 16 -7.581 7.245 -0.451
125 HB2 ARG 16 HB2 ARG 16 -5.628 6.834 1.826
126 HB3 ARG 16 HB1 ARG 16 -5.862 8.320 0.919
127 HG2 ARG 16 HG2 ARG 16 -7.973 7.013 2.618
128 HG3 ARG 16 HG1 ARG 16 -6.915 8.319 3.159
129 HD2 ARG 16 HD2 ARG 16 -7.799 9.752 1.373
130 HD3 ARG 16 HD1 ARG 16 -8.866 8.448 0.861
131 HE ARG 16 HE ARG 16 -9.363 8.893 3.557
132 HH11 ARG 16 HH11 ARG 16 -10.961 11.624 1.078
133 HH12 ARG 16 HH12 ARG 16 -9.629 10.648 0.545
134 HH21 ARG 16 HH21 ARG 16 -11.796 11.360 3.209
135 HH22 ARG 16 HH22 ARG 16 -11.091 10.195 4.281
136 H SER 17 HN SER 17 -6.346 7.411 -2.211
137 HA SER 17 HA SER 17 -4.716 5.274 -3.075
138 HB2 SER 17 HB2 SER 17 -4.117 6.887 -4.944
139 HB3 SER 17 HB1 SER 17 -5.843 6.582 -4.730
140 HG SER 17 HG SER 17 -4.666 8.904 -4.761
141 H ASP 18 HN ASP 18 -3.966 8.483 -1.785
142 HA ASP 18 HA ASP 18 -1.161 8.295 -2.082
143 HB2 ASP 18 HB2 ASP 18 -1.015 10.204 -0.635
144 HB3 ASP 18 HB1 ASP 18 -2.434 10.421 -1.650
145 H GLU 19 HN GLU 19 -3.382 7.034 0.258
146 HA GLU 19 HA GLU 19 -1.431 6.478 2.263
147 HB2 GLU 19 HB2 GLU 19 -3.907 6.682 2.682
148 HB3 GLU 19 HB1 GLU 19 -4.103 5.123 1.894
149 HG2 GLU 19 HG2 GLU 19 -2.783 4.045 3.578
150 HG3 GLU 19 HG1 GLU 19 -2.394 5.594 4.324
151 H LEU 20 HN LEU 20 -2.955 4.658 -0.358
152 HA LEU 20 HA LEU 20 -1.608 2.228 0.045
153 HB2 LEU 20 HB2 LEU 20 -3.435 2.296 -1.490
154 HB3 LEU 20 HB1 LEU 20 -2.654 3.527 -2.467
155 HG LEU 20 HG LEU 20 -0.900 1.872 -3.083
156 HD11 LEU 20 HD11 LEU 20 -1.306 -0.498 -2.638
157 HD12 LEU 20 HD12 LEU 20 -2.681 -0.067 -1.620
158 HD13 LEU 20 HD13 LEU 20 -1.049 0.418 -1.153
159 HD21 LEU 20 HD21 LEU 20 -2.930 2.274 -4.480
160 HD22 LEU 20 HD22 LEU 20 -3.665 0.863 -3.713
161 HD23 LEU 20 HD23 LEU 20 -2.206 0.680 -4.679
162 H GLN 21 HN GLN 21 -0.708 5.103 -1.828
163 HA GLN 21 HA GLN 21 1.741 4.118 -2.809
164 HB2 GLN 21 HB2 GLN 21 1.015 6.980 -2.145
165 HB3 GLN 21 HB1 GLN 21 2.330 6.463 -3.190
166 HG2 GLN 21 HG2 GLN 21 -0.607 6.050 -3.694
167 HG3 GLN 21 HG1 GLN 21 0.436 7.227 -4.489
168 HE21 GLN 21 HE21 GLN 21 -1.145 5.063 -5.625
169 HE22 GLN 21 HE22 GLN 21 -0.035 4.057 -6.492
170 H ARG 22 HN ARG 22 0.961 6.048 0.033
171 HA ARG 22 HA ARG 22 3.419 6.306 1.253
172 HB2 ARG 22 HB2 ARG 22 1.560 7.445 2.163
173 HB3 ARG 22 HB1 ARG 22 0.625 5.973 2.302
174 HG2 ARG 22 HG2 ARG 22 2.160 5.227 4.099
175 HG3 ARG 22 HG1 ARG 22 2.948 6.809 4.013
176 HD2 ARG 22 HD2 ARG 22 0.884 7.916 4.567
177 HD3 ARG 22 HD1 ARG 22 0.004 6.392 4.506
178 HE ARG 22 HE ARG 22 2.054 6.176 6.407
179 HH11 ARG 22 HH11 ARG 22 -1.352 7.967 7.572
180 HH12 ARG 22 HH12 ARG 22 -0.979 7.829 5.883
181 HH21 ARG 22 HH21 ARG 22 1.572 6.359 8.652
182 HH22 ARG 22 HH22 ARG 22 0.101 7.136 9.146
183 H HIS 23 HN HIS 23 1.035 3.721 1.835
184 HA HIS 23 HA HIS 23 2.647 2.133 3.467
185 HB2 HIS 23 HB2 HIS 23 0.356 1.602 3.488
186 HB3 HIS 23 HB1 HIS 23 0.258 1.554 1.730
187 HD1 HIS 23 HD1 HIS 23 1.266 -0.573 4.692
188 HD2 HIS 23 HD2 HIS 23 1.006 -0.814 0.533
189 HE1 HIS 23 HE1 HIS 23 1.765 -2.991 4.064
190 H LYS 24 HN LYS 24 2.244 2.169 -0.038
191 HA LYS 24 HA LYS 24 3.651 -0.137 -0.688
192 HB2 LYS 24 HB2 LYS 24 2.306 1.244 -2.266
193 HB3 LYS 24 HB1 LYS 24 3.599 2.431 -2.280
194 HG2 LYS 24 HG2 LYS 24 3.873 1.156 -4.227
195 HG3 LYS 24 HG1 LYS 24 5.109 0.583 -3.106
196 HD2 LYS 24 HD2 LYS 24 4.129 -1.336 -4.134
197 HD3 LYS 24 HD1 LYS 24 3.548 -1.269 -2.470
198 HE2 LYS 24 HE2 LYS 24 1.439 -0.337 -3.193
199 HE3 LYS 24 HE1 LYS 24 2.016 -0.233 -4.855
200 HZ1 LYS 24 HZ1 LYS 24 2.175 -2.640 -4.912
201 HZ2 LYS 24 HZ2 LYS 24 0.600 -2.156 -4.531
202 HZ3 LYS 24 HZ3 LYS 24 1.622 -2.739 -3.316
203 H ARG 25 HN ARG 25 4.819 2.971 0.346
204 HA ARG 25 HA ARG 25 7.460 2.813 -0.600
205 HB2 ARG 25 HB2 ARG 25 6.458 4.168 1.904
206 HB3 ARG 25 HB1 ARG 25 8.018 4.452 1.145
207 HG2 ARG 25 HG2 ARG 25 6.831 5.232 -0.882
208 HG3 ARG 25 HG1 ARG 25 5.308 5.065 -0.011
209 HD2 ARG 25 HD2 ARG 25 7.613 6.849 0.765
210 HD3 ARG 25 HD1 ARG 25 6.113 7.376 0.011
211 HE ARG 25 HE ARG 25 6.067 6.049 2.640
212 HH11 ARG 25 HH11 ARG 25 5.310 8.795 0.597
213 HH12 ARG 25 HH12 ARG 25 4.516 9.676 1.863
214 HH21 ARG 25 HH21 ARG 25 4.344 8.779 3.964
215 HH22 ARG 25 HH22 ARG 25 5.027 7.217 4.304
216 H THR 26 HN THR 26 5.908 0.995 1.844
217 HA THR 26 HA THR 26 8.263 0.408 3.364
218 HB THR 26 HB THR 26 6.947 -1.382 4.411
219 HG1 THR 26 HG1 THR 26 4.780 -0.588 2.740
220 HG21 THR 26 HG21 THR 26 5.400 1.197 4.126
221 HG22 THR 26 HG22 THR 26 6.726 0.911 5.252
222 HG23 THR 26 HG23 THR 26 5.215 0.019 5.423
223 H HIS 27 HN HIS 27 6.725 -0.932 0.522
224 HA HIS 27 HA HIS 27 8.502 -3.246 0.542
225 HB2 HIS 27 HB2 HIS 27 6.537 -2.441 -1.607
226 HB3 HIS 27 HB1 HIS 27 7.341 -3.993 -1.445
227 HD1 HIS 27 HD1 HIS 27 6.602 -5.214 1.084
228 HD2 HIS 27 HD2 HIS 27 4.047 -2.509 -0.798
229 HE1 HIS 27 HE1 HIS 27 4.260 -5.661 1.993
230 H THR 28 HN THR 28 7.772 -0.457 -1.516
231 HA THR 28 HA THR 28 10.445 -0.732 -2.713
232 HB THR 28 HB THR 28 9.429 0.248 -4.800
233 HG1 THR 28 HG1 THR 28 7.489 1.009 -3.700
234 HG21 THR 28 HG21 THR 28 8.352 -2.419 -3.865
235 HG22 THR 28 HG22 THR 28 9.904 -2.139 -4.656
236 HG23 THR 28 HG23 THR 28 8.403 -1.872 -5.542
237 H GLY 29 HN GLY 29 10.730 0.757 -0.728
238 HA2 GLY 29 HA2 GLY 29 10.737 3.493 -1.783
239 HA3 GLY 29 HA1 GLY 29 10.003 3.218 -0.209
240 H GLU 30 HN GLU 30 12.713 1.372 -1.310
241 HA GLU 30 HA GLU 30 14.237 1.929 1.002
242 HB2 GLU 30 HB2 GLU 30 14.379 -0.162 -0.356
243 HB3 GLU 30 HB1 GLU 30 15.179 0.756 -1.624
244 HG2 GLU 30 HG2 GLU 30 16.774 -0.495 -0.294
245 HG3 GLU 30 HG1 GLU 30 17.029 1.242 -0.127
246 H LYS 31 HN LYS 31 14.234 3.243 -2.248
247 HA LYS 31 HA LYS 31 15.720 5.535 -1.303
248 HB2 LYS 31 HB2 LYS 31 17.415 3.849 -2.171
249 HB3 LYS 31 HB1 LYS 31 16.691 4.063 -3.758
250 HG2 LYS 31 HG2 LYS 31 18.681 5.423 -3.548
251 HG3 LYS 31 HG1 LYS 31 17.253 6.452 -3.680
252 HD2 LYS 31 HD2 LYS 31 17.251 6.797 -1.276
253 HD3 LYS 31 HD1 LYS 31 18.626 5.708 -1.099
254 HE2 LYS 31 HE2 LYS 31 20.009 7.225 -2.412
255 HE3 LYS 31 HE1 LYS 31 18.633 8.301 -2.642
256 HZ1 LYS 31 HZ1 LYS 31 20.081 9.087 -0.879
257 HZ2 LYS 31 HZ2 LYS 31 19.886 7.635 -0.033
258 HZ3 LYS 31 HZ3 LYS 31 18.567 8.666 -0.252
259 HN1 NH2 32 HN1 NH2 32 13.780 6.596 -1.649
260 HN2 NH2 32 HN2 NH2 32 13.154 6.918 -3.231
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 -14.022 4.759 -3.407
2 H2 ARG 1 HT2 ARG 1 -13.948 5.680 -4.825
3 H3 ARG 1 HT3 ARG 1 -12.730 5.816 -3.663
4 HA ARG 1 HA ARG 1 -13.329 3.401 -5.262
5 HB2 ARG 1 HB2 ARG 1 -11.037 5.372 -5.375
6 HB3 ARG 1 HB1 ARG 1 -11.055 3.834 -6.222
7 HG2 ARG 1 HG2 ARG 1 -13.005 4.569 -7.507
8 HG3 ARG 1 HG1 ARG 1 -12.968 6.119 -6.661
9 HD2 ARG 1 HD2 ARG 1 -10.804 4.986 -8.433
10 HD3 ARG 1 HD1 ARG 1 -11.888 6.319 -8.829
11 HE ARG 1 HE ARG 1 -10.714 7.225 -6.602
12 HH11 ARG 1 HH11 ARG 1 -7.856 6.628 -9.357
13 HH12 ARG 1 HH12 ARG 1 -9.365 5.788 -9.493
14 HH21 ARG 1 HH21 ARG 1 -7.494 8.073 -7.607
15 HH22 ARG 1 HH22 ARG 1 -8.727 8.318 -6.408
16 HA PRO 2 HA PRO 2 -10.986 1.549 -1.927
17 HB2 PRO 2 HB2 PRO 2 -11.220 -1.012 -2.660
18 HB3 PRO 2 HB1 PRO 2 -12.609 -0.105 -2.040
19 HG2 PRO 2 HG2 PRO 2 -11.930 -0.861 -4.838
20 HG3 PRO 2 HG1 PRO 2 -13.514 -0.748 -4.063
21 HD2 PRO 2 HD2 PRO 2 -12.341 1.190 -5.715
22 HD3 PRO 2 HD1 PRO 2 -13.736 1.437 -4.648
23 H PHE 3 HN PHE 3 -8.878 1.003 -1.654
24 HA PHE 3 HA PHE 3 -7.318 0.353 -4.070
25 HB2 PHE 3 HB2 PHE 3 -6.507 2.083 -1.721
26 HB3 PHE 3 HB1 PHE 3 -5.431 1.589 -3.019
27 HD1 PHE 3 HD1 PHE 3 -5.708 2.491 -5.282
28 HD2 PHE 3 HD2 PHE 3 -8.150 3.784 -2.046
29 HE1 PHE 3 HE1 PHE 3 -6.398 4.458 -6.591
30 HE2 PHE 3 HE2 PHE 3 -8.851 5.744 -3.352
31 HZ PHE 3 HZ PHE 3 -8.012 6.037 -5.680
32 H NLE 4 HN NLE 4 -5.778 -1.251 -3.857
33 HA NLE 4 HA NLE 4 -5.455 -2.488 -1.230
34 HB2 NLE 4 HB1 NLE 4 -6.379 -3.992 -3.687
35 HB3 NLE 4 HB2 NLE 4 -7.377 -3.607 -2.292
36 HG2 NLE 4 HG1 NLE 4 -5.868 -4.981 -0.888
37 HG3 NLE 4 HG2 NLE 4 -4.985 -5.432 -2.349
38 HD2 NLE 4 HD1 NLE 4 -7.016 -6.424 -3.282
39 HD3 NLE 4 HD2 NLE 4 -7.914 -5.961 -1.827
40 HE1 NLE 4 HE1 NLE 4 -6.414 -7.356 -0.476
41 HE2 NLE 4 HE2 NLE 4 -5.557 -7.840 -1.941
42 HE3 NLE 4 HE3 NLE 4 -7.245 -8.299 -1.714
43 H CYS 5 HN CYS 5 -3.474 -3.188 -0.886
44 HA CYS 5 HA CYS 5 -1.487 -2.974 -2.965
45 HB2 CYS 5 HB2 CYS 5 -0.881 -2.211 -0.756
46 HB3 CYS 5 HB1 CYS 5 -1.304 -3.769 -0.057
47 H THR 6 HN THR 6 -1.287 -4.563 -4.383
48 HA THR 6 HA THR 6 -1.940 -7.299 -3.572
49 HB THR 6 HB THR 6 -3.122 -6.429 -5.539
50 HG1 THR 6 HG1 THR 6 -1.413 -8.630 -5.691
51 HG21 THR 6 HG21 THR 6 -1.888 -6.049 -7.652
52 HG22 THR 6 HG22 THR 6 -0.374 -6.184 -6.758
53 HG23 THR 6 HG23 THR 6 -1.493 -4.870 -6.402
54 H TRP 7 HN TRP 7 0.576 -5.932 -2.875
55 HA TRP 7 HA TRP 7 2.679 -7.068 -4.434
56 HB2 TRP 7 HB2 TRP 7 2.871 -5.035 -2.933
57 HB3 TRP 7 HB1 TRP 7 2.834 -6.137 -1.566
58 HD1 TRP 7 HD1 TRP 7 5.077 -4.964 -4.400
59 HE1 TRP 7 HE1 TRP 7 7.487 -5.753 -3.954
60 HE3 TRP 7 HE3 TRP 7 4.196 -8.025 -0.407
61 HZ2 TRP 7 HZ2 TRP 7 8.827 -7.453 -2.146
62 HZ3 TRP 7 HZ3 TRP 7 6.099 -9.190 0.621
63 HH2 TRP 7 HH2 TRP 7 8.364 -8.914 -0.230
64 H NVA 8 HN NVX 8 2.732 -9.257 -4.592
65 HA NVA 8 HA NVX 8 2.862 -11.446 -4.024
66 HB2 NVA 8 HB1 NVX 8 4.208 -10.028 -1.761
67 HB3 NVA 8 HB2 NVX 8 4.911 -11.034 -3.017
68 HG2 NVA 8 HG1 NVX 8 5.029 -12.113 -0.845
69 HG3 NVA 8 HG2 NVX 8 3.986 -13.019 -1.950
70 HD1 NVA 8 HD NVX 8 3.159 -11.152 0.241
71 HA CYS 9 HA CYX 9 -0.381 -12.068 -0.867
72 HB2 CYS 9 HB2 CYX 9 0.403 -13.403 1.338
73 HB3 CYS 9 HB1 CYX 9 0.490 -14.130 -0.275
74 H CYS 10 HN CYS 10 0.957 -9.481 -0.397
75 HA CYS 10 HA CYS 10 0.871 -8.845 2.365
76 HB2 CYS 10 HB2 CYS 10 2.109 -7.510 0.693
77 HB3 CYS 10 HB1 CYS 10 0.587 -7.024 -0.035
78 H GLY 11 HN GLY 11 -1.339 -7.766 -0.224
79 HA2 GLY 11 HA2 GLY 11 -3.593 -7.396 -0.238
80 HA3 GLY 11 HA1 GLY 11 -3.691 -8.712 0.916
81 H LYS 12 HN LYS 12 -2.752 -5.273 0.844
82 HA LYS 12 HA LYS 12 -4.320 -4.941 3.315
83 HB2 LYS 12 HB2 LYS 12 -1.796 -4.599 3.507
84 HB3 LYS 12 HB1 LYS 12 -2.011 -3.177 2.495
85 HG2 LYS 12 HG2 LYS 12 -3.332 -2.095 4.120
86 HG3 LYS 12 HG1 LYS 12 -3.501 -3.577 5.072
87 HD2 LYS 12 HD2 LYS 12 -1.065 -3.536 5.495
88 HD3 LYS 12 HD1 LYS 12 -0.962 -2.004 4.625
89 HE2 LYS 12 HE2 LYS 12 -1.040 -1.605 7.014
90 HE3 LYS 12 HE1 LYS 12 -2.507 -0.996 6.250
91 HZ1 LYS 12 HZ1 LYS 12 -2.264 -3.588 7.678
92 HZ2 LYS 12 HZ2 LYS 12 -3.672 -2.981 6.969
93 HZ3 LYS 12 HZ3 LYS 12 -2.987 -2.190 8.297
94 H ARG 13 HN ARG 13 -5.836 -3.319 3.348
95 HA ARG 13 HA ARG 13 -6.352 -2.143 0.701
96 HB2 ARG 13 HB2 ARG 13 -8.328 -2.939 2.839
97 HB3 ARG 13 HB1 ARG 13 -8.736 -2.255 1.270
98 HG2 ARG 13 HG2 ARG 13 -7.811 -4.197 0.154
99 HG3 ARG 13 HG1 ARG 13 -7.318 -4.872 1.708
100 HD2 ARG 13 HD2 ARG 13 -9.686 -4.935 2.396
101 HD3 ARG 13 HD1 ARG 13 -10.142 -4.328 0.803
102 HE ARG 13 HE ARG 13 -8.583 -6.786 0.881
103 HH11 ARG 13 HH11 ARG 13 -11.719 -5.278 0.579
104 HH12 ARG 13 HH12 ARG 13 -12.460 -6.665 -0.151
105 HH21 ARG 13 HH21 ARG 13 -9.548 -8.622 -0.081
106 HH22 ARG 13 HH22 ARG 13 -11.222 -8.573 -0.529
107 H PHE 14 HN PHE 14 -7.046 -0.076 0.491
108 HA PHE 14 HA PHE 14 -7.164 1.648 2.869
109 HB2 PHE 14 HB2 PHE 14 -5.622 2.401 0.376
110 HB3 PHE 14 HB1 PHE 14 -5.655 3.254 1.914
111 HD1 PHE 14 HD1 PHE 14 -4.179 0.561 0.011
112 HD2 PHE 14 HD2 PHE 14 -4.478 2.348 3.856
113 HE1 PHE 14 HE1 PHE 14 -2.165 -0.653 0.727
114 HE2 PHE 14 HE2 PHE 14 -2.466 1.134 4.583
115 HZ PHE 14 HZ PHE 14 -1.341 -0.420 3.008
116 H THR 15 HN THR 15 -8.240 3.702 2.413
117 HA THR 15 HA THR 15 -10.171 3.456 0.216
118 HB THR 15 HB THR 15 -10.264 5.450 2.490
119 HG1 THR 15 HG1 THR 15 -10.511 3.672 3.659
120 HG21 THR 15 HG21 THR 15 -12.658 5.491 1.995
121 HG22 THR 15 HG22 THR 15 -12.429 4.293 0.723
122 HG23 THR 15 HG23 THR 15 -11.724 5.900 0.555
123 H ARG 16 HN ARG 16 -7.357 5.103 1.134
124 HA ARG 16 HA ARG 16 -7.790 7.095 -0.987
125 HB2 ARG 16 HB2 ARG 16 -6.313 7.362 1.628
126 HB3 ARG 16 HB1 ARG 16 -6.042 8.464 0.289
127 HG2 ARG 16 HG2 ARG 16 -8.646 7.998 1.714
128 HG3 ARG 16 HG1 ARG 16 -7.602 9.415 1.861
129 HD2 ARG 16 HD2 ARG 16 -9.195 8.516 -0.531
130 HD3 ARG 16 HD1 ARG 16 -9.349 10.017 0.375
131 HE ARG 16 HE ARG 16 -6.780 10.039 -0.591
132 HH11 ARG 16 HH11 ARG 16 -9.495 10.585 -3.505
133 HH12 ARG 16 HH12 ARG 16 -9.999 9.921 -1.983
134 HH21 ARG 16 HH21 ARG 16 -7.282 11.161 -3.832
135 HH22 ARG 16 HH22 ARG 16 -6.120 10.898 -2.563
136 H SER 17 HN SER 17 -6.333 7.246 -2.557
137 HA SER 17 HA SER 17 -4.490 5.162 -3.016
138 HB2 SER 17 HB2 SER 17 -3.752 6.804 -4.891
139 HB3 SER 17 HB1 SER 17 -5.395 6.163 -4.940
140 HG SER 17 HG SER 17 -4.923 8.593 -5.128
141 H ASP 18 HN ASP 18 -4.227 8.401 -1.757
142 HA ASP 18 HA ASP 18 -1.459 8.749 -1.738
143 HB2 ASP 18 HB2 ASP 18 -3.189 9.687 0.536
144 HB3 ASP 18 HB1 ASP 18 -1.842 10.509 -0.236
145 H GLU 19 HN GLU 19 -3.590 7.012 0.407
146 HA GLU 19 HA GLU 19 -1.646 6.563 2.457
147 HB2 GLU 19 HB2 GLU 19 -4.202 6.648 2.691
148 HB3 GLU 19 HB1 GLU 19 -4.199 5.019 2.034
149 HG2 GLU 19 HG2 GLU 19 -2.903 4.216 3.878
150 HG3 GLU 19 HG1 GLU 19 -2.710 5.852 4.507
151 H LEU 20 HN LEU 20 -3.022 4.729 -0.221
152 HA LEU 20 HA LEU 20 -1.601 2.337 0.135
153 HB2 LEU 20 HB2 LEU 20 -3.402 2.406 -1.434
154 HB3 LEU 20 HB1 LEU 20 -2.639 3.693 -2.348
155 HG LEU 20 HG LEU 20 -0.838 2.120 -3.009
156 HD11 LEU 20 HD11 LEU 20 -1.157 -0.277 -2.657
157 HD12 LEU 20 HD12 LEU 20 -2.556 0.061 -1.639
158 HD13 LEU 20 HD13 LEU 20 -0.948 0.587 -1.135
159 HD21 LEU 20 HD21 LEU 20 -2.798 2.499 -4.445
160 HD22 LEU 20 HD22 LEU 20 -3.602 1.132 -3.674
161 HD23 LEU 20 HD23 LEU 20 -2.137 0.875 -4.616
162 H GLN 21 HN GLN 21 -0.760 5.298 -1.631
163 HA GLN 21 HA GLN 21 1.716 4.455 -2.624
164 HB2 GLN 21 HB2 GLN 21 0.752 7.208 -1.838
165 HB3 GLN 21 HB1 GLN 21 2.274 6.911 -2.667
166 HG2 GLN 21 HG2 GLN 21 1.106 5.982 -4.563
167 HG3 GLN 21 HG1 GLN 21 -0.437 6.149 -3.727
168 HE21 GLN 21 HE21 GLN 21 -1.272 7.460 -5.343
169 HE22 GLN 21 HE22 GLN 21 -0.770 9.106 -5.547
170 H ARG 22 HN ARG 22 0.898 6.097 0.419
171 HA ARG 22 HA ARG 22 3.450 6.286 1.517
172 HB2 ARG 22 HB2 ARG 22 1.526 7.341 2.570
173 HB3 ARG 22 HB1 ARG 22 0.809 5.775 2.897
174 HG2 ARG 22 HG2 ARG 22 2.718 5.250 4.375
175 HG3 ARG 22 HG1 ARG 22 3.325 6.887 4.114
176 HD2 ARG 22 HD2 ARG 22 1.328 7.826 5.096
177 HD3 ARG 22 HD1 ARG 22 0.609 6.225 5.245
178 HE ARG 22 HE ARG 22 3.117 6.448 6.616
179 HH11 ARG 22 HH11 ARG 22 -0.321 7.053 8.596
180 HH12 ARG 22 HH12 ARG 22 -0.301 7.136 6.864
181 HH21 ARG 22 HH21 ARG 22 3.105 6.342 8.885
182 HH22 ARG 22 HH22 ARG 22 1.626 6.605 9.755
183 H HIS 23 HN HIS 23 1.074 3.666 1.822
184 HA HIS 23 HA HIS 23 2.663 1.937 3.355
185 HB2 HIS 23 HB2 HIS 23 0.325 1.503 3.250
186 HB3 HIS 23 HB1 HIS 23 0.342 1.448 1.490
187 HD1 HIS 23 HD1 HIS 23 1.191 -0.667 4.519
188 HD2 HIS 23 HD2 HIS 23 1.131 -0.933 0.354
189 HE1 HIS 23 HE1 HIS 23 1.651 -3.105 3.933
190 H LYS 24 HN LYS 24 2.233 2.215 -0.134
191 HA LYS 24 HA LYS 24 3.630 0.027 -1.042
192 HB2 LYS 24 HB2 LYS 24 2.373 1.556 -2.478
193 HB3 LYS 24 HB1 LYS 24 3.563 2.818 -2.201
194 HG2 LYS 24 HG2 LYS 24 3.986 1.933 -4.336
195 HG3 LYS 24 HG1 LYS 24 5.256 1.315 -3.281
196 HD2 LYS 24 HD2 LYS 24 4.156 -0.821 -3.123
197 HD3 LYS 24 HD1 LYS 24 2.758 -0.210 -4.010
198 HE2 LYS 24 HE2 LYS 24 4.173 0.144 -5.985
199 HE3 LYS 24 HE1 LYS 24 5.563 -0.481 -5.098
200 HZ1 LYS 24 HZ1 LYS 24 3.097 -2.010 -5.727
201 HZ2 LYS 24 HZ2 LYS 24 4.459 -2.608 -4.922
202 HZ3 LYS 24 HZ3 LYS 24 4.573 -2.147 -6.540
203 H ARG 25 HN ARG 25 4.881 3.025 0.262
204 HA ARG 25 HA ARG 25 7.524 2.815 -0.685
205 HB2 ARG 25 HB2 ARG 25 6.455 4.198 1.770
206 HB3 ARG 25 HB1 ARG 25 8.086 4.398 1.147
207 HG2 ARG 25 HG2 ARG 25 7.189 5.299 -0.936
208 HG3 ARG 25 HG1 ARG 25 5.550 5.096 -0.320
209 HD2 ARG 25 HD2 ARG 25 6.257 7.394 -0.058
210 HD3 ARG 25 HD1 ARG 25 6.069 6.636 1.520
211 HE ARG 25 HE ARG 25 8.749 6.423 0.661
212 HH11 ARG 25 HH11 ARG 25 6.445 8.750 1.887
213 HH12 ARG 25 HH12 ARG 25 7.662 9.778 2.579
214 HH21 ARG 25 HH21 ARG 25 9.880 9.232 2.390
215 HH22 ARG 25 HH22 ARG 25 10.353 7.781 1.560
216 H THR 26 HN THR 26 5.923 0.944 1.673
217 HA THR 26 HA THR 26 8.225 0.345 3.272
218 HB THR 26 HB THR 26 6.895 -1.507 4.201
219 HG1 THR 26 HG1 THR 26 4.737 -0.689 2.542
220 HG21 THR 26 HG21 THR 26 5.336 1.066 3.951
221 HG22 THR 26 HG22 THR 26 6.601 0.733 5.134
222 HG23 THR 26 HG23 THR 26 5.088 -0.172 5.181
223 H HIS 27 HN HIS 27 6.651 -1.147 0.474
224 HA HIS 27 HA HIS 27 8.536 -3.346 0.450
225 HB2 HIS 27 HB2 HIS 27 6.594 -2.563 -1.730
226 HB3 HIS 27 HB1 HIS 27 7.403 -4.109 -1.540
227 HD1 HIS 27 HD1 HIS 27 6.652 -5.321 0.970
228 HD2 HIS 27 HD2 HIS 27 4.087 -2.625 -0.915
229 HE1 HIS 27 HE1 HIS 27 4.313 -5.771 1.886
230 H THR 28 HN THR 28 7.990 -0.326 -1.239
231 HA THR 28 HA THR 28 10.741 -0.279 -2.088
232 HB THR 28 HB THR 28 9.779 -1.486 -3.963
233 HG1 THR 28 HG1 THR 28 11.373 0.103 -4.430
234 HG21 THR 28 HG21 THR 28 7.447 -0.804 -3.770
235 HG22 THR 28 HG22 THR 28 8.049 -0.476 -5.395
236 HG23 THR 28 HG23 THR 28 7.874 0.843 -4.237
237 H GLY 29 HN GLY 29 11.455 1.721 -1.757
238 HA2 GLY 29 HA2 GLY 29 9.669 3.979 -2.285
239 HA3 GLY 29 HA1 GLY 29 10.352 3.832 -0.673
240 H GLU 30 HN GLU 30 12.889 3.018 -1.155
241 HA GLU 30 HA GLU 30 14.072 5.437 -2.218
242 HB2 GLU 30 HB2 GLU 30 15.334 2.986 -0.960
243 HB3 GLU 30 HB1 GLU 30 16.195 4.459 -1.383
244 HG2 GLU 30 HG2 GLU 30 13.978 4.230 0.643
245 HG3 GLU 30 HG1 GLU 30 15.698 4.361 0.996
246 H LYS 31 HN LYS 31 13.023 4.654 -4.328
247 HA LYS 31 HA LYS 31 14.965 3.024 -5.824
248 HB2 LYS 31 HB2 LYS 31 12.791 1.848 -5.408
249 HB3 LYS 31 HB1 LYS 31 11.974 3.136 -6.279
250 HG2 LYS 31 HG2 LYS 31 12.246 1.243 -7.728
251 HG3 LYS 31 HG1 LYS 31 13.279 2.557 -8.294
252 HD2 LYS 31 HD2 LYS 31 15.216 1.517 -7.289
253 HD3 LYS 31 HD1 LYS 31 14.209 0.246 -6.591
254 HE2 LYS 31 HE2 LYS 31 15.338 -0.555 -8.592
255 HE3 LYS 31 HE1 LYS 31 13.595 -0.497 -8.843
256 HZ1 LYS 31 HZ1 LYS 31 15.556 1.515 -9.796
257 HZ2 LYS 31 HZ2 LYS 31 13.883 1.603 -10.018
258 HZ3 LYS 31 HZ3 LYS 31 14.767 0.366 -10.751
259 HN1 NH2 32 HN1 NH2 32 12.132 4.967 -6.687
260 HN2 NH2 32 HN2 NH2 32 12.974 6.042 -7.753
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 -13.700 3.142 -3.298
2 H2 ARG 1 HT2 ARG 1 -13.878 3.745 -4.864
3 H3 ARG 1 HT3 ARG 1 -12.514 4.153 -3.952
4 HA ARG 1 HA ARG 1 -13.210 1.453 -4.932
5 HB2 ARG 1 HB2 ARG 1 -11.015 3.371 -5.746
6 HB3 ARG 1 HB1 ARG 1 -11.155 1.709 -6.302
7 HG2 ARG 1 HG2 ARG 1 -13.262 2.224 -7.383
8 HG3 ARG 1 HG1 ARG 1 -13.185 3.879 -6.787
9 HD2 ARG 1 HD2 ARG 1 -11.095 4.203 -8.054
10 HD3 ARG 1 HD1 ARG 1 -11.249 2.564 -8.690
11 HE ARG 1 HE ARG 1 -13.590 3.635 -9.408
12 HH11 ARG 1 HH11 ARG 1 -10.670 5.778 -11.146
13 HH12 ARG 1 HH12 ARG 1 -10.323 4.871 -9.708
14 HH21 ARG 1 HH21 ARG 1 -12.775 5.756 -12.042
15 HH22 ARG 1 HH22 ARG 1 -14.039 4.838 -11.287
16 HA PRO 2 HA PRO 2 -10.646 0.230 -1.463
17 HB2 PRO 2 HB2 PRO 2 -10.542 -2.379 -2.815
18 HB3 PRO 2 HB1 PRO 2 -11.174 -1.970 -1.215
19 HG2 PRO 2 HG2 PRO 2 -12.794 -2.633 -3.263
20 HG3 PRO 2 HG1 PRO 2 -13.268 -1.454 -2.032
21 HD2 PRO 2 HD2 PRO 2 -12.281 -0.989 -4.817
22 HD3 PRO 2 HD1 PRO 2 -13.559 -0.144 -3.916
23 H PHE 3 HN PHE 3 -8.681 1.178 -1.753
24 HA PHE 3 HA PHE 3 -6.959 0.456 -3.948
25 HB2 PHE 3 HB2 PHE 3 -6.493 2.147 -1.488
26 HB3 PHE 3 HB1 PHE 3 -5.303 1.912 -2.755
27 HD1 PHE 3 HD1 PHE 3 -5.814 2.722 -5.073
28 HD2 PHE 3 HD2 PHE 3 -8.210 3.721 -1.704
29 HE1 PHE 3 HE1 PHE 3 -6.782 4.602 -6.325
30 HE2 PHE 3 HE2 PHE 3 -9.186 5.602 -2.950
31 HZ PHE 3 HZ PHE 3 -8.463 6.029 -5.294
32 H NLE 4 HN NLE 4 -6.267 -1.576 -3.898
33 HA NLE 4 HA NLE 4 -5.587 -2.791 -1.317
34 HB2 NLE 4 HB1 NLE 4 -6.173 -4.060 -4.000
35 HB3 NLE 4 HB2 NLE 4 -7.322 -3.889 -2.683
36 HG2 NLE 4 HG1 NLE 4 -6.085 -5.420 -1.317
37 HG3 NLE 4 HG2 NLE 4 -4.774 -5.476 -2.497
38 HD2 NLE 4 HD1 NLE 4 -6.220 -7.459 -2.645
39 HD3 NLE 4 HD2 NLE 4 -6.271 -6.503 -4.132
40 HE1 NLE 4 HE1 NLE 4 -8.312 -6.401 -1.913
41 HE2 NLE 4 HE2 NLE 4 -8.508 -7.244 -3.450
42 HE3 NLE 4 HE3 NLE 4 -8.368 -5.486 -3.420
43 H CYS 5 HN CYS 5 -3.543 -3.286 -0.832
44 HA CYS 5 HA CYS 5 -1.453 -2.937 -2.783
45 HB2 CYS 5 HB2 CYS 5 -1.023 -2.321 -0.460
46 HB3 CYS 5 HB1 CYS 5 -1.328 -3.977 0.054
47 H THR 6 HN THR 6 -1.256 -4.408 -4.308
48 HA THR 6 HA THR 6 -1.926 -7.188 -3.766
49 HB THR 6 HB THR 6 -2.897 -6.106 -5.751
50 HG1 THR 6 HG1 THR 6 -1.070 -8.246 -6.167
51 HG21 THR 6 HG21 THR 6 -0.049 -5.924 -6.739
52 HG22 THR 6 HG22 THR 6 -1.073 -4.565 -6.276
53 HG23 THR 6 HG23 THR 6 -1.495 -5.547 -7.676
54 H TRP 7 HN TRP 7 0.641 -5.690 -2.973
55 HA TRP 7 HA TRP 7 2.782 -6.859 -4.412
56 HB2 TRP 7 HB2 TRP 7 2.931 -4.832 -2.923
57 HB3 TRP 7 HB1 TRP 7 2.799 -5.910 -1.541
58 HD1 TRP 7 HD1 TRP 7 5.231 -4.728 -4.195
59 HE1 TRP 7 HE1 TRP 7 7.595 -5.560 -3.612
60 HE3 TRP 7 HE3 TRP 7 4.056 -7.872 -0.341
61 HZ2 TRP 7 HZ2 TRP 7 8.799 -7.314 -1.757
62 HZ3 TRP 7 HZ3 TRP 7 5.874 -9.085 0.784
63 HH2 TRP 7 HH2 TRP 7 8.193 -8.812 0.090
64 H NVA 8 HN NVX 8 2.861 -9.035 -4.584
65 HA NVA 8 HA NVX 8 2.949 -11.231 -4.047
66 HB2 NVA 8 HB1 NVX 8 4.231 -9.871 -1.714
67 HB3 NVA 8 HB2 NVX 8 4.963 -10.875 -2.956
68 HG2 NVA 8 HG1 NVX 8 4.984 -11.984 -0.798
69 HG3 NVA 8 HG2 NVX 8 3.961 -12.858 -1.951
70 HD1 NVA 8 HD NVX 8 3.094 -10.982 0.218
71 HA CYS 9 HA CYX 9 -0.418 -11.855 -1.021
72 HB2 CYS 9 HB2 CYX 9 0.226 -13.332 1.104
73 HB3 CYS 9 HB1 CYX 9 0.483 -13.955 -0.537
74 H CYS 10 HN CYS 10 0.922 -9.317 -0.419
75 HA CYS 10 HA CYS 10 0.902 -8.780 2.347
76 HB2 CYS 10 HB2 CYS 10 1.989 -7.366 0.606
77 HB3 CYS 10 HB1 CYS 10 0.397 -6.850 0.077
78 H GLY 11 HN GLY 11 -1.497 -7.821 -0.123
79 HA2 GLY 11 HA2 GLY 11 -3.773 -7.618 -0.019
80 HA3 GLY 11 HA1 GLY 11 -3.712 -8.875 1.203
81 H LYS 12 HN LYS 12 -3.139 -5.389 0.833
82 HA LYS 12 HA LYS 12 -4.612 -5.003 3.339
83 HB2 LYS 12 HB2 LYS 12 -2.134 -4.792 3.704
84 HB3 LYS 12 HB1 LYS 12 -2.135 -3.446 2.574
85 HG2 LYS 12 HG2 LYS 12 -3.464 -2.119 4.022
86 HG3 LYS 12 HG1 LYS 12 -3.792 -3.498 5.080
87 HD2 LYS 12 HD2 LYS 12 -1.495 -3.598 5.759
88 HD3 LYS 12 HD1 LYS 12 -1.046 -2.355 4.593
89 HE2 LYS 12 HE2 LYS 12 -1.191 -1.425 6.834
90 HE3 LYS 12 HE1 LYS 12 -2.434 -0.737 5.795
91 HZ1 LYS 12 HZ1 LYS 12 -2.844 -2.911 7.769
92 HZ2 LYS 12 HZ2 LYS 12 -4.040 -2.241 6.779
93 HZ3 LYS 12 HZ3 LYS 12 -3.305 -1.296 7.968
94 H ARG 13 HN ARG 13 -6.184 -3.531 3.186
95 HA ARG 13 HA ARG 13 -6.424 -2.160 0.602
96 HB2 ARG 13 HB2 ARG 13 -8.548 -2.951 2.599
97 HB3 ARG 13 HB1 ARG 13 -8.856 -2.086 1.099
98 HG2 ARG 13 HG2 ARG 13 -8.014 -3.984 -0.177
99 HG3 ARG 13 HG1 ARG 13 -7.679 -4.845 1.325
100 HD2 ARG 13 HD2 ARG 13 -10.053 -4.813 1.884
101 HD3 ARG 13 HD1 ARG 13 -10.398 -3.914 0.408
102 HE ARG 13 HE ARG 13 -9.072 -6.477 0.072
103 HH11 ARG 13 HH11 ARG 13 -12.096 -4.713 0.082
104 HH12 ARG 13 HH12 ARG 13 -12.942 -5.902 -0.852
105 HH21 ARG 13 HH21 ARG 13 -10.180 -8.041 -1.172
106 HH22 ARG 13 HH22 ARG 13 -11.848 -7.788 -1.579
107 H PHE 14 HN PHE 14 -6.934 -0.042 0.440
108 HA PHE 14 HA PHE 14 -7.137 1.553 2.904
109 HB2 PHE 14 HB2 PHE 14 -5.532 2.342 0.459
110 HB3 PHE 14 HB1 PHE 14 -5.657 3.234 1.968
111 HD1 PHE 14 HD1 PHE 14 -4.151 0.392 0.271
112 HD2 PHE 14 HD2 PHE 14 -4.464 2.517 3.938
113 HE1 PHE 14 HE1 PHE 14 -2.175 -0.798 1.123
114 HE2 PHE 14 HE2 PHE 14 -2.490 1.336 4.798
115 HZ PHE 14 HZ PHE 14 -1.346 -0.325 3.387
116 H THR 15 HN THR 15 -8.157 3.671 2.517
117 HA THR 15 HA THR 15 -10.093 3.512 0.315
118 HB THR 15 HB THR 15 -11.311 5.295 1.640
119 HG1 THR 15 HG1 THR 15 -9.783 4.484 3.867
120 HG21 THR 15 HG21 THR 15 -10.831 2.623 2.969
121 HG22 THR 15 HG22 THR 15 -12.032 2.970 1.725
122 HG23 THR 15 HG23 THR 15 -12.177 3.704 3.321
123 H ARG 16 HN ARG 16 -7.187 4.847 0.885
124 HA ARG 16 HA ARG 16 -7.724 7.113 -0.901
125 HB2 ARG 16 HB2 ARG 16 -5.954 7.207 1.554
126 HB3 ARG 16 HB1 ARG 16 -6.116 8.494 0.372
127 HG2 ARG 16 HG2 ARG 16 -8.505 8.686 0.957
128 HG3 ARG 16 HG1 ARG 16 -8.264 7.462 2.208
129 HD2 ARG 16 HD2 ARG 16 -8.164 9.698 3.169
130 HD3 ARG 16 HD1 ARG 16 -6.596 8.902 3.282
131 HE ARG 16 HE ARG 16 -7.096 10.715 1.038
132 HH11 ARG 16 HH11 ARG 16 -4.268 11.327 3.828
133 HH12 ARG 16 HH12 ARG 16 -5.421 10.049 4.044
134 HH21 ARG 16 HH21 ARG 16 -4.357 12.654 1.959
135 HH22 ARG 16 HH22 ARG 16 -5.579 12.387 0.754
136 H SER 17 HN SER 17 -6.226 7.417 -2.475
137 HA SER 17 HA SER 17 -4.499 5.241 -3.077
138 HB2 SER 17 HB2 SER 17 -5.648 6.581 -4.820
139 HB3 SER 17 HB1 SER 17 -4.640 7.966 -4.398
140 HG SER 17 HG SER 17 -3.110 5.789 -4.862
141 H ASP 18 HN ASP 18 -4.001 8.452 -1.730
142 HA ASP 18 HA ASP 18 -1.171 8.455 -1.863
143 HB2 ASP 18 HB2 ASP 18 -3.100 9.934 -0.076
144 HB3 ASP 18 HB1 ASP 18 -1.359 10.147 0.032
145 H GLU 19 HN GLU 19 -3.452 7.042 0.328
146 HA GLU 19 HA GLU 19 -1.599 6.544 2.450
147 HB2 GLU 19 HB2 GLU 19 -4.137 6.695 2.657
148 HB3 GLU 19 HB1 GLU 19 -4.198 5.096 1.937
149 HG2 GLU 19 HG2 GLU 19 -4.362 4.877 4.303
150 HG3 GLU 19 HG1 GLU 19 -2.798 4.252 3.784
151 H LEU 20 HN LEU 20 -3.018 4.648 -0.182
152 HA LEU 20 HA LEU 20 -1.610 2.256 0.273
153 HB2 LEU 20 HB2 LEU 20 -3.481 2.258 -1.212
154 HB3 LEU 20 HB1 LEU 20 -2.747 3.476 -2.239
155 HG LEU 20 HG LEU 20 -1.022 1.852 -2.921
156 HD11 LEU 20 HD11 LEU 20 -1.260 -0.500 -2.362
157 HD12 LEU 20 HD12 LEU 20 -2.626 -0.125 -1.313
158 HD13 LEU 20 HD13 LEU 20 -1.014 0.467 -0.908
159 HD21 LEU 20 HD21 LEU 20 -2.413 0.522 -4.354
160 HD22 LEU 20 HD22 LEU 20 -3.128 2.127 -4.199
161 HD23 LEU 20 HD23 LEU 20 -3.803 0.766 -3.302
162 H GLN 21 HN GLN 21 -0.816 5.120 -1.650
163 HA GLN 21 HA GLN 21 1.631 4.235 -2.688
164 HB2 GLN 21 HB2 GLN 21 0.498 6.252 -3.481
165 HB3 GLN 21 HB1 GLN 21 0.754 7.031 -1.927
166 HG2 GLN 21 HG2 GLN 21 2.324 7.885 -3.515
167 HG3 GLN 21 HG1 GLN 21 3.183 6.932 -2.308
168 HE21 GLN 21 HE21 GLN 21 3.920 7.680 -5.043
169 HE22 GLN 21 HE22 GLN 21 4.241 6.192 -5.870
170 H ARG 22 HN ARG 22 0.899 6.043 0.269
171 HA ARG 22 HA ARG 22 3.449 6.283 1.334
172 HB2 ARG 22 HB2 ARG 22 1.511 7.400 2.297
173 HB3 ARG 22 HB1 ARG 22 0.805 5.856 2.732
174 HG2 ARG 22 HG2 ARG 22 2.550 5.462 4.351
175 HG3 ARG 22 HG1 ARG 22 3.366 6.951 3.866
176 HD2 ARG 22 HD2 ARG 22 0.587 6.785 5.031
177 HD3 ARG 22 HD1 ARG 22 2.039 7.236 5.927
178 HE ARG 22 HE ARG 22 2.198 9.137 4.279
179 HH11 ARG 22 HH11 ARG 22 -1.786 9.127 4.771
180 HH12 ARG 22 HH12 ARG 22 -0.894 7.662 5.050
181 HH21 ARG 22 HH21 ARG 22 1.012 11.030 3.872
182 HH22 ARG 22 HH22 ARG 22 -0.710 11.034 4.087
183 H HIS 23 HN HIS 23 1.087 3.686 1.747
184 HA HIS 23 HA HIS 23 2.656 2.058 3.411
185 HB2 HIS 23 HB2 HIS 23 0.338 1.599 3.362
186 HB3 HIS 23 HB1 HIS 23 0.308 1.508 1.605
187 HD1 HIS 23 HD1 HIS 23 1.065 -0.584 4.654
188 HD2 HIS 23 HD2 HIS 23 1.154 -0.877 0.497
189 HE1 HIS 23 HE1 HIS 23 1.543 -3.030 4.099
190 H LYS 24 HN LYS 24 2.243 2.073 -0.124
191 HA LYS 24 HA LYS 24 3.671 -0.264 -0.660
192 HB2 LYS 24 HB2 LYS 24 2.260 0.898 -2.320
193 HB3 LYS 24 HB1 LYS 24 3.459 2.180 -2.420
194 HG2 LYS 24 HG2 LYS 24 5.096 0.623 -3.297
195 HG3 LYS 24 HG1 LYS 24 3.945 -0.705 -3.136
196 HD2 LYS 24 HD2 LYS 24 2.445 0.461 -4.720
197 HD3 LYS 24 HD1 LYS 24 3.674 1.708 -4.926
198 HE2 LYS 24 HE2 LYS 24 4.130 -1.219 -5.491
199 HE3 LYS 24 HE1 LYS 24 3.647 -0.044 -6.714
200 HZ1 LYS 24 HZ1 LYS 24 6.132 0.111 -5.085
201 HZ2 LYS 24 HZ2 LYS 24 5.673 1.176 -6.323
202 HZ3 LYS 24 HZ3 LYS 24 6.042 -0.431 -6.686
203 H ARG 25 HN ARG 25 4.809 2.900 0.181
204 HA ARG 25 HA ARG 25 7.434 2.613 -0.865
205 HB2 ARG 25 HB2 ARG 25 6.348 4.407 1.297
206 HB3 ARG 25 HB1 ARG 25 7.996 4.497 0.690
207 HG2 ARG 25 HG2 ARG 25 7.135 4.956 -1.557
208 HG3 ARG 25 HG1 ARG 25 5.489 4.906 -0.928
209 HD2 ARG 25 HD2 ARG 25 5.988 6.802 0.535
210 HD3 ARG 25 HD1 ARG 25 7.645 6.832 -0.065
211 HE ARG 25 HE ARG 25 6.191 7.078 -2.322
212 HH11 ARG 25 HH11 ARG 25 6.172 8.801 0.726
213 HH12 ARG 25 HH12 ARG 25 5.593 10.281 0.029
214 HH21 ARG 25 HH21 ARG 25 5.200 10.421 -2.223
215 HH22 ARG 25 HH22 ARG 25 5.459 9.042 -3.244
216 H THR 26 HN THR 26 5.944 0.979 1.637
217 HA THR 26 HA THR 26 8.300 0.577 3.239
218 HB THR 26 HB THR 26 7.054 -1.254 4.311
219 HG1 THR 26 HG1 THR 26 4.858 -0.622 2.613
220 HG21 THR 26 HG21 THR 26 6.685 1.025 5.107
221 HG22 THR 26 HG22 THR 26 5.214 0.062 5.247
222 HG23 THR 26 HG23 THR 26 5.382 1.230 3.937
223 H HIS 27 HN HIS 27 6.703 -1.030 0.552
224 HA HIS 27 HA HIS 27 8.569 -3.241 0.542
225 HB2 HIS 27 HB2 HIS 27 6.583 -2.487 -1.610
226 HB3 HIS 27 HB1 HIS 27 7.383 -4.037 -1.404
227 HD1 HIS 27 HD1 HIS 27 6.690 -5.096 1.228
228 HD2 HIS 27 HD2 HIS 27 4.065 -2.602 -0.842
229 HE1 HIS 27 HE1 HIS 27 4.360 -5.556 2.154
230 H THR 28 HN THR 28 7.739 -0.559 -1.621
231 HA THR 28 HA THR 28 10.402 -0.803 -2.847
232 HB THR 28 HB THR 28 9.360 0.375 -4.812
233 HG1 THR 28 HG1 THR 28 7.523 1.178 -3.605
234 HG21 THR 28 HG21 THR 28 8.160 -2.285 -4.031
235 HG22 THR 28 HG22 THR 28 9.700 -2.040 -4.855
236 HG23 THR 28 HG23 THR 28 8.190 -1.620 -5.663
237 H GLY 29 HN GLY 29 11.113 0.520 -0.998
238 HA2 GLY 29 HA2 GLY 29 10.472 3.372 -1.409
239 HA3 GLY 29 HA1 GLY 29 10.890 2.685 0.154
240 H GLU 30 HN GLU 30 12.237 4.876 -0.927
241 HA GLU 30 HA GLU 30 14.874 3.693 -1.502
242 HB2 GLU 30 HB2 GLU 30 13.728 6.292 -2.551
243 HB3 GLU 30 HB1 GLU 30 15.402 5.792 -2.749
244 HG2 GLU 30 HG2 GLU 30 14.690 3.855 -4.039
245 HG3 GLU 30 HG1 GLU 30 13.003 4.324 -3.827
246 H LYS 31 HN LYS 31 15.188 3.652 0.773
247 HA LYS 31 HA LYS 31 15.161 6.158 2.226
248 HB2 LYS 31 HB2 LYS 31 15.928 3.367 3.106
249 HB3 LYS 31 HB1 LYS 31 15.790 4.761 4.165
250 HG2 LYS 31 HG2 LYS 31 13.407 4.924 3.628
251 HG3 LYS 31 HG1 LYS 31 13.553 3.508 2.588
252 HD2 LYS 31 HD2 LYS 31 14.216 2.152 4.499
253 HD3 LYS 31 HD1 LYS 31 14.137 3.567 5.550
254 HE2 LYS 31 HE2 LYS 31 11.830 2.323 4.053
255 HE3 LYS 31 HE1 LYS 31 12.133 2.194 5.784
256 HZ1 LYS 31 HZ1 LYS 31 11.507 4.683 4.292
257 HZ2 LYS 31 HZ2 LYS 31 11.874 4.613 5.943
258 HZ3 LYS 31 HZ3 LYS 31 10.478 3.866 5.353
259 HN1 NH2 32 HN1 NH2 32 16.811 7.053 0.793
260 HN2 NH2 32 HN2 NH2 32 18.477 6.774 1.171
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 -12.814 4.213 -2.466
2 H2 ARG 1 HT2 ARG 1 -13.981 3.005 -2.295
3 H3 ARG 1 HT3 ARG 1 -14.109 4.132 -3.547
4 HA ARG 1 HA ARG 1 -13.333 2.027 -4.385
5 HB2 ARG 1 HB2 ARG 1 -11.247 4.218 -4.344
6 HB3 ARG 1 HB1 ARG 1 -11.170 2.817 -5.400
7 HG2 ARG 1 HG2 ARG 1 -13.362 3.517 -6.361
8 HG3 ARG 1 HG1 ARG 1 -13.239 4.998 -5.412
9 HD2 ARG 1 HD2 ARG 1 -11.092 5.496 -6.523
10 HD3 ARG 1 HD1 ARG 1 -11.289 4.046 -7.505
11 HE ARG 1 HE ARG 1 -13.473 5.932 -7.656
12 HH11 ARG 1 HH11 ARG 1 -10.728 5.616 -10.570
13 HH12 ARG 1 HH12 ARG 1 -10.438 4.867 -9.031
14 HH21 ARG 1 HH21 ARG 1 -12.672 6.789 -10.932
15 HH22 ARG 1 HH22 ARG 1 -13.853 6.929 -9.671
16 HA PRO 2 HA PRO 2 -10.653 -0.178 -1.599
17 HB2 PRO 2 HB2 PRO 2 -10.440 -2.472 -2.952
18 HB3 PRO 2 HB1 PRO 2 -11.966 -1.983 -2.198
19 HG2 PRO 2 HG2 PRO 2 -11.137 -1.866 -5.061
20 HG3 PRO 2 HG1 PRO 2 -12.718 -2.249 -4.371
21 HD2 PRO 2 HD2 PRO 2 -11.963 0.219 -5.417
22 HD3 PRO 2 HD1 PRO 2 -13.340 -0.060 -4.331
23 H PHE 3 HN PHE 3 -8.736 1.031 -1.733
24 HA PHE 3 HA PHE 3 -6.901 0.498 -3.921
25 HB2 PHE 3 HB2 PHE 3 -6.618 2.158 -1.411
26 HB3 PHE 3 HB1 PHE 3 -5.344 1.964 -2.604
27 HD1 PHE 3 HD1 PHE 3 -5.755 2.738 -4.955
28 HD2 PHE 3 HD2 PHE 3 -8.332 3.740 -1.721
29 HE1 PHE 3 HE1 PHE 3 -6.679 4.598 -6.273
30 HE2 PHE 3 HE2 PHE 3 -9.261 5.600 -3.032
31 HZ PHE 3 HZ PHE 3 -8.438 6.031 -5.313
32 H NLE 4 HN NLE 4 -6.393 -1.611 -3.817
33 HA NLE 4 HA NLE 4 -5.545 -2.752 -1.260
34 HB2 NLE 4 HB1 NLE 4 -6.296 -4.055 -3.884
35 HB3 NLE 4 HB2 NLE 4 -7.301 -3.955 -2.447
36 HG2 NLE 4 HG1 NLE 4 -5.750 -5.397 -1.242
37 HG3 NLE 4 HG2 NLE 4 -4.709 -5.475 -2.667
38 HD2 NLE 4 HD1 NLE 4 -6.567 -6.499 -3.935
39 HD3 NLE 4 HD2 NLE 4 -7.553 -6.477 -2.466
40 HE1 NLE 4 HE1 NLE 4 -4.931 -7.928 -2.804
41 HE2 NLE 4 HE2 NLE 4 -6.531 -8.667 -2.820
42 HE3 NLE 4 HE3 NLE 4 -5.927 -7.909 -1.350
43 H CYS 5 HN CYS 5 -3.497 -3.136 -0.845
44 HA CYS 5 HA CYS 5 -1.448 -2.714 -2.801
45 HB2 CYS 5 HB2 CYS 5 -0.987 -2.135 -0.500
46 HB3 CYS 5 HB1 CYS 5 -1.344 -3.772 0.027
47 H THR 6 HN THR 6 -1.100 -4.143 -4.351
48 HA THR 6 HA THR 6 -1.870 -6.920 -3.908
49 HB THR 6 HB THR 6 -1.563 -7.070 -6.424
50 HG1 THR 6 HG1 THR 6 -0.846 -5.361 -7.436
51 HG21 THR 6 HG21 THR 6 -3.683 -5.909 -6.893
52 HG22 THR 6 HG22 THR 6 -3.571 -5.096 -5.333
53 HG23 THR 6 HG23 THR 6 -3.765 -6.846 -5.401
54 H TRP 7 HN TRP 7 0.686 -5.643 -2.947
55 HA TRP 7 HA TRP 7 2.807 -6.857 -4.414
56 HB2 TRP 7 HB2 TRP 7 3.031 -4.889 -2.843
57 HB3 TRP 7 HB1 TRP 7 2.831 -6.017 -1.510
58 HD1 TRP 7 HD1 TRP 7 5.282 -5.150 -4.331
59 HE1 TRP 7 HE1 TRP 7 7.617 -6.024 -3.689
60 HE3 TRP 7 HE3 TRP 7 4.055 -7.689 -0.068
61 HZ2 TRP 7 HZ2 TRP 7 8.777 -7.577 -1.636
62 HZ3 TRP 7 HZ3 TRP 7 5.839 -8.836 1.174
63 HH2 TRP 7 HH2 TRP 7 8.148 -8.782 0.405
64 H NVA 8 HN NVX 8 2.740 -8.994 -4.668
65 HA NVA 8 HA NVX 8 2.258 -11.188 -4.319
66 HB2 NVA 8 HB1 NVX 8 4.611 -10.784 -3.511
67 HB3 NVA 8 HB2 NVX 8 3.832 -12.258 -2.955
68 HG2 NVA 8 HG1 NVX 8 4.239 -9.731 -1.386
69 HG3 NVA 8 HG2 NVX 8 5.045 -11.286 -1.146
70 HD1 NVA 8 HD NVX 8 2.931 -10.542 0.278
71 HA CYS 9 HA CYX 9 -0.199 -12.138 -0.690
72 HB2 CYS 9 HB2 CYX 9 1.250 -12.896 1.567
73 HB3 CYS 9 HB1 CYX 9 1.013 -13.891 0.123
74 H CYS 10 HN CYS 10 1.034 -9.256 -0.310
75 HA CYS 10 HA CYS 10 0.620 -8.656 2.436
76 HB2 CYS 10 HB2 CYS 10 2.035 -7.298 0.929
77 HB3 CYS 10 HB1 CYS 10 0.599 -6.800 0.053
78 H GLY 11 HN GLY 11 -1.273 -7.492 -0.361
79 HA2 GLY 11 HA2 GLY 11 -3.513 -7.144 -0.625
80 HA3 GLY 11 HA1 GLY 11 -3.722 -8.541 0.414
81 H LYS 12 HN LYS 12 -2.446 -5.289 1.075
82 HA LYS 12 HA LYS 12 -4.407 -5.064 3.241
83 HB2 LYS 12 HB2 LYS 12 -1.900 -4.663 3.615
84 HB3 LYS 12 HB1 LYS 12 -2.120 -3.169 2.712
85 HG2 LYS 12 HG2 LYS 12 -3.580 -2.284 4.339
86 HG3 LYS 12 HG1 LYS 12 -3.735 -3.847 5.155
87 HD2 LYS 12 HD2 LYS 12 -1.284 -3.729 5.652
88 HD3 LYS 12 HD1 LYS 12 -1.293 -2.083 5.020
89 HE2 LYS 12 HE2 LYS 12 -2.960 -3.081 7.326
90 HE3 LYS 12 HE1 LYS 12 -1.473 -2.144 7.472
91 HZ1 LYS 12 HZ1 LYS 12 -3.458 -0.769 7.679
92 HZ2 LYS 12 HZ2 LYS 12 -3.951 -1.212 6.125
93 HZ3 LYS 12 HZ3 LYS 12 -2.533 -0.316 6.340
94 H ARG 13 HN ARG 13 -5.985 -3.524 3.234
95 HA ARG 13 HA ARG 13 -6.357 -2.206 0.632
96 HB2 ARG 13 HB2 ARG 13 -8.405 -3.129 2.650
97 HB3 ARG 13 HB1 ARG 13 -8.769 -2.359 1.112
98 HG2 ARG 13 HG2 ARG 13 -7.940 -4.208 -0.112
99 HG3 ARG 13 HG1 ARG 13 -7.224 -4.920 1.334
100 HD2 ARG 13 HD2 ARG 13 -9.293 -6.064 0.674
101 HD3 ARG 13 HD1 ARG 13 -9.436 -5.311 2.260
102 HE ARG 13 HE ARG 13 -10.394 -3.455 0.471
103 HH11 ARG 13 HH11 ARG 13 -11.191 -6.725 1.415
104 HH12 ARG 13 HH12 ARG 13 -12.869 -6.571 1.007
105 HH21 ARG 13 HH21 ARG 13 -12.600 -3.244 -0.066
106 HH22 ARG 13 HH22 ARG 13 -13.673 -4.591 0.152
107 H PHE 14 HN PHE 14 -6.886 -0.096 0.482
108 HA PHE 14 HA PHE 14 -7.172 1.464 2.967
109 HB2 PHE 14 HB2 PHE 14 -5.579 2.341 0.545
110 HB3 PHE 14 HB1 PHE 14 -5.718 3.184 2.082
111 HD1 PHE 14 HD1 PHE 14 -4.138 0.457 0.280
112 HD2 PHE 14 HD2 PHE 14 -4.533 2.393 4.043
113 HE1 PHE 14 HE1 PHE 14 -2.143 -0.726 1.092
114 HE2 PHE 14 HE2 PHE 14 -2.539 1.209 4.863
115 HZ PHE 14 HZ PHE 14 -1.344 -0.347 3.385
116 H THR 15 HN THR 15 -8.189 3.585 2.608
117 HA THR 15 HA THR 15 -10.174 3.460 0.455
118 HB THR 15 HB THR 15 -11.221 5.375 1.782
119 HG1 THR 15 HG1 THR 15 -10.506 5.438 4.004
120 HG21 THR 15 HG21 THR 15 -12.132 3.126 1.884
121 HG22 THR 15 HG22 THR 15 -12.160 3.849 3.490
122 HG23 THR 15 HG23 THR 15 -10.924 2.662 3.080
123 H ARG 16 HN ARG 16 -7.210 4.766 0.947
124 HA ARG 16 HA ARG 16 -7.760 7.040 -0.822
125 HB2 ARG 16 HB2 ARG 16 -6.023 7.080 1.656
126 HB3 ARG 16 HB1 ARG 16 -6.106 8.379 0.478
127 HG2 ARG 16 HG2 ARG 16 -8.496 8.655 0.983
128 HG3 ARG 16 HG1 ARG 16 -8.363 7.392 2.209
129 HD2 ARG 16 HD2 ARG 16 -8.226 9.606 3.222
130 HD3 ARG 16 HD1 ARG 16 -6.708 8.734 3.407
131 HE ARG 16 HE ARG 16 -7.029 10.664 1.214
132 HH11 ARG 16 HH11 ARG 16 -4.174 10.852 4.040
133 HH12 ARG 16 HH12 ARG 16 -5.463 9.705 4.198
134 HH21 ARG 16 HH21 ARG 16 -4.108 12.265 2.230
135 HH22 ARG 16 HH22 ARG 16 -5.338 12.180 1.008
136 H SER 17 HN SER 17 -6.254 7.402 -2.375
137 HA SER 17 HA SER 17 -4.542 5.228 -3.053
138 HB2 SER 17 HB2 SER 17 -3.887 6.789 -4.955
139 HB3 SER 17 HB1 SER 17 -5.600 6.384 -4.848
140 HG SER 17 HG SER 17 -4.395 8.800 -4.675
141 H ASP 18 HN ASP 18 -4.077 8.468 -1.773
142 HA ASP 18 HA ASP 18 -1.270 8.566 -1.845
143 HB2 ASP 18 HB2 ASP 18 -3.187 9.804 0.143
144 HB3 ASP 18 HB1 ASP 18 -1.478 10.199 0.034
145 H GLU 19 HN GLU 19 -3.503 7.017 0.326
146 HA GLU 19 HA GLU 19 -1.612 6.524 2.407
147 HB2 GLU 19 HB2 GLU 19 -4.231 6.572 2.500
148 HB3 GLU 19 HB1 GLU 19 -4.093 4.887 2.020
149 HG2 GLU 19 HG2 GLU 19 -4.282 5.058 4.416
150 HG3 GLU 19 HG1 GLU 19 -2.682 4.456 3.973
151 H LEU 20 HN LEU 20 -3.047 4.613 -0.196
152 HA LEU 20 HA LEU 20 -1.631 2.234 0.229
153 HB2 LEU 20 HB2 LEU 20 -3.491 2.228 -1.260
154 HB3 LEU 20 HB1 LEU 20 -2.778 3.476 -2.266
155 HG LEU 20 HG LEU 20 -1.019 1.886 -2.962
156 HD11 LEU 20 HD11 LEU 20 -1.251 -0.479 -2.459
157 HD12 LEU 20 HD12 LEU 20 -2.623 -0.132 -1.409
158 HD13 LEU 20 HD13 LEU 20 -1.016 0.463 -0.987
159 HD21 LEU 20 HD21 LEU 20 -2.399 0.546 -4.423
160 HD22 LEU 20 HD22 LEU 20 -3.072 2.171 -4.288
161 HD23 LEU 20 HD23 LEU 20 -3.806 0.832 -3.402
162 H GLN 21 HN GLN 21 -0.836 5.083 -1.728
163 HA GLN 21 HA GLN 21 1.553 4.086 -2.819
164 HB2 GLN 21 HB2 GLN 21 0.263 6.151 -3.536
165 HB3 GLN 21 HB1 GLN 21 0.999 6.984 -2.173
166 HG2 GLN 21 HG2 GLN 21 2.208 7.468 -4.197
167 HG3 GLN 21 HG1 GLN 21 3.218 6.523 -3.105
168 HE21 GLN 21 HE21 GLN 21 4.525 5.798 -4.786
169 HE22 GLN 21 HE22 GLN 21 3.986 4.616 -5.929
170 H ARG 22 HN ARG 22 0.921 5.991 0.102
171 HA ARG 22 HA ARG 22 3.574 6.261 0.978
172 HB2 ARG 22 HB2 ARG 22 1.682 7.534 1.920
173 HB3 ARG 22 HB1 ARG 22 1.047 6.061 2.628
174 HG2 ARG 22 HG2 ARG 22 2.968 5.880 4.077
175 HG3 ARG 22 HG1 ARG 22 3.702 7.298 3.320
176 HD2 ARG 22 HD2 ARG 22 1.809 8.662 4.069
177 HD3 ARG 22 HD1 ARG 22 1.095 7.247 4.838
178 HE ARG 22 HE ARG 22 3.406 7.292 6.088
179 HH11 ARG 22 HH11 ARG 22 1.828 10.954 6.602
180 HH12 ARG 22 HH12 ARG 22 1.328 9.979 5.261
181 HH21 ARG 22 HH21 ARG 22 4.055 8.556 7.877
182 HH22 ARG 22 HH22 ARG 22 3.382 10.140 8.100
183 H HIS 23 HN HIS 23 1.122 3.807 1.705
184 HA HIS 23 HA HIS 23 2.679 2.212 3.403
185 HB2 HIS 23 HB2 HIS 23 0.367 1.757 3.409
186 HB3 HIS 23 HB1 HIS 23 0.293 1.651 1.655
187 HD1 HIS 23 HD1 HIS 23 1.030 -0.435 4.705
188 HD2 HIS 23 HD2 HIS 23 1.132 -0.766 0.548
189 HE1 HIS 23 HE1 HIS 23 1.452 -2.895 4.172
190 H LYS 24 HN LYS 24 2.251 2.131 -0.112
191 HA LYS 24 HA LYS 24 3.575 -0.248 -0.659
192 HB2 LYS 24 HB2 LYS 24 2.227 1.177 -2.253
193 HB3 LYS 24 HB1 LYS 24 3.649 2.196 -2.426
194 HG2 LYS 24 HG2 LYS 24 3.567 0.680 -4.266
195 HG3 LYS 24 HG1 LYS 24 4.905 0.207 -3.218
196 HD2 LYS 24 HD2 LYS 24 3.525 -1.539 -2.225
197 HD3 LYS 24 HD1 LYS 24 2.162 -1.049 -3.230
198 HE2 LYS 24 HE2 LYS 24 4.802 -2.123 -4.224
199 HE3 LYS 24 HE1 LYS 24 3.284 -3.017 -4.145
200 HZ1 LYS 24 HZ1 LYS 24 2.331 -1.373 -5.688
201 HZ2 LYS 24 HZ2 LYS 24 3.626 -2.223 -6.361
202 HZ3 LYS 24 HZ3 LYS 24 3.848 -0.636 -5.825
203 H ARG 25 HN ARG 25 4.868 2.870 0.161
204 HA ARG 25 HA ARG 25 7.496 2.464 -0.824
205 HB2 ARG 25 HB2 ARG 25 6.529 4.277 1.386
206 HB3 ARG 25 HB1 ARG 25 8.128 4.339 0.659
207 HG2 ARG 25 HG2 ARG 25 7.087 4.851 -1.519
208 HG3 ARG 25 HG1 ARG 25 5.508 4.880 -0.729
209 HD2 ARG 25 HD2 ARG 25 6.316 6.690 0.746
210 HD3 ARG 25 HD1 ARG 25 7.854 6.675 -0.111
211 HE ARG 25 HE ARG 25 5.832 7.047 -1.997
212 HH11 ARG 25 HH11 ARG 25 7.266 8.733 0.709
213 HH12 ARG 25 HH12 ARG 25 6.892 10.312 0.093
214 HH21 ARG 25 HH21 ARG 25 5.792 10.542 -1.906
215 HH22 ARG 25 HH22 ARG 25 5.331 9.136 -2.813
216 H THR 26 HN THR 26 5.906 0.908 1.685
217 HA THR 26 HA THR 26 8.203 0.502 3.369
218 HB THR 26 HB THR 26 6.871 -1.251 4.473
219 HG1 THR 26 HG1 THR 26 4.691 -0.601 2.784
220 HG21 THR 26 HG21 THR 26 6.576 1.065 5.189
221 HG22 THR 26 HG22 THR 26 5.057 0.174 5.311
222 HG23 THR 26 HG23 THR 26 5.318 1.289 3.971
223 H HIS 27 HN HIS 27 6.706 -1.114 0.640
224 HA HIS 27 HA HIS 27 8.525 -3.376 0.838
225 HB2 HIS 27 HB2 HIS 27 6.627 -2.781 -1.431
226 HB3 HIS 27 HB1 HIS 27 7.385 -4.316 -1.051
227 HD1 HIS 27 HD1 HIS 27 6.522 -5.233 1.539
228 HD2 HIS 27 HD2 HIS 27 4.102 -2.689 -0.709
229 HE1 HIS 27 HE1 HIS 27 4.138 -5.537 2.402
230 H THR 28 HN THR 28 7.674 -1.000 -1.652
231 HA THR 28 HA THR 28 10.362 -0.485 -2.390
232 HB THR 28 HB THR 28 10.335 -2.682 -3.344
233 HG1 THR 28 HG1 THR 28 11.351 -1.810 -4.954
234 HG21 THR 28 HG21 THR 28 8.700 -3.372 -5.060
235 HG22 THR 28 HG22 THR 28 7.796 -1.885 -4.770
236 HG23 THR 28 HG23 THR 28 7.951 -3.089 -3.489
237 H GLY 29 HN GLY 29 9.549 1.628 -2.151
238 HA2 GLY 29 HA2 GLY 29 8.319 2.654 -4.580
239 HA3 GLY 29 HA1 GLY 29 7.409 2.910 -3.099
240 H GLU 30 HN GLU 30 10.769 2.846 -2.674
241 HA GLU 30 HA GLU 30 10.896 5.785 -2.713
242 HB2 GLU 30 HB2 GLU 30 10.644 4.898 -0.404
243 HB3 GLU 30 HB1 GLU 30 12.100 3.941 -0.634
244 HG2 GLU 30 HG2 GLU 30 13.402 5.990 -0.908
245 HG3 GLU 30 HG1 GLU 30 11.942 6.946 -0.655
246 H LYS 31 HN LYS 31 11.753 5.040 -4.917
247 HA LYS 31 HA LYS 31 14.515 4.094 -4.772
248 HB2 LYS 31 HB2 LYS 31 12.681 4.474 -7.144
249 HB3 LYS 31 HB1 LYS 31 14.332 3.885 -7.244
250 HG2 LYS 31 HG2 LYS 31 13.747 1.936 -5.932
251 HG3 LYS 31 HG1 LYS 31 12.097 2.534 -5.746
252 HD2 LYS 31 HD2 LYS 31 11.783 2.415 -8.168
253 HD3 LYS 31 HD1 LYS 31 13.437 1.829 -8.354
254 HE2 LYS 31 HE2 LYS 31 12.896 -0.161 -7.061
255 HE3 LYS 31 HE1 LYS 31 11.254 0.434 -6.805
256 HZ1 LYS 31 HZ1 LYS 31 12.461 -0.232 -9.436
257 HZ2 LYS 31 HZ2 LYS 31 10.884 0.325 -9.187
258 HZ3 LYS 31 HZ3 LYS 31 11.350 -1.186 -8.592
259 HN1 NH2 32 HN1 NH2 32 12.769 6.523 -6.665
260 HN2 NH2 32 HN2 NH2 32 14.015 7.722 -6.614
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 -14.701 3.355 -5.078
2 H2 ARG 1 HT2 ARG 1 -13.415 4.074 -4.249
3 H3 ARG 1 HT3 ARG 1 -14.426 2.980 -3.453
4 HA ARG 1 HA ARG 1 -13.684 1.197 -4.880
5 HB2 ARG 1 HB2 ARG 1 -11.801 3.301 -5.967
6 HB3 ARG 1 HB1 ARG 1 -11.717 1.585 -6.336
7 HG2 ARG 1 HG2 ARG 1 -13.939 1.719 -7.376
8 HG3 ARG 1 HG1 ARG 1 -13.970 3.453 -7.044
9 HD2 ARG 1 HD2 ARG 1 -12.017 1.979 -8.806
10 HD3 ARG 1 HD1 ARG 1 -13.284 3.083 -9.332
11 HE ARG 1 HE ARG 1 -12.016 4.840 -8.079
12 HH11 ARG 1 HH11 ARG 1 -8.847 2.756 -9.420
13 HH12 ARG 1 HH12 ARG 1 -10.389 1.981 -9.280
14 HH21 ARG 1 HH21 ARG 1 -8.610 4.964 -8.831
15 HH22 ARG 1 HH22 ARG 1 -9.974 5.860 -8.242
16 HA PRO 2 HA PRO 2 -10.731 0.939 -1.536
17 HB2 PRO 2 HB2 PRO 2 -10.466 -1.727 -1.471
18 HB3 PRO 2 HB1 PRO 2 -11.948 -0.928 -0.919
19 HG2 PRO 2 HG2 PRO 2 -11.402 -2.359 -3.475
20 HG3 PRO 2 HG1 PRO 2 -12.879 -2.324 -2.505
21 HD2 PRO 2 HD2 PRO 2 -12.404 -0.807 -4.790
22 HD3 PRO 2 HD1 PRO 2 -13.650 -0.467 -3.571
23 H PHE 3 HN PHE 3 -8.602 1.167 -1.563
24 HA PHE 3 HA PHE 3 -7.116 0.378 -3.947
25 HB2 PHE 3 HB2 PHE 3 -6.356 2.119 -1.594
26 HB3 PHE 3 HB1 PHE 3 -5.322 1.801 -2.978
27 HD1 PHE 3 HD1 PHE 3 -5.991 2.593 -5.226
28 HD2 PHE 3 HD2 PHE 3 -8.090 3.735 -1.704
29 HE1 PHE 3 HE1 PHE 3 -7.021 4.460 -6.451
30 HE2 PHE 3 HE2 PHE 3 -9.125 5.603 -2.922
31 HZ PHE 3 HZ PHE 3 -8.595 5.969 -5.299
32 H NLE 4 HN NLE 4 -6.349 -1.615 -3.910
33 HA NLE 4 HA NLE 4 -5.615 -2.798 -1.325
34 HB2 NLE 4 HB1 NLE 4 -6.316 -4.150 -3.939
35 HB3 NLE 4 HB2 NLE 4 -7.421 -3.911 -2.593
36 HG2 NLE 4 HG1 NLE 4 -5.958 -5.327 -1.189
37 HG3 NLE 4 HG2 NLE 4 -4.946 -5.626 -2.605
38 HD2 NLE 4 HD1 NLE 4 -6.839 -6.637 -3.767
39 HD3 NLE 4 HD2 NLE 4 -7.884 -6.301 -2.377
40 HE1 NLE 4 HE1 NLE 4 -7.127 -8.619 -2.365
41 HE2 NLE 4 HE2 NLE 4 -6.480 -7.737 -0.982
42 HE3 NLE 4 HE3 NLE 4 -5.450 -8.078 -2.372
43 H CYS 5 HN CYS 5 -3.581 -3.233 -0.896
44 HA CYS 5 HA CYS 5 -1.501 -2.707 -2.771
45 HB2 CYS 5 HB2 CYS 5 -1.166 -2.291 -0.386
46 HB3 CYS 5 HB1 CYS 5 -1.402 -4.000 -0.040
47 H THR 6 HN THR 6 -1.495 -4.046 -4.483
48 HA THR 6 HA THR 6 -1.737 -6.919 -4.117
49 HB THR 6 HB THR 6 -1.203 -5.530 -6.735
50 HG1 THR 6 HG1 THR 6 -3.252 -5.048 -5.109
51 HG21 THR 6 HG21 THR 6 -2.763 -8.016 -5.996
52 HG22 THR 6 HG22 THR 6 -1.146 -7.989 -6.699
53 HG23 THR 6 HG23 THR 6 -2.521 -7.397 -7.629
54 H TRP 7 HN TRP 7 0.355 -6.413 -2.777
55 HA TRP 7 HA TRP 7 2.683 -6.906 -4.505
56 HB2 TRP 7 HB2 TRP 7 2.730 -4.780 -3.154
57 HB3 TRP 7 HB1 TRP 7 2.685 -5.768 -1.701
58 HD1 TRP 7 HD1 TRP 7 5.016 -4.616 -4.461
59 HE1 TRP 7 HE1 TRP 7 7.429 -5.278 -3.858
60 HE3 TRP 7 HE3 TRP 7 4.060 -7.573 -0.404
61 HZ2 TRP 7 HZ2 TRP 7 8.746 -6.847 -1.916
62 HZ3 TRP 7 HZ3 TRP 7 5.952 -8.612 0.765
63 HH2 TRP 7 HH2 TRP 7 8.243 -8.258 0.025
64 H NVA 8 HN NVX 8 3.070 -9.049 -4.500
65 HA NVA 8 HA NVX 8 3.257 -11.206 -3.827
66 HB2 NVA 8 HB1 NVX 8 4.246 -9.636 -1.477
67 HB3 NVA 8 HB2 NVX 8 5.151 -10.630 -2.607
68 HG2 NVA 8 HG1 NVX 8 5.077 -11.640 -0.400
69 HG3 NVA 8 HG2 NVX 8 4.227 -12.640 -1.588
70 HD1 NVA 8 HD NVX 8 3.052 -10.785 0.448
71 HA CYS 9 HA CYX 9 -0.303 -11.830 -1.021
72 HB2 CYS 9 HB2 CYX 9 0.267 -13.196 1.210
73 HB3 CYS 9 HB1 CYX 9 0.616 -13.876 -0.390
74 H CYS 10 HN CYS 10 0.928 -9.218 -0.403
75 HA CYS 10 HA CYS 10 0.559 -8.651 2.363
76 HB2 CYS 10 HB2 CYS 10 1.991 -7.323 0.810
77 HB3 CYS 10 HB1 CYS 10 0.538 -6.739 0.019
78 H GLY 11 HN GLY 11 -1.335 -7.407 -0.414
79 HA2 GLY 11 HA2 GLY 11 -3.587 -7.109 -0.684
80 HA3 GLY 11 HA1 GLY 11 -3.766 -8.520 0.338
81 H LYS 12 HN LYS 12 -2.458 -5.350 1.238
82 HA LYS 12 HA LYS 12 -4.583 -5.099 3.229
83 HB2 LYS 12 HB2 LYS 12 -2.183 -4.724 3.880
84 HB3 LYS 12 HB1 LYS 12 -2.169 -3.318 2.824
85 HG2 LYS 12 HG2 LYS 12 -3.782 -2.198 4.163
86 HG3 LYS 12 HG1 LYS 12 -4.070 -3.650 5.130
87 HD2 LYS 12 HD2 LYS 12 -1.766 -3.547 5.959
88 HD3 LYS 12 HD1 LYS 12 -1.488 -2.087 5.009
89 HE2 LYS 12 HE2 LYS 12 -3.294 -0.964 6.266
90 HE3 LYS 12 HE1 LYS 12 -3.488 -2.417 7.244
91 HZ1 LYS 12 HZ1 LYS 12 -1.001 -0.806 7.076
92 HZ2 LYS 12 HZ2 LYS 12 -1.254 -2.149 8.069
93 HZ3 LYS 12 HZ3 LYS 12 -2.124 -0.723 8.334
94 H ARG 13 HN ARG 13 -6.129 -3.497 3.153
95 HA ARG 13 HA ARG 13 -6.260 -2.092 0.571
96 HB2 ARG 13 HB2 ARG 13 -8.519 -3.009 2.355
97 HB3 ARG 13 HB1 ARG 13 -8.713 -2.143 0.838
98 HG2 ARG 13 HG2 ARG 13 -7.683 -3.997 -0.360
99 HG3 ARG 13 HG1 ARG 13 -7.467 -4.862 1.162
100 HD2 ARG 13 HD2 ARG 13 -10.092 -4.053 -0.083
101 HD3 ARG 13 HD1 ARG 13 -9.425 -5.683 -0.022
102 HE ARG 13 HE ARG 13 -9.750 -4.454 2.560
103 HH11 ARG 13 HH11 ARG 13 -11.292 -6.354 0.064
104 HH12 ARG 13 HH12 ARG 13 -12.467 -7.042 1.139
105 HH21 ARG 13 HH21 ARG 13 -11.300 -5.345 3.974
106 HH22 ARG 13 HH22 ARG 13 -12.464 -6.479 3.366
107 H PHE 14 HN PHE 14 -6.864 0.018 0.457
108 HA PHE 14 HA PHE 14 -7.131 1.505 2.982
109 HB2 PHE 14 HB2 PHE 14 -5.499 2.391 0.590
110 HB3 PHE 14 HB1 PHE 14 -5.650 3.234 2.128
111 HD1 PHE 14 HD1 PHE 14 -4.111 0.449 0.363
112 HD2 PHE 14 HD2 PHE 14 -4.490 2.456 4.090
113 HE1 PHE 14 HE1 PHE 14 -2.149 -0.766 1.210
114 HE2 PHE 14 HE2 PHE 14 -2.528 1.247 4.947
115 HZ PHE 14 HZ PHE 14 -1.356 -0.363 3.503
116 H THR 15 HN THR 15 -8.193 3.576 2.742
117 HA THR 15 HA THR 15 -10.134 3.584 0.554
118 HB THR 15 HB THR 15 -11.184 5.450 1.932
119 HG1 THR 15 HG1 THR 15 -9.506 4.467 4.013
120 HG21 THR 15 HG21 THR 15 -10.874 2.726 3.208
121 HG22 THR 15 HG22 THR 15 -12.068 3.177 1.991
122 HG23 THR 15 HG23 THR 15 -12.132 3.896 3.599
123 H ARG 16 HN ARG 16 -7.154 4.796 1.100
124 HA ARG 16 HA ARG 16 -7.618 7.151 -0.594
125 HB2 ARG 16 HB2 ARG 16 -5.732 6.932 1.760
126 HB3 ARG 16 HB1 ARG 16 -5.775 8.286 0.645
127 HG2 ARG 16 HG2 ARG 16 -8.016 8.841 1.355
128 HG3 ARG 16 HG1 ARG 16 -8.054 7.426 2.412
129 HD2 ARG 16 HD2 ARG 16 -6.273 8.325 3.759
130 HD3 ARG 16 HD1 ARG 16 -6.054 9.669 2.647
131 HE ARG 16 HE ARG 16 -8.694 9.717 3.567
132 HH11 ARG 16 HH11 ARG 16 -5.925 11.281 6.016
133 HH12 ARG 16 HH12 ARG 16 -5.457 10.133 4.807
134 HH21 ARG 16 HH21 ARG 16 -8.131 11.899 6.229
135 HH22 ARG 16 HH22 ARG 16 -9.326 11.226 5.168
136 H SER 17 HN SER 17 -6.298 7.318 -2.310
137 HA SER 17 HA SER 17 -4.727 5.084 -3.077
138 HB2 SER 17 HB2 SER 17 -4.097 6.692 -4.997
139 HB3 SER 17 HB1 SER 17 -5.795 6.241 -4.830
140 HG SER 17 HG SER 17 -4.890 8.645 -4.942
141 H ASP 18 HN ASP 18 -3.965 8.334 -1.928
142 HA ASP 18 HA ASP 18 -1.149 8.102 -2.207
143 HB2 ASP 18 HB2 ASP 18 -2.792 9.891 -0.410
144 HB3 ASP 18 HB1 ASP 18 -1.058 10.041 -0.651
145 H GLU 19 HN GLU 19 -3.411 7.034 0.157
146 HA GLU 19 HA GLU 19 -1.528 6.623 2.269
147 HB2 GLU 19 HB2 GLU 19 -4.034 6.896 2.536
148 HB3 GLU 19 HB1 GLU 19 -4.205 5.272 1.895
149 HG2 GLU 19 HG2 GLU 19 -3.051 4.342 3.754
150 HG3 GLU 19 HG1 GLU 19 -2.616 5.942 4.355
151 H LEU 20 HN LEU 20 -3.047 4.631 -0.225
152 HA LEU 20 HA LEU 20 -1.697 2.232 0.294
153 HB2 LEU 20 HB2 LEU 20 -3.509 2.192 -1.240
154 HB3 LEU 20 HB1 LEU 20 -2.780 3.429 -2.248
155 HG LEU 20 HG LEU 20 -0.988 1.826 -2.868
156 HD11 LEU 20 HD11 LEU 20 -1.236 -0.523 -2.354
157 HD12 LEU 20 HD12 LEU 20 -2.668 -0.181 -1.383
158 HD13 LEU 20 HD13 LEU 20 -1.088 0.422 -0.872
159 HD21 LEU 20 HD21 LEU 20 -2.289 0.544 -4.405
160 HD22 LEU 20 HD22 LEU 20 -3.054 2.123 -4.230
161 HD23 LEU 20 HD23 LEU 20 -3.731 0.718 -3.409
162 H GLN 21 HN GLN 21 -0.811 4.982 -1.771
163 HA GLN 21 HA GLN 21 1.594 3.927 -2.732
164 HB2 GLN 21 HB2 GLN 21 0.703 6.773 -2.310
165 HB3 GLN 21 HB1 GLN 21 2.231 6.356 -3.073
166 HG2 GLN 21 HG2 GLN 21 -0.488 5.512 -4.052
167 HG3 GLN 21 HG1 GLN 21 0.471 6.841 -4.703
168 HE21 GLN 21 HE21 GLN 21 2.333 6.390 -5.872
169 HE22 GLN 21 HE22 GLN 21 2.648 4.819 -6.531
170 H ARG 22 HN ARG 22 0.972 5.962 0.126
171 HA ARG 22 HA ARG 22 3.628 6.171 0.977
172 HB2 ARG 22 HB2 ARG 22 1.770 7.495 1.944
173 HB3 ARG 22 HB1 ARG 22 1.164 6.046 2.726
174 HG2 ARG 22 HG2 ARG 22 3.224 5.867 4.017
175 HG3 ARG 22 HG1 ARG 22 3.843 7.320 3.231
176 HD2 ARG 22 HD2 ARG 22 1.997 8.616 4.172
177 HD3 ARG 22 HD1 ARG 22 1.368 7.162 4.948
178 HE ARG 22 HE ARG 22 3.990 7.433 5.793
179 HH11 ARG 22 HH11 ARG 22 1.434 9.991 7.546
180 HH12 ARG 22 HH12 ARG 22 1.012 9.253 6.034
181 HH21 ARG 22 HH21 ARG 22 4.554 8.392 7.779
182 HH22 ARG 22 HH22 ARG 22 3.455 9.494 8.545
183 H HIS 23 HN HIS 23 1.133 3.808 1.892
184 HA HIS 23 HA HIS 23 2.703 2.180 3.518
185 HB2 HIS 23 HB2 HIS 23 0.401 1.720 3.569
186 HB3 HIS 23 HB1 HIS 23 0.277 1.667 1.813
187 HD1 HIS 23 HD1 HIS 23 0.996 -0.521 4.781
188 HD2 HIS 23 HD2 HIS 23 1.125 -0.715 0.616
189 HE1 HIS 23 HE1 HIS 23 1.422 -2.965 4.170
190 H LYS 24 HN LYS 24 2.185 2.051 0.020
191 HA LYS 24 HA LYS 24 3.531 -0.298 -0.558
192 HB2 LYS 24 HB2 LYS 24 2.161 0.893 -2.181
193 HB3 LYS 24 HB1 LYS 24 3.321 2.210 -2.227
194 HG2 LYS 24 HG2 LYS 24 5.000 0.651 -3.140
195 HG3 LYS 24 HG1 LYS 24 3.766 -0.612 -3.172
196 HD2 LYS 24 HD2 LYS 24 3.563 2.030 -4.615
197 HD3 LYS 24 HD1 LYS 24 4.086 0.518 -5.360
198 HE2 LYS 24 HE2 LYS 24 1.927 -0.490 -4.907
199 HE3 LYS 24 HE1 LYS 24 1.405 0.951 -4.035
200 HZ1 LYS 24 HZ1 LYS 24 0.563 0.822 -6.334
201 HZ2 LYS 24 HZ2 LYS 24 2.148 0.924 -6.907
202 HZ3 LYS 24 HZ3 LYS 24 1.475 2.213 -6.038
203 H ARG 25 HN ARG 25 4.821 2.877 0.138
204 HA ARG 25 HA ARG 25 7.408 2.397 -0.929
205 HB2 ARG 25 HB2 ARG 25 6.459 4.392 1.115
206 HB3 ARG 25 HB1 ARG 25 8.082 4.376 0.439
207 HG2 ARG 25 HG2 ARG 25 7.216 4.772 -1.771
208 HG3 ARG 25 HG1 ARG 25 5.560 4.654 -1.179
209 HD2 ARG 25 HD2 ARG 25 6.150 6.973 -1.461
210 HD3 ARG 25 HD1 ARG 25 5.967 6.621 0.255
211 HE ARG 25 HE ARG 25 8.674 6.344 -0.548
212 HH11 ARG 25 HH11 ARG 25 6.225 8.744 0.131
213 HH12 ARG 25 HH12 ARG 25 7.363 9.953 0.633
214 HH21 ARG 25 HH21 ARG 25 9.616 9.488 0.621
215 HH22 ARG 25 HH22 ARG 25 10.181 7.933 0.097
216 H THR 26 HN THR 26 5.917 1.051 1.769
217 HA THR 26 HA THR 26 8.278 0.658 3.344
218 HB THR 26 HB THR 26 7.023 -1.124 4.491
219 HG1 THR 26 HG1 THR 26 4.808 -0.524 2.813
220 HG21 THR 26 HG21 THR 26 5.191 0.251 5.381
221 HG22 THR 26 HG22 THR 26 5.397 1.381 4.043
222 HG23 THR 26 HG23 THR 26 6.687 1.172 5.229
223 H HIS 27 HN HIS 27 6.660 -1.013 0.726
224 HA HIS 27 HA HIS 27 8.468 -3.258 0.769
225 HB2 HIS 27 HB2 HIS 27 6.574 -2.424 -1.438
226 HB3 HIS 27 HB1 HIS 27 7.337 -3.994 -1.249
227 HD1 HIS 27 HD1 HIS 27 6.563 -5.090 1.356
228 HD2 HIS 27 HD2 HIS 27 4.029 -2.528 -0.747
229 HE1 HIS 27 HE1 HIS 27 4.206 -5.490 2.253
230 H THR 28 HN THR 28 7.840 -0.522 -1.409
231 HA THR 28 HA THR 28 10.597 -0.140 -1.967
232 HB THR 28 HB THR 28 10.363 -2.126 -3.323
233 HG1 THR 28 HG1 THR 28 11.527 -0.234 -4.175
234 HG21 THR 28 HG21 THR 28 8.780 -2.229 -5.212
235 HG22 THR 28 HG22 THR 28 8.063 -0.709 -4.676
236 HG23 THR 28 HG23 THR 28 7.956 -2.144 -3.654
237 H GLY 29 HN GLY 29 10.932 1.876 -2.719
238 HA2 GLY 29 HA2 GLY 29 8.573 3.427 -3.548
239 HA3 GLY 29 HA1 GLY 29 10.065 4.106 -2.913
240 H GLU 30 HN GLU 30 11.731 2.352 -4.560
241 HA GLU 30 HA GLU 30 11.086 2.847 -7.306
242 HB2 GLU 30 HB2 GLU 30 11.951 5.078 -6.460
243 HB3 GLU 30 HB1 GLU 30 13.492 4.284 -6.169
244 HG2 GLU 30 HG2 GLU 30 13.667 3.744 -8.541
245 HG3 GLU 30 HG1 GLU 30 12.120 4.534 -8.833
246 H LYS 31 HN LYS 31 12.401 1.634 -8.685
247 HA LYS 31 HA LYS 31 13.583 -0.200 -9.282
248 HB2 LYS 31 HB2 LYS 31 15.488 1.283 -8.686
249 HB3 LYS 31 HB1 LYS 31 15.439 0.654 -7.047
250 HG2 LYS 31 HG2 LYS 31 17.217 -0.398 -8.307
251 HG3 LYS 31 HG1 LYS 31 15.978 -1.583 -7.888
252 HD2 LYS 31 HD2 LYS 31 15.031 -1.376 -10.142
253 HD3 LYS 31 HD1 LYS 31 16.281 -0.202 -10.555
254 HE2 LYS 31 HE2 LYS 31 17.998 -1.913 -10.125
255 HE3 LYS 31 HE1 LYS 31 16.727 -3.081 -9.770
256 HZ1 LYS 31 HZ1 LYS 31 17.153 -1.710 -12.369
257 HZ2 LYS 31 HZ2 LYS 31 15.911 -2.806 -12.037
258 HZ3 LYS 31 HZ3 LYS 31 17.520 -3.322 -12.025
259 HN1 NH2 32 HN1 NH2 32 11.662 -1.263 -8.355
260 HN2 NH2 32 HN2 NH2 32 11.889 -2.375 -7.049