NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
23879 |
2jyv   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ALA 1 HT1 ALA 1 -7.331 7.731 1.147
2 HA ALA 1 HA ALA 1 -5.610 7.072 -0.554
3 HB1 ALA 1 HB1 ALA 1 -5.440 8.278 -2.406
4 HB2 ALA 1 HB2 ALA 1 -5.102 9.723 -1.453
5 HB3 ALA 1 HB3 ALA 1 -6.766 9.303 -1.857
6 H ILE 2 HN ILE 2 -4.395 6.786 1.243
7 HA ILE 2 HA ILE 2 -3.358 9.209 2.565
8 HB ILE 2 HB ILE 2 -2.797 7.163 4.313
9 HG12 ILE 2 2HG1 ILE 2 -5.672 6.741 3.537
10 HG13 ILE 2 1HG1 ILE 2 -4.393 5.793 2.788
11 HG21 ILE 2 1HG2 ILE 2 -4.945 8.118 5.480
12 HG22 ILE 2 2HG2 ILE 2 -4.888 9.277 4.152
13 HG23 ILE 2 3HG2 ILE 2 -3.516 9.125 5.251
14 HD11 ILE 2 3HD1 ILE 2 -5.569 4.771 4.778
15 HD12 ILE 2 1HD1 ILE 2 -4.722 5.964 5.763
16 HD13 ILE 2 2HD1 ILE 2 -3.806 4.786 4.822
17 H GLN 3 HN GLN 3 -1.156 8.945 3.506
18 HA GLN 3 HA GLN 3 0.571 7.687 1.529
19 HB2 GLN 3 HB2 GLN 3 0.858 9.844 3.542
20 HB3 GLN 3 HB1 GLN 3 2.300 8.898 3.201
21 HG2 GLN 3 HG2 GLN 3 2.652 10.042 1.348
22 HG3 GLN 3 HG1 GLN 3 1.060 9.596 0.735
23 HE21 GLN 3 1HE2 GLN 3 2.886 12.139 1.041
24 HE22 GLN 3 2HE2 GLN 3 1.735 13.359 1.456
25 H CYS 4 HN CYS 4 2.804 7.011 2.727
26 HA CYS 4 HA CYS 4 2.477 5.534 5.149
27 HB2 CYS 4 HB2 CYS 4 3.201 3.378 3.641
28 HB3 CYS 4 HB1 CYS 4 1.564 3.696 4.206
29 HA PRO 5 HA PRO 5 6.803 6.693 4.942
30 HB2 PRO 5 HB2 PRO 5 6.930 4.860 7.280
31 HB3 PRO 5 HB1 PRO 5 7.495 6.527 7.123
32 HG2 PRO 5 HG2 PRO 5 5.287 5.968 8.500
33 HG3 PRO 5 HG1 PRO 5 5.382 7.417 7.480
34 HD2 PRO 5 HD2 PRO 5 4.000 4.816 6.960
35 HD3 PRO 5 HD1 PRO 5 3.481 6.469 6.567
36 H ASP 6 HN ASP 6 8.907 5.552 4.912
37 HA ASP 6 HA ASP 6 10.308 4.012 4.004
38 HB2 ASP 6 HB2 ASP 6 8.243 2.099 5.112
39 HB3 ASP 6 HB1 ASP 6 9.824 1.618 4.503
40 H SER 7 HN SER 7 8.041 5.107 2.422
41 HA SER 7 HA SER 7 8.206 3.178 0.224
42 HG SER 7 HG SER 7 5.179 3.159 -0.915
43 HB2 SER 7 HB2 SER 7 6.054 2.624 0.902
44 HB3 SER 7 HB1 SER 7 5.700 4.256 1.466
45 H GLN 8 HN GLN 8 7.882 4.116 -1.878
46 HA GLN 8 HA GLN 8 8.485 6.995 -1.907
47 HB2 GLN 8 HB2 GLN 8 9.549 4.709 -3.358
48 HB3 GLN 8 HB1 GLN 8 9.047 6.001 -4.440
49 HG2 GLN 8 HG2 GLN 8 10.400 7.546 -2.912
50 HG3 GLN 8 HG1 GLN 8 11.115 6.065 -2.277
51 HE21 GLN 8 1HE2 GLN 8 10.294 7.433 -5.452
52 HE22 GLN 8 2HE2 GLN 8 11.799 7.037 -6.201
53 H PHE 9 HN PHE 9 5.912 5.055 -2.266
54 HA PHE 9 HA PHE 9 4.665 6.881 -4.201
55 HD1 PHE 9 HD2 PHE 9 4.010 2.817 -2.874
56 HD2 PHE 9 HD1 PHE 9 6.576 4.134 -6.004
57 HE1 PHE 9 HE2 PHE 9 5.429 0.835 -2.539
58 HE2 PHE 9 HE1 PHE 9 7.999 2.154 -5.675
59 HZ PHE 9 HZ PHE 9 7.427 0.502 -3.941
60 HB2 PHE 9 HB2 PHE 9 3.300 4.504 -4.577
61 HB3 PHE 9 HB1 PHE 9 4.502 5.188 -5.665
62 H GLU 10 HN GLU 10 2.160 6.447 -4.155
63 HA GLU 10 HA GLU 10 1.366 6.303 -1.321
64 HB2 GLU 10 HB2 GLU 10 0.007 7.909 -3.489
65 HB3 GLU 10 HB1 GLU 10 -0.348 7.940 -1.767
66 HG2 GLU 10 HG2 GLU 10 1.434 9.254 -1.277
67 HG3 GLU 10 HG1 GLU 10 2.410 8.619 -2.601
68 H CYS 11 HN CYS 11 -1.136 5.958 -1.191
69 HA CYS 11 HA CYS 11 -1.981 3.944 -3.152
70 HB2 CYS 11 HB2 CYS 11 -1.996 3.623 -0.146
71 HB3 CYS 11 HB1 CYS 11 -2.873 2.566 -1.247
72 HA PRO 12 HA PRO 12 -5.735 6.294 -2.768
73 HB2 PRO 12 HB2 PRO 12 -7.251 4.946 -4.500
74 HB3 PRO 12 HB1 PRO 12 -5.847 5.870 -5.048
75 HG2 PRO 12 HG2 PRO 12 -6.126 2.925 -4.618
76 HG3 PRO 12 HG1 PRO 12 -5.298 3.792 -5.922
77 HD2 PRO 12 HD2 PRO 12 -4.052 2.705 -3.698
78 HD3 PRO 12 HD1 PRO 12 -3.377 3.996 -4.710
79 H ASP 13 HN ASP 13 -8.215 5.672 -2.650
80 HA ASP 13 HA ASP 13 -8.537 4.197 -0.219
81 HB2 ASP 13 HB2 ASP 13 -10.040 6.110 -1.722
82 HB3 ASP 13 HB1 ASP 13 -11.067 4.715 -1.404
83 H PHE 14 HN PHE 14 -8.021 3.064 -3.179
84 HA PHE 14 HA PHE 14 -10.094 1.020 -3.213
85 HD1 PHE 14 HD1 PHE 14 -10.166 3.644 -5.052
86 HD2 PHE 14 HD2 PHE 14 -10.271 -0.353 -6.509
87 HE1 PHE 14 HE1 PHE 14 -12.209 4.164 -6.320
88 HE2 PHE 14 HE2 PHE 14 -12.314 0.160 -7.780
89 HZ PHE 14 HZ PHE 14 -13.286 2.421 -7.686
90 HB2 PHE 14 HB2 PHE 14 -8.104 2.061 -5.137
91 HB3 PHE 14 HB1 PHE 14 -8.459 0.341 -5.262
92 H SER 15 HN SER 15 -6.762 1.419 -2.336
93 HA SER 15 HA SER 15 -6.728 -1.281 -1.262
94 HG SER 15 HG SER 15 -5.440 -2.085 -4.450
95 HB2 SER 15 HB2 SER 15 -4.753 -0.316 -3.336
96 HB3 SER 15 HB1 SER 15 -4.454 -1.704 -2.290
97 H THR 16 HN THR 16 -5.348 -1.547 0.468
98 HA THR 16 HA THR 16 -4.413 0.903 1.698
99 HB THR 16 HB THR 16 -5.573 -0.653 3.132
100 HG1 THR 16 HG1 THR 16 -2.956 -1.071 4.014
101 HG21 THR 16 3HG2 THR 16 -3.462 -2.625 2.267
102 HG22 THR 16 1HG2 THR 16 -5.205 -2.741 2.028
103 HG23 THR 16 2HG2 THR 16 -4.526 -2.877 3.650
104 H CYS 17 HN CYS 17 -2.245 0.917 2.778
105 HA CYS 17 HA CYS 17 -0.230 0.176 0.836
106 HB2 CYS 17 HB2 CYS 17 -0.503 2.340 2.452
107 HB3 CYS 17 HB1 CYS 17 0.620 1.371 3.401
108 H CYS 18 HN CYS 18 0.529 -1.829 0.869
109 HA CYS 18 HA CYS 18 1.314 -2.981 3.459
110 HG CYS 18 HG CYS 18 0.031 -4.345 4.757
111 HB2 CYS 18 HB2 CYS 18 -0.706 -3.964 1.750
112 HB3 CYS 18 HB1 CYS 18 0.667 -5.050 1.565
113 H VAL 19 HN VAL 19 2.644 -5.163 2.785
114 HA VAL 19 HA VAL 19 4.636 -4.313 0.789
115 HB VAL 19 HB VAL 19 6.442 -5.028 2.162
116 HG11 VAL 19 1HG1 VAL 19 4.627 -3.006 3.002
117 HG12 VAL 19 2HG1 VAL 19 6.377 -3.073 3.209
118 HG13 VAL 19 3HG1 VAL 19 5.317 -3.765 4.437
119 HG21 VAL 19 3HG2 VAL 19 6.301 -6.574 3.763
120 HG22 VAL 19 1HG2 VAL 19 4.621 -6.793 3.273
121 HG23 VAL 19 2HG2 VAL 19 5.017 -5.699 4.597
122 H MET 20 HN MET 20 6.190 -6.271 0.340
123 HA MET 20 HA MET 20 4.532 -8.686 0.015
124 HB2 MET 20 HB2 MET 20 6.691 -8.050 -1.947
125 HB3 MET 20 HB1 MET 20 5.211 -8.970 -2.174
126 HG2 MET 20 HG2 MET 20 3.999 -7.151 -2.703
127 HG3 MET 20 HG1 MET 20 4.858 -6.112 -1.568
128 HE1 MET 20 HE1 MET 20 6.620 -8.026 -5.013
129 HE2 MET 20 HE2 MET 20 5.507 -6.978 -5.894
130 HE3 MET 20 HE3 MET 20 4.892 -8.082 -4.664
131 H VAL 21 HN VAL 21 6.037 -10.613 -0.638
132 HA VAL 21 HA VAL 21 7.830 -11.008 1.561
133 HB VAL 21 HB VAL 21 7.613 -12.862 -0.795
134 HG11 VAL 21 1HG1 VAL 21 9.262 -13.188 1.120
135 HG12 VAL 21 2HG1 VAL 21 8.214 -14.550 0.724
136 HG13 VAL 21 3HG1 VAL 21 7.854 -13.537 2.122
137 HG21 VAL 21 3HG2 VAL 21 5.338 -12.447 -0.327
138 HG22 VAL 21 1HG2 VAL 21 5.616 -12.440 1.414
139 HG23 VAL 21 2HG2 VAL 21 5.727 -13.950 0.510
140 H ASP 22 HN ASP 22 8.152 -10.206 -1.815
141 HA ASP 22 HA ASP 22 10.827 -10.902 -2.234
142 HB2 ASP 22 HB2 ASP 22 8.954 -9.968 -3.856
143 HB3 ASP 22 HB1 ASP 22 9.727 -8.427 -3.496
144 H GLY 23 HN GLY 23 9.443 -7.776 -1.226
145 HA2 GLY 23 HA2 GLY 23 10.813 -6.845 0.736
146 HA3 GLY 23 HA1 GLY 23 12.145 -6.934 -0.406
147 H SER 24 HN SER 24 8.986 -6.119 -1.558
148 HA SER 24 HA SER 24 9.775 -3.286 -1.719
149 HG SER 24 HG SER 24 8.859 -2.196 -3.831
150 HB2 SER 24 HB2 SER 24 9.727 -4.899 -3.887
151 HB3 SER 24 HB1 SER 24 8.050 -4.355 -3.879
152 H TRP 25 HN TRP 25 8.015 -1.768 -1.859
153 HA TRP 25 HA TRP 25 5.751 -2.609 -0.246
154 HD1 TRP 25 HD1 TRP 25 8.757 -0.801 0.837
155 HE1 TRP 25 HE1 TRP 25 8.658 -0.604 3.401
156 HE3 TRP 25 HE3 TRP 25 3.730 -0.059 1.402
157 HZ2 TRP 25 HZ2 TRP 25 6.708 -0.191 5.399
158 HZ3 TRP 25 HZ3 TRP 25 2.830 0.224 3.673
159 HH2 TRP 25 HH2 TRP 25 4.287 0.161 5.629
160 HB2 TRP 25 HB2 TRP 25 6.934 0.012 -1.055
161 HB3 TRP 25 HB1 TRP 25 5.244 -0.032 -0.564
162 H GLY 26 HN GLY 26 3.548 -1.875 -0.824
163 HA2 GLY 26 HA2 GLY 26 2.822 -1.106 -3.428
164 HA3 GLY 26 HA1 GLY 26 2.767 -2.860 -3.334
165 H CYS 27 HN CYS 27 0.568 -1.029 -3.775
166 HA CYS 27 HA CYS 27 -0.951 -1.025 -1.308
167 HB2 CYS 27 HB2 CYS 27 -2.025 -0.329 -4.033
168 HB3 CYS 27 HB1 CYS 27 -2.575 0.242 -2.461
169 H CYS 28 HN CYS 28 -1.994 -2.762 -0.634
170 HA CYS 28 HA CYS 28 -2.899 -4.741 -2.610
171 HG CYS 28 HG CYS 28 -1.919 -7.089 -2.506
172 HB2 CYS 28 HB2 CYS 28 -1.365 -5.169 -0.431
173 HB3 CYS 28 HB1 CYS 28 -2.959 -5.401 0.279
174 HA PRO 29 HA PRO 29 -7.145 -3.669 -2.014
175 HB2 PRO 29 HB2 PRO 29 -7.664 -6.592 -2.147
176 HB3 PRO 29 HB1 PRO 29 -8.337 -5.283 -3.125
177 HG2 PRO 29 HG2 PRO 29 -6.504 -6.932 -4.135
178 HG3 PRO 29 HG1 PRO 29 -6.490 -5.202 -4.526
179 HD2 PRO 29 HD2 PRO 29 -4.758 -6.732 -2.628
180 HD3 PRO 29 HD1 PRO 29 -4.330 -5.401 -3.723
181 H MET 30 HN MET 30 -8.345 -3.321 -0.245
182 HA MET 30 HA MET 30 -7.606 -4.283 2.280
183 HB2 MET 30 HB2 MET 30 -9.702 -2.573 1.174
184 HB3 MET 30 HB1 MET 30 -10.232 -3.478 2.585
185 HG2 MET 30 HG2 MET 30 -7.778 -2.543 3.362
186 HG3 MET 30 HG1 MET 30 -8.406 -1.221 2.380
187 HE1 MET 30 HE1 MET 30 -9.308 0.751 3.938
188 HE2 MET 30 HE2 MET 30 -7.927 -0.027 4.712
189 HE3 MET 30 HE3 MET 30 -9.353 0.389 5.664
190 HA PRO 31 HA PRO 31 -9.620 -8.216 2.469
191 HB2 PRO 31 HB2 PRO 31 -9.845 -8.525 5.142
192 HB3 PRO 31 HB1 PRO 31 -8.290 -8.618 4.307
193 HG2 PRO 31 HG2 PRO 31 -9.495 -6.329 5.817
194 HG3 PRO 31 HG1 PRO 31 -7.831 -6.941 5.856
195 HD2 PRO 31 HD2 PRO 31 -8.563 -4.763 4.412
196 HD3 PRO 31 HD1 PRO 31 -7.250 -5.850 3.914
197 H GLN 32 HN GLN 32 -11.677 -8.480 1.878
198 HA GLN 32 HA GLN 32 -13.784 -6.977 3.243
199 HB2 GLN 32 HB2 GLN 32 -13.380 -7.532 0.581
200 HB3 GLN 32 HB1 GLN 32 -14.582 -8.733 1.034
201 HG2 GLN 32 HG2 GLN 32 -16.183 -7.157 1.504
202 HG3 GLN 32 HG1 GLN 32 -14.998 -5.893 1.827
203 HE21 GLN 32 1HE2 GLN 32 -15.039 -4.349 0.377
204 HE22 GLN 32 2HE2 GLN 32 -15.360 -4.534 -1.311
Start of MODEL 2
1 H ALA 1 HT1 ALA 1 -6.508 9.593 0.508
2 HA ALA 1 HA ALA 1 -5.131 8.044 -1.063
3 HB1 ALA 1 HB1 ALA 1 -5.412 10.629 -2.574
4 HB2 ALA 1 HB2 ALA 1 -5.747 8.994 -3.141
5 HB3 ALA 1 HB3 ALA 1 -4.085 9.497 -2.838
6 H ILE 2 HN ILE 2 -4.275 8.229 1.101
7 HA ILE 2 HA ILE 2 -2.491 10.533 1.503
8 HB ILE 2 HB ILE 2 -3.327 8.509 3.578
9 HG12 ILE 2 2HG1 ILE 2 -5.304 9.705 2.761
10 HG13 ILE 2 1HG1 ILE 2 -4.903 10.212 4.397
11 HG21 ILE 2 1HG2 ILE 2 -2.298 9.843 5.153
12 HG22 ILE 2 2HG2 ILE 2 -2.352 11.278 4.129
13 HG23 ILE 2 3HG2 ILE 2 -1.202 9.987 3.779
14 HD11 ILE 2 3HD1 ILE 2 -5.582 12.054 2.875
15 HD12 ILE 2 1HD1 ILE 2 -4.125 11.743 1.930
16 HD13 ILE 2 2HD1 ILE 2 -3.993 12.268 3.608
17 H GLN 3 HN GLN 3 -0.326 10.270 1.739
18 HA GLN 3 HA GLN 3 0.809 7.776 0.861
19 HB2 GLN 3 HB2 GLN 3 2.531 9.953 1.941
20 HB3 GLN 3 HB1 GLN 3 2.766 8.932 0.530
21 HG2 GLN 3 HG2 GLN 3 1.570 10.297 -0.838
22 HG3 GLN 3 HG1 GLN 3 0.531 10.877 0.463
23 HE21 GLN 3 1HE2 GLN 3 1.065 12.914 -0.766
24 HE22 GLN 3 2HE2 GLN 3 2.449 13.803 -0.234
25 H CYS 4 HN CYS 4 1.476 6.158 2.103
26 HA CYS 4 HA CYS 4 1.206 6.205 4.916
27 HB2 CYS 4 HB2 CYS 4 2.511 4.247 3.027
28 HB3 CYS 4 HB1 CYS 4 2.432 3.977 4.765
29 HA PRO 5 HA PRO 5 4.965 7.798 6.568
30 HB2 PRO 5 HB2 PRO 5 5.283 5.204 8.004
31 HB3 PRO 5 HB1 PRO 5 5.317 6.853 8.639
32 HG2 PRO 5 HG2 PRO 5 3.182 5.311 9.004
33 HG3 PRO 5 HG1 PRO 5 3.002 7.038 8.645
34 HD2 PRO 5 HD2 PRO 5 2.591 4.677 6.867
35 HD3 PRO 5 HD1 PRO 5 1.708 6.216 6.923
36 H ASP 6 HN ASP 6 5.199 4.335 5.760
37 HA ASP 6 HA ASP 6 7.976 4.725 4.926
38 HB2 ASP 6 HB2 ASP 6 6.770 2.684 6.317
39 HB3 ASP 6 HB1 ASP 6 6.849 2.024 4.687
40 H SER 7 HN SER 7 7.968 2.483 3.104
41 HA SER 7 HA SER 7 7.787 2.069 0.880
42 HG SER 7 HG SER 7 4.517 3.469 -0.360
43 HB2 SER 7 HB2 SER 7 5.660 1.787 0.137
44 HB3 SER 7 HB1 SER 7 5.237 2.181 1.803
45 H GLN 8 HN GLN 8 6.915 3.311 -1.298
46 HA GLN 8 HA GLN 8 7.854 6.089 -1.149
47 HB2 GLN 8 HB2 GLN 8 8.859 3.939 -3.010
48 HB3 GLN 8 HB1 GLN 8 9.078 5.654 -3.338
49 HG2 GLN 8 HG2 GLN 8 10.946 5.563 -2.162
50 HG3 GLN 8 HG1 GLN 8 9.964 5.301 -0.722
51 HE21 GLN 8 1HE2 GLN 8 10.871 3.309 -3.518
52 HE22 GLN 8 2HE2 GLN 8 11.471 1.980 -2.593
53 H PHE 9 HN PHE 9 5.457 4.024 -2.032
54 HA PHE 9 HA PHE 9 4.613 5.656 -4.328
55 HD1 PHE 9 HD1 PHE 9 5.679 3.703 -6.252
56 HD2 PHE 9 HD2 PHE 9 4.662 1.490 -2.763
57 HE1 PHE 9 HE1 PHE 9 7.539 2.154 -6.697
58 HE2 PHE 9 HE2 PHE 9 6.521 -0.061 -3.201
59 HZ PHE 9 HZ PHE 9 7.961 0.269 -5.169
60 HB2 PHE 9 HB2 PHE 9 3.206 3.133 -3.560
61 HB3 PHE 9 HB1 PHE 9 3.420 3.853 -5.152
62 H GLU 10 HN GLU 10 2.081 5.671 -4.474
63 HA GLU 10 HA GLU 10 0.994 6.379 -1.832
64 HB2 GLU 10 HB2 GLU 10 0.448 7.843 -4.420
65 HB3 GLU 10 HB1 GLU 10 -0.189 8.254 -2.834
66 HG2 GLU 10 HG2 GLU 10 1.900 8.977 -2.060
67 HG3 GLU 10 HG1 GLU 10 2.756 8.198 -3.389
68 H CYS 11 HN CYS 11 -0.477 4.874 -1.387
69 HA CYS 11 HA CYS 11 -1.981 3.572 -3.490
70 HB2 CYS 11 HB2 CYS 11 -2.128 3.219 -0.489
71 HB3 CYS 11 HB1 CYS 11 -2.876 2.172 -1.690
72 HA PRO 12 HA PRO 12 -5.602 6.077 -3.018
73 HB2 PRO 12 HB2 PRO 12 -7.423 4.549 -4.232
74 HB3 PRO 12 HB1 PRO 12 -6.063 5.233 -5.131
75 HG2 PRO 12 HG2 PRO 12 -6.441 2.457 -4.088
76 HG3 PRO 12 HG1 PRO 12 -5.754 2.990 -5.632
77 HD2 PRO 12 HD2 PRO 12 -4.277 2.246 -3.407
78 HD3 PRO 12 HD1 PRO 12 -3.675 3.256 -4.736
79 H ASP 13 HN ASP 13 -8.101 5.638 -2.500
80 HA ASP 13 HA ASP 13 -8.157 4.753 0.220
81 HB2 ASP 13 HB2 ASP 13 -9.736 6.422 -1.433
82 HB3 ASP 13 HB1 ASP 13 -10.794 5.147 -0.834
83 H PHE 14 HN PHE 14 -7.981 2.918 -2.377
84 HA PHE 14 HA PHE 14 -10.069 1.016 -1.577
85 HD1 PHE 14 HD2 PHE 14 -11.878 1.694 -3.262
86 HD2 PHE 14 HD1 PHE 14 -8.341 2.633 -5.434
87 HE1 PHE 14 HE2 PHE 14 -13.068 3.520 -4.403
88 HE2 PHE 14 HE1 PHE 14 -9.525 4.460 -6.579
89 HZ PHE 14 HZ PHE 14 -11.892 4.906 -6.065
90 HB2 PHE 14 HB2 PHE 14 -8.333 0.821 -4.034
91 HB3 PHE 14 HB1 PHE 14 -9.867 0.015 -3.721
92 H SER 15 HN SER 15 -6.586 1.236 -2.210
93 HA SER 15 HA SER 15 -6.249 -1.270 -0.694
94 HG SER 15 HG SER 15 -6.020 -1.450 -4.011
95 HB2 SER 15 HB2 SER 15 -4.626 -0.225 -3.023
96 HB3 SER 15 HB1 SER 15 -4.141 -1.596 -2.023
97 H THR 16 HN THR 16 -4.325 -1.451 0.582
98 HA THR 16 HA THR 16 -3.413 1.155 1.586
99 HB THR 16 HB THR 16 -4.463 -0.194 3.298
100 HG1 THR 16 HG1 THR 16 -2.403 0.984 3.725
101 HG21 THR 16 3HG2 THR 16 -3.946 -2.401 3.790
102 HG22 THR 16 1HG2 THR 16 -2.365 -2.310 3.017
103 HG23 THR 16 2HG2 THR 16 -3.825 -2.378 2.031
104 H CYS 17 HN CYS 17 -1.149 1.216 2.410
105 HA CYS 17 HA CYS 17 0.630 0.154 0.387
106 HB2 CYS 17 HB2 CYS 17 1.802 1.612 2.665
107 HB3 CYS 17 HB1 CYS 17 2.030 1.851 0.936
108 H CYS 18 HN CYS 18 0.950 -1.998 0.710
109 HA CYS 18 HA CYS 18 2.037 -2.797 3.329
110 HG CYS 18 HG CYS 18 -1.055 -4.773 4.026
111 HB2 CYS 18 HB2 CYS 18 -0.110 -3.900 1.807
112 HB3 CYS 18 HB1 CYS 18 1.194 -5.083 1.853
113 H VAL 19 HN VAL 19 3.391 -4.892 3.090
114 HA VAL 19 HA VAL 19 5.389 -4.366 1.008
115 HB VAL 19 HB VAL 19 5.802 -6.245 3.314
116 HG11 VAL 19 1HG1 VAL 19 7.518 -4.735 1.396
117 HG12 VAL 19 2HG1 VAL 19 7.595 -6.428 1.884
118 HG13 VAL 19 3HG1 VAL 19 8.158 -5.168 2.982
119 HG21 VAL 19 3HG2 VAL 19 5.441 -3.351 3.442
120 HG22 VAL 19 1HG2 VAL 19 6.970 -3.901 4.127
121 HG23 VAL 19 2HG2 VAL 19 5.447 -4.551 4.734
122 H MET 20 HN MET 20 6.316 -6.092 -0.190
123 HA MET 20 HA MET 20 4.440 -8.301 -0.630
124 HB2 MET 20 HB2 MET 20 6.756 -7.590 -2.414
125 HB3 MET 20 HB1 MET 20 5.300 -8.486 -2.820
126 HG2 MET 20 HG2 MET 20 5.541 -5.538 -2.281
127 HG3 MET 20 HG1 MET 20 5.165 -6.324 -3.814
128 HE1 MET 20 HE1 MET 20 1.690 -7.183 -3.879
129 HE2 MET 20 HE2 MET 20 2.464 -8.451 -2.927
130 HE3 MET 20 HE3 MET 20 3.330 -7.703 -4.271
131 H VAL 21 HN VAL 21 5.637 -10.348 -1.508
132 HA VAL 21 HA VAL 21 7.229 -11.332 0.649
133 HB VAL 21 HB VAL 21 7.127 -12.868 -1.891
134 HG11 VAL 21 1HG1 VAL 21 6.920 -13.424 1.043
135 HG12 VAL 21 2HG1 VAL 21 8.076 -14.049 -0.133
136 HG13 VAL 21 3HG1 VAL 21 6.409 -14.627 -0.142
137 HG21 VAL 21 3HG2 VAL 21 4.919 -11.920 -1.931
138 HG22 VAL 21 1HG2 VAL 21 4.680 -12.292 -0.224
139 HG23 VAL 21 2HG2 VAL 21 4.799 -13.598 -1.402
140 H ASP 22 HN ASP 22 7.891 -9.989 -2.479
141 HA ASP 22 HA ASP 22 10.529 -11.004 -2.780
142 HB2 ASP 22 HB2 ASP 22 9.241 -8.551 -3.997
143 HB3 ASP 22 HB1 ASP 22 10.761 -9.268 -4.522
144 H GLY 23 HN GLY 23 9.151 -8.233 -1.156
145 HA2 GLY 23 HA2 GLY 23 10.570 -7.504 0.780
146 HA3 GLY 23 HA1 GLY 23 11.877 -7.388 -0.389
147 H SER 24 HN SER 24 10.030 -6.313 -2.452
148 HA SER 24 HA SER 24 10.366 -3.550 -1.827
149 HG SER 24 HG SER 24 7.843 -4.566 -4.503
150 HB2 SER 24 HB2 SER 24 9.332 -3.146 -4.020
151 HB3 SER 24 HB1 SER 24 10.570 -4.397 -4.130
152 H TRP 25 HN TRP 25 8.414 -2.033 -2.347
153 HA TRP 25 HA TRP 25 6.246 -2.853 -0.551
154 HD1 TRP 25 HD1 TRP 25 9.372 -0.677 0.307
155 HE1 TRP 25 HE1 TRP 25 9.487 -0.648 2.878
156 HE3 TRP 25 HE3 TRP 25 4.368 -0.827 1.346
157 HZ2 TRP 25 HZ2 TRP 25 7.694 -0.683 5.057
158 HZ3 TRP 25 HZ3 TRP 25 3.652 -0.827 3.699
159 HH2 TRP 25 HH2 TRP 25 5.283 -0.757 5.516
160 HB2 TRP 25 HB2 TRP 25 7.363 -0.200 -1.392
161 HB3 TRP 25 HB1 TRP 25 5.723 -0.298 -0.760
162 H GLY 26 HN GLY 26 4.035 -2.070 -1.092
163 HA2 GLY 26 HA2 GLY 26 3.316 -1.302 -3.710
164 HA3 GLY 26 HA1 GLY 26 3.190 -3.049 -3.575
165 H CYS 27 HN CYS 27 0.970 -1.562 -4.153
166 HA CYS 27 HA CYS 27 -0.506 -1.199 -1.663
167 HB2 CYS 27 HB2 CYS 27 -1.382 -0.705 -4.514
168 HB3 CYS 27 HB1 CYS 27 -2.262 -0.238 -3.064
169 H CYS 28 HN CYS 28 -1.926 -2.618 -0.884
170 HA CYS 28 HA CYS 28 -2.865 -4.780 -2.648
171 HG CYS 28 HG CYS 28 -0.266 -5.984 -2.432
172 HB2 CYS 28 HB2 CYS 28 -1.454 -4.939 -0.061
173 HB3 CYS 28 HB1 CYS 28 -2.865 -5.982 -0.207
174 HA PRO 29 HA PRO 29 -6.920 -3.453 -1.452
175 HB2 PRO 29 HB2 PRO 29 -8.216 -5.866 -1.785
176 HB3 PRO 29 HB1 PRO 29 -7.854 -4.734 -3.091
177 HG2 PRO 29 HG2 PRO 29 -6.373 -7.192 -2.248
178 HG3 PRO 29 HG1 PRO 29 -6.733 -6.604 -3.883
179 HD2 PRO 29 HD2 PRO 29 -4.308 -6.286 -2.790
180 HD3 PRO 29 HD1 PRO 29 -5.024 -5.034 -3.829
181 H MET 30 HN MET 30 -8.080 -3.362 0.395
182 HA MET 30 HA MET 30 -7.227 -5.092 2.593
183 HB2 MET 30 HB2 MET 30 -7.951 -2.333 2.361
184 HB3 MET 30 HB1 MET 30 -9.056 -3.111 3.486
185 HG2 MET 30 HG2 MET 30 -6.806 -4.093 4.460
186 HG3 MET 30 HG1 MET 30 -6.134 -2.651 3.702
187 HE1 MET 30 HE1 MET 30 -6.715 -0.502 3.985
188 HE2 MET 30 HE2 MET 30 -6.207 -0.154 5.638
189 HE3 MET 30 HE3 MET 30 -7.851 0.223 5.123
190 HA PRO 31 HA PRO 31 -10.828 -7.642 2.622
191 HB2 PRO 31 HB2 PRO 31 -10.822 -7.186 5.567
192 HB3 PRO 31 HB1 PRO 31 -10.856 -8.705 4.663
193 HG2 PRO 31 HG2 PRO 31 -8.619 -7.891 5.848
194 HG3 PRO 31 HG1 PRO 31 -8.571 -8.662 4.252
195 HD2 PRO 31 HD2 PRO 31 -8.286 -5.779 4.973
196 HD3 PRO 31 HD1 PRO 31 -7.462 -6.714 3.710
197 H GLN 32 HN GLN 32 -12.420 -6.409 1.687
198 HA GLN 32 HA GLN 32 -14.278 -5.114 1.507
199 HB2 GLN 32 HB2 GLN 32 -14.703 -6.799 3.583
200 HB3 GLN 32 HB1 GLN 32 -14.910 -5.252 4.391
201 HG2 GLN 32 HG2 GLN 32 -17.052 -5.748 3.717
202 HG3 GLN 32 HG1 GLN 32 -16.484 -4.702 2.417
203 HE21 GLN 32 1HE2 GLN 32 -15.832 -8.118 3.060
204 HE22 GLN 32 2HE2 GLN 32 -16.475 -8.703 1.568
Start of MODEL 3
1 H ALA 1 HT1 ALA 1 -6.572 8.562 -0.919
2 HA ALA 1 HA ALA 1 -5.473 10.163 0.536
3 HB1 ALA 1 HB1 ALA 1 -4.768 9.541 2.543
4 HB2 ALA 1 HB2 ALA 1 -3.612 8.434 1.803
5 HB3 ALA 1 HB3 ALA 1 -5.239 7.877 2.194
6 H ILE 2 HN ILE 2 -2.869 10.271 0.621
7 HA ILE 2 HA ILE 2 -1.767 8.906 -1.724
8 HB ILE 2 HB ILE 2 -0.735 11.529 -1.829
9 HG12 ILE 2 2HG1 ILE 2 -3.173 12.478 -2.510
10 HG13 ILE 2 1HG1 ILE 2 -3.623 11.436 -1.164
11 HG21 ILE 2 1HG2 ILE 2 -2.717 10.145 -3.630
12 HG22 ILE 2 2HG2 ILE 2 -0.963 9.966 -3.691
13 HG23 ILE 2 3HG2 ILE 2 -1.703 11.522 -4.064
14 HD11 ILE 2 3HD1 ILE 2 -1.376 12.907 -0.330
15 HD12 ILE 2 1HD1 ILE 2 -3.044 13.053 0.223
16 HD13 ILE 2 2HD1 ILE 2 -2.473 14.041 -1.121
17 H GLN 3 HN GLN 3 -0.923 7.894 0.405
18 HA GLN 3 HA GLN 3 1.806 8.663 0.667
19 HB2 GLN 3 HB2 GLN 3 0.050 9.980 2.397
20 HB3 GLN 3 HB1 GLN 3 0.765 8.703 3.372
21 HG2 GLN 3 HG2 GLN 3 3.008 9.506 2.657
22 HG3 GLN 3 HG1 GLN 3 2.213 10.861 1.858
23 HE21 GLN 3 1HE2 GLN 3 4.030 10.391 4.325
24 HE22 GLN 3 2HE2 GLN 3 3.301 11.388 5.531
25 H CYS 4 HN CYS 4 2.673 7.388 2.803
26 HA CYS 4 HA CYS 4 1.357 4.911 3.339
27 HB2 CYS 4 HB2 CYS 4 3.351 5.057 1.167
28 HB3 CYS 4 HB1 CYS 4 3.610 3.760 2.331
29 HA PRO 5 HA PRO 5 3.686 4.899 7.072
30 HB2 PRO 5 HB2 PRO 5 4.606 2.171 6.252
31 HB3 PRO 5 HB1 PRO 5 3.960 2.720 7.803
32 HG2 PRO 5 HG2 PRO 5 2.430 1.361 6.099
33 HG3 PRO 5 HG1 PRO 5 1.768 2.704 7.048
34 HD2 PRO 5 HD2 PRO 5 2.437 2.580 4.157
35 HD3 PRO 5 HD1 PRO 5 1.208 3.547 4.994
36 H ASP 6 HN ASP 6 5.673 2.819 4.974
37 HA ASP 6 HA ASP 6 7.807 4.833 5.066
38 HB2 ASP 6 HB2 ASP 6 8.402 1.909 5.480
39 HB3 ASP 6 HB1 ASP 6 9.451 3.294 5.774
40 H SER 7 HN SER 7 6.044 4.247 2.933
41 HA SER 7 HA SER 7 7.839 2.907 1.020
42 HG SER 7 HG SER 7 5.627 3.227 -1.192
43 HB2 SER 7 HB2 SER 7 6.049 1.722 0.383
44 HB3 SER 7 HB1 SER 7 5.024 2.619 1.504
45 H GLN 8 HN GLN 8 7.561 3.764 -1.275
46 HA GLN 8 HA GLN 8 7.732 6.686 -1.154
47 HB2 GLN 8 HB2 GLN 8 8.890 6.492 -3.334
48 HB3 GLN 8 HB1 GLN 8 9.690 5.586 -2.056
49 HG2 GLN 8 HG2 GLN 8 7.804 3.897 -3.382
50 HG3 GLN 8 HG1 GLN 8 8.853 4.666 -4.572
51 HE21 GLN 8 1HE2 GLN 8 8.677 2.484 -1.885
52 HE22 GLN 8 2HE2 GLN 8 10.268 1.830 -2.044
53 H PHE 9 HN PHE 9 5.704 4.183 -2.261
54 HA PHE 9 HA PHE 9 4.472 5.734 -4.373
55 HD1 PHE 9 HD1 PHE 9 5.712 3.819 -5.975
56 HD2 PHE 9 HD2 PHE 9 4.546 1.534 -2.579
57 HE1 PHE 9 HE1 PHE 9 7.592 2.282 -6.367
58 HE2 PHE 9 HE2 PHE 9 6.425 -0.006 -2.965
59 HZ PHE 9 HZ PHE 9 7.951 0.366 -4.860
60 HB2 PHE 9 HB2 PHE 9 3.203 3.264 -3.277
61 HB3 PHE 9 HB1 PHE 9 3.310 3.823 -4.941
62 H GLU 10 HN GLU 10 1.864 5.461 -4.218
63 HA GLU 10 HA GLU 10 0.876 6.146 -1.581
64 HB2 GLU 10 HB2 GLU 10 -0.259 8.225 -2.826
65 HB3 GLU 10 HB1 GLU 10 1.274 8.352 -1.975
66 HG2 GLU 10 HG2 GLU 10 1.454 7.562 -4.803
67 HG3 GLU 10 HG1 GLU 10 0.864 9.194 -4.497
68 H CYS 11 HN CYS 11 -0.933 5.032 -1.360
69 HA CYS 11 HA CYS 11 -2.607 4.568 -3.740
70 HB2 CYS 11 HB2 CYS 11 -1.518 2.734 -1.900
71 HB3 CYS 11 HB1 CYS 11 -3.241 2.811 -1.542
72 HA PRO 12 HA PRO 12 -5.864 6.711 -1.645
73 HB2 PRO 12 HB2 PRO 12 -8.017 5.836 -2.954
74 HB3 PRO 12 HB1 PRO 12 -6.762 6.764 -3.786
75 HG2 PRO 12 HG2 PRO 12 -7.240 3.809 -3.775
76 HG3 PRO 12 HG1 PRO 12 -6.810 4.869 -5.130
77 HD2 PRO 12 HD2 PRO 12 -5.013 3.309 -3.727
78 HD3 PRO 12 HD1 PRO 12 -4.580 4.758 -4.654
79 H ASP 13 HN ASP 13 -8.184 6.265 -0.740
80 HA ASP 13 HA ASP 13 -7.929 4.508 1.437
81 HB2 ASP 13 HB2 ASP 13 -9.641 6.567 0.732
82 HB3 ASP 13 HB1 ASP 13 -10.694 5.155 0.752
83 H PHE 14 HN PHE 14 -8.872 3.932 -1.788
84 HA PHE 14 HA PHE 14 -10.686 1.818 -1.488
85 HD1 PHE 14 HD2 PHE 14 -12.364 2.015 -3.262
86 HD2 PHE 14 HD1 PHE 14 -9.125 4.421 -4.616
87 HE1 PHE 14 HE2 PHE 14 -13.963 3.669 -4.134
88 HE2 PHE 14 HE1 PHE 14 -10.719 6.080 -5.490
89 HZ PHE 14 HZ PHE 14 -13.140 5.705 -5.251
90 HB2 PHE 14 HB2 PHE 14 -8.674 2.385 -3.673
91 HB3 PHE 14 HB1 PHE 14 -9.909 1.136 -3.779
92 H SER 15 HN SER 15 -7.166 1.893 -1.459
93 HA SER 15 HA SER 15 -7.183 -0.892 -0.514
94 HG SER 15 HG SER 15 -6.133 -0.920 -3.973
95 HB2 SER 15 HB2 SER 15 -5.157 0.285 -2.429
96 HB3 SER 15 HB1 SER 15 -5.158 -1.360 -1.797
97 H THR 16 HN THR 16 -4.647 -1.314 0.143
98 HA THR 16 HA THR 16 -3.836 0.933 1.858
99 HB THR 16 HB THR 16 -5.010 -0.583 3.318
100 HG1 THR 16 HG1 THR 16 -3.405 -0.066 4.601
101 HG21 THR 16 3HG2 THR 16 -3.162 -2.850 2.885
102 HG22 THR 16 1HG2 THR 16 -4.360 -2.565 1.622
103 HG23 THR 16 2HG2 THR 16 -4.880 -2.847 3.283
104 H CYS 17 HN CYS 17 -1.593 0.414 2.861
105 HA CYS 17 HA CYS 17 0.184 -0.157 0.647
106 HB2 CYS 17 HB2 CYS 17 0.288 1.610 2.743
107 HB3 CYS 17 HB1 CYS 17 1.389 0.347 3.282
108 H CYS 18 HN CYS 18 0.621 -2.225 0.226
109 HA CYS 18 HA CYS 18 0.937 -4.105 2.458
110 HG CYS 18 HG CYS 18 0.025 -7.388 0.597
111 HB2 CYS 18 HB2 CYS 18 -0.486 -4.366 0.135
112 HB3 CYS 18 HB1 CYS 18 1.019 -5.178 -0.279
113 H VAL 19 HN VAL 19 2.700 -5.635 2.410
114 HA VAL 19 HA VAL 19 5.064 -4.639 0.956
115 HB VAL 19 HB VAL 19 5.398 -6.004 3.591
116 HG11 VAL 19 1HG1 VAL 19 7.162 -5.102 1.782
117 HG12 VAL 19 2HG1 VAL 19 7.499 -5.177 3.511
118 HG13 VAL 19 3HG1 VAL 19 6.991 -3.656 2.777
119 HG21 VAL 19 3HG2 VAL 19 5.165 -3.040 3.589
120 HG22 VAL 19 1HG2 VAL 19 4.890 -4.194 4.892
121 HG23 VAL 19 2HG2 VAL 19 3.681 -3.993 3.623
122 H MET 20 HN MET 20 5.815 -6.090 -0.429
123 HA MET 20 HA MET 20 5.028 -8.865 -0.238
124 HB2 MET 20 HB2 MET 20 6.958 -7.760 -2.260
125 HB3 MET 20 HB1 MET 20 5.851 -9.116 -2.425
126 HG2 MET 20 HG2 MET 20 4.934 -6.270 -2.125
127 HG3 MET 20 HG1 MET 20 5.237 -7.035 -3.684
128 HE1 MET 20 HE1 MET 20 1.681 -6.262 -3.272
129 HE2 MET 20 HE2 MET 20 2.000 -7.402 -4.580
130 HE3 MET 20 HE3 MET 20 3.164 -6.128 -4.218
131 H VAL 21 HN VAL 21 6.501 -10.638 -0.220
132 HA VAL 21 HA VAL 21 8.636 -10.307 1.637
133 HB VAL 21 HB VAL 21 8.317 -12.779 -0.031
134 HG11 VAL 21 1HG1 VAL 21 10.059 -13.094 1.433
135 HG12 VAL 21 2HG1 VAL 21 8.709 -13.701 2.392
136 HG13 VAL 21 3HG1 VAL 21 9.338 -12.079 2.681
137 HG21 VAL 21 3HG2 VAL 21 6.084 -12.564 0.479
138 HG22 VAL 21 1HG2 VAL 21 6.399 -11.695 1.982
139 HG23 VAL 21 2HG2 VAL 21 6.669 -13.436 1.896
140 H ASP 22 HN ASP 22 8.461 -9.732 -1.634
141 HA ASP 22 HA ASP 22 10.951 -10.720 -2.545
142 HB2 ASP 22 HB2 ASP 22 9.234 -8.436 -3.541
143 HB3 ASP 22 HB1 ASP 22 10.653 -9.045 -4.389
144 H GLY 23 HN GLY 23 10.120 -8.128 -0.494
145 HA2 GLY 23 HA2 GLY 23 11.840 -7.062 0.803
146 HA3 GLY 23 HA1 GLY 23 12.906 -7.179 -0.588
147 H SER 24 HN SER 24 9.928 -6.275 -1.703
148 HA SER 24 HA SER 24 10.651 -3.421 -1.581
149 HG SER 24 HG SER 24 11.438 -4.974 -4.304
150 HB2 SER 24 HB2 SER 24 8.853 -4.183 -3.759
151 HB3 SER 24 HB1 SER 24 10.342 -3.237 -3.806
152 H TRP 25 HN TRP 25 8.580 -2.062 -2.235
153 HA TRP 25 HA TRP 25 6.446 -2.925 -0.401
154 HD1 TRP 25 HD1 TRP 25 9.414 -1.091 0.771
155 HE1 TRP 25 HE1 TRP 25 9.290 -1.004 3.340
156 HE3 TRP 25 HE3 TRP 25 4.367 -0.491 1.319
157 HZ2 TRP 25 HZ2 TRP 25 7.312 -0.720 5.336
158 HZ3 TRP 25 HZ3 TRP 25 3.438 -0.321 3.591
159 HH2 TRP 25 HH2 TRP 25 4.883 -0.434 5.558
160 HB2 TRP 25 HB2 TRP 25 7.590 -0.257 -1.104
161 HB3 TRP 25 HB1 TRP 25 5.897 -0.345 -0.628
162 H GLY 26 HN GLY 26 4.230 -2.210 -0.962
163 HA2 GLY 26 HA2 GLY 26 3.628 -1.494 -3.670
164 HA3 GLY 26 HA1 GLY 26 3.343 -3.201 -3.363
165 H CYS 27 HN CYS 27 1.142 -2.241 -4.061
166 HA CYS 27 HA CYS 27 -0.315 -1.477 -1.616
167 HB2 CYS 27 HB2 CYS 27 -0.255 0.397 -3.190
168 HB3 CYS 27 HB1 CYS 27 -0.905 -0.633 -4.461
169 H CYS 28 HN CYS 28 -2.252 -2.502 -1.201
170 HA CYS 28 HA CYS 28 -3.303 -4.398 -3.145
171 HG CYS 28 HG CYS 28 -1.231 -6.506 -3.324
172 HB2 CYS 28 HB2 CYS 28 -1.642 -5.210 -0.958
173 HB3 CYS 28 HB1 CYS 28 -3.276 -5.803 -0.681
174 HA PRO 29 HA PRO 29 -7.064 -2.682 -1.483
175 HB2 PRO 29 HB2 PRO 29 -8.305 -5.100 -2.660
176 HB3 PRO 29 HB1 PRO 29 -8.660 -3.395 -2.957
177 HG2 PRO 29 HG2 PRO 29 -7.375 -4.867 -4.774
178 HG3 PRO 29 HG1 PRO 29 -6.946 -3.169 -4.496
179 HD2 PRO 29 HD2 PRO 29 -5.558 -5.653 -3.565
180 HD3 PRO 29 HD1 PRO 29 -4.865 -4.134 -4.173
181 H MET 30 HN MET 30 -8.347 -2.999 0.286
182 HA MET 30 HA MET 30 -7.595 -5.047 2.122
183 HB2 MET 30 HB2 MET 30 -9.616 -2.830 2.144
184 HB3 MET 30 HB1 MET 30 -9.631 -4.052 3.409
185 HG2 MET 30 HG2 MET 30 -7.256 -2.342 2.710
186 HG3 MET 30 HG1 MET 30 -8.392 -2.006 4.015
187 HE1 MET 30 HE1 MET 30 -7.200 -2.134 6.169
188 HE2 MET 30 HE2 MET 30 -5.736 -1.929 5.206
189 HE3 MET 30 HE3 MET 30 -5.792 -3.150 6.477
190 HA PRO 31 HA PRO 31 -10.533 -8.082 0.681
191 HB2 PRO 31 HB2 PRO 31 -10.129 -9.938 2.595
192 HB3 PRO 31 HB1 PRO 31 -8.945 -9.633 1.317
193 HG2 PRO 31 HG2 PRO 31 -8.974 -8.643 4.145
194 HG3 PRO 31 HG1 PRO 31 -7.622 -9.306 3.208
195 HD2 PRO 31 HD2 PRO 31 -7.996 -6.640 3.565
196 HD3 PRO 31 HD1 PRO 31 -7.249 -7.320 2.105
197 H GLN 32 HN GLN 32 -12.405 -9.309 1.568
198 HA GLN 32 HA GLN 32 -13.538 -8.565 4.078
199 HB2 GLN 32 HB2 GLN 32 -15.603 -7.506 2.953
200 HB3 GLN 32 HB1 GLN 32 -14.166 -6.514 3.155
201 HG2 GLN 32 HG2 GLN 32 -14.087 -6.124 0.984
202 HG3 GLN 32 HG1 GLN 32 -14.014 -7.852 0.644
203 HE21 GLN 32 1HE2 GLN 32 -15.964 -5.032 0.686
204 HE22 GLN 32 2HE2 GLN 32 -17.397 -5.741 0.030
Start of MODEL 4
1 H ALA 1 HT1 ALA 1 -6.591 9.567 -2.358
2 HA ALA 1 HA ALA 1 -3.925 8.501 -2.840
3 HB1 ALA 1 HB1 ALA 1 -4.984 10.509 -3.974
4 HB2 ALA 1 HB2 ALA 1 -3.377 10.747 -3.285
5 HB3 ALA 1 HB3 ALA 1 -4.800 11.347 -2.432
6 H ILE 2 HN ILE 2 -4.100 7.383 -0.637
7 HA ILE 2 HA ILE 2 -3.722 9.144 1.642
8 HB ILE 2 HB ILE 2 -3.245 6.229 1.921
9 HG12 ILE 2 2HG1 ILE 2 -6.090 7.154 1.804
10 HG13 ILE 2 1HG1 ILE 2 -5.271 6.721 0.307
11 HG21 ILE 2 1HG2 ILE 2 -3.551 6.756 4.053
12 HG22 ILE 2 2HG2 ILE 2 -5.177 7.344 3.702
13 HG23 ILE 2 3HG2 ILE 2 -3.799 8.437 3.582
14 HD11 ILE 2 3HD1 ILE 2 -5.101 4.504 0.888
15 HD12 ILE 2 1HD1 ILE 2 -6.655 4.949 1.594
16 HD13 ILE 2 2HD1 ILE 2 -5.222 4.837 2.615
17 H GLN 3 HN GLN 3 -1.830 9.512 2.700
18 HA GLN 3 HA GLN 3 0.605 8.632 1.332
19 HB2 GLN 3 HB2 GLN 3 1.682 10.413 2.792
20 HB3 GLN 3 HB1 GLN 3 0.558 10.981 1.565
21 HG2 GLN 3 HG2 GLN 3 -1.201 11.042 3.355
22 HG3 GLN 3 HG1 GLN 3 0.085 10.736 4.521
23 HE21 GLN 3 1HE2 GLN 3 -1.044 12.883 5.163
24 HE22 GLN 3 2HE2 GLN 3 -0.257 14.315 4.603
25 H CYS 4 HN CYS 4 1.547 6.872 2.099
26 HA CYS 4 HA CYS 4 1.078 5.894 4.749
27 HB2 CYS 4 HB2 CYS 4 2.111 4.860 2.302
28 HB3 CYS 4 HB1 CYS 4 3.320 4.593 3.554
29 HA PRO 5 HA PRO 5 4.328 7.872 6.986
30 HB2 PRO 5 HB2 PRO 5 5.135 5.816 8.625
31 HB3 PRO 5 HB1 PRO 5 3.704 6.811 8.911
32 HG2 PRO 5 HG2 PRO 5 3.910 4.094 7.678
33 HG3 PRO 5 HG1 PRO 5 2.709 4.717 8.825
34 HD2 PRO 5 HD2 PRO 5 2.169 4.491 6.204
35 HD3 PRO 5 HD1 PRO 5 1.525 5.830 7.174
36 H ASP 6 HN ASP 6 4.910 4.852 5.340
37 HA ASP 6 HA ASP 6 7.763 5.557 5.116
38 HB2 ASP 6 HB2 ASP 6 6.473 3.045 5.865
39 HB3 ASP 6 HB1 ASP 6 7.615 2.851 4.539
40 H SER 7 HN SER 7 8.302 3.515 3.176
41 HA SER 7 HA SER 7 8.366 3.218 0.924
42 HG SER 7 HG SER 7 4.806 3.927 -0.445
43 HB2 SER 7 HB2 SER 7 6.385 2.517 0.138
44 HB3 SER 7 HB1 SER 7 5.668 3.083 1.646
45 H GLN 8 HN GLN 8 7.829 4.404 -1.263
46 HA GLN 8 HA GLN 8 8.578 7.216 -0.855
47 HB2 GLN 8 HB2 GLN 8 8.896 5.542 -3.351
48 HB3 GLN 8 HB1 GLN 8 9.556 7.148 -3.069
49 HG2 GLN 8 HG2 GLN 8 11.418 6.094 -2.472
50 HG3 GLN 8 HG1 GLN 8 10.574 5.721 -0.970
51 HE21 GLN 8 1HE2 GLN 8 11.478 4.512 -4.123
52 HE22 GLN 8 2HE2 GLN 8 11.279 2.836 -3.752
53 H PHE 9 HN PHE 9 6.590 5.180 -2.999
54 HA PHE 9 HA PHE 9 5.140 7.492 -3.964
55 HD1 PHE 9 HD2 PHE 9 3.014 3.866 -3.772
56 HD2 PHE 9 HD1 PHE 9 6.997 4.022 -5.261
57 HE1 PHE 9 HE2 PHE 9 3.285 1.469 -3.286
58 HE2 PHE 9 HE1 PHE 9 7.275 1.625 -4.780
59 HZ PHE 9 HZ PHE 9 5.418 0.346 -3.789
60 HB2 PHE 9 HB2 PHE 9 3.818 5.718 -5.223
61 HB3 PHE 9 HB1 PHE 9 5.530 5.837 -5.613
62 H GLU 10 HN GLU 10 2.610 6.944 -4.179
63 HA GLU 10 HA GLU 10 1.689 6.614 -1.410
64 HB2 GLU 10 HB2 GLU 10 0.071 7.784 -3.661
65 HB3 GLU 10 HB1 GLU 10 -0.153 7.994 -1.930
66 HG2 GLU 10 HG2 GLU 10 2.172 9.068 -3.510
67 HG3 GLU 10 HG1 GLU 10 0.746 9.993 -3.043
68 H CYS 11 HN CYS 11 -0.804 5.932 -1.471
69 HA CYS 11 HA CYS 11 -0.894 3.415 -2.996
70 HB2 CYS 11 HB2 CYS 11 -1.457 4.063 -0.207
71 HB3 CYS 11 HB1 CYS 11 -2.776 3.190 -0.979
72 HA PRO 12 HA PRO 12 -4.487 5.299 -4.886
73 HB2 PRO 12 HB2 PRO 12 -4.849 3.514 -6.836
74 HB3 PRO 12 HB1 PRO 12 -3.459 4.607 -6.847
75 HG2 PRO 12 HG2 PRO 12 -3.599 1.723 -6.088
76 HG3 PRO 12 HG1 PRO 12 -2.330 2.591 -6.969
77 HD2 PRO 12 HD2 PRO 12 -2.268 1.956 -4.259
78 HD3 PRO 12 HD1 PRO 12 -1.272 3.195 -5.046
79 H ASP 13 HN ASP 13 -6.728 4.822 -5.188
80 HA ASP 13 HA ASP 13 -8.741 4.013 -4.517
81 HB2 ASP 13 HB2 ASP 13 -7.172 1.474 -4.897
82 HB3 ASP 13 HB1 ASP 13 -8.860 1.442 -4.398
83 H PHE 14 HN PHE 14 -9.447 1.859 -2.872
84 HA PHE 14 HA PHE 14 -8.595 2.914 -0.284
85 HD1 PHE 14 HD2 PHE 14 -10.341 -0.543 -1.615
86 HD2 PHE 14 HD1 PHE 14 -12.506 3.119 -1.725
87 HE1 PHE 14 HE2 PHE 14 -11.747 -1.433 -3.428
88 HE2 PHE 14 HE1 PHE 14 -13.915 2.235 -3.537
89 HZ PHE 14 HZ PHE 14 -13.537 -0.043 -4.392
90 HB2 PHE 14 HB2 PHE 14 -10.542 1.209 0.398
91 HB3 PHE 14 HB1 PHE 14 -10.872 2.850 -0.145
92 H SER 15 HN SER 15 -6.487 1.834 -0.551
93 HA SER 15 HA SER 15 -6.597 -0.836 0.623
94 HG SER 15 HG SER 15 -5.648 0.901 -2.050
95 HB2 SER 15 HB2 SER 15 -4.500 -1.224 -1.037
96 HB3 SER 15 HB1 SER 15 -6.150 -1.704 -1.435
97 H THR 16 HN THR 16 -4.806 -1.373 1.888
98 HA THR 16 HA THR 16 -3.257 0.924 2.777
99 HB THR 16 HB THR 16 -4.386 -0.618 4.412
100 HG1 THR 16 HG1 THR 16 -2.845 0.519 5.399
101 HG21 THR 16 3HG2 THR 16 -2.470 -2.529 3.168
102 HG22 THR 16 1HG2 THR 16 -4.110 -2.798 3.762
103 HG23 THR 16 2HG2 THR 16 -2.771 -2.660 4.901
104 H CYS 17 HN CYS 17 -0.914 0.528 3.343
105 HA CYS 17 HA CYS 17 0.422 -0.493 0.988
106 HB2 CYS 17 HB2 CYS 17 1.819 0.607 3.410
107 HB3 CYS 17 HB1 CYS 17 2.323 0.664 1.724
108 H CYS 18 HN CYS 18 0.779 -2.603 0.862
109 HA CYS 18 HA CYS 18 1.506 -4.076 3.296
110 HG CYS 18 HG CYS 18 1.522 -4.777 -0.636
111 HB2 CYS 18 HB2 CYS 18 0.567 -5.973 2.382
112 HB3 CYS 18 HB1 CYS 18 -0.444 -4.732 1.648
113 H VAL 19 HN VAL 19 3.198 -5.664 3.186
114 HA VAL 19 HA VAL 19 5.413 -4.766 1.502
115 HB VAL 19 HB VAL 19 5.580 -6.811 3.706
116 HG11 VAL 19 1HG1 VAL 19 7.792 -6.725 3.402
117 HG12 VAL 19 2HG1 VAL 19 7.796 -4.966 3.275
118 HG13 VAL 19 3HG1 VAL 19 7.424 -5.952 1.861
119 HG21 VAL 19 3HG2 VAL 19 5.967 -3.840 4.036
120 HG22 VAL 19 1HG2 VAL 19 6.050 -5.080 5.288
121 HG23 VAL 19 2HG2 VAL 19 4.507 -4.706 4.519
122 H MET 20 HN MET 20 5.629 -5.760 -0.390
123 HA MET 20 HA MET 20 4.498 -8.288 -0.990
124 HB2 MET 20 HB2 MET 20 6.596 -6.712 -2.491
125 HB3 MET 20 HB1 MET 20 5.694 -8.079 -3.133
126 HG2 MET 20 HG2 MET 20 3.771 -6.288 -2.181
127 HG3 MET 20 HG1 MET 20 4.971 -5.307 -3.018
128 HE1 MET 20 HE1 MET 20 4.292 -4.886 -5.864
129 HE2 MET 20 HE2 MET 20 5.006 -6.350 -6.539
130 HE3 MET 20 HE3 MET 20 5.770 -5.547 -5.166
131 H VAL 21 HN VAL 21 5.364 -10.297 -1.052
132 HA VAL 21 HA VAL 21 7.610 -10.878 0.558
133 HB VAL 21 HB VAL 21 7.382 -13.195 -0.650
134 HG11 VAL 21 1HG1 VAL 21 6.657 -13.439 1.455
135 HG12 VAL 21 2HG1 VAL 21 5.044 -13.300 0.757
136 HG13 VAL 21 3HG1 VAL 21 5.829 -11.882 1.451
137 HG21 VAL 21 3HG2 VAL 21 6.058 -12.701 -2.509
138 HG22 VAL 21 1HG2 VAL 21 4.957 -11.691 -1.574
139 HG23 VAL 21 2HG2 VAL 21 4.931 -13.443 -1.374
140 H ASP 22 HN ASP 22 7.327 -9.995 -2.727
141 HA ASP 22 HA ASP 22 9.718 -11.273 -3.663
142 HB2 ASP 22 HB2 ASP 22 8.078 -9.016 -4.836
143 HB3 ASP 22 HB1 ASP 22 9.418 -9.809 -5.657
144 H GLY 23 HN GLY 23 9.352 -8.938 -1.450
145 HA2 GLY 23 HA2 GLY 23 10.984 -7.618 -0.458
146 HA3 GLY 23 HA1 GLY 23 12.056 -7.988 -1.800
147 H SER 24 HN SER 24 8.855 -6.433 -1.615
148 HA SER 24 HA SER 24 9.989 -3.901 -2.459
149 HG SER 24 HG SER 24 8.796 -6.537 -4.681
150 HB2 SER 24 HB2 SER 24 7.736 -4.768 -4.179
151 HB3 SER 24 HB1 SER 24 9.149 -3.790 -4.576
152 H TRP 25 HN TRP 25 7.988 -2.351 -2.949
153 HA TRP 25 HA TRP 25 6.182 -2.675 -0.651
154 HD1 TRP 25 HD1 TRP 25 9.342 -0.073 -0.065
155 HE1 TRP 25 HE1 TRP 25 9.360 0.046 2.506
156 HE3 TRP 25 HE3 TRP 25 4.419 -1.118 0.830
157 HZ2 TRP 25 HZ2 TRP 25 7.530 -0.262 4.632
158 HZ3 TRP 25 HZ3 TRP 25 3.633 -1.186 3.161
159 HH2 TRP 25 HH2 TRP 25 5.158 -0.767 5.022
160 HB2 TRP 25 HB2 TRP 25 7.553 -0.358 -1.871
161 HB3 TRP 25 HB1 TRP 25 5.895 -0.069 -1.349
162 H GLY 26 HN GLY 26 4.063 -2.936 -0.981
163 HA2 GLY 26 HA2 GLY 26 2.925 -2.066 -3.555
164 HA3 GLY 26 HA1 GLY 26 2.675 -3.718 -3.012
165 H CYS 27 HN CYS 27 0.411 -2.647 -3.438
166 HA CYS 27 HA CYS 27 -0.581 -1.761 -0.812
167 HB2 CYS 27 HB2 CYS 27 -0.509 -0.051 -2.860
168 HB3 CYS 27 HB1 CYS 27 -2.021 -0.862 -3.260
169 H CYS 28 HN CYS 28 -2.091 -3.039 0.010
170 HA CYS 28 HA CYS 28 -3.603 -4.781 -1.825
171 HG CYS 28 HG CYS 28 -3.901 -7.648 -1.326
172 HB2 CYS 28 HB2 CYS 28 -1.938 -5.992 -0.413
173 HB3 CYS 28 HB1 CYS 28 -2.793 -5.425 1.017
174 HA PRO 29 HA PRO 29 -7.257 -2.767 -0.327
175 HB2 PRO 29 HB2 PRO 29 -9.004 -4.879 -0.692
176 HB3 PRO 29 HB1 PRO 29 -8.519 -3.742 -1.953
177 HG2 PRO 29 HG2 PRO 29 -7.479 -6.483 -1.369
178 HG3 PRO 29 HG1 PRO 29 -7.808 -5.718 -2.934
179 HD2 PRO 29 HD2 PRO 29 -5.312 -5.939 -1.992
180 HD3 PRO 29 HD1 PRO 29 -5.832 -4.499 -2.893
181 H MET 30 HN MET 30 -7.851 -2.448 1.711
182 HA MET 30 HA MET 30 -7.250 -4.320 3.773
183 HB2 MET 30 HB2 MET 30 -9.032 -1.901 4.043
184 HB3 MET 30 HB1 MET 30 -8.069 -2.678 5.292
185 HG2 MET 30 HG2 MET 30 -6.029 -2.005 3.996
186 HG3 MET 30 HG1 MET 30 -7.091 -1.039 2.973
187 HE1 MET 30 HE1 MET 30 -8.188 1.104 3.579
188 HE2 MET 30 HE2 MET 30 -8.269 1.822 5.187
189 HE3 MET 30 HE3 MET 30 -9.182 0.357 4.829
190 HA PRO 31 HA PRO 31 -10.968 -6.677 4.010
191 HB2 PRO 31 HB2 PRO 31 -11.282 -6.980 6.701
192 HB3 PRO 31 HB1 PRO 31 -10.067 -7.853 5.761
193 HG2 PRO 31 HG2 PRO 31 -9.758 -5.385 7.429
194 HG3 PRO 31 HG1 PRO 31 -8.701 -6.806 7.328
195 HD2 PRO 31 HD2 PRO 31 -8.137 -4.512 6.032
196 HD3 PRO 31 HD1 PRO 31 -7.732 -6.101 5.350
197 H GLN 32 HN GLN 32 -10.777 -3.526 5.229
198 HA GLN 32 HA GLN 32 -13.710 -3.399 5.461
199 HB2 GLN 32 HB2 GLN 32 -11.762 -1.736 7.063
200 HB3 GLN 32 HB1 GLN 32 -13.513 -1.741 7.211
201 HG2 GLN 32 HG2 GLN 32 -13.460 -3.429 8.640
202 HG3 GLN 32 HG1 GLN 32 -12.462 -4.395 7.554
203 HE21 GLN 32 1HE2 GLN 32 -11.942 -1.395 9.379
204 HE22 GLN 32 2HE2 GLN 32 -10.504 -1.927 10.175
Start of MODEL 5
1 H ALA 1 HT1 ALA 1 -6.600 8.817 0.054
2 HA ALA 1 HA ALA 1 -4.518 8.409 -1.330
3 HB1 ALA 1 HB1 ALA 1 -4.200 11.268 -0.493
4 HB2 ALA 1 HB2 ALA 1 -3.919 10.529 -2.070
5 HB3 ALA 1 HB3 ALA 1 -2.793 10.235 -0.745
6 H ILE 2 HN ILE 2 -3.617 6.917 -0.093
7 HA ILE 2 HA ILE 2 -3.265 7.487 2.778
8 HB ILE 2 HB ILE 2 -3.578 4.725 1.617
9 HG12 ILE 2 2HG1 ILE 2 -5.760 6.376 2.906
10 HG13 ILE 2 1HG1 ILE 2 -5.586 6.186 1.164
11 HG21 ILE 2 1HG2 ILE 2 -4.039 4.082 3.894
12 HG22 ILE 2 2HG2 ILE 2 -3.982 5.765 4.418
13 HG23 ILE 2 3HG2 ILE 2 -2.517 4.972 3.840
14 HD11 ILE 2 3HD1 ILE 2 -5.562 3.605 2.338
15 HD12 ILE 2 1HD1 ILE 2 -6.757 4.318 1.254
16 HD13 ILE 2 2HD1 ILE 2 -6.926 4.507 2.998
17 H GLN 3 HN GLN 3 -1.180 7.997 3.029
18 HA GLN 3 HA GLN 3 0.909 6.897 1.416
19 HB2 GLN 3 HB2 GLN 3 0.609 9.038 3.286
20 HB3 GLN 3 HB1 GLN 3 1.985 8.059 3.775
21 HG2 GLN 3 HG2 GLN 3 3.035 8.356 1.648
22 HG3 GLN 3 HG1 GLN 3 1.605 9.157 1.001
23 HE21 GLN 3 1HE2 GLN 3 1.008 11.215 1.947
24 HE22 GLN 3 2HE2 GLN 3 2.242 12.251 2.570
25 H CYS 4 HN CYS 4 2.985 6.312 2.992
26 HA CYS 4 HA CYS 4 2.360 4.513 5.119
27 HB2 CYS 4 HB2 CYS 4 3.501 2.567 3.717
28 HB3 CYS 4 HB1 CYS 4 1.762 2.833 3.678
29 HA PRO 5 HA PRO 5 6.590 5.399 6.043
30 HB2 PRO 5 HB2 PRO 5 7.242 3.302 7.628
31 HB3 PRO 5 HB1 PRO 5 6.159 4.595 8.158
32 HG2 PRO 5 HG2 PRO 5 5.483 1.875 7.099
33 HG3 PRO 5 HG1 PRO 5 4.792 2.737 8.487
34 HD2 PRO 5 HD2 PRO 5 3.555 2.638 6.084
35 HD3 PRO 5 HD1 PRO 5 3.433 4.045 7.159
36 H ASP 6 HN ASP 6 8.712 4.847 5.505
37 HA ASP 6 HA ASP 6 10.345 3.998 4.166
38 HB2 ASP 6 HB2 ASP 6 8.938 1.479 5.043
39 HB3 ASP 6 HB1 ASP 6 10.402 1.447 4.064
40 H SER 7 HN SER 7 8.366 5.088 2.683
41 HA SER 7 HA SER 7 8.515 3.507 0.258
42 HG SER 7 HG SER 7 5.702 4.048 -0.955
43 HB2 SER 7 HB2 SER 7 6.373 2.852 1.485
44 HB3 SER 7 HB1 SER 7 5.806 4.488 1.153
45 H GLN 8 HN GLN 8 7.989 4.732 -1.657
46 HA GLN 8 HA GLN 8 8.212 7.636 -1.216
47 HB2 GLN 8 HB2 GLN 8 9.051 7.352 -3.764
48 HB3 GLN 8 HB1 GLN 8 10.128 7.313 -2.377
49 HG2 GLN 8 HG2 GLN 8 10.726 5.485 -3.728
50 HG3 GLN 8 HG1 GLN 8 9.836 4.814 -2.363
51 HE21 GLN 8 1HE2 GLN 8 10.092 4.968 -5.709
52 HE22 GLN 8 2HE2 GLN 8 8.607 4.184 -6.115
53 H PHE 9 HN PHE 9 5.875 5.616 -1.723
54 HA PHE 9 HA PHE 9 4.379 7.462 -3.385
55 HD1 PHE 9 HD1 PHE 9 5.731 3.671 -2.929
56 HD2 PHE 9 HD2 PHE 9 2.357 4.316 -5.440
57 HE1 PHE 9 HE1 PHE 9 5.046 1.332 -2.602
58 HE2 PHE 9 HE2 PHE 9 1.665 1.977 -5.118
59 HZ PHE 9 HZ PHE 9 3.011 0.481 -3.697
60 HB2 PHE 9 HB2 PHE 9 3.832 6.028 -5.120
61 HB3 PHE 9 HB1 PHE 9 5.507 5.582 -4.821
62 H GLU 10 HN GLU 10 2.056 7.042 -3.338
63 HA GLU 10 HA GLU 10 1.275 5.565 -0.911
64 HB2 GLU 10 HB2 GLU 10 -0.793 7.226 -1.199
65 HB3 GLU 10 HB1 GLU 10 0.657 7.675 -0.311
66 HG2 GLU 10 HG2 GLU 10 1.490 8.936 -2.137
67 HG3 GLU 10 HG1 GLU 10 0.256 8.297 -3.222
68 H CYS 11 HN CYS 11 -1.184 5.037 -0.987
69 HA CYS 11 HA CYS 11 -1.739 3.827 -3.615
70 HB2 CYS 11 HB2 CYS 11 -2.401 2.854 -0.834
71 HB3 CYS 11 HB1 CYS 11 -3.088 2.148 -2.293
72 HA PRO 12 HA PRO 12 -5.374 6.430 -3.402
73 HB2 PRO 12 HB2 PRO 12 -6.215 6.086 -5.910
74 HB3 PRO 12 HB1 PRO 12 -4.733 6.987 -5.566
75 HG2 PRO 12 HG2 PRO 12 -5.061 4.172 -6.521
76 HG3 PRO 12 HG1 PRO 12 -3.881 5.396 -7.024
77 HD2 PRO 12 HD2 PRO 12 -3.384 3.368 -5.203
78 HD3 PRO 12 HD1 PRO 12 -2.454 4.875 -5.324
79 H ASP 13 HN ASP 13 -7.743 6.064 -4.377
80 HA ASP 13 HA ASP 13 -9.724 4.986 -4.092
81 HB2 ASP 13 HB2 ASP 13 -7.988 3.207 -5.498
82 HB3 ASP 13 HB1 ASP 13 -8.980 2.253 -4.398
83 H PHE 14 HN PHE 14 -9.937 2.158 -3.133
84 HA PHE 14 HA PHE 14 -9.526 2.738 -0.282
85 HD1 PHE 14 HD1 PHE 14 -11.007 -0.675 -2.427
86 HD2 PHE 14 HD2 PHE 14 -12.966 3.089 -2.119
87 HE1 PHE 14 HE1 PHE 14 -12.183 -1.120 -4.540
88 HE2 PHE 14 HE2 PHE 14 -14.148 2.651 -4.233
89 HZ PHE 14 HZ PHE 14 -13.757 0.544 -5.446
90 HB2 PHE 14 HB2 PHE 14 -11.177 0.592 -0.269
91 HB3 PHE 14 HB1 PHE 14 -11.743 2.259 -0.299
92 H SER 15 HN SER 15 -7.217 2.036 -1.183
93 HA SER 15 HA SER 15 -6.927 -0.794 -0.437
94 HG SER 15 HG SER 15 -4.858 1.390 -2.577
95 HB2 SER 15 HB2 SER 15 -4.925 -0.788 -2.063
96 HB3 SER 15 HB1 SER 15 -6.544 -0.881 -2.758
97 H THR 16 HN THR 16 -5.314 -1.255 0.964
98 HA THR 16 HA THR 16 -3.961 0.996 2.201
99 HB THR 16 HB THR 16 -5.052 -0.734 3.605
100 HG1 THR 16 HG1 THR 16 -2.982 0.504 4.148
101 HG21 THR 16 3HG2 THR 16 -2.810 -2.543 2.704
102 HG22 THR 16 1HG2 THR 16 -4.471 -2.662 2.124
103 HG23 THR 16 2HG2 THR 16 -4.111 -2.934 3.829
104 H CYS 17 HN CYS 17 -1.653 0.745 2.833
105 HA CYS 17 HA CYS 17 -0.099 0.023 0.497
106 HB2 CYS 17 HB2 CYS 17 0.134 2.104 2.131
107 HB3 CYS 17 HB1 CYS 17 1.179 0.995 3.011
108 H CYS 18 HN CYS 18 -0.023 -2.192 0.409
109 HA CYS 18 HA CYS 18 0.785 -3.729 2.730
110 HG CYS 18 HG CYS 18 -1.243 -6.828 1.361
111 HB2 CYS 18 HB2 CYS 18 -0.779 -4.291 0.537
112 HB3 CYS 18 HB1 CYS 18 0.728 -5.114 0.145
113 H VAL 19 HN VAL 19 2.733 -4.722 3.039
114 HA VAL 19 HA VAL 19 4.866 -4.019 1.129
115 HB VAL 19 HB VAL 19 5.274 -2.921 3.219
116 HG11 VAL 19 1HG1 VAL 19 5.437 -5.432 4.788
117 HG12 VAL 19 2HG1 VAL 19 3.834 -4.790 4.428
118 HG13 VAL 19 3HG1 VAL 19 5.006 -3.800 5.299
119 HG21 VAL 19 3HG2 VAL 19 7.031 -4.857 2.124
120 HG22 VAL 19 1HG2 VAL 19 7.226 -4.881 3.877
121 HG23 VAL 19 2HG2 VAL 19 7.435 -3.373 2.988
122 H MET 20 HN MET 20 6.053 -5.599 0.241
123 HA MET 20 HA MET 20 5.430 -8.358 1.015
124 HB2 MET 20 HB2 MET 20 7.033 -7.678 -1.416
125 HB3 MET 20 HB1 MET 20 5.921 -9.013 -1.150
126 HG2 MET 20 HG2 MET 20 4.347 -6.726 -0.975
127 HG3 MET 20 HG1 MET 20 5.446 -6.425 -2.318
128 HE1 MET 20 HE1 MET 20 5.073 -6.780 -4.293
129 HE2 MET 20 HE2 MET 20 3.630 -7.504 -5.002
130 HE3 MET 20 HE3 MET 20 5.110 -8.451 -4.854
131 H VAL 21 HN VAL 21 7.006 -9.834 1.564
132 HA VAL 21 HA VAL 21 9.356 -8.794 2.779
133 HB VAL 21 HB VAL 21 8.841 -11.703 2.175
134 HG11 VAL 21 1HG1 VAL 21 10.367 -10.314 4.376
135 HG12 VAL 21 2HG1 VAL 21 11.065 -11.186 3.011
136 HG13 VAL 21 3HG1 VAL 21 10.136 -12.057 4.231
137 HG21 VAL 21 3HG2 VAL 21 6.933 -10.337 3.332
138 HG22 VAL 21 1HG2 VAL 21 7.991 -10.433 4.739
139 HG23 VAL 21 2HG2 VAL 21 7.412 -11.910 3.970
140 H ASP 22 HN ASP 22 8.628 -9.707 -0.396
141 HA ASP 22 HA ASP 22 11.051 -10.794 -1.291
142 HB2 ASP 22 HB2 ASP 22 8.694 -10.415 -2.469
143 HB3 ASP 22 HB1 ASP 22 9.511 -8.985 -3.093
144 H GLY 23 HN GLY 23 9.908 -7.419 -1.521
145 HA2 GLY 23 HA2 GLY 23 11.947 -5.982 -0.615
146 HA3 GLY 23 HA1 GLY 23 12.620 -6.543 -2.137
147 H SER 24 HN SER 24 9.217 -5.908 -1.861
148 HA SER 24 HA SER 24 9.447 -3.221 -2.924
149 HG SER 24 HG SER 24 6.856 -4.866 -5.033
150 HB2 SER 24 HB2 SER 24 9.448 -4.003 -5.059
151 HB3 SER 24 HB1 SER 24 8.786 -5.570 -4.593
152 H TRP 25 HN TRP 25 7.328 -2.162 -3.137
153 HA TRP 25 HA TRP 25 5.503 -3.144 -1.071
154 HD1 TRP 25 HD1 TRP 25 8.332 -0.482 -1.093
155 HE1 TRP 25 HE1 TRP 25 8.949 -0.038 1.365
156 HE3 TRP 25 HE3 TRP 25 3.709 -1.043 1.018
157 HZ2 TRP 25 HZ2 TRP 25 7.649 0.061 3.868
158 HZ3 TRP 25 HZ3 TRP 25 3.482 -0.756 3.451
159 HH2 TRP 25 HH2 TRP 25 5.412 -0.216 4.845
160 HB2 TRP 25 HB2 TRP 25 5.920 -0.445 -2.344
161 HB3 TRP 25 HB1 TRP 25 4.508 -0.793 -1.351
162 H GLY 26 HN GLY 26 3.117 -2.438 -1.522
163 HA2 GLY 26 HA2 GLY 26 2.209 -2.492 -4.224
164 HA3 GLY 26 HA1 GLY 26 2.058 -4.075 -3.475
165 H CYS 27 HN CYS 27 0.036 -2.076 -4.417
166 HA CYS 27 HA CYS 27 -1.295 -1.294 -1.954
167 HB2 CYS 27 HB2 CYS 27 -2.133 -0.926 -4.837
168 HB3 CYS 27 HB1 CYS 27 -2.934 -0.217 -3.438
169 H CYS 28 HN CYS 28 -2.833 -2.435 -0.983
170 HA CYS 28 HA CYS 28 -4.236 -4.514 -2.525
171 HG CYS 28 HG CYS 28 -3.956 -6.808 -2.558
172 HB2 CYS 28 HB2 CYS 28 -2.374 -5.055 -0.581
173 HB3 CYS 28 HB1 CYS 28 -3.881 -5.103 0.328
174 HA PRO 29 HA PRO 29 -7.766 -2.065 -1.194
175 HB2 PRO 29 HB2 PRO 29 -9.123 -4.608 -1.962
176 HB3 PRO 29 HB1 PRO 29 -9.511 -2.944 -2.414
177 HG2 PRO 29 HG2 PRO 29 -8.316 -4.568 -4.147
178 HG3 PRO 29 HG1 PRO 29 -7.857 -2.858 -4.040
179 HD2 PRO 29 HD2 PRO 29 -6.427 -5.274 -3.031
180 HD3 PRO 29 HD1 PRO 29 -5.767 -3.769 -3.701
181 H MET 30 HN MET 30 -8.620 -1.870 0.778
182 HA MET 30 HA MET 30 -8.075 -3.697 2.844
183 HB2 MET 30 HB2 MET 30 -9.510 -1.156 2.551
184 HB3 MET 30 HB1 MET 30 -10.159 -2.192 3.814
185 HG2 MET 30 HG2 MET 30 -7.349 -2.217 4.077
186 HG3 MET 30 HG1 MET 30 -7.844 -0.539 3.860
187 HE1 MET 30 HE1 MET 30 -6.603 -1.766 6.960
188 HE2 MET 30 HE2 MET 30 -7.045 -3.163 5.978
189 HE3 MET 30 HE3 MET 30 -7.812 -2.908 7.546
190 HA PRO 31 HA PRO 31 -11.345 -6.647 2.543
191 HB2 PRO 31 HB2 PRO 31 -11.752 -7.260 5.161
192 HB3 PRO 31 HB1 PRO 31 -10.343 -7.814 4.248
193 HG2 PRO 31 HG2 PRO 31 -10.588 -5.499 6.135
194 HG3 PRO 31 HG1 PRO 31 -9.291 -6.704 6.006
195 HD2 PRO 31 HD2 PRO 31 -9.062 -4.235 4.947
196 HD3 PRO 31 HD1 PRO 31 -8.332 -5.660 4.180
197 H GLN 32 HN GLN 32 -11.757 -4.009 4.857
198 HA GLN 32 HA GLN 32 -14.674 -4.234 4.583
199 HB2 GLN 32 HB2 GLN 32 -12.989 -2.760 6.615
200 HB3 GLN 32 HB1 GLN 32 -14.746 -2.708 6.555
201 HG2 GLN 32 HG2 GLN 32 -13.970 -5.429 6.562
202 HG3 GLN 32 HG1 GLN 32 -13.062 -4.602 7.827
203 HE21 GLN 32 1HE2 GLN 32 -14.031 -4.937 9.692
204 HE22 GLN 32 2HE2 GLN 32 -15.728 -4.823 9.992
Start of MODEL 6
1 H ALA 1 HT1 ALA 1 -4.356 11.699 -1.266
2 HA ALA 1 HA ALA 1 -3.539 9.195 -2.279
3 HB1 ALA 1 HB1 ALA 1 -1.523 10.720 -3.425
4 HB2 ALA 1 HB2 ALA 1 -3.017 11.466 -3.991
5 HB3 ALA 1 HB3 ALA 1 -2.726 9.749 -4.273
6 H ILE 2 HN ILE 2 -3.274 9.135 0.023
7 HA ILE 2 HA ILE 2 -1.159 10.819 1.136
8 HB ILE 2 HB ILE 2 -2.732 8.749 2.651
9 HG12 ILE 2 2HG1 ILE 2 -3.521 11.647 2.535
10 HG13 ILE 2 1HG1 ILE 2 -4.142 10.504 1.348
11 HG21 ILE 2 1HG2 ILE 2 -2.275 10.400 4.515
12 HG22 ILE 2 2HG2 ILE 2 -1.165 11.200 3.404
13 HG23 ILE 2 3HG2 ILE 2 -0.879 9.528 3.884
14 HD11 ILE 2 3HD1 ILE 2 -5.803 10.309 2.850
15 HD12 ILE 2 1HD1 ILE 2 -4.789 10.817 4.202
16 HD13 ILE 2 2HD1 ILE 2 -4.693 9.162 3.601
17 H GLN 3 HN GLN 3 0.779 10.037 0.484
18 HA GLN 3 HA GLN 3 1.433 7.337 0.103
19 HB2 GLN 3 HB2 GLN 3 3.279 9.629 0.798
20 HB3 GLN 3 HB1 GLN 3 3.769 8.088 0.109
21 HG2 GLN 3 HG2 GLN 3 3.208 8.701 -1.962
22 HG3 GLN 3 HG1 GLN 3 1.706 9.459 -1.435
23 HE21 GLN 3 1HE2 GLN 3 1.621 11.620 -1.213
24 HE22 GLN 3 2HE2 GLN 3 2.954 12.685 -1.481
25 H CYS 4 HN CYS 4 2.172 5.763 1.428
26 HA CYS 4 HA CYS 4 1.717 5.937 4.199
27 HB2 CYS 4 HB2 CYS 4 2.644 3.919 2.306
28 HB3 CYS 4 HB1 CYS 4 3.431 3.780 3.874
29 HA PRO 5 HA PRO 5 5.546 7.718 5.557
30 HB2 PRO 5 HB2 PRO 5 5.347 7.232 8.194
31 HB3 PRO 5 HB1 PRO 5 4.310 8.411 7.379
32 HG2 PRO 5 HG2 PRO 5 3.703 5.602 8.209
33 HG3 PRO 5 HG1 PRO 5 2.686 7.050 8.325
34 HD2 PRO 5 HD2 PRO 5 2.449 5.165 6.347
35 HD3 PRO 5 HD1 PRO 5 1.966 6.862 6.161
36 H ASP 6 HN ASP 6 5.520 4.846 4.638
37 HA ASP 6 HA ASP 6 7.904 4.007 6.133
38 HB2 ASP 6 HB2 ASP 6 6.421 1.713 5.188
39 HB3 ASP 6 HB1 ASP 6 6.999 2.074 6.812
40 H SER 7 HN SER 7 6.475 4.730 3.215
41 HA SER 7 HA SER 7 8.796 3.975 1.735
42 HG SER 7 HG SER 7 7.784 1.382 -0.329
43 HB2 SER 7 HB2 SER 7 7.520 1.810 1.856
44 HB3 SER 7 HB1 SER 7 6.223 2.592 0.953
45 H GLN 8 HN GLN 8 8.663 4.655 -0.540
46 HA GLN 8 HA GLN 8 6.992 7.039 -0.773
47 HB2 GLN 8 HB2 GLN 8 9.638 6.619 -1.328
48 HB3 GLN 8 HB1 GLN 8 8.916 6.464 -2.923
49 HG2 GLN 8 HG2 GLN 8 9.385 8.701 -2.856
50 HG3 GLN 8 HG1 GLN 8 7.715 8.685 -2.292
51 HE21 GLN 8 1HE2 GLN 8 10.662 7.825 -0.555
52 HE22 GLN 8 2HE2 GLN 8 10.512 9.040 0.665
53 H PHE 9 HN PHE 9 5.242 5.211 -1.032
54 HA PHE 9 HA PHE 9 4.911 4.733 -3.923
55 HD1 PHE 9 HD1 PHE 9 6.754 2.336 -1.892
56 HD2 PHE 9 HD2 PHE 9 3.906 1.943 -5.028
57 HE1 PHE 9 HE1 PHE 9 8.301 0.855 -3.104
58 HE2 PHE 9 HE2 PHE 9 5.446 0.460 -6.247
59 HZ PHE 9 HZ PHE 9 7.648 -0.085 -5.284
60 HB2 PHE 9 HB2 PHE 9 4.423 2.969 -1.578
61 HB3 PHE 9 HB1 PHE 9 3.276 2.872 -2.910
62 H GLU 10 HN GLU 10 2.351 4.072 -4.148
63 HA GLU 10 HA GLU 10 0.849 6.269 -2.890
64 HB2 GLU 10 HB2 GLU 10 1.201 7.007 -5.103
65 HB3 GLU 10 HB1 GLU 10 0.903 5.410 -5.775
66 HG2 GLU 10 HG2 GLU 10 -1.399 5.597 -5.520
67 HG3 GLU 10 HG1 GLU 10 -1.260 6.899 -4.340
68 H CYS 11 HN CYS 11 -1.288 5.881 -2.375
69 HA CYS 11 HA CYS 11 -2.446 3.272 -2.955
70 HB2 CYS 11 HB2 CYS 11 -1.273 3.984 -0.405
71 HB3 CYS 11 HB1 CYS 11 -2.991 3.647 -0.229
72 HA PRO 12 HA PRO 12 -5.890 6.142 -3.086
73 HB2 PRO 12 HB2 PRO 12 -7.633 4.565 -4.353
74 HB3 PRO 12 HB1 PRO 12 -6.220 5.220 -5.190
75 HG2 PRO 12 HG2 PRO 12 -6.666 2.483 -4.076
76 HG3 PRO 12 HG1 PRO 12 -5.875 2.963 -5.587
77 HD2 PRO 12 HD2 PRO 12 -4.555 2.301 -3.241
78 HD3 PRO 12 HD1 PRO 12 -3.861 3.258 -4.564
79 H ASP 13 HN ASP 13 -8.290 5.993 -2.518
80 HA ASP 13 HA ASP 13 -8.519 4.938 0.136
81 HB2 ASP 13 HB2 ASP 13 -9.840 6.913 -1.441
82 HB3 ASP 13 HB1 ASP 13 -11.057 5.794 -0.832
83 H PHE 14 HN PHE 14 -8.134 2.869 -1.780
84 HA PHE 14 HA PHE 14 -10.566 1.324 -1.283
85 HD1 PHE 14 HD1 PHE 14 -11.577 -0.889 -3.506
86 HD2 PHE 14 HD2 PHE 14 -11.847 3.352 -3.726
87 HE1 PHE 14 HE1 PHE 14 -14.003 -1.066 -3.882
88 HE2 PHE 14 HE2 PHE 14 -14.272 3.183 -4.102
89 HZ PHE 14 HZ PHE 14 -15.353 0.972 -4.180
90 HB2 PHE 14 HB2 PHE 14 -9.718 2.240 -3.868
91 HB3 PHE 14 HB1 PHE 14 -9.598 0.484 -3.809
92 H SER 15 HN SER 15 -7.323 1.609 -0.960
93 HA SER 15 HA SER 15 -7.024 -1.181 -0.272
94 HG SER 15 HG SER 15 -5.258 -0.020 -3.681
95 HB2 SER 15 HB2 SER 15 -4.701 -0.844 -1.729
96 HB3 SER 15 HB1 SER 15 -6.111 -1.770 -2.246
97 H THR 16 HN THR 16 -4.756 -1.584 0.614
98 HA THR 16 HA THR 16 -3.808 0.830 2.015
99 HB THR 16 HB THR 16 -4.999 -0.777 3.508
100 HG1 THR 16 HG1 THR 16 -3.112 0.595 4.141
101 HG21 THR 16 3HG2 THR 16 -2.840 -2.603 2.510
102 HG22 THR 16 1HG2 THR 16 -4.567 -2.913 2.691
103 HG23 THR 16 2HG2 THR 16 -3.532 -2.827 4.117
104 H CYS 17 HN CYS 17 -1.525 0.338 3.011
105 HA CYS 17 HA CYS 17 0.178 -0.326 0.766
106 HB2 CYS 17 HB2 CYS 17 1.129 0.446 3.517
107 HB3 CYS 17 HB1 CYS 17 1.938 0.684 1.971
108 H CYS 18 HN CYS 18 0.428 -2.453 0.426
109 HA CYS 18 HA CYS 18 0.971 -4.196 2.727
110 HG CYS 18 HG CYS 18 0.246 -5.131 -1.586
111 HB2 CYS 18 HB2 CYS 18 -0.076 -5.882 1.634
112 HB3 CYS 18 HB1 CYS 18 -0.805 -4.572 0.712
113 H VAL 19 HN VAL 19 2.562 -5.975 2.317
114 HA VAL 19 HA VAL 19 4.823 -5.005 0.693
115 HB VAL 19 HB VAL 19 5.236 -6.626 3.184
116 HG11 VAL 19 1HG1 VAL 19 7.301 -6.512 2.329
117 HG12 VAL 19 2HG1 VAL 19 7.299 -4.851 2.923
118 HG13 VAL 19 3HG1 VAL 19 6.879 -5.187 1.244
119 HG21 VAL 19 3HG2 VAL 19 3.891 -4.683 3.847
120 HG22 VAL 19 1HG2 VAL 19 5.064 -3.615 3.075
121 HG23 VAL 19 2HG2 VAL 19 5.537 -4.582 4.472
122 H MET 20 HN MET 20 6.203 -6.611 -0.210
123 HA MET 20 HA MET 20 4.920 -9.252 -0.458
124 HB2 MET 20 HB2 MET 20 6.813 -8.253 -2.537
125 HB3 MET 20 HB1 MET 20 5.438 -9.336 -2.703
126 HG2 MET 20 HG2 MET 20 3.983 -7.659 -3.050
127 HG3 MET 20 HG1 MET 20 4.789 -6.580 -1.912
128 HE1 MET 20 HE1 MET 20 5.226 -6.921 -6.375
129 HE2 MET 20 HE2 MET 20 3.823 -6.232 -5.560
130 HE3 MET 20 HE3 MET 20 4.279 -7.909 -5.263
131 H VAL 21 HN VAL 21 6.551 -10.970 -1.210
132 HA VAL 21 HA VAL 21 8.516 -11.257 0.806
133 HB VAL 21 HB VAL 21 9.291 -13.214 -0.674
134 HG11 VAL 21 1HG1 VAL 21 7.806 -13.394 1.300
135 HG12 VAL 21 2HG1 VAL 21 7.463 -14.599 0.059
136 HG13 VAL 21 3HG1 VAL 21 6.416 -13.191 0.234
137 HG21 VAL 21 3HG2 VAL 21 6.673 -12.808 -2.073
138 HG22 VAL 21 1HG2 VAL 21 8.022 -13.853 -2.515
139 HG23 VAL 21 2HG2 VAL 21 8.158 -12.106 -2.713
140 H ASP 22 HN ASP 22 8.572 -9.888 -2.363
141 HA ASP 22 HA ASP 22 11.328 -10.133 -2.925
142 HB2 ASP 22 HB2 ASP 22 9.296 -9.382 -4.427
143 HB3 ASP 22 HB1 ASP 22 9.759 -7.773 -3.882
144 H GLY 23 HN GLY 23 9.691 -8.304 -0.605
145 HA2 GLY 23 HA2 GLY 23 10.743 -7.050 1.080
146 HA3 GLY 23 HA1 GLY 23 12.155 -6.889 0.048
147 H SER 24 HN SER 24 9.758 -6.193 -1.986
148 HA SER 24 HA SER 24 10.118 -3.329 -1.627
149 HG SER 24 HG SER 24 8.113 -4.446 -4.919
150 HB2 SER 24 HB2 SER 24 9.834 -3.171 -3.862
151 HB3 SER 24 HB1 SER 24 10.001 -4.927 -3.867
152 H TRP 25 HN TRP 25 8.067 -1.990 -2.259
153 HA TRP 25 HA TRP 25 5.893 -2.931 -0.516
154 HD1 TRP 25 HD1 TRP 25 8.989 -0.864 0.408
155 HE1 TRP 25 HE1 TRP 25 9.165 -0.892 2.975
156 HE3 TRP 25 HE3 TRP 25 4.010 -0.833 1.563
157 HZ2 TRP 25 HZ2 TRP 25 7.423 -0.902 5.196
158 HZ3 TRP 25 HZ3 TRP 25 3.348 -0.852 3.933
159 HH2 TRP 25 HH2 TRP 25 5.021 -0.886 5.710
160 HB2 TRP 25 HB2 TRP 25 6.897 -0.180 -1.208
161 HB3 TRP 25 HB1 TRP 25 5.284 -0.419 -0.543
162 H GLY 26 HN GLY 26 3.698 -2.466 -1.121
163 HA2 GLY 26 HA2 GLY 26 3.116 -1.586 -3.805
164 HA3 GLY 26 HA1 GLY 26 2.892 -3.313 -3.573
165 H CYS 27 HN CYS 27 0.977 -1.066 -4.118
166 HA CYS 27 HA CYS 27 -0.635 -0.958 -1.711
167 HB2 CYS 27 HB2 CYS 27 -0.339 0.956 -3.389
168 HB3 CYS 27 HB1 CYS 27 -1.439 0.060 -4.433
169 H CYS 28 HN CYS 28 -2.058 -2.461 -1.186
170 HA CYS 28 HA CYS 28 -3.604 -3.791 -3.281
171 HG CYS 28 HG CYS 28 -1.784 -6.907 -3.879
172 HB2 CYS 28 HB2 CYS 28 -1.895 -5.189 -1.230
173 HB3 CYS 28 HB1 CYS 28 -3.263 -5.987 -2.001
174 HA PRO 29 HA PRO 29 -7.093 -3.033 -0.685
175 HB2 PRO 29 HB2 PRO 29 -7.866 -5.836 -1.354
176 HB3 PRO 29 HB1 PRO 29 -8.811 -4.346 -1.481
177 HG2 PRO 29 HG2 PRO 29 -7.779 -5.479 -3.653
178 HG3 PRO 29 HG1 PRO 29 -7.796 -3.715 -3.469
179 HD2 PRO 29 HD2 PRO 29 -5.528 -5.632 -3.187
180 HD3 PRO 29 HD1 PRO 29 -5.533 -3.971 -3.816
181 H MET 30 HN MET 30 -8.004 -3.608 1.324
182 HA MET 30 HA MET 30 -6.221 -5.168 3.002
183 HB2 MET 30 HB2 MET 30 -8.701 -3.914 4.079
184 HB3 MET 30 HB1 MET 30 -7.104 -4.037 4.802
185 HG2 MET 30 HG2 MET 30 -6.295 -2.326 3.215
186 HG3 MET 30 HG1 MET 30 -7.939 -2.161 2.604
187 HE1 MET 30 HE1 MET 30 -8.717 -0.255 2.839
188 HE2 MET 30 HE2 MET 30 -8.474 0.947 4.106
189 HE3 MET 30 HE3 MET 30 -9.798 -0.211 4.232
190 HA PRO 31 HA PRO 31 -8.897 -8.735 2.637
191 HB2 PRO 31 HB2 PRO 31 -7.216 -9.945 4.698
192 HB3 PRO 31 HB1 PRO 31 -7.412 -10.408 3.006
193 HG2 PRO 31 HG2 PRO 31 -5.132 -9.307 3.961
194 HG3 PRO 31 HG1 PRO 31 -5.694 -9.054 2.300
195 HD2 PRO 31 HD2 PRO 31 -5.909 -7.238 4.673
196 HD3 PRO 31 HD1 PRO 31 -5.519 -6.845 2.983
197 H GLN 32 HN GLN 32 -8.533 -6.672 5.235
198 HA GLN 32 HA GLN 32 -10.687 -8.037 6.704
199 HB2 GLN 32 HB2 GLN 32 -8.058 -7.500 7.640
200 HB3 GLN 32 HB1 GLN 32 -9.154 -6.430 8.501
201 HG2 GLN 32 HG2 GLN 32 -9.170 -8.253 9.871
202 HG3 GLN 32 HG1 GLN 32 -10.552 -8.611 8.836
203 HE21 GLN 32 1HE2 GLN 32 -10.291 -10.819 9.377
204 HE22 GLN 32 2HE2 GLN 32 -9.073 -11.780 8.619
Start of MODEL 7
1 H ALA 1 HT1 ALA 1 -7.777 10.547 -0.838
2 HA ALA 1 HA ALA 1 -5.821 8.787 -1.111
3 HB1 ALA 1 HB1 ALA 1 -4.378 10.641 -1.558
4 HB2 ALA 1 HB2 ALA 1 -5.345 11.708 -0.541
5 HB3 ALA 1 HB3 ALA 1 -6.011 11.088 -2.052
6 H ILE 2 HN ILE 2 -5.476 7.443 0.682
7 HA ILE 2 HA ILE 2 -4.284 8.652 3.067
8 HB ILE 2 HB ILE 2 -5.050 5.770 2.587
9 HG12 ILE 2 2HG1 ILE 2 -6.993 7.318 2.539
10 HG13 ILE 2 1HG1 ILE 2 -7.037 6.213 3.909
11 HG21 ILE 2 1HG2 ILE 2 -4.411 5.286 4.708
12 HG22 ILE 2 2HG2 ILE 2 -4.784 6.901 5.309
13 HG23 ILE 2 3HG2 ILE 2 -3.295 6.618 4.407
14 HD11 ILE 2 3HD1 ILE 2 -5.702 8.494 4.821
15 HD12 ILE 2 1HD1 ILE 2 -7.336 7.966 5.220
16 HD13 ILE 2 2HD1 ILE 2 -7.073 9.076 3.875
17 H GLN 3 HN GLN 3 -2.154 8.751 3.280
18 HA GLN 3 HA GLN 3 -0.470 7.065 1.568
19 HB2 GLN 3 HB2 GLN 3 0.487 9.385 3.231
20 HB3 GLN 3 HB1 GLN 3 1.242 8.673 1.812
21 HG2 GLN 3 HG2 GLN 3 -0.445 9.588 0.380
22 HG3 GLN 3 HG1 GLN 3 -1.374 10.157 1.765
23 HE21 GLN 3 1HE2 GLN 3 -1.323 12.278 1.021
24 HE22 GLN 3 2HE2 GLN 3 0.104 13.247 1.111
25 H CYS 4 HN CYS 4 1.881 7.031 2.911
26 HA CYS 4 HA CYS 4 1.604 6.254 5.645
27 HB2 CYS 4 HB2 CYS 4 2.485 3.850 5.040
28 HB3 CYS 4 HB1 CYS 4 0.759 4.194 5.038
29 HA PRO 5 HA PRO 5 5.910 7.178 5.715
30 HB2 PRO 5 HB2 PRO 5 6.858 5.272 7.465
31 HB3 PRO 5 HB1 PRO 5 6.051 6.765 7.955
32 HG2 PRO 5 HG2 PRO 5 4.932 4.005 7.689
33 HG3 PRO 5 HG1 PRO 5 4.633 5.220 8.946
34 HD2 PRO 5 HD2 PRO 5 2.862 4.774 6.982
35 HD3 PRO 5 HD1 PRO 5 3.145 6.407 7.622
36 H ASP 6 HN ASP 6 8.115 6.163 5.435
37 HA ASP 6 HA ASP 6 9.567 5.010 4.121
38 HB2 ASP 6 HB2 ASP 6 8.041 3.107 5.515
39 HB3 ASP 6 HB1 ASP 6 8.123 2.520 3.857
40 H SER 7 HN SER 7 9.194 3.030 2.188
41 HA SER 7 HA SER 7 8.791 2.836 -0.042
42 HG SER 7 HG SER 7 5.037 4.195 -0.101
43 HB2 SER 7 HB2 SER 7 6.565 2.705 -0.644
44 HB3 SER 7 HB1 SER 7 6.416 2.640 1.112
45 H GLN 8 HN GLN 8 7.328 4.389 -1.841
46 HA GLN 8 HA GLN 8 8.497 7.071 -1.606
47 HB2 GLN 8 HB2 GLN 8 8.693 5.311 -4.056
48 HB3 GLN 8 HB1 GLN 8 9.228 6.982 -3.952
49 HG2 GLN 8 HG2 GLN 8 10.863 6.336 -2.239
50 HG3 GLN 8 HG1 GLN 8 10.341 4.659 -2.395
51 HE21 GLN 8 1HE2 GLN 8 12.726 6.653 -3.199
52 HE22 GLN 8 2HE2 GLN 8 13.235 5.966 -4.699
53 H PHE 9 HN PHE 9 6.132 4.936 -3.074
54 HA PHE 9 HA PHE 9 4.667 7.228 -4.153
55 HD1 PHE 9 HD1 PHE 9 6.358 3.572 -4.945
56 HD2 PHE 9 HD2 PHE 9 2.213 3.750 -3.998
57 HE1 PHE 9 HE1 PHE 9 6.407 1.197 -4.302
58 HE2 PHE 9 HE2 PHE 9 2.255 1.377 -3.352
59 HZ PHE 9 HZ PHE 9 4.353 0.097 -3.502
60 HB2 PHE 9 HB2 PHE 9 3.262 5.497 -5.268
61 HB3 PHE 9 HB1 PHE 9 4.963 5.412 -5.712
62 H GLU 10 HN GLU 10 2.165 6.855 -4.024
63 HA GLU 10 HA GLU 10 1.411 5.982 -1.323
64 HB2 GLU 10 HB2 GLU 10 -0.216 8.137 -1.660
65 HB3 GLU 10 HB1 GLU 10 1.286 8.158 -0.746
66 HG2 GLU 10 HG2 GLU 10 1.718 8.613 -3.577
67 HG3 GLU 10 HG1 GLU 10 0.624 9.796 -2.862
68 H CYS 11 HN CYS 11 -0.284 4.664 -1.359
69 HA CYS 11 HA CYS 11 -1.777 4.303 -3.815
70 HB2 CYS 11 HB2 CYS 11 -0.932 2.545 -1.938
71 HB3 CYS 11 HB1 CYS 11 -2.581 2.813 -1.388
72 HA PRO 12 HA PRO 12 -5.259 6.684 -2.447
73 HB2 PRO 12 HB2 PRO 12 -7.092 5.935 -4.235
74 HB3 PRO 12 HB1 PRO 12 -5.646 6.824 -4.730
75 HG2 PRO 12 HG2 PRO 12 -6.239 3.901 -4.941
76 HG3 PRO 12 HG1 PRO 12 -5.440 4.970 -6.109
77 HD2 PRO 12 HD2 PRO 12 -4.128 3.272 -4.357
78 HD3 PRO 12 HD1 PRO 12 -3.401 4.693 -5.128
79 H ASP 13 HN ASP 13 -7.800 6.266 -2.236
80 HA ASP 13 HA ASP 13 -8.165 4.612 -0.016
81 HB2 ASP 13 HB2 ASP 13 -10.271 5.663 -1.916
82 HB3 ASP 13 HB1 ASP 13 -10.560 5.066 -0.285
83 H PHE 14 HN PHE 14 -7.977 3.768 -3.285
84 HA PHE 14 HA PHE 14 -9.790 1.665 -3.523
85 HD1 PHE 14 HD1 PHE 14 -9.893 0.278 -6.220
86 HD2 PHE 14 HD2 PHE 14 -8.426 4.257 -5.855
87 HE1 PHE 14 HE1 PHE 14 -11.441 1.006 -7.988
88 HE2 PHE 14 HE2 PHE 14 -9.972 4.992 -7.621
89 HZ PHE 14 HZ PHE 14 -11.482 3.366 -8.691
90 HB2 PHE 14 HB2 PHE 14 -7.249 2.424 -4.861
91 HB3 PHE 14 HB1 PHE 14 -7.792 0.763 -5.073
92 H SER 15 HN SER 15 -6.433 1.630 -2.356
93 HA SER 15 HA SER 15 -7.017 -0.683 -0.720
94 HG SER 15 HG SER 15 -5.021 0.140 -3.435
95 HB2 SER 15 HB2 SER 15 -4.715 -1.635 -1.787
96 HB3 SER 15 HB1 SER 15 -6.319 -2.111 -2.345
97 H THR 16 HN THR 16 -5.101 -1.278 0.655
98 HA THR 16 HA THR 16 -3.753 1.183 1.477
99 HB THR 16 HB THR 16 -5.010 -0.088 3.192
100 HG1 THR 16 HG1 THR 16 -2.880 1.121 3.532
101 HG21 THR 16 3HG2 THR 16 -2.875 -2.164 3.247
102 HG22 THR 16 1HG2 THR 16 -4.187 -2.337 2.081
103 HG23 THR 16 2HG2 THR 16 -4.546 -2.249 3.805
104 H CYS 17 HN CYS 17 -1.496 0.952 2.316
105 HA CYS 17 HA CYS 17 0.122 -0.329 0.289
106 HB2 CYS 17 HB2 CYS 17 1.960 0.758 1.896
107 HB3 CYS 17 HB1 CYS 17 1.063 1.710 0.717
108 H CYS 18 HN CYS 18 1.086 -2.235 0.479
109 HA CYS 18 HA CYS 18 1.556 -3.329 3.168
110 HG CYS 18 HG CYS 18 1.191 -6.036 3.903
111 HB2 CYS 18 HB2 CYS 18 -0.341 -4.295 1.384
112 HB3 CYS 18 HB1 CYS 18 1.033 -5.373 1.156
113 H VAL 19 HN VAL 19 3.222 -4.999 3.249
114 HA VAL 19 HA VAL 19 5.433 -4.318 1.485
115 HB VAL 19 HB VAL 19 5.447 -6.182 3.862
116 HG11 VAL 19 1HG1 VAL 19 7.863 -4.703 3.064
117 HG12 VAL 19 2HG1 VAL 19 7.326 -5.946 1.935
118 HG13 VAL 19 3HG1 VAL 19 7.679 -6.370 3.610
119 HG21 VAL 19 3HG2 VAL 19 6.570 -3.449 4.060
120 HG22 VAL 19 1HG2 VAL 19 5.785 -4.446 5.285
121 HG23 VAL 19 2HG2 VAL 19 4.813 -3.597 4.084
122 H MET 20 HN MET 20 6.245 -5.605 -0.060
123 HA MET 20 HA MET 20 4.779 -7.898 -0.900
124 HB2 MET 20 HB2 MET 20 7.214 -6.456 -1.846
125 HB3 MET 20 HB1 MET 20 6.935 -8.090 -2.433
126 HG2 MET 20 HG2 MET 20 5.088 -5.733 -2.719
127 HG3 MET 20 HG1 MET 20 6.037 -6.497 -3.992
128 HE1 MET 20 HE1 MET 20 3.830 -8.860 -5.519
129 HE2 MET 20 HE2 MET 20 5.292 -9.422 -4.707
130 HE3 MET 20 HE3 MET 20 5.273 -7.845 -5.498
131 H VAL 21 HN VAL 21 5.783 -10.029 -1.311
132 HA VAL 21 HA VAL 21 6.952 -11.051 1.088
133 HB VAL 21 HB VAL 21 7.050 -13.218 -0.196
134 HG11 VAL 21 1HG1 VAL 21 5.168 -12.857 1.186
135 HG12 VAL 21 2HG1 VAL 21 4.534 -13.408 -0.364
136 HG13 VAL 21 3HG1 VAL 21 4.468 -11.697 0.057
137 HG21 VAL 21 3HG2 VAL 21 5.737 -13.249 -2.332
138 HG22 VAL 21 1HG2 VAL 21 7.300 -12.439 -2.436
139 HG23 VAL 21 2HG2 VAL 21 5.819 -11.488 -2.333
140 H ASP 22 HN ASP 22 8.133 -10.231 -2.108
141 HA ASP 22 HA ASP 22 10.678 -11.483 -1.825
142 HB2 ASP 22 HB2 ASP 22 10.010 -11.121 -4.048
143 HB3 ASP 22 HB1 ASP 22 9.536 -9.455 -3.728
144 H GLY 23 HN GLY 23 9.399 -8.289 -1.118
145 HA2 GLY 23 HA2 GLY 23 10.686 -7.330 0.874
146 HA3 GLY 23 HA1 GLY 23 12.073 -7.451 -0.198
147 H SER 24 HN SER 24 9.626 -6.756 -2.207
148 HA SER 24 HA SER 24 10.383 -3.971 -2.376
149 HG SER 24 HG SER 24 10.238 -3.368 -4.710
150 HB2 SER 24 HB2 SER 24 9.228 -5.956 -4.146
151 HB3 SER 24 HB1 SER 24 8.322 -4.444 -4.212
152 H TRP 25 HN TRP 25 8.208 -2.651 -3.226
153 HA TRP 25 HA TRP 25 6.423 -2.712 -0.884
154 HD1 TRP 25 HD1 TRP 25 9.433 0.072 -0.699
155 HE1 TRP 25 HE1 TRP 25 9.419 0.617 1.817
156 HE3 TRP 25 HE3 TRP 25 4.529 -0.952 0.330
157 HZ2 TRP 25 HZ2 TRP 25 7.574 0.613 3.955
158 HZ3 TRP 25 HZ3 TRP 25 3.720 -0.656 2.635
159 HH2 TRP 25 HH2 TRP 25 5.212 0.110 4.408
160 HB2 TRP 25 HB2 TRP 25 7.651 -0.521 -2.447
161 HB3 TRP 25 HB1 TRP 25 5.976 -0.268 -1.968
162 H GLY 26 HN GLY 26 4.235 -2.824 -1.156
163 HA2 GLY 26 HA2 GLY 26 3.178 -2.636 -3.891
164 HA3 GLY 26 HA1 GLY 26 2.906 -4.115 -2.984
165 H CYS 27 HN CYS 27 0.657 -3.275 -3.653
166 HA CYS 27 HA CYS 27 -0.467 -1.937 -1.309
167 HB2 CYS 27 HB2 CYS 27 -0.184 -0.193 -3.041
168 HB3 CYS 27 HB1 CYS 27 -1.144 -1.157 -4.155
169 H CYS 28 HN CYS 28 -2.084 -3.121 -0.518
170 HA CYS 28 HA CYS 28 -3.650 -4.783 -2.378
171 HG CYS 28 HG CYS 28 -5.245 -6.307 0.220
172 HB2 CYS 28 HB2 CYS 28 -2.224 -6.353 -1.344
173 HB3 CYS 28 HB1 CYS 28 -2.375 -5.581 0.229
174 HA PRO 29 HA PRO 29 -7.275 -2.880 -0.707
175 HB2 PRO 29 HB2 PRO 29 -8.407 -5.635 -0.846
176 HB3 PRO 29 HB1 PRO 29 -9.052 -4.120 -1.489
177 HG2 PRO 29 HG2 PRO 29 -7.927 -5.895 -3.112
178 HG3 PRO 29 HG1 PRO 29 -7.653 -4.157 -3.342
179 HD2 PRO 29 HD2 PRO 29 -5.837 -6.228 -2.187
180 HD3 PRO 29 HD1 PRO 29 -5.449 -4.820 -3.196
181 H MET 30 HN MET 30 -7.752 -2.402 1.335
182 HA MET 30 HA MET 30 -6.928 -4.163 3.471
183 HB2 MET 30 HB2 MET 30 -8.024 -2.204 4.848
184 HB3 MET 30 HB1 MET 30 -6.460 -1.994 4.073
185 HG2 MET 30 HG2 MET 30 -7.224 -0.304 2.874
186 HG3 MET 30 HG1 MET 30 -8.542 -1.288 2.242
187 HE1 MET 30 HE1 MET 30 -8.295 2.202 3.968
188 HE2 MET 30 HE2 MET 30 -9.960 2.166 3.386
189 HE3 MET 30 HE3 MET 30 -8.658 1.542 2.373
190 HA PRO 31 HA PRO 31 -10.677 -6.332 4.283
191 HB2 PRO 31 HB2 PRO 31 -10.232 -5.574 7.130
192 HB3 PRO 31 HB1 PRO 31 -10.514 -7.167 6.421
193 HG2 PRO 31 HG2 PRO 31 -8.076 -6.440 7.209
194 HG3 PRO 31 HG1 PRO 31 -8.311 -7.397 5.735
195 HD2 PRO 31 HD2 PRO 31 -7.666 -4.502 6.036
196 HD3 PRO 31 HD1 PRO 31 -7.143 -5.654 4.790
197 H GLN 32 HN GLN 32 -10.199 -3.168 5.762
198 HA GLN 32 HA GLN 32 -12.907 -2.734 6.484
199 HB2 GLN 32 HB2 GLN 32 -10.434 -1.131 6.353
200 HB3 GLN 32 HB1 GLN 32 -11.924 -0.218 6.168
201 HG2 GLN 32 HG2 GLN 32 -12.614 -0.630 8.299
202 HG3 GLN 32 HG1 GLN 32 -11.752 -2.164 8.399
203 HE21 GLN 32 1HE2 GLN 32 -9.313 -1.922 8.309
204 HE22 GLN 32 2HE2 GLN 32 -8.633 -0.651 9.260
Start of MODEL 8
1 H ALA 1 HT1 ALA 1 -6.625 11.721 0.577
2 HA ALA 1 HA ALA 1 -6.031 8.824 0.412
3 HB1 ALA 1 HB1 ALA 1 -4.103 10.156 -1.013
4 HB2 ALA 1 HB2 ALA 1 -5.569 11.055 -1.406
5 HB3 ALA 1 HB3 ALA 1 -5.495 9.317 -1.698
6 H ILE 2 HN ILE 2 -4.539 8.129 1.791
7 HA ILE 2 HA ILE 2 -2.877 10.133 3.174
8 HB ILE 2 HB ILE 2 -2.755 7.915 4.780
9 HG12 ILE 2 2HG1 ILE 2 -5.683 8.146 4.421
10 HG13 ILE 2 1HG1 ILE 2 -4.829 7.268 3.156
11 HG21 ILE 2 1HG2 ILE 2 -4.941 9.618 5.576
12 HG22 ILE 2 2HG2 ILE 2 -3.597 10.563 4.936
13 HG23 ILE 2 3HG2 ILE 2 -3.332 9.450 6.277
14 HD11 ILE 2 3HD1 ILE 2 -4.362 5.526 4.501
15 HD12 ILE 2 1HD1 ILE 2 -5.767 6.124 5.382
16 HD13 ILE 2 2HD1 ILE 2 -4.143 6.541 5.926
17 H GLN 3 HN GLN 3 -0.710 9.879 3.188
18 HA GLN 3 HA GLN 3 0.396 7.780 1.512
19 HB2 GLN 3 HB2 GLN 3 2.013 9.897 2.899
20 HB3 GLN 3 HB1 GLN 3 2.350 9.068 1.386
21 HG2 GLN 3 HG2 GLN 3 1.515 10.810 0.317
22 HG3 GLN 3 HG1 GLN 3 -0.068 10.399 0.976
23 HE21 GLN 3 1HE2 GLN 3 2.207 12.775 0.723
24 HE22 GLN 3 2HE2 GLN 3 1.714 13.783 2.035
25 H CYS 4 HN CYS 4 0.829 5.885 2.428
26 HA CYS 4 HA CYS 4 1.153 5.451 5.187
27 HB2 CYS 4 HB2 CYS 4 1.728 3.188 4.612
28 HB3 CYS 4 HB1 CYS 4 0.468 3.724 3.507
29 HA PRO 5 HA PRO 5 5.291 6.588 6.190
30 HB2 PRO 5 HB2 PRO 5 5.509 3.892 7.442
31 HB3 PRO 5 HB1 PRO 5 5.850 5.484 8.130
32 HG2 PRO 5 HG2 PRO 5 3.627 4.170 8.782
33 HG3 PRO 5 HG1 PRO 5 3.613 5.928 8.551
34 HD2 PRO 5 HD2 PRO 5 2.604 3.770 6.756
35 HD3 PRO 5 HD1 PRO 5 1.961 5.401 7.035
36 H ASP 6 HN ASP 6 7.400 6.261 5.512
37 HA ASP 6 HA ASP 6 9.068 5.567 4.133
38 HB2 ASP 6 HB2 ASP 6 7.848 2.831 4.564
39 HB3 ASP 6 HB1 ASP 6 9.470 3.157 3.959
40 H SER 7 HN SER 7 9.165 3.536 2.196
41 HA SER 7 HA SER 7 8.665 3.124 0.018
42 HG SER 7 HG SER 7 5.415 2.798 -1.138
43 HB2 SER 7 HB2 SER 7 6.598 2.185 0.515
44 HB3 SER 7 HB1 SER 7 5.953 3.692 1.164
45 H GLN 8 HN GLN 8 7.961 4.170 -2.045
46 HA GLN 8 HA GLN 8 8.255 7.095 -1.837
47 HB2 GLN 8 HB2 GLN 8 9.076 6.712 -4.324
48 HB3 GLN 8 HB1 GLN 8 10.170 6.533 -2.960
49 HG2 GLN 8 HG2 GLN 8 9.860 4.126 -3.002
50 HG3 GLN 8 HG1 GLN 8 8.718 4.285 -4.335
51 HE21 GLN 8 1HE2 GLN 8 10.289 2.743 -5.292
52 HE22 GLN 8 2HE2 GLN 8 11.642 3.400 -6.142
53 H PHE 9 HN PHE 9 5.762 5.532 -1.820
54 HA PHE 9 HA PHE 9 4.328 7.097 -3.735
55 HD1 PHE 9 HD2 PHE 9 6.399 3.457 -4.107
56 HD2 PHE 9 HD1 PHE 9 2.147 3.543 -3.947
57 HE1 PHE 9 HE2 PHE 9 6.380 1.097 -3.408
58 HE2 PHE 9 HE1 PHE 9 2.121 1.183 -3.247
59 HZ PHE 9 HZ PHE 9 4.241 -0.042 -2.977
60 HB2 PHE 9 HB2 PHE 9 3.370 5.292 -5.040
61 HB3 PHE 9 HB1 PHE 9 5.124 5.240 -5.173
62 H GLU 10 HN GLU 10 1.924 6.419 -3.719
63 HA GLU 10 HA GLU 10 1.179 5.424 -1.052
64 HB2 GLU 10 HB2 GLU 10 -0.599 7.135 -0.955
65 HB3 GLU 10 HB1 GLU 10 1.009 7.843 -0.982
66 HG2 GLU 10 HG2 GLU 10 0.775 8.557 -3.206
67 HG3 GLU 10 HG1 GLU 10 -0.636 7.533 -3.470
68 H CYS 11 HN CYS 11 -1.347 5.117 -1.030
69 HA CYS 11 HA CYS 11 -2.057 3.704 -3.516
70 HB2 CYS 11 HB2 CYS 11 -2.896 3.031 -0.689
71 HB3 CYS 11 HB1 CYS 11 -3.346 2.140 -2.139
72 HA PRO 12 HA PRO 12 -5.352 6.847 -2.965
73 HB2 PRO 12 HB2 PRO 12 -5.291 7.898 -5.414
74 HB3 PRO 12 HB1 PRO 12 -4.054 8.313 -4.219
75 HG2 PRO 12 HG2 PRO 12 -3.901 6.425 -6.528
76 HG3 PRO 12 HG1 PRO 12 -2.678 7.555 -5.921
77 HD2 PRO 12 HD2 PRO 12 -2.773 4.828 -5.365
78 HD3 PRO 12 HD1 PRO 12 -1.878 6.036 -4.424
79 H ASP 13 HN ASP 13 -6.735 4.922 -2.799
80 HA ASP 13 HA ASP 13 -8.639 4.803 -4.887
81 HB2 ASP 13 HB2 ASP 13 -6.633 3.326 -5.682
82 HB3 ASP 13 HB1 ASP 13 -7.269 2.159 -4.527
83 H PHE 14 HN PHE 14 -7.685 2.003 -2.973
84 HA PHE 14 HA PHE 14 -9.411 2.556 -0.778
85 HD1 PHE 14 HD1 PHE 14 -9.327 0.731 -4.391
86 HD2 PHE 14 HD2 PHE 14 -11.522 -1.158 -1.271
87 HE1 PHE 14 HE1 PHE 14 -9.134 -1.422 -5.564
88 HE2 PHE 14 HE2 PHE 14 -11.331 -3.315 -2.438
89 HZ PHE 14 HZ PHE 14 -10.135 -3.449 -4.588
90 HB2 PHE 14 HB2 PHE 14 -11.217 1.107 -1.192
91 HB3 PHE 14 HB1 PHE 14 -10.995 1.961 -2.715
92 H SER 15 HN SER 15 -6.816 1.176 -2.036
93 HA SER 15 HA SER 15 -6.842 -1.213 -0.335
94 HG SER 15 HG SER 15 -3.935 -0.667 -3.105
95 HB2 SER 15 HB2 SER 15 -4.878 -1.939 -1.582
96 HB3 SER 15 HB1 SER 15 -6.164 -1.495 -2.706
97 H THR 16 HN THR 16 -4.869 -1.699 0.903
98 HA THR 16 HA THR 16 -3.809 0.749 2.130
99 HB THR 16 HB THR 16 -5.024 -0.797 3.632
100 HG1 THR 16 HG1 THR 16 -3.570 -0.510 5.230
101 HG21 THR 16 3HG2 THR 16 -2.744 -2.708 3.124
102 HG22 THR 16 1HG2 THR 16 -4.365 -2.892 2.456
103 HG23 THR 16 2HG2 THR 16 -4.118 -2.956 4.201
104 H CYS 17 HN CYS 17 -1.565 0.432 3.122
105 HA CYS 17 HA CYS 17 0.216 -0.385 0.990
106 HB2 CYS 17 HB2 CYS 17 0.378 1.328 3.380
107 HB3 CYS 17 HB1 CYS 17 1.849 0.427 3.030
108 H CYS 18 HN CYS 18 1.019 -2.362 0.855
109 HA CYS 18 HA CYS 18 1.539 -3.853 3.341
110 HG CYS 18 HG CYS 18 2.428 -6.329 0.760
111 HB2 CYS 18 HB2 CYS 18 0.327 -5.615 2.652
112 HB3 CYS 18 HB1 CYS 18 -0.379 -4.520 1.469
113 H VAL 19 HN VAL 19 3.308 -5.318 3.293
114 HA VAL 19 HA VAL 19 5.310 -4.637 1.245
115 HB VAL 19 HB VAL 19 6.103 -5.998 3.776
116 HG11 VAL 19 1HG1 VAL 19 8.166 -5.187 3.305
117 HG12 VAL 19 2HG1 VAL 19 7.542 -3.677 2.639
118 HG13 VAL 19 3HG1 VAL 19 7.509 -5.150 1.669
119 HG21 VAL 19 3HG2 VAL 19 6.337 -3.252 4.286
120 HG22 VAL 19 1HG2 VAL 19 5.297 -4.413 5.111
121 HG23 VAL 19 2HG2 VAL 19 4.682 -3.501 3.732
122 H MET 20 HN MET 20 5.198 -6.138 -0.316
123 HA MET 20 HA MET 20 4.404 -8.807 0.013
124 HB2 MET 20 HB2 MET 20 6.021 -7.456 -2.147
125 HB3 MET 20 HB1 MET 20 5.511 -9.136 -2.242
126 HG2 MET 20 HG2 MET 20 3.143 -8.080 -1.767
127 HG3 MET 20 HG1 MET 20 3.909 -6.649 -2.453
128 HE1 MET 20 HE1 MET 20 5.749 -7.513 -4.793
129 HE2 MET 20 HE2 MET 20 4.492 -6.275 -4.813
130 HE3 MET 20 HE3 MET 20 4.553 -7.489 -6.090
131 H VAL 21 HN VAL 21 5.801 -10.718 -0.530
132 HA VAL 21 HA VAL 21 7.965 -10.843 1.337
133 HB VAL 21 HB VAL 21 7.323 -12.962 -0.701
134 HG11 VAL 21 1HG1 VAL 21 8.970 -12.761 1.685
135 HG12 VAL 21 2HG1 VAL 21 8.991 -13.962 0.393
136 HG13 VAL 21 3HG1 VAL 21 7.861 -14.131 1.737
137 HG21 VAL 21 3HG2 VAL 21 6.015 -13.383 1.829
138 HG22 VAL 21 1HG2 VAL 21 5.336 -13.390 0.201
139 HG23 VAL 21 2HG2 VAL 21 5.476 -11.875 1.093
140 H ASP 22 HN ASP 22 7.698 -10.199 -2.033
141 HA ASP 22 HA ASP 22 10.135 -11.084 -3.022
142 HB2 ASP 22 HB2 ASP 22 8.441 -8.696 -3.744
143 HB3 ASP 22 HB1 ASP 22 9.905 -9.112 -4.629
144 H GLY 23 HN GLY 23 9.392 -7.824 -1.757
145 HA2 GLY 23 HA2 GLY 23 11.239 -7.202 -0.043
146 HA3 GLY 23 HA1 GLY 23 12.279 -7.363 -1.450
147 H SER 24 HN SER 24 9.033 -6.088 -1.660
148 HA SER 24 HA SER 24 9.988 -3.340 -1.675
149 HG SER 24 HG SER 24 8.780 -5.756 -3.708
150 HB2 SER 24 HB2 SER 24 8.504 -3.256 -3.954
151 HB3 SER 24 HB1 SER 24 10.261 -3.412 -3.928
152 H TRP 25 HN TRP 25 8.087 -1.814 -2.114
153 HA TRP 25 HA TRP 25 5.892 -2.678 -0.413
154 HD1 TRP 25 HD1 TRP 25 8.969 -0.427 0.084
155 HE1 TRP 25 HE1 TRP 25 9.268 -0.129 2.623
156 HE3 TRP 25 HE3 TRP 25 4.052 -0.389 1.479
157 HZ2 TRP 25 HZ2 TRP 25 7.633 0.091 4.914
158 HZ3 TRP 25 HZ3 TRP 25 3.504 -0.130 3.864
159 HH2 TRP 25 HH2 TRP 25 5.258 0.105 5.545
160 HB2 TRP 25 HB2 TRP 25 6.782 -0.012 -1.492
161 HB3 TRP 25 HB1 TRP 25 5.210 -0.208 -0.721
162 H GLY 26 HN GLY 26 3.702 -2.566 -0.987
163 HA2 GLY 26 HA2 GLY 26 2.981 -1.966 -3.735
164 HA3 GLY 26 HA1 GLY 26 2.833 -3.657 -3.279
165 H CYS 27 HN CYS 27 0.758 -1.754 -4.087
166 HA CYS 27 HA CYS 27 -0.762 -1.230 -1.675
167 HB2 CYS 27 HB2 CYS 27 -1.371 -0.785 -4.602
168 HB3 CYS 27 HB1 CYS 27 -2.487 -0.379 -3.302
169 H CYS 28 HN CYS 28 -1.814 -2.841 -0.727
170 HA CYS 28 HA CYS 28 -3.166 -4.826 -2.437
171 HG CYS 28 HG CYS 28 -0.259 -7.194 -1.219
172 HB2 CYS 28 HB2 CYS 28 -1.418 -5.165 -0.084
173 HB3 CYS 28 HB1 CYS 28 -2.881 -6.145 -0.076
174 HA PRO 29 HA PRO 29 -7.008 -3.424 -0.742
175 HB2 PRO 29 HB2 PRO 29 -7.731 -6.312 -0.852
176 HB3 PRO 29 HB1 PRO 29 -8.588 -4.911 -1.505
177 HG2 PRO 29 HG2 PRO 29 -7.226 -6.536 -3.112
178 HG3 PRO 29 HG1 PRO 29 -7.223 -4.783 -3.376
179 HD2 PRO 29 HD2 PRO 29 -5.101 -6.531 -2.216
180 HD3 PRO 29 HD1 PRO 29 -4.941 -5.094 -3.246
181 H MET 30 HN MET 30 -8.168 -3.451 1.186
182 HA MET 30 HA MET 30 -7.033 -5.128 3.327
183 HB2 MET 30 HB2 MET 30 -7.916 -3.109 4.780
184 HB3 MET 30 HB1 MET 30 -6.337 -3.046 4.009
185 HG2 MET 30 HG2 MET 30 -7.030 -1.544 2.404
186 HG3 MET 30 HG1 MET 30 -8.729 -1.979 2.583
187 HE1 MET 30 HE1 MET 30 -6.219 0.648 3.132
188 HE2 MET 30 HE2 MET 30 -7.292 1.820 3.899
189 HE3 MET 30 HE3 MET 30 -7.764 1.051 2.382
190 HA PRO 31 HA PRO 31 -11.198 -6.847 3.334
191 HB2 PRO 31 HB2 PRO 31 -10.187 -7.782 5.983
192 HB3 PRO 31 HB1 PRO 31 -11.005 -8.690 4.706
193 HG2 PRO 31 HG2 PRO 31 -8.383 -8.933 5.058
194 HG3 PRO 31 HG1 PRO 31 -9.077 -8.883 3.426
195 HD2 PRO 31 HD2 PRO 31 -7.604 -6.767 4.927
196 HD3 PRO 31 HD1 PRO 31 -7.591 -7.138 3.191
197 H GLN 32 HN GLN 32 -12.657 -5.258 3.669
198 HA GLN 32 HA GLN 32 -12.662 -3.745 6.149
199 HB2 GLN 32 HB2 GLN 32 -13.068 -2.655 3.940
200 HB3 GLN 32 HB1 GLN 32 -14.564 -3.569 3.806
201 HG2 GLN 32 HG2 GLN 32 -15.557 -1.847 4.784
202 HG3 GLN 32 HG1 GLN 32 -14.769 -2.360 6.276
203 HE21 GLN 32 1HE2 GLN 32 -15.520 0.313 5.078
204 HE22 GLN 32 2HE2 GLN 32 -14.075 1.252 5.204
Start of MODEL 9
1 H ALA 1 HT1 ALA 1 -7.041 7.832 -1.434
2 HA ALA 1 HA ALA 1 -4.903 7.187 -1.555
3 HB1 ALA 1 HB1 ALA 1 -3.948 8.484 -3.134
4 HB2 ALA 1 HB2 ALA 1 -4.081 9.951 -2.164
5 HB3 ALA 1 HB3 ALA 1 -5.484 9.347 -3.045
6 H ILE 2 HN ILE 2 -4.027 6.582 0.375
7 HA ILE 2 HA ILE 2 -2.891 8.635 2.122
8 HB ILE 2 HB ILE 2 -2.701 5.726 2.760
9 HG12 ILE 2 2HG1 ILE 2 -5.122 6.735 3.868
10 HG13 ILE 2 1HG1 ILE 2 -5.170 7.018 2.132
11 HG21 ILE 2 1HG2 ILE 2 -1.810 6.791 4.528
12 HG22 ILE 2 2HG2 ILE 2 -3.493 7.013 5.004
13 HG23 ILE 2 3HG2 ILE 2 -2.637 8.307 4.165
14 HD11 ILE 2 3HD1 ILE 2 -4.894 4.709 1.668
15 HD12 ILE 2 1HD1 ILE 2 -6.154 4.854 2.894
16 HD13 ILE 2 2HD1 ILE 2 -4.527 4.352 3.356
17 H GLN 3 HN GLN 3 -0.703 8.493 2.869
18 HA GLN 3 HA GLN 3 1.078 7.102 0.978
19 HB2 GLN 3 HB2 GLN 3 1.449 9.777 2.332
20 HB3 GLN 3 HB1 GLN 3 2.709 8.951 1.425
21 HG2 GLN 3 HG2 GLN 3 1.930 9.726 -0.494
22 HG3 GLN 3 HG1 GLN 3 0.307 9.137 -0.140
23 HE21 GLN 3 1HE2 GLN 3 -1.161 10.664 -0.203
24 HE22 GLN 3 2HE2 GLN 3 -0.942 12.317 0.248
25 H CYS 4 HN CYS 4 2.376 5.630 1.833
26 HA CYS 4 HA CYS 4 2.412 5.082 4.612
27 HB2 CYS 4 HB2 CYS 4 3.339 3.832 2.198
28 HB3 CYS 4 HB1 CYS 4 4.623 3.800 3.401
29 HA PRO 5 HA PRO 5 5.569 7.880 5.976
30 HB2 PRO 5 HB2 PRO 5 6.124 5.898 8.092
31 HB3 PRO 5 HB1 PRO 5 5.590 7.575 8.235
32 HG2 PRO 5 HG2 PRO 5 3.933 5.535 8.751
33 HG3 PRO 5 HG1 PRO 5 3.358 7.026 7.980
34 HD2 PRO 5 HD2 PRO 5 3.986 4.372 6.743
35 HD3 PRO 5 HD1 PRO 5 2.642 5.484 6.404
36 H ASP 6 HN ASP 6 6.181 4.509 5.355
37 HA ASP 6 HA ASP 6 9.036 4.709 5.627
38 HB2 ASP 6 HB2 ASP 6 7.324 2.545 4.386
39 HB3 ASP 6 HB1 ASP 6 9.052 2.416 4.703
40 H SER 7 HN SER 7 7.467 3.379 2.763
41 HA SER 7 HA SER 7 9.439 4.401 1.020
42 HG SER 7 HG SER 7 8.936 4.006 -1.167
43 HB2 SER 7 HB2 SER 7 8.131 2.362 0.541
44 HB3 SER 7 HB1 SER 7 6.681 3.347 0.346
45 H GLN 8 HN GLN 8 8.692 5.633 -1.047
46 HA GLN 8 HA GLN 8 7.248 8.035 -0.144
47 HB2 GLN 8 HB2 GLN 8 9.764 7.659 -1.524
48 HB3 GLN 8 HB1 GLN 8 8.685 8.681 -2.460
49 HG2 GLN 8 HG2 GLN 8 9.119 10.404 -1.153
50 HG3 GLN 8 HG1 GLN 8 8.605 9.499 0.271
51 HE21 GLN 8 1HE2 GLN 8 11.296 10.474 -1.696
52 HE22 GLN 8 2HE2 GLN 8 12.537 10.027 -0.580
53 H PHE 9 HN PHE 9 5.569 6.136 -0.941
54 HA PHE 9 HA PHE 9 4.612 7.158 -3.508
55 HD1 PHE 9 HD1 PHE 9 5.527 4.257 -1.057
56 HD2 PHE 9 HD2 PHE 9 3.199 3.050 -4.409
57 HE1 PHE 9 HE1 PHE 9 4.835 2.233 0.156
58 HE2 PHE 9 HE2 PHE 9 2.502 1.024 -3.200
59 HZ PHE 9 HZ PHE 9 3.321 0.613 -0.915
60 HB2 PHE 9 HB2 PHE 9 4.293 5.052 -4.495
61 HB3 PHE 9 HB1 PHE 9 5.892 4.943 -3.770
62 H GLU 10 HN GLU 10 2.326 6.727 -3.888
63 HA GLU 10 HA GLU 10 0.846 6.480 -1.354
64 HB2 GLU 10 HB2 GLU 10 -0.943 7.790 -2.549
65 HB3 GLU 10 HB1 GLU 10 0.544 8.673 -2.233
66 HG2 GLU 10 HG2 GLU 10 0.370 7.303 -4.838
67 HG3 GLU 10 HG1 GLU 10 -0.712 8.674 -4.596
68 H CYS 11 HN CYS 11 -1.559 5.870 -1.836
69 HA CYS 11 HA CYS 11 -1.753 3.818 -3.907
70 HB2 CYS 11 HB2 CYS 11 -1.087 2.437 -2.133
71 HB3 CYS 11 HB1 CYS 11 -2.005 3.355 -0.948
72 HA PRO 12 HA PRO 12 -5.747 5.826 -4.011
73 HB2 PRO 12 HB2 PRO 12 -6.584 4.851 -6.351
74 HB3 PRO 12 HB1 PRO 12 -5.262 6.021 -6.270
75 HG2 PRO 12 HG2 PRO 12 -5.150 3.060 -6.648
76 HG3 PRO 12 HG1 PRO 12 -4.185 4.326 -7.426
77 HD2 PRO 12 HD2 PRO 12 -3.357 2.785 -5.272
78 HD3 PRO 12 HD1 PRO 12 -2.663 4.351 -5.732
79 H ASP 13 HN ASP 13 -8.047 4.947 -4.777
80 HA ASP 13 HA ASP 13 -9.852 3.688 -4.207
81 HB2 ASP 13 HB2 ASP 13 -7.926 1.359 -4.291
82 HB3 ASP 13 HB1 ASP 13 -9.676 1.289 -4.470
83 H PHE 14 HN PHE 14 -10.210 1.455 -2.647
84 HA PHE 14 HA PHE 14 -9.583 2.526 -0.005
85 HD1 PHE 14 HD1 PHE 14 -11.184 -1.293 -1.332
86 HD2 PHE 14 HD2 PHE 14 -13.004 2.529 -1.764
87 HE1 PHE 14 HE1 PHE 14 -12.452 -2.119 -3.274
88 HE2 PHE 14 HE2 PHE 14 -14.276 1.710 -3.704
89 HZ PHE 14 HZ PHE 14 -14.001 -0.617 -4.462
90 HB2 PHE 14 HB2 PHE 14 -11.182 0.383 0.491
91 HB3 PHE 14 HB1 PHE 14 -11.778 2.011 0.190
92 H SER 15 HN SER 15 -7.288 1.728 -0.746
93 HA SER 15 HA SER 15 -6.913 -0.927 0.463
94 HG SER 15 HG SER 15 -5.814 -0.165 -3.273
95 HB2 SER 15 HB2 SER 15 -4.801 -0.827 -1.222
96 HB3 SER 15 HB1 SER 15 -6.341 -1.577 -1.642
97 H THR 16 HN THR 16 -4.337 -1.167 0.760
98 HA THR 16 HA THR 16 -3.278 1.321 1.896
99 HB THR 16 HB THR 16 -4.403 -0.083 3.688
100 HG1 THR 16 HG1 THR 16 -3.018 1.183 4.688
101 HG21 THR 16 3HG2 THR 16 -2.798 -2.112 2.517
102 HG22 THR 16 1HG2 THR 16 -3.912 -2.245 3.879
103 HG23 THR 16 2HG2 THR 16 -2.217 -1.845 4.161
104 H CYS 17 HN CYS 17 -0.911 0.955 2.605
105 HA CYS 17 HA CYS 17 0.452 -0.258 0.355
106 HB2 CYS 17 HB2 CYS 17 2.471 0.633 1.924
107 HB3 CYS 17 HB1 CYS 17 1.615 1.643 0.765
108 H CYS 18 HN CYS 18 0.589 -2.412 0.460
109 HA CYS 18 HA CYS 18 1.309 -3.689 2.993
110 HG CYS 18 HG CYS 18 -1.556 -6.115 2.532
111 HB2 CYS 18 HB2 CYS 18 -0.461 -4.392 0.948
112 HB3 CYS 18 HB1 CYS 18 0.893 -5.503 0.768
113 H VAL 19 HN VAL 19 2.895 -5.478 2.920
114 HA VAL 19 HA VAL 19 5.163 -4.746 1.194
115 HB VAL 19 HB VAL 19 5.471 -6.499 3.599
116 HG11 VAL 19 1HG1 VAL 19 7.607 -4.923 3.597
117 HG12 VAL 19 2HG1 VAL 19 7.172 -4.765 1.895
118 HG13 VAL 19 3HG1 VAL 19 7.500 -6.358 2.578
119 HG21 VAL 19 3HG2 VAL 19 4.396 -4.845 4.761
120 HG22 VAL 19 1HG2 VAL 19 4.838 -3.591 3.602
121 HG23 VAL 19 2HG2 VAL 19 6.034 -4.192 4.749
122 H MET 20 HN MET 20 5.642 -6.073 -0.415
123 HA MET 20 HA MET 20 4.370 -8.593 -0.749
124 HB2 MET 20 HB2 MET 20 6.375 -6.988 -2.251
125 HB3 MET 20 HB1 MET 20 6.285 -8.708 -2.606
126 HG2 MET 20 HG2 MET 20 3.710 -8.197 -2.776
127 HG3 MET 20 HG1 MET 20 4.292 -6.562 -3.090
128 HE1 MET 20 HE1 MET 20 3.051 -9.062 -5.998
129 HE2 MET 20 HE2 MET 20 3.082 -7.313 -6.221
130 HE3 MET 20 HE3 MET 20 2.501 -8.000 -4.702
131 H VAL 21 HN VAL 21 5.762 -10.563 -1.376
132 HA VAL 21 HA VAL 21 7.238 -11.329 0.947
133 HB VAL 21 HB VAL 21 7.680 -13.444 -0.395
134 HG11 VAL 21 1HG1 VAL 21 5.143 -12.398 0.620
135 HG12 VAL 21 2HG1 VAL 21 5.961 -13.923 0.959
136 HG13 VAL 21 3HG1 VAL 21 4.971 -13.756 -0.492
137 HG21 VAL 21 3HG2 VAL 21 7.527 -12.799 -2.630
138 HG22 VAL 21 1HG2 VAL 21 6.038 -11.892 -2.366
139 HG23 VAL 21 2HG2 VAL 21 6.012 -13.655 -2.345
140 H ASP 22 HN ASP 22 8.067 -10.344 -2.316
141 HA ASP 22 HA ASP 22 10.795 -11.124 -2.217
142 HB2 ASP 22 HB2 ASP 22 9.047 -9.966 -4.120
143 HB3 ASP 22 HB1 ASP 22 10.411 -8.866 -3.950
144 H GLY 23 HN GLY 23 9.037 -8.404 -1.004
145 HA2 GLY 23 HA2 GLY 23 10.126 -7.181 0.823
146 HA3 GLY 23 HA1 GLY 23 11.593 -7.195 -0.145
147 H SER 24 HN SER 24 9.323 -6.715 -2.377
148 HA SER 24 HA SER 24 9.856 -3.893 -2.533
149 HG SER 24 HG SER 24 10.654 -5.339 -4.856
150 HB2 SER 24 HB2 SER 24 7.900 -5.332 -4.305
151 HB3 SER 24 HB1 SER 24 8.966 -3.982 -4.695
152 H TRP 25 HN TRP 25 8.072 -2.322 -2.942
153 HA TRP 25 HA TRP 25 6.026 -2.669 -0.897
154 HD1 TRP 25 HD1 TRP 25 9.161 -0.028 -0.634
155 HE1 TRP 25 HE1 TRP 25 9.310 0.327 1.911
156 HE3 TRP 25 HE3 TRP 25 4.276 -0.902 0.593
157 HZ2 TRP 25 HZ2 TRP 25 7.582 0.246 4.145
158 HZ3 TRP 25 HZ3 TRP 25 3.606 -0.744 2.955
159 HH2 TRP 25 HH2 TRP 25 5.225 -0.182 4.693
160 HB2 TRP 25 HB2 TRP 25 7.229 -0.343 -2.320
161 HB3 TRP 25 HB1 TRP 25 5.591 -0.170 -1.699
162 H GLY 26 HN GLY 26 3.914 -2.946 -1.286
163 HA2 GLY 26 HA2 GLY 26 2.832 -2.346 -3.936
164 HA3 GLY 26 HA1 GLY 26 2.749 -4.018 -3.398
165 H CYS 27 HN CYS 27 0.932 -1.377 -3.725
166 HA CYS 27 HA CYS 27 -0.452 -1.497 -1.177
167 HB2 CYS 27 HB2 CYS 27 -0.838 0.639 -1.700
168 HB3 CYS 27 HB1 CYS 27 -0.239 0.398 -3.335
169 H CYS 28 HN CYS 28 -2.224 -2.642 -0.762
170 HA CYS 28 HA CYS 28 -3.924 -3.573 -2.941
171 HG CYS 28 HG CYS 28 -4.013 -6.796 -0.166
172 HB2 CYS 28 HB2 CYS 28 -3.685 -5.851 -2.545
173 HB3 CYS 28 HB1 CYS 28 -2.035 -5.273 -2.346
174 HA PRO 29 HA PRO 29 -7.228 -2.773 -0.140
175 HB2 PRO 29 HB2 PRO 29 -8.896 -4.905 -0.669
176 HB3 PRO 29 HB1 PRO 29 -8.793 -3.443 -1.654
177 HG2 PRO 29 HG2 PRO 29 -7.498 -6.105 -2.072
178 HG3 PRO 29 HG1 PRO 29 -8.251 -5.025 -3.261
179 HD2 PRO 29 HD2 PRO 29 -5.588 -5.172 -3.002
180 HD3 PRO 29 HD1 PRO 29 -6.398 -3.629 -3.351
181 H MET 30 HN MET 30 -8.121 -3.402 1.843
182 HA MET 30 HA MET 30 -6.723 -5.643 3.128
183 HB2 MET 30 HB2 MET 30 -7.833 -3.051 4.130
184 HB3 MET 30 HB1 MET 30 -7.680 -4.404 5.241
185 HG2 MET 30 HG2 MET 30 -5.538 -2.881 3.820
186 HG3 MET 30 HG1 MET 30 -5.714 -3.223 5.540
187 HE1 MET 30 HE1 MET 30 -4.193 -4.608 6.641
188 HE2 MET 30 HE2 MET 30 -3.689 -6.226 6.152
189 HE3 MET 30 HE3 MET 30 -5.386 -5.900 6.502
190 HA PRO 31 HA PRO 31 -10.633 -7.784 3.217
191 HB2 PRO 31 HB2 PRO 31 -9.883 -9.877 4.746
192 HB3 PRO 31 HB1 PRO 31 -9.366 -9.705 3.064
193 HG2 PRO 31 HG2 PRO 31 -7.877 -9.045 5.579
194 HG3 PRO 31 HG1 PRO 31 -7.299 -9.878 4.124
195 HD2 PRO 31 HD2 PRO 31 -6.811 -7.251 4.607
196 HD3 PRO 31 HD1 PRO 31 -6.990 -7.911 2.968
197 H GLN 32 HN GLN 32 -11.458 -9.326 5.381
198 HA GLN 32 HA GLN 32 -11.625 -7.432 7.622
199 HB2 GLN 32 HB2 GLN 32 -14.020 -7.795 7.823
200 HB3 GLN 32 HB1 GLN 32 -13.641 -7.168 6.225
201 HG2 GLN 32 HG2 GLN 32 -14.949 -8.813 5.487
202 HG3 GLN 32 HG1 GLN 32 -13.557 -9.852 5.791
203 HE21 GLN 32 1HE2 GLN 32 -13.772 -11.467 7.194
204 HE22 GLN 32 2HE2 GLN 32 -15.118 -11.702 8.250
Start of MODEL 10
1 H ALA 1 HT1 ALA 1 -6.570 9.847 1.270
2 HA ALA 1 HA ALA 1 -5.292 8.035 -0.442
3 HB1 ALA 1 HB1 ALA 1 -4.979 10.345 -1.639
4 HB2 ALA 1 HB2 ALA 1 -3.628 9.221 -1.488
5 HB3 ALA 1 HB3 ALA 1 -3.762 10.591 -0.386
6 H ILE 2 HN ILE 2 -3.804 6.971 0.758
7 HA ILE 2 HA ILE 2 -3.109 8.149 3.370
8 HB ILE 2 HB ILE 2 -2.821 5.241 3.141
9 HG12 ILE 2 2HG1 ILE 2 -5.562 5.522 3.684
10 HG13 ILE 2 1HG1 ILE 2 -5.274 6.474 2.232
11 HG21 ILE 2 1HG2 ILE 2 -4.437 5.780 5.277
12 HG22 ILE 2 2HG2 ILE 2 -3.520 7.279 5.113
13 HG23 ILE 2 3HG2 ILE 2 -2.675 5.744 5.315
14 HD11 ILE 2 3HD1 ILE 2 -4.295 3.655 2.490
15 HD12 ILE 2 1HD1 ILE 2 -4.527 4.617 1.029
16 HD13 ILE 2 2HD1 ILE 2 -5.926 4.038 1.935
17 H GLN 3 HN GLN 3 -1.126 9.000 3.032
18 HA GLN 3 HA GLN 3 0.863 7.746 1.408
19 HB2 GLN 3 HB2 GLN 3 0.479 10.285 2.333
20 HB3 GLN 3 HB1 GLN 3 1.771 9.728 3.387
21 HG2 GLN 3 HG2 GLN 3 3.293 9.827 1.765
22 HG3 GLN 3 HG1 GLN 3 2.217 9.079 0.584
23 HE21 GLN 3 1HE2 GLN 3 3.912 11.779 1.224
24 HE22 GLN 3 2HE2 GLN 3 2.993 12.937 0.331
25 H CYS 4 HN CYS 4 1.189 5.678 2.235
26 HA CYS 4 HA CYS 4 1.779 5.148 4.959
27 HB2 CYS 4 HB2 CYS 4 2.817 2.995 3.789
28 HB3 CYS 4 HB1 CYS 4 1.077 3.224 3.931
29 HA PRO 5 HA PRO 5 5.984 6.576 5.139
30 HB2 PRO 5 HB2 PRO 5 6.281 4.587 7.309
31 HB3 PRO 5 HB1 PRO 5 6.521 6.336 7.347
32 HG2 PRO 5 HG2 PRO 5 4.399 5.212 8.517
33 HG3 PRO 5 HG1 PRO 5 4.271 6.771 7.682
34 HD2 PRO 5 HD2 PRO 5 3.449 4.046 6.746
35 HD3 PRO 5 HD1 PRO 5 2.609 5.601 6.563
36 H ASP 6 HN ASP 6 8.179 5.741 4.995
37 HA ASP 6 HA ASP 6 9.788 4.445 4.055
38 HB2 ASP 6 HB2 ASP 6 8.015 2.493 5.413
39 HB3 ASP 6 HB1 ASP 6 9.142 1.837 4.230
40 H SER 7 HN SER 7 7.054 5.065 2.632
41 HA SER 7 HA SER 7 7.583 3.326 0.311
42 HG SER 7 HG SER 7 4.924 4.992 -0.632
43 HB2 SER 7 HB2 SER 7 5.447 2.657 0.895
44 HB3 SER 7 HB1 SER 7 5.010 4.243 1.529
45 H GLN 8 HN GLN 8 7.476 4.263 -1.754
46 HA GLN 8 HA GLN 8 7.939 7.154 -1.746
47 HB2 GLN 8 HB2 GLN 8 9.255 5.040 -2.994
48 HB3 GLN 8 HB1 GLN 8 8.367 5.824 -4.292
49 HG2 GLN 8 HG2 GLN 8 10.151 7.158 -4.418
50 HG3 GLN 8 HG1 GLN 8 9.442 7.966 -3.021
51 HE21 GLN 8 1HE2 GLN 8 11.653 5.361 -3.925
52 HE22 GLN 8 2HE2 GLN 8 12.698 5.534 -2.559
53 H PHE 9 HN PHE 9 5.959 4.681 -3.312
54 HA PHE 9 HA PHE 9 4.530 6.676 -4.863
55 HD1 PHE 9 HD2 PHE 9 3.628 2.964 -3.129
56 HD2 PHE 9 HD1 PHE 9 6.292 3.424 -6.415
57 HE1 PHE 9 HE2 PHE 9 4.789 0.896 -2.473
58 HE2 PHE 9 HE1 PHE 9 7.457 1.357 -5.765
59 HZ PHE 9 HZ PHE 9 6.707 0.091 -3.792
60 HB2 PHE 9 HB2 PHE 9 3.114 4.384 -5.246
61 HB3 PHE 9 HB1 PHE 9 4.506 4.863 -6.210
62 H GLU 10 HN GLU 10 2.359 7.194 -4.647
63 HA GLU 10 HA GLU 10 1.287 6.785 -1.955
64 HB2 GLU 10 HB2 GLU 10 0.355 8.698 -4.102
65 HB3 GLU 10 HB1 GLU 10 -0.172 8.672 -2.425
66 HG2 GLU 10 HG2 GLU 10 1.465 10.048 -1.879
67 HG3 GLU 10 HG1 GLU 10 2.655 8.878 -2.447
68 H CYS 11 HN CYS 11 -0.574 5.722 -1.553
69 HA CYS 11 HA CYS 11 -1.939 4.501 -3.858
70 HB2 CYS 11 HB2 CYS 11 -1.869 3.514 -1.003
71 HB3 CYS 11 HB1 CYS 11 -2.554 2.675 -2.391
72 HA PRO 12 HA PRO 12 -5.573 6.701 -2.581
73 HB2 PRO 12 HB2 PRO 12 -7.392 5.534 -4.145
74 HB3 PRO 12 HB1 PRO 12 -6.083 6.500 -4.837
75 HG2 PRO 12 HG2 PRO 12 -6.345 3.528 -4.639
76 HG3 PRO 12 HG1 PRO 12 -5.739 4.512 -5.983
77 HD2 PRO 12 HD2 PRO 12 -4.145 3.214 -4.127
78 HD3 PRO 12 HD1 PRO 12 -3.633 4.598 -5.111
79 H ASP 13 HN ASP 13 -8.031 6.048 -2.142
80 HA ASP 13 HA ASP 13 -7.970 4.381 0.184
81 HB2 ASP 13 HB2 ASP 13 -9.371 6.470 -0.100
82 HB3 ASP 13 HB1 ASP 13 -10.416 5.532 -1.162
83 H PHE 14 HN PHE 14 -8.154 3.642 -3.020
84 HA PHE 14 HA PHE 14 -10.169 1.611 -2.972
85 HD1 PHE 14 HD1 PHE 14 -9.665 4.477 -5.149
86 HD2 PHE 14 HD2 PHE 14 -10.966 0.482 -5.825
87 HE1 PHE 14 HE1 PHE 14 -11.668 5.327 -6.295
88 HE2 PHE 14 HE2 PHE 14 -12.972 1.326 -6.972
89 HZ PHE 14 HZ PHE 14 -13.325 3.752 -7.209
90 HB2 PHE 14 HB2 PHE 14 -8.144 2.585 -4.916
91 HB3 PHE 14 HB1 PHE 14 -8.720 0.935 -5.125
92 H SER 15 HN SER 15 -6.888 1.779 -1.996
93 HA SER 15 HA SER 15 -6.951 -0.982 -1.156
94 HG SER 15 HG SER 15 -5.380 -0.328 -4.592
95 HB2 SER 15 HB2 SER 15 -4.510 -1.104 -2.311
96 HB3 SER 15 HB1 SER 15 -5.982 -1.687 -3.091
97 H THR 16 HN THR 16 -5.314 -1.513 0.356
98 HA THR 16 HA THR 16 -4.212 0.832 1.714
99 HB THR 16 HB THR 16 -5.597 -0.917 2.946
100 HG1 THR 16 HG1 THR 16 -2.961 -0.397 3.905
101 HG21 THR 16 3HG2 THR 16 -4.945 -3.054 3.037
102 HG22 THR 16 1HG2 THR 16 -3.308 -2.597 3.506
103 HG23 THR 16 2HG2 THR 16 -3.750 -2.667 1.800
104 H CYS 17 HN CYS 17 -2.043 0.485 2.801
105 HA CYS 17 HA CYS 17 -0.148 -0.340 0.774
106 HB2 CYS 17 HB2 CYS 17 -0.162 1.668 2.662
107 HB3 CYS 17 HB1 CYS 17 0.953 0.495 3.354
108 H CYS 18 HN CYS 18 0.517 -2.366 0.647
109 HA CYS 18 HA CYS 18 0.779 -3.927 3.133
110 HG CYS 18 HG CYS 18 -1.065 -7.169 1.984
111 HB2 CYS 18 HB2 CYS 18 -0.610 -4.514 0.718
112 HB3 CYS 18 HB1 CYS 18 0.747 -5.629 0.841
113 H VAL 19 HN VAL 19 2.517 -5.516 3.179
114 HA VAL 19 HA VAL 19 4.877 -4.530 1.734
115 HB VAL 19 HB VAL 19 5.020 -6.433 4.049
116 HG11 VAL 19 1HG1 VAL 19 7.214 -5.693 4.270
117 HG12 VAL 19 2HG1 VAL 19 6.903 -4.199 3.386
118 HG13 VAL 19 3HG1 VAL 19 6.977 -5.735 2.523
119 HG21 VAL 19 3HG2 VAL 19 5.124 -3.474 4.485
120 HG22 VAL 19 1HG2 VAL 19 4.846 -4.769 5.650
121 HG23 VAL 19 2HG2 VAL 19 3.577 -4.322 4.510
122 H MET 20 HN MET 20 6.096 -5.840 0.458
123 HA MET 20 HA MET 20 4.963 -8.472 -0.149
124 HB2 MET 20 HB2 MET 20 6.522 -6.461 -1.690
125 HB3 MET 20 HB1 MET 20 6.743 -8.153 -2.110
126 HG2 MET 20 HG2 MET 20 4.040 -7.992 -1.998
127 HG3 MET 20 HG1 MET 20 4.459 -6.376 -2.561
128 HE1 MET 20 HE1 MET 20 3.034 -6.795 -4.477
129 HE2 MET 20 HE2 MET 20 3.588 -7.534 -5.979
130 HE3 MET 20 HE3 MET 20 4.390 -6.091 -5.358
131 H VAL 21 HN VAL 21 6.139 -10.340 -0.061
132 HA VAL 21 HA VAL 21 8.308 -10.433 1.770
133 HB VAL 21 HB VAL 21 8.460 -12.861 0.997
134 HG11 VAL 21 1HG1 VAL 21 6.490 -13.499 2.240
135 HG12 VAL 21 2HG1 VAL 21 5.785 -11.902 2.004
136 HG13 VAL 21 3HG1 VAL 21 7.229 -12.089 2.997
137 HG21 VAL 21 3HG2 VAL 21 7.540 -12.711 -1.194
138 HG22 VAL 21 1HG2 VAL 21 6.064 -11.961 -0.590
139 HG23 VAL 21 2HG2 VAL 21 6.410 -13.649 -0.217
140 H ASP 22 HN ASP 22 8.101 -10.156 -1.671
141 HA ASP 22 HA ASP 22 10.525 -11.227 -2.495
142 HB2 ASP 22 HB2 ASP 22 8.676 -10.318 -3.962
143 HB3 ASP 22 HB1 ASP 22 9.301 -8.706 -3.625
144 H GLY 23 HN GLY 23 9.836 -7.885 -1.461
145 HA2 GLY 23 HA2 GLY 23 11.758 -7.174 0.133
146 HA3 GLY 23 HA1 GLY 23 12.731 -7.397 -1.312
147 H SER 24 HN SER 24 9.495 -5.986 -0.940
148 HA SER 24 HA SER 24 10.424 -3.301 -1.270
149 HG SER 24 HG SER 24 11.292 -3.149 -4.037
150 HB2 SER 24 HB2 SER 24 10.048 -4.794 -3.638
151 HB3 SER 24 HB1 SER 24 8.668 -3.704 -3.515
152 H TRP 25 HN TRP 25 8.412 -1.843 -1.817
153 HA TRP 25 HA TRP 25 6.331 -2.668 0.054
154 HD1 TRP 25 HD1 TRP 25 9.047 -0.186 1.082
155 HE1 TRP 25 HE1 TRP 25 8.726 0.072 3.623
156 HE3 TRP 25 HE3 TRP 25 3.962 -0.652 1.308
157 HZ2 TRP 25 HZ2 TRP 25 6.598 0.078 5.477
158 HZ3 TRP 25 HZ3 TRP 25 2.861 -0.507 3.504
159 HH2 TRP 25 HH2 TRP 25 4.153 -0.149 5.544
160 HB2 TRP 25 HB2 TRP 25 7.364 -0.083 -0.961
161 HB3 TRP 25 HB1 TRP 25 5.639 -0.143 -0.606
162 H GLY 26 HN GLY 26 4.088 -2.456 -0.439
163 HA2 GLY 26 HA2 GLY 26 3.357 -2.191 -3.254
164 HA3 GLY 26 HA1 GLY 26 3.037 -3.744 -2.496
165 H CYS 27 HN CYS 27 0.848 -2.811 -3.385
166 HA CYS 27 HA CYS 27 -0.603 -1.911 -1.039
167 HB2 CYS 27 HB2 CYS 27 -0.174 -0.241 -3.449
168 HB3 CYS 27 HB1 CYS 27 -1.815 -0.272 -2.809
169 H CYS 28 HN CYS 28 -2.489 -2.942 -0.866
170 HA CYS 28 HA CYS 28 -3.859 -3.896 -3.262
171 HG CYS 28 HG CYS 28 -4.473 -6.575 -4.030
172 HB2 CYS 28 HB2 CYS 28 -2.294 -5.594 -1.583
173 HB3 CYS 28 HB1 CYS 28 -3.989 -6.015 -1.365
174 HA PRO 29 HA PRO 29 -7.646 -2.738 -1.351
175 HB2 PRO 29 HB2 PRO 29 -9.019 -5.195 -1.597
176 HB3 PRO 29 HB1 PRO 29 -9.062 -3.839 -2.725
177 HG2 PRO 29 HG2 PRO 29 -7.452 -6.337 -2.824
178 HG3 PRO 29 HG1 PRO 29 -8.121 -5.372 -4.152
179 HD2 PRO 29 HD2 PRO 29 -5.510 -5.314 -3.575
180 HD3 PRO 29 HD1 PRO 29 -6.369 -3.844 -4.088
181 H MET 30 HN MET 30 -8.130 -2.541 0.722
182 HA MET 30 HA MET 30 -7.176 -4.516 2.623
183 HB2 MET 30 HB2 MET 30 -8.166 -2.747 4.266
184 HB3 MET 30 HB1 MET 30 -6.680 -2.390 3.397
185 HG2 MET 30 HG2 MET 30 -7.636 -0.775 2.139
186 HG3 MET 30 HG1 MET 30 -9.205 -1.576 2.099
187 HE1 MET 30 HE1 MET 30 -9.348 2.139 3.685
188 HE2 MET 30 HE2 MET 30 -8.861 1.335 2.192
189 HE3 MET 30 HE3 MET 30 -7.657 1.708 3.426
190 HA PRO 31 HA PRO 31 -11.202 -6.365 3.044
191 HB2 PRO 31 HB2 PRO 31 -10.688 -8.002 5.107
192 HB3 PRO 31 HB1 PRO 31 -9.988 -8.282 3.507
193 HG2 PRO 31 HG2 PRO 31 -8.744 -7.024 5.924
194 HG3 PRO 31 HG1 PRO 31 -8.053 -8.211 4.800
195 HD2 PRO 31 HD2 PRO 31 -7.538 -5.528 4.671
196 HD3 PRO 31 HD1 PRO 31 -7.489 -6.605 3.262
197 H GLN 32 HN GLN 32 -9.562 -4.718 5.656
198 HA GLN 32 HA GLN 32 -10.284 -3.585 7.488
199 HB2 GLN 32 HB2 GLN 32 -11.650 -2.542 5.538
200 HB3 GLN 32 HB1 GLN 32 -13.011 -3.403 6.244
201 HG2 GLN 32 HG2 GLN 32 -13.252 -1.885 7.841
202 HG3 GLN 32 HG1 GLN 32 -11.539 -1.940 8.250
203 HE21 GLN 32 1HE2 GLN 32 -13.961 -0.003 7.166
204 HE22 GLN 32 2HE2 GLN 32 -13.025 1.223 6.387
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