Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655112 | 7l53 RC | 30828 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 -1.606 -6.570 -0.222
2 HA2 GLY 1 HA2 GLY 1 -2.789 -4.638 -0.797
3 HA3 GLY 1 HA1 GLY 1 -4.225 -5.314 -0.048
4 H PHE 2 HN PHE 2 -3.640 -2.686 0.382
5 HA PHE 2 HA PHE 2 -3.196 -2.666 3.264
6 HB2 PHE 2 HB2 PHE 2 -0.958 -2.394 2.448
7 HB3 PHE 2 HB1 PHE 2 -1.470 -1.192 1.287
8 HD1 PHE 2 HD1 PHE 2 -1.562 -1.698 4.994
9 HD2 PHE 2 HD2 PHE 2 -0.878 0.943 1.743
10 HE1 PHE 2 HE1 PHE 2 -0.876 0.067 6.573
11 HE2 PHE 2 HE2 PHE 2 -0.207 2.700 3.280
12 HZ PHE 2 HZ PHE 2 -0.197 2.278 5.721
13 H CYS 3 HN CYS 3 -4.327 -1.009 4.268
14 HA CYS 3 HA CYS 3 -5.811 0.695 2.500
15 HB2 CYS 3 HB2 CYS 3 -6.351 -0.252 5.297
16 HB3 CYS 3 HB1 CYS 3 -7.227 1.077 4.535
17 H TRP 4 HN TRP 4 -5.589 2.676 2.537
18 HA TRP 4 HA TRP 4 -4.063 4.108 4.542
19 HB2 TRP 4 HB2 TRP 4 -2.271 3.167 3.300
20 HB3 TRP 4 HB1 TRP 4 -3.029 3.580 1.768
21 HD1 TRP 4 HD1 TRP 4 -1.532 5.377 4.815
22 HE1 TRP 4 HE1 TRP 4 -0.497 7.567 3.986
23 HE3 TRP 4 3HE TRP 4 -2.869 5.038 -0.046
24 HZ2 TRP 4 HZ2 TRP 4 -0.315 8.927 1.647
25 HZ3 TRP 4 HZ3 TRP 4 -2.226 6.783 -1.568
26 HH2 TRP 4 2HH TRP 4 -0.942 8.758 -0.774
27 H HIS 5 HN HIS 5 -4.248 6.392 4.347
28 HA HIS 5 HA HIS 5 -5.671 8.155 4.205
29 HB2 HIS 5 HB2 HIS 5 -4.278 7.633 1.744
30 HB3 HIS 5 HB1 HIS 5 -5.643 8.752 1.502
31 HD1 HIS 5 HD1 HIS 5 -4.070 10.821 1.151
32 HD2 HIS 5 HD2 HIS 5 -3.440 8.804 4.730
33 HE1 HIS 5 HE1 HIS 5 -2.587 12.298 2.528
34 H HIS 6 HN HIS 6 -7.327 6.089 4.536
35 HA HIS 6 HA HIS 6 -9.519 5.554 4.534
36 HB2 HIS 6 HB2 HIS 6 -9.913 8.037 2.831
37 HB3 HIS 6 HB1 HIS 6 -11.211 7.101 3.552
38 HD1 HIS 6 HD1 HIS 6 -11.445 7.308 6.226
39 HD2 HIS 6 HD2 HIS 6 -8.676 9.835 4.441
40 HE1 HIS 6 HE1 HIS 6 -10.947 9.089 7.920
41 H SER 7 HN SER 7 -7.612 5.152 2.091
42 HA SER 7 HA SER 7 -9.582 3.951 0.250
43 HB2 SER 7 HB2 SER 7 -6.830 5.003 -0.416
44 HB3 SER 7 HB1 SER 7 -8.154 4.631 -1.524
45 HG SER 7 HG SER 7 -8.050 6.737 0.371
46 H CYS 8 HN CYS 8 -8.344 2.204 -0.993
47 HA CYS 8 HA CYS 8 -6.366 0.960 0.701
48 HB2 CYS 8 HB2 CYS 8 -8.984 -0.279 -0.052
49 HB3 CYS 8 HB1 CYS 8 -7.622 -1.189 0.666
50 H VAL 9 HN VAL 9 -4.865 0.092 -0.389
51 HA VAL 9 HA VAL 9 -5.272 -0.140 -3.227
52 HB VAL 9 HB VAL 9 -2.774 -0.427 -3.352
53 HG11 VAL 9 HG11 VAL 9 -2.262 1.937 -2.879
54 HG12 VAL 9 HG12 VAL 9 -3.803 2.061 -2.014
55 HG13 VAL 9 3HG1 VAL 9 -3.789 1.762 -3.768
56 HG21 VAL 9 HG21 VAL 9 -1.382 0.316 -1.541
57 HG22 VAL 9 HG22 VAL 9 -2.302 -1.091 -0.999
58 HG23 VAL 9 HG23 VAL 9 -2.763 0.561 -0.503
59 HA PRO 10 HA PRO 10 -5.928 -4.433 -2.817
60 HB2 PRO 10 HB2 PRO 10 -5.598 -5.174 -5.412
61 HB3 PRO 10 HB1 PRO 10 -7.023 -4.307 -4.830
62 HG2 PRO 10 HG2 PRO 10 -4.621 -3.263 -6.265
63 HG3 PRO 10 HG1 PRO 10 -6.327 -2.828 -6.472
64 HD2 PRO 10 HD2 PRO 10 -4.545 -1.315 -5.072
65 HD3 PRO 10 HD1 PRO 10 -6.278 -1.339 -4.708
66 H SER 11 HN SER 11 -4.937 -6.580 -3.304
67 HA SER 11 HA SER 11 -2.267 -6.635 -2.508
68 HB2 SER 11 HB2 SER 11 -3.740 -8.898 -3.848
69 HB3 SER 11 HB1 SER 11 -2.515 -8.924 -2.560
70 HG SER 11 HG SER 11 -4.705 -9.274 -1.863
71 H GLY 12 HN GLY 12 -0.432 -6.784 -3.679
72 HA2 GLY 12 HA2 GLY 12 0.814 -7.429 -5.594
73 HA3 GLY 12 HA1 GLY 12 -0.629 -7.192 -6.572
74 H THR 13 HN THR 13 -0.830 -4.686 -4.645
75 HA THR 13 HA THR 13 0.203 -2.882 -6.607
76 HB THR 13 HB THR 13 -0.989 -2.328 -3.913
77 HG1 THR 13 HG1 THR 13 -2.613 -3.213 -4.898
78 HG21 THR 13 HG21 THR 13 0.102 -0.351 -4.814
79 HG22 THR 13 HG22 THR 13 -1.643 -0.138 -4.869
80 HG23 THR 13 HG23 THR 13 -0.759 -0.531 -6.347
81 H CYS 14 HN CYS 14 1.612 -1.257 -6.173
82 HA CYS 14 HA CYS 14 3.459 -1.302 -3.951
83 HB2 CYS 14 HB2 CYS 14 4.417 -1.538 -6.841
84 HB3 CYS 14 HB1 CYS 14 5.433 -1.240 -5.451
85 H ALA 15 HN ALA 15 3.826 0.781 -3.484
86 HA ALA 15 HA ALA 15 3.631 2.774 -5.581
87 HB1 ALA 15 HB1 ALA 15 1.954 4.105 -4.357
88 HB2 ALA 15 HB2 ALA 15 1.799 2.794 -3.182
89 HB3 ALA 15 HB3 ALA 15 1.306 2.538 -4.853
90 H ASP 16 HN ASP 16 4.233 4.918 -4.721
91 HA ASP 16 HA ASP 16 6.227 4.593 -2.616
92 HB2 ASP 16 HB2 ASP 16 7.028 5.375 -4.841
93 HB3 ASP 16 HB1 ASP 16 5.954 6.761 -4.711
94 H PHE 17 HN PHE 17 5.234 4.939 -0.801
95 HA PHE 17 HA PHE 17 3.212 7.007 -0.514
96 HB2 PHE 17 HB2 PHE 17 4.259 4.907 1.415
97 HB3 PHE 17 HB1 PHE 17 2.926 5.955 1.767
98 HD1 PHE 17 HD1 PHE 17 3.996 3.127 -0.335
99 HD2 PHE 17 HD2 PHE 17 0.706 5.545 0.883
100 HE1 PHE 17 HE1 PHE 17 2.454 1.573 -1.349
101 HE2 PHE 17 HE2 PHE 17 -0.818 3.978 -0.137
102 HZ PHE 17 HZ PHE 17 0.024 1.995 -1.263
103 HA PRO 18 HA PRO 18 5.942 9.888 1.516
104 HB2 PRO 18 HB2 PRO 18 4.183 10.076 3.874
105 HB3 PRO 18 HB1 PRO 18 4.620 11.327 2.712
106 HG2 PRO 18 HG2 PRO 18 2.171 10.261 2.782
107 HG3 PRO 18 HG1 PRO 18 2.922 10.756 1.257
108 HD2 PRO 18 HD2 PRO 18 2.615 8.020 2.422
109 HD3 PRO 18 HD1 PRO 18 2.449 8.552 0.736
110 H TRP 19 HN TRP 19 7.307 10.173 3.379
111 HA TRP 19 HA TRP 19 8.276 7.781 4.544
112 HB2 TRP 19 HB2 TRP 19 9.606 9.883 4.104
113 HB3 TRP 19 HB1 TRP 19 8.728 10.649 5.419
114 HD1 TRP 19 HD1 TRP 19 11.429 8.023 4.741
115 HE1 TRP 19 HE1 TRP 19 12.708 7.603 6.937
116 HE3 TRP 19 3HE TRP 19 8.489 10.680 7.830
117 HZ2 TRP 19 HZ2 TRP 19 12.482 8.337 9.665
118 HZ3 TRP 19 HZ3 TRP 19 9.054 10.810 10.266
119 HH2 TRP 19 2HH TRP 19 11.016 9.646 11.144
120 HA PRO 20 HA PRO 20 9.132 6.961 6.252
121 HB2 PRO 20 HB2 PRO 20 8.900 5.132 8.151
122 HB3 PRO 20 HB1 PRO 20 9.281 6.813 8.531
123 HG2 PRO 20 HG2 PRO 20 6.734 5.332 8.895
124 HG3 PRO 20 HG1 PRO 20 7.401 6.675 9.836
125 HD2 PRO 20 HD2 PRO 20 5.450 6.801 7.761
126 HD3 PRO 20 HD1 PRO 20 6.198 8.162 8.619
127 H LEU 21 HN LEU 21 6.144 6.199 5.148
128 HA LEU 21 HA LEU 21 6.277 3.371 5.025
129 HB2 LEU 21 HB2 LEU 21 4.708 5.417 3.484
130 HB3 LEU 21 HB1 LEU 21 4.576 3.698 3.172
131 HG LEU 21 HG LEU 21 3.937 4.961 5.845
132 HD11 LEU 21 HD11 LEU 21 2.118 4.098 3.602
133 HD12 LEU 21 HD12 LEU 21 2.421 5.773 4.075
134 HD13 LEU 21 HD13 LEU 21 1.599 4.670 5.187
135 HD21 LEU 21 HD21 LEU 21 3.347 2.291 4.626
136 HD22 LEU 21 HD22 LEU 21 2.813 2.831 6.220
137 HD23 LEU 21 HD23 LEU 21 4.537 2.584 5.898
138 H GLY 22 HN GLY 22 6.829 5.883 2.568
139 HA2 GLY 22 HA2 GLY 22 8.279 5.909 0.773
140 HA3 GLY 22 HA1 GLY 22 9.108 4.541 1.512
141 H HIS 23 HN HIS 23 9.329 3.556 -0.564
142 HA HIS 23 HA HIS 23 6.970 2.852 -2.031
143 HB2 HIS 23 HB2 HIS 23 9.252 3.127 -3.119
144 HB3 HIS 23 HB1 HIS 23 9.727 1.633 -2.320
145 HD1 HIS 23 HD1 HIS 23 8.310 2.870 -5.419
146 HD2 HIS 23 HD2 HIS 23 8.071 -0.554 -3.137
147 HE1 HIS 23 HE1 HIS 23 7.347 1.092 -6.939
148 H GLN 24 HN GLN 24 5.656 1.388 -1.506
149 HA GLN 24 HA GLN 24 6.534 -0.917 0.106
150 HB2 GLN 24 HB2 GLN 24 4.114 0.834 0.399
151 HB3 GLN 24 HB1 GLN 24 4.192 -0.775 1.087
152 HG2 GLN 24 HG2 GLN 24 6.194 1.366 1.729
153 HG3 GLN 24 HG1 GLN 24 4.689 1.164 2.624
154 HE21 GLN 24 1HE2 GLN 24 5.702 0.633 4.520
155 HE22 GLN 24 2HE2 GLN 24 6.510 -0.875 4.757
156 H CYS 25 HN CYS 25 5.836 -2.860 -0.608
157 HA CYS 25 HA CYS 25 3.796 -2.936 -2.697
158 HB2 CYS 25 HB2 CYS 25 6.087 -4.813 -2.085
159 HB3 CYS 25 HB1 CYS 25 4.769 -5.253 -3.160
160 H PHE 26 HN PHE 26 2.156 -4.566 -2.484
161 HA PHE 26 HA PHE 26 1.835 -5.442 0.313
162 HB2 PHE 26 HB2 PHE 26 -0.359 -4.227 -1.340
163 HB3 PHE 26 HB1 PHE 26 -0.420 -4.648 0.365
164 HD1 PHE 26 HD1 PHE 26 0.005 -2.061 -1.939
165 HD2 PHE 26 HD2 PHE 26 1.420 -3.474 1.833
166 HE1 PHE 26 HE1 PHE 26 0.807 0.125 -1.426
167 HE2 PHE 26 HE2 PHE 26 2.208 -1.209 2.358
168 HZ PHE 26 HZ PHE 26 1.886 0.601 0.672
169 HA PRO 27 HA PRO 27 0.958 -9.093 -2.364
170 HB2 PRO 27 HB2 PRO 27 1.453 -10.371 0.268
171 HB3 PRO 27 HB1 PRO 27 2.124 -10.781 -1.314
172 HG2 PRO 27 HG2 PRO 27 3.655 -9.582 0.473
173 HG3 PRO 27 HG1 PRO 27 3.704 -9.056 -1.221
174 HD2 PRO 27 HD2 PRO 27 2.260 -7.810 1.093
175 HD3 PRO 27 HD1 PRO 27 3.269 -7.036 -0.151
176 H ASP 28 HN ASP 28 -0.383 -7.892 0.550
177 HA ASP 28 HA ASP 28 -2.815 -9.527 0.215
178 HB2 ASP 28 HB2 ASP 28 -1.580 -8.535 2.797
179 HB3 ASP 28 HB1 ASP 28 -3.184 -9.237 2.676
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 -1.426 -6.360 -0.025
2 HA2 GLY 1 HA2 GLY 1 -2.437 -4.380 -0.697
3 HA3 GLY 1 HA1 GLY 1 -3.926 -4.933 0.056
4 H PHE 2 HN PHE 2 -3.524 -2.403 0.457
5 HA PHE 2 HA PHE 2 -3.009 -2.247 3.298
6 HB2 PHE 2 HB2 PHE 2 -0.782 -1.808 2.390
7 HB3 PHE 2 HB1 PHE 2 -1.438 -0.575 1.329
8 HD1 PHE 2 HD1 PHE 2 -1.384 -1.398 4.972
9 HD2 PHE 2 HD2 PHE 2 -1.114 1.602 1.964
10 HE1 PHE 2 HE1 PHE 2 -0.931 0.282 6.693
11 HE2 PHE 2 HE2 PHE 2 -0.661 3.284 3.663
12 HZ PHE 2 HZ PHE 2 -0.561 2.639 6.050
13 H CYS 3 HN CYS 3 -4.455 -0.897 4.206
14 HA CYS 3 HA CYS 3 -6.045 0.612 2.334
15 HB2 CYS 3 HB2 CYS 3 -6.754 -0.425 5.078
16 HB3 CYS 3 HB1 CYS 3 -7.833 0.503 4.044
17 H TRP 4 HN TRP 4 -5.913 2.625 2.318
18 HA TRP 4 HA TRP 4 -5.157 4.266 4.575
19 HB2 TRP 4 HB2 TRP 4 -2.966 3.713 3.929
20 HB3 TRP 4 HB1 TRP 4 -3.384 3.636 2.228
21 HD1 TRP 4 HD1 TRP 4 -2.541 6.172 4.976
22 HE1 TRP 4 HE1 TRP 4 -1.824 8.364 3.822
23 HE3 TRP 4 3HE TRP 4 -3.546 4.879 0.174
24 HZ2 TRP 4 HZ2 TRP 4 -1.720 9.382 1.224
25 HZ3 TRP 4 HZ3 TRP 4 -3.116 6.457 -1.606
26 HH2 TRP 4 2HH TRP 4 -2.214 8.703 -1.123
27 H HIS 5 HN HIS 5 -5.358 6.668 3.967
28 HA HIS 5 HA HIS 5 -6.585 8.351 3.279
29 HB2 HIS 5 HB2 HIS 5 -5.001 7.656 1.313
30 HB3 HIS 5 HB1 HIS 5 -6.521 7.297 0.491
31 HD1 HIS 5 HD1 HIS 5 -7.338 9.287 -0.842
32 HD2 HIS 5 HD2 HIS 5 -5.243 10.286 2.574
33 HE1 HIS 5 HE1 HIS 5 -7.275 11.804 -0.819
34 H HIS 6 HN HIS 6 -8.068 6.129 4.172
35 HA HIS 6 HA HIS 6 -10.183 5.363 4.394
36 HB2 HIS 6 HB2 HIS 6 -10.944 7.718 2.632
37 HB3 HIS 6 HB1 HIS 6 -12.084 6.727 3.529
38 HD1 HIS 6 HD1 HIS 6 -11.187 9.926 3.812
39 HD2 HIS 6 HD2 HIS 6 -10.556 6.765 6.413
40 HE1 HIS 6 HE1 HIS 6 -10.938 10.949 6.099
41 H SER 7 HN SER 7 -8.466 4.939 1.874
42 HA SER 7 HA SER 7 -10.457 3.498 0.274
43 HB2 SER 7 HB2 SER 7 -7.883 4.814 -0.613
44 HB3 SER 7 HB1 SER 7 -9.128 4.118 -1.652
45 HG SER 7 HG SER 7 -9.640 6.227 0.142
46 H CYS 8 HN CYS 8 -8.511 2.045 -1.202
47 HA CYS 8 HA CYS 8 -6.515 1.116 0.609
48 HB2 CYS 8 HB2 CYS 8 -8.697 -0.013 1.344
49 HB3 CYS 8 HB1 CYS 8 -8.621 -0.831 -0.224
50 H VAL 9 HN VAL 9 -4.991 0.038 -0.360
51 HA VAL 9 HA VAL 9 -5.227 -0.093 -3.250
52 HB VAL 9 HB VAL 9 -2.757 -0.303 -3.379
53 HG11 VAL 9 HG11 VAL 9 -3.673 2.080 -1.798
54 HG12 VAL 9 HG12 VAL 9 -3.667 1.921 -3.568
55 HG13 VAL 9 3HG1 VAL 9 -2.141 1.957 -2.659
56 HG21 VAL 9 HG21 VAL 9 -2.210 -1.279 -1.203
57 HG22 VAL 9 HG22 VAL 9 -2.705 0.242 -0.416
58 HG23 VAL 9 HG23 VAL 9 -1.319 0.220 -1.479
59 HA PRO 10 HA PRO 10 -5.856 -4.358 -2.867
60 HB2 PRO 10 HB2 PRO 10 -5.493 -5.114 -5.457
61 HB3 PRO 10 HB1 PRO 10 -6.930 -4.269 -4.884
62 HG2 PRO 10 HG2 PRO 10 -4.550 -3.173 -6.316
63 HG3 PRO 10 HG1 PRO 10 -6.262 -2.769 -6.515
64 HD2 PRO 10 HD2 PRO 10 -4.492 -1.245 -5.102
65 HD3 PRO 10 HD1 PRO 10 -6.230 -1.283 -4.754
66 H SER 11 HN SER 11 -4.799 -6.423 -2.947
67 HA SER 11 HA SER 11 -2.137 -6.401 -2.251
68 HB2 SER 11 HB2 SER 11 -3.595 -8.804 -3.307
69 HB3 SER 11 HB1 SER 11 -2.472 -8.641 -1.934
70 HG SER 11 HG SER 11 -4.536 -8.788 -1.114
71 H GLY 12 HN GLY 12 -0.335 -6.471 -3.444
72 HA2 GLY 12 HA2 GLY 12 0.915 -7.367 -5.328
73 HA3 GLY 12 HA1 GLY 12 -0.529 -7.153 -6.311
74 H THR 13 HN THR 13 -0.873 -4.563 -4.706
75 HA THR 13 HA THR 13 0.265 -2.844 -6.647
76 HB THR 13 HB THR 13 -1.024 -2.289 -4.005
77 HG1 THR 13 HG1 THR 13 -2.542 -3.162 -5.238
78 HG21 THR 13 HG21 THR 13 -0.501 -0.343 -6.277
79 HG22 THR 13 HG22 THR 13 0.157 -0.277 -4.636
80 HG23 THR 13 HG23 THR 13 -1.556 -0.006 -4.905
81 H CYS 14 HN CYS 14 1.636 -1.210 -6.235
82 HA CYS 14 HA CYS 14 3.500 -1.258 -4.007
83 HB2 CYS 14 HB2 CYS 14 4.362 -1.293 -6.929
84 HB3 CYS 14 HB1 CYS 14 5.425 -1.038 -5.560
85 H ALA 15 HN ALA 15 3.758 0.831 -3.402
86 HA ALA 15 HA ALA 15 3.324 2.902 -5.381
87 HB1 ALA 15 HB1 ALA 15 1.613 2.711 -2.911
88 HB2 ALA 15 HB2 ALA 15 1.078 2.408 -4.564
89 HB3 ALA 15 HB3 ALA 15 1.605 4.023 -4.089
90 H ASP 16 HN ASP 16 3.823 5.001 -4.584
91 HA ASP 16 HA ASP 16 5.986 4.888 -2.636
92 HB2 ASP 16 HB2 ASP 16 6.694 5.811 -4.701
93 HB3 ASP 16 HB1 ASP 16 5.296 6.867 -4.811
94 H PHE 17 HN PHE 17 5.423 5.296 -0.707
95 HA PHE 17 HA PHE 17 3.469 7.402 -0.201
96 HB2 PHE 17 HB2 PHE 17 4.152 4.953 1.453
97 HB3 PHE 17 HB1 PHE 17 3.098 6.202 1.999
98 HD1 PHE 17 HD1 PHE 17 1.178 6.879 0.299
99 HD2 PHE 17 HD2 PHE 17 3.008 3.014 0.417
100 HE1 PHE 17 HE1 PHE 17 -0.767 5.886 -0.777
101 HE2 PHE 17 HE2 PHE 17 1.092 2.084 -0.637
102 HZ PHE 17 HZ PHE 17 -0.823 3.488 -1.255
103 HA PRO 18 HA PRO 18 6.551 9.730 1.980
104 HB2 PRO 18 HB2 PRO 18 4.833 9.817 4.388
105 HB3 PRO 18 HB1 PRO 18 5.449 11.150 3.407
106 HG2 PRO 18 HG2 PRO 18 2.880 10.454 3.305
107 HG3 PRO 18 HG1 PRO 18 3.748 10.957 1.845
108 HD2 PRO 18 HD2 PRO 18 3.033 8.200 2.769
109 HD3 PRO 18 HD1 PRO 18 2.953 8.898 1.139
110 H TRP 19 HN TRP 19 8.012 9.715 3.803
111 HA TRP 19 HA TRP 19 8.914 7.220 4.700
112 HB2 TRP 19 HB2 TRP 19 10.248 9.356 4.597
113 HB3 TRP 19 HB1 TRP 19 9.328 9.950 5.968
114 HD1 TRP 19 HD1 TRP 19 12.160 7.570 5.058
115 HE1 TRP 19 HE1 TRP 19 13.342 6.825 7.208
116 HE3 TRP 19 3HE TRP 19 8.929 9.524 8.411
117 HZ2 TRP 19 HZ2 TRP 19 12.954 7.059 10.011
118 HZ3 TRP 19 HZ3 TRP 19 9.380 9.244 10.847
119 HH2 TRP 19 2HH TRP 19 11.356 8.027 11.614
120 HA PRO 20 HA PRO 20 9.690 6.072 6.195
121 HB2 PRO 20 HB2 PRO 20 9.378 4.011 7.886
122 HB3 PRO 20 HB1 PRO 20 9.950 5.594 8.420
123 HG2 PRO 20 HG2 PRO 20 7.377 4.279 8.938
124 HG3 PRO 20 HG1 PRO 20 8.124 5.644 9.777
125 HD2 PRO 20 HD2 PRO 20 6.093 5.659 7.690
126 HD3 PRO 20 HD1 PRO 20 6.667 7.011 8.689
127 H LEU 21 HN LEU 21 6.894 5.723 4.820
128 HA LEU 21 HA LEU 21 6.756 2.882 4.495
129 HB2 LEU 21 HB2 LEU 21 5.302 5.182 3.212
130 HB3 LEU 21 HB1 LEU 21 4.944 3.490 2.903
131 HG LEU 21 HG LEU 21 4.732 4.738 5.651
132 HD11 LEU 21 HD11 LEU 21 2.319 4.773 5.264
133 HD12 LEU 21 HD12 LEU 21 2.581 4.269 3.591
134 HD13 LEU 21 HD13 LEU 21 3.161 5.845 4.143
135 HD21 LEU 21 HD21 LEU 21 3.653 2.233 4.433
136 HD22 LEU 21 HD22 LEU 21 3.364 2.792 6.082
137 HD23 LEU 21 HD23 LEU 21 4.996 2.320 5.580
138 H GLY 22 HN GLY 22 7.357 5.682 2.369
139 HA2 GLY 22 HA2 GLY 22 8.657 5.846 0.465
140 HA3 GLY 22 HA1 GLY 22 9.480 4.375 0.980
141 H HIS 23 HN HIS 23 9.471 3.465 -1.095
142 HA HIS 23 HA HIS 23 6.932 2.995 -2.391
143 HB2 HIS 23 HB2 HIS 23 9.099 3.359 -3.680
144 HB3 HIS 23 HB1 HIS 23 9.628 1.790 -3.093
145 HD1 HIS 23 HD1 HIS 23 7.800 3.392 -5.830
146 HD2 HIS 23 HD2 HIS 23 7.998 -0.321 -4.039
147 HE1 HIS 23 HE1 HIS 23 6.735 1.793 -7.465
148 H GLN 24 HN GLN 24 5.663 1.606 -1.476
149 HA GLN 24 HA GLN 24 6.789 -0.824 -0.233
150 HB2 GLN 24 HB2 GLN 24 4.224 0.639 0.309
151 HB3 GLN 24 HB1 GLN 24 4.628 -0.917 0.995
152 HG2 GLN 24 HG2 GLN 24 6.220 1.587 1.418
153 HG3 GLN 24 HG1 GLN 24 4.937 1.026 2.485
154 HE21 GLN 24 1HE2 GLN 24 6.274 0.774 4.213
155 HE22 GLN 24 2HE2 GLN 24 7.456 -0.464 4.353
156 H CYS 25 HN CYS 25 6.126 -2.752 -0.949
157 HA CYS 25 HA CYS 25 3.917 -2.870 -2.848
158 HB2 CYS 25 HB2 CYS 25 6.249 -4.745 -2.378
159 HB3 CYS 25 HB1 CYS 25 4.884 -5.130 -3.423
160 H PHE 26 HN PHE 26 2.235 -4.248 -2.417
161 HA PHE 26 HA PHE 26 2.131 -5.066 0.421
162 HB2 PHE 26 HB2 PHE 26 -0.118 -3.962 -1.232
163 HB3 PHE 26 HB1 PHE 26 -0.156 -4.327 0.485
164 HD1 PHE 26 HD1 PHE 26 1.514 -3.047 1.961
165 HD2 PHE 26 HD2 PHE 26 0.398 -1.840 -1.970
166 HE1 PHE 26 HE1 PHE 26 2.250 -0.756 2.444
167 HE2 PHE 26 HE2 PHE 26 1.126 0.396 -1.511
168 HZ PHE 26 HZ PHE 26 2.058 0.975 0.707
169 HA PRO 27 HA PRO 27 1.166 -9.016 -1.732
170 HB2 PRO 27 HB2 PRO 27 1.495 -10.020 1.031
171 HB3 PRO 27 HB1 PRO 27 2.275 -10.564 -0.458
172 HG2 PRO 27 HG2 PRO 27 3.642 -9.187 1.369
173 HG3 PRO 27 HG1 PRO 27 3.903 -8.914 -0.362
174 HD2 PRO 27 HD2 PRO 27 2.335 -7.285 1.596
175 HD3 PRO 27 HD1 PRO 27 3.439 -6.749 0.310
176 H ASP 28 HN ASP 28 -0.237 -7.580 1.085
177 HA ASP 28 HA ASP 28 -2.720 -9.136 0.665
178 HB2 ASP 28 HB2 ASP 28 -1.702 -8.006 3.293
179 HB3 ASP 28 HB1 ASP 28 -3.236 -8.824 3.064
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -1.511 -6.401 -0.291
2 HA2 GLY 1 HA2 GLY 1 -2.474 -4.354 -0.836
3 HA3 GLY 1 HA1 GLY 1 -3.959 -4.892 -0.069
4 H PHE 2 HN PHE 2 -3.555 -2.408 0.436
5 HA PHE 2 HA PHE 2 -2.965 -2.317 3.257
6 HB2 PHE 2 HB2 PHE 2 -0.731 -1.968 2.356
7 HB3 PHE 2 HB1 PHE 2 -1.327 -0.723 1.278
8 HD1 PHE 2 HD1 PHE 2 -1.217 -1.501 4.928
9 HD2 PHE 2 HD2 PHE 2 -0.967 1.460 1.879
10 HE1 PHE 2 HE1 PHE 2 -0.654 0.190 6.612
11 HE2 PHE 2 HE2 PHE 2 -0.413 3.138 3.523
12 HZ PHE 2 HZ PHE 2 -0.244 2.528 5.921
13 H CYS 3 HN CYS 3 -4.303 -0.822 4.217
14 HA CYS 3 HA CYS 3 -5.850 0.748 2.362
15 HB2 CYS 3 HB2 CYS 3 -6.614 -0.255 5.111
16 HB3 CYS 3 HB1 CYS 3 -7.638 0.692 4.042
17 H TRP 4 HN TRP 4 -5.723 2.762 2.442
18 HA TRP 4 HA TRP 4 -4.778 4.291 4.686
19 HB2 TRP 4 HB2 TRP 4 -2.648 3.588 3.978
20 HB3 TRP 4 HB1 TRP 4 -3.091 3.643 2.282
21 HD1 TRP 4 HD1 TRP 4 -2.114 5.961 5.166
22 HE1 TRP 4 HE1 TRP 4 -1.250 8.173 4.126
23 HE3 TRP 4 3HE TRP 4 -3.121 4.980 0.305
24 HZ2 TRP 4 HZ2 TRP 4 -1.054 9.297 1.616
25 HZ3 TRP 4 HZ3 TRP 4 -2.571 6.616 -1.382
26 HH2 TRP 4 2HH TRP 4 -1.547 8.780 -0.764
27 H HIS 5 HN HIS 5 -4.895 6.693 4.191
28 HA HIS 5 HA HIS 5 -5.988 8.475 3.528
29 HB2 HIS 5 HB2 HIS 5 -4.534 7.590 1.510
30 HB3 HIS 5 HB1 HIS 5 -6.117 7.508 0.721
31 HD1 HIS 5 HD1 HIS 5 -6.949 9.734 -0.232
32 HD2 HIS 5 HD2 HIS 5 -3.957 10.094 2.593
33 HE1 HIS 5 HE1 HIS 5 -6.292 12.151 -0.282
34 H HIS 6 HN HIS 6 -7.535 6.098 4.260
35 HA HIS 6 HA HIS 6 -9.657 5.434 4.541
36 HB2 HIS 6 HB2 HIS 6 -10.406 7.942 3.002
37 HB3 HIS 6 HB1 HIS 6 -11.576 6.873 3.762
38 HD1 HIS 6 HD1 HIS 6 -12.067 7.319 6.218
39 HD2 HIS 6 HD2 HIS 6 -8.710 9.334 4.836
40 HE1 HIS 6 HE1 HIS 6 -11.403 8.916 8.054
41 H SER 7 HN SER 7 -8.062 5.282 1.876
42 HA SER 7 HA SER 7 -10.104 3.832 0.357
43 HB2 SER 7 HB2 SER 7 -7.506 5.089 -0.590
44 HB3 SER 7 HB1 SER 7 -8.740 4.339 -1.605
45 HG SER 7 HG SER 7 -9.787 6.266 -0.013
46 H CYS 8 HN CYS 8 -8.293 2.252 -1.140
47 HA CYS 8 HA CYS 8 -6.296 1.235 0.630
48 HB2 CYS 8 HB2 CYS 8 -8.527 0.223 1.407
49 HB3 CYS 8 HB1 CYS 8 -8.531 -0.600 -0.158
50 H VAL 9 HN VAL 9 -4.871 0.063 -0.365
51 HA VAL 9 HA VAL 9 -5.157 -0.067 -3.259
52 HB VAL 9 HB VAL 9 -2.678 -0.353 -3.400
53 HG11 VAL 9 HG11 VAL 9 -3.577 1.876 -3.687
54 HG12 VAL 9 HG12 VAL 9 -2.027 1.900 -2.810
55 HG13 VAL 9 3HG1 VAL 9 -3.541 2.105 -1.922
56 HG21 VAL 9 HG21 VAL 9 -2.624 0.343 -0.469
57 HG22 VAL 9 HG22 VAL 9 -1.246 0.268 -1.548
58 HG23 VAL 9 HG23 VAL 9 -2.138 -1.214 -1.181
59 HA PRO 10 HA PRO 10 -5.823 -4.337 -2.852
60 HB2 PRO 10 HB2 PRO 10 -5.375 -5.113 -5.416
61 HB3 PRO 10 HB1 PRO 10 -6.832 -4.266 -4.880
62 HG2 PRO 10 HG2 PRO 10 -4.423 -3.191 -6.271
63 HG3 PRO 10 HG1 PRO 10 -6.130 -2.788 -6.516
64 HD2 PRO 10 HD2 PRO 10 -4.403 -1.238 -5.096
65 HD3 PRO 10 HD1 PRO 10 -6.146 -1.302 -4.771
66 H SER 11 HN SER 11 -4.850 -6.467 -3.219
67 HA SER 11 HA SER 11 -2.178 -6.555 -2.444
68 HB2 SER 11 HB2 SER 11 -2.587 -9.062 -2.971
69 HB3 SER 11 HB1 SER 11 -3.497 -8.298 -1.673
70 HG SER 11 HG SER 11 -5.260 -8.743 -2.734
71 H GLY 12 HN GLY 12 -0.344 -6.752 -3.574
72 HA2 GLY 12 HA2 GLY 12 0.904 -7.500 -5.469
73 HA3 GLY 12 HA1 GLY 12 -0.524 -7.248 -6.468
74 H THR 13 HN THR 13 -0.744 -4.709 -4.642
75 HA THR 13 HA THR 13 0.347 -2.939 -6.583
76 HB THR 13 HB THR 13 -0.825 -2.378 -3.888
77 HG1 THR 13 HG1 THR 13 -2.511 -3.131 -4.817
78 HG21 THR 13 HG21 THR 13 0.271 -0.398 -4.703
79 HG22 THR 13 HG22 THR 13 -1.460 -0.150 -4.883
80 HG23 THR 13 HG23 THR 13 -0.477 -0.561 -6.292
81 H CYS 14 HN CYS 14 1.764 -1.401 -6.203
82 HA CYS 14 HA CYS 14 3.577 -1.375 -3.942
83 HB2 CYS 14 HB2 CYS 14 4.448 -1.523 -6.854
84 HB3 CYS 14 HB1 CYS 14 5.515 -1.152 -5.510
85 H ALA 15 HN ALA 15 3.793 0.735 -3.413
86 HA ALA 15 HA ALA 15 3.399 2.747 -5.462
87 HB1 ALA 15 HB1 ALA 15 1.533 2.561 -3.100
88 HB2 ALA 15 HB2 ALA 15 1.109 2.243 -4.783
89 HB3 ALA 15 HB3 ALA 15 1.581 3.867 -4.280
90 H ASP 16 HN ASP 16 3.694 4.942 -4.575
91 HA ASP 16 HA ASP 16 5.863 4.831 -2.624
92 HB2 ASP 16 HB2 ASP 16 6.370 5.669 -4.881
93 HB3 ASP 16 HB1 ASP 16 5.186 6.956 -4.659
94 H PHE 17 HN PHE 17 5.072 5.168 -0.722
95 HA PHE 17 HA PHE 17 3.034 7.219 -0.248
96 HB2 PHE 17 HB2 PHE 17 4.090 4.955 1.466
97 HB3 PHE 17 HB1 PHE 17 2.814 6.018 1.980
98 HD1 PHE 17 HD1 PHE 17 0.534 5.771 1.043
99 HD2 PHE 17 HD2 PHE 17 3.708 3.202 -0.190
100 HE1 PHE 17 HE1 PHE 17 -1.068 4.246 0.034
101 HE2 PHE 17 HE2 PHE 17 2.112 1.718 -1.188
102 HZ PHE 17 HZ PHE 17 -0.298 2.215 -1.087
103 HA PRO 18 HA PRO 18 6.110 9.746 1.841
104 HB2 PRO 18 HB2 PRO 18 4.499 9.897 4.306
105 HB3 PRO 18 HB1 PRO 18 4.978 11.189 3.204
106 HG2 PRO 18 HG2 PRO 18 2.442 10.320 3.339
107 HG3 PRO 18 HG1 PRO 18 3.165 10.864 1.815
108 HD2 PRO 18 HD2 PRO 18 2.689 8.074 2.800
109 HD3 PRO 18 HD1 PRO 18 2.482 8.745 1.168
110 H TRP 19 HN TRP 19 7.618 9.783 3.639
111 HA TRP 19 HA TRP 19 8.528 7.271 4.534
112 HB2 TRP 19 HB2 TRP 19 9.865 9.422 4.303
113 HB3 TRP 19 HB1 TRP 19 9.075 9.990 5.768
114 HD1 TRP 19 HD1 TRP 19 11.764 7.604 4.537
115 HE1 TRP 19 HE1 TRP 19 13.146 6.793 6.564
116 HE3 TRP 19 3HE TRP 19 8.913 9.529 8.234
117 HZ2 TRP 19 HZ2 TRP 19 13.027 6.962 9.368
118 HZ3 TRP 19 HZ3 TRP 19 9.593 9.181 10.594
119 HH2 TRP 19 2HH TRP 19 11.613 7.917 11.138
120 HA PRO 20 HA PRO 20 9.423 6.201 6.140
121 HB2 PRO 20 HB2 PRO 20 9.203 4.224 7.878
122 HB3 PRO 20 HB1 PRO 20 9.624 5.855 8.415
123 HG2 PRO 20 HG2 PRO 20 7.050 4.389 8.671
124 HG3 PRO 20 HG1 PRO 20 7.774 5.593 9.748
125 HD2 PRO 20 HD2 PRO 20 5.779 6.028 7.766
126 HD3 PRO 20 HD1 PRO 20 6.615 7.255 8.735
127 H LEU 21 HN LEU 21 6.531 5.795 4.952
128 HA LEU 21 HA LEU 21 6.498 2.952 4.567
129 HB2 LEU 21 HB2 LEU 21 4.900 5.210 3.382
130 HB3 LEU 21 HB1 LEU 21 4.651 3.524 2.964
131 HG LEU 21 HG LEU 21 4.342 4.590 5.774
132 HD11 LEU 21 HD11 LEU 21 1.935 4.525 5.347
133 HD12 LEU 21 HD12 LEU 21 2.245 4.099 3.662
134 HD13 LEU 21 HD13 LEU 21 2.728 5.683 4.276
135 HD21 LEU 21 HD21 LEU 21 3.430 2.086 4.403
136 HD22 LEU 21 HD22 LEU 21 3.095 2.522 6.081
137 HD23 LEU 21 HD23 LEU 21 4.757 2.198 5.560
138 H GLY 22 HN GLY 22 6.897 5.796 2.454
139 HA2 GLY 22 HA2 GLY 22 8.087 6.042 0.508
140 HA3 GLY 22 HA1 GLY 22 9.076 4.687 1.046
141 H HIS 23 HN HIS 23 9.175 3.687 -0.947
142 HA HIS 23 HA HIS 23 6.686 2.985 -2.238
143 HB2 HIS 23 HB2 HIS 23 8.783 3.579 -3.555
144 HB3 HIS 23 HB1 HIS 23 9.470 2.064 -2.991
145 HD1 HIS 23 HD1 HIS 23 7.203 3.496 -5.577
146 HD2 HIS 23 HD2 HIS 23 8.262 -0.203 -4.040
147 HE1 HIS 23 HE1 HIS 23 6.334 1.809 -7.213
148 H GLN 24 HN GLN 24 5.574 1.547 -1.243
149 HA GLN 24 HA GLN 24 6.893 -0.830 -0.087
150 HB2 GLN 24 HB2 GLN 24 4.179 0.348 0.477
151 HB3 GLN 24 HB1 GLN 24 4.801 -1.121 1.189
152 HG2 GLN 24 HG2 GLN 24 6.013 1.603 1.569
153 HG3 GLN 24 HG1 GLN 24 4.841 0.874 2.657
154 HE21 GLN 24 1HE2 GLN 24 6.167 0.839 4.379
155 HE22 GLN 24 2HE2 GLN 24 7.574 -0.156 4.517
156 H CYS 25 HN CYS 25 6.090 -2.856 -0.611
157 HA CYS 25 HA CYS 25 4.042 -2.989 -2.692
158 HB2 CYS 25 HB2 CYS 25 6.441 -4.770 -2.194
159 HB3 CYS 25 HB1 CYS 25 5.117 -5.223 -3.259
160 H PHE 26 HN PHE 26 2.325 -4.376 -2.327
161 HA PHE 26 HA PHE 26 2.204 -5.435 0.446
162 HB2 PHE 26 HB2 PHE 26 -0.101 -4.262 -1.059
163 HB3 PHE 26 HB1 PHE 26 -0.020 -4.677 0.645
164 HD1 PHE 26 HD1 PHE 26 1.809 -3.403 2.007
165 HD2 PHE 26 HD2 PHE 26 0.194 -2.080 -1.727
166 HE1 PHE 26 HE1 PHE 26 2.496 -1.097 2.492
167 HE2 PHE 26 HE2 PHE 26 0.881 0.146 -1.244
168 HZ PHE 26 HZ PHE 26 2.014 0.687 0.818
169 HA PRO 27 HA PRO 27 1.070 -9.158 -1.976
170 HB2 PRO 27 HB2 PRO 27 1.234 -10.437 0.677
171 HB3 PRO 27 HB1 PRO 27 2.128 -10.820 -0.796
172 HG2 PRO 27 HG2 PRO 27 3.329 -9.665 1.305
173 HG3 PRO 27 HG1 PRO 27 3.775 -9.259 -0.361
174 HD2 PRO 27 HD2 PRO 27 2.047 -7.738 1.558
175 HD3 PRO 27 HD1 PRO 27 3.299 -7.146 0.442
176 H ASP 28 HN ASP 28 -0.345 -7.771 0.844
177 HA ASP 28 HA ASP 28 -2.899 -9.155 0.355
178 HB2 ASP 28 HB2 ASP 28 -3.332 -9.068 2.731
179 HB3 ASP 28 HB1 ASP 28 -1.793 -9.880 2.460
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 -1.564 -6.563 -0.202
2 HA2 GLY 1 HA2 GLY 1 -2.778 -4.627 -0.719
3 HA3 GLY 1 HA1 GLY 1 -4.171 -5.323 0.099
4 H PHE 2 HN PHE 2 -3.614 -2.656 0.473
5 HA PHE 2 HA PHE 2 -3.088 -2.593 3.338
6 HB2 PHE 2 HB2 PHE 2 -0.867 -2.406 2.445
7 HB3 PHE 2 HB1 PHE 2 -1.376 -1.194 1.295
8 HD1 PHE 2 HD1 PHE 2 -1.155 -1.756 4.984
9 HD2 PHE 2 HD2 PHE 2 -0.915 0.982 1.742
10 HE1 PHE 2 HE1 PHE 2 -0.351 -0.000 6.517
11 HE2 PHE 2 HE2 PHE 2 -0.130 2.723 3.240
12 HZ PHE 2 HZ PHE 2 0.160 2.243 5.652
13 H CYS 3 HN CYS 3 -4.159 -0.854 4.347
14 HA CYS 3 HA CYS 3 -5.677 0.829 2.579
15 HB2 CYS 3 HB2 CYS 3 -6.165 -0.010 5.433
16 HB3 CYS 3 HB1 CYS 3 -7.067 1.270 4.635
17 H TRP 4 HN TRP 4 -5.448 2.809 2.548
18 HA TRP 4 HA TRP 4 -3.828 4.284 4.452
19 HB2 TRP 4 HB2 TRP 4 -2.060 3.333 3.243
20 HB3 TRP 4 HB1 TRP 4 -2.874 3.549 1.702
21 HD1 TRP 4 HD1 TRP 4 -1.158 5.647 4.426
22 HE1 TRP 4 HE1 TRP 4 -0.258 7.768 3.319
23 HE3 TRP 4 3HE TRP 4 -3.016 4.889 -0.224
24 HZ2 TRP 4 HZ2 TRP 4 -0.363 8.936 0.847
25 HZ3 TRP 4 HZ3 TRP 4 -2.581 6.520 -1.953
26 HH2 TRP 4 2HH TRP 4 -1.265 8.552 -1.472
27 H HIS 5 HN HIS 5 -3.943 6.595 4.132
28 HA HIS 5 HA HIS 5 -5.425 8.317 4.048
29 HB2 HIS 5 HB2 HIS 5 -4.080 7.871 1.493
30 HB3 HIS 5 HB1 HIS 5 -5.297 9.170 1.491
31 HD1 HIS 5 HD1 HIS 5 -3.299 10.916 1.141
32 HD2 HIS 5 HD2 HIS 5 -3.064 8.661 4.629
33 HE1 HIS 5 HE1 HIS 5 -1.520 11.983 2.540
34 H HIS 6 HN HIS 6 -7.189 6.599 4.446
35 HA HIS 6 HA HIS 6 -9.362 6.067 4.317
36 HB2 HIS 6 HB2 HIS 6 -9.506 8.502 2.538
37 HB3 HIS 6 HB1 HIS 6 -10.921 7.582 3.034
38 HD1 HIS 6 HD1 HIS 6 -11.660 7.803 5.532
39 HD2 HIS 6 HD2 HIS 6 -8.372 10.115 4.481
40 HE1 HIS 6 HE1 HIS 6 -11.316 9.412 7.423
41 H SER 7 HN SER 7 -7.419 5.290 2.003
42 HA SER 7 HA SER 7 -9.482 3.946 0.405
43 HB2 SER 7 HB2 SER 7 -7.974 4.253 -1.544
44 HB3 SER 7 HB1 SER 7 -8.600 5.783 -0.923
45 HG SER 7 HG SER 7 -6.406 5.502 0.374
46 H CYS 8 HN CYS 8 -8.330 2.162 -0.858
47 HA CYS 8 HA CYS 8 -6.271 0.990 0.793
48 HB2 CYS 8 HB2 CYS 8 -8.905 -0.291 0.141
49 HB3 CYS 8 HB1 CYS 8 -7.515 -1.133 0.886
50 H VAL 9 HN VAL 9 -4.829 0.005 -0.328
51 HA VAL 9 HA VAL 9 -5.310 -0.234 -3.169
52 HB VAL 9 HB VAL 9 -2.846 -0.539 -3.375
53 HG11 VAL 9 HG11 VAL 9 -3.824 1.675 -3.738
54 HG12 VAL 9 HG12 VAL 9 -2.261 1.814 -2.893
55 HG13 VAL 9 3HG1 VAL 9 -3.769 1.966 -1.986
56 HG21 VAL 9 HG21 VAL 9 -2.752 0.317 -0.485
57 HG22 VAL 9 HG22 VAL 9 -1.388 0.213 -1.582
58 HG23 VAL 9 HG23 VAL 9 -2.248 -1.263 -1.127
59 HA PRO 10 HA PRO 10 -5.897 -4.519 -2.719
60 HB2 PRO 10 HB2 PRO 10 -5.535 -5.300 -5.307
61 HB3 PRO 10 HB1 PRO 10 -6.989 -4.477 -4.732
62 HG2 PRO 10 HG2 PRO 10 -4.627 -3.363 -6.179
63 HG3 PRO 10 HG1 PRO 10 -6.346 -2.991 -6.393
64 HD2 PRO 10 HD2 PRO 10 -4.640 -1.388 -5.016
65 HD3 PRO 10 HD1 PRO 10 -6.365 -1.507 -4.629
66 H SER 11 HN SER 11 -4.866 -6.646 -3.185
67 HA SER 11 HA SER 11 -2.134 -6.590 -2.437
68 HB2 SER 11 HB2 SER 11 -3.570 -8.988 -3.583
69 HB3 SER 11 HB1 SER 11 -2.311 -8.894 -2.332
70 HG SER 11 HG SER 11 -4.312 -7.455 -1.452
71 H GLY 12 HN GLY 12 -0.337 -6.720 -3.751
72 HA2 GLY 12 HA2 GLY 12 0.736 -7.332 -5.808
73 HA3 GLY 12 HA1 GLY 12 -0.813 -7.156 -6.620
74 H THR 13 HN THR 13 -0.758 -4.654 -4.578
75 HA THR 13 HA THR 13 0.077 -2.814 -6.627
76 HB THR 13 HB THR 13 -0.880 -2.289 -3.832
77 HG1 THR 13 HG1 THR 13 -2.614 -3.120 -4.687
78 HG21 THR 13 HG21 THR 13 -0.813 -0.454 -6.243
79 HG22 THR 13 HG22 THR 13 0.180 -0.326 -4.788
80 HG23 THR 13 HG23 THR 13 -1.554 -0.059 -4.689
81 H CYS 14 HN CYS 14 1.570 -1.271 -6.289
82 HA CYS 14 HA CYS 14 3.491 -1.319 -4.131
83 HB2 CYS 14 HB2 CYS 14 4.323 -1.569 -7.056
84 HB3 CYS 14 HB1 CYS 14 5.409 -1.251 -5.720
85 H ALA 15 HN ALA 15 3.874 0.770 -3.677
86 HA ALA 15 HA ALA 15 3.587 2.780 -5.745
87 HB1 ALA 15 HB1 ALA 15 1.712 2.692 -3.396
88 HB2 ALA 15 HB2 ALA 15 1.263 2.428 -5.082
89 HB3 ALA 15 HB3 ALA 15 1.821 4.020 -4.550
90 H ASP 16 HN ASP 16 3.986 4.981 -4.829
91 HA ASP 16 HA ASP 16 6.051 4.758 -2.769
92 HB2 ASP 16 HB2 ASP 16 6.690 5.710 -4.996
93 HB3 ASP 16 HB1 ASP 16 5.544 7.015 -4.721
94 H PHE 17 HN PHE 17 5.190 5.046 -0.868
95 HA PHE 17 HA PHE 17 3.024 6.965 -0.479
96 HB2 PHE 17 HB2 PHE 17 4.080 4.749 1.285
97 HB3 PHE 17 HB1 PHE 17 2.713 5.730 1.699
98 HD1 PHE 17 HD1 PHE 17 3.899 2.997 -0.362
99 HD2 PHE 17 HD2 PHE 17 0.578 5.504 0.491
100 HE1 PHE 17 HE1 PHE 17 2.443 1.493 -1.560
101 HE2 PHE 17 HE2 PHE 17 -0.880 3.986 -0.712
102 HZ PHE 17 HZ PHE 17 0.028 1.982 -1.751
103 HA PRO 18 HA PRO 18 5.522 9.797 1.904
104 HB2 PRO 18 HB2 PRO 18 3.557 9.625 4.115
105 HB3 PRO 18 HB1 PRO 18 4.067 11.037 3.184
106 HG2 PRO 18 HG2 PRO 18 1.662 9.972 2.805
107 HG3 PRO 18 HG1 PRO 18 2.618 10.560 1.430
108 HD2 PRO 18 HD2 PRO 18 2.237 7.738 2.388
109 HD3 PRO 18 HD1 PRO 18 2.196 8.381 0.734
110 H TRP 19 HN TRP 19 6.741 10.036 3.862
111 HA TRP 19 HA TRP 19 7.925 7.731 4.928
112 HB2 TRP 19 HB2 TRP 19 8.918 10.027 4.894
113 HB3 TRP 19 HB1 TRP 19 7.766 10.511 6.126
114 HD1 TRP 19 HD1 TRP 19 10.991 8.529 5.645
115 HE1 TRP 19 HE1 TRP 19 12.037 8.096 7.958
116 HE3 TRP 19 3HE TRP 19 7.183 10.150 8.506
117 HZ2 TRP 19 HZ2 TRP 19 11.318 8.411 10.673
118 HZ3 TRP 19 HZ3 TRP 19 7.397 10.073 10.997
119 HH2 TRP 19 2HH TRP 19 9.433 9.211 12.040
120 HA PRO 20 HA PRO 20 8.709 6.698 6.449
121 HB2 PRO 20 HB2 PRO 20 8.705 4.766 8.261
122 HB3 PRO 20 HB1 PRO 20 8.831 6.459 8.750
123 HG2 PRO 20 HG2 PRO 20 6.540 4.594 8.997
124 HG3 PRO 20 HG1 PRO 20 6.949 6.007 9.983
125 HD2 PRO 20 HD2 PRO 20 5.092 5.834 7.786
126 HD3 PRO 20 HD1 PRO 20 5.473 7.251 8.784
127 H LEU 21 HN LEU 21 6.170 5.891 4.927
128 HA LEU 21 HA LEU 21 6.391 3.019 4.781
129 HB2 LEU 21 HB2 LEU 21 4.754 5.049 3.295
130 HB3 LEU 21 HB1 LEU 21 4.705 3.334 2.940
131 HG LEU 21 HG LEU 21 4.002 4.454 5.655
132 HD11 LEU 21 HD11 LEU 21 2.495 5.384 3.949
133 HD12 LEU 21 HD12 LEU 21 1.671 4.185 4.957
134 HD13 LEU 21 HD13 LEU 21 2.222 3.751 3.334
135 HD21 LEU 21 HD21 LEU 21 4.599 2.081 5.552
136 HD22 LEU 21 HD22 LEU 21 3.411 1.878 4.255
137 HD23 LEU 21 HD23 LEU 21 2.872 2.308 5.879
138 H GLY 22 HN GLY 22 6.799 5.742 2.532
139 HA2 GLY 22 HA2 GLY 22 8.256 5.969 0.754
140 HA3 GLY 22 HA1 GLY 22 9.120 4.550 1.344
141 H HIS 23 HN HIS 23 9.259 3.640 -0.775
142 HA HIS 23 HA HIS 23 6.746 3.035 -2.072
143 HB2 HIS 23 HB2 HIS 23 8.826 3.548 -3.442
144 HB3 HIS 23 HB1 HIS 23 9.503 2.028 -2.867
145 HD1 HIS 23 HD1 HIS 23 7.567 3.408 -5.648
146 HD2 HIS 23 HD2 HIS 23 7.852 -0.183 -3.629
147 HE1 HIS 23 HE1 HIS 23 6.510 1.694 -7.154
148 H GLN 24 HN GLN 24 5.579 1.400 -1.618
149 HA GLN 24 HA GLN 24 6.794 -0.916 -0.270
150 HB2 GLN 24 HB2 GLN 24 4.149 0.392 0.325
151 HB3 GLN 24 HB1 GLN 24 4.685 -1.126 1.007
152 HG2 GLN 24 HG2 GLN 24 6.058 1.516 1.422
153 HG3 GLN 24 HG1 GLN 24 4.872 0.822 2.519
154 HE21 GLN 24 1HE2 GLN 24 6.230 0.665 4.209
155 HE22 GLN 24 2HE2 GLN 24 7.563 -0.425 4.283
156 H CYS 25 HN CYS 25 5.958 -2.895 -0.836
157 HA CYS 25 HA CYS 25 3.876 -2.965 -2.890
158 HB2 CYS 25 HB2 CYS 25 6.193 -4.847 -2.374
159 HB3 CYS 25 HB1 CYS 25 4.838 -5.273 -3.413
160 H PHE 26 HN PHE 26 2.171 -4.458 -2.541
161 HA PHE 26 HA PHE 26 2.058 -5.368 0.275
162 HB2 PHE 26 HB2 PHE 26 -0.256 -4.259 -1.279
163 HB3 PHE 26 HB1 PHE 26 -0.215 -4.658 0.433
164 HD1 PHE 26 HD1 PHE 26 1.635 -3.422 1.803
165 HD2 PHE 26 HD2 PHE 26 0.072 -2.105 -1.934
166 HE1 PHE 26 HE1 PHE 26 2.398 -1.132 2.270
167 HE2 PHE 26 HE2 PHE 26 0.824 0.112 -1.477
168 HZ PHE 26 HZ PHE 26 1.972 0.650 0.571
169 HA PRO 27 HA PRO 27 1.153 -9.214 -2.020
170 HB2 PRO 27 HB2 PRO 27 1.531 -10.328 0.686
171 HB3 PRO 27 HB1 PRO 27 2.328 -10.777 -0.823
172 HG2 PRO 27 HG2 PRO 27 3.638 -9.448 1.091
173 HG3 PRO 27 HG1 PRO 27 3.923 -9.123 -0.627
174 HD2 PRO 27 HD2 PRO 27 2.329 -7.551 1.353
175 HD3 PRO 27 HD1 PRO 27 3.415 -6.988 0.066
176 H ASP 28 HN ASP 28 -0.241 -7.784 0.792
177 HA ASP 28 HA ASP 28 -2.654 -9.470 0.509
178 HB2 ASP 28 HB2 ASP 28 -1.558 -8.304 3.079
179 HB3 ASP 28 HB1 ASP 28 -3.066 -9.187 2.921
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 -1.408 -6.538 -0.169
2 HA2 GLY 1 HA2 GLY 1 -2.646 -4.616 -0.633
3 HA3 GLY 1 HA1 GLY 1 -4.043 -5.365 0.118
4 H PHE 2 HN PHE 2 -3.505 -2.738 0.565
5 HA PHE 2 HA PHE 2 -3.202 -2.688 3.443
6 HB2 PHE 2 HB2 PHE 2 -0.901 -2.486 2.911
7 HB3 PHE 2 HB1 PHE 2 -1.223 -1.374 1.600
8 HD1 PHE 2 HD1 PHE 2 -1.585 -1.610 5.318
9 HD2 PHE 2 HD2 PHE 2 -0.807 0.823 1.924
10 HE1 PHE 2 HE1 PHE 2 -1.056 0.288 6.797
11 HE2 PHE 2 HE2 PHE 2 -0.288 2.701 3.350
12 HZ PHE 2 HZ PHE 2 -0.406 2.458 5.823
13 H CYS 3 HN CYS 3 -4.322 -0.932 4.365
14 HA CYS 3 HA CYS 3 -5.738 0.665 2.427
15 HB2 CYS 3 HB2 CYS 3 -6.538 -0.102 5.233
16 HB3 CYS 3 HB1 CYS 3 -7.468 0.935 4.158
17 H TRP 4 HN TRP 4 -5.361 2.670 2.350
18 HA TRP 4 HA TRP 4 -4.185 4.115 4.570
19 HB2 TRP 4 HB2 TRP 4 -2.194 3.462 3.578
20 HB3 TRP 4 HB1 TRP 4 -2.862 3.494 1.953
21 HD1 TRP 4 HD1 TRP 4 -1.220 5.758 4.566
22 HE1 TRP 4 HE1 TRP 4 -0.635 7.987 3.417
23 HE3 TRP 4 3HE TRP 4 -3.479 4.936 0.099
24 HZ2 TRP 4 HZ2 TRP 4 -1.105 9.192 1.004
25 HZ3 TRP 4 HZ3 TRP 4 -3.384 6.603 -1.615
26 HH2 TRP 4 2HH TRP 4 -2.202 8.772 -1.220
27 H HIS 5 HN HIS 5 -4.335 6.442 4.348
28 HA HIS 5 HA HIS 5 -5.902 8.067 4.271
29 HB2 HIS 5 HB2 HIS 5 -4.190 8.131 1.894
30 HB3 HIS 5 HB1 HIS 5 -5.476 9.345 2.009
31 HD1 HIS 5 HD1 HIS 5 -3.992 11.351 2.559
32 HD2 HIS 5 HD2 HIS 5 -3.353 8.115 5.070
33 HE1 HIS 5 HE1 HIS 5 -2.536 12.196 4.438
34 H HIS 6 HN HIS 6 -7.678 6.586 4.353
35 HA HIS 6 HA HIS 6 -9.868 6.269 4.019
36 HB2 HIS 6 HB2 HIS 6 -9.694 8.635 2.129
37 HB3 HIS 6 HB1 HIS 6 -11.189 7.920 2.712
38 HD1 HIS 6 HD1 HIS 6 -11.621 8.218 5.396
39 HD2 HIS 6 HD2 HIS 6 -8.570 10.500 3.733
40 HE1 HIS 6 HE1 HIS 6 -11.108 10.022 7.070
41 H SER 7 HN SER 7 -7.702 5.432 1.890
42 HA SER 7 HA SER 7 -9.645 4.214 0.075
43 HB2 SER 7 HB2 SER 7 -6.840 5.174 -0.547
44 HB3 SER 7 HB1 SER 7 -7.986 4.471 -1.689
45 HG SER 7 HG SER 7 -7.980 6.974 -0.451
46 H CYS 8 HN CYS 8 -8.136 2.342 -1.082
47 HA CYS 8 HA CYS 8 -6.249 1.260 0.755
48 HB2 CYS 8 HB2 CYS 8 -8.559 0.463 1.538
49 HB3 CYS 8 HB1 CYS 8 -8.642 -0.398 -0.004
50 H VAL 9 HN VAL 9 -4.961 -0.242 -0.204
51 HA VAL 9 HA VAL 9 -5.265 -0.351 -3.089
52 HB VAL 9 HB VAL 9 -2.777 -0.601 -3.243
53 HG11 VAL 9 HG11 VAL 9 -3.792 1.585 -3.741
54 HG12 VAL 9 HG12 VAL 9 -2.240 1.787 -2.896
55 HG13 VAL 9 3HG1 VAL 9 -3.737 1.991 -2.012
56 HG21 VAL 9 HG21 VAL 9 -2.769 0.431 -0.422
57 HG22 VAL 9 HG22 VAL 9 -1.369 0.262 -1.473
58 HG23 VAL 9 HG23 VAL 9 -2.235 -1.186 -0.932
59 HA PRO 10 HA PRO 10 -5.793 -4.659 -2.510
60 HB2 PRO 10 HB2 PRO 10 -5.591 -5.417 -5.121
61 HB3 PRO 10 HB1 PRO 10 -7.015 -4.620 -4.447
62 HG2 PRO 10 HG2 PRO 10 -4.790 -3.494 -6.067
63 HG3 PRO 10 HG1 PRO 10 -6.520 -3.119 -6.125
64 HD2 PRO 10 HD2 PRO 10 -4.654 -1.554 -4.892
65 HD3 PRO 10 HD1 PRO 10 -6.352 -1.586 -4.403
66 H SER 11 HN SER 11 -4.776 -6.792 -3.048
67 HA SER 11 HA SER 11 -2.064 -6.796 -2.386
68 HB2 SER 11 HB2 SER 11 -3.440 -9.125 -3.721
69 HB3 SER 11 HB1 SER 11 -2.238 -9.072 -2.414
70 HG SER 11 HG SER 11 -4.543 -9.524 -1.915
71 H GLY 12 HN GLY 12 -0.297 -6.711 -3.633
72 HA2 GLY 12 HA2 GLY 12 0.940 -7.304 -5.600
73 HA3 GLY 12 HA1 GLY 12 -0.547 -7.153 -6.532
74 H THR 13 HN THR 13 -0.831 -4.670 -4.591
75 HA THR 13 HA THR 13 0.058 -2.807 -6.562
76 HB THR 13 HB THR 13 -0.992 -2.275 -3.799
77 HG1 THR 13 HG1 THR 13 -2.619 -3.297 -4.751
78 HG21 THR 13 HG21 THR 13 -0.956 -0.503 -6.255
79 HG22 THR 13 HG22 THR 13 -0.005 -0.288 -4.777
80 HG23 THR 13 HG23 THR 13 -1.749 -0.103 -4.732
81 H CYS 14 HN CYS 14 1.474 -1.209 -6.217
82 HA CYS 14 HA CYS 14 3.353 -1.239 -4.014
83 HB2 CYS 14 HB2 CYS 14 4.243 -1.202 -6.935
84 HB3 CYS 14 HB1 CYS 14 5.268 -1.002 -5.539
85 H ALA 15 HN ALA 15 3.591 0.839 -3.438
86 HA ALA 15 HA ALA 15 3.113 2.859 -5.439
87 HB1 ALA 15 HB1 ALA 15 0.877 2.341 -4.609
88 HB2 ALA 15 HB2 ALA 15 1.372 3.981 -4.190
89 HB3 ALA 15 HB3 ALA 15 1.407 2.710 -2.968
90 H ASP 16 HN ASP 16 3.751 4.876 -4.843
91 HA ASP 16 HA ASP 16 5.861 4.880 -2.856
92 HB2 ASP 16 HB2 ASP 16 6.381 5.714 -5.091
93 HB3 ASP 16 HB1 ASP 16 5.073 6.877 -4.975
94 H PHE 17 HN PHE 17 5.214 5.261 -0.926
95 HA PHE 17 HA PHE 17 3.294 7.408 -0.513
96 HB2 PHE 17 HB2 PHE 17 3.959 5.013 1.209
97 HB3 PHE 17 HB1 PHE 17 2.860 6.229 1.706
98 HD1 PHE 17 HD1 PHE 17 2.842 3.054 0.439
99 HD2 PHE 17 HD2 PHE 17 1.111 6.857 -0.339
100 HE1 PHE 17 HE1 PHE 17 0.944 1.986 -0.670
101 HE2 PHE 17 HE2 PHE 17 -0.769 5.772 -1.450
102 HZ PHE 17 HZ PHE 17 -0.859 3.333 -1.612
103 HA PRO 18 HA PRO 18 6.459 9.633 1.636
104 HB2 PRO 18 HB2 PRO 18 4.704 10.151 3.932
105 HB3 PRO 18 HB1 PRO 18 5.360 11.290 2.755
106 HG2 PRO 18 HG2 PRO 18 2.746 10.632 2.825
107 HG3 PRO 18 HG1 PRO 18 3.587 11.035 1.319
108 HD2 PRO 18 HD2 PRO 18 2.838 8.332 2.394
109 HD3 PRO 18 HD1 PRO 18 2.796 8.948 0.730
110 H TRP 19 HN TRP 19 7.778 9.599 3.523
111 HA TRP 19 HA TRP 19 8.199 7.090 4.735
112 HB2 TRP 19 HB2 TRP 19 9.851 9.046 4.457
113 HB3 TRP 19 HB1 TRP 19 9.050 9.787 5.837
114 HD1 TRP 19 HD1 TRP 19 11.395 6.931 4.906
115 HE1 TRP 19 HE1 TRP 19 12.477 6.015 7.047
116 HE3 TRP 19 3HE TRP 19 8.682 9.526 8.298
117 HZ2 TRP 19 HZ2 TRP 19 12.212 6.368 9.830
118 HZ3 TRP 19 HZ3 TRP 19 9.147 9.201 10.712
119 HH2 TRP 19 2HH TRP 19 10.875 7.651 11.446
120 HA PRO 20 HA PRO 20 8.806 6.185 6.715
121 HB2 PRO 20 HB2 PRO 20 7.958 4.332 8.408
122 HB3 PRO 20 HB1 PRO 20 8.501 5.919 8.968
123 HG2 PRO 20 HG2 PRO 20 5.728 4.861 8.686
124 HG3 PRO 20 HG1 PRO 20 6.396 5.947 9.912
125 HD2 PRO 20 HD2 PRO 20 4.917 6.703 7.645
126 HD3 PRO 20 HD1 PRO 20 5.864 7.780 8.686
127 H LEU 21 HN LEU 21 6.031 5.884 4.983
128 HA LEU 21 HA LEU 21 6.018 3.031 4.765
129 HB2 LEU 21 HB2 LEU 21 4.635 5.230 3.263
130 HB3 LEU 21 HB1 LEU 21 4.492 3.545 2.802
131 HG LEU 21 HG LEU 21 3.674 4.596 5.519
132 HD11 LEU 21 HD11 LEU 21 2.301 5.599 3.740
133 HD12 LEU 21 HD12 LEU 21 1.388 4.390 4.662
134 HD13 LEU 21 HD13 LEU 21 2.042 3.985 3.073
135 HD21 LEU 21 HD21 LEU 21 2.481 2.485 5.625
136 HD22 LEU 21 HD22 LEU 21 4.219 2.212 5.391
137 HD23 LEU 21 HD23 LEU 21 3.096 2.084 4.023
138 H GLY 22 HN GLY 22 6.860 5.696 2.579
139 HA2 GLY 22 HA2 GLY 22 8.504 5.768 0.961
140 HA3 GLY 22 HA1 GLY 22 9.085 4.205 1.532
141 H HIS 23 HN HIS 23 9.234 3.363 -0.613
142 HA HIS 23 HA HIS 23 6.679 3.088 -1.975
143 HB2 HIS 23 HB2 HIS 23 8.810 3.579 -3.329
144 HB3 HIS 23 HB1 HIS 23 9.340 1.955 -2.900
145 HD1 HIS 23 HD1 HIS 23 7.257 3.794 -5.312
146 HD2 HIS 23 HD2 HIS 23 7.730 -0.070 -3.955
147 HE1 HIS 23 HE1 HIS 23 5.987 2.329 -6.946
148 H GLN 24 HN GLN 24 5.464 1.528 -1.406
149 HA GLN 24 HA GLN 24 6.642 -0.865 -0.145
150 HB2 GLN 24 HB2 GLN 24 4.026 0.528 0.316
151 HB3 GLN 24 HB1 GLN 24 4.430 -1.041 0.981
152 HG2 GLN 24 HG2 GLN 24 6.073 1.399 1.514
153 HG3 GLN 24 HG1 GLN 24 4.660 0.981 2.477
154 HE21 GLN 24 1HE2 GLN 24 5.823 0.689 4.291
155 HE22 GLN 24 2HE2 GLN 24 6.907 -0.637 4.539
156 H CYS 25 HN CYS 25 6.105 -2.779 -1.014
157 HA CYS 25 HA CYS 25 3.879 -2.883 -2.905
158 HB2 CYS 25 HB2 CYS 25 6.235 -4.733 -2.508
159 HB3 CYS 25 HB1 CYS 25 4.854 -5.144 -3.518
160 H PHE 26 HN PHE 26 2.199 -4.223 -2.513
161 HA PHE 26 HA PHE 26 2.071 -5.173 0.276
162 HB2 PHE 26 HB2 PHE 26 -0.177 -4.100 -1.408
163 HB3 PHE 26 HB1 PHE 26 -0.235 -4.480 0.306
164 HD1 PHE 26 HD1 PHE 26 1.377 -3.182 1.822
165 HD2 PHE 26 HD2 PHE 26 0.324 -1.956 -2.115
166 HE1 PHE 26 HE1 PHE 26 2.069 -0.890 2.341
167 HE2 PHE 26 HE2 PHE 26 1.008 0.299 -1.613
168 HZ PHE 26 HZ PHE 26 1.887 0.857 0.637
169 HA PRO 27 HA PRO 27 1.419 -9.037 -2.134
170 HB2 PRO 27 HB2 PRO 27 1.807 -10.188 0.570
171 HB3 PRO 27 HB1 PRO 27 2.629 -10.581 -0.941
172 HG2 PRO 27 HG2 PRO 27 3.892 -9.224 0.959
173 HG3 PRO 27 HG1 PRO 27 4.120 -8.812 -0.749
174 HD2 PRO 27 HD2 PRO 27 2.419 -7.464 1.313
175 HD3 PRO 27 HD1 PRO 27 3.489 -6.745 0.087
176 H ASP 28 HN ASP 28 -0.167 -7.835 0.682
177 HA ASP 28 HA ASP 28 -2.522 -9.472 0.061
178 HB2 ASP 28 HB2 ASP 28 -3.055 -9.732 2.440
179 HB3 ASP 28 HB1 ASP 28 -1.466 -10.400 2.100
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 -1.636 -6.593 -0.329
2 HA2 GLY 1 HA2 GLY 1 -2.887 -4.693 -0.788
3 HA3 GLY 1 HA1 GLY 1 -4.244 -5.429 0.052
4 H PHE 2 HN PHE 2 -3.559 -2.723 0.331
5 HA PHE 2 HA PHE 2 -3.248 -2.675 3.211
6 HB2 PHE 2 HB2 PHE 2 -0.955 -2.528 2.531
7 HB3 PHE 2 HB1 PHE 2 -1.332 -1.311 1.331
8 HD1 PHE 2 HD1 PHE 2 -0.959 0.861 1.820
9 HD2 PHE 2 HD2 PHE 2 -1.464 -1.885 5.009
10 HE1 PHE 2 HE1 PHE 2 -0.367 2.612 3.372
11 HE2 PHE 2 HE2 PHE 2 -0.878 -0.130 6.621
12 HZ PHE 2 HZ PHE 2 -0.314 2.141 5.817
13 H CYS 3 HN CYS 3 -4.458 -1.040 4.095
14 HA CYS 3 HA CYS 3 -5.735 0.657 2.164
15 HB2 CYS 3 HB2 CYS 3 -6.727 -0.228 4.883
16 HB3 CYS 3 HB1 CYS 3 -7.580 0.847 3.784
17 H TRP 4 HN TRP 4 -5.531 2.707 2.333
18 HA TRP 4 HA TRP 4 -4.390 4.017 4.636
19 HB2 TRP 4 HB2 TRP 4 -2.355 3.277 3.745
20 HB3 TRP 4 HB1 TRP 4 -2.887 3.493 2.087
21 HD1 TRP 4 HD1 TRP 4 -1.524 5.493 5.074
22 HE1 TRP 4 HE1 TRP 4 -0.634 7.738 4.155
23 HE3 TRP 4 3HE TRP 4 -3.029 5.020 0.245
24 HZ2 TRP 4 HZ2 TRP 4 -0.601 9.083 1.744
25 HZ3 TRP 4 HZ3 TRP 4 -2.539 6.767 -1.340
26 HH2 TRP 4 2HH TRP 4 -1.326 8.824 -0.635
27 H HIS 5 HN HIS 5 -4.421 6.443 4.408
28 HA HIS 5 HA HIS 5 -5.511 8.337 4.053
29 HB2 HIS 5 HB2 HIS 5 -3.988 7.855 1.958
30 HB3 HIS 5 HB1 HIS 5 -5.540 7.802 1.122
31 HD1 HIS 5 HD1 HIS 5 -6.175 10.051 0.204
32 HD2 HIS 5 HD2 HIS 5 -3.930 10.214 3.670
33 HE1 HIS 5 HE1 HIS 5 -5.836 12.503 0.662
34 H HIS 6 HN HIS 6 -7.257 6.027 4.373
35 HA HIS 6 HA HIS 6 -9.390 5.434 4.387
36 HB2 HIS 6 HB2 HIS 6 -9.884 8.241 3.372
37 HB3 HIS 6 HB1 HIS 6 -11.201 7.108 3.657
38 HD1 HIS 6 HD1 HIS 6 -11.703 6.489 6.159
39 HD2 HIS 6 HD2 HIS 6 -8.721 9.333 5.641
40 HE1 HIS 6 HE1 HIS 6 -11.305 7.507 8.434
41 H SER 7 HN SER 7 -7.641 5.395 1.913
42 HA SER 7 HA SER 7 -9.665 4.281 0.109
43 HB2 SER 7 HB2 SER 7 -6.860 5.293 -0.481
44 HB3 SER 7 HB1 SER 7 -8.027 4.707 -1.669
45 HG SER 7 HG SER 7 -9.389 6.401 -1.023
46 H CYS 8 HN CYS 8 -8.086 2.495 -1.288
47 HA CYS 8 HA CYS 8 -6.257 1.281 0.531
48 HB2 CYS 8 HB2 CYS 8 -8.580 0.458 1.162
49 HB3 CYS 8 HB1 CYS 8 -8.604 -0.320 -0.427
50 H VAL 9 HN VAL 9 -4.925 -0.152 -0.418
51 HA VAL 9 HA VAL 9 -5.105 -0.228 -3.314
52 HB VAL 9 HB VAL 9 -2.582 -0.455 -3.355
53 HG11 VAL 9 HG11 VAL 9 -2.114 1.921 -2.996
54 HG12 VAL 9 HG12 VAL 9 -3.620 2.089 -2.111
55 HG13 VAL 9 3HG1 VAL 9 -3.651 1.710 -3.847
56 HG21 VAL 9 HG21 VAL 9 -2.754 0.503 -0.504
57 HG22 VAL 9 HG22 VAL 9 -1.297 0.359 -1.483
58 HG23 VAL 9 HG23 VAL 9 -2.189 -1.096 -1.030
59 HA PRO 10 HA PRO 10 -5.670 -4.508 -2.756
60 HB2 PRO 10 HB2 PRO 10 -5.390 -5.313 -5.329
61 HB3 PRO 10 HB1 PRO 10 -6.816 -4.471 -4.717
62 HG2 PRO 10 HG2 PRO 10 -4.527 -3.424 -6.296
63 HG3 PRO 10 HG1 PRO 10 -6.244 -3.000 -6.381
64 HD2 PRO 10 HD2 PRO 10 -4.336 -1.481 -5.113
65 HD3 PRO 10 HD1 PRO 10 -6.060 -1.448 -4.714
66 H SER 11 HN SER 11 -4.774 -6.624 -3.292
67 HA SER 11 HA SER 11 -2.049 -6.727 -2.502
68 HB2 SER 11 HB2 SER 11 -3.688 -9.043 -3.546
69 HB3 SER 11 HB1 SER 11 -2.391 -9.011 -2.326
70 HG SER 11 HG SER 11 -4.260 -7.360 -1.535
71 H GLY 12 HN GLY 12 -0.340 -6.742 -3.802
72 HA2 GLY 12 HA2 GLY 12 0.812 -7.558 -5.765
73 HA3 GLY 12 HA1 GLY 12 -0.710 -7.429 -6.645
74 H THR 13 HN THR 13 -0.749 -4.843 -4.776
75 HA THR 13 HA THR 13 0.267 -3.119 -6.854
76 HB THR 13 HB THR 13 -1.252 -2.600 -4.307
77 HG1 THR 13 HG1 THR 13 -2.081 -3.609 -6.515
78 HG21 THR 13 HG21 THR 13 -0.668 -0.643 -6.548
79 HG22 THR 13 HG22 THR 13 -0.070 -0.564 -4.879
80 HG23 THR 13 HG23 THR 13 -1.786 -0.363 -5.209
81 H CYS 14 HN CYS 14 1.556 -1.327 -6.200
82 HA CYS 14 HA CYS 14 3.239 -1.440 -3.865
83 HB2 CYS 14 HB2 CYS 14 4.383 -1.528 -6.685
84 HB3 CYS 14 HB1 CYS 14 5.322 -1.179 -5.247
85 H ALA 15 HN ALA 15 3.567 0.635 -3.254
86 HA ALA 15 HA ALA 15 3.093 2.703 -5.235
87 HB1 ALA 15 HB1 ALA 15 1.418 2.439 -2.747
88 HB2 ALA 15 HB2 ALA 15 0.873 2.137 -4.397
89 HB3 ALA 15 HB3 ALA 15 1.346 3.763 -3.907
90 H ASP 16 HN ASP 16 3.882 4.663 -4.677
91 HA ASP 16 HA ASP 16 5.824 4.670 -2.512
92 HB2 ASP 16 HB2 ASP 16 6.621 5.450 -4.668
93 HB3 ASP 16 HB1 ASP 16 5.313 6.625 -4.768
94 H PHE 17 HN PHE 17 5.260 5.226 -0.673
95 HA PHE 17 HA PHE 17 3.160 7.225 -0.311
96 HB2 PHE 17 HB2 PHE 17 4.007 4.916 1.438
97 HB3 PHE 17 HB1 PHE 17 2.883 6.088 1.976
98 HD1 PHE 17 HD1 PHE 17 1.608 6.333 -0.947
99 HD2 PHE 17 HD2 PHE 17 2.309 3.136 1.760
100 HE1 PHE 17 HE1 PHE 17 -0.302 5.122 -1.888
101 HE2 PHE 17 HE2 PHE 17 0.415 1.931 0.820
102 HZ PHE 17 HZ PHE 17 -0.900 2.910 -1.006
103 HA PRO 18 HA PRO 18 5.797 9.974 1.917
104 HB2 PRO 18 HB2 PRO 18 3.956 9.706 4.238
105 HB3 PRO 18 HB1 PRO 18 4.498 11.165 3.400
106 HG2 PRO 18 HG2 PRO 18 2.047 10.263 3.010
107 HG3 PRO 18 HG1 PRO 18 3.008 10.860 1.642
108 HD2 PRO 18 HD2 PRO 18 2.430 8.033 2.442
109 HD3 PRO 18 HD1 PRO 18 2.464 8.746 0.833
110 H TRP 19 HN TRP 19 7.130 10.186 3.779
111 HA TRP 19 HA TRP 19 8.457 7.850 4.597
112 HB2 TRP 19 HB2 TRP 19 9.261 10.312 4.427
113 HB3 TRP 19 HB1 TRP 19 8.515 10.523 5.999
114 HD1 TRP 19 HD1 TRP 19 11.474 8.900 4.276
115 HE1 TRP 19 HE1 TRP 19 13.211 8.245 6.017
116 HE3 TRP 19 3HE TRP 19 8.733 9.831 8.430
117 HZ2 TRP 19 HZ2 TRP 19 13.398 8.123 8.866
118 HZ3 TRP 19 HZ3 TRP 19 9.747 9.427 10.660
119 HH2 TRP 19 2HH TRP 19 12.033 8.587 10.860
120 HA PRO 20 HA PRO 20 9.356 6.782 6.060
121 HB2 PRO 20 HB2 PRO 20 9.478 4.834 7.818
122 HB3 PRO 20 HB1 PRO 20 9.678 6.512 8.336
123 HG2 PRO 20 HG2 PRO 20 7.347 4.695 8.688
124 HG3 PRO 20 HG1 PRO 20 7.929 5.994 9.741
125 HD2 PRO 20 HD2 PRO 20 5.833 6.131 7.800
126 HD3 PRO 20 HD1 PRO 20 6.493 7.462 8.768
127 H LEU 21 HN LEU 21 6.450 5.985 4.957
128 HA LEU 21 HA LEU 21 6.574 3.151 4.789
129 HB2 LEU 21 HB2 LEU 21 4.938 5.258 3.401
130 HB3 LEU 21 HB1 LEU 21 4.766 3.550 3.054
131 HG LEU 21 HG LEU 21 4.337 4.700 5.820
132 HD11 LEU 21 HD11 LEU 21 2.310 4.071 3.674
133 HD12 LEU 21 HD12 LEU 21 2.732 5.694 4.228
134 HD13 LEU 21 HD13 LEU 21 1.949 4.558 5.328
135 HD21 LEU 21 HD21 LEU 21 4.819 2.312 5.704
136 HD22 LEU 21 HD22 LEU 21 3.558 2.153 4.472
137 HD23 LEU 21 HD23 LEU 21 3.117 2.599 6.118
138 H GLY 22 HN GLY 22 6.980 5.784 2.439
139 HA2 GLY 22 HA2 GLY 22 8.373 5.905 0.598
140 HA3 GLY 22 HA1 GLY 22 9.190 4.464 1.204
141 H HIS 23 HN HIS 23 9.265 3.462 -0.822
142 HA HIS 23 HA HIS 23 6.735 2.965 -2.150
143 HB2 HIS 23 HB2 HIS 23 8.846 3.402 -3.493
144 HB3 HIS 23 HB1 HIS 23 9.461 1.864 -2.908
145 HD1 HIS 23 HD1 HIS 23 7.359 3.362 -5.551
146 HD2 HIS 23 HD2 HIS 23 8.031 -0.346 -3.857
147 HE1 HIS 23 HE1 HIS 23 6.365 1.702 -7.147
148 H GLN 24 HN GLN 24 5.532 1.681 -1.066
149 HA GLN 24 HA GLN 24 6.593 -0.752 0.193
150 HB2 GLN 24 HB2 GLN 24 3.983 0.727 0.442
151 HB3 GLN 24 HB1 GLN 24 4.305 -0.813 1.215
152 HG2 GLN 24 HG2 GLN 24 6.007 1.610 1.704
153 HG3 GLN 24 HG1 GLN 24 4.548 1.257 2.633
154 HE21 GLN 24 1HE2 GLN 24 4.558 -0.436 3.990
155 HE22 GLN 24 2HE2 GLN 24 6.011 -1.222 4.500
156 H CYS 25 HN CYS 25 5.736 -2.757 -0.331
157 HA CYS 25 HA CYS 25 3.876 -2.829 -2.579
158 HB2 CYS 25 HB2 CYS 25 6.107 -4.748 -1.909
159 HB3 CYS 25 HB1 CYS 25 4.788 -5.181 -2.991
160 H PHE 26 HN PHE 26 2.204 -4.300 -2.506
161 HA PHE 26 HA PHE 26 1.561 -4.948 0.291
162 HB2 PHE 26 HB2 PHE 26 -0.447 -4.072 -1.770
163 HB3 PHE 26 HB1 PHE 26 -0.607 -4.077 -0.013
164 HD1 PHE 26 HD1 PHE 26 0.184 -2.127 -2.854
165 HD2 PHE 26 HD2 PHE 26 1.016 -2.568 1.273
166 HE1 PHE 26 HE1 PHE 26 1.059 0.146 -2.806
167 HE2 PHE 26 HE2 PHE 26 1.879 -0.263 1.337
168 HZ PHE 26 HZ PHE 26 1.905 1.085 -0.712
169 HA PRO 27 HA PRO 27 1.134 -8.803 -2.119
170 HB2 PRO 27 HB2 PRO 27 1.894 -10.492 -0.130
171 HB3 PRO 27 HB1 PRO 27 3.057 -9.614 -1.127
172 HG2 PRO 27 HG2 PRO 27 2.154 -9.074 1.653
173 HG3 PRO 27 HG1 PRO 27 3.747 -8.827 0.926
174 HD2 PRO 27 HD2 PRO 27 1.839 -6.865 1.388
175 HD3 PRO 27 HD1 PRO 27 3.195 -6.684 0.272
176 H ASP 28 HN ASP 28 -0.287 -7.655 0.672
177 HA ASP 28 HA ASP 28 -2.547 -9.514 0.454
178 HB2 ASP 28 HB2 ASP 28 -2.798 -9.469 2.862
179 HB3 ASP 28 HB1 ASP 28 -1.162 -9.984 2.475
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 -1.377 -6.435 -0.037
2 HA2 GLY 1 HA2 GLY 1 -2.507 -4.500 -0.691
3 HA3 GLY 1 HA1 GLY 1 -3.946 -5.107 0.114
4 H PHE 2 HN PHE 2 -3.459 -2.498 0.449
5 HA PHE 2 HA PHE 2 -2.859 -2.320 3.284
6 HB2 PHE 2 HB2 PHE 2 -0.670 -2.018 2.304
7 HB3 PHE 2 HB1 PHE 2 -1.296 -0.820 1.189
8 HD1 PHE 2 HD1 PHE 2 -1.046 -1.438 4.851
9 HD2 PHE 2 HD2 PHE 2 -0.922 1.357 1.665
10 HE1 PHE 2 HE1 PHE 2 -0.411 0.331 6.439
11 HE2 PHE 2 HE2 PHE 2 -0.299 3.129 3.204
12 HZ PHE 2 HZ PHE 2 -0.032 2.632 5.625
13 H CYS 3 HN CYS 3 -4.141 -0.782 4.227
14 HA CYS 3 HA CYS 3 -5.768 0.717 2.378
15 HB2 CYS 3 HB2 CYS 3 -6.379 -0.145 5.208
16 HB3 CYS 3 HB1 CYS 3 -7.442 0.832 4.201
17 H TRP 4 HN TRP 4 -5.493 2.712 2.232
18 HA TRP 4 HA TRP 4 -4.464 4.379 4.376
19 HB2 TRP 4 HB2 TRP 4 -2.410 3.588 3.493
20 HB3 TRP 4 HB1 TRP 4 -2.982 3.702 1.839
21 HD1 TRP 4 HD1 TRP 4 -1.904 6.008 4.737
22 HE1 TRP 4 HE1 TRP 4 -0.992 8.173 3.715
23 HE3 TRP 4 3HE TRP 4 -2.890 5.027 -0.148
24 HZ2 TRP 4 HZ2 TRP 4 -0.731 9.306 1.177
25 HZ3 TRP 4 HZ3 TRP 4 -2.284 6.651 -1.833
26 HH2 TRP 4 2HH TRP 4 -1.209 8.795 -1.209
27 H HIS 5 HN HIS 5 -4.580 6.733 3.779
28 HA HIS 5 HA HIS 5 -5.635 8.531 3.079
29 HB2 HIS 5 HB2 HIS 5 -4.336 7.480 1.036
30 HB3 HIS 5 HB1 HIS 5 -5.962 7.412 0.348
31 HD1 HIS 5 HD1 HIS 5 -6.680 9.560 -0.807
32 HD2 HIS 5 HD2 HIS 5 -3.719 10.074 2.028
33 HE1 HIS 5 HE1 HIS 5 -5.985 11.972 -1.006
34 H HIS 6 HN HIS 6 -7.317 6.375 4.111
35 HA HIS 6 HA HIS 6 -9.464 5.803 4.395
36 HB2 HIS 6 HB2 HIS 6 -9.959 8.425 2.961
37 HB3 HIS 6 HB1 HIS 6 -11.252 7.461 3.664
38 HD1 HIS 6 HD1 HIS 6 -11.443 7.470 6.266
39 HD2 HIS 6 HD2 HIS 6 -8.311 9.751 4.775
40 HE1 HIS 6 HE1 HIS 6 -10.626 8.870 8.194
41 H SER 7 HN SER 7 -7.976 5.115 1.935
42 HA SER 7 HA SER 7 -10.188 3.858 0.525
43 HB2 SER 7 HB2 SER 7 -7.679 5.059 -0.702
44 HB3 SER 7 HB1 SER 7 -9.014 4.292 -1.569
45 HG SER 7 HG SER 7 -9.946 6.181 0.039
46 H CYS 8 HN CYS 8 -8.545 2.146 -1.032
47 HA CYS 8 HA CYS 8 -6.431 1.271 0.702
48 HB2 CYS 8 HB2 CYS 8 -8.611 0.229 1.557
49 HB3 CYS 8 HB1 CYS 8 -8.632 -0.653 0.026
50 H VAL 9 HN VAL 9 -5.009 -0.041 -0.275
51 HA VAL 9 HA VAL 9 -5.399 -0.283 -3.141
52 HB VAL 9 HB VAL 9 -2.915 -0.438 -3.401
53 HG11 VAL 9 HG11 VAL 9 -2.366 1.879 -2.977
54 HG12 VAL 9 HG12 VAL 9 -3.820 2.052 -1.993
55 HG13 VAL 9 3HG1 VAL 9 -3.960 1.726 -3.739
56 HG21 VAL 9 HG21 VAL 9 -2.767 0.377 -0.499
57 HG22 VAL 9 HG22 VAL 9 -1.435 0.348 -1.633
58 HG23 VAL 9 HG23 VAL 9 -2.220 -1.169 -1.178
59 HA PRO 10 HA PRO 10 -5.791 -4.574 -2.453
60 HB2 PRO 10 HB2 PRO 10 -5.602 -5.429 -5.018
61 HB3 PRO 10 HB1 PRO 10 -7.019 -4.571 -4.398
62 HG2 PRO 10 HG2 PRO 10 -4.727 -3.544 -6.015
63 HG3 PRO 10 HG1 PRO 10 -6.456 -3.189 -6.174
64 HD2 PRO 10 HD2 PRO 10 -4.695 -1.518 -4.946
65 HD3 PRO 10 HD1 PRO 10 -6.410 -1.615 -4.505
66 H SER 11 HN SER 11 -4.705 -6.655 -2.863
67 HA SER 11 HA SER 11 -1.945 -6.550 -2.411
68 HB2 SER 11 HB2 SER 11 -3.068 -8.402 -1.535
69 HB3 SER 11 HB1 SER 11 -3.837 -8.830 -3.080
70 HG SER 11 HG SER 11 -1.595 -9.730 -2.007
71 H GLY 12 HN GLY 12 -0.222 -6.851 -3.713
72 HA2 GLY 12 HA2 GLY 12 0.820 -7.420 -5.781
73 HA3 GLY 12 HA1 GLY 12 -0.718 -7.146 -6.589
74 H THR 13 HN THR 13 -0.910 -4.658 -4.780
75 HA THR 13 HA THR 13 0.045 -2.840 -6.747
76 HB THR 13 HB THR 13 -0.967 -2.262 -3.972
77 HG1 THR 13 HG1 THR 13 -2.653 -3.219 -4.787
78 HG21 THR 13 HG21 THR 13 -1.004 -0.559 -6.480
79 HG22 THR 13 HG22 THR 13 -0.002 -0.298 -5.043
80 HG23 THR 13 HG23 THR 13 -1.748 -0.129 -4.937
81 H CYS 14 HN CYS 14 1.465 -1.165 -6.369
82 HA CYS 14 HA CYS 14 3.420 -1.217 -4.247
83 HB2 CYS 14 HB2 CYS 14 4.213 -1.390 -7.190
84 HB3 CYS 14 HB1 CYS 14 5.311 -1.071 -5.865
85 H ALA 15 HN ALA 15 3.761 0.873 -3.730
86 HA ALA 15 HA ALA 15 3.585 2.943 -5.734
87 HB1 ALA 15 HB1 ALA 15 1.595 2.878 -3.460
88 HB2 ALA 15 HB2 ALA 15 1.210 2.646 -5.165
89 HB3 ALA 15 HB3 ALA 15 1.806 4.209 -4.598
90 H ASP 16 HN ASP 16 3.982 5.110 -4.668
91 HA ASP 16 HA ASP 16 5.963 4.717 -2.550
92 HB2 ASP 16 HB2 ASP 16 6.645 5.771 -4.754
93 HB3 ASP 16 HB1 ASP 16 5.590 7.117 -4.333
94 H PHE 17 HN PHE 17 5.322 5.177 -0.638
95 HA PHE 17 HA PHE 17 3.077 7.013 -0.209
96 HB2 PHE 17 HB2 PHE 17 4.139 4.712 1.444
97 HB3 PHE 17 HB1 PHE 17 2.821 5.725 1.952
98 HD1 PHE 17 HD1 PHE 17 3.855 3.176 -0.475
99 HD2 PHE 17 HD2 PHE 17 0.581 5.440 1.039
100 HE1 PHE 17 HE1 PHE 17 2.314 1.772 -1.675
101 HE2 PHE 17 HE2 PHE 17 -0.955 4.016 -0.169
102 HZ PHE 17 HZ PHE 17 -0.114 2.183 -1.543
103 HA PRO 18 HA PRO 18 5.578 9.760 2.274
104 HB2 PRO 18 HB2 PRO 18 3.790 9.309 4.604
105 HB3 PRO 18 HB1 PRO 18 4.207 10.817 3.787
106 HG2 PRO 18 HG2 PRO 18 1.805 9.739 3.464
107 HG3 PRO 18 HG1 PRO 18 2.651 10.486 2.096
108 HD2 PRO 18 HD2 PRO 18 2.356 7.595 2.794
109 HD3 PRO 18 HD1 PRO 18 2.231 8.375 1.204
110 H TRP 19 HN TRP 19 6.960 9.877 4.122
111 HA TRP 19 HA TRP 19 8.299 7.523 4.860
112 HB2 TRP 19 HB2 TRP 19 9.203 9.881 4.864
113 HB3 TRP 19 HB1 TRP 19 8.241 10.186 6.301
114 HD1 TRP 19 HD1 TRP 19 11.412 8.441 5.125
115 HE1 TRP 19 HE1 TRP 19 12.811 7.794 7.173
116 HE3 TRP 19 3HE TRP 19 8.048 9.546 8.720
117 HZ2 TRP 19 HZ2 TRP 19 12.525 7.769 9.990
118 HZ3 TRP 19 HZ3 TRP 19 8.663 9.199 11.112
119 HH2 TRP 19 2HH TRP 19 10.861 8.323 11.715
120 HA PRO 20 HA PRO 20 9.250 6.433 6.262
121 HB2 PRO 20 HB2 PRO 20 9.394 4.339 7.875
122 HB3 PRO 20 HB1 PRO 20 9.564 5.982 8.501
123 HG2 PRO 20 HG2 PRO 20 7.285 4.099 8.762
124 HG3 PRO 20 HG1 PRO 20 7.795 5.411 9.838
125 HD2 PRO 20 HD2 PRO 20 5.747 5.442 7.824
126 HD3 PRO 20 HD1 PRO 20 6.244 6.765 8.892
127 H LEU 21 HN LEU 21 6.448 5.610 5.041
128 HA LEU 21 HA LEU 21 6.681 2.797 4.637
129 HB2 LEU 21 HB2 LEU 21 5.005 4.943 3.365
130 HB3 LEU 21 HB1 LEU 21 4.887 3.249 2.930
131 HG LEU 21 HG LEU 21 4.391 4.226 5.746
132 HD11 LEU 21 HD11 LEU 21 2.827 5.357 4.250
133 HD12 LEU 21 HD12 LEU 21 1.998 4.097 5.171
134 HD13 LEU 21 HD13 LEU 21 2.430 3.819 3.486
135 HD21 LEU 21 HD21 LEU 21 3.585 1.769 4.225
136 HD22 LEU 21 HD22 LEU 21 3.181 2.117 5.908
137 HD23 LEU 21 HD23 LEU 21 4.865 1.834 5.439
138 H GLY 22 HN GLY 22 7.005 5.646 2.524
139 HA2 GLY 22 HA2 GLY 22 8.281 5.948 0.624
140 HA3 GLY 22 HA1 GLY 22 9.247 4.561 1.128
141 H HIS 23 HN HIS 23 9.317 3.568 -0.876
142 HA HIS 23 HA HIS 23 6.838 3.015 -2.260
143 HB2 HIS 23 HB2 HIS 23 8.996 3.491 -3.501
144 HB3 HIS 23 HB1 HIS 23 9.599 1.957 -2.898
145 HD1 HIS 23 HD1 HIS 23 7.434 3.440 -5.521
146 HD2 HIS 23 HD2 HIS 23 8.380 -0.272 -3.980
147 HE1 HIS 23 HE1 HIS 23 6.569 1.758 -7.206
148 H GLN 24 HN GLN 24 5.607 1.493 -1.651
149 HA GLN 24 HA GLN 24 6.761 -0.898 -0.366
150 HB2 GLN 24 HB2 GLN 24 4.127 0.454 0.157
151 HB3 GLN 24 HB1 GLN 24 4.608 -1.086 0.828
152 HG2 GLN 24 HG2 GLN 24 5.966 1.544 1.361
153 HG3 GLN 24 HG1 GLN 24 4.766 0.790 2.402
154 HE21 GLN 24 1HE2 GLN 24 6.036 0.512 4.124
155 HE22 GLN 24 2HE2 GLN 24 7.403 -0.538 4.173
156 H CYS 25 HN CYS 25 5.953 -2.841 -1.007
157 HA CYS 25 HA CYS 25 3.828 -2.861 -2.996
158 HB2 CYS 25 HB2 CYS 25 6.141 -4.782 -2.570
159 HB3 CYS 25 HB1 CYS 25 4.766 -5.138 -3.612
160 H PHE 26 HN PHE 26 2.187 -4.503 -2.654
161 HA PHE 26 HA PHE 26 2.068 -5.123 0.228
162 HB2 PHE 26 HB2 PHE 26 -0.201 -4.198 -1.501
163 HB3 PHE 26 HB1 PHE 26 -0.272 -4.525 0.228
164 HD1 PHE 26 HD1 PHE 26 1.570 -3.293 1.607
165 HD2 PHE 26 HD2 PHE 26 0.078 -2.014 -2.165
166 HE1 PHE 26 HE1 PHE 26 2.327 -1.009 2.073
167 HE2 PHE 26 HE2 PHE 26 0.825 0.216 -1.705
168 HZ PHE 26 HZ PHE 26 1.941 0.752 0.384
169 HA PRO 27 HA PRO 27 1.438 -9.304 -1.470
170 HB2 PRO 27 HB2 PRO 27 1.692 -9.903 1.421
171 HB3 PRO 27 HB1 PRO 27 2.548 -10.616 0.052
172 HG2 PRO 27 HG2 PRO 27 3.796 -8.931 1.679
173 HG3 PRO 27 HG1 PRO 27 4.077 -8.873 -0.069
174 HD2 PRO 27 HD2 PRO 27 2.380 -7.093 1.635
175 HD3 PRO 27 HD1 PRO 27 3.478 -6.671 0.305
176 H ASP 28 HN ASP 28 -0.225 -7.589 1.031
177 HA ASP 28 HA ASP 28 -2.584 -9.272 0.572
178 HB2 ASP 28 HB2 ASP 28 -3.190 -9.252 2.923
179 HB3 ASP 28 HB1 ASP 28 -1.556 -9.875 2.770
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 -1.369 -6.419 -0.038
2 HA2 GLY 1 HA2 GLY 1 -2.492 -4.474 -0.575
3 HA3 GLY 1 HA1 GLY 1 -3.946 -5.155 0.133
4 H PHE 2 HN PHE 2 -3.628 -2.616 0.602
5 HA PHE 2 HA PHE 2 -3.260 -2.508 3.467
6 HB2 PHE 2 HB2 PHE 2 -0.977 -2.180 2.772
7 HB3 PHE 2 HB1 PHE 2 -1.460 -0.991 1.583
8 HD1 PHE 2 HD1 PHE 2 -1.010 1.163 2.078
9 HD2 PHE 2 HD2 PHE 2 -1.758 -1.536 5.274
10 HE1 PHE 2 HE1 PHE 2 -0.549 2.944 3.657
11 HE2 PHE 2 HE2 PHE 2 -1.302 0.253 6.893
12 HZ PHE 2 HZ PHE 2 -0.686 2.506 6.098
13 H CYS 3 HN CYS 3 -4.679 -1.030 4.317
14 HA CYS 3 HA CYS 3 -6.037 0.613 2.389
15 HB2 CYS 3 HB2 CYS 3 -6.921 -0.368 5.104
16 HB3 CYS 3 HB1 CYS 3 -7.836 0.770 4.124
17 H TRP 4 HN TRP 4 -5.946 2.634 2.487
18 HA TRP 4 HA TRP 4 -4.783 4.105 4.683
19 HB2 TRP 4 HB2 TRP 4 -2.768 3.327 3.804
20 HB3 TRP 4 HB1 TRP 4 -3.342 3.417 2.150
21 HD1 TRP 4 HD1 TRP 4 -1.992 5.662 4.957
22 HE1 TRP 4 HE1 TRP 4 -1.107 7.818 3.845
23 HE3 TRP 4 3HE TRP 4 -3.504 4.784 0.191
24 HZ2 TRP 4 HZ2 TRP 4 -1.100 8.937 1.413
25 HZ3 TRP 4 HZ3 TRP 4 -3.021 6.440 -1.520
26 HH2 TRP 4 2HH TRP 4 -1.820 8.516 -0.951
27 H HIS 5 HN HIS 5 -4.861 6.417 4.357
28 HA HIS 5 HA HIS 5 -6.323 8.104 4.167
29 HB2 HIS 5 HB2 HIS 5 -4.702 7.802 1.767
30 HB3 HIS 5 HB1 HIS 5 -5.931 9.093 1.696
31 HD1 HIS 5 HD1 HIS 5 -3.952 10.849 1.707
32 HD2 HIS 5 HD2 HIS 5 -4.112 8.389 5.035
33 HE1 HIS 5 HE1 HIS 5 -2.389 11.861 3.403
34 H HIS 6 HN HIS 6 -8.057 6.287 4.260
35 HA HIS 6 HA HIS 6 -10.243 5.836 3.966
36 HB2 HIS 6 HB2 HIS 6 -10.258 8.356 2.288
37 HB3 HIS 6 HB1 HIS 6 -11.707 7.445 2.687
38 HD1 HIS 6 HD1 HIS 6 -12.493 7.547 5.223
39 HD2 HIS 6 HD2 HIS 6 -9.265 9.977 4.259
40 HE1 HIS 6 HE1 HIS 6 -12.245 9.169 7.132
41 H SER 7 HN SER 7 -8.097 5.326 1.737
42 HA SER 7 HA SER 7 -9.983 4.019 -0.084
43 HB2 SER 7 HB2 SER 7 -7.225 5.126 -0.685
44 HB3 SER 7 HB1 SER 7 -8.325 4.374 -1.844
45 HG SER 7 HG SER 7 -9.472 6.386 -0.443
46 H CYS 8 HN CYS 8 -8.232 2.254 -1.297
47 HA CYS 8 HA CYS 8 -6.459 1.226 0.678
48 HB2 CYS 8 HB2 CYS 8 -8.817 0.292 1.184
49 HB3 CYS 8 HB1 CYS 8 -8.643 -0.557 -0.355
50 H VAL 9 HN VAL 9 -5.022 -0.183 -0.216
51 HA VAL 9 HA VAL 9 -5.185 -0.327 -3.103
52 HB VAL 9 HB VAL 9 -2.743 -0.516 -3.196
53 HG11 VAL 9 HG11 VAL 9 -2.168 1.840 -2.707
54 HG12 VAL 9 HG12 VAL 9 -3.672 2.003 -1.813
55 HG13 VAL 9 3HG1 VAL 9 -3.709 1.699 -3.562
56 HG21 VAL 9 HG21 VAL 9 -2.195 -1.294 -0.956
57 HG22 VAL 9 HG22 VAL 9 -2.701 0.278 -0.286
58 HG23 VAL 9 HG23 VAL 9 -1.311 0.180 -1.350
59 HA PRO 10 HA PRO 10 -5.708 -4.595 -2.399
60 HB2 PRO 10 HB2 PRO 10 -5.448 -5.454 -4.962
61 HB3 PRO 10 HB1 PRO 10 -6.885 -4.628 -4.354
62 HG2 PRO 10 HG2 PRO 10 -4.619 -3.547 -5.965
63 HG3 PRO 10 HG1 PRO 10 -6.349 -3.193 -6.091
64 HD2 PRO 10 HD2 PRO 10 -4.549 -1.559 -4.861
65 HD3 PRO 10 HD1 PRO 10 -6.260 -1.610 -4.416
66 H SER 11 HN SER 11 -4.642 -6.690 -2.779
67 HA SER 11 HA SER 11 -1.911 -6.631 -2.206
68 HB2 SER 11 HB2 SER 11 -3.346 -9.005 -3.386
69 HB3 SER 11 HB1 SER 11 -2.046 -8.934 -2.178
70 HG SER 11 HG SER 11 -4.764 -8.650 -1.860
71 H GLY 12 HN GLY 12 -0.186 -6.530 -3.540
72 HA2 GLY 12 HA2 GLY 12 0.913 -7.219 -5.574
73 HA3 GLY 12 HA1 GLY 12 -0.630 -7.041 -6.401
74 H THR 13 HN THR 13 -0.767 -4.559 -4.492
75 HA THR 13 HA THR 13 0.053 -2.709 -6.514
76 HB THR 13 HB THR 13 -0.904 -2.189 -3.726
77 HG1 THR 13 HG1 THR 13 -2.588 -3.145 -4.546
78 HG21 THR 13 HG21 THR 13 -0.918 -0.432 -6.191
79 HG22 THR 13 HG22 THR 13 0.012 -0.186 -4.702
80 HG23 THR 13 HG23 THR 13 -1.736 -0.033 -4.681
81 H CYS 14 HN CYS 14 1.482 -1.105 -6.215
82 HA CYS 14 HA CYS 14 3.457 -1.139 -4.099
83 HB2 CYS 14 HB2 CYS 14 4.163 -1.340 -7.049
84 HB3 CYS 14 HB1 CYS 14 5.313 -1.010 -5.761
85 H ALA 15 HN ALA 15 3.800 0.941 -3.589
86 HA ALA 15 HA ALA 15 3.491 2.983 -5.607
87 HB1 ALA 15 HB1 ALA 15 1.174 2.583 -4.949
88 HB2 ALA 15 HB2 ALA 15 1.719 4.188 -4.456
89 HB3 ALA 15 HB3 ALA 15 1.599 2.893 -3.267
90 H ASP 16 HN ASP 16 4.135 5.027 -4.888
91 HA ASP 16 HA ASP 16 6.043 4.861 -2.698
92 HB2 ASP 16 HB2 ASP 16 6.755 5.683 -4.954
93 HB3 ASP 16 HB1 ASP 16 5.667 7.048 -4.741
94 H PHE 17 HN PHE 17 5.464 5.485 -0.868
95 HA PHE 17 HA PHE 17 3.526 7.659 -0.543
96 HB2 PHE 17 HB2 PHE 17 3.982 5.186 1.131
97 HB3 PHE 17 HB1 PHE 17 2.893 6.436 1.608
98 HD1 PHE 17 HD1 PHE 17 1.369 7.100 -0.711
99 HD2 PHE 17 HD2 PHE 17 2.768 3.244 0.473
100 HE1 PHE 17 HE1 PHE 17 -0.460 6.033 -1.948
101 HE2 PHE 17 HE2 PHE 17 0.960 2.213 -0.743
102 HZ PHE 17 HZ PHE 17 -0.668 3.588 -1.969
103 HA PRO 18 HA PRO 18 6.617 9.668 2.013
104 HB2 PRO 18 HB2 PRO 18 4.720 9.903 4.270
105 HB3 PRO 18 HB1 PRO 18 5.524 11.179 3.352
106 HG2 PRO 18 HG2 PRO 18 2.911 10.703 3.059
107 HG3 PRO 18 HG1 PRO 18 3.922 11.169 1.681
108 HD2 PRO 18 HD2 PRO 18 2.912 8.448 2.446
109 HD3 PRO 18 HD1 PRO 18 3.028 9.197 0.842
110 H TRP 19 HN TRP 19 7.894 9.463 3.955
111 HA TRP 19 HA TRP 19 8.476 6.883 4.876
112 HB2 TRP 19 HB2 TRP 19 10.015 8.860 4.984
113 HB3 TRP 19 HB1 TRP 19 8.995 9.548 6.238
114 HD1 TRP 19 HD1 TRP 19 11.689 6.926 5.665
115 HE1 TRP 19 HE1 TRP 19 12.517 6.071 7.941
116 HE3 TRP 19 3HE TRP 19 8.244 9.145 8.608
117 HZ2 TRP 19 HZ2 TRP 19 11.799 6.326 10.664
118 HZ3 TRP 19 HZ3 TRP 19 8.356 8.816 11.077
119 HH2 TRP 19 2HH TRP 19 10.106 7.422 12.066
120 HA PRO 20 HA PRO 20 9.050 5.662 6.450
121 HB2 PRO 20 HB2 PRO 20 8.512 3.593 7.973
122 HB3 PRO 20 HB1 PRO 20 8.873 5.159 8.715
123 HG2 PRO 20 HG2 PRO 20 6.235 3.810 8.328
124 HG3 PRO 20 HG1 PRO 20 6.815 4.746 9.714
125 HD2 PRO 20 HD2 PRO 20 5.195 5.705 7.624
126 HD3 PRO 20 HD1 PRO 20 6.066 6.698 8.809
127 H LEU 21 HN LEU 21 6.392 5.595 4.752
128 HA LEU 21 HA LEU 21 6.213 2.782 4.224
129 HB2 LEU 21 HB2 LEU 21 4.911 5.214 3.028
130 HB3 LEU 21 HB1 LEU 21 4.611 3.583 2.457
131 HG LEU 21 HG LEU 21 4.065 4.402 5.316
132 HD11 LEU 21 HD11 LEU 21 2.179 4.379 2.965
133 HD12 LEU 21 HD12 LEU 21 2.730 5.823 3.823
134 HD13 LEU 21 HD13 LEU 21 1.724 4.629 4.649
135 HD21 LEU 21 HD21 LEU 21 3.046 2.204 3.563
136 HD22 LEU 21 HD22 LEU 21 2.612 2.467 5.256
137 HD23 LEU 21 HD23 LEU 21 4.267 2.012 4.822
138 H GLY 22 HN GLY 22 7.101 5.695 2.333
139 HA2 GLY 22 HA2 GLY 22 8.524 5.887 0.513
140 HA3 GLY 22 HA1 GLY 22 9.293 4.391 1.048
141 H HIS 23 HN HIS 23 9.380 3.341 -0.972
142 HA HIS 23 HA HIS 23 6.860 3.030 -2.392
143 HB2 HIS 23 HB2 HIS 23 8.948 3.450 -3.747
144 HB3 HIS 23 HB1 HIS 23 9.606 1.945 -3.127
145 HD1 HIS 23 HD1 HIS 23 7.260 3.298 -5.716
146 HD2 HIS 23 HD2 HIS 23 8.492 -0.340 -4.180
147 HE1 HIS 23 HE1 HIS 23 6.418 1.568 -7.322
148 H GLN 24 HN GLN 24 5.615 1.713 -1.348
149 HA GLN 24 HA GLN 24 6.697 -0.763 -0.184
150 HB2 GLN 24 HB2 GLN 24 4.063 0.622 0.153
151 HB3 GLN 24 HB1 GLN 24 4.436 -0.918 0.874
152 HG2 GLN 24 HG2 GLN 24 5.810 1.692 1.452
153 HG3 GLN 24 HG1 GLN 24 4.549 0.954 2.429
154 HE21 GLN 24 1HE2 GLN 24 5.717 0.731 4.239
155 HE22 GLN 24 2HE2 GLN 24 7.094 -0.303 4.387
156 H CYS 25 HN CYS 25 6.093 -2.705 -0.949
157 HA CYS 25 HA CYS 25 3.924 -2.805 -2.890
158 HB2 CYS 25 HB2 CYS 25 6.290 -4.660 -2.478
159 HB3 CYS 25 HB1 CYS 25 4.899 -5.095 -3.467
160 H PHE 26 HN PHE 26 2.217 -4.156 -2.448
161 HA PHE 26 HA PHE 26 2.132 -4.980 0.383
162 HB2 PHE 26 HB2 PHE 26 -0.119 -3.945 -1.322
163 HB3 PHE 26 HB1 PHE 26 -0.199 -4.314 0.393
164 HD1 PHE 26 HD1 PHE 26 1.295 -2.963 1.956
165 HD2 PHE 26 HD2 PHE 26 0.498 -1.839 -2.072
166 HE1 PHE 26 HE1 PHE 26 1.954 -0.652 2.461
167 HE2 PHE 26 HE2 PHE 26 1.151 0.438 -1.584
168 HZ PHE 26 HZ PHE 26 1.881 1.057 0.691
169 HA PRO 27 HA PRO 27 1.384 -8.943 -1.795
170 HB2 PRO 27 HB2 PRO 27 1.771 -10.099 0.868
171 HB3 PRO 27 HB1 PRO 27 2.679 -10.392 -0.615
172 HG2 PRO 27 HG2 PRO 27 3.728 -9.043 1.456
173 HG3 PRO 27 HG1 PRO 27 4.138 -8.656 -0.219
174 HD2 PRO 27 HD2 PRO 27 2.254 -7.269 1.643
175 HD3 PRO 27 HD1 PRO 27 3.408 -6.574 0.484
176 H ASP 28 HN ASP 28 -0.126 -7.589 0.946
177 HA ASP 28 HA ASP 28 -2.491 -9.269 0.485
178 HB2 ASP 28 HB2 ASP 28 -2.960 -9.442 2.839
179 HB3 ASP 28 HB1 ASP 28 -1.297 -9.949 2.597
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 -1.311 -6.287 0.188
2 HA2 GLY 1 HA2 GLY 1 -2.628 -4.446 -0.531
3 HA3 GLY 1 HA1 GLY 1 -3.998 -5.122 0.340
4 H PHE 2 HN PHE 2 -3.400 -2.457 0.585
5 HA PHE 2 HA PHE 2 -2.892 -2.243 3.442
6 HB2 PHE 2 HB2 PHE 2 -0.663 -1.973 2.578
7 HB3 PHE 2 HB1 PHE 2 -1.220 -0.843 1.362
8 HD1 PHE 2 HD1 PHE 2 -1.005 1.409 1.742
9 HD2 PHE 2 HD2 PHE 2 -1.006 -1.247 5.065
10 HE1 PHE 2 HE1 PHE 2 -0.448 3.265 3.201
11 HE2 PHE 2 HE2 PHE 2 -0.448 0.636 6.556
12 HZ PHE 2 HZ PHE 2 -0.166 2.893 5.628
13 H CYS 3 HN CYS 3 -4.133 -0.606 4.341
14 HA CYS 3 HA CYS 3 -5.732 0.815 2.428
15 HB2 CYS 3 HB2 CYS 3 -6.309 0.213 5.328
16 HB3 CYS 3 HB1 CYS 3 -7.397 1.016 4.200
17 H TRP 4 HN TRP 4 -5.660 2.841 2.307
18 HA TRP 4 HA TRP 4 -4.512 4.606 4.267
19 HB2 TRP 4 HB2 TRP 4 -2.461 3.786 3.389
20 HB3 TRP 4 HB1 TRP 4 -3.052 3.845 1.737
21 HD1 TRP 4 HD1 TRP 4 -1.982 6.226 4.559
22 HE1 TRP 4 HE1 TRP 4 -1.149 8.409 3.480
23 HE3 TRP 4 3HE TRP 4 -3.042 5.131 -0.277
24 HZ2 TRP 4 HZ2 TRP 4 -0.989 9.486 0.930
25 HZ3 TRP 4 HZ3 TRP 4 -2.521 6.753 -2.005
26 HH2 TRP 4 2HH TRP 4 -1.501 8.924 -1.439
27 H HIS 5 HN HIS 5 -4.758 6.902 3.633
28 HA HIS 5 HA HIS 5 -5.902 8.623 2.885
29 HB2 HIS 5 HB2 HIS 5 -4.548 7.586 0.877
30 HB3 HIS 5 HB1 HIS 5 -6.166 7.405 0.180
31 HD1 HIS 5 HD1 HIS 5 -6.905 9.461 -1.117
32 HD2 HIS 5 HD2 HIS 5 -4.117 10.252 1.832
33 HE1 HIS 5 HE1 HIS 5 -6.338 11.897 -1.374
34 H HIS 6 HN HIS 6 -7.340 6.324 3.931
35 HA HIS 6 HA HIS 6 -9.419 5.674 4.439
36 HB2 HIS 6 HB2 HIS 6 -10.311 7.971 2.675
37 HB3 HIS 6 HB1 HIS 6 -11.435 6.944 3.551
38 HD1 HIS 6 HD1 HIS 6 -12.206 8.071 5.654
39 HD2 HIS 6 HD2 HIS 6 -8.293 9.083 4.680
40 HE1 HIS 6 HE1 HIS 6 -11.429 9.669 7.440
41 H SER 7 HN SER 7 -8.090 5.339 1.539
42 HA SER 7 HA SER 7 -10.187 3.603 0.461
43 HB2 SER 7 HB2 SER 7 -7.680 4.741 -0.813
44 HB3 SER 7 HB1 SER 7 -8.929 3.811 -1.639
45 HG SER 7 HG SER 7 -10.328 5.591 -0.700
46 H CYS 8 HN CYS 8 -8.651 1.781 -0.899
47 HA CYS 8 HA CYS 8 -6.450 1.069 0.790
48 HB2 CYS 8 HB2 CYS 8 -8.631 0.022 1.702
49 HB3 CYS 8 HB1 CYS 8 -8.559 -0.963 0.228
50 H VAL 9 HN VAL 9 -4.980 -0.003 -0.199
51 HA VAL 9 HA VAL 9 -5.404 -0.351 -3.051
52 HB VAL 9 HB VAL 9 -2.932 -0.392 -3.324
53 HG11 VAL 9 HG11 VAL 9 -4.001 2.079 -1.978
54 HG12 VAL 9 HG12 VAL 9 -4.035 1.724 -3.723
55 HG13 VAL 9 3HG1 VAL 9 -2.494 1.991 -2.879
56 HG21 VAL 9 HG21 VAL 9 -2.182 -1.025 -1.085
57 HG22 VAL 9 HG22 VAL 9 -2.761 0.542 -0.460
58 HG23 VAL 9 HG23 VAL 9 -1.449 0.488 -1.611
59 HA PRO 10 HA PRO 10 -5.652 -4.603 -2.188
60 HB2 PRO 10 HB2 PRO 10 -5.671 -5.560 -4.710
61 HB3 PRO 10 HB1 PRO 10 -7.040 -4.688 -4.013
62 HG2 PRO 10 HG2 PRO 10 -4.917 -3.706 -5.869
63 HG3 PRO 10 HG1 PRO 10 -6.654 -3.361 -5.875
64 HD2 PRO 10 HD2 PRO 10 -4.761 -1.665 -4.868
65 HD3 PRO 10 HD1 PRO 10 -6.439 -1.687 -4.303
66 H SER 11 HN SER 11 -4.602 -6.663 -2.605
67 HA SER 11 HA SER 11 -1.871 -6.629 -2.256
68 HB2 SER 11 HB2 SER 11 -2.154 -9.102 -2.826
69 HB3 SER 11 HB1 SER 11 -3.099 -8.469 -1.480
70 HG SER 11 HG SER 11 -4.615 -9.470 -2.615
71 H GLY 12 HN GLY 12 -0.221 -6.513 -3.641
72 HA2 GLY 12 HA2 GLY 12 0.753 -7.144 -5.790
73 HA3 GLY 12 HA1 GLY 12 -0.827 -6.857 -6.501
74 H THR 13 HN THR 13 -0.948 -4.440 -4.603
75 HA THR 13 HA THR 13 -0.067 -2.589 -6.565
76 HB THR 13 HB THR 13 -0.919 -2.012 -3.744
77 HG1 THR 13 HG1 THR 13 -2.626 -3.043 -4.611
78 HG21 THR 13 HG21 THR 13 -1.651 0.175 -4.646
79 HG22 THR 13 HG22 THR 13 -1.022 -0.292 -6.226
80 HG23 THR 13 HG23 THR 13 0.077 -0.095 -4.860
81 H CYS 14 HN CYS 14 1.430 -1.102 -6.338
82 HA CYS 14 HA CYS 14 3.435 -1.112 -4.243
83 HB2 CYS 14 HB2 CYS 14 4.121 -1.391 -7.199
84 HB3 CYS 14 HB1 CYS 14 5.273 -1.063 -5.921
85 H ALA 15 HN ALA 15 3.816 0.959 -3.800
86 HA ALA 15 HA ALA 15 3.551 2.983 -5.852
87 HB1 ALA 15 HB1 ALA 15 1.818 4.258 -4.677
88 HB2 ALA 15 HB2 ALA 15 1.684 2.960 -3.489
89 HB3 ALA 15 HB3 ALA 15 1.219 2.667 -5.163
90 H ASP 16 HN ASP 16 4.044 5.148 -4.958
91 HA ASP 16 HA ASP 16 6.076 4.880 -2.889
92 HB2 ASP 16 HB2 ASP 16 6.693 5.904 -5.077
93 HB3 ASP 16 HB1 ASP 16 5.522 7.179 -4.766
94 H PHE 17 HN PHE 17 5.370 5.258 -0.956
95 HA PHE 17 HA PHE 17 3.316 7.300 -0.484
96 HB2 PHE 17 HB2 PHE 17 4.144 4.899 1.190
97 HB3 PHE 17 HB1 PHE 17 2.880 5.991 1.641
98 HD1 PHE 17 HD1 PHE 17 0.669 5.944 0.463
99 HD2 PHE 17 HD2 PHE 17 3.785 3.191 -0.507
100 HE1 PHE 17 HE1 PHE 17 -0.913 4.552 -0.717
101 HE2 PHE 17 HE2 PHE 17 2.193 1.832 -1.681
102 HZ PHE 17 HZ PHE 17 -0.176 2.490 -1.798
103 HA PRO 18 HA PRO 18 6.455 9.411 1.979
104 HB2 PRO 18 HB2 PRO 18 4.624 9.706 4.251
105 HB3 PRO 18 HB1 PRO 18 5.304 10.952 3.202
106 HG2 PRO 18 HG2 PRO 18 2.705 10.316 3.101
107 HG3 PRO 18 HG1 PRO 18 3.608 10.743 1.638
108 HD2 PRO 18 HD2 PRO 18 2.878 8.014 2.665
109 HD3 PRO 18 HD1 PRO 18 2.752 8.672 1.017
110 H TRP 19 HN TRP 19 7.750 9.235 3.923
111 HA TRP 19 HA TRP 19 8.220 6.644 4.932
112 HB2 TRP 19 HB2 TRP 19 9.783 8.699 4.900
113 HB3 TRP 19 HB1 TRP 19 8.906 9.254 6.315
114 HD1 TRP 19 HD1 TRP 19 11.474 6.666 5.196
115 HE1 TRP 19 HE1 TRP 19 12.562 5.616 7.275
116 HE3 TRP 19 3HE TRP 19 8.474 8.687 8.745
117 HZ2 TRP 19 HZ2 TRP 19 12.189 5.655 10.084
118 HZ3 TRP 19 HZ3 TRP 19 8.891 8.140 11.133
119 HH2 TRP 19 2HH TRP 19 10.710 6.652 11.770
120 HA PRO 20 HA PRO 20 8.826 5.570 6.880
121 HB2 PRO 20 HB2 PRO 20 7.969 3.536 8.315
122 HB3 PRO 20 HB1 PRO 20 8.343 5.083 9.089
123 HG2 PRO 20 HG2 PRO 20 5.681 3.951 8.315
124 HG3 PRO 20 HG1 PRO 20 6.147 4.754 9.823
125 HD2 PRO 20 HD2 PRO 20 4.863 6.011 7.719
126 HD3 PRO 20 HD1 PRO 20 5.856 6.841 8.934
127 H LEU 21 HN LEU 21 6.185 5.456 5.010
128 HA LEU 21 HA LEU 21 6.223 2.643 4.431
129 HB2 LEU 21 HB2 LEU 21 4.816 4.975 3.166
130 HB3 LEU 21 HB1 LEU 21 4.612 3.309 2.651
131 HG LEU 21 HG LEU 21 3.940 4.266 5.440
132 HD11 LEU 21 HD11 LEU 21 1.615 4.248 4.687
133 HD12 LEU 21 HD12 LEU 21 2.154 3.903 3.042
134 HD13 LEU 21 HD13 LEU 21 2.561 5.446 3.799
135 HD21 LEU 21 HD21 LEU 21 2.661 2.209 5.512
136 HD22 LEU 21 HD22 LEU 21 4.360 1.860 5.141
137 HD23 LEU 21 HD23 LEU 21 3.144 1.860 3.854
138 H GLY 22 HN GLY 22 6.941 5.630 2.613
139 HA2 GLY 22 HA2 GLY 22 8.397 5.963 0.851
140 HA3 GLY 22 HA1 GLY 22 9.227 4.483 1.340
141 H HIS 23 HN HIS 23 9.377 3.585 -0.763
142 HA HIS 23 HA HIS 23 6.876 3.183 -2.172
143 HB2 HIS 23 HB2 HIS 23 9.028 3.581 -3.484
144 HB3 HIS 23 HB1 HIS 23 9.592 2.025 -2.882
145 HD1 HIS 23 HD1 HIS 23 7.367 3.553 -5.448
146 HD2 HIS 23 HD2 HIS 23 8.281 -0.169 -3.913
147 HE1 HIS 23 HE1 HIS 23 6.276 1.887 -7.000
148 H GLN 24 HN GLN 24 5.626 1.571 -1.762
149 HA GLN 24 HA GLN 24 6.751 -0.785 -0.394
150 HB2 GLN 24 HB2 GLN 24 4.151 0.612 0.146
151 HB3 GLN 24 HB1 GLN 24 4.583 -0.951 0.794
152 HG2 GLN 24 HG2 GLN 24 6.095 1.583 1.332
153 HG3 GLN 24 HG1 GLN 24 4.805 0.960 2.351
154 HE21 GLN 24 1HE2 GLN 24 6.046 0.695 4.090
155 HE22 GLN 24 2HE2 GLN 24 7.303 -0.483 4.243
156 H CYS 25 HN CYS 25 6.028 -2.691 -1.073
157 HA CYS 25 HA CYS 25 3.843 -2.777 -2.991
158 HB2 CYS 25 HB2 CYS 25 6.180 -4.643 -2.538
159 HB3 CYS 25 HB1 CYS 25 4.784 -5.088 -3.513
160 H PHE 26 HN PHE 26 2.140 -4.200 -2.500
161 HA PHE 26 HA PHE 26 2.148 -4.956 0.352
162 HB2 PHE 26 HB2 PHE 26 -0.193 -4.017 -1.273
163 HB3 PHE 26 HB1 PHE 26 -0.183 -4.349 0.455
164 HD1 PHE 26 HD1 PHE 26 1.693 -3.052 1.777
165 HD2 PHE 26 HD2 PHE 26 0.033 -1.840 -1.956
166 HE1 PHE 26 HE1 PHE 26 2.398 -0.732 2.192
167 HE2 PHE 26 HE2 PHE 26 0.732 0.410 -1.543
168 HZ PHE 26 HZ PHE 26 1.904 1.005 0.492
169 HA PRO 27 HA PRO 27 1.603 -9.071 -1.516
170 HB2 PRO 27 HB2 PRO 27 1.645 -9.773 1.363
171 HB3 PRO 27 HB1 PRO 27 2.589 -10.444 0.030
172 HG2 PRO 27 HG2 PRO 27 3.694 -8.806 1.827
173 HG3 PRO 27 HG1 PRO 27 4.159 -8.758 0.119
174 HD2 PRO 27 HD2 PRO 27 2.431 -6.900 1.673
175 HD3 PRO 27 HD1 PRO 27 3.572 -6.551 0.360
176 H ASP 28 HN ASP 28 -0.161 -7.642 1.158
177 HA ASP 28 HA ASP 28 -2.475 -9.305 0.412
178 HB2 ASP 28 HB2 ASP 28 -3.236 -9.388 2.682
179 HB3 ASP 28 HB1 ASP 28 -1.557 -9.904 2.674
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 -1.508 -6.409 -0.054
2 HA2 GLY 1 HA2 GLY 1 -2.590 -4.459 -0.739
3 HA3 GLY 1 HA1 GLY 1 -4.058 -5.023 0.043
4 H PHE 2 HN PHE 2 -3.593 -2.469 0.426
5 HA PHE 2 HA PHE 2 -2.956 -2.323 3.241
6 HB2 PHE 2 HB2 PHE 2 -0.779 -1.975 2.210
7 HB3 PHE 2 HB1 PHE 2 -1.446 -0.736 1.165
8 HD1 PHE 2 HD1 PHE 2 -0.917 1.404 1.717
9 HD2 PHE 2 HD2 PHE 2 -1.285 -1.477 4.820
10 HE1 PHE 2 HE1 PHE 2 -0.295 3.096 3.329
11 HE2 PHE 2 HE2 PHE 2 -0.670 0.215 6.472
12 HZ PHE 2 HZ PHE 2 -0.154 2.525 5.744
13 H CYS 3 HN CYS 3 -4.352 -0.894 4.184
14 HA CYS 3 HA CYS 3 -5.936 0.668 2.309
15 HB2 CYS 3 HB2 CYS 3 -6.705 -0.315 5.062
16 HB3 CYS 3 HB1 CYS 3 -7.737 0.583 3.952
17 H TRP 4 HN TRP 4 -5.570 2.686 2.287
18 HA TRP 4 HA TRP 4 -4.707 4.151 4.643
19 HB2 TRP 4 HB2 TRP 4 -2.614 3.408 3.859
20 HB3 TRP 4 HB1 TRP 4 -3.072 3.619 2.179
21 HD1 TRP 4 HD1 TRP 4 -2.139 5.723 5.261
22 HE1 TRP 4 HE1 TRP 4 -1.153 7.937 4.415
23 HE3 TRP 4 3HE TRP 4 -2.902 5.033 0.301
24 HZ2 TRP 4 HZ2 TRP 4 -0.776 9.203 1.965
25 HZ3 TRP 4 HZ3 TRP 4 -2.208 6.728 -1.267
26 HH2 TRP 4 2HH TRP 4 -1.142 8.832 -0.476
27 H HIS 5 HN HIS 5 -4.794 6.556 4.264
28 HA HIS 5 HA HIS 5 -5.946 8.349 3.741
29 HB2 HIS 5 HB2 HIS 5 -4.424 7.693 1.698
30 HB3 HIS 5 HB1 HIS 5 -5.978 7.545 0.866
31 HD1 HIS 5 HD1 HIS 5 -6.727 9.724 -0.188
32 HD2 HIS 5 HD2 HIS 5 -4.272 10.203 3.106
33 HE1 HIS 5 HE1 HIS 5 -6.347 12.218 0.014
34 H HIS 6 HN HIS 6 -7.475 5.905 4.312
35 HA HIS 6 HA HIS 6 -9.557 5.166 4.506
36 HB2 HIS 6 HB2 HIS 6 -10.326 7.807 3.246
37 HB3 HIS 6 HB1 HIS 6 -11.519 6.631 3.783
38 HD1 HIS 6 HD1 HIS 6 -11.734 9.279 5.155
39 HD2 HIS 6 HD2 HIS 6 -9.132 6.321 6.494
40 HE1 HIS 6 HE1 HIS 6 -11.321 9.758 7.583
41 H SER 7 HN SER 7 -7.996 5.349 1.808
42 HA SER 7 HA SER 7 -9.967 3.989 0.162
43 HB2 SER 7 HB2 SER 7 -7.221 5.071 -0.532
44 HB3 SER 7 HB1 SER 7 -8.468 4.538 -1.664
45 HG SER 7 HG SER 7 -9.462 6.394 -0.002
46 H CYS 8 HN CYS 8 -8.345 2.227 -1.205
47 HA CYS 8 HA CYS 8 -6.366 1.195 0.557
48 HB2 CYS 8 HB2 CYS 8 -8.521 0.274 1.477
49 HB3 CYS 8 HB1 CYS 8 -8.710 -0.551 -0.083
50 H VAL 9 HN VAL 9 -4.958 0.136 -0.400
51 HA VAL 9 HA VAL 9 -5.262 -0.097 -3.272
52 HB VAL 9 HB VAL 9 -2.785 -0.395 -3.421
53 HG11 VAL 9 HG11 VAL 9 -3.698 2.115 -2.037
54 HG12 VAL 9 HG12 VAL 9 -3.669 1.824 -3.794
55 HG13 VAL 9 3HG1 VAL 9 -2.160 1.919 -2.867
56 HG21 VAL 9 HG21 VAL 9 -1.331 0.251 -1.620
57 HG22 VAL 9 HG22 VAL 9 -2.271 -1.160 -1.123
58 HG23 VAL 9 HG23 VAL 9 -2.688 0.476 -0.541
59 HA PRO 10 HA PRO 10 -5.950 -4.390 -3.006
60 HB2 PRO 10 HB2 PRO 10 -5.232 -5.087 -5.546
61 HB3 PRO 10 HB1 PRO 10 -6.758 -4.298 -5.138
62 HG2 PRO 10 HG2 PRO 10 -4.239 -3.111 -6.217
63 HG3 PRO 10 HG1 PRO 10 -5.920 -2.768 -6.662
64 HD2 PRO 10 HD2 PRO 10 -4.495 -1.155 -5.047
65 HD3 PRO 10 HD1 PRO 10 -6.242 -1.370 -4.842
66 H SER 11 HN SER 11 -4.896 -6.503 -3.308
67 HA SER 11 HA SER 11 -2.234 -6.423 -2.341
68 HB2 SER 11 HB2 SER 11 -3.629 -8.878 -3.413
69 HB3 SER 11 HB1 SER 11 -2.465 -8.706 -2.086
70 HG SER 11 HG SER 11 -4.554 -9.030 -1.362
71 H GLY 12 HN GLY 12 -0.400 -6.578 -3.522
72 HA2 GLY 12 HA2 GLY 12 0.736 -7.379 -5.521
73 HA3 GLY 12 HA1 GLY 12 -0.750 -7.061 -6.398
74 H THR 13 HN THR 13 -0.780 -4.587 -4.483
75 HA THR 13 HA THR 13 0.219 -2.822 -6.483
76 HB THR 13 HB THR 13 -0.753 -2.212 -3.713
77 HG1 THR 13 HG1 THR 13 -2.482 -3.033 -4.646
78 HG21 THR 13 HG21 THR 13 -1.290 0.053 -4.583
79 HG22 THR 13 HG22 THR 13 -0.601 -0.394 -6.137
80 HG23 THR 13 HG23 THR 13 0.429 -0.305 -4.711
81 H CYS 14 HN CYS 14 1.729 -1.343 -6.207
82 HA CYS 14 HA CYS 14 3.646 -1.328 -4.044
83 HB2 CYS 14 HB2 CYS 14 4.475 -1.720 -6.955
84 HB3 CYS 14 HB1 CYS 14 5.566 -1.357 -5.637
85 H ALA 15 HN ALA 15 4.034 0.778 -3.653
86 HA ALA 15 HA ALA 15 3.784 2.727 -5.770
87 HB1 ALA 15 HB1 ALA 15 1.442 2.306 -5.235
88 HB2 ALA 15 HB2 ALA 15 1.922 3.936 -4.743
89 HB3 ALA 15 HB3 ALA 15 1.771 2.655 -3.537
90 H ASP 16 HN ASP 16 4.102 4.920 -4.951
91 HA ASP 16 HA ASP 16 6.050 4.955 -2.791
92 HB2 ASP 16 HB2 ASP 16 6.757 6.057 -4.803
93 HB3 ASP 16 HB1 ASP 16 5.272 6.993 -4.882
94 H PHE 17 HN PHE 17 5.388 5.306 -0.844
95 HA PHE 17 HA PHE 17 3.147 7.126 -0.341
96 HB2 PHE 17 HB2 PHE 17 4.183 4.797 1.314
97 HB3 PHE 17 HB1 PHE 17 2.880 5.819 1.811
98 HD1 PHE 17 HD1 PHE 17 3.840 3.139 -0.481
99 HD2 PHE 17 HD2 PHE 17 0.650 5.670 0.768
100 HE1 PHE 17 HE1 PHE 17 2.275 1.766 -1.672
101 HE2 PHE 17 HE2 PHE 17 -0.924 4.268 -0.435
102 HZ PHE 17 HZ PHE 17 -0.131 2.311 -1.672
103 HA PRO 18 HA PRO 18 5.990 9.692 1.935
104 HB2 PRO 18 HB2 PRO 18 4.223 9.734 4.298
105 HB3 PRO 18 HB1 PRO 18 4.704 11.065 3.243
106 HG2 PRO 18 HG2 PRO 18 2.208 10.083 3.191
107 HG3 PRO 18 HG1 PRO 18 3.019 10.649 1.720
108 HD2 PRO 18 HD2 PRO 18 2.627 7.837 2.692
109 HD3 PRO 18 HD1 PRO 18 2.452 8.510 1.057
110 H TRP 19 HN TRP 19 7.374 9.792 3.800
111 HA TRP 19 HA TRP 19 8.426 7.389 4.769
112 HB2 TRP 19 HB2 TRP 19 9.556 9.649 4.718
113 HB3 TRP 19 HB1 TRP 19 8.546 10.121 6.075
114 HD1 TRP 19 HD1 TRP 19 11.578 7.976 5.198
115 HE1 TRP 19 HE1 TRP 19 12.773 7.310 7.359
116 HE3 TRP 19 3HE TRP 19 8.156 9.685 8.482
117 HZ2 TRP 19 HZ2 TRP 19 12.314 7.511 10.164
118 HZ3 TRP 19 HZ3 TRP 19 8.576 9.435 10.930
119 HH2 TRP 19 2HH TRP 19 10.620 8.361 11.736
120 HA PRO 20 HA PRO 20 9.249 6.342 6.311
121 HB2 PRO 20 HB2 PRO 20 9.065 4.261 7.988
122 HB3 PRO 20 HB1 PRO 20 9.452 5.892 8.544
123 HG2 PRO 20 HG2 PRO 20 6.992 4.333 8.936
124 HG3 PRO 20 HG1 PRO 20 7.575 5.754 9.813
125 HD2 PRO 20 HD2 PRO 20 5.630 5.616 7.656
126 HD3 PRO 20 HD1 PRO 20 6.068 7.003 8.672
127 H LEU 21 HN LEU 21 6.476 5.677 4.936
128 HA LEU 21 HA LEU 21 6.666 2.856 4.554
129 HB2 LEU 21 HB2 LEU 21 5.027 5.032 3.286
130 HB3 LEU 21 HB1 LEU 21 4.902 3.351 2.812
131 HG LEU 21 HG LEU 21 4.364 4.289 5.639
132 HD11 LEU 21 HD11 LEU 21 1.997 4.160 5.062
133 HD12 LEU 21 HD12 LEU 21 2.419 3.808 3.386
134 HD13 LEU 21 HD13 LEU 21 2.803 5.388 4.081
135 HD21 LEU 21 HD21 LEU 21 3.196 2.168 5.787
136 HD22 LEU 21 HD22 LEU 21 4.884 1.905 5.315
137 HD23 LEU 21 HD23 LEU 21 3.594 1.838 4.103
138 H GLY 22 HN GLY 22 7.093 5.714 2.458
139 HA2 GLY 22 HA2 GLY 22 8.443 6.004 0.607
140 HA3 GLY 22 HA1 GLY 22 9.336 4.561 1.099
141 H HIS 23 HN HIS 23 9.382 3.665 -1.021
142 HA HIS 23 HA HIS 23 6.838 3.142 -2.275
143 HB2 HIS 23 HB2 HIS 23 8.910 3.586 -3.674
144 HB3 HIS 23 HB1 HIS 23 9.577 2.078 -3.066
145 HD1 HIS 23 HD1 HIS 23 7.411 3.437 -5.758
146 HD2 HIS 23 HD2 HIS 23 8.148 -0.185 -3.898
147 HE1 HIS 23 HE1 HIS 23 6.425 1.685 -7.261
148 H GLN 24 HN GLN 24 5.620 1.599 -1.644
149 HA GLN 24 HA GLN 24 6.802 -0.695 -0.232
150 HB2 GLN 24 HB2 GLN 24 4.275 0.821 0.307
151 HB3 GLN 24 HB1 GLN 24 4.619 -0.746 1.016
152 HG2 GLN 24 HG2 GLN 24 6.451 1.606 1.344
153 HG3 GLN 24 HG1 GLN 24 5.099 1.272 2.430
154 HE21 GLN 24 1HE2 GLN 24 5.230 -0.394 3.781
155 HE22 GLN 24 2HE2 GLN 24 6.674 -1.278 4.076
156 H CYS 25 HN CYS 25 6.057 -2.688 -0.731
157 HA CYS 25 HA CYS 25 3.954 -2.925 -2.750
158 HB2 CYS 25 HB2 CYS 25 6.265 -4.757 -2.079
159 HB3 CYS 25 HB1 CYS 25 4.925 -5.252 -3.106
160 H PHE 26 HN PHE 26 2.277 -4.417 -2.363
161 HA PHE 26 HA PHE 26 2.067 -5.198 0.487
162 HB2 PHE 26 HB2 PHE 26 -0.165 -4.108 -1.197
163 HB3 PHE 26 HB1 PHE 26 -0.207 -4.433 0.526
164 HD1 PHE 26 HD1 PHE 26 0.155 -1.980 -1.905
165 HD2 PHE 26 HD2 PHE 26 1.666 -3.155 1.900
166 HE1 PHE 26 HE1 PHE 26 0.915 0.256 -1.527
167 HE2 PHE 26 HE2 PHE 26 2.424 -0.846 2.289
168 HZ PHE 26 HZ PHE 26 2.035 0.866 0.527
169 HA PRO 27 HA PRO 27 1.144 -9.086 -1.755
170 HB2 PRO 27 HB2 PRO 27 1.455 -10.209 0.956
171 HB3 PRO 27 HB1 PRO 27 2.290 -10.647 -0.537
172 HG2 PRO 27 HG2 PRO 27 3.554 -9.321 1.414
173 HG3 PRO 27 HG1 PRO 27 3.876 -8.975 -0.295
174 HD2 PRO 27 HD2 PRO 27 2.181 -7.462 1.657
175 HD3 PRO 27 HD1 PRO 27 3.334 -6.850 0.449
176 H ASP 28 HN ASP 28 -0.344 -7.672 1.024
177 HA ASP 28 HA ASP 28 -2.786 -9.213 0.437
178 HB2 ASP 28 HB2 ASP 28 -3.431 -9.335 2.758
179 HB3 ASP 28 HB1 ASP 28 -1.774 -9.899 2.659
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 -1.491 -6.511 -0.267
2 HA2 GLY 1 HA2 GLY 1 -2.511 -4.494 -0.713
3 HA3 GLY 1 HA1 GLY 1 -4.008 -5.164 -0.101
4 H PHE 2 HN PHE 2 -3.597 -2.625 0.456
5 HA PHE 2 HA PHE 2 -3.367 -2.596 3.346
6 HB2 PHE 2 HB2 PHE 2 -1.051 -2.271 2.738
7 HB3 PHE 2 HB1 PHE 2 -1.487 -1.051 1.561
8 HD1 PHE 2 HD1 PHE 2 -1.187 1.111 2.117
9 HD2 PHE 2 HD2 PHE 2 -1.816 -1.722 5.205
10 HE1 PHE 2 HE1 PHE 2 -0.823 2.870 3.761
11 HE2 PHE 2 HE2 PHE 2 -1.457 0.038 6.903
12 HZ PHE 2 HZ PHE 2 -0.957 2.343 6.185
13 H CYS 3 HN CYS 3 -4.772 -1.042 4.192
14 HA CYS 3 HA CYS 3 -6.049 0.573 2.189
15 HB2 CYS 3 HB2 CYS 3 -7.119 -0.376 4.850
16 HB3 CYS 3 HB1 CYS 3 -7.991 0.639 3.708
17 H TRP 4 HN TRP 4 -5.949 2.604 2.310
18 HA TRP 4 HA TRP 4 -4.915 3.987 4.646
19 HB2 TRP 4 HB2 TRP 4 -2.856 3.435 3.714
20 HB3 TRP 4 HB1 TRP 4 -3.443 3.583 2.064
21 HD1 TRP 4 HD1 TRP 4 -2.427 5.798 5.039
22 HE1 TRP 4 HE1 TRP 4 -1.737 8.072 4.110
23 HE3 TRP 4 3HE TRP 4 -3.500 4.961 0.154
24 HZ2 TRP 4 HZ2 TRP 4 -1.674 9.312 1.675
25 HZ3 TRP 4 HZ3 TRP 4 -3.087 6.699 -1.467
26 HH2 TRP 4 2HH TRP 4 -2.170 8.900 -0.762
27 H HIS 5 HN HIS 5 -5.148 6.319 4.529
28 HA HIS 5 HA HIS 5 -6.852 7.806 4.528
29 HB2 HIS 5 HB2 HIS 5 -5.191 8.122 2.108
30 HB3 HIS 5 HB1 HIS 5 -6.555 9.229 2.328
31 HD1 HIS 5 HD1 HIS 5 -3.770 10.467 2.404
32 HD2 HIS 5 HD2 HIS 5 -5.646 8.924 5.775
33 HE1 HIS 5 HE1 HIS 5 -2.706 11.601 4.382
34 H HIS 6 HN HIS 6 -8.426 5.968 4.432
35 HA HIS 6 HA HIS 6 -10.551 5.402 4.024
36 HB2 HIS 6 HB2 HIS 6 -10.669 8.037 2.541
37 HB3 HIS 6 HB1 HIS 6 -12.070 7.025 2.853
38 HD1 HIS 6 HD1 HIS 6 -11.736 9.966 3.984
39 HD2 HIS 6 HD2 HIS 6 -10.954 6.456 6.061
40 HE1 HIS 6 HE1 HIS 6 -12.028 10.519 6.414
41 H SER 7 HN SER 7 -8.312 5.100 1.910
42 HA SER 7 HA SER 7 -10.013 3.981 -0.190
43 HB2 SER 7 HB2 SER 7 -7.223 5.112 -0.503
44 HB3 SER 7 HB1 SER 7 -8.378 4.706 -1.778
45 HG SER 7 HG SER 7 -8.691 6.718 0.183
46 H CYS 8 HN CYS 8 -8.141 2.395 -1.406
47 HA CYS 8 HA CYS 8 -6.380 1.264 0.516
48 HB2 CYS 8 HB2 CYS 8 -8.695 0.311 1.054
49 HB3 CYS 8 HB1 CYS 8 -8.606 -0.430 -0.546
50 H VAL 9 HN VAL 9 -4.931 -0.015 -0.375
51 HA VAL 9 HA VAL 9 -5.002 -0.104 -3.266
52 HB VAL 9 HB VAL 9 -2.501 -0.365 -3.210
53 HG11 VAL 9 HG11 VAL 9 -3.578 2.153 -1.957
54 HG12 VAL 9 HG12 VAL 9 -3.415 1.838 -3.702
55 HG13 VAL 9 3HG1 VAL 9 -1.978 1.983 -2.665
56 HG21 VAL 9 HG21 VAL 9 -2.733 0.493 -0.333
57 HG22 VAL 9 HG22 VAL 9 -1.257 0.417 -1.279
58 HG23 VAL 9 HG23 VAL 9 -2.130 -1.077 -0.915
59 HA PRO 10 HA PRO 10 -5.688 -4.360 -2.722
60 HB2 PRO 10 HB2 PRO 10 -5.392 -5.148 -5.297
61 HB3 PRO 10 HB1 PRO 10 -6.807 -4.269 -4.705
62 HG2 PRO 10 HG2 PRO 10 -4.452 -3.273 -6.231
63 HG3 PRO 10 HG1 PRO 10 -6.155 -2.806 -6.366
64 HD2 PRO 10 HD2 PRO 10 -4.247 -1.349 -5.036
65 HD3 PRO 10 HD1 PRO 10 -5.976 -1.266 -4.670
66 H SER 11 HN SER 11 -4.772 -6.507 -3.177
67 HA SER 11 HA SER 11 -2.063 -6.649 -2.454
68 HB2 SER 11 HB2 SER 11 -3.631 -8.914 -3.697
69 HB3 SER 11 HB1 SER 11 -2.377 -8.929 -2.438
70 HG SER 11 HG SER 11 -4.360 -9.258 -1.535
71 H GLY 12 HN GLY 12 -0.308 -6.670 -3.734
72 HA2 GLY 12 HA2 GLY 12 0.843 -7.354 -5.745
73 HA3 GLY 12 HA1 GLY 12 -0.675 -7.156 -6.618
74 H THR 13 HN THR 13 -0.752 -4.665 -4.649
75 HA THR 13 HA THR 13 0.368 -2.881 -6.606
76 HB THR 13 HB THR 13 -1.238 -2.445 -4.124
77 HG1 THR 13 HG1 THR 13 -1.855 -3.085 -6.655
78 HG21 THR 13 HG21 THR 13 -0.406 -0.392 -6.183
79 HG22 THR 13 HG22 THR 13 0.014 -0.413 -4.461
80 HG23 THR 13 HG23 THR 13 -1.646 -0.115 -4.962
81 H CYS 14 HN CYS 14 1.640 -1.248 -6.020
82 HA CYS 14 HA CYS 14 3.320 -1.281 -3.672
83 HB2 CYS 14 HB2 CYS 14 4.429 -1.436 -6.502
84 HB3 CYS 14 HB1 CYS 14 5.375 -1.123 -5.061
85 H ALA 15 HN ALA 15 3.552 0.835 -3.153
86 HA ALA 15 HA ALA 15 3.298 2.795 -5.289
87 HB1 ALA 15 HB1 ALA 15 1.537 4.054 -4.173
88 HB2 ALA 15 HB2 ALA 15 1.463 2.845 -2.894
89 HB3 ALA 15 HB3 ALA 15 0.994 2.416 -4.539
90 H ASP 16 HN ASP 16 3.836 4.930 -4.637
91 HA ASP 16 HA ASP 16 5.958 4.961 -2.666
92 HB2 ASP 16 HB2 ASP 16 6.383 6.005 -4.829
93 HB3 ASP 16 HB1 ASP 16 4.993 7.057 -4.613
94 H PHE 17 HN PHE 17 5.264 5.150 -0.704
95 HA PHE 17 HA PHE 17 3.246 7.149 -0.060
96 HB2 PHE 17 HB2 PHE 17 4.392 4.864 1.588
97 HB3 PHE 17 HB1 PHE 17 3.310 6.045 2.212
98 HD1 PHE 17 HD1 PHE 17 1.000 5.844 2.066
99 HD2 PHE 17 HD2 PHE 17 3.416 3.303 -0.381
100 HE1 PHE 17 HE1 PHE 17 -0.953 4.541 1.450
101 HE2 PHE 17 HE2 PHE 17 1.479 2.048 -0.977
102 HZ PHE 17 HZ PHE 17 -0.736 2.635 -0.082
103 HA PRO 18 HA PRO 18 6.318 9.831 1.721
104 HB2 PRO 18 HB2 PRO 18 4.771 9.946 4.243
105 HB3 PRO 18 HB1 PRO 18 5.205 11.252 3.135
106 HG2 PRO 18 HG2 PRO 18 2.705 10.362 3.263
107 HG3 PRO 18 HG1 PRO 18 3.432 10.817 1.712
108 HD2 PRO 18 HD2 PRO 18 3.032 8.064 2.863
109 HD3 PRO 18 HD1 PRO 18 2.750 8.649 1.212
110 H TRP 19 HN TRP 19 7.890 10.033 3.419
111 HA TRP 19 HA TRP 19 9.035 7.660 4.372
112 HB2 TRP 19 HB2 TRP 19 10.201 9.873 4.017
113 HB3 TRP 19 HB1 TRP 19 9.397 10.469 5.459
114 HD1 TRP 19 HD1 TRP 19 12.262 8.234 4.332
115 HE1 TRP 19 HE1 TRP 19 13.707 7.640 6.374
116 HE3 TRP 19 3HE TRP 19 9.286 10.109 7.962
117 HZ2 TRP 19 HZ2 TRP 19 13.605 7.944 9.173
118 HZ3 TRP 19 HZ3 TRP 19 10.014 9.935 10.337
119 HH2 TRP 19 2HH TRP 19 12.133 8.866 10.915
120 HA PRO 20 HA PRO 20 9.990 6.614 5.803
121 HB2 PRO 20 HB2 PRO 20 10.095 4.739 7.672
122 HB3 PRO 20 HB1 PRO 20 10.498 6.418 8.049
123 HG2 PRO 20 HG2 PRO 20 8.096 4.848 8.788
124 HG3 PRO 20 HG1 PRO 20 8.837 6.226 9.616
125 HD2 PRO 20 HD2 PRO 20 6.593 6.234 7.808
126 HD3 PRO 20 HD1 PRO 20 7.331 7.614 8.642
127 H LEU 21 HN LEU 21 7.107 6.024 4.816
128 HA LEU 21 HA LEU 21 7.031 3.146 4.786
129 HB2 LEU 21 HB2 LEU 21 5.364 5.281 3.474
130 HB3 LEU 21 HB1 LEU 21 5.071 3.567 3.262
131 HG LEU 21 HG LEU 21 4.996 4.911 5.967
132 HD11 LEU 21 HD11 LEU 21 3.297 5.910 4.498
133 HD12 LEU 21 HD12 LEU 21 2.564 4.883 5.730
134 HD13 LEU 21 HD13 LEU 21 2.724 4.296 4.074
135 HD21 LEU 21 HD21 LEU 21 3.900 2.327 4.915
136 HD22 LEU 21 HD22 LEU 21 3.738 2.919 6.571
137 HD23 LEU 21 HD23 LEU 21 5.332 2.476 5.938
138 H GLY 22 HN GLY 22 7.284 5.729 2.347
139 HA2 GLY 22 HA2 GLY 22 8.463 5.814 0.411
140 HA3 GLY 22 HA1 GLY 22 9.380 4.407 0.949
141 H HIS 23 HN HIS 23 9.336 3.298 -0.949
142 HA HIS 23 HA HIS 23 6.831 2.866 -2.310
143 HB2 HIS 23 HB2 HIS 23 9.040 3.123 -3.545
144 HB3 HIS 23 HB1 HIS 23 9.517 1.579 -2.858
145 HD1 HIS 23 HD1 HIS 23 7.854 3.055 -5.760
146 HD2 HIS 23 HD2 HIS 23 7.868 -0.545 -3.742
147 HE1 HIS 23 HE1 HIS 23 6.837 1.399 -7.341
148 H GLN 24 HN GLN 24 5.555 1.708 -1.130
149 HA GLN 24 HA GLN 24 6.491 -0.691 0.263
150 HB2 GLN 24 HB2 GLN 24 3.987 0.949 0.431
151 HB3 GLN 24 HB1 GLN 24 4.190 -0.581 1.267
152 HG2 GLN 24 HG2 GLN 24 6.003 1.785 1.656
153 HG3 GLN 24 HG1 GLN 24 4.588 1.431 2.658
154 HE21 GLN 24 1HE2 GLN 24 4.640 -0.329 3.986
155 HE22 GLN 24 2HE2 GLN 24 6.116 -1.102 4.398
156 H CYS 25 HN CYS 25 5.942 -2.673 -0.410
157 HA CYS 25 HA CYS 25 3.962 -2.902 -2.522
158 HB2 CYS 25 HB2 CYS 25 6.342 -4.614 -1.814
159 HB3 CYS 25 HB1 CYS 25 5.047 -5.206 -2.852
160 H PHE 26 HN PHE 26 2.305 -4.407 -2.313
161 HA PHE 26 HA PHE 26 1.956 -5.339 0.451
162 HB2 PHE 26 HB2 PHE 26 -0.227 -4.160 -1.258
163 HB3 PHE 26 HB1 PHE 26 -0.319 -4.590 0.443
164 HD1 PHE 26 HD1 PHE 26 0.264 -2.011 -1.888
165 HD2 PHE 26 HD2 PHE 26 1.291 -3.351 2.025
166 HE1 PHE 26 HE1 PHE 26 0.951 0.214 -1.320
167 HE2 PHE 26 HE2 PHE 26 1.969 -1.064 2.610
168 HZ PHE 26 HZ PHE 26 1.796 0.725 0.918
169 HA PRO 27 HA PRO 27 1.229 -9.131 -2.076
170 HB2 PRO 27 HB2 PRO 27 1.488 -10.308 0.624
171 HB3 PRO 27 HB1 PRO 27 2.322 -10.743 -0.870
172 HG2 PRO 27 HG2 PRO 27 3.612 -9.472 1.077
173 HG3 PRO 27 HG1 PRO 27 3.905 -9.074 -0.626
174 HD2 PRO 27 HD2 PRO 27 2.262 -7.628 1.402
175 HD3 PRO 27 HD1 PRO 27 3.385 -6.971 0.190
176 H ASP 28 HN ASP 28 -0.298 -7.824 0.691
177 HA ASP 28 HA ASP 28 -2.749 -9.318 0.088
178 HB2 ASP 28 HB2 ASP 28 -3.281 -9.558 2.456
179 HB3 ASP 28 HB1 ASP 28 -1.712 -10.277 2.134
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 -1.623 -6.438 0.010
2 HA2 GLY 1 HA2 GLY 1 -2.795 -4.540 -0.636
3 HA3 GLY 1 HA1 GLY 1 -4.232 -5.195 0.135
4 H PHE 2 HN PHE 2 -3.450 -2.532 0.352
5 HA PHE 2 HA PHE 2 -3.078 -2.359 3.251
6 HB2 PHE 2 HB2 PHE 2 -0.847 -2.032 2.336
7 HB3 PHE 2 HB1 PHE 2 -1.451 -0.826 1.217
8 HD1 PHE 2 HD1 PHE 2 -1.627 -1.416 4.897
9 HD2 PHE 2 HD2 PHE 2 -0.819 1.305 1.735
10 HE1 PHE 2 HE1 PHE 2 -1.087 0.315 6.528
11 HE2 PHE 2 HE2 PHE 2 -0.270 3.048 3.363
12 HZ PHE 2 HZ PHE 2 -0.399 2.561 5.773
13 H CYS 3 HN CYS 3 -4.575 -1.006 4.110
14 HA CYS 3 HA CYS 3 -6.011 0.598 2.193
15 HB2 CYS 3 HB2 CYS 3 -6.943 -0.434 4.882
16 HB3 CYS 3 HB1 CYS 3 -7.890 0.549 3.772
17 H TRP 4 HN TRP 4 -5.813 2.601 2.244
18 HA TRP 4 HA TRP 4 -4.968 4.095 4.570
19 HB2 TRP 4 HB2 TRP 4 -2.823 3.387 3.874
20 HB3 TRP 4 HB1 TRP 4 -3.236 3.515 2.173
21 HD1 TRP 4 HD1 TRP 4 -2.240 5.684 5.164
22 HE1 TRP 4 HE1 TRP 4 -1.398 7.940 4.261
23 HE3 TRP 4 3HE TRP 4 -3.310 4.988 0.257
24 HZ2 TRP 4 HZ2 TRP 4 -1.230 9.231 1.798
25 HZ3 TRP 4 HZ3 TRP 4 -2.790 6.725 -1.337
26 HH2 TRP 4 2HH TRP 4 -1.755 8.858 -0.599
27 H HIS 5 HN HIS 5 -5.112 6.482 4.169
28 HA HIS 5 HA HIS 5 -6.165 8.291 3.532
29 HB2 HIS 5 HB2 HIS 5 -4.548 7.606 1.600
30 HB3 HIS 5 HB1 HIS 5 -6.048 7.409 0.687
31 HD1 HIS 5 HD1 HIS 5 -6.509 9.510 -0.611
32 HD2 HIS 5 HD2 HIS 5 -4.749 10.163 3.064
33 HE1 HIS 5 HE1 HIS 5 -6.238 12.020 -0.436
34 H HIS 6 HN HIS 6 -7.790 5.913 4.038
35 HA HIS 6 HA HIS 6 -9.947 5.337 4.153
36 HB2 HIS 6 HB2 HIS 6 -10.540 7.899 2.623
37 HB3 HIS 6 HB1 HIS 6 -11.761 6.867 3.354
38 HD1 HIS 6 HD1 HIS 6 -12.241 7.260 5.862
39 HD2 HIS 6 HD2 HIS 6 -8.878 9.283 4.493
40 HE1 HIS 6 HE1 HIS 6 -11.565 8.817 7.709
41 H SER 7 HN SER 7 -8.168 5.180 1.586
42 HA SER 7 HA SER 7 -10.150 3.745 -0.025
43 HB2 SER 7 HB2 SER 7 -7.511 5.009 -0.862
44 HB3 SER 7 HB1 SER 7 -8.643 4.193 -1.936
45 HG SER 7 HG SER 7 -10.125 5.921 -0.852
46 H CYS 8 HN CYS 8 -8.290 2.131 -1.428
47 HA CYS 8 HA CYS 8 -6.395 1.150 0.470
48 HB2 CYS 8 HB2 CYS 8 -8.673 0.075 1.033
49 HB3 CYS 8 HB1 CYS 8 -8.525 -0.720 -0.534
50 H VAL 9 HN VAL 9 -4.896 -0.099 -0.442
51 HA VAL 9 HA VAL 9 -5.003 -0.134 -3.338
52 HB VAL 9 HB VAL 9 -2.485 -0.310 -3.345
53 HG11 VAL 9 HG11 VAL 9 -2.037 2.023 -2.763
54 HG12 VAL 9 HG12 VAL 9 -3.642 2.125 -2.027
55 HG13 VAL 9 3HG1 VAL 9 -3.476 1.831 -3.769
56 HG21 VAL 9 HG21 VAL 9 -2.125 -1.104 -1.048
57 HG22 VAL 9 HG22 VAL 9 -2.655 0.493 -0.450
58 HG23 VAL 9 HG23 VAL 9 -1.208 0.352 -1.432
59 HA PRO 10 HA PRO 10 -5.783 -4.429 -3.104
60 HB2 PRO 10 HB2 PRO 10 -4.445 -4.629 -5.704
61 HB3 PRO 10 HB1 PRO 10 -6.108 -5.002 -5.274
62 HG2 PRO 10 HG2 PRO 10 -5.314 -2.823 -6.702
63 HG3 PRO 10 HG1 PRO 10 -6.825 -2.911 -5.787
64 HD2 PRO 10 HD2 PRO 10 -4.377 -1.396 -5.255
65 HD3 PRO 10 HD1 PRO 10 -6.018 -1.175 -4.618
66 H SER 11 HN SER 11 -4.732 -6.534 -3.239
67 HA SER 11 HA SER 11 -2.086 -6.511 -2.275
68 HB2 SER 11 HB2 SER 11 -2.421 -9.025 -2.556
69 HB3 SER 11 HB1 SER 11 -3.510 -8.197 -1.453
70 HG SER 11 HG SER 11 -4.509 -9.669 -3.005
71 H GLY 12 HN GLY 12 -0.257 -6.659 -3.415
72 HA2 GLY 12 HA2 GLY 12 1.029 -7.407 -5.278
73 HA3 GLY 12 HA1 GLY 12 -0.443 -7.415 -6.242
74 H THR 13 HN THR 13 -0.583 -4.731 -4.409
75 HA THR 13 HA THR 13 0.203 -3.065 -6.626
76 HB THR 13 HB THR 13 -1.029 -2.321 -3.982
77 HG1 THR 13 HG1 THR 13 -2.527 -3.451 -4.880
78 HG21 THR 13 HG21 THR 13 -0.864 -0.768 -6.581
79 HG22 THR 13 HG22 THR 13 -0.098 -0.351 -5.036
80 HG23 THR 13 HG23 THR 13 -1.848 -0.303 -5.195
81 H CYS 14 HN CYS 14 1.520 -1.260 -6.262
82 HA CYS 14 HA CYS 14 3.315 -1.212 -3.983
83 HB2 CYS 14 HB2 CYS 14 4.264 -1.173 -6.879
84 HB3 CYS 14 HB1 CYS 14 5.271 -0.898 -5.473
85 H ALA 15 HN ALA 15 3.535 0.880 -3.343
86 HA ALA 15 HA ALA 15 2.988 3.014 -5.236
87 HB1 ALA 15 HB1 ALA 15 1.241 4.005 -3.857
88 HB2 ALA 15 HB2 ALA 15 1.330 2.642 -2.745
89 HB3 ALA 15 HB3 ALA 15 0.766 2.394 -4.397
90 H ASP 16 HN ASP 16 3.676 5.122 -4.430
91 HA ASP 16 HA ASP 16 5.608 4.839 -2.348
92 HB2 ASP 16 HB2 ASP 16 6.482 6.900 -3.208
93 HB3 ASP 16 HB1 ASP 16 6.423 5.694 -4.488
94 H PHE 17 HN PHE 17 5.226 5.414 -0.508
95 HA PHE 17 HA PHE 17 3.186 7.431 0.082
96 HB2 PHE 17 HB2 PHE 17 4.056 4.981 1.607
97 HB3 PHE 17 HB1 PHE 17 2.951 6.110 2.283
98 HD1 PHE 17 HD1 PHE 17 1.319 6.745 -0.170
99 HD2 PHE 17 HD2 PHE 17 2.665 3.027 1.385
100 HE1 PHE 17 HE1 PHE 17 -0.569 5.613 -1.230
101 HE2 PHE 17 HE2 PHE 17 0.775 1.913 0.336
102 HZ PHE 17 HZ PHE 17 -0.844 3.191 -0.983
103 HA PRO 18 HA PRO 18 6.241 9.807 2.240
104 HB2 PRO 18 HB2 PRO 18 4.708 9.641 4.763
105 HB3 PRO 18 HB1 PRO 18 5.192 11.066 3.841
106 HG2 PRO 18 HG2 PRO 18 2.653 10.237 3.879
107 HG3 PRO 18 HG1 PRO 18 3.381 10.926 2.420
108 HD2 PRO 18 HD2 PRO 18 2.809 8.066 3.080
109 HD3 PRO 18 HD1 PRO 18 2.676 8.901 1.531
110 H TRP 19 HN TRP 19 7.820 9.766 3.936
111 HA TRP 19 HA TRP 19 8.924 7.269 4.589
112 HB2 TRP 19 HB2 TRP 19 10.089 9.539 4.461
113 HB3 TRP 19 HB1 TRP 19 9.370 9.903 6.021
114 HD1 TRP 19 HD1 TRP 19 12.107 7.828 4.391
115 HE1 TRP 19 HE1 TRP 19 13.688 6.946 6.204
116 HE3 TRP 19 3HE TRP 19 9.438 9.210 8.449
117 HZ2 TRP 19 HZ2 TRP 19 13.792 6.859 9.032
118 HZ3 TRP 19 HZ3 TRP 19 10.332 8.703 10.718
119 HH2 TRP 19 2HH TRP 19 12.466 7.547 10.987
120 HA PRO 20 HA PRO 20 9.905 6.109 5.970
121 HB2 PRO 20 HB2 PRO 20 9.865 3.955 7.540
122 HB3 PRO 20 HB1 PRO 20 10.363 5.539 8.142
123 HG2 PRO 20 HG2 PRO 20 7.889 4.022 8.684
124 HG3 PRO 20 HG1 PRO 20 8.663 5.288 9.646
125 HD2 PRO 20 HD2 PRO 20 6.446 5.534 7.810
126 HD3 PRO 20 HD1 PRO 20 7.181 6.795 8.818
127 H LEU 21 HN LEU 21 6.937 5.648 4.874
128 HA LEU 21 HA LEU 21 6.988 2.846 4.367
129 HB2 LEU 21 HB2 LEU 21 5.282 5.115 3.366
130 HB3 LEU 21 HB1 LEU 21 5.050 3.446 2.881
131 HG LEU 21 HG LEU 21 4.876 4.338 5.768
132 HD11 LEU 21 HD11 LEU 21 3.173 5.508 4.441
133 HD12 LEU 21 HD12 LEU 21 2.450 4.268 5.471
134 HD13 LEU 21 HD13 LEU 21 2.670 3.966 3.746
135 HD21 LEU 21 HD21 LEU 21 3.677 2.248 6.018
136 HD22 LEU 21 HD22 LEU 21 5.287 1.951 5.334
137 HD23 LEU 21 HD23 LEU 21 3.856 1.953 4.291
138 H GLY 22 HN GLY 22 7.270 5.792 2.358
139 HA2 GLY 22 HA2 GLY 22 8.412 6.109 0.377
140 HA3 GLY 22 HA1 GLY 22 9.377 4.690 0.787
141 H HIS 23 HN HIS 23 9.289 3.737 -1.276
142 HA HIS 23 HA HIS 23 6.649 3.175 -2.344
143 HB2 HIS 23 HB2 HIS 23 8.673 3.762 -3.836
144 HB3 HIS 23 HB1 HIS 23 9.281 2.161 -3.444
145 HD1 HIS 23 HD1 HIS 23 6.950 3.943 -5.726
146 HD2 HIS 23 HD2 HIS 23 7.728 0.080 -4.461
147 HE1 HIS 23 HE1 HIS 23 5.736 2.451 -7.327
148 H GLN 24 HN GLN 24 5.577 1.677 -1.414
149 HA GLN 24 HA GLN 24 6.936 -0.722 -0.355
150 HB2 GLN 24 HB2 GLN 24 4.353 0.609 0.369
151 HB3 GLN 24 HB1 GLN 24 4.792 -0.949 1.003
152 HG2 GLN 24 HG2 GLN 24 6.237 1.654 1.447
153 HG3 GLN 24 HG1 GLN 24 5.138 0.875 2.575
154 HE21 GLN 24 1HE2 GLN 24 6.646 0.712 4.170
155 HE22 GLN 24 2HE2 GLN 24 7.997 -0.364 4.097
156 H CYS 25 HN CYS 25 5.911 -2.739 -0.704
157 HA CYS 25 HA CYS 25 3.814 -2.792 -2.735
158 HB2 CYS 25 HB2 CYS 25 6.117 -4.723 -2.328
159 HB3 CYS 25 HB1 CYS 25 4.753 -5.038 -3.397
160 H PHE 26 HN PHE 26 2.155 -4.314 -2.388
161 HA PHE 26 HA PHE 26 1.955 -4.976 0.486
162 HB2 PHE 26 HB2 PHE 26 -0.297 -3.957 -1.239
163 HB3 PHE 26 HB1 PHE 26 -0.276 -4.115 0.517
164 HD1 PHE 26 HD1 PHE 26 1.478 -2.760 1.781
165 HD2 PHE 26 HD2 PHE 26 0.328 -1.947 -2.240
166 HE1 PHE 26 HE1 PHE 26 2.440 -0.513 1.942
167 HE2 PHE 26 HE2 PHE 26 1.289 0.277 -2.070
168 HZ PHE 26 HZ PHE 26 2.356 0.992 0.004
169 HA PRO 27 HA PRO 27 1.214 -8.953 -1.635
170 HB2 PRO 27 HB2 PRO 27 1.513 -9.938 1.135
171 HB3 PRO 27 HB1 PRO 27 2.352 -10.452 -0.331
172 HG2 PRO 27 HG2 PRO 27 3.614 -9.008 1.514
173 HG3 PRO 27 HG1 PRO 27 3.895 -8.723 -0.212
174 HD2 PRO 27 HD2 PRO 27 2.200 -7.171 1.708
175 HD3 PRO 27 HD1 PRO 27 3.308 -6.586 0.447
176 H ASP 28 HN ASP 28 -0.368 -7.621 1.184
177 HA ASP 28 HA ASP 28 -2.730 -9.284 0.560
178 HB2 ASP 28 HB2 ASP 28 -1.961 -8.289 3.322
179 HB3 ASP 28 HB1 ASP 28 -3.410 -9.176 2.916
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 -1.404 -6.472 -0.005
2 HA2 GLY 1 HA2 GLY 1 -2.592 -4.560 -0.638
3 HA3 GLY 1 HA1 GLY 1 -4.068 -5.311 -0.053
4 H PHE 2 HN PHE 2 -3.605 -2.685 0.477
5 HA PHE 2 HA PHE 2 -3.538 -2.685 3.373
6 HB2 PHE 2 HB2 PHE 2 -1.200 -2.404 2.924
7 HB3 PHE 2 HB1 PHE 2 -1.522 -1.210 1.685
8 HD1 PHE 2 HD1 PHE 2 -0.939 0.909 2.225
9 HD2 PHE 2 HD2 PHE 2 -2.310 -1.667 5.319
10 HE1 PHE 2 HE1 PHE 2 -0.575 2.678 3.818
11 HE2 PHE 2 HE2 PHE 2 -1.952 0.122 6.965
12 HZ PHE 2 HZ PHE 2 -1.071 2.309 6.231
13 H CYS 3 HN CYS 3 -5.033 -1.246 4.126
14 HA CYS 3 HA CYS 3 -6.167 0.554 2.180
15 HB2 CYS 3 HB2 CYS 3 -7.367 -0.540 4.737
16 HB3 CYS 3 HB1 CYS 3 -8.177 0.537 3.610
17 H TRP 4 HN TRP 4 -5.973 2.579 2.466
18 HA TRP 4 HA TRP 4 -5.221 3.813 4.967
19 HB2 TRP 4 HB2 TRP 4 -3.064 3.082 4.394
20 HB3 TRP 4 HB1 TRP 4 -3.327 3.347 2.683
21 HD1 TRP 4 HD1 TRP 4 -2.359 5.205 5.885
22 HE1 TRP 4 HE1 TRP 4 -1.344 7.493 5.176
23 HE3 TRP 4 3HE TRP 4 -3.289 4.963 0.904
24 HZ2 TRP 4 HZ2 TRP 4 -1.037 8.936 2.849
25 HZ3 TRP 4 HZ3 TRP 4 -2.612 6.764 -0.540
26 HH2 TRP 4 2HH TRP 4 -1.481 8.778 0.384
27 H HIS 5 HN HIS 5 -5.221 6.211 4.811
28 HA HIS 5 HA HIS 5 -6.385 8.054 4.439
29 HB2 HIS 5 HB2 HIS 5 -4.391 7.857 2.737
30 HB3 HIS 5 HB1 HIS 5 -5.689 7.811 1.552
31 HD1 HIS 5 HD1 HIS 5 -5.846 10.131 0.589
32 HD2 HIS 5 HD2 HIS 5 -5.299 10.055 4.680
33 HE1 HIS 5 HE1 HIS 5 -5.929 12.555 1.325
34 H HIS 6 HN HIS 6 -8.113 5.852 4.349
35 HA HIS 6 HA HIS 6 -10.237 5.272 3.910
36 HB2 HIS 6 HB2 HIS 6 -10.396 8.001 2.619
37 HB3 HIS 6 HB1 HIS 6 -11.774 6.910 2.690
38 HD1 HIS 6 HD1 HIS 6 -13.250 7.351 4.627
39 HD2 HIS 6 HD2 HIS 6 -9.321 8.449 5.376
40 HE1 HIS 6 HE1 HIS 6 -13.235 8.360 6.953
41 H SER 7 HN SER 7 -7.986 5.487 1.631
42 HA SER 7 HA SER 7 -9.629 4.301 -0.477
43 HB2 SER 7 HB2 SER 7 -6.741 5.222 -0.512
44 HB3 SER 7 HB1 SER 7 -7.758 4.845 -1.906
45 HG SER 7 HG SER 7 -9.084 6.604 -0.562
46 H CYS 8 HN CYS 8 -8.007 2.441 -1.580
47 HA CYS 8 HA CYS 8 -6.400 1.224 0.429
48 HB2 CYS 8 HB2 CYS 8 -8.675 0.424 1.003
49 HB3 CYS 8 HB1 CYS 8 -8.761 -0.303 -0.617
50 H VAL 9 HN VAL 9 -4.931 0.104 -0.355
51 HA VAL 9 HA VAL 9 -4.922 -0.141 -3.234
52 HB VAL 9 HB VAL 9 -2.456 -0.355 -3.131
53 HG11 VAL 9 HG11 VAL 9 -1.955 2.000 -2.690
54 HG12 VAL 9 HG12 VAL 9 -3.475 2.185 -1.842
55 HG13 VAL 9 3HG1 VAL 9 -3.472 1.856 -3.590
56 HG21 VAL 9 HG21 VAL 9 -2.704 0.491 -0.243
57 HG22 VAL 9 HG22 VAL 9 -1.219 0.438 -1.183
58 HG23 VAL 9 HG23 VAL 9 -2.081 -1.063 -0.840
59 HA PRO 10 HA PRO 10 -5.684 -4.337 -2.386
60 HB2 PRO 10 HB2 PRO 10 -5.692 -5.245 -4.953
61 HB3 PRO 10 HB1 PRO 10 -7.022 -4.331 -4.236
62 HG2 PRO 10 HG2 PRO 10 -4.911 -3.439 -6.123
63 HG3 PRO 10 HG1 PRO 10 -6.590 -2.899 -5.975
64 HD2 PRO 10 HD2 PRO 10 -4.357 -1.556 -5.012
65 HD3 PRO 10 HD1 PRO 10 -6.009 -1.252 -4.475
66 H SER 11 HN SER 11 -4.821 -6.508 -2.814
67 HA SER 11 HA SER 11 -2.118 -6.658 -2.341
68 HB2 SER 11 HB2 SER 11 -2.608 -9.138 -2.927
69 HB3 SER 11 HB1 SER 11 -3.369 -8.398 -1.523
70 HG SER 11 HG SER 11 -4.581 -9.627 -3.338
71 H GLY 12 HN GLY 12 -0.393 -6.701 -3.570
72 HA2 GLY 12 HA2 GLY 12 0.808 -7.409 -5.517
73 HA3 GLY 12 HA1 GLY 12 -0.681 -7.259 -6.444
74 H THR 13 HN THR 13 -0.705 -4.710 -4.471
75 HA THR 13 HA THR 13 0.200 -2.918 -6.547
76 HB THR 13 HB THR 13 -1.101 -2.384 -3.893
77 HG1 THR 13 HG1 THR 13 -2.604 -3.339 -4.988
78 HG21 THR 13 HG21 THR 13 -0.065 -0.348 -4.621
79 HG22 THR 13 HG22 THR 13 -1.797 -0.191 -4.953
80 HG23 THR 13 HG23 THR 13 -0.671 -0.565 -6.260
81 H CYS 14 HN CYS 14 1.505 -1.173 -6.063
82 HA CYS 14 HA CYS 14 3.372 -1.166 -3.868
83 HB2 CYS 14 HB2 CYS 14 4.250 -1.422 -6.770
84 HB3 CYS 14 HB1 CYS 14 5.311 -1.008 -5.438
85 H ALA 15 HN ALA 15 3.712 0.959 -3.415
86 HA ALA 15 HA ALA 15 3.498 2.923 -5.529
87 HB1 ALA 15 HB1 ALA 15 1.746 4.239 -4.441
88 HB2 ALA 15 HB2 ALA 15 1.574 2.995 -3.202
89 HB3 ALA 15 HB3 ALA 15 1.149 2.636 -4.875
90 H ASP 16 HN ASP 16 4.075 5.065 -4.780
91 HA ASP 16 HA ASP 16 6.098 4.885 -2.698
92 HB2 ASP 16 HB2 ASP 16 6.806 5.817 -4.837
93 HB3 ASP 16 HB1 ASP 16 5.534 7.028 -4.756
94 H PHE 17 HN PHE 17 5.293 5.162 -0.797
95 HA PHE 17 HA PHE 17 3.343 7.280 -0.325
96 HB2 PHE 17 HB2 PHE 17 4.243 4.966 1.412
97 HB3 PHE 17 HB1 PHE 17 3.070 6.117 1.921
98 HD1 PHE 17 HD1 PHE 17 3.614 3.200 -0.200
99 HD2 PHE 17 HD2 PHE 17 0.835 6.235 0.898
100 HE1 PHE 17 HE1 PHE 17 1.857 1.961 -1.228
101 HE2 PHE 17 HE2 PHE 17 -0.958 4.948 -0.144
102 HZ PHE 17 HZ PHE 17 -0.462 2.803 -1.218
103 HA PRO 18 HA PRO 18 6.391 9.756 1.752
104 HB2 PRO 18 HB2 PRO 18 4.638 9.919 4.140
105 HB3 PRO 18 HB1 PRO 18 5.252 11.220 3.115
106 HG2 PRO 18 HG2 PRO 18 2.693 10.507 2.984
107 HG3 PRO 18 HG1 PRO 18 3.594 10.923 1.516
108 HD2 PRO 18 HD2 PRO 18 2.908 8.201 2.594
109 HD3 PRO 18 HD1 PRO 18 2.805 8.816 0.931
110 H TRP 19 HN TRP 19 7.905 9.736 3.448
111 HA TRP 19 HA TRP 19 8.766 7.275 4.480
112 HB2 TRP 19 HB2 TRP 19 10.118 9.396 4.121
113 HB3 TRP 19 HB1 TRP 19 9.358 10.041 5.564
114 HD1 TRP 19 HD1 TRP 19 11.957 7.490 4.437
115 HE1 TRP 19 HE1 TRP 19 13.356 6.786 6.461
116 HE3 TRP 19 3HE TRP 19 9.263 9.783 8.024
117 HZ2 TRP 19 HZ2 TRP 19 13.324 7.183 9.279
118 HZ3 TRP 19 HZ3 TRP 19 9.989 9.606 10.405
119 HH2 TRP 19 2HH TRP 19 11.982 8.320 11.001
120 HA PRO 20 HA PRO 20 9.663 6.288 6.097
121 HB2 PRO 20 HB2 PRO 20 9.422 4.348 7.891
122 HB3 PRO 20 HB1 PRO 20 9.913 5.979 8.361
123 HG2 PRO 20 HG2 PRO 20 7.315 4.603 8.760
124 HG3 PRO 20 HG1 PRO 20 8.090 5.849 9.749
125 HD2 PRO 20 HD2 PRO 20 6.047 6.209 7.782
126 HD3 PRO 20 HD1 PRO 20 6.905 7.469 8.686
127 H LEU 21 HN LEU 21 6.758 5.856 4.887
128 HA LEU 21 HA LEU 21 6.725 3.003 4.613
129 HB2 LEU 21 HB2 LEU 21 5.167 5.228 3.320
130 HB3 LEU 21 HB1 LEU 21 4.939 3.542 2.903
131 HG LEU 21 HG LEU 21 4.501 4.648 5.684
132 HD11 LEU 21 HD11 LEU 21 2.519 4.014 3.499
133 HD12 LEU 21 HD12 LEU 21 2.908 5.640 4.078
134 HD13 LEU 21 HD13 LEU 21 2.114 4.480 5.148
135 HD21 LEU 21 HD21 LEU 21 3.307 2.558 5.991
136 HD22 LEU 21 HD22 LEU 21 4.993 2.255 5.532
137 HD23 LEU 21 HD23 LEU 21 3.695 2.119 4.331
138 H GLY 22 HN GLY 22 7.213 5.748 2.434
139 HA2 GLY 22 HA2 GLY 22 8.495 5.919 0.521
140 HA3 GLY 22 HA1 GLY 22 9.351 4.464 1.038
141 H HIS 23 HN HIS 23 9.314 3.613 -1.084
142 HA HIS 23 HA HIS 23 6.742 3.075 -2.249
143 HB2 HIS 23 HB2 HIS 23 8.721 3.563 -3.716
144 HB3 HIS 23 HB1 HIS 23 9.480 2.096 -3.121
145 HD1 HIS 23 HD1 HIS 23 6.914 3.321 -5.561
146 HD2 HIS 23 HD2 HIS 23 8.390 -0.242 -4.058
147 HE1 HIS 23 HE1 HIS 23 6.050 1.532 -7.077
148 H GLN 24 HN GLN 24 5.604 1.763 -1.197
149 HA GLN 24 HA GLN 24 6.723 -0.670 0.017
150 HB2 GLN 24 HB2 GLN 24 4.187 0.873 0.482
151 HB3 GLN 24 HB1 GLN 24 4.486 -0.709 1.177
152 HG2 GLN 24 HG2 GLN 24 6.342 1.601 1.627
153 HG3 GLN 24 HG1 GLN 24 4.927 1.300 2.638
154 HE21 GLN 24 1HE2 GLN 24 4.926 -0.413 3.981
155 HE22 GLN 24 2HE2 GLN 24 6.352 -1.305 4.346
156 H CYS 25 HN CYS 25 5.874 -2.647 -0.458
157 HA CYS 25 HA CYS 25 3.865 -2.750 -2.564
158 HB2 CYS 25 HB2 CYS 25 6.203 -4.581 -2.031
159 HB3 CYS 25 HB1 CYS 25 4.865 -5.021 -3.090
160 H PHE 26 HN PHE 26 2.187 -4.182 -2.280
161 HA PHE 26 HA PHE 26 1.928 -5.119 0.507
162 HB2 PHE 26 HB2 PHE 26 -0.284 -4.027 -1.212
163 HB3 PHE 26 HB1 PHE 26 -0.338 -4.369 0.513
164 HD1 PHE 26 HD1 PHE 26 1.134 -3.009 2.039
165 HD2 PHE 26 HD2 PHE 26 0.386 -1.960 -2.015
166 HE1 PHE 26 HE1 PHE 26 1.880 -0.709 2.483
167 HE2 PHE 26 HE2 PHE 26 1.112 0.274 -1.593
168 HZ PHE 26 HZ PHE 26 1.869 0.942 0.659
169 HA PRO 27 HA PRO 27 1.324 -8.890 -2.025
170 HB2 PRO 27 HB2 PRO 27 1.594 -10.125 0.642
171 HB3 PRO 27 HB1 PRO 27 2.483 -10.465 -0.845
172 HG2 PRO 27 HG2 PRO 27 3.653 -9.191 1.185
173 HG3 PRO 27 HG1 PRO 27 3.988 -8.740 -0.496
174 HD2 PRO 27 HD2 PRO 27 2.204 -7.409 1.503
175 HD3 PRO 27 HD1 PRO 27 3.338 -6.684 0.338
176 H ASP 28 HN ASP 28 -0.208 -7.850 0.915
177 HA ASP 28 HA ASP 28 -2.556 -9.489 0.289
178 HB2 ASP 28 HB2 ASP 28 -1.538 -10.193 2.377
179 HB3 ASP 28 HB1 ASP 28 -1.493 -8.539 2.962
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 -1.513 -6.516 -0.100
2 HA2 GLY 1 HA2 GLY 1 -2.675 -4.604 -0.738
3 HA3 GLY 1 HA1 GLY 1 -4.070 -5.203 0.146
4 H PHE 2 HN PHE 2 -3.509 -2.534 0.283
5 HA PHE 2 HA PHE 2 -2.956 -2.291 3.127
6 HB2 PHE 2 HB2 PHE 2 -0.760 -2.039 2.179
7 HB3 PHE 2 HB1 PHE 2 -1.351 -0.872 1.017
8 HD1 PHE 2 HD1 PHE 2 -0.677 1.242 1.402
9 HD2 PHE 2 HD2 PHE 2 -1.437 -1.280 4.734
10 HE1 PHE 2 HE1 PHE 2 -0.042 3.052 2.885
11 HE2 PHE 2 HE2 PHE 2 -0.806 0.537 6.257
12 HZ PHE 2 HZ PHE 2 -0.093 2.716 5.345
13 H CYS 3 HN CYS 3 -4.337 -0.887 4.010
14 HA CYS 3 HA CYS 3 -5.783 0.832 2.201
15 HB2 CYS 3 HB2 CYS 3 -6.616 -0.249 4.897
16 HB3 CYS 3 HB1 CYS 3 -7.585 0.809 3.879
17 H TRP 4 HN TRP 4 -5.459 2.817 2.323
18 HA TRP 4 HA TRP 4 -4.285 4.074 4.658
19 HB2 TRP 4 HB2 TRP 4 -2.326 3.446 3.588
20 HB3 TRP 4 HB1 TRP 4 -3.018 3.638 1.989
21 HD1 TRP 4 HD1 TRP 4 -1.565 5.738 4.862
22 HE1 TRP 4 HE1 TRP 4 -0.777 7.956 3.851
23 HE3 TRP 4 3HE TRP 4 -3.269 5.072 0.131
24 HZ2 TRP 4 HZ2 TRP 4 -0.901 9.222 1.446
25 HZ3 TRP 4 HZ3 TRP 4 -2.899 6.783 -1.517
26 HH2 TRP 4 2HH TRP 4 -1.715 8.891 -0.916
27 H HIS 5 HN HIS 5 -4.371 6.440 4.519
28 HA HIS 5 HA HIS 5 -5.937 8.062 4.635
29 HB2 HIS 5 HB2 HIS 5 -4.528 8.045 2.085
30 HB3 HIS 5 HB1 HIS 5 -5.896 9.177 2.169
31 HD1 HIS 5 HD1 HIS 5 -4.588 11.365 2.397
32 HD2 HIS 5 HD2 HIS 5 -3.352 8.448 5.086
33 HE1 HIS 5 HE1 HIS 5 -2.980 12.491 3.956
34 H HIS 6 HN HIS 6 -7.513 6.032 4.722
35 HA HIS 6 HA HIS 6 -9.611 5.311 4.496
36 HB2 HIS 6 HB2 HIS 6 -9.992 8.158 3.638
37 HB3 HIS 6 HB1 HIS 6 -11.349 7.043 3.655
38 HD1 HIS 6 HD1 HIS 6 -12.594 6.986 5.838
39 HD2 HIS 6 HD2 HIS 6 -8.664 8.247 6.293
40 HE1 HIS 6 HE1 HIS 6 -12.332 7.605 8.263
41 H SER 7 HN SER 7 -7.752 5.241 2.147
42 HA SER 7 HA SER 7 -9.721 4.237 0.256
43 HB2 SER 7 HB2 SER 7 -8.526 6.332 -0.547
44 HB3 SER 7 HB1 SER 7 -7.001 5.471 -0.358
45 HG SER 7 HG SER 7 -9.144 4.632 -2.001
46 H CYS 8 HN CYS 8 -7.930 2.725 -1.247
47 HA CYS 8 HA CYS 8 -6.103 1.404 0.481
48 HB2 CYS 8 HB2 CYS 8 -8.420 0.560 1.212
49 HB3 CYS 8 HB1 CYS 8 -8.507 -0.194 -0.379
50 H VAL 9 HN VAL 9 -4.866 -0.040 -0.545
51 HA VAL 9 HA VAL 9 -5.207 -0.122 -3.430
52 HB VAL 9 HB VAL 9 -2.709 -0.476 -3.585
53 HG11 VAL 9 HG11 VAL 9 -3.675 1.719 -4.087
54 HG12 VAL 9 HG12 VAL 9 -2.111 1.880 -3.258
55 HG13 VAL 9 3HG1 VAL 9 -3.609 2.122 -2.360
56 HG21 VAL 9 HG21 VAL 9 -1.267 0.246 -1.838
57 HG22 VAL 9 HG22 VAL 9 -2.279 -1.062 -1.206
58 HG23 VAL 9 HG23 VAL 9 -2.620 0.642 -0.801
59 HA PRO 10 HA PRO 10 -5.835 -4.399 -2.882
60 HB2 PRO 10 HB2 PRO 10 -5.409 -5.264 -5.413
61 HB3 PRO 10 HB1 PRO 10 -6.845 -4.345 -4.946
62 HG2 PRO 10 HG2 PRO 10 -4.333 -3.400 -6.265
63 HG3 PRO 10 HG1 PRO 10 -6.012 -2.998 -6.656
64 HD2 PRO 10 HD2 PRO 10 -4.425 -1.349 -5.223
65 HD3 PRO 10 HD1 PRO 10 -6.172 -1.463 -4.938
66 H SER 11 HN SER 11 -4.821 -6.544 -3.223
67 HA SER 11 HA SER 11 -2.129 -6.475 -2.373
68 HB2 SER 11 HB2 SER 11 -3.666 -8.915 -3.243
69 HB3 SER 11 HB1 SER 11 -2.456 -8.731 -1.957
70 HG SER 11 HG SER 11 -4.340 -8.738 -0.884
71 H GLY 12 HN GLY 12 -0.349 -6.636 -3.619
72 HA2 GLY 12 HA2 GLY 12 0.800 -7.566 -5.556
73 HA3 GLY 12 HA1 GLY 12 -0.694 -7.351 -6.458
74 H THR 13 HN THR 13 -0.725 -4.749 -4.668
75 HA THR 13 HA THR 13 0.258 -3.059 -6.758
76 HB THR 13 HB THR 13 -0.858 -2.408 -4.053
77 HG1 THR 13 HG1 THR 13 -2.505 -3.264 -5.042
78 HG21 THR 13 HG21 THR 13 0.279 -0.459 -4.929
79 HG22 THR 13 HG22 THR 13 -1.459 -0.186 -5.037
80 HG23 THR 13 HG23 THR 13 -0.540 -0.627 -6.479
81 H CYS 14 HN CYS 14 1.708 -1.433 -6.410
82 HA CYS 14 HA CYS 14 3.545 -1.406 -4.169
83 HB2 CYS 14 HB2 CYS 14 4.512 -1.583 -7.051
84 HB3 CYS 14 HB1 CYS 14 5.519 -1.295 -5.653
85 H ALA 15 HN ALA 15 3.835 0.692 -3.678
86 HA ALA 15 HA ALA 15 3.736 2.731 -5.714
87 HB1 ALA 15 HB1 ALA 15 1.847 3.954 -4.719
88 HB2 ALA 15 HB2 ALA 15 1.590 2.624 -3.588
89 HB3 ALA 15 HB3 ALA 15 1.337 2.371 -5.315
90 H ASP 16 HN ASP 16 4.332 4.879 -4.787
91 HA ASP 16 HA ASP 16 5.807 4.534 -2.373
92 HB2 ASP 16 HB2 ASP 16 6.945 6.475 -2.993
93 HB3 ASP 16 HB1 ASP 16 6.913 5.445 -4.411
94 H PHE 17 HN PHE 17 5.205 5.231 -0.619
95 HA PHE 17 HA PHE 17 2.985 7.132 -0.385
96 HB2 PHE 17 HB2 PHE 17 3.918 4.895 1.444
97 HB3 PHE 17 HB1 PHE 17 2.627 5.977 1.856
98 HD1 PHE 17 HD1 PHE 17 3.624 3.256 -0.396
99 HD2 PHE 17 HD2 PHE 17 0.419 5.719 0.913
100 HE1 PHE 17 HE1 PHE 17 2.066 1.839 -1.555
101 HE2 PHE 17 HE2 PHE 17 -1.160 4.274 -0.255
102 HZ PHE 17 HZ PHE 17 -0.351 2.328 -1.504
103 HA PRO 18 HA PRO 18 5.834 9.751 1.797
104 HB2 PRO 18 HB2 PRO 18 4.092 9.961 4.155
105 HB3 PRO 18 HB1 PRO 18 4.590 11.221 3.025
106 HG2 PRO 18 HG2 PRO 18 2.077 10.294 3.056
107 HG3 PRO 18 HG1 PRO 18 2.875 10.757 1.544
108 HD2 PRO 18 HD2 PRO 18 2.442 8.020 2.686
109 HD3 PRO 18 HD1 PRO 18 2.261 8.589 1.013
110 H TRP 19 HN TRP 19 7.222 9.925 3.629
111 HA TRP 19 HA TRP 19 8.228 7.548 4.689
112 HB2 TRP 19 HB2 TRP 19 9.507 9.689 4.513
113 HB3 TRP 19 HB1 TRP 19 8.474 10.383 5.751
114 HD1 TRP 19 HD1 TRP 19 11.498 8.128 5.289
115 HE1 TRP 19 HE1 TRP 19 12.525 7.620 7.599
116 HE3 TRP 19 3HE TRP 19 7.859 10.108 8.190
117 HZ2 TRP 19 HZ2 TRP 19 11.851 8.040 10.323
118 HZ3 TRP 19 HZ3 TRP 19 8.096 10.037 10.662
119 HH2 TRP 19 2HH TRP 19 10.055 9.016 11.692
120 HA PRO 20 HA PRO 20 9.050 6.581 6.280
121 HB2 PRO 20 HB2 PRO 20 8.859 4.590 8.043
122 HB3 PRO 20 HB1 PRO 20 9.267 6.238 8.527
123 HG2 PRO 20 HG2 PRO 20 6.771 4.729 8.972
124 HG3 PRO 20 HG1 PRO 20 7.400 6.139 9.838
125 HD2 PRO 20 HD2 PRO 20 5.421 6.040 7.726
126 HD3 PRO 20 HD1 PRO 20 5.962 7.441 8.669
127 H LEU 21 HN LEU 21 6.151 5.862 5.071
128 HA LEU 21 HA LEU 21 6.291 3.039 4.778
129 HB2 LEU 21 HB2 LEU 21 4.726 5.191 3.389
130 HB3 LEU 21 HB1 LEU 21 4.560 3.490 3.001
131 HG LEU 21 HG LEU 21 4.034 4.576 5.771
132 HD11 LEU 21 HD11 LEU 21 2.526 5.653 4.155
133 HD12 LEU 21 HD12 LEU 21 1.670 4.482 5.167
134 HD13 LEU 21 HD13 LEU 21 2.114 4.062 3.509
135 HD21 LEU 21 HD21 LEU 21 2.790 2.500 5.982
136 HD22 LEU 21 HD22 LEU 21 4.480 2.177 5.564
137 HD23 LEU 21 HD23 LEU 21 3.220 2.086 4.325
138 H GLY 22 HN GLY 22 6.770 5.755 2.529
139 HA2 GLY 22 HA2 GLY 22 8.161 5.940 0.707
140 HA3 GLY 22 HA1 GLY 22 9.035 4.527 1.305
141 H HIS 23 HN HIS 23 9.162 3.623 -0.805
142 HA HIS 23 HA HIS 23 6.645 2.928 -2.098
143 HB2 HIS 23 HB2 HIS 23 8.757 3.548 -3.423
144 HB3 HIS 23 HB1 HIS 23 9.408 2.002 -2.895
145 HD1 HIS 23 HD1 HIS 23 7.316 3.548 -5.499
146 HD2 HIS 23 HD2 HIS 23 7.951 -0.198 -3.883
147 HE1 HIS 23 HE1 HIS 23 6.306 1.926 -7.134
148 H GLN 24 HN GLN 24 5.549 1.294 -1.622
149 HA GLN 24 HA GLN 24 6.830 -1.009 -0.279
150 HB2 GLN 24 HB2 GLN 24 4.111 0.186 0.181
151 HB3 GLN 24 HB1 GLN 24 4.706 -1.284 0.911
152 HG2 GLN 24 HG2 GLN 24 5.928 1.421 1.342
153 HG3 GLN 24 HG1 GLN 24 4.675 0.732 2.367
154 HE21 GLN 24 1HE2 GLN 24 5.839 0.616 4.143
155 HE22 GLN 24 2HE2 GLN 24 7.221 -0.399 4.368
156 H CYS 25 HN CYS 25 6.002 -3.008 -0.879
157 HA CYS 25 HA CYS 25 3.924 -3.035 -2.931
158 HB2 CYS 25 HB2 CYS 25 6.143 -5.018 -2.376
159 HB3 CYS 25 HB1 CYS 25 4.803 -5.326 -3.479
160 H PHE 26 HN PHE 26 2.213 -4.535 -2.625
161 HA PHE 26 HA PHE 26 1.962 -5.203 0.234
162 HB2 PHE 26 HB2 PHE 26 -0.194 -4.152 -1.564
163 HB3 PHE 26 HB1 PHE 26 -0.337 -4.476 0.159
164 HD1 PHE 26 HD1 PHE 26 1.502 -3.273 1.621
165 HD2 PHE 26 HD2 PHE 26 0.196 -2.008 -2.232
166 HE1 PHE 26 HE1 PHE 26 2.291 -1.001 2.084
167 HE2 PHE 26 HE2 PHE 26 0.976 0.211 -1.777
168 HZ PHE 26 HZ PHE 26 2.024 0.748 0.369
169 HA PRO 27 HA PRO 27 1.090 -9.175 -1.865
170 HB2 PRO 27 HB2 PRO 27 1.627 -10.207 0.846
171 HB3 PRO 27 HB1 PRO 27 2.380 -10.653 -0.688
172 HG2 PRO 27 HG2 PRO 27 3.711 -9.240 1.156
173 HG3 PRO 27 HG1 PRO 27 3.931 -8.942 -0.578
174 HD2 PRO 27 HD2 PRO 27 2.310 -7.415 1.421
175 HD3 PRO 27 HD1 PRO 27 3.365 -6.810 0.124
176 H ASP 28 HN ASP 28 -0.139 -7.687 0.980
177 HA ASP 28 HA ASP 28 -2.599 -9.278 0.765
178 HB2 ASP 28 HB2 ASP 28 -2.915 -9.228 3.166
179 HB3 ASP 28 HB1 ASP 28 -1.320 -9.879 2.825
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 -1.471 -6.371 -0.124
2 HA2 GLY 1 HA2 GLY 1 -2.540 -4.416 -0.773
3 HA3 GLY 1 HA1 GLY 1 -3.989 -4.970 0.052
4 H PHE 2 HN PHE 2 -3.535 -2.421 0.342
5 HA PHE 2 HA PHE 2 -2.984 -2.181 3.177
6 HB2 PHE 2 HB2 PHE 2 -0.754 -1.875 2.271
7 HB3 PHE 2 HB1 PHE 2 -1.347 -0.694 1.120
8 HD1 PHE 2 HD1 PHE 2 -0.964 1.509 1.593
9 HD2 PHE 2 HD2 PHE 2 -1.295 -1.254 4.814
10 HE1 PHE 2 HE1 PHE 2 -0.441 3.290 3.147
11 HE2 PHE 2 HE2 PHE 2 -0.776 0.535 6.403
12 HZ PHE 2 HZ PHE 2 -0.336 2.826 5.582
13 H CYS 3 HN CYS 3 -4.373 -0.698 4.052
14 HA CYS 3 HA CYS 3 -5.798 0.908 2.139
15 HB2 CYS 3 HB2 CYS 3 -6.700 -0.063 4.864
16 HB3 CYS 3 HB1 CYS 3 -7.641 0.937 3.767
17 H TRP 4 HN TRP 4 -5.847 2.945 2.379
18 HA TRP 4 HA TRP 4 -4.632 4.346 4.589
19 HB2 TRP 4 HB2 TRP 4 -2.607 3.791 3.597
20 HB3 TRP 4 HB1 TRP 4 -3.277 3.810 1.976
21 HD1 TRP 4 HD1 TRP 4 -1.994 6.174 4.681
22 HE1 TRP 4 HE1 TRP 4 -1.381 8.399 3.534
23 HE3 TRP 4 3HE TRP 4 -3.661 5.102 0.034
24 HZ2 TRP 4 HZ2 TRP 4 -1.627 9.499 1.068
25 HZ3 TRP 4 HZ3 TRP 4 -3.448 6.722 -1.715
26 HH2 TRP 4 2HH TRP 4 -2.433 8.960 -1.265
27 H HIS 5 HN HIS 5 -4.901 6.707 4.366
28 HA HIS 5 HA HIS 5 -6.512 8.297 4.302
29 HB2 HIS 5 HB2 HIS 5 -5.143 8.030 1.749
30 HB3 HIS 5 HB1 HIS 5 -6.552 9.120 1.713
31 HD1 HIS 5 HD1 HIS 5 -5.406 11.389 1.735
32 HD2 HIS 5 HD2 HIS 5 -3.835 8.785 4.553
33 HE1 HIS 5 HE1 HIS 5 -3.733 12.716 3.061
34 H HIS 6 HN HIS 6 -7.861 5.879 4.320
35 HA HIS 6 HA HIS 6 -9.903 5.001 4.168
36 HB2 HIS 6 HB2 HIS 6 -10.682 7.790 3.306
37 HB3 HIS 6 HB1 HIS 6 -11.857 6.499 3.534
38 HD1 HIS 6 HD1 HIS 6 -12.322 5.749 6.010
39 HD2 HIS 6 HD2 HIS 6 -9.608 8.869 5.618
40 HE1 HIS 6 HE1 HIS 6 -12.046 6.726 8.308
41 H SER 7 HN SER 7 -8.066 5.058 1.944
42 HA SER 7 HA SER 7 -9.885 3.974 -0.045
43 HB2 SER 7 HB2 SER 7 -8.833 6.148 -0.799
44 HB3 SER 7 HB1 SER 7 -7.251 5.424 -0.528
45 HG SER 7 HG SER 7 -9.224 4.390 -2.264
46 H CYS 8 HN CYS 8 -8.124 2.443 -1.436
47 HA CYS 8 HA CYS 8 -6.187 1.354 0.370
48 HB2 CYS 8 HB2 CYS 8 -8.464 0.433 1.069
49 HB3 CYS 8 HB1 CYS 8 -8.465 -0.415 -0.481
50 H VAL 9 HN VAL 9 -4.812 0.016 -0.564
51 HA VAL 9 HA VAL 9 -5.035 -0.172 -3.452
52 HB VAL 9 HB VAL 9 -2.528 -0.457 -3.497
53 HG11 VAL 9 HG11 VAL 9 -3.552 2.115 -2.326
54 HG12 VAL 9 HG12 VAL 9 -3.460 1.711 -4.060
55 HG13 VAL 9 3HG1 VAL 9 -1.981 1.896 -3.088
56 HG21 VAL 9 HG21 VAL 9 -2.178 -1.046 -1.123
57 HG22 VAL 9 HG22 VAL 9 -2.601 0.647 -0.710
58 HG23 VAL 9 HG23 VAL 9 -1.187 0.303 -1.686
59 HA PRO 10 HA PRO 10 -5.641 -4.420 -2.748
60 HB2 PRO 10 HB2 PRO 10 -5.249 -5.305 -5.295
61 HB3 PRO 10 HB1 PRO 10 -6.730 -4.521 -4.738
62 HG2 PRO 10 HG2 PRO 10 -4.465 -3.423 -6.317
63 HG3 PRO 10 HG1 PRO 10 -6.192 -3.047 -6.420
64 HD2 PRO 10 HD2 PRO 10 -4.326 -1.456 -5.185
65 HD3 PRO 10 HD1 PRO 10 -6.048 -1.445 -4.783
66 H SER 11 HN SER 11 -4.699 -6.569 -3.078
67 HA SER 11 HA SER 11 -2.025 -6.631 -2.242
68 HB2 SER 11 HB2 SER 11 -3.619 -8.977 -3.279
69 HB3 SER 11 HB1 SER 11 -2.389 -8.904 -1.998
70 HG SER 11 HG SER 11 -4.907 -8.832 -1.587
71 H GLY 12 HN GLY 12 -0.256 -6.627 -3.468
72 HA2 GLY 12 HA2 GLY 12 0.990 -7.547 -5.333
73 HA3 GLY 12 HA1 GLY 12 -0.477 -7.415 -6.297
74 H THR 13 HN THR 13 -0.742 -4.767 -4.622
75 HA THR 13 HA THR 13 0.367 -3.151 -6.693
76 HB THR 13 HB THR 13 -1.148 -2.504 -4.210
77 HG1 THR 13 HG1 THR 13 -1.953 -3.587 -6.368
78 HG21 THR 13 HG21 THR 13 -0.416 -0.622 -6.475
79 HG22 THR 13 HG22 THR 13 0.032 -0.489 -4.762
80 HG23 THR 13 HG23 THR 13 -1.637 -0.264 -5.252
81 H CYS 14 HN CYS 14 1.672 -1.470 -6.306
82 HA CYS 14 HA CYS 14 3.400 -1.367 -3.964
83 HB2 CYS 14 HB2 CYS 14 4.416 -1.439 -6.832
84 HB3 CYS 14 HB1 CYS 14 5.404 -1.170 -5.408
85 H ALA 15 HN ALA 15 3.610 0.749 -3.387
86 HA ALA 15 HA ALA 15 3.285 2.812 -5.384
87 HB1 ALA 15 HB1 ALA 15 1.296 2.595 -3.125
88 HB2 ALA 15 HB2 ALA 15 0.963 2.238 -4.818
89 HB3 ALA 15 HB3 ALA 15 1.374 3.880 -4.330
90 H ASP 16 HN ASP 16 3.741 4.880 -4.628
91 HA ASP 16 HA ASP 16 5.720 4.938 -2.495
92 HB2 ASP 16 HB2 ASP 16 6.283 5.970 -4.623
93 HB3 ASP 16 HB1 ASP 16 4.878 7.026 -4.510
94 H PHE 17 HN PHE 17 5.136 5.351 -0.562
95 HA PHE 17 HA PHE 17 2.970 7.256 -0.001
96 HB2 PHE 17 HB2 PHE 17 3.955 4.857 1.549
97 HB3 PHE 17 HB1 PHE 17 2.779 5.931 2.201
98 HD1 PHE 17 HD1 PHE 17 3.266 3.068 0.144
99 HD2 PHE 17 HD2 PHE 17 0.601 6.295 0.895
100 HE1 PHE 17 HE1 PHE 17 1.500 1.897 -1.021
101 HE2 PHE 17 HE2 PHE 17 -1.180 5.091 -0.261
102 HZ PHE 17 HZ PHE 17 -0.740 2.884 -1.227
103 HA PRO 18 HA PRO 18 5.897 9.737 2.251
104 HB2 PRO 18 HB2 PRO 18 4.325 9.426 4.756
105 HB3 PRO 18 HB1 PRO 18 4.801 10.904 3.915
106 HG2 PRO 18 HG2 PRO 18 2.289 10.068 3.820
107 HG3 PRO 18 HG1 PRO 18 3.070 10.744 2.379
108 HD2 PRO 18 HD2 PRO 18 2.561 7.875 3.077
109 HD3 PRO 18 HD1 PRO 18 2.363 8.687 1.514
110 H TRP 19 HN TRP 19 7.549 9.639 3.837
111 HA TRP 19 HA TRP 19 8.521 7.027 4.412
112 HB2 TRP 19 HB2 TRP 19 9.790 9.324 4.136
113 HB3 TRP 19 HB1 TRP 19 9.428 9.527 5.844
114 HD1 TRP 19 HD1 TRP 19 11.540 7.414 3.456
115 HE1 TRP 19 HE1 TRP 19 13.380 6.227 4.812
116 HE3 TRP 19 3HE TRP 19 10.010 8.657 8.132
117 HZ2 TRP 19 HZ2 TRP 19 14.086 5.866 7.507
118 HZ3 TRP 19 HZ3 TRP 19 11.317 7.852 10.068
119 HH2 TRP 19 2HH TRP 19 13.313 6.483 9.753
120 HA PRO 20 HA PRO 20 9.708 5.956 6.041
121 HB2 PRO 20 HB2 PRO 20 9.527 3.840 7.597
122 HB3 PRO 20 HB1 PRO 20 9.983 5.418 8.255
123 HG2 PRO 20 HG2 PRO 20 7.367 3.988 8.407
124 HG3 PRO 20 HG1 PRO 20 8.180 4.969 9.636
125 HD2 PRO 20 HD2 PRO 20 6.138 5.827 7.923
126 HD3 PRO 20 HD1 PRO 20 7.204 6.874 8.876
127 H LEU 21 HN LEU 21 6.633 5.527 4.975
128 HA LEU 21 HA LEU 21 6.737 2.746 4.407
129 HB2 LEU 21 HB2 LEU 21 5.034 5.002 3.381
130 HB3 LEU 21 HB1 LEU 21 4.833 3.334 2.876
131 HG LEU 21 HG LEU 21 4.557 4.237 5.749
132 HD11 LEU 21 HD11 LEU 21 2.448 3.758 3.651
133 HD12 LEU 21 HD12 LEU 21 2.857 5.327 4.359
134 HD13 LEU 21 HD13 LEU 21 2.142 4.060 5.360
135 HD21 LEU 21 HD21 LEU 21 3.416 2.108 5.988
136 HD22 LEU 21 HD22 LEU 21 5.066 1.862 5.382
137 HD23 LEU 21 HD23 LEU 21 3.682 1.793 4.274
138 H GLY 22 HN GLY 22 7.020 5.700 2.442
139 HA2 GLY 22 HA2 GLY 22 8.169 6.052 0.480
140 HA3 GLY 22 HA1 GLY 22 9.143 4.632 0.874
141 H HIS 23 HN HIS 23 9.038 3.852 -1.266
142 HA HIS 23 HA HIS 23 6.424 3.166 -2.296
143 HB2 HIS 23 HB2 HIS 23 8.300 3.895 -3.827
144 HB3 HIS 23 HB1 HIS 23 9.155 2.425 -3.395
145 HD1 HIS 23 HD1 HIS 23 6.540 3.761 -5.672
146 HD2 HIS 23 HD2 HIS 23 7.984 0.107 -4.369
147 HE1 HIS 23 HE1 HIS 23 5.632 2.059 -7.274
148 H GLN 24 HN GLN 24 5.422 1.621 -1.396
149 HA GLN 24 HA GLN 24 6.891 -0.721 -0.377
150 HB2 GLN 24 HB2 GLN 24 4.237 0.428 0.420
151 HB3 GLN 24 HB1 GLN 24 4.861 -1.094 1.011
152 HG2 GLN 24 HG2 GLN 24 6.175 1.572 1.412
153 HG3 GLN 24 HG1 GLN 24 5.088 0.806 2.564
154 HE21 GLN 24 1HE2 GLN 24 6.566 0.678 4.125
155 HE22 GLN 24 2HE2 GLN 24 7.932 -0.377 4.102
156 H CYS 25 HN CYS 25 6.094 -2.743 -0.827
157 HA CYS 25 HA CYS 25 3.935 -2.951 -2.785
158 HB2 CYS 25 HB2 CYS 25 6.277 -4.779 -2.210
159 HB3 CYS 25 HB1 CYS 25 4.920 -5.228 -3.237
160 H PHE 26 HN PHE 26 2.303 -4.490 -2.380
161 HA PHE 26 HA PHE 26 2.144 -5.220 0.479
162 HB2 PHE 26 HB2 PHE 26 -0.114 -4.158 -1.186
163 HB3 PHE 26 HB1 PHE 26 -0.120 -4.461 0.543
164 HD1 PHE 26 HD1 PHE 26 1.674 -3.141 1.906
165 HD2 PHE 26 HD2 PHE 26 0.272 -2.037 -1.975
166 HE1 PHE 26 HE1 PHE 26 2.426 -0.841 2.267
167 HE2 PHE 26 HE2 PHE 26 1.017 0.188 -1.627
168 HZ PHE 26 HZ PHE 26 2.098 0.834 0.493
169 HA PRO 27 HA PRO 27 1.178 -9.120 -1.730
170 HB2 PRO 27 HB2 PRO 27 1.494 -10.228 0.981
171 HB3 PRO 27 HB1 PRO 27 2.334 -10.663 -0.507
172 HG2 PRO 27 HG2 PRO 27 3.577 -9.340 1.462
173 HG3 PRO 27 HG1 PRO 27 3.934 -9.019 -0.242
174 HD2 PRO 27 HD2 PRO 27 2.240 -7.447 1.664
175 HD3 PRO 27 HD1 PRO 27 3.403 -6.878 0.444
176 H ASP 28 HN ASP 28 -0.246 -7.598 0.984
177 HA ASP 28 HA ASP 28 -2.719 -9.141 0.603
178 HB2 ASP 28 HB2 ASP 28 -3.180 -9.090 2.979
179 HB3 ASP 28 HB1 ASP 28 -1.575 -9.762 2.738
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 -1.797 -6.455 -0.306
2 HA2 GLY 1 HA2 GLY 1 -2.800 -4.453 -0.864
3 HA3 GLY 1 HA1 GLY 1 -4.297 -5.038 -0.159
4 H PHE 2 HN PHE 2 -3.795 -2.485 0.311
5 HA PHE 2 HA PHE 2 -3.372 -2.465 3.173
6 HB2 PHE 2 HB2 PHE 2 -1.100 -2.087 2.398
7 HB3 PHE 2 HB1 PHE 2 -1.641 -0.804 1.333
8 HD1 PHE 2 HD1 PHE 2 -2.013 -1.627 4.969
9 HD2 PHE 2 HD2 PHE 2 -1.021 1.287 2.030
10 HE1 PHE 2 HE1 PHE 2 -1.538 0.010 6.739
11 HE2 PHE 2 HE2 PHE 2 -0.552 2.910 3.779
12 HZ PHE 2 HZ PHE 2 -0.807 2.283 6.152
13 H CYS 3 HN CYS 3 -4.847 -1.174 4.090
14 HA CYS 3 HA CYS 3 -6.288 0.604 2.332
15 HB2 CYS 3 HB2 CYS 3 -7.071 -0.637 4.959
16 HB3 CYS 3 HB1 CYS 3 -8.082 0.452 4.020
17 H TRP 4 HN TRP 4 -6.164 2.587 2.592
18 HA TRP 4 HA TRP 4 -5.274 3.925 4.962
19 HB2 TRP 4 HB2 TRP 4 -3.139 3.163 4.321
20 HB3 TRP 4 HB1 TRP 4 -3.475 3.390 2.614
21 HD1 TRP 4 HD1 TRP 4 -2.619 5.395 5.759
22 HE1 TRP 4 HE1 TRP 4 -1.591 7.641 4.984
23 HE3 TRP 4 3HE TRP 4 -3.290 4.873 0.757
24 HZ2 TRP 4 HZ2 TRP 4 -1.160 8.949 2.608
25 HZ3 TRP 4 HZ3 TRP 4 -2.534 6.624 -0.738
26 HH2 TRP 4 2HH TRP 4 -1.467 8.669 0.149
27 H HIS 5 HN HIS 5 -5.342 6.304 4.650
28 HA HIS 5 HA HIS 5 -6.461 8.125 4.114
29 HB2 HIS 5 HB2 HIS 5 -4.675 7.595 2.223
30 HB3 HIS 5 HB1 HIS 5 -6.122 7.580 1.214
31 HD1 HIS 5 HD1 HIS 5 -6.645 9.856 0.267
32 HD2 HIS 5 HD2 HIS 5 -4.691 10.003 3.910
33 HE1 HIS 5 HE1 HIS 5 -6.311 12.310 0.762
34 H HIS 6 HN HIS 6 -8.101 5.698 4.277
35 HA HIS 6 HA HIS 6 -10.205 5.028 4.101
36 HB2 HIS 6 HB2 HIS 6 -10.665 7.784 2.979
37 HB3 HIS 6 HB1 HIS 6 -11.970 6.609 3.095
38 HD1 HIS 6 HD1 HIS 6 -12.967 6.196 5.416
39 HD2 HIS 6 HD2 HIS 6 -9.668 8.712 5.458
40 HE1 HIS 6 HE1 HIS 6 -12.899 7.216 7.716
41 H SER 7 HN SER 7 -8.225 4.974 1.806
42 HA SER 7 HA SER 7 -10.071 3.674 -0.029
43 HB2 SER 7 HB2 SER 7 -7.487 5.154 -0.620
44 HB3 SER 7 HB1 SER 7 -8.395 4.214 -1.807
45 HG SER 7 HG SER 7 -10.182 5.589 -1.345
46 H CYS 8 HN CYS 8 -8.296 2.100 -1.391
47 HA CYS 8 HA CYS 8 -6.403 1.014 0.475
48 HB2 CYS 8 HB2 CYS 8 -8.753 0.082 1.025
49 HB3 CYS 8 HB1 CYS 8 -8.572 -0.751 -0.528
50 H VAL 9 HN VAL 9 -4.901 0.078 -0.475
51 HA VAL 9 HA VAL 9 -4.966 0.057 -3.364
52 HB VAL 9 HB VAL 9 -2.456 -0.250 -3.301
53 HG11 VAL 9 HG11 VAL 9 -3.355 1.976 -3.599
54 HG12 VAL 9 HG12 VAL 9 -1.920 2.006 -2.546
55 HG13 VAL 9 3HG1 VAL 9 -3.532 2.135 -1.839
56 HG21 VAL 9 HG21 VAL 9 -2.743 0.291 -0.351
57 HG22 VAL 9 HG22 VAL 9 -1.252 0.335 -1.272
58 HG23 VAL 9 HG23 VAL 9 -2.113 -1.196 -1.099
59 HA PRO 10 HA PRO 10 -5.724 -4.249 -3.638
60 HB2 PRO 10 HB2 PRO 10 -4.088 -4.239 -6.087
61 HB3 PRO 10 HB1 PRO 10 -5.781 -4.678 -5.867
62 HG2 PRO 10 HG2 PRO 10 -5.003 -2.386 -7.058
63 HG3 PRO 10 HG1 PRO 10 -6.508 -2.519 -6.131
64 HD2 PRO 10 HD2 PRO 10 -3.941 -1.207 -5.421
65 HD3 PRO 10 HD1 PRO 10 -5.608 -0.812 -4.949
66 H SER 11 HN SER 11 -4.680 -6.336 -3.992
67 HA SER 11 HA SER 11 -2.216 -6.467 -2.523
68 HB2 SER 11 HB2 SER 11 -3.700 -8.780 -3.795
69 HB3 SER 11 HB1 SER 11 -2.594 -8.773 -2.405
70 HG SER 11 HG SER 11 -5.093 -7.463 -2.479
71 H GLY 12 HN GLY 12 -0.311 -6.584 -3.417
72 HA2 GLY 12 HA2 GLY 12 1.232 -7.404 -5.053
73 HA3 GLY 12 HA1 GLY 12 -0.058 -7.321 -6.255
74 H THR 13 HN THR 13 -0.769 -4.710 -4.736
75 HA THR 13 HA THR 13 0.459 -2.975 -6.554
76 HB THR 13 HB THR 13 -1.117 -2.522 -4.073
77 HG1 THR 13 HG1 THR 13 -1.801 -2.653 -6.835
78 HG21 THR 13 HG21 THR 13 -0.055 -0.433 -4.471
79 HG22 THR 13 HG22 THR 13 -1.684 -0.237 -5.137
80 HG23 THR 13 HG23 THR 13 -0.315 -0.542 -6.204
81 H CYS 14 HN CYS 14 1.685 -1.312 -6.067
82 HA CYS 14 HA CYS 14 3.368 -1.223 -3.712
83 HB2 CYS 14 HB2 CYS 14 4.410 -1.209 -6.566
84 HB3 CYS 14 HB1 CYS 14 5.373 -0.945 -5.124
85 H ALA 15 HN ALA 15 3.453 0.866 -3.134
86 HA ALA 15 HA ALA 15 3.024 2.896 -5.174
87 HB1 ALA 15 HB1 ALA 15 0.795 2.442 -4.252
88 HB2 ALA 15 HB2 ALA 15 1.357 4.049 -3.790
89 HB3 ALA 15 HB3 ALA 15 1.407 2.731 -2.624
90 H ASP 16 HN ASP 16 3.647 5.005 -4.401
91 HA ASP 16 HA ASP 16 5.858 4.724 -2.531
92 HB2 ASP 16 HB2 ASP 16 6.325 5.631 -4.787
93 HB3 ASP 16 HB1 ASP 16 5.234 6.968 -4.454
94 H PHE 17 HN PHE 17 5.158 4.974 -0.589
95 HA PHE 17 HA PHE 17 3.185 6.991 0.115
96 HB2 PHE 17 HB2 PHE 17 4.483 4.738 1.689
97 HB3 PHE 17 HB1 PHE 17 3.412 5.898 2.394
98 HD1 PHE 17 HD1 PHE 17 3.441 3.152 -0.202
99 HD2 PHE 17 HD2 PHE 17 1.097 5.735 2.274
100 HE1 PHE 17 HE1 PHE 17 1.487 1.938 -0.769
101 HE2 PHE 17 HE2 PHE 17 -0.876 4.459 1.679
102 HZ PHE 17 HZ PHE 17 -0.703 2.558 0.144
103 HA PRO 18 HA PRO 18 6.120 9.860 1.844
104 HB2 PRO 18 HB2 PRO 18 4.815 9.836 4.490
105 HB3 PRO 18 HB1 PRO 18 4.981 11.168 3.347
106 HG2 PRO 18 HG2 PRO 18 2.615 9.986 3.784
107 HG3 PRO 18 HG1 PRO 18 3.078 10.581 2.180
108 HD2 PRO 18 HD2 PRO 18 3.103 7.779 3.234
109 HD3 PRO 18 HD1 PRO 18 2.592 8.381 1.646
110 H TRP 19 HN TRP 19 7.801 10.125 3.415
111 HA TRP 19 HA TRP 19 9.154 7.804 4.226
112 HB2 TRP 19 HB2 TRP 19 10.193 10.044 3.809
113 HB3 TRP 19 HB1 TRP 19 9.425 10.647 5.264
114 HD1 TRP 19 HD1 TRP 19 12.391 8.587 4.071
115 HE1 TRP 19 HE1 TRP 19 13.970 8.176 6.055
116 HE3 TRP 19 3HE TRP 19 9.428 10.327 7.775
117 HZ2 TRP 19 HZ2 TRP 19 13.958 8.558 8.865
118 HZ3 TRP 19 HZ3 TRP 19 10.262 10.292 10.122
119 HH2 TRP 19 2HH TRP 19 12.485 9.416 10.640
120 HA PRO 20 HA PRO 20 10.229 6.779 5.545
121 HB2 PRO 20 HB2 PRO 20 10.603 4.932 7.401
122 HB3 PRO 20 HB1 PRO 20 10.933 6.637 7.735
123 HG2 PRO 20 HG2 PRO 20 8.721 4.930 8.691
124 HG3 PRO 20 HG1 PRO 20 9.407 6.392 9.425
125 HD2 PRO 20 HD2 PRO 20 7.057 6.126 7.747
126 HD3 PRO 20 HD1 PRO 20 7.677 7.579 8.560
127 H LEU 21 HN LEU 21 7.339 6.030 4.756
128 HA LEU 21 HA LEU 21 7.439 3.156 4.694
129 HB2 LEU 21 HB2 LEU 21 5.542 5.224 3.610
130 HB3 LEU 21 HB1 LEU 21 5.364 3.516 3.268
131 HG LEU 21 HG LEU 21 5.387 4.566 6.097
132 HD11 LEU 21 HD11 LEU 21 3.581 5.684 4.855
133 HD12 LEU 21 HD12 LEU 21 2.947 4.502 6.000
134 HD13 LEU 21 HD13 LEU 21 3.015 4.115 4.278
135 HD21 LEU 21 HD21 LEU 21 4.216 2.468 6.520
136 HD22 LEU 21 HD22 LEU 21 5.777 2.163 5.747
137 HD23 LEU 21 HD23 LEU 21 4.285 2.092 4.802
138 H GLY 22 HN GLY 22 7.366 5.807 2.314
139 HA2 GLY 22 HA2 GLY 22 8.341 5.984 0.252
140 HA3 GLY 22 HA1 GLY 22 9.421 4.675 0.724
141 H HIS 23 HN HIS 23 9.320 3.591 -1.197
142 HA HIS 23 HA HIS 23 6.828 2.878 -2.409
143 HB2 HIS 23 HB2 HIS 23 8.897 3.199 -3.750
144 HB3 HIS 23 HB1 HIS 23 9.629 1.849 -2.907
145 HD1 HIS 23 HD1 HIS 23 7.417 2.689 -5.776
146 HD2 HIS 23 HD2 HIS 23 8.642 -0.627 -3.628
147 HE1 HIS 23 HE1 HIS 23 6.810 0.693 -7.184
148 H GLN 24 HN GLN 24 5.578 1.588 -1.375
149 HA GLN 24 HA GLN 24 6.681 -0.751 0.020
150 HB2 GLN 24 HB2 GLN 24 4.224 0.899 0.569
151 HB3 GLN 24 HB1 GLN 24 4.580 -0.618 1.377
152 HG2 GLN 24 HG2 GLN 24 6.407 1.772 1.446
153 HG3 GLN 24 HG1 GLN 24 5.178 1.421 2.667
154 HE21 GLN 24 1HE2 GLN 24 5.497 -0.257 4.029
155 HE22 GLN 24 2HE2 GLN 24 7.020 -1.038 4.187
156 H CYS 25 HN CYS 25 5.869 -2.716 -0.478
157 HA CYS 25 HA CYS 25 3.723 -2.849 -2.479
158 HB2 CYS 25 HB2 CYS 25 6.012 -4.752 -1.977
159 HB3 CYS 25 HB1 CYS 25 4.703 -5.056 -3.112
160 H PHE 26 HN PHE 26 2.066 -4.327 -2.140
161 HA PHE 26 HA PHE 26 1.970 -5.396 0.623
162 HB2 PHE 26 HB2 PHE 26 -0.374 -4.198 -0.819
163 HB3 PHE 26 HB1 PHE 26 -0.234 -4.589 0.891
164 HD1 PHE 26 HD1 PHE 26 1.464 -3.275 2.263
165 HD2 PHE 26 HD2 PHE 26 0.147 -2.089 -1.623
166 HE1 PHE 26 HE1 PHE 26 2.264 -0.984 2.659
167 HE2 PHE 26 HE2 PHE 26 0.935 0.122 -1.231
168 HZ PHE 26 HZ PHE 26 1.982 0.719 0.863
169 HA PRO 27 HA PRO 27 0.853 -8.956 -2.002
170 HB2 PRO 27 HB2 PRO 27 1.208 -10.488 0.463
171 HB3 PRO 27 HB1 PRO 27 2.092 -10.625 -1.058
172 HG2 PRO 27 HG2 PRO 27 3.230 -9.636 1.182
173 HG3 PRO 27 HG1 PRO 27 3.666 -9.055 -0.432
174 HD2 PRO 27 HD2 PRO 27 1.865 -7.813 1.610
175 HD3 PRO 27 HD1 PRO 27 3.079 -7.058 0.550
176 H ASP 28 HN ASP 28 -0.582 -7.683 0.749
177 HA ASP 28 HA ASP 28 -3.031 -9.267 0.338
178 HB2 ASP 28 HB2 ASP 28 -3.474 -9.209 2.746
179 HB3 ASP 28 HB1 ASP 28 -1.910 -9.946 2.446
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 -1.711 -6.478 -0.179
2 HA2 GLY 1 HA2 GLY 1 -2.665 -4.440 -0.814
3 HA3 GLY 1 HA1 GLY 1 -4.189 -4.966 -0.116
4 H PHE 2 HN PHE 2 -3.525 -2.423 0.348
5 HA PHE 2 HA PHE 2 -2.857 -2.370 3.200
6 HB2 PHE 2 HB2 PHE 2 -0.736 -2.036 2.064
7 HB3 PHE 2 HB1 PHE 2 -1.437 -0.772 1.080
8 HD1 PHE 2 HD1 PHE 2 -0.734 -1.629 4.636
9 HD2 PHE 2 HD2 PHE 2 -1.144 1.428 1.703
10 HE1 PHE 2 HE1 PHE 2 0.090 0.032 6.245
11 HE2 PHE 2 HE2 PHE 2 -0.336 3.078 3.285
12 HZ PHE 2 HZ PHE 2 0.292 2.396 5.580
13 H CYS 3 HN CYS 3 -3.926 -0.702 4.278
14 HA CYS 3 HA CYS 3 -5.676 0.855 2.595
15 HB2 CYS 3 HB2 CYS 3 -6.028 -0.100 5.422
16 HB3 CYS 3 HB1 CYS 3 -7.076 1.099 4.665
17 H TRP 4 HN TRP 4 -5.513 2.802 2.489
18 HA TRP 4 HA TRP 4 -4.285 4.515 4.457
19 HB2 TRP 4 HB2 TRP 4 -2.242 3.808 3.517
20 HB3 TRP 4 HB1 TRP 4 -2.894 3.764 1.885
21 HD1 TRP 4 HD1 TRP 4 -1.660 6.270 4.526
22 HE1 TRP 4 HE1 TRP 4 -1.045 8.456 3.314
23 HE3 TRP 4 3HE TRP 4 -3.183 4.997 -0.143
24 HZ2 TRP 4 HZ2 TRP 4 -1.205 9.472 0.725
25 HZ3 TRP 4 HZ3 TRP 4 -2.924 6.568 -1.958
26 HH2 TRP 4 2HH TRP 4 -1.947 8.807 -1.567
27 H HIS 5 HN HIS 5 -4.594 6.861 3.903
28 HA HIS 5 HA HIS 5 -5.929 8.528 3.363
29 HB2 HIS 5 HB2 HIS 5 -4.527 7.915 1.250
30 HB3 HIS 5 HB1 HIS 5 -6.088 7.450 0.572
31 HD1 HIS 5 HD1 HIS 5 -6.972 9.379 -0.824
32 HD2 HIS 5 HD2 HIS 5 -4.990 10.509 2.614
33 HE1 HIS 5 HE1 HIS 5 -7.075 11.901 -0.808
34 H HIS 6 HN HIS 6 -7.268 6.095 4.253
35 HA HIS 6 HA HIS 6 -9.316 5.206 4.600
36 HB2 HIS 6 HB2 HIS 6 -10.380 7.636 3.126
37 HB3 HIS 6 HB1 HIS 6 -11.366 6.502 4.040
38 HD1 HIS 6 HD1 HIS 6 -11.027 6.560 6.692
39 HD2 HIS 6 HD2 HIS 6 -9.145 9.564 4.543
40 HE1 HIS 6 HE1 HIS 6 -10.362 8.308 8.370
41 H SER 7 HN SER 7 -7.821 5.035 1.959
42 HA SER 7 HA SER 7 -9.841 3.474 0.488
43 HB2 SER 7 HB2 SER 7 -9.039 5.591 -0.699
44 HB3 SER 7 HB1 SER 7 -7.401 4.969 -0.565
45 HG SER 7 HG SER 7 -9.575 3.836 -1.994
46 H CYS 8 HN CYS 8 -8.402 1.913 -0.887
47 HA CYS 8 HA CYS 8 -6.225 0.954 0.733
48 HB2 CYS 8 HB2 CYS 8 -8.684 -0.652 0.104
49 HB3 CYS 8 HB1 CYS 8 -7.194 -1.304 0.858
50 H VAL 9 HN VAL 9 -4.743 0.040 -0.430
51 HA VAL 9 HA VAL 9 -5.262 -0.140 -3.270
52 HB VAL 9 HB VAL 9 -2.776 -0.395 -3.508
53 HG11 VAL 9 HG11 VAL 9 -3.733 2.032 -2.026
54 HG12 VAL 9 HG12 VAL 9 -3.740 1.807 -3.800
55 HG13 VAL 9 3HG1 VAL 9 -2.206 1.910 -2.898
56 HG21 VAL 9 HG21 VAL 9 -2.223 -1.201 -1.234
57 HG22 VAL 9 HG22 VAL 9 -2.650 0.420 -0.612
58 HG23 VAL 9 HG23 VAL 9 -1.306 0.232 -1.704
59 HA PRO 10 HA PRO 10 -5.842 -4.437 -2.842
60 HB2 PRO 10 HB2 PRO 10 -5.487 -5.199 -5.440
61 HB3 PRO 10 HB1 PRO 10 -6.946 -4.404 -4.846
62 HG2 PRO 10 HG2 PRO 10 -4.629 -3.249 -6.333
63 HG3 PRO 10 HG1 PRO 10 -6.356 -2.886 -6.486
64 HD2 PRO 10 HD2 PRO 10 -4.593 -1.303 -5.144
65 HD3 PRO 10 HD1 PRO 10 -6.311 -1.388 -4.730
66 H SER 11 HN SER 11 -4.830 -6.545 -3.286
67 HA SER 11 HA SER 11 -2.153 -6.569 -2.512
68 HB2 SER 11 HB2 SER 11 -2.384 -9.044 -3.006
69 HB3 SER 11 HB1 SER 11 -3.534 -8.378 -1.855
70 HG SER 11 HG SER 11 -5.121 -8.729 -3.199
71 H GLY 12 HN GLY 12 -0.322 -6.701 -3.639
72 HA2 GLY 12 HA2 GLY 12 0.969 -7.265 -5.547
73 HA3 GLY 12 HA1 GLY 12 -0.490 -7.169 -6.524
74 H THR 13 HN THR 13 -0.709 -4.591 -4.604
75 HA THR 13 HA THR 13 0.219 -2.813 -6.653
76 HB THR 13 HB THR 13 -0.841 -2.188 -3.910
77 HG1 THR 13 HG1 THR 13 -2.505 -3.113 -4.886
78 HG21 THR 13 HG21 THR 13 -0.628 -0.415 -6.359
79 HG22 THR 13 HG22 THR 13 0.268 -0.253 -4.841
80 HG23 THR 13 HG23 THR 13 -1.464 0.031 -4.868
81 H CYS 14 HN CYS 14 1.689 -1.248 -6.322
82 HA CYS 14 HA CYS 14 3.570 -1.305 -4.112
83 HB2 CYS 14 HB2 CYS 14 4.371 -1.433 -7.043
84 HB3 CYS 14 HB1 CYS 14 5.476 -1.143 -5.712
85 H ALA 15 HN ALA 15 3.891 0.770 -3.538
86 HA ALA 15 HA ALA 15 3.623 2.876 -5.521
87 HB1 ALA 15 HB1 ALA 15 1.784 2.774 -3.138
88 HB2 ALA 15 HB2 ALA 15 1.303 2.455 -4.798
89 HB3 ALA 15 HB3 ALA 15 1.865 4.067 -4.338
90 H ASP 16 HN ASP 16 4.219 4.944 -4.700
91 HA ASP 16 HA ASP 16 6.111 4.825 -2.493
92 HB2 ASP 16 HB2 ASP 16 6.965 5.811 -4.536
93 HB3 ASP 16 HB1 ASP 16 5.584 6.891 -4.647
94 H PHE 17 HN PHE 17 5.219 5.122 -0.641
95 HA PHE 17 HA PHE 17 2.986 6.990 -0.277
96 HB2 PHE 17 HB2 PHE 17 4.106 4.777 1.454
97 HB3 PHE 17 HB1 PHE 17 2.799 5.793 1.971
98 HD1 PHE 17 HD1 PHE 17 0.560 5.606 0.961
99 HD2 PHE 17 HD2 PHE 17 3.755 3.049 -0.224
100 HE1 PHE 17 HE1 PHE 17 -1.025 4.119 -0.124
101 HE2 PHE 17 HE2 PHE 17 2.184 1.590 -1.296
102 HZ PHE 17 HZ PHE 17 -0.234 2.103 -1.265
103 HA PRO 18 HA PRO 18 5.426 9.924 2.045
104 HB2 PRO 18 HB2 PRO 18 3.757 9.462 4.465
105 HB3 PRO 18 HB1 PRO 18 4.085 10.969 3.604
106 HG2 PRO 18 HG2 PRO 18 1.717 9.796 3.389
107 HG3 PRO 18 HG1 PRO 18 2.484 10.538 1.974
108 HD2 PRO 18 HD2 PRO 18 2.309 7.660 2.748
109 HD3 PRO 18 HD1 PRO 18 2.110 8.391 1.144
110 H TRP 19 HN TRP 19 6.870 10.172 3.854
111 HA TRP 19 HA TRP 19 8.314 7.857 4.620
112 HB2 TRP 19 HB2 TRP 19 9.154 10.257 4.442
113 HB3 TRP 19 HB1 TRP 19 8.280 10.597 5.925
114 HD1 TRP 19 HD1 TRP 19 11.428 8.933 4.604
115 HE1 TRP 19 HE1 TRP 19 12.993 8.422 6.558
116 HE3 TRP 19 3HE TRP 19 8.257 10.013 8.390
117 HZ2 TRP 19 HZ2 TRP 19 12.887 8.477 9.407
118 HZ3 TRP 19 HZ3 TRP 19 9.041 9.770 10.739
119 HH2 TRP 19 2HH TRP 19 11.314 9.012 11.221
120 HA PRO 20 HA PRO 20 9.294 6.803 6.085
121 HB2 PRO 20 HB2 PRO 20 9.510 4.911 7.892
122 HB3 PRO 20 HB1 PRO 20 9.631 6.608 8.376
123 HG2 PRO 20 HG2 PRO 20 7.393 4.685 8.769
124 HG3 PRO 20 HG1 PRO 20 7.912 6.029 9.797
125 HD2 PRO 20 HD2 PRO 20 5.818 6.025 7.852
126 HD3 PRO 20 HD1 PRO 20 6.403 7.403 8.804
127 H LEU 21 HN LEU 21 6.586 5.980 4.846
128 HA LEU 21 HA LEU 21 6.763 3.119 4.744
129 HB2 LEU 21 HB2 LEU 21 5.017 5.144 3.379
130 HB3 LEU 21 HB1 LEU 21 4.940 3.432 3.010
131 HG LEU 21 HG LEU 21 4.463 4.512 5.793
132 HD11 LEU 21 HD11 LEU 21 2.086 4.262 5.299
133 HD12 LEU 21 HD12 LEU 21 2.481 3.831 3.633
134 HD13 LEU 21 HD13 LEU 21 2.816 5.463 4.227
135 HD21 LEU 21 HD21 LEU 21 3.378 2.358 6.090
136 HD22 LEU 21 HD22 LEU 21 5.060 2.138 5.580
137 HD23 LEU 21 HD23 LEU 21 3.741 1.957 4.413
138 H GLY 22 HN GLY 22 7.079 5.776 2.403
139 HA2 GLY 22 HA2 GLY 22 8.462 5.925 0.536
140 HA3 GLY 22 HA1 GLY 22 9.335 4.526 1.148
141 H HIS 23 HN HIS 23 9.450 3.381 -0.779
142 HA HIS 23 HA HIS 23 6.980 2.889 -2.210
143 HB2 HIS 23 HB2 HIS 23 9.143 3.225 -3.482
144 HB3 HIS 23 HB1 HIS 23 9.730 1.730 -2.768
145 HD1 HIS 23 HD1 HIS 23 7.512 3.040 -5.482
146 HD2 HIS 23 HD2 HIS 23 8.559 -0.564 -3.741
147 HE1 HIS 23 HE1 HIS 23 6.628 1.266 -7.017
148 H GLN 24 HN GLN 24 5.692 1.356 -1.645
149 HA GLN 24 HA GLN 24 6.772 -1.017 -0.261
150 HB2 GLN 24 HB2 GLN 24 4.270 0.536 0.360
151 HB3 GLN 24 HB1 GLN 24 4.652 -1.030 1.048
152 HG2 GLN 24 HG2 GLN 24 6.387 1.398 1.377
153 HG3 GLN 24 HG1 GLN 24 5.105 0.957 2.499
154 HE21 GLN 24 1HE2 GLN 24 6.491 0.682 4.157
155 HE22 GLN 24 2HE2 GLN 24 7.597 -0.647 4.281
156 H CYS 25 HN CYS 25 5.864 -2.958 -0.809
157 HA CYS 25 HA CYS 25 3.724 -2.963 -2.804
158 HB2 CYS 25 HB2 CYS 25 5.980 -4.953 -2.390
159 HB3 CYS 25 HB1 CYS 25 4.639 -5.197 -3.501
160 H PHE 26 HN PHE 26 2.062 -4.608 -2.459
161 HA PHE 26 HA PHE 26 2.013 -5.455 0.381
162 HB2 PHE 26 HB2 PHE 26 -0.336 -4.301 -1.087
163 HB3 PHE 26 HB1 PHE 26 -0.225 -4.688 0.627
164 HD1 PHE 26 HD1 PHE 26 1.718 -3.493 1.892
165 HD2 PHE 26 HD2 PHE 26 -0.006 -2.108 -1.769
166 HE1 PHE 26 HE1 PHE 26 2.555 -1.224 2.324
167 HE2 PHE 26 HE2 PHE 26 0.826 0.081 -1.336
168 HZ PHE 26 HZ PHE 26 2.094 0.570 0.668
169 HA PRO 27 HA PRO 27 0.976 -9.388 -1.702
170 HB2 PRO 27 HB2 PRO 27 1.036 -10.245 1.138
171 HB3 PRO 27 HB1 PRO 27 1.860 -10.940 -0.262
172 HG2 PRO 27 HG2 PRO 27 3.227 -9.545 1.531
173 HG3 PRO 27 HG1 PRO 27 3.570 -9.369 -0.201
174 HD2 PRO 27 HD2 PRO 27 2.023 -7.563 1.616
175 HD3 PRO 27 HD1 PRO 27 3.202 -7.155 0.349
176 H ASP 28 HN ASP 28 -0.637 -7.835 0.996
177 HA ASP 28 HA ASP 28 -3.144 -9.219 0.265
178 HB2 ASP 28 HB2 ASP 28 -2.180 -8.458 3.022
179 HB3 ASP 28 HB1 ASP 28 -3.859 -8.824 2.671
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 -1.343 -6.356 0.059
2 HA2 GLY 1 HA2 GLY 1 -2.547 -4.464 -0.610
3 HA3 GLY 1 HA1 GLY 1 -3.957 -5.098 0.229
4 H PHE 2 HN PHE 2 -3.608 -2.508 0.550
5 HA PHE 2 HA PHE 2 -3.003 -2.232 3.368
6 HB2 PHE 2 HB2 PHE 2 -0.796 -1.912 2.387
7 HB3 PHE 2 HB1 PHE 2 -1.438 -0.729 1.266
8 HD1 PHE 2 HD1 PHE 2 -1.298 -1.318 4.933
9 HD2 PHE 2 HD2 PHE 2 -1.009 1.465 1.743
10 HE1 PHE 2 HE1 PHE 2 -0.706 0.446 6.531
11 HE2 PHE 2 HE2 PHE 2 -0.422 3.229 3.308
12 HZ PHE 2 HZ PHE 2 -0.262 2.739 5.721
13 H CYS 3 HN CYS 3 -4.373 -0.706 4.247
14 HA CYS 3 HA CYS 3 -5.909 0.787 2.307
15 HB2 CYS 3 HB2 CYS 3 -6.691 -0.134 5.076
16 HB3 CYS 3 HB1 CYS 3 -7.709 0.811 3.997
17 H TRP 4 HN TRP 4 -5.906 2.861 2.427
18 HA TRP 4 HA TRP 4 -4.879 4.405 4.614
19 HB2 TRP 4 HB2 TRP 4 -2.767 3.576 3.936
20 HB3 TRP 4 HB1 TRP 4 -3.176 3.688 2.236
21 HD1 TRP 4 HD1 TRP 4 -2.154 5.893 5.191
22 HE1 TRP 4 HE1 TRP 4 -1.119 8.050 4.249
23 HE3 TRP 4 3HE TRP 4 -3.077 5.074 0.274
24 HZ2 TRP 4 HZ2 TRP 4 -0.788 9.225 1.749
25 HZ3 TRP 4 HZ3 TRP 4 -2.376 6.708 -1.365
26 HH2 TRP 4 2HH TRP 4 -1.232 8.790 -0.668
27 H HIS 5 HN HIS 5 -4.951 6.818 4.056
28 HA HIS 5 HA HIS 5 -6.038 8.566 3.307
29 HB2 HIS 5 HB2 HIS 5 -4.327 7.813 1.519
30 HB3 HIS 5 HB1 HIS 5 -5.754 7.468 0.539
31 HD1 HIS 5 HD1 HIS 5 -6.132 9.425 -1.012
32 HD2 HIS 5 HD2 HIS 5 -4.830 10.479 2.763
33 HE1 HIS 5 HE1 HIS 5 -6.031 11.952 -1.029
34 H HIS 6 HN HIS 6 -7.686 6.254 3.935
35 HA HIS 6 HA HIS 6 -9.790 5.541 3.924
36 HB2 HIS 6 HB2 HIS 6 -10.316 8.132 2.459
37 HB3 HIS 6 HB1 HIS 6 -11.593 7.008 2.920
38 HD1 HIS 6 HD1 HIS 6 -12.627 7.488 5.162
39 HD2 HIS 6 HD2 HIS 6 -8.785 9.024 4.821
40 HE1 HIS 6 HE1 HIS 6 -12.203 8.764 7.284
41 H SER 7 HN SER 7 -7.922 5.224 1.570
42 HA SER 7 HA SER 7 -9.843 3.884 -0.191
43 HB2 SER 7 HB2 SER 7 -8.127 4.227 -2.005
44 HB3 SER 7 HB1 SER 7 -8.765 5.738 -1.357
45 HG SER 7 HG SER 7 -6.646 5.200 0.106
46 H CYS 8 HN CYS 8 -8.179 2.077 -1.433
47 HA CYS 8 HA CYS 8 -6.298 1.122 0.471
48 HB2 CYS 8 HB2 CYS 8 -8.542 0.290 1.307
49 HB3 CYS 8 HB1 CYS 8 -8.592 -0.646 -0.204
50 H VAL 9 HN VAL 9 -4.854 0.170 -0.429
51 HA VAL 9 HA VAL 9 -5.052 -0.297 -3.274
52 HB VAL 9 HB VAL 9 -2.561 -0.529 -3.264
53 HG11 VAL 9 HG11 VAL 9 -3.521 1.643 -3.825
54 HG12 VAL 9 HG12 VAL 9 -2.045 1.857 -2.870
55 HG13 VAL 9 3HG1 VAL 9 -3.618 2.046 -2.104
56 HG21 VAL 9 HG21 VAL 9 -2.725 0.458 -0.424
57 HG22 VAL 9 HG22 VAL 9 -1.269 0.326 -1.392
58 HG23 VAL 9 HG23 VAL 9 -2.151 -1.140 -0.943
59 HA PRO 10 HA PRO 10 -5.615 -4.535 -2.378
60 HB2 PRO 10 HB2 PRO 10 -5.548 -5.475 -4.924
61 HB3 PRO 10 HB1 PRO 10 -6.932 -4.614 -4.246
62 HG2 PRO 10 HG2 PRO 10 -4.819 -3.662 -6.100
63 HG3 PRO 10 HG1 PRO 10 -6.528 -3.209 -6.009
64 HD2 PRO 10 HD2 PRO 10 -4.418 -1.711 -5.026
65 HD3 PRO 10 HD1 PRO 10 -6.100 -1.528 -4.515
66 H SER 11 HN SER 11 -4.657 -6.667 -2.786
67 HA SER 11 HA SER 11 -1.924 -6.695 -2.313
68 HB2 SER 11 HB2 SER 11 -2.214 -9.190 -2.763
69 HB3 SER 11 HB1 SER 11 -3.185 -8.489 -1.476
70 HG SER 11 HG SER 11 -4.319 -8.467 -4.025
71 H GLY 12 HN GLY 12 -0.229 -6.705 -3.576
72 HA2 GLY 12 HA2 GLY 12 0.936 -7.391 -5.563
73 HA3 GLY 12 HA1 GLY 12 -0.574 -7.228 -6.451
74 H THR 13 HN THR 13 -0.853 -4.689 -4.638
75 HA THR 13 HA THR 13 0.105 -2.923 -6.662
76 HB THR 13 HB THR 13 -1.254 -2.451 -4.049
77 HG1 THR 13 HG1 THR 13 -2.193 -3.539 -6.057
78 HG21 THR 13 HG21 THR 13 -1.912 -0.183 -5.017
79 HG22 THR 13 HG22 THR 13 -0.693 -0.443 -6.261
80 HG23 THR 13 HG23 THR 13 -0.229 -0.366 -4.559
81 H CYS 14 HN CYS 14 1.359 -1.197 -6.264
82 HA CYS 14 HA CYS 14 3.308 -1.171 -4.112
83 HB2 CYS 14 HB2 CYS 14 4.051 -1.237 -7.059
84 HB3 CYS 14 HB1 CYS 14 5.166 -0.920 -5.742
85 H ALA 15 HN ALA 15 3.532 0.919 -3.549
86 HA ALA 15 HA ALA 15 3.152 2.990 -5.539
87 HB1 ALA 15 HB1 ALA 15 0.853 2.519 -4.827
88 HB2 ALA 15 HB2 ALA 15 1.366 4.130 -4.320
89 HB3 ALA 15 HB3 ALA 15 1.312 2.813 -3.150
90 H ASP 16 HN ASP 16 3.323 5.167 -4.426
91 HA ASP 16 HA ASP 16 5.558 5.034 -2.544
92 HB2 ASP 16 HB2 ASP 16 6.082 6.202 -4.584
93 HB3 ASP 16 HB1 ASP 16 4.638 7.194 -4.433
94 H PHE 17 HN PHE 17 5.160 5.434 -0.557
95 HA PHE 17 HA PHE 17 2.907 7.152 0.234
96 HB2 PHE 17 HB2 PHE 17 4.141 4.773 1.636
97 HB3 PHE 17 HB1 PHE 17 2.863 5.718 2.324
98 HD1 PHE 17 HD1 PHE 17 0.551 5.481 1.533
99 HD2 PHE 17 HD2 PHE 17 3.715 3.275 -0.270
100 HE1 PHE 17 HE1 PHE 17 -1.066 4.069 0.397
101 HE2 PHE 17 HE2 PHE 17 2.109 1.889 -1.389
102 HZ PHE 17 HZ PHE 17 -0.309 2.268 -1.075
103 HA PRO 18 HA PRO 18 5.851 9.704 2.422
104 HB2 PRO 18 HB2 PRO 18 4.332 9.314 4.941
105 HB3 PRO 18 HB1 PRO 18 4.715 10.816 4.097
106 HG2 PRO 18 HG2 PRO 18 2.250 9.854 4.050
107 HG3 PRO 18 HG1 PRO 18 2.967 10.569 2.593
108 HD2 PRO 18 HD2 PRO 18 2.624 7.673 3.307
109 HD3 PRO 18 HD1 PRO 18 2.327 8.488 1.758
110 H TRP 19 HN TRP 19 7.447 9.700 4.160
111 HA TRP 19 HA TRP 19 8.584 7.110 4.601
112 HB2 TRP 19 HB2 TRP 19 9.806 9.336 4.290
113 HB3 TRP 19 HB1 TRP 19 9.341 9.717 5.944
114 HD1 TRP 19 HD1 TRP 19 11.617 7.399 3.914
115 HE1 TRP 19 HE1 TRP 19 13.404 6.425 5.473
116 HE3 TRP 19 3HE TRP 19 9.830 9.179 8.254
117 HZ2 TRP 19 HZ2 TRP 19 14.005 6.463 8.255
118 HZ3 TRP 19 HZ3 TRP 19 11.052 8.707 10.377
119 HH2 TRP 19 2HH TRP 19 13.099 7.365 10.360
120 HA PRO 20 HA PRO 20 9.780 5.996 5.967
121 HB2 PRO 20 HB2 PRO 20 9.911 3.907 7.566
122 HB3 PRO 20 HB1 PRO 20 10.310 5.524 8.162
123 HG2 PRO 20 HG2 PRO 20 7.877 3.881 8.641
124 HG3 PRO 20 HG1 PRO 20 8.678 5.043 9.711
125 HD2 PRO 20 HD2 PRO 20 6.415 5.494 8.031
126 HD3 PRO 20 HD1 PRO 20 7.292 6.699 8.993
127 H LEU 21 HN LEU 21 6.838 5.536 4.975
128 HA LEU 21 HA LEU 21 6.899 2.717 4.475
129 HB2 LEU 21 HB2 LEU 21 5.105 4.949 3.550
130 HB3 LEU 21 HB1 LEU 21 4.932 3.300 2.980
131 HG LEU 21 HG LEU 21 4.719 4.062 5.902
132 HD11 LEU 21 HD11 LEU 21 2.551 3.611 3.862
133 HD12 LEU 21 HD12 LEU 21 2.952 5.172 4.593
134 HD13 LEU 21 HD13 LEU 21 2.307 3.862 5.589
135 HD21 LEU 21 HD21 LEU 21 3.639 1.888 6.068
136 HD22 LEU 21 HD22 LEU 21 5.274 1.718 5.408
137 HD23 LEU 21 HD23 LEU 21 3.865 1.656 4.337
138 H GLY 22 HN GLY 22 7.100 5.670 2.474
139 HA2 GLY 22 HA2 GLY 22 8.271 6.054 0.530
140 HA3 GLY 22 HA1 GLY 22 9.248 4.642 0.927
141 H HIS 23 HN HIS 23 9.249 3.628 -1.041
142 HA HIS 23 HA HIS 23 6.718 3.158 -2.360
143 HB2 HIS 23 HB2 HIS 23 8.819 3.559 -3.708
144 HB3 HIS 23 HB1 HIS 23 9.452 2.047 -3.075
145 HD1 HIS 23 HD1 HIS 23 7.250 3.436 -5.704
146 HD2 HIS 23 HD2 HIS 23 8.140 -0.216 -4.004
147 HE1 HIS 23 HE1 HIS 23 6.324 1.712 -7.292
148 H GLN 24 HN GLN 24 5.483 1.604 -1.754
149 HA GLN 24 HA GLN 24 6.659 -0.715 -0.384
150 HB2 GLN 24 HB2 GLN 24 4.151 0.808 0.215
151 HB3 GLN 24 HB1 GLN 24 4.475 -0.789 0.866
152 HG2 GLN 24 HG2 GLN 24 6.296 1.561 1.275
153 HG3 GLN 24 HG1 GLN 24 4.992 1.115 2.381
154 HE21 GLN 24 1HE2 GLN 24 5.190 -0.713 3.562
155 HE22 GLN 24 2HE2 GLN 24 6.709 -1.514 3.755
156 H CYS 25 HN CYS 25 5.983 -2.672 -1.011
157 HA CYS 25 HA CYS 25 3.775 -2.832 -2.923
158 HB2 CYS 25 HB2 CYS 25 6.176 -4.636 -2.560
159 HB3 CYS 25 HB1 CYS 25 4.803 -5.059 -3.576
160 H PHE 26 HN PHE 26 2.120 -4.241 -2.450
161 HA PHE 26 HA PHE 26 2.166 -5.176 0.354
162 HB2 PHE 26 HB2 PHE 26 -0.177 -4.133 -1.184
163 HB3 PHE 26 HB1 PHE 26 -0.140 -4.533 0.525
164 HD1 PHE 26 HD1 PHE 26 1.563 -3.257 1.963
165 HD2 PHE 26 HD2 PHE 26 0.250 -2.030 -1.895
166 HE1 PHE 26 HE1 PHE 26 2.273 -0.952 2.436
167 HE2 PHE 26 HE2 PHE 26 0.946 0.218 -1.429
168 HZ PHE 26 HZ PHE 26 1.945 0.791 0.692
169 HA PRO 27 HA PRO 27 1.199 -9.099 -1.770
170 HB2 PRO 27 HB2 PRO 27 1.719 -10.179 0.915
171 HB3 PRO 27 HB1 PRO 27 2.493 -10.583 -0.618
172 HG2 PRO 27 HG2 PRO 27 3.785 -9.208 1.291
173 HG3 PRO 27 HG1 PRO 27 4.049 -8.878 -0.429
174 HD2 PRO 27 HD2 PRO 27 2.389 -7.382 1.555
175 HD3 PRO 27 HD1 PRO 27 3.471 -6.766 0.283
176 H ASP 28 HN ASP 28 -0.099 -7.593 1.019
177 HA ASP 28 HA ASP 28 -2.518 -9.263 0.866
178 HB2 ASP 28 HB2 ASP 28 -1.239 -9.709 2.943
179 HB3 ASP 28 HB1 ASP 28 -1.281 -8.002 3.340
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 -1.334 -6.157 -0.026
2 HA2 GLY 1 HA2 GLY 1 -2.434 -4.254 -0.757
3 HA3 GLY 1 HA1 GLY 1 -3.889 -4.833 0.049
4 H PHE 2 HN PHE 2 -3.564 -2.262 0.329
5 HA PHE 2 HA PHE 2 -2.968 -2.000 3.157
6 HB2 PHE 2 HB2 PHE 2 -0.812 -1.490 2.134
7 HB3 PHE 2 HB1 PHE 2 -1.564 -0.306 1.085
8 HD1 PHE 2 HD1 PHE 2 -1.569 -1.024 4.732
9 HD2 PHE 2 HD2 PHE 2 -1.042 1.852 1.651
10 HE1 PHE 2 HE1 PHE 2 -1.100 0.693 6.416
11 HE2 PHE 2 HE2 PHE 2 -0.570 3.577 3.328
12 HZ PHE 2 HZ PHE 2 -0.598 3.003 5.719
13 H CYS 3 HN CYS 3 -4.519 -0.819 4.059
14 HA CYS 3 HA CYS 3 -6.184 0.731 2.283
15 HB2 CYS 3 HB2 CYS 3 -6.841 -0.487 4.974
16 HB3 CYS 3 HB1 CYS 3 -7.952 0.382 3.930
17 H TRP 4 HN TRP 4 -6.175 2.753 2.487
18 HA TRP 4 HA TRP 4 -5.284 4.183 4.833
19 HB2 TRP 4 HB2 TRP 4 -3.141 3.748 4.095
20 HB3 TRP 4 HB1 TRP 4 -3.634 3.607 2.420
21 HD1 TRP 4 HD1 TRP 4 -2.649 6.188 5.026
22 HE1 TRP 4 HE1 TRP 4 -2.007 8.349 3.783
23 HE3 TRP 4 3HE TRP 4 -3.982 4.805 0.334
24 HZ2 TRP 4 HZ2 TRP 4 -2.110 9.297 1.251
25 HZ3 TRP 4 HZ3 TRP 4 -3.679 6.372 -1.497
26 HH2 TRP 4 2HH TRP 4 -2.742 8.620 -1.089
27 H HIS 5 HN HIS 5 -5.524 6.589 4.463
28 HA HIS 5 HA HIS 5 -7.155 8.146 4.183
29 HB2 HIS 5 HB2 HIS 5 -5.608 7.758 1.736
30 HB3 HIS 5 HB1 HIS 5 -6.989 8.874 1.592
31 HD1 HIS 5 HD1 HIS 5 -4.925 10.628 1.150
32 HD2 HIS 5 HD2 HIS 5 -5.260 9.075 4.990
33 HE1 HIS 5 HE1 HIS 5 -3.534 12.124 2.639
34 H HIS 6 HN HIS 6 -8.560 5.928 4.391
35 HA HIS 6 HA HIS 6 -10.588 4.988 4.099
36 HB2 HIS 6 HB2 HIS 6 -11.191 7.660 2.823
37 HB3 HIS 6 HB1 HIS 6 -12.422 6.436 3.106
38 HD1 HIS 6 HD1 HIS 6 -13.162 6.065 5.587
39 HD2 HIS 6 HD2 HIS 6 -10.287 9.012 5.069
40 HE1 HIS 6 HE1 HIS 6 -13.070 7.338 7.762
41 H SER 7 HN SER 7 -8.540 4.853 1.914
42 HA SER 7 HA SER 7 -10.258 3.618 -0.097
43 HB2 SER 7 HB2 SER 7 -7.643 5.110 -0.507
44 HB3 SER 7 HB1 SER 7 -8.625 4.368 -1.772
45 HG SER 7 HG SER 7 -9.132 6.653 -0.214
46 H CYS 8 HN CYS 8 -8.556 1.994 -1.348
47 HA CYS 8 HA CYS 8 -6.468 1.128 0.431
48 HB2 CYS 8 HB2 CYS 8 -8.571 0.071 1.307
49 HB3 CYS 8 HB1 CYS 8 -8.672 -0.773 -0.254
50 H VAL 9 HN VAL 9 -4.969 0.195 -0.529
51 HA VAL 9 HA VAL 9 -5.202 -0.082 -3.417
52 HB VAL 9 HB VAL 9 -2.726 -0.270 -3.526
53 HG11 VAL 9 HG11 VAL 9 -3.634 1.957 -3.740
54 HG12 VAL 9 HG12 VAL 9 -2.106 1.988 -2.844
55 HG13 VAL 9 3HG1 VAL 9 -3.638 2.136 -1.974
56 HG21 VAL 9 HG21 VAL 9 -2.751 0.243 -0.563
57 HG22 VAL 9 HG22 VAL 9 -1.325 0.286 -1.588
58 HG23 VAL 9 HG23 VAL 9 -2.193 -1.238 -1.361
59 HA PRO 10 HA PRO 10 -5.817 -4.375 -2.936
60 HB2 PRO 10 HB2 PRO 10 -5.216 -5.166 -5.487
61 HB3 PRO 10 HB1 PRO 10 -6.749 -4.424 -5.029
62 HG2 PRO 10 HG2 PRO 10 -4.380 -3.224 -6.369
63 HG3 PRO 10 HG1 PRO 10 -6.102 -2.895 -6.624
64 HD2 PRO 10 HD2 PRO 10 -4.429 -1.274 -5.203
65 HD3 PRO 10 HD1 PRO 10 -6.172 -1.363 -4.905
66 H SER 11 HN SER 11 -4.712 -6.452 -3.076
67 HA SER 11 HA SER 11 -2.027 -6.272 -2.303
68 HB2 SER 11 HB2 SER 11 -3.468 -8.768 -3.201
69 HB3 SER 11 HB1 SER 11 -2.188 -8.568 -1.983
70 HG SER 11 HG SER 11 -4.643 -8.687 -1.439
71 H GLY 12 HN GLY 12 -0.201 -6.689 -3.451
72 HA2 GLY 12 HA2 GLY 12 0.990 -7.531 -5.335
73 HA3 GLY 12 HA1 GLY 12 -0.468 -7.329 -6.307
74 H THR 13 HN THR 13 -0.681 -4.726 -4.643
75 HA THR 13 HA THR 13 0.435 -3.043 -6.672
76 HB THR 13 HB THR 13 -0.941 -2.403 -4.085
77 HG1 THR 13 HG1 THR 13 -2.490 -3.267 -5.117
78 HG21 THR 13 HG21 THR 13 -0.514 -0.638 -6.516
79 HG22 THR 13 HG22 THR 13 0.176 -0.417 -4.895
80 HG23 THR 13 HG23 THR 13 -1.553 -0.245 -5.142
81 H CYS 14 HN CYS 14 1.757 -1.328 -6.207
82 HA CYS 14 HA CYS 14 3.445 -1.274 -3.864
83 HB2 CYS 14 HB2 CYS 14 4.518 -1.316 -6.724
84 HB3 CYS 14 HB1 CYS 14 5.479 -0.992 -5.290
85 H ALA 15 HN ALA 15 3.566 0.846 -3.306
86 HA ALA 15 HA ALA 15 2.936 2.801 -5.373
87 HB1 ALA 15 HB1 ALA 15 0.783 2.188 -4.373
88 HB2 ALA 15 HB2 ALA 15 1.214 3.863 -4.028
89 HB3 ALA 15 HB3 ALA 15 1.403 2.631 -2.782
90 H ASP 16 HN ASP 16 3.232 4.988 -4.635
91 HA ASP 16 HA ASP 16 5.669 5.170 -3.081
92 HB2 ASP 16 HB2 ASP 16 5.578 6.269 -5.257
93 HB3 ASP 16 HB1 ASP 16 4.176 7.197 -4.745
94 H PHE 17 HN PHE 17 5.399 5.420 -0.977
95 HA PHE 17 HA PHE 17 3.459 7.411 -0.120
96 HB2 PHE 17 HB2 PHE 17 4.277 4.880 1.374
97 HB3 PHE 17 HB1 PHE 17 3.378 6.156 2.066
98 HD1 PHE 17 HD1 PHE 17 1.175 6.870 1.140
99 HD2 PHE 17 HD2 PHE 17 2.955 3.133 0.024
100 HE1 PHE 17 HE1 PHE 17 -0.988 6.014 0.412
101 HE2 PHE 17 HE2 PHE 17 0.831 2.335 -0.673
102 HZ PHE 17 HZ PHE 17 -1.176 3.748 -0.502
103 HA PRO 18 HA PRO 18 6.924 9.442 1.771
104 HB2 PRO 18 HB2 PRO 18 5.461 9.935 4.258
105 HB3 PRO 18 HB1 PRO 18 5.966 11.092 3.025
106 HG2 PRO 18 HG2 PRO 18 3.374 10.446 3.404
107 HG3 PRO 18 HG1 PRO 18 4.034 10.848 1.811
108 HD2 PRO 18 HD2 PRO 18 3.451 8.129 2.970
109 HD3 PRO 18 HD1 PRO 18 3.124 8.776 1.348
110 H TRP 19 HN TRP 19 8.442 9.336 3.540
111 HA TRP 19 HA TRP 19 9.049 6.782 4.526
112 HB2 TRP 19 HB2 TRP 19 10.595 8.780 4.267
113 HB3 TRP 19 HB1 TRP 19 9.837 9.453 5.701
114 HD1 TRP 19 HD1 TRP 19 12.312 6.762 4.598
115 HE1 TRP 19 HE1 TRP 19 13.578 5.903 6.666
116 HE3 TRP 19 3HE TRP 19 9.617 9.110 8.168
117 HZ2 TRP 19 HZ2 TRP 19 13.450 6.208 9.476
118 HZ3 TRP 19 HZ3 TRP 19 10.235 8.802 10.561
119 HH2 TRP 19 2HH TRP 19 12.116 7.371 11.186
120 HA PRO 20 HA PRO 20 9.811 5.685 6.164
121 HB2 PRO 20 HB2 PRO 20 9.217 3.666 7.861
122 HB3 PRO 20 HB1 PRO 20 10.029 5.149 8.364
123 HG2 PRO 20 HG2 PRO 20 7.315 4.241 8.967
124 HG3 PRO 20 HG1 PRO 20 8.256 5.528 9.728
125 HD2 PRO 20 HD2 PRO 20 6.182 5.726 7.694
126 HD3 PRO 20 HD1 PRO 20 6.959 7.022 8.622
127 H LEU 21 HN LEU 21 6.870 5.546 4.890
128 HA LEU 21 HA LEU 21 6.671 2.732 4.460
129 HB2 LEU 21 HB2 LEU 21 5.253 5.112 3.274
130 HB3 LEU 21 HB1 LEU 21 4.853 3.446 2.900
131 HG LEU 21 HG LEU 21 4.659 4.639 5.675
132 HD11 LEU 21 HD11 LEU 21 2.505 4.165 3.616
133 HD12 LEU 21 HD12 LEU 21 3.070 5.739 4.185
134 HD13 LEU 21 HD13 LEU 21 2.239 4.645 5.290
135 HD21 LEU 21 HD21 LEU 21 3.331 2.663 6.128
136 HD22 LEU 21 HD22 LEU 21 4.952 2.208 5.584
137 HD23 LEU 21 HD23 LEU 21 3.576 2.124 4.470
138 H GLY 22 HN GLY 22 7.303 5.582 2.415
139 HA2 GLY 22 HA2 GLY 22 8.676 5.813 0.576
140 HA3 GLY 22 HA1 GLY 22 9.454 4.307 1.063
141 H HIS 23 HN HIS 23 9.518 3.256 -0.861
142 HA HIS 23 HA HIS 23 7.062 2.979 -2.379
143 HB2 HIS 23 HB2 HIS 23 9.331 3.245 -3.548
144 HB3 HIS 23 HB1 HIS 23 9.747 1.667 -2.911
145 HD1 HIS 23 HD1 HIS 23 7.629 3.320 -5.563
146 HD2 HIS 23 HD2 HIS 23 8.592 -0.461 -4.155
147 HE1 HIS 23 HE1 HIS 23 6.781 1.707 -7.295
148 H GLN 24 HN GLN 24 5.747 1.778 -1.277
149 HA GLN 24 HA GLN 24 6.658 -0.656 0.083
150 HB2 GLN 24 HB2 GLN 24 4.166 0.986 0.238
151 HB3 GLN 24 HB1 GLN 24 4.297 -0.599 0.968
152 HG2 GLN 24 HG2 GLN 24 6.127 1.679 1.624
153 HG3 GLN 24 HG1 GLN 24 4.611 1.334 2.465
154 HE21 GLN 24 1HE2 GLN 24 4.502 -0.439 3.794
155 HE22 GLN 24 2HE2 GLN 24 5.919 -1.295 4.267
156 H CYS 25 HN CYS 25 6.196 -2.580 -0.731
157 HA CYS 25 HA CYS 25 4.078 -2.780 -2.708
158 HB2 CYS 25 HB2 CYS 25 6.388 -4.611 -2.048
159 HB3 CYS 25 HB1 CYS 25 5.067 -5.062 -3.123
160 H PHE 26 HN PHE 26 2.399 -4.210 -2.392
161 HA PHE 26 HA PHE 26 2.072 -4.903 0.453
162 HB2 PHE 26 HB2 PHE 26 -0.073 -3.858 -1.378
163 HB3 PHE 26 HB1 PHE 26 -0.193 -4.145 0.350
164 HD1 PHE 26 HD1 PHE 26 0.459 -1.772 -2.184
165 HD2 PHE 26 HD2 PHE 26 1.379 -2.795 1.841
166 HE1 PHE 26 HE1 PHE 26 1.146 0.515 -1.773
167 HE2 PHE 26 HE2 PHE 26 2.058 -0.476 2.265
168 HZ PHE 26 HZ PHE 26 1.939 1.177 0.442
169 HA PRO 27 HA PRO 27 1.069 -8.778 -1.811
170 HB2 PRO 27 HB2 PRO 27 1.753 -10.014 0.766
171 HB3 PRO 27 HB1 PRO 27 2.458 -10.307 -0.827
172 HG2 PRO 27 HG2 PRO 27 3.829 -9.046 1.109
173 HG3 PRO 27 HG1 PRO 27 4.010 -8.610 -0.601
174 HD2 PRO 27 HD2 PRO 27 2.390 -7.268 1.533
175 HD3 PRO 27 HD1 PRO 27 3.451 -6.540 0.302
176 H ASP 28 HN ASP 28 -0.033 -7.268 0.990
177 HA ASP 28 HA ASP 28 -2.464 -8.948 1.110
178 HB2 ASP 28 HB2 ASP 28 -1.060 -9.125 3.153
179 HB3 ASP 28 HB1 ASP 28 -1.140 -7.387 3.351
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 -1.392 -6.432 0.144
2 HA2 GLY 1 HA2 GLY 1 -2.630 -4.621 -0.685
3 HA3 GLY 1 HA1 GLY 1 -4.068 -5.284 0.088
4 H PHE 2 HN PHE 2 -3.584 -2.582 0.302
5 HA PHE 2 HA PHE 2 -3.126 -2.325 3.173
6 HB2 PHE 2 HB2 PHE 2 -0.914 -1.993 2.274
7 HB3 PHE 2 HB1 PHE 2 -1.520 -0.852 1.094
8 HD1 PHE 2 HD1 PHE 2 -1.873 -1.168 4.798
9 HD2 PHE 2 HD2 PHE 2 -0.698 1.234 1.501
10 HE1 PHE 2 HE1 PHE 2 -1.289 0.652 6.335
11 HE2 PHE 2 HE2 PHE 2 -0.118 3.054 3.010
12 HZ PHE 2 HZ PHE 2 -0.404 2.777 5.446
13 H CYS 3 HN CYS 3 -4.639 -1.000 4.013
14 HA CYS 3 HA CYS 3 -6.005 0.718 2.149
15 HB2 CYS 3 HB2 CYS 3 -6.901 -0.336 4.831
16 HB3 CYS 3 HB1 CYS 3 -7.850 0.729 3.798
17 H TRP 4 HN TRP 4 -5.806 2.732 2.316
18 HA TRP 4 HA TRP 4 -4.763 4.096 4.649
19 HB2 TRP 4 HB2 TRP 4 -2.697 3.342 3.794
20 HB3 TRP 4 HB1 TRP 4 -3.207 3.555 2.131
21 HD1 TRP 4 HD1 TRP 4 -2.026 5.597 5.152
22 HE1 TRP 4 HE1 TRP 4 -1.075 7.831 4.267
23 HE3 TRP 4 3HE TRP 4 -3.191 5.033 0.252
24 HZ2 TRP 4 HZ2 TRP 4 -0.886 9.135 1.840
25 HZ3 TRP 4 HZ3 TRP 4 -2.599 6.764 -1.326
26 HH2 TRP 4 2HH TRP 4 -1.448 8.827 -0.574
27 H HIS 5 HN HIS 5 -4.826 6.516 4.319
28 HA HIS 5 HA HIS 5 -5.924 8.346 3.838
29 HB2 HIS 5 HB2 HIS 5 -4.382 7.768 1.802
30 HB3 HIS 5 HB1 HIS 5 -5.916 7.607 0.952
31 HD1 HIS 5 HD1 HIS 5 -6.507 9.756 -0.200
32 HD2 HIS 5 HD2 HIS 5 -4.536 10.260 3.393
33 HE1 HIS 5 HE1 HIS 5 -6.325 12.250 0.116
34 H HIS 6 HN HIS 6 -7.634 5.979 4.281
35 HA HIS 6 HA HIS 6 -9.805 5.332 4.251
36 HB2 HIS 6 HB2 HIS 6 -10.265 8.102 3.111
37 HB3 HIS 6 HB1 HIS 6 -11.575 6.988 3.463
38 HD1 HIS 6 HD1 HIS 6 -12.596 7.339 5.713
39 HD2 HIS 6 HD2 HIS 6 -8.645 8.617 5.564
40 HE1 HIS 6 HE1 HIS 6 -12.105 8.376 7.969
41 H SER 7 HN SER 7 -7.975 5.158 1.902
42 HA SER 7 HA SER 7 -9.912 4.139 -0.020
43 HB2 SER 7 HB2 SER 7 -8.692 6.149 -0.878
44 HB3 SER 7 HB1 SER 7 -7.161 5.382 -0.478
45 HG SER 7 HG SER 7 -7.232 4.639 -2.372
46 H CYS 8 HN CYS 8 -8.141 2.518 -1.401
47 HA CYS 8 HA CYS 8 -6.360 1.256 0.415
48 HB2 CYS 8 HB2 CYS 8 -8.689 0.385 1.056
49 HB3 CYS 8 HB1 CYS 8 -8.683 -0.402 -0.527
50 H VAL 9 HN VAL 9 -5.007 -0.051 -0.525
51 HA VAL 9 HA VAL 9 -5.204 -0.223 -3.416
52 HB VAL 9 HB VAL 9 -2.715 -0.436 -3.478
53 HG11 VAL 9 HG11 VAL 9 -3.695 1.734 -3.974
54 HG12 VAL 9 HG12 VAL 9 -2.181 1.923 -3.059
55 HG13 VAL 9 3HG1 VAL 9 -3.723 2.118 -2.239
56 HG21 VAL 9 HG21 VAL 9 -2.240 -1.078 -1.161
57 HG22 VAL 9 HG22 VAL 9 -2.744 0.550 -0.627
58 HG23 VAL 9 HG23 VAL 9 -1.345 0.358 -1.652
59 HA PRO 10 HA PRO 10 -5.744 -4.500 -2.681
60 HB2 PRO 10 HB2 PRO 10 -5.366 -5.408 -5.227
61 HB3 PRO 10 HB1 PRO 10 -6.839 -4.596 -4.692
62 HG2 PRO 10 HG2 PRO 10 -4.540 -3.518 -6.248
63 HG3 PRO 10 HG1 PRO 10 -6.268 -3.170 -6.410
64 HD2 PRO 10 HD2 PRO 10 -4.481 -1.518 -5.163
65 HD3 PRO 10 HD1 PRO 10 -6.203 -1.543 -4.770
66 H SER 11 HN SER 11 -4.677 -6.620 -3.005
67 HA SER 11 HA SER 11 -1.979 -6.488 -2.270
68 HB2 SER 11 HB2 SER 11 -2.230 -9.038 -2.563
69 HB3 SER 11 HB1 SER 11 -3.190 -8.234 -1.328
70 HG SER 11 HG SER 11 -3.975 -9.163 -3.875
71 H GLY 12 HN GLY 12 -0.182 -6.667 -3.413
72 HA2 GLY 12 HA2 GLY 12 1.055 -7.501 -5.323
73 HA3 GLY 12 HA1 GLY 12 -0.406 -7.296 -6.285
74 H THR 13 HN THR 13 -0.814 -4.736 -4.717
75 HA THR 13 HA THR 13 0.227 -3.005 -6.689
76 HB THR 13 HB THR 13 -1.023 -2.388 -4.040
77 HG1 THR 13 HG1 THR 13 -2.600 -3.337 -5.025
78 HG21 THR 13 HG21 THR 13 -1.769 -0.239 -5.130
79 HG22 THR 13 HG22 THR 13 -0.708 -0.617 -6.487
80 HG23 THR 13 HG23 THR 13 -0.038 -0.368 -4.871
81 H CYS 14 HN CYS 14 1.518 -1.277 -6.359
82 HA CYS 14 HA CYS 14 3.410 -1.142 -4.169
83 HB2 CYS 14 HB2 CYS 14 4.184 -1.261 -7.104
84 HB3 CYS 14 HB1 CYS 14 5.280 -0.866 -5.789
85 H ALA 15 HN ALA 15 3.729 0.988 -3.722
86 HA ALA 15 HA ALA 15 3.278 2.971 -5.754
87 HB1 ALA 15 HB1 ALA 15 1.468 4.142 -4.618
88 HB2 ALA 15 HB2 ALA 15 1.414 2.888 -3.381
89 HB3 ALA 15 HB3 ALA 15 0.973 2.503 -5.043
90 H ASP 16 HN ASP 16 3.550 5.230 -4.836
91 HA ASP 16 HA ASP 16 5.674 5.190 -2.947
92 HB2 ASP 16 HB2 ASP 16 5.863 7.556 -3.595
93 HB3 ASP 16 HB1 ASP 16 6.071 6.461 -4.956
94 H PHE 17 HN PHE 17 5.366 5.614 -0.932
95 HA PHE 17 HA PHE 17 3.102 7.255 -0.096
96 HB2 PHE 17 HB2 PHE 17 4.249 4.812 1.327
97 HB3 PHE 17 HB1 PHE 17 2.978 5.803 1.955
98 HD1 PHE 17 HD1 PHE 17 0.672 5.759 0.969
99 HD2 PHE 17 HD2 PHE 17 3.753 3.157 -0.454
100 HE1 PHE 17 HE1 PHE 17 -0.975 4.406 -0.170
101 HE2 PHE 17 HE2 PHE 17 2.095 1.840 -1.580
102 HZ PHE 17 HZ PHE 17 -0.286 2.441 -1.454
103 HA PRO 18 HA PRO 18 6.266 9.535 2.056
104 HB2 PRO 18 HB2 PRO 18 4.755 9.803 4.519
105 HB3 PRO 18 HB1 PRO 18 5.076 11.024 3.289
106 HG2 PRO 18 HG2 PRO 18 2.615 9.957 3.751
107 HG3 PRO 18 HG1 PRO 18 3.128 10.601 2.182
108 HD2 PRO 18 HD2 PRO 18 2.946 7.756 3.100
109 HD3 PRO 18 HD1 PRO 18 2.559 8.467 1.519
110 H TRP 19 HN TRP 19 7.718 9.545 3.868
111 HA TRP 19 HA TRP 19 8.670 7.100 4.830
112 HB2 TRP 19 HB2 TRP 19 9.867 9.331 4.789
113 HB3 TRP 19 HB1 TRP 19 8.899 9.808 6.169
114 HD1 TRP 19 HD1 TRP 19 11.875 7.637 5.212
115 HE1 TRP 19 HE1 TRP 19 13.089 6.899 7.337
116 HE3 TRP 19 3HE TRP 19 8.512 9.281 8.603
117 HZ2 TRP 19 HZ2 TRP 19 12.673 7.010 10.144
118 HZ3 TRP 19 HZ3 TRP 19 8.970 8.947 11.029
119 HH2 TRP 19 2HH TRP 19 11.013 7.827 11.767
120 HA PRO 20 HA PRO 20 9.430 5.973 6.358
121 HB2 PRO 20 HB2 PRO 20 9.181 3.897 7.982
122 HB3 PRO 20 HB1 PRO 20 9.541 5.508 8.614
123 HG2 PRO 20 HG2 PRO 20 7.010 3.960 8.725
124 HG3 PRO 20 HG1 PRO 20 7.634 5.175 9.850
125 HD2 PRO 20 HD2 PRO 20 5.725 5.545 7.745
126 HD3 PRO 20 HD1 PRO 20 6.400 6.782 8.823
127 H LEU 21 HN LEU 21 6.651 5.549 4.920
128 HA LEU 21 HA LEU 21 6.731 2.714 4.440
129 HB2 LEU 21 HB2 LEU 21 5.070 4.963 3.332
130 HB3 LEU 21 HB1 LEU 21 4.916 3.306 2.787
131 HG LEU 21 HG LEU 21 4.448 4.152 5.657
132 HD11 LEU 21 HD11 LEU 21 2.074 3.989 5.127
133 HD12 LEU 21 HD12 LEU 21 2.471 3.657 3.442
134 HD13 LEU 21 HD13 LEU 21 2.833 5.244 4.137
135 HD21 LEU 21 HD21 LEU 21 4.999 1.787 5.276
136 HD22 LEU 21 HD22 LEU 21 3.682 1.716 4.095
137 HD23 LEU 21 HD23 LEU 21 3.322 2.018 5.793
138 H GLY 22 HN GLY 22 7.098 5.659 2.467
139 HA2 GLY 22 HA2 GLY 22 8.409 6.050 0.612
140 HA3 GLY 22 HA1 GLY 22 9.331 4.615 1.059
141 H HIS 23 HN HIS 23 9.449 3.452 -0.790
142 HA HIS 23 HA HIS 23 7.025 3.106 -2.346
143 HB2 HIS 23 HB2 HIS 23 9.229 3.346 -3.551
144 HB3 HIS 23 HB1 HIS 23 9.760 1.860 -2.778
145 HD1 HIS 23 HD1 HIS 23 7.527 3.122 -5.497
146 HD2 HIS 23 HD2 HIS 23 8.719 -0.442 -3.795
147 HE1 HIS 23 HE1 HIS 23 6.686 1.309 -7.047
148 H GLN 24 HN GLN 24 5.650 1.682 -1.697
149 HA GLN 24 HA GLN 24 6.634 -0.702 -0.281
150 HB2 GLN 24 HB2 GLN 24 4.163 0.928 0.189
151 HB3 GLN 24 HB1 GLN 24 4.400 -0.675 0.857
152 HG2 GLN 24 HG2 GLN 24 6.228 1.652 1.379
153 HG3 GLN 24 HG1 GLN 24 4.888 1.165 2.421
154 HE21 GLN 24 1HE2 GLN 24 5.053 -0.723 3.549
155 HE22 GLN 24 2HE2 GLN 24 6.574 -1.497 3.791
156 H CYS 25 HN CYS 25 5.812 -2.615 -0.826
157 HA CYS 25 HA CYS 25 3.696 -2.710 -2.819
158 HB2 CYS 25 HB2 CYS 25 6.032 -4.620 -2.427
159 HB3 CYS 25 HB1 CYS 25 4.684 -4.902 -3.519
160 H PHE 26 HN PHE 26 2.129 -4.384 -2.432
161 HA PHE 26 HA PHE 26 2.095 -5.097 0.438
162 HB2 PHE 26 HB2 PHE 26 -0.263 -4.168 -1.163
163 HB3 PHE 26 HB1 PHE 26 -0.208 -4.473 0.569
164 HD1 PHE 26 HD1 PHE 26 1.553 -3.128 1.884
165 HD2 PHE 26 HD2 PHE 26 0.071 -2.022 -1.958
166 HE1 PHE 26 HE1 PHE 26 2.278 -0.808 2.246
167 HE2 PHE 26 HE2 PHE 26 0.793 0.233 -1.591
168 HZ PHE 26 HZ PHE 26 1.886 0.868 0.477
169 HA PRO 27 HA PRO 27 1.311 -9.149 -1.513
170 HB2 PRO 27 HB2 PRO 27 1.719 -9.983 1.294
171 HB3 PRO 27 HB1 PRO 27 2.502 -10.581 -0.171
172 HG2 PRO 27 HG2 PRO 27 3.824 -9.048 1.566
173 HG3 PRO 27 HG1 PRO 27 4.073 -8.878 -0.179
174 HD2 PRO 27 HD2 PRO 27 2.470 -7.178 1.684
175 HD3 PRO 27 HD1 PRO 27 3.522 -6.694 0.335
176 H ASP 28 HN ASP 28 -0.107 -7.585 1.256
177 HA ASP 28 HA ASP 28 -2.460 -9.352 1.060
178 HB2 ASP 28 HB2 ASP 28 -1.413 -7.828 3.459
179 HB3 ASP 28 HB1 ASP 28 -2.956 -8.661 3.416