Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602300 | 2n2s RC | 25610 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HT1 SER 1 -2.949 -3.565 7.263
2 H2 SER 1 HT2 SER 1 -3.432 -3.868 5.670
3 H3 SER 1 HT3 SER 1 -3.750 -4.998 6.886
4 HA SER 1 HA SER 1 -5.711 -3.751 6.261
5 HB2 SER 1 HB3 SER 1 -4.705 -3.204 9.093
6 HB3 SER 1 HB2 SER 1 -6.396 -3.233 8.583
7 HG SER 1 HG SER 1 -5.256 -5.230 9.555
8 H CYS 2 H CYS 2 -5.441 -2.080 4.786
9 HA CYS 2 HA CYS 2 -5.307 0.617 5.884
10 HB2 CYS 2 HB3 CYS 2 -3.449 -0.222 3.610
11 HB3 CYS 2 HB2 CYS 2 -3.622 1.395 4.263
12 H GLY 3 H GLY 3 -5.675 2.204 3.974
13 HA2 GLY 3 HA3 GLY 3 -8.353 1.584 3.150
14 HA3 GLY 3 HA2 GLY 3 -7.505 3.107 2.957
15 H SER 4 H SER 4 -5.397 1.082 1.567
16 HA SER 4 HA SER 4 -4.761 0.561 -0.517
17 HB2 SER 4 HB3 SER 4 -7.706 0.532 -1.307
18 HB3 SER 4 HB2 SER 4 -6.379 -0.277 -2.147
19 HG SER 4 HG SER 4 -7.201 -0.833 0.518
20 H GLU 5 H GLU 5 -5.473 3.361 0.413
21 HA GLU 5 HA GLU 5 -6.181 4.787 -2.060
22 HB2 GLU 5 HB3 GLU 5 -7.464 5.285 -0.006
23 HB3 GLU 5 HB2 GLU 5 -5.983 5.721 0.838
24 HG2 GLU 5 HG3 GLU 5 -5.675 7.639 -0.693
25 HG3 GLU 5 HG2 GLU 5 -7.158 7.199 -1.544
26 H CYS 6 H CYS 6 -3.491 4.256 0.159
27 HA CYS 6 HA CYS 6 -1.730 6.022 -1.384
28 HB2 CYS 6 HB3 CYS 6 -1.424 4.520 1.226
29 HB3 CYS 6 HB2 CYS 6 -0.058 5.200 0.381
30 H ALA 7 H ALA 7 -2.897 3.768 -2.633
31 HA ALA 7 HA ALA 7 -0.607 2.087 -3.335
32 HB1 ALA 7 HB1 ALA 7 -2.804 1.036 -2.990
33 HB2 ALA 7 HB2 ALA 7 -2.203 0.790 -4.632
34 HB3 ALA 7 HB3 ALA 7 -3.460 1.992 -4.319
35 HA PRO 8 HA PRO 8 -2.018 4.484 -7.494
36 HB2 PRO 8 HB3 PRO 8 -1.498 7.341 -6.786
37 HB3 PRO 8 HB2 PRO 8 -2.935 6.609 -7.499
38 HG2 PRO 8 HG3 PRO 8 -2.937 7.551 -4.984
39 HG3 PRO 8 HG2 PRO 8 -3.879 6.111 -5.431
40 HD2 PRO 8 HD3 PRO 8 -1.148 6.220 -4.109
41 HD3 PRO 8 HD2 PRO 8 -2.594 5.272 -3.676
42 H GLU 9 H GLU 9 0.476 5.816 -5.416
43 HA GLU 9 HA GLU 9 1.917 7.167 -7.387
44 HB2 GLU 9 HB3 GLU 9 2.581 6.330 -4.537
45 HB3 GLU 9 HB2 GLU 9 3.624 7.352 -5.503
46 HG2 GLU 9 HG3 GLU 9 0.775 8.031 -4.730
47 HG3 GLU 9 HG2 GLU 9 2.214 8.619 -3.896
48 HA PRO 10 HA PRO 10 4.858 3.973 -8.809
49 HB2 PRO 10 HB3 PRO 10 7.087 5.624 -9.182
50 HB3 PRO 10 HB2 PRO 10 5.773 5.454 -10.364
51 HG2 PRO 10 HG3 PRO 10 6.175 7.591 -8.295
52 HG3 PRO 10 HG2 PRO 10 5.678 7.750 -9.998
53 HD2 PRO 10 HD3 PRO 10 3.866 7.882 -8.032
54 HD3 PRO 10 HD2 PRO 10 3.482 7.064 -9.563
55 H ASP 11 H ASP 11 5.602 6.317 -6.294
56 HA ASP 11 HA ASP 11 6.886 4.195 -4.676
57 HB2 ASP 11 HB3 ASP 11 8.466 6.046 -5.220
58 HB3 ASP 11 HB2 ASP 11 7.348 7.219 -4.530
59 H CYS 12 H CYS 12 4.663 3.593 -4.277
60 HA CYS 12 HA CYS 12 2.692 5.088 -2.912
61 HB2 CYS 12 HB3 CYS 12 1.782 2.964 -2.267
62 HB3 CYS 12 HB2 CYS 12 2.383 2.788 -3.901
63 H TRP 13 H TRP 13 5.636 3.471 -1.796
64 HA TRP 13 HA TRP 13 5.528 3.259 0.902
65 HB2 TRP 13 HB3 TRP 13 7.817 4.501 -0.667
66 HB3 TRP 13 HB2 TRP 13 7.931 3.745 0.864
67 HD1 TRP 13 HD1 TRP 13 7.987 2.980 -2.784
68 HE1 TRP 13 HE1 TRP 13 8.448 0.467 -3.142
69 HE3 TRP 13 HE3 TRP 13 7.490 1.442 1.989
70 HZ2 TRP 13 HZ2 TRP 13 8.600 -1.876 -1.561
71 HZ3 TRP 13 HZ3 TRP 13 7.787 -0.965 2.524
72 HH2 TRP 13 HH2 TRP 13 8.339 -2.584 0.784
73 H GLY 14 H GLY 14 5.792 6.183 -1.003
74 HA2 GLY 14 HA3 GLY 14 6.316 7.985 1.267
75 HA3 GLY 14 HA2 GLY 14 6.252 8.418 -0.436
76 H CYS 15 H CYS 15 3.900 6.727 1.531
77 HA CYS 15 HA CYS 15 1.985 8.812 1.795
78 HB2 CYS 15 HB3 CYS 15 1.845 8.040 -0.663
79 HB3 CYS 15 HB2 CYS 15 1.252 6.514 -0.079
80 H CYS 16 H CYS 16 2.650 5.401 1.534
81 HA CYS 16 HA CYS 16 0.528 4.474 3.246
82 HB2 CYS 16 HB3 CYS 16 1.031 3.165 1.374
83 HB3 CYS 16 HB2 CYS 16 2.748 3.258 1.622
84 H LEU 17 H LEU 17 4.065 4.752 3.492
85 HA LEU 17 HA LEU 17 4.390 3.295 5.885
86 HB2 LEU 17 HB3 LEU 17 6.161 5.392 4.609
87 HB3 LEU 17 HB2 LEU 17 6.635 4.514 6.055
88 HG LEU 17 HG LEU 17 6.094 3.280 3.322
89 HD11 LEU 17 HD11 LEU 17 8.213 4.511 3.417
90 HD12 LEU 17 HD12 LEU 17 8.488 2.775 3.292
91 HD13 LEU 17 HD13 LEU 17 8.696 3.589 4.845
92 HD21 LEU 17 HD21 LEU 17 6.869 1.155 4.302
93 HD22 LEU 17 HD22 LEU 17 5.406 1.723 5.097
94 HD23 LEU 17 HD23 LEU 17 6.969 1.909 5.896
95 H VAL 18 H VAL 18 2.930 6.377 5.670
96 HA VAL 18 HA VAL 18 3.837 7.338 8.287
97 HB VAL 18 HB VAL 18 3.325 8.991 6.500
98 HG11 VAL 18 HG11 VAL 18 1.019 9.454 5.777
99 HG12 VAL 18 HG12 VAL 18 0.429 8.099 6.743
100 HG13 VAL 18 HG13 VAL 18 1.494 7.806 5.370
101 HG21 VAL 18 HG21 VAL 18 1.423 9.260 8.867
102 HG22 VAL 18 HG22 VAL 18 1.980 10.581 7.832
103 HG23 VAL 18 HG23 VAL 18 3.129 9.721 8.855
104 H GLN 19 H GLN 19 1.471 5.207 7.117
105 HA GLN 19 HA GLN 19 -0.159 5.256 9.582
106 HB2 GLN 19 HB3 GLN 19 -2.211 5.227 8.137
107 HB3 GLN 19 HB2 GLN 19 -1.308 6.716 7.999
108 HG2 GLN 19 HG3 GLN 19 -0.255 5.745 5.926
109 HG3 GLN 19 HG2 GLN 19 -1.417 4.435 6.011
110 HE21 GLN 19 HE21 GLN 19 -0.926 6.564 4.021
111 HE22 GLN 19 HE22 GLN 19 -2.463 7.327 3.781
112 H CYS 20 H CYS 20 1.649 3.450 7.479
113 HA CYS 20 HA CYS 20 0.394 0.909 8.221
114 HB2 CYS 20 HB3 CYS 20 1.093 1.590 5.336
115 HB3 CYS 20 HB2 CYS 20 0.452 0.077 5.915
116 H ALA 21 H ALA 21 1.807 -0.923 7.562
117 HA ALA 21 HA ALA 21 4.598 -0.394 8.255
118 HB1 ALA 21 HB1 ALA 21 3.371 -2.191 9.426
119 HB2 ALA 21 HB2 ALA 21 4.734 -2.851 8.523
120 HB3 ALA 21 HB3 ALA 21 3.094 -3.022 7.893
121 HA PRO 22 HA PRO 22 6.517 -1.048 4.109
122 HB2 PRO 22 HB3 PRO 22 8.038 -3.171 5.670
123 HB3 PRO 22 HB2 PRO 22 8.654 -1.999 4.481
124 HG2 PRO 22 HG3 PRO 22 8.982 -1.560 7.076
125 HG3 PRO 22 HG2 PRO 22 8.571 -0.217 5.979
126 HD2 PRO 22 HD3 PRO 22 6.843 -1.593 7.984
127 HD3 PRO 22 HD2 PRO 22 6.764 0.069 7.393
128 H SER 23 H SER 23 5.360 -3.859 6.006
129 HA SER 23 HA SER 23 5.226 -5.779 3.964
130 HB2 SER 23 HB3 SER 23 3.307 -5.424 6.304
131 HB3 SER 23 HB2 SER 23 3.530 -6.900 5.364
132 HG SER 23 HG SER 23 5.790 -6.764 6.045
133 H ILE 24 H ILE 24 2.932 -3.222 4.860
134 HA ILE 24 HA ILE 24 0.815 -4.012 3.088
135 HB ILE 24 HB ILE 24 1.330 -1.338 4.485
136 HG12 ILE 24 HG13 ILE 24 1.042 -3.078 6.173
137 HG13 ILE 24 HG12 ILE 24 -0.417 -2.084 6.127
138 HG21 ILE 24 HG21 ILE 24 -0.181 -1.035 2.597
139 HG22 ILE 24 HG22 ILE 24 -1.054 -0.847 4.111
140 HG23 ILE 24 HG23 ILE 24 -1.223 -2.335 3.180
141 HD11 ILE 24 HD11 ILE 24 -0.097 -4.829 4.902
142 HD12 ILE 24 HD12 ILE 24 -1.556 -3.835 4.841
143 HD13 ILE 24 HD13 ILE 24 -0.957 -4.429 6.388
144 H CYS 25 H CYS 25 3.253 -1.418 3.101
145 HA CYS 25 HA CYS 25 2.487 -0.149 0.696
146 HB2 CYS 25 HB3 CYS 25 5.250 -0.064 1.927
147 HB3 CYS 25 HB2 CYS 25 4.435 1.201 1.022
148 H ALA 26 H ALA 26 4.793 -2.729 1.412
149 HA ALA 26 HA ALA 26 6.067 -3.017 -1.071
150 HB1 ALA 26 HB1 ALA 26 5.331 -5.214 0.900
151 HB2 ALA 26 HB2 ALA 26 6.792 -4.226 0.946
152 HB3 ALA 26 HB3 ALA 26 6.527 -5.345 -0.392
153 H GLY 27 H GLY 27 2.815 -3.824 -0.068
154 HA2 GLY 27 HA3 GLY 27 2.299 -5.730 -2.236
155 HA3 GLY 27 HA2 GLY 27 1.185 -5.230 -0.972
156 H TRP 28 H TRP 28 1.929 -2.344 -1.590
157 HA TRP 28 HA TRP 28 -0.129 -1.969 -3.639
158 HB2 TRP 28 HB3 TRP 28 1.114 -0.029 -1.660
159 HB3 TRP 28 HB2 TRP 28 -0.132 0.412 -2.824
160 HD1 TRP 28 HD1 TRP 28 -0.062 -0.061 0.633
161 HE1 TRP 28 HE1 TRP 28 -2.233 -1.050 1.606
162 HE3 TRP 28 HE3 TRP 28 -2.087 -2.021 -3.654
163 HZ2 TRP 28 HZ2 TRP 28 -4.447 -2.519 0.708
164 HZ3 TRP 28 HZ3 TRP 28 -4.224 -3.225 -3.499
165 HH2 TRP 28 HH2 TRP 28 -5.382 -3.468 -1.362
166 H CYS 29 H CYS 29 3.273 -1.120 -3.045
167 HA CYS 29 HA CYS 29 3.581 0.404 -5.447
168 HB2 CYS 29 HB3 CYS 29 5.529 -0.779 -3.471
169 HB3 CYS 29 HB2 CYS 29 6.118 -0.060 -4.965
170 H GLY 30 H GLY 30 5.181 -2.739 -4.695
171 HA2 GLY 30 HA3 GLY 30 5.224 -3.391 -7.577
172 HA3 GLY 30 HA2 GLY 30 6.185 -4.146 -6.317
173 H GLY 31 H GLY 31 4.477 -4.972 -4.492
174 HA2 GLY 31 HA3 GLY 31 2.395 -6.230 -4.211
175 HA3 GLY 31 HA2 GLY 31 2.606 -6.852 -5.846
176 H SER 32 H SER 32 4.110 -6.747 -2.634
177 HA SER 32 HA SER 32 5.391 -8.136 -1.421
178 HB2 SER 32 HB3 SER 32 3.644 -9.839 -1.782
179 HB3 SER 32 HB2 SER 32 4.362 -10.294 -3.325
180 HG SER 32 HG SER 32 6.190 -11.021 -2.195
Start of MODEL 2
1 H1 SER 1 HT1 SER 1 -5.544 -2.489 9.647
2 H2 SER 1 HT2 SER 1 -6.468 -3.787 9.080
3 H3 SER 1 HT3 SER 1 -6.987 -2.199 8.818
4 HA SER 1 HA SER 1 -4.534 -3.401 7.693
5 HB2 SER 1 HB3 SER 1 -5.808 -3.267 5.513
6 HB3 SER 1 HB2 SER 1 -6.529 -4.388 6.668
7 HG SER 1 HG SER 1 -7.699 -2.360 5.472
8 H CYS 2 H CYS 2 -4.137 -1.913 5.540
9 HA CYS 2 HA CYS 2 -3.691 0.823 6.414
10 HB2 CYS 2 HB3 CYS 2 -2.164 -0.526 4.865
11 HB3 CYS 2 HB2 CYS 2 -3.325 -0.280 3.599
12 H GLY 3 H GLY 3 -4.322 2.570 4.650
13 HA2 GLY 3 HA3 GLY 3 -7.178 2.723 4.462
14 HA3 GLY 3 HA2 GLY 3 -6.008 3.844 3.780
15 H SER 4 H SER 4 -4.590 1.614 2.387
16 HA SER 4 HA SER 4 -4.493 0.540 0.414
17 HB2 SER 4 HB3 SER 4 -7.518 0.261 0.628
18 HB3 SER 4 HB2 SER 4 -6.448 -0.707 -0.391
19 HG SER 4 HG SER 4 -6.870 -0.808 2.359
20 H GLU 5 H GLU 5 -5.569 3.514 0.749
21 HA GLU 5 HA GLU 5 -6.318 4.029 -2.070
22 HB2 GLU 5 HB3 GLU 5 -7.822 4.863 -0.212
23 HB3 GLU 5 HB2 GLU 5 -6.497 5.875 0.353
24 HG2 GLU 5 HG3 GLU 5 -6.521 7.106 -1.799
25 HG3 GLU 5 HG2 GLU 5 -7.858 6.104 -2.360
26 H CYS 6 H CYS 6 -3.810 4.286 0.263
27 HA CYS 6 HA CYS 6 -2.109 6.000 -1.372
28 HB2 CYS 6 HB3 CYS 6 -1.842 4.704 1.356
29 HB3 CYS 6 HB2 CYS 6 -0.498 5.452 0.536
30 H ALA 7 H ALA 7 -2.970 3.703 -2.634
31 HA ALA 7 HA ALA 7 -0.482 2.142 -2.984
32 HB1 ALA 7 HB1 ALA 7 -2.439 0.862 -2.253
33 HB2 ALA 7 HB2 ALA 7 -1.893 0.364 -3.854
34 HB3 ALA 7 HB3 ALA 7 -3.325 1.389 -3.686
35 HA PRO 8 HA PRO 8 -2.317 3.908 -7.362
36 HB2 PRO 8 HB3 PRO 8 -0.944 6.572 -6.947
37 HB3 PRO 8 HB2 PRO 8 -2.495 6.211 -7.719
38 HG2 PRO 8 HG3 PRO 8 -2.439 7.318 -5.320
39 HG3 PRO 8 HG2 PRO 8 -3.624 6.036 -5.673
40 HD2 PRO 8 HD3 PRO 8 -1.003 5.807 -4.186
41 HD3 PRO 8 HD2 PRO 8 -2.594 5.138 -3.773
42 H GLU 9 H GLU 9 0.675 5.235 -5.984
43 HA GLU 9 HA GLU 9 2.097 4.914 -8.463
44 HB2 GLU 9 HB3 GLU 9 2.930 6.040 -5.750
45 HB3 GLU 9 HB2 GLU 9 3.896 6.103 -7.209
46 HG2 GLU 9 HG3 GLU 9 1.246 7.484 -6.739
47 HG3 GLU 9 HG2 GLU 9 2.829 8.255 -6.829
48 HA PRO 10 HA PRO 10 4.593 1.291 -7.052
49 HB2 PRO 10 HB3 PRO 10 6.938 1.839 -8.400
50 HB3 PRO 10 HB2 PRO 10 5.507 1.165 -9.209
51 HG2 PRO 10 HG3 PRO 10 6.387 4.046 -9.046
52 HG3 PRO 10 HG2 PRO 10 5.875 3.114 -10.480
53 HD2 PRO 10 HD3 PRO 10 4.167 4.770 -9.254
54 HD3 PRO 10 HD2 PRO 10 3.600 3.208 -9.890
55 H ASP 11 H ASP 11 5.339 4.630 -6.643
56 HA ASP 11 HA ASP 11 7.010 4.116 -4.266
57 HB2 ASP 11 HB3 ASP 11 8.033 5.601 -5.962
58 HB3 ASP 11 HB2 ASP 11 6.628 6.652 -5.932
59 H CYS 12 H CYS 12 4.596 3.341 -3.863
60 HA CYS 12 HA CYS 12 2.639 5.161 -2.876
61 HB2 CYS 12 HB3 CYS 12 1.657 3.221 -1.866
62 HB3 CYS 12 HB2 CYS 12 2.219 2.753 -3.459
63 H TRP 13 H TRP 13 5.640 4.107 -1.624
64 HA TRP 13 HA TRP 13 5.545 3.975 1.072
65 HB2 TRP 13 HB3 TRP 13 7.647 5.411 -0.580
66 HB3 TRP 13 HB2 TRP 13 7.872 4.744 0.986
67 HD1 TRP 13 HD1 TRP 13 8.229 3.877 -2.571
68 HE1 TRP 13 HE1 TRP 13 8.775 1.374 -2.854
69 HE3 TRP 13 HE3 TRP 13 7.256 2.361 2.138
70 HZ2 TRP 13 HZ2 TRP 13 8.798 -0.961 -1.235
71 HZ3 TRP 13 HZ3 TRP 13 7.548 -0.031 2.748
72 HH2 TRP 13 HH2 TRP 13 8.307 -1.659 1.079
73 H GLY 14 H GLY 14 5.346 6.840 -0.916
74 HA2 GLY 14 HA3 GLY 14 5.670 8.725 1.330
75 HA3 GLY 14 HA2 GLY 14 5.578 9.134 -0.380
76 H CYS 15 H CYS 15 3.306 7.046 1.281
77 HA CYS 15 HA CYS 15 1.257 9.076 1.649
78 HB2 CYS 15 HB3 CYS 15 1.193 8.149 -0.801
79 HB3 CYS 15 HB2 CYS 15 0.629 6.664 -0.096
80 H CYS 16 H CYS 16 2.170 5.711 1.541
81 HA CYS 16 HA CYS 16 0.078 4.718 3.268
82 HB2 CYS 16 HB3 CYS 16 0.695 3.428 1.384
83 HB3 CYS 16 HB2 CYS 16 2.392 3.524 1.729
84 H LEU 17 H LEU 17 3.617 5.216 3.512
85 HA LEU 17 HA LEU 17 4.012 3.676 5.866
86 HB2 LEU 17 HB3 LEU 17 5.670 5.929 4.676
87 HB3 LEU 17 HB2 LEU 17 6.193 5.025 6.088
88 HG LEU 17 HG LEU 17 5.742 3.872 3.312
89 HD11 LEU 17 HD11 LEU 17 7.756 5.262 3.458
90 HD12 LEU 17 HD12 LEU 17 8.171 3.559 3.278
91 HD13 LEU 17 HD13 LEU 17 8.311 4.336 4.858
92 HD21 LEU 17 HD21 LEU 17 5.175 2.210 5.037
93 HD22 LEU 17 HD22 LEU 17 6.728 2.475 5.833
94 HD23 LEU 17 HD23 LEU 17 6.670 1.775 4.213
95 H VAL 18 H VAL 18 2.628 6.830 5.647
96 HA VAL 18 HA VAL 18 3.586 7.972 8.088
97 HB VAL 18 HB VAL 18 2.675 9.361 6.255
98 HG11 VAL 18 HG11 VAL 18 0.272 9.516 5.791
99 HG12 VAL 18 HG12 VAL 18 -0.051 8.229 6.955
100 HG13 VAL 18 HG13 VAL 18 0.872 7.883 5.493
101 HG21 VAL 18 HG21 VAL 18 1.060 9.715 8.815
102 HG22 VAL 18 HG22 VAL 18 1.327 10.954 7.581
103 HG23 VAL 18 HG23 VAL 18 2.688 10.340 8.522
104 H GLN 19 H GLN 19 1.339 5.492 7.504
105 HA GLN 19 HA GLN 19 0.072 5.649 10.153
106 HB2 GLN 19 HB3 GLN 19 -2.184 5.370 9.008
107 HB3 GLN 19 HB2 GLN 19 -1.433 6.931 8.746
108 HG2 GLN 19 HG3 GLN 19 -0.535 5.890 6.570
109 HG3 GLN 19 HG2 GLN 19 -1.722 4.628 6.820
110 HE21 GLN 19 HE21 GLN 19 -1.393 6.727 4.723
111 HE22 GLN 19 HE22 GLN 19 -2.927 7.532 4.662
112 H CYS 20 H CYS 20 0.745 3.884 7.194
113 HA CYS 20 HA CYS 20 0.163 1.265 8.422
114 HB2 CYS 20 HB3 CYS 20 0.815 1.712 5.490
115 HB3 CYS 20 HB2 CYS 20 -0.112 0.435 6.213
116 H ALA 21 H ALA 21 1.772 -0.441 8.020
117 HA ALA 21 HA ALA 21 4.473 0.487 8.608
118 HB1 ALA 21 HB1 ALA 21 4.919 -1.899 9.094
119 HB2 ALA 21 HB2 ALA 21 3.323 -2.327 8.471
120 HB3 ALA 21 HB3 ALA 21 3.468 -1.340 9.927
121 HA PRO 22 HA PRO 22 6.506 -0.542 4.537
122 HB2 PRO 22 HB3 PRO 22 8.310 -2.192 6.345
123 HB3 PRO 22 HB2 PRO 22 8.750 -1.092 5.016
124 HG2 PRO 22 HG3 PRO 22 9.024 -0.313 7.543
125 HG3 PRO 22 HG2 PRO 22 8.442 0.820 6.300
126 HD2 PRO 22 HD3 PRO 22 6.888 -0.543 8.464
127 HD3 PRO 22 HD2 PRO 22 6.632 1.045 7.734
128 H SER 23 H SER 23 5.840 -3.013 6.997
129 HA SER 23 HA SER 23 5.775 -5.359 5.499
130 HB2 SER 23 HB3 SER 23 5.661 -5.295 7.955
131 HB3 SER 23 HB2 SER 23 4.082 -4.514 7.891
132 HG SER 23 HG SER 23 4.467 -7.011 6.649
133 H ILE 24 H ILE 24 3.510 -2.699 5.465
134 HA ILE 24 HA ILE 24 1.452 -4.225 4.008
135 HB ILE 24 HB ILE 24 1.304 -1.342 5.000
136 HG12 ILE 24 HG13 ILE 24 1.590 -2.842 6.947
137 HG13 ILE 24 HG12 ILE 24 -0.031 -2.147 6.901
138 HG21 ILE 24 HG21 ILE 24 -1.141 -1.688 4.734
139 HG22 ILE 24 HG22 ILE 24 -0.833 -3.282 4.053
140 HG23 ILE 24 HG23 ILE 24 -0.269 -1.838 3.210
141 HD11 ILE 24 HD11 ILE 24 -0.899 -4.289 6.035
142 HD12 ILE 24 HD12 ILE 24 -0.083 -4.483 7.585
143 HD13 ILE 24 HD13 ILE 24 0.730 -4.968 6.099
144 H CYS 25 H CYS 25 3.371 -1.222 3.794
145 HA CYS 25 HA CYS 25 2.377 -0.326 1.309
146 HB2 CYS 25 HB3 CYS 25 5.032 0.438 2.581
147 HB3 CYS 25 HB2 CYS 25 4.068 1.401 1.462
148 H ALA 26 H ALA 26 4.945 -2.562 2.088
149 HA ALA 26 HA ALA 26 6.376 -2.663 -0.325
150 HB1 ALA 26 HB1 ALA 26 5.733 -4.936 1.597
151 HB2 ALA 26 HB2 ALA 26 7.097 -3.824 1.726
152 HB3 ALA 26 HB3 ALA 26 7.007 -4.948 0.371
153 H GLY 27 H GLY 27 3.242 -4.015 0.566
154 HA2 GLY 27 HA3 GLY 27 2.994 -5.729 -1.778
155 HA3 GLY 27 HA2 GLY 27 1.804 -5.486 -0.507
156 H TRP 28 H TRP 28 2.193 -2.462 -0.927
157 HA TRP 28 HA TRP 28 0.177 -2.151 -3.034
158 HB2 TRP 28 HB3 TRP 28 1.369 -0.133 -1.083
159 HB3 TRP 28 HB2 TRP 28 0.076 0.223 -2.226
160 HD1 TRP 28 HD1 TRP 28 0.393 -0.394 1.276
161 HE1 TRP 28 HE1 TRP 28 -1.755 -1.352 2.301
162 HE3 TRP 28 HE3 TRP 28 -1.963 -1.973 -2.989
163 HZ2 TRP 28 HZ2 TRP 28 -4.088 -2.638 1.461
164 HZ3 TRP 28 HZ3 TRP 28 -4.151 -3.078 -2.783
165 HH2 TRP 28 HH2 TRP 28 -5.194 -3.403 -0.597
166 H CYS 29 H CYS 29 3.481 -1.166 -2.310
167 HA CYS 29 HA CYS 29 3.867 0.460 -4.635
168 HB2 CYS 29 HB3 CYS 29 5.633 -0.592 -2.437
169 HB3 CYS 29 HB2 CYS 29 6.383 0.137 -3.858
170 H GLY 30 H GLY 30 5.252 -2.711 -3.662
171 HA2 GLY 30 HA3 GLY 30 5.823 -3.311 -6.518
172 HA3 GLY 30 HA2 GLY 30 6.956 -3.660 -5.222
173 H GLY 31 H GLY 31 3.440 -4.141 -5.318
174 HA2 GLY 31 HA3 GLY 31 3.755 -7.083 -5.380
175 HA3 GLY 31 HA2 GLY 31 2.972 -6.354 -3.982
176 H SER 32 H SER 32 1.827 -8.221 -5.788
177 HA SER 32 HA SER 32 -0.089 -6.764 -7.430
178 HB2 SER 32 HB3 SER 32 0.237 -9.753 -6.927
179 HB3 SER 32 HB2 SER 32 -0.834 -9.025 -8.132
180 HG SER 32 HG SER 32 1.394 -7.960 -8.725
Start of MODEL 3
1 H1 SER 1 HT1 SER 1 -5.907 -3.256 9.553
2 H2 SER 1 HT2 SER 1 -4.438 -2.423 9.530
3 H3 SER 1 HT3 SER 1 -4.455 -4.090 9.796
4 HA SER 1 HA SER 1 -3.742 -3.560 7.564
5 HB2 SER 1 HB3 SER 1 -4.926 -5.697 7.984
6 HB3 SER 1 HB2 SER 1 -6.480 -4.906 7.716
7 HG SER 1 HG SER 1 -6.187 -5.105 5.639
8 H CYS 2 H CYS 2 -4.103 -2.515 5.582
9 HA CYS 2 HA CYS 2 -5.932 -0.272 5.509
10 HB2 CYS 2 HB3 CYS 2 -4.068 -1.416 3.394
11 HB3 CYS 2 HB2 CYS 2 -4.994 0.031 3.212
12 H GLY 3 H GLY 3 -7.036 -0.079 3.153
13 HA2 GLY 3 HA3 GLY 3 -8.925 -2.322 2.887
14 HA3 GLY 3 HA2 GLY 3 -9.106 -0.687 2.261
15 H SER 4 H SER 4 -6.824 -0.275 0.886
16 HA SER 4 HA SER 4 -6.095 -1.373 -1.323
17 HB2 SER 4 HB3 SER 4 -7.952 -1.541 -3.016
18 HB3 SER 4 HB2 SER 4 -8.141 -2.705 -1.709
19 HG SER 4 HG SER 4 -9.429 -0.177 -1.753
20 H GLU 5 H GLU 5 -7.419 1.122 0.294
21 HA GLU 5 HA GLU 5 -7.843 3.078 -1.771
22 HB2 GLU 5 HB3 GLU 5 -8.269 4.611 0.018
23 HB3 GLU 5 HB2 GLU 5 -8.961 3.064 0.483
24 HG2 GLU 5 HG3 GLU 5 -6.304 4.122 1.513
25 HG3 GLU 5 HG2 GLU 5 -7.841 4.331 2.347
26 H CYS 6 H CYS 6 -5.146 2.003 0.160
27 HA CYS 6 HA CYS 6 -3.338 4.021 -0.979
28 HB2 CYS 6 HB3 CYS 6 -3.067 2.028 1.299
29 HB3 CYS 6 HB2 CYS 6 -1.739 2.981 0.675
30 H ALA 7 H ALA 7 -4.366 2.439 -2.799
31 HA ALA 7 HA ALA 7 -1.953 1.071 -3.801
32 HB1 ALA 7 HB1 ALA 7 -3.683 -0.573 -3.217
33 HB2 ALA 7 HB2 ALA 7 -3.369 -0.543 -4.951
34 HB3 ALA 7 HB3 ALA 7 -4.816 0.234 -4.302
35 HA PRO 8 HA PRO 8 -4.135 4.002 -7.212
36 HB2 PRO 8 HB3 PRO 8 -2.693 6.380 -6.042
37 HB3 PRO 8 HB2 PRO 8 -4.297 6.293 -6.781
38 HG2 PRO 8 HG3 PRO 8 -4.060 6.575 -4.155
39 HG3 PRO 8 HG2 PRO 8 -5.298 5.476 -4.818
40 HD2 PRO 8 HD3 PRO 8 -2.572 4.761 -3.693
41 HD3 PRO 8 HD2 PRO 8 -4.158 4.024 -3.386
42 H GLU 9 H GLU 9 -1.115 4.736 -5.556
43 HA GLU 9 HA GLU 9 0.323 5.240 -7.975
44 HB2 GLU 9 HB3 GLU 9 1.215 5.238 -5.058
45 HB3 GLU 9 HB2 GLU 9 2.126 5.879 -6.412
46 HG2 GLU 9 HG3 GLU 9 -0.481 6.950 -5.310
47 HG3 GLU 9 HG2 GLU 9 1.106 7.695 -5.152
48 HA PRO 10 HA PRO 10 2.693 1.262 -7.828
49 HB2 PRO 10 HB3 PRO 10 5.080 2.113 -8.875
50 HB3 PRO 10 HB2 PRO 10 3.639 1.905 -9.897
51 HG2 PRO 10 HG3 PRO 10 4.684 4.445 -8.626
52 HG3 PRO 10 HG2 PRO 10 4.224 4.146 -10.331
53 HD2 PRO 10 HD3 PRO 10 2.498 5.320 -8.658
54 HD3 PRO 10 HD2 PRO 10 1.928 4.136 -9.861
55 H ASP 11 H ASP 11 3.625 4.299 -6.450
56 HA ASP 11 HA ASP 11 5.480 3.119 -4.482
57 HB2 ASP 11 HB3 ASP 11 4.990 6.039 -5.260
58 HB3 ASP 11 HB2 ASP 11 6.223 5.456 -4.158
59 H CYS 12 H CYS 12 2.958 2.413 -4.066
60 HA CYS 12 HA CYS 12 1.176 4.047 -2.628
61 HB2 CYS 12 HB3 CYS 12 0.125 2.001 -1.982
62 HB3 CYS 12 HB2 CYS 12 0.655 1.808 -3.636
63 H TRP 13 H TRP 13 4.159 2.723 -1.581
64 HA TRP 13 HA TRP 13 3.982 1.992 1.008
65 HB2 TRP 13 HB3 TRP 13 6.185 3.757 -0.107
66 HB3 TRP 13 HB2 TRP 13 6.294 2.678 1.203
67 HD1 TRP 13 HD1 TRP 13 6.464 2.720 -2.552
68 HE1 TRP 13 HE1 TRP 13 7.242 0.406 -3.394
69 HE3 TRP 13 HE3 TRP 13 6.213 0.211 1.802
70 HZ2 TRP 13 HZ2 TRP 13 7.705 -2.177 -2.295
71 HZ3 TRP 13 HZ3 TRP 13 6.826 -2.175 1.901
72 HH2 TRP 13 HH2 TRP 13 7.557 -3.356 -0.128
73 H GLY 14 H GLY 14 3.965 5.254 -0.264
74 HA2 GLY 14 HA3 GLY 14 4.474 6.659 2.207
75 HA3 GLY 14 HA2 GLY 14 3.932 7.368 0.694
76 H CYS 15 H CYS 15 1.635 5.466 0.634
77 HA CYS 15 HA CYS 15 -0.299 7.085 2.110
78 HB2 CYS 15 HB3 CYS 15 -0.616 6.287 -0.283
79 HB3 CYS 15 HB2 CYS 15 -0.779 4.666 0.320
80 H CYS 16 H CYS 16 0.856 3.807 1.886
81 HA CYS 16 HA CYS 16 -1.105 2.638 3.619
82 HB2 CYS 16 HB3 CYS 16 -0.476 1.297 1.855
83 HB3 CYS 16 HB2 CYS 16 1.215 1.707 1.980
84 H LEU 17 H LEU 17 2.457 3.018 3.888
85 HA LEU 17 HA LEU 17 2.715 1.812 6.408
86 HB2 LEU 17 HB3 LEU 17 4.504 3.631 4.832
87 HB3 LEU 17 HB2 LEU 17 4.970 3.174 6.460
88 HG LEU 17 HG LEU 17 4.228 0.770 5.000
89 HD11 LEU 17 HD11 LEU 17 4.781 1.954 2.982
90 HD12 LEU 17 HD12 LEU 17 5.972 0.700 3.313
91 HD13 LEU 17 HD13 LEU 17 6.356 2.395 3.637
92 HD21 LEU 17 HD21 LEU 17 6.449 0.007 5.541
93 HD22 LEU 17 HD22 LEU 17 5.687 0.759 6.945
94 HD23 LEU 17 HD23 LEU 17 6.921 1.642 6.037
95 H VAL 18 H VAL 18 1.268 4.854 5.950
96 HA VAL 18 HA VAL 18 2.267 6.068 8.406
97 HB VAL 18 HB VAL 18 1.475 7.514 6.554
98 HG11 VAL 18 HG11 VAL 18 -0.914 7.752 6.019
99 HG12 VAL 18 HG12 VAL 18 -1.309 6.446 7.141
100 HG13 VAL 18 HG13 VAL 18 -0.351 6.112 5.699
101 HG21 VAL 18 HG21 VAL 18 -0.225 7.844 9.063
102 HG22 VAL 18 HG22 VAL 18 0.130 9.112 7.883
103 HG23 VAL 18 HG23 VAL 18 1.434 8.425 8.851
104 H GLN 19 H GLN 19 -0.100 3.756 7.600
105 HA GLN 19 HA GLN 19 -1.493 3.924 10.213
106 HB2 GLN 19 HB3 GLN 19 -3.616 3.514 8.934
107 HB3 GLN 19 HB2 GLN 19 -2.876 5.047 8.545
108 HG2 GLN 19 HG3 GLN 19 -1.861 3.907 6.536
109 HG3 GLN 19 HG2 GLN 19 -2.880 2.522 6.871
110 HE21 GLN 19 HE21 GLN 19 -2.702 4.411 4.600
111 HE22 GLN 19 HE22 GLN 19 -4.328 4.971 4.355
112 H CYS 20 H CYS 20 -0.121 1.995 7.682
113 HA CYS 20 HA CYS 20 -1.034 -0.554 8.874
114 HB2 CYS 20 HB3 CYS 20 -0.633 0.067 5.919
115 HB3 CYS 20 HB2 CYS 20 -1.033 -1.511 6.567
116 H ALA 21 H ALA 21 0.414 -2.389 7.986
117 HA ALA 21 HA ALA 21 3.199 -1.818 8.597
118 HB1 ALA 21 HB1 ALA 21 3.437 -4.284 8.568
119 HB2 ALA 21 HB2 ALA 21 1.780 -4.439 7.978
120 HB3 ALA 21 HB3 ALA 21 2.081 -3.786 9.587
121 HA PRO 22 HA PRO 22 4.753 -1.945 4.298
122 HB2 PRO 22 HB3 PRO 22 7.091 -3.458 4.677
123 HB3 PRO 22 HB2 PRO 22 6.952 -1.716 4.998
124 HG2 PRO 22 HG3 PRO 22 6.785 -4.002 6.929
125 HG3 PRO 22 HG2 PRO 22 7.597 -2.428 7.105
126 HD2 PRO 22 HD3 PRO 22 5.222 -2.902 8.267
127 HD3 PRO 22 HD2 PRO 22 5.609 -1.306 7.597
128 H SER 23 H SER 23 3.988 -4.806 6.111
129 HA SER 23 HA SER 23 4.069 -6.770 4.102
130 HB2 SER 23 HB3 SER 23 3.641 -7.232 6.517
131 HB3 SER 23 HB2 SER 23 2.049 -6.485 6.370
132 HG SER 23 HG SER 23 2.926 -8.729 4.851
133 H ILE 24 H ILE 24 1.551 -4.407 4.970
134 HA ILE 24 HA ILE 24 -0.376 -5.189 3.003
135 HB ILE 24 HB ILE 24 -0.050 -2.549 4.517
136 HG12 ILE 24 HG13 ILE 24 -0.548 -4.294 6.138
137 HG13 ILE 24 HG12 ILE 24 -2.021 -3.341 5.888
138 HG21 ILE 24 HG21 ILE 24 -1.333 -2.161 2.497
139 HG22 ILE 24 HG22 ILE 24 -2.389 -2.058 3.903
140 HG23 ILE 24 HG23 ILE 24 -2.417 -3.498 2.884
141 HD11 ILE 24 HD11 ILE 24 -2.889 -5.122 4.422
142 HD12 ILE 24 HD12 ILE 24 -2.551 -5.681 6.058
143 HD13 ILE 24 HD13 ILE 24 -1.442 -6.082 4.749
144 H CYS 25 H CYS 25 2.003 -2.596 3.299
145 HA CYS 25 HA CYS 25 1.460 -1.154 0.970
146 HB2 CYS 25 HB3 CYS 25 4.156 -1.381 2.320
147 HB3 CYS 25 HB2 CYS 25 3.509 0.008 1.473
148 H ALA 26 H ALA 26 3.652 -3.871 1.554
149 HA ALA 26 HA ALA 26 4.981 -3.926 -0.941
150 HB1 ALA 26 HB1 ALA 26 4.384 -6.256 0.919
151 HB2 ALA 26 HB2 ALA 26 5.790 -5.192 1.007
152 HB3 ALA 26 HB3 ALA 26 5.569 -6.258 -0.385
153 H GLY 27 H GLY 27 1.881 -5.203 0.144
154 HA2 GLY 27 HA3 GLY 27 1.433 -7.035 -2.005
155 HA3 GLY 27 HA2 GLY 27 0.251 -6.475 -0.835
156 H TRP 28 H TRP 28 0.624 -3.648 -1.476
157 HA TRP 28 HA TRP 28 -1.136 -3.565 -3.819
158 HB2 TRP 28 HB3 TRP 28 -0.425 -1.399 -1.803
159 HB3 TRP 28 HB2 TRP 28 -1.626 -1.242 -3.083
160 HD1 TRP 28 HD1 TRP 28 -1.476 -1.969 0.470
161 HE1 TRP 28 HE1 TRP 28 -3.589 -3.152 1.300
162 HE3 TRP 28 HE3 TRP 28 -3.458 -3.398 -4.040
163 HZ2 TRP 28 HZ2 TRP 28 -5.772 -4.510 0.241
164 HZ3 TRP 28 HZ3 TRP 28 -5.577 -4.662 -4.033
165 HH2 TRP 28 HH2 TRP 28 -6.710 -5.206 -1.930
166 H CYS 29 H CYS 29 1.988 -2.245 -2.728
167 HA CYS 29 HA CYS 29 2.469 -0.611 -5.010
168 HB2 CYS 29 HB3 CYS 29 4.206 -1.699 -2.818
169 HB3 CYS 29 HB2 CYS 29 4.949 -0.864 -4.184
170 H GLY 30 H GLY 30 3.799 -3.822 -4.116
171 HA2 GLY 30 HA3 GLY 30 4.438 -4.324 -6.971
172 HA3 GLY 30 HA2 GLY 30 5.660 -4.518 -5.728
173 H GLY 31 H GLY 31 5.183 -6.054 -3.970
174 HA2 GLY 31 HA3 GLY 31 4.562 -8.146 -3.207
175 HA3 GLY 31 HA2 GLY 31 3.377 -8.256 -4.497
176 H SER 32 H SER 32 6.487 -7.401 -5.531
177 HA SER 32 HA SER 32 6.770 -10.020 -6.866
178 HB2 SER 32 HB3 SER 32 7.905 -8.600 -8.645
179 HB3 SER 32 HB2 SER 32 6.190 -8.263 -8.392
180 HG SER 32 HG SER 32 8.320 -6.767 -7.239
Start of MODEL 4
1 H1 SER 1 HT1 SER 1 -7.373 -1.525 9.947
2 H2 SER 1 HT2 SER 1 -8.437 -2.759 10.408
3 H3 SER 1 HT3 SER 1 -9.035 -1.294 9.816
4 HA SER 1 HA SER 1 -7.407 -3.210 8.268
5 HB2 SER 1 HB3 SER 1 -10.395 -2.613 8.100
6 HB3 SER 1 HB2 SER 1 -9.511 -3.760 7.089
7 HG SER 1 HG SER 1 -9.156 -5.039 8.858
8 H CYS 2 H CYS 2 -6.776 -2.496 6.264
9 HA CYS 2 HA CYS 2 -7.361 0.307 5.531
10 HB2 CYS 2 HB3 CYS 2 -5.279 -1.226 4.032
11 HB3 CYS 2 HB2 CYS 2 -5.250 0.423 4.615
12 H GLY 3 H GLY 3 -8.808 0.598 3.973
13 HA2 GLY 3 HA3 GLY 3 -10.378 -1.393 2.831
14 HA3 GLY 3 HA2 GLY 3 -10.342 0.302 2.364
15 H SER 4 H SER 4 -7.769 0.461 1.451
16 HA SER 4 HA SER 4 -6.672 -0.206 -0.664
17 HB2 SER 4 HB3 SER 4 -8.075 -0.398 -2.717
18 HB3 SER 4 HB2 SER 4 -8.474 -1.671 -1.569
19 HG SER 4 HG SER 4 -10.408 -0.845 -1.289
20 H GLU 5 H GLU 5 -8.228 1.979 0.985
21 HA GLU 5 HA GLU 5 -8.809 4.127 -0.827
22 HB2 GLU 5 HB3 GLU 5 -8.340 4.058 2.185
23 HB3 GLU 5 HB2 GLU 5 -8.987 5.446 1.307
24 HG2 GLU 5 HG3 GLU 5 -11.004 4.254 0.748
25 HG3 GLU 5 HG2 GLU 5 -10.336 2.725 1.318
26 H CYS 6 H CYS 6 -6.028 3.046 0.996
27 HA CYS 6 HA CYS 6 -4.340 5.109 -0.234
28 HB2 CYS 6 HB3 CYS 6 -3.888 3.201 2.067
29 HB3 CYS 6 HB2 CYS 6 -2.562 3.960 1.230
30 H ALA 7 H ALA 7 -5.352 3.651 -2.090
31 HA ALA 7 HA ALA 7 -2.871 2.599 -3.245
32 HB1 ALA 7 HB1 ALA 7 -4.289 0.666 -2.681
33 HB2 ALA 7 HB2 ALA 7 -4.079 0.823 -4.425
34 HB3 ALA 7 HB3 ALA 7 -5.590 1.333 -3.666
35 HA PRO 8 HA PRO 8 -5.309 5.686 -6.283
36 HB2 PRO 8 HB3 PRO 8 -3.470 7.765 -5.064
37 HB3 PRO 8 HB2 PRO 8 -5.112 7.947 -5.697
38 HG2 PRO 8 HG3 PRO 8 -4.707 7.968 -3.094
39 HG3 PRO 8 HG2 PRO 8 -6.100 7.079 -3.760
40 HD2 PRO 8 HD3 PRO 8 -3.443 5.974 -2.821
41 HD3 PRO 8 HD2 PRO 8 -5.084 5.367 -2.517
42 H GLU 9 H GLU 9 -2.055 5.888 -4.927
43 HA GLU 9 HA GLU 9 -0.826 6.565 -7.437
44 HB2 GLU 9 HB3 GLU 9 0.333 6.083 -4.653
45 HB3 GLU 9 HB2 GLU 9 1.201 6.763 -6.015
46 HG2 GLU 9 HG3 GLU 9 -1.155 8.009 -4.586
47 HG3 GLU 9 HG2 GLU 9 0.531 8.496 -4.431
48 HA PRO 10 HA PRO 10 1.160 2.412 -8.117
49 HB2 PRO 10 HB3 PRO 10 3.672 3.307 -8.950
50 HB3 PRO 10 HB2 PRO 10 2.265 3.199 -10.029
51 HG2 PRO 10 HG3 PRO 10 3.322 5.597 -8.552
52 HG3 PRO 10 HG2 PRO 10 2.778 5.474 -10.242
53 HD2 PRO 10 HD3 PRO 10 1.174 6.525 -8.378
54 HD3 PRO 10 HD2 PRO 10 0.499 5.480 -9.654
55 H ASP 11 H ASP 11 2.740 5.094 -6.432
56 HA ASP 11 HA ASP 11 3.966 3.318 -4.447
57 HB2 ASP 11 HB3 ASP 11 5.286 5.236 -5.362
58 HB3 ASP 11 HB2 ASP 11 4.090 6.354 -4.727
59 H CYS 12 H CYS 12 1.772 2.603 -3.817
60 HA CYS 12 HA CYS 12 0.030 4.280 -2.284
61 HB2 CYS 12 HB3 CYS 12 -0.963 2.268 -1.511
62 HB3 CYS 12 HB2 CYS 12 -0.590 2.002 -3.209
63 H TRP 13 H TRP 13 3.086 2.834 -1.712
64 HA TRP 13 HA TRP 13 3.315 2.322 0.932
65 HB2 TRP 13 HB3 TRP 13 5.383 3.772 -0.735
66 HB3 TRP 13 HB2 TRP 13 5.671 2.800 0.639
67 HD1 TRP 13 HD1 TRP 13 5.516 2.599 -3.048
68 HE1 TRP 13 HE1 TRP 13 5.792 0.160 -3.838
69 HE3 TRP 13 HE3 TRP 13 5.001 0.307 1.416
70 HZ2 TRP 13 HZ2 TRP 13 5.795 -2.422 -2.678
71 HZ3 TRP 13 HZ3 TRP 13 5.148 -2.172 1.541
72 HH2 TRP 13 HH2 TRP 13 5.539 -3.501 -0.478
73 H GLY 14 H GLY 14 3.191 5.414 -0.657
74 HA2 GLY 14 HA3 GLY 14 3.820 6.961 1.777
75 HA3 GLY 14 HA2 GLY 14 3.688 7.594 0.140
76 H CYS 15 H CYS 15 1.513 5.619 2.086
77 HA CYS 15 HA CYS 15 -0.439 7.643 2.659
78 HB2 CYS 15 HB3 CYS 15 -0.824 6.971 0.199
79 HB3 CYS 15 HB2 CYS 15 -1.273 5.395 0.776
80 H CYS 16 H CYS 16 0.335 4.275 2.202
81 HA CYS 16 HA CYS 16 -1.692 3.251 3.984
82 HB2 CYS 16 HB3 CYS 16 -1.298 2.077 1.984
83 HB3 CYS 16 HB2 CYS 16 0.425 2.078 2.179
84 H LEU 17 H LEU 17 1.916 3.433 4.052
85 HA LEU 17 HA LEU 17 2.087 1.898 6.498
86 HB2 LEU 17 HB3 LEU 17 4.212 3.498 5.042
87 HB3 LEU 17 HB2 LEU 17 4.521 2.633 6.540
88 HG LEU 17 HG LEU 17 3.404 0.606 5.136
89 HD11 LEU 17 HD11 LEU 17 3.021 1.905 3.129
90 HD12 LEU 17 HD12 LEU 17 4.150 0.585 2.845
91 HD13 LEU 17 HD13 LEU 17 4.753 2.239 2.990
92 HD21 LEU 17 HD21 LEU 17 5.638 -0.215 4.614
93 HD22 LEU 17 HD22 LEU 17 5.523 0.437 6.249
94 HD23 LEU 17 HD23 LEU 17 6.318 1.379 4.978
95 H VAL 18 H VAL 18 1.034 5.063 6.243
96 HA VAL 18 HA VAL 18 2.135 5.960 8.803
97 HB VAL 18 HB VAL 18 1.524 7.626 7.050
98 HG11 VAL 18 HG11 VAL 18 -0.811 8.189 6.569
99 HG12 VAL 18 HG12 VAL 18 -1.364 6.861 7.594
100 HG13 VAL 18 HG13 VAL 18 -0.462 6.520 6.118
101 HG21 VAL 18 HG21 VAL 18 -0.095 7.946 9.606
102 HG22 VAL 18 HG22 VAL 18 0.379 9.252 8.513
103 HG23 VAL 18 HG23 VAL 18 1.615 8.358 9.404
104 H GLN 19 H GLN 19 -0.316 3.864 7.783
105 HA GLN 19 HA GLN 19 -1.815 3.975 10.322
106 HB2 GLN 19 HB3 GLN 19 -3.925 4.043 9.078
107 HB3 GLN 19 HB2 GLN 19 -2.945 5.424 8.635
108 HG2 GLN 19 HG3 GLN 19 -2.224 4.133 6.612
109 HG3 GLN 19 HG2 GLN 19 -3.397 2.897 7.030
110 HE21 GLN 19 HE21 GLN 19 -2.906 6.061 5.740
111 HE22 GLN 19 HE22 GLN 19 -4.527 6.328 5.203
112 H CYS 20 H CYS 20 -0.186 2.095 8.069
113 HA CYS 20 HA CYS 20 -1.458 -0.409 8.905
114 HB2 CYS 20 HB3 CYS 20 -0.958 0.243 5.969
115 HB3 CYS 20 HB2 CYS 20 -1.654 -1.224 6.609
116 H ALA 21 H ALA 21 -0.169 -2.284 8.020
117 HA ALA 21 HA ALA 21 2.697 -1.894 8.385
118 HB1 ALA 21 HB1 ALA 21 2.755 -4.373 8.442
119 HB2 ALA 21 HB2 ALA 21 1.040 -4.429 8.024
120 HB3 ALA 21 HB3 ALA 21 1.547 -3.745 9.569
121 HA PRO 22 HA PRO 22 3.788 -2.197 3.944
122 HB2 PRO 22 HB3 PRO 22 6.015 -3.896 4.136
123 HB3 PRO 22 HB2 PRO 22 6.057 -2.143 4.402
124 HG2 PRO 22 HG3 PRO 22 5.855 -4.348 6.432
125 HG3 PRO 22 HG2 PRO 22 6.850 -2.873 6.466
126 HD2 PRO 22 HD3 PRO 22 4.586 -2.977 7.884
127 HD3 PRO 22 HD2 PRO 22 5.014 -1.486 7.024
128 H SER 23 H SER 23 3.156 -5.003 5.917
129 HA SER 23 HA SER 23 2.912 -7.018 3.986
130 HB2 SER 23 HB3 SER 23 2.871 -7.409 6.435
131 HB3 SER 23 HB2 SER 23 1.320 -6.584 6.552
132 HG SER 23 HG SER 23 1.551 -8.762 4.802
133 H ILE 24 H ILE 24 0.656 -4.484 5.037
134 HA ILE 24 HA ILE 24 -1.572 -5.351 3.413
135 HB ILE 24 HB ILE 24 -1.121 -2.643 4.761
136 HG12 ILE 24 HG13 ILE 24 -1.057 -4.364 6.487
137 HG13 ILE 24 HG12 ILE 24 -2.576 -3.470 6.600
138 HG21 ILE 24 HG21 ILE 24 -2.853 -2.551 3.036
139 HG22 ILE 24 HG22 ILE 24 -3.579 -2.412 4.632
140 HG23 ILE 24 HG23 ILE 24 -3.681 -3.936 3.753
141 HD11 ILE 24 HD11 ILE 24 -3.738 -5.349 5.507
142 HD12 ILE 24 HD12 ILE 24 -2.917 -5.844 6.986
143 HD13 ILE 24 HD13 ILE 24 -2.213 -6.237 5.419
144 H CYS 25 H CYS 25 0.863 -2.777 3.349
145 HA CYS 25 HA CYS 25 -0.113 -1.315 1.146
146 HB2 CYS 25 HB3 CYS 25 2.742 -1.386 2.161
147 HB3 CYS 25 HB2 CYS 25 1.925 -0.037 1.387
148 H ALA 26 H ALA 26 2.147 -4.024 1.363
149 HA ALA 26 HA ALA 26 3.220 -3.973 -1.253
150 HB1 ALA 26 HB1 ALA 26 2.734 -6.385 0.533
151 HB2 ALA 26 HB2 ALA 26 4.163 -5.350 0.559
152 HB3 ALA 26 HB3 ALA 26 3.814 -6.330 -0.866
153 H GLY 27 H GLY 27 0.092 -4.963 -0.049
154 HA2 GLY 27 HA3 GLY 27 -0.577 -6.667 -2.320
155 HA3 GLY 27 HA2 GLY 27 -1.600 -6.267 -0.946
156 H TRP 28 H TRP 28 -1.064 -3.360 -1.287
157 HA TRP 28 HA TRP 28 -3.168 -2.844 -3.274
158 HB2 TRP 28 HB3 TRP 28 -1.962 -1.057 -1.120
159 HB3 TRP 28 HB2 TRP 28 -3.285 -0.590 -2.184
160 HD1 TRP 28 HD1 TRP 28 -2.928 -1.487 1.201
161 HE1 TRP 28 HE1 TRP 28 -5.018 -2.639 2.180
162 HE3 TRP 28 HE3 TRP 28 -5.206 -2.935 -3.157
163 HZ2 TRP 28 HZ2 TRP 28 -7.269 -4.027 1.252
164 HZ3 TRP 28 HZ3 TRP 28 -7.313 -4.204 -3.016
165 HH2 TRP 28 HH2 TRP 28 -8.323 -4.741 -0.853
166 H CYS 29 H CYS 29 0.221 -2.027 -2.637
167 HA CYS 29 HA CYS 29 0.559 -0.289 -4.905
168 HB2 CYS 29 HB3 CYS 29 2.427 -1.694 -3.009
169 HB3 CYS 29 HB2 CYS 29 3.083 -0.977 -4.477
170 H GLY 30 H GLY 30 2.033 -3.472 -4.302
171 HA2 GLY 30 HA3 GLY 30 1.556 -4.941 -6.440
172 HA3 GLY 30 HA2 GLY 30 2.641 -3.748 -7.130
173 H GLY 31 H GLY 31 4.592 -3.304 -5.620
174 HA2 GLY 31 HA3 GLY 31 5.670 -5.145 -3.846
175 HA3 GLY 31 HA2 GLY 31 6.141 -5.698 -5.454
176 H SER 32 H SER 32 8.311 -5.317 -5.128
177 HA SER 32 HA SER 32 9.383 -2.856 -4.123
178 HB2 SER 32 HB3 SER 32 11.590 -3.979 -4.749
179 HB3 SER 32 HB2 SER 32 10.569 -4.894 -3.639
180 HG SER 32 HG SER 32 10.754 -5.296 -6.455
Start of MODEL 5
1 H1 SER 1 HT1 SER 1 -6.627 -3.417 9.075
2 H2 SER 1 HT2 SER 1 -5.110 -4.152 9.165
3 H3 SER 1 HT3 SER 1 -6.482 -5.078 8.835
4 HA SER 1 HA SER 1 -5.169 -4.693 6.849
5 HB2 SER 1 HB3 SER 1 -7.070 -3.849 5.434
6 HB3 SER 1 HB2 SER 1 -7.591 -5.052 6.614
7 HG SER 1 HG SER 1 -8.231 -2.369 6.424
8 H CYS 2 H CYS 2 -4.464 -3.170 5.221
9 HA CYS 2 HA CYS 2 -3.699 -0.523 6.141
10 HB2 CYS 2 HB3 CYS 2 -2.320 -1.941 4.572
11 HB3 CYS 2 HB2 CYS 2 -3.530 -1.721 3.339
12 H GLY 3 H GLY 3 -4.180 1.300 4.335
13 HA2 GLY 3 HA3 GLY 3 -7.050 1.660 4.177
14 HA3 GLY 3 HA2 GLY 3 -5.811 2.761 3.594
15 H SER 4 H SER 4 -4.619 0.273 2.167
16 HA SER 4 HA SER 4 -4.487 -0.620 0.119
17 HB2 SER 4 HB3 SER 4 -6.515 -1.568 -0.945
18 HB3 SER 4 HB2 SER 4 -6.438 -1.941 0.773
19 HG SER 4 HG SER 4 -7.874 0.334 0.010
20 H GLU 5 H GLU 5 -5.134 2.425 0.514
21 HA GLU 5 HA GLU 5 -5.452 3.063 -2.368
22 HB2 GLU 5 HB3 GLU 5 -7.306 3.855 -0.724
23 HB3 GLU 5 HB2 GLU 5 -6.104 4.971 -0.087
24 HG2 GLU 5 HG3 GLU 5 -5.897 6.048 -2.285
25 HG3 GLU 5 HG2 GLU 5 -7.038 4.897 -2.980
26 H CYS 6 H CYS 6 -3.195 2.673 -0.053
27 HA CYS 6 HA CYS 6 -1.392 4.725 -1.128
28 HB2 CYS 6 HB3 CYS 6 -1.261 2.963 1.341
29 HB3 CYS 6 HB2 CYS 6 0.070 3.929 0.763
30 H ALA 7 H ALA 7 -2.329 2.391 -2.548
31 HA ALA 7 HA ALA 7 0.146 0.988 -3.213
32 HB1 ALA 7 HB1 ALA 7 -1.976 -0.242 -3.106
33 HB2 ALA 7 HB2 ALA 7 -1.267 -0.312 -4.722
34 HB3 ALA 7 HB3 ALA 7 -2.628 0.769 -4.399
35 HA PRO 8 HA PRO 8 -1.314 3.556 -7.293
36 HB2 PRO 8 HB3 PRO 8 -0.900 6.375 -6.319
37 HB3 PRO 8 HB2 PRO 8 -2.227 5.693 -7.269
38 HG2 PRO 8 HG3 PRO 8 -2.607 6.338 -4.725
39 HG3 PRO 8 HG2 PRO 8 -3.325 4.847 -5.376
40 HD2 PRO 8 HD3 PRO 8 -0.773 5.144 -3.769
41 HD3 PRO 8 HD2 PRO 8 -2.140 4.031 -3.518
42 H GLU 9 H GLU 9 0.998 5.383 -5.290
43 HA GLU 9 HA GLU 9 2.558 6.272 -7.463
44 HB2 GLU 9 HB3 GLU 9 3.117 6.251 -4.457
45 HB3 GLU 9 HB2 GLU 9 4.027 7.163 -5.645
46 HG2 GLU 9 HG3 GLU 9 1.111 7.572 -4.939
47 HG3 GLU 9 HG2 GLU 9 2.453 8.595 -4.430
48 HA PRO 10 HA PRO 10 5.894 3.051 -7.318
49 HB2 PRO 10 HB3 PRO 10 8.055 4.631 -7.993
50 HB3 PRO 10 HB2 PRO 10 6.885 4.038 -9.191
51 HG2 PRO 10 HG3 PRO 10 6.986 6.724 -7.840
52 HG3 PRO 10 HG2 PRO 10 6.741 6.344 -9.560
53 HD2 PRO 10 HD3 PRO 10 4.666 6.948 -7.962
54 HD3 PRO 10 HD2 PRO 10 4.511 5.730 -9.253
55 H ASP 11 H ASP 11 5.970 6.151 -5.677
56 HA ASP 11 HA ASP 11 7.686 5.180 -3.479
57 HB2 ASP 11 HB3 ASP 11 8.160 7.411 -4.546
58 HB3 ASP 11 HB2 ASP 11 6.567 7.967 -4.065
59 H CYS 12 H CYS 12 5.026 4.103 -3.943
60 HA CYS 12 HA CYS 12 2.975 5.123 -2.310
61 HB2 CYS 12 HB3 CYS 12 2.213 2.665 -2.385
62 HB3 CYS 12 HB2 CYS 12 2.340 3.533 -3.914
63 H TRP 13 H TRP 13 5.854 3.320 -1.450
64 HA TRP 13 HA TRP 13 5.251 2.173 0.989
65 HB2 TRP 13 HB3 TRP 13 7.800 3.588 0.112
66 HB3 TRP 13 HB2 TRP 13 7.669 2.549 1.464
67 HD1 TRP 13 HD1 TRP 13 7.908 2.441 -2.302
68 HE1 TRP 13 HE1 TRP 13 8.458 0.026 -3.038
69 HE3 TRP 13 HE3 TRP 13 7.363 0.153 2.164
70 HZ2 TRP 13 HZ2 TRP 13 8.627 -2.541 -1.832
71 HZ3 TRP 13 HZ3 TRP 13 7.723 -2.297 2.344
72 HH2 TRP 13 HH2 TRP 13 8.346 -3.614 0.372
73 H GLY 14 H GLY 14 5.892 5.508 0.137
74 HA2 GLY 14 HA3 GLY 14 6.338 6.578 2.763
75 HA3 GLY 14 HA2 GLY 14 5.983 7.499 1.308
76 H CYS 15 H CYS 15 3.529 5.846 0.940
77 HA CYS 15 HA CYS 15 1.663 7.527 2.442
78 HB2 CYS 15 HB3 CYS 15 1.490 7.104 -0.054
79 HB3 CYS 15 HB2 CYS 15 1.110 5.440 0.287
80 H CYS 16 H CYS 16 2.517 4.183 1.928
81 HA CYS 16 HA CYS 16 0.306 2.999 3.291
82 HB2 CYS 16 HB3 CYS 16 1.391 1.900 1.428
83 HB3 CYS 16 HB2 CYS 16 2.926 1.882 2.251
84 H LEU 17 H LEU 17 3.780 3.315 4.121
85 HA LEU 17 HA LEU 17 3.499 1.909 6.598
86 HB2 LEU 17 HB3 LEU 17 5.769 3.451 5.328
87 HB3 LEU 17 HB2 LEU 17 5.912 2.803 6.956
88 HG LEU 17 HG LEU 17 5.050 0.559 5.651
89 HD11 LEU 17 HD11 LEU 17 5.032 1.591 3.459
90 HD12 LEU 17 HD12 LEU 17 6.226 0.299 3.547
91 HD13 LEU 17 HD13 LEU 17 6.749 1.985 3.604
92 HD21 LEU 17 HD21 LEU 17 6.948 0.637 7.146
93 HD22 LEU 17 HD22 LEU 17 7.941 1.402 5.894
94 HD23 LEU 17 HD23 LEU 17 7.335 -0.245 5.668
95 H VAL 18 H VAL 18 2.252 4.900 6.155
96 HA VAL 18 HA VAL 18 3.028 5.910 8.828
97 HB VAL 18 HB VAL 18 2.699 7.566 6.965
98 HG11 VAL 18 HG11 VAL 18 0.465 8.160 6.169
99 HG12 VAL 18 HG12 VAL 18 -0.248 6.860 7.127
100 HG13 VAL 18 HG13 VAL 18 0.836 6.479 5.791
101 HG21 VAL 18 HG21 VAL 18 0.771 7.940 9.292
102 HG22 VAL 18 HG22 VAL 18 1.418 9.229 8.266
103 HG23 VAL 18 HG23 VAL 18 2.502 8.306 9.308
104 H GLN 19 H GLN 19 0.922 3.669 7.531
105 HA GLN 19 HA GLN 19 -0.960 3.658 9.758
106 HB2 GLN 19 HB3 GLN 19 -2.917 3.935 8.229
107 HB3 GLN 19 HB2 GLN 19 -1.911 5.362 8.283
108 HG2 GLN 19 HG3 GLN 19 -0.838 4.579 6.168
109 HG3 GLN 19 HG2 GLN 19 -2.017 3.286 6.082
110 HE21 GLN 19 HE21 GLN 19 -1.433 5.587 4.305
111 HE22 GLN 19 HE22 GLN 19 -2.957 6.389 4.096
112 H CYS 20 H CYS 20 0.928 1.948 7.654
113 HA CYS 20 HA CYS 20 -0.480 -0.561 8.153
114 HB2 CYS 20 HB3 CYS 20 0.592 -0.256 5.347
115 HB3 CYS 20 HB2 CYS 20 -0.734 -1.202 5.939
116 H ALA 21 H ALA 21 0.946 -2.418 7.894
117 HA ALA 21 HA ALA 21 3.641 -1.900 8.775
118 HB1 ALA 21 HB1 ALA 21 2.289 -3.731 9.734
119 HB2 ALA 21 HB2 ALA 21 3.773 -4.352 9.011
120 HB3 ALA 21 HB3 ALA 21 2.236 -4.526 8.158
121 HA PRO 22 HA PRO 22 5.850 -2.213 4.786
122 HB2 PRO 22 HB3 PRO 22 8.066 -3.743 5.641
123 HB3 PRO 22 HB2 PRO 22 7.930 -1.980 5.756
124 HG2 PRO 22 HG3 PRO 22 7.395 -4.048 7.857
125 HG3 PRO 22 HG2 PRO 22 8.198 -2.468 8.005
126 HD2 PRO 22 HD3 PRO 22 5.671 -2.762 8.826
127 HD3 PRO 22 HD2 PRO 22 6.161 -1.277 7.990
128 H SER 23 H SER 23 5.057 -5.126 6.619
129 HA SER 23 HA SER 23 5.482 -7.048 4.580
130 HB2 SER 23 HB3 SER 23 3.456 -7.047 6.862
131 HB3 SER 23 HB2 SER 23 3.933 -8.466 5.921
132 HG SER 23 HG SER 23 6.036 -8.222 6.729
133 H ILE 24 H ILE 24 2.758 -4.908 5.353
134 HA ILE 24 HA ILE 24 0.921 -5.990 3.408
135 HB ILE 24 HB ILE 24 0.783 -3.230 4.709
136 HG12 ILE 24 HG13 ILE 24 1.045 -4.910 6.505
137 HG13 ILE 24 HG12 ILE 24 -0.561 -4.182 6.517
138 HG21 ILE 24 HG21 ILE 24 -0.777 -3.556 2.863
139 HG22 ILE 24 HG22 ILE 24 -1.656 -3.501 4.390
140 HG23 ILE 24 HG23 ILE 24 -1.376 -5.049 3.591
141 HD11 ILE 24 HD11 ILE 24 -0.641 -6.579 6.991
142 HD12 ILE 24 HD12 ILE 24 0.142 -6.936 5.453
143 HD13 ILE 24 HD13 ILE 24 -1.475 -6.226 5.478
144 H CYS 25 H CYS 25 3.085 -3.193 3.667
145 HA CYS 25 HA CYS 25 2.423 -1.897 1.232
146 HB2 CYS 25 HB3 CYS 25 4.998 -1.716 2.840
147 HB3 CYS 25 HB2 CYS 25 4.356 -0.496 1.749
148 H ALA 26 H ALA 26 4.746 -4.415 2.082
149 HA ALA 26 HA ALA 26 6.127 -4.640 -0.389
150 HB1 ALA 26 HB1 ALA 26 5.513 -6.812 1.653
151 HB2 ALA 26 HB2 ALA 26 6.913 -5.736 1.674
152 HB3 ALA 26 HB3 ALA 26 6.727 -6.910 0.372
153 H GLY 27 H GLY 27 2.945 -5.690 0.636
154 HA2 GLY 27 HA3 GLY 27 2.447 -7.550 -1.521
155 HA3 GLY 27 HA2 GLY 27 1.271 -6.911 -0.382
156 H TRP 28 H TRP 28 1.770 -4.124 -0.891
157 HA TRP 28 HA TRP 28 0.187 -3.774 -3.307
158 HB2 TRP 28 HB3 TRP 28 1.253 -1.669 -1.368
159 HB3 TRP 28 HB2 TRP 28 0.064 -1.387 -2.636
160 HD1 TRP 28 HD1 TRP 28 0.204 -1.962 0.957
161 HE1 TRP 28 HE1 TRP 28 -2.049 -2.767 1.886
162 HE3 TRP 28 HE3 TRP 28 -2.111 -3.224 -3.430
163 HZ2 TRP 28 HZ2 TRP 28 -4.465 -3.820 0.915
164 HZ3 TRP 28 HZ3 TRP 28 -4.391 -4.145 -3.343
165 HH2 TRP 28 HH2 TRP 28 -5.548 -4.434 -1.208
166 H CYS 29 H CYS 29 3.133 -2.105 -2.146
167 HA CYS 29 HA CYS 29 3.858 -1.002 -4.642
168 HB2 CYS 29 HB3 CYS 29 5.513 -1.434 -2.127
169 HB3 CYS 29 HB2 CYS 29 5.981 -0.398 -3.475
170 H GLY 30 H GLY 30 5.219 -3.756 -2.814
171 HA2 GLY 30 HA3 GLY 30 7.146 -4.434 -4.860
172 HA3 GLY 30 HA2 GLY 30 6.820 -5.317 -3.375
173 H GLY 31 H GLY 31 3.835 -5.133 -4.367
174 HA2 GLY 31 HA3 GLY 31 3.791 -7.702 -5.755
175 HA3 GLY 31 HA2 GLY 31 2.417 -6.817 -5.115
176 H SER 32 H SER 32 1.402 -7.423 -7.149
177 HA SER 32 HA SER 32 2.416 -6.267 -9.626
178 HB2 SER 32 HB3 SER 32 0.375 -7.500 -10.595
179 HB3 SER 32 HB2 SER 32 1.613 -8.499 -9.841
180 HG SER 32 HG SER 32 -0.699 -7.611 -8.458
Start of MODEL 6
1 H1 SER 1 HT1 SER 1 -8.891 -4.458 4.786
2 H2 SER 1 HT2 SER 1 -8.052 -4.395 6.251
3 H3 SER 1 HT3 SER 1 -8.119 -5.841 5.378
4 HA SER 1 HA SER 1 -5.982 -4.758 5.164
5 HB2 SER 1 HB3 SER 1 -6.881 -6.194 3.322
6 HB3 SER 1 HB2 SER 1 -7.602 -4.773 2.571
7 HG SER 1 HG SER 1 -5.566 -5.382 1.667
8 H CYS 2 H CYS 2 -5.675 -2.795 6.127
9 HA CYS 2 HA CYS 2 -5.518 -0.577 6.522
10 HB2 CYS 2 HB3 CYS 2 -4.603 -0.877 3.969
11 HB3 CYS 2 HB2 CYS 2 -5.915 0.192 3.655
12 H GLY 3 H GLY 3 -6.839 1.639 5.156
13 HA2 GLY 3 HA3 GLY 3 -9.670 1.232 5.782
14 HA3 GLY 3 HA2 GLY 3 -8.902 2.719 5.250
15 H SER 4 H SER 4 -7.739 0.514 3.134
16 HA SER 4 HA SER 4 -7.955 0.156 0.935
17 HB2 SER 4 HB3 SER 4 -10.974 0.338 1.422
18 HB3 SER 4 HB2 SER 4 -10.203 -0.331 -0.020
19 HG SER 4 HG SER 4 -10.693 -2.027 1.304
20 H GLU 5 H GLU 5 -7.855 2.824 2.204
21 HA GLU 5 HA GLU 5 -9.174 4.624 0.264
22 HB2 GLU 5 HB3 GLU 5 -9.487 4.749 2.899
23 HB3 GLU 5 HB2 GLU 5 -7.896 5.486 2.891
24 HG2 GLU 5 HG3 GLU 5 -10.342 6.568 1.454
25 HG3 GLU 5 HG2 GLU 5 -9.747 7.130 3.011
26 H CYS 6 H CYS 6 -6.115 3.788 1.835
27 HA CYS 6 HA CYS 6 -4.516 5.523 0.157
28 HB2 CYS 6 HB3 CYS 6 -3.882 3.622 2.427
29 HB3 CYS 6 HB2 CYS 6 -2.645 4.369 1.448
30 H ALA 7 H ALA 7 -6.016 3.614 -1.287
31 HA ALA 7 HA ALA 7 -3.764 2.359 -2.752
32 HB1 ALA 7 HB1 ALA 7 -5.420 0.762 -1.874
33 HB2 ALA 7 HB2 ALA 7 -5.354 0.752 -3.637
34 HB3 ALA 7 HB3 ALA 7 -6.684 1.566 -2.803
35 HA PRO 8 HA PRO 8 -5.954 5.498 -5.857
36 HB2 PRO 8 HB3 PRO 8 -3.824 7.483 -5.060
37 HB3 PRO 8 HB2 PRO 8 -5.522 7.763 -5.471
38 HG2 PRO 8 HG3 PRO 8 -4.687 7.970 -2.952
39 HG3 PRO 8 HG2 PRO 8 -6.268 7.240 -3.322
40 HD2 PRO 8 HD3 PRO 8 -3.662 5.840 -2.675
41 HD3 PRO 8 HD2 PRO 8 -5.302 5.519 -2.072
42 H GLU 9 H GLU 9 -2.552 5.733 -4.823
43 HA GLU 9 HA GLU 9 -1.619 5.793 -7.524
44 HB2 GLU 9 HB3 GLU 9 -0.205 5.961 -4.826
45 HB3 GLU 9 HB2 GLU 9 0.599 6.135 -6.372
46 HG2 GLU 9 HG3 GLU 9 -1.559 7.958 -5.290
47 HG3 GLU 9 HG2 GLU 9 0.169 8.310 -5.328
48 HA PRO 10 HA PRO 10 0.065 1.483 -7.623
49 HB2 PRO 10 HB3 PRO 10 2.336 2.101 -9.166
50 HB3 PRO 10 HB2 PRO 10 0.740 1.730 -9.846
51 HG2 PRO 10 HG3 PRO 10 1.973 4.412 -9.304
52 HG3 PRO 10 HG2 PRO 10 1.060 3.856 -10.728
53 HD2 PRO 10 HD3 PRO 10 -0.129 5.377 -8.888
54 HD3 PRO 10 HD2 PRO 10 -1.011 4.018 -9.630
55 H ASP 11 H ASP 11 1.948 4.405 -6.900
56 HA ASP 11 HA ASP 11 3.641 3.011 -4.939
57 HB2 ASP 11 HB3 ASP 11 4.777 4.597 -6.440
58 HB3 ASP 11 HB2 ASP 11 3.662 5.884 -5.990
59 H CYS 12 H CYS 12 1.580 2.509 -3.874
60 HA CYS 12 HA CYS 12 0.029 4.490 -2.455
61 HB2 CYS 12 HB3 CYS 12 -1.096 2.590 -1.511
62 HB3 CYS 12 HB2 CYS 12 -0.870 2.280 -3.219
63 H TRP 13 H TRP 13 3.003 2.948 -1.827
64 HA TRP 13 HA TRP 13 3.121 2.247 0.788
65 HB2 TRP 13 HB3 TRP 13 5.259 3.624 -0.861
66 HB3 TRP 13 HB2 TRP 13 5.547 2.745 0.581
67 HD1 TRP 13 HD1 TRP 13 5.313 2.262 -3.084
68 HE1 TRP 13 HE1 TRP 13 5.505 -0.245 -3.670
69 HE3 TRP 13 HE3 TRP 13 4.832 0.376 1.565
70 HZ2 TRP 13 HZ2 TRP 13 5.463 -2.723 -2.287
71 HZ3 TRP 13 HZ3 TRP 13 4.912 -2.080 1.909
72 HH2 TRP 13 HH2 TRP 13 5.222 -3.598 0.007
73 H GLY 14 H GLY 14 3.245 5.494 -0.526
74 HA2 GLY 14 HA3 GLY 14 4.372 6.764 1.836
75 HA3 GLY 14 HA2 GLY 14 3.781 7.569 0.390
76 H CYS 15 H CYS 15 1.218 5.929 0.822
77 HA CYS 15 HA CYS 15 -0.155 7.837 2.588
78 HB2 CYS 15 HB3 CYS 15 -0.971 7.194 0.201
79 HB3 CYS 15 HB2 CYS 15 -1.435 5.664 0.884
80 H CYS 16 H CYS 16 0.242 4.405 2.008
81 HA CYS 16 HA CYS 16 -1.662 3.520 3.953
82 HB2 CYS 16 HB3 CYS 16 -1.496 2.330 1.936
83 HB3 CYS 16 HB2 CYS 16 0.236 2.228 2.004
84 H LEU 17 H LEU 17 1.902 3.453 3.768
85 HA LEU 17 HA LEU 17 2.366 1.685 5.901
86 HB2 LEU 17 HB3 LEU 17 4.146 3.857 4.755
87 HB3 LEU 17 HB2 LEU 17 4.707 2.742 5.992
88 HG LEU 17 HG LEU 17 3.804 1.976 3.187
89 HD11 LEU 17 HD11 LEU 17 5.995 3.095 3.228
90 HD12 LEU 17 HD12 LEU 17 6.139 1.395 2.789
91 HD13 LEU 17 HD13 LEU 17 6.573 1.923 4.419
92 HD21 LEU 17 HD21 LEU 17 4.892 0.201 5.396
93 HD22 LEU 17 HD22 LEU 17 4.531 -0.294 3.740
94 HD23 LEU 17 HD23 LEU 17 3.228 0.220 4.805
95 H VAL 18 H VAL 18 1.440 5.048 6.206
96 HA VAL 18 HA VAL 18 2.732 5.460 8.790
97 HB VAL 18 HB VAL 18 2.420 7.389 7.292
98 HG11 VAL 18 HG11 VAL 18 0.218 8.374 6.833
99 HG12 VAL 18 HG12 VAL 18 -0.571 7.044 7.686
100 HG13 VAL 18 HG13 VAL 18 0.325 6.732 6.200
101 HG21 VAL 18 HG21 VAL 18 0.783 7.706 9.844
102 HG22 VAL 18 HG22 VAL 18 1.517 9.019 8.916
103 HG23 VAL 18 HG23 VAL 18 2.543 7.832 9.719
104 H GLN 19 H GLN 19 -0.189 4.071 7.703
105 HA GLN 19 HA GLN 19 -1.441 4.100 10.386
106 HB2 GLN 19 HB3 GLN 19 -3.639 4.558 9.180
107 HB3 GLN 19 HB2 GLN 19 -2.519 5.898 9.209
108 HG2 GLN 19 HG3 GLN 19 -1.796 5.165 6.895
109 HG3 GLN 19 HG2 GLN 19 -3.172 4.078 6.881
110 HE21 GLN 19 HE21 GLN 19 -2.422 6.502 5.287
111 HE22 GLN 19 HE22 GLN 19 -3.831 7.508 5.342
112 H CYS 20 H CYS 20 -0.244 2.248 7.950
113 HA CYS 20 HA CYS 20 -1.651 -0.144 8.825
114 HB2 CYS 20 HB3 CYS 20 -1.442 0.522 5.857
115 HB3 CYS 20 HB2 CYS 20 -2.128 -0.912 6.553
116 H ALA 21 H ALA 21 -0.546 -2.099 7.830
117 HA ALA 21 HA ALA 21 2.316 -1.850 8.262
118 HB1 ALA 21 HB1 ALA 21 1.042 -3.658 9.376
119 HB2 ALA 21 HB2 ALA 21 2.270 -4.326 8.302
120 HB3 ALA 21 HB3 ALA 21 0.576 -4.313 7.803
121 HA PRO 22 HA PRO 22 3.631 -2.309 3.857
122 HB2 PRO 22 HB3 PRO 22 5.701 -4.194 4.327
123 HB3 PRO 22 HB2 PRO 22 5.878 -2.433 4.374
124 HG2 PRO 22 HG3 PRO 22 5.481 -4.338 6.648
125 HG3 PRO 22 HG2 PRO 22 6.517 -2.894 6.548
126 HD2 PRO 22 HD3 PRO 22 4.202 -2.787 7.868
127 HD3 PRO 22 HD2 PRO 22 4.717 -1.419 6.877
128 H SER 23 H SER 23 2.888 -5.029 5.938
129 HA SER 23 HA SER 23 2.497 -7.096 4.119
130 HB2 SER 23 HB3 SER 23 0.844 -6.478 6.605
131 HB3 SER 23 HB2 SER 23 1.010 -8.055 5.827
132 HG SER 23 HG SER 23 2.400 -7.460 7.740
133 H ILE 24 H ILE 24 0.386 -4.357 4.978
134 HA ILE 24 HA ILE 24 -1.846 -5.243 3.342
135 HB ILE 24 HB ILE 24 -1.352 -2.541 4.692
136 HG12 ILE 24 HG13 ILE 24 -1.514 -4.207 6.463
137 HG13 ILE 24 HG12 ILE 24 -3.027 -3.282 6.397
138 HG21 ILE 24 HG21 ILE 24 -2.945 -2.335 2.898
139 HG22 ILE 24 HG22 ILE 24 -3.808 -2.257 4.431
140 HG23 ILE 24 HG23 ILE 24 -3.851 -3.735 3.473
141 HD11 ILE 24 HD11 ILE 24 -4.095 -5.175 5.220
142 HD12 ILE 24 HD12 ILE 24 -3.466 -5.637 6.799
143 HD13 ILE 24 HD13 ILE 24 -2.593 -6.097 5.338
144 H CYS 25 H CYS 25 0.613 -2.676 3.284
145 HA CYS 25 HA CYS 25 -0.363 -1.262 1.056
146 HB2 CYS 25 HB3 CYS 25 2.511 -1.242 2.021
147 HB3 CYS 25 HB2 CYS 25 1.637 0.057 1.220
148 H ALA 26 H ALA 26 1.830 -3.998 1.300
149 HA ALA 26 HA ALA 26 2.946 -4.053 -1.276
150 HB1 ALA 26 HB1 ALA 26 2.162 -6.429 0.459
151 HB2 ALA 26 HB2 ALA 26 3.684 -5.540 0.549
152 HB3 ALA 26 HB3 ALA 26 3.287 -6.461 -0.900
153 H GLY 27 H GLY 27 -0.275 -4.965 -0.176
154 HA2 GLY 27 HA3 GLY 27 -1.014 -6.437 -2.559
155 HA3 GLY 27 HA2 GLY 27 -2.053 -6.003 -1.213
156 H TRP 28 H TRP 28 -1.730 -3.229 -1.198
157 HA TRP 28 HA TRP 28 -3.556 -2.474 -3.293
158 HB2 TRP 28 HB3 TRP 28 -2.179 -0.768 -1.174
159 HB3 TRP 28 HB2 TRP 28 -3.472 -0.210 -2.231
160 HD1 TRP 28 HD1 TRP 28 -3.017 -1.475 1.144
161 HE1 TRP 28 HE1 TRP 28 -5.228 -2.326 2.143
162 HE3 TRP 28 HE3 TRP 28 -5.818 -1.798 -3.131
163 HZ2 TRP 28 HZ2 TRP 28 -7.771 -3.061 1.266
164 HZ3 TRP 28 HZ3 TRP 28 -8.137 -2.606 -2.964
165 HH2 TRP 28 HH2 TRP 28 -9.097 -3.225 -0.801
166 H CYS 29 H CYS 29 -0.113 -1.973 -2.652
167 HA CYS 29 HA CYS 29 0.354 -0.258 -4.922
168 HB2 CYS 29 HB3 CYS 29 2.131 -1.654 -2.924
169 HB3 CYS 29 HB2 CYS 29 2.845 -0.978 -4.385
170 H GLY 30 H GLY 30 1.862 -3.478 -4.251
171 HA2 GLY 30 HA3 GLY 30 1.277 -4.669 -6.723
172 HA3 GLY 30 HA2 GLY 30 2.790 -3.810 -6.876
173 H GLY 31 H GLY 31 3.963 -4.227 -4.459
174 HA2 GLY 31 HA3 GLY 31 4.931 -5.760 -3.015
175 HA3 GLY 31 HA2 GLY 31 4.025 -7.056 -3.781
176 H SER 32 H SER 32 6.851 -5.002 -3.972
177 HA SER 32 HA SER 32 8.375 -7.085 -5.340
178 HB2 SER 32 HB3 SER 32 7.954 -4.298 -6.473
179 HB3 SER 32 HB2 SER 32 9.314 -5.315 -6.955
180 HG SER 32 HG SER 32 7.279 -6.870 -7.193
Start of MODEL 7
1 H1 SER 1 HT1 SER 1 -5.988 -6.403 6.449
2 H2 SER 1 HT2 SER 1 -6.289 -4.972 5.604
3 H3 SER 1 HT3 SER 1 -5.976 -4.923 7.265
4 HA SER 1 HA SER 1 -3.756 -5.681 6.937
5 HB2 SER 1 HB3 SER 1 -2.882 -5.883 4.568
6 HB3 SER 1 HB2 SER 1 -4.095 -7.097 4.977
7 HG SER 1 HG SER 1 -4.378 -6.057 2.896
8 H CYS 2 H CYS 2 -5.191 -3.537 4.467
9 HA CYS 2 HA CYS 2 -3.989 -1.150 5.748
10 HB2 CYS 2 HB3 CYS 2 -2.728 -1.972 3.626
11 HB3 CYS 2 HB2 CYS 2 -4.127 -1.526 2.729
12 H GLY 3 H GLY 3 -5.165 0.707 3.934
13 HA2 GLY 3 HA3 GLY 3 -8.022 0.424 4.430
14 HA3 GLY 3 HA2 GLY 3 -7.192 1.800 3.717
15 H SER 4 H SER 4 -5.892 -0.530 1.954
16 HA SER 4 HA SER 4 -6.033 -1.254 -0.170
17 HB2 SER 4 HB3 SER 4 -9.067 -1.057 0.106
18 HB3 SER 4 HB2 SER 4 -8.196 -1.917 -1.168
19 HG SER 4 HG SER 4 -7.931 -3.537 0.139
20 H GLU 5 H GLU 5 -6.440 1.678 0.793
21 HA GLU 5 HA GLU 5 -7.625 3.007 -1.529
22 HB2 GLU 5 HB3 GLU 5 -8.172 3.827 0.758
23 HB3 GLU 5 HB2 GLU 5 -6.463 4.097 1.082
24 HG2 GLU 5 HG3 GLU 5 -6.517 5.756 -0.889
25 HG3 GLU 5 HG2 GLU 5 -8.273 5.622 -0.804
26 H CYS 6 H CYS 6 -4.590 2.751 0.252
27 HA CYS 6 HA CYS 6 -3.069 4.302 -1.662
28 HB2 CYS 6 HB3 CYS 6 -2.420 3.014 0.999
29 HB3 CYS 6 HB2 CYS 6 -1.263 3.897 0.026
30 H ALA 7 H ALA 7 -4.081 2.051 -2.788
31 HA ALA 7 HA ALA 7 -1.749 0.366 -3.401
32 HB1 ALA 7 HB1 ALA 7 -3.918 -0.714 -2.965
33 HB2 ALA 7 HB2 ALA 7 -3.323 -1.047 -4.591
34 HB3 ALA 7 HB3 ALA 7 -4.611 0.141 -4.344
35 HA PRO 8 HA PRO 8 -3.563 2.443 -7.579
36 HB2 PRO 8 HB3 PRO 8 -2.715 5.280 -7.260
37 HB3 PRO 8 HB2 PRO 8 -4.289 4.629 -7.713
38 HG2 PRO 8 HG3 PRO 8 -3.842 5.813 -5.337
39 HG3 PRO 8 HG2 PRO 8 -5.012 4.477 -5.521
40 HD2 PRO 8 HD3 PRO 8 -2.192 4.379 -4.451
41 HD3 PRO 8 HD2 PRO 8 -3.657 3.576 -3.859
42 H GLU 9 H GLU 9 -0.793 4.070 -6.150
43 HA GLU 9 HA GLU 9 0.458 4.604 -8.647
44 HB2 GLU 9 HB3 GLU 9 1.421 5.019 -5.793
45 HB3 GLU 9 HB2 GLU 9 2.112 5.739 -7.237
46 HG2 GLU 9 HG3 GLU 9 -0.195 6.844 -7.611
47 HG3 GLU 9 HG2 GLU 9 -0.609 6.272 -6.002
48 HA PRO 10 HA PRO 10 3.317 1.135 -8.847
49 HB2 PRO 10 HB3 PRO 10 5.637 2.410 -9.724
50 HB3 PRO 10 HB2 PRO 10 4.288 1.969 -10.793
51 HG2 PRO 10 HG3 PRO 10 4.874 4.620 -9.492
52 HG3 PRO 10 HG2 PRO 10 4.373 4.269 -11.168
53 HD2 PRO 10 HD3 PRO 10 2.584 5.128 -9.383
54 HD3 PRO 10 HD2 PRO 10 2.141 3.881 -10.570
55 H ASP 11 H ASP 11 4.534 4.136 -7.382
56 HA ASP 11 HA ASP 11 5.678 2.631 -5.113
57 HB2 ASP 11 HB3 ASP 11 7.075 4.453 -6.163
58 HB3 ASP 11 HB2 ASP 11 5.850 5.628 -5.710
59 H CYS 12 H CYS 12 3.500 1.998 -4.547
60 HA CYS 12 HA CYS 12 1.576 3.814 -3.429
61 HB2 CYS 12 HB3 CYS 12 0.592 1.844 -2.458
62 HB3 CYS 12 HB2 CYS 12 1.048 1.446 -4.099
63 H TRP 13 H TRP 13 4.618 2.641 -2.315
64 HA TRP 13 HA TRP 13 4.462 2.195 0.362
65 HB2 TRP 13 HB3 TRP 13 6.655 3.664 -1.133
66 HB3 TRP 13 HB2 TRP 13 6.822 2.952 0.415
67 HD1 TRP 13 HD1 TRP 13 7.023 2.104 -3.208
68 HE1 TRP 13 HE1 TRP 13 7.721 -0.368 -3.475
69 HE3 TRP 13 HE3 TRP 13 6.519 0.660 1.595
70 HZ2 TRP 13 HZ2 TRP 13 8.031 -2.646 -1.816
71 HZ3 TRP 13 HZ3 TRP 13 7.017 -1.689 2.222
72 HH2 TRP 13 HH2 TRP 13 7.762 -3.304 0.544
73 H GLY 14 H GLY 14 4.510 5.291 -1.293
74 HA2 GLY 14 HA3 GLY 14 5.264 6.937 0.954
75 HA3 GLY 14 HA2 GLY 14 4.642 7.503 -0.588
76 H CYS 15 H CYS 15 2.259 5.805 -0.323
77 HA CYS 15 HA CYS 15 0.543 7.649 1.182
78 HB2 CYS 15 HB3 CYS 15 0.109 6.739 -1.207
79 HB3 CYS 15 HB2 CYS 15 -0.279 5.224 -0.460
80 H CYS 16 H CYS 16 1.452 4.296 1.013
81 HA CYS 16 HA CYS 16 -0.612 3.250 2.708
82 HB2 CYS 16 HB3 CYS 16 0.075 1.964 0.857
83 HB3 CYS 16 HB2 CYS 16 1.767 2.135 1.235
84 H LEU 17 H LEU 17 2.873 3.768 3.051
85 HA LEU 17 HA LEU 17 3.221 2.297 5.428
86 HB2 LEU 17 HB3 LEU 17 4.901 4.483 4.167
87 HB3 LEU 17 HB2 LEU 17 5.409 3.662 5.638
88 HG LEU 17 HG LEU 17 4.952 2.330 2.935
89 HD11 LEU 17 HD11 LEU 17 6.990 3.695 2.961
90 HD12 LEU 17 HD12 LEU 17 7.374 1.976 2.906
91 HD13 LEU 17 HD13 LEU 17 7.540 2.864 4.422
92 HD21 LEU 17 HD21 LEU 17 5.943 1.113 5.535
93 HD22 LEU 17 HD22 LEU 17 5.858 0.304 3.968
94 HD23 LEU 17 HD23 LEU 17 4.378 0.810 4.773
95 H VAL 18 H VAL 18 1.765 5.429 5.168
96 HA VAL 18 HA VAL 18 2.615 6.349 7.810
97 HB VAL 18 HB VAL 18 2.195 7.996 5.990
98 HG11 VAL 18 HG11 VAL 18 -0.086 8.577 5.265
99 HG12 VAL 18 HG12 VAL 18 -0.747 7.259 6.235
100 HG13 VAL 18 HG13 VAL 18 0.297 6.903 4.860
101 HG21 VAL 18 HG21 VAL 18 0.314 8.362 8.354
102 HG22 VAL 18 HG22 VAL 18 0.933 9.656 7.319
103 HG23 VAL 18 HG23 VAL 18 2.042 8.742 8.342
104 H GLN 19 H GLN 19 0.413 4.092 6.742
105 HA GLN 19 HA GLN 19 -1.288 4.206 9.126
106 HB2 GLN 19 HB3 GLN 19 -3.333 4.177 7.651
107 HB3 GLN 19 HB2 GLN 19 -2.451 5.679 7.600
108 HG2 GLN 19 HG3 GLN 19 -1.383 4.883 5.492
109 HG3 GLN 19 HG2 GLN 19 -2.452 3.492 5.503
110 HE21 GLN 19 HE21 GLN 19 -2.099 5.823 3.661
111 HE22 GLN 19 HE22 GLN 19 -3.693 6.468 3.446
112 H CYS 20 H CYS 20 0.479 2.416 6.933
113 HA CYS 20 HA CYS 20 -0.638 -0.136 7.822
114 HB2 CYS 20 HB3 CYS 20 -0.053 0.280 4.855
115 HB3 CYS 20 HB2 CYS 20 -0.891 -1.030 5.619
116 H ALA 21 H ALA 21 0.894 -1.924 7.254
117 HA ALA 21 HA ALA 21 3.590 -1.149 7.974
118 HB1 ALA 21 HB1 ALA 21 2.460 -3.009 9.125
119 HB2 ALA 21 HB2 ALA 21 3.926 -3.569 8.320
120 HB3 ALA 21 HB3 ALA 21 2.344 -3.898 7.606
121 HA PRO 22 HA PRO 22 5.627 -1.716 3.910
122 HB2 PRO 22 HB3 PRO 22 7.906 -3.148 4.748
123 HB3 PRO 22 HB2 PRO 22 7.737 -1.382 4.808
124 HG2 PRO 22 HG3 PRO 22 7.315 -3.389 6.997
125 HG3 PRO 22 HG2 PRO 22 8.133 -1.808 7.053
126 HD2 PRO 22 HD3 PRO 22 5.656 -2.059 7.992
127 HD3 PRO 22 HD2 PRO 22 6.106 -0.614 7.081
128 H SER 23 H SER 23 4.966 -4.444 6.008
129 HA SER 23 HA SER 23 5.279 -6.543 4.138
130 HB2 SER 23 HB3 SER 23 3.755 -7.802 5.708
131 HB3 SER 23 HB2 SER 23 5.105 -7.015 6.523
132 HG SER 23 HG SER 23 3.028 -6.732 7.548
133 H ILE 24 H ILE 24 2.695 -4.209 4.745
134 HA ILE 24 HA ILE 24 0.740 -5.598 3.103
135 HB ILE 24 HB ILE 24 0.480 -2.734 4.116
136 HG12 ILE 24 HG13 ILE 24 0.986 -4.004 6.137
137 HG13 ILE 24 HG12 ILE 24 -0.740 -3.618 6.098
138 HG21 ILE 24 HG21 ILE 24 -1.156 -3.456 2.475
139 HG22 ILE 24 HG22 ILE 24 -1.925 -3.252 4.045
140 HG23 ILE 24 HG23 ILE 24 -1.563 -4.873 3.445
141 HD11 ILE 24 HD11 ILE 24 -0.375 -5.853 6.926
142 HD12 ILE 24 HD12 ILE 24 0.517 -6.297 5.473
143 HD13 ILE 24 HD13 ILE 24 -1.208 -5.928 5.374
144 H CYS 25 H CYS 25 2.602 -2.585 3.010
145 HA CYS 25 HA CYS 25 1.655 -1.549 0.577
146 HB2 CYS 25 HB3 CYS 25 4.380 -1.022 1.785
147 HB3 CYS 25 HB2 CYS 25 3.439 0.057 0.767
148 H ALA 26 H ALA 26 4.279 -3.796 1.317
149 HA ALA 26 HA ALA 26 5.536 -4.083 -1.145
150 HB1 ALA 26 HB1 ALA 26 4.765 -6.305 0.784
151 HB2 ALA 26 HB2 ALA 26 6.222 -5.314 0.872
152 HB3 ALA 26 HB3 ALA 26 5.991 -6.424 -0.481
153 H GLY 27 H GLY 27 2.456 -5.449 -0.046
154 HA2 GLY 27 HA3 GLY 27 2.011 -7.157 -2.306
155 HA3 GLY 27 HA2 GLY 27 0.868 -6.777 -1.026
156 H TRP 28 H TRP 28 1.011 -3.875 -1.457
157 HA TRP 28 HA TRP 28 -0.943 -3.710 -3.619
158 HB2 TRP 28 HB3 TRP 28 -0.007 -1.629 -1.600
159 HB3 TRP 28 HB2 TRP 28 -1.289 -1.365 -2.778
160 HD1 TRP 28 HD1 TRP 28 -0.897 -2.302 0.714
161 HE1 TRP 28 HE1 TRP 28 -3.026 -3.418 1.631
162 HE3 TRP 28 HE3 TRP 28 -3.290 -3.356 -3.700
163 HZ2 TRP 28 HZ2 TRP 28 -5.352 -4.602 0.656
164 HZ3 TRP 28 HZ3 TRP 28 -5.467 -4.506 -3.618
165 HH2 TRP 28 HH2 TRP 28 -6.483 -5.119 -1.475
166 H CYS 29 H CYS 29 2.363 -2.677 -3.000
167 HA CYS 29 HA CYS 29 2.539 -0.965 -5.323
168 HB2 CYS 29 HB3 CYS 29 4.507 -1.992 -3.304
169 HB3 CYS 29 HB2 CYS 29 5.117 -1.270 -4.790
170 H GLY 30 H GLY 30 4.291 -4.046 -4.568
171 HA2 GLY 30 HA3 GLY 30 4.215 -4.788 -7.419
172 HA3 GLY 30 HA2 GLY 30 5.777 -4.446 -6.704
173 H GLY 31 H GLY 31 5.661 -5.615 -4.265
174 HA2 GLY 31 HA3 GLY 31 5.754 -7.731 -3.227
175 HA3 GLY 31 HA2 GLY 31 5.205 -8.487 -4.721
176 H SER 32 H SER 32 6.704 -8.288 -6.575
177 HA SER 32 HA SER 32 8.610 -8.632 -7.684
178 HB2 SER 32 HB3 SER 32 10.376 -6.914 -7.302
179 HB3 SER 32 HB2 SER 32 8.751 -6.233 -7.329
180 HG SER 32 HG SER 32 9.807 -6.961 -4.849
Start of MODEL 8
1 H1 SER 1 HT1 SER 1 -6.629 -5.621 7.751
2 H2 SER 1 HT2 SER 1 -5.127 -5.105 8.326
3 H3 SER 1 HT3 SER 1 -5.293 -6.658 7.678
4 HA SER 1 HA SER 1 -4.197 -5.191 6.138
5 HB2 SER 1 HB3 SER 1 -5.660 -7.048 5.305
6 HB3 SER 1 HB2 SER 1 -7.020 -5.928 5.235
7 HG SER 1 HG SER 1 -5.374 -6.415 3.316
8 H CYS 2 H CYS 2 -5.060 -3.565 4.240
9 HA CYS 2 HA CYS 2 -6.454 -1.294 5.534
10 HB2 CYS 2 HB3 CYS 2 -4.048 -1.001 3.696
11 HB3 CYS 2 HB2 CYS 2 -4.865 0.269 4.591
12 H GLY 3 H GLY 3 -7.081 0.370 3.743
13 HA2 GLY 3 HA3 GLY 3 -9.142 -1.166 2.378
14 HA3 GLY 3 HA2 GLY 3 -9.102 0.555 2.696
15 H SER 4 H SER 4 -6.294 -0.512 1.104
16 HA SER 4 HA SER 4 -5.336 0.090 -0.804
17 HB2 SER 4 HB3 SER 4 -6.461 -0.381 -2.955
18 HB3 SER 4 HB2 SER 4 -6.665 -1.699 -1.806
19 HG SER 4 HG SER 4 -8.775 -1.031 -1.444
20 H GLU 5 H GLU 5 -6.988 2.098 0.768
21 HA GLU 5 HA GLU 5 -7.764 4.140 -1.128
22 HB2 GLU 5 HB3 GLU 5 -8.868 3.843 1.123
23 HB3 GLU 5 HB2 GLU 5 -7.373 4.371 1.891
24 HG2 GLU 5 HG3 GLU 5 -7.576 6.580 0.833
25 HG3 GLU 5 HG2 GLU 5 -9.032 6.065 -0.019
26 H CYS 6 H CYS 6 -4.980 3.317 0.839
27 HA CYS 6 HA CYS 6 -3.379 5.463 -0.376
28 HB2 CYS 6 HB3 CYS 6 -2.912 3.545 1.907
29 HB3 CYS 6 HB2 CYS 6 -1.574 4.319 1.102
30 H ALA 7 H ALA 7 -4.406 3.681 -2.186
31 HA ALA 7 HA ALA 7 -1.852 2.722 -3.347
32 HB1 ALA 7 HB1 ALA 7 -3.157 1.177 -4.717
33 HB2 ALA 7 HB2 ALA 7 -4.657 1.811 -4.035
34 HB3 ALA 7 HB3 ALA 7 -3.522 0.939 -3.005
35 HA PRO 8 HA PRO 8 -4.007 6.130 -6.379
36 HB2 PRO 8 HB3 PRO 8 -2.277 8.152 -4.931
37 HB3 PRO 8 HB2 PRO 8 -3.873 8.354 -5.671
38 HG2 PRO 8 HG3 PRO 8 -3.626 8.230 -3.035
39 HG3 PRO 8 HG2 PRO 8 -4.990 7.418 -3.844
40 HD2 PRO 8 HD3 PRO 8 -2.445 6.200 -2.760
41 HD3 PRO 8 HD2 PRO 8 -4.115 5.602 -2.677
42 H GLU 9 H GLU 9 -0.801 6.585 -4.881
43 HA GLU 9 HA GLU 9 0.459 7.138 -7.393
44 HB2 GLU 9 HB3 GLU 9 1.467 6.935 -4.524
45 HB3 GLU 9 HB2 GLU 9 2.511 7.313 -5.880
46 HG2 GLU 9 HG3 GLU 9 0.130 8.966 -4.994
47 HG3 GLU 9 HG2 GLU 9 1.818 9.325 -4.627
48 HA PRO 10 HA PRO 10 2.315 3.006 -8.139
49 HB2 PRO 10 HB3 PRO 10 4.826 3.823 -9.057
50 HB3 PRO 10 HB2 PRO 10 3.369 3.788 -10.074
51 HG2 PRO 10 HG3 PRO 10 4.560 6.113 -8.572
52 HG3 PRO 10 HG2 PRO 10 3.967 6.045 -10.255
53 HD2 PRO 10 HD3 PRO 10 2.435 7.107 -8.360
54 HD3 PRO 10 HD2 PRO 10 1.704 6.053 -9.595
55 H ASP 11 H ASP 11 4.174 5.553 -6.482
56 HA ASP 11 HA ASP 11 5.256 3.637 -4.543
57 HB2 ASP 11 HB3 ASP 11 6.714 5.509 -5.382
58 HB3 ASP 11 HB2 ASP 11 5.609 6.675 -4.667
59 H CYS 12 H CYS 12 3.016 3.068 -4.057
60 HA CYS 12 HA CYS 12 1.240 4.712 -2.546
61 HB2 CYS 12 HB3 CYS 12 0.170 2.650 -1.963
62 HB3 CYS 12 HB2 CYS 12 0.637 2.526 -3.645
63 H TRP 13 H TRP 13 4.218 3.115 -1.784
64 HA TRP 13 HA TRP 13 4.260 2.570 0.878
65 HB2 TRP 13 HB3 TRP 13 6.411 3.996 -0.724
66 HB3 TRP 13 HB2 TRP 13 6.657 3.147 0.741
67 HD1 TRP 13 HD1 TRP 13 6.654 2.653 -2.929
68 HE1 TRP 13 HE1 TRP 13 7.102 0.174 -3.495
69 HE3 TRP 13 HE3 TRP 13 6.109 0.711 1.689
70 HZ2 TRP 13 HZ2 TRP 13 7.216 -2.294 -2.118
71 HZ3 TRP 13 HZ3 TRP 13 6.390 -1.732 2.030
72 HH2 TRP 13 HH2 TRP 13 6.934 -3.200 0.155
73 H GLY 14 H GLY 14 4.307 5.684 -0.715
74 HA2 GLY 14 HA3 GLY 14 5.019 7.236 1.673
75 HA3 GLY 14 HA2 GLY 14 4.747 7.858 0.051
76 H CYS 15 H CYS 15 2.372 5.772 1.424
77 HA CYS 15 HA CYS 15 0.660 7.916 2.481
78 HB2 CYS 15 HB3 CYS 15 0.087 7.353 0.033
79 HB3 CYS 15 HB2 CYS 15 -0.364 5.766 0.574
80 H CYS 16 H CYS 16 1.241 4.550 1.871
81 HA CYS 16 HA CYS 16 -0.692 3.485 3.706
82 HB2 CYS 16 HB3 CYS 16 -0.390 2.368 1.664
83 HB3 CYS 16 HB2 CYS 16 1.342 2.397 1.764
84 H LEU 17 H LEU 17 2.878 3.690 3.604
85 HA LEU 17 HA LEU 17 3.389 1.972 5.784
86 HB2 LEU 17 HB3 LEU 17 5.091 4.151 4.558
87 HB3 LEU 17 HB2 LEU 17 5.671 3.161 5.889
88 HG LEU 17 HG LEU 17 4.910 2.158 3.120
89 HD11 LEU 17 HD11 LEU 17 7.045 3.364 3.162
90 HD12 LEU 17 HD12 LEU 17 7.294 1.641 2.885
91 HD13 LEU 17 HD13 LEU 17 7.616 2.330 4.478
92 HD21 LEU 17 HD21 LEU 17 5.958 0.568 5.495
93 HD22 LEU 17 HD22 LEU 17 5.716 -0.048 3.858
94 HD23 LEU 17 HD23 LEU 17 4.331 0.467 4.813
95 H VAL 18 H VAL 18 2.065 5.144 6.040
96 HA VAL 18 HA VAL 18 3.299 5.753 8.625
97 HB VAL 18 HB VAL 18 2.729 7.609 7.073
98 HG11 VAL 18 HG11 VAL 18 0.419 8.313 6.665
99 HG12 VAL 18 HG12 VAL 18 -0.184 6.916 7.561
100 HG13 VAL 18 HG13 VAL 18 0.700 6.682 6.054
101 HG21 VAL 18 HG21 VAL 18 1.687 9.141 8.698
102 HG22 VAL 18 HG22 VAL 18 2.859 8.090 9.494
103 HG23 VAL 18 HG23 VAL 18 1.129 7.765 9.660
104 H GLN 19 H GLN 19 0.690 3.885 7.516
105 HA GLN 19 HA GLN 19 -0.625 3.687 10.138
106 HB2 GLN 19 HB3 GLN 19 -2.847 4.046 8.993
107 HB3 GLN 19 HB2 GLN 19 -1.835 5.469 9.042
108 HG2 GLN 19 HG3 GLN 19 -1.118 4.876 6.691
109 HG3 GLN 19 HG2 GLN 19 -2.394 3.675 6.672
110 HE21 GLN 19 HE21 GLN 19 -1.938 6.135 5.090
111 HE22 GLN 19 HE22 GLN 19 -3.394 7.064 5.250
112 H CYS 20 H CYS 20 0.811 2.105 7.702
113 HA CYS 20 HA CYS 20 -0.455 -0.456 8.305
114 HB2 CYS 20 HB3 CYS 20 0.100 0.402 5.429
115 HB3 CYS 20 HB2 CYS 20 -0.592 -1.113 5.955
116 H ALA 21 H ALA 21 0.976 -2.253 7.275
117 HA ALA 21 HA ALA 21 3.824 -1.643 7.783
118 HB1 ALA 21 HB1 ALA 21 2.804 -3.469 9.093
119 HB2 ALA 21 HB2 ALA 21 4.068 -4.097 8.035
120 HB3 ALA 21 HB3 ALA 21 2.370 -4.317 7.605
121 HA PRO 22 HA PRO 22 5.378 -2.356 3.498
122 HB2 PRO 22 HB3 PRO 22 6.878 -4.634 4.844
123 HB3 PRO 22 HB2 PRO 22 7.466 -3.460 3.641
124 HG2 PRO 22 HG3 PRO 22 8.054 -3.136 6.202
125 HG3 PRO 22 HG2 PRO 22 7.621 -1.731 5.199
126 HD2 PRO 22 HD3 PRO 22 6.002 -3.102 7.298
127 HD3 PRO 22 HD2 PRO 22 5.981 -1.409 6.799
128 H SER 23 H SER 23 4.229 -5.154 5.402
129 HA SER 23 HA SER 23 3.841 -7.048 3.395
130 HB2 SER 23 HB3 SER 23 2.077 -6.554 5.834
131 HB3 SER 23 HB2 SER 23 2.194 -8.066 4.922
132 HG SER 23 HG SER 23 4.512 -7.955 5.489
133 H ILE 24 H ILE 24 1.768 -4.347 4.390
134 HA ILE 24 HA ILE 24 -0.464 -5.033 2.689
135 HB ILE 24 HB ILE 24 0.153 -2.468 4.235
136 HG12 ILE 24 HG13 ILE 24 -0.091 -4.313 5.805
137 HG13 ILE 24 HG12 ILE 24 -1.541 -3.308 5.891
138 HG21 ILE 24 HG21 ILE 24 -1.432 -2.006 2.439
139 HG22 ILE 24 HG22 ILE 24 -2.244 -1.926 4.001
140 HG23 ILE 24 HG23 ILE 24 -2.463 -3.338 2.967
141 HD11 ILE 24 HD11 ILE 24 -2.736 -4.963 4.509
142 HD12 ILE 24 HD12 ILE 24 -2.113 -5.650 6.007
143 HD13 ILE 24 HD13 ILE 24 -1.287 -5.974 4.484
144 H CYS 25 H CYS 25 1.964 -2.424 2.797
145 HA CYS 25 HA CYS 25 1.024 -0.981 0.571
146 HB2 CYS 25 HB3 CYS 25 3.864 -0.879 1.624
147 HB3 CYS 25 HB2 CYS 25 2.929 0.422 0.900
148 H ALA 26 H ALA 26 3.401 -3.593 0.820
149 HA ALA 26 HA ALA 26 4.674 -3.369 -1.672
150 HB1 ALA 26 HB1 ALA 26 4.082 -5.925 -0.139
151 HB2 ALA 26 HB2 ALA 26 5.468 -4.864 0.116
152 HB3 ALA 26 HB3 ALA 26 5.295 -5.729 -1.412
153 H GLY 27 H GLY 27 1.498 -4.591 -0.851
154 HA2 GLY 27 HA3 GLY 27 1.118 -6.145 -3.292
155 HA3 GLY 27 HA2 GLY 27 -0.046 -5.891 -2.001
156 H TRP 28 H TRP 28 0.396 -2.941 -2.120
157 HA TRP 28 HA TRP 28 -1.536 -2.352 -4.248
158 HB2 TRP 28 HB3 TRP 28 -0.467 -0.545 -2.039
159 HB3 TRP 28 HB2 TRP 28 -1.842 -0.204 -3.086
160 HD1 TRP 28 HD1 TRP 28 -1.361 -1.015 0.300
161 HE1 TRP 28 HE1 TRP 28 -3.318 -2.329 1.328
162 HE3 TRP 28 HE3 TRP 28 -3.581 -2.731 -3.996
163 HZ2 TRP 28 HZ2 TRP 28 -5.459 -3.918 0.468
164 HZ3 TRP 28 HZ3 TRP 28 -5.568 -4.170 -3.791
165 HH2 TRP 28 HH2 TRP 28 -6.488 -4.743 -1.603
166 H CYS 29 H CYS 29 1.766 -1.668 -3.337
167 HA CYS 29 HA CYS 29 2.290 0.307 -5.372
168 HB2 CYS 29 HB3 CYS 29 3.906 -1.136 -3.292
169 HB3 CYS 29 HB2 CYS 29 4.748 -0.283 -4.580
170 H GLY 30 H GLY 30 3.714 -2.908 -4.771
171 HA2 GLY 30 HA3 GLY 30 4.000 -4.395 -6.752
172 HA3 GLY 30 HA2 GLY 30 4.630 -2.994 -7.593
173 H GLY 31 H GLY 31 5.197 -3.835 -4.217
174 HA2 GLY 31 HA3 GLY 31 8.100 -3.899 -4.648
175 HA3 GLY 31 HA2 GLY 31 7.262 -3.802 -3.106
176 H SER 32 H SER 32 9.017 -5.466 -2.687
177 HA SER 32 HA SER 32 7.826 -8.092 -2.612
178 HB2 SER 32 HB3 SER 32 9.823 -9.235 -3.689
179 HB3 SER 32 HB2 SER 32 8.849 -8.298 -4.818
180 HG SER 32 HG SER 32 10.857 -6.834 -3.676
Start of MODEL 9
1 H1 SER 1 HT1 SER 1 -6.646 -2.791 2.756
2 H2 SER 1 HT2 SER 1 -6.591 -2.845 4.444
3 H3 SER 1 HT3 SER 1 -6.121 -4.194 3.543
4 HA SER 1 HA SER 1 -4.220 -3.012 4.429
5 HB2 SER 1 HB3 SER 1 -4.020 -4.271 2.304
6 HB3 SER 1 HB2 SER 1 -4.526 -2.855 1.394
7 HG SER 1 HG SER 1 -2.185 -3.355 1.584
8 H CYS 2 H CYS 2 -4.776 -1.141 5.592
9 HA CYS 2 HA CYS 2 -4.982 1.035 6.130
10 HB2 CYS 2 HB3 CYS 2 -3.275 1.291 3.635
11 HB3 CYS 2 HB2 CYS 2 -3.655 2.664 4.667
12 H GLY 3 H GLY 3 -5.226 3.362 4.348
13 HA2 GLY 3 HA3 GLY 3 -8.114 3.223 3.928
14 HA3 GLY 3 HA2 GLY 3 -7.093 4.652 3.884
15 H SER 4 H SER 4 -5.444 2.665 1.982
16 HA SER 4 HA SER 4 -4.944 2.581 -0.183
17 HB2 SER 4 HB3 SER 4 -6.632 1.965 -1.802
18 HB3 SER 4 HB2 SER 4 -7.030 1.181 -0.279
19 HG SER 4 HG SER 4 -8.650 2.710 0.043
20 H GLU 5 H GLU 5 -5.529 5.211 1.148
21 HA GLU 5 HA GLU 5 -6.311 7.016 -0.973
22 HB2 GLU 5 HB3 GLU 5 -6.010 8.781 0.643
23 HB3 GLU 5 HB2 GLU 5 -6.822 7.454 1.447
24 HG2 GLU 5 HG3 GLU 5 -3.850 8.006 1.717
25 HG3 GLU 5 HG2 GLU 5 -5.057 8.686 2.801
26 H CYS 6 H CYS 6 -3.382 5.868 0.574
27 HA CYS 6 HA CYS 6 -1.632 7.439 -1.189
28 HB2 CYS 6 HB3 CYS 6 -1.133 5.794 1.326
29 HB3 CYS 6 HB2 CYS 6 0.099 6.610 0.395
30 H ALA 7 H ALA 7 -3.152 5.414 -2.341
31 HA ALA 7 HA ALA 7 -1.304 3.263 -3.073
32 HB1 ALA 7 HB1 ALA 7 -3.673 2.743 -2.668
33 HB2 ALA 7 HB2 ALA 7 -3.179 2.332 -4.314
34 HB3 ALA 7 HB3 ALA 7 -4.132 3.791 -4.011
35 HA PRO 8 HA PRO 8 -2.613 5.585 -7.264
36 HB2 PRO 8 HB3 PRO 8 -1.572 8.360 -6.954
37 HB3 PRO 8 HB2 PRO 8 -3.185 7.822 -7.419
38 HG2 PRO 8 HG3 PRO 8 -2.687 8.995 -5.050
39 HG3 PRO 8 HG2 PRO 8 -3.941 7.743 -5.223
40 HD2 PRO 8 HD3 PRO 8 -1.137 7.465 -4.147
41 HD3 PRO 8 HD2 PRO 8 -2.660 6.792 -3.525
42 H GLU 9 H GLU 9 0.330 6.761 -5.706
43 HA GLU 9 HA GLU 9 1.546 7.528 -8.194
44 HB2 GLU 9 HB3 GLU 9 2.615 7.631 -5.340
45 HB3 GLU 9 HB2 GLU 9 3.233 8.509 -6.727
46 HG2 GLU 9 HG3 GLU 9 1.193 9.842 -6.852
47 HG3 GLU 9 HG2 GLU 9 0.465 8.887 -5.563
48 HA PRO 10 HA PRO 10 4.647 4.078 -8.287
49 HB2 PRO 10 HB3 PRO 10 6.781 5.514 -9.362
50 HB3 PRO 10 HB2 PRO 10 5.466 4.831 -10.342
51 HG2 PRO 10 HG3 PRO 10 5.774 7.643 -9.315
52 HG3 PRO 10 HG2 PRO 10 5.289 7.089 -10.937
53 HD2 PRO 10 HD3 PRO 10 3.449 7.920 -9.173
54 HD3 PRO 10 HD2 PRO 10 3.109 6.548 -10.255
55 H ASP 11 H ASP 11 5.125 7.272 -6.913
56 HA ASP 11 HA ASP 11 6.985 6.249 -4.837
57 HB2 ASP 11 HB3 ASP 11 7.723 8.251 -6.168
58 HB3 ASP 11 HB2 ASP 11 6.295 9.126 -5.649
59 H CYS 12 H CYS 12 4.223 5.463 -4.785
60 HA CYS 12 HA CYS 12 2.610 7.054 -3.059
61 HB2 CYS 12 HB3 CYS 12 1.223 5.157 -2.844
62 HB3 CYS 12 HB2 CYS 12 1.823 5.088 -4.483
63 H TRP 13 H TRP 13 5.268 4.892 -2.470
64 HA TRP 13 HA TRP 13 5.216 4.182 0.154
65 HB2 TRP 13 HB3 TRP 13 7.569 5.372 -1.358
66 HB3 TRP 13 HB2 TRP 13 7.668 4.396 0.046
67 HD1 TRP 13 HD1 TRP 13 7.138 4.132 -3.675
68 HE1 TRP 13 HE1 TRP 13 7.400 1.666 -4.384
69 HE3 TRP 13 HE3 TRP 13 7.387 2.081 0.920
70 HZ2 TRP 13 HZ2 TRP 13 7.679 -0.843 -3.111
71 HZ3 TRP 13 HZ3 TRP 13 7.646 -0.377 1.134
72 HH2 TRP 13 HH2 TRP 13 7.793 -1.799 -0.845
73 H GLY 14 H GLY 14 5.786 7.355 -1.217
74 HA2 GLY 14 HA3 GLY 14 6.951 8.589 1.132
75 HA3 GLY 14 HA2 GLY 14 6.458 9.399 -0.350
76 H CYS 15 H CYS 15 3.783 7.963 0.107
77 HA CYS 15 HA CYS 15 2.455 10.021 1.745
78 HB2 CYS 15 HB3 CYS 15 1.786 9.420 -0.651
79 HB3 CYS 15 HB2 CYS 15 1.263 7.873 -0.060
80 H CYS 16 H CYS 16 2.930 6.616 1.359
81 HA CYS 16 HA CYS 16 0.875 5.711 3.178
82 HB2 CYS 16 HB3 CYS 16 1.163 4.519 1.170
83 HB3 CYS 16 HB2 CYS 16 2.900 4.443 1.319
84 H LEU 17 H LEU 17 4.449 5.644 3.139
85 HA LEU 17 HA LEU 17 4.791 4.026 5.435
86 HB2 LEU 17 HB3 LEU 17 6.699 5.918 4.032
87 HB3 LEU 17 HB2 LEU 17 7.196 4.931 5.399
88 HG LEU 17 HG LEU 17 6.187 3.853 2.730
89 HD11 LEU 17 HD11 LEU 17 8.424 4.831 2.525
90 HD12 LEU 17 HD12 LEU 17 8.484 3.076 2.374
91 HD13 LEU 17 HD13 LEU 17 8.998 3.847 3.879
92 HD21 LEU 17 HD21 LEU 17 7.260 2.332 5.134
93 HD22 LEU 17 HD22 LEU 17 6.829 1.635 3.568
94 HD23 LEU 17 HD23 LEU 17 5.584 2.357 4.581
95 H VAL 18 H VAL 18 3.547 7.151 5.577
96 HA VAL 18 HA VAL 18 4.824 7.846 8.144
97 HB VAL 18 HB VAL 18 4.272 9.686 6.569
98 HG11 VAL 18 HG11 VAL 18 1.962 10.385 6.127
99 HG12 VAL 18 HG12 VAL 18 1.349 9.002 7.037
100 HG13 VAL 18 HG13 VAL 18 2.242 8.743 5.538
101 HG21 VAL 18 HG21 VAL 18 2.644 9.865 9.135
102 HG22 VAL 18 HG22 VAL 18 3.219 11.232 8.172
103 HG23 VAL 18 HG23 VAL 18 4.377 10.182 8.991
104 H GLN 19 H GLN 19 2.133 6.103 6.988
105 HA GLN 19 HA GLN 19 0.753 6.036 9.606
106 HB2 GLN 19 HB3 GLN 19 -1.400 6.262 8.352
107 HB3 GLN 19 HB2 GLN 19 -0.393 7.686 8.200
108 HG2 GLN 19 HG3 GLN 19 0.385 6.798 6.003
109 HG3 GLN 19 HG2 GLN 19 -0.787 5.501 6.138
110 HE21 GLN 19 HE21 GLN 19 -0.409 7.763 4.235
111 HE22 GLN 19 HE22 GLN 19 -1.962 8.529 4.147
112 H CYS 20 H CYS 20 2.226 4.285 7.183
113 HA CYS 20 HA CYS 20 0.874 1.788 7.892
114 HB2 CYS 20 HB3 CYS 20 1.323 2.637 5.000
115 HB3 CYS 20 HB2 CYS 20 0.679 1.110 5.534
116 H ALA 21 H ALA 21 2.070 -0.083 6.881
117 HA ALA 21 HA ALA 21 4.947 0.187 7.394
118 HB1 ALA 21 HB1 ALA 21 4.884 -2.281 7.562
119 HB2 ALA 21 HB2 ALA 21 3.187 -2.277 7.074
120 HB3 ALA 21 HB3 ALA 21 3.665 -1.542 8.605
121 HA PRO 22 HA PRO 22 6.449 -0.513 3.086
122 HB2 PRO 22 HB3 PRO 22 7.829 -2.900 4.368
123 HB3 PRO 22 HB2 PRO 22 8.480 -1.699 3.225
124 HG2 PRO 22 HG3 PRO 22 9.063 -1.510 5.802
125 HG3 PRO 22 HG2 PRO 22 8.699 -0.049 4.853
126 HD2 PRO 22 HD3 PRO 22 6.988 -1.437 6.878
127 HD3 PRO 22 HD2 PRO 22 7.083 0.283 6.479
128 H SER 23 H SER 23 5.129 -3.209 4.975
129 HA SER 23 HA SER 23 4.611 -5.062 2.936
130 HB2 SER 23 HB3 SER 23 3.025 -4.581 5.500
131 HB3 SER 23 HB2 SER 23 3.025 -6.065 4.542
132 HG SER 23 HG SER 23 4.883 -6.604 5.366
133 H ILE 24 H ILE 24 2.716 -2.289 4.099
134 HA ILE 24 HA ILE 24 0.370 -2.811 2.502
135 HB ILE 24 HB ILE 24 1.239 -0.298 4.000
136 HG12 ILE 24 HG13 ILE 24 0.954 -2.112 5.599
137 HG13 ILE 24 HG12 ILE 24 -0.400 -0.996 5.756
138 HG21 ILE 24 HG21 ILE 24 -0.403 0.258 2.264
139 HG22 ILE 24 HG22 ILE 24 -1.115 0.425 3.864
140 HG23 ILE 24 HG23 ILE 24 -1.501 -0.982 2.876
141 HD11 ILE 24 HD11 ILE 24 -1.822 -2.572 4.507
142 HD12 ILE 24 HD12 ILE 24 -1.138 -3.290 5.963
143 HD13 ILE 24 HD13 ILE 24 -0.463 -3.693 4.386
144 H CYS 25 H CYS 25 3.008 -0.428 2.495
145 HA CYS 25 HA CYS 25 2.182 1.112 0.300
146 HB2 CYS 25 HB3 CYS 25 5.020 0.802 1.314
147 HB3 CYS 25 HB2 CYS 25 4.333 2.203 0.506
148 H ALA 26 H ALA 26 4.272 -1.753 0.487
149 HA ALA 26 HA ALA 26 5.135 -1.781 -2.227
150 HB1 ALA 26 HB1 ALA 26 4.779 -4.135 -0.333
151 HB2 ALA 26 HB2 ALA 26 6.231 -3.148 -0.501
152 HB3 ALA 26 HB3 ALA 26 5.691 -4.152 -1.848
153 H GLY 27 H GLY 27 2.255 -3.011 -0.569
154 HA2 GLY 27 HA3 GLY 27 1.263 -4.668 -2.673
155 HA3 GLY 27 HA2 GLY 27 0.370 -4.107 -1.265
156 H TRP 28 H TRP 28 1.025 -1.256 -1.993
157 HA TRP 28 HA TRP 28 -1.150 -0.855 -3.932
158 HB2 TRP 28 HB3 TRP 28 0.150 1.032 -1.932
159 HB3 TRP 28 HB2 TRP 28 -1.106 1.515 -3.068
160 HD1 TRP 28 HD1 TRP 28 -0.772 0.425 0.382
161 HE1 TRP 28 HE1 TRP 28 -3.010 -0.393 1.345
162 HE3 TRP 28 HE3 TRP 28 -3.380 -0.130 -3.977
163 HZ2 TRP 28 HZ2 TRP 28 -5.519 -1.209 0.390
164 HZ3 TRP 28 HZ3 TRP 28 -5.695 -0.962 -3.872
165 HH2 TRP 28 HH2 TRP 28 -6.747 -1.491 -1.728
166 H CYS 29 H CYS 29 2.250 0.212 -3.372
167 HA CYS 29 HA CYS 29 2.428 1.646 -5.846
168 HB2 CYS 29 HB3 CYS 29 4.367 0.851 -3.723
169 HB3 CYS 29 HB2 CYS 29 5.062 1.128 -5.319
170 H GLY 30 H GLY 30 4.185 -1.315 -4.870
171 HA2 GLY 30 HA3 GLY 30 3.788 -2.804 -7.223
172 HA3 GLY 30 HA2 GLY 30 5.262 -1.865 -7.383
173 H GLY 31 H GLY 31 3.795 -4.623 -5.956
174 HA2 GLY 31 HA3 GLY 31 6.113 -6.008 -5.381
175 HA3 GLY 31 HA2 GLY 31 5.701 -5.163 -3.889
176 H SER 32 H SER 32 5.523 -8.054 -5.183
177 HA SER 32 HA SER 32 2.755 -8.791 -4.827
178 HB2 SER 32 HB3 SER 32 3.652 -11.091 -5.435
179 HB3 SER 32 HB2 SER 32 3.996 -9.831 -6.622
180 HG SER 32 HG SER 32 5.786 -10.807 -4.642
Start of MODEL 10
1 H1 SER 1 HT1 SER 1 -7.838 -1.266 9.041
2 H2 SER 1 HT2 SER 1 -6.156 -1.276 8.938
3 H3 SER 1 HT3 SER 1 -6.973 -2.624 9.541
4 HA SER 1 HA SER 1 -6.229 -3.028 7.305
5 HB2 SER 1 HB3 SER 1 -8.482 -3.640 6.344
6 HB3 SER 1 HB2 SER 1 -8.293 -4.127 8.028
7 HG SER 1 HG SER 1 -10.230 -2.709 7.044
8 H CYS 2 H CYS 2 -5.972 -2.321 5.182
9 HA CYS 2 HA CYS 2 -6.695 0.398 4.480
10 HB2 CYS 2 HB3 CYS 2 -5.154 -1.780 3.057
11 HB3 CYS 2 HB2 CYS 2 -5.617 -0.332 2.229
12 H GLY 3 H GLY 3 -7.792 0.820 2.386
13 HA2 GLY 3 HA3 GLY 3 -10.222 -0.879 2.103
14 HA3 GLY 3 HA2 GLY 3 -10.172 0.876 1.995
15 H SER 4 H SER 4 -7.627 -0.912 0.505
16 HA SER 4 HA SER 4 -6.736 -0.769 -1.530
17 HB2 SER 4 HB3 SER 4 -8.683 -2.180 -2.205
18 HB3 SER 4 HB2 SER 4 -9.591 -0.721 -2.590
19 HG SER 4 HG SER 4 -8.098 -0.277 -4.233
20 H GLU 5 H GLU 5 -7.714 1.681 0.018
21 HA GLU 5 HA GLU 5 -8.093 3.750 -2.001
22 HB2 GLU 5 HB3 GLU 5 -9.196 3.919 0.228
23 HB3 GLU 5 HB2 GLU 5 -7.621 3.966 1.009
24 HG2 GLU 5 HG3 GLU 5 -7.137 6.105 -0.219
25 HG3 GLU 5 HG2 GLU 5 -8.784 6.071 -0.852
26 H CYS 6 H CYS 6 -5.597 2.450 0.079
27 HA CYS 6 HA CYS 6 -3.505 4.110 -1.134
28 HB2 CYS 6 HB3 CYS 6 -3.574 2.238 1.251
29 HB3 CYS 6 HB2 CYS 6 -2.126 3.009 0.649
30 H ALA 7 H ALA 7 -4.740 2.385 -2.838
31 HA ALA 7 HA ALA 7 -2.607 0.475 -3.550
32 HB1 ALA 7 HB1 ALA 7 -4.860 -0.474 -3.316
33 HB2 ALA 7 HB2 ALA 7 -4.262 -0.614 -4.970
34 HB3 ALA 7 HB3 ALA 7 -5.452 0.627 -4.559
35 HA PRO 8 HA PRO 8 -3.751 3.543 -7.397
36 HB2 PRO 8 HB3 PRO 8 -2.403 5.985 -6.243
37 HB3 PRO 8 HB2 PRO 8 -3.910 5.854 -7.163
38 HG2 PRO 8 HG3 PRO 8 -3.976 6.349 -4.557
39 HG3 PRO 8 HG2 PRO 8 -5.160 5.232 -5.279
40 HD2 PRO 8 HD3 PRO 8 -2.620 4.553 -3.784
41 HD3 PRO 8 HD2 PRO 8 -4.254 3.885 -3.598
42 H GLU 9 H GLU 9 -0.893 4.288 -5.430
43 HA GLU 9 HA GLU 9 0.766 4.788 -7.679
44 HB2 GLU 9 HB3 GLU 9 1.480 4.532 -4.722
45 HB3 GLU 9 HB2 GLU 9 2.484 5.236 -5.972
46 HG2 GLU 9 HG3 GLU 9 -0.121 6.336 -4.889
47 HG3 GLU 9 HG2 GLU 9 1.491 7.009 -4.654
48 HA PRO 10 HA PRO 10 2.903 0.696 -7.768
49 HB2 PRO 10 HB3 PRO 10 5.368 1.543 -8.704
50 HB3 PRO 10 HB2 PRO 10 3.961 1.325 -9.765
51 HG2 PRO 10 HG3 PRO 10 5.026 3.859 -8.551
52 HG3 PRO 10 HG2 PRO 10 4.457 3.555 -10.209
53 HD2 PRO 10 HD3 PRO 10 2.889 4.775 -8.376
54 HD3 PRO 10 HD2 PRO 10 2.208 3.696 -9.616
55 H ASP 11 H ASP 11 4.050 3.612 -6.244
56 HA ASP 11 HA ASP 11 5.473 2.147 -4.114
57 HB2 ASP 11 HB3 ASP 11 6.462 4.343 -3.532
58 HB3 ASP 11 HB2 ASP 11 6.773 3.953 -5.218
59 H CYS 12 H CYS 12 2.777 1.803 -4.175
60 HA CYS 12 HA CYS 12 1.058 3.515 -2.790
61 HB2 CYS 12 HB3 CYS 12 -0.298 1.577 -2.368
62 HB3 CYS 12 HB2 CYS 12 0.386 1.401 -3.972
63 H TRP 13 H TRP 13 3.644 1.540 -1.578
64 HA TRP 13 HA TRP 13 3.382 1.130 1.060
65 HB2 TRP 13 HB3 TRP 13 5.775 2.472 -0.258
66 HB3 TRP 13 HB2 TRP 13 5.795 1.551 1.185
67 HD1 TRP 13 HD1 TRP 13 5.941 1.165 -2.537
68 HE1 TRP 13 HE1 TRP 13 6.327 -1.316 -3.147
69 HE3 TRP 13 HE3 TRP 13 5.307 -0.825 2.052
70 HZ2 TRP 13 HZ2 TRP 13 6.362 -3.799 -1.798
71 HZ3 TRP 13 HZ3 TRP 13 5.514 -3.277 2.350
72 HH2 TRP 13 HH2 TRP 13 6.040 -4.732 0.458
73 H GLY 14 H GLY 14 3.831 4.256 -0.500
74 HA2 GLY 14 HA3 GLY 14 4.519 5.804 1.826
75 HA3 GLY 14 HA2 GLY 14 4.055 6.438 0.256
76 H CYS 15 H CYS 15 1.520 4.821 0.458
77 HA CYS 15 HA CYS 15 -0.115 6.756 1.959
78 HB2 CYS 15 HB3 CYS 15 -0.582 6.078 -0.460
79 HB3 CYS 15 HB2 CYS 15 -1.007 4.500 0.118
80 H CYS 16 H CYS 16 0.554 3.358 1.625
81 HA CYS 16 HA CYS 16 -1.602 2.404 3.257
82 HB2 CYS 16 HB3 CYS 16 -1.108 1.137 1.371
83 HB3 CYS 16 HB2 CYS 16 0.612 1.210 1.621
84 H LEU 17 H LEU 17 1.945 2.457 3.596
85 HA LEU 17 HA LEU 17 2.113 0.860 5.906
86 HB2 LEU 17 HB3 LEU 17 4.035 2.885 4.741
87 HB3 LEU 17 HB2 LEU 17 4.431 1.984 6.195
88 HG LEU 17 HG LEU 17 3.933 0.801 3.435
89 HD11 LEU 17 HD11 LEU 17 6.483 0.938 5.076
90 HD12 LEU 17 HD12 LEU 17 6.125 1.896 3.636
91 HD13 LEU 17 HD13 LEU 17 6.294 0.147 3.507
92 HD21 LEU 17 HD21 LEU 17 4.606 -0.629 6.029
93 HD22 LEU 17 HD22 LEU 17 4.532 -1.366 4.427
94 HD23 LEU 17 HD23 LEU 17 3.072 -0.712 5.158
95 H VAL 18 H VAL 18 0.981 4.123 5.834
96 HA VAL 18 HA VAL 18 1.941 4.904 8.458
97 HB VAL 18 HB VAL 18 1.372 6.619 6.734
98 HG11 VAL 18 HG11 VAL 18 -0.956 7.184 6.203
99 HG12 VAL 18 HG12 VAL 18 -1.532 5.842 7.195
100 HG13 VAL 18 HG13 VAL 18 -0.594 5.523 5.737
101 HG21 VAL 18 HG21 VAL 18 -0.318 6.888 9.260
102 HG22 VAL 18 HG22 VAL 18 0.200 8.216 8.214
103 HG23 VAL 18 HG23 VAL 18 1.399 7.288 9.114
104 H GLN 19 H GLN 19 -0.617 2.948 7.321
105 HA GLN 19 HA GLN 19 -2.142 3.042 9.859
106 HB2 GLN 19 HB3 GLN 19 -4.232 3.110 8.466
107 HB3 GLN 19 HB2 GLN 19 -3.257 4.551 8.301
108 HG2 GLN 19 HG3 GLN 19 -2.298 3.472 6.207
109 HG3 GLN 19 HG2 GLN 19 -3.585 2.287 6.324
110 HE21 GLN 19 HE21 GLN 19 -2.888 4.444 4.353
111 HE22 GLN 19 HE22 GLN 19 -4.363 5.330 4.139
112 H CYS 20 H CYS 20 -0.804 1.224 7.278
113 HA CYS 20 HA CYS 20 -2.109 -1.279 8.141
114 HB2 CYS 20 HB3 CYS 20 -1.464 -0.519 5.265
115 HB3 CYS 20 HB2 CYS 20 -2.140 -2.040 5.789
116 H ALA 21 H ALA 21 -0.865 -3.185 7.244
117 HA ALA 21 HA ALA 21 1.912 -2.992 8.105
118 HB1 ALA 21 HB1 ALA 21 0.466 -4.801 8.952
119 HB2 ALA 21 HB2 ALA 21 1.816 -5.465 8.032
120 HB3 ALA 21 HB3 ALA 21 0.208 -5.387 7.306
121 HA PRO 22 HA PRO 22 3.977 -3.279 3.997
122 HB2 PRO 22 HB3 PRO 22 5.417 -5.585 5.358
123 HB3 PRO 22 HB2 PRO 22 6.091 -4.264 4.375
124 HG2 PRO 22 HG3 PRO 22 6.301 -4.196 7.015
125 HG3 PRO 22 HG2 PRO 22 5.934 -2.710 6.104
126 HD2 PRO 22 HD3 PRO 22 4.103 -4.388 7.768
127 HD3 PRO 22 HD2 PRO 22 4.089 -2.642 7.510
128 H SER 23 H SER 23 2.570 -6.127 5.571
129 HA SER 23 HA SER 23 2.530 -7.889 3.375
130 HB2 SER 23 HB3 SER 23 0.505 -7.662 5.643
131 HB3 SER 23 HB2 SER 23 0.761 -9.073 4.613
132 HG SER 23 HG SER 23 3.080 -8.751 5.475
133 H ILE 24 H ILE 24 0.235 -5.330 4.376
134 HA ILE 24 HA ILE 24 -1.742 -5.851 2.368
135 HB ILE 24 HB ILE 24 -1.193 -3.441 4.154
136 HG12 ILE 24 HG13 ILE 24 -2.120 -5.222 5.455
137 HG13 ILE 24 HG12 ILE 24 -3.461 -4.108 5.139
138 HG21 ILE 24 HG21 ILE 24 -2.188 -2.525 2.138
139 HG22 ILE 24 HG22 ILE 24 -3.358 -2.470 3.454
140 HG23 ILE 24 HG23 ILE 24 -3.496 -3.707 2.202
141 HD11 ILE 24 HD11 ILE 24 -4.258 -5.616 3.359
142 HD12 ILE 24 HD12 ILE 24 -4.192 -6.402 4.933
143 HD13 ILE 24 HD13 ILE 24 -2.949 -6.741 3.731
144 H CYS 25 H CYS 25 0.784 -3.391 2.750
145 HA CYS 25 HA CYS 25 0.335 -1.961 0.380
146 HB2 CYS 25 HB3 CYS 25 3.033 -2.184 1.731
147 HB3 CYS 25 HB2 CYS 25 2.332 -0.791 0.925
148 H ALA 26 H ALA 26 2.373 -4.771 1.079
149 HA ALA 26 HA ALA 26 3.807 -5.011 -1.320
150 HB1 ALA 26 HB1 ALA 26 2.776 -7.259 0.451
151 HB2 ALA 26 HB2 ALA 26 4.295 -6.388 0.662
152 HB3 ALA 26 HB3 ALA 26 4.053 -7.404 -0.761
153 H GLY 27 H GLY 27 0.477 -5.886 -0.527
154 HA2 GLY 27 HA3 GLY 27 0.045 -7.612 -2.811
155 HA3 GLY 27 HA2 GLY 27 -1.154 -7.064 -1.652
156 H TRP 28 H TRP 28 -0.823 -4.300 -1.902
157 HA TRP 28 HA TRP 28 -2.437 -3.823 -4.249
158 HB2 TRP 28 HB3 TRP 28 -1.411 -1.909 -2.117
159 HB3 TRP 28 HB2 TRP 28 -2.574 -1.491 -3.370
160 HD1 TRP 28 HD1 TRP 28 -2.562 -2.345 0.108
161 HE1 TRP 28 HE1 TRP 28 -4.834 -3.265 0.901
162 HE3 TRP 28 HE3 TRP 28 -4.630 -3.473 -4.440
163 HZ2 TRP 28 HZ2 TRP 28 -7.151 -4.368 -0.228
164 HZ3 TRP 28 HZ3 TRP 28 -6.877 -4.482 -4.492
165 HH2 TRP 28 HH2 TRP 28 -8.114 -4.920 -2.426
166 H CYS 29 H CYS 29 0.816 -2.829 -3.176
167 HA CYS 29 HA CYS 29 1.513 -1.318 -5.478
168 HB2 CYS 29 HB3 CYS 29 3.071 -2.653 -3.273
169 HB3 CYS 29 HB2 CYS 29 3.948 -2.027 -4.662
170 H GLY 30 H GLY 30 2.460 -4.612 -4.505
171 HA2 GLY 30 HA3 GLY 30 3.043 -6.441 -5.746
172 HA3 GLY 30 HA2 GLY 30 2.757 -5.561 -7.238
173 H GLY 31 H GLY 31 4.372 -3.466 -7.191
174 HA2 GLY 31 HA3 GLY 31 6.987 -4.304 -7.697
175 HA3 GLY 31 HA2 GLY 31 6.477 -2.645 -7.430
176 H SER 32 H SER 32 8.149 -5.304 -6.147
177 HA SER 32 HA SER 32 9.106 -3.838 -3.843
178 HB2 SER 32 HB3 SER 32 7.023 -4.878 -2.943
179 HB3 SER 32 HB2 SER 32 7.580 -6.469 -3.465
180 HG SER 32 HG SER 32 9.133 -6.444 -1.937
Start of MODEL 11
1 H1 SER 1 HT1 SER 1 -3.844 -3.672 8.360
2 H2 SER 1 HT2 SER 1 -5.232 -4.367 9.028
3 H3 SER 1 HT3 SER 1 -4.746 -2.823 9.504
4 HA SER 1 HA SER 1 -5.661 -3.583 6.791
5 HB2 SER 1 HB3 SER 1 -7.464 -3.536 8.540
6 HB3 SER 1 HB2 SER 1 -7.028 -1.875 8.923
7 HG SER 1 HG SER 1 -8.593 -1.562 7.501
8 H CYS 2 H CYS 2 -6.501 -1.255 5.870
9 HA CYS 2 HA CYS 2 -4.691 0.959 6.395
10 HB2 CYS 2 HB3 CYS 2 -3.562 -0.690 4.714
11 HB3 CYS 2 HB2 CYS 2 -4.745 -0.149 3.565
12 H GLY 3 H GLY 3 -5.241 2.618 4.378
13 HA2 GLY 3 HA3 GLY 3 -8.111 3.074 4.450
14 HA3 GLY 3 HA2 GLY 3 -6.899 4.087 3.680
15 H SER 4 H SER 4 -5.894 1.472 2.348
16 HA SER 4 HA SER 4 -6.030 0.403 0.395
17 HB2 SER 4 HB3 SER 4 -9.036 0.893 0.539
18 HB3 SER 4 HB2 SER 4 -8.239 -0.229 -0.567
19 HG SER 4 HG SER 4 -8.135 -1.632 0.976
20 H GLU 5 H GLU 5 -6.126 3.463 0.695
21 HA GLU 5 HA GLU 5 -6.675 4.206 -2.126
22 HB2 GLU 5 HB3 GLU 5 -6.979 5.824 0.431
23 HB3 GLU 5 HB2 GLU 5 -7.181 6.494 -1.186
24 HG2 GLU 5 HG3 GLU 5 -8.879 4.288 0.020
25 HG3 GLU 5 HG2 GLU 5 -9.331 5.987 -0.046
26 H CYS 6 H CYS 6 -4.222 3.501 -0.143
27 HA CYS 6 HA CYS 6 -2.382 5.516 -1.250
28 HB2 CYS 6 HB3 CYS 6 -2.342 3.877 1.295
29 HB3 CYS 6 HB2 CYS 6 -0.929 4.691 0.675
30 H ALA 7 H ALA 7 -3.457 3.075 -2.494
31 HA ALA 7 HA ALA 7 -1.028 1.620 -3.206
32 HB1 ALA 7 HB1 ALA 7 -3.164 0.425 -2.960
33 HB2 ALA 7 HB2 ALA 7 -2.501 0.257 -4.588
34 HB3 ALA 7 HB3 ALA 7 -3.838 1.370 -4.287
35 HA PRO 8 HA PRO 8 -2.558 3.863 -7.365
36 HB2 PRO 8 HB3 PRO 8 -2.490 6.770 -6.727
37 HB3 PRO 8 HB2 PRO 8 -3.800 5.804 -7.406
38 HG2 PRO 8 HG3 PRO 8 -3.925 6.805 -4.914
39 HG3 PRO 8 HG2 PRO 8 -4.648 5.232 -5.318
40 HD2 PRO 8 HD3 PRO 8 -1.966 5.776 -4.015
41 HD3 PRO 8 HD2 PRO 8 -3.257 4.639 -3.546
42 H GLU 9 H GLU 9 -0.366 5.815 -5.379
43 HA GLU 9 HA GLU 9 0.839 7.127 -7.561
44 HB2 GLU 9 HB3 GLU 9 1.656 6.964 -4.623
45 HB3 GLU 9 HB2 GLU 9 2.260 8.127 -5.788
46 HG2 GLU 9 HG3 GLU 9 -0.570 7.908 -4.726
47 HG3 GLU 9 HG2 GLU 9 0.587 9.196 -4.393
48 HA PRO 10 HA PRO 10 4.499 4.494 -8.231
49 HB2 PRO 10 HB3 PRO 10 6.449 6.396 -8.707
50 HB3 PRO 10 HB2 PRO 10 5.217 5.953 -9.908
51 HG2 PRO 10 HG3 PRO 10 5.242 8.290 -8.016
52 HG3 PRO 10 HG2 PRO 10 4.829 8.250 -9.745
53 HD2 PRO 10 HD3 PRO 10 2.914 8.282 -7.856
54 HD3 PRO 10 HD2 PRO 10 2.709 7.365 -9.367
55 H ASP 11 H ASP 11 4.551 7.150 -5.958
56 HA ASP 11 HA ASP 11 6.528 5.821 -4.200
57 HB2 ASP 11 HB3 ASP 11 6.929 8.032 -3.237
58 HB3 ASP 11 HB2 ASP 11 7.076 8.146 -4.985
59 H CYS 12 H CYS 12 3.748 5.020 -4.458
60 HA CYS 12 HA CYS 12 1.876 5.981 -2.642
61 HB2 CYS 12 HB3 CYS 12 1.043 3.562 -2.707
62 HB3 CYS 12 HB2 CYS 12 1.145 4.422 -4.239
63 H TRP 13 H TRP 13 4.721 4.076 -1.922
64 HA TRP 13 HA TRP 13 4.164 2.898 0.510
65 HB2 TRP 13 HB3 TRP 13 6.737 4.219 -0.443
66 HB3 TRP 13 HB2 TRP 13 6.611 3.102 0.849
67 HD1 TRP 13 HD1 TRP 13 6.464 3.214 -2.939
68 HE1 TRP 13 HE1 TRP 13 6.803 0.825 -3.860
69 HE3 TRP 13 HE3 TRP 13 6.386 0.716 1.438
70 HZ2 TRP 13 HZ2 TRP 13 7.014 -1.808 -2.809
71 HZ3 TRP 13 HZ3 TRP 13 6.662 -1.739 1.460
72 HH2 TRP 13 HH2 TRP 13 6.972 -2.983 -0.639
73 H GLY 14 H GLY 14 4.947 6.213 -0.282
74 HA2 GLY 14 HA3 GLY 14 5.475 7.182 2.385
75 HA3 GLY 14 HA2 GLY 14 5.208 8.160 0.948
76 H CYS 15 H CYS 15 2.657 6.650 0.525
77 HA CYS 15 HA CYS 15 0.854 8.378 2.009
78 HB2 CYS 15 HB3 CYS 15 0.626 7.678 -0.459
79 HB3 CYS 15 HB2 CYS 15 0.144 6.112 0.107
80 H CYS 16 H CYS 16 1.678 4.999 1.699
81 HA CYS 16 HA CYS 16 -0.530 4.004 3.258
82 HB2 CYS 16 HB3 CYS 16 0.108 2.758 1.369
83 HB3 CYS 16 HB2 CYS 16 1.803 2.792 1.778
84 H LEU 17 H LEU 17 3.038 3.872 3.669
85 HA LEU 17 HA LEU 17 2.996 2.583 6.167
86 HB2 LEU 17 HB3 LEU 17 5.126 4.186 4.741
87 HB3 LEU 17 HB2 LEU 17 5.415 3.572 6.362
88 HG LEU 17 HG LEU 17 4.492 1.299 5.032
89 HD11 LEU 17 HD11 LEU 17 4.582 2.374 2.869
90 HD12 LEU 17 HD12 LEU 17 5.757 1.068 2.987
91 HD13 LEU 17 HD13 LEU 17 6.293 2.749 3.101
92 HD21 LEU 17 HD21 LEU 17 6.321 1.276 6.589
93 HD22 LEU 17 HD22 LEU 17 7.363 2.137 5.445
94 HD23 LEU 17 HD23 LEU 17 6.804 0.498 5.074
95 H VAL 18 H VAL 18 2.037 5.825 5.685
96 HA VAL 18 HA VAL 18 3.105 6.827 8.228
97 HB VAL 18 HB VAL 18 2.796 8.417 6.342
98 HG11 VAL 18 HG11 VAL 18 0.579 9.170 5.625
99 HG12 VAL 18 HG12 VAL 18 -0.188 7.985 6.689
100 HG13 VAL 18 HG13 VAL 18 0.792 7.446 5.326
101 HG21 VAL 18 HG21 VAL 18 1.019 9.106 8.720
102 HG22 VAL 18 HG22 VAL 18 1.746 10.263 7.595
103 HG23 VAL 18 HG23 VAL 18 2.776 9.298 8.651
104 H GLN 19 H GLN 19 0.550 4.874 7.274
105 HA GLN 19 HA GLN 19 -0.991 5.224 9.746
106 HB2 GLN 19 HB3 GLN 19 -3.097 5.413 8.401
107 HB3 GLN 19 HB2 GLN 19 -2.030 6.778 8.178
108 HG2 GLN 19 HG3 GLN 19 -1.220 5.720 6.087
109 HG3 GLN 19 HG2 GLN 19 -2.423 4.459 6.275
110 HE21 GLN 19 HE21 GLN 19 -1.963 6.517 4.203
111 HE22 GLN 19 HE22 GLN 19 -3.478 7.331 4.022
112 H CYS 20 H CYS 20 0.458 3.152 7.538
113 HA CYS 20 HA CYS 20 -1.091 0.816 8.431
114 HB2 CYS 20 HB3 CYS 20 -0.272 1.056 5.511
115 HB3 CYS 20 HB2 CYS 20 -1.446 -0.017 6.235
116 H ALA 21 H ALA 21 0.154 -1.242 7.762
117 HA ALA 21 HA ALA 21 2.882 -0.999 8.671
118 HB1 ALA 21 HB1 ALA 21 2.874 -3.463 8.615
119 HB2 ALA 21 HB2 ALA 21 1.318 -3.454 7.780
120 HB3 ALA 21 HB3 ALA 21 1.439 -2.853 9.437
121 HA PRO 22 HA PRO 22 5.070 -1.320 4.599
122 HB2 PRO 22 HB3 PRO 22 7.100 -3.066 5.566
123 HB3 PRO 22 HB2 PRO 22 7.176 -1.297 5.549
124 HG2 PRO 22 HG3 PRO 22 6.426 -3.124 7.796
125 HG3 PRO 22 HG2 PRO 22 7.369 -1.616 7.830
126 HD2 PRO 22 HD3 PRO 22 4.829 -1.612 8.648
127 HD3 PRO 22 HD2 PRO 22 5.447 -0.257 7.699
128 H SER 23 H SER 23 4.135 -4.086 6.582
129 HA SER 23 HA SER 23 4.250 -6.133 4.657
130 HB2 SER 23 HB3 SER 23 2.254 -5.828 6.945
131 HB3 SER 23 HB2 SER 23 2.748 -7.339 6.173
132 HG SER 23 HG SER 23 4.644 -7.264 7.190
133 H ILE 24 H ILE 24 1.774 -3.711 5.424
134 HA ILE 24 HA ILE 24 -0.272 -4.693 3.661
135 HB ILE 24 HB ILE 24 0.131 -2.002 5.045
136 HG12 ILE 24 HG13 ILE 24 -0.227 -3.814 6.659
137 HG13 ILE 24 HG12 ILE 24 -1.631 -2.747 6.608
138 HG21 ILE 24 HG21 ILE 24 -2.263 -1.577 4.600
139 HG22 ILE 24 HG22 ILE 24 -2.307 -3.009 3.572
140 HG23 ILE 24 HG23 ILE 24 -1.286 -1.639 3.133
141 HD11 ILE 24 HD11 ILE 24 -2.298 -5.072 6.810
142 HD12 ILE 24 HD12 ILE 24 -1.432 -5.488 5.333
143 HD13 ILE 24 HD13 ILE 24 -2.837 -4.420 5.264
144 H CYS 25 H CYS 25 2.081 -2.033 3.577
145 HA CYS 25 HA CYS 25 1.361 -0.856 1.122
146 HB2 CYS 25 HB3 CYS 25 4.071 -0.808 2.494
147 HB3 CYS 25 HB2 CYS 25 3.436 0.405 1.395
148 H ALA 26 H ALA 26 3.646 -3.417 1.951
149 HA ALA 26 HA ALA 26 4.865 -3.864 -0.536
150 HB1 ALA 26 HB1 ALA 26 4.141 -5.910 1.589
151 HB2 ALA 26 HB2 ALA 26 5.601 -4.919 1.563
152 HB3 ALA 26 HB3 ALA 26 5.336 -6.125 0.304
153 H GLY 27 H GLY 27 1.649 -4.725 0.603
154 HA2 GLY 27 HA3 GLY 27 1.081 -6.603 -1.544
155 HA3 GLY 27 HA2 GLY 27 -0.027 -6.051 -0.297
156 H TRP 28 H TRP 28 0.416 -3.208 -0.820
157 HA TRP 28 HA TRP 28 -1.506 -2.882 -2.967
158 HB2 TRP 28 HB3 TRP 28 -0.172 -0.876 -1.106
159 HB3 TRP 28 HB2 TRP 28 -1.353 -0.424 -2.327
160 HD1 TRP 28 HD1 TRP 28 -1.209 -1.154 1.222
161 HE1 TRP 28 HE1 TRP 28 -3.519 -1.778 2.167
162 HE3 TRP 28 HE3 TRP 28 -3.708 -2.020 -3.166
163 HZ2 TRP 28 HZ2 TRP 28 -6.035 -2.531 1.215
164 HZ3 TRP 28 HZ3 TRP 28 -6.075 -2.696 -3.054
165 HH2 TRP 28 HH2 TRP 28 -7.216 -2.946 -0.904
166 H CYS 29 H CYS 29 1.799 -1.676 -2.341
167 HA CYS 29 HA CYS 29 1.985 -0.350 -4.899
168 HB2 CYS 29 HB3 CYS 29 4.006 -0.777 -2.678
169 HB3 CYS 29 HB2 CYS 29 4.316 0.183 -4.123
170 H GLY 30 H GLY 30 4.109 -2.876 -3.413
171 HA2 GLY 30 HA3 GLY 30 4.789 -3.845 -6.124
172 HA3 GLY 30 HA2 GLY 30 6.063 -3.223 -5.094
173 H GLY 31 H GLY 31 4.082 -5.923 -5.823
174 HA2 GLY 31 HA3 GLY 31 4.540 -7.454 -3.431
175 HA3 GLY 31 HA2 GLY 31 3.876 -8.044 -4.945
176 H SER 32 H SER 32 6.899 -7.170 -3.323
177 HA SER 32 HA SER 32 8.407 -9.197 -4.820
178 HB2 SER 32 HB3 SER 32 8.594 -7.122 -6.183
179 HB3 SER 32 HB2 SER 32 9.201 -6.240 -4.781
180 HG SER 32 HG SER 32 11.056 -6.852 -5.612
Start of MODEL 12
1 H1 SER 1 HT1 SER 1 -5.160 -3.644 7.313
2 H2 SER 1 HT2 SER 1 -3.513 -4.003 7.370
3 H3 SER 1 HT3 SER 1 -4.590 -5.090 6.652
4 HA SER 1 HA SER 1 -3.359 -3.875 4.982
5 HB2 SER 1 HB3 SER 1 -5.384 -3.043 3.715
6 HB3 SER 1 HB2 SER 1 -5.624 -4.633 4.443
7 HG SER 1 HG SER 1 -6.956 -2.307 4.900
8 H CYS 2 H CYS 2 -3.567 -1.666 3.708
9 HA CYS 2 HA CYS 2 -3.280 0.632 5.541
10 HB2 CYS 2 HB3 CYS 2 -1.768 0.053 3.395
11 HB3 CYS 2 HB2 CYS 2 -3.017 0.881 2.553
12 H GLY 3 H GLY 3 -4.242 2.696 3.997
13 HA2 GLY 3 HA3 GLY 3 -7.109 2.441 3.955
14 HA3 GLY 3 HA2 GLY 3 -6.157 3.821 3.424
15 H SER 4 H SER 4 -4.606 1.739 1.678
16 HA SER 4 HA SER 4 -4.485 1.115 -0.484
17 HB2 SER 4 HB3 SER 4 -6.558 -0.251 -0.109
18 HB3 SER 4 HB2 SER 4 -7.549 1.152 -0.506
19 HG SER 4 HG SER 4 -7.260 -0.277 -2.294
20 H GLU 5 H GLU 5 -4.377 3.734 0.506
21 HA GLU 5 HA GLU 5 -5.479 5.462 -1.660
22 HB2 GLU 5 HB3 GLU 5 -6.350 5.949 0.615
23 HB3 GLU 5 HB2 GLU 5 -4.704 6.153 1.205
24 HG2 GLU 5 HG3 GLU 5 -4.442 8.092 -0.374
25 HG3 GLU 5 HG2 GLU 5 -6.146 7.927 -0.790
26 H CYS 6 H CYS 6 -2.651 4.488 0.129
27 HA CYS 6 HA CYS 6 -0.899 6.419 -1.205
28 HB2 CYS 6 HB3 CYS 6 -0.592 4.689 1.264
29 HB3 CYS 6 HB2 CYS 6 0.655 5.717 0.604
30 H ALA 7 H ALA 7 -1.853 4.233 -2.710
31 HA ALA 7 HA ALA 7 0.626 2.767 -3.351
32 HB1 ALA 7 HB1 ALA 7 -1.467 1.503 -3.149
33 HB2 ALA 7 HB2 ALA 7 -0.795 1.387 -4.778
34 HB3 ALA 7 HB3 ALA 7 -2.167 2.450 -4.462
35 HA PRO 8 HA PRO 8 -0.795 5.300 -7.441
36 HB2 PRO 8 HB3 PRO 8 -0.244 8.106 -6.553
37 HB3 PRO 8 HB2 PRO 8 -1.663 7.449 -7.381
38 HG2 PRO 8 HG3 PRO 8 -1.781 8.220 -4.824
39 HG3 PRO 8 HG2 PRO 8 -2.696 6.810 -5.401
40 HD2 PRO 8 HD3 PRO 8 -0.054 6.849 -3.922
41 HD3 PRO 8 HD2 PRO 8 -1.502 5.859 -3.627
42 H GLU 9 H GLU 9 1.675 6.831 -5.389
43 HA GLU 9 HA GLU 9 3.081 7.896 -7.647
44 HB2 GLU 9 HB3 GLU 9 3.617 8.049 -4.641
45 HB3 GLU 9 HB2 GLU 9 4.430 9.000 -5.868
46 HG2 GLU 9 HG3 GLU 9 1.482 9.125 -5.177
47 HG3 GLU 9 HG2 GLU 9 2.695 10.331 -4.759
48 HA PRO 10 HA PRO 10 6.645 4.986 -7.491
49 HB2 PRO 10 HB3 PRO 10 8.711 6.639 -8.214
50 HB3 PRO 10 HB2 PRO 10 7.507 6.058 -9.385
51 HG2 PRO 10 HG3 PRO 10 7.622 8.705 -7.974
52 HG3 PRO 10 HG2 PRO 10 7.278 8.358 -9.682
53 HD2 PRO 10 HD3 PRO 10 5.306 8.869 -7.888
54 HD3 PRO 10 HD2 PRO 10 5.074 7.775 -9.271
55 H ASP 11 H ASP 11 6.356 7.877 -5.638
56 HA ASP 11 HA ASP 11 8.243 6.928 -3.557
57 HB2 ASP 11 HB3 ASP 11 8.404 9.287 -2.825
58 HB3 ASP 11 HB2 ASP 11 8.872 9.128 -4.513
59 H CYS 12 H CYS 12 5.458 6.070 -4.047
60 HA CYS 12 HA CYS 12 3.575 7.174 -2.256
61 HB2 CYS 12 HB3 CYS 12 2.479 4.911 -2.475
62 HB3 CYS 12 HB2 CYS 12 2.779 5.752 -3.993
63 H TRP 13 H TRP 13 6.337 5.144 -1.612
64 HA TRP 13 HA TRP 13 5.710 3.826 0.721
65 HB2 TRP 13 HB3 TRP 13 8.311 5.222 -0.026
66 HB3 TRP 13 HB2 TRP 13 8.131 4.103 1.248
67 HD1 TRP 13 HD1 TRP 13 8.250 4.190 -2.546
68 HE1 TRP 13 HE1 TRP 13 8.744 1.799 -3.410
69 HE3 TRP 13 HE3 TRP 13 7.931 1.736 1.849
70 HZ2 TRP 13 HZ2 TRP 13 8.972 -0.812 -2.301
71 HZ3 TRP 13 HZ3 TRP 13 8.289 -0.710 1.923
72 HH2 TRP 13 HH2 TRP 13 8.801 -1.963 -0.124
73 H GLY 14 H GLY 14 6.440 7.223 0.188
74 HA2 GLY 14 HA3 GLY 14 6.899 7.983 2.931
75 HA3 GLY 14 HA2 GLY 14 6.585 9.076 1.588
76 H CYS 15 H CYS 15 4.119 7.672 0.915
77 HA CYS 15 HA CYS 15 2.250 9.166 2.546
78 HB2 CYS 15 HB3 CYS 15 2.085 8.882 0.021
79 HB3 CYS 15 HB2 CYS 15 1.686 7.207 0.276
80 H CYS 16 H CYS 16 3.059 5.830 1.821
81 HA CYS 16 HA CYS 16 0.886 4.586 3.205
82 HB2 CYS 16 HB3 CYS 16 1.914 3.499 1.323
83 HB3 CYS 16 HB2 CYS 16 3.494 3.537 2.071
84 H LEU 17 H LEU 17 4.380 4.833 3.948
85 HA LEU 17 HA LEU 17 4.196 3.448 6.422
86 HB2 LEU 17 HB3 LEU 17 6.394 5.053 5.104
87 HB3 LEU 17 HB2 LEU 17 6.598 4.442 6.738
88 HG LEU 17 HG LEU 17 5.742 2.168 5.352
89 HD11 LEU 17 HD11 LEU 17 5.972 3.230 3.198
90 HD12 LEU 17 HD12 LEU 17 7.146 1.932 3.392
91 HD13 LEU 17 HD13 LEU 17 7.662 3.616 3.536
92 HD21 LEU 17 HD21 LEU 17 7.481 2.168 7.034
93 HD22 LEU 17 HD22 LEU 17 8.602 2.960 5.914
94 HD23 LEU 17 HD23 LEU 17 8.009 1.328 5.574
95 H VAL 18 H VAL 18 3.081 6.590 5.922
96 HA VAL 18 HA VAL 18 3.953 7.609 8.551
97 HB VAL 18 HB VAL 18 3.664 9.223 6.643
98 HG11 VAL 18 HG11 VAL 18 1.429 9.942 5.929
99 HG12 VAL 18 HG12 VAL 18 0.692 8.693 6.935
100 HG13 VAL 18 HG13 VAL 18 1.699 8.239 5.564
101 HG21 VAL 18 HG21 VAL 18 1.842 9.791 9.015
102 HG22 VAL 18 HG22 VAL 18 2.544 11.003 7.933
103 HG23 VAL 18 HG23 VAL 18 3.593 10.039 8.975
104 H GLN 19 H GLN 19 1.562 5.567 7.337
105 HA GLN 19 HA GLN 19 -0.155 5.752 9.709
106 HB2 GLN 19 HB3 GLN 19 -2.173 5.962 8.246
107 HB3 GLN 19 HB2 GLN 19 -1.132 7.358 8.152
108 HG2 GLN 19 HG3 GLN 19 -0.168 6.374 6.058
109 HG3 GLN 19 HG2 GLN 19 -1.408 5.135 6.116
110 HE21 GLN 19 HE21 GLN 19 -0.785 7.314 4.178
111 HE22 GLN 19 HE22 GLN 19 -2.281 8.160 3.958
112 H CYS 20 H CYS 20 1.509 3.822 7.534
113 HA CYS 20 HA CYS 20 0.105 1.396 8.365
114 HB2 CYS 20 HB3 CYS 20 0.800 1.819 5.420
115 HB3 CYS 20 HB2 CYS 20 -0.037 0.474 6.134
116 H ALA 21 H ALA 21 1.431 -0.551 7.808
117 HA ALA 21 HA ALA 21 4.147 -0.113 8.702
118 HB1 ALA 21 HB1 ALA 21 4.221 -2.583 8.862
119 HB2 ALA 21 HB2 ALA 21 2.655 -2.688 8.054
120 HB3 ALA 21 HB3 ALA 21 2.778 -1.940 9.648
121 HA PRO 22 HA PRO 22 6.239 -0.695 4.632
122 HB2 PRO 22 HB3 PRO 22 8.420 -2.241 5.495
123 HB3 PRO 22 HB2 PRO 22 8.345 -0.472 5.570
124 HG2 PRO 22 HG3 PRO 22 7.801 -2.459 7.746
125 HG3 PRO 22 HG2 PRO 22 8.674 -0.911 7.820
126 HD2 PRO 22 HD3 PRO 22 6.148 -1.090 8.711
127 HD3 PRO 22 HD2 PRO 22 6.703 0.361 7.863
128 H SER 23 H SER 23 5.324 -3.331 6.750
129 HA SER 23 HA SER 23 5.424 -5.545 5.063
130 HB2 SER 23 HB3 SER 23 3.268 -4.838 7.107
131 HB3 SER 23 HB2 SER 23 3.587 -6.454 6.472
132 HG SER 23 HG SER 23 4.947 -6.608 8.052
133 H ILE 24 H ILE 24 3.058 -2.902 5.263
134 HA ILE 24 HA ILE 24 1.243 -4.053 3.296
135 HB ILE 24 HB ILE 24 1.173 -1.213 4.421
136 HG12 ILE 24 HG13 ILE 24 1.130 -2.667 6.390
137 HG13 ILE 24 HG12 ILE 24 -0.481 -1.997 6.099
138 HG21 ILE 24 HG21 ILE 24 -0.237 -1.591 2.481
139 HG22 ILE 24 HG22 ILE 24 -1.236 -1.396 3.916
140 HG23 ILE 24 HG23 ILE 24 -0.972 -3.005 3.242
141 HD11 ILE 24 HD11 ILE 24 0.412 -4.819 5.454
142 HD12 ILE 24 HD12 ILE 24 -1.195 -4.149 5.160
143 HD13 ILE 24 HD13 ILE 24 -0.600 -4.317 6.810
144 H CYS 25 H CYS 25 3.590 -1.412 3.560
145 HA CYS 25 HA CYS 25 3.058 -0.084 1.130
146 HB2 CYS 25 HB3 CYS 25 5.625 -0.110 2.755
147 HB3 CYS 25 HB2 CYS 25 5.106 1.155 1.648
148 H ALA 26 H ALA 26 5.219 -2.764 1.934
149 HA ALA 26 HA ALA 26 6.642 -2.905 -0.531
150 HB1 ALA 26 HB1 ALA 26 6.022 -5.130 1.444
151 HB2 ALA 26 HB2 ALA 26 7.409 -4.042 1.515
152 HB3 ALA 26 HB3 ALA 26 7.253 -5.177 0.175
153 H GLY 27 H GLY 27 3.427 -3.865 0.388
154 HA2 GLY 27 HA3 GLY 27 2.944 -5.713 -1.786
155 HA3 GLY 27 HA2 GLY 27 1.760 -5.058 -0.665
156 H TRP 28 H TRP 28 2.016 -2.346 -1.031
157 HA TRP 28 HA TRP 28 0.615 -1.944 -3.526
158 HB2 TRP 28 HB3 TRP 28 1.496 0.071 -1.414
159 HB3 TRP 28 HB2 TRP 28 0.431 0.432 -2.768
160 HD1 TRP 28 HD1 TRP 28 0.282 -0.519 0.772
161 HE1 TRP 28 HE1 TRP 28 -2.072 -1.312 1.420
162 HE3 TRP 28 HE3 TRP 28 -1.712 -1.163 -3.908
163 HZ2 TRP 28 HZ2 TRP 28 -4.434 -2.107 0.152
164 HZ3 TRP 28 HZ3 TRP 28 -4.032 -1.972 -4.099
165 HH2 TRP 28 HH2 TRP 28 -5.369 -2.434 -2.104
166 H CYS 29 H CYS 29 3.461 -0.297 -2.141
167 HA CYS 29 HA CYS 29 4.151 1.032 -4.559
168 HB2 CYS 29 HB3 CYS 29 5.612 0.670 -1.927
169 HB3 CYS 29 HB2 CYS 29 6.185 1.713 -3.232
170 H GLY 30 H GLY 30 5.223 -1.965 -3.060
171 HA2 GLY 30 HA3 GLY 30 7.557 -2.238 -4.780
172 HA3 GLY 30 HA2 GLY 30 7.058 -3.317 -3.484
173 H GLY 31 H GLY 31 7.597 -4.986 -5.026
174 HA2 GLY 31 HA3 GLY 31 5.620 -6.494 -6.040
175 HA3 GLY 31 HA2 GLY 31 5.909 -5.384 -7.379
176 H SER 32 H SER 32 6.367 -8.328 -7.172
177 HA SER 32 HA SER 32 9.103 -8.400 -8.210
178 HB2 SER 32 HB3 SER 32 9.296 -8.942 -5.758
179 HB3 SER 32 HB2 SER 32 8.190 -10.297 -5.983
180 HG SER 32 HG SER 32 10.646 -9.989 -7.379
Start of MODEL 13
1 H1 SER 1 HT1 SER 1 -6.294 -2.505 8.670
2 H2 SER 1 HT2 SER 1 -4.898 -1.597 8.956
3 H3 SER 1 HT3 SER 1 -4.900 -3.262 9.257
4 HA SER 1 HA SER 1 -3.726 -2.740 7.222
5 HB2 SER 1 HB3 SER 1 -4.935 -4.912 7.421
6 HB3 SER 1 HB2 SER 1 -6.386 -4.170 6.750
7 HG SER 1 HG SER 1 -5.387 -3.988 4.786
8 H CYS 2 H CYS 2 -3.838 -1.957 5.022
9 HA CYS 2 HA CYS 2 -5.229 0.498 4.693
10 HB2 CYS 2 HB3 CYS 2 -3.601 -1.195 2.787
11 HB3 CYS 2 HB2 CYS 2 -4.305 0.311 2.318
12 H GLY 3 H GLY 3 -6.597 0.976 2.780
13 HA2 GLY 3 HA3 GLY 3 -8.847 -0.945 2.669
14 HA3 GLY 3 HA2 GLY 3 -8.945 0.805 2.607
15 H SER 4 H SER 4 -6.469 -0.638 0.710
16 HA SER 4 HA SER 4 -6.018 -0.660 -1.464
17 HB2 SER 4 HB3 SER 4 -9.008 -0.806 -2.016
18 HB3 SER 4 HB2 SER 4 -7.713 -1.283 -3.120
19 HG SER 4 HG SER 4 -8.473 -2.497 -0.676
20 H GLU 5 H GLU 5 -6.859 1.796 0.075
21 HA GLU 5 HA GLU 5 -7.614 3.708 -2.023
22 HB2 GLU 5 HB3 GLU 5 -7.265 4.000 0.990
23 HB3 GLU 5 HB2 GLU 5 -7.856 5.271 -0.082
24 HG2 GLU 5 HG3 GLU 5 -9.878 4.037 -0.558
25 HG3 GLU 5 HG2 GLU 5 -9.259 2.597 0.247
26 H CYS 6 H CYS 6 -4.917 2.575 -0.159
27 HA CYS 6 HA CYS 6 -3.117 4.638 -1.205
28 HB2 CYS 6 HB3 CYS 6 -2.824 2.492 0.913
29 HB3 CYS 6 HB2 CYS 6 -1.485 3.443 0.314
30 H ALA 7 H ALA 7 -4.272 2.951 -3.061
31 HA ALA 7 HA ALA 7 -1.848 1.684 -4.195
32 HB1 ALA 7 HB1 ALA 7 -3.704 0.129 -3.812
33 HB2 ALA 7 HB2 ALA 7 -3.328 0.285 -5.528
34 HB3 ALA 7 HB3 ALA 7 -4.738 1.109 -4.852
35 HA PRO 8 HA PRO 8 -3.940 4.856 -7.466
36 HB2 PRO 8 HB3 PRO 8 -2.812 7.311 -6.148
37 HB3 PRO 8 HB2 PRO 8 -4.408 7.054 -6.867
38 HG2 PRO 8 HG3 PRO 8 -4.115 7.237 -4.223
39 HG3 PRO 8 HG2 PRO 8 -5.273 6.084 -4.931
40 HD2 PRO 8 HD3 PRO 8 -2.485 5.525 -3.888
41 HD3 PRO 8 HD2 PRO 8 -3.997 4.645 -3.605
42 H GLU 9 H GLU 9 -1.046 5.704 -5.642
43 HA GLU 9 HA GLU 9 0.296 6.798 -7.919
44 HB2 GLU 9 HB3 GLU 9 1.048 6.482 -4.984
45 HB3 GLU 9 HB2 GLU 9 2.019 7.339 -6.167
46 HG2 GLU 9 HG3 GLU 9 -0.778 8.090 -5.274
47 HG3 GLU 9 HG2 GLU 9 0.716 8.894 -4.794
48 HA PRO 10 HA PRO 10 3.170 3.287 -8.635
49 HB2 PRO 10 HB3 PRO 10 5.495 4.760 -9.155
50 HB3 PRO 10 HB2 PRO 10 4.243 4.427 -10.367
51 HG2 PRO 10 HG3 PRO 10 4.630 6.891 -8.693
52 HG3 PRO 10 HG2 PRO 10 4.230 6.752 -10.423
53 HD2 PRO 10 HD3 PRO 10 2.317 7.303 -8.636
54 HD3 PRO 10 HD2 PRO 10 1.988 6.220 -10.008
55 H ASP 11 H ASP 11 4.214 6.087 -6.687
56 HA ASP 11 HA ASP 11 5.496 4.361 -4.692
57 HB2 ASP 11 HB3 ASP 11 6.640 6.478 -5.342
58 HB3 ASP 11 HB2 ASP 11 5.248 7.409 -4.797
59 H CYS 12 H CYS 12 3.376 3.333 -4.386
60 HA CYS 12 HA CYS 12 1.266 4.666 -2.963
61 HB2 CYS 12 HB3 CYS 12 0.364 2.508 -2.606
62 HB3 CYS 12 HB2 CYS 12 1.037 2.465 -4.223
63 H TRP 13 H TRP 13 4.340 3.299 -2.122
64 HA TRP 13 HA TRP 13 4.261 2.532 0.487
65 HB2 TRP 13 HB3 TRP 13 6.415 4.273 -0.758
66 HB3 TRP 13 HB2 TRP 13 6.599 3.215 0.570
67 HD1 TRP 13 HD1 TRP 13 6.722 3.284 -3.150
68 HE1 TRP 13 HE1 TRP 13 7.400 0.964 -4.052
69 HE3 TRP 13 HE3 TRP 13 6.372 0.678 1.154
70 HZ2 TRP 13 HZ2 TRP 13 7.753 -1.659 -3.026
71 HZ3 TRP 13 HZ3 TRP 13 6.893 -1.750 1.163
72 HH2 TRP 13 HH2 TRP 13 7.570 -2.892 -0.898
73 H GLY 14 H GLY 14 4.202 5.767 -0.845
74 HA2 GLY 14 HA3 GLY 14 4.822 7.259 1.523
75 HA3 GLY 14 HA2 GLY 14 4.069 7.889 0.063
76 H CYS 15 H CYS 15 1.862 6.108 0.085
77 HA CYS 15 HA CYS 15 0.038 7.579 1.798
78 HB2 CYS 15 HB3 CYS 15 -0.447 6.869 -0.589
79 HB3 CYS 15 HB2 CYS 15 -0.532 5.221 -0.047
80 H CYS 16 H CYS 16 1.276 4.362 1.433
81 HA CYS 16 HA CYS 16 -0.639 3.112 3.186
82 HB2 CYS 16 HB3 CYS 16 -0.208 1.937 1.223
83 HB3 CYS 16 HB2 CYS 16 1.512 2.200 1.296
84 H LEU 17 H LEU 17 2.934 3.387 3.119
85 HA LEU 17 HA LEU 17 3.497 1.893 5.397
86 HB2 LEU 17 HB3 LEU 17 5.042 4.093 4.026
87 HB3 LEU 17 HB2 LEU 17 5.694 3.301 5.456
88 HG LEU 17 HG LEU 17 5.036 1.937 2.811
89 HD11 LEU 17 HD11 LEU 17 7.060 3.297 2.672
90 HD12 LEU 17 HD12 LEU 17 7.460 1.582 2.630
91 HD13 LEU 17 HD13 LEU 17 7.712 2.508 4.112
92 HD21 LEU 17 HD21 LEU 17 4.613 0.411 4.680
93 HD22 LEU 17 HD22 LEU 17 6.215 0.748 5.341
94 HD23 LEU 17 HD23 LEU 17 6.052 -0.073 3.788
95 H VAL 18 H VAL 18 2.158 5.093 5.419
96 HA VAL 18 HA VAL 18 3.232 5.872 7.990
97 HB VAL 18 HB VAL 18 2.637 7.631 6.410
98 HG11 VAL 18 HG11 VAL 18 0.311 8.143 5.765
99 HG12 VAL 18 HG12 VAL 18 -0.245 6.696 6.610
100 HG13 VAL 18 HG13 VAL 18 0.807 6.544 5.203
101 HG21 VAL 18 HG21 VAL 18 0.765 7.737 8.814
102 HG22 VAL 18 HG22 VAL 18 1.301 9.123 7.857
103 HG23 VAL 18 HG23 VAL 18 2.469 8.208 8.808
104 H GLN 19 H GLN 19 0.514 3.994 6.935
105 HA GLN 19 HA GLN 19 -0.484 3.694 9.698
106 HB2 GLN 19 HB3 GLN 19 -2.861 3.723 8.621
107 HB3 GLN 19 HB2 GLN 19 -2.037 5.247 8.880
108 HG2 GLN 19 HG3 GLN 19 -2.886 5.527 6.741
109 HG3 GLN 19 HG2 GLN 19 -1.247 5.017 6.419
110 HE21 GLN 19 HE21 GLN 19 -1.723 4.311 4.386
111 HE22 GLN 19 HE22 GLN 19 -2.683 2.907 4.065
112 H CYS 20 H CYS 20 0.749 2.157 7.081
113 HA CYS 20 HA CYS 20 -0.272 -0.471 7.938
114 HB2 CYS 20 HB3 CYS 20 0.076 0.362 5.030
115 HB3 CYS 20 HB2 CYS 20 -0.287 -1.260 5.582
116 H ALA 21 H ALA 21 1.147 -2.216 6.793
117 HA ALA 21 HA ALA 21 3.968 -1.643 7.392
118 HB1 ALA 21 HB1 ALA 21 4.149 -4.114 7.587
119 HB2 ALA 21 HB2 ALA 21 2.452 -4.276 7.124
120 HB3 ALA 21 HB3 ALA 21 2.881 -3.477 8.637
121 HA PRO 22 HA PRO 22 5.316 -2.160 3.071
122 HB2 PRO 22 HB3 PRO 22 7.479 -3.945 3.400
123 HB3 PRO 22 HB2 PRO 22 7.562 -2.183 3.573
124 HG2 PRO 22 HG3 PRO 22 7.309 -4.268 5.701
125 HG3 PRO 22 HG2 PRO 22 8.257 -2.762 5.698
126 HD2 PRO 22 HD3 PRO 22 5.935 -2.932 7.041
127 HD3 PRO 22 HD2 PRO 22 6.401 -1.437 6.214
128 H SER 23 H SER 23 4.474 -4.969 4.995
129 HA SER 23 HA SER 23 4.237 -6.920 2.989
130 HB2 SER 23 HB3 SER 23 2.488 -7.925 4.534
131 HB3 SER 23 HB2 SER 23 4.019 -7.541 5.326
132 HG SER 23 HG SER 23 2.785 -6.493 6.661
133 H ILE 24 H ILE 24 2.042 -4.316 4.001
134 HA ILE 24 HA ILE 24 -0.116 -5.023 2.231
135 HB ILE 24 HB ILE 24 0.468 -2.441 3.760
136 HG12 ILE 24 HG13 ILE 24 -0.039 -4.158 5.387
137 HG13 ILE 24 HG12 ILE 24 -1.483 -3.144 5.213
138 HG21 ILE 24 HG21 ILE 24 -0.922 -1.913 1.853
139 HG22 ILE 24 HG22 ILE 24 -1.876 -1.806 3.329
140 HG23 ILE 24 HG23 ILE 24 -2.051 -3.205 2.268
141 HD11 ILE 24 HD11 ILE 24 -2.510 -4.871 3.805
142 HD12 ILE 24 HD12 ILE 24 -2.074 -5.481 5.399
143 HD13 ILE 24 HD13 ILE 24 -1.079 -5.888 4.004
144 H CYS 25 H CYS 25 2.305 -2.416 2.347
145 HA CYS 25 HA CYS 25 1.449 -0.984 0.104
146 HB2 CYS 25 HB3 CYS 25 4.286 -0.973 1.150
147 HB3 CYS 25 HB2 CYS 25 3.394 0.355 0.420
148 H ALA 26 H ALA 26 3.671 -3.689 0.362
149 HA ALA 26 HA ALA 26 4.966 -3.527 -2.137
150 HB1 ALA 26 HB1 ALA 26 4.248 -6.015 -0.549
151 HB2 ALA 26 HB2 ALA 26 5.693 -5.026 -0.331
152 HB3 ALA 26 HB3 ALA 26 5.457 -5.917 -1.835
153 H GLY 27 H GLY 27 1.777 -4.755 -1.246
154 HA2 GLY 27 HA3 GLY 27 1.323 -6.221 -3.712
155 HA3 GLY 27 HA2 GLY 27 0.178 -5.964 -2.405
156 H TRP 28 H TRP 28 0.851 -2.978 -2.625
157 HA TRP 28 HA TRP 28 -1.199 -2.384 -4.653
158 HB2 TRP 28 HB3 TRP 28 -0.083 -0.671 -2.400
159 HB3 TRP 28 HB2 TRP 28 -1.400 -0.205 -3.472
160 HD1 TRP 28 HD1 TRP 28 -1.095 -1.199 -0.110
161 HE1 TRP 28 HE1 TRP 28 -3.157 -2.459 0.782
162 HE3 TRP 28 HE3 TRP 28 -3.252 -2.541 -4.564
163 HZ2 TRP 28 HZ2 TRP 28 -5.350 -3.873 -0.243
164 HZ3 TRP 28 HZ3 TRP 28 -5.321 -3.869 -4.514
165 HH2 TRP 28 HH2 TRP 28 -6.350 -4.521 -2.397
166 H CYS 29 H CYS 29 2.123 -1.574 -3.773
167 HA CYS 29 HA CYS 29 2.526 0.363 -5.859
168 HB2 CYS 29 HB3 CYS 29 4.304 -1.021 -3.868
169 HB3 CYS 29 HB2 CYS 29 5.030 -0.135 -5.207
170 H GLY 30 H GLY 30 4.107 -2.802 -5.324
171 HA2 GLY 30 HA3 GLY 30 3.895 -3.637 -8.038
172 HA3 GLY 30 HA2 GLY 30 5.480 -2.962 -7.702
173 H GLY 31 H GLY 31 6.407 -3.753 -5.553
174 HA2 GLY 31 HA3 GLY 31 5.749 -6.335 -4.530
175 HA3 GLY 31 HA2 GLY 31 7.112 -6.426 -5.651
176 H SER 32 H SER 32 7.692 -7.195 -3.208
177 HA SER 32 HA SER 32 8.832 -4.934 -1.702
178 HB2 SER 32 HB3 SER 32 9.251 -6.753 0.049
179 HB3 SER 32 HB2 SER 32 7.558 -6.417 -0.313
180 HG SER 32 HG SER 32 9.103 -8.558 -1.361
Start of MODEL 14
1 H1 SER 1 HT1 SER 1 -6.180 -4.632 8.192
2 H2 SER 1 HT2 SER 1 -4.842 -4.145 9.100
3 H3 SER 1 HT3 SER 1 -5.056 -5.777 8.723
4 HA SER 1 HA SER 1 -3.345 -4.767 7.352
5 HB2 SER 1 HB3 SER 1 -4.757 -6.653 6.482
6 HB3 SER 1 HB2 SER 1 -5.880 -5.481 5.797
7 HG SER 1 HG SER 1 -4.590 -5.878 4.127
8 H CYS 2 H CYS 2 -3.461 -3.551 4.984
9 HA CYS 2 HA CYS 2 -4.012 -0.786 5.534
10 HB2 CYS 2 HB3 CYS 2 -2.192 -1.861 3.967
11 HB3 CYS 2 HB2 CYS 2 -3.438 -1.861 2.758
12 H GLY 3 H GLY 3 -5.249 0.538 3.898
13 HA2 GLY 3 HA3 GLY 3 -7.955 -0.516 3.508
14 HA3 GLY 3 HA2 GLY 3 -7.405 1.150 3.326
15 H SER 4 H SER 4 -5.238 -0.805 1.688
16 HA SER 4 HA SER 4 -4.515 -0.654 -0.441
17 HB2 SER 4 HB3 SER 4 -7.436 -0.546 -1.292
18 HB3 SER 4 HB2 SER 4 -6.058 -1.009 -2.299
19 HG SER 4 HG SER 4 -7.314 -2.404 -0.209
20 H GLU 5 H GLU 5 -5.118 1.659 1.268
21 HA GLU 5 HA GLU 5 -6.532 3.692 -0.226
22 HB2 GLU 5 HB3 GLU 5 -6.484 3.342 2.342
23 HB3 GLU 5 HB2 GLU 5 -4.877 4.057 2.320
24 HG2 GLU 5 HG3 GLU 5 -6.393 5.774 2.959
25 HG3 GLU 5 HG2 GLU 5 -5.903 6.132 1.304
26 H CYS 6 H CYS 6 -3.269 3.252 0.973
27 HA CYS 6 HA CYS 6 -2.183 5.135 -1.006
28 HB2 CYS 6 HB3 CYS 6 -1.217 4.105 1.656
29 HB3 CYS 6 HB2 CYS 6 -0.175 4.946 0.531
30 H ALA 7 H ALA 7 -3.008 2.757 -1.990
31 HA ALA 7 HA ALA 7 -0.654 1.206 -2.692
32 HB1 ALA 7 HB1 ALA 7 -2.854 0.132 -2.461
33 HB2 ALA 7 HB2 ALA 7 -2.187 -0.081 -4.085
34 HB3 ALA 7 HB3 ALA 7 -3.464 1.107 -3.799
35 HA PRO 8 HA PRO 8 -2.104 3.423 -6.935
36 HB2 PRO 8 HB3 PRO 8 -1.873 6.336 -6.247
37 HB3 PRO 8 HB2 PRO 8 -3.168 5.473 -7.085
38 HG2 PRO 8 HG3 PRO 8 -3.523 6.382 -4.599
39 HG3 PRO 8 HG2 PRO 8 -4.206 4.809 -5.085
40 HD2 PRO 8 HD3 PRO 8 -1.638 5.352 -3.558
41 HD3 PRO 8 HD2 PRO 8 -2.956 4.201 -3.209
42 H GLU 9 H GLU 9 0.166 5.442 -5.050
43 HA GLU 9 HA GLU 9 1.578 6.356 -7.328
44 HB2 GLU 9 HB3 GLU 9 2.132 6.577 -4.334
45 HB3 GLU 9 HB2 GLU 9 3.036 7.434 -5.568
46 HG2 GLU 9 HG3 GLU 9 0.074 7.771 -5.000
47 HG3 GLU 9 HG2 GLU 9 1.347 8.870 -4.474
48 HA PRO 10 HA PRO 10 5.170 3.434 -7.265
49 HB2 PRO 10 HB3 PRO 10 7.187 5.251 -7.887
50 HB3 PRO 10 HB2 PRO 10 6.119 4.517 -9.101
51 HG2 PRO 10 HG3 PRO 10 5.902 7.210 -7.786
52 HG3 PRO 10 HG2 PRO 10 5.696 6.778 -9.498
53 HD2 PRO 10 HD3 PRO 10 3.573 7.183 -7.918
54 HD3 PRO 10 HD2 PRO 10 3.552 5.912 -9.166
55 H ASP 11 H ASP 11 5.151 6.555 -5.670
56 HA ASP 11 HA ASP 11 6.898 5.697 -3.472
57 HB2 ASP 11 HB3 ASP 11 6.731 8.116 -2.778
58 HB3 ASP 11 HB2 ASP 11 7.406 7.888 -4.385
59 H CYS 12 H CYS 12 4.250 4.558 -3.902
60 HA CYS 12 HA CYS 12 2.210 5.208 -2.169
61 HB2 CYS 12 HB3 CYS 12 2.160 2.548 -1.965
62 HB3 CYS 12 HB2 CYS 12 1.761 3.350 -3.481
63 H TRP 13 H TRP 13 5.365 3.756 -1.402
64 HA TRP 13 HA TRP 13 5.110 2.841 1.164
65 HB2 TRP 13 HB3 TRP 13 7.473 4.381 0.038
66 HB3 TRP 13 HB2 TRP 13 7.498 3.312 1.368
67 HD1 TRP 13 HD1 TRP 13 7.576 3.311 -2.378
68 HE1 TRP 13 HE1 TRP 13 8.157 0.934 -3.204
69 HE3 TRP 13 HE3 TRP 13 7.147 0.893 2.021
70 HZ2 TRP 13 HZ2 TRP 13 8.399 -1.654 -2.081
71 HZ3 TRP 13 HZ3 TRP 13 7.558 -1.554 2.113
72 HH2 TRP 13 HH2 TRP 13 8.171 -2.797 0.089
73 H GLY 14 H GLY 14 5.486 6.122 0.027
74 HA2 GLY 14 HA3 GLY 14 5.881 7.301 2.709
75 HA3 GLY 14 HA2 GLY 14 6.004 8.142 1.164
76 H CYS 15 H CYS 15 3.520 6.174 2.654
77 HA CYS 15 HA CYS 15 1.439 8.100 2.832
78 HB2 CYS 15 HB3 CYS 15 1.834 7.600 0.287
79 HB3 CYS 15 HB2 CYS 15 1.113 6.057 0.597
80 H CYS 16 H CYS 16 2.383 4.771 2.231
81 HA CYS 16 HA CYS 16 0.011 3.535 3.307
82 HB2 CYS 16 HB3 CYS 16 1.099 2.660 1.351
83 HB3 CYS 16 HB2 CYS 16 2.620 2.490 2.187
84 H LEU 17 H LEU 17 3.459 3.754 4.288
85 HA LEU 17 HA LEU 17 3.053 1.989 6.537
86 HB2 LEU 17 HB3 LEU 17 5.436 3.660 5.711
87 HB3 LEU 17 HB2 LEU 17 5.426 2.641 7.141
88 HG LEU 17 HG LEU 17 4.690 0.755 5.413
89 HD11 LEU 17 HD11 LEU 17 4.508 2.198 3.465
90 HD12 LEU 17 HD12 LEU 17 5.738 0.959 3.233
91 HD13 LEU 17 HD13 LEU 17 6.218 2.622 3.593
92 HD21 LEU 17 HD21 LEU 17 7.039 0.125 5.115
93 HD22 LEU 17 HD22 LEU 17 6.646 0.598 6.768
94 HD23 LEU 17 HD23 LEU 17 7.534 1.714 5.718
95 H VAL 18 H VAL 18 1.776 4.924 6.430
96 HA VAL 18 HA VAL 18 2.357 5.579 9.267
97 HB VAL 18 HB VAL 18 2.246 7.503 7.706
98 HG11 VAL 18 HG11 VAL 18 0.155 8.196 6.628
99 HG12 VAL 18 HG12 VAL 18 -0.655 6.744 7.225
100 HG13 VAL 18 HG13 VAL 18 0.666 6.606 6.065
101 HG21 VAL 18 HG21 VAL 18 -0.087 7.517 9.664
102 HG22 VAL 18 HG22 VAL 18 0.702 8.946 8.981
103 HG23 VAL 18 HG23 VAL 18 1.600 7.875 10.057
104 H GLN 19 H GLN 19 0.358 3.604 7.463
105 HA GLN 19 HA GLN 19 -1.707 3.341 9.519
106 HB2 GLN 19 HB3 GLN 19 -3.488 3.621 7.765
107 HB3 GLN 19 HB2 GLN 19 -2.583 5.084 8.068
108 HG2 GLN 19 HG3 GLN 19 -1.219 4.583 6.059
109 HG3 GLN 19 HG2 GLN 19 -2.253 3.213 5.711
110 HE21 GLN 19 HE21 GLN 19 -1.673 5.650 4.188
111 HE22 GLN 19 HE22 GLN 19 -3.208 6.366 3.845
112 H CYS 20 H CYS 20 0.439 1.867 7.390
113 HA CYS 20 HA CYS 20 -0.866 -0.739 7.621
114 HB2 CYS 20 HB3 CYS 20 0.316 -0.180 4.904
115 HB3 CYS 20 HB2 CYS 20 -1.018 -1.174 5.349
116 H ALA 21 H ALA 21 0.690 -2.508 7.275
117 HA ALA 21 HA ALA 21 3.295 -1.912 8.342
118 HB1 ALA 21 HB1 ALA 21 2.041 -3.909 9.079
119 HB2 ALA 21 HB2 ALA 21 3.591 -4.367 8.371
120 HB3 ALA 21 HB3 ALA 21 2.105 -4.565 7.440
121 HA PRO 22 HA PRO 22 5.799 -1.811 4.500
122 HB2 PRO 22 HB3 PRO 22 7.923 -3.469 5.417
123 HB3 PRO 22 HB2 PRO 22 7.818 -1.711 5.621
124 HG2 PRO 22 HG3 PRO 22 7.074 -3.874 7.557
125 HG3 PRO 22 HG2 PRO 22 7.885 -2.318 7.852
126 HD2 PRO 22 HD3 PRO 22 5.314 -2.583 8.456
127 HD3 PRO 22 HD2 PRO 22 5.878 -1.092 7.696
128 H SER 23 H SER 23 5.062 -4.910 6.072
129 HA SER 23 HA SER 23 5.627 -6.628 3.908
130 HB2 SER 23 HB3 SER 23 3.494 -6.974 6.059
131 HB3 SER 23 HB2 SER 23 4.237 -8.260 5.097
132 HG SER 23 HG SER 23 5.084 -7.774 7.326
133 H ILE 24 H ILE 24 2.803 -4.658 4.727
134 HA ILE 24 HA ILE 24 1.024 -5.814 2.745
135 HB ILE 24 HB ILE 24 0.616 -3.133 4.157
136 HG12 ILE 24 HG13 ILE 24 1.182 -4.791 5.908
137 HG13 ILE 24 HG12 ILE 24 -0.486 -4.240 6.010
138 HG21 ILE 24 HG21 ILE 24 -0.982 -3.659 2.386
139 HG22 ILE 24 HG22 ILE 24 -1.774 -3.699 3.960
140 HG23 ILE 24 HG23 ILE 24 -1.356 -5.210 3.144
141 HD11 ILE 24 HD11 ILE 24 0.446 -6.911 4.916
142 HD12 ILE 24 HD12 ILE 24 -1.232 -6.373 5.008
143 HD13 ILE 24 HD13 ILE 24 -0.304 -6.624 6.486
144 H CYS 25 H CYS 25 2.785 -2.774 3.218
145 HA CYS 25 HA CYS 25 2.026 -1.393 0.897
146 HB2 CYS 25 HB3 CYS 25 4.623 -1.104 2.451
147 HB3 CYS 25 HB2 CYS 25 3.873 0.119 1.439
148 H ALA 26 H ALA 26 4.735 -3.600 1.536
149 HA ALA 26 HA ALA 26 6.072 -3.415 -0.939
150 HB1 ALA 26 HB1 ALA 26 7.035 -4.545 1.019
151 HB2 ALA 26 HB2 ALA 26 7.042 -5.606 -0.391
152 HB3 ALA 26 HB3 ALA 26 5.837 -5.833 0.881
153 H GLY 27 H GLY 27 3.125 -5.064 -0.035
154 HA2 GLY 27 HA3 GLY 27 2.943 -6.849 -2.292
155 HA3 GLY 27 HA2 GLY 27 1.667 -6.459 -1.148
156 H TRP 28 H TRP 28 1.639 -3.662 -1.474
157 HA TRP 28 HA TRP 28 0.005 -3.399 -3.834
158 HB2 TRP 28 HB3 TRP 28 0.919 -1.254 -1.860
159 HB3 TRP 28 HB2 TRP 28 -0.362 -1.072 -3.058
160 HD1 TRP 28 HD1 TRP 28 -0.027 -1.665 0.489
161 HE1 TRP 28 HE1 TRP 28 -2.109 -2.797 1.473
162 HE3 TRP 28 HE3 TRP 28 -2.233 -3.316 -3.844
163 HZ2 TRP 28 HZ2 TRP 28 -4.347 -4.228 0.579
164 HZ3 TRP 28 HZ3 TRP 28 -4.339 -4.585 -3.677
165 HH2 TRP 28 HH2 TRP 28 -5.376 -5.033 -1.509
166 H CYS 29 H CYS 29 3.097 -1.995 -2.753
167 HA CYS 29 HA CYS 29 3.530 -0.378 -5.058
168 HB2 CYS 29 HB3 CYS 29 5.488 -1.314 -2.919
169 HB3 CYS 29 HB2 CYS 29 5.801 -0.037 -4.093
170 H GLY 30 H GLY 30 5.240 -3.368 -3.960
171 HA2 GLY 30 HA3 GLY 30 6.411 -3.606 -6.682
172 HA3 GLY 30 HA2 GLY 30 7.209 -4.100 -5.202
173 H GLY 31 H GLY 31 4.213 -5.150 -4.622
174 HA2 GLY 31 HA3 GLY 31 4.949 -7.897 -5.050
175 HA3 GLY 31 HA2 GLY 31 3.458 -7.314 -4.328
176 H SER 32 H SER 32 2.529 -5.723 -6.443
177 HA SER 32 HA SER 32 2.335 -7.387 -8.839
178 HB2 SER 32 HB3 SER 32 -0.243 -7.160 -8.714
179 HB3 SER 32 HB2 SER 32 0.508 -8.336 -7.637
180 HG SER 32 HG SER 32 -0.052 -5.691 -6.777
Start of MODEL 15
1 H1 SER 1 HT1 SER 1 -4.985 -8.027 5.727
2 H2 SER 1 HT2 SER 1 -6.299 -7.130 5.155
3 H3 SER 1 HT3 SER 1 -5.697 -6.849 6.707
4 HA SER 1 HA SER 1 -3.622 -6.046 5.820
5 HB2 SER 1 HB3 SER 1 -3.601 -7.435 3.757
6 HB3 SER 1 HB2 SER 1 -4.960 -6.518 3.108
7 HG SER 1 HG SER 1 -2.477 -6.001 2.694
8 H CYS 2 H CYS 2 -3.497 -3.824 4.488
9 HA CYS 2 HA CYS 2 -5.456 -2.066 5.655
10 HB2 CYS 2 HB3 CYS 2 -3.193 -1.395 3.734
11 HB3 CYS 2 HB2 CYS 2 -4.068 -0.270 4.763
12 H GLY 3 H GLY 3 -5.855 -0.077 3.824
13 HA2 GLY 3 HA3 GLY 3 -8.264 -1.191 2.690
14 HA3 GLY 3 HA2 GLY 3 -7.813 0.500 2.774
15 H SER 4 H SER 4 -5.192 -0.709 1.372
16 HA SER 4 HA SER 4 -4.292 -0.819 -0.667
17 HB2 SER 4 HB3 SER 4 -7.076 -1.302 -1.815
18 HB3 SER 4 HB2 SER 4 -5.529 -1.677 -2.588
19 HG SER 4 HG SER 4 -6.482 -2.822 -0.163
20 H GLU 5 H GLU 5 -5.984 1.588 0.485
21 HA GLU 5 HA GLU 5 -6.611 3.255 -1.776
22 HB2 GLU 5 HB3 GLU 5 -7.861 3.464 0.344
23 HB3 GLU 5 HB2 GLU 5 -6.380 3.864 1.203
24 HG2 GLU 5 HG3 GLU 5 -6.195 5.961 -0.149
25 HG3 GLU 5 HG2 GLU 5 -7.735 5.572 -0.914
26 H CYS 6 H CYS 6 -3.955 2.857 0.486
27 HA CYS 6 HA CYS 6 -2.320 4.956 -0.698
28 HB2 CYS 6 HB3 CYS 6 -2.018 3.070 1.647
29 HB3 CYS 6 HB2 CYS 6 -0.702 4.060 1.067
30 H ALA 7 H ALA 7 -3.075 2.865 -2.458
31 HA ALA 7 HA ALA 7 -0.394 1.872 -3.235
32 HB1 ALA 7 HB1 ALA 7 -1.898 0.074 -2.511
33 HB2 ALA 7 HB2 ALA 7 -1.499 -0.065 -4.223
34 HB3 ALA 7 HB3 ALA 7 -3.073 0.563 -3.731
35 HA PRO 8 HA PRO 8 -2.432 4.115 -7.121
36 HB2 PRO 8 HB3 PRO 8 -1.304 6.758 -6.309
37 HB3 PRO 8 HB2 PRO 8 -2.916 6.375 -6.909
38 HG2 PRO 8 HG3 PRO 8 -2.434 7.109 -4.353
39 HG3 PRO 8 HG2 PRO 8 -3.771 6.022 -4.804
40 HD2 PRO 8 HD3 PRO 8 -1.106 5.325 -3.594
41 HD3 PRO 8 HD2 PRO 8 -2.710 4.637 -3.294
42 H GLU 9 H GLU 9 0.344 5.278 -5.278
43 HA GLU 9 HA GLU 9 1.853 5.928 -7.630
44 HB2 GLU 9 HB3 GLU 9 2.541 6.183 -4.662
45 HB3 GLU 9 HB2 GLU 9 3.350 6.986 -5.994
46 HG2 GLU 9 HG3 GLU 9 1.234 8.248 -6.466
47 HG3 GLU 9 HG2 GLU 9 0.509 7.472 -5.065
48 HA PRO 10 HA PRO 10 5.009 2.549 -7.004
49 HB2 PRO 10 HB3 PRO 10 7.300 3.940 -7.654
50 HB3 PRO 10 HB2 PRO 10 6.161 3.373 -8.895
51 HG2 PRO 10 HG3 PRO 10 6.328 6.108 -7.614
52 HG3 PRO 10 HG2 PRO 10 6.258 5.684 -9.353
53 HD2 PRO 10 HD3 PRO 10 4.047 6.441 -8.070
54 HD3 PRO 10 HD2 PRO 10 3.975 5.123 -9.266
55 H ASP 11 H ASP 11 5.013 5.728 -5.659
56 HA ASP 11 HA ASP 11 6.859 5.196 -3.460
57 HB2 ASP 11 HB3 ASP 11 5.295 7.752 -4.078
58 HB3 ASP 11 HB2 ASP 11 6.720 7.591 -3.069
59 H CYS 12 H CYS 12 4.633 3.550 -3.299
60 HA CYS 12 HA CYS 12 2.352 4.626 -1.985
61 HB2 CYS 12 HB3 CYS 12 1.675 2.399 -1.641
62 HB3 CYS 12 HB2 CYS 12 2.531 2.357 -3.169
63 H TRP 13 H TRP 13 5.483 3.568 -0.841
64 HA TRP 13 HA TRP 13 5.252 3.117 1.837
65 HB2 TRP 13 HB3 TRP 13 7.354 4.854 0.498
66 HB3 TRP 13 HB2 TRP 13 7.523 4.015 1.980
67 HD1 TRP 13 HD1 TRP 13 8.223 3.660 -1.605
68 HE1 TRP 13 HE1 TRP 13 9.062 1.280 -2.136
69 HE3 TRP 13 HE3 TRP 13 7.044 1.457 2.771
70 HZ2 TRP 13 HZ2 TRP 13 9.199 -1.239 -0.819
71 HZ3 TRP 13 HZ3 TRP 13 7.543 -0.947 3.113
72 HH2 TRP 13 HH2 TRP 13 8.605 -2.271 1.342
73 H GLY 14 H GLY 14 5.012 6.110 0.067
74 HA2 GLY 14 HA3 GLY 14 5.086 7.875 2.422
75 HA3 GLY 14 HA2 GLY 14 5.037 8.370 0.733
76 H CYS 15 H CYS 15 2.918 6.103 2.354
77 HA CYS 15 HA CYS 15 0.713 7.877 2.785
78 HB2 CYS 15 HB3 CYS 15 0.655 7.201 0.295
79 HB3 CYS 15 HB2 CYS 15 0.319 5.581 0.823
80 H CYS 16 H CYS 16 1.790 4.593 2.269
81 HA CYS 16 HA CYS 16 -0.137 3.320 3.959
82 HB2 CYS 16 HB3 CYS 16 0.536 2.220 1.980
83 HB3 CYS 16 HB2 CYS 16 2.231 2.435 2.311
84 H LEU 17 H LEU 17 3.364 4.017 4.198
85 HA LEU 17 HA LEU 17 3.859 2.457 6.497
86 HB2 LEU 17 HB3 LEU 17 5.379 4.808 5.364
87 HB3 LEU 17 HB2 LEU 17 5.923 3.972 6.810
88 HG LEU 17 HG LEU 17 5.690 2.786 4.018
89 HD11 LEU 17 HD11 LEU 17 8.109 3.319 5.768
90 HD12 LEU 17 HD12 LEU 17 7.642 4.236 4.332
91 HD13 LEU 17 HD13 LEU 17 8.130 2.550 4.177
92 HD21 LEU 17 HD21 LEU 17 6.516 1.388 6.594
93 HD22 LEU 17 HD22 LEU 17 6.633 0.712 4.968
94 HD23 LEU 17 HD23 LEU 17 5.052 1.066 5.658
95 H VAL 18 H VAL 18 2.208 5.508 6.404
96 HA VAL 18 HA VAL 18 3.031 6.329 9.080
97 HB VAL 18 HB VAL 18 2.489 8.062 7.384
98 HG11 VAL 18 HG11 VAL 18 0.174 8.538 6.703
99 HG12 VAL 18 HG12 VAL 18 -0.386 7.102 7.566
100 HG13 VAL 18 HG13 VAL 18 0.686 6.936 6.178
101 HG21 VAL 18 HG21 VAL 18 0.601 8.154 9.769
102 HG22 VAL 18 HG22 VAL 18 1.122 9.544 8.809
103 HG23 VAL 18 HG23 VAL 18 2.299 8.648 9.769
104 H GLN 19 H GLN 19 0.733 4.206 7.755
105 HA GLN 19 HA GLN 19 -0.832 3.994 10.246
106 HB2 GLN 19 HB3 GLN 19 -2.930 4.074 8.864
107 HB3 GLN 19 HB2 GLN 19 -2.055 5.586 8.880
108 HG2 GLN 19 HG3 GLN 19 -1.053 4.900 6.674
109 HG3 GLN 19 HG2 GLN 19 -2.185 3.560 6.635
110 HE21 GLN 19 HE21 GLN 19 -1.801 5.960 4.934
111 HE22 GLN 19 HE22 GLN 19 -3.367 6.695 4.824
112 H CYS 20 H CYS 20 1.058 2.413 8.166
113 HA CYS 20 HA CYS 20 -0.022 -0.197 8.864
114 HB2 CYS 20 HB3 CYS 20 0.621 0.507 5.961
115 HB3 CYS 20 HB2 CYS 20 0.210 -1.081 6.558
116 H ALA 21 H ALA 21 1.611 -1.907 8.062
117 HA ALA 21 HA ALA 21 4.324 -1.089 8.808
118 HB1 ALA 21 HB1 ALA 21 3.077 -3.856 8.470
119 HB2 ALA 21 HB2 ALA 21 3.311 -3.003 9.998
120 HB3 ALA 21 HB3 ALA 21 4.708 -3.530 9.060
121 HA PRO 22 HA PRO 22 6.036 -1.552 4.591
122 HB2 PRO 22 HB3 PRO 22 8.339 -3.085 5.161
123 HB3 PRO 22 HB2 PRO 22 8.231 -1.319 5.275
124 HG2 PRO 22 HG3 PRO 22 7.972 -3.358 7.459
125 HG3 PRO 22 HG2 PRO 22 8.810 -1.787 7.471
126 HD2 PRO 22 HD3 PRO 22 6.417 -2.047 8.631
127 HD3 PRO 22 HD2 PRO 22 6.811 -0.578 7.729
128 H SER 23 H SER 23 5.458 -4.363 6.625
129 HA SER 23 HA SER 23 5.603 -6.410 4.694
130 HB2 SER 23 HB3 SER 23 3.844 -6.251 7.173
131 HB3 SER 23 HB2 SER 23 4.236 -7.726 6.281
132 HG SER 23 HG SER 23 6.109 -7.783 7.230
133 H ILE 24 H ILE 24 3.160 -3.965 5.264
134 HA ILE 24 HA ILE 24 1.215 -5.198 3.447
135 HB ILE 24 HB ILE 24 1.160 -2.437 4.774
136 HG12 ILE 24 HG13 ILE 24 1.139 -4.142 6.559
137 HG13 ILE 24 HG12 ILE 24 -0.455 -3.392 6.428
138 HG21 ILE 24 HG21 ILE 24 -1.073 -4.011 3.457
139 HG22 ILE 24 HG22 ILE 24 -0.290 -2.568 2.816
140 HG23 ILE 24 HG23 ILE 24 -1.258 -2.462 4.283
141 HD11 ILE 24 HD11 ILE 24 0.318 -6.116 5.354
142 HD12 ILE 24 HD12 ILE 24 -1.274 -5.364 5.217
143 HD13 ILE 24 HD13 ILE 24 -0.632 -5.785 6.802
144 H CYS 25 H CYS 25 3.258 -2.288 3.672
145 HA CYS 25 HA CYS 25 2.391 -1.031 1.312
146 HB2 CYS 25 HB3 CYS 25 5.052 -0.518 2.669
147 HB3 CYS 25 HB2 CYS 25 4.060 0.620 1.766
148 H ALA 26 H ALA 26 4.952 -3.375 1.835
149 HA ALA 26 HA ALA 26 6.577 -2.902 -0.418
150 HB1 ALA 26 HB1 ALA 26 6.095 -5.552 0.993
151 HB2 ALA 26 HB2 ALA 26 7.279 -4.331 1.467
152 HB3 ALA 26 HB3 ALA 26 7.448 -5.173 -0.074
153 H GLY 27 H GLY 27 3.516 -4.582 -0.072
154 HA2 GLY 27 HA3 GLY 27 3.699 -5.896 -2.705
155 HA3 GLY 27 HA2 GLY 27 2.445 -6.118 -1.495
156 H TRP 28 H TRP 28 2.821 -2.892 -1.604
157 HA TRP 28 HA TRP 28 0.742 -2.475 -3.663
158 HB2 TRP 28 HB3 TRP 28 1.538 -0.765 -1.271
159 HB3 TRP 28 HB2 TRP 28 0.293 -0.329 -2.435
160 HD1 TRP 28 HD1 TRP 28 0.243 -1.272 0.891
161 HE1 TRP 28 HE1 TRP 28 -1.786 -2.709 1.560
162 HE3 TRP 28 HE3 TRP 28 -1.166 -2.960 -3.749
163 HZ2 TRP 28 HZ2 TRP 28 -3.656 -4.397 0.326
164 HZ3 TRP 28 HZ3 TRP 28 -3.071 -4.508 -3.908
165 HH2 TRP 28 HH2 TRP 28 -4.293 -5.212 -1.908
166 H CYS 29 H CYS 29 3.911 -1.408 -2.533
167 HA CYS 29 HA CYS 29 4.302 0.585 -4.566
168 HB2 CYS 29 HB3 CYS 29 6.081 -0.670 -2.485
169 HB3 CYS 29 HB2 CYS 29 6.784 0.342 -3.748
170 H GLY 30 H GLY 30 6.258 -2.372 -3.963
171 HA2 GLY 30 HA3 GLY 30 6.451 -2.881 -6.838
172 HA3 GLY 30 HA2 GLY 30 7.911 -2.360 -6.015
173 H GLY 31 H GLY 31 5.275 -4.575 -5.117
174 HA2 GLY 31 HA3 GLY 31 7.042 -6.634 -4.157
175 HA3 GLY 31 HA2 GLY 31 5.303 -6.765 -4.389
176 H SER 32 H SER 32 4.880 -6.338 -6.953
177 HA SER 32 HA SER 32 6.656 -7.418 -8.853
178 HB2 SER 32 HB3 SER 32 5.243 -9.518 -9.375
179 HB3 SER 32 HB2 SER 32 6.253 -9.600 -7.935
180 HG SER 32 HG SER 32 3.638 -8.680 -7.609
Start of MODEL 16
1 H1 SER 1 HT1 SER 1 -5.262 -6.017 6.834
2 H2 SER 1 HT2 SER 1 -4.347 -5.321 5.597
3 H3 SER 1 HT3 SER 1 -6.023 -5.147 5.601
4 HA SER 1 HA SER 1 -5.948 -3.847 7.588
5 HB2 SER 1 HB3 SER 1 -2.923 -4.159 7.364
6 HB3 SER 1 HB2 SER 1 -3.756 -3.135 8.531
7 HG SER 1 HG SER 1 -4.846 -5.254 9.106
8 H CYS 2 H CYS 2 -5.661 -1.545 7.491
9 HA CYS 2 HA CYS 2 -5.706 0.466 6.525
10 HB2 CYS 2 HB3 CYS 2 -3.834 -0.551 4.355
11 HB3 CYS 2 HB2 CYS 2 -4.080 1.108 4.853
12 H GLY 3 H GLY 3 -6.379 1.595 4.338
13 HA2 GLY 3 HA3 GLY 3 -8.870 0.169 3.653
14 HA3 GLY 3 HA2 GLY 3 -8.567 1.894 3.555
15 H SER 4 H SER 4 -6.014 0.220 2.136
16 HA SER 4 HA SER 4 -5.098 0.444 0.118
17 HB2 SER 4 HB3 SER 4 -6.330 -0.489 -1.829
18 HB3 SER 4 HB2 SER 4 -6.465 -1.517 -0.407
19 HG SER 4 HG SER 4 -8.546 -0.814 -0.117
20 H GLU 5 H GLU 5 -6.494 2.740 1.301
21 HA GLU 5 HA GLU 5 -7.533 4.389 -0.839
22 HB2 GLU 5 HB3 GLU 5 -8.397 4.574 1.497
23 HB3 GLU 5 HB2 GLU 5 -6.804 5.058 2.054
24 HG2 GLU 5 HG3 GLU 5 -8.193 7.014 1.921
25 HG3 GLU 5 HG2 GLU 5 -6.977 7.118 0.649
26 H CYS 6 H CYS 6 -4.603 4.044 1.095
27 HA CYS 6 HA CYS 6 -3.078 5.895 -0.577
28 HB2 CYS 6 HB3 CYS 6 -2.507 4.395 1.982
29 HB3 CYS 6 HB2 CYS 6 -1.236 5.147 1.050
30 H ALA 7 H ALA 7 -4.117 3.684 -1.922
31 HA ALA 7 HA ALA 7 -1.603 2.450 -2.890
32 HB1 ALA 7 HB1 ALA 7 -3.326 0.861 -2.134
33 HB2 ALA 7 HB2 ALA 7 -2.986 0.691 -3.857
34 HB3 ALA 7 HB3 ALA 7 -4.450 1.520 -3.321
35 HA PRO 8 HA PRO 8 -4.109 4.773 -6.606
36 HB2 PRO 8 HB3 PRO 8 -2.919 7.452 -5.939
37 HB3 PRO 8 HB2 PRO 8 -4.567 7.049 -6.434
38 HG2 PRO 8 HG3 PRO 8 -4.032 7.782 -3.926
39 HG3 PRO 8 HG2 PRO 8 -5.232 6.511 -4.266
40 HD2 PRO 8 HD3 PRO 8 -2.364 6.179 -3.379
41 HD3 PRO 8 HD2 PRO 8 -3.830 5.370 -2.804
42 H GLU 9 H GLU 9 -1.094 5.953 -5.257
43 HA GLU 9 HA GLU 9 0.048 6.732 -7.715
44 HB2 GLU 9 HB3 GLU 9 1.229 6.443 -4.923
45 HB3 GLU 9 HB2 GLU 9 2.001 7.263 -6.265
46 HG2 GLU 9 HG3 GLU 9 -0.572 8.098 -4.912
47 HG3 GLU 9 HG2 GLU 9 1.005 8.857 -4.699
48 HA PRO 10 HA PRO 10 2.697 3.056 -8.558
49 HB2 PRO 10 HB3 PRO 10 4.950 4.465 -9.464
50 HB3 PRO 10 HB2 PRO 10 3.568 4.023 -10.487
51 HG2 PRO 10 HG3 PRO 10 4.136 6.633 -9.115
52 HG3 PRO 10 HG2 PRO 10 3.522 6.329 -10.759
53 HD2 PRO 10 HD3 PRO 10 1.849 7.060 -8.809
54 HD3 PRO 10 HD2 PRO 10 1.359 5.850 -10.016
55 H ASP 11 H ASP 11 3.936 5.968 -6.912
56 HA ASP 11 HA ASP 11 5.370 4.335 -4.916
57 HB2 ASP 11 HB3 ASP 11 6.663 6.211 -5.865
58 HB3 ASP 11 HB2 ASP 11 5.402 7.356 -5.409
59 H CYS 12 H CYS 12 3.249 3.555 -4.236
60 HA CYS 12 HA CYS 12 1.345 5.161 -2.824
61 HB2 CYS 12 HB3 CYS 12 0.479 3.069 -2.026
62 HB3 CYS 12 HB2 CYS 12 0.939 2.816 -3.692
63 H TRP 13 H TRP 13 4.461 3.892 -2.026
64 HA TRP 13 HA TRP 13 4.617 3.629 0.677
65 HB2 TRP 13 HB3 TRP 13 6.629 5.051 -1.103
66 HB3 TRP 13 HB2 TRP 13 6.957 4.295 0.397
67 HD1 TRP 13 HD1 TRP 13 6.788 3.587 -3.237
68 HE1 TRP 13 HE1 TRP 13 7.350 1.113 -3.695
69 HE3 TRP 13 HE3 TRP 13 6.660 1.909 1.512
70 HZ2 TRP 13 HZ2 TRP 13 7.702 -1.266 -2.186
71 HZ3 TRP 13 HZ3 TRP 13 7.112 -0.489 1.973
72 HH2 TRP 13 HH2 TRP 13 7.626 -2.041 0.154
73 H GLY 14 H GLY 14 4.396 6.546 -1.241
74 HA2 GLY 14 HA3 GLY 14 5.008 8.394 0.966
75 HA3 GLY 14 HA2 GLY 14 4.705 8.816 -0.712
76 H CYS 15 H CYS 15 2.671 6.859 1.359
77 HA CYS 15 HA CYS 15 0.731 8.888 1.982
78 HB2 CYS 15 HB3 CYS 15 0.244 8.043 -0.418
79 HB3 CYS 15 HB2 CYS 15 -0.167 6.513 0.297
80 H CYS 16 H CYS 16 1.499 5.513 1.630
81 HA CYS 16 HA CYS 16 -0.308 4.476 3.603
82 HB2 CYS 16 HB3 CYS 16 0.037 3.244 1.629
83 HB3 CYS 16 HB2 CYS 16 1.765 3.373 1.720
84 H LEU 17 H LEU 17 3.192 5.009 3.405
85 HA LEU 17 HA LEU 17 3.903 3.444 5.647
86 HB2 LEU 17 HB3 LEU 17 5.404 5.620 4.190
87 HB3 LEU 17 HB2 LEU 17 6.105 4.793 5.572
88 HG LEU 17 HG LEU 17 5.289 3.505 2.939
89 HD11 LEU 17 HD11 LEU 17 7.369 4.789 2.782
90 HD12 LEU 17 HD12 LEU 17 7.679 3.059 2.654
91 HD13 LEU 17 HD13 LEU 17 8.032 3.907 4.162
92 HD21 LEU 17 HD21 LEU 17 6.485 2.189 5.407
93 HD22 LEU 17 HD22 LEU 17 6.224 1.419 3.840
94 HD23 LEU 17 HD23 LEU 17 4.846 1.956 4.791
95 H VAL 18 H VAL 18 2.358 6.503 5.757
96 HA VAL 18 HA VAL 18 3.589 7.344 8.272
97 HB VAL 18 HB VAL 18 2.760 9.073 6.697
98 HG11 VAL 18 HG11 VAL 18 0.368 9.499 6.341
99 HG12 VAL 18 HG12 VAL 18 -0.046 8.073 7.296
100 HG13 VAL 18 HG13 VAL 18 0.811 7.890 5.766
101 HG21 VAL 18 HG21 VAL 18 1.242 9.116 9.338
102 HG22 VAL 18 HG22 VAL 18 1.580 10.521 8.320
103 HG23 VAL 18 HG23 VAL 18 2.908 9.654 9.091
104 H GLN 19 H GLN 19 1.013 5.300 7.291
105 HA GLN 19 HA GLN 19 -0.170 5.144 10.006
106 HB2 GLN 19 HB3 GLN 19 -2.421 5.108 8.862
107 HB3 GLN 19 HB2 GLN 19 -1.585 6.637 8.728
108 HG2 GLN 19 HG3 GLN 19 -0.804 5.859 6.454
109 HG3 GLN 19 HG2 GLN 19 -1.929 4.522 6.588
110 HE21 GLN 19 HE21 GLN 19 -1.713 6.870 4.764
111 HE22 GLN 19 HE22 GLN 19 -3.286 7.602 4.787
112 H CYS 20 H CYS 20 1.362 3.478 7.616
113 HA CYS 20 HA CYS 20 0.330 0.878 8.506
114 HB2 CYS 20 HB3 CYS 20 0.710 1.523 5.558
115 HB3 CYS 20 HB2 CYS 20 0.145 0.029 6.231
116 H ALA 21 H ALA 21 1.797 -0.879 7.791
117 HA ALA 21 HA ALA 21 4.593 -0.160 8.159
118 HB1 ALA 21 HB1 ALA 21 3.271 -2.890 7.870
119 HB2 ALA 21 HB2 ALA 21 3.624 -2.068 9.391
120 HB3 ALA 21 HB3 ALA 21 4.945 -2.597 8.350
121 HA PRO 22 HA PRO 22 6.050 -0.598 3.819
122 HB2 PRO 22 HB3 PRO 22 8.116 -2.431 5.074
123 HB3 PRO 22 HB2 PRO 22 8.345 -1.105 3.910
124 HG2 PRO 22 HG3 PRO 22 8.946 -0.741 6.463
125 HG3 PRO 22 HG2 PRO 22 8.140 0.550 5.536
126 HD2 PRO 22 HD3 PRO 22 6.972 -1.304 7.578
127 HD3 PRO 22 HD2 PRO 22 6.587 0.389 7.257
128 H SER 23 H SER 23 5.421 -3.423 5.849
129 HA SER 23 HA SER 23 5.305 -5.386 3.825
130 HB2 SER 23 HB3 SER 23 5.333 -5.902 6.272
131 HB3 SER 23 HB2 SER 23 3.691 -5.272 6.408
132 HG SER 23 HG SER 23 4.456 -7.428 4.711
133 H ILE 24 H ILE 24 2.809 -3.162 5.116
134 HA ILE 24 HA ILE 24 0.630 -4.149 3.555
135 HB ILE 24 HB ILE 24 0.993 -1.402 4.864
136 HG12 ILE 24 HG13 ILE 24 1.009 -3.097 6.615
137 HG13 ILE 24 HG12 ILE 24 -0.563 -2.275 6.641
138 HG21 ILE 24 HG21 ILE 24 -1.543 -2.674 3.779
139 HG22 ILE 24 HG22 ILE 24 -0.706 -1.264 3.132
140 HG23 ILE 24 HG23 ILE 24 -1.474 -1.177 4.714
141 HD11 ILE 24 HD11 ILE 24 0.005 -5.010 5.462
142 HD12 ILE 24 HD12 ILE 24 -1.561 -4.193 5.468
143 HD13 ILE 24 HD13 ILE 24 -0.808 -4.668 6.988
144 H CYS 25 H CYS 25 2.815 -1.369 3.272
145 HA CYS 25 HA CYS 25 1.659 -0.251 0.946
146 HB2 CYS 25 HB3 CYS 25 4.491 0.211 1.913
147 HB3 CYS 25 HB2 CYS 25 3.453 1.328 1.032
148 H ALA 26 H ALA 26 4.216 -2.650 1.425
149 HA ALA 26 HA ALA 26 5.204 -2.768 -1.225
150 HB1 ALA 26 HB1 ALA 26 5.042 -5.020 0.798
151 HB2 ALA 26 HB2 ALA 26 6.357 -3.854 0.650
152 HB3 ALA 26 HB3 ALA 26 6.049 -5.006 -0.653
153 H GLY 27 H GLY 27 2.208 -3.905 0.153
154 HA2 GLY 27 HA3 GLY 27 1.623 -5.811 -1.997
155 HA3 GLY 27 HA2 GLY 27 0.599 -5.417 -0.624
156 H TRP 28 H TRP 28 1.133 -2.486 -1.289
157 HA TRP 28 HA TRP 28 -1.054 -2.183 -3.239
158 HB2 TRP 28 HB3 TRP 28 0.103 -0.229 -1.215
159 HB3 TRP 28 HB2 TRP 28 -1.264 0.107 -2.270
160 HD1 TRP 28 HD1 TRP 28 -0.883 -0.422 1.139
161 HE1 TRP 28 HE1 TRP 28 -2.836 -1.676 2.254
162 HE3 TRP 28 HE3 TRP 28 -3.004 -2.556 -3.023
163 HZ2 TRP 28 HZ2 TRP 28 -4.931 -3.388 1.500
164 HZ3 TRP 28 HZ3 TRP 28 -4.965 -4.011 -2.728
165 HH2 TRP 28 HH2 TRP 28 -5.912 -4.415 -0.510
166 H CYS 29 H CYS 29 2.322 -1.469 -2.750
167 HA CYS 29 HA CYS 29 2.537 0.163 -5.178
168 HB2 CYS 29 HB3 CYS 29 4.421 -0.555 -2.948
169 HB3 CYS 29 HB2 CYS 29 5.080 0.002 -4.482
170 H GLY 30 H GLY 30 4.389 -2.581 -3.863
171 HA2 GLY 30 HA3 GLY 30 4.361 -4.429 -5.807
172 HA3 GLY 30 HA2 GLY 30 5.490 -3.242 -6.430
173 H GLY 31 H GLY 31 6.294 -5.819 -5.870
174 HA2 GLY 31 HA3 GLY 31 8.387 -5.364 -3.864
175 HA3 GLY 31 HA2 GLY 31 7.301 -6.726 -3.581
176 H SER 32 H SER 32 8.734 -5.395 -6.542
177 HA SER 32 HA SER 32 10.473 -7.654 -7.012
178 HB2 SER 32 HB3 SER 32 8.292 -8.583 -7.760
179 HB3 SER 32 HB2 SER 32 8.040 -7.195 -8.816
180 HG SER 32 HG SER 32 9.669 -7.882 -10.119
Start of MODEL 17
1 H1 SER 1 HT1 SER 1 -3.657 -5.339 7.878
2 H2 SER 1 HT2 SER 1 -4.496 -5.704 6.456
3 H3 SER 1 HT3 SER 1 -4.994 -6.369 7.928
4 HA SER 1 HA SER 1 -6.434 -4.594 7.237
5 HB2 SER 1 HB3 SER 1 -4.739 -3.913 9.681
6 HB3 SER 1 HB2 SER 1 -6.364 -3.300 9.354
7 HG SER 1 HG SER 1 -7.060 -5.029 10.262
8 H CYS 2 H CYS 2 -6.712 -2.639 6.315
9 HA CYS 2 HA CYS 2 -4.827 -0.473 6.333
10 HB2 CYS 2 HB3 CYS 2 -3.833 -2.075 4.625
11 HB3 CYS 2 HB2 CYS 2 -5.254 -1.857 3.651
12 H GLY 3 H GLY 3 -5.660 1.219 4.617
13 HA2 GLY 3 HA3 GLY 3 -8.599 1.344 4.784
14 HA3 GLY 3 HA2 GLY 3 -7.509 2.667 4.401
15 H SER 4 H SER 4 -6.264 0.376 2.497
16 HA SER 4 HA SER 4 -6.015 0.278 0.260
17 HB2 SER 4 HB3 SER 4 -8.000 -0.468 -1.068
18 HB3 SER 4 HB2 SER 4 -7.786 -1.385 0.415
19 HG SER 4 HG SER 4 -9.474 0.833 0.501
20 H GLU 5 H GLU 5 -6.431 2.874 1.434
21 HA GLU 5 HA GLU 5 -7.819 4.538 -0.547
22 HB2 GLU 5 HB3 GLU 5 -8.198 4.786 1.969
23 HB3 GLU 5 HB2 GLU 5 -6.520 5.295 2.117
24 HG2 GLU 5 HG3 GLU 5 -7.898 7.254 2.153
25 HG3 GLU 5 HG2 GLU 5 -7.029 7.245 0.625
26 H CYS 6 H CYS 6 -4.726 4.126 1.076
27 HA CYS 6 HA CYS 6 -3.251 5.754 -0.835
28 HB2 CYS 6 HB3 CYS 6 -2.551 4.456 1.811
29 HB3 CYS 6 HB2 CYS 6 -1.374 5.207 0.768
30 H ALA 7 H ALA 7 -4.359 3.448 -1.921
31 HA ALA 7 HA ALA 7 -1.965 1.925 -2.738
32 HB1 ALA 7 HB1 ALA 7 -3.964 0.678 -2.032
33 HB2 ALA 7 HB2 ALA 7 -3.555 0.359 -3.719
34 HB3 ALA 7 HB3 ALA 7 -4.889 1.443 -3.320
35 HA PRO 8 HA PRO 8 -3.820 4.290 -6.745
36 HB2 PRO 8 HB3 PRO 8 -2.617 6.967 -6.147
37 HB3 PRO 8 HB2 PRO 8 -4.247 6.569 -6.705
38 HG2 PRO 8 HG3 PRO 8 -3.807 7.451 -4.219
39 HG3 PRO 8 HG2 PRO 8 -5.049 6.215 -4.550
40 HD2 PRO 8 HD3 PRO 8 -2.235 5.806 -3.500
41 HD3 PRO 8 HD2 PRO 8 -3.772 5.123 -2.935
42 H GLU 9 H GLU 9 -0.863 5.638 -5.299
43 HA GLU 9 HA GLU 9 0.381 6.100 -7.806
44 HB2 GLU 9 HB3 GLU 9 1.472 6.314 -4.958
45 HB3 GLU 9 HB2 GLU 9 2.187 7.023 -6.390
46 HG2 GLU 9 HG3 GLU 9 -0.485 7.778 -5.175
47 HG3 GLU 9 HG2 GLU 9 0.998 8.725 -5.090
48 HA PRO 10 HA PRO 10 3.237 2.472 -7.814
49 HB2 PRO 10 HB3 PRO 10 5.537 3.640 -8.804
50 HB3 PRO 10 HB2 PRO 10 4.159 3.210 -9.836
51 HG2 PRO 10 HG3 PRO 10 4.879 5.885 -8.682
52 HG3 PRO 10 HG2 PRO 10 4.324 5.476 -10.321
53 HD2 PRO 10 HD3 PRO 10 2.646 6.497 -8.470
54 HD3 PRO 10 HD2 PRO 10 2.098 5.326 -9.690
55 H ASP 11 H ASP 11 4.034 5.561 -6.366
56 HA ASP 11 HA ASP 11 5.841 4.345 -4.361
57 HB2 ASP 11 HB3 ASP 11 6.713 6.619 -4.002
58 HB3 ASP 11 HB2 ASP 11 6.804 6.205 -5.710
59 H CYS 12 H CYS 12 2.930 4.112 -4.329
60 HA CYS 12 HA CYS 12 1.610 5.792 -2.487
61 HB2 CYS 12 HB3 CYS 12 0.199 3.613 -2.132
62 HB3 CYS 12 HB2 CYS 12 0.178 4.413 -3.694
63 H TRP 13 H TRP 13 4.104 3.561 -1.865
64 HA TRP 13 HA TRP 13 3.887 2.711 0.704
65 HB2 TRP 13 HB3 TRP 13 6.315 4.007 -0.587
66 HB3 TRP 13 HB2 TRP 13 6.335 2.978 0.776
67 HD1 TRP 13 HD1 TRP 13 6.178 2.859 -2.973
68 HE1 TRP 13 HE1 TRP 13 6.477 0.414 -3.763
69 HE3 TRP 13 HE3 TRP 13 5.825 0.594 1.519
70 HZ2 TRP 13 HZ2 TRP 13 6.561 -2.159 -2.572
71 HZ3 TRP 13 HZ3 TRP 13 6.010 -1.877 1.663
72 HH2 TRP 13 HH2 TRP 13 6.371 -3.223 -0.357
73 H GLY 14 H GLY 14 4.508 5.968 -0.460
74 HA2 GLY 14 HA3 GLY 14 5.046 7.118 2.195
75 HA3 GLY 14 HA2 GLY 14 5.128 7.959 0.649
76 H CYS 15 H CYS 15 2.602 6.076 2.199
77 HA CYS 15 HA CYS 15 0.762 8.180 2.724
78 HB2 CYS 15 HB3 CYS 15 0.768 7.762 0.140
79 HB3 CYS 15 HB2 CYS 15 -0.036 6.264 0.485
80 H CYS 16 H CYS 16 1.250 4.816 1.890
81 HA CYS 16 HA CYS 16 -1.005 3.696 3.264
82 HB2 CYS 16 HB3 CYS 16 -0.168 2.762 1.230
83 HB3 CYS 16 HB2 CYS 16 1.430 2.574 1.880
84 H LEU 17 H LEU 17 2.518 3.740 3.950
85 HA LEU 17 HA LEU 17 2.287 1.954 6.165
86 HB2 LEU 17 HB3 LEU 17 4.565 3.658 5.179
87 HB3 LEU 17 HB2 LEU 17 4.695 2.707 6.649
88 HG LEU 17 HG LEU 17 3.817 0.744 5.053
89 HD11 LEU 17 HD11 LEU 17 3.530 2.085 3.064
90 HD12 LEU 17 HD12 LEU 17 4.754 0.845 2.815
91 HD13 LEU 17 HD13 LEU 17 5.240 2.524 3.077
92 HD21 LEU 17 HD21 LEU 17 6.683 1.660 5.158
93 HD22 LEU 17 HD22 LEU 17 6.118 0.052 4.683
94 HD23 LEU 17 HD23 LEU 17 5.831 0.635 6.322
95 H VAL 18 H VAL 18 1.271 5.114 6.258
96 HA VAL 18 HA VAL 18 2.015 5.570 9.052
97 HB VAL 18 HB VAL 18 1.731 7.567 7.659
98 HG11 VAL 18 HG11 VAL 18 -0.421 8.290 6.737
99 HG12 VAL 18 HG12 VAL 18 -1.179 6.796 7.294
100 HG13 VAL 18 HG13 VAL 18 0.073 6.740 6.054
101 HG21 VAL 18 HG21 VAL 18 -0.481 7.423 9.748
102 HG22 VAL 18 HG22 VAL 18 0.231 8.905 9.101
103 HG23 VAL 18 HG23 VAL 18 1.216 7.801 10.060
104 H GLN 19 H GLN 19 -0.568 4.063 7.265
105 HA GLN 19 HA GLN 19 -2.093 3.465 9.725
106 HB2 GLN 19 HB3 GLN 19 -4.198 3.821 8.190
107 HB3 GLN 19 HB2 GLN 19 -3.392 5.214 8.877
108 HG2 GLN 19 HG3 GLN 19 -3.753 5.894 6.692
109 HG3 GLN 19 HG2 GLN 19 -2.106 5.339 6.629
110 HE21 GLN 19 HE21 GLN 19 -2.174 5.040 4.436
111 HE22 GLN 19 HE22 GLN 19 -3.052 3.754 3.696
112 H CYS 20 H CYS 20 -0.377 2.123 7.277
113 HA CYS 20 HA CYS 20 -1.643 -0.484 7.773
114 HB2 CYS 20 HB3 CYS 20 -0.631 0.046 4.963
115 HB3 CYS 20 HB2 CYS 20 -1.796 -1.103 5.504
116 H ALA 21 H ALA 21 -0.050 -2.256 7.348
117 HA ALA 21 HA ALA 21 2.666 -1.498 8.111
118 HB1 ALA 21 HB1 ALA 21 1.532 -3.354 9.275
119 HB2 ALA 21 HB2 ALA 21 2.978 -3.928 8.446
120 HB3 ALA 21 HB3 ALA 21 1.386 -4.241 7.754
121 HA PRO 22 HA PRO 22 4.567 -1.999 3.995
122 HB2 PRO 22 HB3 PRO 22 6.853 -3.510 4.644
123 HB3 PRO 22 HB2 PRO 22 6.722 -1.750 4.802
124 HG2 PRO 22 HG3 PRO 22 6.399 -3.846 6.909
125 HG3 PRO 22 HG2 PRO 22 7.202 -2.260 7.000
126 HD2 PRO 22 HD3 PRO 22 4.753 -2.620 8.035
127 HD3 PRO 22 HD2 PRO 22 5.185 -1.103 7.241
128 H SER 23 H SER 23 3.933 -4.837 5.980
129 HA SER 23 HA SER 23 4.098 -6.863 4.029
130 HB2 SER 23 HB3 SER 23 2.499 -8.101 5.541
131 HB3 SER 23 HB2 SER 23 3.866 -7.396 6.408
132 HG SER 23 HG SER 23 1.719 -7.058 7.355
133 H ILE 24 H ILE 24 1.568 -4.553 4.845
134 HA ILE 24 HA ILE 24 -0.437 -5.695 3.087
135 HB ILE 24 HB ILE 24 -0.579 -2.926 4.362
136 HG12 ILE 24 HG13 ILE 24 0.040 -4.473 6.196
137 HG13 ILE 24 HG12 ILE 24 -1.604 -3.871 6.374
138 HG21 ILE 24 HG21 ILE 24 -3.009 -3.401 4.392
139 HG22 ILE 24 HG22 ILE 24 -2.710 -4.950 3.600
140 HG23 ILE 24 HG23 ILE 24 -2.330 -3.440 2.767
141 HD11 ILE 24 HD11 ILE 24 -0.829 -6.617 5.370
142 HD12 ILE 24 HD12 ILE 24 -2.479 -6.020 5.564
143 HD13 ILE 24 HD13 ILE 24 -1.443 -6.225 6.975
144 H CYS 25 H CYS 25 1.590 -2.795 3.240
145 HA CYS 25 HA CYS 25 0.722 -1.496 0.889
146 HB2 CYS 25 HB3 CYS 25 3.384 -1.244 2.348
147 HB3 CYS 25 HB2 CYS 25 2.708 -0.064 1.231
148 H ALA 26 H ALA 26 3.093 -4.031 1.458
149 HA ALA 26 HA ALA 26 4.388 -4.056 -1.058
150 HB1 ALA 26 HB1 ALA 26 3.789 -6.398 0.779
151 HB2 ALA 26 HB2 ALA 26 5.198 -5.339 0.872
152 HB3 ALA 26 HB3 ALA 26 4.972 -6.385 -0.529
153 H GLY 27 H GLY 27 1.252 -5.284 -0.037
154 HA2 GLY 27 HA3 GLY 27 0.680 -6.828 -2.402
155 HA3 GLY 27 HA2 GLY 27 -0.462 -6.329 -1.164
156 H TRP 28 H TRP 28 -0.209 -3.585 -1.257
157 HA TRP 28 HA TRP 28 -1.937 -2.977 -3.466
158 HB2 TRP 28 HB3 TRP 28 -0.732 -1.127 -1.362
159 HB3 TRP 28 HB2 TRP 28 -2.023 -0.689 -2.477
160 HD1 TRP 28 HD1 TRP 28 -1.599 -1.782 0.972
161 HE1 TRP 28 HE1 TRP 28 -3.776 -2.759 1.926
162 HE3 TRP 28 HE3 TRP 28 -4.223 -2.455 -3.386
163 HZ2 TRP 28 HZ2 TRP 28 -6.238 -3.720 0.996
164 HZ3 TRP 28 HZ3 TRP 28 -6.484 -3.426 -3.260
165 HH2 TRP 28 HH2 TRP 28 -7.475 -4.046 -1.108
166 H CYS 29 H CYS 29 1.229 -1.657 -2.464
167 HA CYS 29 HA CYS 29 1.536 -0.035 -4.802
168 HB2 CYS 29 HB3 CYS 29 3.436 -0.710 -2.539
169 HB3 CYS 29 HB2 CYS 29 3.819 0.429 -3.827
170 H GLY 30 H GLY 30 3.490 -2.840 -3.600
171 HA2 GLY 30 HA3 GLY 30 4.616 -3.128 -6.342
172 HA3 GLY 30 HA2 GLY 30 5.551 -3.324 -4.876
173 H GLY 31 H GLY 31 5.983 -5.355 -4.379
174 HA2 GLY 31 HA3 GLY 31 4.629 -7.469 -3.671
175 HA3 GLY 31 HA2 GLY 31 4.329 -7.581 -5.408
176 H SER 32 H SER 32 6.587 -8.076 -2.857
177 HA SER 32 HA SER 32 8.618 -9.167 -4.711
178 HB2 SER 32 HB3 SER 32 9.117 -7.202 -2.428
179 HB3 SER 32 HB2 SER 32 10.389 -8.044 -3.319
180 HG SER 32 HG SER 32 8.460 -6.288 -4.463
Start of MODEL 18
1 H1 SER 1 HT1 SER 1 -8.505 -6.287 5.888
2 H2 SER 1 HT2 SER 1 -7.450 -6.300 7.205
3 H3 SER 1 HT3 SER 1 -7.373 -7.530 6.050
4 HA SER 1 HA SER 1 -5.575 -5.942 5.801
5 HB2 SER 1 HB3 SER 1 -6.468 -7.199 3.839
6 HB3 SER 1 HB2 SER 1 -7.618 -5.902 3.527
7 HG SER 1 HG SER 1 -5.323 -6.069 2.461
8 H CYS 2 H CYS 2 -5.431 -3.731 4.282
9 HA CYS 2 HA CYS 2 -6.726 -1.650 5.888
10 HB2 CYS 2 HB3 CYS 2 -4.522 -1.423 3.802
11 HB3 CYS 2 HB2 CYS 2 -5.041 -0.170 4.920
12 H GLY 3 H GLY 3 -6.971 0.471 4.250
13 HA2 GLY 3 HA3 GLY 3 -9.612 -0.130 3.286
14 HA3 GLY 3 HA2 GLY 3 -8.847 1.440 3.382
15 H SER 4 H SER 4 -6.847 -0.476 1.568
16 HA SER 4 HA SER 4 -6.310 -0.659 -0.591
17 HB2 SER 4 HB3 SER 4 -9.200 -0.038 -1.312
18 HB3 SER 4 HB2 SER 4 -8.004 -0.849 -2.325
19 HG SER 4 HG SER 4 -8.944 -2.547 -1.497
20 H GLU 5 H GLU 5 -6.960 2.107 0.884
21 HA GLU 5 HA GLU 5 -7.332 3.937 -1.345
22 HB2 GLU 5 HB3 GLU 5 -8.443 4.212 0.922
23 HB3 GLU 5 HB2 GLU 5 -6.858 4.563 1.602
24 HG2 GLU 5 HG3 GLU 5 -6.675 6.576 0.205
25 HG3 GLU 5 HG2 GLU 5 -8.214 6.211 -0.567
26 H CYS 6 H CYS 6 -4.757 2.579 0.485
27 HA CYS 6 HA CYS 6 -2.760 4.357 -0.732
28 HB2 CYS 6 HB3 CYS 6 -2.634 2.283 1.482
29 HB3 CYS 6 HB2 CYS 6 -1.263 3.183 0.879
30 H ALA 7 H ALA 7 -4.212 2.574 -2.364
31 HA ALA 7 HA ALA 7 -2.083 0.826 -3.426
32 HB1 ALA 7 HB1 ALA 7 -4.268 -0.219 -2.995
33 HB2 ALA 7 HB2 ALA 7 -3.851 -0.270 -4.708
34 HB3 ALA 7 HB3 ALA 7 -5.029 0.908 -4.119
35 HA PRO 8 HA PRO 8 -3.607 4.016 -7.013
36 HB2 PRO 8 HB3 PRO 8 -2.341 6.478 -5.840
37 HB3 PRO 8 HB2 PRO 8 -3.903 6.287 -6.644
38 HG2 PRO 8 HG3 PRO 8 -3.770 6.672 -4.016
39 HG3 PRO 8 HG2 PRO 8 -4.964 5.544 -4.694
40 HD2 PRO 8 HD3 PRO 8 -2.304 4.903 -3.420
41 HD3 PRO 8 HD2 PRO 8 -3.894 4.151 -3.162
42 H GLU 9 H GLU 9 -0.690 5.046 -5.245
43 HA GLU 9 HA GLU 9 0.765 5.599 -7.647
44 HB2 GLU 9 HB3 GLU 9 1.405 5.735 -4.667
45 HB3 GLU 9 HB2 GLU 9 2.575 6.164 -5.896
46 HG2 GLU 9 HG3 GLU 9 -0.111 7.508 -5.530
47 HG3 GLU 9 HG2 GLU 9 1.424 8.130 -4.925
48 HA PRO 10 HA PRO 10 3.534 1.843 -7.455
49 HB2 PRO 10 HB3 PRO 10 5.886 2.997 -8.329
50 HB3 PRO 10 HB2 PRO 10 4.575 2.548 -9.441
51 HG2 PRO 10 HG3 PRO 10 5.182 5.248 -8.251
52 HG3 PRO 10 HG2 PRO 10 4.804 4.827 -9.940
53 HD2 PRO 10 HD3 PRO 10 2.921 5.848 -8.324
54 HD3 PRO 10 HD2 PRO 10 2.519 4.597 -9.522
55 H ASP 11 H ASP 11 4.083 4.970 -6.047
56 HA ASP 11 HA ASP 11 5.997 4.094 -4.009
57 HB2 ASP 11 HB3 ASP 11 6.288 6.241 -5.317
58 HB3 ASP 11 HB2 ASP 11 4.804 6.847 -4.608
59 H CYS 12 H CYS 12 3.110 3.226 -4.144
60 HA CYS 12 HA CYS 12 1.468 4.429 -2.208
61 HB2 CYS 12 HB3 CYS 12 0.387 2.075 -2.264
62 HB3 CYS 12 HB2 CYS 12 0.375 3.047 -3.728
63 H TRP 13 H TRP 13 4.186 2.317 -1.778
64 HA TRP 13 HA TRP 13 3.731 1.145 0.696
65 HB2 TRP 13 HB3 TRP 13 6.301 2.234 -0.502
66 HB3 TRP 13 HB2 TRP 13 6.220 1.190 0.850
67 HD1 TRP 13 HD1 TRP 13 5.923 1.156 -2.906
68 HE1 TRP 13 HE1 TRP 13 5.917 -1.288 -3.727
69 HE3 TRP 13 HE3 TRP 13 5.633 -1.131 1.580
70 HZ2 TRP 13 HZ2 TRP 13 5.801 -3.877 -2.570
71 HZ3 TRP 13 HZ3 TRP 13 5.576 -3.608 1.689
72 HH2 TRP 13 HH2 TRP 13 5.661 -4.950 -0.357
73 H GLY 14 H GLY 14 4.613 4.418 -0.177
74 HA2 GLY 14 HA3 GLY 14 5.500 5.385 2.362
75 HA3 GLY 14 HA2 GLY 14 4.911 6.374 1.033
76 H CYS 15 H CYS 15 2.388 5.065 0.878
77 HA CYS 15 HA CYS 15 0.865 6.671 2.725
78 HB2 CYS 15 HB3 CYS 15 0.332 6.172 0.262
79 HB3 CYS 15 HB2 CYS 15 -0.134 4.579 0.754
80 H CYS 16 H CYS 16 1.409 3.275 2.077
81 HA CYS 16 HA CYS 16 -0.663 2.298 3.842
82 HB2 CYS 16 HB3 CYS 16 -0.315 1.289 1.705
83 HB3 CYS 16 HB2 CYS 16 1.383 1.029 2.009
84 H LEU 17 H LEU 17 2.905 2.200 3.784
85 HA LEU 17 HA LEU 17 3.224 0.444 5.990
86 HB2 LEU 17 HB3 LEU 17 5.158 2.392 4.704
87 HB3 LEU 17 HB2 LEU 17 5.633 1.297 5.999
88 HG LEU 17 HG LEU 17 4.641 0.471 3.240
89 HD11 LEU 17 HD11 LEU 17 6.917 1.372 3.201
90 HD12 LEU 17 HD12 LEU 17 6.910 -0.361 2.880
91 HD13 LEU 17 HD13 LEU 17 7.400 0.238 4.468
92 HD21 LEU 17 HD21 LEU 17 5.563 -1.295 5.531
93 HD22 LEU 17 HD22 LEU 17 5.182 -1.835 3.894
94 HD23 LEU 17 HD23 LEU 17 3.914 -1.164 4.914
95 H VAL 18 H VAL 18 2.139 3.662 6.199
96 HA VAL 18 HA VAL 18 3.432 4.202 8.794
97 HB VAL 18 HB VAL 18 3.098 6.108 7.251
98 HG11 VAL 18 HG11 VAL 18 0.868 7.025 6.770
99 HG12 VAL 18 HG12 VAL 18 0.116 5.663 7.607
100 HG13 VAL 18 HG13 VAL 18 1.045 5.390 6.134
101 HG21 VAL 18 HG21 VAL 18 1.403 6.392 9.765
102 HG22 VAL 18 HG22 VAL 18 2.122 7.719 8.841
103 HG23 VAL 18 HG23 VAL 18 3.162 6.566 9.680
104 H GLN 19 H GLN 19 0.690 2.614 7.631
105 HA GLN 19 HA GLN 19 -0.744 2.672 10.217
106 HB2 GLN 19 HB3 GLN 19 -2.863 2.955 8.912
107 HB3 GLN 19 HB2 GLN 19 -1.801 4.335 8.770
108 HG2 GLN 19 HG3 GLN 19 -1.023 3.478 6.602
109 HG3 GLN 19 HG2 GLN 19 -2.147 2.138 6.714
110 HE21 GLN 19 HE21 GLN 19 -1.825 4.390 4.809
111 HE22 GLN 19 HE22 GLN 19 -3.397 5.102 4.686
112 H CYS 20 H CYS 20 0.721 0.801 7.897
113 HA CYS 20 HA CYS 20 -0.816 -1.609 8.553
114 HB2 CYS 20 HB3 CYS 20 -0.077 -0.886 5.687
115 HB3 CYS 20 HB2 CYS 20 -0.977 -2.286 6.215
116 H ALA 21 H ALA 21 0.358 -3.579 7.710
117 HA ALA 21 HA ALA 21 3.266 -3.382 8.052
118 HB1 ALA 21 HB1 ALA 21 3.159 -5.865 8.188
119 HB2 ALA 21 HB2 ALA 21 1.428 -5.813 7.845
120 HB3 ALA 21 HB3 ALA 21 2.054 -5.112 9.339
121 HA PRO 22 HA PRO 22 4.179 -3.860 3.615
122 HB2 PRO 22 HB3 PRO 22 6.281 -5.722 3.721
123 HB3 PRO 22 HB2 PRO 22 6.456 -3.972 3.935
124 HG2 PRO 22 HG3 PRO 22 6.262 -6.112 6.021
125 HG3 PRO 22 HG2 PRO 22 7.299 -4.668 5.976
126 HD2 PRO 22 HD3 PRO 22 5.091 -4.716 7.505
127 HD3 PRO 22 HD2 PRO 22 5.572 -3.237 6.663
128 H SER 23 H SER 23 3.299 -6.649 5.566
129 HA SER 23 HA SER 23 2.822 -8.523 3.500
130 HB2 SER 23 HB3 SER 23 1.376 -8.158 6.155
131 HB3 SER 23 HB2 SER 23 1.247 -9.584 5.123
132 HG SER 23 HG SER 23 3.832 -8.855 5.705
133 H ILE 24 H ILE 24 0.879 -5.834 4.774
134 HA ILE 24 HA ILE 24 -1.463 -6.344 3.165
135 HB ILE 24 HB ILE 24 -0.619 -3.750 4.561
136 HG12 ILE 24 HG13 ILE 24 -0.903 -5.466 6.274
137 HG13 ILE 24 HG12 ILE 24 -2.254 -4.324 6.344
138 HG21 ILE 24 HG21 ILE 24 -2.999 -3.107 4.396
139 HG22 ILE 24 HG22 ILE 24 -3.333 -4.567 3.474
140 HG23 ILE 24 HG23 ILE 24 -2.266 -3.330 2.811
141 HD11 ILE 24 HD11 ILE 24 -3.684 -5.966 5.206
142 HD12 ILE 24 HD12 ILE 24 -2.998 -6.613 6.696
143 HD13 ILE 24 HD13 ILE 24 -2.334 -7.104 5.140
144 H CYS 25 H CYS 25 1.228 -4.029 3.134
145 HA CYS 25 HA CYS 25 0.359 -2.475 0.958
146 HB2 CYS 25 HB3 CYS 25 3.199 -2.715 1.999
147 HB3 CYS 25 HB2 CYS 25 2.481 -1.336 1.171
148 H ALA 26 H ALA 26 2.315 -5.409 1.071
149 HA ALA 26 HA ALA 26 3.421 -5.264 -1.553
150 HB1 ALA 26 HB1 ALA 26 4.265 -6.826 0.154
151 HB2 ALA 26 HB2 ALA 26 3.823 -7.676 -1.327
152 HB3 ALA 26 HB3 ALA 26 2.757 -7.739 0.082
153 H GLY 27 H GLY 27 0.256 -6.171 -0.343
154 HA2 GLY 27 HA3 GLY 27 -0.579 -7.655 -2.684
155 HA3 GLY 27 HA2 GLY 27 -1.579 -7.173 -1.322
156 H TRP 28 H TRP 28 -0.853 -4.356 -1.504
157 HA TRP 28 HA TRP 28 -2.746 -3.552 -3.583
158 HB2 TRP 28 HB3 TRP 28 -1.375 -1.899 -1.417
159 HB3 TRP 28 HB2 TRP 28 -2.692 -1.353 -2.450
160 HD1 TRP 28 HD1 TRP 28 -2.240 -2.404 0.929
161 HE1 TRP 28 HE1 TRP 28 -4.376 -3.402 1.958
162 HE3 TRP 28 HE3 TRP 28 -4.901 -3.342 -3.356
163 HZ2 TRP 28 HZ2 TRP 28 -6.805 -4.479 1.114
164 HZ3 TRP 28 HZ3 TRP 28 -7.124 -4.386 -3.148
165 HH2 TRP 28 HH2 TRP 28 -8.058 -4.945 -0.956
166 H CYS 29 H CYS 29 0.669 -3.119 -2.762
167 HA CYS 29 HA CYS 29 1.188 -1.391 -5.067
168 HB2 CYS 29 HB3 CYS 29 3.012 -2.434 -2.874
169 HB3 CYS 29 HB2 CYS 29 3.525 -1.368 -4.175
170 H GLY 30 H GLY 30 3.060 -4.214 -3.837
171 HA2 GLY 30 HA3 GLY 30 3.204 -5.545 -6.325
172 HA3 GLY 30 HA2 GLY 30 4.571 -4.472 -6.145
173 H GLY 31 H GLY 31 6.038 -4.806 -4.382
174 HA2 GLY 31 HA3 GLY 31 5.930 -6.980 -2.564
175 HA3 GLY 31 HA2 GLY 31 6.840 -7.464 -3.993
176 H SER 32 H SER 32 7.899 -7.246 -1.340
177 HA SER 32 HA SER 32 10.183 -5.506 -1.801
178 HB2 SER 32 HB3 SER 32 8.586 -3.956 -0.681
179 HB3 SER 32 HB2 SER 32 8.397 -5.095 0.651
180 HG SER 32 HG SER 32 10.659 -3.552 -0.070
Start of MODEL 19
1 H1 SER 1 HT1 SER 1 -3.527 -3.642 8.726
2 H2 SER 1 HT2 SER 1 -2.126 -3.368 7.827
3 H3 SER 1 HT3 SER 1 -2.881 -4.877 7.769
4 HA SER 1 HA SER 1 -3.317 -3.630 5.781
5 HB2 SER 1 HB3 SER 1 -5.829 -3.780 5.871
6 HB3 SER 1 HB2 SER 1 -5.021 -5.211 6.513
7 HG SER 1 HG SER 1 -6.843 -4.231 7.751
8 H CYS 2 H CYS 2 -4.502 -1.811 4.792
9 HA CYS 2 HA CYS 2 -4.626 0.631 6.442
10 HB2 CYS 2 HB3 CYS 2 -2.987 0.466 3.872
11 HB3 CYS 2 HB2 CYS 2 -3.067 1.801 5.011
12 H GLY 3 H GLY 3 -4.894 2.435 4.305
13 HA2 GLY 3 HA3 GLY 3 -7.725 2.046 3.771
14 HA3 GLY 3 HA2 GLY 3 -6.770 3.488 3.467
15 H SER 4 H SER 4 -4.858 1.438 2.038
16 HA SER 4 HA SER 4 -4.460 0.514 0.052
17 HB2 SER 4 HB3 SER 4 -7.425 0.786 -0.555
18 HB3 SER 4 HB2 SER 4 -6.262 -0.121 -1.527
19 HG SER 4 HG SER 4 -6.777 -1.701 -0.253
20 H GLU 5 H GLU 5 -5.604 3.597 0.514
21 HA GLU 5 HA GLU 5 -5.306 4.493 -2.267
22 HB2 GLU 5 HB3 GLU 5 -7.325 5.122 -0.819
23 HB3 GLU 5 HB2 GLU 5 -6.235 6.134 0.121
24 HG2 GLU 5 HG3 GLU 5 -5.760 7.519 -1.853
25 HG3 GLU 5 HG2 GLU 5 -6.734 6.457 -2.866
26 H CYS 6 H CYS 6 -3.189 3.728 -0.075
27 HA CYS 6 HA CYS 6 -1.342 5.918 -0.696
28 HB2 CYS 6 HB3 CYS 6 -1.239 3.615 1.287
29 HB3 CYS 6 HB2 CYS 6 0.114 4.663 0.946
30 H ALA 7 H ALA 7 -2.441 3.826 -2.520
31 HA ALA 7 HA ALA 7 0.059 2.752 -3.642
32 HB1 ALA 7 HB1 ALA 7 -1.870 1.252 -3.426
33 HB2 ALA 7 HB2 ALA 7 -1.397 1.454 -5.115
34 HB3 ALA 7 HB3 ALA 7 -2.808 2.307 -4.481
35 HA PRO 8 HA PRO 8 -2.009 5.725 -7.103
36 HB2 PRO 8 HB3 PRO 8 -1.609 8.398 -5.830
37 HB3 PRO 8 HB2 PRO 8 -3.054 7.731 -6.594
38 HG2 PRO 8 HG3 PRO 8 -2.904 8.105 -3.934
39 HG3 PRO 8 HG2 PRO 8 -3.796 6.734 -4.625
40 HD2 PRO 8 HD3 PRO 8 -1.026 6.751 -3.449
41 HD3 PRO 8 HD2 PRO 8 -2.357 5.606 -3.206
42 H GLU 9 H GLU 9 0.400 7.299 -5.038
43 HA GLU 9 HA GLU 9 1.640 8.700 -7.155
44 HB2 GLU 9 HB3 GLU 9 2.335 8.329 -4.201
45 HB3 GLU 9 HB2 GLU 9 3.167 9.443 -5.267
46 HG2 GLU 9 HG3 GLU 9 0.230 9.569 -4.541
47 HG3 GLU 9 HG2 GLU 9 1.503 10.591 -3.870
48 HA PRO 10 HA PRO 10 5.337 5.951 -7.710
49 HB2 PRO 10 HB3 PRO 10 7.233 7.895 -8.252
50 HB3 PRO 10 HB2 PRO 10 6.067 7.323 -9.464
51 HG2 PRO 10 HG3 PRO 10 5.935 9.789 -7.753
52 HG3 PRO 10 HG2 PRO 10 5.587 9.605 -9.485
53 HD2 PRO 10 HD3 PRO 10 3.606 9.707 -7.659
54 HD3 PRO 10 HD2 PRO 10 3.483 8.686 -9.110
55 H ASP 11 H ASP 11 5.091 8.716 -5.635
56 HA ASP 11 HA ASP 11 7.191 7.866 -3.759
57 HB2 ASP 11 HB3 ASP 11 7.146 10.234 -4.615
58 HB3 ASP 11 HB2 ASP 11 5.546 10.441 -3.916
59 H CYS 12 H CYS 12 4.618 6.440 -4.107
60 HA CYS 12 HA CYS 12 2.666 7.053 -2.161
61 HB2 CYS 12 HB3 CYS 12 1.992 4.641 -2.547
62 HB3 CYS 12 HB2 CYS 12 2.026 5.675 -3.972
63 H TRP 13 H TRP 13 5.732 5.454 -1.799
64 HA TRP 13 HA TRP 13 5.470 3.970 0.510
65 HB2 TRP 13 HB3 TRP 13 7.748 5.775 -0.388
66 HB3 TRP 13 HB2 TRP 13 7.862 4.625 0.876
67 HD1 TRP 13 HD1 TRP 13 7.695 4.815 -2.897
68 HE1 TRP 13 HE1 TRP 13 8.396 2.531 -3.882
69 HE3 TRP 13 HE3 TRP 13 7.953 2.212 1.417
70 HZ2 TRP 13 HZ2 TRP 13 8.997 -0.069 -2.900
71 HZ3 TRP 13 HZ3 TRP 13 8.599 -0.185 1.362
72 HH2 TRP 13 HH2 TRP 13 9.110 -1.299 -0.763
73 H GLY 14 H GLY 14 5.633 7.435 0.020
74 HA2 GLY 14 HA3 GLY 14 6.168 8.272 2.704
75 HA3 GLY 14 HA2 GLY 14 5.541 9.275 1.404
76 H CYS 15 H CYS 15 3.226 7.703 0.870
77 HA CYS 15 HA CYS 15 1.314 8.787 2.675
78 HB2 CYS 15 HB3 CYS 15 0.923 8.186 0.235
79 HB3 CYS 15 HB2 CYS 15 0.910 6.511 0.689
80 H CYS 16 H CYS 16 2.494 5.548 2.039
81 HA CYS 16 HA CYS 16 0.725 4.201 3.825
82 HB2 CYS 16 HB3 CYS 16 1.343 3.025 1.916
83 HB3 CYS 16 HB2 CYS 16 3.025 3.471 2.036
84 H LEU 17 H LEU 17 4.257 4.730 3.890
85 HA LEU 17 HA LEU 17 4.920 3.393 6.197
86 HB2 LEU 17 HB3 LEU 17 6.206 5.828 4.937
87 HB3 LEU 17 HB2 LEU 17 6.923 5.014 6.323
88 HG LEU 17 HG LEU 17 6.445 3.767 3.584
89 HD11 LEU 17 HD11 LEU 17 8.301 5.365 3.579
90 HD12 LEU 17 HD12 LEU 17 8.878 3.710 3.384
91 HD13 LEU 17 HD13 LEU 17 9.040 4.521 4.944
92 HD21 LEU 17 HD21 LEU 17 7.750 2.542 6.033
93 HD22 LEU 17 HD22 LEU 17 7.671 1.819 4.424
94 HD23 LEU 17 HD23 LEU 17 6.193 2.081 5.341
95 H VAL 18 H VAL 18 3.284 6.515 6.156
96 HA VAL 18 HA VAL 18 4.288 7.384 8.741
97 HB VAL 18 HB VAL 18 3.601 9.034 7.005
98 HG11 VAL 18 HG11 VAL 18 0.754 8.126 7.540
99 HG12 VAL 18 HG12 VAL 18 1.673 7.850 6.062
100 HG13 VAL 18 HG13 VAL 18 1.235 9.492 6.527
101 HG21 VAL 18 HG21 VAL 18 1.955 9.279 9.557
102 HG22 VAL 18 HG22 VAL 18 2.403 10.606 8.477
103 HG23 VAL 18 HG23 VAL 18 3.652 9.744 9.374
104 H GLN 19 H GLN 19 1.985 5.117 7.812
105 HA GLN 19 HA GLN 19 0.656 5.016 10.428
106 HB2 GLN 19 HB3 GLN 19 -1.583 5.047 9.298
107 HB3 GLN 19 HB2 GLN 19 -0.722 6.557 9.124
108 HG2 GLN 19 HG3 GLN 19 0.041 5.694 6.864
109 HG3 GLN 19 HG2 GLN 19 -1.141 4.409 7.036
110 HE21 GLN 19 HE21 GLN 19 -0.855 6.688 5.146
111 HE22 GLN 19 HE22 GLN 19 -2.391 7.493 5.178
112 H CYS 20 H CYS 20 2.289 3.427 8.107
113 HA CYS 20 HA CYS 20 1.232 0.794 8.796
114 HB2 CYS 20 HB3 CYS 20 1.620 1.643 5.892
115 HB3 CYS 20 HB2 CYS 20 1.065 0.080 6.463
116 H ALA 21 H ALA 21 2.725 -0.920 7.833
117 HA ALA 21 HA ALA 21 5.520 -0.198 8.330
118 HB1 ALA 21 HB1 ALA 21 4.569 -2.204 9.420
119 HB2 ALA 21 HB2 ALA 21 5.895 -2.647 8.345
120 HB3 ALA 21 HB3 ALA 21 4.223 -2.917 7.842
121 HA PRO 22 HA PRO 22 7.084 -0.476 3.980
122 HB2 PRO 22 HB3 PRO 22 8.994 -2.460 5.257
123 HB3 PRO 22 HB2 PRO 22 9.345 -1.136 4.122
124 HG2 PRO 22 HG3 PRO 22 9.872 -0.861 6.715
125 HG3 PRO 22 HG2 PRO 22 9.223 0.501 5.771
126 HD2 PRO 22 HD3 PRO 22 7.833 -1.218 7.775
127 HD3 PRO 22 HD2 PRO 22 7.554 0.477 7.374
128 H SER 23 H SER 23 6.228 -3.309 5.915
129 HA SER 23 HA SER 23 6.071 -5.291 3.951
130 HB2 SER 23 HB3 SER 23 4.228 -4.869 6.343
131 HB3 SER 23 HB2 SER 23 4.487 -6.392 5.481
132 HG SER 23 HG SER 23 6.846 -5.828 6.064
133 H ILE 24 H ILE 24 3.664 -2.843 4.915
134 HA ILE 24 HA ILE 24 1.615 -3.676 3.064
135 HB ILE 24 HB ILE 24 1.902 -1.061 4.622
136 HG12 ILE 24 HG13 ILE 24 1.653 -2.944 6.174
137 HG13 ILE 24 HG12 ILE 24 0.164 -1.995 6.153
138 HG21 ILE 24 HG21 ILE 24 0.442 -0.727 2.685
139 HG22 ILE 24 HG22 ILE 24 -0.501 -0.690 4.167
140 HG23 ILE 24 HG23 ILE 24 -0.534 -2.123 3.144
141 HD11 ILE 24 HD11 ILE 24 -0.299 -4.377 6.244
142 HD12 ILE 24 HD12 ILE 24 0.603 -4.645 4.754
143 HD13 ILE 24 HD13 ILE 24 -0.886 -3.697 4.727
144 H CYS 25 H CYS 25 4.007 -1.054 3.215
145 HA CYS 25 HA CYS 25 3.214 0.372 0.916
146 HB2 CYS 25 HB3 CYS 25 6.013 0.317 2.090
147 HB3 CYS 25 HB2 CYS 25 5.229 1.641 1.237
148 H ALA 26 H ALA 26 5.485 -2.306 1.386
149 HA ALA 26 HA ALA 26 6.534 -2.402 -1.270
150 HB1 ALA 26 HB1 ALA 26 6.293 -4.650 0.761
151 HB2 ALA 26 HB2 ALA 26 7.655 -3.538 0.605
152 HB3 ALA 26 HB3 ALA 26 7.291 -4.674 -0.695
153 H GLY 27 H GLY 27 3.514 -3.415 0.137
154 HA2 GLY 27 HA3 GLY 27 2.803 -5.379 -1.858
155 HA3 GLY 27 HA2 GLY 27 1.752 -4.690 -0.628
156 H TRP 28 H TRP 28 2.054 -1.971 -1.235
157 HA TRP 28 HA TRP 28 0.247 -1.767 -3.508
158 HB2 TRP 28 HB3 TRP 28 1.224 0.342 -1.534
159 HB3 TRP 28 HB2 TRP 28 -0.001 0.611 -2.771
160 HD1 TRP 28 HD1 TRP 28 0.199 -0.140 0.772
161 HE1 TRP 28 HE1 TRP 28 -1.996 -1.165 1.663
162 HE3 TRP 28 HE3 TRP 28 -1.986 -1.399 -3.690
163 HZ2 TRP 28 HZ2 TRP 28 -4.300 -2.398 0.611
164 HZ3 TRP 28 HZ3 TRP 28 -4.178 -2.521 -3.658
165 HH2 TRP 28 HH2 TRP 28 -5.311 -3.009 -1.549
166 H CYS 29 H CYS 29 3.253 -0.062 -2.530
167 HA CYS 29 HA CYS 29 3.635 1.208 -5.055
168 HB2 CYS 29 HB3 CYS 29 5.589 0.772 -2.766
169 HB3 CYS 29 HB2 CYS 29 5.845 1.868 -4.126
170 H GLY 30 H GLY 30 5.263 -1.546 -3.477
171 HA2 GLY 30 HA3 GLY 30 7.045 -2.047 -5.675
172 HA3 GLY 30 HA2 GLY 30 6.824 -3.048 -4.249
173 H GLY 31 H GLY 31 4.134 -3.657 -4.400
174 HA2 GLY 31 HA3 GLY 31 2.626 -5.111 -5.313
175 HA3 GLY 31 HA2 GLY 31 3.268 -4.706 -6.899
176 H SER 32 H SER 32 2.987 -6.953 -7.466
177 HA SER 32 HA SER 32 5.395 -8.477 -7.165
178 HB2 SER 32 HB3 SER 32 4.125 -9.116 -5.059
179 HB3 SER 32 HB2 SER 32 2.837 -9.767 -6.072
180 HG SER 32 HG SER 32 3.981 -11.507 -6.271
Start of MODEL 20
1 H1 SER 1 HT1 SER 1 -3.567 -2.784 8.324
2 H2 SER 1 HT2 SER 1 -5.089 -2.302 7.774
3 H3 SER 1 HT3 SER 1 -3.863 -1.159 7.968
4 HA SER 1 HA SER 1 -2.576 -2.174 6.239
5 HB2 SER 1 HB3 SER 1 -3.685 -3.977 4.848
6 HB3 SER 1 HB2 SER 1 -3.296 -4.487 6.490
7 HG SER 1 HG SER 1 -5.802 -3.920 5.343
8 H CYS 2 H CYS 2 -2.740 -1.226 4.186
9 HA CYS 2 HA CYS 2 -4.833 0.704 3.782
10 HB2 CYS 2 HB3 CYS 2 -2.748 -0.174 1.744
11 HB3 CYS 2 HB2 CYS 2 -3.649 1.298 1.772
12 H GLY 3 H GLY 3 -6.111 0.791 1.741
13 HA2 GLY 3 HA3 GLY 3 -7.450 -1.658 1.081
14 HA3 GLY 3 HA2 GLY 3 -7.677 -0.089 0.321
15 H SER 4 H SER 4 -5.519 0.590 -0.843
16 HA SER 4 HA SER 4 -4.015 -0.763 -2.555
17 HB2 SER 4 HB3 SER 4 -5.393 -1.304 -4.593
18 HB3 SER 4 HB2 SER 4 -5.844 -2.299 -3.211
19 HG SER 4 HG SER 4 -7.706 -1.228 -3.007
20 H GLU 5 H GLU 5 -6.062 1.774 -1.789
21 HA GLU 5 HA GLU 5 -5.926 3.392 -4.152
22 HB2 GLU 5 HB3 GLU 5 -7.739 3.600 -2.475
23 HB3 GLU 5 HB2 GLU 5 -6.579 4.145 -1.273
24 HG2 GLU 5 HG3 GLU 5 -6.141 6.179 -2.606
25 HG3 GLU 5 HG2 GLU 5 -7.276 5.629 -3.834
26 H CYS 6 H CYS 6 -3.789 2.829 -1.468
27 HA CYS 6 HA CYS 6 -2.025 5.045 -2.150
28 HB2 CYS 6 HB3 CYS 6 -1.986 2.929 0.021
29 HB3 CYS 6 HB2 CYS 6 -0.654 4.019 -0.276
30 H ALA 7 H ALA 7 -2.391 3.497 -4.271
31 HA ALA 7 HA ALA 7 0.344 2.469 -4.746
32 HB1 ALA 7 HB1 ALA 7 -1.313 0.647 -4.738
33 HB2 ALA 7 HB2 ALA 7 -0.574 0.851 -6.327
34 HB3 ALA 7 HB3 ALA 7 -2.206 1.455 -6.024
35 HA PRO 8 HA PRO 8 -1.244 5.400 -8.435
36 HB2 PRO 8 HB3 PRO 8 -0.660 7.964 -7.036
37 HB3 PRO 8 HB2 PRO 8 -2.094 7.499 -7.945
38 HG2 PRO 8 HG3 PRO 8 -2.091 7.814 -5.260
39 HG3 PRO 8 HG2 PRO 8 -3.170 6.658 -6.086
40 HD2 PRO 8 HD3 PRO 8 -0.598 6.112 -4.615
41 HD3 PRO 8 HD2 PRO 8 -2.106 5.188 -4.643
42 H GLU 9 H GLU 9 1.040 6.452 -5.960
43 HA GLU 9 HA GLU 9 2.794 7.657 -7.851
44 HB2 GLU 9 HB3 GLU 9 3.037 7.327 -4.828
45 HB3 GLU 9 HB2 GLU 9 3.991 8.397 -5.842
46 HG2 GLU 9 HG3 GLU 9 1.795 9.570 -6.460
47 HG3 GLU 9 HG2 GLU 9 1.034 8.583 -5.223
48 HA PRO 10 HA PRO 10 5.777 4.253 -8.041
49 HB2 PRO 10 HB3 PRO 10 8.146 5.704 -8.245
50 HB3 PRO 10 HB2 PRO 10 7.053 5.393 -9.609
51 HG2 PRO 10 HG3 PRO 10 7.259 7.846 -7.887
52 HG3 PRO 10 HG2 PRO 10 7.070 7.717 -9.652
53 HD2 PRO 10 HD3 PRO 10 4.968 8.275 -8.067
54 HD3 PRO 10 HD2 PRO 10 4.789 7.264 -9.518
55 H ASP 11 H ASP 11 6.215 6.937 -5.848
56 HA ASP 11 HA ASP 11 7.462 5.226 -3.793
57 HB2 ASP 11 HB3 ASP 11 8.187 7.324 -2.715
58 HB3 ASP 11 HB2 ASP 11 8.763 7.245 -4.374
59 H CYS 12 H CYS 12 5.068 4.482 -4.058
60 HA CYS 12 HA CYS 12 2.865 5.780 -2.912
61 HB2 CYS 12 HB3 CYS 12 1.855 3.615 -2.794
62 HB3 CYS 12 HB2 CYS 12 2.804 3.661 -4.264
63 H TRP 13 H TRP 13 5.612 4.475 -1.336
64 HA TRP 13 HA TRP 13 4.919 3.752 1.191
65 HB2 TRP 13 HB3 TRP 13 7.210 5.613 0.472
66 HB3 TRP 13 HB2 TRP 13 7.112 4.580 1.824
67 HD1 TRP 13 HD1 TRP 13 7.961 4.538 -1.838
68 HE1 TRP 13 HE1 TRP 13 9.008 2.262 -2.463
69 HE3 TRP 13 HE3 TRP 13 7.174 2.121 2.516
70 HZ2 TRP 13 HZ2 TRP 13 9.447 -0.245 -1.230
71 HZ3 TRP 13 HZ3 TRP 13 7.920 -0.228 2.757
72 HH2 TRP 13 HH2 TRP 13 9.038 -1.382 0.917
73 H GLY 14 H GLY 14 4.929 6.970 -0.210
74 HA2 GLY 14 HA3 GLY 14 4.807 8.518 2.204
75 HA3 GLY 14 HA2 GLY 14 4.396 9.079 0.591
76 H CYS 15 H CYS 15 2.376 7.049 0.173
77 HA CYS 15 HA CYS 15 0.077 8.366 1.379
78 HB2 CYS 15 HB3 CYS 15 0.171 7.546 -1.020
79 HB3 CYS 15 HB2 CYS 15 0.154 5.910 -0.431
80 H CYS 16 H CYS 16 1.668 5.292 1.392
81 HA CYS 16 HA CYS 16 -0.374 3.905 2.890
82 HB2 CYS 16 HB3 CYS 16 0.511 2.676 1.125
83 HB3 CYS 16 HB2 CYS 16 2.152 3.181 1.423
84 H LEU 17 H LEU 17 3.168 4.403 3.420
85 HA LEU 17 HA LEU 17 3.376 3.220 5.911
86 HB2 LEU 17 HB3 LEU 17 5.009 5.404 4.620
87 HB3 LEU 17 HB2 LEU 17 5.397 4.877 6.252
88 HG LEU 17 HG LEU 17 5.444 3.126 3.761
89 HD11 LEU 17 HD11 LEU 17 7.348 4.665 3.859
90 HD12 LEU 17 HD12 LEU 17 7.866 3.005 4.154
91 HD13 LEU 17 HD13 LEU 17 7.710 4.132 5.503
92 HD21 LEU 17 HD21 LEU 17 6.107 2.413 6.635
93 HD22 LEU 17 HD22 LEU 17 6.364 1.383 5.225
94 HD23 LEU 17 HD23 LEU 17 4.728 1.819 5.702
95 H VAL 18 H VAL 18 1.996 6.370 5.320
96 HA VAL 18 HA VAL 18 2.530 7.517 7.886
97 HB VAL 18 HB VAL 18 2.025 8.964 5.973
98 HG11 VAL 18 HG11 VAL 18 -0.209 9.150 4.981
99 HG12 VAL 18 HG12 VAL 18 -0.791 7.835 6.005
100 HG13 VAL 18 HG13 VAL 18 0.438 7.521 4.778
101 HG21 VAL 18 HG21 VAL 18 -0.131 9.255 8.108
102 HG22 VAL 18 HG22 VAL 18 0.413 10.527 7.007
103 HG23 VAL 18 HG23 VAL 18 1.520 9.876 8.215
104 H GLN 19 H GLN 19 0.210 5.201 6.786
105 HA GLN 19 HA GLN 19 -1.117 5.120 9.407
106 HB2 GLN 19 HB3 GLN 19 -3.348 4.880 8.095
107 HB3 GLN 19 HB2 GLN 19 -2.641 6.476 8.239
108 HG2 GLN 19 HG3 GLN 19 -3.278 6.412 5.993
109 HG3 GLN 19 HG2 GLN 19 -1.576 6.024 5.926
110 HE21 GLN 19 HE21 GLN 19 -1.681 4.990 4.000
111 HE22 GLN 19 HE22 GLN 19 -2.498 3.482 3.763
112 H CYS 20 H CYS 20 0.455 3.413 7.006
113 HA CYS 20 HA CYS 20 -0.605 0.800 7.932
114 HB2 CYS 20 HB3 CYS 20 0.321 1.427 5.092
115 HB3 CYS 20 HB2 CYS 20 -0.134 -0.158 5.678
116 H ALA 21 H ALA 21 1.025 -0.966 7.311
117 HA ALA 21 HA ALA 21 3.678 -0.318 8.322
118 HB1 ALA 21 HB1 ALA 21 2.435 -2.231 9.276
119 HB2 ALA 21 HB2 ALA 21 3.902 -2.791 8.474
120 HB3 ALA 21 HB3 ALA 21 2.338 -2.983 7.679
121 HA PRO 22 HA PRO 22 5.832 -0.526 4.309
122 HB2 PRO 22 HB3 PRO 22 8.062 -2.104 4.957
123 HB3 PRO 22 HB2 PRO 22 7.917 -0.370 5.308
124 HG2 PRO 22 HG3 PRO 22 7.392 -2.701 7.126
125 HG3 PRO 22 HG2 PRO 22 8.252 -1.178 7.462
126 HD2 PRO 22 HD3 PRO 22 5.734 -1.504 8.285
127 HD3 PRO 22 HD2 PRO 22 6.264 0.059 7.651
128 H SER 23 H SER 23 4.868 -3.474 5.931
129 HA SER 23 HA SER 23 5.240 -5.390 3.940
130 HB2 SER 23 HB3 SER 23 4.420 -5.919 6.209
131 HB3 SER 23 HB2 SER 23 2.903 -5.083 5.877
132 HG SER 23 HG SER 23 3.677 -7.138 4.139
133 H ILE 24 H ILE 24 2.674 -2.960 4.314
134 HA ILE 24 HA ILE 24 1.078 -3.922 2.108
135 HB ILE 24 HB ILE 24 0.876 -1.191 3.463
136 HG12 ILE 24 HG13 ILE 24 0.618 -2.724 5.295
137 HG13 ILE 24 HG12 ILE 24 -1.013 -2.214 4.820
138 HG21 ILE 24 HG21 ILE 24 -0.341 -1.329 1.370
139 HG22 ILE 24 HG22 ILE 24 -1.473 -1.268 2.718
140 HG23 ILE 24 HG23 ILE 24 -1.161 -2.800 1.898
141 HD11 ILE 24 HD11 ILE 24 -1.288 -4.365 3.624
142 HD12 ILE 24 HD12 ILE 24 -0.972 -4.574 5.345
143 HD13 ILE 24 HD13 ILE 24 0.314 -4.864 4.176
144 H CYS 25 H CYS 25 3.201 -1.161 2.740
145 HA CYS 25 HA CYS 25 2.804 0.230 0.323
146 HB2 CYS 25 HB3 CYS 25 5.308 0.407 2.003
147 HB3 CYS 25 HB2 CYS 25 4.522 1.682 1.089
148 H ALA 26 H ALA 26 5.177 -2.226 1.286
149 HA ALA 26 HA ALA 26 6.835 -2.105 -1.036
150 HB1 ALA 26 HB1 ALA 26 6.403 -4.427 0.877
151 HB2 ALA 26 HB2 ALA 26 7.603 -3.147 1.053
152 HB3 ALA 26 HB3 ALA 26 7.722 -4.280 -0.292
153 H GLY 27 H GLY 27 3.684 -3.393 -0.494
154 HA2 GLY 27 HA3 GLY 27 3.757 -5.453 -2.547
155 HA3 GLY 27 HA2 GLY 27 2.359 -4.921 -1.622
156 H TRP 28 H TRP 28 2.671 -2.135 -2.197
157 HA TRP 28 HA TRP 28 1.315 -2.123 -4.787
158 HB2 TRP 28 HB3 TRP 28 1.562 0.053 -2.672
159 HB3 TRP 28 HB2 TRP 28 0.529 0.117 -4.094
160 HD1 TRP 28 HD1 TRP 28 0.040 -0.288 -0.625
161 HE1 TRP 28 HE1 TRP 28 -1.972 -1.755 -0.026
162 HE3 TRP 28 HE3 TRP 28 -0.679 -2.639 -5.139
163 HZ2 TRP 28 HZ2 TRP 28 -3.618 -3.656 -1.238
164 HZ3 TRP 28 HZ3 TRP 28 -2.503 -4.284 -5.316
165 HH2 TRP 28 HH2 TRP 28 -3.943 -4.782 -3.404
166 H CYS 29 H CYS 29 4.087 -0.515 -3.208
167 HA CYS 29 HA CYS 29 4.840 1.125 -5.412
168 HB2 CYS 29 HB3 CYS 29 6.211 0.241 -2.885
169 HB3 CYS 29 HB2 CYS 29 7.155 1.063 -4.124
170 H GLY 30 H GLY 30 6.594 -1.667 -4.045
171 HA2 GLY 30 HA3 GLY 30 7.318 -2.881 -6.480
172 HA3 GLY 30 HA2 GLY 30 8.578 -1.770 -5.979
173 H GLY 31 H GLY 31 7.828 -4.903 -5.895
174 HA2 GLY 31 HA3 GLY 31 9.573 -6.127 -4.416
175 HA3 GLY 31 HA2 GLY 31 8.613 -5.454 -3.100
176 H SER 32 H SER 32 6.107 -5.631 -4.439
177 HA SER 32 HA SER 32 4.335 -6.906 -4.915
178 HB2 SER 32 HB3 SER 32 6.335 -9.074 -5.673
179 HB3 SER 32 HB2 SER 32 4.616 -9.079 -6.070
180 HG SER 32 HG SER 32 5.321 -6.841 -7.007