Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
510597 | 2l61 RC | 17294 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 5.797 -0.886 -11.797
2 HA2 GLY 1 HA2 GLY 1 4.207 -3.381 -12.082
3 HA3 GLY 1 HA3 GLY 1 5.868 -3.345 -11.464
4 H SER 2 H SER 2 5.843 -3.652 -9.259
5 HA SER 2 HA SER 2 3.915 -2.040 -7.688
6 HB2 SER 2 HB2 SER 2 4.644 -4.960 -7.495
7 HB3 SER 2 HB3 SER 2 4.195 -4.045 -6.038
8 HG SER 2 HG SER 2 2.471 -5.109 -7.517
9 H GLY 3 H GLY 3 4.707 -1.462 -5.613
10 HA2 GLY 3 HA2 GLY 3 7.020 -1.591 -4.348
11 HA3 GLY 3 HA3 GLY 3 7.533 -0.619 -5.724
12 H CYS 4 H CYS 4 5.751 -0.677 -2.821
13 HA CYS 4 HA CYS 4 4.082 1.640 -3.190
14 HB2 CYS 4 HB2 CYS 4 3.810 -0.280 -1.558
15 HB3 CYS 4 HB3 CYS 4 5.174 0.422 -0.678
16 H ASP 5 H ASP 5 4.280 3.389 -1.466
17 HA ASP 5 HA ASP 5 6.946 4.483 -1.032
18 HB2 ASP 5 HB2 ASP 5 4.757 6.280 -2.010
19 HB3 ASP 5 HB3 ASP 5 6.493 6.485 -2.064
20 H ASP 6 H ASP 6 6.658 6.306 0.542
21 HA ASP 6 HA ASP 6 4.852 5.426 2.664
22 HB2 ASP 6 HB2 ASP 6 5.977 6.745 4.087
23 HB3 ASP 6 HB3 ASP 6 7.234 6.558 2.876
24 H LYS 7 H LYS 7 4.822 7.859 0.239
25 HA LYS 7 HA LYS 7 2.904 9.713 0.957
26 HB2 LYS 7 HB2 LYS 7 3.293 8.429 -1.771
27 HB3 LYS 7 HB3 LYS 7 2.512 9.965 -1.470
28 HG2 LYS 7 HG2 LYS 7 5.468 9.394 -0.883
29 HG3 LYS 7 HG3 LYS 7 4.832 10.134 -2.350
30 HD2 LYS 7 HD2 LYS 7 3.751 11.904 -0.848
31 HD3 LYS 7 HD3 LYS 7 4.774 11.284 0.461
32 HE2 LYS 7 HE2 LYS 7 6.763 11.976 -0.608
33 HE3 LYS 7 HE3 LYS 7 6.005 12.020 -2.211
34 HZ1 LYS 7 HZ1 LYS 7 6.405 14.232 -1.266
35 HZ2 LYS 7 HZ2 LYS 7 5.395 13.926 -0.039
36 HZ3 LYS 7 HZ3 LYS 7 4.811 14.003 -1.565
37 H CYS 8 H CYS 8 2.430 6.407 0.255
38 HA CYS 8 HA CYS 8 -0.315 6.422 -0.541
39 HB2 CYS 8 HB2 CYS 8 0.772 4.517 -1.091
40 HB3 CYS 8 HB3 CYS 8 1.673 4.437 0.437
41 H GLY 9 H GLY 9 1.304 6.312 2.671
42 HA2 GLY 9 HA2 GLY 9 0.107 7.014 4.639
43 HA3 GLY 9 HA3 GLY 9 -1.388 6.383 3.981
44 H CYS 10 H CYS 10 1.441 4.355 3.587
45 HA CYS 10 HA CYS 10 1.047 2.784 5.996
46 HB2 CYS 10 HB2 CYS 10 0.570 0.762 4.992
47 HB3 CYS 10 HB3 CYS 10 -0.468 1.865 4.063
48 H ALA 11 H ALA 11 3.003 1.304 6.138
49 HA ALA 11 HA ALA 11 5.370 2.573 5.543
50 HB1 ALA 11 HB1 ALA 11 6.441 0.394 6.067
51 HB2 ALA 11 HB2 ALA 11 5.164 0.833 7.229
52 HB3 ALA 11 HB3 ALA 11 4.844 -0.394 5.972
53 H VAL 12 H VAL 12 7.038 2.259 4.113
54 HA VAL 12 HA VAL 12 6.375 1.852 1.373
55 HB VAL 12 HB VAL 12 9.031 2.240 2.771
56 HG11 VAL 12 HG11 VAL 12 8.370 2.186 -0.200
57 HG12 VAL 12 HG12 VAL 12 9.907 2.747 0.495
58 HG13 VAL 12 HG13 VAL 12 9.418 1.048 0.664
59 HG21 VAL 12 HG21 VAL 12 7.643 4.169 0.961
60 HG22 VAL 12 HG22 VAL 12 7.308 4.167 2.696
61 HG23 VAL 12 HG23 VAL 12 8.952 4.484 2.086
62 HA PRO 13 HA PRO 13 8.771 -2.272 1.463
63 HB2 PRO 13 HB2 PRO 13 9.692 -3.431 3.757
64 HB3 PRO 13 HB3 PRO 13 10.632 -2.219 2.834
65 HG2 PRO 13 HG2 PRO 13 8.888 -1.754 5.272
66 HG3 PRO 13 HG3 PRO 13 10.551 -1.184 4.991
67 HD2 PRO 13 HD2 PRO 13 8.433 0.417 4.519
68 HD3 PRO 13 HD3 PRO 13 9.859 0.431 3.460
69 H CYS 14 H CYS 14 6.647 -2.626 0.993
70 HA CYS 14 HA CYS 14 4.589 -3.200 2.888
71 HB2 CYS 14 HB2 CYS 14 4.975 -3.263 -0.069
72 HB3 CYS 14 HB3 CYS 14 3.541 -4.041 0.606
73 HA PRO 15 HA PRO 15 5.117 -7.503 3.609
74 HB2 PRO 15 HB2 PRO 15 2.548 -8.396 3.959
75 HB3 PRO 15 HB3 PRO 15 3.356 -7.304 5.114
76 HG2 PRO 15 HG2 PRO 15 1.464 -6.582 2.862
77 HG3 PRO 15 HG3 PRO 15 1.405 -6.034 4.564
78 HD2 PRO 15 HD2 PRO 15 2.508 -4.537 2.590
79 HD3 PRO 15 HD3 PRO 15 3.200 -4.559 4.230
80 H GLY 16 H GLY 16 3.476 -6.434 0.714
81 HA2 GLY 16 HA2 GLY 16 4.369 -8.425 -0.909
82 HA3 GLY 16 HA3 GLY 16 2.795 -9.021 -0.339
83 H GLY 17 H GLY 17 0.866 -7.826 -0.842
84 HA2 GLY 17 HA2 GLY 17 0.998 -5.383 -2.410
85 HA3 GLY 17 HA3 GLY 17 0.682 -6.816 -3.399
86 H THR 18 H THR 18 -1.301 -7.757 -3.353
87 HA THR 18 HA THR 18 -3.566 -6.372 -2.947
88 HB THR 18 HB THR 18 -4.503 -8.842 -3.166
89 HG1 THR 18 HG1 THR 18 -2.549 -9.941 -4.236
90 HG21 THR 18 HG21 THR 18 -2.651 -7.413 -5.139
91 HG22 THR 18 HG22 THR 18 -4.408 -7.264 -5.002
92 HG23 THR 18 HG23 THR 18 -3.688 -8.775 -5.582
93 H GLY 19 H GLY 19 -2.220 -8.635 -0.449
94 HA2 GLY 19 HA2 GLY 19 -4.579 -8.599 1.157
95 HA3 GLY 19 HA3 GLY 19 -2.948 -8.981 1.715
96 H CYS 20 H CYS 20 -1.915 -6.339 0.895
97 HA CYS 20 HA CYS 20 -2.215 -4.910 3.325
98 HB2 CYS 20 HB2 CYS 20 -0.467 -4.959 1.245
99 HB3 CYS 20 HB3 CYS 20 -1.372 -3.532 0.799
100 H ARG 21 H ARG 21 -3.320 -2.757 3.742
101 HA ARG 21 HA ARG 21 -5.921 -2.611 2.447
102 HB2 ARG 21 HB2 ARG 21 -4.527 -0.745 4.440
103 HB3 ARG 21 HB3 ARG 21 -6.217 -0.630 3.985
104 HG2 ARG 21 HG2 ARG 21 -5.086 -3.134 5.271
105 HG3 ARG 21 HG3 ARG 21 -5.670 -1.775 6.207
106 HD2 ARG 21 HD2 ARG 21 -7.427 -3.081 4.120
107 HD3 ARG 21 HD3 ARG 21 -7.286 -3.741 5.743
108 HE ARG 21 HE ARG 21 -7.919 -1.214 6.364
109 HH11 ARG 21 HH11 ARG 21 -9.491 -3.631 4.242
110 HH12 ARG 21 HH12 ARG 21 -11.041 -2.921 4.442
111 HH21 ARG 21 HH21 ARG 21 -9.988 -0.392 6.675
112 HH22 ARG 21 HH22 ARG 21 -11.338 -1.046 5.767
113 H CYS 22 H CYS 22 -3.213 -1.848 1.090
114 HA CYS 22 HA CYS 22 -3.007 0.802 0.298
115 HB2 CYS 22 HB2 CYS 22 -2.403 -1.858 -1.053
116 HB3 CYS 22 HB3 CYS 22 -2.151 -0.346 -1.907
117 H THR 23 H THR 23 -5.298 -1.703 -0.935
118 HA THR 23 HA THR 23 -6.307 0.406 -2.710
119 HB THR 23 HB THR 23 -6.869 -1.543 -4.286
120 HG1 THR 23 HG1 THR 23 -6.429 -3.348 -3.247
121 HG21 THR 23 HG21 THR 23 -3.934 -0.921 -3.757
122 HG22 THR 23 HG22 THR 23 -5.064 0.162 -4.571
123 HG23 THR 23 HG23 THR 23 -4.676 -1.405 -5.285
124 H SER 24 H SER 24 -7.154 -0.520 0.124
125 HA SER 24 HA SER 24 -9.870 -1.426 -0.467
126 HB2 SER 24 HB2 SER 24 -8.325 -1.998 1.589
127 HB3 SER 24 HB3 SER 24 -8.973 -0.487 2.243
128 HG SER 24 HG SER 24 -10.368 -2.812 1.345
129 H ALA 25 H ALA 25 -8.264 1.547 -0.504
130 HA ALA 25 HA ALA 25 -10.597 3.218 0.243
131 HB1 ALA 25 HB1 ALA 25 -8.306 3.831 1.070
132 HB2 ALA 25 HB2 ALA 25 -7.749 3.958 -0.603
133 HB3 ALA 25 HB3 ALA 25 -8.982 5.067 0.011
134 H ARG 26 H ARG 26 -10.426 5.295 -1.603
135 HA ARG 26 HA ARG 26 -10.132 4.300 -4.263
136 HB2 ARG 26 HB2 ARG 26 -12.339 4.540 -5.044
137 HB3 ARG 26 HB3 ARG 26 -12.410 3.395 -3.683
138 HG2 ARG 26 HG2 ARG 26 -13.362 5.133 -2.235
139 HG3 ARG 26 HG3 ARG 26 -13.171 6.328 -3.517
140 HD2 ARG 26 HD2 ARG 26 -15.428 5.717 -3.521
141 HD3 ARG 26 HD3 ARG 26 -14.714 5.057 -4.968
142 HE ARG 26 HE ARG 26 -14.680 2.870 -3.974
143 HH11 ARG 26 HH11 ARG 26 -16.981 5.256 -2.644
144 HH12 ARG 26 HH12 ARG 26 -17.831 4.140 -1.665
145 HH21 ARG 26 HH21 ARG 26 -15.944 1.294 -2.748
146 HH22 ARG 26 HH22 ARG 26 -17.249 1.855 -1.745
Start of MODEL 2
1 H1 GLY 1 H GLY 1 9.730 1.780 -12.501
2 HA2 GLY 1 HA2 GLY 1 10.745 0.511 -10.727
3 HA3 GLY 1 HA3 GLY 1 9.594 1.666 -10.015
4 H SER 2 H SER 2 9.795 -0.142 -8.241
5 HA SER 2 HA SER 2 7.482 -1.930 -8.495
6 HB2 SER 2 HB2 SER 2 10.287 -2.943 -7.828
7 HB3 SER 2 HB3 SER 2 8.788 -3.875 -7.624
8 HG SER 2 HG SER 2 10.057 -3.008 -9.974
9 H GLY 3 H GLY 3 7.387 -3.178 -6.161
10 HA2 GLY 3 HA2 GLY 3 7.059 -2.949 -3.926
11 HA3 GLY 3 HA3 GLY 3 8.301 -1.661 -3.905
12 H CYS 4 H CYS 4 7.080 -0.316 -2.465
13 HA CYS 4 HA CYS 4 4.846 1.111 -3.741
14 HB2 CYS 4 HB2 CYS 4 4.124 -0.711 -2.129
15 HB3 CYS 4 HB3 CYS 4 4.788 0.238 -0.820
16 H ASP 5 H ASP 5 4.405 3.056 -1.634
17 HA ASP 5 HA ASP 5 6.947 4.229 -0.903
18 HB2 ASP 5 HB2 ASP 5 4.886 5.401 -2.825
19 HB3 ASP 5 HB3 ASP 5 5.726 6.438 -1.690
20 H ASP 6 H ASP 6 6.445 5.894 0.651
21 HA ASP 6 HA ASP 6 4.366 5.175 2.507
22 HB2 ASP 6 HB2 ASP 6 5.707 6.283 3.898
23 HB3 ASP 6 HB3 ASP 6 6.736 6.778 2.557
24 H LYS 7 H LYS 7 4.735 7.577 -0.009
25 HA LYS 7 HA LYS 7 2.756 9.436 0.361
26 HB2 LYS 7 HB2 LYS 7 3.299 8.024 -2.280
27 HB3 LYS 7 HB3 LYS 7 2.608 9.624 -2.101
28 HG2 LYS 7 HG2 LYS 7 5.463 8.922 -1.264
29 HG3 LYS 7 HG3 LYS 7 4.990 9.501 -2.853
30 HD2 LYS 7 HD2 LYS 7 4.038 11.563 -1.822
31 HD3 LYS 7 HD3 LYS 7 4.688 11.039 -0.252
32 HE2 LYS 7 HE2 LYS 7 6.943 11.212 -0.998
33 HE3 LYS 7 HE3 LYS 7 6.476 11.187 -2.709
34 HZ1 LYS 7 HZ1 LYS 7 7.120 13.405 -1.945
35 HZ2 LYS 7 HZ2 LYS 7 5.942 13.401 -0.830
36 HZ3 LYS 7 HZ3 LYS 7 5.528 13.412 -2.416
37 H CYS 8 H CYS 8 2.367 6.158 -0.466
38 HA CYS 8 HA CYS 8 -0.297 6.052 -1.489
39 HB2 CYS 8 HB2 CYS 8 1.414 4.365 -1.853
40 HB3 CYS 8 HB3 CYS 8 1.463 4.023 -0.110
41 H GLY 9 H GLY 9 1.012 5.980 1.842
42 HA2 GLY 9 HA2 GLY 9 -0.298 6.577 3.718
43 HA3 GLY 9 HA3 GLY 9 -1.753 5.911 2.956
44 H CYS 10 H CYS 10 1.070 3.946 2.537
45 HA CYS 10 HA CYS 10 0.520 2.263 4.894
46 HB2 CYS 10 HB2 CYS 10 0.365 0.286 3.657
47 HB3 CYS 10 HB3 CYS 10 -0.744 1.403 2.901
48 H ALA 11 H ALA 11 2.354 1.193 5.581
49 HA ALA 11 HA ALA 11 4.803 2.288 5.303
50 HB1 ALA 11 HB1 ALA 11 5.676 0.252 6.333
51 HB2 ALA 11 HB2 ALA 11 4.070 0.576 6.988
52 HB3 ALA 11 HB3 ALA 11 4.284 -0.682 5.748
53 H VAL 12 H VAL 12 6.532 2.134 4.021
54 HA VAL 12 HA VAL 12 6.331 1.362 1.345
55 HB VAL 12 HB VAL 12 8.921 1.705 2.888
56 HG11 VAL 12 HG11 VAL 12 9.783 2.459 0.720
57 HG12 VAL 12 HG12 VAL 12 9.075 0.836 0.553
58 HG13 VAL 12 HG13 VAL 12 8.178 2.259 -0.017
59 HG21 VAL 12 HG21 VAL 12 7.639 3.661 3.458
60 HG22 VAL 12 HG22 VAL 12 8.696 4.147 2.126
61 HG23 VAL 12 HG23 VAL 12 6.984 3.773 1.821
62 HA PRO 13 HA PRO 13 8.551 -2.748 2.377
63 HB2 PRO 13 HB2 PRO 13 8.829 -3.690 4.928
64 HB3 PRO 13 HB3 PRO 13 9.982 -2.537 4.200
65 HG2 PRO 13 HG2 PRO 13 7.607 -1.915 5.992
66 HG3 PRO 13 HG3 PRO 13 9.301 -1.372 6.181
67 HD2 PRO 13 HD2 PRO 13 7.476 0.199 5.011
68 HD3 PRO 13 HD3 PRO 13 9.137 0.119 4.367
69 H CYS 14 H CYS 14 6.455 -2.771 1.442
70 HA CYS 14 HA CYS 14 3.982 -3.346 2.670
71 HB2 CYS 14 HB2 CYS 14 5.223 -3.380 -0.014
72 HB3 CYS 14 HB3 CYS 14 3.924 -4.508 0.143
73 HA PRO 15 HA PRO 15 5.139 -7.577 3.890
74 HB2 PRO 15 HB2 PRO 15 2.916 -8.314 5.268
75 HB3 PRO 15 HB3 PRO 15 4.047 -7.072 5.860
76 HG2 PRO 15 HG2 PRO 15 1.475 -6.610 4.311
77 HG3 PRO 15 HG3 PRO 15 1.954 -5.895 5.874
78 HD2 PRO 15 HD2 PRO 15 2.377 -4.588 3.539
79 HD3 PRO 15 HD3 PRO 15 3.587 -4.523 4.849
80 H GLY 16 H GLY 16 3.790 -6.947 1.165
81 HA2 GLY 16 HA2 GLY 16 3.787 -9.190 -0.150
82 HA3 GLY 16 HA3 GLY 16 2.166 -9.300 0.575
83 H GLY 17 H GLY 17 0.941 -8.810 -1.222
84 HA2 GLY 17 HA2 GLY 17 1.246 -6.118 -2.491
85 HA3 GLY 17 HA3 GLY 17 0.823 -7.578 -3.393
86 H THR 18 H THR 18 -1.259 -8.467 -3.197
87 HA THR 18 HA THR 18 -3.361 -6.779 -2.531
88 HB THR 18 HB THR 18 -4.655 -8.880 -2.968
89 HG1 THR 18 HG1 THR 18 -3.167 -10.574 -3.872
90 HG21 THR 18 HG21 THR 18 -2.408 -8.326 -5.006
91 HG22 THR 18 HG22 THR 18 -3.865 -7.331 -4.827
92 HG23 THR 18 HG23 THR 18 -3.998 -9.013 -5.355
93 H GLY 19 H GLY 19 -1.598 -8.856 -0.329
94 HA2 GLY 19 HA2 GLY 19 -3.716 -9.482 1.499
95 HA3 GLY 19 HA3 GLY 19 -1.998 -9.385 1.882
96 H CYS 20 H CYS 20 -1.626 -6.709 1.051
97 HA CYS 20 HA CYS 20 -2.351 -5.247 3.451
98 HB2 CYS 20 HB2 CYS 20 -0.231 -4.994 2.436
99 HB3 CYS 20 HB3 CYS 20 -0.918 -4.697 0.849
100 H ARG 21 H ARG 21 -3.619 -3.170 3.496
101 HA ARG 21 HA ARG 21 -5.965 -3.312 1.742
102 HB2 ARG 21 HB2 ARG 21 -6.908 -1.632 3.186
103 HB3 ARG 21 HB3 ARG 21 -6.285 -2.995 4.092
104 HG2 ARG 21 HG2 ARG 21 -4.379 -1.583 4.824
105 HG3 ARG 21 HG3 ARG 21 -5.048 -0.233 3.893
106 HD2 ARG 21 HD2 ARG 21 -7.137 -0.305 5.208
107 HD3 ARG 21 HD3 ARG 21 -6.466 -1.594 6.205
108 HE ARG 21 HE ARG 21 -5.951 1.229 6.381
109 HH11 ARG 21 HH11 ARG 21 -4.653 -1.948 7.289
110 HH12 ARG 21 HH12 ARG 21 -3.303 -1.294 8.186
111 HH21 ARG 21 HH21 ARG 21 -4.180 2.101 7.598
112 HH22 ARG 21 HH22 ARG 21 -3.056 1.065 8.375
113 H CYS 22 H CYS 22 -4.042 -2.959 0.085
114 HA CYS 22 HA CYS 22 -3.386 -0.164 -0.435
115 HB2 CYS 22 HB2 CYS 22 -2.612 -2.787 -1.583
116 HB3 CYS 22 HB3 CYS 22 -2.709 -1.468 -2.739
117 H THR 23 H THR 23 -5.213 -2.515 -2.530
118 HA THR 23 HA THR 23 -6.278 -0.312 -4.026
119 HB THR 23 HB THR 23 -7.509 -2.243 -5.135
120 HG1 THR 23 HG1 THR 23 -7.405 -3.628 -3.255
121 HG21 THR 23 HG21 THR 23 -5.442 -3.234 -6.114
122 HG22 THR 23 HG22 THR 23 -4.463 -2.452 -4.868
123 HG23 THR 23 HG23 THR 23 -5.364 -1.468 -6.022
124 H SER 24 H SER 24 -7.058 0.596 -1.787
125 HA SER 24 HA SER 24 -9.656 -0.474 -0.940
126 HB2 SER 24 HB2 SER 24 -7.596 0.639 0.437
127 HB3 SER 24 HB3 SER 24 -8.533 2.105 0.120
128 HG SER 24 HG SER 24 -10.337 1.009 1.108
129 H ALA 25 H ALA 25 -11.552 0.584 -1.151
130 HA ALA 25 HA ALA 25 -11.840 3.188 -2.417
131 HB1 ALA 25 HB1 ALA 25 -12.785 0.570 -3.667
132 HB2 ALA 25 HB2 ALA 25 -13.451 2.157 -4.106
133 HB3 ALA 25 HB3 ALA 25 -11.731 1.796 -4.400
134 H ARG 26 H ARG 26 -14.142 3.850 -2.254
135 HA ARG 26 HA ARG 26 -15.257 3.064 0.332
136 HB2 ARG 26 HB2 ARG 26 -15.072 5.468 -0.673
137 HB3 ARG 26 HB3 ARG 26 -16.417 4.995 -1.729
138 HG2 ARG 26 HG2 ARG 26 -17.735 4.444 0.387
139 HG3 ARG 26 HG3 ARG 26 -16.382 5.079 1.321
140 HD2 ARG 26 HD2 ARG 26 -18.106 6.773 1.127
141 HD3 ARG 26 HD3 ARG 26 -16.669 7.283 0.223
142 HE ARG 26 HE ARG 26 -18.767 5.878 -1.308
143 HH11 ARG 26 HH11 ARG 26 -17.413 9.019 -0.409
144 HH12 ARG 26 HH12 ARG 26 -18.232 9.882 -1.646
145 HH21 ARG 26 HH21 ARG 26 -19.873 7.066 -3.038
146 HH22 ARG 26 HH22 ARG 26 -19.572 8.756 -3.151
Start of MODEL 3
1 H1 GLY 1 H GLY 1 3.164 1.371 -12.451
2 HA2 GLY 1 HA2 GLY 1 5.266 0.286 -13.210
3 HA3 GLY 1 HA3 GLY 1 6.066 1.168 -11.890
4 H SER 2 H SER 2 6.346 -0.030 -10.061
5 HA SER 2 HA SER 2 4.217 -1.674 -9.001
6 HB2 SER 2 HB2 SER 2 5.824 -3.623 -8.722
7 HB3 SER 2 HB3 SER 2 5.208 -3.342 -10.349
8 HG SER 2 HG SER 2 7.772 -3.198 -9.383
9 H GLY 3 H GLY 3 5.215 -2.549 -6.728
10 HA2 GLY 3 HA2 GLY 3 6.481 -2.040 -4.822
11 HA3 GLY 3 HA3 GLY 3 7.101 -0.566 -5.606
12 H CYS 4 H CYS 4 6.396 0.378 -3.385
13 HA CYS 4 HA CYS 4 3.777 1.590 -3.697
14 HB2 CYS 4 HB2 CYS 4 3.833 -0.750 -2.355
15 HB3 CYS 4 HB3 CYS 4 4.277 0.304 -1.035
16 H ASP 5 H ASP 5 3.427 3.300 -1.704
17 HA ASP 5 HA ASP 5 6.096 4.273 -0.828
18 HB2 ASP 5 HB2 ASP 5 3.793 5.975 -1.837
19 HB3 ASP 5 HB3 ASP 5 5.426 6.500 -1.445
20 H ASP 6 H ASP 6 5.782 5.959 0.911
21 HA ASP 6 HA ASP 6 3.909 5.043 2.938
22 HB2 ASP 6 HB2 ASP 6 5.008 6.562 4.386
23 HB3 ASP 6 HB3 ASP 6 6.293 5.851 3.402
24 H LYS 7 H LYS 7 4.185 7.521 0.491
25 HA LYS 7 HA LYS 7 2.447 9.531 1.337
26 HB2 LYS 7 HB2 LYS 7 2.737 8.378 -1.469
27 HB3 LYS 7 HB3 LYS 7 2.027 9.951 -1.088
28 HG2 LYS 7 HG2 LYS 7 4.153 10.817 -0.296
29 HG3 LYS 7 HG3 LYS 7 4.886 9.217 -0.340
30 HD2 LYS 7 HD2 LYS 7 5.701 10.329 -2.255
31 HD3 LYS 7 HD3 LYS 7 4.565 9.126 -2.814
32 HE2 LYS 7 HE2 LYS 7 4.263 11.142 -4.091
33 HE3 LYS 7 HE3 LYS 7 2.820 10.898 -3.097
34 HZ1 LYS 7 HZ1 LYS 7 3.615 12.589 -1.597
35 HZ2 LYS 7 HZ2 LYS 7 3.617 13.187 -3.099
36 HZ3 LYS 7 HZ3 LYS 7 5.052 12.726 -2.416
37 H CYS 8 H CYS 8 1.774 6.407 0.007
38 HA CYS 8 HA CYS 8 -0.964 6.566 -0.539
39 HB2 CYS 8 HB2 CYS 8 -0.285 4.700 -1.420
40 HB3 CYS 8 HB3 CYS 8 1.061 4.541 -0.293
41 H GLY 9 H GLY 9 0.809 5.812 2.528
42 HA2 GLY 9 HA2 GLY 9 -0.320 6.552 4.573
43 HA3 GLY 9 HA3 GLY 9 -1.788 5.766 4.028
44 H CYS 10 H CYS 10 1.230 3.951 3.446
45 HA CYS 10 HA CYS 10 1.010 2.472 5.934
46 HB2 CYS 10 HB2 CYS 10 0.730 0.371 4.817
47 HB3 CYS 10 HB3 CYS 10 -0.542 1.434 4.221
48 H ALA 11 H ALA 11 2.914 1.030 6.161
49 HA ALA 11 HA ALA 11 5.333 2.134 5.613
50 HB1 ALA 11 HB1 ALA 11 4.782 -0.853 5.859
51 HB2 ALA 11 HB2 ALA 11 6.340 -0.057 6.122
52 HB3 ALA 11 HB3 ALA 11 4.985 0.288 7.210
53 H VAL 12 H VAL 12 6.923 2.016 4.087
54 HA VAL 12 HA VAL 12 6.152 1.802 1.405
55 HB VAL 12 HB VAL 12 8.891 2.039 2.663
56 HG11 VAL 12 HG11 VAL 12 9.613 2.794 0.409
57 HG12 VAL 12 HG12 VAL 12 9.101 1.095 0.376
58 HG13 VAL 12 HG13 VAL 12 8.017 2.363 -0.238
59 HG21 VAL 12 HG21 VAL 12 7.294 3.894 3.084
60 HG22 VAL 12 HG22 VAL 12 8.628 4.373 2.025
61 HG23 VAL 12 HG23 VAL 12 7.028 4.038 1.341
62 HA PRO 13 HA PRO 13 8.305 -2.311 0.584
63 HB2 PRO 13 HB2 PRO 13 9.754 -3.716 2.379
64 HB3 PRO 13 HB3 PRO 13 10.394 -2.254 1.596
65 HG2 PRO 13 HG2 PRO 13 9.006 -2.403 4.309
66 HG3 PRO 13 HG3 PRO 13 10.631 -1.737 3.950
67 HD2 PRO 13 HD2 PRO 13 8.474 -0.112 4.008
68 HD3 PRO 13 HD3 PRO 13 9.738 0.079 2.751
69 H CYS 14 H CYS 14 5.963 -2.352 0.737
70 HA CYS 14 HA CYS 14 4.268 -3.480 2.575
71 HB2 CYS 14 HB2 CYS 14 4.455 -3.390 -0.438
72 HB3 CYS 14 HB3 CYS 14 3.081 -4.197 0.303
73 HA PRO 15 HA PRO 15 5.596 -7.756 2.826
74 HB2 PRO 15 HB2 PRO 15 3.511 -8.922 4.183
75 HB3 PRO 15 HB3 PRO 15 4.670 -7.788 4.935
76 HG2 PRO 15 HG2 PRO 15 1.933 -7.160 3.776
77 HG3 PRO 15 HG3 PRO 15 2.591 -6.703 5.380
78 HD2 PRO 15 HD2 PRO 15 2.663 -4.972 3.299
79 HD3 PRO 15 HD3 PRO 15 4.038 -5.089 4.439
80 H GLY 16 H GLY 16 3.348 -6.824 0.602
81 HA2 GLY 16 HA2 GLY 16 3.555 -9.070 -1.030
82 HA3 GLY 16 HA3 GLY 16 1.995 -9.174 -0.165
83 H GLY 17 H GLY 17 0.384 -7.674 -0.563
84 HA2 GLY 17 HA2 GLY 17 0.776 -5.114 -1.749
85 HA3 GLY 17 HA3 GLY 17 0.496 -6.274 -3.047
86 H THR 18 H THR 18 -1.491 -7.981 -1.590
87 HA THR 18 HA THR 18 -3.741 -6.079 -1.755
88 HB THR 18 HB THR 18 -4.980 -8.164 -2.225
89 HG1 THR 18 HG1 THR 18 -3.577 -9.999 -2.767
90 HG21 THR 18 HG21 THR 18 -2.535 -7.881 -4.058
91 HG22 THR 18 HG22 THR 18 -3.780 -6.626 -3.964
92 HG23 THR 18 HG23 THR 18 -4.215 -8.231 -4.511
93 H GLY 19 H GLY 19 -2.394 -8.485 0.579
94 HA2 GLY 19 HA2 GLY 19 -4.712 -8.506 2.280
95 HA3 GLY 19 HA3 GLY 19 -3.060 -8.936 2.750
96 H CYS 20 H CYS 20 -1.879 -6.505 1.973
97 HA CYS 20 HA CYS 20 -2.320 -4.852 4.344
98 HB2 CYS 20 HB2 CYS 20 -0.141 -5.197 3.636
99 HB3 CYS 20 HB3 CYS 20 -0.447 -4.791 1.972
100 H ARG 21 H ARG 21 -3.631 -3.033 4.449
101 HA ARG 21 HA ARG 21 -5.846 -2.748 2.713
102 HB2 ARG 21 HB2 ARG 21 -5.073 -1.282 5.262
103 HB3 ARG 21 HB3 ARG 21 -6.670 -1.297 4.505
104 HG2 ARG 21 HG2 ARG 21 -6.872 -3.733 4.889
105 HG3 ARG 21 HG3 ARG 21 -5.239 -3.790 5.544
106 HD2 ARG 21 HD2 ARG 21 -6.583 -3.838 7.410
107 HD3 ARG 21 HD3 ARG 21 -5.932 -2.196 7.356
108 HE ARG 21 HE ARG 21 -8.538 -2.449 6.078
109 HH11 ARG 21 HH11 ARG 21 -7.086 -2.598 9.332
110 HH12 ARG 21 HH12 ARG 21 -8.558 -2.025 10.080
111 HH21 ARG 21 HH21 ARG 21 -10.384 -1.545 7.159
112 HH22 ARG 21 HH22 ARG 21 -10.379 -1.493 8.897
113 H CYS 22 H CYS 22 -4.062 -2.139 1.126
114 HA CYS 22 HA CYS 22 -3.289 0.632 1.085
115 HB2 CYS 22 HB2 CYS 22 -3.061 -1.672 -0.775
116 HB3 CYS 22 HB3 CYS 22 -3.016 -0.077 -1.548
117 H THR 23 H THR 23 -5.879 -1.051 -0.828
118 HA THR 23 HA THR 23 -6.987 1.640 -1.337
119 HB THR 23 HB THR 23 -5.644 1.008 -3.238
120 HG1 THR 23 HG1 THR 23 -7.517 2.196 -3.579
121 HG21 THR 23 HG21 THR 23 -6.107 -0.825 -4.717
122 HG22 THR 23 HG22 THR 23 -7.453 -1.387 -3.714
123 HG23 THR 23 HG23 THR 23 -5.782 -1.482 -3.115
124 H SER 24 H SER 24 -7.779 0.651 0.757
125 HA SER 24 HA SER 24 -9.846 -1.361 0.493
126 HB2 SER 24 HB2 SER 24 -8.187 -0.570 2.521
127 HB3 SER 24 HB3 SER 24 -9.631 0.332 2.951
128 HG SER 24 HG SER 24 -9.904 -2.403 2.249
129 H ALA 25 H ALA 25 -10.134 2.051 1.803
130 HA ALA 25 HA ALA 25 -12.713 2.302 0.382
131 HB1 ALA 25 HB1 ALA 25 -12.603 4.642 1.342
132 HB2 ALA 25 HB2 ALA 25 -12.575 3.357 2.560
133 HB3 ALA 25 HB3 ALA 25 -11.071 4.206 2.123
134 H ARG 26 H ARG 26 -12.351 2.383 -1.826
135 HA ARG 26 HA ARG 26 -9.884 3.072 -2.976
136 HB2 ARG 26 HB2 ARG 26 -11.334 1.648 -4.177
137 HB3 ARG 26 HB3 ARG 26 -12.629 2.841 -4.158
138 HG2 ARG 26 HG2 ARG 26 -11.602 2.681 -6.358
139 HG3 ARG 26 HG3 ARG 26 -11.455 4.294 -5.674
140 HD2 ARG 26 HD2 ARG 26 -9.057 3.553 -4.956
141 HD3 ARG 26 HD3 ARG 26 -9.329 2.159 -6.001
142 HE ARG 26 HE ARG 26 -9.410 3.538 -7.877
143 HH11 ARG 26 HH11 ARG 26 -9.076 5.647 -4.965
144 HH12 ARG 26 HH12 ARG 26 -8.643 7.019 -5.904
145 HH21 ARG 26 HH21 ARG 26 -8.916 5.430 -9.039
146 HH22 ARG 26 HH22 ARG 26 -8.463 6.882 -8.231
Start of MODEL 4
1 H1 GLY 1 H GLY 1 11.645 -2.718 -11.433
2 HA2 GLY 1 HA2 GLY 1 9.351 -4.377 -10.554
3 HA3 GLY 1 HA3 GLY 1 10.994 -4.530 -9.883
4 H SER 2 H SER 2 8.152 -3.464 -8.876
5 HA SER 2 HA SER 2 9.226 -1.448 -7.112
6 HB2 SER 2 HB2 SER 2 7.410 0.220 -7.796
7 HB3 SER 2 HB3 SER 2 8.809 0.081 -8.862
8 HG SER 2 HG SER 2 6.786 0.167 -9.919
9 H GLY 3 H GLY 3 7.491 -0.787 -5.539
10 HA2 GLY 3 HA2 GLY 3 5.263 -2.757 -5.249
11 HA3 GLY 3 HA3 GLY 3 6.421 -2.458 -3.930
12 H CYS 4 H CYS 4 6.413 -0.455 -2.851
13 HA CYS 4 HA CYS 4 4.540 1.626 -3.701
14 HB2 CYS 4 HB2 CYS 4 3.510 -0.116 -2.153
15 HB3 CYS 4 HB3 CYS 4 4.558 0.472 -0.893
16 H ASP 5 H ASP 5 4.760 3.467 -1.894
17 HA ASP 5 HA ASP 5 7.610 3.892 -1.219
18 HB2 ASP 5 HB2 ASP 5 5.570 5.771 -2.516
19 HB3 ASP 5 HB3 ASP 5 7.116 6.304 -1.881
20 H ASP 6 H ASP 6 7.303 6.194 -0.051
21 HA ASP 6 HA ASP 6 6.126 5.770 2.558
22 HB2 ASP 6 HB2 ASP 6 7.561 7.754 3.031
23 HB3 ASP 6 HB3 ASP 6 8.491 6.466 2.249
24 H LYS 7 H LYS 7 5.823 7.883 -0.320
25 HA LYS 7 HA LYS 7 4.152 9.867 0.876
26 HB2 LYS 7 HB2 LYS 7 4.293 8.954 -2.045
27 HB3 LYS 7 HB3 LYS 7 3.533 10.444 -1.477
28 HG2 LYS 7 HG2 LYS 7 6.490 9.762 -1.351
29 HG3 LYS 7 HG3 LYS 7 5.690 10.955 -2.382
30 HD2 LYS 7 HD2 LYS 7 4.937 12.170 -0.266
31 HD3 LYS 7 HD3 LYS 7 5.933 11.037 0.668
32 HE2 LYS 7 HE2 LYS 7 7.362 12.828 0.378
33 HE3 LYS 7 HE3 LYS 7 7.862 11.660 -0.851
34 HZ1 LYS 7 HZ1 LYS 7 6.127 14.030 -1.311
35 HZ2 LYS 7 HZ2 LYS 7 6.551 12.969 -2.481
36 HZ3 LYS 7 HZ3 LYS 7 7.691 13.875 -1.758
37 H CYS 8 H CYS 8 3.408 6.670 -0.091
38 HA CYS 8 HA CYS 8 0.665 7.081 -0.783
39 HB2 CYS 8 HB2 CYS 8 1.444 5.083 -1.509
40 HB3 CYS 8 HB3 CYS 8 2.382 4.767 -0.051
41 H GLY 9 H GLY 9 2.197 6.323 2.384
42 HA2 GLY 9 HA2 GLY 9 1.290 7.364 4.375
43 HA3 GLY 9 HA3 GLY 9 -0.334 7.035 3.803
44 H CYS 10 H CYS 10 2.103 4.454 3.403
45 HA CYS 10 HA CYS 10 1.350 3.115 5.893
46 HB2 CYS 10 HB2 CYS 10 0.520 1.179 4.905
47 HB3 CYS 10 HB3 CYS 10 -0.296 2.496 4.037
48 H ALA 11 H ALA 11 2.862 1.297 6.334
49 HA ALA 11 HA ALA 11 5.483 1.662 6.042
50 HB1 ALA 11 HB1 ALA 11 4.275 -0.246 7.272
51 HB2 ALA 11 HB2 ALA 11 4.449 -1.162 5.757
52 HB3 ALA 11 HB3 ALA 11 5.884 -0.588 6.596
53 H VAL 12 H VAL 12 6.986 1.764 4.474
54 HA VAL 12 HA VAL 12 6.428 1.644 1.766
55 HB VAL 12 HB VAL 12 9.121 1.413 3.142
56 HG11 VAL 12 HG11 VAL 12 8.352 1.848 0.211
57 HG12 VAL 12 HG12 VAL 12 9.984 2.105 0.877
58 HG13 VAL 12 HG13 VAL 12 9.273 0.483 0.863
59 HG21 VAL 12 HG21 VAL 12 9.334 3.744 2.674
60 HG22 VAL 12 HG22 VAL 12 7.812 3.763 1.783
61 HG23 VAL 12 HG23 VAL 12 7.790 3.517 3.530
62 HA PRO 13 HA PRO 13 8.021 -2.782 1.216
63 HB2 PRO 13 HB2 PRO 13 8.801 -4.385 3.289
64 HB3 PRO 13 HB3 PRO 13 9.892 -3.208 2.516
65 HG2 PRO 13 HG2 PRO 13 8.289 -2.853 5.069
66 HG3 PRO 13 HG3 PRO 13 10.021 -2.492 4.778
67 HD2 PRO 13 HD2 PRO 13 8.123 -0.564 4.648
68 HD3 PRO 13 HD3 PRO 13 9.536 -0.587 3.559
69 H CYS 14 H CYS 14 5.775 -2.613 0.812
70 HA CYS 14 HA CYS 14 3.718 -3.134 2.601
71 HB2 CYS 14 HB2 CYS 14 4.100 -3.201 -0.359
72 HB3 CYS 14 HB3 CYS 14 2.610 -3.872 0.276
73 HA PRO 15 HA PRO 15 4.244 -7.501 3.444
74 HB2 PRO 15 HB2 PRO 15 1.938 -8.010 4.831
75 HB3 PRO 15 HB3 PRO 15 3.276 -7.026 5.479
76 HG2 PRO 15 HG2 PRO 15 0.763 -6.063 4.089
77 HG3 PRO 15 HG3 PRO 15 1.443 -5.532 5.657
78 HD2 PRO 15 HD2 PRO 15 1.939 -4.156 3.387
79 HD3 PRO 15 HD3 PRO 15 3.221 -4.377 4.603
80 H GLY 16 H GLY 16 1.920 -6.261 1.310
81 HA2 GLY 16 HA2 GLY 16 1.623 -8.521 -0.290
82 HA3 GLY 16 HA3 GLY 16 0.156 -8.323 0.713
83 H GLY 17 H GLY 17 0.251 -7.871 -2.084
84 HA2 GLY 17 HA2 GLY 17 0.481 -5.041 -2.688
85 HA3 GLY 17 HA3 GLY 17 -0.106 -6.333 -3.737
86 H THR 18 H THR 18 -2.299 -7.246 -3.209
87 HA THR 18 HA THR 18 -4.153 -5.082 -2.879
88 HB THR 18 HB THR 18 -4.755 -8.030 -3.272
89 HG1 THR 18 HG1 THR 18 -4.604 -7.504 -5.474
90 HG21 THR 18 HG21 THR 18 -6.168 -5.424 -4.063
91 HG22 THR 18 HG22 THR 18 -6.719 -6.579 -2.828
92 HG23 THR 18 HG23 THR 18 -6.717 -7.056 -4.526
93 H GLY 19 H GLY 19 -3.548 -8.075 -0.842
94 HA2 GLY 19 HA2 GLY 19 -5.741 -7.750 0.861
95 HA3 GLY 19 HA3 GLY 19 -4.223 -8.529 1.284
96 H CYS 20 H CYS 20 -2.907 -5.848 0.712
97 HA CYS 20 HA CYS 20 -2.913 -4.796 3.432
98 HB2 CYS 20 HB2 CYS 20 -0.918 -5.100 2.011
99 HB3 CYS 20 HB3 CYS 20 -1.499 -3.940 0.866
100 H ARG 21 H ARG 21 -2.993 -2.114 3.335
101 HA ARG 21 HA ARG 21 -5.707 -1.435 2.300
102 HB2 ARG 21 HB2 ARG 21 -4.316 -0.780 4.909
103 HB3 ARG 21 HB3 ARG 21 -5.692 0.147 4.312
104 HG2 ARG 21 HG2 ARG 21 -7.209 -1.494 4.705
105 HG3 ARG 21 HG3 ARG 21 -6.124 -2.809 4.242
106 HD2 ARG 21 HD2 ARG 21 -5.052 -2.867 6.364
107 HD3 ARG 21 HD3 ARG 21 -5.749 -1.302 6.842
108 HE ARG 21 HE ARG 21 -7.719 -2.261 7.397
109 HH11 ARG 21 HH11 ARG 21 -5.738 -4.890 5.927
110 HH12 ARG 21 HH12 ARG 21 -6.999 -6.048 6.164
111 HH21 ARG 21 HH21 ARG 21 -9.317 -3.869 7.627
112 HH22 ARG 21 HH22 ARG 21 -9.071 -5.432 6.898
113 H CYS 22 H CYS 22 -4.560 -0.979 0.444
114 HA CYS 22 HA CYS 22 -3.300 1.776 0.354
115 HB2 CYS 22 HB2 CYS 22 -2.812 -0.581 -1.514
116 HB3 CYS 22 HB3 CYS 22 -2.344 1.043 -1.857
117 H THR 23 H THR 23 -4.588 -0.272 -2.249
118 HA THR 23 HA THR 23 -5.968 1.910 -3.454
119 HB THR 23 HB THR 23 -6.536 -0.208 -4.956
120 HG1 THR 23 HG1 THR 23 -4.621 -1.683 -4.593
121 HG21 THR 23 HG21 THR 23 -4.895 1.626 -5.455
122 HG22 THR 23 HG22 THR 23 -4.318 0.050 -6.007
123 HG23 THR 23 HG23 THR 23 -3.657 0.763 -4.516
124 H SER 24 H SER 24 -6.739 0.322 -0.790
125 HA SER 24 HA SER 24 -9.303 -0.721 -0.919
126 HB2 SER 24 HB2 SER 24 -7.562 -0.853 0.893
127 HB3 SER 24 HB3 SER 24 -7.864 0.845 1.271
128 HG SER 24 HG SER 24 -9.528 -1.427 1.640
129 H ALA 25 H ALA 25 -10.806 0.385 -2.066
130 HA ALA 25 HA ALA 25 -11.785 2.957 -1.176
131 HB1 ALA 25 HB1 ALA 25 -11.509 4.079 -3.331
132 HB2 ALA 25 HB2 ALA 25 -9.930 3.533 -2.761
133 HB3 ALA 25 HB3 ALA 25 -10.769 2.637 -4.049
134 H ARG 26 H ARG 26 -13.361 3.281 -3.681
135 HA ARG 26 HA ARG 26 -15.067 0.843 -3.633
136 HB2 ARG 26 HB2 ARG 26 -15.928 3.761 -3.389
137 HB3 ARG 26 HB3 ARG 26 -17.008 2.384 -3.566
138 HG2 ARG 26 HG2 ARG 26 -16.093 1.415 -1.448
139 HG3 ARG 26 HG3 ARG 26 -15.070 2.823 -1.268
140 HD2 ARG 26 HD2 ARG 26 -16.884 3.176 0.186
141 HD3 ARG 26 HD3 ARG 26 -17.061 4.306 -1.171
142 HE ARG 26 HE ARG 26 -19.025 3.316 -1.725
143 HH11 ARG 26 HH11 ARG 26 -17.217 0.900 0.151
144 HH12 ARG 26 HH12 ARG 26 -18.529 -0.224 0.199
145 HH21 ARG 26 HH21 ARG 26 -20.857 1.999 -1.302
146 HH22 ARG 26 HH22 ARG 26 -20.681 0.441 -0.598
Start of MODEL 5
1 H1 GLY 1 H GLY 1 11.699 2.655 -4.703
2 HA2 GLY 1 HA2 GLY 1 13.248 2.049 -6.552
3 HA3 GLY 1 HA3 GLY 1 13.232 0.407 -5.886
4 H SER 2 H SER 2 11.164 -0.781 -5.893
5 HA SER 2 HA SER 2 9.046 0.243 -7.662
6 HB2 SER 2 HB2 SER 2 10.403 -2.489 -7.846
7 HB3 SER 2 HB3 SER 2 9.021 -1.937 -8.821
8 HG SER 2 HG SER 2 11.199 -1.780 -9.777
9 H GLY 3 H GLY 3 7.144 -1.301 -7.444
10 HA2 GLY 3 HA2 GLY 3 5.890 -2.846 -6.181
11 HA3 GLY 3 HA3 GLY 3 6.920 -2.604 -4.769
12 H CYS 4 H CYS 4 6.585 -0.673 -3.430
13 HA CYS 4 HA CYS 4 4.357 1.077 -4.242
14 HB2 CYS 4 HB2 CYS 4 3.664 -1.021 -2.873
15 HB3 CYS 4 HB3 CYS 4 4.400 -0.159 -1.497
16 H ASP 5 H ASP 5 3.930 2.834 -2.473
17 HA ASP 5 HA ASP 5 6.352 3.763 -1.153
18 HB2 ASP 5 HB2 ASP 5 4.537 5.660 -2.633
19 HB3 ASP 5 HB3 ASP 5 6.245 5.812 -2.250
20 H ASP 6 H ASP 6 5.614 5.643 0.235
21 HA ASP 6 HA ASP 6 3.348 4.855 1.858
22 HB2 ASP 6 HB2 ASP 6 4.029 6.463 3.399
23 HB3 ASP 6 HB3 ASP 6 5.529 5.795 2.792
24 H LYS 7 H LYS 7 3.945 7.285 -0.625
25 HA LYS 7 HA LYS 7 1.905 9.164 -0.053
26 HB2 LYS 7 HB2 LYS 7 2.978 8.135 -2.723
27 HB3 LYS 7 HB3 LYS 7 1.681 9.336 -2.626
28 HG2 LYS 7 HG2 LYS 7 3.067 10.869 -1.359
29 HG3 LYS 7 HG3 LYS 7 4.367 9.681 -1.290
30 HD2 LYS 7 HD2 LYS 7 5.018 11.194 -2.911
31 HD3 LYS 7 HD3 LYS 7 4.507 9.790 -3.831
32 HE2 LYS 7 HE2 LYS 7 2.787 12.292 -3.349
33 HE3 LYS 7 HE3 LYS 7 3.907 12.118 -4.697
34 HZ1 LYS 7 HZ1 LYS 7 1.782 11.560 -5.486
35 HZ2 LYS 7 HZ2 LYS 7 1.454 10.524 -4.298
36 HZ3 LYS 7 HZ3 LYS 7 2.617 10.178 -5.439
37 H CYS 8 H CYS 8 1.769 5.983 -1.459
38 HA CYS 8 HA CYS 8 -0.792 5.779 -2.415
39 HB2 CYS 8 HB2 CYS 8 1.139 4.166 -2.461
40 HB3 CYS 8 HB3 CYS 8 0.773 3.773 -0.768
41 H GLY 9 H GLY 9 0.244 5.880 1.039
42 HA2 GLY 9 HA2 GLY 9 -1.238 6.431 2.763
43 HA3 GLY 9 HA3 GLY 9 -2.611 5.788 1.861
44 H CYS 10 H CYS 10 0.487 4.017 2.273
45 HA CYS 10 HA CYS 10 -0.498 2.275 4.335
46 HB2 CYS 10 HB2 CYS 10 -0.268 0.301 3.056
47 HB3 CYS 10 HB3 CYS 10 -1.303 1.400 2.155
48 H ALA 11 H ALA 11 1.383 1.070 5.218
49 HA ALA 11 HA ALA 11 3.771 2.526 5.304
50 HB1 ALA 11 HB1 ALA 11 4.741 0.514 6.349
51 HB2 ALA 11 HB2 ALA 11 3.107 0.807 6.972
52 HB3 ALA 11 HB3 ALA 11 3.396 -0.484 5.774
53 H VAL 12 H VAL 12 5.771 2.365 4.238
54 HA VAL 12 HA VAL 12 5.696 1.697 1.509
55 HB VAL 12 HB VAL 12 8.215 2.105 3.176
56 HG11 VAL 12 HG11 VAL 12 8.653 1.159 0.915
57 HG12 VAL 12 HG12 VAL 12 7.622 2.410 0.200
58 HG13 VAL 12 HG13 VAL 12 9.138 2.872 0.995
59 HG21 VAL 12 HG21 VAL 12 7.964 4.461 2.313
60 HG22 VAL 12 HG22 VAL 12 6.331 4.018 1.786
61 HG23 VAL 12 HG23 VAL 12 6.746 4.007 3.507
62 HA PRO 13 HA PRO 13 8.091 -2.300 2.248
63 HB2 PRO 13 HB2 PRO 13 8.533 -3.423 4.668
64 HB3 PRO 13 HB3 PRO 13 9.540 -2.087 4.048
65 HG2 PRO 13 HG2 PRO 13 7.166 -1.869 5.936
66 HG3 PRO 13 HG3 PRO 13 8.809 -1.188 6.147
67 HD2 PRO 13 HD2 PRO 13 6.773 0.284 5.124
68 HD3 PRO 13 HD3 PRO 13 8.449 0.454 4.518
69 H CYS 14 H CYS 14 5.873 -2.473 1.303
70 HA CYS 14 HA CYS 14 3.598 -3.491 2.632
71 HB2 CYS 14 HB2 CYS 14 4.748 -3.642 -0.189
72 HB3 CYS 14 HB3 CYS 14 3.259 -4.442 0.205
73 HA PRO 15 HA PRO 15 5.558 -7.402 3.690
74 HB2 PRO 15 HB2 PRO 15 3.364 -8.986 4.285
75 HB3 PRO 15 HB3 PRO 15 4.075 -7.759 5.379
76 HG2 PRO 15 HG2 PRO 15 1.696 -7.455 3.539
77 HG3 PRO 15 HG3 PRO 15 1.848 -6.936 5.244
78 HD2 PRO 15 HD2 PRO 15 2.184 -5.191 3.176
79 HD3 PRO 15 HD3 PRO 15 3.204 -5.082 4.638
80 H GLY 16 H GLY 16 3.180 -7.096 1.141
81 HA2 GLY 16 HA2 GLY 16 4.608 -8.967 -0.561
82 HA3 GLY 16 HA3 GLY 16 3.003 -9.513 -0.069
83 H GLY 17 H GLY 17 1.371 -8.855 -1.368
84 HA2 GLY 17 HA2 GLY 17 1.417 -6.152 -2.604
85 HA3 GLY 17 HA3 GLY 17 1.485 -7.567 -3.624
86 H THR 18 H THR 18 -0.463 -9.014 -1.716
87 HA THR 18 HA THR 18 -2.888 -7.482 -2.514
88 HB THR 18 HB THR 18 -2.525 -10.466 -2.848
89 HG1 THR 18 HG1 THR 18 -2.723 -8.348 -4.740
90 HG21 THR 18 HG21 THR 18 -4.897 -9.932 -2.504
91 HG22 THR 18 HG22 THR 18 -4.629 -10.207 -4.237
92 HG23 THR 18 HG23 THR 18 -4.797 -8.558 -3.618
93 H GLY 19 H GLY 19 -1.283 -9.428 0.002
94 HA2 GLY 19 HA2 GLY 19 -3.557 -9.806 1.665
95 HA3 GLY 19 HA3 GLY 19 -1.873 -9.739 2.179
96 H CYS 20 H CYS 20 -1.258 -7.111 1.220
97 HA CYS 20 HA CYS 20 -2.146 -5.518 3.422
98 HB2 CYS 20 HB2 CYS 20 -0.015 -5.159 2.380
99 HB3 CYS 20 HB3 CYS 20 -0.714 -4.930 0.816
100 H ARG 21 H ARG 21 -3.438 -3.456 3.319
101 HA ARG 21 HA ARG 21 -5.840 -3.815 1.641
102 HB2 ARG 21 HB2 ARG 21 -6.865 -2.153 3.081
103 HB3 ARG 21 HB3 ARG 21 -6.341 -3.594 3.923
104 HG2 ARG 21 HG2 ARG 21 -4.447 -2.369 4.911
105 HG3 ARG 21 HG3 ARG 21 -4.867 -0.953 3.949
106 HD2 ARG 21 HD2 ARG 21 -5.607 -0.625 6.207
107 HD3 ARG 21 HD3 ARG 21 -6.979 -0.666 5.092
108 HE ARG 21 HE ARG 21 -6.685 -3.275 6.104
109 HH11 ARG 21 HH11 ARG 21 -7.247 -0.039 7.527
110 HH12 ARG 21 HH12 ARG 21 -8.372 -0.625 8.694
111 HH21 ARG 21 HH21 ARG 21 -8.258 -4.022 7.668
112 HH22 ARG 21 HH22 ARG 21 -8.728 -2.961 8.928
113 H CYS 22 H CYS 22 -4.249 -3.348 -0.054
114 HA CYS 22 HA CYS 22 -3.817 -0.442 -0.580
115 HB2 CYS 22 HB2 CYS 22 -2.873 -2.958 -1.953
116 HB3 CYS 22 HB3 CYS 22 -2.928 -1.466 -2.858
117 H THR 23 H THR 23 -5.462 -3.154 -2.299
118 HA THR 23 HA THR 23 -6.476 -1.470 -4.381
119 HB THR 23 HB THR 23 -7.681 -3.807 -4.781
120 HG1 THR 23 HG1 THR 23 -6.996 -4.477 -2.532
121 HG21 THR 23 HG21 THR 23 -5.573 -4.607 -5.805
122 HG22 THR 23 HG22 THR 23 -4.635 -3.461 -4.826
123 HG23 THR 23 HG23 THR 23 -5.743 -2.853 -6.037
124 H SER 24 H SER 24 -7.259 -0.135 -2.190
125 HA SER 24 HA SER 24 -10.188 -0.458 -2.023
126 HB2 SER 24 HB2 SER 24 -9.769 0.488 0.301
127 HB3 SER 24 HB3 SER 24 -9.178 -1.166 -0.016
128 HG SER 24 HG SER 24 -7.671 0.017 1.109
129 H ALA 25 H ALA 25 -11.061 1.818 -1.128
130 HA ALA 25 HA ALA 25 -9.632 4.086 -2.352
131 HB1 ALA 25 HB1 ALA 25 -11.752 4.796 -3.442
132 HB2 ALA 25 HB2 ALA 25 -11.158 3.266 -4.118
133 HB3 ALA 25 HB3 ALA 25 -12.517 3.275 -2.963
134 H ARG 26 H ARG 26 -10.109 5.969 -1.441
135 HA ARG 26 HA ARG 26 -10.217 7.256 0.430
136 HB2 ARG 26 HB2 ARG 26 -11.973 7.842 -1.268
137 HB3 ARG 26 HB3 ARG 26 -13.127 6.895 -0.331
138 HG2 ARG 26 HG2 ARG 26 -12.327 8.504 1.674
139 HG3 ARG 26 HG3 ARG 26 -11.716 9.482 0.348
140 HD2 ARG 26 HD2 ARG 26 -13.925 10.273 0.899
141 HD3 ARG 26 HD3 ARG 26 -14.078 9.423 -0.637
142 HE ARG 26 HE ARG 26 -14.829 7.439 0.656
143 HH11 ARG 26 HH11 ARG 26 -15.369 10.653 2.088
144 HH12 ARG 26 HH12 ARG 26 -16.453 10.082 3.301
145 HH21 ARG 26 HH21 ARG 26 -16.229 6.694 2.148
146 HH22 ARG 26 HH22 ARG 26 -17.109 7.781 3.230
Start of MODEL 6
1 H1 GLY 1 H GLY 1 6.007 1.858 -7.894
2 HA2 GLY 1 HA2 GLY 1 4.024 2.132 -10.072
3 HA3 GLY 1 HA3 GLY 1 5.648 1.431 -10.304
4 H SER 2 H SER 2 5.977 -0.738 -9.818
5 HA SER 2 HA SER 2 3.733 -2.426 -9.280
6 HB2 SER 2 HB2 SER 2 5.658 -4.094 -8.975
7 HB3 SER 2 HB3 SER 2 5.543 -3.326 -10.572
8 HG SER 2 HG SER 2 7.649 -3.467 -9.245
9 H GLY 3 H GLY 3 6.526 -1.200 -7.500
10 HA2 GLY 3 HA2 GLY 3 5.709 -2.315 -4.925
11 HA3 GLY 3 HA3 GLY 3 7.132 -1.296 -5.280
12 H CYS 4 H CYS 4 6.053 -0.549 -3.148
13 HA CYS 4 HA CYS 4 4.200 1.726 -3.658
14 HB2 CYS 4 HB2 CYS 4 3.297 -0.136 -2.385
15 HB3 CYS 4 HB3 CYS 4 4.546 0.008 -1.137
16 H ASP 5 H ASP 5 4.599 3.188 -1.320
17 HA ASP 5 HA ASP 5 7.353 3.636 -0.823
18 HB2 ASP 5 HB2 ASP 5 6.579 5.057 -2.988
19 HB3 ASP 5 HB3 ASP 5 5.838 6.038 -1.661
20 H ASP 6 H ASP 6 7.179 5.798 0.511
21 HA ASP 6 HA ASP 6 5.476 5.177 2.840
22 HB2 ASP 6 HB2 ASP 6 7.553 7.361 2.384
23 HB3 ASP 6 HB3 ASP 6 6.652 7.112 3.893
24 H LYS 7 H LYS 7 5.709 7.592 0.299
25 HA LYS 7 HA LYS 7 3.993 9.587 1.382
26 HB2 LYS 7 HB2 LYS 7 4.293 8.805 -1.541
27 HB3 LYS 7 HB3 LYS 7 3.652 10.328 -0.955
28 HG2 LYS 7 HG2 LYS 7 6.515 9.322 -0.616
29 HG3 LYS 7 HG3 LYS 7 5.967 10.538 -1.757
30 HD2 LYS 7 HD2 LYS 7 5.913 10.832 1.277
31 HD3 LYS 7 HD3 LYS 7 7.111 11.524 0.182
32 HE2 LYS 7 HE2 LYS 7 5.378 12.808 -0.988
33 HE3 LYS 7 HE3 LYS 7 4.147 12.147 0.103
34 HZ1 LYS 7 HZ1 LYS 7 5.246 13.243 1.923
35 HZ2 LYS 7 HZ2 LYS 7 4.855 14.327 0.732
36 HZ3 LYS 7 HZ3 LYS 7 6.409 13.863 0.888
37 H CYS 8 H CYS 8 3.254 6.424 0.494
38 HA CYS 8 HA CYS 8 0.481 6.756 -0.305
39 HB2 CYS 8 HB2 CYS 8 1.852 4.845 -1.007
40 HB3 CYS 8 HB3 CYS 8 2.164 4.431 0.694
41 H GLY 9 H GLY 9 2.248 6.504 2.832
42 HA2 GLY 9 HA2 GLY 9 1.242 7.032 4.879
43 HA3 GLY 9 HA3 GLY 9 -0.362 6.676 4.250
44 H CYS 10 H CYS 10 2.283 4.397 3.614
45 HA CYS 10 HA CYS 10 1.730 2.671 5.833
46 HB2 CYS 10 HB2 CYS 10 1.025 0.836 4.637
47 HB3 CYS 10 HB3 CYS 10 0.074 2.151 3.966
48 H ALA 11 H ALA 11 3.479 1.172 6.032
49 HA ALA 11 HA ALA 11 5.995 2.084 5.266
50 HB1 ALA 11 HB1 ALA 11 5.249 -0.801 5.944
51 HB2 ALA 11 HB2 ALA 11 6.846 -0.047 6.102
52 HB3 ALA 11 HB3 ALA 11 5.522 0.495 7.143
53 H VAL 12 H VAL 12 7.469 1.511 3.726
54 HA VAL 12 HA VAL 12 6.507 0.888 1.139
55 HB VAL 12 HB VAL 12 9.418 0.922 2.015
56 HG11 VAL 12 HG11 VAL 12 9.825 1.566 -0.319
57 HG12 VAL 12 HG12 VAL 12 9.025 -0.010 -0.237
58 HG13 VAL 12 HG13 VAL 12 8.086 1.432 -0.664
59 HG21 VAL 12 HG21 VAL 12 8.651 2.993 2.710
60 HG22 VAL 12 HG22 VAL 12 9.137 3.361 1.063
61 HG23 VAL 12 HG23 VAL 12 7.416 3.105 1.475
62 HA PRO 13 HA PRO 13 8.437 -3.444 1.463
63 HB2 PRO 13 HB2 PRO 13 9.339 -4.560 3.760
64 HB3 PRO 13 HB3 PRO 13 10.316 -3.399 2.819
65 HG2 PRO 13 HG2 PRO 13 8.557 -2.806 5.228
66 HG3 PRO 13 HG3 PRO 13 10.278 -2.362 4.972
67 HD2 PRO 13 HD2 PRO 13 8.261 -0.641 4.428
68 HD3 PRO 13 HD3 PRO 13 9.726 -0.708 3.415
69 H CYS 14 H CYS 14 6.083 -2.989 1.286
70 HA CYS 14 HA CYS 14 4.050 -3.598 3.063
71 HB2 CYS 14 HB2 CYS 14 4.470 -3.553 0.057
72 HB3 CYS 14 HB3 CYS 14 2.906 -4.126 0.716
73 HA PRO 15 HA PRO 15 4.485 -8.071 3.504
74 HB2 PRO 15 HB2 PRO 15 2.063 -8.713 4.614
75 HB3 PRO 15 HB3 PRO 15 3.311 -7.792 5.484
76 HG2 PRO 15 HG2 PRO 15 0.939 -6.700 3.961
77 HG3 PRO 15 HG3 PRO 15 1.449 -6.333 5.640
78 HD2 PRO 15 HD2 PRO 15 2.144 -4.718 3.573
79 HD3 PRO 15 HD3 PRO 15 3.316 -5.052 4.880
80 H GLY 16 H GLY 16 2.760 -6.672 1.072
81 HA2 GLY 16 HA2 GLY 16 2.497 -8.807 -0.618
82 HA3 GLY 16 HA3 GLY 16 0.901 -8.592 0.170
83 H GLY 17 H GLY 17 -0.026 -7.676 -1.693
84 HA2 GLY 17 HA2 GLY 17 0.740 -4.820 -2.244
85 HA3 GLY 17 HA3 GLY 17 0.521 -5.989 -3.527
86 H THR 18 H THR 18 -1.820 -7.375 -2.533
87 HA THR 18 HA THR 18 -3.764 -5.195 -2.942
88 HB THR 18 HB THR 18 -4.078 -8.177 -3.295
89 HG1 THR 18 HG1 THR 18 -3.318 -7.895 -5.222
90 HG21 THR 18 HG21 THR 18 -5.718 -5.746 -4.210
91 HG22 THR 18 HG22 THR 18 -6.241 -6.992 -3.062
92 HG23 THR 18 HG23 THR 18 -6.006 -7.407 -4.753
93 H GLY 19 H GLY 19 -3.378 -8.024 -0.602
94 HA2 GLY 19 HA2 GLY 19 -5.776 -7.373 0.740
95 HA3 GLY 19 HA3 GLY 19 -4.476 -8.371 1.364
96 H CYS 20 H CYS 20 -2.592 -5.948 1.103
97 HA CYS 20 HA CYS 20 -2.856 -4.992 3.815
98 HB2 CYS 20 HB2 CYS 20 -0.669 -5.048 3.046
99 HB3 CYS 20 HB3 CYS 20 -1.112 -4.569 1.472
100 H ARG 21 H ARG 21 -2.939 -2.359 4.212
101 HA ARG 21 HA ARG 21 -5.520 -1.571 3.199
102 HB2 ARG 21 HB2 ARG 21 -5.491 0.152 4.830
103 HB3 ARG 21 HB3 ARG 21 -5.267 -1.431 5.535
104 HG2 ARG 21 HG2 ARG 21 -3.003 -1.020 6.123
105 HG3 ARG 21 HG3 ARG 21 -2.852 0.379 5.079
106 HD2 ARG 21 HD2 ARG 21 -4.648 0.228 7.533
107 HD3 ARG 21 HD3 ARG 21 -3.078 1.019 7.475
108 HE ARG 21 HE ARG 21 -5.619 1.997 6.459
109 HH11 ARG 21 HH11 ARG 21 -2.085 2.492 6.287
110 HH12 ARG 21 HH12 ARG 21 -2.212 4.063 5.604
111 HH21 ARG 21 HH21 ARG 21 -5.785 3.978 5.413
112 HH22 ARG 21 HH22 ARG 21 -4.356 4.831 4.878
113 H CYS 22 H CYS 22 -4.244 -1.560 1.091
114 HA CYS 22 HA CYS 22 -2.944 1.090 0.615
115 HB2 CYS 22 HB2 CYS 22 -2.924 -1.400 -1.066
116 HB3 CYS 22 HB3 CYS 22 -2.569 0.127 -1.747
117 H THR 23 H THR 23 -5.072 -0.767 -1.573
118 HA THR 23 HA THR 23 -6.585 1.749 -2.039
119 HB THR 23 HB THR 23 -6.939 0.646 -4.313
120 HG1 THR 23 HG1 THR 23 -6.351 -1.444 -3.933
121 HG21 THR 23 HG21 THR 23 -4.061 1.252 -3.457
122 HG22 THR 23 HG22 THR 23 -5.291 2.463 -3.878
123 HG23 THR 23 HG23 THR 23 -4.714 1.331 -5.111
124 H SER 24 H SER 24 -7.151 0.133 0.212
125 HA SER 24 HA SER 24 -9.258 -1.727 -0.284
126 HB2 SER 24 HB2 SER 24 -8.723 -0.212 2.290
127 HB3 SER 24 HB3 SER 24 -9.362 -1.852 2.080
128 HG SER 24 HG SER 24 -7.307 -2.472 1.290
129 H ALA 25 H ALA 25 -10.853 -0.881 -1.480
130 HA ALA 25 HA ALA 25 -12.762 0.994 -0.451
131 HB1 ALA 25 HB1 ALA 25 -12.682 2.461 -2.518
132 HB2 ALA 25 HB2 ALA 25 -11.280 2.678 -1.467
133 HB3 ALA 25 HB3 ALA 25 -11.134 1.717 -2.955
134 H ARG 26 H ARG 26 -14.672 0.905 -2.011
135 HA ARG 26 HA ARG 26 -14.917 -1.820 -2.991
136 HB2 ARG 26 HB2 ARG 26 -17.177 -1.369 -3.415
137 HB3 ARG 26 HB3 ARG 26 -16.755 -0.547 -1.930
138 HG2 ARG 26 HG2 ARG 26 -17.901 1.195 -2.904
139 HG3 ARG 26 HG3 ARG 26 -16.335 1.520 -3.657
140 HD2 ARG 26 HD2 ARG 26 -17.089 -0.059 -5.553
141 HD3 ARG 26 HD3 ARG 26 -18.667 -0.075 -4.791
142 HE ARG 26 HE ARG 26 -19.063 2.104 -5.403
143 HH11 ARG 26 HH11 ARG 26 -15.638 1.311 -6.114
144 HH12 ARG 26 HH12 ARG 26 -15.469 2.487 -7.357
145 HH21 ARG 26 HH21 ARG 26 -18.778 3.771 -7.070
146 HH22 ARG 26 HH22 ARG 26 -17.176 4.039 -7.708
Start of MODEL 7
1 H1 GLY 1 H GLY 1 7.142 -5.263 -10.433
2 HA2 GLY 1 HA2 GLY 1 5.180 -4.189 -9.514
3 HA3 GLY 1 HA3 GLY 1 5.326 -5.839 -8.912
4 H SER 2 H SER 2 7.087 -5.724 -6.791
5 HA SER 2 HA SER 2 5.539 -4.440 -4.772
6 HB2 SER 2 HB2 SER 2 8.273 -5.720 -4.517
7 HB3 SER 2 HB3 SER 2 7.061 -5.507 -3.249
8 HG SER 2 HG SER 2 7.383 -7.549 -4.795
9 H GLY 3 H GLY 3 5.872 -2.178 -5.868
10 HA2 GLY 3 HA2 GLY 3 8.002 -0.764 -4.348
11 HA3 GLY 3 HA3 GLY 3 7.776 -0.450 -6.085
12 H CYS 4 H CYS 4 6.850 0.446 -2.945
13 HA CYS 4 HA CYS 4 4.588 2.020 -3.942
14 HB2 CYS 4 HB2 CYS 4 3.917 -0.112 -2.711
15 HB3 CYS 4 HB3 CYS 4 4.509 0.687 -1.241
16 H ASP 5 H ASP 5 4.039 3.719 -2.076
17 HA ASP 5 HA ASP 5 6.605 4.769 -0.973
18 HB2 ASP 5 HB2 ASP 5 4.453 6.552 -2.090
19 HB3 ASP 5 HB3 ASP 5 6.185 6.872 -1.881
20 H ASP 6 H ASP 6 6.169 6.589 0.666
21 HA ASP 6 HA ASP 6 4.370 5.623 2.717
22 HB2 ASP 6 HB2 ASP 6 6.139 8.075 2.462
23 HB3 ASP 6 HB3 ASP 6 4.952 7.950 3.764
24 H LYS 7 H LYS 7 4.053 7.986 0.134
25 HA LYS 7 HA LYS 7 1.850 9.487 1.127
26 HB2 LYS 7 HB2 LYS 7 2.489 8.666 -1.748
27 HB3 LYS 7 HB3 LYS 7 1.260 9.835 -1.294
28 HG2 LYS 7 HG2 LYS 7 4.244 10.154 -0.794
29 HG3 LYS 7 HG3 LYS 7 3.295 10.917 -2.072
30 HD2 LYS 7 HD2 LYS 7 1.836 11.819 -0.030
31 HD3 LYS 7 HD3 LYS 7 3.318 11.526 0.879
32 HE2 LYS 7 HE2 LYS 7 2.856 13.368 -1.489
33 HE3 LYS 7 HE3 LYS 7 3.262 13.833 0.157
34 HZ1 LYS 7 HZ1 LYS 7 5.106 12.403 -1.680
35 HZ2 LYS 7 HZ2 LYS 7 5.474 12.974 -0.173
36 HZ3 LYS 7 HZ3 LYS 7 5.092 14.003 -1.399
37 H CYS 8 H CYS 8 2.020 6.187 0.182
38 HA CYS 8 HA CYS 8 -0.724 5.778 -0.578
39 HB2 CYS 8 HB2 CYS 8 1.201 4.244 -1.062
40 HB3 CYS 8 HB3 CYS 8 1.259 3.854 0.667
41 H GLY 9 H GLY 9 0.854 6.176 2.606
42 HA2 GLY 9 HA2 GLY 9 -0.288 6.467 4.637
43 HA3 GLY 9 HA3 GLY 9 -1.789 5.921 3.893
44 H CYS 10 H CYS 10 1.164 4.064 3.496
45 HA CYS 10 HA CYS 10 0.659 2.206 5.640
46 HB2 CYS 10 HB2 CYS 10 0.300 0.368 4.322
47 HB3 CYS 10 HB3 CYS 10 -0.708 1.510 3.487
48 H ALA 11 H ALA 11 2.602 0.853 5.827
49 HA ALA 11 HA ALA 11 5.011 2.125 5.611
50 HB1 ALA 11 HB1 ALA 11 6.045 -0.085 5.971
51 HB2 ALA 11 HB2 ALA 11 4.545 -0.025 6.890
52 HB3 ALA 11 HB3 ALA 11 4.618 -0.919 5.357
53 H VAL 12 H VAL 12 6.810 2.036 4.244
54 HA VAL 12 HA VAL 12 6.299 1.671 1.408
55 HB VAL 12 HB VAL 12 8.767 2.381 3.040
56 HG11 VAL 12 HG11 VAL 12 8.496 1.900 0.035
57 HG12 VAL 12 HG12 VAL 12 9.881 2.720 0.800
58 HG13 VAL 12 HG13 VAL 12 9.546 1.010 1.147
59 HG21 VAL 12 HG21 VAL 12 6.913 4.070 2.662
60 HG22 VAL 12 HG22 VAL 12 8.452 4.530 1.917
61 HG23 VAL 12 HG23 VAL 12 7.135 3.860 0.923
62 HA PRO 13 HA PRO 13 8.920 -2.334 2.207
63 HB2 PRO 13 HB2 PRO 13 9.144 -3.307 4.780
64 HB3 PRO 13 HB3 PRO 13 10.344 -2.250 4.033
65 HG2 PRO 13 HG2 PRO 13 8.084 -1.464 5.869
66 HG3 PRO 13 HG3 PRO 13 9.801 -0.940 5.919
67 HD2 PRO 13 HD2 PRO 13 7.963 0.623 4.848
68 HD3 PRO 13 HD3 PRO 13 9.555 0.449 4.046
69 H CYS 14 H CYS 14 7.110 -2.956 1.197
70 HA CYS 14 HA CYS 14 4.781 -3.946 2.754
71 HB2 CYS 14 HB2 CYS 14 5.220 -2.734 0.077
72 HB3 CYS 14 HB3 CYS 14 3.946 -3.939 0.235
73 HA PRO 15 HA PRO 15 6.622 -7.869 1.544
74 HB2 PRO 15 HB2 PRO 15 4.778 -9.514 2.868
75 HB3 PRO 15 HB3 PRO 15 6.305 -8.877 3.532
76 HG2 PRO 15 HG2 PRO 15 3.530 -7.988 4.087
77 HG3 PRO 15 HG3 PRO 15 5.004 -7.804 5.077
78 HD2 PRO 15 HD2 PRO 15 3.744 -5.851 3.468
79 HD3 PRO 15 HD3 PRO 15 5.338 -5.659 4.224
80 H GLY 16 H GLY 16 3.143 -6.821 1.194
81 HA2 GLY 16 HA2 GLY 16 3.134 -8.169 -1.418
82 HA3 GLY 16 HA3 GLY 16 1.806 -8.410 -0.277
83 H GLY 17 H GLY 17 1.651 -7.238 -2.802
84 HA2 GLY 17 HA2 GLY 17 1.208 -4.313 -2.418
85 HA3 GLY 17 HA3 GLY 17 1.186 -5.209 -3.959
86 H THR 18 H THR 18 -0.483 -6.969 -4.159
87 HA THR 18 HA THR 18 -3.077 -6.094 -3.877
88 HB THR 18 HB THR 18 -2.138 -8.978 -4.044
89 HG1 THR 18 HG1 THR 18 -1.676 -8.689 -6.172
90 HG21 THR 18 HG21 THR 18 -4.309 -7.531 -5.608
91 HG22 THR 18 HG22 THR 18 -4.596 -8.409 -4.086
92 HG23 THR 18 HG23 THR 18 -4.007 -9.281 -5.494
93 H GLY 19 H GLY 19 -1.237 -8.515 -1.956
94 HA2 GLY 19 HA2 GLY 19 -3.257 -9.214 -0.143
95 HA3 GLY 19 HA3 GLY 19 -1.531 -9.485 0.044
96 H CYS 20 H CYS 20 -2.059 -6.145 -0.190
97 HA CYS 20 HA CYS 20 -2.091 -5.766 2.789
98 HB2 CYS 20 HB2 CYS 20 0.038 -5.203 1.652
99 HB3 CYS 20 HB3 CYS 20 -0.841 -4.210 0.506
100 H ARG 21 H ARG 21 -3.142 -3.360 3.311
101 HA ARG 21 HA ARG 21 -5.611 -3.309 1.707
102 HB2 ARG 21 HB2 ARG 21 -6.572 -1.833 3.236
103 HB3 ARG 21 HB3 ARG 21 -5.859 -3.205 4.076
104 HG2 ARG 21 HG2 ARG 21 -4.024 -1.782 4.879
105 HG3 ARG 21 HG3 ARG 21 -4.727 -0.376 4.042
106 HD2 ARG 21 HD2 ARG 21 -6.728 -0.506 5.426
107 HD3 ARG 21 HD3 ARG 21 -6.189 -2.018 6.139
108 HE ARG 21 HE ARG 21 -4.464 -0.953 7.293
109 HH11 ARG 21 HH11 ARG 21 -6.676 1.459 5.805
110 HH12 ARG 21 HH12 ARG 21 -6.233 2.712 6.914
111 HH21 ARG 21 HH21 ARG 21 -3.843 0.839 8.691
112 HH22 ARG 21 HH22 ARG 21 -4.813 2.259 8.709
113 H CYS 22 H CYS 22 -3.642 -2.894 0.121
114 HA CYS 22 HA CYS 22 -2.984 -0.049 -0.353
115 HB2 CYS 22 HB2 CYS 22 -2.298 -2.688 -1.645
116 HB3 CYS 22 HB3 CYS 22 -2.033 -1.175 -2.474
117 H THR 23 H THR 23 -4.428 -2.527 -2.612
118 HA THR 23 HA THR 23 -5.931 -0.506 -3.930
119 HB THR 23 HB THR 23 -6.996 -2.646 -4.946
120 HG1 THR 23 HG1 THR 23 -6.325 -4.075 -3.201
121 HG21 THR 23 HG21 THR 23 -5.152 -1.308 -5.965
122 HG22 THR 23 HG22 THR 23 -4.898 -3.043 -6.246
123 HG23 THR 23 HG23 THR 23 -3.965 -2.202 -4.999
124 H SER 24 H SER 24 -7.298 0.618 -2.774
125 HA SER 24 HA SER 24 -9.592 -0.676 -1.491
126 HB2 SER 24 HB2 SER 24 -9.281 1.014 0.439
127 HB3 SER 24 HB3 SER 24 -8.225 -0.410 0.425
128 HG SER 24 HG SER 24 -6.627 0.938 -0.643
129 H ALA 25 H ALA 25 -11.433 0.588 -1.656
130 HA ALA 25 HA ALA 25 -11.306 3.290 -2.845
131 HB1 ALA 25 HB1 ALA 25 -11.457 1.652 -4.739
132 HB2 ALA 25 HB2 ALA 25 -12.956 1.015 -4.030
133 HB3 ALA 25 HB3 ALA 25 -12.868 2.698 -4.601
134 H ARG 26 H ARG 26 -14.082 3.729 -3.078
135 HA ARG 26 HA ARG 26 -14.848 3.700 -0.232
136 HB2 ARG 26 HB2 ARG 26 -16.159 4.926 -2.697
137 HB3 ARG 26 HB3 ARG 26 -16.769 5.048 -1.047
138 HG2 ARG 26 HG2 ARG 26 -14.808 6.271 -0.310
139 HG3 ARG 26 HG3 ARG 26 -13.999 6.018 -1.861
140 HD2 ARG 26 HD2 ARG 26 -14.862 8.266 -1.761
141 HD3 ARG 26 HD3 ARG 26 -15.719 7.348 -3.008
142 HE ARG 26 HE ARG 26 -17.162 7.166 -0.577
143 HH11 ARG 26 HH11 ARG 26 -16.379 9.683 -2.955
144 HH12 ARG 26 HH12 ARG 26 -17.911 10.491 -2.803
145 HH21 ARG 26 HH21 ARG 26 -19.073 8.143 -0.352
146 HH22 ARG 26 HH22 ARG 26 -19.601 9.495 -1.295
Start of MODEL 8
1 H1 GLY 1 H GLY 1 9.358 4.981 -7.830
2 HA2 GLY 1 HA2 GLY 1 9.074 3.723 -5.720
3 HA3 GLY 1 HA3 GLY 1 7.711 3.486 -6.823
4 H SER 2 H SER 2 9.759 1.807 -4.822
5 HA SER 2 HA SER 2 10.155 -0.549 -6.576
6 HB2 SER 2 HB2 SER 2 11.996 0.213 -5.079
7 HB3 SER 2 HB3 SER 2 10.936 -0.037 -3.683
8 HG SER 2 HG SER 2 11.582 -2.004 -3.749
9 H GLY 3 H GLY 3 7.979 -1.062 -6.941
10 HA2 GLY 3 HA2 GLY 3 6.059 -2.247 -6.483
11 HA3 GLY 3 HA3 GLY 3 6.602 -2.471 -4.799
12 H CYS 4 H CYS 4 5.219 -1.457 -3.389
13 HA CYS 4 HA CYS 4 3.469 0.653 -4.406
14 HB2 CYS 4 HB2 CYS 4 2.733 -1.132 -2.807
15 HB3 CYS 4 HB3 CYS 4 3.601 -0.244 -1.540
16 H ASP 5 H ASP 5 3.101 2.657 -2.753
17 HA ASP 5 HA ASP 5 5.733 3.806 -2.063
18 HB2 ASP 5 HB2 ASP 5 3.433 5.296 -3.351
19 HB3 ASP 5 HB3 ASP 5 5.069 5.868 -3.101
20 H ASP 6 H ASP 6 5.283 5.792 -0.646
21 HA ASP 6 HA ASP 6 3.426 4.960 1.437
22 HB2 ASP 6 HB2 ASP 6 5.875 6.385 1.437
23 HB3 ASP 6 HB3 ASP 6 4.660 7.550 1.961
24 H LYS 7 H LYS 7 3.403 7.199 -1.234
25 HA LYS 7 HA LYS 7 1.474 9.068 -0.317
26 HB2 LYS 7 HB2 LYS 7 1.876 7.869 -3.103
27 HB3 LYS 7 HB3 LYS 7 0.745 9.175 -2.783
28 HG2 LYS 7 HG2 LYS 7 3.733 9.334 -2.257
29 HG3 LYS 7 HG3 LYS 7 2.937 9.911 -3.712
30 HD2 LYS 7 HD2 LYS 7 2.289 10.919 -0.927
31 HD3 LYS 7 HD3 LYS 7 3.453 11.677 -1.984
32 HE2 LYS 7 HE2 LYS 7 1.938 12.747 -3.195
33 HE3 LYS 7 HE3 LYS 7 0.876 11.352 -3.369
34 HZ1 LYS 7 HZ1 LYS 7 -0.327 12.024 -1.521
35 HZ2 LYS 7 HZ2 LYS 7 0.205 13.474 -2.052
36 HZ3 LYS 7 HZ3 LYS 7 0.962 12.755 -0.790
37 H CYS 8 H CYS 8 1.160 5.746 -1.252
38 HA CYS 8 HA CYS 8 -1.580 5.531 -1.743
39 HB2 CYS 8 HB2 CYS 8 0.063 3.805 -2.138
40 HB3 CYS 8 HB3 CYS 8 0.313 3.618 -0.390
41 H GLY 9 H GLY 9 0.056 6.173 1.379
42 HA2 GLY 9 HA2 GLY 9 -0.977 6.768 3.339
43 HA3 GLY 9 HA3 GLY 9 -2.533 6.166 2.760
44 H CYS 10 H CYS 10 0.282 4.119 2.392
45 HA CYS 10 HA CYS 10 -0.145 2.627 4.825
46 HB2 CYS 10 HB2 CYS 10 -0.837 0.638 3.919
47 HB3 CYS 10 HB3 CYS 10 -1.794 1.837 3.056
48 H ALA 11 H ALA 11 1.637 1.409 5.290
49 HA ALA 11 HA ALA 11 4.153 2.239 4.869
50 HB1 ALA 11 HB1 ALA 11 4.925 -0.025 5.565
51 HB2 ALA 11 HB2 ALA 11 3.596 0.601 6.565
52 HB3 ALA 11 HB3 ALA 11 3.288 -0.646 5.332
53 H VAL 12 H VAL 12 5.819 2.145 3.435
54 HA VAL 12 HA VAL 12 5.351 1.459 0.741
55 HB VAL 12 HB VAL 12 7.840 2.205 2.289
56 HG11 VAL 12 HG11 VAL 12 8.669 0.764 0.466
57 HG12 VAL 12 HG12 VAL 12 7.584 1.557 -0.684
58 HG13 VAL 12 HG13 VAL 12 8.949 2.453 0.034
59 HG21 VAL 12 HG21 VAL 12 6.014 3.866 1.788
60 HG22 VAL 12 HG22 VAL 12 7.584 4.278 1.076
61 HG23 VAL 12 HG23 VAL 12 6.322 3.568 0.069
62 HA PRO 13 HA PRO 13 7.848 -2.564 1.134
63 HB2 PRO 13 HB2 PRO 13 8.858 -3.465 3.501
64 HB3 PRO 13 HB3 PRO 13 9.718 -2.290 2.457
65 HG2 PRO 13 HG2 PRO 13 7.989 -1.717 4.890
66 HG3 PRO 13 HG3 PRO 13 9.626 -1.081 4.506
67 HD2 PRO 13 HD2 PRO 13 7.358 0.303 3.969
68 HD3 PRO 13 HD3 PRO 13 8.780 0.362 2.892
69 H CYS 14 H CYS 14 5.655 -2.881 0.769
70 HA CYS 14 HA CYS 14 3.687 -3.705 2.664
71 HB2 CYS 14 HB2 CYS 14 4.090 -3.761 -0.348
72 HB3 CYS 14 HB3 CYS 14 2.691 -4.576 0.366
73 HA PRO 15 HA PRO 15 5.280 -7.812 3.357
74 HB2 PRO 15 HB2 PRO 15 3.057 -9.159 4.295
75 HB3 PRO 15 HB3 PRO 15 4.021 -8.011 5.255
76 HG2 PRO 15 HG2 PRO 15 1.550 -7.472 3.622
77 HG3 PRO 15 HG3 PRO 15 1.846 -7.003 5.337
78 HD2 PRO 15 HD2 PRO 15 2.165 -5.233 3.340
79 HD3 PRO 15 HD3 PRO 15 3.407 -5.310 4.628
80 H GLY 16 H GLY 16 2.853 -7.319 0.921
81 HA2 GLY 16 HA2 GLY 16 3.844 -9.547 -0.581
82 HA3 GLY 16 HA3 GLY 16 2.233 -9.869 0.094
83 H GLY 17 H GLY 17 0.471 -8.368 -0.452
84 HA2 GLY 17 HA2 GLY 17 0.808 -6.195 -2.276
85 HA3 GLY 17 HA3 GLY 17 0.441 -7.656 -3.184
86 H THR 18 H THR 18 -1.604 -8.661 -2.975
87 HA THR 18 HA THR 18 -3.777 -6.940 -2.489
88 HB THR 18 HB THR 18 -5.093 -8.871 -3.170
89 HG1 THR 18 HG1 THR 18 -4.398 -10.777 -3.014
90 HG21 THR 18 HG21 THR 18 -4.054 -9.382 -5.326
91 HG22 THR 18 HG22 THR 18 -2.484 -8.783 -4.792
92 HG23 THR 18 HG23 THR 18 -3.844 -7.665 -4.968
93 H GLY 19 H GLY 19 -2.322 -9.432 -0.324
94 HA2 GLY 19 HA2 GLY 19 -4.526 -9.734 1.435
95 HA3 GLY 19 HA3 GLY 19 -2.838 -10.001 1.846
96 H CYS 20 H CYS 20 -2.533 -7.045 0.957
97 HA CYS 20 HA CYS 20 -2.620 -5.746 3.592
98 HB2 CYS 20 HB2 CYS 20 -0.805 -5.664 1.752
99 HB3 CYS 20 HB3 CYS 20 -1.958 -4.701 0.835
100 H ARG 21 H ARG 21 -3.062 -3.278 2.598
101 HA ARG 21 HA ARG 21 -5.757 -2.897 1.809
102 HB2 ARG 21 HB2 ARG 21 -6.142 -1.196 3.448
103 HB3 ARG 21 HB3 ARG 21 -5.918 -2.792 4.153
104 HG2 ARG 21 HG2 ARG 21 -3.612 -2.091 4.895
105 HG3 ARG 21 HG3 ARG 21 -3.993 -0.449 4.315
106 HD2 ARG 21 HD2 ARG 21 -6.052 -0.462 5.771
107 HD3 ARG 21 HD3 ARG 21 -5.577 -2.062 6.366
108 HE ARG 21 HE ARG 21 -3.515 -0.060 6.715
109 HH11 ARG 21 HH11 ARG 21 -6.458 -1.439 8.222
110 HH12 ARG 21 HH12 ARG 21 -5.955 -1.052 9.824
111 HH21 ARG 21 HH21 ARG 21 -3.003 0.692 8.816
112 HH22 ARG 21 HH22 ARG 21 -3.967 0.239 10.164
113 H CYS 22 H CYS 22 -5.314 -2.255 0.143
114 HA CYS 22 HA CYS 22 -3.467 -0.140 -0.697
115 HB2 CYS 22 HB2 CYS 22 -3.295 -2.992 -1.699
116 HB3 CYS 22 HB3 CYS 22 -3.001 -1.660 -2.816
117 H THR 23 H THR 23 -6.241 -2.264 -1.577
118 HA THR 23 HA THR 23 -7.390 0.114 -2.923
119 HB THR 23 HB THR 23 -6.382 -1.513 -4.519
120 HG1 THR 23 HG1 THR 23 -9.140 -1.291 -4.923
121 HG21 THR 23 HG21 THR 23 -7.548 -3.521 -5.142
122 HG22 THR 23 HG22 THR 23 -8.734 -3.313 -3.831
123 HG23 THR 23 HG23 THR 23 -7.025 -3.652 -3.460
124 H SER 24 H SER 24 -7.530 -1.494 -0.278
125 HA SER 24 HA SER 24 -10.072 -2.616 0.132
126 HB2 SER 24 HB2 SER 24 -7.909 -2.798 1.467
127 HB3 SER 24 HB3 SER 24 -8.189 -1.164 2.052
128 HG SER 24 HG SER 24 -10.069 -3.272 2.426
129 H ALA 25 H ALA 25 -9.241 0.699 -0.368
130 HA ALA 25 HA ALA 25 -11.883 1.651 0.310
131 HB1 ALA 25 HB1 ALA 25 -11.079 3.444 1.769
132 HB2 ALA 25 HB2 ALA 25 -10.583 1.885 2.453
133 HB3 ALA 25 HB3 ALA 25 -9.402 2.886 1.579
134 H ARG 26 H ARG 26 -11.995 3.966 -0.488
135 HA ARG 26 HA ARG 26 -11.794 5.508 -2.116
136 HB2 ARG 26 HB2 ARG 26 -9.580 5.961 -1.021
137 HB3 ARG 26 HB3 ARG 26 -8.814 4.890 -2.189
138 HG2 ARG 26 HG2 ARG 26 -9.206 6.311 -3.984
139 HG3 ARG 26 HG3 ARG 26 -10.543 7.149 -3.192
140 HD2 ARG 26 HD2 ARG 26 -7.702 7.311 -2.128
141 HD3 ARG 26 HD3 ARG 26 -8.188 8.293 -3.506
142 HE ARG 26 HE ARG 26 -8.572 8.944 -0.828
143 HH11 ARG 26 HH11 ARG 26 -10.528 9.076 -3.866
144 HH12 ARG 26 HH12 ARG 26 -11.437 10.431 -3.276
145 HH21 ARG 26 HH21 ARG 26 -9.789 10.883 -0.238
146 HH22 ARG 26 HH22 ARG 26 -11.059 11.365 -1.315
Start of MODEL 9
1 H1 GLY 1 H GLY 1 0.022 2.743 -11.864
2 HA2 GLY 1 HA2 GLY 1 2.074 4.087 -10.217
3 HA3 GLY 1 HA3 GLY 1 0.575 3.412 -9.552
4 H SER 2 H SER 2 3.116 2.643 -8.578
5 HA SER 2 HA SER 2 3.136 -0.217 -9.275
6 HB2 SER 2 HB2 SER 2 4.963 0.982 -10.609
7 HB3 SER 2 HB3 SER 2 5.701 1.414 -9.056
8 HG SER 2 HG SER 2 6.605 -0.514 -9.695
9 H GLY 3 H GLY 3 3.622 -1.458 -7.511
10 HA2 GLY 3 HA2 GLY 3 3.458 -2.034 -5.318
11 HA3 GLY 3 HA3 GLY 3 4.940 -1.084 -5.191
12 H CYS 4 H CYS 4 4.868 0.531 -3.631
13 HA CYS 4 HA CYS 4 2.366 1.980 -3.270
14 HB2 CYS 4 HB2 CYS 4 2.569 -0.067 -1.794
15 HB3 CYS 4 HB3 CYS 4 3.784 0.780 -0.872
16 H ASP 5 H ASP 5 2.691 3.683 -1.444
17 HA ASP 5 HA ASP 5 5.327 4.943 -1.493
18 HB2 ASP 5 HB2 ASP 5 2.624 6.271 -1.970
19 HB3 ASP 5 HB3 ASP 5 4.165 7.094 -1.754
20 H ASP 6 H ASP 6 5.450 6.457 0.318
21 HA ASP 6 HA ASP 6 4.331 5.359 2.728
22 HB2 ASP 6 HB2 ASP 6 5.813 6.658 3.815
23 HB3 ASP 6 HB3 ASP 6 6.611 6.689 2.240
24 H LYS 7 H LYS 7 3.401 7.886 0.509
25 HA LYS 7 HA LYS 7 1.753 9.532 2.078
26 HB2 LYS 7 HB2 LYS 7 1.434 8.615 -0.808
27 HB3 LYS 7 HB3 LYS 7 0.431 9.861 -0.080
28 HG2 LYS 7 HG2 LYS 7 3.463 10.040 -0.370
29 HG3 LYS 7 HG3 LYS 7 2.263 10.776 -1.442
30 HD2 LYS 7 HD2 LYS 7 1.361 11.988 0.642
31 HD3 LYS 7 HD3 LYS 7 2.832 11.429 1.453
32 HE2 LYS 7 HE2 LYS 7 3.113 13.719 0.700
33 HE3 LYS 7 HE3 LYS 7 4.220 12.671 -0.189
34 HZ1 LYS 7 HZ1 LYS 7 3.011 14.349 -1.555
35 HZ2 LYS 7 HZ2 LYS 7 1.603 13.525 -1.293
36 HZ3 LYS 7 HZ3 LYS 7 2.842 12.826 -2.095
37 H CYS 8 H CYS 8 1.241 6.259 1.006
38 HA CYS 8 HA CYS 8 -1.563 5.986 1.338
39 HB2 CYS 8 HB2 CYS 8 -0.197 4.354 0.204
40 HB3 CYS 8 HB3 CYS 8 0.753 4.079 1.673
41 H GLY 9 H GLY 9 1.092 6.147 3.730
42 HA2 GLY 9 HA2 GLY 9 0.879 6.469 6.012
43 HA3 GLY 9 HA3 GLY 9 -0.815 5.972 5.971
44 H CYS 10 H CYS 10 1.519 4.003 4.275
45 HA CYS 10 HA CYS 10 1.824 2.119 6.464
46 HB2 CYS 10 HB2 CYS 10 0.928 0.301 5.478
47 HB3 CYS 10 HB3 CYS 10 -0.244 1.480 4.932
48 H ALA 11 H ALA 11 3.533 0.614 5.946
49 HA ALA 11 HA ALA 11 5.759 1.705 4.824
50 HB1 ALA 11 HB1 ALA 11 5.701 -0.294 6.336
51 HB2 ALA 11 HB2 ALA 11 5.103 -1.277 4.983
52 HB3 ALA 11 HB3 ALA 11 6.715 -0.574 4.903
53 H VAL 12 H VAL 12 6.850 1.584 2.974
54 HA VAL 12 HA VAL 12 5.407 1.375 0.495
55 HB VAL 12 HB VAL 12 8.320 1.858 1.236
56 HG11 VAL 12 HG11 VAL 12 8.277 0.602 -0.896
57 HG12 VAL 12 HG12 VAL 12 7.054 1.707 -1.537
58 HG13 VAL 12 HG13 VAL 12 8.686 2.305 -1.153
59 HG21 VAL 12 HG21 VAL 12 6.718 3.688 1.694
60 HG22 VAL 12 HG22 VAL 12 7.798 4.103 0.351
61 HG23 VAL 12 HG23 VAL 12 6.140 3.576 0.024
62 HA PRO 13 HA PRO 13 7.935 -2.709 -0.020
63 HB2 PRO 13 HB2 PRO 13 9.096 -3.874 2.188
64 HB3 PRO 13 HB3 PRO 13 9.946 -2.741 1.090
65 HG2 PRO 13 HG2 PRO 13 8.603 -2.104 3.724
66 HG3 PRO 13 HG3 PRO 13 10.243 -1.630 3.167
67 HD2 PRO 13 HD2 PRO 13 8.201 0.058 2.967
68 HD3 PRO 13 HD3 PRO 13 9.361 -0.086 1.619
69 H CYS 14 H CYS 14 5.854 -3.273 -0.274
70 HA CYS 14 HA CYS 14 4.305 -4.246 2.051
71 HB2 CYS 14 HB2 CYS 14 3.634 -2.926 -0.457
72 HB3 CYS 14 HB3 CYS 14 2.584 -4.310 -0.069
73 HA PRO 15 HA PRO 15 5.330 -8.393 0.632
74 HB2 PRO 15 HB2 PRO 15 4.454 -9.820 2.771
75 HB3 PRO 15 HB3 PRO 15 5.890 -8.773 2.840
76 HG2 PRO 15 HG2 PRO 15 3.061 -8.126 3.727
77 HG3 PRO 15 HG3 PRO 15 4.578 -7.870 4.639
78 HD2 PRO 15 HD2 PRO 15 3.334 -5.910 3.164
79 HD3 PRO 15 HD3 PRO 15 5.101 -5.933 3.383
80 H GLY 16 H GLY 16 2.325 -6.918 0.588
81 HA2 GLY 16 HA2 GLY 16 1.104 -9.004 -0.913
82 HA3 GLY 16 HA3 GLY 16 0.361 -8.818 0.701
83 H GLY 17 H GLY 17 -1.056 -8.290 -1.557
84 HA2 GLY 17 HA2 GLY 17 -1.239 -5.325 -1.822
85 HA3 GLY 17 HA3 GLY 17 -1.786 -6.503 -3.005
86 H THR 18 H THR 18 -3.357 -8.322 -1.628
87 HA THR 18 HA THR 18 -5.671 -6.717 -0.974
88 HB THR 18 HB THR 18 -6.712 -8.997 -0.998
89 HG1 THR 18 HG1 THR 18 -5.415 -10.717 -1.639
90 HG21 THR 18 HG21 THR 18 -4.910 -8.562 -3.440
91 HG22 THR 18 HG22 THR 18 -6.375 -7.618 -3.121
92 HG23 THR 18 HG23 THR 18 -6.490 -9.362 -3.382
93 H GLY 19 H GLY 19 -3.528 -8.969 0.797
94 HA2 GLY 19 HA2 GLY 19 -5.200 -9.190 3.130
95 HA3 GLY 19 HA3 GLY 19 -3.501 -9.651 3.018
96 H CYS 20 H CYS 20 -2.821 -6.847 2.173
97 HA CYS 20 HA CYS 20 -2.289 -5.806 4.838
98 HB2 CYS 20 HB2 CYS 20 -0.680 -5.710 2.976
99 HB3 CYS 20 HB3 CYS 20 -1.787 -4.761 2.030
100 H ARG 21 H ARG 21 -2.894 -3.249 5.235
101 HA ARG 21 HA ARG 21 -5.812 -3.058 4.582
102 HB2 ARG 21 HB2 ARG 21 -6.123 -1.745 6.514
103 HB3 ARG 21 HB3 ARG 21 -5.427 -3.305 6.928
104 HG2 ARG 21 HG2 ARG 21 -3.327 -2.348 7.519
105 HG3 ARG 21 HG3 ARG 21 -3.644 -0.868 6.628
106 HD2 ARG 21 HD2 ARG 21 -3.889 -0.215 8.781
107 HD3 ARG 21 HD3 ARG 21 -5.569 -0.443 8.297
108 HE ARG 21 HE ARG 21 -4.938 -2.861 9.433
109 HH11 ARG 21 HH11 ARG 21 -4.776 0.480 10.596
110 HH12 ARG 21 HH12 ARG 21 -4.502 0.039 12.255
111 HH21 ARG 21 HH21 ARG 21 -4.717 -3.462 11.603
112 HH22 ARG 21 HH22 ARG 21 -4.481 -2.270 12.838
113 H CYS 22 H CYS 22 -4.131 -2.310 2.493
114 HA CYS 22 HA CYS 22 -3.681 0.581 2.552
115 HB2 CYS 22 HB2 CYS 22 -3.858 -1.413 0.255
116 HB3 CYS 22 HB3 CYS 22 -3.543 0.278 0.034
117 H THR 23 H THR 23 -6.416 -1.508 1.836
118 HA THR 23 HA THR 23 -8.426 -1.154 0.867
119 HB THR 23 HB THR 23 -9.688 0.642 2.183
120 HG1 THR 23 HG1 THR 23 -8.519 1.330 4.062
121 HG21 THR 23 HG21 THR 23 -9.625 -1.689 2.935
122 HG22 THR 23 HG22 THR 23 -9.445 -0.637 4.332
123 HG23 THR 23 HG23 THR 23 -8.022 -1.456 3.671
124 H SER 24 H SER 24 -6.949 -0.697 -1.075
125 HA SER 24 HA SER 24 -7.762 1.870 -2.339
126 HB2 SER 24 HB2 SER 24 -5.468 2.039 -1.478
127 HB3 SER 24 HB3 SER 24 -5.039 0.509 -2.246
128 HG SER 24 HG SER 24 -5.497 3.043 -3.399
129 H ALA 25 H ALA 25 -9.378 0.912 -3.509
130 HA ALA 25 HA ALA 25 -8.801 -1.501 -5.149
131 HB1 ALA 25 HB1 ALA 25 -11.240 -1.409 -5.630
132 HB2 ALA 25 HB2 ALA 25 -10.892 -1.570 -3.900
133 HB3 ALA 25 HB3 ALA 25 -11.394 0.006 -4.563
134 H ARG 26 H ARG 26 -7.389 -0.595 -6.647
135 HA ARG 26 HA ARG 26 -8.447 1.466 -8.495
136 HB2 ARG 26 HB2 ARG 26 -6.756 2.513 -7.039
137 HB3 ARG 26 HB3 ARG 26 -5.597 1.230 -7.404
138 HG2 ARG 26 HG2 ARG 26 -5.483 1.885 -9.728
139 HG3 ARG 26 HG3 ARG 26 -6.800 3.049 -9.541
140 HD2 ARG 26 HD2 ARG 26 -4.083 3.246 -8.163
141 HD3 ARG 26 HD3 ARG 26 -4.520 4.054 -9.676
142 HE ARG 26 HE ARG 26 -5.969 4.491 -7.100
143 HH11 ARG 26 HH11 ARG 26 -4.341 6.049 -9.886
144 HH12 ARG 26 HH12 ARG 26 -5.123 7.569 -9.613
145 HH21 ARG 26 HH21 ARG 26 -6.895 6.402 -6.762
146 HH22 ARG 26 HH22 ARG 26 -6.589 7.817 -7.729
Start of MODEL 10
1 H1 GLY 1 H GLY 1 2.316 -3.458 -9.320
2 HA2 GLY 1 HA2 GLY 1 2.206 -1.675 -10.954
3 HA3 GLY 1 HA3 GLY 1 1.443 -0.650 -9.719
4 H SER 2 H SER 2 3.082 0.937 -9.699
5 HA SER 2 HA SER 2 5.820 0.538 -9.636
6 HB2 SER 2 HB2 SER 2 5.916 2.873 -9.017
7 HB3 SER 2 HB3 SER 2 4.603 2.622 -10.159
8 HG SER 2 HG SER 2 4.505 3.123 -7.364
9 H GLY 3 H GLY 3 3.875 -0.565 -7.148
10 HA2 GLY 3 HA2 GLY 3 4.806 -1.697 -5.268
11 HA3 GLY 3 HA3 GLY 3 6.122 -0.498 -5.207
12 H CYS 4 H CYS 4 5.734 0.397 -3.152
13 HA CYS 4 HA CYS 4 3.299 2.021 -2.934
14 HB2 CYS 4 HB2 CYS 4 3.218 -0.284 -1.673
15 HB3 CYS 4 HB3 CYS 4 4.260 0.529 -0.492
16 H ASP 5 H ASP 5 3.614 3.618 -0.902
17 HA ASP 5 HA ASP 5 6.439 4.331 -0.525
18 HB2 ASP 5 HB2 ASP 5 4.289 6.207 -1.595
19 HB3 ASP 5 HB3 ASP 5 5.918 6.652 -1.064
20 H ASP 6 H ASP 6 6.546 5.893 1.264
21 HA ASP 6 HA ASP 6 4.915 5.171 3.458
22 HB2 ASP 6 HB2 ASP 6 6.207 6.648 4.696
23 HB3 ASP 6 HB3 ASP 6 7.294 6.120 3.419
24 H LYS 7 H LYS 7 4.676 7.830 1.180
25 HA LYS 7 HA LYS 7 2.998 9.647 2.455
26 HB2 LYS 7 HB2 LYS 7 2.693 8.812 -0.454
27 HB3 LYS 7 HB3 LYS 7 2.229 10.354 0.262
28 HG2 LYS 7 HG2 LYS 7 4.677 10.768 0.761
29 HG3 LYS 7 HG3 LYS 7 5.039 9.255 -0.085
30 HD2 LYS 7 HD2 LYS 7 5.379 10.652 -1.817
31 HD3 LYS 7 HD3 LYS 7 3.653 10.398 -2.061
32 HE2 LYS 7 HE2 LYS 7 3.227 12.524 -0.753
33 HE3 LYS 7 HE3 LYS 7 4.975 12.749 -0.621
34 HZ1 LYS 7 HZ1 LYS 7 3.365 12.733 -3.098
35 HZ2 LYS 7 HZ2 LYS 7 5.020 12.741 -3.094
36 HZ3 LYS 7 HZ3 LYS 7 4.154 14.002 -2.484
37 H CYS 8 H CYS 8 2.159 6.669 0.832
38 HA CYS 8 HA CYS 8 -0.610 6.840 0.817
39 HB2 CYS 8 HB2 CYS 8 0.106 5.106 -0.429
40 HB3 CYS 8 HB3 CYS 8 1.330 4.632 0.724
41 H GLY 9 H GLY 9 1.471 5.972 3.645
42 HA2 GLY 9 HA2 GLY 9 0.571 6.331 5.833
43 HA3 GLY 9 HA3 GLY 9 -1.040 5.931 5.284
44 H CYS 10 H CYS 10 1.839 3.947 4.550
45 HA CYS 10 HA CYS 10 1.467 2.091 6.651
46 HB2 CYS 10 HB2 CYS 10 0.494 0.323 5.563
47 HB3 CYS 10 HB3 CYS 10 -0.318 1.628 4.734
48 H ALA 11 H ALA 11 3.224 0.317 6.316
49 HA ALA 11 HA ALA 11 5.683 1.489 5.683
50 HB1 ALA 11 HB1 ALA 11 6.560 -0.831 5.755
51 HB2 ALA 11 HB2 ALA 11 5.462 -0.523 7.098
52 HB3 ALA 11 HB3 ALA 11 4.906 -1.464 5.690
53 H VAL 12 H VAL 12 7.154 1.157 4.012
54 HA VAL 12 HA VAL 12 6.053 1.177 1.357
55 HB VAL 12 HB VAL 12 8.926 1.231 2.372
56 HG11 VAL 12 HG11 VAL 12 7.860 1.775 -0.429
57 HG12 VAL 12 HG12 VAL 12 9.552 1.891 0.112
58 HG13 VAL 12 HG13 VAL 12 8.736 0.310 0.032
59 HG21 VAL 12 HG21 VAL 12 8.749 3.623 1.714
60 HG22 VAL 12 HG22 VAL 12 7.023 3.375 1.369
61 HG23 VAL 12 HG23 VAL 12 7.632 3.210 3.017
62 HA PRO 13 HA PRO 13 8.124 -3.090 0.882
63 HB2 PRO 13 HB2 PRO 13 9.036 -4.564 3.004
64 HB3 PRO 13 HB3 PRO 13 10.039 -3.350 2.168
65 HG2 PRO 13 HG2 PRO 13 8.384 -2.981 4.678
66 HG3 PRO 13 HG3 PRO 13 10.093 -2.538 4.432
67 HD2 PRO 13 HD2 PRO 13 8.157 -0.710 4.192
68 HD3 PRO 13 HD3 PRO 13 9.514 -0.717 3.051
69 H CYS 14 H CYS 14 6.004 -3.295 0.446
70 HA CYS 14 HA CYS 14 4.061 -4.159 2.434
71 HB2 CYS 14 HB2 CYS 14 4.064 -3.204 -0.393
72 HB3 CYS 14 HB3 CYS 14 2.741 -4.298 0.066
73 HA PRO 15 HA PRO 15 4.672 -8.466 1.349
74 HB2 PRO 15 HB2 PRO 15 3.012 -9.644 3.105
75 HB3 PRO 15 HB3 PRO 15 4.463 -8.752 3.668
76 HG2 PRO 15 HG2 PRO 15 1.611 -7.753 3.522
77 HG3 PRO 15 HG3 PRO 15 2.739 -7.651 4.901
78 HD2 PRO 15 HD2 PRO 15 2.364 -5.599 3.095
79 HD3 PRO 15 HD3 PRO 15 3.914 -5.865 3.932
80 H GLY 16 H GLY 16 1.859 -6.467 0.791
81 HA2 GLY 16 HA2 GLY 16 1.021 -8.057 -1.378
82 HA3 GLY 16 HA3 GLY 16 -0.105 -8.213 -0.024
83 H GLY 17 H GLY 17 -0.833 -7.133 -2.423
84 HA2 GLY 17 HA2 GLY 17 -1.105 -4.179 -2.028
85 HA3 GLY 17 HA3 GLY 17 -1.111 -5.005 -3.571
86 H THR 18 H THR 18 -3.142 -7.132 -2.098
87 HA THR 18 HA THR 18 -5.479 -5.367 -2.693
88 HB THR 18 HB THR 18 -5.502 -8.394 -2.587
89 HG1 THR 18 HG1 THR 18 -4.197 -7.775 -4.310
90 HG21 THR 18 HG21 THR 18 -7.679 -7.275 -2.268
91 HG22 THR 18 HG22 THR 18 -7.615 -8.040 -3.849
92 HG23 THR 18 HG23 THR 18 -7.394 -6.286 -3.715
93 H GLY 19 H GLY 19 -4.829 -8.174 -0.536
94 HA2 GLY 19 HA2 GLY 19 -6.725 -7.668 1.374
95 HA3 GLY 19 HA3 GLY 19 -5.227 -8.546 1.653
96 H CYS 20 H CYS 20 -3.525 -6.119 1.193
97 HA CYS 20 HA CYS 20 -3.344 -5.160 3.866
98 HB2 CYS 20 HB2 CYS 20 -1.545 -5.175 2.108
99 HB3 CYS 20 HB3 CYS 20 -2.378 -3.906 1.256
100 H ARG 21 H ARG 21 -3.650 -2.663 4.517
101 HA ARG 21 HA ARG 21 -6.297 -1.776 3.438
102 HB2 ARG 21 HB2 ARG 21 -6.382 -0.228 5.328
103 HB3 ARG 21 HB3 ARG 21 -6.452 -1.910 5.770
104 HG2 ARG 21 HG2 ARG 21 -4.450 -1.909 6.881
105 HG3 ARG 21 HG3 ARG 21 -3.755 -0.581 5.943
106 HD2 ARG 21 HD2 ARG 21 -6.058 -0.274 7.922
107 HD3 ARG 21 HD3 ARG 21 -4.357 -0.090 8.355
108 HE ARG 21 HE ARG 21 -4.171 1.714 6.693
109 HH11 ARG 21 HH11 ARG 21 -7.390 1.110 8.147
110 HH12 ARG 21 HH12 ARG 21 -8.000 2.657 7.703
111 HH21 ARG 21 HH21 ARG 21 -4.967 3.883 6.350
112 HH22 ARG 21 HH22 ARG 21 -6.628 4.218 6.711
113 H CYS 22 H CYS 22 -4.731 -1.437 1.486
114 HA CYS 22 HA CYS 22 -3.238 1.133 1.651
115 HB2 CYS 22 HB2 CYS 22 -3.494 -1.007 -0.437
116 HB3 CYS 22 HB3 CYS 22 -2.971 0.598 -0.862
117 H THR 23 H THR 23 -6.384 -0.001 0.794
118 HA THR 23 HA THR 23 -8.070 0.889 -0.338
119 HB THR 23 HB THR 23 -8.324 3.403 0.520
120 HG1 THR 23 HG1 THR 23 -7.219 3.872 2.245
121 HG21 THR 23 HG21 THR 23 -9.169 2.454 2.635
122 HG22 THR 23 HG22 THR 23 -8.252 0.955 2.331
123 HG23 THR 23 HG23 THR 23 -9.605 1.437 1.277
124 H SER 24 H SER 24 -5.792 0.723 -2.061
125 HA SER 24 HA SER 24 -6.535 2.767 -4.029
126 HB2 SER 24 HB2 SER 24 -4.467 3.551 -2.878
127 HB3 SER 24 HB3 SER 24 -3.664 2.028 -3.290
128 HG SER 24 HG SER 24 -4.817 3.727 -5.273
129 H ALA 25 H ALA 25 -5.781 1.986 -6.223
130 HA ALA 25 HA ALA 25 -5.804 0.482 -7.880
131 HB1 ALA 25 HB1 ALA 25 -3.738 -0.505 -6.969
132 HB2 ALA 25 HB2 ALA 25 -4.704 -1.600 -5.951
133 HB3 ALA 25 HB3 ALA 25 -4.799 -1.706 -7.714
134 H ARG 26 H ARG 26 -7.990 1.133 -7.397
135 HA ARG 26 HA ARG 26 -9.913 -0.985 -7.434
136 HB2 ARG 26 HB2 ARG 26 -9.903 1.088 -5.165
137 HB3 ARG 26 HB3 ARG 26 -11.393 0.422 -5.840
138 HG2 ARG 26 HG2 ARG 26 -10.570 -1.894 -5.298
139 HG3 ARG 26 HG3 ARG 26 -9.214 -1.150 -4.425
140 HD2 ARG 26 HD2 ARG 26 -10.725 -0.066 -2.865
141 HD3 ARG 26 HD3 ARG 26 -12.131 -0.537 -3.836
142 HE ARG 26 HE ARG 26 -10.697 -2.887 -3.013
143 HH11 ARG 26 HH11 ARG 26 -12.980 -0.457 -1.702
144 HH12 ARG 26 HH12 ARG 26 -13.841 -1.624 -0.784
145 HH21 ARG 26 HH21 ARG 26 -11.707 -4.315 -1.610
146 HH22 ARG 26 HH22 ARG 26 -13.175 -3.855 -0.783
Start of MODEL 11
1 H1 GLY 1 H GLY 1 3.750 1.232 -10.537
2 HA2 GLY 1 HA2 GLY 1 2.245 -0.216 -9.302
3 HA3 GLY 1 HA3 GLY 1 2.957 -1.122 -10.646
4 H SER 2 H SER 2 5.205 -2.089 -10.026
5 HA SER 2 HA SER 2 4.997 -4.093 -8.137
6 HB2 SER 2 HB2 SER 2 7.683 -3.908 -8.837
7 HB3 SER 2 HB3 SER 2 6.433 -4.729 -9.735
8 HG SER 2 HG SER 2 7.123 -1.995 -10.097
9 H GLY 3 H GLY 3 4.882 -1.289 -6.714
10 HA2 GLY 3 HA2 GLY 3 6.397 -2.070 -4.418
11 HA3 GLY 3 HA3 GLY 3 7.174 -0.732 -5.286
12 H CYS 4 H CYS 4 6.476 -0.085 -2.880
13 HA CYS 4 HA CYS 4 4.105 1.622 -3.176
14 HB2 CYS 4 HB2 CYS 4 3.774 -0.462 -1.650
15 HB3 CYS 4 HB3 CYS 4 4.803 0.443 -0.508
16 H ASP 5 H ASP 5 4.235 3.446 -1.428
17 HA ASP 5 HA ASP 5 7.008 4.251 -0.911
18 HB2 ASP 5 HB2 ASP 5 4.993 6.083 -2.247
19 HB3 ASP 5 HB3 ASP 5 6.717 6.335 -2.001
20 H ASP 6 H ASP 6 6.972 6.100 0.539
21 HA ASP 6 HA ASP 6 5.210 5.715 2.754
22 HB2 ASP 6 HB2 ASP 6 7.024 6.672 3.632
23 HB3 ASP 6 HB3 ASP 6 7.537 7.360 2.090
24 H LYS 7 H LYS 7 5.105 7.954 0.061
25 HA LYS 7 HA LYS 7 3.158 9.753 1.059
26 HB2 LYS 7 HB2 LYS 7 3.636 8.955 -1.849
27 HB3 LYS 7 HB3 LYS 7 2.815 10.413 -1.291
28 HG2 LYS 7 HG2 LYS 7 5.752 9.718 -0.824
29 HG3 LYS 7 HG3 LYS 7 5.133 10.901 -1.971
30 HD2 LYS 7 HD2 LYS 7 4.303 12.316 -0.178
31 HD3 LYS 7 HD3 LYS 7 4.716 11.108 1.046
32 HE2 LYS 7 HE2 LYS 7 7.119 11.460 -0.294
33 HE3 LYS 7 HE3 LYS 7 6.426 13.089 -0.280
34 HZ1 LYS 7 HZ1 LYS 7 6.224 12.944 2.095
35 HZ2 LYS 7 HZ2 LYS 7 7.753 12.616 1.654
36 HZ3 LYS 7 HZ3 LYS 7 6.775 11.365 2.109
37 H CYS 8 H CYS 8 2.707 6.554 -0.012
38 HA CYS 8 HA CYS 8 -0.122 6.816 -0.600
39 HB2 CYS 8 HB2 CYS 8 0.831 5.065 -1.704
40 HB3 CYS 8 HB3 CYS 8 1.838 4.588 -0.351
41 H GLY 9 H GLY 9 1.688 6.537 2.459
42 HA2 GLY 9 HA2 GLY 9 0.614 7.007 4.482
43 HA3 GLY 9 HA3 GLY 9 -0.927 6.546 3.822
44 H CYS 10 H CYS 10 2.013 4.512 3.788
45 HA CYS 10 HA CYS 10 1.399 2.993 6.088
46 HB2 CYS 10 HB2 CYS 10 0.666 1.021 5.178
47 HB3 CYS 10 HB3 CYS 10 -0.147 2.213 4.154
48 H ALA 11 H ALA 11 3.173 1.143 6.110
49 HA ALA 11 HA ALA 11 5.709 2.185 5.663
50 HB1 ALA 11 HB1 ALA 11 4.867 -0.750 5.732
51 HB2 ALA 11 HB2 ALA 11 6.509 -0.143 5.988
52 HB3 ALA 11 HB3 ALA 11 5.235 0.266 7.151
53 H VAL 12 H VAL 12 7.371 1.733 4.179
54 HA VAL 12 HA VAL 12 6.537 1.621 1.427
55 HB VAL 12 HB VAL 12 9.329 1.863 2.635
56 HG11 VAL 12 HG11 VAL 12 8.280 2.369 -0.170
57 HG12 VAL 12 HG12 VAL 12 9.932 2.647 0.396
58 HG13 VAL 12 HG13 VAL 12 9.289 0.990 0.288
59 HG21 VAL 12 HG21 VAL 12 9.070 4.255 1.989
60 HG22 VAL 12 HG22 VAL 12 7.367 3.918 1.627
61 HG23 VAL 12 HG23 VAL 12 7.965 3.776 3.283
62 HA PRO 13 HA PRO 13 8.839 -2.530 1.199
63 HB2 PRO 13 HB2 PRO 13 9.948 -3.805 3.313
64 HB3 PRO 13 HB3 PRO 13 10.788 -2.468 2.475
65 HG2 PRO 13 HG2 PRO 13 9.119 -2.294 5.015
66 HG3 PRO 13 HG3 PRO 13 10.765 -1.664 4.736
67 HD2 PRO 13 HD2 PRO 13 8.584 -0.092 4.465
68 HD3 PRO 13 HD3 PRO 13 10.007 0.066 3.389
69 H CYS 14 H CYS 14 6.540 -2.619 0.978
70 HA CYS 14 HA CYS 14 4.742 -3.571 3.013
71 HB2 CYS 14 HB2 CYS 14 4.778 -3.266 -0.002
72 HB3 CYS 14 HB3 CYS 14 3.417 -4.061 0.794
73 HA PRO 15 HA PRO 15 5.888 -7.859 2.727
74 HB2 PRO 15 HB2 PRO 15 3.819 -9.172 3.867
75 HB3 PRO 15 HB3 PRO 15 4.778 -7.967 4.785
76 HG2 PRO 15 HG2 PRO 15 2.174 -7.496 3.280
77 HG3 PRO 15 HG3 PRO 15 2.515 -7.154 5.006
78 HD2 PRO 15 HD2 PRO 15 2.778 -5.226 3.080
79 HD3 PRO 15 HD3 PRO 15 3.955 -5.324 4.432
80 H GLY 16 H GLY 16 3.286 -6.733 0.619
81 HA2 GLY 16 HA2 GLY 16 3.792 -8.809 -1.202
82 HA3 GLY 16 HA3 GLY 16 2.322 -9.213 -0.294
83 H GLY 17 H GLY 17 0.479 -7.854 -0.433
84 HA2 GLY 17 HA2 GLY 17 0.469 -5.460 -1.980
85 HA3 GLY 17 HA3 GLY 17 -0.038 -6.823 -2.977
86 H THR 18 H THR 18 -2.052 -7.588 -2.792
87 HA THR 18 HA THR 18 -4.188 -6.378 -2.042
88 HB THR 18 HB THR 18 -3.962 -9.391 -1.848
89 HG1 THR 18 HG1 THR 18 -3.886 -9.244 -4.202
90 HG21 THR 18 HG21 THR 18 -5.962 -7.484 -3.147
91 HG22 THR 18 HG22 THR 18 -6.232 -8.468 -1.695
92 HG23 THR 18 HG23 THR 18 -6.015 -9.267 -3.254
93 H GLY 19 H GLY 19 -2.550 -8.606 0.291
94 HA2 GLY 19 HA2 GLY 19 -4.656 -8.563 2.217
95 HA3 GLY 19 HA3 GLY 19 -2.959 -8.949 2.543
96 H CYS 20 H CYS 20 -2.041 -6.282 1.491
97 HA CYS 20 HA CYS 20 -2.178 -4.811 3.977
98 HB2 CYS 20 HB2 CYS 20 -0.328 -5.048 2.081
99 HB3 CYS 20 HB3 CYS 20 -1.252 -3.778 1.285
100 H ARG 21 H ARG 21 -2.984 -2.415 4.005
101 HA ARG 21 HA ARG 21 -5.520 -2.174 2.464
102 HB2 ARG 21 HB2 ARG 21 -4.448 -0.811 4.956
103 HB3 ARG 21 HB3 ARG 21 -5.905 -0.272 4.125
104 HG2 ARG 21 HG2 ARG 21 -5.604 -3.149 5.062
105 HG3 ARG 21 HG3 ARG 21 -6.142 -1.885 6.160
106 HD2 ARG 21 HD2 ARG 21 -7.541 -2.470 3.521
107 HD3 ARG 21 HD3 ARG 21 -7.966 -3.255 5.046
108 HE ARG 21 HE ARG 21 -8.024 -0.541 5.623
109 HH11 ARG 21 HH11 ARG 21 -9.848 -2.631 3.329
110 HH12 ARG 21 HH12 ARG 21 -11.263 -1.654 3.446
111 HH21 ARG 21 HH21 ARG 21 -9.875 0.652 5.766
112 HH22 ARG 21 HH22 ARG 21 -11.285 0.306 4.834
113 H CYS 22 H CYS 22 -3.835 -1.974 0.677
114 HA CYS 22 HA CYS 22 -2.751 0.839 0.408
115 HB2 CYS 22 HB2 CYS 22 -2.199 -1.706 -1.100
116 HB3 CYS 22 HB3 CYS 22 -1.883 -0.164 -1.817
117 H THR 23 H THR 23 -4.648 -1.679 -1.405
118 HA THR 23 HA THR 23 -5.705 0.346 -3.207
119 HB THR 23 HB THR 23 -7.164 -1.908 -3.668
120 HG1 THR 23 HG1 THR 23 -6.198 -3.299 -2.218
121 HG21 THR 23 HG21 THR 23 -5.509 -2.438 -5.409
122 HG22 THR 23 HG22 THR 23 -4.279 -1.462 -4.576
123 HG23 THR 23 HG23 THR 23 -5.716 -0.688 -5.278
124 H SER 24 H SER 24 -6.794 1.820 -1.998
125 HA SER 24 HA SER 24 -9.305 1.104 -0.836
126 HB2 SER 24 HB2 SER 24 -8.655 2.518 1.257
127 HB3 SER 24 HB3 SER 24 -8.330 0.785 1.216
128 HG SER 24 HG SER 24 -6.663 2.362 1.965
129 H ALA 25 H ALA 25 -9.559 2.169 -2.913
130 HA ALA 25 HA ALA 25 -9.395 5.137 -2.769
131 HB1 ALA 25 HB1 ALA 25 -8.980 5.113 -5.229
132 HB2 ALA 25 HB2 ALA 25 -7.661 4.325 -4.328
133 HB3 ALA 25 HB3 ALA 25 -8.867 3.349 -5.192
134 H ARG 26 H ARG 26 -11.590 5.183 -1.992
135 HA ARG 26 HA ARG 26 -13.600 4.786 -4.016
136 HB2 ARG 26 HB2 ARG 26 -12.978 2.534 -2.564
137 HB3 ARG 26 HB3 ARG 26 -14.120 3.278 -1.463
138 HG2 ARG 26 HG2 ARG 26 -14.720 2.742 -4.413
139 HG3 ARG 26 HG3 ARG 26 -14.877 1.520 -3.153
140 HD2 ARG 26 HD2 ARG 26 -16.409 3.186 -1.915
141 HD3 ARG 26 HD3 ARG 26 -16.491 4.053 -3.461
142 HE ARG 26 HE ARG 26 -17.638 2.284 -4.421
143 HH11 ARG 26 HH11 ARG 26 -16.465 1.191 -1.200
144 HH12 ARG 26 HH12 ARG 26 -17.384 -0.270 -1.270
145 HH21 ARG 26 HH21 ARG 26 -18.903 0.372 -4.391
146 HH22 ARG 26 HH22 ARG 26 -18.804 -0.729 -3.080
Start of MODEL 12
1 H1 GLY 1 H GLY 1 6.743 -7.268 -9.930
2 HA2 GLY 1 HA2 GLY 1 8.016 -5.332 -9.013
3 HA3 GLY 1 HA3 GLY 1 6.526 -4.875 -9.869
4 H SER 2 H SER 2 7.809 -5.601 -6.576
5 HA SER 2 HA SER 2 5.528 -4.427 -5.246
6 HB2 SER 2 HB2 SER 2 6.643 -5.010 -3.237
7 HB3 SER 2 HB3 SER 2 6.838 -6.347 -4.355
8 HG SER 2 HG SER 2 8.913 -6.103 -4.232
9 H GLY 3 H GLY 3 7.108 -2.947 -3.175
10 HA2 GLY 3 HA2 GLY 3 8.204 -0.970 -2.861
11 HA3 GLY 3 HA3 GLY 3 8.286 -0.684 -4.601
12 H CYS 4 H CYS 4 7.219 0.882 -2.060
13 HA CYS 4 HA CYS 4 4.938 2.099 -3.416
14 HB2 CYS 4 HB2 CYS 4 4.317 0.145 -1.830
15 HB3 CYS 4 HB3 CYS 4 4.740 1.223 -0.502
16 H ASP 5 H ASP 5 4.151 3.945 -1.708
17 HA ASP 5 HA ASP 5 6.538 5.312 -0.569
18 HB2 ASP 5 HB2 ASP 5 4.100 6.662 -1.773
19 HB3 ASP 5 HB3 ASP 5 5.627 7.376 -1.242
20 H ASP 6 H ASP 6 5.896 6.725 1.219
21 HA ASP 6 HA ASP 6 3.753 5.585 2.857
22 HB2 ASP 6 HB2 ASP 6 5.714 6.542 3.990
23 HB3 ASP 6 HB3 ASP 6 5.314 8.150 3.340
24 H LYS 7 H LYS 7 4.038 8.038 0.469
25 HA LYS 7 HA LYS 7 1.885 9.807 0.920
26 HB2 LYS 7 HB2 LYS 7 2.966 8.711 -1.718
27 HB3 LYS 7 HB3 LYS 7 2.028 10.185 -1.502
28 HG2 LYS 7 HG2 LYS 7 3.823 11.147 -0.109
29 HG3 LYS 7 HG3 LYS 7 4.826 9.713 -0.397
30 HD2 LYS 7 HD2 LYS 7 4.877 10.143 -2.777
31 HD3 LYS 7 HD3 LYS 7 3.662 11.439 -2.621
32 HE2 LYS 7 HE2 LYS 7 5.218 12.696 -1.135
33 HE3 LYS 7 HE3 LYS 7 6.474 11.472 -1.421
34 HZ1 LYS 7 HZ1 LYS 7 6.664 13.416 -2.855
35 HZ2 LYS 7 HZ2 LYS 7 5.213 13.119 -3.530
36 HZ3 LYS 7 HZ3 LYS 7 6.503 12.062 -3.708
37 H CYS 8 H CYS 8 1.858 6.489 0.058
38 HA CYS 8 HA CYS 8 -0.801 6.425 -1.179
39 HB2 CYS 8 HB2 CYS 8 0.904 4.810 -1.801
40 HB3 CYS 8 HB3 CYS 8 1.121 4.338 -0.109
41 H GLY 9 H GLY 9 0.467 6.566 2.106
42 HA2 GLY 9 HA2 GLY 9 -0.799 6.728 4.041
43 HA3 GLY 9 HA3 GLY 9 -2.233 6.177 3.186
44 H CYS 10 H CYS 10 0.744 4.373 2.812
45 HA CYS 10 HA CYS 10 0.057 2.371 4.824
46 HB2 CYS 10 HB2 CYS 10 -0.291 0.615 3.475
47 HB3 CYS 10 HB3 CYS 10 -1.039 1.832 2.493
48 H ALA 11 H ALA 11 1.921 0.986 5.221
49 HA ALA 11 HA ALA 11 4.324 2.399 5.170
50 HB1 ALA 11 HB1 ALA 11 4.375 -0.621 5.247
51 HB2 ALA 11 HB2 ALA 11 5.324 0.540 6.166
52 HB3 ALA 11 HB3 ALA 11 3.621 0.291 6.580
53 H VAL 12 H VAL 12 6.161 2.242 4.090
54 HA VAL 12 HA VAL 12 6.117 1.924 1.264
55 HB VAL 12 HB VAL 12 8.235 2.540 3.343
56 HG11 VAL 12 HG11 VAL 12 8.600 2.425 0.327
57 HG12 VAL 12 HG12 VAL 12 9.728 3.182 1.467
58 HG13 VAL 12 HG13 VAL 12 9.441 1.440 1.533
59 HG21 VAL 12 HG21 VAL 12 6.846 4.175 1.207
60 HG22 VAL 12 HG22 VAL 12 6.435 4.240 2.914
61 HG23 VAL 12 HG23 VAL 12 8.028 4.804 2.363
62 HA PRO 13 HA PRO 13 8.507 -2.126 1.848
63 HB2 PRO 13 HB2 PRO 13 9.210 -3.198 4.219
64 HB3 PRO 13 HB3 PRO 13 10.105 -1.798 3.564
65 HG2 PRO 13 HG2 PRO 13 7.816 -1.757 5.572
66 HG3 PRO 13 HG3 PRO 13 9.430 -1.002 5.730
67 HD2 PRO 13 HD2 PRO 13 7.275 0.381 4.830
68 HD3 PRO 13 HD3 PRO 13 8.912 0.663 4.160
69 H CYS 14 H CYS 14 6.074 -1.952 1.422
70 HA CYS 14 HA CYS 14 4.138 -3.229 3.058
71 HB2 CYS 14 HB2 CYS 14 3.816 -1.582 1.191
72 HB3 CYS 14 HB3 CYS 14 4.210 -2.881 0.047
73 HA PRO 15 HA PRO 15 5.797 -7.344 2.115
74 HB2 PRO 15 HB2 PRO 15 4.241 -8.897 3.733
75 HB3 PRO 15 HB3 PRO 15 5.519 -7.807 4.371
76 HG2 PRO 15 HG2 PRO 15 2.547 -7.238 4.151
77 HG3 PRO 15 HG3 PRO 15 3.607 -7.039 5.583
78 HD2 PRO 15 HD2 PRO 15 3.011 -4.964 3.907
79 HD3 PRO 15 HD3 PRO 15 4.626 -5.115 4.656
80 H GLY 16 H GLY 16 2.532 -6.208 1.420
81 HA2 GLY 16 HA2 GLY 16 2.301 -8.357 -0.595
82 HA3 GLY 16 HA3 GLY 16 0.979 -8.144 0.555
83 H GLY 17 H GLY 17 1.499 -7.682 -2.406
84 HA2 GLY 17 HA2 GLY 17 0.755 -4.851 -2.836
85 HA3 GLY 17 HA3 GLY 17 1.248 -6.038 -4.053
86 H THR 18 H THR 18 -0.507 -8.204 -2.984
87 HA THR 18 HA THR 18 -3.098 -7.274 -4.057
88 HB THR 18 HB THR 18 -3.447 -9.868 -3.982
89 HG1 THR 18 HG1 THR 18 -1.529 -11.010 -4.159
90 HG21 THR 18 HG21 THR 18 -3.196 -8.517 -6.024
91 HG22 THR 18 HG22 THR 18 -2.363 -10.069 -6.180
92 HG23 THR 18 HG23 THR 18 -1.420 -8.594 -5.883
93 H GLY 19 H GLY 19 -1.830 -9.184 -1.231
94 HA2 GLY 19 HA2 GLY 19 -4.287 -9.276 0.092
95 HA3 GLY 19 HA3 GLY 19 -2.711 -9.455 0.874
96 H CYS 20 H CYS 20 -2.100 -6.568 -0.031
97 HA CYS 20 HA CYS 20 -3.148 -5.274 2.387
98 HB2 CYS 20 HB2 CYS 20 -0.819 -4.983 1.701
99 HB3 CYS 20 HB3 CYS 20 -1.281 -4.440 0.136
100 H ARG 21 H ARG 21 -3.851 -2.762 1.825
101 HA ARG 21 HA ARG 21 -6.105 -2.866 -0.102
102 HB2 ARG 21 HB2 ARG 21 -5.717 -1.318 2.489
103 HB3 ARG 21 HB3 ARG 21 -7.100 -1.155 1.403
104 HG2 ARG 21 HG2 ARG 21 -7.756 -3.477 1.802
105 HG3 ARG 21 HG3 ARG 21 -6.317 -3.775 2.775
106 HD2 ARG 21 HD2 ARG 21 -8.446 -1.744 3.468
107 HD3 ARG 21 HD3 ARG 21 -8.381 -3.397 4.127
108 HE ARG 21 HE ARG 21 -5.877 -2.158 4.506
109 HH11 ARG 21 HH11 ARG 21 -9.236 -1.985 5.847
110 HH12 ARG 21 HH12 ARG 21 -8.707 -1.182 7.268
111 HH21 ARG 21 HH21 ARG 21 -5.275 -1.103 6.453
112 HH22 ARG 21 HH22 ARG 21 -6.471 -0.550 7.569
113 H CYS 22 H CYS 22 -4.314 -2.395 -1.593
114 HA CYS 22 HA CYS 22 -3.207 0.389 -1.472
115 HB2 CYS 22 HB2 CYS 22 -2.391 -1.963 -3.153
116 HB3 CYS 22 HB3 CYS 22 -2.049 -0.337 -3.628
117 H THR 23 H THR 23 -5.176 -1.750 -3.595
118 HA THR 23 HA THR 23 -5.734 0.329 -5.481
119 HB THR 23 HB THR 23 -7.423 -1.431 -6.223
120 HG1 THR 23 HG1 THR 23 -7.807 -2.991 -4.960
121 HG21 THR 23 HG21 THR 23 -4.553 -2.398 -5.768
122 HG22 THR 23 HG22 THR 23 -5.132 -1.419 -7.142
123 HG23 THR 23 HG23 THR 23 -5.726 -3.075 -6.916
124 H SER 24 H SER 24 -6.745 0.173 -2.302
125 HA SER 24 HA SER 24 -9.440 0.494 -2.204
126 HB2 SER 24 HB2 SER 24 -8.776 1.963 -0.141
127 HB3 SER 24 HB3 SER 24 -8.340 0.250 -0.179
128 HG SER 24 HG SER 24 -6.699 1.993 0.371
129 H ALA 25 H ALA 25 -10.770 1.790 -3.115
130 HA ALA 25 HA ALA 25 -10.076 4.614 -3.764
131 HB1 ALA 25 HB1 ALA 25 -11.742 4.431 -5.537
132 HB2 ALA 25 HB2 ALA 25 -10.523 3.150 -5.718
133 HB3 ALA 25 HB3 ALA 25 -12.125 2.765 -5.062
134 H ARG 26 H ARG 26 -10.804 5.675 -1.794
135 HA ARG 26 HA ARG 26 -13.674 5.536 -1.322
136 HB2 ARG 26 HB2 ARG 26 -12.707 3.830 0.208
137 HB3 ARG 26 HB3 ARG 26 -11.723 5.100 0.972
138 HG2 ARG 26 HG2 ARG 26 -13.706 6.237 1.756
139 HG3 ARG 26 HG3 ARG 26 -14.749 5.309 0.672
140 HD2 ARG 26 HD2 ARG 26 -15.182 4.306 2.705
141 HD3 ARG 26 HD3 ARG 26 -14.002 3.225 1.986
142 HE ARG 26 HE ARG 26 -12.350 3.919 3.472
143 HH11 ARG 26 HH11 ARG 26 -15.391 5.728 4.014
144 HH12 ARG 26 HH12 ARG 26 -14.922 6.349 5.552
145 HH21 ARG 26 HH21 ARG 26 -11.768 4.732 5.661
146 HH22 ARG 26 HH22 ARG 26 -12.722 6.023 6.282
Start of MODEL 13
1 H1 GLY 1 H GLY 1 12.065 -0.198 -4.804
2 HA2 GLY 1 HA2 GLY 1 10.014 1.837 -5.478
3 HA3 GLY 1 HA3 GLY 1 11.360 1.395 -6.569
4 H SER 2 H SER 2 9.019 1.069 -7.717
5 HA SER 2 HA SER 2 7.492 -0.277 -8.606
6 HB2 SER 2 HB2 SER 2 9.860 -1.061 -9.414
7 HB3 SER 2 HB3 SER 2 9.475 -2.542 -8.525
8 HG SER 2 HG SER 2 8.710 -2.735 -10.629
9 H GLY 3 H GLY 3 6.576 -0.002 -6.268
10 HA2 GLY 3 HA2 GLY 3 5.237 -2.474 -5.643
11 HA3 GLY 3 HA3 GLY 3 6.420 -2.029 -4.387
12 H CYS 4 H CYS 4 6.132 -0.014 -3.221
13 HA CYS 4 HA CYS 4 3.699 1.517 -3.783
14 HB2 CYS 4 HB2 CYS 4 3.317 -0.498 -2.296
15 HB3 CYS 4 HB3 CYS 4 4.235 0.333 -1.029
16 H ASP 5 H ASP 5 3.453 3.256 -2.012
17 HA ASP 5 HA ASP 5 5.988 4.441 -1.104
18 HB2 ASP 5 HB2 ASP 5 3.955 5.838 -2.907
19 HB3 ASP 5 HB3 ASP 5 5.388 6.578 -2.174
20 H ASP 6 H ASP 6 5.359 6.535 0.108
21 HA ASP 6 HA ASP 6 3.653 5.977 2.277
22 HB2 ASP 6 HB2 ASP 6 4.252 8.195 3.030
23 HB3 ASP 6 HB3 ASP 6 5.682 7.486 2.281
24 H LYS 7 H LYS 7 3.149 7.704 -0.744
25 HA LYS 7 HA LYS 7 0.844 9.190 -0.124
26 HB2 LYS 7 HB2 LYS 7 1.700 7.930 -2.757
27 HB3 LYS 7 HB3 LYS 7 0.436 9.158 -2.573
28 HG2 LYS 7 HG2 LYS 7 2.071 10.699 -1.534
29 HG3 LYS 7 HG3 LYS 7 3.363 9.514 -1.743
30 HD2 LYS 7 HD2 LYS 7 3.178 9.598 -4.131
31 HD3 LYS 7 HD3 LYS 7 1.768 10.660 -4.067
32 HE2 LYS 7 HE2 LYS 7 4.520 11.387 -2.939
33 HE3 LYS 7 HE3 LYS 7 3.991 11.776 -4.570
34 HZ1 LYS 7 HZ1 LYS 7 2.175 13.097 -3.591
35 HZ2 LYS 7 HZ2 LYS 7 3.656 13.642 -3.186
36 HZ3 LYS 7 HZ3 LYS 7 2.763 12.804 -2.088
37 H CYS 8 H CYS 8 1.156 5.775 -0.726
38 HA CYS 8 HA CYS 8 -1.668 5.318 -1.199
39 HB2 CYS 8 HB2 CYS 8 -0.050 3.875 -2.106
40 HB3 CYS 8 HB3 CYS 8 0.606 3.512 -0.536
41 H GLY 9 H GLY 9 0.088 5.949 1.776
42 HA2 GLY 9 HA2 GLY 9 -0.722 6.200 3.859
43 HA3 GLY 9 HA3 GLY 9 -2.317 5.717 3.286
44 H CYS 10 H CYS 10 0.722 3.772 3.223
45 HA CYS 10 HA CYS 10 -0.078 2.228 5.492
46 HB2 CYS 10 HB2 CYS 10 -0.632 0.291 4.478
47 HB3 CYS 10 HB3 CYS 10 -1.355 1.383 3.293
48 H ALA 11 H ALA 11 1.615 0.422 5.834
49 HA ALA 11 HA ALA 11 4.204 1.267 5.766
50 HB1 ALA 11 HB1 ALA 11 3.401 -0.714 7.020
51 HB2 ALA 11 HB2 ALA 11 3.283 -1.632 5.499
52 HB3 ALA 11 HB3 ALA 11 4.862 -1.083 6.091
53 H VAL 12 H VAL 12 5.673 1.644 4.253
54 HA VAL 12 HA VAL 12 5.170 1.280 1.466
55 HB VAL 12 HB VAL 12 7.569 2.318 3.008
56 HG11 VAL 12 HG11 VAL 12 8.414 1.374 0.878
57 HG12 VAL 12 HG12 VAL 12 7.135 2.217 -0.018
58 HG13 VAL 12 HG13 VAL 12 8.407 3.141 0.814
59 HG21 VAL 12 HG21 VAL 12 6.744 4.461 2.066
60 HG22 VAL 12 HG22 VAL 12 5.400 3.576 1.306
61 HG23 VAL 12 HG23 VAL 12 5.511 3.677 3.067
62 HA PRO 13 HA PRO 13 8.310 -2.322 1.432
63 HB2 PRO 13 HB2 PRO 13 9.711 -3.127 3.628
64 HB3 PRO 13 HB3 PRO 13 10.183 -1.664 2.719
65 HG2 PRO 13 HG2 PRO 13 8.452 -1.795 5.214
66 HG3 PRO 13 HG3 PRO 13 9.915 -0.798 4.938
67 HD2 PRO 13 HD2 PRO 13 7.461 0.224 4.545
68 HD3 PRO 13 HD3 PRO 13 8.814 0.609 3.440
69 H CYS 14 H CYS 14 5.886 -2.576 1.552
70 HA CYS 14 HA CYS 14 4.463 -3.807 3.580
71 HB2 CYS 14 HB2 CYS 14 4.010 -2.777 1.044
72 HB3 CYS 14 HB3 CYS 14 3.594 -4.487 0.834
73 HA PRO 15 HA PRO 15 6.079 -7.948 3.431
74 HB2 PRO 15 HB2 PRO 15 4.193 -9.290 4.909
75 HB3 PRO 15 HB3 PRO 15 5.454 -8.215 5.596
76 HG2 PRO 15 HG2 PRO 15 2.563 -7.578 5.057
77 HG3 PRO 15 HG3 PRO 15 3.560 -7.163 6.487
78 HD2 PRO 15 HD2 PRO 15 3.087 -5.398 4.440
79 HD3 PRO 15 HD3 PRO 15 4.620 -5.401 5.371
80 H GLY 16 H GLY 16 2.704 -7.269 2.391
81 HA2 GLY 16 HA2 GLY 16 3.089 -9.116 0.129
82 HA3 GLY 16 HA3 GLY 16 1.719 -9.378 1.218
83 H GLY 17 H GLY 17 1.145 -8.768 -1.411
84 HA2 GLY 17 HA2 GLY 17 0.036 -6.005 -1.279
85 HA3 GLY 17 HA3 GLY 17 0.918 -6.557 -2.699
86 H THR 18 H THR 18 -0.921 -9.077 -1.201
87 HA THR 18 HA THR 18 -3.159 -8.652 -3.125
88 HB THR 18 HB THR 18 -2.045 -11.284 -2.073
89 HG1 THR 18 HG1 THR 18 -0.471 -10.363 -3.356
90 HG21 THR 18 HG21 THR 18 -4.283 -11.568 -2.893
91 HG22 THR 18 HG22 THR 18 -3.214 -12.155 -4.149
92 HG23 THR 18 HG23 THR 18 -3.977 -10.567 -4.328
93 H GLY 19 H GLY 19 -2.283 -9.869 0.185
94 HA2 GLY 19 HA2 GLY 19 -5.082 -9.953 1.003
95 HA3 GLY 19 HA3 GLY 19 -3.663 -10.291 1.969
96 H CYS 20 H CYS 20 -2.514 -7.603 1.108
97 HA CYS 20 HA CYS 20 -3.316 -5.986 3.350
98 HB2 CYS 20 HB2 CYS 20 -1.070 -6.004 2.234
99 HB3 CYS 20 HB3 CYS 20 -1.786 -5.275 0.808
100 H ARG 21 H ARG 21 -3.936 -3.406 2.865
101 HA ARG 21 HA ARG 21 -6.230 -3.530 0.984
102 HB2 ARG 21 HB2 ARG 21 -7.192 -1.703 2.368
103 HB3 ARG 21 HB3 ARG 21 -7.231 -3.320 3.041
104 HG2 ARG 21 HG2 ARG 21 -4.977 -1.510 3.832
105 HG3 ARG 21 HG3 ARG 21 -6.561 -1.203 4.517
106 HD2 ARG 21 HD2 ARG 21 -6.683 -3.341 5.557
107 HD3 ARG 21 HD3 ARG 21 -5.364 -3.971 4.574
108 HE ARG 21 HE ARG 21 -4.700 -1.753 6.395
109 HH11 ARG 21 HH11 ARG 21 -4.792 -5.330 5.959
110 HH12 ARG 21 HH12 ARG 21 -3.665 -5.618 7.221
111 HH21 ARG 21 HH21 ARG 21 -3.060 -2.210 8.024
112 HH22 ARG 21 HH22 ARG 21 -2.648 -3.869 8.319
113 H CYS 22 H CYS 22 -4.180 -3.263 -0.447
114 HA CYS 22 HA CYS 22 -3.255 -0.456 -0.512
115 HB2 CYS 22 HB2 CYS 22 -2.411 -2.938 -2.002
116 HB3 CYS 22 HB3 CYS 22 -2.062 -1.334 -2.595
117 H THR 23 H THR 23 -5.792 -2.367 -2.060
118 HA THR 23 HA THR 23 -6.147 -0.196 -4.004
119 HB THR 23 HB THR 23 -8.042 -1.756 -4.706
120 HG1 THR 23 HG1 THR 23 -8.375 -3.065 -3.109
121 HG21 THR 23 HG21 THR 23 -5.153 -2.776 -4.757
122 HG22 THR 23 HG22 THR 23 -5.912 -1.679 -5.911
123 HG23 THR 23 HG23 THR 23 -6.469 -3.356 -5.794
124 H SER 24 H SER 24 -6.706 1.559 -2.751
125 HA SER 24 HA SER 24 -9.214 1.472 -1.313
126 HB2 SER 24 HB2 SER 24 -7.386 0.666 0.310
127 HB3 SER 24 HB3 SER 24 -6.715 2.285 0.243
128 HG SER 24 HG SER 24 -9.455 1.996 0.813
129 H ALA 25 H ALA 25 -9.854 2.896 -2.903
130 HA ALA 25 HA ALA 25 -8.681 5.610 -2.906
131 HB1 ALA 25 HB1 ALA 25 -9.487 4.005 -5.366
132 HB2 ALA 25 HB2 ALA 25 -9.125 5.743 -5.328
133 HB3 ALA 25 HB3 ALA 25 -7.852 4.568 -4.941
134 H ARG 26 H ARG 26 -10.289 7.273 -3.174
135 HA ARG 26 HA ARG 26 -13.011 6.796 -3.776
136 HB2 ARG 26 HB2 ARG 26 -13.960 7.300 -1.579
137 HB3 ARG 26 HB3 ARG 26 -13.026 5.818 -1.501
138 HG2 ARG 26 HG2 ARG 26 -12.110 6.702 0.364
139 HG3 ARG 26 HG3 ARG 26 -11.087 7.612 -0.726
140 HD2 ARG 26 HD2 ARG 26 -11.976 9.146 0.893
141 HD3 ARG 26 HD3 ARG 26 -12.785 9.482 -0.640
142 HE ARG 26 HE ARG 26 -14.783 8.687 0.169
143 HH11 ARG 26 HH11 ARG 26 -12.287 8.114 2.717
144 HH12 ARG 26 HH12 ARG 26 -13.451 7.666 3.888
145 HH21 ARG 26 HH21 ARG 26 -16.217 8.045 1.664
146 HH22 ARG 26 HH22 ARG 26 -15.798 7.621 3.291
Start of MODEL 14
1 H1 GLY 1 H GLY 1 10.960 -4.278 -8.258
2 HA2 GLY 1 HA2 GLY 1 11.532 -2.197 -10.299
3 HA3 GLY 1 HA3 GLY 1 10.180 -3.329 -10.412
4 H SER 2 H SER 2 8.369 -2.097 -10.158
5 HA SER 2 HA SER 2 8.183 0.180 -8.449
6 HB2 SER 2 HB2 SER 2 5.969 -1.562 -9.625
7 HB3 SER 2 HB3 SER 2 5.833 0.122 -9.090
8 HG SER 2 HG SER 2 6.125 -0.256 -11.415
9 H GLY 3 H GLY 3 6.094 0.126 -6.814
10 HA2 GLY 3 HA2 GLY 3 5.594 -2.203 -5.321
11 HA3 GLY 3 HA3 GLY 3 6.990 -1.400 -4.580
12 H CYS 4 H CYS 4 6.554 0.366 -3.171
13 HA CYS 4 HA CYS 4 4.114 1.887 -3.627
14 HB2 CYS 4 HB2 CYS 4 3.763 -0.276 -2.261
15 HB3 CYS 4 HB3 CYS 4 4.484 0.577 -0.905
16 H ASP 5 H ASP 5 3.756 3.555 -1.705
17 HA ASP 5 HA ASP 5 6.291 4.632 -0.726
18 HB2 ASP 5 HB2 ASP 5 3.987 6.154 -1.966
19 HB3 ASP 5 HB3 ASP 5 5.501 6.836 -1.351
20 H ASP 6 H ASP 6 5.720 6.120 1.067
21 HA ASP 6 HA ASP 6 3.685 4.964 2.766
22 HB2 ASP 6 HB2 ASP 6 5.185 5.580 4.233
23 HB3 ASP 6 HB3 ASP 6 6.050 6.586 3.104
24 H LYS 7 H LYS 7 3.900 7.738 0.652
25 HA LYS 7 HA LYS 7 1.881 9.409 1.520
26 HB2 LYS 7 HB2 LYS 7 1.684 10.221 -0.676
27 HB3 LYS 7 HB3 LYS 7 3.356 9.667 -0.492
28 HG2 LYS 7 HG2 LYS 7 2.414 7.486 -1.678
29 HG3 LYS 7 HG3 LYS 7 1.107 8.554 -2.183
30 HD2 LYS 7 HD2 LYS 7 2.777 10.107 -3.168
31 HD3 LYS 7 HD3 LYS 7 4.083 9.015 -2.674
32 HE2 LYS 7 HE2 LYS 7 2.986 7.221 -4.113
33 HE3 LYS 7 HE3 LYS 7 1.869 8.474 -4.698
34 HZ1 LYS 7 HZ1 LYS 7 3.896 9.711 -5.420
35 HZ2 LYS 7 HZ2 LYS 7 3.692 8.253 -6.206
36 HZ3 LYS 7 HZ3 LYS 7 4.809 8.434 -5.009
37 H CYS 8 H CYS 8 1.597 6.407 -0.037
38 HA CYS 8 HA CYS 8 -1.084 6.175 -0.800
39 HB2 CYS 8 HB2 CYS 8 0.545 4.461 -1.231
40 HB3 CYS 8 HB3 CYS 8 0.776 4.160 0.497
41 H GLY 9 H GLY 9 0.378 5.660 2.463
42 HA2 GLY 9 HA2 GLY 9 -0.865 6.282 4.428
43 HA3 GLY 9 HA3 GLY 9 -2.333 5.571 3.731
44 H CYS 10 H CYS 10 0.646 3.829 3.099
45 HA CYS 10 HA CYS 10 0.263 1.968 5.315
46 HB2 CYS 10 HB2 CYS 10 0.347 0.075 3.929
47 HB3 CYS 10 HB3 CYS 10 -0.926 1.094 3.325
48 H ALA 11 H ALA 11 2.232 0.985 5.902
49 HA ALA 11 HA ALA 11 4.556 2.404 5.580
50 HB1 ALA 11 HB1 ALA 11 4.285 -0.598 6.102
51 HB2 ALA 11 HB2 ALA 11 5.679 0.422 6.516
52 HB3 ALA 11 HB3 ALA 11 4.130 0.690 7.323
53 H VAL 12 H VAL 12 6.262 2.409 4.249
54 HA VAL 12 HA VAL 12 6.031 1.792 1.543
55 HB VAL 12 HB VAL 12 8.489 2.371 3.241
56 HG11 VAL 12 HG11 VAL 12 9.601 2.982 1.119
57 HG12 VAL 12 HG12 VAL 12 9.200 1.260 1.143
58 HG13 VAL 12 HG13 VAL 12 8.195 2.383 0.207
59 HG21 VAL 12 HG21 VAL 12 6.718 4.149 3.127
60 HG22 VAL 12 HG22 VAL 12 8.227 4.627 2.336
61 HG23 VAL 12 HG23 VAL 12 6.845 4.095 1.366
62 HA PRO 13 HA PRO 13 8.524 -2.226 2.122
63 HB2 PRO 13 HB2 PRO 13 9.007 -3.361 4.552
64 HB3 PRO 13 HB3 PRO 13 10.049 -2.080 3.869
65 HG2 PRO 13 HG2 PRO 13 7.781 -1.741 5.859
66 HG3 PRO 13 HG3 PRO 13 9.452 -1.101 5.964
67 HD2 PRO 13 HD2 PRO 13 7.424 0.413 5.047
68 HD3 PRO 13 HD3 PRO 13 9.046 0.517 4.319
69 H CYS 14 H CYS 14 6.399 -2.394 1.266
70 HA CYS 14 HA CYS 14 4.072 -3.318 2.623
71 HB2 CYS 14 HB2 CYS 14 5.066 -3.057 -0.202
72 HB3 CYS 14 HB3 CYS 14 3.700 -4.132 0.064
73 HA PRO 15 HA PRO 15 6.002 -7.406 3.232
74 HB2 PRO 15 HB2 PRO 15 3.972 -8.630 4.636
75 HB3 PRO 15 HB3 PRO 15 5.115 -7.453 5.360
76 HG2 PRO 15 HG2 PRO 15 2.322 -6.946 4.304
77 HG3 PRO 15 HG3 PRO 15 3.040 -6.403 5.858
78 HD2 PRO 15 HD2 PRO 15 2.909 -4.771 3.701
79 HD3 PRO 15 HD3 PRO 15 4.325 -4.746 4.799
80 H GLY 16 H GLY 16 2.955 -6.676 1.679
81 HA2 GLY 16 HA2 GLY 16 3.271 -8.864 -0.217
82 HA3 GLY 16 HA3 GLY 16 1.751 -8.819 0.722
83 H GLY 17 H GLY 17 2.012 -8.408 -2.064
84 HA2 GLY 17 HA2 GLY 17 1.516 -5.540 -2.629
85 HA3 GLY 17 HA3 GLY 17 1.900 -6.804 -3.772
86 H THR 18 H THR 18 -0.272 -8.465 -2.107
87 HA THR 18 HA THR 18 -2.658 -7.299 -3.447
88 HB THR 18 HB THR 18 -2.140 -10.273 -3.172
89 HG1 THR 18 HG1 THR 18 -1.465 -10.254 -5.294
90 HG21 THR 18 HG21 THR 18 -3.908 -8.641 -5.060
91 HG22 THR 18 HG22 THR 18 -4.473 -9.552 -3.645
92 HG23 THR 18 HG23 THR 18 -3.776 -10.413 -5.025
93 H GLY 19 H GLY 19 -1.478 -9.550 -0.817
94 HA2 GLY 19 HA2 GLY 19 -3.938 -9.687 0.584
95 HA3 GLY 19 HA3 GLY 19 -2.349 -9.983 1.254
96 H CYS 20 H CYS 20 -1.343 -7.278 0.728
97 HA CYS 20 HA CYS 20 -2.098 -5.986 3.153
98 HB2 CYS 20 HB2 CYS 20 0.082 -5.653 2.206
99 HB3 CYS 20 HB3 CYS 20 -0.581 -5.203 0.677
100 H ARG 21 H ARG 21 -3.186 -3.819 3.372
101 HA ARG 21 HA ARG 21 -5.679 -3.711 1.913
102 HB2 ARG 21 HB2 ARG 21 -6.341 -1.996 3.479
103 HB3 ARG 21 HB3 ARG 21 -5.823 -3.470 4.277
104 HG2 ARG 21 HG2 ARG 21 -3.834 -2.447 5.113
105 HG3 ARG 21 HG3 ARG 21 -3.982 -1.037 4.064
106 HD2 ARG 21 HD2 ARG 21 -6.000 -0.310 5.239
107 HD3 ARG 21 HD3 ARG 21 -5.986 -1.794 6.213
108 HE ARG 21 HE ARG 21 -3.604 -0.039 6.327
109 HH11 ARG 21 HH11 ARG 21 -6.720 -0.759 7.894
110 HH12 ARG 21 HH12 ARG 21 -6.160 -0.394 9.483
111 HH21 ARG 21 HH21 ARG 21 -2.858 0.413 8.443
112 HH22 ARG 21 HH22 ARG 21 -3.862 0.195 9.822
113 H CYS 22 H CYS 22 -4.102 -3.354 0.054
114 HA CYS 22 HA CYS 22 -3.466 -0.453 -0.288
115 HB2 CYS 22 HB2 CYS 22 -2.666 -2.832 -1.878
116 HB3 CYS 22 HB3 CYS 22 -2.780 -1.281 -2.687
117 H THR 23 H THR 23 -5.749 -2.764 -1.897
118 HA THR 23 HA THR 23 -6.641 -0.637 -3.584
119 HB THR 23 HB THR 23 -8.275 -2.539 -4.236
120 HG1 THR 23 HG1 THR 23 -8.018 -3.889 -2.493
121 HG21 THR 23 HG21 THR 23 -6.255 -1.824 -5.473
122 HG22 THR 23 HG22 THR 23 -6.388 -3.587 -5.501
123 HG23 THR 23 HG23 THR 23 -5.224 -2.792 -4.438
124 H SER 24 H SER 24 -6.805 0.282 -0.955
125 HA SER 24 HA SER 24 -9.338 0.173 0.253
126 HB2 SER 24 HB2 SER 24 -8.494 2.436 1.181
127 HB3 SER 24 HB3 SER 24 -7.494 1.006 1.495
128 HG SER 24 HG SER 24 -6.762 3.249 0.357
129 H ALA 25 H ALA 25 -11.088 1.601 0.137
130 HA ALA 25 HA ALA 25 -11.367 3.110 -2.420
131 HB1 ALA 25 HB1 ALA 25 -13.382 1.568 -0.760
132 HB2 ALA 25 HB2 ALA 25 -13.803 2.598 -2.138
133 HB3 ALA 25 HB3 ALA 25 -12.806 1.147 -2.380
134 H ARG 26 H ARG 26 -12.500 5.010 -2.295
135 HA ARG 26 HA ARG 26 -12.946 7.099 -1.548
136 HB2 ARG 26 HB2 ARG 26 -14.123 5.551 0.784
137 HB3 ARG 26 HB3 ARG 26 -14.357 7.276 0.525
138 HG2 ARG 26 HG2 ARG 26 -15.236 5.147 -1.474
139 HG3 ARG 26 HG3 ARG 26 -16.239 5.786 -0.174
140 HD2 ARG 26 HD2 ARG 26 -16.897 7.110 -1.946
141 HD3 ARG 26 HD3 ARG 26 -15.726 8.136 -1.115
142 HE ARG 26 HE ARG 26 -15.162 6.489 -3.529
143 HH11 ARG 26 HH11 ARG 26 -14.911 9.670 -1.908
144 HH12 ARG 26 HH12 ARG 26 -14.016 10.395 -3.175
145 HH21 ARG 26 HH21 ARG 26 -13.900 7.453 -5.219
146 HH22 ARG 26 HH22 ARG 26 -13.328 9.072 -5.015
Start of MODEL 15
1 H1 GLY 1 H GLY 1 6.875 4.309 -7.917
2 HA2 GLY 1 HA2 GLY 1 5.394 2.819 -10.011
3 HA3 GLY 1 HA3 GLY 1 7.068 3.346 -10.160
4 H SER 2 H SER 2 8.720 2.321 -8.811
5 HA SER 2 HA SER 2 8.502 -0.445 -8.640
6 HB2 SER 2 HB2 SER 2 10.408 1.432 -7.211
7 HB3 SER 2 HB3 SER 2 10.665 -0.276 -7.613
8 HG SER 2 HG SER 2 11.643 0.734 -9.192
9 H GLY 3 H GLY 3 7.091 -1.441 -7.276
10 HA2 GLY 3 HA2 GLY 3 5.922 -2.062 -5.410
11 HA3 GLY 3 HA3 GLY 3 7.421 -1.660 -4.552
12 H CYS 4 H CYS 4 6.428 -0.876 -2.749
13 HA CYS 4 HA CYS 4 4.444 1.294 -2.917
14 HB2 CYS 4 HB2 CYS 4 4.349 -0.663 -1.246
15 HB3 CYS 4 HB3 CYS 4 5.797 0.075 -0.551
16 H ASP 5 H ASP 5 5.007 3.123 -1.036
17 HA ASP 5 HA ASP 5 7.768 3.952 -0.978
18 HB2 ASP 5 HB2 ASP 5 5.425 5.749 -1.679
19 HB3 ASP 5 HB3 ASP 5 7.147 6.147 -1.679
20 H ASP 6 H ASP 6 7.803 5.624 0.741
21 HA ASP 6 HA ASP 6 6.135 4.907 3.007
22 HB2 ASP 6 HB2 ASP 6 7.579 6.382 4.228
23 HB3 ASP 6 HB3 ASP 6 8.578 5.455 3.128
24 H LYS 7 H LYS 7 6.379 7.449 0.633
25 HA LYS 7 HA LYS 7 4.784 9.447 1.835
26 HB2 LYS 7 HB2 LYS 7 4.551 10.488 -0.220
27 HB3 LYS 7 HB3 LYS 7 6.110 9.667 -0.239
28 HG2 LYS 7 HG2 LYS 7 5.172 7.946 -1.761
29 HG3 LYS 7 HG3 LYS 7 3.612 8.794 -1.773
30 HD2 LYS 7 HD2 LYS 7 4.684 10.806 -2.720
31 HD3 LYS 7 HD3 LYS 7 6.258 10.060 -2.489
32 HE2 LYS 7 HE2 LYS 7 5.936 9.971 -4.759
33 HE3 LYS 7 HE3 LYS 7 5.683 8.327 -4.196
34 HZ1 LYS 7 HZ1 LYS 7 4.161 9.130 -5.903
35 HZ2 LYS 7 HZ2 LYS 7 3.523 10.245 -4.905
36 HZ3 LYS 7 HZ3 LYS 7 3.326 8.647 -4.569
37 H CYS 8 H CYS 8 3.968 6.672 0.301
38 HA CYS 8 HA CYS 8 1.232 6.751 -0.328
39 HB2 CYS 8 HB2 CYS 8 2.984 4.949 -0.730
40 HB3 CYS 8 HB3 CYS 8 2.707 4.442 0.938
41 H GLY 9 H GLY 9 2.757 6.539 2.949
42 HA2 GLY 9 HA2 GLY 9 1.571 7.183 4.851
43 HA3 GLY 9 HA3 GLY 9 0.037 6.753 4.127
44 H CYS 10 H CYS 10 2.722 4.437 3.956
45 HA CYS 10 HA CYS 10 2.102 3.007 6.319
46 HB2 CYS 10 HB2 CYS 10 1.054 1.154 5.380
47 HB3 CYS 10 HB3 CYS 10 0.270 2.492 4.500
48 H ALA 11 H ALA 11 3.602 0.997 6.281
49 HA ALA 11 HA ALA 11 6.170 1.602 5.574
50 HB1 ALA 11 HB1 ALA 11 6.621 -0.858 5.829
51 HB2 ALA 11 HB2 ALA 11 5.615 -0.208 7.114
52 HB3 ALA 11 HB3 ALA 11 4.886 -1.166 5.796
53 H VAL 12 H VAL 12 7.605 0.973 4.060
54 HA VAL 12 HA VAL 12 6.748 0.880 1.315
55 HB VAL 12 HB VAL 12 9.493 0.723 2.606
56 HG11 VAL 12 HG11 VAL 12 9.521 -0.485 0.429
57 HG12 VAL 12 HG12 VAL 12 8.743 0.903 -0.347
58 HG13 VAL 12 HG13 VAL 12 10.383 1.055 0.316
59 HG21 VAL 12 HG21 VAL 12 8.227 2.913 2.782
60 HG22 VAL 12 HG22 VAL 12 9.688 3.027 1.770
61 HG23 VAL 12 HG23 VAL 12 8.087 2.890 1.023
62 HA PRO 13 HA PRO 13 8.240 -3.660 1.411
63 HB2 PRO 13 HB2 PRO 13 8.702 -4.998 3.755
64 HB3 PRO 13 HB3 PRO 13 9.963 -4.092 2.869
65 HG2 PRO 13 HG2 PRO 13 8.308 -3.144 5.229
66 HG3 PRO 13 HG3 PRO 13 10.080 -3.016 4.992
67 HD2 PRO 13 HD2 PRO 13 8.454 -0.945 4.453
68 HD3 PRO 13 HD3 PRO 13 9.854 -1.308 3.406
69 H CYS 14 H CYS 14 6.144 -3.582 0.783
70 HA CYS 14 HA CYS 14 3.866 -3.899 2.614
71 HB2 CYS 14 HB2 CYS 14 4.313 -3.339 -0.303
72 HB3 CYS 14 HB3 CYS 14 2.793 -4.082 0.154
73 HA PRO 15 HA PRO 15 4.319 -8.349 2.015
74 HB2 PRO 15 HB2 PRO 15 2.056 -9.219 3.324
75 HB3 PRO 15 HB3 PRO 15 3.530 -8.637 4.153
76 HG2 PRO 15 HG2 PRO 15 0.986 -7.114 3.578
77 HG3 PRO 15 HG3 PRO 15 1.942 -7.135 5.083
78 HD2 PRO 15 HD2 PRO 15 2.121 -5.154 3.213
79 HD3 PRO 15 HD3 PRO 15 3.517 -5.594 4.233
80 H GLY 16 H GLY 16 1.473 -6.418 1.102
81 HA2 GLY 16 HA2 GLY 16 1.196 -7.801 -1.408
82 HA3 GLY 16 HA3 GLY 16 -0.142 -8.050 -0.261
83 H GLY 17 H GLY 17 -0.971 -6.863 -2.386
84 HA2 GLY 17 HA2 GLY 17 -0.956 -3.897 -2.061
85 HA3 GLY 17 HA3 GLY 17 -1.315 -4.776 -3.537
86 H THR 18 H THR 18 -3.211 -6.352 -3.372
87 HA THR 18 HA THR 18 -5.617 -5.219 -2.996
88 HB THR 18 HB THR 18 -6.347 -7.726 -2.794
89 HG1 THR 18 HG1 THR 18 -4.610 -9.157 -3.176
90 HG21 THR 18 HG21 THR 18 -5.758 -8.158 -5.122
91 HG22 THR 18 HG22 THR 18 -4.466 -6.946 -5.077
92 HG23 THR 18 HG23 THR 18 -6.159 -6.442 -4.948
93 H GLY 19 H GLY 19 -4.315 -7.563 -0.597
94 HA2 GLY 19 HA2 GLY 19 -6.318 -7.098 1.354
95 HA3 GLY 19 HA3 GLY 19 -4.744 -7.848 1.628
96 H CYS 20 H CYS 20 -3.689 -4.999 0.527
97 HA CYS 20 HA CYS 20 -3.266 -3.965 3.205
98 HB2 CYS 20 HB2 CYS 20 -1.624 -4.065 1.177
99 HB3 CYS 20 HB3 CYS 20 -2.449 -2.598 0.628
100 H ARG 21 H ARG 21 -3.395 -1.362 3.361
101 HA ARG 21 HA ARG 21 -6.197 -0.570 2.712
102 HB2 ARG 21 HB2 ARG 21 -4.156 0.414 4.739
103 HB3 ARG 21 HB3 ARG 21 -5.798 1.007 4.612
104 HG2 ARG 21 HG2 ARG 21 -5.196 -1.922 5.218
105 HG3 ARG 21 HG3 ARG 21 -5.242 -0.705 6.466
106 HD2 ARG 21 HD2 ARG 21 -7.572 -1.226 4.585
107 HD3 ARG 21 HD3 ARG 21 -7.364 -2.030 6.137
108 HE ARG 21 HE ARG 21 -8.182 0.727 5.660
109 HH11 ARG 21 HH11 ARG 21 -6.874 -1.457 8.181
110 HH12 ARG 21 HH12 ARG 21 -7.507 -0.493 9.474
111 HH21 ARG 21 HH21 ARG 21 -9.257 1.716 7.403
112 HH22 ARG 21 HH22 ARG 21 -8.838 1.318 9.033
113 H CYS 22 H CYS 22 -3.594 -0.406 1.053
114 HA CYS 22 HA CYS 22 -2.705 2.296 0.828
115 HB2 CYS 22 HB2 CYS 22 -2.488 -0.042 -1.084
116 HB3 CYS 22 HB3 CYS 22 -1.876 1.540 -1.449
117 H THR 23 H THR 23 -5.542 0.699 -0.636
118 HA THR 23 HA THR 23 -5.914 3.248 -2.139
119 HB THR 23 HB THR 23 -5.361 0.886 -3.295
120 HG1 THR 23 HG1 THR 23 -5.600 2.980 -4.199
121 HG21 THR 23 HG21 THR 23 -7.350 -0.096 -4.278
122 HG22 THR 23 HG22 THR 23 -8.383 1.020 -3.373
123 HG23 THR 23 HG23 THR 23 -7.452 -0.229 -2.507
124 H SER 24 H SER 24 -7.168 1.117 0.215
125 HA SER 24 HA SER 24 -8.926 1.074 1.496
126 HB2 SER 24 HB2 SER 24 -7.936 3.391 1.748
127 HB3 SER 24 HB3 SER 24 -9.392 3.999 0.936
128 HG SER 24 HG SER 24 -10.596 3.358 2.670
129 H ALA 25 H ALA 25 -9.360 0.346 -1.294
130 HA ALA 25 HA ALA 25 -11.948 1.239 -2.189
131 HB1 ALA 25 HB1 ALA 25 -11.816 -0.784 -3.678
132 HB2 ALA 25 HB2 ALA 25 -10.378 0.216 -3.775
133 HB3 ALA 25 HB3 ALA 25 -10.350 -1.293 -2.834
134 H ARG 26 H ARG 26 -13.755 -0.292 -2.480
135 HA ARG 26 HA ARG 26 -14.749 -1.179 0.049
136 HB2 ARG 26 HB2 ARG 26 -16.803 -1.605 -1.133
137 HB3 ARG 26 HB3 ARG 26 -16.107 -0.135 -1.768
138 HG2 ARG 26 HG2 ARG 26 -15.101 -1.894 -3.597
139 HG3 ARG 26 HG3 ARG 26 -16.515 -2.806 -3.057
140 HD2 ARG 26 HD2 ARG 26 -17.465 -1.537 -4.754
141 HD3 ARG 26 HD3 ARG 26 -17.788 -0.500 -3.381
142 HE ARG 26 HE ARG 26 -16.092 0.988 -4.052
143 HH11 ARG 26 HH11 ARG 26 -16.324 -1.764 -6.311
144 HH12 ARG 26 HH12 ARG 26 -15.243 -1.081 -7.473
145 HH21 ARG 26 HH21 ARG 26 -14.874 2.024 -5.765
146 HH22 ARG 26 HH22 ARG 26 -14.539 1.183 -7.225
Start of MODEL 16
1 H1 GLY 1 H GLY 1 11.690 -5.445 -5.785
2 HA2 GLY 1 HA2 GLY 1 11.649 -3.733 -4.114
3 HA3 GLY 1 HA3 GLY 1 12.845 -3.310 -5.342
4 H SER 2 H SER 2 11.245 -1.622 -3.499
5 HA SER 2 HA SER 2 10.003 0.286 -3.442
6 HB2 SER 2 HB2 SER 2 11.036 0.604 -6.277
7 HB3 SER 2 HB3 SER 2 10.305 1.871 -5.280
8 HG SER 2 HG SER 2 12.562 1.921 -5.094
9 H GLY 3 H GLY 3 8.361 -1.500 -3.316
10 HA2 GLY 3 HA2 GLY 3 6.562 -1.917 -5.579
11 HA3 GLY 3 HA3 GLY 3 6.322 -2.470 -3.914
12 H CYS 4 H CYS 4 6.483 -0.045 -2.487
13 HA CYS 4 HA CYS 4 4.365 1.661 -3.669
14 HB2 CYS 4 HB2 CYS 4 3.506 -0.222 -2.235
15 HB3 CYS 4 HB3 CYS 4 4.399 0.509 -0.882
16 H ASP 5 H ASP 5 3.932 3.418 -2.088
17 HA ASP 5 HA ASP 5 6.336 4.646 -0.888
18 HB2 ASP 5 HB2 ASP 5 4.261 6.220 -2.423
19 HB3 ASP 5 HB3 ASP 5 5.881 6.708 -1.924
20 H ASP 6 H ASP 6 5.664 6.439 0.601
21 HA ASP 6 HA ASP 6 3.463 5.637 2.304
22 HB2 ASP 6 HB2 ASP 6 5.434 7.927 2.322
23 HB3 ASP 6 HB3 ASP 6 3.976 8.025 3.314
24 H LYS 7 H LYS 7 3.879 7.828 -0.317
25 HA LYS 7 HA LYS 7 1.836 9.664 -0.229
26 HB2 LYS 7 HB2 LYS 7 2.618 8.028 -2.689
27 HB3 LYS 7 HB3 LYS 7 1.901 9.641 -2.666
28 HG2 LYS 7 HG2 LYS 7 3.957 10.488 -1.512
29 HG3 LYS 7 HG3 LYS 7 4.701 8.901 -1.661
30 HD2 LYS 7 HD2 LYS 7 3.630 10.326 -4.110
31 HD3 LYS 7 HD3 LYS 7 5.201 10.748 -3.417
32 HE2 LYS 7 HE2 LYS 7 5.886 8.346 -3.600
33 HE3 LYS 7 HE3 LYS 7 4.398 8.034 -4.515
34 HZ1 LYS 7 HZ1 LYS 7 6.290 8.472 -5.968
35 HZ2 LYS 7 HZ2 LYS 7 6.536 9.937 -5.269
36 HZ3 LYS 7 HZ3 LYS 7 5.175 9.691 -6.119
37 H CYS 8 H CYS 8 1.680 6.309 -1.082
38 HA CYS 8 HA CYS 8 -0.948 6.083 -2.083
39 HB2 CYS 8 HB2 CYS 8 1.014 4.479 -2.164
40 HB3 CYS 8 HB3 CYS 8 0.651 4.061 -0.492
41 H GLY 9 H GLY 9 0.209 6.226 1.318
42 HA2 GLY 9 HA2 GLY 9 -1.200 7.020 3.016
43 HA3 GLY 9 HA3 GLY 9 -2.582 6.197 2.314
44 H CYS 10 H CYS 10 -0.042 4.134 2.039
45 HA CYS 10 HA CYS 10 -0.438 2.806 4.678
46 HB2 CYS 10 HB2 CYS 10 -0.655 0.737 3.714
47 HB3 CYS 10 HB3 CYS 10 -1.611 1.728 2.604
48 H ALA 11 H ALA 11 1.473 1.492 5.264
49 HA ALA 11 HA ALA 11 3.874 2.834 4.969
50 HB1 ALA 11 HB1 ALA 11 4.935 0.735 5.831
51 HB2 ALA 11 HB2 ALA 11 3.495 1.203 6.746
52 HB3 ALA 11 HB3 ALA 11 3.391 -0.108 5.575
53 H VAL 12 H VAL 12 5.721 2.514 3.900
54 HA VAL 12 HA VAL 12 5.640 2.104 1.123
55 HB VAL 12 HB VAL 12 7.841 2.524 3.148
56 HG11 VAL 12 HG11 VAL 12 9.364 2.975 1.241
57 HG12 VAL 12 HG12 VAL 12 8.848 1.266 1.266
58 HG13 VAL 12 HG13 VAL 12 8.119 2.398 0.127
59 HG21 VAL 12 HG21 VAL 12 6.114 4.354 2.461
60 HG22 VAL 12 HG22 VAL 12 7.846 4.740 2.531
61 HG23 VAL 12 HG23 VAL 12 7.079 4.434 0.982
62 HA PRO 13 HA PRO 13 8.024 -1.980 1.456
63 HB2 PRO 13 HB2 PRO 13 8.727 -3.194 3.782
64 HB3 PRO 13 HB3 PRO 13 9.674 -1.867 3.061
65 HG2 PRO 13 HG2 PRO 13 7.559 -1.636 5.237
66 HG3 PRO 13 HG3 PRO 13 9.231 -0.990 5.246
67 HD2 PRO 13 HD2 PRO 13 7.159 0.578 4.515
68 HD3 PRO 13 HD3 PRO 13 8.736 0.648 3.662
69 H CYS 14 H CYS 14 5.957 -2.338 0.698
70 HA CYS 14 HA CYS 14 3.722 -3.256 2.220
71 HB2 CYS 14 HB2 CYS 14 4.553 -3.211 -0.669
72 HB3 CYS 14 HB3 CYS 14 3.100 -4.058 -0.184
73 HA PRO 15 HA PRO 15 5.410 -7.370 2.914
74 HB2 PRO 15 HB2 PRO 15 3.279 -8.563 4.196
75 HB3 PRO 15 HB3 PRO 15 4.412 -7.415 4.965
76 HG2 PRO 15 HG2 PRO 15 1.710 -6.793 3.734
77 HG3 PRO 15 HG3 PRO 15 2.335 -6.308 5.350
78 HD2 PRO 15 HD2 PRO 15 2.471 -4.603 3.290
79 HD3 PRO 15 HD3 PRO 15 3.862 -4.780 4.416
80 H GLY 16 H GLY 16 2.466 -6.711 1.137
81 HA2 GLY 16 HA2 GLY 16 2.998 -8.796 -0.789
82 HA3 GLY 16 HA3 GLY 16 1.482 -8.983 0.139
83 H GLY 17 H GLY 17 1.310 -8.517 -2.600
84 HA2 GLY 17 HA2 GLY 17 0.887 -5.640 -3.054
85 HA3 GLY 17 HA3 GLY 17 0.773 -6.933 -4.236
86 H THR 18 H THR 18 -1.136 -8.177 -4.368
87 HA THR 18 HA THR 18 -3.520 -6.853 -4.063
88 HB THR 18 HB THR 18 -3.205 -8.595 -5.593
89 HG1 THR 18 HG1 THR 18 -5.181 -9.774 -5.164
90 HG21 THR 18 HG21 THR 18 -1.841 -10.221 -4.224
91 HG22 THR 18 HG22 THR 18 -3.180 -10.961 -5.103
92 HG23 THR 18 HG23 THR 18 -3.332 -10.662 -3.364
93 H GLY 19 H GLY 19 -2.355 -9.396 -1.706
94 HA2 GLY 19 HA2 GLY 19 -4.677 -9.306 -0.146
95 HA3 GLY 19 HA3 GLY 19 -3.078 -9.767 0.441
96 H CYS 20 H CYS 20 -2.423 -6.761 -0.489
97 HA CYS 20 HA CYS 20 -2.804 -5.608 2.213
98 HB2 CYS 20 HB2 CYS 20 -0.641 -5.605 0.842
99 HB3 CYS 20 HB3 CYS 20 -1.433 -4.473 -0.245
100 H ARG 21 H ARG 21 -3.750 -3.257 2.374
101 HA ARG 21 HA ARG 21 -6.081 -3.061 0.636
102 HB2 ARG 21 HB2 ARG 21 -5.219 -1.401 3.018
103 HB3 ARG 21 HB3 ARG 21 -6.702 -1.159 2.079
104 HG2 ARG 21 HG2 ARG 21 -7.153 -3.687 2.603
105 HG3 ARG 21 HG3 ARG 21 -5.976 -3.466 3.895
106 HD2 ARG 21 HD2 ARG 21 -8.578 -1.928 3.465
107 HD3 ARG 21 HD3 ARG 21 -8.267 -3.186 4.671
108 HE ARG 21 HE ARG 21 -6.531 -0.807 4.787
109 HH11 ARG 21 HH11 ARG 21 -9.470 -2.408 6.084
110 HH12 ARG 21 HH12 ARG 21 -9.385 -1.546 7.594
111 HH21 ARG 21 HH21 ARG 21 -6.573 0.409 6.758
112 HH22 ARG 21 HH22 ARG 21 -7.790 0.075 7.952
113 H CYS 22 H CYS 22 -4.231 -2.880 -1.039
114 HA CYS 22 HA CYS 22 -3.233 -0.088 -1.343
115 HB2 CYS 22 HB2 CYS 22 -2.305 -2.714 -2.398
116 HB3 CYS 22 HB3 CYS 22 -2.113 -1.296 -3.413
117 H THR 23 H THR 23 -6.059 -1.583 -2.342
118 HA THR 23 HA THR 23 -6.289 0.458 -4.461
119 HB THR 23 HB THR 23 -5.660 -1.787 -5.396
120 HG1 THR 23 HG1 THR 23 -7.100 -1.660 -7.066
121 HG21 THR 23 HG21 THR 23 -8.423 -2.589 -4.395
122 HG22 THR 23 HG22 THR 23 -6.862 -3.345 -4.098
123 HG23 THR 23 HG23 THR 23 -7.563 -3.424 -5.703
124 H SER 24 H SER 24 -7.270 -0.440 -1.513
125 HA SER 24 HA SER 24 -10.162 -0.129 -1.827
126 HB2 SER 24 HB2 SER 24 -8.807 -1.622 -0.142
127 HB3 SER 24 HB3 SER 24 -8.683 -0.143 0.815
128 HG SER 24 HG SER 24 -10.735 -1.854 0.480
129 H ALA 25 H ALA 25 -10.300 1.895 -2.781
130 HA ALA 25 HA ALA 25 -9.004 4.285 -1.817
131 HB1 ALA 25 HB1 ALA 25 -9.557 4.017 -4.174
132 HB2 ALA 25 HB2 ALA 25 -11.289 3.840 -3.790
133 HB3 ALA 25 HB3 ALA 25 -10.465 5.379 -3.503
134 H ARG 26 H ARG 26 -9.549 4.474 0.384
135 HA ARG 26 HA ARG 26 -12.332 5.322 1.000
136 HB2 ARG 26 HB2 ARG 26 -11.891 3.138 1.984
137 HB3 ARG 26 HB3 ARG 26 -10.357 3.692 2.644
138 HG2 ARG 26 HG2 ARG 26 -11.991 3.492 4.385
139 HG3 ARG 26 HG3 ARG 26 -11.525 5.177 4.232
140 HD2 ARG 26 HD2 ARG 26 -14.037 4.047 2.926
141 HD3 ARG 26 HD3 ARG 26 -14.012 4.577 4.614
142 HE ARG 26 HE ARG 26 -12.937 6.656 3.054
143 HH11 ARG 26 HH11 ARG 26 -16.081 5.005 3.368
144 HH12 ARG 26 HH12 ARG 26 -17.012 6.371 2.885
145 HH21 ARG 26 HH21 ARG 26 -14.239 8.591 2.749
146 HH22 ARG 26 HH22 ARG 26 -15.928 8.394 2.379
Start of MODEL 17
1 H1 GLY 1 H GLY 1 11.682 -6.469 -1.586
2 HA2 GLY 1 HA2 GLY 1 10.812 -6.589 -3.848
3 HA3 GLY 1 HA3 GLY 1 9.248 -7.076 -3.163
4 H SER 2 H SER 2 9.866 -4.726 -4.876
5 HA SER 2 HA SER 2 9.088 -2.542 -2.996
6 HB2 SER 2 HB2 SER 2 11.377 -2.282 -4.007
7 HB3 SER 2 HB3 SER 2 10.590 -2.131 -5.591
8 HG SER 2 HG SER 2 10.978 -0.094 -4.498
9 H GLY 3 H GLY 3 7.978 -0.783 -4.335
10 HA2 GLY 3 HA2 GLY 3 6.453 -0.970 -6.545
11 HA3 GLY 3 HA3 GLY 3 5.555 -2.035 -5.428
12 H CYS 4 H CYS 4 6.680 0.019 -3.372
13 HA CYS 4 HA CYS 4 4.789 2.233 -3.825
14 HB2 CYS 4 HB2 CYS 4 3.805 0.160 -2.527
15 HB3 CYS 4 HB3 CYS 4 4.710 0.828 -1.160
16 H ASP 5 H ASP 5 4.872 3.865 -1.987
17 HA ASP 5 HA ASP 5 7.425 4.006 -0.558
18 HB2 ASP 5 HB2 ASP 5 6.105 6.051 -2.396
19 HB3 ASP 5 HB3 ASP 5 7.452 6.402 -1.303
20 H ASP 6 H ASP 6 7.233 5.907 1.051
21 HA ASP 6 HA ASP 6 4.870 5.455 2.626
22 HB2 ASP 6 HB2 ASP 6 7.038 5.931 3.675
23 HB3 ASP 6 HB3 ASP 6 7.026 7.565 2.976
24 H LYS 7 H LYS 7 5.827 7.955 0.337
25 HA LYS 7 HA LYS 7 4.133 10.050 0.940
26 HB2 LYS 7 HB2 LYS 7 4.003 10.467 -1.527
27 HB3 LYS 7 HB3 LYS 7 5.620 10.401 -0.801
28 HG2 LYS 7 HG2 LYS 7 5.939 8.147 -1.685
29 HG3 LYS 7 HG3 LYS 7 4.329 8.175 -2.427
30 HD2 LYS 7 HD2 LYS 7 6.720 9.946 -3.123
31 HD3 LYS 7 HD3 LYS 7 6.086 8.593 -4.071
32 HE2 LYS 7 HE2 LYS 7 3.844 9.940 -4.103
33 HE3 LYS 7 HE3 LYS 7 4.823 11.304 -3.547
34 HZ1 LYS 7 HZ1 LYS 7 6.199 10.951 -5.577
35 HZ2 LYS 7 HZ2 LYS 7 4.674 11.437 -5.827
36 HZ3 LYS 7 HZ3 LYS 7 5.092 9.846 -6.096
37 H CYS 8 H CYS 8 3.313 7.099 -0.403
38 HA CYS 8 HA CYS 8 0.661 7.455 -1.395
39 HB2 CYS 8 HB2 CYS 8 2.084 5.484 -1.790
40 HB3 CYS 8 HB3 CYS 8 2.021 5.095 -0.066
41 H GLY 9 H GLY 9 1.766 7.425 1.975
42 HA2 GLY 9 HA2 GLY 9 0.556 7.879 3.847
43 HA3 GLY 9 HA3 GLY 9 -0.954 7.717 2.955
44 H CYS 10 H CYS 10 1.590 5.161 3.024
45 HA CYS 10 HA CYS 10 0.234 3.637 5.045
46 HB2 CYS 10 HB2 CYS 10 -0.595 1.943 3.789
47 HB3 CYS 10 HB3 CYS 10 -0.980 3.322 2.754
48 H ALA 11 H ALA 11 1.368 1.513 5.382
49 HA ALA 11 HA ALA 11 4.053 1.658 5.868
50 HB1 ALA 11 HB1 ALA 11 2.651 -0.111 6.750
51 HB2 ALA 11 HB2 ALA 11 2.370 -0.778 5.119
52 HB3 ALA 11 HB3 ALA 11 3.985 -0.853 5.839
53 H VAL 12 H VAL 12 5.955 1.361 4.657
54 HA VAL 12 HA VAL 12 5.721 1.594 1.822
55 HB VAL 12 HB VAL 12 8.222 1.158 3.476
56 HG11 VAL 12 HG11 VAL 12 9.391 1.846 1.405
57 HG12 VAL 12 HG12 VAL 12 8.495 0.344 1.130
58 HG13 VAL 12 HG13 VAL 12 7.838 1.875 0.537
59 HG21 VAL 12 HG21 VAL 12 6.759 3.559 2.392
60 HG22 VAL 12 HG22 VAL 12 7.334 3.253 4.036
61 HG23 VAL 12 HG23 VAL 12 8.496 3.608 2.762
62 HA PRO 13 HA PRO 13 7.115 -2.845 1.080
63 HB2 PRO 13 HB2 PRO 13 7.747 -4.621 3.031
64 HB3 PRO 13 HB3 PRO 13 8.914 -3.452 2.349
65 HG2 PRO 13 HG2 PRO 13 7.287 -3.175 4.902
66 HG3 PRO 13 HG3 PRO 13 9.045 -2.891 4.648
67 HD2 PRO 13 HD2 PRO 13 7.261 -0.839 4.611
68 HD3 PRO 13 HD3 PRO 13 8.685 -0.898 3.519
69 H CYS 14 H CYS 14 5.019 -2.634 0.607
70 HA CYS 14 HA CYS 14 2.869 -3.307 2.389
71 HB2 CYS 14 HB2 CYS 14 3.012 -2.066 -0.043
72 HB3 CYS 14 HB3 CYS 14 2.311 -3.613 -0.519
73 HA PRO 15 HA PRO 15 3.152 -7.736 2.005
74 HB2 PRO 15 HB2 PRO 15 0.690 -8.518 2.954
75 HB3 PRO 15 HB3 PRO 15 2.035 -7.956 3.984
76 HG2 PRO 15 HG2 PRO 15 -0.355 -6.406 2.991
77 HG3 PRO 15 HG3 PRO 15 0.355 -6.429 4.635
78 HD2 PRO 15 HD2 PRO 15 0.896 -4.451 2.828
79 HD3 PRO 15 HD3 PRO 15 2.123 -5.018 3.995
80 H GLY 16 H GLY 16 0.260 -6.000 0.762
81 HA2 GLY 16 HA2 GLY 16 0.357 -7.534 -1.736
82 HA3 GLY 16 HA3 GLY 16 -1.165 -7.476 -0.825
83 H GLY 17 H GLY 17 -1.470 -6.465 -3.171
84 HA2 GLY 17 HA2 GLY 17 -0.939 -3.570 -3.314
85 HA3 GLY 17 HA3 GLY 17 -1.362 -4.662 -4.619
86 H THR 18 H THR 18 -3.460 -5.282 -5.002
87 HA THR 18 HA THR 18 -5.518 -3.678 -4.734
88 HB THR 18 HB THR 18 -5.711 -6.703 -4.863
89 HG1 THR 18 HG1 THR 18 -5.075 -6.370 -7.076
90 HG21 THR 18 HG21 THR 18 -7.858 -5.445 -5.086
91 HG22 THR 18 HG22 THR 18 -7.389 -6.248 -6.597
92 HG23 THR 18 HG23 THR 18 -7.147 -4.498 -6.415
93 H GLY 19 H GLY 19 -5.168 -6.566 -2.546
94 HA2 GLY 19 HA2 GLY 19 -7.385 -6.161 -0.969
95 HA3 GLY 19 HA3 GLY 19 -5.903 -6.941 -0.427
96 H CYS 20 H CYS 20 -4.504 -4.184 -0.902
97 HA CYS 20 HA CYS 20 -4.781 -3.139 1.826
98 HB2 CYS 20 HB2 CYS 20 -2.648 -3.315 0.423
99 HB3 CYS 20 HB3 CYS 20 -3.301 -2.045 -0.575
100 H ARG 21 H ARG 21 -4.724 -0.456 1.617
101 HA ARG 21 HA ARG 21 -7.117 0.330 0.057
102 HB2 ARG 21 HB2 ARG 21 -7.706 1.821 1.862
103 HB3 ARG 21 HB3 ARG 21 -7.930 0.132 2.228
104 HG2 ARG 21 HG2 ARG 21 -5.504 1.610 3.276
105 HG3 ARG 21 HG3 ARG 21 -7.069 1.735 4.078
106 HD2 ARG 21 HD2 ARG 21 -7.223 -0.666 4.384
107 HD3 ARG 21 HD3 ARG 21 -5.728 -0.911 3.476
108 HE ARG 21 HE ARG 21 -5.508 0.744 5.879
109 HH11 ARG 21 HH11 ARG 21 -5.562 -2.576 4.657
110 HH12 ARG 21 HH12 ARG 21 -4.513 -3.208 5.873
111 HH21 ARG 21 HH21 ARG 21 -4.101 -0.188 7.583
112 HH22 ARG 21 HH22 ARG 21 -3.648 -1.865 7.476
113 H CYS 22 H CYS 22 -5.090 0.383 -1.310
114 HA CYS 22 HA CYS 22 -3.373 2.783 -0.978
115 HB2 CYS 22 HB2 CYS 22 -3.238 0.236 -2.604
116 HB3 CYS 22 HB3 CYS 22 -2.456 1.673 -3.219
117 H THR 23 H THR 23 -4.238 1.742 -4.224
118 HA THR 23 HA THR 23 -5.279 4.329 -4.811
119 HB THR 23 HB THR 23 -4.146 3.093 -6.505
120 HG1 THR 23 HG1 THR 23 -5.607 4.188 -7.593
121 HG21 THR 23 HG21 THR 23 -4.609 0.754 -5.758
122 HG22 THR 23 HG22 THR 23 -4.869 1.012 -7.477
123 HG23 THR 23 HG23 THR 23 -6.262 0.910 -6.392
124 H SER 24 H SER 24 -6.861 1.134 -4.207
125 HA SER 24 HA SER 24 -9.534 2.275 -4.290
126 HB2 SER 24 HB2 SER 24 -10.032 -0.180 -3.749
127 HB3 SER 24 HB3 SER 24 -9.296 0.174 -5.311
128 HG SER 24 HG SER 24 -8.369 -1.598 -4.189
129 H ALA 25 H ALA 25 -11.018 1.640 -2.478
130 HA ALA 25 HA ALA 25 -9.757 1.970 0.188
131 HB1 ALA 25 HB1 ALA 25 -11.735 3.297 0.829
132 HB2 ALA 25 HB2 ALA 25 -10.927 4.037 -0.569
133 HB3 ALA 25 HB3 ALA 25 -12.418 3.093 -0.789
134 H ARG 26 H ARG 26 -11.658 1.307 1.871
135 HA ARG 26 HA ARG 26 -12.961 -1.215 1.035
136 HB2 ARG 26 HB2 ARG 26 -10.777 -1.880 1.977
137 HB3 ARG 26 HB3 ARG 26 -11.027 -0.819 3.371
138 HG2 ARG 26 HG2 ARG 26 -13.030 -2.183 4.002
139 HG3 ARG 26 HG3 ARG 26 -12.644 -3.320 2.697
140 HD2 ARG 26 HD2 ARG 26 -10.833 -2.568 5.031
141 HD3 ARG 26 HD3 ARG 26 -11.962 -3.931 5.036
142 HE ARG 26 HE ARG 26 -10.253 -4.174 2.766
143 HH11 ARG 26 HH11 ARG 26 -10.242 -4.453 6.320
144 HH12 ARG 26 HH12 ARG 26 -9.050 -5.712 6.351
145 HH21 ARG 26 HH21 ARG 26 -8.642 -5.772 2.822
146 HH22 ARG 26 HH22 ARG 26 -8.135 -6.491 4.324
Start of MODEL 18
1 H1 GLY 1 H GLY 1 4.937 4.491 -10.970
2 HA2 GLY 1 HA2 GLY 1 6.491 4.980 -8.490
3 HA3 GLY 1 HA3 GLY 1 4.719 5.067 -8.570
4 H SER 2 H SER 2 7.524 2.867 -8.660
5 HA SER 2 HA SER 2 5.927 0.481 -9.028
6 HB2 SER 2 HB2 SER 2 8.308 0.863 -9.803
7 HB3 SER 2 HB3 SER 2 8.807 0.830 -8.109
8 HG SER 2 HG SER 2 7.530 -1.289 -9.563
9 H GLY 3 H GLY 3 6.899 -1.256 -7.238
10 HA2 GLY 3 HA2 GLY 3 5.983 -2.282 -5.355
11 HA3 GLY 3 HA3 GLY 3 7.243 -1.256 -4.664
12 H CYS 4 H CYS 4 6.654 0.370 -3.242
13 HA CYS 4 HA CYS 4 3.893 1.247 -3.080
14 HB2 CYS 4 HB2 CYS 4 4.412 -0.740 -1.567
15 HB3 CYS 4 HB3 CYS 4 5.472 0.287 -0.683
16 H ASP 5 H ASP 5 3.916 3.033 -1.130
17 HA ASP 5 HA ASP 5 6.327 4.593 -0.901
18 HB2 ASP 5 HB2 ASP 5 3.760 5.639 -2.154
19 HB3 ASP 5 HB3 ASP 5 5.194 6.602 -1.714
20 H ASP 6 H ASP 6 5.782 6.316 0.673
21 HA ASP 6 HA ASP 6 4.118 5.402 2.835
22 HB2 ASP 6 HB2 ASP 6 4.903 7.368 3.966
23 HB3 ASP 6 HB3 ASP 6 6.264 6.731 3.048
24 H LYS 7 H LYS 7 3.752 7.673 0.182
25 HA LYS 7 HA LYS 7 1.591 9.259 1.062
26 HB2 LYS 7 HB2 LYS 7 0.876 9.359 -1.367
27 HB3 LYS 7 HB3 LYS 7 2.528 9.872 -0.985
28 HG2 LYS 7 HG2 LYS 7 3.385 7.778 -1.835
29 HG3 LYS 7 HG3 LYS 7 1.742 7.218 -2.241
30 HD2 LYS 7 HD2 LYS 7 1.596 9.197 -3.822
31 HD3 LYS 7 HD3 LYS 7 3.300 9.542 -3.411
32 HE2 LYS 7 HE2 LYS 7 3.970 7.322 -4.226
33 HE3 LYS 7 HE3 LYS 7 2.297 6.937 -4.648
34 HZ1 LYS 7 HZ1 LYS 7 3.674 7.614 -6.510
35 HZ2 LYS 7 HZ2 LYS 7 3.927 9.083 -5.897
36 HZ3 LYS 7 HZ3 LYS 7 2.398 8.638 -6.341
37 H CYS 8 H CYS 8 1.664 6.077 -0.018
38 HA CYS 8 HA CYS 8 -1.033 5.517 -0.590
39 HB2 CYS 8 HB2 CYS 8 1.199 4.233 -0.906
40 HB3 CYS 8 HB3 CYS 8 0.856 3.594 0.706
41 H GLY 9 H GLY 9 0.375 6.211 2.580
42 HA2 GLY 9 HA2 GLY 9 -0.760 6.437 4.538
43 HA3 GLY 9 HA3 GLY 9 -2.199 5.682 3.840
44 H CYS 10 H CYS 10 0.996 4.124 3.665
45 HA CYS 10 HA CYS 10 0.645 2.469 5.953
46 HB2 CYS 10 HB2 CYS 10 0.216 0.446 4.911
47 HB3 CYS 10 HB3 CYS 10 -0.846 1.574 4.037
48 H ALA 11 H ALA 11 2.556 1.054 6.152
49 HA ALA 11 HA ALA 11 4.967 2.251 5.539
50 HB1 ALA 11 HB1 ALA 11 6.022 0.132 6.198
51 HB2 ALA 11 HB2 ALA 11 4.651 0.487 7.252
52 HB3 ALA 11 HB3 ALA 11 4.492 -0.724 5.963
53 H VAL 12 H VAL 12 6.668 1.752 4.196
54 HA VAL 12 HA VAL 12 5.938 1.285 1.449
55 HB VAL 12 HB VAL 12 8.565 2.087 2.750
56 HG11 VAL 12 HG11 VAL 12 8.863 1.113 0.466
57 HG12 VAL 12 HG12 VAL 12 7.697 2.297 -0.171
58 HG13 VAL 12 HG13 VAL 12 9.244 2.829 0.560
59 HG21 VAL 12 HG21 VAL 12 7.033 3.836 3.193
60 HG22 VAL 12 HG22 VAL 12 7.686 4.323 1.619
61 HG23 VAL 12 HG23 VAL 12 6.109 3.534 1.727
62 HA PRO 13 HA PRO 13 8.745 -2.549 1.632
63 HB2 PRO 13 HB2 PRO 13 9.713 -3.630 3.912
64 HB3 PRO 13 HB3 PRO 13 10.463 -2.164 3.216
65 HG2 PRO 13 HG2 PRO 13 8.313 -2.265 5.362
66 HG3 PRO 13 HG3 PRO 13 9.911 -1.486 5.474
67 HD2 PRO 13 HD2 PRO 13 7.728 -0.092 4.755
68 HD3 PRO 13 HD3 PRO 13 9.276 0.207 3.916
69 H CYS 14 H CYS 14 6.224 -2.552 1.393
70 HA CYS 14 HA CYS 14 4.460 -3.704 3.176
71 HB2 CYS 14 HB2 CYS 14 4.630 -3.259 0.213
72 HB3 CYS 14 HB3 CYS 14 3.332 -4.330 0.876
73 HA PRO 15 HA PRO 15 5.510 -7.920 3.516
74 HB2 PRO 15 HB2 PRO 15 3.142 -9.061 4.299
75 HB3 PRO 15 HB3 PRO 15 4.070 -7.917 5.309
76 HG2 PRO 15 HG2 PRO 15 1.755 -7.268 3.435
77 HG3 PRO 15 HG3 PRO 15 1.900 -6.852 5.174
78 HD2 PRO 15 HD2 PRO 15 2.607 -5.071 3.298
79 HD3 PRO 15 HD3 PRO 15 3.653 -5.303 4.737
80 H GLY 16 H GLY 16 2.846 -7.284 1.151
81 HA2 GLY 16 HA2 GLY 16 3.874 -9.439 -0.496
82 HA3 GLY 16 HA3 GLY 16 2.326 -9.836 0.258
83 H GLY 17 H GLY 17 0.435 -8.406 -0.219
84 HA2 GLY 17 HA2 GLY 17 0.534 -6.213 -1.978
85 HA3 GLY 17 HA3 GLY 17 0.364 -7.661 -2.972
86 H THR 18 H THR 18 -1.540 -8.951 -2.769
87 HA THR 18 HA THR 18 -3.919 -7.645 -2.737
88 HB THR 18 HB THR 18 -3.562 -10.569 -2.036
89 HG1 THR 18 HG1 THR 18 -3.696 -9.805 -4.690
90 HG21 THR 18 HG21 THR 18 -5.644 -9.190 -3.786
91 HG22 THR 18 HG22 THR 18 -5.914 -9.711 -2.110
92 HG23 THR 18 HG23 THR 18 -5.563 -10.908 -3.350
93 H GLY 19 H GLY 19 -2.761 -9.715 -0.001
94 HA2 GLY 19 HA2 GLY 19 -4.935 -9.297 1.688
95 HA3 GLY 19 HA3 GLY 19 -3.322 -9.801 2.172
96 H CYS 20 H CYS 20 -2.529 -6.942 0.927
97 HA CYS 20 HA CYS 20 -2.533 -5.616 3.547
98 HB2 CYS 20 HB2 CYS 20 -0.647 -5.695 1.784
99 HB3 CYS 20 HB3 CYS 20 -1.622 -4.583 0.838
100 H ARG 21 H ARG 21 -3.423 -3.192 3.654
101 HA ARG 21 HA ARG 21 -5.980 -3.140 2.136
102 HB2 ARG 21 HB2 ARG 21 -6.832 -1.610 3.714
103 HB3 ARG 21 HB3 ARG 21 -6.285 -3.073 4.477
104 HG2 ARG 21 HG2 ARG 21 -4.865 -2.065 5.815
105 HG3 ARG 21 HG3 ARG 21 -4.175 -1.032 4.563
106 HD2 ARG 21 HD2 ARG 21 -6.792 -0.513 6.048
107 HD3 ARG 21 HD3 ARG 21 -5.247 0.270 6.377
108 HE ARG 21 HE ARG 21 -6.086 0.495 3.595
109 HH11 ARG 21 HH11 ARG 21 -6.375 2.149 6.792
110 HH12 ARG 21 HH12 ARG 21 -7.077 3.565 6.052
111 HH21 ARG 21 HH21 ARG 21 -7.148 2.346 2.773
112 HH22 ARG 21 HH22 ARG 21 -7.474 3.674 3.858
113 H CYS 22 H CYS 22 -3.845 -2.594 0.475
114 HA CYS 22 HA CYS 22 -3.516 0.336 0.368
115 HB2 CYS 22 HB2 CYS 22 -2.653 -1.870 -1.537
116 HB3 CYS 22 HB3 CYS 22 -2.425 -0.167 -1.826
117 H THR 23 H THR 23 -5.070 -2.295 -1.509
118 HA THR 23 HA THR 23 -6.394 -0.730 -3.405
119 HB THR 23 HB THR 23 -7.594 -3.076 -3.567
120 HG1 THR 23 HG1 THR 23 -6.310 -4.687 -2.482
121 HG21 THR 23 HG21 THR 23 -5.739 -2.342 -5.046
122 HG22 THR 23 HG22 THR 23 -5.605 -4.054 -4.626
123 HG23 THR 23 HG23 THR 23 -4.552 -2.870 -3.829
124 H SER 24 H SER 24 -7.088 -0.517 -0.156
125 HA SER 24 HA SER 24 -9.846 -0.971 0.111
126 HB2 SER 24 HB2 SER 24 -9.566 0.745 1.956
127 HB3 SER 24 HB3 SER 24 -8.391 -0.579 2.016
128 HG SER 24 HG SER 24 -7.876 1.792 0.598
129 H ALA 25 H ALA 25 -11.592 0.077 -0.656
130 HA ALA 25 HA ALA 25 -11.382 2.179 -2.584
131 HB1 ALA 25 HB1 ALA 25 -13.184 0.530 -2.647
132 HB2 ALA 25 HB2 ALA 25 -13.773 1.064 -1.057
133 HB3 ALA 25 HB3 ALA 25 -13.887 2.141 -2.457
134 H ARG 26 H ARG 26 -12.856 4.180 -2.343
135 HA ARG 26 HA ARG 26 -12.479 5.521 0.273
136 HB2 ARG 26 HB2 ARG 26 -11.685 6.566 -2.472
137 HB3 ARG 26 HB3 ARG 26 -12.106 7.624 -1.136
138 HG2 ARG 26 HG2 ARG 26 -9.790 7.507 -1.014
139 HG3 ARG 26 HG3 ARG 26 -10.353 6.481 0.289
140 HD2 ARG 26 HD2 ARG 26 -8.412 5.543 -0.868
141 HD3 ARG 26 HD3 ARG 26 -9.798 4.476 -1.070
142 HE ARG 26 HE ARG 26 -9.517 6.404 -3.204
143 HH11 ARG 26 HH11 ARG 26 -8.377 3.198 -2.187
144 HH12 ARG 26 HH12 ARG 26 -7.626 2.835 -3.687
145 HH21 ARG 26 HH21 ARG 26 -8.602 5.974 -5.118
146 HH22 ARG 26 HH22 ARG 26 -7.533 4.613 -5.367
Start of MODEL 19
1 H1 GLY 1 H GLY 1 9.653 1.075 -11.795
2 HA2 GLY 1 HA2 GLY 1 10.095 -0.345 -9.879
3 HA3 GLY 1 HA3 GLY 1 9.690 1.025 -8.832
4 H SER 2 H SER 2 7.345 2.012 -9.643
5 HA SER 2 HA SER 2 5.180 1.836 -9.714
6 HB2 SER 2 HB2 SER 2 5.920 0.005 -11.590
7 HB3 SER 2 HB3 SER 2 4.980 -1.023 -10.506
8 HG SER 2 HG SER 2 4.173 1.404 -11.738
9 H GLY 3 H GLY 3 6.994 -0.021 -7.567
10 HA2 GLY 3 HA2 GLY 3 4.861 -1.424 -6.229
11 HA3 GLY 3 HA3 GLY 3 6.479 -1.095 -5.599
12 H CYS 4 H CYS 4 4.526 -0.868 -3.813
13 HA CYS 4 HA CYS 4 3.205 1.628 -3.762
14 HB2 CYS 4 HB2 CYS 4 2.717 -0.493 -2.422
15 HB3 CYS 4 HB3 CYS 4 3.960 0.095 -1.276
16 H ASP 5 H ASP 5 3.362 3.136 -1.983
17 HA ASP 5 HA ASP 5 6.027 4.148 -1.267
18 HB2 ASP 5 HB2 ASP 5 4.963 6.407 -1.856
19 HB3 ASP 5 HB3 ASP 5 5.254 5.362 -3.235
20 H ASP 6 H ASP 6 5.583 6.060 0.112
21 HA ASP 6 HA ASP 6 4.244 5.369 2.594
22 HB2 ASP 6 HB2 ASP 6 5.360 7.519 3.290
23 HB3 ASP 6 HB3 ASP 6 6.509 6.314 2.674
24 H LYS 7 H LYS 7 3.945 7.496 -0.212
25 HA LYS 7 HA LYS 7 2.159 9.427 0.702
26 HB2 LYS 7 HB2 LYS 7 2.412 8.153 -2.069
27 HB3 LYS 7 HB3 LYS 7 1.410 9.546 -1.694
28 HG2 LYS 7 HG2 LYS 7 3.494 10.685 -0.775
29 HG3 LYS 7 HG3 LYS 7 4.437 9.376 -1.500
30 HD2 LYS 7 HD2 LYS 7 3.898 10.040 -3.708
31 HD3 LYS 7 HD3 LYS 7 2.429 10.875 -3.196
32 HE2 LYS 7 HE2 LYS 7 3.931 12.585 -3.811
33 HE3 LYS 7 HE3 LYS 7 3.810 12.621 -2.053
34 HZ1 LYS 7 HZ1 LYS 7 6.029 11.402 -3.582
35 HZ2 LYS 7 HZ2 LYS 7 5.952 11.517 -1.929
36 HZ3 LYS 7 HZ3 LYS 7 6.044 12.869 -2.880
37 H CYS 8 H CYS 8 1.569 6.116 -0.291
38 HA CYS 8 HA CYS 8 -1.208 5.987 -0.525
39 HB2 CYS 8 HB2 CYS 8 -0.017 4.135 -1.200
40 HB3 CYS 8 HB3 CYS 8 1.004 4.132 0.232
41 H GLY 9 H GLY 9 0.825 6.167 2.403
42 HA2 GLY 9 HA2 GLY 9 0.048 6.776 4.517
43 HA3 GLY 9 HA3 GLY 9 -1.580 6.232 4.124
44 H CYS 10 H CYS 10 1.354 4.246 3.584
45 HA CYS 10 HA CYS 10 1.060 2.662 5.941
46 HB2 CYS 10 HB2 CYS 10 0.366 0.724 5.032
47 HB3 CYS 10 HB3 CYS 10 -0.612 1.792 4.037
48 H ALA 11 H ALA 11 2.795 0.759 5.679
49 HA ALA 11 HA ALA 11 5.261 1.947 5.237
50 HB1 ALA 11 HB1 ALA 11 4.582 -1.019 5.403
51 HB2 ALA 11 HB2 ALA 11 6.189 -0.302 5.651
52 HB3 ALA 11 HB3 ALA 11 4.882 0.068 6.776
53 H VAL 12 H VAL 12 6.888 1.649 3.759
54 HA VAL 12 HA VAL 12 6.142 1.088 1.014
55 HB VAL 12 HB VAL 12 8.814 1.932 2.199
56 HG11 VAL 12 HG11 VAL 12 9.062 0.837 -0.028
57 HG12 VAL 12 HG12 VAL 12 7.824 1.930 -0.688
58 HG13 VAL 12 HG13 VAL 12 9.381 2.569 -0.110
59 HG21 VAL 12 HG21 VAL 12 7.212 3.678 2.595
60 HG22 VAL 12 HG22 VAL 12 8.071 4.139 1.120
61 HG23 VAL 12 HG23 VAL 12 6.460 3.425 1.013
62 HA PRO 13 HA PRO 13 8.989 -2.737 1.443
63 HB2 PRO 13 HB2 PRO 13 10.202 -3.517 3.719
64 HB3 PRO 13 HB3 PRO 13 10.826 -2.120 2.792
65 HG2 PRO 13 HG2 PRO 13 8.887 -2.029 5.149
66 HG3 PRO 13 HG3 PRO 13 10.461 -1.202 5.005
67 HD2 PRO 13 HD2 PRO 13 8.183 0.063 4.340
68 HD3 PRO 13 HD3 PRO 13 9.646 0.266 3.333
69 H CYS 14 H CYS 14 6.379 -2.589 1.648
70 HA CYS 14 HA CYS 14 4.971 -3.763 3.738
71 HB2 CYS 14 HB2 CYS 14 4.381 -2.540 1.350
72 HB3 CYS 14 HB3 CYS 14 3.945 -4.209 0.974
73 HA PRO 15 HA PRO 15 6.432 -7.988 3.244
74 HB2 PRO 15 HB2 PRO 15 4.791 -9.321 5.003
75 HB3 PRO 15 HB3 PRO 15 6.170 -8.289 5.493
76 HG2 PRO 15 HG2 PRO 15 3.237 -7.531 5.340
77 HG3 PRO 15 HG3 PRO 15 4.393 -7.239 6.684
78 HD2 PRO 15 HD2 PRO 15 3.821 -5.310 4.859
79 HD3 PRO 15 HD3 PRO 15 5.486 -5.511 5.487
80 H GLY 16 H GLY 16 3.171 -6.962 2.401
81 HA2 GLY 16 HA2 GLY 16 3.007 -9.112 0.447
82 HA3 GLY 16 HA3 GLY 16 1.701 -9.028 1.641
83 H GLY 17 H GLY 17 0.786 -8.628 -0.738
84 HA2 GLY 17 HA2 GLY 17 0.779 -5.720 -1.421
85 HA3 GLY 17 HA3 GLY 17 0.446 -7.033 -2.524
86 H THR 18 H THR 18 -1.461 -8.379 -2.100
87 HA THR 18 HA THR 18 -3.823 -6.970 -2.112
88 HB THR 18 HB THR 18 -4.699 -9.418 -2.041
89 HG1 THR 18 HG1 THR 18 -3.167 -10.960 -2.227
90 HG21 THR 18 HG21 THR 18 -4.277 -8.155 -4.124
91 HG22 THR 18 HG22 THR 18 -3.878 -9.873 -4.291
92 HG23 THR 18 HG23 THR 18 -2.572 -8.681 -4.090
93 H GLY 19 H GLY 19 -2.588 -9.070 0.567
94 HA2 GLY 19 HA2 GLY 19 -4.939 -9.158 2.140
95 HA3 GLY 19 HA3 GLY 19 -3.289 -9.319 2.731
96 H CYS 20 H CYS 20 -2.232 -6.916 2.083
97 HA CYS 20 HA CYS 20 -2.917 -5.183 4.206
98 HB2 CYS 20 HB2 CYS 20 -0.735 -5.357 3.051
99 HB3 CYS 20 HB3 CYS 20 -1.509 -4.743 1.587
100 H ARG 21 H ARG 21 -3.631 -2.740 3.937
101 HA ARG 21 HA ARG 21 -5.995 -2.696 2.172
102 HB2 ARG 21 HB2 ARG 21 -5.085 -0.811 4.383
103 HB3 ARG 21 HB3 ARG 21 -6.551 -0.649 3.408
104 HG2 ARG 21 HG2 ARG 21 -7.186 -3.028 4.194
105 HG3 ARG 21 HG3 ARG 21 -5.873 -2.866 5.363
106 HD2 ARG 21 HD2 ARG 21 -7.759 -2.235 6.589
107 HD3 ARG 21 HD3 ARG 21 -7.064 -0.686 6.124
108 HE ARG 21 HE ARG 21 -8.819 -0.340 4.578
109 HH11 ARG 21 HH11 ARG 21 -9.370 -3.433 6.355
110 HH12 ARG 21 HH12 ARG 21 -11.034 -3.479 5.893
111 HH21 ARG 21 HH21 ARG 21 -11.048 -0.457 4.119
112 HH22 ARG 21 HH22 ARG 21 -11.975 -1.815 4.618
113 H CYS 22 H CYS 22 -4.143 -2.935 0.523
114 HA CYS 22 HA CYS 22 -3.012 -0.260 -0.271
115 HB2 CYS 22 HB2 CYS 22 -2.075 -3.062 -0.874
116 HB3 CYS 22 HB3 CYS 22 -1.797 -1.775 -2.021
117 H THR 23 H THR 23 -5.751 -2.093 -0.877
118 HA THR 23 HA THR 23 -6.057 -0.734 -3.477
119 HB THR 23 HB THR 23 -5.558 -3.188 -3.709
120 HG1 THR 23 HG1 THR 23 -6.877 -1.767 -5.166
121 HG21 THR 23 HG21 THR 23 -7.418 -4.774 -3.367
122 HG22 THR 23 HG22 THR 23 -8.368 -3.526 -2.567
123 HG23 THR 23 HG23 THR 23 -6.858 -4.110 -1.825
124 H SER 24 H SER 24 -6.966 -0.875 -0.378
125 HA SER 24 HA SER 24 -9.699 -0.807 -0.058
126 HB2 SER 24 HB2 SER 24 -8.056 -0.934 1.708
127 HB3 SER 24 HB3 SER 24 -7.293 0.557 1.201
128 HG SER 24 HG SER 24 -9.949 0.620 2.149
129 H ALA 25 H ALA 25 -11.037 0.330 -1.244
130 HA ALA 25 HA ALA 25 -10.453 2.727 -2.733
131 HB1 ALA 25 HB1 ALA 25 -12.004 0.937 -3.472
132 HB2 ALA 25 HB2 ALA 25 -13.087 1.317 -2.109
133 HB3 ALA 25 HB3 ALA 25 -12.808 2.492 -3.398
134 H ARG 26 H ARG 26 -12.384 4.514 -2.454
135 HA ARG 26 HA ARG 26 -11.898 5.784 0.129
136 HB2 ARG 26 HB2 ARG 26 -13.518 6.515 -2.349
137 HB3 ARG 26 HB3 ARG 26 -13.681 7.389 -0.839
138 HG2 ARG 26 HG2 ARG 26 -12.197 8.653 -2.091
139 HG3 ARG 26 HG3 ARG 26 -11.221 7.879 -0.867
140 HD2 ARG 26 HD2 ARG 26 -11.414 6.921 -3.749
141 HD3 ARG 26 HD3 ARG 26 -10.212 8.081 -3.171
142 HE ARG 26 HE ARG 26 -9.972 5.947 -1.449
143 HH11 ARG 26 HH11 ARG 26 -9.619 6.348 -4.989
144 HH12 ARG 26 HH12 ARG 26 -8.488 5.055 -5.149
145 HH21 ARG 26 HH21 ARG 26 -8.550 4.165 -1.698
146 HH22 ARG 26 HH22 ARG 26 -7.944 3.725 -3.250
Start of MODEL 20
1 H1 GLY 1 H GLY 1 13.512 -0.635 -7.912
2 HA2 GLY 1 HA2 GLY 1 12.531 1.617 -8.203
3 HA3 GLY 1 HA3 GLY 1 12.100 0.500 -9.512
4 H SER 2 H SER 2 9.968 -0.188 -9.761
5 HA SER 2 HA SER 2 7.926 1.412 -8.577
6 HB2 SER 2 HB2 SER 2 7.760 -1.124 -10.208
7 HB3 SER 2 HB3 SER 2 6.403 -0.038 -9.863
8 HG SER 2 HG SER 2 7.520 0.216 -11.909
9 H GLY 3 H GLY 3 7.203 1.170 -6.580
10 HA2 GLY 3 HA2 GLY 3 6.164 -1.225 -5.464
11 HA3 GLY 3 HA3 GLY 3 7.750 -0.833 -4.742
12 H CYS 4 H CYS 4 6.192 -0.417 -2.762
13 HA CYS 4 HA CYS 4 4.645 2.055 -3.048
14 HB2 CYS 4 HB2 CYS 4 3.975 0.107 -1.585
15 HB3 CYS 4 HB3 CYS 4 5.248 0.674 -0.469
16 H ASP 5 H ASP 5 5.048 3.750 -1.167
17 HA ASP 5 HA ASP 5 7.777 4.417 -0.544
18 HB2 ASP 5 HB2 ASP 5 7.273 6.767 -1.416
19 HB3 ASP 5 HB3 ASP 5 7.621 5.560 -2.669
20 H ASP 6 H ASP 6 7.584 6.259 1.028
21 HA ASP 6 HA ASP 6 5.414 5.698 2.861
22 HB2 ASP 6 HB2 ASP 6 7.681 6.161 3.643
23 HB3 ASP 6 HB3 ASP 6 7.567 7.810 3.013
24 H LYS 7 H LYS 7 5.987 8.185 0.445
25 HA LYS 7 HA LYS 7 4.260 10.249 1.389
26 HB2 LYS 7 HB2 LYS 7 4.552 9.377 -1.521
27 HB3 LYS 7 HB3 LYS 7 3.973 10.939 -0.951
28 HG2 LYS 7 HG2 LYS 7 6.183 11.540 -0.130
29 HG3 LYS 7 HG3 LYS 7 6.798 9.911 -0.480
30 HD2 LYS 7 HD2 LYS 7 6.369 10.216 -2.885
31 HD3 LYS 7 HD3 LYS 7 5.662 11.790 -2.566
32 HE2 LYS 7 HE2 LYS 7 7.838 12.120 -3.466
33 HE3 LYS 7 HE3 LYS 7 7.825 12.652 -1.789
34 HZ1 LYS 7 HZ1 LYS 7 8.932 10.536 -1.206
35 HZ2 LYS 7 HZ2 LYS 7 9.789 11.399 -2.320
36 HZ3 LYS 7 HZ3 LYS 7 8.919 10.084 -2.775
37 H CYS 8 H CYS 8 3.620 7.218 -0.155
38 HA CYS 8 HA CYS 8 0.959 7.395 -0.914
39 HB2 CYS 8 HB2 CYS 8 2.799 5.583 -1.177
40 HB3 CYS 8 HB3 CYS 8 2.285 5.003 0.418
41 H GLY 9 H GLY 9 2.186 7.101 2.495
42 HA2 GLY 9 HA2 GLY 9 0.854 7.648 4.327
43 HA3 GLY 9 HA3 GLY 9 -0.601 7.263 3.443
44 H CYS 10 H CYS 10 1.981 4.913 3.202
45 HA CYS 10 HA CYS 10 1.153 3.361 5.496
46 HB2 CYS 10 HB2 CYS 10 0.138 1.600 4.388
47 HB3 CYS 10 HB3 CYS 10 -0.512 2.991 3.475
48 H ALA 11 H ALA 11 2.492 1.349 5.536
49 HA ALA 11 HA ALA 11 5.125 1.673 5.306
50 HB1 ALA 11 HB1 ALA 11 4.012 -0.229 6.458
51 HB2 ALA 11 HB2 ALA 11 3.643 -0.977 4.881
52 HB3 ALA 11 HB3 ALA 11 5.323 -0.797 5.405
53 H VAL 12 H VAL 12 6.795 1.209 4.025
54 HA VAL 12 HA VAL 12 6.481 1.429 1.195
55 HB VAL 12 HB VAL 12 8.984 1.120 2.912
56 HG11 VAL 12 HG11 VAL 12 10.170 2.024 0.974
57 HG12 VAL 12 HG12 VAL 12 9.345 0.531 0.507
58 HG13 VAL 12 HG13 VAL 12 8.661 2.097 0.049
59 HG21 VAL 12 HG21 VAL 12 7.774 3.128 3.563
60 HG22 VAL 12 HG22 VAL 12 9.146 3.592 2.562
61 HG23 VAL 12 HG23 VAL 12 7.510 3.561 1.867
62 HA PRO 13 HA PRO 13 8.220 -2.977 0.837
63 HB2 PRO 13 HB2 PRO 13 8.746 -4.645 2.921
64 HB3 PRO 13 HB3 PRO 13 9.841 -3.329 2.490
65 HG2 PRO 13 HG2 PRO 13 7.627 -3.271 4.573
66 HG3 PRO 13 HG3 PRO 13 9.362 -2.869 4.804
67 HD2 PRO 13 HD2 PRO 13 7.494 -0.953 4.324
68 HD3 PRO 13 HD3 PRO 13 9.135 -0.849 3.618
69 H CYS 14 H CYS 14 5.646 -2.307 0.639
70 HA CYS 14 HA CYS 14 3.682 -3.669 2.067
71 HB2 CYS 14 HB2 CYS 14 3.975 -2.708 -0.796
72 HB3 CYS 14 HB3 CYS 14 2.533 -3.511 -0.255
73 HA PRO 15 HA PRO 15 4.791 -7.839 0.741
74 HB2 PRO 15 HB2 PRO 15 2.418 -9.126 1.575
75 HB3 PRO 15 HB3 PRO 15 3.907 -8.877 2.515
76 HG2 PRO 15 HG2 PRO 15 1.354 -7.379 2.545
77 HG3 PRO 15 HG3 PRO 15 2.485 -7.659 3.911
78 HD2 PRO 15 HD2 PRO 15 2.250 -5.261 2.514
79 HD3 PRO 15 HD3 PRO 15 3.749 -5.750 3.351
80 H GLY 16 H GLY 16 1.757 -6.215 -0.207
81 HA2 GLY 16 HA2 GLY 16 1.272 -6.012 -2.535
82 HA3 GLY 16 HA3 GLY 16 1.967 -7.594 -2.845
83 H GLY 17 H GLY 17 -0.712 -6.013 -1.065
84 HA2 GLY 17 HA2 GLY 17 -3.019 -6.485 -1.549
85 HA3 GLY 17 HA3 GLY 17 -2.572 -8.120 -2.055
86 H THR 18 H THR 18 -4.124 -8.922 -0.726
87 HA THR 18 HA THR 18 -5.383 -9.241 1.130
88 HB THR 18 HB THR 18 -3.042 -11.103 1.450
89 HG1 THR 18 HG1 THR 18 -3.516 -12.069 -0.420
90 HG21 THR 18 HG21 THR 18 -4.926 -12.791 1.450
91 HG22 THR 18 HG22 THR 18 -6.084 -11.453 1.363
92 HG23 THR 18 HG23 THR 18 -5.029 -11.618 2.788
93 H GLY 19 H GLY 19 -5.001 -7.184 2.407
94 HA2 GLY 19 HA2 GLY 19 -4.950 -7.350 5.003
95 HA3 GLY 19 HA3 GLY 19 -3.215 -7.529 4.769
96 H CYS 20 H CYS 20 -2.881 -5.743 2.546
97 HA CYS 20 HA CYS 20 -3.140 -3.163 4.023
98 HB2 CYS 20 HB2 CYS 20 -0.987 -3.667 2.904
99 HB3 CYS 20 HB3 CYS 20 -1.833 -3.739 1.340
100 H ARG 21 H ARG 21 -3.896 -1.200 2.743
101 HA ARG 21 HA ARG 21 -6.047 -1.892 0.770
102 HB2 ARG 21 HB2 ARG 21 -6.080 0.100 3.083
103 HB3 ARG 21 HB3 ARG 21 -7.305 -0.016 1.809
104 HG2 ARG 21 HG2 ARG 21 -7.900 -2.281 2.485
105 HG3 ARG 21 HG3 ARG 21 -6.611 -2.309 3.705
106 HD2 ARG 21 HD2 ARG 21 -7.705 -0.517 4.966
107 HD3 ARG 21 HD3 ARG 21 -8.968 -0.403 3.731
108 HE ARG 21 HE ARG 21 -8.707 -3.082 4.761
109 HH11 ARG 21 HH11 ARG 21 -10.018 0.022 5.888
110 HH12 ARG 21 HH12 ARG 21 -11.555 -0.679 6.345
111 HH21 ARG 21 HH21 ARG 21 -10.691 -3.971 5.448
112 HH22 ARG 21 HH22 ARG 21 -11.799 -3.008 6.378
113 H CYS 22 H CYS 22 -4.029 -1.615 -0.628
114 HA CYS 22 HA CYS 22 -3.011 1.166 -0.759
115 HB2 CYS 22 HB2 CYS 22 -1.975 -1.409 -1.899
116 HB3 CYS 22 HB3 CYS 22 -1.832 0.025 -2.891
117 H THR 23 H THR 23 -5.295 -0.906 -2.478
118 HA THR 23 HA THR 23 -5.842 1.452 -4.126
119 HB THR 23 HB THR 23 -4.366 -0.024 -5.406
120 HG1 THR 23 HG1 THR 23 -6.422 0.038 -7.070
121 HG21 THR 23 HG21 THR 23 -5.064 -2.010 -6.462
122 HG22 THR 23 HG22 THR 23 -6.726 -1.866 -5.873
123 HG23 THR 23 HG23 THR 23 -5.407 -2.251 -4.747
124 H SER 24 H SER 24 -7.039 1.164 -1.913
125 HA SER 24 HA SER 24 -9.416 -0.488 -1.931
126 HB2 SER 24 HB2 SER 24 -8.036 1.242 -0.088
127 HB3 SER 24 HB3 SER 24 -9.643 1.939 -0.340
128 HG SER 24 HG SER 24 -10.566 0.008 0.207
129 H ALA 25 H ALA 25 -11.311 0.017 -2.891
130 HA ALA 25 HA ALA 25 -11.819 2.707 -4.012
131 HB1 ALA 25 HB1 ALA 25 -12.771 1.669 -6.021
132 HB2 ALA 25 HB2 ALA 25 -11.064 1.224 -5.868
133 HB3 ALA 25 HB3 ALA 25 -12.337 0.054 -5.438
134 H ARG 26 H ARG 26 -14.173 3.101 -4.061
135 HA ARG 26 HA ARG 26 -15.734 1.282 -2.273
136 HB2 ARG 26 HB2 ARG 26 -15.678 4.330 -2.349
137 HB3 ARG 26 HB3 ARG 26 -16.869 3.370 -1.468
138 HG2 ARG 26 HG2 ARG 26 -13.865 3.438 -0.907
139 HG3 ARG 26 HG3 ARG 26 -15.148 4.230 0.017
140 HD2 ARG 26 HD2 ARG 26 -16.165 1.893 0.316
141 HD3 ARG 26 HD3 ARG 26 -14.622 1.247 -0.247
142 HE ARG 26 HE ARG 26 -13.944 3.024 1.760
143 HH11 ARG 26 HH11 ARG 26 -16.049 0.124 1.639
144 HH12 ARG 26 HH12 ARG 26 -16.140 0.025 3.373
145 HH21 ARG 26 HH21 ARG 26 -13.829 2.624 3.949
146 HH22 ARG 26 HH22 ARG 26 -14.871 1.438 4.710
Start of MODEL 21
1 H1 GLY 1 H GLY 1 1.442 7.688 -10.991
2 HA2 GLY 1 HA2 GLY 1 -0.228 8.390 -9.264
3 HA3 GLY 1 HA3 GLY 1 -0.736 7.001 -10.240
4 H SER 2 H SER 2 -1.107 7.961 -7.230
5 HA SER 2 HA SER 2 -0.067 5.757 -5.663
6 HB2 SER 2 HB2 SER 2 -0.510 8.223 -4.996
7 HB3 SER 2 HB3 SER 2 -2.218 7.785 -4.949
8 HG SER 2 HG SER 2 -1.828 7.204 -3.030
9 H GLY 3 H GLY 3 -1.364 4.459 -7.693
10 HA2 GLY 3 HA2 GLY 3 -4.200 4.017 -7.315
11 HA3 GLY 3 HA3 GLY 3 -3.099 3.042 -8.293
12 H CYS 4 H CYS 4 -4.601 3.471 -5.181
13 HA CYS 4 HA CYS 4 -3.848 0.786 -4.397
14 HB2 CYS 4 HB2 CYS 4 -2.631 3.276 -3.346
15 HB3 CYS 4 HB3 CYS 4 -3.379 2.340 -2.101
16 H ASP 5 H ASP 5 -5.504 -0.262 -3.318
17 HA ASP 5 HA ASP 5 -7.570 1.288 -1.964
18 HB2 ASP 5 HB2 ASP 5 -9.018 -0.647 -3.028
19 HB3 ASP 5 HB3 ASP 5 -8.682 0.838 -3.927
20 H ASP 6 H ASP 6 -8.758 -0.584 -0.555
21 HA ASP 6 HA ASP 6 -6.559 -1.744 1.000
22 HB2 ASP 6 HB2 ASP 6 -8.159 -2.118 2.666
23 HB3 ASP 6 HB3 ASP 6 -8.636 -0.600 1.903
24 H LYS 7 H LYS 7 -8.457 -2.784 -1.452
25 HA LYS 7 HA LYS 7 -8.853 -5.623 -0.758
26 HB2 LYS 7 HB2 LYS 7 -9.161 -4.228 -3.450
27 HB3 LYS 7 HB3 LYS 7 -9.525 -5.927 -3.127
28 HG2 LYS 7 HG2 LYS 7 -11.262 -5.254 -1.472
29 HG3 LYS 7 HG3 LYS 7 -10.954 -3.545 -1.894
30 HD2 LYS 7 HD2 LYS 7 -11.453 -4.077 -4.258
31 HD3 LYS 7 HD3 LYS 7 -11.773 -5.759 -3.828
32 HE2 LYS 7 HE2 LYS 7 -13.877 -4.754 -4.128
33 HE3 LYS 7 HE3 LYS 7 -13.692 -4.970 -2.385
34 HZ1 LYS 7 HZ1 LYS 7 -13.265 -2.657 -2.155
35 HZ2 LYS 7 HZ2 LYS 7 -14.577 -2.773 -3.089
36 HZ3 LYS 7 HZ3 LYS 7 -13.121 -2.417 -3.782
37 H CYS 8 H CYS 8 -6.516 -3.685 -2.473
38 HA CYS 8 HA CYS 8 -5.141 -5.827 -3.715
39 HB2 CYS 8 HB2 CYS 8 -3.450 -4.366 -4.167
40 HB3 CYS 8 HB3 CYS 8 -4.986 -3.443 -4.314
41 H GLY 9 H GLY 9 -5.692 -5.719 -0.497
42 HA2 GLY 9 HA2 GLY 9 -4.744 -6.716 1.285
43 HA3 GLY 9 HA3 GLY 9 -3.373 -7.216 0.272
44 H CYS 10 H CYS 10 -4.608 -3.848 0.895
45 HA CYS 10 HA CYS 10 -1.911 -3.313 2.236
46 HB2 CYS 10 HB2 CYS 10 -3.470 -1.795 0.181
47 HB3 CYS 10 HB3 CYS 10 -2.781 -0.860 1.468
48 H ALA 11 H ALA 11 -2.060 -2.126 4.212
49 HA ALA 11 HA ALA 11 -4.588 -1.944 5.454
50 HB1 ALA 11 HB1 ALA 11 -2.401 -2.135 6.699
51 HB2 ALA 11 HB2 ALA 11 -1.875 -0.582 6.019
52 HB3 ALA 11 HB3 ALA 11 -3.236 -0.635 7.136
53 H VAL 12 H VAL 12 -5.630 0.097 5.921
54 HA VAL 12 HA VAL 12 -4.852 2.373 4.223
55 HB VAL 12 HB VAL 12 -7.195 2.704 3.589
56 HG11 VAL 12 HG11 VAL 12 -7.128 1.274 1.656
57 HG12 VAL 12 HG12 VAL 12 -5.471 1.768 2.056
58 HG13 VAL 12 HG13 VAL 12 -6.037 0.132 2.468
59 HG21 VAL 12 HG21 VAL 12 -7.620 -0.236 4.283
60 HG22 VAL 12 HG22 VAL 12 -8.247 1.092 5.259
61 HG23 VAL 12 HG23 VAL 12 -8.797 0.896 3.598
62 HA PRO 13 HA PRO 13 -5.965 4.579 3.855
63 HB2 PRO 13 HB2 PRO 13 -4.965 6.982 4.695
64 HB3 PRO 13 HB3 PRO 13 -6.710 6.563 4.766
65 HG2 PRO 13 HG2 PRO 13 -4.664 6.393 7.001
66 HG3 PRO 13 HG3 PRO 13 -6.300 7.129 7.051
67 HD2 PRO 13 HD2 PRO 13 -5.851 4.591 7.924
68 HD3 PRO 13 HD3 PRO 13 -7.359 5.018 7.061
69 H CYS 14 H CYS 14 -4.164 4.442 2.573
70 HA CYS 14 HA CYS 14 -1.789 3.284 3.701
71 HB2 CYS 14 HB2 CYS 14 -2.406 4.402 0.927
72 HB3 CYS 14 HB3 CYS 14 -0.816 3.829 1.377
73 HA PRO 15 HA PRO 15 0.606 6.750 4.848
74 HB2 PRO 15 HB2 PRO 15 3.182 6.155 3.990
75 HB3 PRO 15 HB3 PRO 15 2.389 5.457 5.437
76 HG2 PRO 15 HG2 PRO 15 2.623 4.247 2.677
77 HG3 PRO 15 HG3 PRO 15 2.885 3.459 4.268
78 HD2 PRO 15 HD2 PRO 15 0.556 3.170 2.919
79 HD3 PRO 15 HD3 PRO 15 0.576 3.340 4.694
80 H GLY 16 H GLY 16 1.506 5.590 1.576
81 HA2 GLY 16 HA2 GLY 16 0.388 7.172 -0.171
82 HA3 GLY 16 HA3 GLY 16 1.560 8.341 0.465
83 H GLY 17 H GLY 17 3.824 7.161 0.736
84 HA2 GLY 17 HA2 GLY 17 4.412 5.563 -1.749
85 HA3 GLY 17 HA3 GLY 17 5.392 6.889 -1.174
86 H THR 18 H THR 18 6.575 6.730 0.815
87 HA THR 18 HA THR 18 7.897 4.288 1.131
88 HB THR 18 HB THR 18 8.655 5.410 3.328
89 HG1 THR 18 HG1 THR 18 8.229 7.665 3.392
90 HG21 THR 18 HG21 THR 18 9.980 5.456 1.273
91 HG22 THR 18 HG22 THR 18 10.096 7.005 2.101
92 HG23 THR 18 HG23 THR 18 9.068 6.846 0.667
93 H GLY 19 H GLY 19 7.774 2.632 2.681
94 HA2 GLY 19 HA2 GLY 19 6.817 1.231 4.160
95 HA3 GLY 19 HA3 GLY 19 5.832 2.564 4.775
96 H CYS 20 H CYS 20 4.961 2.627 1.595
97 HA CYS 20 HA CYS 20 2.480 1.285 2.073
98 HB2 CYS 20 HB2 CYS 20 2.731 3.107 0.307
99 HB3 CYS 20 HB3 CYS 20 3.810 1.995 -0.518
100 H ARG 21 H ARG 21 1.898 -0.996 1.467
101 HA ARG 21 HA ARG 21 4.006 -2.850 1.254
102 HB2 ARG 21 HB2 ARG 21 1.101 -3.400 0.582
103 HB3 ARG 21 HB3 ARG 21 2.295 -4.525 1.220
104 HG2 ARG 21 HG2 ARG 21 1.070 -2.194 2.667
105 HG3 ARG 21 HG3 ARG 21 0.550 -3.865 2.851
106 HD2 ARG 21 HD2 ARG 21 3.413 -3.029 3.448
107 HD3 ARG 21 HD3 ARG 21 2.164 -2.896 4.659
108 HE ARG 21 HE ARG 21 3.357 -5.316 3.544
109 HH11 ARG 21 HH11 ARG 21 0.734 -4.077 5.680
110 HH12 ARG 21 HH12 ARG 21 0.590 -5.578 6.548
111 HH21 ARG 21 HH21 ARG 21 3.224 -7.178 4.838
112 HH22 ARG 21 HH22 ARG 21 1.948 -7.412 5.995
113 H CYS 22 H CYS 22 3.530 -0.857 -1.005
114 HA CYS 22 HA CYS 22 3.769 -2.793 -3.140
115 HB2 CYS 22 HB2 CYS 22 2.042 -0.302 -3.342
116 HB3 CYS 22 HB3 CYS 22 2.423 -1.409 -4.629
117 H THR 23 H THR 23 3.850 0.864 -2.876
118 HA THR 23 HA THR 23 6.152 1.101 -4.486
119 HB THR 23 HB THR 23 5.793 3.531 -3.847
120 HG1 THR 23 HG1 THR 23 4.834 3.376 -1.877
121 HG21 THR 23 HG21 THR 23 4.705 2.565 -5.807
122 HG22 THR 23 HG22 THR 23 3.648 3.721 -4.967
123 HG23 THR 23 HG23 THR 23 3.372 1.988 -4.782
124 H SER 24 H SER 24 7.005 -0.576 -2.380
125 HA SER 24 HA SER 24 9.184 1.035 -1.304
126 HB2 SER 24 HB2 SER 24 7.382 1.063 0.454
127 HB3 SER 24 HB3 SER 24 7.412 -0.709 0.480
128 HG SER 24 HG SER 24 9.850 0.653 0.813
129 H ALA 25 H ALA 25 11.006 -0.155 -1.659
130 HA ALA 25 HA ALA 25 10.771 -2.741 -2.952
131 HB1 ALA 25 HB1 ALA 25 12.566 -1.153 -3.581
132 HB2 ALA 25 HB2 ALA 25 13.217 -1.226 -1.921
133 HB3 ALA 25 HB3 ALA 25 13.253 -2.656 -2.959
134 H ARG 26 H ARG 26 11.413 -4.705 -2.111
135 HA ARG 26 HA ARG 26 12.409 -5.123 0.555
136 HB2 ARG 26 HB2 ARG 26 10.477 -6.643 1.181
137 HB3 ARG 26 HB3 ARG 26 10.217 -4.915 1.367
138 HG2 ARG 26 HG2 ARG 26 8.876 -4.833 -0.695
139 HG3 ARG 26 HG3 ARG 26 9.079 -6.570 -0.914
140 HD2 ARG 26 HD2 ARG 26 7.791 -5.287 1.509
141 HD3 ARG 26 HD3 ARG 26 6.919 -5.914 0.118
142 HE ARG 26 HE ARG 26 7.630 -8.118 0.604
143 HH11 ARG 26 HH11 ARG 26 8.554 -5.894 3.279
144 HH12 ARG 26 HH12 ARG 26 8.886 -7.181 4.363
145 HH21 ARG 26 HH21 ARG 26 7.682 -9.739 2.201
146 HH22 ARG 26 HH22 ARG 26 8.118 -9.369 3.833
Start of MODEL 22
1 H1 GLY 1 H GLY 1 -7.996 -0.131 -10.397
2 HA2 GLY 1 HA2 GLY 1 -9.541 2.390 -10.213
3 HA3 GLY 1 HA3 GLY 1 -8.698 1.674 -8.824
4 H SER 2 H SER 2 -7.235 3.381 -8.512
5 HA SER 2 HA SER 2 -4.906 3.420 -10.226
6 HB2 SER 2 HB2 SER 2 -5.035 5.868 -10.566
7 HB3 SER 2 HB3 SER 2 -6.396 5.072 -11.357
8 HG SER 2 HG SER 2 -6.945 6.946 -10.106
9 H GLY 3 H GLY 3 -3.324 5.094 -9.046
10 HA2 GLY 3 HA2 GLY 3 -2.196 5.684 -7.161
11 HA3 GLY 3 HA3 GLY 3 -3.762 6.007 -6.408
12 H CYS 4 H CYS 4 -4.664 4.467 -4.916
13 HA CYS 4 HA CYS 4 -3.563 1.828 -4.806
14 HB2 CYS 4 HB2 CYS 4 -2.193 3.897 -3.422
15 HB3 CYS 4 HB3 CYS 4 -3.168 3.149 -2.199
16 H ASP 5 H ASP 5 -5.014 0.380 -3.483
17 HA ASP 5 HA ASP 5 -7.228 1.749 -2.098
18 HB2 ASP 5 HB2 ASP 5 -7.203 -0.754 -3.800
19 HB3 ASP 5 HB3 ASP 5 -8.625 -0.041 -3.059
20 H ASP 6 H ASP 6 -8.205 0.001 -0.558
21 HA ASP 6 HA ASP 6 -6.020 -1.377 0.839
22 HB2 ASP 6 HB2 ASP 6 -7.717 -1.987 2.490
23 HB3 ASP 6 HB3 ASP 6 -7.753 -0.270 2.143
24 H LYS 7 H LYS 7 -8.024 -2.051 -1.591
25 HA LYS 7 HA LYS 7 -8.573 -4.902 -1.129
26 HB2 LYS 7 HB2 LYS 7 -9.702 -5.013 -3.192
27 HB3 LYS 7 HB3 LYS 7 -10.085 -3.444 -2.488
28 HG2 LYS 7 HG2 LYS 7 -8.047 -2.641 -3.989
29 HG3 LYS 7 HG3 LYS 7 -8.366 -4.101 -4.892
30 HD2 LYS 7 HD2 LYS 7 -10.560 -2.069 -4.282
31 HD3 LYS 7 HD3 LYS 7 -9.444 -1.868 -5.634
32 HE2 LYS 7 HE2 LYS 7 -10.145 -3.999 -6.619
33 HE3 LYS 7 HE3 LYS 7 -11.256 -4.286 -5.263
34 HZ1 LYS 7 HZ1 LYS 7 -12.305 -3.305 -7.289
35 HZ2 LYS 7 HZ2 LYS 7 -11.494 -1.908 -7.032
36 HZ3 LYS 7 HZ3 LYS 7 -12.561 -2.468 -5.920
37 H CYS 8 H CYS 8 -5.986 -3.017 -2.371
38 HA CYS 8 HA CYS 8 -4.751 -5.187 -3.838
39 HB2 CYS 8 HB2 CYS 8 -3.006 -3.746 -4.292
40 HB3 CYS 8 HB3 CYS 8 -4.442 -2.705 -4.298
41 H GLY 9 H GLY 9 -5.252 -4.650 -0.516
42 HA2 GLY 9 HA2 GLY 9 -4.489 -6.080 1.146
43 HA3 GLY 9 HA3 GLY 9 -3.027 -6.425 0.249
44 H CYS 10 H CYS 10 -4.018 -3.021 0.521
45 HA CYS 10 HA CYS 10 -1.650 -2.590 2.385
46 HB2 CYS 10 HB2 CYS 10 -3.149 -0.818 0.473
47 HB3 CYS 10 HB3 CYS 10 -2.295 -0.129 1.810
48 H ALA 11 H ALA 11 -2.100 -1.467 4.338
49 HA ALA 11 HA ALA 11 -4.815 -1.477 5.332
50 HB1 ALA 11 HB1 ALA 11 -2.685 -1.899 6.725
51 HB2 ALA 11 HB2 ALA 11 -2.244 -0.213 6.460
52 HB3 ALA 11 HB3 ALA 11 -3.723 -0.606 7.352
53 H VAL 12 H VAL 12 -6.096 0.391 5.376
54 HA VAL 12 HA VAL 12 -4.876 2.873 4.368
55 HB VAL 12 HB VAL 12 -6.928 3.490 3.295
56 HG11 VAL 12 HG11 VAL 12 -5.828 0.801 2.393
57 HG12 VAL 12 HG12 VAL 12 -6.764 1.931 1.397
58 HG13 VAL 12 HG13 VAL 12 -5.169 2.401 2.025
59 HG21 VAL 12 HG21 VAL 12 -8.715 1.832 2.895
60 HG22 VAL 12 HG22 VAL 12 -7.993 0.768 4.107
61 HG23 VAL 12 HG23 VAL 12 -8.609 2.367 4.570
62 HA PRO 13 HA PRO 13 -6.181 5.319 4.240
63 HB2 PRO 13 HB2 PRO 13 -5.016 7.399 5.674
64 HB3 PRO 13 HB3 PRO 13 -6.767 7.157 5.433
65 HG2 PRO 13 HG2 PRO 13 -5.060 6.402 7.814
66 HG3 PRO 13 HG3 PRO 13 -6.686 7.151 7.794
67 HD2 PRO 13 HD2 PRO 13 -6.394 4.505 8.221
68 HD3 PRO 13 HD3 PRO 13 -7.752 5.135 7.263
69 H CYS 14 H CYS 14 -4.346 5.196 2.852
70 HA CYS 14 HA CYS 14 -2.049 3.801 3.900
71 HB2 CYS 14 HB2 CYS 14 -2.914 4.778 1.213
72 HB3 CYS 14 HB3 CYS 14 -1.189 4.890 1.526
73 HA PRO 15 HA PRO 15 0.142 7.370 5.369
74 HB2 PRO 15 HB2 PRO 15 2.749 6.529 5.368
75 HB3 PRO 15 HB3 PRO 15 1.522 5.851 6.472
76 HG2 PRO 15 HG2 PRO 15 2.400 4.753 3.792
77 HG3 PRO 15 HG3 PRO 15 2.310 3.877 5.361
78 HD2 PRO 15 HD2 PRO 15 0.301 3.707 3.567
79 HD3 PRO 15 HD3 PRO 15 -0.051 3.871 5.314
80 H GLY 16 H GLY 16 0.145 6.505 2.164
81 HA2 GLY 16 HA2 GLY 16 0.381 7.943 0.349
82 HA3 GLY 16 HA3 GLY 16 1.414 9.010 1.314
83 H GLY 17 H GLY 17 3.577 8.367 1.745
84 HA2 GLY 17 HA2 GLY 17 4.690 6.112 0.154
85 HA3 GLY 17 HA3 GLY 17 5.300 7.737 -0.046
86 H THR 18 H THR 18 4.594 7.505 3.292
87 HA THR 18 HA THR 18 7.402 7.091 3.873
88 HB THR 18 HB THR 18 5.144 7.450 5.852
89 HG1 THR 18 HG1 THR 18 5.994 9.777 5.411
90 HG21 THR 18 HG21 THR 18 7.392 7.090 6.788
91 HG22 THR 18 HG22 THR 18 6.891 8.759 7.054
92 HG23 THR 18 HG23 THR 18 8.048 8.383 5.757
93 H GLY 19 H GLY 19 4.663 4.981 3.747
94 HA2 GLY 19 HA2 GLY 19 6.276 2.727 4.630
95 HA3 GLY 19 HA3 GLY 19 5.001 3.108 5.780
96 H CYS 20 H CYS 20 4.430 3.717 2.365
97 HA CYS 20 HA CYS 20 2.192 1.943 2.347
98 HB2 CYS 20 HB2 CYS 20 2.375 3.966 0.826
99 HB3 CYS 20 HB3 CYS 20 3.742 3.201 0.047
100 H ARG 21 H ARG 21 2.213 -0.267 1.915
101 HA ARG 21 HA ARG 21 4.614 -1.752 1.766
102 HB2 ARG 21 HB2 ARG 21 1.836 -2.832 1.227
103 HB3 ARG 21 HB3 ARG 21 3.194 -3.641 2.009
104 HG2 ARG 21 HG2 ARG 21 1.617 -1.310 3.119
105 HG3 ARG 21 HG3 ARG 21 1.324 -2.962 3.553
106 HD2 ARG 21 HD2 ARG 21 3.960 -1.503 4.051
107 HD3 ARG 21 HD3 ARG 21 2.658 -1.631 5.235
108 HE ARG 21 HE ARG 21 2.909 -4.182 4.735
109 HH11 ARG 21 HH11 ARG 21 5.536 -1.864 5.235
110 HH12 ARG 21 HH12 ARG 21 6.488 -2.949 6.194
111 HH21 ARG 21 HH21 ARG 21 4.299 -5.707 5.639
112 HH22 ARG 21 HH22 ARG 21 5.790 -5.241 6.381
113 H CYS 22 H CYS 22 4.115 -0.003 -0.514
114 HA CYS 22 HA CYS 22 4.262 -2.020 -2.631
115 HB2 CYS 22 HB2 CYS 22 2.681 0.534 -2.766
116 HB3 CYS 22 HB3 CYS 22 3.095 -0.429 -4.158
117 H THR 23 H THR 23 5.763 0.846 -1.188
118 HA THR 23 HA THR 23 7.229 1.573 -3.606
119 HB THR 23 HB THR 23 8.492 2.966 -1.855
120 HG1 THR 23 HG1 THR 23 8.102 2.387 0.145
121 HG21 THR 23 HG21 THR 23 5.498 3.445 -1.810
122 HG22 THR 23 HG22 THR 23 6.550 3.858 -3.192
123 HG23 THR 23 HG23 THR 23 6.807 4.628 -1.617
124 H SER 24 H SER 24 7.555 -0.541 -0.829
125 HA SER 24 HA SER 24 10.434 -1.037 -1.211
126 HB2 SER 24 HB2 SER 24 8.342 -2.046 0.781
127 HB3 SER 24 HB3 SER 24 10.068 -2.413 0.860
128 HG SER 24 HG SER 24 10.533 -0.293 1.188
129 H ALA 25 H ALA 25 11.227 -3.031 -1.832
130 HA ALA 25 HA ALA 25 9.326 -5.129 -2.786
131 HB1 ALA 25 HB1 ALA 25 11.920 -4.206 -4.098
132 HB2 ALA 25 HB2 ALA 25 10.867 -5.510 -4.668
133 HB3 ALA 25 HB3 ALA 25 10.284 -3.839 -4.692
134 H ARG 26 H ARG 26 10.510 -7.268 -2.968
135 HA ARG 26 HA ARG 26 11.661 -7.903 -0.433
136 HB2 ARG 26 HB2 ARG 26 10.476 -9.438 -2.331
137 HB3 ARG 26 HB3 ARG 26 12.162 -9.737 -2.756
138 HG2 ARG 26 HG2 ARG 26 11.560 -11.451 -1.281
139 HG3 ARG 26 HG3 ARG 26 12.559 -10.366 -0.309
140 HD2 ARG 26 HD2 ARG 26 10.623 -9.415 0.784
141 HD3 ARG 26 HD3 ARG 26 9.510 -10.136 -0.370
142 HE ARG 26 HE ARG 26 10.533 -11.272 2.024
143 HH11 ARG 26 HH11 ARG 26 9.366 -12.234 -1.233
144 HH12 ARG 26 HH12 ARG 26 9.280 -13.893 -0.871
145 HH21 ARG 26 HH21 ARG 26 10.074 -13.471 2.575
146 HH22 ARG 26 HH22 ARG 26 9.805 -14.624 1.304
Start of MODEL 23
1 H1 GLY 1 H GLY 1 -8.963 2.992 -9.718
2 HA2 GLY 1 HA2 GLY 1 -7.457 4.020 -11.435
3 HA3 GLY 1 HA3 GLY 1 -7.612 4.939 -9.932
4 H SER 2 H SER 2 -5.531 5.929 -10.495
5 HA SER 2 HA SER 2 -3.115 4.369 -10.556
6 HB2 SER 2 HB2 SER 2 -2.196 6.800 -10.430
7 HB3 SER 2 HB3 SER 2 -3.159 6.340 -11.837
8 HG SER 2 HG SER 2 -4.268 8.047 -11.315
9 H GLY 3 H GLY 3 -5.055 5.633 -7.957
10 HA2 GLY 3 HA2 GLY 3 -2.866 6.114 -6.105
11 HA3 GLY 3 HA3 GLY 3 -4.606 6.105 -5.755
12 H CYS 4 H CYS 4 -4.885 4.627 -4.129
13 HA CYS 4 HA CYS 4 -4.229 1.836 -4.618
14 HB2 CYS 4 HB2 CYS 4 -2.882 3.511 -2.505
15 HB3 CYS 4 HB3 CYS 4 -3.426 1.876 -2.088
16 H ASP 5 H ASP 5 -5.755 0.528 -3.506
17 HA ASP 5 HA ASP 5 -7.647 1.926 -1.680
18 HB2 ASP 5 HB2 ASP 5 -8.215 -0.224 -3.782
19 HB3 ASP 5 HB3 ASP 5 -9.399 0.670 -2.817
20 H ASP 6 H ASP 6 -8.901 0.377 -0.463
21 HA ASP 6 HA ASP 6 -7.366 -1.544 0.981
22 HB2 ASP 6 HB2 ASP 6 -9.416 -1.808 2.242
23 HB3 ASP 6 HB3 ASP 6 -9.178 -0.084 1.926
24 H LYS 7 H LYS 7 -8.444 -1.807 -1.934
25 HA LYS 7 HA LYS 7 -9.474 -4.614 -1.898
26 HB2 LYS 7 HB2 LYS 7 -9.654 -2.604 -4.170
27 HB3 LYS 7 HB3 LYS 7 -10.481 -4.150 -4.017
28 HG2 LYS 7 HG2 LYS 7 -11.052 -1.712 -2.288
29 HG3 LYS 7 HG3 LYS 7 -11.940 -2.159 -3.728
30 HD2 LYS 7 HD2 LYS 7 -12.661 -4.291 -2.673
31 HD3 LYS 7 HD3 LYS 7 -11.717 -3.878 -1.242
32 HE2 LYS 7 HE2 LYS 7 -13.929 -3.263 -0.684
33 HE3 LYS 7 HE3 LYS 7 -13.076 -1.749 -1.024
34 HZ1 LYS 7 HZ1 LYS 7 -15.087 -3.141 -2.697
35 HZ2 LYS 7 HZ2 LYS 7 -14.162 -1.932 -3.342
36 HZ3 LYS 7 HZ3 LYS 7 -15.136 -1.626 -2.092
37 H CYS 8 H CYS 8 -6.620 -2.837 -2.431
38 HA CYS 8 HA CYS 8 -5.658 -4.738 -4.533
39 HB2 CYS 8 HB2 CYS 8 -3.963 -3.219 -5.041
40 HB3 CYS 8 HB3 CYS 8 -5.456 -2.302 -5.028
41 H GLY 9 H GLY 9 -5.759 -4.666 -1.196
42 HA2 GLY 9 HA2 GLY 9 -4.533 -6.009 0.210
43 HA3 GLY 9 HA3 GLY 9 -3.281 -6.201 -1.019
44 H CYS 10 H CYS 10 -4.652 -3.082 0.365
45 HA CYS 10 HA CYS 10 -2.054 -2.496 1.639
46 HB2 CYS 10 HB2 CYS 10 -3.608 -0.703 -0.292
47 HB3 CYS 10 HB3 CYS 10 -2.657 -0.103 1.022
48 H ALA 11 H ALA 11 -2.579 -1.665 3.735
49 HA ALA 11 HA ALA 11 -5.355 -1.555 4.475
50 HB1 ALA 11 HB1 ALA 11 -3.444 -2.156 6.046
51 HB2 ALA 11 HB2 ALA 11 -2.865 -0.476 5.878
52 HB3 ALA 11 HB3 ALA 11 -4.434 -0.797 6.626
53 H VAL 12 H VAL 12 -6.265 0.483 5.277
54 HA VAL 12 HA VAL 12 -5.230 2.847 3.870
55 HB VAL 12 HB VAL 12 -7.349 3.510 3.210
56 HG11 VAL 12 HG11 VAL 12 -6.922 0.620 2.351
57 HG12 VAL 12 HG12 VAL 12 -7.733 1.889 1.430
58 HG13 VAL 12 HG13 VAL 12 -5.996 1.997 1.749
59 HG21 VAL 12 HG21 VAL 12 -9.348 2.002 3.324
60 HG22 VAL 12 HG22 VAL 12 -8.417 0.921 4.400
61 HG23 VAL 12 HG23 VAL 12 -8.838 2.566 4.919
62 HA PRO 13 HA PRO 13 -5.780 5.179 3.868
63 HB2 PRO 13 HB2 PRO 13 -4.265 7.182 4.905
64 HB3 PRO 13 HB3 PRO 13 -6.056 7.153 5.048
65 HG2 PRO 13 HG2 PRO 13 -4.007 6.222 7.100
66 HG3 PRO 13 HG3 PRO 13 -5.387 7.333 7.358
67 HD2 PRO 13 HD2 PRO 13 -5.587 4.677 7.931
68 HD3 PRO 13 HD3 PRO 13 -6.969 5.558 7.188
69 H CYS 14 H CYS 14 -4.039 4.863 2.542
70 HA CYS 14 HA CYS 14 -1.994 3.026 3.307
71 HB2 CYS 14 HB2 CYS 14 -2.811 4.054 0.902
72 HB3 CYS 14 HB3 CYS 14 -1.320 4.948 1.086
73 HA PRO 15 HA PRO 15 0.679 5.722 5.592
74 HB2 PRO 15 HB2 PRO 15 3.216 4.684 5.156
75 HB3 PRO 15 HB3 PRO 15 2.008 4.032 6.295
76 HG2 PRO 15 HG2 PRO 15 2.581 3.148 3.453
77 HG3 PRO 15 HG3 PRO 15 2.357 2.120 4.901
78 HD2 PRO 15 HD2 PRO 15 0.336 2.500 3.168
79 HD3 PRO 15 HD3 PRO 15 0.013 2.500 4.919
80 H GLY 16 H GLY 16 1.450 5.075 2.244
81 HA2 GLY 16 HA2 GLY 16 1.424 7.047 0.750
82 HA3 GLY 16 HA3 GLY 16 2.649 7.780 1.810
83 H GLY 17 H GLY 17 4.495 6.290 2.327
84 HA2 GLY 17 HA2 GLY 17 5.357 4.318 0.340
85 HA3 GLY 17 HA3 GLY 17 6.352 5.773 0.621
86 H THR 18 H THR 18 7.964 4.154 1.495
87 HA THR 18 HA THR 18 8.813 2.659 3.035
88 HB THR 18 HB THR 18 8.182 5.119 4.679
89 HG1 THR 18 HG1 THR 18 10.505 5.099 3.196
90 HG21 THR 18 HG21 THR 18 10.661 3.322 4.621
91 HG22 THR 18 HG22 THR 18 9.470 3.411 5.930
92 HG23 THR 18 HG23 THR 18 10.481 4.810 5.576
93 H GLY 19 H GLY 19 6.762 1.328 2.858
94 HA2 GLY 19 HA2 GLY 19 6.021 -0.168 4.837
95 HA3 GLY 19 HA3 GLY 19 5.147 1.264 5.359
96 H CYS 20 H CYS 20 5.049 1.491 2.062
97 HA CYS 20 HA CYS 20 2.260 0.570 2.000
98 HB2 CYS 20 HB2 CYS 20 2.766 2.539 0.671
99 HB3 CYS 20 HB3 CYS 20 4.082 1.697 -0.118
100 H ARG 21 H ARG 21 1.649 -1.644 1.351
101 HA ARG 21 HA ARG 21 3.645 -3.571 1.235
102 HB2 ARG 21 HB2 ARG 21 0.857 -3.738 0.013
103 HB3 ARG 21 HB3 ARG 21 1.893 -5.096 0.375
104 HG2 ARG 21 HG2 ARG 21 0.616 -3.251 2.424
105 HG3 ARG 21 HG3 ARG 21 0.126 -4.879 2.017
106 HD2 ARG 21 HD2 ARG 21 2.470 -5.646 2.730
107 HD3 ARG 21 HD3 ARG 21 2.696 -4.016 3.382
108 HE ARG 21 HE ARG 21 1.460 -4.551 5.181
109 HH11 ARG 21 HH11 ARG 21 0.658 -6.939 2.643
110 HH12 ARG 21 HH12 ARG 21 -0.096 -8.038 3.729
111 HH21 ARG 21 HH21 ARG 21 0.313 -6.029 6.615
112 HH22 ARG 21 HH22 ARG 21 -0.131 -7.596 6.064
113 H CYS 22 H CYS 22 2.152 -1.849 -1.346
114 HA CYS 22 HA CYS 22 3.101 -3.454 -3.398
115 HB2 CYS 22 HB2 CYS 22 2.296 -0.538 -3.562
116 HB3 CYS 22 HB3 CYS 22 2.525 -1.602 -4.935
117 H THR 23 H THR 23 4.975 -1.194 -1.567
118 HA THR 23 HA THR 23 7.094 -1.161 -3.639
119 HB THR 23 HB THR 23 7.613 1.142 -2.614
120 HG1 THR 23 HG1 THR 23 6.271 1.090 -0.834
121 HG21 THR 23 HG21 THR 23 6.616 0.845 -4.878
122 HG22 THR 23 HG22 THR 23 6.046 2.306 -4.063
123 HG23 THR 23 HG23 THR 23 4.993 0.882 -4.160
124 H SER 24 H SER 24 6.939 -3.269 -1.983
125 HA SER 24 HA SER 24 8.111 -2.986 0.551
126 HB2 SER 24 HB2 SER 24 6.899 -4.991 -0.699
127 HB3 SER 24 HB3 SER 24 8.564 -5.488 -1.044
128 HG SER 24 HG SER 24 8.958 -5.689 1.093
129 H ALA 25 H ALA 25 9.614 -2.409 -2.466
130 HA ALA 25 HA ALA 25 12.289 -3.303 -1.991
131 HB1 ALA 25 HB1 ALA 25 12.805 -1.515 -3.698
132 HB2 ALA 25 HB2 ALA 25 11.512 -2.617 -4.220
133 HB3 ALA 25 HB3 ALA 25 11.123 -0.990 -3.616
134 H ARG 26 H ARG 26 14.095 -2.168 -1.068
135 HA ARG 26 HA ARG 26 13.885 0.456 0.048
136 HB2 ARG 26 HB2 ARG 26 14.146 -0.063 2.363
137 HB3 ARG 26 HB3 ARG 26 12.625 -0.754 1.839
138 HG2 ARG 26 HG2 ARG 26 15.180 -2.362 2.252
139 HG3 ARG 26 HG3 ARG 26 13.961 -2.116 3.480
140 HD2 ARG 26 HD2 ARG 26 12.422 -3.509 2.523
141 HD3 ARG 26 HD3 ARG 26 12.991 -3.226 0.889
142 HE ARG 26 HE ARG 26 14.573 -4.827 1.015
143 HH11 ARG 26 HH11 ARG 26 13.198 -4.469 4.274
144 HH12 ARG 26 HH12 ARG 26 13.548 -6.092 4.732
145 HH21 ARG 26 HH21 ARG 26 15.040 -6.897 1.599
146 HH22 ARG 26 HH22 ARG 26 14.523 -7.558 3.142
Start of MODEL 24
1 H1 GLY 1 H GLY 1 -7.630 8.156 -12.680
2 HA2 GLY 1 HA2 GLY 1 -6.214 7.993 -10.675
3 HA3 GLY 1 HA3 GLY 1 -7.935 8.096 -10.274
4 H SER 2 H SER 2 -5.171 5.975 -10.529
5 HA SER 2 HA SER 2 -6.499 3.877 -8.878
6 HB2 SER 2 HB2 SER 2 -6.041 3.146 -11.192
7 HB3 SER 2 HB3 SER 2 -4.339 3.620 -11.024
8 HG SER 2 HG SER 2 -4.654 1.422 -10.777
9 H GLY 3 H GLY 3 -3.914 2.659 -8.307
10 HA2 GLY 3 HA2 GLY 3 -1.743 3.678 -7.470
11 HA3 GLY 3 HA3 GLY 3 -2.762 4.731 -6.485
12 H CYS 4 H CYS 4 -4.499 3.491 -5.058
13 HA CYS 4 HA CYS 4 -3.852 0.775 -4.336
14 HB2 CYS 4 HB2 CYS 4 -3.284 3.272 -2.691
15 HB3 CYS 4 HB3 CYS 4 -3.463 1.732 -1.929
16 H ASP 5 H ASP 5 -5.247 -0.041 -2.763
17 HA ASP 5 HA ASP 5 -7.289 1.452 -1.346
18 HB2 ASP 5 HB2 ASP 5 -7.916 -0.899 -3.174
19 HB3 ASP 5 HB3 ASP 5 -9.050 -0.063 -2.126
20 H ASP 6 H ASP 6 -8.433 -0.539 -0.019
21 HA ASP 6 HA ASP 6 -6.375 -1.880 1.460
22 HB2 ASP 6 HB2 ASP 6 -8.366 -2.793 2.731
23 HB3 ASP 6 HB3 ASP 6 -8.186 -1.063 2.704
24 H LYS 7 H LYS 7 -7.455 -2.625 -1.394
25 HA LYS 7 HA LYS 7 -7.680 -5.587 -1.083
26 HB2 LYS 7 HB2 LYS 7 -8.553 -5.646 -3.259
27 HB3 LYS 7 HB3 LYS 7 -9.288 -4.224 -2.504
28 HG2 LYS 7 HG2 LYS 7 -7.235 -2.950 -3.662
29 HG3 LYS 7 HG3 LYS 7 -7.180 -4.398 -4.676
30 HD2 LYS 7 HD2 LYS 7 -9.677 -3.974 -5.148
31 HD3 LYS 7 HD3 LYS 7 -9.464 -2.422 -4.323
32 HE2 LYS 7 HE2 LYS 7 -7.385 -2.230 -6.023
33 HE3 LYS 7 HE3 LYS 7 -8.329 -3.410 -6.944
34 HZ1 LYS 7 HZ1 LYS 7 -8.946 -1.221 -7.644
35 HZ2 LYS 7 HZ2 LYS 7 -9.186 -0.709 -6.097
36 HZ3 LYS 7 HZ3 LYS 7 -10.197 -1.829 -6.800
37 H CYS 8 H CYS 8 -5.411 -3.114 -1.788
38 HA CYS 8 HA CYS 8 -3.593 -4.949 -3.238
39 HB2 CYS 8 HB2 CYS 8 -2.528 -3.157 -4.057
40 HB3 CYS 8 HB3 CYS 8 -4.244 -2.769 -4.202
41 H GLY 9 H GLY 9 -4.078 -5.052 -0.294
42 HA2 GLY 9 HA2 GLY 9 -2.759 -5.530 1.537
43 HA3 GLY 9 HA3 GLY 9 -1.358 -5.506 0.453
44 H CYS 10 H CYS 10 -3.713 -2.880 1.299
45 HA CYS 10 HA CYS 10 -1.449 -1.418 2.562
46 HB2 CYS 10 HB2 CYS 10 -3.374 -0.456 0.421
47 HB3 CYS 10 HB3 CYS 10 -2.752 0.604 1.694
48 H ALA 11 H ALA 11 -2.045 -0.596 4.504
49 HA ALA 11 HA ALA 11 -4.719 -1.186 5.448
50 HB1 ALA 11 HB1 ALA 11 -3.932 0.053 7.457
51 HB2 ALA 11 HB2 ALA 11 -2.836 -1.272 7.025
52 HB3 ALA 11 HB3 ALA 11 -2.393 0.406 6.629
53 H VAL 12 H VAL 12 -6.299 0.465 5.653
54 HA VAL 12 HA VAL 12 -5.723 2.891 4.065
55 HB VAL 12 HB VAL 12 -7.934 2.903 3.213
56 HG11 VAL 12 HG11 VAL 12 -7.607 1.150 1.561
57 HG12 VAL 12 HG12 VAL 12 -6.050 1.906 1.941
58 HG13 VAL 12 HG13 VAL 12 -6.437 0.309 2.589
59 HG21 VAL 12 HG21 VAL 12 -9.184 1.661 4.887
60 HG22 VAL 12 HG22 VAL 12 -9.318 0.802 3.361
61 HG23 VAL 12 HG23 VAL 12 -8.227 0.194 4.614
62 HA PRO 13 HA PRO 13 -6.785 5.065 3.729
63 HB2 PRO 13 HB2 PRO 13 -5.764 7.411 4.735
64 HB3 PRO 13 HB3 PRO 13 -7.515 7.062 4.571
65 HG2 PRO 13 HG2 PRO 13 -5.783 6.833 7.042
66 HG3 PRO 13 HG3 PRO 13 -7.429 7.523 6.893
67 HD2 PRO 13 HD2 PRO 13 -6.970 4.976 7.791
68 HD3 PRO 13 HD3 PRO 13 -8.406 5.382 6.813
69 H CYS 14 H CYS 14 -4.917 4.785 2.504
70 HA CYS 14 HA CYS 14 -2.527 3.758 3.804
71 HB2 CYS 14 HB2 CYS 14 -3.236 2.983 1.600
72 HB3 CYS 14 HB3 CYS 14 -3.121 4.617 0.941
73 HA PRO 15 HA PRO 15 -0.798 7.844 4.534
74 HB2 PRO 15 HB2 PRO 15 1.898 7.255 4.846
75 HB3 PRO 15 HB3 PRO 15 0.652 6.990 6.089
76 HG2 PRO 15 HG2 PRO 15 1.771 4.995 4.105
77 HG3 PRO 15 HG3 PRO 15 1.510 4.777 5.867
78 HD2 PRO 15 HD2 PRO 15 -0.276 3.840 4.069
79 HD3 PRO 15 HD3 PRO 15 -0.832 4.605 5.588
80 H GLY 16 H GLY 16 -0.149 6.002 1.744
81 HA2 GLY 16 HA2 GLY 16 0.543 6.554 -0.378
82 HA3 GLY 16 HA3 GLY 16 0.391 8.242 0.107
83 H GLY 17 H GLY 17 2.617 6.959 2.239
84 HA2 GLY 17 HA2 GLY 17 4.962 7.594 0.527
85 HA3 GLY 17 HA3 GLY 17 4.734 8.080 2.222
86 H THR 18 H THR 18 6.871 7.037 2.616
87 HA THR 18 HA THR 18 7.465 4.405 2.119
88 HB THR 18 HB THR 18 8.924 4.666 4.209
89 HG1 THR 18 HG1 THR 18 7.827 6.234 5.344
90 HG21 THR 18 HG21 THR 18 10.423 6.225 3.050
91 HG22 THR 18 HG22 THR 18 9.090 6.824 2.054
92 HG23 THR 18 HG23 THR 18 9.673 5.152 1.866
93 H GLY 19 H GLY 19 5.285 5.515 4.722
94 HA2 GLY 19 HA2 GLY 19 5.263 3.109 6.234
95 HA3 GLY 19 HA3 GLY 19 3.953 4.295 6.173
96 H CYS 20 H CYS 20 4.166 3.661 3.055
97 HA CYS 20 HA CYS 20 1.884 1.931 2.851
98 HB2 CYS 20 HB2 CYS 20 2.703 3.792 1.186
99 HB3 CYS 20 HB3 CYS 20 4.049 2.744 0.868
100 H ARG 21 H ARG 21 2.066 -0.311 1.632
101 HA ARG 21 HA ARG 21 4.520 -1.686 2.612
102 HB2 ARG 21 HB2 ARG 21 1.997 -3.041 1.714
103 HB3 ARG 21 HB3 ARG 21 3.323 -3.683 2.648
104 HG2 ARG 21 HG2 ARG 21 1.299 -1.572 3.532
105 HG3 ARG 21 HG3 ARG 21 1.379 -3.221 4.088
106 HD2 ARG 21 HD2 ARG 21 3.422 -2.805 5.342
107 HD3 ARG 21 HD3 ARG 21 3.649 -1.242 4.579
108 HE ARG 21 HE ARG 21 2.247 -0.257 6.028
109 HH11 ARG 21 HH11 ARG 21 1.801 -3.837 6.457
110 HH12 ARG 21 HH12 ARG 21 0.911 -3.564 7.933
111 HH21 ARG 21 HH21 ARG 21 1.036 -0.113 7.989
112 HH22 ARG 21 HH22 ARG 21 0.564 -1.595 8.789
113 H CYS 22 H CYS 22 2.665 -1.272 -0.408
114 HA CYS 22 HA CYS 22 4.357 -2.731 -2.094
115 HB2 CYS 22 HB2 CYS 22 3.224 -0.111 -3.056
116 HB3 CYS 22 HB3 CYS 22 3.574 -1.534 -3.950
117 H THR 23 H THR 23 5.166 0.353 -0.566
118 HA THR 23 HA THR 23 6.825 1.527 -2.549
119 HB THR 23 HB THR 23 7.935 2.316 -0.195
120 HG1 THR 23 HG1 THR 23 6.707 1.859 1.488
121 HG21 THR 23 HG21 THR 23 6.713 3.789 -1.737
122 HG22 THR 23 HG22 THR 23 6.256 4.106 -0.066
123 HG23 THR 23 HG23 THR 23 5.159 3.187 -1.127
124 H SER 24 H SER 24 7.318 -0.860 -0.016
125 HA SER 24 HA SER 24 10.144 -1.246 -0.389
126 HB2 SER 24 HB2 SER 24 8.539 -1.447 1.681
127 HB3 SER 24 HB3 SER 24 8.151 -3.026 1.019
128 HG SER 24 HG SER 24 10.336 -2.080 2.332
129 H ALA 25 H ALA 25 11.062 -2.671 -1.896
130 HA ALA 25 HA ALA 25 9.265 -4.281 -3.627
131 HB1 ALA 25 HB1 ALA 25 11.120 -2.902 -4.619
132 HB2 ALA 25 HB2 ALA 25 12.290 -3.938 -3.766
133 HB3 ALA 25 HB3 ALA 25 11.223 -4.629 -4.996
134 H ARG 26 H ARG 26 10.482 -6.619 -4.076
135 HA ARG 26 HA ARG 26 10.974 -7.762 -1.354
136 HB2 ARG 26 HB2 ARG 26 8.784 -8.436 -2.435
137 HB3 ARG 26 HB3 ARG 26 9.724 -9.289 -3.661
138 HG2 ARG 26 HG2 ARG 26 10.272 -9.775 -0.716
139 HG3 ARG 26 HG3 ARG 26 8.851 -10.497 -1.457
140 HD2 ARG 26 HD2 ARG 26 10.075 -11.916 -2.822
141 HD3 ARG 26 HD3 ARG 26 11.483 -10.849 -2.849
142 HE ARG 26 HE ARG 26 10.765 -12.163 -0.300
143 HH11 ARG 26 HH11 ARG 26 12.848 -12.270 -3.164
144 HH12 ARG 26 HH12 ARG 26 14.256 -12.849 -2.363
145 HH21 ARG 26 HH21 ARG 26 12.511 -13.127 0.780
146 HH22 ARG 26 HH22 ARG 26 14.004 -13.512 -0.014
Start of MODEL 25
1 H1 GLY 1 H GLY 1 -6.015 2.311 -11.803
2 HA2 GLY 1 HA2 GLY 1 -5.627 4.591 -12.679
3 HA3 GLY 1 HA3 GLY 1 -7.129 4.476 -11.756
4 H SER 2 H SER 2 -7.355 5.769 -9.912
5 HA SER 2 HA SER 2 -5.862 7.916 -9.350
6 HB2 SER 2 HB2 SER 2 -7.178 6.378 -7.099
7 HB3 SER 2 HB3 SER 2 -7.098 8.129 -7.346
8 HG SER 2 HG SER 2 -8.447 7.802 -9.214
9 H GLY 3 H GLY 3 -4.939 4.669 -8.248
10 HA2 GLY 3 HA2 GLY 3 -2.346 5.020 -7.775
11 HA3 GLY 3 HA3 GLY 3 -2.976 5.786 -6.337
12 H CYS 4 H CYS 4 -4.139 4.530 -4.807
13 HA CYS 4 HA CYS 4 -3.772 1.573 -5.092
14 HB2 CYS 4 HB2 CYS 4 -2.163 3.319 -3.620
15 HB3 CYS 4 HB3 CYS 4 -3.307 2.801 -2.423
16 H ASP 5 H ASP 5 -5.140 0.262 -3.521
17 HA ASP 5 HA ASP 5 -7.358 1.749 -2.310
18 HB2 ASP 5 HB2 ASP 5 -7.571 -0.908 -3.740
19 HB3 ASP 5 HB3 ASP 5 -8.874 0.158 -3.193
20 H ASP 6 H ASP 6 -8.434 -0.126 -0.855
21 HA ASP 6 HA ASP 6 -6.301 -1.355 0.756
22 HB2 ASP 6 HB2 ASP 6 -8.102 -1.712 2.359
23 HB3 ASP 6 HB3 ASP 6 -8.171 -0.042 1.806
24 H LYS 7 H LYS 7 -8.302 -2.043 -1.747
25 HA LYS 7 HA LYS 7 -8.958 -4.855 -1.182
26 HB2 LYS 7 HB2 LYS 7 -10.051 -4.905 -3.409
27 HB3 LYS 7 HB3 LYS 7 -10.713 -3.741 -2.273
28 HG2 LYS 7 HG2 LYS 7 -9.541 -1.924 -3.411
29 HG3 LYS 7 HG3 LYS 7 -8.843 -3.064 -4.569
30 HD2 LYS 7 HD2 LYS 7 -10.611 -2.006 -5.693
31 HD3 LYS 7 HD3 LYS 7 -11.266 -3.588 -5.256
32 HE2 LYS 7 HE2 LYS 7 -12.594 -2.630 -3.463
33 HE3 LYS 7 HE3 LYS 7 -11.661 -1.126 -3.512
34 HZ1 LYS 7 HZ1 LYS 7 -13.646 -0.625 -4.522
35 HZ2 LYS 7 HZ2 LYS 7 -13.730 -1.984 -5.418
36 HZ3 LYS 7 HZ3 LYS 7 -12.626 -0.779 -5.775
37 H CYS 8 H CYS 8 -6.431 -3.094 -2.650
38 HA CYS 8 HA CYS 8 -5.416 -5.258 -4.280
39 HB2 CYS 8 HB2 CYS 8 -3.512 -3.937 -4.580
40 HB3 CYS 8 HB3 CYS 8 -4.923 -2.863 -4.660
41 H GLY 9 H GLY 9 -5.614 -4.914 -0.871
42 HA2 GLY 9 HA2 GLY 9 -4.724 -6.427 0.653
43 HA3 GLY 9 HA3 GLY 9 -3.388 -6.799 -0.425
44 H CYS 10 H CYS 10 -4.373 -3.382 0.303
45 HA CYS 10 HA CYS 10 -1.752 -3.111 1.796
46 HB2 CYS 10 HB2 CYS 10 -3.218 -1.163 -0.016
47 HB3 CYS 10 HB3 CYS 10 -2.270 -0.623 1.346
48 H ALA 11 H ALA 11 -2.041 -2.400 3.921
49 HA ALA 11 HA ALA 11 -4.629 -2.064 4.986
50 HB1 ALA 11 HB1 ALA 11 -1.825 -1.322 5.972
51 HB2 ALA 11 HB2 ALA 11 -3.293 -1.202 6.967
52 HB3 ALA 11 HB3 ALA 11 -2.755 -2.787 6.381
53 H VAL 12 H VAL 12 -5.435 -0.073 5.827
54 HA VAL 12 HA VAL 12 -4.504 2.362 4.443
55 HB VAL 12 HB VAL 12 -6.950 2.982 4.117
56 HG11 VAL 12 HG11 VAL 12 -7.021 1.890 1.956
57 HG12 VAL 12 HG12 VAL 12 -5.361 2.382 2.309
58 HG13 VAL 12 HG13 VAL 12 -5.837 0.672 2.480
59 HG21 VAL 12 HG21 VAL 12 -7.416 -0.016 4.345
60 HG22 VAL 12 HG22 VAL 12 -7.954 1.186 5.533
61 HG23 VAL 12 HG23 VAL 12 -8.589 1.234 3.883
62 HA PRO 13 HA PRO 13 -5.633 4.743 4.409
63 HB2 PRO 13 HB2 PRO 13 -4.375 6.969 5.356
64 HB3 PRO 13 HB3 PRO 13 -6.112 6.629 5.633
65 HG2 PRO 13 HG2 PRO 13 -3.784 6.109 7.513
66 HG3 PRO 13 HG3 PRO 13 -5.353 6.884 7.893
67 HD2 PRO 13 HD2 PRO 13 -4.887 4.244 8.403
68 HD3 PRO 13 HD3 PRO 13 -6.491 4.818 7.863
69 H CYS 14 H CYS 14 -3.973 4.475 2.849
70 HA CYS 14 HA CYS 14 -1.681 3.037 3.647
71 HB2 CYS 14 HB2 CYS 14 -2.889 3.710 1.196
72 HB3 CYS 14 HB3 CYS 14 -1.321 4.519 1.139
73 HA PRO 15 HA PRO 15 0.945 6.405 4.961
74 HB2 PRO 15 HB2 PRO 15 3.429 5.255 4.857
75 HB3 PRO 15 HB3 PRO 15 2.198 4.800 6.058
76 HG2 PRO 15 HG2 PRO 15 2.808 3.491 3.389
77 HG3 PRO 15 HG3 PRO 15 2.694 2.685 4.987
78 HD2 PRO 15 HD2 PRO 15 0.616 2.709 3.268
79 HD3 PRO 15 HD3 PRO 15 0.317 2.925 5.013
80 H GLY 16 H GLY 16 0.748 5.359 1.794
81 HA2 GLY 16 HA2 GLY 16 1.148 6.582 -0.154
82 HA3 GLY 16 HA3 GLY 16 2.135 7.717 0.772
83 H GLY 17 H GLY 17 4.243 6.989 1.514
84 HA2 GLY 17 HA2 GLY 17 5.462 4.718 0.014
85 HA3 GLY 17 HA3 GLY 17 6.149 6.338 -0.020
86 H THR 18 H THR 18 5.270 6.437 3.159
87 HA THR 18 HA THR 18 7.865 5.814 4.043
88 HB THR 18 HB THR 18 5.413 5.715 5.848
89 HG1 THR 18 HG1 THR 18 6.220 8.079 6.059
90 HG21 THR 18 HG21 THR 18 8.230 6.762 6.362
91 HG22 THR 18 HG22 THR 18 7.665 5.150 6.843
92 HG23 THR 18 HG23 THR 18 6.918 6.582 7.548
93 H GLY 19 H GLY 19 4.912 3.788 4.029
94 HA2 GLY 19 HA2 GLY 19 6.606 1.362 4.240
95 HA3 GLY 19 HA3 GLY 19 5.358 1.621 5.476
96 H CYS 20 H CYS 20 4.931 2.428 1.995
97 HA CYS 20 HA CYS 20 2.484 0.964 1.916
98 HB2 CYS 20 HB2 CYS 20 2.903 2.760 0.329
99 HB3 CYS 20 HB3 CYS 20 4.260 1.875 -0.367
100 H ARG 21 H ARG 21 2.102 -1.216 1.619
101 HA ARG 21 HA ARG 21 4.248 -3.064 1.675
102 HB2 ARG 21 HB2 ARG 21 1.320 -3.515 0.989
103 HB3 ARG 21 HB3 ARG 21 2.467 -4.741 1.532
104 HG2 ARG 21 HG2 ARG 21 1.464 -2.391 3.231
105 HG3 ARG 21 HG3 ARG 21 0.854 -4.030 3.256
106 HD2 ARG 21 HD2 ARG 21 2.293 -3.915 5.093
107 HD3 ARG 21 HD3 ARG 21 3.212 -4.806 3.867
108 HE ARG 21 HE ARG 21 3.913 -2.025 3.727
109 HH11 ARG 21 HH11 ARG 21 4.089 -4.606 6.169
110 HH12 ARG 21 HH12 ARG 21 5.504 -3.979 6.922
111 HH21 ARG 21 HH21 ARG 21 6.025 -1.441 4.456
112 HH22 ARG 21 HH22 ARG 21 6.586 -2.044 5.971
113 H CYS 22 H CYS 22 2.952 -1.460 -1.036
114 HA CYS 22 HA CYS 22 3.604 -3.720 -2.780
115 HB2 CYS 22 HB2 CYS 22 2.712 -0.999 -3.731
116 HB3 CYS 22 HB3 CYS 22 2.998 -2.430 -4.667
117 H THR 23 H THR 23 4.329 -0.226 -3.210
118 HA THR 23 HA THR 23 6.873 -0.608 -4.365
119 HB THR 23 HB THR 23 5.482 1.204 -4.985
120 HG1 THR 23 HG1 THR 23 6.915 3.025 -4.348
121 HG21 THR 23 HG21 THR 23 4.877 3.120 -3.629
122 HG22 THR 23 HG22 THR 23 5.605 2.394 -2.191
123 HG23 THR 23 HG23 THR 23 4.165 1.662 -2.954
124 H SER 24 H SER 24 8.315 -1.625 -3.197
125 HA SER 24 HA SER 24 9.320 -0.397 -0.747
126 HB2 SER 24 HB2 SER 24 7.342 -2.274 -0.398
127 HB3 SER 24 HB3 SER 24 8.751 -3.338 -0.459
128 HG SER 24 HG SER 24 8.646 -2.836 1.586
129 H ALA 25 H ALA 25 9.604 -2.810 -3.339
130 HA ALA 25 HA ALA 25 11.305 -3.974 -4.194
131 HB1 ALA 25 HB1 ALA 25 12.018 -1.809 -4.972
132 HB2 ALA 25 HB2 ALA 25 12.884 -1.496 -3.431
133 HB3 ALA 25 HB3 ALA 25 13.419 -2.773 -4.525
134 H ARG 26 H ARG 26 10.639 -4.828 -1.666
135 HA ARG 26 HA ARG 26 13.157 -5.376 -0.201
136 HB2 ARG 26 HB2 ARG 26 11.148 -4.615 1.096
137 HB3 ARG 26 HB3 ARG 26 10.258 -6.027 0.509
138 HG2 ARG 26 HG2 ARG 26 12.070 -7.493 1.603
139 HG3 ARG 26 HG3 ARG 26 12.769 -6.005 2.256
140 HD2 ARG 26 HD2 ARG 26 11.402 -6.997 3.964
141 HD3 ARG 26 HD3 ARG 26 10.579 -5.538 3.386
142 HE ARG 26 HE ARG 26 9.848 -8.019 2.043
143 HH11 ARG 26 HH11 ARG 26 8.998 -5.901 4.786
144 HH12 ARG 26 HH12 ARG 26 7.422 -6.616 5.002
145 HH21 ARG 26 HH21 ARG 26 7.735 -8.904 2.339
146 HH22 ARG 26 HH22 ARG 26 6.641 -8.211 3.494
Start of MODEL 26
1 H1 GLY 1 H GLY 1 -7.015 9.522 -7.678
2 HA2 GLY 1 HA2 GLY 1 -4.826 8.475 -7.785
3 HA3 GLY 1 HA3 GLY 1 -5.820 7.709 -6.514
4 H SER 2 H SER 2 -3.610 6.514 -8.022
5 HA SER 2 HA SER 2 -5.029 4.136 -9.036
6 HB2 SER 2 HB2 SER 2 -2.770 5.509 -10.566
7 HB3 SER 2 HB3 SER 2 -3.641 4.042 -11.044
8 HG SER 2 HG SER 2 -5.549 5.333 -11.183
9 H GLY 3 H GLY 3 -3.397 2.289 -9.220
10 HA2 GLY 3 HA2 GLY 3 -1.617 1.071 -8.507
11 HA3 GLY 3 HA3 GLY 3 -0.899 2.552 -7.834
12 H CYS 4 H CYS 4 -3.627 2.730 -6.359
13 HA CYS 4 HA CYS 4 -3.263 0.591 -4.371
14 HB2 CYS 4 HB2 CYS 4 -2.180 3.339 -4.007
15 HB3 CYS 4 HB3 CYS 4 -3.156 2.787 -2.672
16 H ASP 5 H ASP 5 -5.125 -0.071 -3.555
17 HA ASP 5 HA ASP 5 -7.266 1.822 -2.929
18 HB2 ASP 5 HB2 ASP 5 -7.375 -0.913 -4.292
19 HB3 ASP 5 HB3 ASP 5 -8.784 0.032 -3.747
20 H ASP 6 H ASP 6 -8.785 0.195 -1.394
21 HA ASP 6 HA ASP 6 -6.946 -0.609 0.783
22 HB2 ASP 6 HB2 ASP 6 -8.687 0.828 1.386
23 HB3 ASP 6 HB3 ASP 6 -9.886 0.005 0.396
24 H LYS 7 H LYS 7 -8.601 -1.936 -1.810
25 HA LYS 7 HA LYS 7 -9.247 -4.571 -0.697
26 HB2 LYS 7 HB2 LYS 7 -9.522 -3.299 -3.400
27 HB3 LYS 7 HB3 LYS 7 -9.580 -5.071 -3.278
28 HG2 LYS 7 HG2 LYS 7 -11.396 -5.071 -1.784
29 HG3 LYS 7 HG3 LYS 7 -11.198 -3.364 -1.376
30 HD2 LYS 7 HD2 LYS 7 -11.875 -2.720 -3.664
31 HD3 LYS 7 HD3 LYS 7 -12.165 -4.412 -4.050
32 HE2 LYS 7 HE2 LYS 7 -13.604 -2.770 -1.910
33 HE3 LYS 7 HE3 LYS 7 -14.266 -3.276 -3.475
34 HZ1 LYS 7 HZ1 LYS 7 -13.965 -5.604 -2.685
35 HZ2 LYS 7 HZ2 LYS 7 -15.070 -4.732 -1.827
36 HZ3 LYS 7 HZ3 LYS 7 -13.621 -5.032 -1.177
37 H CYS 8 H CYS 8 -6.602 -3.133 -2.253
38 HA CYS 8 HA CYS 8 -5.187 -5.567 -2.827
39 HB2 CYS 8 HB2 CYS 8 -3.349 -4.230 -3.343
40 HB3 CYS 8 HB3 CYS 8 -4.834 -3.408 -3.913
41 H GLY 9 H GLY 9 -6.300 -4.668 0.045
42 HA2 GLY 9 HA2 GLY 9 -5.915 -5.336 2.178
43 HA3 GLY 9 HA3 GLY 9 -4.505 -6.249 1.614
44 H CYS 10 H CYS 10 -5.108 -2.771 1.106
45 HA CYS 10 HA CYS 10 -2.588 -2.214 2.726
46 HB2 CYS 10 HB2 CYS 10 -3.777 -1.018 0.273
47 HB3 CYS 10 HB3 CYS 10 -3.294 0.139 1.496
48 H ALA 11 H ALA 11 -2.804 -0.879 4.422
49 HA ALA 11 HA ALA 11 -5.412 -0.114 5.356
50 HB1 ALA 11 HB1 ALA 11 -3.716 -0.651 6.982
51 HB2 ALA 11 HB2 ALA 11 -2.553 0.492 6.266
52 HB3 ALA 11 HB3 ALA 11 -3.996 1.088 7.107
53 H VAL 12 H VAL 12 -6.263 1.912 5.267
54 HA VAL 12 HA VAL 12 -4.972 3.934 3.608
55 HB VAL 12 HB VAL 12 -7.183 4.427 2.575
56 HG11 VAL 12 HG11 VAL 12 -5.407 3.068 1.459
57 HG12 VAL 12 HG12 VAL 12 -6.198 1.591 2.060
58 HG13 VAL 12 HG13 VAL 12 -7.058 2.651 0.935
59 HG21 VAL 12 HG21 VAL 12 -8.953 2.793 2.628
60 HG22 VAL 12 HG22 VAL 12 -8.039 1.729 3.720
61 HG23 VAL 12 HG23 VAL 12 -8.638 3.304 4.285
62 HA PRO 13 HA PRO 13 -6.141 6.423 2.956
63 HB2 PRO 13 HB2 PRO 13 -4.783 8.668 3.867
64 HB3 PRO 13 HB3 PRO 13 -6.568 8.524 3.801
65 HG2 PRO 13 HG2 PRO 13 -4.758 8.045 6.181
66 HG3 PRO 13 HG3 PRO 13 -6.270 8.997 6.130
67 HD2 PRO 13 HD2 PRO 13 -6.288 6.484 7.046
68 HD3 PRO 13 HD3 PRO 13 -7.607 7.055 6.000
69 H CYS 14 H CYS 14 -4.232 6.078 1.670
70 HA CYS 14 HA CYS 14 -2.229 4.540 3.020
71 HB2 CYS 14 HB2 CYS 14 -2.637 5.309 0.133
72 HB3 CYS 14 HB3 CYS 14 -1.000 4.959 0.705
73 HA PRO 15 HA PRO 15 0.236 7.936 4.480
74 HB2 PRO 15 HB2 PRO 15 2.557 6.610 5.162
75 HB3 PRO 15 HB3 PRO 15 1.042 6.510 6.101
76 HG2 PRO 15 HG2 PRO 15 2.048 4.550 4.031
77 HG3 PRO 15 HG3 PRO 15 1.415 4.203 5.676
78 HD2 PRO 15 HD2 PRO 15 -0.169 3.992 3.504
79 HD3 PRO 15 HD3 PRO 15 -0.806 4.686 5.023
80 H GLY 16 H GLY 16 1.470 5.694 2.070
81 HA2 GLY 16 HA2 GLY 16 2.117 6.806 -0.082
82 HA3 GLY 16 HA3 GLY 16 3.374 7.637 0.878
83 H GLY 17 H GLY 17 5.286 6.568 0.988
84 HA2 GLY 17 HA2 GLY 17 5.388 3.647 0.437
85 HA3 GLY 17 HA3 GLY 17 6.659 4.820 0.124
86 H THR 18 H THR 18 5.253 5.636 3.125
87 HA THR 18 HA THR 18 7.388 4.267 4.616
88 HB THR 18 HB THR 18 6.569 6.046 6.296
89 HG1 THR 18 HG1 THR 18 5.345 7.562 5.616
90 HG21 THR 18 HG21 THR 18 8.070 7.723 5.366
91 HG22 THR 18 HG22 THR 18 7.942 6.986 3.753
92 HG23 THR 18 HG23 THR 18 8.744 6.114 5.079
93 H GLY 19 H GLY 19 6.683 2.311 5.312
94 HA2 GLY 19 HA2 GLY 19 5.546 0.889 6.718
95 HA3 GLY 19 HA3 GLY 19 4.400 2.166 7.106
96 H CYS 20 H CYS 20 4.495 2.009 3.756
97 HA CYS 20 HA CYS 20 1.873 0.779 3.586
98 HB2 CYS 20 HB2 CYS 20 2.802 2.695 2.137
99 HB3 CYS 20 HB3 CYS 20 3.868 1.501 1.409
100 H ARG 21 H ARG 21 1.382 -1.360 2.386
101 HA ARG 21 HA ARG 21 3.609 -3.221 2.866
102 HB2 ARG 21 HB2 ARG 21 2.080 -4.944 2.857
103 HB3 ARG 21 HB3 ARG 21 1.326 -3.629 3.709
104 HG2 ARG 21 HG2 ARG 21 -0.497 -4.118 2.500
105 HG3 ARG 21 HG3 ARG 21 0.287 -3.205 1.213
106 HD2 ARG 21 HD2 ARG 21 -0.467 -5.326 0.299
107 HD3 ARG 21 HD3 ARG 21 1.296 -5.365 0.399
108 HE ARG 21 HE ARG 21 -0.164 -6.468 2.685
109 HH11 ARG 21 HH11 ARG 21 1.263 -7.296 -0.484
110 HH12 ARG 21 HH12 ARG 21 0.944 -9.009 -0.234
111 HH21 ARG 21 HH21 ARG 21 -0.271 -8.738 3.020
112 HH22 ARG 21 HH22 ARG 21 0.298 -9.781 1.742
113 H CYS 22 H CYS 22 2.758 -1.582 0.037
114 HA CYS 22 HA CYS 22 3.549 -3.921 -1.647
115 HB2 CYS 22 HB2 CYS 22 2.731 -1.310 -2.845
116 HB3 CYS 22 HB3 CYS 22 2.649 -2.921 -3.494
117 H THR 23 H THR 23 4.460 -0.380 -1.371
118 HA THR 23 HA THR 23 6.588 -0.469 -3.146
119 HB THR 23 HB THR 23 7.280 1.585 -1.675
120 HG1 THR 23 HG1 THR 23 6.217 1.239 0.217
121 HG21 THR 23 HG21 THR 23 4.506 1.413 -2.901
122 HG22 THR 23 HG22 THR 23 6.001 1.779 -3.771
123 HG23 THR 23 HG23 THR 23 5.388 2.909 -2.549
124 H SER 24 H SER 24 6.436 -1.407 0.271
125 HA SER 24 HA SER 24 9.295 -1.765 0.513
126 HB2 SER 24 HB2 SER 24 7.805 -1.247 2.431
127 HB3 SER 24 HB3 SER 24 7.017 -2.824 2.256
128 HG SER 24 HG SER 24 8.678 -2.881 3.807
129 H ALA 25 H ALA 25 9.941 -3.079 -1.123
130 HA ALA 25 HA ALA 25 9.498 -5.929 -0.979
131 HB1 ALA 25 HB1 ALA 25 8.856 -6.181 -3.362
132 HB2 ALA 25 HB2 ALA 25 7.578 -5.380 -2.428
133 HB3 ALA 25 HB3 ALA 25 8.621 -4.424 -3.500
134 H ARG 26 H ARG 26 11.663 -5.596 -0.307
135 HA ARG 26 HA ARG 26 13.608 -4.171 -1.855
136 HB2 ARG 26 HB2 ARG 26 14.050 -4.525 0.481
137 HB3 ARG 26 HB3 ARG 26 13.803 -6.270 0.337
138 HG2 ARG 26 HG2 ARG 26 16.185 -5.672 0.556
139 HG3 ARG 26 HG3 ARG 26 15.823 -6.547 -0.926
140 HD2 ARG 26 HD2 ARG 26 15.808 -4.271 -2.130
141 HD3 ARG 26 HD3 ARG 26 16.410 -3.576 -0.633
142 HE ARG 26 HE ARG 26 18.474 -4.491 -1.015
143 HH11 ARG 26 HH11 ARG 26 16.204 -5.852 -3.428
144 HH12 ARG 26 HH12 ARG 26 17.458 -6.514 -4.410
145 HH21 ARG 26 HH21 ARG 26 20.035 -5.775 -2.044
146 HH22 ARG 26 HH22 ARG 26 19.718 -6.600 -3.513
Start of MODEL 27
1 H1 GLY 1 H GLY 1 -0.911 9.419 -9.655
2 HA2 GLY 1 HA2 GLY 1 -0.088 8.083 -12.161
3 HA3 GLY 1 HA3 GLY 1 0.933 8.307 -10.742
4 H SER 2 H SER 2 -0.679 7.428 -8.645
5 HA SER 2 HA SER 2 -1.474 4.656 -9.318
6 HB2 SER 2 HB2 SER 2 0.936 4.931 -8.445
7 HB3 SER 2 HB3 SER 2 0.224 5.517 -6.931
8 HG SER 2 HG SER 2 -0.126 3.003 -8.210
9 H GLY 3 H GLY 3 -2.699 3.725 -7.327
10 HA2 GLY 3 HA2 GLY 3 -4.089 5.671 -5.627
11 HA3 GLY 3 HA3 GLY 3 -5.065 4.759 -6.790
12 H CYS 4 H CYS 4 -5.798 4.097 -4.281
13 HA CYS 4 HA CYS 4 -4.734 1.426 -3.917
14 HB2 CYS 4 HB2 CYS 4 -4.304 3.758 -2.030
15 HB3 CYS 4 HB3 CYS 4 -4.536 2.178 -1.348
16 H ASP 5 H ASP 5 -5.889 0.181 -2.411
17 HA ASP 5 HA ASP 5 -8.368 1.105 -1.246
18 HB2 ASP 5 HB2 ASP 5 -8.097 -1.284 -3.134
19 HB3 ASP 5 HB3 ASP 5 -9.564 -0.751 -2.313
20 H ASP 6 H ASP 6 -9.109 -0.913 0.140
21 HA ASP 6 HA ASP 6 -6.753 -1.970 1.484
22 HB2 ASP 6 HB2 ASP 6 -8.805 -1.135 2.636
23 HB3 ASP 6 HB3 ASP 6 -9.675 -2.519 1.991
24 H LYS 7 H LYS 7 -8.487 -2.877 -1.151
25 HA LYS 7 HA LYS 7 -8.367 -5.798 -0.774
26 HB2 LYS 7 HB2 LYS 7 -9.322 -6.077 -2.978
27 HB3 LYS 7 HB3 LYS 7 -10.317 -5.073 -1.931
28 HG2 LYS 7 HG2 LYS 7 -9.593 -3.058 -3.105
29 HG3 LYS 7 HG3 LYS 7 -8.547 -4.005 -4.172
30 HD2 LYS 7 HD2 LYS 7 -11.581 -4.211 -3.949
31 HD3 LYS 7 HD3 LYS 7 -10.709 -3.360 -5.205
32 HE2 LYS 7 HE2 LYS 7 -10.682 -5.183 -6.458
33 HE3 LYS 7 HE3 LYS 7 -9.651 -5.997 -5.288
34 HZ1 LYS 7 HZ1 LYS 7 -11.758 -7.116 -5.918
35 HZ2 LYS 7 HZ2 LYS 7 -12.621 -5.971 -5.153
36 HZ3 LYS 7 HZ3 LYS 7 -11.584 -6.954 -4.291
37 H CYS 8 H CYS 8 -6.448 -3.283 -2.152
38 HA CYS 8 HA CYS 8 -4.789 -5.141 -3.630
39 HB2 CYS 8 HB2 CYS 8 -3.454 -3.385 -4.217
40 HB3 CYS 8 HB3 CYS 8 -5.134 -2.792 -4.233
41 H GLY 9 H GLY 9 -5.339 -4.882 -0.403
42 HA2 GLY 9 HA2 GLY 9 -4.319 -6.005 1.305
43 HA3 GLY 9 HA3 GLY 9 -2.855 -6.197 0.335
44 H CYS 10 H CYS 10 -4.172 -2.946 0.502
45 HA CYS 10 HA CYS 10 -1.811 -2.162 2.229
46 HB2 CYS 10 HB2 CYS 10 -3.626 -0.599 0.354
47 HB3 CYS 10 HB3 CYS 10 -2.695 0.151 1.622
48 H ALA 11 H ALA 11 -2.273 -1.354 4.341
49 HA ALA 11 HA ALA 11 -4.925 -1.279 5.304
50 HB1 ALA 11 HB1 ALA 11 -2.476 0.225 6.354
51 HB2 ALA 11 HB2 ALA 11 -3.934 -0.178 7.262
52 HB3 ALA 11 HB3 ALA 11 -2.843 -1.477 6.748
53 H VAL 12 H VAL 12 -6.157 0.547 5.715
54 HA VAL 12 HA VAL 12 -5.486 3.024 4.257
55 HB VAL 12 HB VAL 12 -7.910 3.187 3.621
56 HG11 VAL 12 HG11 VAL 12 -7.657 1.839 1.635
57 HG12 VAL 12 HG12 VAL 12 -6.082 2.536 2.049
58 HG13 VAL 12 HG13 VAL 12 -6.424 0.829 2.407
59 HG21 VAL 12 HG21 VAL 12 -8.820 1.460 5.180
60 HG22 VAL 12 HG22 VAL 12 -9.232 1.121 3.486
61 HG23 VAL 12 HG23 VAL 12 -7.951 0.209 4.289
62 HA PRO 13 HA PRO 13 -6.794 5.202 4.009
63 HB2 PRO 13 HB2 PRO 13 -5.918 7.600 4.985
64 HB3 PRO 13 HB3 PRO 13 -7.632 7.094 4.982
65 HG2 PRO 13 HG2 PRO 13 -5.680 6.933 7.286
66 HG3 PRO 13 HG3 PRO 13 -7.366 7.538 7.282
67 HD2 PRO 13 HD2 PRO 13 -6.739 5.000 8.082
68 HD3 PRO 13 HD3 PRO 13 -8.244 5.352 7.183
69 H CYS 14 H CYS 14 -5.018 5.172 2.730
70 HA CYS 14 HA CYS 14 -2.580 4.054 3.764
71 HB2 CYS 14 HB2 CYS 14 -3.690 4.898 1.144
72 HB3 CYS 14 HB3 CYS 14 -1.949 5.096 1.295
73 HA PRO 15 HA PRO 15 -0.281 7.686 4.860
74 HB2 PRO 15 HB2 PRO 15 2.317 7.018 4.255
75 HB3 PRO 15 HB3 PRO 15 1.413 6.307 5.611
76 HG2 PRO 15 HG2 PRO 15 1.821 5.176 2.835
77 HG3 PRO 15 HG3 PRO 15 2.034 4.352 4.411
78 HD2 PRO 15 HD2 PRO 15 -0.248 4.068 2.965
79 HD3 PRO 15 HD3 PRO 15 -0.318 4.186 4.748
80 H GLY 16 H GLY 16 -0.084 6.478 1.577
81 HA2 GLY 16 HA2 GLY 16 -0.427 7.776 -0.338
82 HA3 GLY 16 HA3 GLY 16 0.168 9.220 0.483
83 H GLY 17 H GLY 17 2.572 7.713 1.531
84 HA2 GLY 17 HA2 GLY 17 4.141 6.499 -0.462
85 HA3 GLY 17 HA3 GLY 17 4.463 8.254 -0.432
86 H THR 18 H THR 18 6.554 7.079 0.317
87 HA THR 18 HA THR 18 8.044 6.423 1.892
88 HB THR 18 HB THR 18 6.864 8.723 3.420
89 HG1 THR 18 HG1 THR 18 7.392 9.959 1.870
90 HG21 THR 18 HG21 THR 18 8.866 7.626 4.432
91 HG22 THR 18 HG22 THR 18 9.244 9.239 3.822
92 HG23 THR 18 HG23 THR 18 9.745 7.819 2.894
93 H GLY 19 H GLY 19 6.531 4.421 2.154
94 HA2 GLY 19 HA2 GLY 19 6.766 3.079 4.344
95 HA3 GLY 19 HA3 GLY 19 5.558 4.199 4.974
96 H CYS 20 H CYS 20 4.402 4.068 1.988
97 HA CYS 20 HA CYS 20 2.194 2.486 2.506
98 HB2 CYS 20 HB2 CYS 20 2.313 4.077 0.650
99 HB3 CYS 20 HB3 CYS 20 3.578 3.097 -0.110
100 H ARG 21 H ARG 21 1.608 0.163 2.153
101 HA ARG 21 HA ARG 21 3.792 -1.638 2.344
102 HB2 ARG 21 HB2 ARG 21 0.868 -2.037 1.637
103 HB3 ARG 21 HB3 ARG 21 1.984 -3.382 1.867
104 HG2 ARG 21 HG2 ARG 21 1.437 -1.322 4.032
105 HG3 ARG 21 HG3 ARG 21 0.423 -2.738 3.805
106 HD2 ARG 21 HD2 ARG 21 3.415 -2.933 4.271
107 HD3 ARG 21 HD3 ARG 21 2.252 -2.891 5.591
108 HE ARG 21 HE ARG 21 2.977 -5.126 3.974
109 HH11 ARG 21 HH11 ARG 21 0.246 -3.861 5.932
110 HH12 ARG 21 HH12 ARG 21 -0.486 -5.415 6.109
111 HH21 ARG 21 HH21 ARG 21 2.131 -7.226 4.542
112 HH22 ARG 21 HH22 ARG 21 0.723 -7.293 5.527
113 H CYS 22 H CYS 22 2.108 -0.397 -0.461
114 HA CYS 22 HA CYS 22 2.806 -2.324 -2.339
115 HB2 CYS 22 HB2 CYS 22 2.396 0.662 -2.771
116 HB3 CYS 22 HB3 CYS 22 2.833 -0.435 -4.050
117 H THR 23 H THR 23 5.012 0.254 -1.058
118 HA THR 23 HA THR 23 6.919 -0.233 -3.184
119 HB THR 23 HB THR 23 8.246 1.394 -1.680
120 HG1 THR 23 HG1 THR 23 7.173 1.283 0.245
121 HG21 THR 23 HG21 THR 23 5.540 2.257 -2.787
122 HG22 THR 23 HG22 THR 23 7.037 2.075 -3.723
123 HG23 THR 23 HG23 THR 23 6.936 3.309 -2.463
124 H SER 24 H SER 24 6.092 -2.223 -0.625
125 HA SER 24 HA SER 24 8.861 -3.265 -0.449
126 HB2 SER 24 HB2 SER 24 6.847 -2.718 1.764
127 HB3 SER 24 HB3 SER 24 8.206 -3.836 1.965
128 HG SER 24 HG SER 24 9.585 -2.118 1.254
129 H ALA 25 H ALA 25 8.802 -5.039 -1.591
130 HA ALA 25 HA ALA 25 6.980 -7.246 -0.950
131 HB1 ALA 25 HB1 ALA 25 6.486 -7.634 -3.351
132 HB2 ALA 25 HB2 ALA 25 5.855 -6.056 -2.838
133 HB3 ALA 25 HB3 ALA 25 7.356 -6.167 -3.778
134 H ARG 26 H ARG 26 9.826 -6.411 -0.522
135 HA ARG 26 HA ARG 26 11.538 -7.870 -2.311
136 HB2 ARG 26 HB2 ARG 26 11.847 -5.734 -0.759
137 HB3 ARG 26 HB3 ARG 26 12.305 -6.901 0.469
138 HG2 ARG 26 HG2 ARG 26 13.610 -6.760 -2.292
139 HG3 ARG 26 HG3 ARG 26 14.062 -5.669 -0.989
140 HD2 ARG 26 HD2 ARG 26 15.630 -7.434 -0.990
141 HD3 ARG 26 HD3 ARG 26 14.631 -7.613 0.462
142 HE ARG 26 HE ARG 26 13.473 -9.416 -0.575
143 HH11 ARG 26 HH11 ARG 26 16.326 -8.449 -2.553
144 HH12 ARG 26 HH12 ARG 26 16.270 -9.935 -3.435
145 HH21 ARG 26 HH21 ARG 26 13.208 -10.963 -2.058
146 HH22 ARG 26 HH22 ARG 26 14.311 -11.166 -3.419
Start of MODEL 28
1 H1 GLY 1 H GLY 1 0.488 7.912 -11.548
2 HA2 GLY 1 HA2 GLY 1 -1.575 7.694 -12.881
3 HA3 GLY 1 HA3 GLY 1 -0.851 6.113 -12.529
4 H SER 2 H SER 2 -1.865 4.698 -11.065
5 HA SER 2 HA SER 2 -4.696 5.088 -10.659
6 HB2 SER 2 HB2 SER 2 -4.308 2.807 -9.505
7 HB3 SER 2 HB3 SER 2 -3.969 2.916 -11.234
8 HG SER 2 HG SER 2 -2.361 1.914 -9.643
9 H GLY 3 H GLY 3 -5.581 4.504 -8.350
10 HA2 GLY 3 HA2 GLY 3 -4.235 6.250 -6.371
11 HA3 GLY 3 HA3 GLY 3 -5.925 5.739 -6.376
12 H CYS 4 H CYS 4 -5.950 4.563 -4.337
13 HA CYS 4 HA CYS 4 -4.693 1.951 -4.429
14 HB2 CYS 4 HB2 CYS 4 -3.229 4.100 -3.280
15 HB3 CYS 4 HB3 CYS 4 -3.872 3.216 -1.922
16 H ASP 5 H ASP 5 -5.822 0.448 -3.061
17 HA ASP 5 HA ASP 5 -7.913 1.576 -1.281
18 HB2 ASP 5 HB2 ASP 5 -7.757 -0.864 -3.106
19 HB3 ASP 5 HB3 ASP 5 -9.129 -0.448 -2.096
20 H ASP 6 H ASP 6 -8.751 -0.455 -0.022
21 HA ASP 6 HA ASP 6 -6.551 -1.732 1.476
22 HB2 ASP 6 HB2 ASP 6 -8.367 -2.306 3.078
23 HB3 ASP 6 HB3 ASP 6 -8.133 -0.583 2.839
24 H LYS 7 H LYS 7 -8.543 -2.275 -1.127
25 HA LYS 7 HA LYS 7 -9.010 -5.172 -0.666
26 HB2 LYS 7 HB2 LYS 7 -10.188 -5.285 -2.715
27 HB3 LYS 7 HB3 LYS 7 -10.759 -3.882 -1.824
28 HG2 LYS 7 HG2 LYS 7 -9.341 -2.441 -3.297
29 HG3 LYS 7 HG3 LYS 7 -8.871 -3.858 -4.236
30 HD2 LYS 7 HD2 LYS 7 -11.740 -2.930 -3.837
31 HD3 LYS 7 HD3 LYS 7 -10.744 -2.419 -5.178
32 HE2 LYS 7 HE2 LYS 7 -11.361 -5.355 -4.622
33 HE3 LYS 7 HE3 LYS 7 -12.402 -4.314 -5.588
34 HZ1 LYS 7 HZ1 LYS 7 -9.620 -5.027 -6.254
35 HZ2 LYS 7 HZ2 LYS 7 -10.551 -3.925 -7.089
36 HZ3 LYS 7 HZ3 LYS 7 -10.997 -5.497 -7.011
37 H CYS 8 H CYS 8 -6.891 -3.031 -2.442
38 HA CYS 8 HA CYS 8 -5.557 -5.057 -3.932
39 HB2 CYS 8 HB2 CYS 8 -3.940 -3.405 -4.479
40 HB3 CYS 8 HB3 CYS 8 -5.560 -2.693 -4.532
41 H GLY 9 H GLY 9 -5.730 -4.853 -0.624
42 HA2 GLY 9 HA2 GLY 9 -4.662 -6.040 0.944
43 HA3 GLY 9 HA3 GLY 9 -3.358 -6.416 -0.162
44 H CYS 10 H CYS 10 -4.367 -3.059 0.687
45 HA CYS 10 HA CYS 10 -1.666 -2.719 2.043
46 HB2 CYS 10 HB2 CYS 10 -3.491 -0.888 0.525
47 HB3 CYS 10 HB3 CYS 10 -2.443 -0.227 1.731
48 H ALA 11 H ALA 11 -1.740 -1.938 4.230
49 HA ALA 11 HA ALA 11 -4.291 -1.832 5.540
50 HB1 ALA 11 HB1 ALA 11 -2.927 -0.984 7.443
51 HB2 ALA 11 HB2 ALA 11 -2.206 -2.449 6.755
52 HB3 ALA 11 HB3 ALA 11 -1.508 -0.848 6.384
53 H VAL 12 H VAL 12 -5.371 0.068 6.067
54 HA VAL 12 HA VAL 12 -4.485 2.553 4.730
55 HB VAL 12 HB VAL 12 -6.847 3.047 4.184
56 HG11 VAL 12 HG11 VAL 12 -5.242 2.052 2.557
57 HG12 VAL 12 HG12 VAL 12 -5.906 0.449 2.933
58 HG13 VAL 12 HG13 VAL 12 -6.946 1.691 2.217
59 HG21 VAL 12 HG21 VAL 12 -8.540 1.300 4.153
60 HG22 VAL 12 HG22 VAL 12 -7.435 0.155 4.946
61 HG23 VAL 12 HG23 VAL 12 -8.013 1.603 5.796
62 HA PRO 13 HA PRO 13 -5.770 4.845 4.665
63 HB2 PRO 13 HB2 PRO 13 -4.642 7.144 5.699
64 HB3 PRO 13 HB3 PRO 13 -6.377 6.742 5.735
65 HG2 PRO 13 HG2 PRO 13 -4.345 6.405 7.939
66 HG3 PRO 13 HG3 PRO 13 -6.035 7.010 8.039
67 HD2 PRO 13 HD2 PRO 13 -5.306 4.445 8.695
68 HD3 PRO 13 HD3 PRO 13 -6.897 4.831 7.985
69 H CYS 14 H CYS 14 -4.149 4.701 3.179
70 HA CYS 14 HA CYS 14 -1.648 3.559 3.863
71 HB2 CYS 14 HB2 CYS 14 -2.745 4.840 1.325
72 HB3 CYS 14 HB3 CYS 14 -1.017 4.734 1.557
73 HA PRO 15 HA PRO 15 0.119 7.312 5.574
74 HB2 PRO 15 HB2 PRO 15 2.783 6.041 5.196
75 HB3 PRO 15 HB3 PRO 15 2.046 6.700 6.661
76 HG2 PRO 15 HG2 PRO 15 2.236 4.001 6.293
77 HG3 PRO 15 HG3 PRO 15 0.882 4.778 7.168
78 HD2 PRO 15 HD2 PRO 15 0.922 3.709 4.358
79 HD3 PRO 15 HD3 PRO 15 -0.381 3.684 5.587
80 H GLY 16 H GLY 16 1.685 5.728 2.707
81 HA2 GLY 16 HA2 GLY 16 1.023 7.456 0.821
82 HA3 GLY 16 HA3 GLY 16 2.365 8.368 1.556
83 H GLY 17 H GLY 17 4.244 6.397 1.879
84 HA2 GLY 17 HA2 GLY 17 4.393 4.552 -0.371
85 HA3 GLY 17 HA3 GLY 17 5.347 6.014 -0.644
86 H THR 18 H THR 18 6.112 6.451 2.091
87 HA THR 18 HA THR 18 8.434 5.236 2.406
88 HB THR 18 HB THR 18 6.998 6.001 4.898
89 HG1 THR 18 HG1 THR 18 7.209 8.294 3.965
90 HG21 THR 18 HG21 THR 18 9.477 5.882 4.570
91 HG22 THR 18 HG22 THR 18 8.914 7.474 5.136
92 HG23 THR 18 HG23 THR 18 9.340 7.231 3.422
93 H GLY 19 H GLY 19 5.475 3.631 3.048
94 HA2 GLY 19 HA2 GLY 19 6.797 1.211 3.986
95 HA3 GLY 19 HA3 GLY 19 5.721 1.956 5.159
96 H CYS 20 H CYS 20 5.074 2.309 1.718
97 HA CYS 20 HA CYS 20 2.416 1.105 2.031
98 HB2 CYS 20 HB2 CYS 20 2.727 3.052 0.535
99 HB3 CYS 20 HB3 CYS 20 3.916 2.137 -0.398
100 H ARG 21 H ARG 21 1.946 -1.180 1.722
101 HA ARG 21 HA ARG 21 4.054 -2.992 1.490
102 HB2 ARG 21 HB2 ARG 21 1.099 -3.426 0.843
103 HB3 ARG 21 HB3 ARG 21 2.321 -4.692 1.019
104 HG2 ARG 21 HG2 ARG 21 2.608 -3.303 3.396
105 HG3 ARG 21 HG3 ARG 21 0.872 -3.146 3.093
106 HD2 ARG 21 HD2 ARG 21 2.379 -5.802 3.066
107 HD3 ARG 21 HD3 ARG 21 1.609 -5.110 4.502
108 HE ARG 21 HE ARG 21 -0.232 -5.335 2.255
109 HH11 ARG 21 HH11 ARG 21 1.326 -7.425 4.709
110 HH12 ARG 21 HH12 ARG 21 -0.138 -8.260 5.071
111 HH21 ARG 21 HH21 ARG 21 -2.045 -6.558 2.605
112 HH22 ARG 21 HH22 ARG 21 -2.078 -7.829 3.797
113 H CYS 22 H CYS 22 1.895 -1.753 -0.983
114 HA CYS 22 HA CYS 22 2.682 -3.330 -3.049
115 HB2 CYS 22 HB2 CYS 22 1.815 -0.445 -3.079
116 HB3 CYS 22 HB3 CYS 22 2.006 -1.347 -4.560
117 H THR 23 H THR 23 4.856 -1.064 -1.595
118 HA THR 23 HA THR 23 6.488 -1.069 -4.055
119 HB THR 23 HB THR 23 5.166 1.097 -3.485
120 HG1 THR 23 HG1 THR 23 6.706 1.096 -5.052
121 HG21 THR 23 HG21 THR 23 5.859 1.207 -1.068
122 HG22 THR 23 HG22 THR 23 6.157 2.677 -2.010
123 HG23 THR 23 HG23 THR 23 7.497 1.587 -1.606
124 H SER 24 H SER 24 6.242 -2.394 -1.123
125 HA SER 24 HA SER 24 9.031 -1.998 -0.215
126 HB2 SER 24 HB2 SER 24 7.072 -1.749 1.322
127 HB3 SER 24 HB3 SER 24 6.626 -3.430 1.015
128 HG SER 24 HG SER 24 8.535 -4.082 2.003
129 H ALA 25 H ALA 25 9.615 -3.178 -2.383
130 HA ALA 25 HA ALA 25 9.045 -6.047 -2.464
131 HB1 ALA 25 HB1 ALA 25 10.784 -4.261 -4.223
132 HB2 ALA 25 HB2 ALA 25 10.383 -5.957 -4.533
133 HB3 ALA 25 HB3 ALA 25 9.099 -4.736 -4.537
134 H ARG 26 H ARG 26 10.127 -5.968 -0.054
135 HA ARG 26 HA ARG 26 12.704 -7.192 -0.337
136 HB2 ARG 26 HB2 ARG 26 13.875 -5.941 1.314
137 HB3 ARG 26 HB3 ARG 26 13.521 -4.907 -0.043
138 HG2 ARG 26 HG2 ARG 26 11.920 -4.898 2.571
139 HG3 ARG 26 HG3 ARG 26 13.348 -3.916 2.305
140 HD2 ARG 26 HD2 ARG 26 10.765 -3.718 0.734
141 HD3 ARG 26 HD3 ARG 26 11.330 -2.606 1.977
142 HE ARG 26 HE ARG 26 12.846 -3.098 -0.555
143 HH11 ARG 26 HH11 ARG 26 11.547 -0.622 1.731
144 HH12 ARG 26 HH12 ARG 26 12.007 0.657 0.646
145 HH21 ARG 26 HH21 ARG 26 13.715 -1.286 -1.666
146 HH22 ARG 26 HH22 ARG 26 13.262 0.305 -1.113
Start of MODEL 29
1 H1 GLY 1 H GLY 1 -2.643 3.923 -12.814
2 HA2 GLY 1 HA2 GLY 1 -4.494 2.666 -11.866
3 HA3 GLY 1 HA3 GLY 1 -3.480 2.343 -10.447
4 H SER 2 H SER 2 -5.813 3.384 -9.720
5 HA SER 2 HA SER 2 -6.081 6.225 -9.865
6 HB2 SER 2 HB2 SER 2 -7.706 5.800 -8.012
7 HB3 SER 2 HB3 SER 2 -7.969 4.747 -9.405
8 HG SER 2 HG SER 2 -7.709 4.084 -6.927
9 H GLY 3 H GLY 3 -4.325 4.060 -7.711
10 HA2 GLY 3 HA2 GLY 3 -2.353 5.430 -6.671
11 HA3 GLY 3 HA3 GLY 3 -3.686 6.190 -5.759
12 H CYS 4 H CYS 4 -5.098 4.790 -4.409
13 HA CYS 4 HA CYS 4 -4.412 2.025 -4.112
14 HB2 CYS 4 HB2 CYS 4 -3.523 4.187 -2.202
15 HB3 CYS 4 HB3 CYS 4 -4.059 2.666 -1.533
16 H ASP 5 H ASP 5 -5.681 0.848 -2.728
17 HA ASP 5 HA ASP 5 -8.018 1.986 -1.417
18 HB2 ASP 5 HB2 ASP 5 -8.124 -0.384 -3.320
19 HB3 ASP 5 HB3 ASP 5 -9.476 0.433 -2.547
20 H ASP 6 H ASP 6 -8.929 -0.015 -0.097
21 HA ASP 6 HA ASP 6 -6.684 -1.326 1.202
22 HB2 ASP 6 HB2 ASP 6 -8.784 -0.437 2.318
23 HB3 ASP 6 HB3 ASP 6 -9.628 -1.845 1.671
24 H LYS 7 H LYS 7 -8.468 -2.077 -1.440
25 HA LYS 7 HA LYS 7 -8.543 -4.992 -1.185
26 HB2 LYS 7 HB2 LYS 7 -9.723 -5.125 -3.138
27 HB3 LYS 7 HB3 LYS 7 -10.278 -3.614 -2.435
28 HG2 LYS 7 HG2 LYS 7 -8.676 -2.395 -3.965
29 HG3 LYS 7 HG3 LYS 7 -8.262 -3.938 -4.706
30 HD2 LYS 7 HD2 LYS 7 -10.857 -2.425 -4.846
31 HD3 LYS 7 HD3 LYS 7 -9.797 -2.890 -6.170
32 HE2 LYS 7 HE2 LYS 7 -11.553 -4.732 -4.497
33 HE3 LYS 7 HE3 LYS 7 -11.892 -4.190 -6.126
34 HZ1 LYS 7 HZ1 LYS 7 -9.604 -5.957 -5.415
35 HZ2 LYS 7 HZ2 LYS 7 -10.019 -5.473 -6.929
36 HZ3 LYS 7 HZ3 LYS 7 -11.031 -6.409 -6.069
37 H CYS 8 H CYS 8 -6.410 -2.596 -2.554
38 HA CYS 8 HA CYS 8 -4.904 -4.458 -4.200
39 HB2 CYS 8 HB2 CYS 8 -3.490 -2.693 -4.604
40 HB3 CYS 8 HB3 CYS 8 -5.048 -1.897 -4.412
41 H GLY 9 H GLY 9 -5.284 -4.397 -0.912
42 HA2 GLY 9 HA2 GLY 9 -4.175 -5.427 0.766
43 HA3 GLY 9 HA3 GLY 9 -2.826 -5.794 -0.317
44 H CYS 10 H CYS 10 -4.461 -2.686 0.792
45 HA CYS 10 HA CYS 10 -1.815 -1.900 1.965
46 HB2 CYS 10 HB2 CYS 10 -3.431 -0.304 -0.047
47 HB3 CYS 10 HB3 CYS 10 -2.731 0.452 1.361
48 H ALA 11 H ALA 11 -2.139 -1.181 3.984
49 HA ALA 11 HA ALA 11 -4.728 -1.038 5.094
50 HB1 ALA 11 HB1 ALA 11 -2.093 0.145 6.099
51 HB2 ALA 11 HB2 ALA 11 -3.576 -0.029 7.060
52 HB3 ALA 11 HB3 ALA 11 -2.740 -1.473 6.481
53 H VAL 12 H VAL 12 -6.087 0.662 5.230
54 HA VAL 12 HA VAL 12 -5.305 3.222 3.949
55 HB VAL 12 HB VAL 12 -7.630 3.547 3.287
56 HG11 VAL 12 HG11 VAL 12 -6.580 0.912 2.227
57 HG12 VAL 12 HG12 VAL 12 -7.611 2.089 1.397
58 HG13 VAL 12 HG13 VAL 12 -5.928 2.499 1.773
59 HG21 VAL 12 HG21 VAL 12 -8.841 2.186 4.909
60 HG22 VAL 12 HG22 VAL 12 -9.218 1.659 3.272
61 HG23 VAL 12 HG23 VAL 12 -8.107 0.703 4.278
62 HA PRO 13 HA PRO 13 -6.622 5.467 3.906
63 HB2 PRO 13 HB2 PRO 13 -5.647 7.776 5.089
64 HB3 PRO 13 HB3 PRO 13 -7.368 7.344 4.966
65 HG2 PRO 13 HG2 PRO 13 -5.547 7.081 7.337
66 HG3 PRO 13 HG3 PRO 13 -7.297 7.470 7.273
67 HD2 PRO 13 HD2 PRO 13 -6.303 4.986 7.937
68 HD3 PRO 13 HD3 PRO 13 -7.902 5.262 7.212
69 H CYS 14 H CYS 14 -4.870 5.489 2.545
70 HA CYS 14 HA CYS 14 -2.498 4.218 3.424
71 HB2 CYS 14 HB2 CYS 14 -3.348 5.523 0.850
72 HB3 CYS 14 HB3 CYS 14 -1.625 5.305 1.138
73 HA PRO 15 HA PRO 15 -0.338 7.668 5.157
74 HB2 PRO 15 HB2 PRO 15 2.148 6.686 5.399
75 HB3 PRO 15 HB3 PRO 15 0.808 5.996 6.346
76 HG2 PRO 15 HG2 PRO 15 1.907 4.969 3.713
77 HG3 PRO 15 HG3 PRO 15 1.652 4.044 5.225
78 HD2 PRO 15 HD2 PRO 15 -0.213 4.036 3.278
79 HD3 PRO 15 HD3 PRO 15 -0.711 4.134 4.995
80 H GLY 16 H GLY 16 0.270 6.471 2.017
81 HA2 GLY 16 HA2 GLY 16 0.697 7.931 0.171
82 HA3 GLY 16 HA3 GLY 16 1.742 8.912 1.210
83 H GLY 17 H GLY 17 3.845 8.335 1.517
84 HA2 GLY 17 HA2 GLY 17 4.924 6.059 -0.047
85 HA3 GLY 17 HA3 GLY 17 5.812 7.468 0.550
86 H THR 18 H THR 18 6.227 7.633 2.886
87 HA THR 18 HA THR 18 7.378 5.492 4.057
88 HB THR 18 HB THR 18 6.039 7.663 5.695
89 HG1 THR 18 HG1 THR 18 7.890 8.950 5.033
90 HG21 THR 18 HG21 THR 18 8.821 6.382 5.728
91 HG22 THR 18 HG22 THR 18 7.487 6.070 6.863
92 HG23 THR 18 HG23 THR 18 8.261 7.647 6.840
93 H GLY 19 H GLY 19 6.607 3.573 4.957
94 HA2 GLY 19 HA2 GLY 19 5.296 2.286 6.333
95 HA3 GLY 19 HA3 GLY 19 4.112 3.570 6.468
96 H CYS 20 H CYS 20 4.260 3.514 3.223
97 HA CYS 20 HA CYS 20 1.926 1.880 2.904
98 HB2 CYS 20 HB2 CYS 20 2.633 3.987 1.639
99 HB3 CYS 20 HB3 CYS 20 3.734 2.971 0.743
100 H ARG 21 H ARG 21 2.051 0.141 0.879
101 HA ARG 21 HA ARG 21 4.341 -1.718 1.470
102 HB2 ARG 21 HB2 ARG 21 1.528 -2.666 0.910
103 HB3 ARG 21 HB3 ARG 21 2.873 -3.582 1.593
104 HG2 ARG 21 HG2 ARG 21 1.414 -1.305 2.963
105 HG3 ARG 21 HG3 ARG 21 1.028 -2.991 3.199
106 HD2 ARG 21 HD2 ARG 21 3.816 -1.934 3.782
107 HD3 ARG 21 HD3 ARG 21 2.520 -1.831 4.963
108 HE ARG 21 HE ARG 21 3.689 -4.363 3.839
109 HH11 ARG 21 HH11 ARG 21 1.532 -2.926 6.314
110 HH12 ARG 21 HH12 ARG 21 1.800 -4.200 7.431
111 HH21 ARG 21 HH21 ARG 21 3.876 -6.123 5.256
112 HH22 ARG 21 HH22 ARG 21 3.081 -6.067 6.781
113 H CYS 22 H CYS 22 3.344 0.008 -1.019
114 HA CYS 22 HA CYS 22 3.477 -2.186 -3.087
115 HB2 CYS 22 HB2 CYS 22 2.705 0.707 -3.313
116 HB3 CYS 22 HB3 CYS 22 2.722 -0.431 -4.655
117 H THR 23 H THR 23 5.654 -0.088 -1.688
118 HA THR 23 HA THR 23 7.491 -0.265 -3.987
119 HB THR 23 HB THR 23 6.552 1.948 -4.084
120 HG1 THR 23 HG1 THR 23 8.587 1.988 -4.610
121 HG21 THR 23 HG21 THR 23 6.732 3.641 -2.380
122 HG22 THR 23 HG22 THR 23 7.419 2.481 -1.229
123 HG23 THR 23 HG23 THR 23 5.737 2.313 -1.791
124 H SER 24 H SER 24 7.367 -2.240 -2.482
125 HA SER 24 HA SER 24 9.624 -2.408 -0.854
126 HB2 SER 24 HB2 SER 24 8.153 -1.201 0.764
127 HB3 SER 24 HB3 SER 24 6.989 -2.523 0.676
128 HG SER 24 HG SER 24 9.664 -3.162 1.272
129 H ALA 25 H ALA 25 10.007 -4.190 -2.196
130 HA ALA 25 HA ALA 25 8.411 -6.585 -1.792
131 HB1 ALA 25 HB1 ALA 25 8.266 -7.017 -4.255
132 HB2 ALA 25 HB2 ALA 25 7.261 -5.636 -3.747
133 HB3 ALA 25 HB3 ALA 25 8.818 -5.357 -4.554
134 H ARG 26 H ARG 26 9.795 -8.205 -1.591
135 HA ARG 26 HA ARG 26 12.627 -7.816 -1.642
136 HB2 ARG 26 HB2 ARG 26 11.381 -9.392 -0.142
137 HB3 ARG 26 HB3 ARG 26 10.917 -10.353 -1.548
138 HG2 ARG 26 HG2 ARG 26 12.735 -11.396 -0.332
139 HG3 ARG 26 HG3 ARG 26 13.270 -10.951 -1.952
140 HD2 ARG 26 HD2 ARG 26 14.430 -8.965 -1.031
141 HD3 ARG 26 HD3 ARG 26 13.793 -9.349 0.584
142 HE ARG 26 HE ARG 26 15.285 -11.504 -0.676
143 HH11 ARG 26 HH11 ARG 26 15.609 -8.550 1.294
144 HH12 ARG 26 HH12 ARG 26 17.079 -9.041 2.048
145 HH21 ARG 26 HH21 ARG 26 17.301 -12.156 0.351
146 HH22 ARG 26 HH22 ARG 26 18.061 -11.073 1.465
Start of MODEL 30
1 H1 GLY 1 H GLY 1 -5.749 8.401 -10.049
2 HA2 GLY 1 HA2 GLY 1 -8.114 6.851 -10.987
3 HA3 GLY 1 HA3 GLY 1 -6.650 7.183 -11.950
4 H SER 2 H SER 2 -4.903 5.827 -11.758
5 HA SER 2 HA SER 2 -5.122 3.376 -10.304
6 HB2 SER 2 HB2 SER 2 -3.841 3.771 -12.427
7 HB3 SER 2 HB3 SER 2 -2.648 4.718 -11.513
8 HG SER 2 HG SER 2 -2.097 2.530 -11.922
9 H GLY 3 H GLY 3 -5.279 3.551 -8.115
10 HA2 GLY 3 HA2 GLY 3 -3.098 4.742 -6.593
11 HA3 GLY 3 HA3 GLY 3 -4.711 5.461 -6.348
12 H CYS 4 H CYS 4 -3.266 4.109 -4.395
13 HA CYS 4 HA CYS 4 -3.884 1.392 -4.058
14 HB2 CYS 4 HB2 CYS 4 -3.285 3.657 -2.171
15 HB3 CYS 4 HB3 CYS 4 -3.479 2.062 -1.537
16 H ASP 5 H ASP 5 -5.061 0.304 -2.449
17 HA ASP 5 HA ASP 5 -7.447 1.273 -1.298
18 HB2 ASP 5 HB2 ASP 5 -8.862 -0.384 -2.502
19 HB3 ASP 5 HB3 ASP 5 -8.298 0.922 -3.534
20 H ASP 6 H ASP 6 -8.445 -0.896 -0.472
21 HA ASP 6 HA ASP 6 -6.647 -2.288 1.276
22 HB2 ASP 6 HB2 ASP 6 -8.817 -3.204 2.097
23 HB3 ASP 6 HB3 ASP 6 -8.876 -1.453 1.949
24 H LYS 7 H LYS 7 -7.240 -2.883 -1.942
25 HA LYS 7 HA LYS 7 -7.418 -5.864 -1.662
26 HB2 LYS 7 HB2 LYS 7 -8.050 -4.048 -4.033
27 HB3 LYS 7 HB3 LYS 7 -8.170 -5.808 -4.018
28 HG2 LYS 7 HG2 LYS 7 -9.847 -5.699 -2.210
29 HG3 LYS 7 HG3 LYS 7 -9.705 -3.934 -2.175
30 HD2 LYS 7 HD2 LYS 7 -10.685 -3.699 -4.358
31 HD3 LYS 7 HD3 LYS 7 -10.658 -5.447 -4.606
32 HE2 LYS 7 HE2 LYS 7 -12.917 -4.742 -3.938
33 HE3 LYS 7 HE3 LYS 7 -12.186 -5.809 -2.736
34 HZ1 LYS 7 HZ1 LYS 7 -11.628 -3.751 -1.436
35 HZ2 LYS 7 HZ2 LYS 7 -13.206 -4.091 -1.602
36 HZ3 LYS 7 HZ3 LYS 7 -12.609 -2.885 -2.479
37 H CYS 8 H CYS 8 -5.542 -3.175 -2.877
38 HA CYS 8 HA CYS 8 -3.698 -4.683 -4.473
39 HB2 CYS 8 HB2 CYS 8 -2.672 -2.671 -4.812
40 HB3 CYS 8 HB3 CYS 8 -4.258 -2.103 -4.331
41 H GLY 9 H GLY 9 -4.002 -4.650 -1.039
42 HA2 GLY 9 HA2 GLY 9 -2.657 -5.818 0.410
43 HA3 GLY 9 HA3 GLY 9 -1.296 -5.732 -0.723
44 H CYS 10 H CYS 10 -3.412 -3.038 0.605
45 HA CYS 10 HA CYS 10 -1.135 -1.956 2.120
46 HB2 CYS 10 HB2 CYS 10 -2.688 -0.533 -0.110
47 HB3 CYS 10 HB3 CYS 10 -2.104 0.288 1.297
48 H ALA 11 H ALA 11 -2.028 -1.123 4.094
49 HA ALA 11 HA ALA 11 -4.852 -1.356 4.481
50 HB1 ALA 11 HB1 ALA 11 -3.147 -1.604 6.325
51 HB2 ALA 11 HB2 ALA 11 -2.744 0.131 6.133
52 HB3 ALA 11 HB3 ALA 11 -4.352 -0.355 6.672
53 H VAL 12 H VAL 12 -6.172 0.518 4.932
54 HA VAL 12 HA VAL 12 -5.328 3.002 3.612
55 HB VAL 12 HB VAL 12 -7.581 3.268 2.671
56 HG11 VAL 12 HG11 VAL 12 -7.146 1.954 0.710
57 HG12 VAL 12 HG12 VAL 12 -5.612 2.579 1.328
58 HG13 VAL 12 HG13 VAL 12 -6.048 0.873 1.598
59 HG21 VAL 12 HG21 VAL 12 -7.906 0.309 3.277
60 HG22 VAL 12 HG22 VAL 12 -8.868 1.659 3.962
61 HG23 VAL 12 HG23 VAL 12 -8.962 1.285 2.232
62 HA PRO 13 HA PRO 13 -6.534 5.242 3.388
63 HB2 PRO 13 HB2 PRO 13 -5.609 7.483 4.622
64 HB3 PRO 13 HB3 PRO 13 -7.351 7.124 4.432
65 HG2 PRO 13 HG2 PRO 13 -5.594 6.604 6.835
66 HG3 PRO 13 HG3 PRO 13 -7.207 7.378 6.800
67 HD2 PRO 13 HD2 PRO 13 -6.909 4.743 7.418
68 HD3 PRO 13 HD3 PRO 13 -8.284 5.296 6.416
69 H CYS 14 H CYS 14 -4.625 5.350 2.323
70 HA CYS 14 HA CYS 14 -2.391 3.897 3.381
71 HB2 CYS 14 HB2 CYS 14 -3.198 5.055 0.776
72 HB3 CYS 14 HB3 CYS 14 -1.488 5.317 1.139
73 HA PRO 15 HA PRO 15 -0.283 7.243 5.293
74 HB2 PRO 15 HB2 PRO 15 2.333 6.493 5.258
75 HB3 PRO 15 HB3 PRO 15 1.091 5.633 6.232
76 HG2 PRO 15 HG2 PRO 15 2.171 4.886 3.492
77 HG3 PRO 15 HG3 PRO 15 1.966 3.829 4.931
78 HD2 PRO 15 HD2 PRO 15 0.110 3.950 2.926
79 HD3 PRO 15 HD3 PRO 15 -0.373 3.723 4.646
80 H GLY 16 H GLY 16 0.558 6.368 1.960
81 HA2 GLY 16 HA2 GLY 16 1.035 7.797 0.212
82 HA3 GLY 16 HA3 GLY 16 1.010 9.154 1.331
83 H GLY 17 H GLY 17 3.172 6.934 2.718
84 HA2 GLY 17 HA2 GLY 17 5.486 7.926 1.147
85 HA3 GLY 17 HA3 GLY 17 5.350 8.142 2.911
86 H THR 18 H THR 18 7.398 7.129 3.035
87 HA THR 18 HA THR 18 8.248 4.727 2.137
88 HB THR 18 HB THR 18 8.947 5.758 4.888
89 HG1 THR 18 HG1 THR 18 9.059 7.607 3.937
90 HG21 THR 18 HG21 THR 18 11.244 5.222 4.146
91 HG22 THR 18 HG22 THR 18 10.633 4.716 2.560
92 HG23 THR 18 HG23 THR 18 10.207 3.805 4.029
93 H GLY 19 H GLY 19 5.847 5.119 4.706
94 HA2 GLY 19 HA2 GLY 19 6.250 2.434 5.812
95 HA3 GLY 19 HA3 GLY 19 4.965 3.575 6.199
96 H CYS 20 H CYS 20 4.757 3.668 2.986
97 HA CYS 20 HA CYS 20 2.406 2.152 2.694
98 HB2 CYS 20 HB2 CYS 20 3.159 4.115 1.318
99 HB3 CYS 20 HB3 CYS 20 4.377 3.106 0.627
100 H ARG 21 H ARG 21 2.230 -0.204 2.487
101 HA ARG 21 HA ARG 21 4.552 -1.754 2.658
102 HB2 ARG 21 HB2 ARG 21 1.950 -2.788 1.500
103 HB3 ARG 21 HB3 ARG 21 3.183 -3.686 2.366
104 HG2 ARG 21 HG2 ARG 21 1.267 -1.633 3.532
105 HG3 ARG 21 HG3 ARG 21 1.158 -3.363 3.722
106 HD2 ARG 21 HD2 ARG 21 3.687 -2.070 4.708
107 HD3 ARG 21 HD3 ARG 21 2.212 -1.703 5.574
108 HE ARG 21 HE ARG 21 3.657 -4.236 5.490
109 HH11 ARG 21 HH11 ARG 21 0.565 -2.698 6.392
110 HH12 ARG 21 HH12 ARG 21 0.267 -3.792 7.706
111 HH21 ARG 21 HH21 ARG 21 3.249 -5.631 7.304
112 HH22 ARG 21 HH22 ARG 21 1.816 -5.451 8.242
113 H CYS 22 H CYS 22 2.963 -0.497 -0.182
114 HA CYS 22 HA CYS 22 4.110 -2.226 -2.019
115 HB2 CYS 22 HB2 CYS 22 3.463 0.724 -2.455
116 HB3 CYS 22 HB3 CYS 22 4.035 -0.355 -3.701
117 H THR 23 H THR 23 5.585 0.702 -0.529
118 HA THR 23 HA THR 23 7.817 0.540 -2.378
119 HB THR 23 HB THR 23 6.767 2.638 -1.723
120 HG1 THR 23 HG1 THR 23 9.409 2.185 -1.862
121 HG21 THR 23 HG21 THR 23 6.376 2.434 0.645
122 HG22 THR 23 HG22 THR 23 7.396 3.818 0.307
123 HG23 THR 23 HG23 THR 23 8.103 2.327 0.966
124 H SER 24 H SER 24 7.046 -1.637 -0.240
125 HA SER 24 HA SER 24 9.803 -2.202 0.598
126 HB2 SER 24 HB2 SER 24 7.273 -2.527 2.266
127 HB3 SER 24 HB3 SER 24 8.880 -3.117 2.687
128 HG SER 24 HG SER 24 8.824 -1.296 3.704
129 H ALA 25 H ALA 25 9.377 -3.305 -1.651
130 HA ALA 25 HA ALA 25 8.514 -6.061 -1.157
131 HB1 ALA 25 HB1 ALA 25 7.243 -4.360 -3.352
132 HB2 ALA 25 HB2 ALA 25 6.995 -6.103 -3.108
133 HB3 ALA 25 HB3 ALA 25 6.410 -4.948 -1.895
134 H ARG 26 H ARG 26 9.023 -7.451 -3.129
135 HA ARG 26 HA ARG 26 11.227 -6.466 -4.813
136 HB2 ARG 26 HB2 ARG 26 11.142 -9.223 -3.510
137 HB3 ARG 26 HB3 ARG 26 12.360 -8.552 -4.559
138 HG2 ARG 26 HG2 ARG 26 13.268 -8.724 -2.389
139 HG3 ARG 26 HG3 ARG 26 13.125 -7.023 -2.788
140 HD2 ARG 26 HD2 ARG 26 12.568 -7.723 -0.400
141 HD3 ARG 26 HD3 ARG 26 11.383 -6.701 -1.207
142 HE ARG 26 HE ARG 26 10.786 -9.507 -1.532
143 HH11 ARG 26 HH11 ARG 26 10.388 -6.781 0.826
144 HH12 ARG 26 HH12 ARG 26 8.940 -7.486 1.461
145 HH21 ARG 26 HH21 ARG 26 8.957 -10.321 -0.591
146 HH22 ARG 26 HH22 ARG 26 8.035 -9.417 0.598
Start of MODEL 31
1 H1 GLY 1 H GLY 1 -9.892 3.640 -12.114
2 HA2 GLY 1 HA2 GLY 1 -9.006 2.928 -9.882
3 HA3 GLY 1 HA3 GLY 1 -7.557 2.405 -10.775
4 H SER 2 H SER 2 -8.254 4.633 -8.739
5 HA SER 2 HA SER 2 -7.083 6.934 -10.252
6 HB2 SER 2 HB2 SER 2 -9.102 6.833 -7.984
7 HB3 SER 2 HB3 SER 2 -8.289 8.295 -8.557
8 HG SER 2 HG SER 2 -9.579 8.419 -10.110
9 H GLY 3 H GLY 3 -6.458 4.613 -7.793
10 HA2 GLY 3 HA2 GLY 3 -3.958 5.561 -7.122
11 HA3 GLY 3 HA3 GLY 3 -5.064 6.327 -5.955
12 H CYS 4 H CYS 4 -4.354 5.193 -4.215
13 HA CYS 4 HA CYS 4 -4.393 2.267 -4.210
14 HB2 CYS 4 HB2 CYS 4 -3.003 4.420 -2.854
15 HB3 CYS 4 HB3 CYS 4 -3.707 3.468 -1.651
16 H ASP 5 H ASP 5 -5.779 0.968 -3.053
17 HA ASP 5 HA ASP 5 -7.954 2.217 -1.497
18 HB2 ASP 5 HB2 ASP 5 -8.675 -0.105 -3.199
19 HB3 ASP 5 HB3 ASP 5 -9.592 1.350 -2.829
20 H ASP 6 H ASP 6 -9.303 0.171 -0.696
21 HA ASP 6 HA ASP 6 -7.651 -1.473 1.054
22 HB2 ASP 6 HB2 ASP 6 -10.650 -0.991 0.814
23 HB3 ASP 6 HB3 ASP 6 -9.918 -2.079 1.996
24 H LYS 7 H LYS 7 -8.575 -1.898 -2.003
25 HA LYS 7 HA LYS 7 -9.284 -4.812 -1.724
26 HB2 LYS 7 HB2 LYS 7 -10.265 -4.830 -3.863
27 HB3 LYS 7 HB3 LYS 7 -11.022 -3.562 -2.902
28 HG2 LYS 7 HG2 LYS 7 -9.883 -1.838 -4.141
29 HG3 LYS 7 HG3 LYS 7 -8.873 -3.009 -4.999
30 HD2 LYS 7 HD2 LYS 7 -11.912 -2.919 -5.222
31 HD3 LYS 7 HD3 LYS 7 -10.804 -2.067 -6.284
32 HE2 LYS 7 HE2 LYS 7 -9.676 -4.357 -6.702
33 HE3 LYS 7 HE3 LYS 7 -11.164 -5.061 -6.060
34 HZ1 LYS 7 HZ1 LYS 7 -12.352 -3.929 -7.871
35 HZ2 LYS 7 HZ2 LYS 7 -11.155 -4.850 -8.472
36 HZ3 LYS 7 HZ3 LYS 7 -10.965 -3.227 -8.403
37 H CYS 8 H CYS 8 -6.936 -2.527 -2.837
38 HA CYS 8 HA CYS 8 -5.587 -4.383 -4.581
39 HB2 CYS 8 HB2 CYS 8 -3.892 -2.840 -4.766
40 HB3 CYS 8 HB3 CYS 8 -5.405 -1.984 -4.931
41 H GLY 9 H GLY 9 -5.907 -4.371 -1.186
42 HA2 GLY 9 HA2 GLY 9 -4.876 -5.865 0.262
43 HA3 GLY 9 HA3 GLY 9 -3.570 -6.128 -0.897
44 H CYS 10 H CYS 10 -4.932 -3.054 0.601
45 HA CYS 10 HA CYS 10 -2.174 -2.649 1.791
46 HB2 CYS 10 HB2 CYS 10 -3.651 -1.012 -0.165
47 HB3 CYS 10 HB3 CYS 10 -3.091 -0.115 1.209
48 H ALA 11 H ALA 11 -2.174 -1.646 3.773
49 HA ALA 11 HA ALA 11 -4.601 -1.333 5.244
50 HB1 ALA 11 HB1 ALA 11 -2.409 -1.957 6.299
51 HB2 ALA 11 HB2 ALA 11 -1.707 -0.403 5.764
52 HB3 ALA 11 HB3 ALA 11 -3.002 -0.421 6.957
53 H VAL 12 H VAL 12 -5.534 0.689 5.734
54 HA VAL 12 HA VAL 12 -4.502 3.080 4.371
55 HB VAL 12 HB VAL 12 -6.709 3.697 3.680
56 HG11 VAL 12 HG11 VAL 12 -7.057 2.156 1.883
57 HG12 VAL 12 HG12 VAL 12 -5.310 2.148 2.209
58 HG13 VAL 12 HG13 VAL 12 -6.336 0.815 2.768
59 HG21 VAL 12 HG21 VAL 12 -8.018 2.600 5.508
60 HG22 VAL 12 HG22 VAL 12 -8.652 2.284 3.907
61 HG23 VAL 12 HG23 VAL 12 -7.680 1.035 4.731
62 HA PRO 13 HA PRO 13 -5.623 5.542 4.472
63 HB2 PRO 13 HB2 PRO 13 -4.257 7.621 5.663
64 HB3 PRO 13 HB3 PRO 13 -6.034 7.406 5.780
65 HG2 PRO 13 HG2 PRO 13 -3.904 6.608 7.774
66 HG3 PRO 13 HG3 PRO 13 -5.457 7.449 8.083
67 HD2 PRO 13 HD2 PRO 13 -5.172 4.767 8.454
68 HD3 PRO 13 HD3 PRO 13 -6.692 5.458 7.820
69 H CYS 14 H CYS 14 -3.801 5.675 3.029
70 HA CYS 14 HA CYS 14 -1.560 3.985 3.882
71 HB2 CYS 14 HB2 CYS 14 -2.172 5.375 1.249
72 HB3 CYS 14 HB3 CYS 14 -0.759 4.420 1.571
73 HA PRO 15 HA PRO 15 0.992 7.547 4.767
74 HB2 PRO 15 HB2 PRO 15 3.455 6.443 4.971
75 HB3 PRO 15 HB3 PRO 15 2.158 6.139 6.164
76 HG2 PRO 15 HG2 PRO 15 2.964 4.375 3.823
77 HG3 PRO 15 HG3 PRO 15 2.706 3.897 5.528
78 HD2 PRO 15 HD2 PRO 15 0.783 3.635 3.594
79 HD3 PRO 15 HD3 PRO 15 0.356 3.989 5.288
80 H GLY 16 H GLY 16 1.425 5.466 1.992
81 HA2 GLY 16 HA2 GLY 16 1.886 5.940 -0.212
82 HA3 GLY 16 HA3 GLY 16 1.923 7.647 0.209
83 H GLY 17 H GLY 17 4.063 4.768 1.026
84 HA2 GLY 17 HA2 GLY 17 6.259 5.629 -0.513
85 HA3 GLY 17 HA3 GLY 17 6.461 6.133 1.172
86 H THR 18 H THR 18 8.125 4.497 1.661
87 HA THR 18 HA THR 18 7.908 1.768 0.984
88 HB THR 18 HB THR 18 9.645 1.552 2.839
89 HG1 THR 18 HG1 THR 18 10.430 3.510 3.641
90 HG21 THR 18 HG21 THR 18 10.238 1.995 0.482
91 HG22 THR 18 HG22 THR 18 11.305 2.903 1.561
92 HG23 THR 18 HG23 THR 18 10.004 3.738 0.725
93 H GLY 19 H GLY 19 6.313 3.596 3.515
94 HA2 GLY 19 HA2 GLY 19 5.668 1.395 5.238
95 HA3 GLY 19 HA3 GLY 19 4.906 2.999 5.176
96 H CYS 20 H CYS 20 4.605 2.148 2.035
97 HA CYS 20 HA CYS 20 1.868 1.107 2.392
98 HB2 CYS 20 HB2 CYS 20 3.222 2.819 0.526
99 HB3 CYS 20 HB3 CYS 20 2.724 1.401 -0.339
100 H ARG 21 H ARG 21 1.477 -1.114 2.048
101 HA ARG 21 HA ARG 21 3.653 -2.862 1.992
102 HB2 ARG 21 HB2 ARG 21 0.749 -3.336 1.242
103 HB3 ARG 21 HB3 ARG 21 1.938 -4.587 1.604
104 HG2 ARG 21 HG2 ARG 21 1.428 -2.497 3.732
105 HG3 ARG 21 HG3 ARG 21 0.162 -3.652 3.394
106 HD2 ARG 21 HD2 ARG 21 1.485 -4.579 5.160
107 HD3 ARG 21 HD3 ARG 21 1.789 -5.527 3.713
108 HE ARG 21 HE ARG 21 3.627 -3.299 4.492
109 HH11 ARG 21 HH11 ARG 21 3.130 -6.764 4.608
110 HH12 ARG 21 HH12 ARG 21 4.806 -7.194 4.485
111 HH21 ARG 21 HH21 ARG 21 5.868 -3.786 4.112
112 HH22 ARG 21 HH22 ARG 21 6.398 -5.424 4.055
113 H CYS 22 H CYS 22 1.904 -1.443 -0.703
114 HA CYS 22 HA CYS 22 2.637 -3.293 -2.619
115 HB2 CYS 22 HB2 CYS 22 2.356 -0.287 -3.051
116 HB3 CYS 22 HB3 CYS 22 2.517 -1.469 -4.298
117 H THR 23 H THR 23 4.738 -0.715 -1.194
118 HA THR 23 HA THR 23 6.854 -1.628 -3.035
119 HB THR 23 HB THR 23 5.445 0.479 -3.685
120 HG1 THR 23 HG1 THR 23 8.222 0.487 -4.060
121 HG21 THR 23 HG21 THR 23 6.316 2.600 -3.249
122 HG22 THR 23 HG22 THR 23 7.604 1.972 -2.216
123 HG23 THR 23 HG23 THR 23 5.906 1.859 -1.685
124 H SER 24 H SER 24 6.637 -2.771 -0.776
125 HA SER 24 HA SER 24 8.121 -1.405 1.346
126 HB2 SER 24 HB2 SER 24 6.316 -3.188 1.653
127 HB3 SER 24 HB3 SER 24 7.516 -4.377 1.150
128 HG SER 24 HG SER 24 8.856 -3.436 2.942
129 H ALA 25 H ALA 25 9.903 -0.765 -0.005
130 HA ALA 25 HA ALA 25 11.668 -2.518 -1.408
131 HB1 ALA 25 HB1 ALA 25 12.199 0.187 -0.091
132 HB2 ALA 25 HB2 ALA 25 13.169 -0.571 -1.370
133 HB3 ALA 25 HB3 ALA 25 11.518 -0.045 -1.719
134 H ARG 26 H ARG 26 13.194 -3.944 -0.530
135 HA ARG 26 HA ARG 26 13.149 -4.374 2.287
136 HB2 ARG 26 HB2 ARG 26 13.606 -6.042 0.367
137 HB3 ARG 26 HB3 ARG 26 15.295 -5.514 0.479
138 HG2 ARG 26 HG2 ARG 26 15.509 -6.276 2.712
139 HG3 ARG 26 HG3 ARG 26 13.775 -6.351 2.979
140 HD2 ARG 26 HD2 ARG 26 15.530 -8.271 1.490
141 HD3 ARG 26 HD3 ARG 26 14.518 -8.583 2.895
142 HE ARG 26 HE ARG 26 13.897 -9.105 0.303
143 HH11 ARG 26 HH11 ARG 26 12.073 -7.125 2.736
144 HH12 ARG 26 HH12 ARG 26 10.573 -7.484 1.964
145 HH21 ARG 26 HH21 ARG 26 11.911 -9.660 -0.435
146 HH22 ARG 26 HH22 ARG 26 10.436 -9.202 0.353
Start of MODEL 32
1 H1 GLY 1 H GLY 1 -5.142 2.901 -13.194
2 HA2 GLY 1 HA2 GLY 1 -3.065 5.002 -13.043
3 HA3 GLY 1 HA3 GLY 1 -4.525 4.914 -12.037
4 H SER 2 H SER 2 -1.844 5.108 -11.079
5 HA SER 2 HA SER 2 -1.004 2.505 -10.034
6 HB2 SER 2 HB2 SER 2 -0.008 5.312 -9.403
7 HB3 SER 2 HB3 SER 2 0.857 3.785 -9.155
8 HG SER 2 HG SER 2 1.280 5.181 -11.141
9 H GLY 3 H GLY 3 -3.649 4.037 -9.267
10 HA2 GLY 3 HA2 GLY 3 -3.728 4.935 -6.654
11 HA3 GLY 3 HA3 GLY 3 -5.048 4.139 -7.522
12 H CYS 4 H CYS 4 -4.110 4.034 -4.695
13 HA CYS 4 HA CYS 4 -3.593 1.125 -4.383
14 HB2 CYS 4 HB2 CYS 4 -2.929 3.595 -2.876
15 HB3 CYS 4 HB3 CYS 4 -3.464 2.316 -1.839
16 H ASP 5 H ASP 5 -4.811 -0.155 -2.893
17 HA ASP 5 HA ASP 5 -7.244 0.956 -1.781
18 HB2 ASP 5 HB2 ASP 5 -8.536 -0.842 -2.851
19 HB3 ASP 5 HB3 ASP 5 -7.820 0.195 -4.075
20 H ASP 6 H ASP 6 -8.215 -1.368 -0.913
21 HA ASP 6 HA ASP 6 -6.340 -2.277 1.156
22 HB2 ASP 6 HB2 ASP 6 -9.306 -2.666 0.548
23 HB3 ASP 6 HB3 ASP 6 -8.482 -3.472 1.886
24 H LYS 7 H LYS 7 -7.232 -3.241 -1.969
25 HA LYS 7 HA LYS 7 -7.282 -6.170 -1.539
26 HB2 LYS 7 HB2 LYS 7 -7.042 -4.621 -4.155
27 HB3 LYS 7 HB3 LYS 7 -7.185 -6.357 -4.020
28 HG2 LYS 7 HG2 LYS 7 -9.329 -4.377 -3.142
29 HG3 LYS 7 HG3 LYS 7 -9.298 -5.287 -4.659
30 HD2 LYS 7 HD2 LYS 7 -9.292 -7.434 -3.308
31 HD3 LYS 7 HD3 LYS 7 -9.546 -6.446 -1.853
32 HE2 LYS 7 HE2 LYS 7 -11.596 -5.463 -3.008
33 HE3 LYS 7 HE3 LYS 7 -11.358 -6.661 -4.299
34 HZ1 LYS 7 HZ1 LYS 7 -12.939 -7.500 -2.726
35 HZ2 LYS 7 HZ2 LYS 7 -11.945 -7.204 -1.453
36 HZ3 LYS 7 HZ3 LYS 7 -11.588 -8.385 -2.562
37 H CYS 8 H CYS 8 -5.099 -3.647 -2.726
38 HA CYS 8 HA CYS 8 -2.951 -5.408 -3.272
39 HB2 CYS 8 HB2 CYS 8 -1.617 -3.567 -3.549
40 HB3 CYS 8 HB3 CYS 8 -3.225 -3.090 -4.108
41 H GLY 9 H GLY 9 -4.375 -4.941 -0.269
42 HA2 GLY 9 HA2 GLY 9 -3.711 -5.618 1.791
43 HA3 GLY 9 HA3 GLY 9 -2.122 -5.989 1.148
44 H CYS 10 H CYS 10 -3.482 -2.764 0.689
45 HA CYS 10 HA CYS 10 -1.215 -1.740 2.395
46 HB2 CYS 10 HB2 CYS 10 -2.943 -0.502 0.276
47 HB3 CYS 10 HB3 CYS 10 -2.492 0.496 1.642
48 H ALA 11 H ALA 11 -1.550 -0.759 4.350
49 HA ALA 11 HA ALA 11 -4.153 -0.898 5.582
50 HB1 ALA 11 HB1 ALA 11 -3.041 0.361 7.415
51 HB2 ALA 11 HB2 ALA 11 -2.088 -1.051 6.961
52 HB3 ALA 11 HB3 ALA 11 -1.588 0.580 6.419
53 H VAL 12 H VAL 12 -5.505 0.882 5.827
54 HA VAL 12 HA VAL 12 -4.939 3.249 4.125
55 HB VAL 12 HB VAL 12 -7.348 3.243 3.523
56 HG11 VAL 12 HG11 VAL 12 -7.160 1.510 1.824
57 HG12 VAL 12 HG12 VAL 12 -5.562 2.248 2.037
58 HG13 VAL 12 HG13 VAL 12 -5.942 0.651 2.736
59 HG21 VAL 12 HG21 VAL 12 -7.397 0.433 4.720
60 HG22 VAL 12 HG22 VAL 12 -8.243 1.839 5.388
61 HG23 VAL 12 HG23 VAL 12 -8.681 1.213 3.797
62 HA PRO 13 HA PRO 13 -6.488 5.320 3.739
63 HB2 PRO 13 HB2 PRO 13 -5.706 7.883 4.393
64 HB3 PRO 13 HB3 PRO 13 -7.367 7.264 4.566
65 HG2 PRO 13 HG2 PRO 13 -5.280 7.532 6.715
66 HG3 PRO 13 HG3 PRO 13 -7.020 7.935 6.774
67 HD2 PRO 13 HD2 PRO 13 -5.981 5.593 7.768
68 HD3 PRO 13 HD3 PRO 13 -7.610 5.679 7.041
69 H CYS 14 H CYS 14 -4.831 5.487 2.243
70 HA CYS 14 HA CYS 14 -2.323 4.456 2.980
71 HB2 CYS 14 HB2 CYS 14 -3.521 5.338 0.455
72 HB3 CYS 14 HB3 CYS 14 -1.822 5.800 0.561
73 HA PRO 15 HA PRO 15 -0.597 8.125 4.856
74 HB2 PRO 15 HB2 PRO 15 1.936 7.293 5.441
75 HB3 PRO 15 HB3 PRO 15 0.477 6.680 6.284
76 HG2 PRO 15 HG2 PRO 15 1.883 5.449 3.904
77 HG3 PRO 15 HG3 PRO 15 1.458 4.659 5.464
78 HD2 PRO 15 HD2 PRO 15 -0.128 4.406 3.307
79 HD3 PRO 15 HD3 PRO 15 -0.851 4.648 4.933
80 H GLY 16 H GLY 16 0.274 7.086 1.750
81 HA2 GLY 16 HA2 GLY 16 0.857 8.479 0.040
82 HA3 GLY 16 HA3 GLY 16 1.366 9.719 1.152
83 H GLY 17 H GLY 17 3.377 7.807 2.479
84 HA2 GLY 17 HA2 GLY 17 5.242 7.444 0.152
85 HA3 GLY 17 HA3 GLY 17 5.659 8.450 1.521
86 H THR 18 H THR 18 7.173 7.497 2.695
87 HA THR 18 HA THR 18 7.921 4.874 2.637
88 HB THR 18 HB THR 18 8.538 5.905 5.226
89 HG1 THR 18 HG1 THR 18 8.953 7.877 3.202
90 HG21 THR 18 HG21 THR 18 10.802 6.144 4.305
91 HG22 THR 18 HG22 THR 18 10.173 5.946 2.660
92 HG23 THR 18 HG23 THR 18 10.069 4.605 3.824
93 H GLY 19 H GLY 19 5.290 6.160 4.700
94 HA2 GLY 19 HA2 GLY 19 5.210 3.791 6.375
95 HA3 GLY 19 HA3 GLY 19 3.958 5.029 6.230
96 H CYS 20 H CYS 20 4.325 4.319 3.109
97 HA CYS 20 HA CYS 20 1.938 2.773 2.880
98 HB2 CYS 20 HB2 CYS 20 2.953 4.423 1.165
99 HB3 CYS 20 HB3 CYS 20 4.189 3.229 0.885
100 H ARG 21 H ARG 21 1.754 0.491 3.088
101 HA ARG 21 HA ARG 21 4.001 -1.040 3.864
102 HB2 ARG 21 HB2 ARG 21 1.377 -2.152 2.821
103 HB3 ARG 21 HB3 ARG 21 2.517 -2.890 3.951
104 HG2 ARG 21 HG2 ARG 21 1.888 -0.686 5.390
105 HG3 ARG 21 HG3 ARG 21 0.432 -0.758 4.383
106 HD2 ARG 21 HD2 ARG 21 1.496 -2.755 6.364
107 HD3 ARG 21 HD3 ARG 21 -0.041 -1.917 6.428
108 HE ARG 21 HE ARG 21 -0.232 -3.483 4.123
109 HH11 ARG 21 HH11 ARG 21 0.546 -4.238 7.548
110 HH12 ARG 21 HH12 ARG 21 -0.078 -5.831 7.401
111 HH21 ARG 21 HH21 ARG 21 -0.903 -5.558 3.969
112 HH22 ARG 21 HH22 ARG 21 -0.870 -6.662 5.303
113 H CYS 22 H CYS 22 3.439 0.068 0.883
114 HA CYS 22 HA CYS 22 4.222 -2.318 -0.636
115 HB2 CYS 22 HB2 CYS 22 3.440 0.473 -1.489
116 HB3 CYS 22 HB3 CYS 22 4.112 -0.690 -2.608
117 H THR 23 H THR 23 5.635 0.783 0.587
118 HA THR 23 HA THR 23 7.876 0.626 -1.274
119 HB THR 23 HB THR 23 8.576 2.606 0.139
120 HG1 THR 23 HG1 THR 23 7.264 2.160 1.990
121 HG21 THR 23 HG21 THR 23 7.333 2.860 -2.016
122 HG22 THR 23 HG22 THR 23 6.929 4.128 -0.845
123 HG23 THR 23 HG23 THR 23 5.801 2.785 -1.124
124 H SER 24 H SER 24 7.058 -1.255 1.357
125 HA SER 24 HA SER 24 9.755 -1.451 2.477
126 HB2 SER 24 HB2 SER 24 8.169 -2.981 4.036
127 HB3 SER 24 HB3 SER 24 8.396 -1.229 4.231
128 HG SER 24 HG SER 24 6.221 -2.046 4.281
129 H ALA 25 H ALA 25 7.885 -3.071 0.036
130 HA ALA 25 HA ALA 25 9.818 -5.122 -0.259
131 HB1 ALA 25 HB1 ALA 25 7.071 -5.945 0.842
132 HB2 ALA 25 HB2 ALA 25 8.235 -7.052 0.081
133 HB3 ALA 25 HB3 ALA 25 8.653 -6.259 1.601
134 H ARG 26 H ARG 26 9.482 -6.115 -2.344
135 HA ARG 26 HA ARG 26 7.742 -4.606 -4.133
136 HB2 ARG 26 HB2 ARG 26 9.538 -5.347 -5.338
137 HB3 ARG 26 HB3 ARG 26 9.720 -6.830 -4.432
138 HG2 ARG 26 HG2 ARG 26 7.811 -7.841 -5.617
139 HG3 ARG 26 HG3 ARG 26 7.546 -6.333 -6.525
140 HD2 ARG 26 HD2 ARG 26 9.575 -6.615 -7.737
141 HD3 ARG 26 HD3 ARG 26 10.185 -7.791 -6.559
142 HE ARG 26 HE ARG 26 7.758 -8.696 -7.860
143 HH11 ARG 26 HH11 ARG 26 11.292 -8.484 -8.210
144 HH12 ARG 26 HH12 ARG 26 11.420 -9.984 -9.075
145 HH21 ARG 26 HH21 ARG 26 7.950 -10.678 -9.046
146 HH22 ARG 26 HH22 ARG 26 9.521 -11.200 -9.580
Start of MODEL 33
1 H1 GLY 1 H GLY 1 -3.238 8.040 -11.992
2 HA2 GLY 1 HA2 GLY 1 -5.168 7.608 -10.580
3 HA3 GLY 1 HA3 GLY 1 -5.087 6.402 -11.873
4 H SER 2 H SER 2 -5.259 4.306 -11.232
5 HA SER 2 HA SER 2 -5.497 3.525 -8.608
6 HB2 SER 2 HB2 SER 2 -5.160 1.205 -9.543
7 HB3 SER 2 HB3 SER 2 -6.385 2.184 -10.371
8 HG SER 2 HG SER 2 -4.212 1.024 -11.400
9 H GLY 3 H GLY 3 -4.159 2.439 -7.170
10 HA2 GLY 3 HA2 GLY 3 -1.395 1.839 -7.610
11 HA3 GLY 3 HA3 GLY 3 -1.545 3.438 -6.846
12 H CYS 4 H CYS 4 -4.005 2.755 -5.306
13 HA CYS 4 HA CYS 4 -3.431 0.545 -3.648
14 HB2 CYS 4 HB2 CYS 4 -2.432 3.241 -2.874
15 HB3 CYS 4 HB3 CYS 4 -3.345 2.374 -1.650
16 H ASP 5 H ASP 5 -5.082 -0.068 -2.420
17 HA ASP 5 HA ASP 5 -7.407 1.631 -1.952
18 HB2 ASP 5 HB2 ASP 5 -7.369 -1.112 -3.281
19 HB3 ASP 5 HB3 ASP 5 -8.817 -0.168 -2.914
20 H ASP 6 H ASP 6 -8.842 0.279 -0.421
21 HA ASP 6 HA ASP 6 -7.211 -1.038 1.582
22 HB2 ASP 6 HB2 ASP 6 -9.165 0.538 2.019
23 HB3 ASP 6 HB3 ASP 6 -10.232 -0.788 1.562
24 H LYS 7 H LYS 7 -8.038 -2.175 -1.183
25 HA LYS 7 HA LYS 7 -8.920 -4.914 -0.316
26 HB2 LYS 7 HB2 LYS 7 -9.763 -5.394 -2.457
27 HB3 LYS 7 HB3 LYS 7 -10.486 -3.897 -1.866
28 HG2 LYS 7 HG2 LYS 7 -8.904 -2.623 -3.323
29 HG3 LYS 7 HG3 LYS 7 -8.354 -4.149 -4.032
30 HD2 LYS 7 HD2 LYS 7 -11.254 -3.212 -3.978
31 HD3 LYS 7 HD3 LYS 7 -10.152 -2.820 -5.296
32 HE2 LYS 7 HE2 LYS 7 -10.345 -4.804 -6.278
33 HE3 LYS 7 HE3 LYS 7 -10.140 -5.708 -4.778
34 HZ1 LYS 7 HZ1 LYS 7 -12.462 -5.537 -4.357
35 HZ2 LYS 7 HZ2 LYS 7 -12.302 -6.000 -5.913
36 HZ3 LYS 7 HZ3 LYS 7 -12.724 -4.454 -5.529
37 H CYS 8 H CYS 8 -6.369 -3.002 -1.631
38 HA CYS 8 HA CYS 8 -4.886 -5.243 -2.775
39 HB2 CYS 8 HB2 CYS 8 -3.144 -3.700 -3.141
40 HB3 CYS 8 HB3 CYS 8 -4.603 -2.787 -3.478
41 H GLY 9 H GLY 9 -5.608 -4.526 0.462
42 HA2 GLY 9 HA2 GLY 9 -4.739 -5.430 2.344
43 HA3 GLY 9 HA3 GLY 9 -3.352 -6.042 1.437
44 H CYS 10 H CYS 10 -4.633 -2.564 1.906
45 HA CYS 10 HA CYS 10 -2.107 -1.952 3.330
46 HB2 CYS 10 HB2 CYS 10 -3.158 -0.523 0.848
47 HB3 CYS 10 HB3 CYS 10 -2.384 0.285 2.182
48 H ALA 11 H ALA 11 -2.780 -0.748 5.114
49 HA ALA 11 HA ALA 11 -5.489 -0.239 5.513
50 HB1 ALA 11 HB1 ALA 11 -3.889 -0.446 7.381
51 HB2 ALA 11 HB2 ALA 11 -3.032 1.011 6.836
52 HB3 ALA 11 HB3 ALA 11 -4.689 1.126 7.447
53 H VAL 12 H VAL 12 -6.609 1.669 5.380
54 HA VAL 12 HA VAL 12 -5.418 3.796 3.702
55 HB VAL 12 HB VAL 12 -7.532 4.219 2.681
56 HG11 VAL 12 HG11 VAL 12 -7.569 2.318 1.185
57 HG12 VAL 12 HG12 VAL 12 -5.893 2.661 1.645
58 HG13 VAL 12 HG13 VAL 12 -6.757 1.296 2.381
59 HG21 VAL 12 HG21 VAL 12 -8.595 1.729 4.088
60 HG22 VAL 12 HG22 VAL 12 -9.092 3.401 4.421
61 HG23 VAL 12 HG23 VAL 12 -9.438 2.689 2.854
62 HA PRO 13 HA PRO 13 -6.156 6.010 3.066
63 HB2 PRO 13 HB2 PRO 13 -5.046 8.402 3.753
64 HB3 PRO 13 HB3 PRO 13 -6.821 8.120 3.671
65 HG2 PRO 13 HG2 PRO 13 -5.042 8.093 6.132
66 HG3 PRO 13 HG3 PRO 13 -6.612 8.940 5.897
67 HD2 PRO 13 HD2 PRO 13 -6.418 6.489 7.115
68 HD3 PRO 13 HD3 PRO 13 -7.830 6.934 6.113
69 H CYS 14 H CYS 14 -4.202 5.529 2.066
70 HA CYS 14 HA CYS 14 -2.112 4.329 3.660
71 HB2 CYS 14 HB2 CYS 14 -2.311 5.126 0.733
72 HB3 CYS 14 HB3 CYS 14 -0.795 4.591 1.442
73 HA PRO 15 HA PRO 15 0.028 8.050 4.752
74 HB2 PRO 15 HB2 PRO 15 2.642 7.176 5.079
75 HB3 PRO 15 HB3 PRO 15 1.318 6.906 6.247
76 HG2 PRO 15 HG2 PRO 15 2.349 5.022 4.114
77 HG3 PRO 15 HG3 PRO 15 1.957 4.655 5.823
78 HD2 PRO 15 HD2 PRO 15 0.227 4.121 3.805
79 HD3 PRO 15 HD3 PRO 15 -0.364 4.720 5.387
80 H GLY 16 H GLY 16 1.726 6.149 2.224
81 HA2 GLY 16 HA2 GLY 16 1.663 7.582 0.045
82 HA3 GLY 16 HA3 GLY 16 2.708 8.653 0.980
83 H GLY 17 H GLY 17 4.659 7.696 1.944
84 HA2 GLY 17 HA2 GLY 17 5.849 5.521 0.257
85 HA3 GLY 17 HA3 GLY 17 6.719 6.936 0.874
86 H THR 18 H THR 18 6.727 7.236 3.266
87 HA THR 18 HA THR 18 7.894 5.266 4.693
88 HB THR 18 HB THR 18 6.158 7.471 5.828
89 HG1 THR 18 HG1 THR 18 8.739 8.090 4.901
90 HG21 THR 18 HG21 THR 18 7.428 6.170 7.478
91 HG22 THR 18 HG22 THR 18 8.028 7.826 7.394
92 HG23 THR 18 HG23 THR 18 8.946 6.521 6.617
93 H GLY 19 H GLY 19 7.115 3.334 5.367
94 HA2 GLY 19 HA2 GLY 19 5.837 1.840 6.520
95 HA3 GLY 19 HA3 GLY 19 4.638 3.078 6.832
96 H CYS 20 H CYS 20 5.027 2.963 3.442
97 HA CYS 20 HA CYS 20 2.444 1.648 3.188
98 HB2 CYS 20 HB2 CYS 20 3.378 3.592 1.856
99 HB3 CYS 20 HB3 CYS 20 4.350 2.460 0.964
100 H ARG 21 H ARG 21 2.080 -0.705 2.736
101 HA ARG 21 HA ARG 21 4.519 -2.207 3.007
102 HB2 ARG 21 HB2 ARG 21 3.328 -3.896 3.754
103 HB3 ARG 21 HB3 ARG 21 2.345 -2.578 4.289
104 HG2 ARG 21 HG2 ARG 21 0.632 -3.091 2.628
105 HG3 ARG 21 HG3 ARG 21 1.731 -4.120 1.719
106 HD2 ARG 21 HD2 ARG 21 0.580 -5.722 2.706
107 HD3 ARG 21 HD3 ARG 21 1.885 -5.561 3.890
108 HE ARG 21 HE ARG 21 0.006 -3.911 4.935
109 HH11 ARG 21 HH11 ARG 21 -0.106 -7.293 3.864
110 HH12 ARG 21 HH12 ARG 21 -1.580 -7.671 4.673
111 HH21 ARG 21 HH21 ARG 21 -2.014 -4.343 5.968
112 HH22 ARG 21 HH22 ARG 21 -2.696 -5.934 5.902
113 H CYS 22 H CYS 22 2.470 -1.643 0.161
114 HA CYS 22 HA CYS 22 3.369 -4.113 -1.076
115 HB2 CYS 22 HB2 CYS 22 2.740 -1.578 -2.594
116 HB3 CYS 22 HB3 CYS 22 2.802 -3.194 -3.241
117 H THR 23 H THR 23 4.919 -1.146 -0.379
118 HA THR 23 HA THR 23 7.084 -1.428 -2.321
119 HB THR 23 HB THR 23 7.201 1.092 -1.556
120 HG1 THR 23 HG1 THR 23 5.809 1.405 -0.059
121 HG21 THR 23 HG21 THR 23 5.481 1.699 -3.234
122 HG22 THR 23 HG22 THR 23 4.849 0.043 -3.215
123 HG23 THR 23 HG23 THR 23 6.493 0.371 -3.795
124 H SER 24 H SER 24 6.545 -2.702 0.669
125 HA SER 24 HA SER 24 8.873 -1.585 2.030
126 HB2 SER 24 HB2 SER 24 8.284 -3.111 3.796
127 HB3 SER 24 HB3 SER 24 6.859 -2.223 3.269
128 HG SER 24 HG SER 24 7.588 -4.899 2.704
129 H ALA 25 H ALA 25 9.204 -2.865 -0.662
130 HA ALA 25 HA ALA 25 11.455 -4.611 -0.151
131 HB1 ALA 25 HB1 ALA 25 9.487 -6.190 -0.305
132 HB2 ALA 25 HB2 ALA 25 9.079 -5.474 -1.882
133 HB3 ALA 25 HB3 ALA 25 10.599 -6.358 -1.683
134 H ARG 26 H ARG 26 12.368 -5.083 -2.493
135 HA ARG 26 HA ARG 26 12.838 -2.580 -3.761
136 HB2 ARG 26 HB2 ARG 26 13.999 -3.818 -5.510
137 HB3 ARG 26 HB3 ARG 26 14.502 -4.293 -3.887
138 HG2 ARG 26 HG2 ARG 26 13.060 -6.338 -4.074
139 HG3 ARG 26 HG3 ARG 26 12.655 -5.875 -5.743
140 HD2 ARG 26 HD2 ARG 26 14.981 -6.067 -6.428
141 HD3 ARG 26 HD3 ARG 26 15.505 -6.183 -4.761
142 HE ARG 26 HE ARG 26 15.050 -8.371 -4.686
143 HH11 ARG 26 HH11 ARG 26 13.426 -7.187 -7.642
144 HH12 ARG 26 HH12 ARG 26 12.635 -8.706 -7.920
145 HH21 ARG 26 HH21 ARG 26 14.421 -10.378 -5.344
146 HH22 ARG 26 HH22 ARG 26 13.411 -10.656 -6.720
Start of MODEL 34
1 H1 GLY 1 H GLY 1 -9.863 6.459 -10.881
2 HA2 GLY 1 HA2 GLY 1 -8.590 4.800 -12.107
3 HA3 GLY 1 HA3 GLY 1 -7.655 6.310 -11.999
4 H SER 2 H SER 2 -5.546 5.622 -11.808
5 HA SER 2 HA SER 2 -4.727 3.264 -10.393
6 HB2 SER 2 HB2 SER 2 -3.362 4.244 -12.150
7 HB3 SER 2 HB3 SER 2 -3.296 5.803 -11.309
8 HG SER 2 HG SER 2 -1.430 4.269 -11.181
9 H GLY 3 H GLY 3 -3.665 3.184 -8.281
10 HA2 GLY 3 HA2 GLY 3 -2.925 4.801 -6.395
11 HA3 GLY 3 HA3 GLY 3 -4.626 5.295 -6.392
12 H CYS 4 H CYS 4 -3.977 4.459 -4.082
13 HA CYS 4 HA CYS 4 -4.536 1.541 -3.903
14 HB2 CYS 4 HB2 CYS 4 -3.440 3.487 -1.932
15 HB3 CYS 4 HB3 CYS 4 -3.799 1.837 -1.501
16 H ASP 5 H ASP 5 -5.748 0.592 -2.386
17 HA ASP 5 HA ASP 5 -7.934 1.997 -1.128
18 HB2 ASP 5 HB2 ASP 5 -9.301 0.057 -2.209
19 HB3 ASP 5 HB3 ASP 5 -8.888 1.429 -3.219
20 H ASP 6 H ASP 6 -9.004 -0.044 -0.001
21 HA ASP 6 HA ASP 6 -6.911 -1.403 1.535
22 HB2 ASP 6 HB2 ASP 6 -8.775 0.034 2.541
23 HB3 ASP 6 HB3 ASP 6 -9.883 -1.265 2.102
24 H LYS 7 H LYS 7 -8.144 -2.161 -1.260
25 HA LYS 7 HA LYS 7 -8.921 -4.978 -0.593
26 HB2 LYS 7 HB2 LYS 7 -9.875 -5.160 -2.819
27 HB3 LYS 7 HB3 LYS 7 -10.666 -3.867 -1.901
28 HG2 LYS 7 HG2 LYS 7 -9.532 -2.161 -3.121
29 HG3 LYS 7 HG3 LYS 7 -8.422 -3.340 -3.860
30 HD2 LYS 7 HD2 LYS 7 -10.518 -4.301 -5.002
31 HD3 LYS 7 HD3 LYS 7 -11.265 -2.741 -4.567
32 HE2 LYS 7 HE2 LYS 7 -9.592 -1.495 -5.780
33 HE3 LYS 7 HE3 LYS 7 -8.594 -2.926 -5.995
34 HZ1 LYS 7 HZ1 LYS 7 -10.275 -3.854 -7.438
35 HZ2 LYS 7 HZ2 LYS 7 -9.681 -2.469 -7.993
36 HZ3 LYS 7 HZ3 LYS 7 -11.196 -2.491 -7.311
37 H CYS 8 H CYS 8 -6.618 -2.809 -2.200
38 HA CYS 8 HA CYS 8 -5.225 -4.846 -3.586
39 HB2 CYS 8 HB2 CYS 8 -3.640 -3.312 -4.134
40 HB3 CYS 8 HB3 CYS 8 -5.156 -2.442 -4.201
41 H GLY 9 H GLY 9 -5.363 -4.479 -0.203
42 HA2 GLY 9 HA2 GLY 9 -4.080 -5.672 1.329
43 HA3 GLY 9 HA3 GLY 9 -2.854 -5.993 0.097
44 H CYS 10 H CYS 10 -4.219 -2.726 1.053
45 HA CYS 10 HA CYS 10 -1.625 -2.051 2.313
46 HB2 CYS 10 HB2 CYS 10 -3.202 -0.370 0.304
47 HB3 CYS 10 HB3 CYS 10 -2.108 0.197 1.556
48 H ALA 11 H ALA 11 -2.210 -1.250 4.340
49 HA ALA 11 HA ALA 11 -4.957 -1.058 5.024
50 HB1 ALA 11 HB1 ALA 11 -3.069 -1.534 6.646
51 HB2 ALA 11 HB2 ALA 11 -2.546 0.163 6.460
52 HB3 ALA 11 HB3 ALA 11 -4.134 -0.203 7.141
53 H VAL 12 H VAL 12 -5.942 0.887 5.782
54 HA VAL 12 HA VAL 12 -5.189 3.298 4.299
55 HB VAL 12 HB VAL 12 -7.585 3.773 3.934
56 HG11 VAL 12 HG11 VAL 12 -7.768 2.318 1.976
57 HG12 VAL 12 HG12 VAL 12 -6.104 2.900 2.157
58 HG13 VAL 12 HG13 VAL 12 -6.519 1.227 2.612
59 HG21 VAL 12 HG21 VAL 12 -7.985 0.819 4.630
60 HG22 VAL 12 HG22 VAL 12 -8.527 2.162 5.635
61 HG23 VAL 12 HG23 VAL 12 -9.212 1.941 4.025
62 HA PRO 13 HA PRO 13 -6.075 5.589 4.304
63 HB2 PRO 13 HB2 PRO 13 -4.792 7.796 5.239
64 HB3 PRO 13 HB3 PRO 13 -6.543 7.526 5.465
65 HG2 PRO 13 HG2 PRO 13 -4.322 7.035 7.450
66 HG3 PRO 13 HG3 PRO 13 -5.907 7.822 7.724
67 HD2 PRO 13 HD2 PRO 13 -5.421 5.177 8.324
68 HD3 PRO 13 HD3 PRO 13 -7.020 5.755 7.789
69 H CYS 14 H CYS 14 -4.437 5.218 2.863
70 HA CYS 14 HA CYS 14 -2.194 3.737 3.675
71 HB2 CYS 14 HB2 CYS 14 -3.346 4.417 1.206
72 HB3 CYS 14 HB3 CYS 14 -1.732 5.097 1.147
73 HA PRO 15 HA PRO 15 0.466 6.962 5.110
74 HB2 PRO 15 HB2 PRO 15 2.918 5.716 5.161
75 HB3 PRO 15 HB3 PRO 15 1.588 5.391 6.307
76 HG2 PRO 15 HG2 PRO 15 2.240 3.829 3.780
77 HG3 PRO 15 HG3 PRO 15 1.962 3.187 5.439
78 HD2 PRO 15 HD2 PRO 15 0.017 3.234 3.553
79 HD3 PRO 15 HD3 PRO 15 -0.374 3.626 5.256
80 H GLY 16 H GLY 16 1.177 5.536 1.935
81 HA2 GLY 16 HA2 GLY 16 1.458 7.289 0.139
82 HA3 GLY 16 HA3 GLY 16 2.679 8.044 1.173
83 H GLY 17 H GLY 17 4.798 7.334 0.992
84 HA2 GLY 17 HA2 GLY 17 5.357 5.068 -0.863
85 HA3 GLY 17 HA3 GLY 17 6.502 6.309 -0.302
86 H THR 18 H THR 18 6.578 6.412 2.212
87 HA THR 18 HA THR 18 7.844 4.228 3.323
88 HB THR 18 HB THR 18 6.347 6.583 4.588
89 HG1 THR 18 HG1 THR 18 8.834 7.229 4.340
90 HG21 THR 18 HG21 THR 18 8.839 5.197 5.640
91 HG22 THR 18 HG22 THR 18 7.199 4.992 6.302
92 HG23 THR 18 HG23 THR 18 7.992 6.578 6.349
93 H GLY 19 H GLY 19 7.092 2.496 4.599
94 HA2 GLY 19 HA2 GLY 19 5.658 0.970 5.511
95 HA3 GLY 19 HA3 GLY 19 4.533 2.295 5.803
96 H CYS 20 H CYS 20 5.030 2.236 2.442
97 HA CYS 20 HA CYS 20 2.427 1.026 2.062
98 HB2 CYS 20 HB2 CYS 20 3.192 3.045 0.889
99 HB3 CYS 20 HB3 CYS 20 4.331 2.037 -0.012
100 H ARG 21 H ARG 21 2.112 -1.195 1.746
101 HA ARG 21 HA ARG 21 4.276 -2.971 1.666
102 HB2 ARG 21 HB2 ARG 21 1.424 -3.660 0.828
103 HB3 ARG 21 HB3 ARG 21 2.674 -4.714 1.497
104 HG2 ARG 21 HG2 ARG 21 2.611 -3.048 3.534
105 HG3 ARG 21 HG3 ARG 21 1.033 -2.582 2.884
106 HD2 ARG 21 HD2 ARG 21 0.243 -4.906 3.086
107 HD3 ARG 21 HD3 ARG 21 1.839 -5.400 3.698
108 HE ARG 21 HE ARG 21 1.251 -3.412 5.404
109 HH11 ARG 21 HH11 ARG 21 -0.244 -6.538 4.611
110 HH12 ARG 21 HH12 ARG 21 -1.123 -6.599 6.102
111 HH21 ARG 21 HH21 ARG 21 -0.045 -3.467 7.317
112 HH22 ARG 21 HH22 ARG 21 -0.971 -4.894 7.655
113 H CYS 22 H CYS 22 2.306 -1.689 -0.975
114 HA CYS 22 HA CYS 22 3.081 -3.502 -2.903
115 HB2 CYS 22 HB2 CYS 22 2.709 -0.524 -3.374
116 HB3 CYS 22 HB3 CYS 22 2.730 -1.750 -4.613
117 H THR 23 H THR 23 4.841 -0.605 -1.761
118 HA THR 23 HA THR 23 7.078 -1.093 -3.602
119 HB THR 23 HB THR 23 7.558 1.341 -2.805
120 HG1 THR 23 HG1 THR 23 6.202 1.724 -1.204
121 HG21 THR 23 HG21 THR 23 6.771 0.842 -5.035
122 HG22 THR 23 HG22 THR 23 5.917 2.257 -4.405
123 HG23 THR 23 HG23 THR 23 5.093 0.673 -4.479
124 H SER 24 H SER 24 6.616 -2.837 -1.254
125 HA SER 24 HA SER 24 8.313 -1.959 0.887
126 HB2 SER 24 HB2 SER 24 6.533 -3.771 1.000
127 HB3 SER 24 HB3 SER 24 7.646 -4.830 0.115
128 HG SER 24 HG SER 24 9.135 -4.509 1.884
129 H ALA 25 H ALA 25 10.343 -1.436 0.376
130 HA ALA 25 HA ALA 25 11.818 -2.594 -1.877
131 HB1 ALA 25 HB1 ALA 25 13.615 -1.020 -0.985
132 HB2 ALA 25 HB2 ALA 25 12.101 -0.202 -1.406
133 HB3 ALA 25 HB3 ALA 25 12.478 -0.538 0.289
134 H ARG 26 H ARG 26 13.877 -3.621 -1.529
135 HA ARG 26 HA ARG 26 14.369 -4.816 1.131
136 HB2 ARG 26 HB2 ARG 26 14.237 -6.341 -1.511
137 HB3 ARG 26 HB3 ARG 26 14.721 -6.977 0.059
138 HG2 ARG 26 HG2 ARG 26 12.463 -6.507 0.974
139 HG3 ARG 26 HG3 ARG 26 11.944 -5.942 -0.618
140 HD2 ARG 26 HD2 ARG 26 12.883 -8.743 0.078
141 HD3 ARG 26 HD3 ARG 26 11.222 -8.235 -0.218
142 HE ARG 26 HE ARG 26 13.216 -8.961 -2.121
143 HH11 ARG 26 HH11 ARG 26 10.189 -7.041 -1.807
144 HH12 ARG 26 HH12 ARG 26 10.088 -6.762 -3.522
145 HH21 ARG 26 HH21 ARG 26 12.930 -8.580 -4.401
146 HH22 ARG 26 HH22 ARG 26 11.505 -7.742 -4.957
Start of MODEL 35
1 H1 GLY 1 H GLY 1 -8.753 9.130 -6.536
2 HA2 GLY 1 HA2 GLY 1 -6.501 8.643 -8.394
3 HA3 GLY 1 HA3 GLY 1 -6.332 8.973 -6.657
4 H SER 2 H SER 2 -6.496 6.511 -8.979
5 HA SER 2 HA SER 2 -7.126 4.457 -6.906
6 HB2 SER 2 HB2 SER 2 -7.851 4.348 -9.839
7 HB3 SER 2 HB3 SER 2 -8.248 3.147 -8.599
8 HG SER 2 HG SER 2 -9.910 4.752 -9.197
9 H GLY 3 H GLY 3 -4.642 5.162 -6.942
10 HA2 GLY 3 HA2 GLY 3 -3.115 3.399 -8.844
11 HA3 GLY 3 HA3 GLY 3 -2.481 4.777 -7.926
12 H CYS 4 H CYS 4 -4.404 3.598 -5.789
13 HA CYS 4 HA CYS 4 -2.976 1.292 -4.789
14 HB2 CYS 4 HB2 CYS 4 -2.339 3.974 -3.872
15 HB3 CYS 4 HB3 CYS 4 -3.137 3.097 -2.567
16 H ASP 5 H ASP 5 -4.330 -0.060 -3.693
17 HA ASP 5 HA ASP 5 -6.808 1.080 -2.575
18 HB2 ASP 5 HB2 ASP 5 -6.569 -1.337 -4.408
19 HB3 ASP 5 HB3 ASP 5 -8.050 -0.811 -3.614
20 H ASP 6 H ASP 6 -7.913 -0.863 -1.434
21 HA ASP 6 HA ASP 6 -6.226 -1.814 0.737
22 HB2 ASP 6 HB2 ASP 6 -9.055 -1.365 0.097
23 HB3 ASP 6 HB3 ASP 6 -8.866 -2.970 0.760
24 H LYS 7 H LYS 7 -6.916 -3.041 -2.268
25 HA LYS 7 HA LYS 7 -7.080 -5.925 -1.528
26 HB2 LYS 7 HB2 LYS 7 -7.253 -4.623 -4.272
27 HB3 LYS 7 HB3 LYS 7 -7.522 -6.316 -3.901
28 HG2 LYS 7 HG2 LYS 7 -9.254 -4.028 -2.872
29 HG3 LYS 7 HG3 LYS 7 -9.587 -5.012 -4.294
30 HD2 LYS 7 HD2 LYS 7 -9.604 -7.072 -2.792
31 HD3 LYS 7 HD3 LYS 7 -9.427 -5.977 -1.413
32 HE2 LYS 7 HE2 LYS 7 -11.759 -6.531 -1.621
33 HE3 LYS 7 HE3 LYS 7 -11.545 -4.833 -2.056
34 HZ1 LYS 7 HZ1 LYS 7 -12.992 -5.905 -3.609
35 HZ2 LYS 7 HZ2 LYS 7 -11.872 -7.078 -3.946
36 HZ3 LYS 7 HZ3 LYS 7 -11.617 -5.510 -4.396
37 H CYS 8 H CYS 8 -4.897 -3.542 -2.923
38 HA CYS 8 HA CYS 8 -3.051 -5.485 -3.929
39 HB2 CYS 8 HB2 CYS 8 -1.504 -3.712 -4.236
40 HB3 CYS 8 HB3 CYS 8 -3.119 -3.227 -4.766
41 H GLY 9 H GLY 9 -3.984 -5.092 -0.753
42 HA2 GLY 9 HA2 GLY 9 -3.072 -6.024 1.121
43 HA3 GLY 9 HA3 GLY 9 -1.558 -6.330 0.249
44 H CYS 10 H CYS 10 -3.300 -3.183 0.614
45 HA CYS 10 HA CYS 10 -0.917 -2.169 2.186
46 HB2 CYS 10 HB2 CYS 10 -2.499 -1.039 -0.085
47 HB3 CYS 10 HB3 CYS 10 -1.994 0.038 1.199
48 H ALA 11 H ALA 11 -1.528 -1.205 4.048
49 HA ALA 11 HA ALA 11 -4.251 -1.118 4.893
50 HB1 ALA 11 HB1 ALA 11 -3.260 0.056 6.868
51 HB2 ALA 11 HB2 ALA 11 -2.341 -1.404 6.487
52 HB3 ALA 11 HB3 ALA 11 -1.708 0.199 6.027
53 H VAL 12 H VAL 12 -5.478 0.766 5.087
54 HA VAL 12 HA VAL 12 -4.520 3.165 3.666
55 HB VAL 12 HB VAL 12 -6.423 3.358 2.431
56 HG11 VAL 12 HG11 VAL 12 -5.001 1.446 1.621
57 HG12 VAL 12 HG12 VAL 12 -6.095 0.330 2.444
58 HG13 VAL 12 HG13 VAL 12 -6.704 1.333 1.136
59 HG21 VAL 12 HG21 VAL 12 -7.835 1.314 4.140
60 HG22 VAL 12 HG22 VAL 12 -8.124 3.079 4.128
61 HG23 VAL 12 HG23 VAL 12 -8.497 2.141 2.710
62 HA PRO 13 HA PRO 13 -6.045 5.335 3.221
63 HB2 PRO 13 HB2 PRO 13 -5.247 7.799 4.037
64 HB3 PRO 13 HB3 PRO 13 -6.947 7.259 4.102
65 HG2 PRO 13 HG2 PRO 13 -4.936 7.252 6.369
66 HG3 PRO 13 HG3 PRO 13 -6.627 7.850 6.383
67 HD2 PRO 13 HD2 PRO 13 -5.993 5.372 7.297
68 HD3 PRO 13 HD3 PRO 13 -7.494 5.642 6.375
69 H CYS 14 H CYS 14 -4.201 5.515 1.905
70 HA CYS 14 HA CYS 14 -1.822 4.358 2.999
71 HB2 CYS 14 HB2 CYS 14 -2.538 5.518 0.289
72 HB3 CYS 14 HB3 CYS 14 -0.861 5.134 0.717
73 HA PRO 15 HA PRO 15 0.162 7.984 4.532
74 HB2 PRO 15 HB2 PRO 15 2.780 7.174 4.689
75 HB3 PRO 15 HB3 PRO 15 1.491 6.564 5.773
76 HG2 PRO 15 HG2 PRO 15 2.566 5.274 3.256
77 HG3 PRO 15 HG3 PRO 15 2.305 4.517 4.863
78 HD2 PRO 15 HD2 PRO 15 0.489 4.279 2.864
79 HD3 PRO 15 HD3 PRO 15 -0.020 4.477 4.566
80 H GLY 16 H GLY 16 1.157 6.602 1.461
81 HA2 GLY 16 HA2 GLY 16 1.269 8.032 -0.449
82 HA3 GLY 16 HA3 GLY 16 1.996 9.310 0.521
83 H GLY 17 H GLY 17 3.927 7.438 1.833
84 HA2 GLY 17 HA2 GLY 17 5.524 6.325 -0.394
85 HA3 GLY 17 HA3 GLY 17 6.193 7.713 0.470
86 H THR 18 H THR 18 6.748 7.505 2.732
87 HA THR 18 HA THR 18 7.992 5.189 3.509
88 HB THR 18 HB THR 18 6.787 7.174 5.433
89 HG1 THR 18 HG1 THR 18 9.067 7.771 3.867
90 HG21 THR 18 HG21 THR 18 8.969 7.002 6.538
91 HG22 THR 18 HG22 THR 18 9.580 5.949 5.244
92 HG23 THR 18 HG23 THR 18 8.283 5.394 6.324
93 H GLY 19 H GLY 19 7.360 3.368 4.769
94 HA2 GLY 19 HA2 GLY 19 6.001 1.905 5.886
95 HA3 GLY 19 HA3 GLY 19 4.879 3.224 6.202
96 H CYS 20 H CYS 20 4.902 3.472 2.947
97 HA CYS 20 HA CYS 20 2.462 1.994 2.683
98 HB2 CYS 20 HB2 CYS 20 3.094 4.113 1.402
99 HB3 CYS 20 HB3 CYS 20 4.216 3.117 0.483
100 H ARG 21 H ARG 21 2.349 -0.141 2.486
101 HA ARG 21 HA ARG 21 4.407 -2.013 2.199
102 HB2 ARG 21 HB2 ARG 21 1.437 -2.594 2.205
103 HB3 ARG 21 HB3 ARG 21 2.769 -3.590 2.783
104 HG2 ARG 21 HG2 ARG 21 1.816 -0.970 3.953
105 HG3 ARG 21 HG3 ARG 21 1.314 -2.553 4.541
106 HD2 ARG 21 HD2 ARG 21 4.154 -1.408 4.651
107 HD3 ARG 21 HD3 ARG 21 2.995 -1.480 5.984
108 HE ARG 21 HE ARG 21 3.383 -4.096 4.939
109 HH11 ARG 21 HH11 ARG 21 4.880 -1.678 7.112
110 HH12 ARG 21 HH12 ARG 21 5.978 -2.815 7.812
111 HH21 ARG 21 HH21 ARG 21 4.841 -5.599 5.917
112 HH22 ARG 21 HH22 ARG 21 5.897 -5.103 7.173
113 H CYS 22 H CYS 22 4.666 -0.862 0.288
114 HA CYS 22 HA CYS 22 3.829 -2.551 -1.980
115 HB2 CYS 22 HB2 CYS 22 2.555 -0.123 -1.606
116 HB3 CYS 22 HB3 CYS 22 3.630 0.213 -2.945
117 H THR 23 H THR 23 5.580 0.572 -1.519
118 HA THR 23 HA THR 23 7.299 0.289 -3.745
119 HB THR 23 HB THR 23 6.929 2.442 -3.129
120 HG1 THR 23 HG1 THR 23 9.117 2.342 -3.401
121 HG21 THR 23 HG21 THR 23 7.177 3.423 -0.885
122 HG22 THR 23 HG22 THR 23 7.453 1.806 -0.202
123 HG23 THR 23 HG23 THR 23 5.893 2.239 -0.952
124 H SER 24 H SER 24 8.105 -0.151 -0.187
125 HA SER 24 HA SER 24 10.587 -1.313 -0.773
126 HB2 SER 24 HB2 SER 24 8.769 -1.817 1.620
127 HB3 SER 24 HB3 SER 24 10.544 -1.976 1.555
128 HG SER 24 HG SER 24 10.702 0.211 1.181
129 H ALA 25 H ALA 25 11.246 -3.366 -1.154
130 HA ALA 25 HA ALA 25 9.365 -5.166 -2.370
131 HB1 ALA 25 HB1 ALA 25 11.738 -4.817 -3.105
132 HB2 ALA 25 HB2 ALA 25 12.285 -5.667 -1.641
133 HB3 ALA 25 HB3 ALA 25 11.313 -6.513 -2.866
134 H ARG 26 H ARG 26 9.882 -7.673 -1.773
135 HA ARG 26 HA ARG 26 8.764 -8.037 0.955
136 HB2 ARG 26 HB2 ARG 26 9.069 -9.913 -1.430
137 HB3 ARG 26 HB3 ARG 26 8.335 -10.359 0.116
138 HG2 ARG 26 HG2 ARG 26 6.642 -8.642 -0.124
139 HG3 ARG 26 HG3 ARG 26 7.348 -8.056 -1.623
140 HD2 ARG 26 HD2 ARG 26 6.921 -10.379 -2.593
141 HD3 ARG 26 HD3 ARG 26 5.915 -10.675 -1.162
142 HE ARG 26 HE ARG 26 4.679 -8.583 -1.778
143 HH11 ARG 26 HH11 ARG 26 6.100 -10.586 -4.388
144 HH12 ARG 26 HH12 ARG 26 5.334 -9.706 -5.641
145 HH21 ARG 26 HH21 ARG 26 3.708 -7.401 -3.480
146 HH22 ARG 26 HH22 ARG 26 4.057 -7.795 -5.134
Start of MODEL 36
1 H1 GLY 1 H GLY 1 -3.280 6.201 -12.811
2 HA2 GLY 1 HA2 GLY 1 -4.858 4.847 -11.549
3 HA3 GLY 1 HA3 GLY 1 -4.103 3.417 -12.242
4 H SER 2 H SER 2 -3.160 6.335 -10.302
5 HA SER 2 HA SER 2 -1.236 4.628 -8.828
6 HB2 SER 2 HB2 SER 2 -1.340 7.634 -9.177
7 HB3 SER 2 HB3 SER 2 -0.191 6.750 -8.143
8 HG SER 2 HG SER 2 0.804 6.890 -10.160
9 H GLY 3 H GLY 3 -4.372 5.122 -8.558
10 HA2 GLY 3 HA2 GLY 3 -4.713 6.059 -5.850
11 HA3 GLY 3 HA3 GLY 3 -5.868 5.197 -6.876
12 H CYS 4 H CYS 4 -5.561 4.427 -4.098
13 HA CYS 4 HA CYS 4 -4.549 1.675 -4.490
14 HB2 CYS 4 HB2 CYS 4 -3.226 3.721 -2.925
15 HB3 CYS 4 HB3 CYS 4 -3.959 2.603 -1.798
16 H ASP 5 H ASP 5 -5.542 0.028 -3.045
17 HA ASP 5 HA ASP 5 -7.682 1.087 -1.339
18 HB2 ASP 5 HB2 ASP 5 -7.859 -1.297 -3.223
19 HB3 ASP 5 HB3 ASP 5 -9.161 -0.562 -2.280
20 H ASP 6 H ASP 6 -8.491 -1.020 -0.262
21 HA ASP 6 HA ASP 6 -6.464 -2.211 1.412
22 HB2 ASP 6 HB2 ASP 6 -8.453 -3.052 2.568
23 HB3 ASP 6 HB3 ASP 6 -8.624 -1.330 2.242
24 H LYS 7 H LYS 7 -8.186 -2.898 -1.320
25 HA LYS 7 HA LYS 7 -8.426 -5.813 -1.216
26 HB2 LYS 7 HB2 LYS 7 -8.788 -3.772 -3.453
27 HB3 LYS 7 HB3 LYS 7 -8.971 -5.515 -3.710
28 HG2 LYS 7 HG2 LYS 7 -10.741 -5.704 -2.143
29 HG3 LYS 7 HG3 LYS 7 -10.527 -4.072 -1.521
30 HD2 LYS 7 HD2 LYS 7 -11.212 -4.627 -4.422
31 HD3 LYS 7 HD3 LYS 7 -12.455 -4.512 -3.177
32 HE2 LYS 7 HE2 LYS 7 -10.487 -2.297 -3.871
33 HE3 LYS 7 HE3 LYS 7 -12.143 -2.413 -4.455
34 HZ1 LYS 7 HZ1 LYS 7 -12.083 -0.954 -2.653
35 HZ2 LYS 7 HZ2 LYS 7 -11.361 -2.029 -1.625
36 HZ3 LYS 7 HZ3 LYS 7 -12.897 -2.280 -2.142
37 H CYS 8 H CYS 8 -6.266 -3.524 -2.684
38 HA CYS 8 HA CYS 8 -4.664 -5.372 -4.153
39 HB2 CYS 8 HB2 CYS 8 -3.339 -3.626 -4.661
40 HB3 CYS 8 HB3 CYS 8 -4.906 -2.859 -4.438
41 H GLY 9 H GLY 9 -4.938 -5.343 -0.814
42 HA2 GLY 9 HA2 GLY 9 -3.656 -6.463 0.726
43 HA3 GLY 9 HA3 GLY 9 -2.322 -6.565 -0.425
44 H CYS 10 H CYS 10 -4.029 -3.489 0.623
45 HA CYS 10 HA CYS 10 -1.483 -2.749 2.053
46 HB2 CYS 10 HB2 CYS 10 -3.198 -1.080 0.197
47 HB3 CYS 10 HB3 CYS 10 -2.275 -0.436 1.536
48 H ALA 11 H ALA 11 -1.978 -2.206 4.113
49 HA ALA 11 HA ALA 11 -4.600 -2.166 5.155
50 HB1 ALA 11 HB1 ALA 11 -3.479 -1.244 7.184
51 HB2 ALA 11 HB2 ALA 11 -2.614 -2.652 6.539
52 HB3 ALA 11 HB3 ALA 11 -1.987 -1.004 6.267
53 H VAL 12 H VAL 12 -6.061 -0.547 5.162
54 HA VAL 12 HA VAL 12 -5.212 2.117 4.167
55 HB VAL 12 HB VAL 12 -7.491 2.566 3.508
56 HG11 VAL 12 HG11 VAL 12 -5.845 1.682 1.910
57 HG12 VAL 12 HG12 VAL 12 -6.385 0.028 2.276
58 HG13 VAL 12 HG13 VAL 12 -7.496 1.188 1.514
59 HG21 VAL 12 HG21 VAL 12 -9.161 0.761 3.311
60 HG22 VAL 12 HG22 VAL 12 -8.095 -0.327 4.236
61 HG23 VAL 12 HG23 VAL 12 -8.791 1.128 4.986
62 HA PRO 13 HA PRO 13 -6.326 4.401 4.232
63 HB2 PRO 13 HB2 PRO 13 -5.242 6.577 5.490
64 HB3 PRO 13 HB3 PRO 13 -6.988 6.202 5.507
65 HG2 PRO 13 HG2 PRO 13 -4.926 5.548 7.629
66 HG3 PRO 13 HG3 PRO 13 -6.531 6.317 7.844
67 HD2 PRO 13 HD2 PRO 13 -6.173 3.656 8.255
68 HD3 PRO 13 HD3 PRO 13 -7.664 4.270 7.481
69 H CYS 14 H CYS 14 -4.517 4.502 2.895
70 HA CYS 14 HA CYS 14 -2.148 3.077 3.785
71 HB2 CYS 14 HB2 CYS 14 -2.874 4.574 1.239
72 HB3 CYS 14 HB3 CYS 14 -1.222 4.103 1.556
73 HA PRO 15 HA PRO 15 -0.106 6.617 5.549
74 HB2 PRO 15 HB2 PRO 15 2.552 6.017 5.311
75 HB3 PRO 15 HB3 PRO 15 1.442 5.145 6.412
76 HG2 PRO 15 HG2 PRO 15 2.219 4.367 3.578
77 HG3 PRO 15 HG3 PRO 15 2.320 3.356 5.051
78 HD2 PRO 15 HD2 PRO 15 0.196 3.132 3.446
79 HD3 PRO 15 HD3 PRO 15 -0.052 3.194 5.218
80 H GLY 16 H GLY 16 0.165 5.909 2.190
81 HA2 GLY 16 HA2 GLY 16 0.759 7.149 0.324
82 HA3 GLY 16 HA3 GLY 16 0.312 8.552 1.310
83 H GLY 17 H GLY 17 3.023 6.146 1.559
84 HA2 GLY 17 HA2 GLY 17 5.041 7.866 0.751
85 HA3 GLY 17 HA3 GLY 17 4.903 7.955 2.525
86 H THR 18 H THR 18 7.018 6.974 2.620
87 HA THR 18 HA THR 18 7.892 4.607 1.524
88 HB THR 18 HB THR 18 8.651 5.627 4.282
89 HG1 THR 18 HG1 THR 18 8.728 7.434 3.078
90 HG21 THR 18 HG21 THR 18 9.849 3.568 3.474
91 HG22 THR 18 HG22 THR 18 10.927 4.963 3.582
92 HG23 THR 18 HG23 THR 18 10.314 4.437 2.001
93 H GLY 19 H GLY 19 5.633 4.869 4.269
94 HA2 GLY 19 HA2 GLY 19 5.981 2.073 5.012
95 HA3 GLY 19 HA3 GLY 19 4.686 3.156 5.535
96 H CYS 20 H CYS 20 4.634 3.449 2.219
97 HA CYS 20 HA CYS 20 2.302 1.854 2.038
98 HB2 CYS 20 HB2 CYS 20 2.696 4.040 0.768
99 HB3 CYS 20 HB3 CYS 20 3.796 3.138 -0.258
100 H ARG 21 H ARG 21 2.168 -0.323 1.535
101 HA ARG 21 HA ARG 21 4.430 -1.883 1.491
102 HB2 ARG 21 HB2 ARG 21 1.605 -2.492 0.517
103 HB3 ARG 21 HB3 ARG 21 2.806 -3.688 0.931
104 HG2 ARG 21 HG2 ARG 21 1.693 -1.627 2.904
105 HG3 ARG 21 HG3 ARG 21 1.046 -3.231 2.705
106 HD2 ARG 21 HD2 ARG 21 3.027 -4.280 3.580
107 HD3 ARG 21 HD3 ARG 21 3.974 -2.802 3.399
108 HE ARG 21 HE ARG 21 3.216 -2.002 5.370
109 HH11 ARG 21 HH11 ARG 21 1.140 -4.814 4.584
110 HH12 ARG 21 HH12 ARG 21 0.468 -4.902 6.162
111 HH21 ARG 21 HH21 ARG 21 2.174 -1.953 7.293
112 HH22 ARG 21 HH22 ARG 21 1.034 -3.168 7.774
113 H CYS 22 H CYS 22 2.591 -0.714 -1.275
114 HA CYS 22 HA CYS 22 3.768 -2.511 -3.001
115 HB2 CYS 22 HB2 CYS 22 2.652 0.176 -3.816
116 HB3 CYS 22 HB3 CYS 22 2.874 -1.239 -4.850
117 H THR 23 H THR 23 4.550 1.008 -2.764
118 HA THR 23 HA THR 23 6.889 0.838 -4.400
119 HB THR 23 HB THR 23 6.797 3.334 -3.671
120 HG1 THR 23 HG1 THR 23 5.533 3.529 -2.024
121 HG21 THR 23 HG21 THR 23 4.901 3.803 -5.158
122 HG22 THR 23 HG22 THR 23 4.355 2.121 -5.055
123 HG23 THR 23 HG23 THR 23 5.903 2.511 -5.834
124 H SER 24 H SER 24 7.881 -0.852 -3.099
125 HA SER 24 HA SER 24 9.618 0.179 -0.972
126 HB2 SER 24 HB2 SER 24 7.307 -1.123 -0.309
127 HB3 SER 24 HB3 SER 24 8.330 -2.530 -0.616
128 HG SER 24 HG SER 24 9.571 -1.993 1.080
129 H ALA 25 H ALA 25 11.222 -1.889 -0.548
130 HA ALA 25 HA ALA 25 11.791 -3.376 -3.038
131 HB1 ALA 25 HB1 ALA 25 13.180 -1.355 -3.222
132 HB2 ALA 25 HB2 ALA 25 13.798 -1.598 -1.588
133 HB3 ALA 25 HB3 ALA 25 14.186 -2.770 -2.863
134 H ARG 26 H ARG 26 11.115 -5.223 -2.036
135 HA ARG 26 HA ARG 26 12.029 -5.980 0.652
136 HB2 ARG 26 HB2 ARG 26 9.776 -6.567 -0.206
137 HB3 ARG 26 HB3 ARG 26 10.495 -7.539 -1.490
138 HG2 ARG 26 HG2 ARG 26 11.501 -9.053 0.209
139 HG3 ARG 26 HG3 ARG 26 10.794 -8.083 1.499
140 HD2 ARG 26 HD2 ARG 26 9.369 -9.740 -0.607
141 HD3 ARG 26 HD3 ARG 26 9.432 -10.059 1.118
142 HE ARG 26 HE ARG 26 7.626 -8.337 -0.319
143 HH11 ARG 26 HH11 ARG 26 8.917 -8.991 2.929
144 HH12 ARG 26 HH12 ARG 26 8.080 -7.702 3.692
145 HH21 ARG 26 HH21 ARG 26 6.317 -6.695 0.753
146 HH22 ARG 26 HH22 ARG 26 6.405 -6.570 2.480
Start of MODEL 37
1 H1 GLY 1 H GLY 1 -1.248 -0.439 -8.712
2 HA2 GLY 1 HA2 GLY 1 -1.298 1.703 -10.756
3 HA3 GLY 1 HA3 GLY 1 -2.197 0.181 -10.856
4 H SER 2 H SER 2 -3.563 2.518 -11.153
5 HA SER 2 HA SER 2 -4.875 4.152 -10.223
6 HB2 SER 2 HB2 SER 2 -6.143 2.204 -11.190
7 HB3 SER 2 HB3 SER 2 -6.422 1.637 -9.527
8 HG SER 2 HG SER 2 -8.147 2.970 -10.069
9 H GLY 3 H GLY 3 -3.434 4.867 -8.490
10 HA2 GLY 3 HA2 GLY 3 -2.968 5.455 -6.325
11 HA3 GLY 3 HA3 GLY 3 -4.735 5.436 -6.135
12 H CYS 4 H CYS 4 -5.406 4.167 -4.438
13 HA CYS 4 HA CYS 4 -4.526 1.470 -4.033
14 HB2 CYS 4 HB2 CYS 4 -3.477 3.782 -2.435
15 HB3 CYS 4 HB3 CYS 4 -3.955 2.383 -1.519
16 H ASP 5 H ASP 5 -5.817 0.475 -2.532
17 HA ASP 5 HA ASP 5 -7.612 1.942 -0.741
18 HB2 ASP 5 HB2 ASP 5 -8.623 -0.357 -2.440
19 HB3 ASP 5 HB3 ASP 5 -9.545 0.810 -1.508
20 H ASP 6 H ASP 6 -8.798 -0.019 0.352
21 HA ASP 6 HA ASP 6 -7.000 -1.662 1.843
22 HB2 ASP 6 HB2 ASP 6 -9.160 -2.416 2.825
23 HB3 ASP 6 HB3 ASP 6 -9.040 -0.647 2.751
24 H LYS 7 H LYS 7 -8.289 -2.019 -1.214
25 HA LYS 7 HA LYS 7 -8.757 -4.946 -1.095
26 HB2 LYS 7 HB2 LYS 7 -9.816 -4.808 -3.167
27 HB3 LYS 7 HB3 LYS 7 -10.310 -3.340 -2.325
28 HG2 LYS 7 HG2 LYS 7 -8.458 -2.138 -3.643
29 HG3 LYS 7 HG3 LYS 7 -8.317 -3.598 -4.619
30 HD2 LYS 7 HD2 LYS 7 -10.893 -2.012 -4.240
31 HD3 LYS 7 HD3 LYS 7 -9.789 -1.784 -5.592
32 HE2 LYS 7 HE2 LYS 7 -10.852 -4.554 -5.047
33 HE3 LYS 7 HE3 LYS 7 -11.934 -3.368 -5.772
34 HZ1 LYS 7 HZ1 LYS 7 -10.479 -4.872 -7.253
35 HZ2 LYS 7 HZ2 LYS 7 -9.331 -3.711 -7.046
36 HZ3 LYS 7 HZ3 LYS 7 -10.829 -3.352 -7.674
37 H CYS 8 H CYS 8 -6.322 -2.670 -2.184
38 HA CYS 8 HA CYS 8 -5.033 -4.690 -3.875
39 HB2 CYS 8 HB2 CYS 8 -3.519 -3.067 -4.446
40 HB3 CYS 8 HB3 CYS 8 -5.057 -2.253 -4.381
41 H GLY 9 H GLY 9 -5.212 -4.555 -0.557
42 HA2 GLY 9 HA2 GLY 9 -3.937 -5.837 0.909
43 HA3 GLY 9 HA3 GLY 9 -2.635 -5.939 -0.273
44 H CYS 10 H CYS 10 -4.251 -2.865 0.868
45 HA CYS 10 HA CYS 10 -1.717 -2.186 2.295
46 HB2 CYS 10 HB2 CYS 10 -3.397 -0.435 0.437
47 HB3 CYS 10 HB3 CYS 10 -2.442 0.162 1.771
48 H ALA 11 H ALA 11 -2.234 -1.551 4.391
49 HA ALA 11 HA ALA 11 -4.994 -1.552 5.168
50 HB1 ALA 11 HB1 ALA 11 -3.128 -2.207 6.710
51 HB2 ALA 11 HB2 ALA 11 -2.522 -0.532 6.652
52 HB3 ALA 11 HB3 ALA 11 -4.115 -0.889 7.351
53 H VAL 12 H VAL 12 -6.050 0.366 5.916
54 HA VAL 12 HA VAL 12 -5.123 2.871 4.665
55 HB VAL 12 HB VAL 12 -7.485 3.402 4.115
56 HG11 VAL 12 HG11 VAL 12 -5.870 2.554 2.420
57 HG12 VAL 12 HG12 VAL 12 -6.405 0.890 2.752
58 HG13 VAL 12 HG13 VAL 12 -7.536 2.075 2.074
59 HG21 VAL 12 HG21 VAL 12 -8.609 1.780 5.633
60 HG22 VAL 12 HG22 VAL 12 -9.137 1.622 3.952
61 HG23 VAL 12 HG23 VAL 12 -7.996 0.444 4.637
62 HA PRO 13 HA PRO 13 -6.252 5.201 4.765
63 HB2 PRO 13 HB2 PRO 13 -5.042 7.366 5.923
64 HB3 PRO 13 HB3 PRO 13 -6.799 7.030 6.028
65 HG2 PRO 13 HG2 PRO 13 -4.662 6.451 8.083
66 HG3 PRO 13 HG3 PRO 13 -6.310 7.138 8.321
67 HD2 PRO 13 HD2 PRO 13 -5.715 4.487 8.747
68 HD3 PRO 13 HD3 PRO 13 -7.309 5.035 8.156
69 H CYS 14 H CYS 14 -4.533 5.124 3.264
70 HA CYS 14 HA CYS 14 -2.230 3.654 4.063
71 HB2 CYS 14 HB2 CYS 14 -3.372 4.256 1.635
72 HB3 CYS 14 HB3 CYS 14 -1.939 5.260 1.595
73 HA PRO 15 HA PRO 15 0.117 7.065 5.710
74 HB2 PRO 15 HB2 PRO 15 2.676 6.029 5.751
75 HB3 PRO 15 HB3 PRO 15 1.388 5.561 6.894
76 HG2 PRO 15 HG2 PRO 15 2.252 4.124 4.376
77 HG3 PRO 15 HG3 PRO 15 1.931 3.432 5.996
78 HD2 PRO 15 HD2 PRO 15 0.068 3.362 4.019
79 HD3 PRO 15 HD3 PRO 15 -0.422 3.636 5.709
80 H GLY 16 H GLY 16 1.047 5.611 2.607
81 HA2 GLY 16 HA2 GLY 16 1.636 6.715 0.631
82 HA3 GLY 16 HA3 GLY 16 1.544 8.248 1.478
83 H GLY 17 H GLY 17 3.664 5.816 0.230
84 HA2 GLY 17 HA2 GLY 17 5.879 6.743 -0.151
85 HA3 GLY 17 HA3 GLY 17 6.027 7.038 1.588
86 H THR 18 H THR 18 8.007 5.720 1.450
87 HA THR 18 HA THR 18 8.048 3.105 0.467
88 HB THR 18 HB THR 18 9.874 4.394 2.522
89 HG1 THR 18 HG1 THR 18 10.870 5.260 0.671
90 HG21 THR 18 HG21 THR 18 11.609 3.042 1.329
91 HG22 THR 18 HG22 THR 18 10.333 2.293 0.347
92 HG23 THR 18 HG23 THR 18 10.399 2.018 2.107
93 H GLY 19 H GLY 19 6.615 4.248 3.432
94 HA2 GLY 19 HA2 GLY 19 6.712 1.706 4.839
95 HA3 GLY 19 HA3 GLY 19 5.693 3.107 5.222
96 H CYS 20 H CYS 20 5.147 2.659 2.020
97 HA CYS 20 HA CYS 20 2.538 1.486 2.351
98 HB2 CYS 20 HB2 CYS 20 3.160 3.270 0.645
99 HB3 CYS 20 HB3 CYS 20 4.226 2.083 -0.085
100 H ARG 21 H ARG 21 1.990 -0.807 1.838
101 HA ARG 21 HA ARG 21 4.143 -2.635 1.906
102 HB2 ARG 21 HB2 ARG 21 1.355 -3.357 0.949
103 HB3 ARG 21 HB3 ARG 21 2.525 -4.321 1.844
104 HG2 ARG 21 HG2 ARG 21 2.130 -2.355 3.690
105 HG3 ARG 21 HG3 ARG 21 0.615 -2.204 2.808
106 HD2 ARG 21 HD2 ARG 21 0.259 -3.666 4.662
107 HD3 ARG 21 HD3 ARG 21 0.208 -4.657 3.190
108 HE ARG 21 HE ARG 21 2.806 -4.409 4.571
109 HH11 ARG 21 HH11 ARG 21 -0.198 -6.258 4.625
110 HH12 ARG 21 HH12 ARG 21 0.574 -7.822 4.764
111 HH21 ARG 21 HH21 ARG 21 3.830 -6.423 5.005
112 HH22 ARG 21 HH22 ARG 21 2.855 -7.829 5.387
113 H CYS 22 H CYS 22 3.022 -0.907 -0.690
114 HA CYS 22 HA CYS 22 3.485 -2.888 -2.771
115 HB2 CYS 22 HB2 CYS 22 2.766 0.066 -2.898
116 HB3 CYS 22 HB3 CYS 22 2.896 -0.974 -4.299
117 H THR 23 H THR 23 4.548 0.494 -2.694
118 HA THR 23 HA THR 23 6.971 0.085 -4.056
119 HB THR 23 HB THR 23 5.403 1.908 -4.348
120 HG1 THR 23 HG1 THR 23 7.993 2.695 -3.582
121 HG21 THR 23 HG21 THR 23 6.207 2.892 -1.599
122 HG22 THR 23 HG22 THR 23 4.581 2.457 -2.193
123 HG23 THR 23 HG23 THR 23 5.408 3.875 -2.836
124 H SER 24 H SER 24 6.949 -1.404 -1.536
125 HA SER 24 HA SER 24 8.549 -0.086 0.454
126 HB2 SER 24 HB2 SER 24 8.189 -3.007 -0.365
127 HB3 SER 24 HB3 SER 24 8.910 -2.464 1.162
128 HG SER 24 HG SER 24 6.609 -1.271 1.102
129 H ALA 25 H ALA 25 10.809 0.201 0.379
130 HA ALA 25 HA ALA 25 12.169 -0.342 -2.167
131 HB1 ALA 25 HB1 ALA 25 14.054 0.836 -1.071
132 HB2 ALA 25 HB2 ALA 25 12.555 1.778 -1.014
133 HB3 ALA 25 HB3 ALA 25 13.129 0.921 0.438
134 H ARG 26 H ARG 26 11.898 -2.684 -2.087
135 HA ARG 26 HA ARG 26 14.000 -4.041 -0.530
136 HB2 ARG 26 HB2 ARG 26 12.511 -5.851 0.064
137 HB3 ARG 26 HB3 ARG 26 11.929 -4.337 0.757
138 HG2 ARG 26 HG2 ARG 26 10.255 -4.197 -1.152
139 HG3 ARG 26 HG3 ARG 26 10.811 -5.812 -1.659
140 HD2 ARG 26 HD2 ARG 26 10.244 -6.634 0.625
141 HD3 ARG 26 HD3 ARG 26 9.506 -5.065 0.980
142 HE ARG 26 HE ARG 26 8.092 -5.521 -1.112
143 HH11 ARG 26 HH11 ARG 26 9.191 -8.166 1.026
144 HH12 ARG 26 HH12 ARG 26 8.035 -9.309 0.454
145 HH21 ARG 26 HH21 ARG 26 6.521 -7.020 -1.858
146 HH22 ARG 26 HH22 ARG 26 6.605 -8.659 -1.386
Start of MODEL 38
1 H1 GLY 1 H GLY 1 -8.352 4.685 -8.962
2 HA2 GLY 1 HA2 GLY 1 -6.905 4.736 -6.367
3 HA3 GLY 1 HA3 GLY 1 -7.597 3.266 -7.077
4 H SER 2 H SER 2 -4.724 4.947 -6.752
5 HA SER 2 HA SER 2 -3.534 3.516 -9.026
6 HB2 SER 2 HB2 SER 2 -2.222 5.581 -9.595
7 HB3 SER 2 HB3 SER 2 -3.921 5.596 -10.078
8 HG SER 2 HG SER 2 -2.947 7.515 -8.982
9 H GLY 3 H GLY 3 -1.601 2.684 -8.463
10 HA2 GLY 3 HA2 GLY 3 0.370 2.391 -7.272
11 HA3 GLY 3 HA3 GLY 3 -0.094 3.650 -6.132
12 H CYS 4 H CYS 4 -2.527 2.805 -5.116
13 HA CYS 4 HA CYS 4 -2.458 -0.004 -4.422
14 HB2 CYS 4 HB2 CYS 4 -1.204 2.063 -2.704
15 HB3 CYS 4 HB3 CYS 4 -2.540 1.283 -1.911
16 H ASP 5 H ASP 5 -4.270 -0.599 -2.946
17 HA ASP 5 HA ASP 5 -6.343 1.430 -2.530
18 HB2 ASP 5 HB2 ASP 5 -7.003 -1.293 -3.688
19 HB3 ASP 5 HB3 ASP 5 -8.018 0.137 -3.597
20 H ASP 6 H ASP 6 -8.170 -0.012 -1.453
21 HA ASP 6 HA ASP 6 -7.255 -1.186 1.035
22 HB2 ASP 6 HB2 ASP 6 -9.787 -1.381 1.326
23 HB3 ASP 6 HB3 ASP 6 -9.220 0.247 1.019
24 H LYS 7 H LYS 7 -7.863 -2.252 -2.051
25 HA LYS 7 HA LYS 7 -9.151 -4.811 -1.545
26 HB2 LYS 7 HB2 LYS 7 -8.083 -3.668 -4.170
27 HB3 LYS 7 HB3 LYS 7 -9.139 -5.075 -3.970
28 HG2 LYS 7 HG2 LYS 7 -10.781 -3.590 -2.801
29 HG3 LYS 7 HG3 LYS 7 -9.770 -2.196 -3.199
30 HD2 LYS 7 HD2 LYS 7 -10.306 -2.315 -5.493
31 HD3 LYS 7 HD3 LYS 7 -10.989 -3.944 -5.342
32 HE2 LYS 7 HE2 LYS 7 -12.710 -2.082 -5.495
33 HE3 LYS 7 HE3 LYS 7 -12.892 -3.194 -4.148
34 HZ1 LYS 7 HZ1 LYS 7 -13.222 -0.919 -3.454
35 HZ2 LYS 7 HZ2 LYS 7 -11.748 -0.464 -3.930
36 HZ3 LYS 7 HZ3 LYS 7 -11.904 -1.513 -2.675
37 H CYS 8 H CYS 8 -6.014 -3.731 -2.767
38 HA CYS 8 HA CYS 8 -4.750 -6.158 -3.031
39 HB2 CYS 8 HB2 CYS 8 -2.738 -4.986 -3.156
40 HB3 CYS 8 HB3 CYS 8 -3.975 -3.885 -3.760
41 H GLY 9 H GLY 9 -5.925 -5.236 -0.015
42 HA2 GLY 9 HA2 GLY 9 -5.495 -6.429 1.969
43 HA3 GLY 9 HA3 GLY 9 -3.956 -6.977 1.333
44 H CYS 10 H CYS 10 -4.920 -3.490 1.298
45 HA CYS 10 HA CYS 10 -2.869 -3.028 3.463
46 HB2 CYS 10 HB2 CYS 10 -3.347 -1.534 0.841
47 HB3 CYS 10 HB3 CYS 10 -2.721 -0.761 2.254
48 H ALA 11 H ALA 11 -3.304 -1.122 4.691
49 HA ALA 11 HA ALA 11 -6.127 -0.429 4.886
50 HB1 ALA 11 HB1 ALA 11 -4.636 -0.600 6.922
51 HB2 ALA 11 HB2 ALA 11 -3.673 0.748 6.281
52 HB3 ALA 11 HB3 ALA 11 -5.370 0.988 6.726
53 H VAL 12 H VAL 12 -6.683 1.881 4.668
54 HA VAL 12 HA VAL 12 -4.928 3.532 3.053
55 HB VAL 12 HB VAL 12 -6.813 4.106 1.557
56 HG11 VAL 12 HG11 VAL 12 -4.917 2.703 0.819
57 HG12 VAL 12 HG12 VAL 12 -5.844 1.232 1.243
58 HG13 VAL 12 HG13 VAL 12 -6.417 2.324 -0.032
59 HG21 VAL 12 HG21 VAL 12 -8.005 1.454 2.490
60 HG22 VAL 12 HG22 VAL 12 -8.706 3.054 2.797
61 HG23 VAL 12 HG23 VAL 12 -8.592 2.451 1.143
62 HA PRO 13 HA PRO 13 -5.313 5.899 2.293
63 HB2 PRO 13 HB2 PRO 13 -4.137 8.089 3.454
64 HB3 PRO 13 HB3 PRO 13 -5.776 8.061 2.735
65 HG2 PRO 13 HG2 PRO 13 -4.998 7.840 5.639
66 HG3 PRO 13 HG3 PRO 13 -6.335 8.791 4.914
67 HD2 PRO 13 HD2 PRO 13 -6.771 6.348 6.066
68 HD3 PRO 13 HD3 PRO 13 -7.681 6.910 4.637
69 H CYS 14 H CYS 14 -3.377 5.255 1.777
70 HA CYS 14 HA CYS 14 -1.785 3.676 3.617
71 HB2 CYS 14 HB2 CYS 14 -2.374 3.292 1.138
72 HB3 CYS 14 HB3 CYS 14 -1.137 4.469 0.741
73 HA PRO 15 HA PRO 15 0.934 7.090 4.612
74 HB2 PRO 15 HB2 PRO 15 3.188 5.838 5.493
75 HB3 PRO 15 HB3 PRO 15 1.650 5.792 6.403
76 HG2 PRO 15 HG2 PRO 15 2.769 3.714 4.483
77 HG3 PRO 15 HG3 PRO 15 2.111 3.445 6.125
78 HD2 PRO 15 HD2 PRO 15 0.594 3.072 3.926
79 HD3 PRO 15 HD3 PRO 15 -0.100 3.766 5.408
80 H GLY 16 H GLY 16 1.976 4.666 2.274
81 HA2 GLY 16 HA2 GLY 16 3.201 4.854 0.334
82 HA3 GLY 16 HA3 GLY 16 3.129 6.616 0.526
83 H GLY 17 H GLY 17 5.000 3.644 1.421
84 HA2 GLY 17 HA2 GLY 17 7.450 4.452 1.100
85 HA3 GLY 17 HA3 GLY 17 7.108 5.273 2.648
86 H THR 18 H THR 18 8.838 3.963 3.583
87 HA THR 18 HA THR 18 9.109 1.278 3.590
88 HB THR 18 HB THR 18 9.592 3.243 5.861
89 HG1 THR 18 HG1 THR 18 11.745 3.107 4.720
90 HG21 THR 18 HG21 THR 18 11.140 0.694 5.256
91 HG22 THR 18 HG22 THR 18 9.919 0.833 6.546
92 HG23 THR 18 HG23 THR 18 11.374 1.826 6.601
93 H GLY 19 H GLY 19 6.856 3.152 5.635
94 HA2 GLY 19 HA2 GLY 19 5.994 0.944 7.228
95 HA3 GLY 19 HA3 GLY 19 5.169 2.487 7.037
96 H CYS 20 H CYS 20 5.409 1.284 3.905
97 HA CYS 20 HA CYS 20 2.612 0.622 3.775
98 HB2 CYS 20 HB2 CYS 20 3.945 1.736 1.937
99 HB3 CYS 20 HB3 CYS 20 4.805 0.227 1.741
100 H ARG 21 H ARG 21 1.611 -1.560 3.407
101 HA ARG 21 HA ARG 21 3.058 -3.710 4.587
102 HB2 ARG 21 HB2 ARG 21 0.527 -3.833 2.898
103 HB3 ARG 21 HB3 ARG 21 1.118 -5.083 3.982
104 HG2 ARG 21 HG2 ARG 21 0.696 -2.639 5.445
105 HG3 ARG 21 HG3 ARG 21 -0.730 -3.042 4.496
106 HD2 ARG 21 HD2 ARG 21 0.596 -5.066 6.332
107 HD3 ARG 21 HD3 ARG 21 -0.660 -3.953 6.880
108 HE ARG 21 HE ARG 21 -1.611 -5.348 4.556
109 HH11 ARG 21 HH11 ARG 21 -1.063 -5.872 8.109
110 HH12 ARG 21 HH12 ARG 21 -2.070 -7.258 8.110
111 HH21 ARG 21 HH21 ARG 21 -2.997 -7.188 4.714
112 HH22 ARG 21 HH22 ARG 21 -3.309 -7.854 6.258
113 H CYS 22 H CYS 22 3.281 -2.532 1.374
114 HA CYS 22 HA CYS 22 3.952 -5.257 0.449
115 HB2 CYS 22 HB2 CYS 22 3.328 -3.037 -1.475
116 HB3 CYS 22 HB3 CYS 22 3.323 -4.748 -1.727
117 H THR 23 H THR 23 5.316 -2.100 0.821
118 HA THR 23 HA THR 23 7.128 -1.029 0.268
119 HB THR 23 HB THR 23 9.228 -2.087 0.243
120 HG1 THR 23 HG1 THR 23 9.580 -4.137 -0.079
121 HG21 THR 23 HG21 THR 23 7.399 -3.620 2.121
122 HG22 THR 23 HG22 THR 23 7.924 -1.955 2.368
123 HG23 THR 23 HG23 THR 23 9.122 -3.272 2.345
124 H SER 24 H SER 24 5.946 -3.032 -2.266
125 HA SER 24 HA SER 24 7.441 -2.706 -4.436
126 HB2 SER 24 HB2 SER 24 5.062 -3.658 -4.145
127 HB3 SER 24 HB3 SER 24 4.470 -2.030 -4.518
128 HG SER 24 HG SER 24 4.932 -2.351 -6.574
129 H ALA 25 H ALA 25 7.920 -1.236 -6.025
130 HA ALA 25 HA ALA 25 8.543 0.682 -6.918
131 HB1 ALA 25 HB1 ALA 25 6.176 0.725 -7.545
132 HB2 ALA 25 HB2 ALA 25 5.810 1.701 -6.109
133 HB3 ALA 25 HB3 ALA 25 6.862 2.349 -7.381
134 H ARG 26 H ARG 26 9.450 0.264 -4.267
135 HA ARG 26 HA ARG 26 9.364 2.766 -2.754
136 HB2 ARG 26 HB2 ARG 26 11.333 1.761 -1.530
137 HB3 ARG 26 HB3 ARG 26 9.868 0.799 -1.446
138 HG2 ARG 26 HG2 ARG 26 10.771 -0.680 -3.267
139 HG3 ARG 26 HG3 ARG 26 12.276 0.253 -3.187
140 HD2 ARG 26 HD2 ARG 26 12.555 -0.428 -0.810
141 HD3 ARG 26 HD3 ARG 26 11.040 -1.333 -0.915
142 HE ARG 26 HE ARG 26 12.103 -3.037 -1.969
143 HH11 ARG 26 HH11 ARG 26 14.309 -0.204 -2.221
144 HH12 ARG 26 HH12 ARG 26 15.450 -1.078 -3.191
145 HH21 ARG 26 HH21 ARG 26 13.676 -4.144 -3.079
146 HH22 ARG 26 HH22 ARG 26 15.160 -3.409 -3.567
Start of MODEL 39
1 H1 GLY 1 H GLY 1 -4.870 9.227 -10.624
2 HA2 GLY 1 HA2 GLY 1 -7.190 10.327 -9.141
3 HA3 GLY 1 HA3 GLY 1 -7.298 9.017 -10.319
4 H SER 2 H SER 2 -7.675 7.114 -9.213
5 HA SER 2 HA SER 2 -7.039 6.671 -6.519
6 HB2 SER 2 HB2 SER 2 -7.299 4.182 -7.199
7 HB3 SER 2 HB3 SER 2 -8.674 5.278 -7.377
8 HG SER 2 HG SER 2 -7.288 3.882 -9.299
9 H GLY 3 H GLY 3 -5.452 5.506 -5.489
10 HA2 GLY 3 HA2 GLY 3 -2.870 5.029 -6.965
11 HA3 GLY 3 HA3 GLY 3 -2.945 5.938 -5.447
12 H CYS 4 H CYS 4 -4.604 4.614 -3.773
13 HA CYS 4 HA CYS 4 -3.957 1.796 -3.947
14 HB2 CYS 4 HB2 CYS 4 -2.818 3.602 -1.864
15 HB3 CYS 4 HB3 CYS 4 -3.453 2.034 -1.354
16 H ASP 5 H ASP 5 -5.249 0.409 -2.961
17 HA ASP 5 HA ASP 5 -7.508 1.471 -1.475
18 HB2 ASP 5 HB2 ASP 5 -8.349 -0.679 -3.134
19 HB3 ASP 5 HB3 ASP 5 -8.837 1.000 -3.230
20 H ASP 6 H ASP 6 -8.561 -0.358 -0.513
21 HA ASP 6 HA ASP 6 -6.610 -2.043 0.901
22 HB2 ASP 6 HB2 ASP 6 -8.700 -0.859 1.881
23 HB3 ASP 6 HB3 ASP 6 -9.601 -2.230 1.235
24 H LYS 7 H LYS 7 -8.166 -2.313 -1.898
25 HA LYS 7 HA LYS 7 -8.848 -5.212 -1.943
26 HB2 LYS 7 HB2 LYS 7 -8.920 -3.041 -4.099
27 HB3 LYS 7 HB3 LYS 7 -9.320 -4.744 -4.353
28 HG2 LYS 7 HG2 LYS 7 -11.074 -4.542 -2.540
29 HG3 LYS 7 HG3 LYS 7 -10.797 -2.785 -2.546
30 HD2 LYS 7 HD2 LYS 7 -11.423 -2.680 -4.923
31 HD3 LYS 7 HD3 LYS 7 -11.554 -4.443 -4.989
32 HE2 LYS 7 HE2 LYS 7 -13.308 -4.138 -3.055
33 HE3 LYS 7 HE3 LYS 7 -13.370 -2.455 -3.592
34 HZ1 LYS 7 HZ1 LYS 7 -13.979 -4.868 -5.167
35 HZ2 LYS 7 HZ2 LYS 7 -13.906 -3.352 -5.833
36 HZ3 LYS 7 HZ3 LYS 7 -15.040 -3.723 -4.671
37 H CYS 8 H CYS 8 -6.434 -2.935 -3.288
38 HA CYS 8 HA CYS 8 -5.008 -4.892 -4.711
39 HB2 CYS 8 HB2 CYS 8 -3.383 -3.362 -5.084
40 HB3 CYS 8 HB3 CYS 8 -4.876 -2.425 -5.011
41 H GLY 9 H GLY 9 -5.376 -4.877 -1.376
42 HA2 GLY 9 HA2 GLY 9 -4.361 -6.304 0.124
43 HA3 GLY 9 HA3 GLY 9 -2.981 -6.485 -0.958
44 H CYS 10 H CYS 10 -3.928 -3.209 -0.332
45 HA CYS 10 HA CYS 10 -1.521 -2.864 1.428
46 HB2 CYS 10 HB2 CYS 10 -2.942 -0.969 -0.457
47 HB3 CYS 10 HB3 CYS 10 -1.967 -0.448 0.908
48 H ALA 11 H ALA 11 -2.050 -2.219 3.497
49 HA ALA 11 HA ALA 11 -4.644 -1.848 4.393
50 HB1 ALA 11 HB1 ALA 11 -2.666 -2.386 5.846
51 HB2 ALA 11 HB2 ALA 11 -2.031 -0.742 5.557
52 HB3 ALA 11 HB3 ALA 11 -3.552 -0.970 6.443
53 H VAL 12 H VAL 12 -5.767 0.002 4.854
54 HA VAL 12 HA VAL 12 -4.803 2.534 3.674
55 HB VAL 12 HB VAL 12 -7.035 3.088 2.974
56 HG11 VAL 12 HG11 VAL 12 -5.417 2.041 1.407
57 HG12 VAL 12 HG12 VAL 12 -6.153 0.458 1.758
58 HG13 VAL 12 HG13 VAL 12 -7.111 1.732 0.986
59 HG21 VAL 12 HG21 VAL 12 -8.800 1.373 2.736
60 HG22 VAL 12 HG22 VAL 12 -7.843 0.276 3.757
61 HG23 VAL 12 HG23 VAL 12 -8.469 1.808 4.409
62 HA PRO 13 HA PRO 13 -5.730 4.817 3.679
63 HB2 PRO 13 HB2 PRO 13 -4.640 6.990 4.932
64 HB3 PRO 13 HB3 PRO 13 -6.401 6.673 4.892
65 HG2 PRO 13 HG2 PRO 13 -4.455 6.064 7.124
66 HG3 PRO 13 HG3 PRO 13 -6.076 6.816 7.237
67 HD2 PRO 13 HD2 PRO 13 -5.659 4.160 7.726
68 HD3 PRO 13 HD3 PRO 13 -7.159 4.759 6.965
69 H CYS 14 H CYS 14 -3.841 4.663 2.420
70 HA CYS 14 HA CYS 14 -1.543 3.313 3.533
71 HB2 CYS 14 HB2 CYS 14 -2.111 4.605 0.863
72 HB3 CYS 14 HB3 CYS 14 -0.454 4.341 1.321
73 HA PRO 15 HA PRO 15 0.586 6.739 5.302
74 HB2 PRO 15 HB2 PRO 15 3.244 6.122 4.983
75 HB3 PRO 15 HB3 PRO 15 2.154 5.334 6.154
76 HG2 PRO 15 HG2 PRO 15 3.043 4.332 3.453
77 HG3 PRO 15 HG3 PRO 15 2.844 3.414 4.979
78 HD2 PRO 15 HD2 PRO 15 0.970 3.444 2.947
79 HD3 PRO 15 HD3 PRO 15 0.526 3.219 4.660
80 H GLY 16 H GLY 16 2.125 5.813 2.195
81 HA2 GLY 16 HA2 GLY 16 1.770 7.410 0.303
82 HA3 GLY 16 HA3 GLY 16 2.196 8.701 1.416
83 H GLY 17 H GLY 17 4.208 5.854 1.886
84 HA2 GLY 17 HA2 GLY 17 6.161 6.726 -0.150
85 HA3 GLY 17 HA3 GLY 17 6.488 6.991 1.574
86 H THR 18 H THR 18 8.241 5.744 1.856
87 HA THR 18 HA THR 18 8.750 3.206 0.823
88 HB THR 18 HB THR 18 10.212 3.376 3.161
89 HG1 THR 18 HG1 THR 18 10.295 5.401 3.847
90 HG21 THR 18 HG21 THR 18 10.727 4.943 0.582
91 HG22 THR 18 HG22 THR 18 11.089 3.223 0.825
92 HG23 THR 18 HG23 THR 18 11.947 4.449 1.775
93 H GLY 19 H GLY 19 6.772 4.118 3.652
94 HA2 GLY 19 HA2 GLY 19 6.656 1.449 4.753
95 HA3 GLY 19 HA3 GLY 19 5.609 2.820 5.155
96 H CYS 20 H CYS 20 5.595 2.356 1.793
97 HA CYS 20 HA CYS 20 2.888 1.245 1.837
98 HB2 CYS 20 HB2 CYS 20 3.603 3.250 0.408
99 HB3 CYS 20 HB3 CYS 20 4.683 2.151 -0.422
100 H ARG 21 H ARG 21 2.423 -0.955 1.117
101 HA ARG 21 HA ARG 21 4.647 -2.767 1.059
102 HB2 ARG 21 HB2 ARG 21 1.699 -3.091 0.353
103 HB3 ARG 21 HB3 ARG 21 2.815 -4.434 0.550
104 HG2 ARG 21 HG2 ARG 21 2.266 -2.480 2.812
105 HG3 ARG 21 HG3 ARG 21 1.212 -3.832 2.450
106 HD2 ARG 21 HD2 ARG 21 4.184 -4.233 2.946
107 HD3 ARG 21 HD3 ARG 21 2.983 -4.189 4.246
108 HE ARG 21 HE ARG 21 2.276 -6.075 2.117
109 HH11 ARG 21 HH11 ARG 21 4.216 -5.770 5.126
110 HH12 ARG 21 HH12 ARG 21 3.894 -7.427 5.561
111 HH21 ARG 21 HH21 ARG 21 2.006 -8.211 2.725
112 HH22 ARG 21 HH22 ARG 21 2.647 -8.780 4.257
113 H CYS 22 H CYS 22 3.035 -1.119 -1.547
114 HA CYS 22 HA CYS 22 3.599 -3.169 -3.517
115 HB2 CYS 22 HB2 CYS 22 2.900 -0.245 -3.957
116 HB3 CYS 22 HB3 CYS 22 3.084 -1.429 -5.197
117 H THR 23 H THR 23 4.687 0.235 -3.466
118 HA THR 23 HA THR 23 6.797 0.065 -5.176
119 HB THR 23 HB THR 23 7.233 2.319 -3.962
120 HG1 THR 23 HG1 THR 23 6.081 2.774 -2.354
121 HG21 THR 23 HG21 THR 23 5.762 1.983 -6.036
122 HG22 THR 23 HG22 THR 23 5.342 3.377 -5.022
123 HG23 THR 23 HG23 THR 23 4.374 1.895 -4.949
124 H SER 24 H SER 24 6.761 -0.758 -1.717
125 HA SER 24 HA SER 24 9.614 -1.433 -1.906
126 HB2 SER 24 HB2 SER 24 8.310 0.202 0.304
127 HB3 SER 24 HB3 SER 24 9.995 -0.355 0.282
128 HG SER 24 HG SER 24 10.276 0.859 -1.640
129 H ALA 25 H ALA 25 9.088 -3.605 -2.033
130 HA ALA 25 HA ALA 25 7.103 -4.824 -0.269
131 HB1 ALA 25 HB1 ALA 25 7.852 -6.919 -1.324
132 HB2 ALA 25 HB2 ALA 25 7.519 -5.688 -2.561
133 HB3 ALA 25 HB3 ALA 25 9.200 -6.072 -2.107
134 H ARG 26 H ARG 26 7.780 -6.705 1.196
135 HA ARG 26 HA ARG 26 10.432 -6.812 2.305
136 HB2 ARG 26 HB2 ARG 26 8.038 -5.839 3.948
137 HB3 ARG 26 HB3 ARG 26 9.572 -6.358 4.630
138 HG2 ARG 26 HG2 ARG 26 9.114 -3.891 2.900
139 HG3 ARG 26 HG3 ARG 26 9.326 -3.917 4.625
140 HD2 ARG 26 HD2 ARG 26 11.483 -4.909 2.730
141 HD3 ARG 26 HD3 ARG 26 11.358 -3.240 3.304
142 HE ARG 26 HE ARG 26 11.268 -4.811 5.586
143 HH11 ARG 26 HH11 ARG 26 13.620 -4.369 2.949
144 HH12 ARG 26 HH12 ARG 26 15.005 -4.569 3.950
145 HH21 ARG 26 HH21 ARG 26 13.075 -5.228 6.869
146 HH22 ARG 26 HH22 ARG 26 14.691 -5.099 6.219
Start of MODEL 40
1 H1 GLY 1 H GLY 1 -2.872 4.828 -10.675
2 HA2 GLY 1 HA2 GLY 1 -4.217 6.075 -8.973
3 HA3 GLY 1 HA3 GLY 1 -4.608 4.468 -8.294
4 H SER 2 H SER 2 -3.490 4.709 -6.266
5 HA SER 2 HA SER 2 -0.737 5.662 -6.189
6 HB2 SER 2 HB2 SER 2 -1.136 5.011 -3.707
7 HB3 SER 2 HB3 SER 2 -2.073 6.336 -4.425
8 HG SER 2 HG SER 2 -3.602 5.231 -3.517
9 H GLY 3 H GLY 3 -1.601 2.926 -7.586
10 HA2 GLY 3 HA2 GLY 3 -0.667 0.851 -7.886
11 HA3 GLY 3 HA3 GLY 3 0.797 1.501 -7.099
12 H CYS 4 H CYS 4 -2.179 1.610 -5.390
13 HA CYS 4 HA CYS 4 -1.803 -0.867 -3.931
14 HB2 CYS 4 HB2 CYS 4 -0.809 1.754 -2.987
15 HB3 CYS 4 HB3 CYS 4 -1.980 1.088 -1.880
16 H ASP 5 H ASP 5 -3.704 -1.592 -3.236
17 HA ASP 5 HA ASP 5 -5.994 0.299 -3.034
18 HB2 ASP 5 HB2 ASP 5 -5.815 -2.653 -3.772
19 HB3 ASP 5 HB3 ASP 5 -7.326 -1.761 -3.541
20 H ASP 6 H ASP 6 -7.649 -1.006 -1.546
21 HA ASP 6 HA ASP 6 -6.472 -1.156 1.120
22 HB2 ASP 6 HB2 ASP 6 -8.772 -0.928 1.744
23 HB3 ASP 6 HB3 ASP 6 -8.595 0.089 0.323
24 H LYS 7 H LYS 7 -7.211 -3.217 -1.391
25 HA LYS 7 HA LYS 7 -8.027 -5.588 0.149
26 HB2 LYS 7 HB2 LYS 7 -8.730 -6.523 -1.858
27 HB3 LYS 7 HB3 LYS 7 -9.079 -4.814 -2.051
28 HG2 LYS 7 HG2 LYS 7 -6.752 -4.715 -3.283
29 HG3 LYS 7 HG3 LYS 7 -6.879 -6.482 -3.338
30 HD2 LYS 7 HD2 LYS 7 -9.179 -6.141 -4.426
31 HD3 LYS 7 HD3 LYS 7 -8.774 -4.422 -4.494
32 HE2 LYS 7 HE2 LYS 7 -8.112 -5.034 -6.594
33 HE3 LYS 7 HE3 LYS 7 -6.589 -5.235 -5.729
34 HZ1 LYS 7 HZ1 LYS 7 -7.117 -7.648 -5.624
35 HZ2 LYS 7 HZ2 LYS 7 -7.115 -7.062 -7.184
36 HZ3 LYS 7 HZ3 LYS 7 -8.536 -7.353 -6.427
37 H CYS 8 H CYS 8 -5.141 -4.266 -1.127
38 HA CYS 8 HA CYS 8 -3.744 -6.843 -1.407
39 HB2 CYS 8 HB2 CYS 8 -1.830 -5.522 -1.920
40 HB3 CYS 8 HB3 CYS 8 -3.223 -4.859 -2.791
41 H GLY 9 H GLY 9 -5.014 -5.701 1.266
42 HA2 GLY 9 HA2 GLY 9 -4.497 -5.903 3.484
43 HA3 GLY 9 HA3 GLY 9 -2.923 -6.598 3.013
44 H CYS 10 H CYS 10 -4.468 -3.324 2.330
45 HA CYS 10 HA CYS 10 -2.125 -2.163 3.781
46 HB2 CYS 10 HB2 CYS 10 -2.920 -1.614 0.940
47 HB3 CYS 10 HB3 CYS 10 -2.610 -0.242 1.973
48 H ALA 11 H ALA 11 -2.597 -0.566 5.078
49 HA ALA 11 HA ALA 11 -5.326 0.274 5.476
50 HB1 ALA 11 HB1 ALA 11 -3.788 0.283 7.380
51 HB2 ALA 11 HB2 ALA 11 -2.610 1.278 6.490
52 HB3 ALA 11 HB3 ALA 11 -4.149 1.979 6.978
53 H VAL 12 H VAL 12 -6.229 2.044 4.432
54 HA VAL 12 HA VAL 12 -4.536 3.631 2.661
55 HB VAL 12 HB VAL 12 -6.359 3.703 1.009
56 HG11 VAL 12 HG11 VAL 12 -4.407 2.327 0.583
57 HG12 VAL 12 HG12 VAL 12 -5.138 0.950 1.451
58 HG13 VAL 12 HG13 VAL 12 -5.858 1.544 -0.047
59 HG21 VAL 12 HG21 VAL 12 -8.041 2.068 0.917
60 HG22 VAL 12 HG22 VAL 12 -7.459 1.227 2.384
61 HG23 VAL 12 HG23 VAL 12 -8.200 2.846 2.493
62 HA PRO 13 HA PRO 13 -5.175 5.859 1.333
63 HB2 PRO 13 HB2 PRO 13 -4.125 8.279 2.176
64 HB3 PRO 13 HB3 PRO 13 -5.728 8.054 1.426
65 HG2 PRO 13 HG2 PRO 13 -5.067 8.267 4.370
66 HG3 PRO 13 HG3 PRO 13 -6.407 9.034 3.482
67 HD2 PRO 13 HD2 PRO 13 -6.786 6.797 4.940
68 HD3 PRO 13 HD3 PRO 13 -7.632 7.036 3.382
69 H CYS 14 H CYS 14 -3.161 5.179 0.870
70 HA CYS 14 HA CYS 14 -1.578 4.035 3.005
71 HB2 CYS 14 HB2 CYS 14 -1.269 4.296 -0.002
72 HB3 CYS 14 HB3 CYS 14 0.051 3.712 1.024
73 HA PRO 15 HA PRO 15 0.940 7.688 3.556
74 HB2 PRO 15 HB2 PRO 15 3.084 6.641 4.912
75 HB3 PRO 15 HB3 PRO 15 1.479 6.902 5.643
76 HG2 PRO 15 HG2 PRO 15 2.622 4.349 4.478
77 HG3 PRO 15 HG3 PRO 15 1.789 4.570 6.055
78 HD2 PRO 15 HD2 PRO 15 0.464 3.658 3.878
79 HD3 PRO 15 HD3 PRO 15 -0.324 4.806 4.998
80 H GLY 16 H GLY 16 1.836 5.188 1.447
81 HA2 GLY 16 HA2 GLY 16 3.221 5.021 -0.334
82 HA3 GLY 16 HA3 GLY 16 3.397 6.762 -0.248
83 H GLY 17 H GLY 17 4.562 5.448 2.678
84 HA2 GLY 17 HA2 GLY 17 7.289 5.158 1.611
85 HA3 GLY 17 HA3 GLY 17 6.915 6.143 3.043
86 H THR 18 H THR 18 8.508 4.707 4.081
87 HA THR 18 HA THR 18 8.343 1.972 4.279
88 HB THR 18 HB THR 18 9.449 4.100 6.118
89 HG1 THR 18 HG1 THR 18 10.092 3.332 3.764
90 HG21 THR 18 HG21 THR 18 9.917 1.102 6.205
91 HG22 THR 18 HG22 THR 18 9.288 2.122 7.518
92 HG23 THR 18 HG23 THR 18 10.964 2.310 6.959
93 H GLY 19 H GLY 19 6.169 4.213 5.945
94 HA2 GLY 19 HA2 GLY 19 5.241 2.374 7.933
95 HA3 GLY 19 HA3 GLY 19 4.347 3.763 7.296
96 H CYS 20 H CYS 20 4.833 2.415 4.493
97 HA CYS 20 HA CYS 20 2.303 1.233 4.162
98 HB2 CYS 20 HB2 CYS 20 3.835 2.442 2.486
99 HB3 CYS 20 HB3 CYS 20 4.708 0.929 2.381
100 H ARG 21 H ARG 21 1.738 -1.117 3.922
101 HA ARG 21 HA ARG 21 3.447 -2.874 5.521
102 HB2 ARG 21 HB2 ARG 21 0.821 -3.439 4.107
103 HB3 ARG 21 HB3 ARG 21 1.611 -4.482 5.266
104 HG2 ARG 21 HG2 ARG 21 0.431 -1.743 5.867
105 HG3 ARG 21 HG3 ARG 21 -0.283 -3.304 6.218
106 HD2 ARG 21 HD2 ARG 21 0.592 -2.660 8.272
107 HD3 ARG 21 HD3 ARG 21 1.785 -3.817 7.651
108 HE ARG 21 HE ARG 21 2.412 -1.054 6.997
109 HH11 ARG 21 HH11 ARG 21 2.555 -3.369 9.712
110 HH12 ARG 21 HH12 ARG 21 3.837 -2.537 10.502
111 HH21 ARG 21 HH21 ARG 21 3.978 0.093 8.099
112 HH22 ARG 21 HH22 ARG 21 4.656 -0.522 9.581
113 H CYS 22 H CYS 22 3.069 -2.460 2.079
114 HA CYS 22 HA CYS 22 3.963 -5.246 1.536
115 HB2 CYS 22 HB2 CYS 22 3.862 -2.966 -0.407
116 HB3 CYS 22 HB3 CYS 22 4.074 -4.622 -0.794
117 H THR 23 H THR 23 5.700 -2.289 2.286
118 HA THR 23 HA THR 23 7.794 -1.551 1.764
119 HB THR 23 HB THR 23 9.561 -3.358 1.753
120 HG1 THR 23 HG1 THR 23 8.131 -5.079 1.080
121 HG21 THR 23 HG21 THR 23 7.532 -3.451 4.021
122 HG22 THR 23 HG22 THR 23 8.674 -2.123 3.759
123 HG23 THR 23 HG23 THR 23 9.283 -3.741 4.100
124 H SER 24 H SER 24 5.916 -1.852 -0.446
125 HA SER 24 HA SER 24 7.745 -2.204 -2.697
126 HB2 SER 24 HB2 SER 24 5.715 -2.547 -4.028
127 HB3 SER 24 HB3 SER 24 5.771 -3.653 -2.656
128 HG SER 24 HG SER 24 3.977 -1.712 -3.306
129 H ALA 25 H ALA 25 7.608 -0.844 -4.499
130 HA ALA 25 HA ALA 25 6.614 1.939 -4.190
131 HB1 ALA 25 HB1 ALA 25 9.342 0.965 -5.193
132 HB2 ALA 25 HB2 ALA 25 8.747 2.632 -5.274
133 HB3 ALA 25 HB3 ALA 25 9.059 1.876 -3.695
134 H ARG 26 H ARG 26 5.197 2.212 -5.971
135 HA ARG 26 HA ARG 26 5.904 1.061 -8.531
136 HB2 ARG 26 HB2 ARG 26 4.532 -0.831 -7.539
137 HB3 ARG 26 HB3 ARG 26 3.181 0.308 -7.373
138 HG2 ARG 26 HG2 ARG 26 3.550 0.793 -9.931
139 HG3 ARG 26 HG3 ARG 26 4.546 -0.658 -9.929
140 HD2 ARG 26 HD2 ARG 26 1.618 -0.519 -9.078
141 HD3 ARG 26 HD3 ARG 26 2.180 -0.972 -10.689
142 HE ARG 26 HE ARG 26 3.570 -2.653 -9.009
143 HH11 ARG 26 HH11 ARG 26 0.170 -2.184 -9.885
144 HH12 ARG 26 HH12 ARG 26 -0.340 -3.782 -9.479
145 HH21 ARG 26 HH21 ARG 26 3.026 -4.725 -8.574
146 HH22 ARG 26 HH22 ARG 26 1.439 -5.370 -8.880