Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
510881 | 2l62 RC | 17295 | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 2.178 -3.898 10.428
2 HA2 GLY 1 HA2 GLY 1 2.688 -1.653 9.645
3 HA3 GLY 1 HA3 GLY 1 3.789 -2.100 10.957
4 H SER 2 H SER 2 5.862 -1.521 10.479
5 HA SER 2 HA SER 2 7.622 -0.733 9.329
6 HB2 SER 2 HB2 SER 2 7.825 -3.226 9.803
7 HB3 SER 2 HB3 SER 2 7.494 -3.500 8.088
8 HG SER 2 HG SER 2 9.738 -2.458 9.377
9 H GLY 3 H GLY 3 6.103 0.755 8.175
10 HA2 GLY 3 HA2 GLY 3 5.290 1.865 6.347
11 HA3 GLY 3 HA3 GLY 3 6.918 1.588 5.742
12 H CYS 4 H CYS 4 7.176 0.282 3.948
13 HA CYS 4 HA CYS 4 5.870 -1.903 3.065
14 HB2 CYS 4 HB2 CYS 4 4.079 0.345 2.708
15 HB3 CYS 4 HB3 CYS 4 4.630 -0.152 1.125
16 H ASP 5 H ASP 5 6.146 -2.454 0.824
17 HA ASP 5 HA ASP 5 8.061 -0.849 -0.724
18 HB2 ASP 5 HB2 ASP 5 8.175 -3.821 -0.877
19 HB3 ASP 5 HB3 ASP 5 9.411 -2.624 -1.205
20 H ASP 6 H ASP 6 7.943 -1.634 -3.075
21 HA ASP 6 HA ASP 6 5.356 -1.555 -4.147
22 HB2 ASP 6 HB2 ASP 6 6.327 -1.798 -6.238
23 HB3 ASP 6 HB3 ASP 6 7.645 -1.088 -5.289
24 H LYS 7 H LYS 7 7.235 -4.301 -3.028
25 HA LYS 7 HA LYS 7 5.972 -6.408 -4.386
26 HB2 LYS 7 HB2 LYS 7 6.850 -7.863 -2.718
27 HB3 LYS 7 HB3 LYS 7 7.996 -6.545 -2.872
28 HG2 LYS 7 HG2 LYS 7 6.711 -5.498 -0.832
29 HG3 LYS 7 HG3 LYS 7 6.050 -7.109 -0.597
30 HD2 LYS 7 HD2 LYS 7 9.021 -6.438 -0.694
31 HD3 LYS 7 HD3 LYS 7 8.065 -6.534 0.791
32 HE2 LYS 7 HE2 LYS 7 7.639 -8.908 0.454
33 HE3 LYS 7 HE3 LYS 7 8.482 -8.860 -1.111
34 HZ1 LYS 7 HZ1 LYS 7 10.491 -8.373 -0.046
35 HZ2 LYS 7 HZ2 LYS 7 9.899 -9.702 0.658
36 HZ3 LYS 7 HZ3 LYS 7 9.826 -8.265 1.468
37 H CYS 8 H CYS 8 4.811 -4.378 -1.805
38 HA CYS 8 HA CYS 8 2.443 -6.043 -1.292
39 HB2 CYS 8 HB2 CYS 8 3.789 -5.200 0.518
40 HB3 CYS 8 HB3 CYS 8 3.477 -3.546 0.013
41 H GLY 9 H GLY 9 2.987 -3.914 -3.850
42 HA2 GLY 9 HA2 GLY 9 1.528 -2.790 -5.148
43 HA3 GLY 9 HA3 GLY 9 0.203 -3.439 -4.170
44 H CYS 10 H CYS 10 3.002 -1.435 -3.571
45 HA CYS 10 HA CYS 10 1.452 0.921 -2.859
46 HB2 CYS 10 HB2 CYS 10 3.337 -0.121 -0.732
47 HB3 CYS 10 HB3 CYS 10 2.111 1.183 -0.635
48 H ALA 11 H ALA 11 2.758 2.711 -3.345
49 HA ALA 11 HA ALA 11 5.409 2.268 -4.306
50 HB1 ALA 11 HB1 ALA 11 4.170 4.878 -3.322
51 HB2 ALA 11 HB2 ALA 11 5.510 4.708 -4.470
52 HB3 ALA 11 HB3 ALA 11 3.879 4.209 -4.935
53 H VAL 12 H VAL 12 7.175 3.796 -3.301
54 HA VAL 12 HA VAL 12 7.340 3.358 -0.358
55 HB VAL 12 HB VAL 12 9.720 3.257 -2.252
56 HG11 VAL 12 HG11 VAL 12 10.166 3.817 0.122
57 HG12 VAL 12 HG12 VAL 12 9.285 2.349 0.635
58 HG13 VAL 12 HG13 VAL 12 10.790 2.222 -0.288
59 HG21 VAL 12 HG21 VAL 12 9.583 0.735 -1.754
60 HG22 VAL 12 HG22 VAL 12 7.884 1.069 -1.293
61 HG23 VAL 12 HG23 VAL 12 8.451 1.377 -2.946
62 HA PRO 13 HA PRO 13 7.027 4.734 1.315
63 HB2 PRO 13 HB2 PRO 13 5.558 6.846 2.179
64 HB3 PRO 13 HB3 PRO 13 7.348 6.824 2.322
65 HG2 PRO 13 HG2 PRO 13 5.681 8.070 0.100
66 HG3 PRO 13 HG3 PRO 13 6.948 8.865 1.086
67 HD2 PRO 13 HD2 PRO 13 7.535 7.817 -1.331
68 HD3 PRO 13 HD3 PRO 13 8.675 7.643 0.037
69 H CYS 14 H CYS 14 4.716 4.296 1.995
70 HA CYS 14 HA CYS 14 3.102 3.384 -0.119
71 HB2 CYS 14 HB2 CYS 14 3.004 3.583 2.784
72 HB3 CYS 14 HB3 CYS 14 1.470 4.049 2.155
73 HA PRO 15 HA PRO 15 1.215 7.089 -1.652
74 HB2 PRO 15 HB2 PRO 15 -1.459 6.115 -2.100
75 HB3 PRO 15 HB3 PRO 15 -0.107 6.289 -3.256
76 HG2 PRO 15 HG2 PRO 15 -1.087 3.899 -1.783
77 HG3 PRO 15 HG3 PRO 15 -0.192 4.004 -3.333
78 HD2 PRO 15 HD2 PRO 15 0.936 3.169 -0.951
79 HD3 PRO 15 HD3 PRO 15 1.862 3.957 -2.268
80 H GLY 16 H GLY 16 -0.941 5.319 0.628
81 HA2 GLY 16 HA2 GLY 16 -1.878 6.088 2.630
82 HA3 GLY 16 HA3 GLY 16 -1.126 7.652 2.334
83 H GLY 17 H GLY 17 -4.009 5.799 2.087
84 HA2 GLY 17 HA2 GLY 17 -6.166 6.538 1.540
85 HA3 GLY 17 HA3 GLY 17 -5.487 8.087 0.986
86 H THR 18 H THR 18 -4.585 8.249 -0.990
87 HA THR 18 HA THR 18 -5.538 7.628 -3.254
88 HB THR 18 HB THR 18 -2.527 7.724 -3.144
89 HG1 THR 18 HG1 THR 18 -4.278 9.681 -2.122
90 HG21 THR 18 HG21 THR 18 -3.686 7.931 -5.317
91 HG22 THR 18 HG22 THR 18 -2.820 9.413 -4.872
92 HG23 THR 18 HG23 THR 18 -4.576 9.343 -4.689
93 H GLY 19 H GLY 19 -6.319 5.343 -3.012
94 HA2 GLY 19 HA2 GLY 19 -6.376 3.241 -4.031
95 HA3 GLY 19 HA3 GLY 19 -4.872 3.695 -4.873
96 H CYS 20 H CYS 20 -4.818 3.717 -1.307
97 HA CYS 20 HA CYS 20 -2.716 1.749 -1.581
98 HB2 CYS 20 HB2 CYS 20 -2.451 3.466 0.269
99 HB3 CYS 20 HB3 CYS 20 -3.885 2.704 0.991
100 H ARG 21 H ARG 21 -3.110 -0.361 -1.893
101 HA ARG 21 HA ARG 21 -5.546 -1.551 -0.753
102 HB2 ARG 21 HB2 ARG 21 -4.929 -3.573 -1.903
103 HB3 ARG 21 HB3 ARG 21 -5.119 -2.188 -2.936
104 HG2 ARG 21 HG2 ARG 21 -2.905 -2.196 -3.628
105 HG3 ARG 21 HG3 ARG 21 -2.288 -2.668 -2.057
106 HD2 ARG 21 HD2 ARG 21 -2.786 -4.888 -2.295
107 HD3 ARG 21 HD3 ARG 21 -3.971 -4.629 -3.579
108 HE ARG 21 HE ARG 21 -1.212 -5.170 -3.964
109 HH11 ARG 21 HH11 ARG 21 -3.825 -3.099 -5.352
110 HH12 ARG 21 HH12 ARG 21 -3.377 -3.452 -6.972
111 HH21 ARG 21 HH21 ARG 21 -0.350 -5.091 -6.132
112 HH22 ARG 21 HH22 ARG 21 -1.345 -4.570 -7.440
113 H CYS 22 H CYS 22 -4.401 -0.878 1.337
114 HA CYS 22 HA CYS 22 -3.322 -3.368 2.680
115 HB2 CYS 22 HB2 CYS 22 -2.572 -0.606 3.689
116 HB3 CYS 22 HB3 CYS 22 -2.080 -2.156 4.316
117 H THR 23 H THR 23 -6.064 -1.398 2.527
118 HA THR 23 HA THR 23 -6.678 -1.998 5.356
119 HB THR 23 HB THR 23 -5.750 0.134 5.538
120 HG1 THR 23 HG1 THR 23 -7.868 0.103 6.405
121 HG21 THR 23 HG21 THR 23 -5.430 0.809 3.194
122 HG22 THR 23 HG22 THR 23 -6.201 2.075 4.094
123 HG23 THR 23 HG23 THR 23 -7.183 1.056 3.019
124 H SER 24 H SER 24 -8.931 -1.810 5.849
125 HA SER 24 HA SER 24 -10.618 -3.080 3.920
126 HB2 SER 24 HB2 SER 24 -12.281 -2.559 5.916
127 HB3 SER 24 HB3 SER 24 -11.072 -3.845 6.001
128 HG SER 24 HG SER 24 -11.088 -2.686 7.861
129 H ALA 25 H ALA 25 -10.777 -1.775 2.231
130 HA ALA 25 HA ALA 25 -12.810 0.244 2.158
131 HB1 ALA 25 HB1 ALA 25 -11.318 2.035 1.245
132 HB2 ALA 25 HB2 ALA 25 -10.992 1.706 2.951
133 HB3 ALA 25 HB3 ALA 25 -9.891 1.079 1.698
134 H ARG 26 H ARG 26 -13.618 -1.435 0.696
135 HA ARG 26 HA ARG 26 -12.605 -1.256 -1.990
136 HB2 ARG 26 HB2 ARG 26 -11.164 -3.095 -0.966
137 HB3 ARG 26 HB3 ARG 26 -12.625 -4.043 -0.717
138 HG2 ARG 26 HG2 ARG 26 -11.753 -2.966 -3.436
139 HG3 ARG 26 HG3 ARG 26 -11.232 -4.530 -2.804
140 HD2 ARG 26 HD2 ARG 26 -13.546 -5.322 -2.693
141 HD3 ARG 26 HD3 ARG 26 -14.130 -3.753 -3.285
142 HE ARG 26 HE ARG 26 -12.258 -4.733 -5.137
143 HH11 ARG 26 HH11 ARG 26 -15.534 -5.559 -3.962
144 HH12 ARG 26 HH12 ARG 26 -16.048 -6.127 -5.543
145 HH21 ARG 26 HH21 ARG 26 -13.181 -5.059 -7.213
146 HH22 ARG 26 HH22 ARG 26 -14.725 -5.916 -7.335
Start of MODEL 2
1 H1 GLY 1 H GLY 1 12.688 -4.219 9.784
2 HA2 GLY 1 HA2 GLY 1 10.376 -3.787 8.973
3 HA3 GLY 1 HA3 GLY 1 10.669 -3.228 10.637
4 H SER 2 H SER 2 10.160 -2.211 7.266
5 HA SER 2 HA SER 2 10.542 0.629 7.907
6 HB2 SER 2 HB2 SER 2 9.385 -0.509 5.362
7 HB3 SER 2 HB3 SER 2 10.317 0.978 5.601
8 HG SER 2 HG SER 2 12.111 -0.158 5.351
9 H GLY 3 H GLY 3 7.981 -1.608 8.263
10 HA2 GLY 3 HA2 GLY 3 5.839 -1.208 9.097
11 HA3 GLY 3 HA3 GLY 3 6.041 0.525 8.809
12 H CYS 4 H CYS 4 6.947 -0.780 5.898
13 HA CYS 4 HA CYS 4 4.507 -1.654 4.730
14 HB2 CYS 4 HB2 CYS 4 4.397 1.019 5.181
15 HB3 CYS 4 HB3 CYS 4 5.291 1.038 3.654
16 H ASP 5 H ASP 5 4.758 -2.026 2.481
17 HA ASP 5 HA ASP 5 7.290 -1.545 1.120
18 HB2 ASP 5 HB2 ASP 5 6.300 -4.379 1.729
19 HB3 ASP 5 HB3 ASP 5 7.652 -3.933 0.687
20 H ASP 6 H ASP 6 7.111 -2.777 -1.010
21 HA ASP 6 HA ASP 6 4.881 -1.987 -2.542
22 HB2 ASP 6 HB2 ASP 6 7.066 -2.220 -3.484
23 HB3 ASP 6 HB3 ASP 6 7.158 -3.927 -3.008
24 H LYS 7 H LYS 7 5.642 -5.073 -0.940
25 HA LYS 7 HA LYS 7 3.612 -6.638 -2.196
26 HB2 LYS 7 HB2 LYS 7 5.078 -6.891 0.456
27 HB3 LYS 7 HB3 LYS 7 3.917 -8.093 -0.064
28 HG2 LYS 7 HG2 LYS 7 6.295 -7.316 -1.790
29 HG3 LYS 7 HG3 LYS 7 6.382 -8.557 -0.539
30 HD2 LYS 7 HD2 LYS 7 4.589 -9.859 -1.703
31 HD3 LYS 7 HD3 LYS 7 4.539 -8.621 -2.962
32 HE2 LYS 7 HE2 LYS 7 5.875 -10.404 -3.813
33 HE3 LYS 7 HE3 LYS 7 6.949 -9.059 -3.440
34 HZ1 LYS 7 HZ1 LYS 7 7.432 -10.265 -1.309
35 HZ2 LYS 7 HZ2 LYS 7 7.956 -11.030 -2.654
36 HZ3 LYS 7 HZ3 LYS 7 6.601 -11.551 -1.887
37 H CYS 8 H CYS 8 3.176 -3.992 -0.155
38 HA CYS 8 HA CYS 8 0.565 -4.941 0.908
39 HB2 CYS 8 HB2 CYS 8 2.297 -4.077 2.470
40 HB3 CYS 8 HB3 CYS 8 2.333 -2.562 1.568
41 H GLY 9 H GLY 9 1.444 -3.625 -2.056
42 HA2 GLY 9 HA2 GLY 9 0.383 -2.306 -3.546
43 HA3 GLY 9 HA3 GLY 9 -1.069 -2.415 -2.533
44 H CYS 10 H CYS 10 2.188 -1.257 -2.254
45 HA CYS 10 HA CYS 10 1.438 1.513 -1.682
46 HB2 CYS 10 HB2 CYS 10 3.049 -0.018 0.431
47 HB3 CYS 10 HB3 CYS 10 2.516 1.643 0.452
48 H ALA 11 H ALA 11 2.899 2.780 -2.540
49 HA ALA 11 HA ALA 11 5.455 1.830 -3.493
50 HB1 ALA 11 HB1 ALA 11 4.116 3.693 -4.549
51 HB2 ALA 11 HB2 ALA 11 4.485 4.707 -3.131
52 HB3 ALA 11 HB3 ALA 11 5.780 4.160 -4.185
53 H VAL 12 H VAL 12 7.470 3.387 -2.766
54 HA VAL 12 HA VAL 12 7.460 3.525 0.213
55 HB VAL 12 HB VAL 12 9.641 2.401 -1.535
56 HG11 VAL 12 HG11 VAL 12 9.528 2.847 1.474
57 HG12 VAL 12 HG12 VAL 12 10.823 2.008 0.591
58 HG13 VAL 12 HG13 VAL 12 10.556 3.727 0.336
59 HG21 VAL 12 HG21 VAL 12 7.854 0.755 -1.178
60 HG22 VAL 12 HG22 VAL 12 9.228 0.339 -0.132
61 HG23 VAL 12 HG23 VAL 12 7.805 1.142 0.557
62 HA PRO 13 HA PRO 13 7.323 5.126 1.547
63 HB2 PRO 13 HB2 PRO 13 6.192 7.551 1.947
64 HB3 PRO 13 HB3 PRO 13 7.888 7.186 2.377
65 HG2 PRO 13 HG2 PRO 13 6.860 8.551 -0.122
66 HG3 PRO 13 HG3 PRO 13 8.207 9.057 0.943
67 HD2 PRO 13 HD2 PRO 13 8.597 7.664 -1.375
68 HD3 PRO 13 HD3 PRO 13 9.618 7.397 0.055
69 H CYS 14 H CYS 14 4.997 5.026 2.020
70 HA CYS 14 HA CYS 14 3.473 4.311 -0.302
71 HB2 CYS 14 HB2 CYS 14 3.223 3.252 1.914
72 HB3 CYS 14 HB3 CYS 14 2.594 4.776 2.581
73 HA PRO 15 HA PRO 15 1.749 8.331 -1.181
74 HB2 PRO 15 HB2 PRO 15 -0.511 7.632 -2.626
75 HB3 PRO 15 HB3 PRO 15 1.142 7.604 -3.282
76 HG2 PRO 15 HG2 PRO 15 -0.465 5.297 -2.177
77 HG3 PRO 15 HG3 PRO 15 0.536 5.340 -3.659
78 HD2 PRO 15 HD2 PRO 15 1.490 4.259 -1.381
79 HD3 PRO 15 HD3 PRO 15 2.531 5.236 -2.456
80 H GLY 16 H GLY 16 -0.332 5.753 0.001
81 HA2 GLY 16 HA2 GLY 16 -1.881 5.641 1.693
82 HA3 GLY 16 HA3 GLY 16 -1.447 7.290 2.186
83 H GLY 17 H GLY 17 -2.205 7.418 -1.076
84 HA2 GLY 17 HA2 GLY 17 -4.931 8.373 -0.561
85 HA3 GLY 17 HA3 GLY 17 -3.891 8.694 -1.968
86 H THR 18 H THR 18 -5.762 8.213 -3.176
87 HA THR 18 HA THR 18 -7.230 5.895 -3.382
88 HB THR 18 HB THR 18 -7.483 6.547 -5.782
89 HG1 THR 18 HG1 THR 18 -5.654 8.660 -5.223
90 HG21 THR 18 HG21 THR 18 -7.508 8.975 -3.919
91 HG22 THR 18 HG22 THR 18 -8.777 7.738 -4.013
92 HG23 THR 18 HG23 THR 18 -8.415 8.758 -5.417
93 H GLY 19 H GLY 19 -3.868 6.336 -4.417
94 HA2 GLY 19 HA2 GLY 19 -3.792 3.809 -5.877
95 HA3 GLY 19 HA3 GLY 19 -2.485 4.955 -5.655
96 H CYS 20 H CYS 20 -4.413 3.689 -2.869
97 HA CYS 20 HA CYS 20 -2.059 2.041 -2.071
98 HB2 CYS 20 HB2 CYS 20 -2.508 4.227 -0.736
99 HB3 CYS 20 HB3 CYS 20 -4.047 3.464 -0.281
100 H ARG 21 H ARG 21 -2.535 0.157 -0.967
101 HA ARG 21 HA ARG 21 -5.365 -0.756 -0.823
102 HB2 ARG 21 HB2 ARG 21 -2.931 -2.331 -1.671
103 HB3 ARG 21 HB3 ARG 21 -4.548 -2.970 -1.529
104 HG2 ARG 21 HG2 ARG 21 -3.907 -0.742 -3.500
105 HG3 ARG 21 HG3 ARG 21 -3.706 -2.438 -3.886
106 HD2 ARG 21 HD2 ARG 21 -6.338 -1.330 -2.841
107 HD3 ARG 21 HD3 ARG 21 -5.952 -1.346 -4.549
108 HE ARG 21 HE ARG 21 -6.727 -3.601 -2.887
109 HH11 ARG 21 HH11 ARG 21 -5.108 -2.698 -5.965
110 HH12 ARG 21 HH12 ARG 21 -4.968 -4.359 -6.464
111 HH21 ARG 21 HH21 ARG 21 -6.797 -5.739 -3.792
112 HH22 ARG 21 HH22 ARG 21 -6.166 -6.022 -5.356
113 H CYS 22 H CYS 22 -3.484 0.413 1.175
114 HA CYS 22 HA CYS 22 -2.452 -1.617 3.004
115 HB2 CYS 22 HB2 CYS 22 -3.309 1.264 3.576
116 HB3 CYS 22 HB3 CYS 22 -2.891 0.132 4.842
117 H THR 23 H THR 23 -5.576 0.126 2.779
118 HA THR 23 HA THR 23 -6.777 -0.850 5.090
119 HB THR 23 HB THR 23 -7.521 1.041 3.744
120 HG1 THR 23 HG1 THR 23 -9.749 0.516 3.765
121 HG21 THR 23 HG21 THR 23 -8.497 -0.930 1.634
122 HG22 THR 23 HG22 THR 23 -7.139 0.202 1.412
123 HG23 THR 23 HG23 THR 23 -8.764 0.805 1.636
124 H SER 24 H SER 24 -6.201 -2.501 2.071
125 HA SER 24 HA SER 24 -6.534 -4.396 1.193
126 HB2 SER 24 HB2 SER 24 -6.553 -6.450 2.388
127 HB3 SER 24 HB3 SER 24 -5.355 -5.317 3.018
128 HG SER 24 HG SER 24 -7.579 -6.429 4.182
129 H ALA 25 H ALA 25 -9.154 -3.083 2.887
130 HA ALA 25 HA ALA 25 -11.279 -4.746 1.929
131 HB1 ALA 25 HB1 ALA 25 -11.385 -3.200 3.920
132 HB2 ALA 25 HB2 ALA 25 -11.257 -1.814 2.820
133 HB3 ALA 25 HB3 ALA 25 -12.675 -2.881 2.749
134 H ARG 26 H ARG 26 -13.103 -3.444 0.515
135 HA ARG 26 HA ARG 26 -11.995 -1.797 -1.620
136 HB2 ARG 26 HB2 ARG 26 -11.389 -4.070 -2.334
137 HB3 ARG 26 HB3 ARG 26 -13.039 -4.640 -2.032
138 HG2 ARG 26 HG2 ARG 26 -13.921 -3.367 -3.843
139 HG3 ARG 26 HG3 ARG 26 -12.395 -2.503 -4.078
140 HD2 ARG 26 HD2 ARG 26 -11.303 -4.603 -4.743
141 HD3 ARG 26 HD3 ARG 26 -12.753 -5.524 -4.328
142 HE ARG 26 HE ARG 26 -13.778 -4.877 -6.249
143 HH11 ARG 26 HH11 ARG 26 -10.846 -2.835 -5.807
144 HH12 ARG 26 HH12 ARG 26 -11.135 -1.962 -7.272
145 HH21 ARG 26 HH21 ARG 26 -13.969 -3.762 -8.277
146 HH22 ARG 26 HH22 ARG 26 -12.831 -2.488 -8.676
Start of MODEL 3
1 H1 GLY 1 H GLY 1 5.752 -8.541 10.029
2 HA2 GLY 1 HA2 GLY 1 5.946 -7.551 12.270
3 HA3 GLY 1 HA3 GLY 1 7.317 -6.609 11.651
4 H SER 2 H SER 2 6.614 -4.502 11.341
5 HA SER 2 HA SER 2 3.984 -4.051 10.008
6 HB2 SER 2 HB2 SER 2 5.415 -2.192 11.936
7 HB3 SER 2 HB3 SER 2 3.803 -1.989 11.250
8 HG SER 2 HG SER 2 3.911 -2.852 13.451
9 H GLY 3 H GLY 3 4.248 -1.506 9.131
10 HA2 GLY 3 HA2 GLY 3 5.570 -0.027 7.829
11 HA3 GLY 3 HA3 GLY 3 6.876 -1.224 7.748
12 H CYS 4 H CYS 4 6.684 -0.578 5.301
13 HA CYS 4 HA CYS 4 5.165 -2.609 3.895
14 HB2 CYS 4 HB2 CYS 4 3.579 -0.659 4.523
15 HB3 CYS 4 HB3 CYS 4 4.451 0.274 3.298
16 H ASP 5 H ASP 5 5.746 -2.731 1.776
17 HA ASP 5 HA ASP 5 7.892 -0.908 0.771
18 HB2 ASP 5 HB2 ASP 5 7.902 -3.878 0.251
19 HB3 ASP 5 HB3 ASP 5 9.222 -2.738 0.071
20 H ASP 6 H ASP 6 8.372 -1.738 -1.639
21 HA ASP 6 HA ASP 6 6.172 -0.981 -3.211
22 HB2 ASP 6 HB2 ASP 6 8.446 -0.642 -3.899
23 HB3 ASP 6 HB3 ASP 6 8.673 -2.391 -4.109
24 H LYS 7 H LYS 7 7.260 -4.244 -2.276
25 HA LYS 7 HA LYS 7 5.793 -5.697 -4.182
26 HB2 LYS 7 HB2 LYS 7 6.011 -7.575 -2.841
27 HB3 LYS 7 HB3 LYS 7 7.427 -6.590 -2.463
28 HG2 LYS 7 HG2 LYS 7 6.280 -5.835 -0.351
29 HG3 LYS 7 HG3 LYS 7 4.906 -6.858 -0.774
30 HD2 LYS 7 HD2 LYS 7 5.957 -8.237 0.658
31 HD3 LYS 7 HD3 LYS 7 6.665 -8.826 -0.843
32 HE2 LYS 7 HE2 LYS 7 8.077 -6.610 0.674
33 HE3 LYS 7 HE3 LYS 7 8.033 -8.198 1.414
34 HZ1 LYS 7 HZ1 LYS 7 10.004 -7.844 0.126
35 HZ2 LYS 7 HZ2 LYS 7 9.183 -7.698 -1.271
36 HZ3 LYS 7 HZ3 LYS 7 9.156 -9.131 -0.459
37 H CYS 8 H CYS 8 4.650 -3.806 -1.531
38 HA CYS 8 HA CYS 8 1.939 -4.956 -1.634
39 HB2 CYS 8 HB2 CYS 8 3.057 -4.455 0.500
40 HB3 CYS 8 HB3 CYS 8 3.159 -2.765 0.020
41 H GLY 9 H GLY 9 3.380 -2.754 -3.852
42 HA2 GLY 9 HA2 GLY 9 2.350 -1.319 -5.273
43 HA3 GLY 9 HA3 GLY 9 0.777 -1.703 -4.535
44 H CYS 10 H CYS 10 3.869 -0.327 -3.563
45 HA CYS 10 HA CYS 10 2.671 2.165 -2.657
46 HB2 CYS 10 HB2 CYS 10 4.131 0.557 -0.557
47 HB3 CYS 10 HB3 CYS 10 3.093 2.009 -0.404
48 H ALA 11 H ALA 11 4.182 3.803 -2.822
49 HA ALA 11 HA ALA 11 6.855 3.241 -3.634
50 HB1 ALA 11 HB1 ALA 11 5.519 5.301 -4.271
51 HB2 ALA 11 HB2 ALA 11 5.854 5.928 -2.630
52 HB3 ALA 11 HB3 ALA 11 7.178 5.601 -3.748
53 H VAL 12 H VAL 12 8.630 4.827 -2.228
54 HA VAL 12 HA VAL 12 8.502 3.750 0.539
55 HB VAL 12 HB VAL 12 10.975 4.088 -1.139
56 HG11 VAL 12 HG11 VAL 12 10.424 2.828 1.598
57 HG12 VAL 12 HG12 VAL 12 11.953 2.698 0.707
58 HG13 VAL 12 HG13 VAL 12 11.402 4.275 1.272
59 HG21 VAL 12 HG21 VAL 12 11.014 1.650 -1.236
60 HG22 VAL 12 HG22 VAL 12 9.424 1.545 -0.420
61 HG23 VAL 12 HG23 VAL 12 9.574 2.238 -2.046
62 HA PRO 13 HA PRO 13 7.630 4.522 2.199
63 HB2 PRO 13 HB2 PRO 13 6.187 6.179 3.685
64 HB3 PRO 13 HB3 PRO 13 7.929 5.983 3.979
65 HG2 PRO 13 HG2 PRO 13 6.575 8.200 2.422
66 HG3 PRO 13 HG3 PRO 13 7.800 8.354 3.724
67 HD2 PRO 13 HD2 PRO 13 8.374 8.311 1.039
68 HD3 PRO 13 HD3 PRO 13 9.541 7.778 2.281
69 H CYS 14 H CYS 14 5.218 4.289 2.292
70 HA CYS 14 HA CYS 14 4.040 4.203 -0.183
71 HB2 CYS 14 HB2 CYS 14 3.414 3.010 1.917
72 HB3 CYS 14 HB3 CYS 14 2.660 4.492 2.510
73 HA PRO 15 HA PRO 15 2.994 8.493 -0.932
74 HB2 PRO 15 HB2 PRO 15 1.209 8.269 -3.019
75 HB3 PRO 15 HB3 PRO 15 2.977 8.043 -3.186
76 HG2 PRO 15 HG2 PRO 15 0.835 5.930 -2.841
77 HG3 PRO 15 HG3 PRO 15 2.181 5.961 -4.029
78 HD2 PRO 15 HD2 PRO 15 2.393 4.543 -1.737
79 HD3 PRO 15 HD3 PRO 15 3.780 5.472 -2.368
80 H GLY 16 H GLY 16 0.512 6.108 -0.421
81 HA2 GLY 16 HA2 GLY 16 -1.277 6.107 0.970
82 HA3 GLY 16 HA3 GLY 16 -1.041 7.816 1.331
83 H GLY 17 H GLY 17 -1.207 8.722 -1.481
84 HA2 GLY 17 HA2 GLY 17 -4.086 8.837 -1.718
85 HA3 GLY 17 HA3 GLY 17 -2.874 9.631 -2.734
86 H THR 18 H THR 18 -3.922 9.135 -4.636
87 HA THR 18 HA THR 18 -5.167 6.963 -5.628
88 HB THR 18 HB THR 18 -4.324 7.773 -7.874
89 HG1 THR 18 HG1 THR 18 -3.170 9.870 -7.643
90 HG21 THR 18 HG21 THR 18 -6.343 8.741 -6.787
91 HG22 THR 18 HG22 THR 18 -5.448 9.958 -7.721
92 HG23 THR 18 HG23 THR 18 -5.332 9.934 -5.958
93 H GLY 19 H GLY 19 -1.644 7.314 -5.386
94 HA2 GLY 19 HA2 GLY 19 -0.967 4.977 -6.889
95 HA3 GLY 19 HA3 GLY 19 0.085 5.955 -5.870
96 H CYS 20 H CYS 20 -2.778 4.568 -4.157
97 HA CYS 20 HA CYS 20 -0.975 2.406 -3.226
98 HB2 CYS 20 HB2 CYS 20 -1.171 4.391 -1.568
99 HB3 CYS 20 HB3 CYS 20 -2.902 3.970 -1.496
100 H ARG 21 H ARG 21 -1.923 0.674 -2.503
101 HA ARG 21 HA ARG 21 -4.870 0.238 -3.009
102 HB2 ARG 21 HB2 ARG 21 -2.404 -1.300 -3.885
103 HB3 ARG 21 HB3 ARG 21 -3.915 -2.160 -3.711
104 HG2 ARG 21 HG2 ARG 21 -3.937 0.374 -5.362
105 HG3 ARG 21 HG3 ARG 21 -3.220 -1.095 -6.023
106 HD2 ARG 21 HD2 ARG 21 -5.348 -2.334 -5.435
107 HD3 ARG 21 HD3 ARG 21 -6.046 -0.787 -4.948
108 HE ARG 21 HE ARG 21 -6.476 -0.331 -7.106
109 HH11 ARG 21 HH11 ARG 21 -3.827 -2.719 -7.185
110 HH12 ARG 21 HH12 ARG 21 -4.011 -3.065 -8.873
111 HH21 ARG 21 HH21 ARG 21 -6.774 -0.827 -9.241
112 HH22 ARG 21 HH22 ARG 21 -5.630 -1.779 -10.132
113 H CYS 22 H CYS 22 -3.010 0.595 -0.517
114 HA CYS 22 HA CYS 22 -2.982 -1.882 0.936
115 HB2 CYS 22 HB2 CYS 22 -2.976 0.934 2.125
116 HB3 CYS 22 HB3 CYS 22 -2.813 -0.543 3.024
117 H THR 23 H THR 23 -5.545 0.441 0.396
118 HA THR 23 HA THR 23 -7.194 -0.422 2.566
119 HB THR 23 HB THR 23 -7.410 1.738 1.605
120 HG1 THR 23 HG1 THR 23 -9.752 0.409 0.831
121 HG21 THR 23 HG21 THR 23 -8.126 2.349 -0.520
122 HG22 THR 23 HG22 THR 23 -8.540 0.702 -1.004
123 HG23 THR 23 HG23 THR 23 -6.843 1.205 -0.855
124 H SER 24 H SER 24 -7.827 -2.533 2.765
125 HA SER 24 HA SER 24 -8.043 -4.306 0.508
126 HB2 SER 24 HB2 SER 24 -9.011 -5.785 2.453
127 HB3 SER 24 HB3 SER 24 -7.307 -5.352 2.418
128 HG SER 24 HG SER 24 -8.204 -5.098 4.461
129 H ALA 25 H ALA 25 -10.242 -5.709 0.578
130 HA ALA 25 HA ALA 25 -12.525 -3.814 0.443
131 HB1 ALA 25 HB1 ALA 25 -11.860 -6.068 -1.482
132 HB2 ALA 25 HB2 ALA 25 -13.340 -5.086 -1.492
133 HB3 ALA 25 HB3 ALA 25 -11.777 -4.325 -1.839
134 H ARG 26 H ARG 26 -13.036 -4.354 2.522
135 HA ARG 26 HA ARG 26 -13.939 -5.493 4.255
136 HB2 ARG 26 HB2 ARG 26 -15.798 -5.201 2.623
137 HB3 ARG 26 HB3 ARG 26 -15.516 -6.846 2.042
138 HG2 ARG 26 HG2 ARG 26 -16.098 -7.737 4.310
139 HG3 ARG 26 HG3 ARG 26 -16.356 -6.060 4.880
140 HD2 ARG 26 HD2 ARG 26 -17.957 -5.725 3.002
141 HD3 ARG 26 HD3 ARG 26 -17.779 -7.435 2.555
142 HE ARG 26 HE ARG 26 -18.611 -7.419 5.227
143 HH11 ARG 26 HH11 ARG 26 -19.782 -6.229 2.065
144 HH12 ARG 26 HH12 ARG 26 -21.446 -6.315 2.513
145 HH21 ARG 26 HH21 ARG 26 -20.900 -7.245 5.847
146 HH22 ARG 26 HH22 ARG 26 -22.074 -6.874 4.627
Start of MODEL 4
1 H1 GLY 1 H GLY 1 3.122 -1.729 11.287
2 HA2 GLY 1 HA2 GLY 1 1.834 -1.104 9.236
3 HA3 GLY 1 HA3 GLY 1 2.031 0.561 9.766
4 H SER 2 H SER 2 4.958 -1.171 10.507
5 HA SER 2 HA SER 2 6.377 0.257 8.459
6 HB2 SER 2 HB2 SER 2 7.137 -0.021 10.804
7 HB3 SER 2 HB3 SER 2 7.168 -1.781 10.592
8 HG SER 2 HG SER 2 9.010 0.090 9.979
9 H GLY 3 H GLY 3 8.261 -1.180 7.468
10 HA2 GLY 3 HA2 GLY 3 8.869 -2.615 5.790
11 HA3 GLY 3 HA3 GLY 3 7.939 -3.835 6.667
12 H CYS 4 H CYS 4 6.743 -0.858 5.016
13 HA CYS 4 HA CYS 4 4.673 -2.480 3.719
14 HB2 CYS 4 HB2 CYS 4 4.583 0.021 4.492
15 HB3 CYS 4 HB3 CYS 4 5.373 0.337 2.944
16 H ASP 5 H ASP 5 4.408 -2.675 1.431
17 HA ASP 5 HA ASP 5 6.881 -2.449 -0.172
18 HB2 ASP 5 HB2 ASP 5 6.481 -4.773 1.043
19 HB3 ASP 5 HB3 ASP 5 5.153 -4.928 -0.129
20 H ASP 6 H ASP 6 6.345 -3.125 -2.394
21 HA ASP 6 HA ASP 6 4.190 -1.584 -3.533
22 HB2 ASP 6 HB2 ASP 6 6.340 -1.867 -4.682
23 HB3 ASP 6 HB3 ASP 6 6.103 -3.618 -4.720
24 H LYS 7 H LYS 7 4.719 -4.994 -2.612
25 HA LYS 7 HA LYS 7 2.549 -6.077 -4.111
26 HB2 LYS 7 HB2 LYS 7 2.425 -7.931 -2.596
27 HB3 LYS 7 HB3 LYS 7 4.093 -7.583 -3.018
28 HG2 LYS 7 HG2 LYS 7 4.715 -7.146 -0.876
29 HG3 LYS 7 HG3 LYS 7 3.208 -6.347 -0.453
30 HD2 LYS 7 HD2 LYS 7 3.511 -8.377 0.851
31 HD3 LYS 7 HD3 LYS 7 2.068 -8.486 -0.165
32 HE2 LYS 7 HE2 LYS 7 3.262 -9.898 -1.782
33 HE3 LYS 7 HE3 LYS 7 4.774 -9.694 -0.876
34 HZ1 LYS 7 HZ1 LYS 7 2.379 -11.065 0.219
35 HZ2 LYS 7 HZ2 LYS 7 3.862 -10.942 0.922
36 HZ3 LYS 7 HZ3 LYS 7 3.674 -11.796 -0.451
37 H CYS 8 H CYS 8 2.579 -4.202 -1.158
38 HA CYS 8 HA CYS 8 -0.213 -4.622 -0.519
39 HB2 CYS 8 HB2 CYS 8 1.642 -4.300 1.084
40 HB3 CYS 8 HB3 CYS 8 1.915 -2.680 0.446
41 H GLY 9 H GLY 9 0.915 -2.956 -3.221
42 HA2 GLY 9 HA2 GLY 9 -0.007 -1.334 -4.488
43 HA3 GLY 9 HA3 GLY 9 -1.454 -1.417 -3.451
44 H CYS 10 H CYS 10 1.938 -0.687 -3.067
45 HA CYS 10 HA CYS 10 1.393 2.039 -2.080
46 HB2 CYS 10 HB2 CYS 10 2.948 0.078 -0.312
47 HB3 CYS 10 HB3 CYS 10 2.555 1.768 -0.006
48 H ALA 11 H ALA 11 2.931 3.359 -2.785
49 HA ALA 11 HA ALA 11 5.241 2.411 -4.138
50 HB1 ALA 11 HB1 ALA 11 5.882 4.768 -4.312
51 HB2 ALA 11 HB2 ALA 11 4.168 4.572 -4.664
52 HB3 ALA 11 HB3 ALA 11 4.697 5.215 -3.083
53 H VAL 12 H VAL 12 7.527 3.309 -3.466
54 HA VAL 12 HA VAL 12 8.010 2.704 -0.585
55 HB VAL 12 HB VAL 12 9.591 2.132 -3.106
56 HG11 VAL 12 HG11 VAL 12 11.149 2.796 -1.244
57 HG12 VAL 12 HG12 VAL 12 10.464 1.467 -0.274
58 HG13 VAL 12 HG13 VAL 12 11.329 1.129 -1.779
59 HG21 VAL 12 HG21 VAL 12 9.360 -0.235 -2.340
60 HG22 VAL 12 HG22 VAL 12 8.358 0.313 -0.994
61 HG23 VAL 12 HG23 VAL 12 7.782 0.508 -2.666
62 HA PRO 13 HA PRO 13 8.124 3.920 1.120
63 HB2 PRO 13 HB2 PRO 13 7.657 6.150 2.560
64 HB3 PRO 13 HB3 PRO 13 9.305 5.541 2.310
65 HG2 PRO 13 HG2 PRO 13 7.937 7.798 0.857
66 HG3 PRO 13 HG3 PRO 13 9.603 7.728 1.482
67 HD2 PRO 13 HD2 PRO 13 8.863 7.184 -1.164
68 HD3 PRO 13 HD3 PRO 13 10.319 6.535 -0.363
69 H CYS 14 H CYS 14 5.952 3.961 2.053
70 HA CYS 14 HA CYS 14 3.953 4.288 0.046
71 HB2 CYS 14 HB2 CYS 14 3.793 2.611 1.799
72 HB3 CYS 14 HB3 CYS 14 3.665 3.845 3.032
73 HA PRO 15 HA PRO 15 3.040 8.660 0.705
74 HB2 PRO 15 HB2 PRO 15 0.771 8.890 -0.869
75 HB3 PRO 15 HB3 PRO 15 2.444 8.780 -1.508
76 HG2 PRO 15 HG2 PRO 15 0.420 6.551 -1.123
77 HG3 PRO 15 HG3 PRO 15 1.349 6.954 -2.594
78 HD2 PRO 15 HD2 PRO 15 2.218 5.019 -0.943
79 HD3 PRO 15 HD3 PRO 15 3.392 6.192 -1.605
80 H GLY 16 H GLY 16 0.702 6.132 1.266
81 HA2 GLY 16 HA2 GLY 16 -0.609 5.866 3.184
82 HA3 GLY 16 HA3 GLY 16 -0.440 7.581 3.589
83 H GLY 17 H GLY 17 -1.469 9.070 1.829
84 HA2 GLY 17 HA2 GLY 17 -4.258 8.341 1.560
85 HA3 GLY 17 HA3 GLY 17 -3.473 9.858 1.096
86 H THR 18 H THR 18 -4.535 10.020 -0.745
87 HA THR 18 HA THR 18 -5.405 8.581 -2.706
88 HB THR 18 HB THR 18 -3.809 11.130 -2.880
89 HG1 THR 18 HG1 THR 18 -5.525 12.016 -2.043
90 HG21 THR 18 HG21 THR 18 -5.958 10.015 -4.747
91 HG22 THR 18 HG22 THR 18 -4.281 10.454 -5.157
92 HG23 THR 18 HG23 THR 18 -5.437 11.717 -4.724
93 H GLY 19 H GLY 19 -4.556 6.774 -3.381
94 HA2 GLY 19 HA2 GLY 19 -3.226 6.035 -5.406
95 HA3 GLY 19 HA3 GLY 19 -1.811 6.722 -4.578
96 H CYS 20 H CYS 20 -2.911 5.721 -1.877
97 HA CYS 20 HA CYS 20 -1.584 3.127 -2.101
98 HB2 CYS 20 HB2 CYS 20 -1.198 4.819 -0.252
99 HB3 CYS 20 HB3 CYS 20 -2.880 4.586 0.209
100 H ARG 21 H ARG 21 -2.428 1.123 -1.490
101 HA ARG 21 HA ARG 21 -5.401 0.813 -1.287
102 HB2 ARG 21 HB2 ARG 21 -3.270 -1.013 -2.430
103 HB3 ARG 21 HB3 ARG 21 -4.961 -1.449 -2.272
104 HG2 ARG 21 HG2 ARG 21 -5.632 -0.303 -4.070
105 HG3 ARG 21 HG3 ARG 21 -4.642 1.116 -3.699
106 HD2 ARG 21 HD2 ARG 21 -2.643 0.009 -4.543
107 HD3 ARG 21 HD3 ARG 21 -3.580 -1.449 -4.938
108 HE ARG 21 HE ARG 21 -3.556 1.166 -6.303
109 HH11 ARG 21 HH11 ARG 21 -5.439 -1.875 -6.050
110 HH12 ARG 21 HH12 ARG 21 -5.839 -1.894 -7.720
111 HH21 ARG 21 HH21 ARG 21 -4.279 1.256 -8.411
112 HH22 ARG 21 HH22 ARG 21 -5.190 -0.042 -9.103
113 H CYS 22 H CYS 22 -3.164 1.085 0.856
114 HA CYS 22 HA CYS 22 -2.880 -1.447 2.267
115 HB2 CYS 22 HB2 CYS 22 -3.055 1.332 3.542
116 HB3 CYS 22 HB3 CYS 22 -2.751 -0.153 4.402
117 H THR 23 H THR 23 -5.345 1.173 2.453
118 HA THR 23 HA THR 23 -6.963 -0.069 4.420
119 HB THR 23 HB THR 23 -6.833 2.322 3.909
120 HG1 THR 23 HG1 THR 23 -8.591 2.159 4.950
121 HG21 THR 23 HG21 THR 23 -6.938 2.097 1.299
122 HG22 THR 23 HG22 THR 23 -7.817 3.414 2.072
123 HG23 THR 23 HG23 THR 23 -8.679 1.959 1.540
124 H SER 24 H SER 24 -7.317 0.049 0.861
125 HA SER 24 HA SER 24 -9.608 -1.362 0.431
126 HB2 SER 24 HB2 SER 24 -8.251 -0.037 -1.217
127 HB3 SER 24 HB3 SER 24 -7.101 -1.369 -1.290
128 HG SER 24 HG SER 24 -9.561 -1.077 -2.503
129 H ALA 25 H ALA 25 -9.934 -3.144 1.682
130 HA ALA 25 HA ALA 25 -8.166 -5.524 1.359
131 HB1 ALA 25 HB1 ALA 25 -9.157 -6.305 3.489
132 HB2 ALA 25 HB2 ALA 25 -8.325 -4.756 3.699
133 HB3 ALA 25 HB3 ALA 25 -10.104 -4.809 3.605
134 H ARG 26 H ARG 26 -9.641 -7.607 1.481
135 HA ARG 26 HA ARG 26 -11.534 -7.380 -0.706
136 HB2 ARG 26 HB2 ARG 26 -10.739 -9.684 1.106
137 HB3 ARG 26 HB3 ARG 26 -11.972 -9.813 -0.164
138 HG2 ARG 26 HG2 ARG 26 -10.364 -9.104 -1.880
139 HG3 ARG 26 HG3 ARG 26 -9.111 -8.866 -0.655
140 HD2 ARG 26 HD2 ARG 26 -8.685 -10.966 -1.737
141 HD3 ARG 26 HD3 ARG 26 -9.217 -11.263 -0.079
142 HE ARG 26 HE ARG 26 -11.067 -12.360 -0.829
143 HH11 ARG 26 HH11 ARG 26 -9.771 -10.497 -3.620
144 HH12 ARG 26 HH12 ARG 26 -10.653 -11.420 -4.779
145 HH21 ARG 26 HH21 ARG 26 -12.403 -13.353 -2.397
146 HH22 ARG 26 HH22 ARG 26 -12.095 -13.139 -4.088
Start of MODEL 5
1 H1 GLY 1 H GLY 1 13.487 -0.288 8.001
2 HA2 GLY 1 HA2 GLY 1 11.907 -0.362 6.126
3 HA3 GLY 1 HA3 GLY 1 12.520 -1.980 5.770
4 H SER 2 H SER 2 10.756 -0.062 8.274
5 HA SER 2 HA SER 2 9.350 -2.564 9.058
6 HB2 SER 2 HB2 SER 2 10.133 -0.294 10.891
7 HB3 SER 2 HB3 SER 2 9.229 -1.742 11.341
8 HG SER 2 HG SER 2 11.770 -1.357 11.481
9 H GLY 3 H GLY 3 7.268 -2.334 8.557
10 HA2 GLY 3 HA2 GLY 3 5.278 -0.804 9.159
11 HA3 GLY 3 HA3 GLY 3 6.089 0.372 8.097
12 H CYS 4 H CYS 4 6.806 -0.533 5.881
13 HA CYS 4 HA CYS 4 5.402 -2.788 4.870
14 HB2 CYS 4 HB2 CYS 4 3.836 -0.486 4.929
15 HB3 CYS 4 HB3 CYS 4 4.585 -0.430 3.332
16 H ASP 5 H ASP 5 5.720 -2.924 2.368
17 HA ASP 5 HA ASP 5 7.928 -1.422 1.258
18 HB2 ASP 5 HB2 ASP 5 7.818 -4.469 1.561
19 HB3 ASP 5 HB3 ASP 5 9.000 -3.589 0.601
20 H ASP 6 H ASP 6 8.175 -2.630 -0.953
21 HA ASP 6 HA ASP 6 5.792 -2.279 -2.494
22 HB2 ASP 6 HB2 ASP 6 7.299 -3.061 -4.369
23 HB3 ASP 6 HB3 ASP 6 7.911 -1.687 -3.437
24 H LYS 7 H LYS 7 7.248 -5.103 -0.930
25 HA LYS 7 HA LYS 7 6.123 -7.190 -2.503
26 HB2 LYS 7 HB2 LYS 7 6.557 -7.092 0.526
27 HB3 LYS 7 HB3 LYS 7 5.970 -8.494 -0.347
28 HG2 LYS 7 HG2 LYS 7 8.130 -9.052 -0.158
29 HG3 LYS 7 HG3 LYS 7 8.121 -8.354 -1.769
30 HD2 LYS 7 HD2 LYS 7 9.642 -6.774 -1.191
31 HD3 LYS 7 HD3 LYS 7 8.738 -6.317 0.247
32 HE2 LYS 7 HE2 LYS 7 10.919 -7.067 0.920
33 HE3 LYS 7 HE3 LYS 7 9.712 -8.211 1.520
34 HZ1 LYS 7 HZ1 LYS 7 10.394 -9.773 -0.149
35 HZ2 LYS 7 HZ2 LYS 7 11.726 -9.209 0.571
36 HZ3 LYS 7 HZ3 LYS 7 11.344 -8.640 -0.918
37 H CYS 8 H CYS 8 4.698 -5.134 -0.045
38 HA CYS 8 HA CYS 8 2.156 -6.511 0.032
39 HB2 CYS 8 HB2 CYS 8 2.985 -5.422 1.953
40 HB3 CYS 8 HB3 CYS 8 3.190 -3.897 1.087
41 H GLY 9 H GLY 9 3.405 -4.749 -2.616
42 HA2 GLY 9 HA2 GLY 9 2.282 -3.962 -4.405
43 HA3 GLY 9 HA3 GLY 9 0.726 -4.346 -3.621
44 H CYS 10 H CYS 10 3.597 -2.296 -3.016
45 HA CYS 10 HA CYS 10 1.784 -0.002 -2.811
46 HB2 CYS 10 HB2 CYS 10 3.765 -0.312 -0.572
47 HB3 CYS 10 HB3 CYS 10 2.278 0.737 -0.746
48 H ALA 11 H ALA 11 2.494 1.944 -3.344
49 HA ALA 11 HA ALA 11 4.951 2.218 -4.771
50 HB1 ALA 11 HB1 ALA 11 3.009 4.288 -3.606
51 HB2 ALA 11 HB2 ALA 11 4.307 4.647 -4.746
52 HB3 ALA 11 HB3 ALA 11 2.966 3.614 -5.257
53 H VAL 12 H VAL 12 6.640 3.912 -4.057
54 HA VAL 12 HA VAL 12 7.058 3.824 -1.103
55 HB VAL 12 HB VAL 12 9.174 3.600 -3.240
56 HG11 VAL 12 HG11 VAL 12 9.995 4.839 -1.272
57 HG12 VAL 12 HG12 VAL 12 9.333 3.587 -0.187
58 HG13 VAL 12 HG13 VAL 12 10.674 3.212 -1.287
59 HG21 VAL 12 HG21 VAL 12 8.422 1.544 -1.150
60 HG22 VAL 12 HG22 VAL 12 7.797 1.470 -2.819
61 HG23 VAL 12 HG23 VAL 12 9.526 1.360 -2.517
62 HA PRO 13 HA PRO 13 6.914 5.128 0.465
63 HB2 PRO 13 HB2 PRO 13 5.542 7.120 1.637
64 HB3 PRO 13 HB3 PRO 13 7.328 7.217 1.467
65 HG2 PRO 13 HG2 PRO 13 5.221 8.426 -0.374
66 HG3 PRO 13 HG3 PRO 13 6.601 9.229 0.424
67 HD2 PRO 13 HD2 PRO 13 6.759 8.276 -2.154
68 HD3 PRO 13 HD3 PRO 13 8.170 8.198 -1.051
69 H CYS 14 H CYS 14 4.705 4.483 1.336
70 HA CYS 14 HA CYS 14 2.830 4.238 -0.890
71 HB2 CYS 14 HB2 CYS 14 3.199 2.332 0.332
72 HB3 CYS 14 HB3 CYS 14 3.069 3.146 1.889
73 HA PRO 15 HA PRO 15 0.615 7.877 0.445
74 HB2 PRO 15 HB2 PRO 15 -1.809 7.486 -0.848
75 HB3 PRO 15 HB3 PRO 15 -0.315 8.109 -1.619
76 HG2 PRO 15 HG2 PRO 15 -1.403 5.278 -1.604
77 HG3 PRO 15 HG3 PRO 15 -0.732 6.196 -2.986
78 HD2 PRO 15 HD2 PRO 15 0.768 4.394 -1.631
79 HD3 PRO 15 HD3 PRO 15 1.486 5.920 -2.221
80 H GLY 16 H GLY 16 -1.302 4.864 0.483
81 HA2 GLY 16 HA2 GLY 16 -1.947 3.787 2.513
82 HA3 GLY 16 HA3 GLY 16 -1.939 5.323 3.358
83 H GLY 17 H GLY 17 -3.627 6.735 1.285
84 HA2 GLY 17 HA2 GLY 17 -6.208 5.852 2.267
85 HA3 GLY 17 HA3 GLY 17 -5.854 7.191 1.164
86 H THR 18 H THR 18 -7.566 6.646 -0.199
87 HA THR 18 HA THR 18 -8.290 4.264 -1.314
88 HB THR 18 HB THR 18 -8.619 6.245 -3.338
89 HG1 THR 18 HG1 THR 18 -9.303 7.376 -0.839
90 HG21 THR 18 HG21 THR 18 -10.479 5.504 -1.043
91 HG22 THR 18 HG22 THR 18 -10.311 4.609 -2.569
92 HG23 THR 18 HG23 THR 18 -10.948 6.261 -2.579
93 H GLY 19 H GLY 19 -5.454 6.188 -2.257
94 HA2 GLY 19 HA2 GLY 19 -4.983 4.780 -4.738
95 HA3 GLY 19 HA3 GLY 19 -3.890 5.888 -3.903
96 H CYS 20 H CYS 20 -5.136 3.188 -1.991
97 HA CYS 20 HA CYS 20 -2.861 1.475 -2.608
98 HB2 CYS 20 HB2 CYS 20 -1.946 3.036 -0.884
99 HB3 CYS 20 HB3 CYS 20 -3.289 2.612 0.193
100 H ARG 21 H ARG 21 -3.081 -0.610 -1.670
101 HA ARG 21 HA ARG 21 -5.949 -1.219 -0.914
102 HB2 ARG 21 HB2 ARG 21 -3.941 -2.796 -2.460
103 HB3 ARG 21 HB3 ARG 21 -5.412 -3.514 -1.801
104 HG2 ARG 21 HG2 ARG 21 -6.827 -2.351 -3.229
105 HG3 ARG 21 HG3 ARG 21 -5.749 -0.958 -3.360
106 HD2 ARG 21 HD2 ARG 21 -5.659 -2.052 -5.459
107 HD3 ARG 21 HD3 ARG 21 -4.120 -2.327 -4.591
108 HE ARG 21 HE ARG 21 -5.952 -4.455 -4.052
109 HH11 ARG 21 HH11 ARG 21 -4.048 -3.187 -6.801
110 HH12 ARG 21 HH12 ARG 21 -3.995 -4.734 -7.608
111 HH21 ARG 21 HH21 ARG 21 -5.692 -6.516 -5.096
112 HH22 ARG 21 HH22 ARG 21 -4.685 -6.668 -6.485
113 H CYS 22 H CYS 22 -3.222 -0.845 0.603
114 HA CYS 22 HA CYS 22 -2.951 -3.090 2.405
115 HB2 CYS 22 HB2 CYS 22 -2.674 -0.169 3.255
116 HB3 CYS 22 HB3 CYS 22 -2.149 -1.555 4.171
117 H THR 23 H THR 23 -5.493 -0.720 2.183
118 HA THR 23 HA THR 23 -6.754 -1.564 4.714
119 HB THR 23 HB THR 23 -5.945 0.709 4.836
120 HG1 THR 23 HG1 THR 23 -8.129 0.233 5.599
121 HG21 THR 23 HG21 THR 23 -7.512 1.308 2.289
122 HG22 THR 23 HG22 THR 23 -5.740 1.342 2.462
123 HG23 THR 23 HG23 THR 23 -6.726 2.506 3.331
124 H SER 24 H SER 24 -6.739 -2.640 1.805
125 HA SER 24 HA SER 24 -8.060 -3.370 0.224
126 HB2 SER 24 HB2 SER 24 -9.902 -3.732 2.593
127 HB3 SER 24 HB3 SER 24 -10.016 -4.586 1.032
128 HG SER 24 HG SER 24 -8.736 -5.576 2.828
129 H ALA 25 H ALA 25 -8.132 -0.505 0.194
130 HA ALA 25 HA ALA 25 -10.889 0.305 -0.259
131 HB1 ALA 25 HB1 ALA 25 -8.256 1.587 -1.146
132 HB2 ALA 25 HB2 ALA 25 -9.861 2.342 -1.208
133 HB3 ALA 25 HB3 ALA 25 -9.133 1.955 0.368
134 H ARG 26 H ARG 26 -11.779 0.759 -2.425
135 HA ARG 26 HA ARG 26 -11.001 -1.296 -4.363
136 HB2 ARG 26 HB2 ARG 26 -13.191 0.823 -4.476
137 HB3 ARG 26 HB3 ARG 26 -12.904 -0.457 -5.670
138 HG2 ARG 26 HG2 ARG 26 -13.188 -2.167 -3.837
139 HG3 ARG 26 HG3 ARG 26 -13.660 -0.849 -2.744
140 HD2 ARG 26 HD2 ARG 26 -15.564 -0.304 -4.274
141 HD3 ARG 26 HD3 ARG 26 -15.073 -1.679 -5.304
142 HE ARG 26 HE ARG 26 -15.355 -2.578 -2.639
143 HH11 ARG 26 HH11 ARG 26 -17.490 -1.579 -5.320
144 HH12 ARG 26 HH12 ARG 26 -18.760 -2.678 -4.869
145 HH21 ARG 26 HH21 ARG 26 -16.899 -4.068 -2.160
146 HH22 ARG 26 HH22 ARG 26 -18.308 -4.278 -3.170
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.138 4.512 8.149
2 HA2 GLY 1 HA2 GLY 1 1.752 2.255 8.888
3 HA3 GLY 1 HA3 GLY 1 2.401 2.616 7.271
4 H SER 2 H SER 2 3.402 0.831 9.600
5 HA SER 2 HA SER 2 5.807 2.114 10.566
6 HB2 SER 2 HB2 SER 2 4.973 -0.804 10.541
7 HB3 SER 2 HB3 SER 2 6.279 -0.108 11.505
8 HG SER 2 HG SER 2 4.813 0.404 12.907
9 H GLY 3 H GLY 3 5.595 -0.867 8.439
10 HA2 GLY 3 HA2 GLY 3 7.663 0.330 6.674
11 HA3 GLY 3 HA3 GLY 3 7.963 -1.219 7.499
12 H CYS 4 H CYS 4 7.589 -0.628 4.532
13 HA CYS 4 HA CYS 4 5.946 -2.897 3.896
14 HB2 CYS 4 HB2 CYS 4 4.248 -1.124 4.467
15 HB3 CYS 4 HB3 CYS 4 4.906 -0.153 3.180
16 H ASP 5 H ASP 5 5.888 -3.296 1.599
17 HA ASP 5 HA ASP 5 7.818 -1.702 -0.014
18 HB2 ASP 5 HB2 ASP 5 8.739 -3.845 0.945
19 HB3 ASP 5 HB3 ASP 5 7.460 -4.721 0.084
20 H ASP 6 H ASP 6 7.689 -2.630 -2.305
21 HA ASP 6 HA ASP 6 5.256 -1.865 -3.566
22 HB2 ASP 6 HB2 ASP 6 7.555 -1.708 -4.602
23 HB3 ASP 6 HB3 ASP 6 7.573 -3.471 -4.714
24 H LYS 7 H LYS 7 6.646 -4.974 -2.558
25 HA LYS 7 HA LYS 7 5.052 -6.834 -3.923
26 HB2 LYS 7 HB2 LYS 7 5.886 -6.803 -0.984
27 HB3 LYS 7 HB3 LYS 7 5.079 -8.175 -1.751
28 HG2 LYS 7 HG2 LYS 7 6.966 -8.426 -3.306
29 HG3 LYS 7 HG3 LYS 7 7.785 -7.062 -2.529
30 HD2 LYS 7 HD2 LYS 7 8.786 -8.914 -1.511
31 HD3 LYS 7 HD3 LYS 7 7.566 -8.437 -0.334
32 HE2 LYS 7 HE2 LYS 7 6.035 -10.202 -1.461
33 HE3 LYS 7 HE3 LYS 7 7.470 -10.711 -2.354
34 HZ1 LYS 7 HZ1 LYS 7 7.170 -10.758 0.582
35 HZ2 LYS 7 HZ2 LYS 7 8.538 -11.213 -0.233
36 HZ3 LYS 7 HZ3 LYS 7 7.190 -12.074 -0.413
37 H CYS 8 H CYS 8 4.304 -5.000 -1.000
38 HA CYS 8 HA CYS 8 1.586 -5.882 -0.810
39 HB2 CYS 8 HB2 CYS 8 2.929 -5.542 1.088
40 HB3 CYS 8 HB3 CYS 8 3.274 -3.878 0.638
41 H GLY 9 H GLY 9 2.332 -4.125 -3.396
42 HA2 GLY 9 HA2 GLY 9 1.254 -2.734 -4.694
43 HA3 GLY 9 HA3 GLY 9 -0.184 -3.024 -3.689
44 H CYS 10 H CYS 10 2.938 -1.699 -3.228
45 HA CYS 10 HA CYS 10 1.737 1.021 -2.691
46 HB2 CYS 10 HB2 CYS 10 3.544 -0.260 -0.603
47 HB3 CYS 10 HB3 CYS 10 2.736 1.319 -0.512
48 H ALA 11 H ALA 11 2.935 2.810 -3.004
49 HA ALA 11 HA ALA 11 5.583 2.503 -4.048
50 HB1 ALA 11 HB1 ALA 11 3.991 4.286 -4.788
51 HB2 ALA 11 HB2 ALA 11 4.158 5.057 -3.202
52 HB3 ALA 11 HB3 ALA 11 5.557 4.905 -4.248
53 H VAL 12 H VAL 12 7.304 4.053 -3.009
54 HA VAL 12 HA VAL 12 7.425 3.813 -0.063
55 HB VAL 12 HB VAL 12 9.647 3.231 -2.050
56 HG11 VAL 12 HG11 VAL 12 10.869 2.487 -0.061
57 HG12 VAL 12 HG12 VAL 12 10.444 4.199 0.074
58 HG13 VAL 12 HG13 VAL 12 9.513 2.979 0.976
59 HG21 VAL 12 HG21 VAL 12 9.509 0.897 -1.212
60 HG22 VAL 12 HG22 VAL 12 8.032 1.321 -0.313
61 HG23 VAL 12 HG23 VAL 12 8.058 1.359 -2.095
62 HA PRO 13 HA PRO 13 7.673 5.351 1.540
63 HB2 PRO 13 HB2 PRO 13 6.349 7.584 2.368
64 HB3 PRO 13 HB3 PRO 13 8.135 7.487 2.337
65 HG2 PRO 13 HG2 PRO 13 6.292 8.709 0.246
66 HG3 PRO 13 HG3 PRO 13 7.748 9.415 0.993
67 HD2 PRO 13 HD2 PRO 13 7.825 8.155 -1.425
68 HD3 PRO 13 HD3 PRO 13 9.203 8.075 -0.295
69 H CYS 14 H CYS 14 5.466 4.948 2.455
70 HA CYS 14 HA CYS 14 3.717 4.043 0.414
71 HB2 CYS 14 HB2 CYS 14 3.866 3.091 2.691
72 HB3 CYS 14 HB3 CYS 14 2.993 4.503 3.322
73 HA PRO 15 HA PRO 15 1.876 8.007 -0.420
74 HB2 PRO 15 HB2 PRO 15 -0.176 7.266 -2.123
75 HB3 PRO 15 HB3 PRO 15 1.573 7.306 -2.543
76 HG2 PRO 15 HG2 PRO 15 -0.089 4.931 -1.738
77 HG3 PRO 15 HG3 PRO 15 1.073 5.063 -3.100
78 HD2 PRO 15 HD2 PRO 15 1.717 3.949 -0.678
79 HD3 PRO 15 HD3 PRO 15 2.908 4.862 -1.633
80 H GLY 16 H GLY 16 -0.103 5.389 0.817
81 HA2 GLY 16 HA2 GLY 16 -1.742 5.389 2.431
82 HA3 GLY 16 HA3 GLY 16 -1.536 7.142 2.644
83 H GLY 17 H GLY 17 -3.566 4.674 1.431
84 HA2 GLY 17 HA2 GLY 17 -5.648 4.814 0.439
85 HA3 GLY 17 HA3 GLY 17 -5.493 6.579 0.380
86 H THR 18 H THR 18 -4.317 7.540 -1.360
87 HA THR 18 HA THR 18 -4.917 6.757 -3.858
88 HB THR 18 HB THR 18 -2.368 8.253 -3.187
89 HG1 THR 18 HG1 THR 18 -5.070 9.129 -2.924
90 HG21 THR 18 HG21 THR 18 -2.880 7.993 -5.583
91 HG22 THR 18 HG22 THR 18 -3.056 9.678 -5.083
92 HG23 THR 18 HG23 THR 18 -4.505 8.679 -5.329
93 H GLY 19 H GLY 19 -4.554 4.800 -4.704
94 HA2 GLY 19 HA2 GLY 19 -3.378 3.107 -5.795
95 HA3 GLY 19 HA3 GLY 19 -1.929 4.132 -5.627
96 H CYS 20 H CYS 20 -3.328 3.456 -2.556
97 HA CYS 20 HA CYS 20 -1.131 1.552 -2.033
98 HB2 CYS 20 HB2 CYS 20 -1.463 3.628 -0.592
99 HB3 CYS 20 HB3 CYS 20 -3.035 2.939 -0.124
100 H ARG 21 H ARG 21 -1.662 -0.569 -2.098
101 HA ARG 21 HA ARG 21 -4.459 -1.402 -1.519
102 HB2 ARG 21 HB2 ARG 21 -2.101 -2.954 -2.674
103 HB3 ARG 21 HB3 ARG 21 -3.728 -3.550 -2.426
104 HG2 ARG 21 HG2 ARG 21 -3.806 -3.054 -4.660
105 HG3 ARG 21 HG3 ARG 21 -4.514 -1.600 -3.959
106 HD2 ARG 21 HD2 ARG 21 -2.233 -0.497 -4.190
107 HD3 ARG 21 HD3 ARG 21 -1.653 -1.955 -4.987
108 HE ARG 21 HE ARG 21 -3.687 0.002 -5.935
109 HH11 ARG 21 HH11 ARG 21 -1.845 -2.951 -6.760
110 HH12 ARG 21 HH12 ARG 21 -1.846 -2.620 -8.454
111 HH21 ARG 21 HH21 ARG 21 -3.536 0.456 -8.283
112 HH22 ARG 21 HH22 ARG 21 -2.998 -0.822 -9.313
113 H CYS 22 H CYS 22 -3.304 -0.400 0.815
114 HA CYS 22 HA CYS 22 -2.033 -2.703 2.248
115 HB2 CYS 22 HB2 CYS 22 -2.470 0.192 3.134
116 HB3 CYS 22 HB3 CYS 22 -2.144 -1.098 4.225
117 H THR 23 H THR 23 -5.070 -0.888 2.045
118 HA THR 23 HA THR 23 -6.231 -1.990 4.425
119 HB THR 23 HB THR 23 -7.017 0.095 3.546
120 HG1 THR 23 HG1 THR 23 -9.292 -0.612 3.006
121 HG21 THR 23 HG21 THR 23 -6.440 -0.182 1.102
122 HG22 THR 23 HG22 THR 23 -8.039 0.466 1.397
123 HG23 THR 23 HG23 THR 23 -7.858 -1.236 0.945
124 H SER 24 H SER 24 -7.438 -3.890 4.648
125 HA SER 24 HA SER 24 -7.423 -5.780 2.362
126 HB2 SER 24 HB2 SER 24 -7.801 -6.264 5.336
127 HB3 SER 24 HB3 SER 24 -7.797 -7.510 4.057
128 HG SER 24 HG SER 24 -5.724 -7.224 5.054
129 H ALA 25 H ALA 25 -9.271 -3.380 3.096
130 HA ALA 25 HA ALA 25 -11.907 -4.729 2.924
131 HB1 ALA 25 HB1 ALA 25 -11.101 -1.932 3.845
132 HB2 ALA 25 HB2 ALA 25 -12.760 -2.503 3.680
133 HB3 ALA 25 HB3 ALA 25 -11.685 -3.275 4.864
134 H ARG 26 H ARG 26 -13.439 -3.614 1.444
135 HA ARG 26 HA ARG 26 -12.351 -3.390 -1.184
136 HB2 ARG 26 HB2 ARG 26 -14.667 -4.016 -0.955
137 HB3 ARG 26 HB3 ARG 26 -15.037 -2.561 -0.024
138 HG2 ARG 26 HG2 ARG 26 -14.577 -1.142 -2.001
139 HG3 ARG 26 HG3 ARG 26 -14.154 -2.567 -2.952
140 HD2 ARG 26 HD2 ARG 26 -16.880 -2.056 -1.682
141 HD3 ARG 26 HD3 ARG 26 -16.443 -1.578 -3.310
142 HE ARG 26 HE ARG 26 -16.004 -3.876 -3.878
143 HH11 ARG 26 HH11 ARG 26 -18.118 -3.390 -1.040
144 HH12 ARG 26 HH12 ARG 26 -19.089 -4.796 -1.378
145 HH21 ARG 26 HH21 ARG 26 -17.258 -5.780 -4.221
146 HH22 ARG 26 HH22 ARG 26 -18.542 -6.190 -3.111
Start of MODEL 7
1 H1 GLY 1 H GLY 1 4.379 -7.339 7.859
2 HA2 GLY 1 HA2 GLY 1 7.016 -6.078 8.372
3 HA3 GLY 1 HA3 GLY 1 5.987 -5.678 6.980
4 H SER 2 H SER 2 6.935 -3.943 9.152
5 HA SER 2 HA SER 2 4.877 -3.365 11.030
6 HB2 SER 2 HB2 SER 2 7.290 -1.814 10.005
7 HB3 SER 2 HB3 SER 2 6.256 -1.281 11.339
8 HG SER 2 HG SER 2 7.724 -3.740 11.175
9 H GLY 3 H GLY 3 5.901 -0.722 8.842
10 HA2 GLY 3 HA2 GLY 3 3.094 0.063 8.619
11 HA3 GLY 3 HA3 GLY 3 4.499 0.927 8.011
12 H CYS 4 H CYS 4 5.714 -0.298 6.120
13 HA CYS 4 HA CYS 4 4.172 -2.132 4.545
14 HB2 CYS 4 HB2 CYS 4 3.115 0.365 4.358
15 HB3 CYS 4 HB3 CYS 4 4.410 0.515 3.165
16 H ASP 5 H ASP 5 5.111 -2.551 2.394
17 HA ASP 5 HA ASP 5 7.812 -1.509 1.823
18 HB2 ASP 5 HB2 ASP 5 7.003 -4.445 1.689
19 HB3 ASP 5 HB3 ASP 5 8.594 -3.748 1.369
20 H ASP 6 H ASP 6 8.351 -2.139 -0.454
21 HA ASP 6 HA ASP 6 6.322 -1.483 -2.312
22 HB2 ASP 6 HB2 ASP 6 8.677 -1.118 -2.784
23 HB3 ASP 6 HB3 ASP 6 8.983 -2.857 -2.750
24 H LYS 7 H LYS 7 7.092 -4.434 -0.805
25 HA LYS 7 HA LYS 7 6.177 -6.440 -2.633
26 HB2 LYS 7 HB2 LYS 7 5.750 -6.324 0.372
27 HB3 LYS 7 HB3 LYS 7 5.592 -7.765 -0.630
28 HG2 LYS 7 HG2 LYS 7 8.196 -6.212 -0.338
29 HG3 LYS 7 HG3 LYS 7 7.693 -7.506 0.749
30 HD2 LYS 7 HD2 LYS 7 7.563 -9.050 -1.238
31 HD3 LYS 7 HD3 LYS 7 8.328 -7.778 -2.212
32 HE2 LYS 7 HE2 LYS 7 10.289 -7.779 -0.745
33 HE3 LYS 7 HE3 LYS 7 9.495 -8.863 0.400
34 HZ1 LYS 7 HZ1 LYS 7 9.558 -10.612 -1.181
35 HZ2 LYS 7 HZ2 LYS 7 11.069 -10.003 -1.074
36 HZ3 LYS 7 HZ3 LYS 7 10.172 -9.625 -2.372
37 H CYS 8 H CYS 8 4.453 -4.103 -0.650
38 HA CYS 8 HA CYS 8 1.780 -5.174 -1.168
39 HB2 CYS 8 HB2 CYS 8 2.527 -4.233 0.999
40 HB3 CYS 8 HB3 CYS 8 2.819 -2.685 0.200
41 H GLY 9 H GLY 9 3.787 -3.608 -3.310
42 HA2 GLY 9 HA2 GLY 9 3.479 -2.383 -5.160
43 HA3 GLY 9 HA3 GLY 9 1.732 -2.647 -4.994
44 H CYS 10 H CYS 10 3.806 -1.206 -2.640
45 HA CYS 10 HA CYS 10 2.285 1.425 -2.855
46 HB2 CYS 10 HB2 CYS 10 3.639 0.223 -0.398
47 HB3 CYS 10 HB3 CYS 10 2.909 1.800 -0.468
48 H ALA 11 H ALA 11 3.522 3.284 -3.173
49 HA ALA 11 HA ALA 11 6.322 3.003 -3.758
50 HB1 ALA 11 HB1 ALA 11 6.261 5.295 -4.302
51 HB2 ALA 11 HB2 ALA 11 4.584 4.827 -4.608
52 HB3 ALA 11 HB3 ALA 11 5.021 5.671 -3.113
53 H VAL 12 H VAL 12 7.830 4.735 -2.504
54 HA VAL 12 HA VAL 12 7.413 4.336 0.422
55 HB VAL 12 HB VAL 12 10.097 4.478 -0.974
56 HG11 VAL 12 HG11 VAL 12 9.171 3.448 1.754
57 HG12 VAL 12 HG12 VAL 12 10.838 3.496 1.146
58 HG13 VAL 12 HG13 VAL 12 9.983 5.001 1.456
59 HG21 VAL 12 HG21 VAL 12 10.293 2.056 -0.745
60 HG22 VAL 12 HG22 VAL 12 8.630 1.942 -0.152
61 HG23 VAL 12 HG23 VAL 12 8.963 2.424 -1.835
62 HA PRO 13 HA PRO 13 6.565 5.523 1.980
63 HB2 PRO 13 HB2 PRO 13 4.875 7.524 2.729
64 HB3 PRO 13 HB3 PRO 13 6.583 7.478 3.286
65 HG2 PRO 13 HG2 PRO 13 5.436 9.002 0.920
66 HG3 PRO 13 HG3 PRO 13 6.412 9.662 2.251
67 HD2 PRO 13 HD2 PRO 13 7.607 8.901 -0.077
68 HD3 PRO 13 HD3 PRO 13 8.387 8.555 1.479
69 H CYS 14 H CYS 14 4.143 5.169 2.042
70 HA CYS 14 HA CYS 14 3.220 4.517 -0.571
71 HB2 CYS 14 HB2 CYS 14 2.693 3.213 1.303
72 HB3 CYS 14 HB3 CYS 14 1.900 4.542 2.151
73 HA PRO 15 HA PRO 15 1.306 8.450 -1.607
74 HB2 PRO 15 HB2 PRO 15 -0.176 7.717 -3.799
75 HB3 PRO 15 HB3 PRO 15 1.602 7.904 -3.821
76 HG2 PRO 15 HG2 PRO 15 0.000 5.349 -3.457
77 HG3 PRO 15 HG3 PRO 15 1.358 5.646 -4.591
78 HD2 PRO 15 HD2 PRO 15 1.813 4.446 -2.229
79 HD3 PRO 15 HD3 PRO 15 2.939 5.705 -2.819
80 H GLY 16 H GLY 16 -0.378 5.627 -0.706
81 HA2 GLY 16 HA2 GLY 16 -2.259 5.235 0.500
82 HA3 GLY 16 HA3 GLY 16 -2.468 6.983 0.699
83 H GLY 17 H GLY 17 -2.895 7.818 -1.910
84 HA2 GLY 17 HA2 GLY 17 -5.592 6.765 -2.504
85 HA3 GLY 17 HA3 GLY 17 -4.788 8.193 -3.186
86 H THR 18 H THR 18 -4.821 7.935 -5.280
87 HA THR 18 HA THR 18 -4.768 5.660 -6.789
88 HB THR 18 HB THR 18 -3.780 7.168 -8.543
89 HG1 THR 18 HG1 THR 18 -3.523 9.328 -8.062
90 HG21 THR 18 HG21 THR 18 -6.186 6.970 -8.166
91 HG22 THR 18 HG22 THR 18 -5.781 8.629 -8.638
92 HG23 THR 18 HG23 THR 18 -6.145 8.243 -6.940
93 H GLY 19 H GLY 19 -3.499 4.074 -6.507
94 HA2 GLY 19 HA2 GLY 19 -1.257 3.155 -7.217
95 HA3 GLY 19 HA3 GLY 19 -0.514 4.470 -6.307
96 H CYS 20 H CYS 20 -3.368 3.255 -4.592
97 HA CYS 20 HA CYS 20 -1.466 1.613 -3.019
98 HB2 CYS 20 HB2 CYS 20 -2.339 3.734 -2.003
99 HB3 CYS 20 HB3 CYS 20 -3.916 2.940 -1.966
100 H ARG 21 H ARG 21 -1.914 -0.217 -2.402
101 HA ARG 21 HA ARG 21 -4.352 -1.803 -2.932
102 HB2 ARG 21 HB2 ARG 21 -1.425 -2.581 -3.299
103 HB3 ARG 21 HB3 ARG 21 -2.750 -3.717 -3.338
104 HG2 ARG 21 HG2 ARG 21 -2.673 -1.406 -5.294
105 HG3 ARG 21 HG3 ARG 21 -1.702 -2.863 -5.537
106 HD2 ARG 21 HD2 ARG 21 -3.586 -4.296 -5.636
107 HD3 ARG 21 HD3 ARG 21 -4.681 -3.026 -5.083
108 HE ARG 21 HE ARG 21 -3.349 -2.158 -7.437
109 HH11 ARG 21 HH11 ARG 21 -5.728 -4.640 -6.561
110 HH12 ARG 21 HH12 ARG 21 -6.655 -4.462 -8.022
111 HH21 ARG 21 HH21 ARG 21 -4.583 -1.900 -9.341
112 HH22 ARG 21 HH22 ARG 21 -5.934 -2.911 -9.682
113 H CYS 22 H CYS 22 -4.034 -0.399 -0.550
114 HA CYS 22 HA CYS 22 -2.801 -2.380 1.352
115 HB2 CYS 22 HB2 CYS 22 -3.525 0.529 1.966
116 HB3 CYS 22 HB3 CYS 22 -3.187 -0.697 3.138
117 H THR 23 H THR 23 -5.704 -1.219 -0.101
118 HA THR 23 HA THR 23 -7.407 -2.006 2.111
119 HB THR 23 HB THR 23 -7.905 -0.064 0.744
120 HG1 THR 23 HG1 THR 23 -9.919 -0.504 0.952
121 HG21 THR 23 HG21 THR 23 -8.617 -0.153 -1.585
122 HG22 THR 23 HG22 THR 23 -8.243 -1.888 -1.663
123 HG23 THR 23 HG23 THR 23 -6.953 -0.690 -1.488
124 H SER 24 H SER 24 -8.765 -3.834 2.038
125 HA SER 24 HA SER 24 -8.286 -5.904 -0.042
126 HB2 SER 24 HB2 SER 24 -8.267 -6.418 2.964
127 HB3 SER 24 HB3 SER 24 -8.250 -7.638 1.683
128 HG SER 24 HG SER 24 -6.244 -7.300 2.451
129 H ALA 25 H ALA 25 -10.162 -5.863 3.032
130 HA ALA 25 HA ALA 25 -12.709 -5.562 1.562
131 HB1 ALA 25 HB1 ALA 25 -12.053 -7.596 3.753
132 HB2 ALA 25 HB2 ALA 25 -13.652 -7.319 3.030
133 HB3 ALA 25 HB3 ALA 25 -12.336 -7.983 2.042
134 H ARG 26 H ARG 26 -14.368 -4.614 2.984
135 HA ARG 26 HA ARG 26 -13.638 -3.627 5.608
136 HB2 ARG 26 HB2 ARG 26 -12.633 -1.997 3.903
137 HB3 ARG 26 HB3 ARG 26 -14.279 -1.696 3.323
138 HG2 ARG 26 HG2 ARG 26 -14.907 -0.785 5.523
139 HG3 ARG 26 HG3 ARG 26 -13.348 -1.284 6.196
140 HD2 ARG 26 HD2 ARG 26 -13.250 1.077 5.777
141 HD3 ARG 26 HD3 ARG 26 -12.204 0.271 4.607
142 HE ARG 26 HE ARG 26 -13.850 0.570 2.904
143 HH11 ARG 26 HH11 ARG 26 -14.557 2.539 5.848
144 HH12 ARG 26 HH12 ARG 26 -15.598 3.603 4.951
145 HH21 ARG 26 HH21 ARG 26 -15.338 1.977 1.878
146 HH22 ARG 26 HH22 ARG 26 -16.072 3.267 2.802
Start of MODEL 8
1 H1 GLY 1 H GLY 1 14.101 -2.660 7.273
2 HA2 GLY 1 HA2 GLY 1 12.329 -3.901 6.172
3 HA3 GLY 1 HA3 GLY 1 12.672 -5.255 7.270
4 H SER 2 H SER 2 11.661 -1.772 7.283
5 HA SER 2 HA SER 2 9.914 -2.384 9.596
6 HB2 SER 2 HB2 SER 2 11.636 0.107 9.297
7 HB3 SER 2 HB3 SER 2 10.634 -0.371 10.684
8 HG SER 2 HG SER 2 12.784 -0.950 11.120
9 H GLY 3 H GLY 3 7.912 -1.373 9.452
10 HA2 GLY 3 HA2 GLY 3 6.163 -0.236 8.495
11 HA3 GLY 3 HA3 GLY 3 7.340 0.764 7.617
12 H CYS 4 H CYS 4 5.578 0.521 5.928
13 HA CYS 4 HA CYS 4 5.241 -2.059 4.591
14 HB2 CYS 4 HB2 CYS 4 3.608 -0.017 4.656
15 HB3 CYS 4 HB3 CYS 4 4.664 0.682 3.404
16 H ASP 5 H ASP 5 5.816 -2.342 2.205
17 HA ASP 5 HA ASP 5 8.042 -0.798 1.204
18 HB2 ASP 5 HB2 ASP 5 9.024 -2.575 2.743
19 HB3 ASP 5 HB3 ASP 5 8.238 -3.777 1.701
20 H ASP 6 H ASP 6 8.666 -1.985 -0.886
21 HA ASP 6 HA ASP 6 6.505 -1.896 -2.700
22 HB2 ASP 6 HB2 ASP 6 8.803 -1.461 -3.420
23 HB3 ASP 6 HB3 ASP 6 9.214 -3.170 -3.166
24 H LYS 7 H LYS 7 8.025 -4.733 -1.120
25 HA LYS 7 HA LYS 7 6.870 -6.745 -2.651
26 HB2 LYS 7 HB2 LYS 7 6.876 -8.187 -0.667
27 HB3 LYS 7 HB3 LYS 7 8.405 -7.364 -0.963
28 HG2 LYS 7 HG2 LYS 7 8.088 -5.883 0.896
29 HG3 LYS 7 HG3 LYS 7 6.397 -6.372 1.101
30 HD2 LYS 7 HD2 LYS 7 7.076 -8.632 1.721
31 HD3 LYS 7 HD3 LYS 7 8.785 -8.243 1.496
32 HE2 LYS 7 HE2 LYS 7 7.106 -6.578 3.394
33 HE3 LYS 7 HE3 LYS 7 7.624 -8.194 3.899
34 HZ1 LYS 7 HZ1 LYS 7 9.616 -6.284 2.884
35 HZ2 LYS 7 HZ2 LYS 7 9.832 -7.600 3.799
36 HZ3 LYS 7 HZ3 LYS 7 9.136 -6.255 4.466
37 H CYS 8 H CYS 8 5.200 -4.741 -0.297
38 HA CYS 8 HA CYS 8 2.781 -6.319 -0.224
39 HB2 CYS 8 HB2 CYS 8 3.525 -4.893 1.592
40 HB3 CYS 8 HB3 CYS 8 3.516 -3.487 0.523
41 H GLY 9 H GLY 9 3.994 -4.263 -2.748
42 HA2 GLY 9 HA2 GLY 9 2.933 -3.580 -4.688
43 HA3 GLY 9 HA3 GLY 9 1.348 -4.040 -4.003
44 H CYS 10 H CYS 10 4.103 -1.842 -3.198
45 HA CYS 10 HA CYS 10 2.368 0.420 -2.988
46 HB2 CYS 10 HB2 CYS 10 3.911 -0.339 -0.446
47 HB3 CYS 10 HB3 CYS 10 2.748 0.971 -0.719
48 H ALA 11 H ALA 11 3.378 2.275 -3.422
49 HA ALA 11 HA ALA 11 6.111 2.312 -4.158
50 HB1 ALA 11 HB1 ALA 11 5.706 4.737 -4.387
51 HB2 ALA 11 HB2 ALA 11 4.330 3.834 -5.024
52 HB3 ALA 11 HB3 ALA 11 4.215 4.601 -3.424
53 H VAL 12 H VAL 12 7.635 4.080 -3.159
54 HA VAL 12 HA VAL 12 7.589 3.924 -0.183
55 HB VAL 12 HB VAL 12 9.966 3.822 -2.071
56 HG11 VAL 12 HG11 VAL 12 11.255 3.263 -0.032
57 HG12 VAL 12 HG12 VAL 12 10.532 4.865 0.079
58 HG13 VAL 12 HG13 VAL 12 9.802 3.510 0.964
59 HG21 VAL 12 HG21 VAL 12 8.809 1.709 -2.263
60 HG22 VAL 12 HG22 VAL 12 10.222 1.470 -1.246
61 HG23 VAL 12 HG23 VAL 12 8.608 1.588 -0.505
62 HA PRO 13 HA PRO 13 7.003 5.317 1.339
63 HB2 PRO 13 HB2 PRO 13 5.396 7.373 2.102
64 HB3 PRO 13 HB3 PRO 13 7.161 7.396 2.370
65 HG2 PRO 13 HG2 PRO 13 5.620 8.668 0.090
66 HG3 PRO 13 HG3 PRO 13 6.855 9.427 1.145
67 HD2 PRO 13 HD2 PRO 13 7.494 8.396 -1.304
68 HD3 PRO 13 HD3 PRO 13 8.616 8.276 0.077
69 H CYS 14 H CYS 14 4.703 4.791 1.891
70 HA CYS 14 HA CYS 14 3.265 4.132 -0.541
71 HB2 CYS 14 HB2 CYS 14 3.424 2.572 1.374
72 HB3 CYS 14 HB3 CYS 14 2.400 3.630 2.324
73 HA PRO 15 HA PRO 15 0.809 7.914 -0.381
74 HB2 PRO 15 HB2 PRO 15 -1.194 7.133 -2.216
75 HB3 PRO 15 HB3 PRO 15 0.374 7.890 -2.605
76 HG2 PRO 15 HG2 PRO 15 -0.388 5.007 -2.735
77 HG3 PRO 15 HG3 PRO 15 0.711 5.978 -3.779
78 HD2 PRO 15 HD2 PRO 15 1.635 4.257 -1.894
79 HD3 PRO 15 HD3 PRO 15 2.492 5.765 -2.341
80 H GLY 16 H GLY 16 -0.943 4.783 -0.211
81 HA2 GLY 16 HA2 GLY 16 -2.422 4.074 1.461
82 HA3 GLY 16 HA3 GLY 16 -2.317 5.655 2.228
83 H GLY 17 H GLY 17 -3.082 6.553 -0.812
84 HA2 GLY 17 HA2 GLY 17 -5.864 6.926 -0.233
85 HA3 GLY 17 HA3 GLY 17 -4.983 7.369 -1.702
86 H THR 18 H THR 18 -7.122 6.611 -2.591
87 HA THR 18 HA THR 18 -7.849 3.866 -2.594
88 HB THR 18 HB THR 18 -9.318 5.765 -2.962
89 HG1 THR 18 HG1 THR 18 -9.453 4.134 -5.243
90 HG21 THR 18 HG21 THR 18 -7.894 6.061 -5.607
91 HG22 THR 18 HG22 THR 18 -8.158 7.281 -4.358
92 HG23 THR 18 HG23 THR 18 -9.529 6.694 -5.304
93 H GLY 19 H GLY 19 -5.061 5.135 -3.942
94 HA2 GLY 19 HA2 GLY 19 -4.896 3.400 -6.317
95 HA3 GLY 19 HA3 GLY 19 -3.740 4.629 -5.738
96 H CYS 20 H CYS 20 -4.634 2.898 -3.037
97 HA CYS 20 HA CYS 20 -2.265 1.103 -3.227
98 HB2 CYS 20 HB2 CYS 20 -1.960 2.905 -1.653
99 HB3 CYS 20 HB3 CYS 20 -3.517 2.580 -0.908
100 H ARG 21 H ARG 21 -2.464 -0.790 -1.729
101 HA ARG 21 HA ARG 21 -5.231 -1.994 -1.701
102 HB2 ARG 21 HB2 ARG 21 -2.580 -3.115 -2.698
103 HB3 ARG 21 HB3 ARG 21 -3.917 -4.157 -2.292
104 HG2 ARG 21 HG2 ARG 21 -4.098 -1.957 -4.391
105 HG3 ARG 21 HG3 ARG 21 -3.704 -3.644 -4.710
106 HD2 ARG 21 HD2 ARG 21 -5.915 -4.249 -3.527
107 HD3 ARG 21 HD3 ARG 21 -6.305 -2.530 -3.606
108 HE ARG 21 HE ARG 21 -6.428 -2.620 -5.956
109 HH11 ARG 21 HH11 ARG 21 -5.187 -5.727 -4.759
110 HH12 ARG 21 HH12 ARG 21 -5.796 -6.647 -6.101
111 HH21 ARG 21 HH21 ARG 21 -7.282 -3.857 -7.731
112 HH22 ARG 21 HH22 ARG 21 -6.686 -5.464 -7.983
113 H CYS 22 H CYS 22 -3.252 -0.769 0.447
114 HA CYS 22 HA CYS 22 -2.574 -3.077 2.068
115 HB2 CYS 22 HB2 CYS 22 -2.821 -0.185 3.000
116 HB3 CYS 22 HB3 CYS 22 -2.194 -1.513 3.928
117 H THR 23 H THR 23 -5.391 -0.929 1.926
118 HA THR 23 HA THR 23 -6.666 -2.166 4.232
119 HB THR 23 HB THR 23 -6.885 0.220 3.578
120 HG1 THR 23 HG1 THR 23 -9.007 0.362 4.010
121 HG21 THR 23 HG21 THR 23 -8.302 0.943 1.743
122 HG22 THR 23 HG22 THR 23 -8.629 -0.726 1.261
123 HG23 THR 23 HG23 THR 23 -7.000 -0.041 1.080
124 H SER 24 H SER 24 -9.044 -2.796 3.679
125 HA SER 24 HA SER 24 -9.121 -4.766 1.410
126 HB2 SER 24 HB2 SER 24 -10.402 -5.049 4.147
127 HB3 SER 24 HB3 SER 24 -10.425 -6.231 2.827
128 HG SER 24 HG SER 24 -8.901 -6.444 4.662
129 H ALA 25 H ALA 25 -10.833 -2.440 3.510
130 HA ALA 25 HA ALA 25 -13.423 -2.654 2.459
131 HB1 ALA 25 HB1 ALA 25 -13.712 -0.426 3.477
132 HB2 ALA 25 HB2 ALA 25 -12.744 -1.464 4.537
133 HB3 ALA 25 HB3 ALA 25 -11.957 -0.204 3.565
134 H ARG 26 H ARG 26 -14.578 -1.147 1.125
135 HA ARG 26 HA ARG 26 -13.042 -0.372 -1.260
136 HB2 ARG 26 HB2 ARG 26 -15.208 -1.663 -1.409
137 HB3 ARG 26 HB3 ARG 26 -16.063 -0.231 -0.807
138 HG2 ARG 26 HG2 ARG 26 -15.306 1.078 -2.732
139 HG3 ARG 26 HG3 ARG 26 -14.226 -0.230 -3.248
140 HD2 ARG 26 HD2 ARG 26 -16.214 -1.703 -3.607
141 HD3 ARG 26 HD3 ARG 26 -17.263 -0.330 -3.214
142 HE ARG 26 HE ARG 26 -15.371 -0.559 -5.522
143 HH11 ARG 26 HH11 ARG 26 -18.435 0.788 -4.290
144 HH12 ARG 26 HH12 ARG 26 -18.646 1.857 -5.634
145 HH21 ARG 26 HH21 ARG 26 -15.505 1.016 -7.095
146 HH22 ARG 26 HH22 ARG 26 -16.941 1.953 -7.343
Start of MODEL 9
1 H1 GLY 1 H GLY 1 3.136 6.075 7.116
2 HA2 GLY 1 HA2 GLY 1 2.447 4.553 8.918
3 HA3 GLY 1 HA3 GLY 1 1.188 3.945 7.824
4 H SER 2 H SER 2 4.288 3.418 9.005
5 HA SER 2 HA SER 2 5.730 2.384 6.795
6 HB2 SER 2 HB2 SER 2 6.019 1.666 9.731
7 HB3 SER 2 HB3 SER 2 7.294 1.769 8.505
8 HG SER 2 HG SER 2 7.018 3.506 10.119
9 H GLY 3 H GLY 3 6.661 -0.062 7.254
10 HA2 GLY 3 HA2 GLY 3 6.267 -2.311 7.513
11 HA3 GLY 3 HA3 GLY 3 4.626 -1.988 8.093
12 H CYS 4 H CYS 4 6.538 -1.393 5.063
13 HA CYS 4 HA CYS 4 4.676 -2.940 3.501
14 HB2 CYS 4 HB2 CYS 4 3.590 -0.600 3.954
15 HB3 CYS 4 HB3 CYS 4 4.805 -0.025 2.795
16 H ASP 5 H ASP 5 5.343 -3.340 1.496
17 HA ASP 5 HA ASP 5 7.829 -2.110 0.491
18 HB2 ASP 5 HB2 ASP 5 7.066 -4.996 0.109
19 HB3 ASP 5 HB3 ASP 5 8.643 -4.243 -0.056
20 H ASP 6 H ASP 6 8.069 -2.668 -1.800
21 HA ASP 6 HA ASP 6 6.227 -1.619 -3.539
22 HB2 ASP 6 HB2 ASP 6 7.720 -2.510 -5.242
23 HB3 ASP 6 HB3 ASP 6 8.676 -1.926 -3.881
24 H LYS 7 H LYS 7 6.698 -5.041 -2.643
25 HA LYS 7 HA LYS 7 4.976 -6.029 -4.716
26 HB2 LYS 7 HB2 LYS 7 4.839 -8.129 -3.165
27 HB3 LYS 7 HB3 LYS 7 6.213 -7.722 -4.161
28 HG2 LYS 7 HG2 LYS 7 7.193 -8.460 -2.242
29 HG3 LYS 7 HG3 LYS 7 7.318 -6.719 -2.049
30 HD2 LYS 7 HD2 LYS 7 5.332 -6.753 -0.551
31 HD3 LYS 7 HD3 LYS 7 5.147 -8.483 -0.807
32 HE2 LYS 7 HE2 LYS 7 7.470 -7.073 0.582
33 HE3 LYS 7 HE3 LYS 7 6.217 -8.051 1.344
34 HZ1 LYS 7 HZ1 LYS 7 8.477 -8.945 -0.293
35 HZ2 LYS 7 HZ2 LYS 7 7.172 -9.949 -0.018
36 HZ3 LYS 7 HZ3 LYS 7 8.057 -9.386 1.222
37 H CYS 8 H CYS 8 4.191 -4.504 -1.819
38 HA CYS 8 HA CYS 8 1.486 -5.626 -1.699
39 HB2 CYS 8 HB2 CYS 8 2.721 -5.024 0.342
40 HB3 CYS 8 HB3 CYS 8 2.777 -3.352 -0.191
41 H GLY 9 H GLY 9 2.598 -3.691 -4.137
42 HA2 GLY 9 HA2 GLY 9 1.539 -2.202 -5.515
43 HA3 GLY 9 HA3 GLY 9 0.010 -2.702 -4.757
44 H CYS 10 H CYS 10 2.985 -1.288 -3.610
45 HA CYS 10 HA CYS 10 1.782 1.254 -2.734
46 HB2 CYS 10 HB2 CYS 10 3.009 -0.764 -0.809
47 HB3 CYS 10 HB3 CYS 10 2.539 0.862 -0.373
48 H ALA 11 H ALA 11 3.405 2.793 -2.794
49 HA ALA 11 HA ALA 11 6.117 2.023 -3.339
50 HB1 ALA 11 HB1 ALA 11 5.104 4.134 -4.183
51 HB2 ALA 11 HB2 ALA 11 4.972 4.736 -2.517
52 HB3 ALA 11 HB3 ALA 11 6.561 4.451 -3.236
53 H VAL 12 H VAL 12 7.870 3.282 -1.835
54 HA VAL 12 HA VAL 12 7.319 2.673 1.016
55 HB VAL 12 HB VAL 12 9.861 1.989 -0.507
56 HG11 VAL 12 HG11 VAL 12 10.335 0.616 1.505
57 HG12 VAL 12 HG12 VAL 12 10.207 2.324 1.891
58 HG13 VAL 12 HG13 VAL 12 8.858 1.233 2.279
59 HG21 VAL 12 HG21 VAL 12 7.527 0.191 0.256
60 HG22 VAL 12 HG22 VAL 12 8.164 0.493 -1.381
61 HG23 VAL 12 HG23 VAL 12 9.142 -0.392 -0.223
62 HA PRO 13 HA PRO 13 6.757 4.159 2.537
63 HB2 PRO 13 HB2 PRO 13 5.559 6.580 2.975
64 HB3 PRO 13 HB3 PRO 13 7.091 6.103 3.752
65 HG2 PRO 13 HG2 PRO 13 6.716 7.768 1.245
66 HG3 PRO 13 HG3 PRO 13 7.735 8.141 2.671
67 HD2 PRO 13 HD2 PRO 13 8.762 7.014 0.419
68 HD3 PRO 13 HD3 PRO 13 9.349 6.542 2.036
69 H CYS 14 H CYS 14 4.453 4.016 2.415
70 HA CYS 14 HA CYS 14 3.456 3.825 -0.273
71 HB2 CYS 14 HB2 CYS 14 2.901 2.316 1.465
72 HB3 CYS 14 HB3 CYS 14 2.155 3.556 2.464
73 HA PRO 15 HA PRO 15 2.068 8.032 -0.727
74 HB2 PRO 15 HB2 PRO 15 -0.152 7.589 -2.431
75 HB3 PRO 15 HB3 PRO 15 1.573 7.689 -2.952
76 HG2 PRO 15 HG2 PRO 15 -0.128 5.256 -2.317
77 HG3 PRO 15 HG3 PRO 15 0.932 5.521 -3.728
78 HD2 PRO 15 HD2 PRO 15 1.821 4.085 -1.659
79 HD3 PRO 15 HD3 PRO 15 2.900 5.318 -2.381
80 H GLY 16 H GLY 16 -0.553 5.674 -0.438
81 HA2 GLY 16 HA2 GLY 16 -1.878 5.803 1.723
82 HA3 GLY 16 HA3 GLY 16 -2.191 7.501 1.247
83 H GLY 17 H GLY 17 -4.449 6.891 1.051
84 HA2 GLY 17 HA2 GLY 17 -5.878 4.989 -0.109
85 HA3 GLY 17 HA3 GLY 17 -6.254 6.687 -0.383
86 H THR 18 H THR 18 -5.086 7.728 -2.317
87 HA THR 18 HA THR 18 -5.707 6.462 -4.660
88 HB THR 18 HB THR 18 -3.549 8.581 -4.442
89 HG1 THR 18 HG1 THR 18 -5.100 10.101 -4.115
90 HG21 THR 18 HG21 THR 18 -5.943 8.217 -6.310
91 HG22 THR 18 HG22 THR 18 -4.250 7.848 -6.711
92 HG23 THR 18 HG23 THR 18 -4.740 9.518 -6.390
93 H GLY 19 H GLY 19 -4.875 4.468 -5.180
94 HA2 GLY 19 HA2 GLY 19 -3.216 3.252 -6.388
95 HA3 GLY 19 HA3 GLY 19 -1.975 4.331 -5.768
96 H CYS 20 H CYS 20 -3.710 3.468 -2.986
97 HA CYS 20 HA CYS 20 -1.584 1.524 -2.398
98 HB2 CYS 20 HB2 CYS 20 -2.016 3.219 -0.798
99 HB3 CYS 20 HB3 CYS 20 -3.763 2.789 -0.723
100 H ARG 21 H ARG 21 -1.833 -0.620 -2.781
101 HA ARG 21 HA ARG 21 -4.532 -1.839 -2.451
102 HB2 ARG 21 HB2 ARG 21 -1.915 -2.971 -3.530
103 HB3 ARG 21 HB3 ARG 21 -3.431 -3.836 -3.365
104 HG2 ARG 21 HG2 ARG 21 -3.343 -3.271 -5.598
105 HG3 ARG 21 HG3 ARG 21 -4.528 -2.168 -4.886
106 HD2 ARG 21 HD2 ARG 21 -3.015 -0.310 -5.042
107 HD3 ARG 21 HD3 ARG 21 -1.629 -1.376 -5.346
108 HE ARG 21 HE ARG 21 -3.460 -1.828 -7.419
109 HH11 ARG 21 HH11 ARG 21 -1.335 0.822 -6.265
110 HH12 ARG 21 HH12 ARG 21 -0.861 1.292 -7.850
111 HH21 ARG 21 HH21 ARG 21 -3.058 -0.966 -9.518
112 HH22 ARG 21 HH22 ARG 21 -1.934 0.330 -9.712
113 H CYS 22 H CYS 22 -3.525 -0.834 -0.035
114 HA CYS 22 HA CYS 22 -2.148 -3.110 1.390
115 HB2 CYS 22 HB2 CYS 22 -3.160 -0.477 2.559
116 HB3 CYS 22 HB3 CYS 22 -2.639 -1.840 3.503
117 H THR 23 H THR 23 -5.318 -1.405 1.298
118 HA THR 23 HA THR 23 -6.588 -3.097 3.169
119 HB THR 23 HB THR 23 -7.465 -0.959 2.537
120 HG1 THR 23 HG1 THR 23 -9.358 -2.659 1.396
121 HG21 THR 23 HG21 THR 23 -6.795 -0.769 0.151
122 HG22 THR 23 HG22 THR 23 -8.507 -0.435 0.383
123 HG23 THR 23 HG23 THR 23 -8.001 -1.997 -0.278
124 H SER 24 H SER 24 -7.116 -5.241 3.009
125 HA SER 24 HA SER 24 -6.476 -6.773 0.676
126 HB2 SER 24 HB2 SER 24 -8.024 -7.464 3.221
127 HB3 SER 24 HB3 SER 24 -7.299 -8.618 2.085
128 HG SER 24 HG SER 24 -5.375 -8.150 2.758
129 H ALA 25 H ALA 25 -9.618 -6.481 2.404
130 HA ALA 25 HA ALA 25 -11.058 -5.649 -0.018
131 HB1 ALA 25 HB1 ALA 25 -11.567 -8.179 1.614
132 HB2 ALA 25 HB2 ALA 25 -12.810 -7.410 0.599
133 HB3 ALA 25 HB3 ALA 25 -11.326 -8.029 -0.136
134 H ARG 26 H ARG 26 -13.049 -4.605 0.607
135 HA ARG 26 HA ARG 26 -13.721 -4.166 3.382
136 HB2 ARG 26 HB2 ARG 26 -11.893 -2.492 2.943
137 HB3 ARG 26 HB3 ARG 26 -12.848 -1.805 1.633
138 HG2 ARG 26 HG2 ARG 26 -14.206 -2.062 4.311
139 HG3 ARG 26 HG3 ARG 26 -12.860 -0.939 4.251
140 HD2 ARG 26 HD2 ARG 26 -15.091 -0.798 2.196
141 HD3 ARG 26 HD3 ARG 26 -15.234 -0.036 3.774
142 HE ARG 26 HE ARG 26 -13.175 0.594 1.686
143 HH11 ARG 26 HH11 ARG 26 -15.057 1.698 4.532
144 HH12 ARG 26 HH12 ARG 26 -14.467 3.296 4.458
145 HH21 ARG 26 HH21 ARG 26 -12.334 2.654 1.659
146 HH22 ARG 26 HH22 ARG 26 -12.890 3.887 2.760
Start of MODEL 10
1 H1 GLY 1 H GLY 1 4.544 -5.908 11.657
2 HA2 GLY 1 HA2 GLY 1 4.006 -3.699 12.600
3 HA3 GLY 1 HA3 GLY 1 5.530 -3.688 11.693
4 H SER 2 H SER 2 4.532 -1.255 11.914
5 HA SER 2 HA SER 2 2.547 -0.521 9.989
6 HB2 SER 2 HB2 SER 2 3.347 1.795 10.718
7 HB3 SER 2 HB3 SER 2 2.730 0.722 11.967
8 HG SER 2 HG SER 2 5.505 1.199 11.408
9 H GLY 3 H GLY 3 5.561 -1.603 9.161
10 HA2 GLY 3 HA2 GLY 3 6.279 0.520 7.255
11 HA3 GLY 3 HA3 GLY 3 7.156 -0.978 7.600
12 H CYS 4 H CYS 4 7.000 -0.490 4.986
13 HA CYS 4 HA CYS 4 5.354 -2.628 3.901
14 HB2 CYS 4 HB2 CYS 4 3.774 -0.628 4.030
15 HB3 CYS 4 HB3 CYS 4 4.899 0.216 2.956
16 H ASP 5 H ASP 5 5.857 -2.962 1.551
17 HA ASP 5 HA ASP 5 8.338 -1.689 0.607
18 HB2 ASP 5 HB2 ASP 5 7.604 -4.639 0.568
19 HB3 ASP 5 HB3 ASP 5 9.087 -3.954 -0.070
20 H ASP 6 H ASP 6 8.636 -2.573 -1.687
21 HA ASP 6 HA ASP 6 6.569 -1.784 -3.411
22 HB2 ASP 6 HB2 ASP 6 8.016 -2.332 -5.132
23 HB3 ASP 6 HB3 ASP 6 9.113 -1.935 -3.810
24 H LYS 7 H LYS 7 7.555 -5.007 -2.288
25 HA LYS 7 HA LYS 7 5.883 -6.547 -3.937
26 HB2 LYS 7 HB2 LYS 7 5.945 -8.317 -2.120
27 HB3 LYS 7 HB3 LYS 7 7.425 -7.773 -2.850
28 HG2 LYS 7 HG2 LYS 7 7.975 -8.172 -0.706
29 HG3 LYS 7 HG3 LYS 7 7.954 -6.423 -0.812
30 HD2 LYS 7 HD2 LYS 7 6.152 -6.259 0.701
31 HD3 LYS 7 HD3 LYS 7 5.469 -7.788 0.186
32 HE2 LYS 7 HE2 LYS 7 6.330 -8.005 2.461
33 HE3 LYS 7 HE3 LYS 7 7.179 -9.070 1.344
34 HZ1 LYS 7 HZ1 LYS 7 9.024 -7.452 1.340
35 HZ2 LYS 7 HZ2 LYS 7 8.712 -8.048 2.831
36 HZ3 LYS 7 HZ3 LYS 7 8.243 -6.538 2.463
37 H CYS 8 H CYS 8 4.965 -4.576 -1.305
38 HA CYS 8 HA CYS 8 2.301 -5.798 -1.056
39 HB2 CYS 8 HB2 CYS 8 3.496 -5.136 0.907
40 HB3 CYS 8 HB3 CYS 8 3.687 -3.503 0.297
41 H GLY 9 H GLY 9 3.324 -4.305 -3.692
42 HA2 GLY 9 HA2 GLY 9 2.408 -3.099 -5.308
43 HA3 GLY 9 HA3 GLY 9 0.847 -3.273 -4.481
44 H CYS 10 H CYS 10 3.806 -1.883 -3.322
45 HA CYS 10 HA CYS 10 2.472 0.836 -3.236
46 HB2 CYS 10 HB2 CYS 10 3.915 -0.475 -0.919
47 HB3 CYS 10 HB3 CYS 10 3.312 1.164 -0.916
48 H ALA 11 H ALA 11 3.533 2.524 -3.725
49 HA ALA 11 HA ALA 11 6.188 2.468 -4.671
50 HB1 ALA 11 HB1 ALA 11 4.447 4.789 -3.709
51 HB2 ALA 11 HB2 ALA 11 5.925 4.956 -4.669
52 HB3 ALA 11 HB3 ALA 11 4.506 4.163 -5.364
53 H VAL 12 H VAL 12 7.894 3.979 -3.646
54 HA VAL 12 HA VAL 12 8.019 3.621 -0.679
55 HB VAL 12 HB VAL 12 10.022 3.137 -2.905
56 HG11 VAL 12 HG11 VAL 12 10.630 2.892 0.058
57 HG12 VAL 12 HG12 VAL 12 11.714 2.577 -1.303
58 HG13 VAL 12 HG13 VAL 12 11.189 4.225 -0.977
59 HG21 VAL 12 HG21 VAL 12 8.403 1.258 -2.363
60 HG22 VAL 12 HG22 VAL 12 10.102 0.874 -2.052
61 HG23 VAL 12 HG23 VAL 12 9.003 1.287 -0.703
62 HA PRO 13 HA PRO 13 7.367 5.021 0.781
63 HB2 PRO 13 HB2 PRO 13 5.976 7.205 1.575
64 HB3 PRO 13 HB3 PRO 13 7.726 7.034 1.899
65 HG2 PRO 13 HG2 PRO 13 6.393 8.558 -0.347
66 HG3 PRO 13 HG3 PRO 13 7.687 9.127 0.753
67 HD2 PRO 13 HD2 PRO 13 8.195 8.112 -1.758
68 HD3 PRO 13 HD3 PRO 13 9.332 7.899 -0.397
69 H CYS 14 H CYS 14 5.021 4.694 1.153
70 HA CYS 14 HA CYS 14 3.625 4.237 -1.344
71 HB2 CYS 14 HB2 CYS 14 3.572 2.715 0.572
72 HB3 CYS 14 HB3 CYS 14 2.775 3.934 1.551
73 HA PRO 15 HA PRO 15 1.316 8.065 -1.539
74 HB2 PRO 15 HB2 PRO 15 -1.046 7.159 -2.781
75 HB3 PRO 15 HB3 PRO 15 0.490 7.576 -3.607
76 HG2 PRO 15 HG2 PRO 15 -0.542 4.865 -2.712
77 HG3 PRO 15 HG3 PRO 15 0.205 5.286 -4.278
78 HD2 PRO 15 HD2 PRO 15 1.679 4.107 -2.382
79 HD3 PRO 15 HD3 PRO 15 2.362 5.480 -3.299
80 H GLY 16 H GLY 16 -0.724 5.276 -0.685
81 HA2 GLY 16 HA2 GLY 16 -2.002 4.953 1.314
82 HA3 GLY 16 HA3 GLY 16 -1.766 6.663 1.730
83 H GLY 17 H GLY 17 -4.200 4.759 1.136
84 HA2 GLY 17 HA2 GLY 17 -6.343 4.950 0.383
85 HA3 GLY 17 HA3 GLY 17 -6.082 6.694 0.251
86 H THR 18 H THR 18 -5.724 7.622 -1.730
87 HA THR 18 HA THR 18 -6.799 6.359 -3.953
88 HB THR 18 HB THR 18 -4.984 8.771 -3.774
89 HG1 THR 18 HG1 THR 18 -7.081 9.768 -4.027
90 HG21 THR 18 HG21 THR 18 -6.798 7.803 -6.047
91 HG22 THR 18 HG22 THR 18 -5.015 7.908 -6.103
92 HG23 THR 18 HG23 THR 18 -5.971 9.374 -5.985
93 H GLY 19 H GLY 19 -6.144 4.668 -4.855
94 HA2 GLY 19 HA2 GLY 19 -4.827 3.272 -6.229
95 HA3 GLY 19 HA3 GLY 19 -3.550 4.499 -6.191
96 H CYS 20 H CYS 20 -4.852 3.272 -3.120
97 HA CYS 20 HA CYS 20 -2.219 1.991 -2.755
98 HB2 CYS 20 HB2 CYS 20 -2.627 3.720 -1.143
99 HB3 CYS 20 HB3 CYS 20 -4.017 2.782 -0.550
100 H ARG 21 H ARG 21 -1.817 0.206 -2.565
101 HA ARG 21 HA ARG 21 -3.750 -1.972 -2.367
102 HB2 ARG 21 HB2 ARG 21 -0.824 -1.989 -3.181
103 HB3 ARG 21 HB3 ARG 21 -1.875 -3.365 -3.074
104 HG2 ARG 21 HG2 ARG 21 -1.690 -2.876 -5.349
105 HG3 ARG 21 HG3 ARG 21 -3.326 -2.427 -4.870
106 HD2 ARG 21 HD2 ARG 21 -2.977 -0.161 -5.231
107 HD3 ARG 21 HD3 ARG 21 -1.229 -0.266 -5.038
108 HE ARG 21 HE ARG 21 -2.812 -0.763 -7.449
109 HH11 ARG 21 HH11 ARG 21 0.447 -0.913 -5.972
110 HH12 ARG 21 HH12 ARG 21 1.203 -1.315 -7.484
111 HH21 ARG 21 HH21 ARG 21 -1.682 -1.378 -9.442
112 HH22 ARG 21 HH22 ARG 21 0.055 -1.489 -9.387
113 H CYS 22 H CYS 22 -4.050 -1.371 -0.275
114 HA CYS 22 HA CYS 22 -2.286 -2.585 1.519
115 HB2 CYS 22 HB2 CYS 22 -2.674 0.332 2.179
116 HB3 CYS 22 HB3 CYS 22 -2.273 -0.882 3.355
117 H THR 23 H THR 23 -5.430 -1.649 0.737
118 HA THR 23 HA THR 23 -6.521 -2.452 3.324
119 HB THR 23 HB THR 23 -7.693 -0.726 2.267
120 HG1 THR 23 HG1 THR 23 -9.649 -1.572 2.303
121 HG21 THR 23 HG21 THR 23 -8.698 -0.914 -0.041
122 HG22 THR 23 HG22 THR 23 -7.674 -2.335 -0.321
123 HG23 THR 23 HG23 THR 23 -6.947 -0.742 -0.034
124 H SER 24 H SER 24 -8.317 -4.137 3.061
125 HA SER 24 HA SER 24 -7.510 -6.498 1.453
126 HB2 SER 24 HB2 SER 24 -7.008 -6.270 4.195
127 HB3 SER 24 HB3 SER 24 -8.574 -7.086 4.150
128 HG SER 24 HG SER 24 -7.549 -8.581 2.627
129 H ALA 25 H ALA 25 -9.941 -4.321 2.634
130 HA ALA 25 HA ALA 25 -12.012 -5.375 1.030
131 HB1 ALA 25 HB1 ALA 25 -12.156 -7.116 2.829
132 HB2 ALA 25 HB2 ALA 25 -12.339 -5.821 4.028
133 HB3 ALA 25 HB3 ALA 25 -13.567 -6.084 2.767
134 H ARG 26 H ARG 26 -11.776 -3.158 0.459
135 HA ARG 26 HA ARG 26 -11.930 -0.906 0.540
136 HB2 ARG 26 HB2 ARG 26 -14.252 -1.737 0.183
137 HB3 ARG 26 HB3 ARG 26 -14.556 -1.567 1.921
138 HG2 ARG 26 HG2 ARG 26 -14.023 0.911 1.717
139 HG3 ARG 26 HG3 ARG 26 -13.747 0.658 -0.012
140 HD2 ARG 26 HD2 ARG 26 -15.943 1.534 0.243
141 HD3 ARG 26 HD3 ARG 26 -16.075 -0.175 -0.215
142 HE ARG 26 HE ARG 26 -16.171 0.446 2.646
143 HH11 ARG 26 HH11 ARG 26 -18.136 -0.042 -0.311
144 HH12 ARG 26 HH12 ARG 26 -19.626 -0.167 0.581
145 HH21 ARG 26 HH21 ARG 26 -18.143 0.024 3.762
146 HH22 ARG 26 HH22 ARG 26 -19.650 0.166 2.922
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.874 0.315 11.414
2 HA2 GLY 1 HA2 GLY 1 0.861 0.961 9.231
3 HA3 GLY 1 HA3 GLY 1 1.582 2.555 9.483
4 H SER 2 H SER 2 2.820 2.126 7.440
5 HA SER 2 HA SER 2 4.568 1.427 6.202
6 HB2 SER 2 HB2 SER 2 5.885 1.263 8.930
7 HB3 SER 2 HB3 SER 2 6.751 1.259 7.389
8 HG SER 2 HG SER 2 6.343 3.312 8.634
9 H GLY 3 H GLY 3 2.764 -0.844 7.492
10 HA2 GLY 3 HA2 GLY 3 4.412 -3.159 7.617
11 HA3 GLY 3 HA3 GLY 3 2.652 -3.088 7.545
12 H CYS 4 H CYS 4 5.081 -1.953 5.157
13 HA CYS 4 HA CYS 4 4.677 -4.095 3.359
14 HB2 CYS 4 HB2 CYS 4 3.004 -1.690 2.911
15 HB3 CYS 4 HB3 CYS 4 4.082 -2.087 1.571
16 H ASP 5 H ASP 5 5.966 -3.833 1.413
17 HA ASP 5 HA ASP 5 8.143 -1.844 1.662
18 HB2 ASP 5 HB2 ASP 5 8.476 -4.839 1.200
19 HB3 ASP 5 HB3 ASP 5 9.768 -3.652 1.378
20 H ASP 6 H ASP 6 9.561 -2.163 -0.360
21 HA ASP 6 HA ASP 6 8.076 -1.613 -2.689
22 HB2 ASP 6 HB2 ASP 6 10.320 -0.811 -2.411
23 HB3 ASP 6 HB3 ASP 6 10.956 -2.462 -2.258
24 H LYS 7 H LYS 7 9.138 -4.688 -1.339
25 HA LYS 7 HA LYS 7 9.012 -6.311 -3.691
26 HB2 LYS 7 HB2 LYS 7 8.304 -7.071 -0.825
27 HB3 LYS 7 HB3 LYS 7 8.688 -8.195 -2.124
28 HG2 LYS 7 HG2 LYS 7 10.623 -6.137 -0.956
29 HG3 LYS 7 HG3 LYS 7 10.549 -7.825 -0.531
30 HD2 LYS 7 HD2 LYS 7 12.252 -7.941 -2.022
31 HD3 LYS 7 HD3 LYS 7 10.899 -8.266 -3.091
32 HE2 LYS 7 HE2 LYS 7 12.293 -6.761 -4.256
33 HE3 LYS 7 HE3 LYS 7 10.960 -5.747 -3.684
34 HZ1 LYS 7 HZ1 LYS 7 13.647 -5.985 -2.461
35 HZ2 LYS 7 HZ2 LYS 7 12.445 -5.085 -1.810
36 HZ3 LYS 7 HZ3 LYS 7 13.062 -4.686 -3.272
37 H CYS 8 H CYS 8 6.453 -4.861 -1.792
38 HA CYS 8 HA CYS 8 4.372 -6.478 -3.186
39 HB2 CYS 8 HB2 CYS 8 4.204 -6.299 -0.786
40 HB3 CYS 8 HB3 CYS 8 4.203 -4.542 -0.874
41 H GLY 9 H GLY 9 6.228 -4.016 -4.082
42 HA2 GLY 9 HA2 GLY 9 6.144 -2.442 -5.665
43 HA3 GLY 9 HA3 GLY 9 4.510 -2.998 -6.086
44 H CYS 10 H CYS 10 5.444 -1.991 -2.870
45 HA CYS 10 HA CYS 10 3.622 0.388 -3.191
46 HB2 CYS 10 HB2 CYS 10 4.114 -0.629 -0.471
47 HB3 CYS 10 HB3 CYS 10 2.659 0.134 -1.263
48 H ALA 11 H ALA 11 4.382 2.358 -2.731
49 HA ALA 11 HA ALA 11 7.161 2.775 -2.229
50 HB1 ALA 11 HB1 ALA 11 5.745 4.440 -3.377
51 HB2 ALA 11 HB2 ALA 11 4.723 4.618 -1.921
52 HB3 ALA 11 HB3 ALA 11 6.416 5.132 -1.902
53 H VAL 12 H VAL 12 7.887 4.134 -0.179
54 HA VAL 12 HA VAL 12 6.641 2.923 2.240
55 HB VAL 12 HB VAL 12 9.517 3.647 1.682
56 HG11 VAL 12 HG11 VAL 12 8.279 2.382 4.166
57 HG12 VAL 12 HG12 VAL 12 10.010 2.581 3.843
58 HG13 VAL 12 HG13 VAL 12 9.003 4.007 4.049
59 HG21 VAL 12 HG21 VAL 12 9.917 1.218 1.841
60 HG22 VAL 12 HG22 VAL 12 8.180 0.915 2.037
61 HG23 VAL 12 HG23 VAL 12 8.823 1.563 0.511
62 HA PRO 13 HA PRO 13 5.518 3.434 3.921
63 HB2 PRO 13 HB2 PRO 13 3.402 4.798 4.922
64 HB3 PRO 13 HB3 PRO 13 5.016 4.874 5.688
65 HG2 PRO 13 HG2 PRO 13 3.781 6.851 3.744
66 HG3 PRO 13 HG3 PRO 13 4.588 7.198 5.312
67 HD2 PRO 13 HD2 PRO 13 5.871 7.384 2.894
68 HD3 PRO 13 HD3 PRO 13 6.714 6.872 4.383
69 H CYS 14 H CYS 14 3.492 2.366 3.238
70 HA CYS 14 HA CYS 14 2.774 2.964 0.496
71 HB2 CYS 14 HB2 CYS 14 2.672 0.672 1.220
72 HB3 CYS 14 HB3 CYS 14 1.563 1.035 2.526
73 HA PRO 15 HA PRO 15 -0.123 6.183 1.893
74 HB2 PRO 15 HB2 PRO 15 -1.577 6.445 -0.491
75 HB3 PRO 15 HB3 PRO 15 -0.066 7.295 -0.091
76 HG2 PRO 15 HG2 PRO 15 -0.433 4.768 -1.711
77 HG3 PRO 15 HG3 PRO 15 0.626 6.165 -2.069
78 HD2 PRO 15 HD2 PRO 15 1.658 3.945 -0.977
79 HD3 PRO 15 HD3 PRO 15 2.176 5.543 -0.382
80 H GLY 16 H GLY 16 -1.105 3.293 0.102
81 HA2 GLY 16 HA2 GLY 16 -2.724 1.701 0.569
82 HA3 GLY 16 HA3 GLY 16 -3.080 2.541 2.069
83 H GLY 17 H GLY 17 -3.403 4.932 -0.283
84 HA2 GLY 17 HA2 GLY 17 -6.310 4.728 -0.278
85 HA3 GLY 17 HA3 GLY 17 -5.288 6.026 -0.951
86 H THR 18 H THR 18 -6.918 5.765 -2.765
87 HA THR 18 HA THR 18 -7.335 3.724 -4.445
88 HB THR 18 HB THR 18 -6.741 6.485 -5.518
89 HG1 THR 18 HG1 THR 18 -8.474 7.363 -4.523
90 HG21 THR 18 HG21 THR 18 -8.857 6.187 -6.671
91 HG22 THR 18 HG22 THR 18 -9.193 4.695 -5.768
92 HG23 THR 18 HG23 THR 18 -7.858 4.752 -6.943
93 H GLY 19 H GLY 19 -4.456 5.808 -4.383
94 HA2 GLY 19 HA2 GLY 19 -3.214 4.985 -6.749
95 HA3 GLY 19 HA3 GLY 19 -2.435 5.734 -5.350
96 H CYS 20 H CYS 20 -3.669 2.880 -4.083
97 HA CYS 20 HA CYS 20 -1.132 1.429 -4.781
98 HB2 CYS 20 HB2 CYS 20 -1.269 2.139 -2.381
99 HB3 CYS 20 HB3 CYS 20 -2.745 1.169 -2.218
100 H ARG 21 H ARG 21 -1.241 -0.734 -5.189
101 HA ARG 21 HA ARG 21 -3.842 -1.739 -6.225
102 HB2 ARG 21 HB2 ARG 21 -1.176 -3.168 -5.737
103 HB3 ARG 21 HB3 ARG 21 -2.578 -3.967 -6.432
104 HG2 ARG 21 HG2 ARG 21 -1.133 -1.605 -7.721
105 HG3 ARG 21 HG3 ARG 21 -0.876 -3.309 -8.086
106 HD2 ARG 21 HD2 ARG 21 -3.404 -3.394 -8.620
107 HD3 ARG 21 HD3 ARG 21 -3.333 -1.621 -8.652
108 HE ARG 21 HE ARG 21 -1.236 -2.325 -10.265
109 HH11 ARG 21 HH11 ARG 21 -4.705 -2.999 -10.454
110 HH12 ARG 21 HH12 ARG 21 -4.611 -3.803 -11.973
111 HH21 ARG 21 HH21 ARG 21 -1.137 -3.092 -12.340
112 HH22 ARG 21 HH22 ARG 21 -2.519 -3.807 -13.136
113 H CYS 22 H CYS 22 -2.091 -1.950 -3.337
114 HA CYS 22 HA CYS 22 -4.134 -3.668 -2.063
115 HB2 CYS 22 HB2 CYS 22 -2.650 -4.495 -0.590
116 HB3 CYS 22 HB3 CYS 22 -1.697 -4.395 -2.044
117 H THR 23 H THR 23 -5.596 -2.156 -1.884
118 HA THR 23 HA THR 23 -5.009 0.254 -0.246
119 HB THR 23 HB THR 23 -5.697 0.819 -2.552
120 HG1 THR 23 HG1 THR 23 -6.317 2.097 -0.747
121 HG21 THR 23 HG21 THR 23 -8.291 -0.646 -1.895
122 HG22 THR 23 HG22 THR 23 -7.115 -1.073 -3.164
123 HG23 THR 23 HG23 THR 23 -8.036 0.442 -3.264
124 H SER 24 H SER 24 -7.496 0.830 0.761
125 HA SER 24 HA SER 24 -8.668 -1.607 1.825
126 HB2 SER 24 HB2 SER 24 -8.448 -0.409 4.165
127 HB3 SER 24 HB3 SER 24 -7.181 -1.468 3.545
128 HG SER 24 HG SER 24 -6.999 1.065 4.274
129 H ALA 25 H ALA 25 -10.757 -1.280 2.564
130 HA ALA 25 HA ALA 25 -12.085 1.300 2.466
131 HB1 ALA 25 HB1 ALA 25 -12.722 -0.959 0.505
132 HB2 ALA 25 HB2 ALA 25 -13.739 0.459 0.767
133 HB3 ALA 25 HB3 ALA 25 -12.119 0.660 0.073
134 H ARG 26 H ARG 26 -14.611 0.678 2.993
135 HA ARG 26 HA ARG 26 -14.812 -1.833 4.498
136 HB2 ARG 26 HB2 ARG 26 -13.789 0.242 5.872
137 HB3 ARG 26 HB3 ARG 26 -15.473 0.719 5.992
138 HG2 ARG 26 HG2 ARG 26 -14.254 -1.963 6.835
139 HG3 ARG 26 HG3 ARG 26 -14.564 -0.609 7.914
140 HD2 ARG 26 HD2 ARG 26 -16.675 -2.221 6.436
141 HD3 ARG 26 HD3 ARG 26 -16.287 -2.310 8.136
142 HE ARG 26 HE ARG 26 -16.896 0.141 8.272
143 HH11 ARG 26 HH11 ARG 26 -18.419 -1.582 5.611
144 HH12 ARG 26 HH12 ARG 26 -20.020 -1.040 6.003
145 HH21 ARG 26 HH21 ARG 26 -18.835 1.082 8.557
146 HH22 ARG 26 HH22 ARG 26 -20.309 0.455 7.841
Start of MODEL 12
1 H1 GLY 1 H GLY 1 14.028 3.768 7.765
2 HA2 GLY 1 HA2 GLY 1 11.384 3.317 9.004
3 HA3 GLY 1 HA3 GLY 1 11.652 4.294 7.548
4 H SER 2 H SER 2 10.418 1.466 8.485
5 HA SER 2 HA SER 2 10.532 0.234 5.903
6 HB2 SER 2 HB2 SER 2 12.773 -0.468 6.780
7 HB3 SER 2 HB3 SER 2 11.981 -1.163 8.204
8 HG SER 2 HG SER 2 12.260 -2.797 6.822
9 H GLY 3 H GLY 3 8.266 0.319 6.111
10 HA2 GLY 3 HA2 GLY 3 7.034 -1.196 8.393
11 HA3 GLY 3 HA3 GLY 3 6.278 0.195 7.588
12 H CYS 4 H CYS 4 5.456 -0.042 5.512
13 HA CYS 4 HA CYS 4 4.744 -2.777 4.611
14 HB2 CYS 4 HB2 CYS 4 3.253 -0.699 4.743
15 HB3 CYS 4 HB3 CYS 4 4.131 -0.090 3.336
16 H ASP 5 H ASP 5 5.079 -3.371 2.316
17 HA ASP 5 HA ASP 5 7.557 -2.289 1.162
18 HB2 ASP 5 HB2 ASP 5 8.087 -4.613 0.611
19 HB3 ASP 5 HB3 ASP 5 7.885 -4.435 2.342
20 H ASP 6 H ASP 6 7.733 -3.263 -1.058
21 HA ASP 6 HA ASP 6 5.695 -2.229 -2.761
22 HB2 ASP 6 HB2 ASP 6 8.120 -2.430 -3.341
23 HB3 ASP 6 HB3 ASP 6 7.938 -4.181 -3.372
24 H LYS 7 H LYS 7 6.468 -5.503 -1.587
25 HA LYS 7 HA LYS 7 4.842 -6.905 -3.399
26 HB2 LYS 7 HB2 LYS 7 5.493 -7.628 -0.518
27 HB3 LYS 7 HB3 LYS 7 4.737 -8.678 -1.701
28 HG2 LYS 7 HG2 LYS 7 6.776 -9.310 -2.463
29 HG3 LYS 7 HG3 LYS 7 7.034 -7.683 -3.032
30 HD2 LYS 7 HD2 LYS 7 8.907 -8.154 -1.692
31 HD3 LYS 7 HD3 LYS 7 7.916 -7.082 -0.726
32 HE2 LYS 7 HE2 LYS 7 8.750 -8.780 0.717
33 HE3 LYS 7 HE3 LYS 7 7.041 -9.124 0.499
34 HZ1 LYS 7 HZ1 LYS 7 7.663 -10.915 -1.028
35 HZ2 LYS 7 HZ2 LYS 7 8.499 -11.084 0.352
36 HZ3 LYS 7 HZ3 LYS 7 9.255 -10.487 -0.960
37 H CYS 8 H CYS 8 3.909 -5.203 -0.350
38 HA CYS 8 HA CYS 8 1.183 -6.120 -0.534
39 HB2 CYS 8 HB2 CYS 8 2.306 -5.362 1.528
40 HB3 CYS 8 HB3 CYS 8 2.456 -3.760 0.840
41 H GLY 9 H GLY 9 2.529 -4.381 -3.066
42 HA2 GLY 9 HA2 GLY 9 1.586 -3.064 -4.644
43 HA3 GLY 9 HA3 GLY 9 0.025 -3.280 -3.850
44 H CYS 10 H CYS 10 3.096 -1.993 -2.681
45 HA CYS 10 HA CYS 10 1.835 0.673 -2.250
46 HB2 CYS 10 HB2 CYS 10 3.204 -0.899 -0.061
47 HB3 CYS 10 HB3 CYS 10 2.602 0.723 0.108
48 H ALA 11 H ALA 11 3.089 2.332 -2.614
49 HA ALA 11 HA ALA 11 5.807 1.975 -3.482
50 HB1 ALA 11 HB1 ALA 11 5.843 4.386 -3.723
51 HB2 ALA 11 HB2 ALA 11 4.286 3.795 -4.314
52 HB3 ALA 11 HB3 ALA 11 4.409 4.568 -2.717
53 H VAL 12 H VAL 12 7.538 3.491 -2.341
54 HA VAL 12 HA VAL 12 7.354 3.158 0.624
55 HB VAL 12 HB VAL 12 9.740 2.608 -1.176
56 HG11 VAL 12 HG11 VAL 12 10.371 3.576 1.029
57 HG12 VAL 12 HG12 VAL 12 9.427 2.306 1.840
58 HG13 VAL 12 HG13 VAL 12 10.860 1.889 0.870
59 HG21 VAL 12 HG21 VAL 12 8.111 0.758 -1.297
60 HG22 VAL 12 HG22 VAL 12 9.518 0.271 -0.344
61 HG23 VAL 12 HG23 VAL 12 7.999 0.708 0.475
62 HA PRO 13 HA PRO 13 6.909 4.610 2.155
63 HB2 PRO 13 HB2 PRO 13 5.509 6.857 2.766
64 HB3 PRO 13 HB3 PRO 13 7.250 6.671 3.154
65 HG2 PRO 13 HG2 PRO 13 6.053 8.050 0.726
66 HG3 PRO 13 HG3 PRO 13 7.243 8.708 1.897
67 HD2 PRO 13 HD2 PRO 13 8.055 7.582 -0.423
68 HD3 PRO 13 HD3 PRO 13 8.959 7.322 1.106
69 H CYS 14 H CYS 14 4.581 4.243 2.495
70 HA CYS 14 HA CYS 14 3.236 3.695 0.007
71 HB2 CYS 14 HB2 CYS 14 2.970 2.367 2.091
72 HB3 CYS 14 HB3 CYS 14 2.086 3.700 2.837
73 HA PRO 15 HA PRO 15 1.525 7.798 -0.559
74 HB2 PRO 15 HB2 PRO 15 -0.817 7.104 -2.027
75 HB3 PRO 15 HB3 PRO 15 0.860 7.357 -2.685
76 HG2 PRO 15 HG2 PRO 15 -0.555 4.825 -1.924
77 HG3 PRO 15 HG3 PRO 15 0.456 5.156 -3.373
78 HD2 PRO 15 HD2 PRO 15 1.463 3.806 -1.279
79 HD3 PRO 15 HD3 PRO 15 2.449 5.041 -2.117
80 H GLY 16 H GLY 16 -0.833 5.272 0.130
81 HA2 GLY 16 HA2 GLY 16 -2.415 5.116 1.871
82 HA3 GLY 16 HA3 GLY 16 -1.964 6.751 2.429
83 H GLY 17 H GLY 17 -4.638 5.544 1.733
84 HA2 GLY 17 HA2 GLY 17 -6.606 6.277 0.787
85 HA3 GLY 17 HA3 GLY 17 -5.773 7.784 0.347
86 H THR 18 H THR 18 -6.371 7.996 -1.695
87 HA THR 18 HA THR 18 -7.102 6.393 -3.677
88 HB THR 18 HB THR 18 -5.767 8.296 -5.106
89 HG1 THR 18 HG1 THR 18 -4.750 9.167 -3.291
90 HG21 THR 18 HG21 THR 18 -8.276 8.847 -3.471
91 HG22 THR 18 HG22 THR 18 -8.219 7.899 -4.985
92 HG23 THR 18 HG23 THR 18 -7.784 9.590 -5.006
93 H GLY 19 H GLY 19 -6.256 4.502 -4.088
94 HA2 GLY 19 HA2 GLY 19 -4.899 3.414 -5.811
95 HA3 GLY 19 HA3 GLY 19 -3.532 4.418 -5.286
96 H CYS 20 H CYS 20 -4.530 3.791 -2.374
97 HA CYS 20 HA CYS 20 -2.634 1.669 -2.126
98 HB2 CYS 20 HB2 CYS 20 -2.697 3.514 -0.561
99 HB3 CYS 20 HB3 CYS 20 -4.256 2.917 0.039
100 H ARG 21 H ARG 21 -2.447 -0.051 -1.634
101 HA ARG 21 HA ARG 21 -4.616 -2.020 -1.415
102 HB2 ARG 21 HB2 ARG 21 -1.686 -2.208 -2.228
103 HB3 ARG 21 HB3 ARG 21 -2.660 -3.597 -1.815
104 HG2 ARG 21 HG2 ARG 21 -2.918 -3.661 -4.053
105 HG3 ARG 21 HG3 ARG 21 -4.313 -2.652 -3.643
106 HD2 ARG 21 HD2 ARG 21 -3.114 -0.650 -4.312
107 HD3 ARG 21 HD3 ARG 21 -1.616 -1.555 -4.534
108 HE ARG 21 HE ARG 21 -2.852 -2.877 -6.306
109 HH11 ARG 21 HH11 ARG 21 -3.428 0.667 -5.881
110 HH12 ARG 21 HH12 ARG 21 -3.987 0.804 -7.520
111 HH21 ARG 21 HH21 ARG 21 -3.464 -2.594 -8.309
112 HH22 ARG 21 HH22 ARG 21 -3.898 -1.045 -8.975
113 H CYS 22 H CYS 22 -4.940 -1.160 0.628
114 HA CYS 22 HA CYS 22 -3.460 -2.522 2.650
115 HB2 CYS 22 HB2 CYS 22 -3.286 0.459 2.943
116 HB3 CYS 22 HB3 CYS 22 -3.158 -0.638 4.264
117 H THR 23 H THR 23 -6.210 -0.289 2.020
118 HA THR 23 HA THR 23 -7.453 -0.848 4.528
119 HB THR 23 HB THR 23 -7.897 1.096 3.056
120 HG1 THR 23 HG1 THR 23 -9.440 0.737 4.496
121 HG21 THR 23 HG21 THR 23 -7.937 -0.042 0.827
122 HG22 THR 23 HG22 THR 23 -9.349 0.972 1.123
123 HG23 THR 23 HG23 THR 23 -9.490 -0.787 1.272
124 H SER 24 H SER 24 -9.736 -2.040 4.547
125 HA SER 24 HA SER 24 -9.364 -4.705 3.249
126 HB2 SER 24 HB2 SER 24 -11.108 -3.926 5.617
127 HB3 SER 24 HB3 SER 24 -10.812 -5.552 4.974
128 HG SER 24 HG SER 24 -9.466 -5.308 6.655
129 H ALA 25 H ALA 25 -11.313 -1.830 3.476
130 HA ALA 25 HA ALA 25 -13.732 -2.883 2.330
131 HB1 ALA 25 HB1 ALA 25 -12.708 -0.007 2.551
132 HB2 ALA 25 HB2 ALA 25 -14.398 -0.523 2.332
133 HB3 ALA 25 HB3 ALA 25 -13.560 -0.884 3.846
134 H ARG 26 H ARG 26 -14.569 -1.472 0.385
135 HA ARG 26 HA ARG 26 -12.642 -1.380 -1.867
136 HB2 ARG 26 HB2 ARG 26 -13.897 -3.506 -2.047
137 HB3 ARG 26 HB3 ARG 26 -15.414 -2.666 -1.738
138 HG2 ARG 26 HG2 ARG 26 -15.439 -2.987 -4.060
139 HG3 ARG 26 HG3 ARG 26 -14.946 -1.307 -3.886
140 HD2 ARG 26 HD2 ARG 26 -13.426 -2.083 -5.460
141 HD3 ARG 26 HD3 ARG 26 -12.512 -2.255 -3.949
142 HE ARG 26 HE ARG 26 -14.038 -4.626 -4.680
143 HH11 ARG 26 HH11 ARG 26 -10.954 -2.956 -5.365
144 HH12 ARG 26 HH12 ARG 26 -10.136 -4.471 -5.693
145 HH21 ARG 26 HH21 ARG 26 -12.909 -6.533 -5.183
146 HH22 ARG 26 HH22 ARG 26 -11.236 -6.446 -5.656
Start of MODEL 13
1 H1 GLY 1 H GLY 1 5.603 0.051 12.684
2 HA2 GLY 1 HA2 GLY 1 2.682 -0.472 12.628
3 HA3 GLY 1 HA3 GLY 1 3.391 1.138 12.558
4 H SER 2 H SER 2 3.642 1.971 10.502
5 HA SER 2 HA SER 2 2.883 0.471 8.218
6 HB2 SER 2 HB2 SER 2 2.720 2.946 8.449
7 HB3 SER 2 HB3 SER 2 4.487 3.053 8.341
8 HG SER 2 HG SER 2 4.272 3.015 6.307
9 H GLY 3 H GLY 3 4.307 0.041 6.312
10 HA2 GLY 3 HA2 GLY 3 7.023 -0.048 6.112
11 HA3 GLY 3 HA3 GLY 3 6.701 -1.428 7.161
12 H CYS 4 H CYS 4 4.531 -0.358 4.493
13 HA CYS 4 HA CYS 4 4.527 -3.097 3.441
14 HB2 CYS 4 HB2 CYS 4 3.205 -0.516 2.785
15 HB3 CYS 4 HB3 CYS 4 3.651 -1.496 1.389
16 H ASP 5 H ASP 5 5.164 -3.673 1.413
17 HA ASP 5 HA ASP 5 7.630 -2.369 0.374
18 HB2 ASP 5 HB2 ASP 5 7.652 -4.688 1.506
19 HB3 ASP 5 HB3 ASP 5 6.605 -5.165 0.146
20 H ASP 6 H ASP 6 7.893 -3.084 -1.878
21 HA ASP 6 HA ASP 6 5.720 -2.081 -3.532
22 HB2 ASP 6 HB2 ASP 6 8.067 -1.639 -4.083
23 HB3 ASP 6 HB3 ASP 6 8.287 -3.362 -4.451
24 H LYS 7 H LYS 7 6.839 -5.259 -2.540
25 HA LYS 7 HA LYS 7 5.428 -6.677 -4.579
26 HB2 LYS 7 HB2 LYS 7 5.695 -8.646 -3.310
27 HB3 LYS 7 HB3 LYS 7 7.156 -7.670 -3.121
28 HG2 LYS 7 HG2 LYS 7 6.244 -6.980 -0.836
29 HG3 LYS 7 HG3 LYS 7 4.947 -8.142 -1.093
30 HD2 LYS 7 HD2 LYS 7 6.325 -9.574 -0.051
31 HD3 LYS 7 HD3 LYS 7 7.084 -9.751 -1.624
32 HE2 LYS 7 HE2 LYS 7 8.021 -7.965 0.671
33 HE3 LYS 7 HE3 LYS 7 8.699 -9.526 0.220
34 HZ1 LYS 7 HZ1 LYS 7 8.814 -7.069 -1.431
35 HZ2 LYS 7 HZ2 LYS 7 9.438 -8.526 -1.894
36 HZ3 LYS 7 HZ3 LYS 7 10.025 -7.724 -0.598
37 H CYS 8 H CYS 8 4.323 -5.006 -1.799
38 HA CYS 8 HA CYS 8 1.603 -6.156 -1.886
39 HB2 CYS 8 HB2 CYS 8 2.600 -5.530 0.252
40 HB3 CYS 8 HB3 CYS 8 2.744 -3.851 -0.280
41 H GLY 9 H GLY 9 3.142 -4.127 -4.095
42 HA2 GLY 9 HA2 GLY 9 2.397 -2.764 -5.679
43 HA3 GLY 9 HA3 GLY 9 0.723 -3.126 -5.173
44 H CYS 10 H CYS 10 3.603 -1.706 -3.709
45 HA CYS 10 HA CYS 10 2.167 0.819 -3.140
46 HB2 CYS 10 HB2 CYS 10 3.477 -0.810 -0.942
47 HB3 CYS 10 HB3 CYS 10 2.780 0.801 -0.759
48 H ALA 11 H ALA 11 3.404 2.601 -3.257
49 HA ALA 11 HA ALA 11 6.115 2.461 -4.041
50 HB1 ALA 11 HB1 ALA 11 6.042 4.912 -3.790
51 HB2 ALA 11 HB2 ALA 11 4.574 4.329 -4.591
52 HB3 ALA 11 HB3 ALA 11 4.532 4.795 -2.870
53 H VAL 12 H VAL 12 7.919 3.732 -2.776
54 HA VAL 12 HA VAL 12 7.907 2.708 0.002
55 HB VAL 12 HB VAL 12 10.210 3.161 -1.887
56 HG11 VAL 12 HG11 VAL 12 11.532 2.043 -0.102
57 HG12 VAL 12 HG12 VAL 12 10.918 3.611 0.414
58 HG13 VAL 12 HG13 VAL 12 10.135 2.121 0.986
59 HG21 VAL 12 HG21 VAL 12 10.424 0.688 -1.736
60 HG22 VAL 12 HG22 VAL 12 8.956 0.595 -0.755
61 HG23 VAL 12 HG23 VAL 12 8.867 1.139 -2.439
62 HA PRO 13 HA PRO 13 7.376 3.396 1.862
63 HB2 PRO 13 HB2 PRO 13 6.179 4.998 3.646
64 HB3 PRO 13 HB3 PRO 13 7.963 4.781 3.629
65 HG2 PRO 13 HG2 PRO 13 6.325 7.074 2.475
66 HG3 PRO 13 HG3 PRO 13 7.840 7.125 3.458
67 HD2 PRO 13 HD2 PRO 13 7.789 7.291 0.697
68 HD3 PRO 13 HD3 PRO 13 9.164 6.656 1.658
69 H CYS 14 H CYS 14 4.993 2.995 2.473
70 HA CYS 14 HA CYS 14 3.354 3.533 0.154
71 HB2 CYS 14 HB2 CYS 14 3.196 1.459 1.602
72 HB3 CYS 14 HB3 CYS 14 2.463 2.440 2.850
73 HA PRO 15 HA PRO 15 1.901 7.453 1.930
74 HB2 PRO 15 HB2 PRO 15 -0.196 8.031 0.225
75 HB3 PRO 15 HB3 PRO 15 1.527 8.279 -0.154
76 HG2 PRO 15 HG2 PRO 15 -0.224 5.946 -0.958
77 HG3 PRO 15 HG3 PRO 15 0.904 6.884 -1.974
78 HD2 PRO 15 HD2 PRO 15 1.631 4.499 -0.887
79 HD3 PRO 15 HD3 PRO 15 2.797 5.850 -0.994
80 H GLY 16 H GLY 16 -0.346 4.888 1.019
81 HA2 GLY 16 HA2 GLY 16 -2.136 3.901 2.102
82 HA3 GLY 16 HA3 GLY 16 -1.516 4.600 3.620
83 H GLY 17 H GLY 17 -2.839 5.852 0.541
84 HA2 GLY 17 HA2 GLY 17 -5.327 6.756 1.299
85 HA3 GLY 17 HA3 GLY 17 -4.142 8.101 1.424
86 H THR 18 H THR 18 -5.126 9.074 -0.376
87 HA THR 18 HA THR 18 -5.655 8.206 -2.876
88 HB THR 18 HB THR 18 -4.776 10.612 -3.405
89 HG1 THR 18 HG1 THR 18 -5.089 11.673 -1.077
90 HG21 THR 18 HG21 THR 18 -6.849 11.573 -2.423
91 HG22 THR 18 HG22 THR 18 -7.034 10.143 -1.383
92 HG23 THR 18 HG23 THR 18 -7.172 10.001 -3.150
93 H GLY 19 H GLY 19 -4.453 6.785 -3.879
94 HA2 GLY 19 HA2 GLY 19 -2.701 6.685 -5.640
95 HA3 GLY 19 HA3 GLY 19 -1.576 7.397 -4.488
96 H CYS 20 H CYS 20 -3.672 5.156 -2.976
97 HA CYS 20 HA CYS 20 -1.639 2.942 -3.288
98 HB2 CYS 20 HB2 CYS 20 -1.388 3.985 -1.083
99 HB3 CYS 20 HB3 CYS 20 -3.128 3.814 -0.801
100 H ARG 21 H ARG 21 -2.323 0.863 -3.015
101 HA ARG 21 HA ARG 21 -5.236 0.316 -3.378
102 HB2 ARG 21 HB2 ARG 21 -4.744 -1.463 -4.853
103 HB3 ARG 21 HB3 ARG 21 -4.042 0.031 -5.427
104 HG2 ARG 21 HG2 ARG 21 -2.063 -0.926 -5.697
105 HG3 ARG 21 HG3 ARG 21 -1.959 -1.238 -3.980
106 HD2 ARG 21 HD2 ARG 21 -1.595 -3.265 -5.398
107 HD3 ARG 21 HD3 ARG 21 -2.893 -3.454 -4.221
108 HE ARG 21 HE ARG 21 -4.293 -3.936 -5.897
109 HH11 ARG 21 HH11 ARG 21 -1.609 -2.179 -7.463
110 HH12 ARG 21 HH12 ARG 21 -2.448 -1.961 -8.941
111 HH21 ARG 21 HH21 ARG 21 -5.327 -3.788 -7.911
112 HH22 ARG 21 HH22 ARG 21 -4.605 -2.947 -9.240
113 H CYS 22 H CYS 22 -4.380 0.409 -0.709
114 HA CYS 22 HA CYS 22 -3.913 -2.486 -0.035
115 HB2 CYS 22 HB2 CYS 22 -3.693 -0.171 1.914
116 HB3 CYS 22 HB3 CYS 22 -3.598 -1.861 2.271
117 H THR 23 H THR 23 -5.771 0.289 1.272
118 HA THR 23 HA THR 23 -7.763 -1.337 2.386
119 HB THR 23 HB THR 23 -7.021 0.956 3.030
120 HG1 THR 23 HG1 THR 23 -9.412 1.628 3.286
121 HG21 THR 23 HG21 THR 23 -7.280 2.021 0.739
122 HG22 THR 23 HG22 THR 23 -7.937 2.913 2.099
123 HG23 THR 23 HG23 THR 23 -9.033 2.003 1.052
124 H SER 24 H SER 24 -7.283 -0.454 -0.897
125 HA SER 24 HA SER 24 -9.657 -0.299 -2.172
126 HB2 SER 24 HB2 SER 24 -7.348 -0.285 -3.151
127 HB3 SER 24 HB3 SER 24 -7.312 -2.043 -3.042
128 HG SER 24 HG SER 24 -9.289 -1.910 -4.447
129 H ALA 25 H ALA 25 -8.088 -3.557 -1.705
130 HA ALA 25 HA ALA 25 -10.704 -4.834 -2.087
131 HB1 ALA 25 HB1 ALA 25 -8.671 -5.678 -3.261
132 HB2 ALA 25 HB2 ALA 25 -7.951 -6.074 -1.676
133 HB3 ALA 25 HB3 ALA 25 -9.445 -6.872 -2.219
134 H ARG 26 H ARG 26 -11.834 -5.757 -0.456
135 HA ARG 26 HA ARG 26 -11.483 -4.943 2.205
136 HB2 ARG 26 HB2 ARG 26 -13.656 -5.582 1.091
137 HB3 ARG 26 HB3 ARG 26 -13.149 -7.272 1.169
138 HG2 ARG 26 HG2 ARG 26 -14.634 -6.886 2.987
139 HG3 ARG 26 HG3 ARG 26 -13.022 -7.031 3.689
140 HD2 ARG 26 HD2 ARG 26 -12.877 -4.549 3.863
141 HD3 ARG 26 HD3 ARG 26 -14.445 -4.403 3.077
142 HE ARG 26 HE ARG 26 -15.503 -5.445 4.946
143 HH11 ARG 26 HH11 ARG 26 -12.098 -4.653 5.702
144 HH12 ARG 26 HH12 ARG 26 -12.345 -4.789 7.410
145 HH21 ARG 26 HH21 ARG 26 -15.811 -5.530 7.107
146 HH22 ARG 26 HH22 ARG 26 -14.533 -5.163 8.240
Start of MODEL 14
1 H1 GLY 1 H GLY 1 3.080 2.690 12.741
2 HA2 GLY 1 HA2 GLY 1 1.947 1.194 10.449
3 HA3 GLY 1 HA3 GLY 1 2.748 2.780 10.346
4 H SER 2 H SER 2 3.159 -0.534 10.019
5 HA SER 2 HA SER 2 5.947 -0.771 10.851
6 HB2 SER 2 HB2 SER 2 4.405 -2.786 9.204
7 HB3 SER 2 HB3 SER 2 5.660 -3.057 10.414
8 HG SER 2 HG SER 2 3.850 -3.601 11.426
9 H GLY 3 H GLY 3 6.739 -2.493 8.619
10 HA2 GLY 3 HA2 GLY 3 7.696 -0.437 6.785
11 HA3 GLY 3 HA3 GLY 3 8.075 -2.174 6.799
12 H CYS 4 H CYS 4 7.631 -1.138 4.398
13 HA CYS 4 HA CYS 4 5.275 -2.504 3.495
14 HB2 CYS 4 HB2 CYS 4 4.485 -0.067 3.917
15 HB3 CYS 4 HB3 CYS 4 5.597 0.358 2.581
16 H ASP 5 H ASP 5 5.503 -2.996 1.329
17 HA ASP 5 HA ASP 5 8.040 -2.334 -0.038
18 HB2 ASP 5 HB2 ASP 5 8.251 -4.708 -0.686
19 HB3 ASP 5 HB3 ASP 5 8.340 -4.493 1.057
20 H ASP 6 H ASP 6 7.916 -3.297 -2.258
21 HA ASP 6 HA ASP 6 5.830 -2.042 -3.766
22 HB2 ASP 6 HB2 ASP 6 7.161 -2.829 -5.627
23 HB3 ASP 6 HB3 ASP 6 8.248 -2.156 -4.406
24 H LYS 7 H LYS 7 6.506 -5.272 -2.490
25 HA LYS 7 HA LYS 7 4.909 -6.834 -4.245
26 HB2 LYS 7 HB2 LYS 7 5.427 -7.285 -1.268
27 HB3 LYS 7 HB3 LYS 7 4.747 -8.453 -2.372
28 HG2 LYS 7 HG2 LYS 7 6.822 -8.537 -3.662
29 HG3 LYS 7 HG3 LYS 7 7.519 -7.240 -2.694
30 HD2 LYS 7 HD2 LYS 7 8.439 -9.397 -2.031
31 HD3 LYS 7 HD3 LYS 7 7.556 -8.642 -0.697
32 HE2 LYS 7 HE2 LYS 7 5.655 -10.126 -1.026
33 HE3 LYS 7 HE3 LYS 7 6.365 -10.785 -2.502
34 HZ1 LYS 7 HZ1 LYS 7 6.570 -12.199 -0.557
35 HZ2 LYS 7 HZ2 LYS 7 7.558 -11.166 0.192
36 HZ3 LYS 7 HZ3 LYS 7 8.025 -11.865 -1.249
37 H CYS 8 H CYS 8 4.131 -4.861 -1.417
38 HA CYS 8 HA CYS 8 1.322 -5.503 -1.276
39 HB2 CYS 8 HB2 CYS 8 2.797 -4.630 0.576
40 HB3 CYS 8 HB3 CYS 8 2.904 -3.102 -0.290
41 H GLY 9 H GLY 9 2.763 -4.110 -3.895
42 HA2 GLY 9 HA2 GLY 9 2.089 -2.821 -5.602
43 HA3 GLY 9 HA3 GLY 9 0.447 -2.895 -4.927
44 H CYS 10 H CYS 10 3.080 -1.788 -3.049
45 HA CYS 10 HA CYS 10 1.958 1.015 -3.048
46 HB2 CYS 10 HB2 CYS 10 3.542 -0.422 -0.876
47 HB3 CYS 10 HB3 CYS 10 3.054 1.247 -0.802
48 H ALA 11 H ALA 11 3.182 2.698 -3.523
49 HA ALA 11 HA ALA 11 5.852 2.366 -4.536
50 HB1 ALA 11 HB1 ALA 11 4.268 4.868 -3.762
51 HB2 ALA 11 HB2 ALA 11 5.746 4.840 -4.740
52 HB3 ALA 11 HB3 ALA 11 4.274 4.096 -5.368
53 H VAL 12 H VAL 12 7.675 3.812 -3.555
54 HA VAL 12 HA VAL 12 7.662 3.635 -0.590
55 HB VAL 12 HB VAL 12 9.954 3.071 -2.493
56 HG11 VAL 12 HG11 VAL 12 11.154 2.313 -0.542
57 HG12 VAL 12 HG12 VAL 12 10.546 3.915 -0.159
58 HG13 VAL 12 HG13 VAL 12 9.720 2.481 0.481
59 HG21 VAL 12 HG21 VAL 12 9.671 0.693 -1.765
60 HG22 VAL 12 HG22 VAL 12 8.159 1.145 -0.943
61 HG23 VAL 12 HG23 VAL 12 8.312 1.259 -2.710
62 HA PRO 13 HA PRO 13 7.639 4.975 1.041
63 HB2 PRO 13 HB2 PRO 13 6.578 7.248 2.071
64 HB3 PRO 13 HB3 PRO 13 8.339 6.919 2.128
65 HG2 PRO 13 HG2 PRO 13 6.819 8.588 0.091
66 HG3 PRO 13 HG3 PRO 13 8.290 9.053 1.023
67 HD2 PRO 13 HD2 PRO 13 8.423 8.063 -1.525
68 HD3 PRO 13 HD3 PRO 13 9.662 7.681 -0.310
69 H CYS 14 H CYS 14 5.276 4.857 1.725
70 HA CYS 14 HA CYS 14 3.610 4.669 -0.646
71 HB2 CYS 14 HB2 CYS 14 3.623 3.077 1.208
72 HB3 CYS 14 HB3 CYS 14 2.870 4.267 2.258
73 HA PRO 15 HA PRO 15 2.346 8.943 -0.289
74 HB2 PRO 15 HB2 PRO 15 -0.221 8.399 -1.655
75 HB3 PRO 15 HB3 PRO 15 1.159 9.353 -2.220
76 HG2 PRO 15 HG2 PRO 15 0.374 6.743 -3.066
77 HG3 PRO 15 HG3 PRO 15 1.869 7.599 -3.510
78 HD2 PRO 15 HD2 PRO 15 1.540 5.328 -1.722
79 HD3 PRO 15 HD3 PRO 15 3.061 6.134 -2.270
80 H GLY 16 H GLY 16 -0.148 6.485 0.245
81 HA2 GLY 16 HA2 GLY 16 -1.220 6.301 2.466
82 HA3 GLY 16 HA3 GLY 16 -1.399 8.082 2.448
83 H GLY 17 H GLY 17 -3.740 7.682 2.547
84 HA2 GLY 17 HA2 GLY 17 -5.568 6.255 1.357
85 HA3 GLY 17 HA3 GLY 17 -5.744 8.005 1.356
86 H THR 18 H THR 18 -4.435 9.094 -0.612
87 HA THR 18 HA THR 18 -5.647 8.304 -2.967
88 HB THR 18 HB THR 18 -3.101 9.947 -2.749
89 HG1 THR 18 HG1 THR 18 -4.799 11.680 -2.727
90 HG21 THR 18 HG21 THR 18 -4.019 9.311 -5.047
91 HG22 THR 18 HG22 THR 18 -3.875 11.037 -4.739
92 HG23 THR 18 HG23 THR 18 -5.467 10.251 -4.645
93 H GLY 19 H GLY 19 -5.315 6.252 -3.742
94 HA2 GLY 19 HA2 GLY 19 -4.270 4.764 -5.149
95 HA3 GLY 19 HA3 GLY 19 -2.724 5.607 -4.946
96 H CYS 20 H CYS 20 -4.308 4.736 -1.906
97 HA CYS 20 HA CYS 20 -2.227 2.685 -1.693
98 HB2 CYS 20 HB2 CYS 20 -2.201 4.362 -0.021
99 HB3 CYS 20 HB3 CYS 20 -3.732 3.663 0.620
100 H ARG 21 H ARG 21 -2.196 0.887 -1.686
101 HA ARG 21 HA ARG 21 -4.395 -0.960 -1.151
102 HB2 ARG 21 HB2 ARG 21 -2.493 -2.519 -2.142
103 HB3 ARG 21 HB3 ARG 21 -3.701 -1.751 -3.135
104 HG2 ARG 21 HG2 ARG 21 -0.977 -0.495 -2.708
105 HG3 ARG 21 HG3 ARG 21 -1.260 -1.755 -3.909
106 HD2 ARG 21 HD2 ARG 21 -2.897 0.814 -3.896
107 HD3 ARG 21 HD3 ARG 21 -1.381 0.665 -4.767
108 HE ARG 21 HE ARG 21 -3.964 -0.496 -5.422
109 HH11 ARG 21 HH11 ARG 21 -0.478 -0.606 -6.173
110 HH12 ARG 21 HH12 ARG 21 -0.764 -1.289 -7.746
111 HH21 ARG 21 HH21 ARG 21 -4.282 -1.544 -7.281
112 HH22 ARG 21 HH22 ARG 21 -2.988 -2.008 -8.350
113 H CYS 22 H CYS 22 -4.212 -0.501 0.899
114 HA CYS 22 HA CYS 22 -2.290 -1.989 2.429
115 HB2 CYS 22 HB2 CYS 22 -2.364 0.950 3.183
116 HB3 CYS 22 HB3 CYS 22 -1.920 -0.347 4.247
117 H THR 23 H THR 23 -5.409 -0.744 1.952
118 HA THR 23 HA THR 23 -6.293 -1.479 4.657
119 HB THR 23 HB THR 23 -6.910 0.723 3.771
120 HG1 THR 23 HG1 THR 23 -8.568 0.081 4.970
121 HG21 THR 23 HG21 THR 23 -6.881 0.374 1.351
122 HG22 THR 23 HG22 THR 23 -8.470 0.944 1.878
123 HG23 THR 23 HG23 THR 23 -8.234 -0.763 1.467
124 H SER 24 H SER 24 -8.025 -2.982 4.863
125 HA SER 24 HA SER 24 -8.124 -5.135 2.870
126 HB2 SER 24 HB2 SER 24 -9.424 -6.168 4.837
127 HB3 SER 24 HB3 SER 24 -7.721 -5.793 5.108
128 HG SER 24 HG SER 24 -9.874 -4.914 6.431
129 H ALA 25 H ALA 25 -9.189 -2.732 1.958
130 HA ALA 25 HA ALA 25 -11.983 -2.303 2.441
131 HB1 ALA 25 HB1 ALA 25 -10.607 -0.531 1.554
132 HB2 ALA 25 HB2 ALA 25 -10.137 -1.521 0.144
133 HB3 ALA 25 HB3 ALA 25 -11.808 -0.964 0.316
134 H ARG 26 H ARG 26 -13.053 -4.261 2.287
135 HA ARG 26 HA ARG 26 -14.420 -5.745 1.285
136 HB2 ARG 26 HB2 ARG 26 -14.401 -3.911 -0.700
137 HB3 ARG 26 HB3 ARG 26 -13.547 -5.223 -1.510
138 HG2 ARG 26 HG2 ARG 26 -15.595 -6.682 -0.573
139 HG3 ARG 26 HG3 ARG 26 -16.374 -5.117 -0.462
140 HD2 ARG 26 HD2 ARG 26 -16.976 -5.816 -2.617
141 HD3 ARG 26 HD3 ARG 26 -15.599 -4.761 -2.929
142 HE ARG 26 HE ARG 26 -14.381 -6.570 -3.656
143 HH11 ARG 26 HH11 ARG 26 -17.253 -7.863 -1.887
144 HH12 ARG 26 HH12 ARG 26 -16.804 -9.500 -2.267
145 HH21 ARG 26 HH21 ARG 26 -14.067 -8.791 -4.288
146 HH22 ARG 26 HH22 ARG 26 -15.020 -10.019 -3.503
Start of MODEL 15
1 H1 GLY 1 H GLY 1 5.926 -8.092 9.724
2 HA2 GLY 1 HA2 GLY 1 6.153 -6.416 7.288
3 HA3 GLY 1 HA3 GLY 1 5.576 -8.092 7.304
4 H SER 2 H SER 2 4.889 -4.973 8.954
5 HA SER 2 HA SER 2 1.964 -5.398 8.595
6 HB2 SER 2 HB2 SER 2 1.636 -4.457 10.830
7 HB3 SER 2 HB3 SER 2 2.663 -5.895 10.917
8 HG SER 2 HG SER 2 3.596 -4.314 12.167
9 H GLY 3 H GLY 3 4.729 -3.349 8.161
10 HA2 GLY 3 HA2 GLY 3 3.181 -0.827 7.966
11 HA3 GLY 3 HA3 GLY 3 4.938 -1.047 7.823
12 H CYS 4 H CYS 4 5.561 -0.569 5.690
13 HA CYS 4 HA CYS 4 4.409 -2.227 3.672
14 HB2 CYS 4 HB2 CYS 4 2.910 -0.101 3.845
15 HB3 CYS 4 HB3 CYS 4 4.275 0.706 3.042
16 H ASP 5 H ASP 5 5.642 -2.328 1.803
17 HA ASP 5 HA ASP 5 8.181 -0.869 1.707
18 HB2 ASP 5 HB2 ASP 5 8.081 -3.809 1.053
19 HB3 ASP 5 HB3 ASP 5 9.441 -2.835 1.597
20 H ASP 6 H ASP 6 9.119 -1.289 -0.405
21 HA ASP 6 HA ASP 6 7.631 -0.554 -2.632
22 HB2 ASP 6 HB2 ASP 6 9.788 -1.386 -3.809
23 HB3 ASP 6 HB3 ASP 6 9.972 -0.139 -2.578
24 H LYS 7 H LYS 7 8.598 -3.757 -1.517
25 HA LYS 7 HA LYS 7 8.016 -5.352 -3.741
26 HB2 LYS 7 HB2 LYS 7 7.584 -5.885 -0.770
27 HB3 LYS 7 HB3 LYS 7 7.357 -7.137 -1.981
28 HG2 LYS 7 HG2 LYS 7 9.988 -5.631 -1.823
29 HG3 LYS 7 HG3 LYS 7 9.621 -6.945 -0.718
30 HD2 LYS 7 HD2 LYS 7 9.267 -8.504 -2.619
31 HD3 LYS 7 HD3 LYS 7 9.574 -7.179 -3.749
32 HE2 LYS 7 HE2 LYS 7 11.591 -8.402 -3.627
33 HE3 LYS 7 HE3 LYS 7 11.863 -6.906 -2.736
34 HZ1 LYS 7 HZ1 LYS 7 11.337 -9.567 -1.507
35 HZ2 LYS 7 HZ2 LYS 7 11.592 -8.173 -0.671
36 HZ3 LYS 7 HZ3 LYS 7 12.776 -8.774 -1.604
37 H CYS 8 H CYS 8 5.795 -4.025 -1.385
38 HA CYS 8 HA CYS 8 3.446 -5.442 -2.212
39 HB2 CYS 8 HB2 CYS 8 3.962 -4.440 0.022
40 HB3 CYS 8 HB3 CYS 8 3.793 -2.840 -0.700
41 H GLY 9 H GLY 9 5.013 -3.044 -4.168
42 HA2 GLY 9 HA2 GLY 9 4.139 -1.764 -5.860
43 HA3 GLY 9 HA3 GLY 9 2.633 -2.705 -5.718
44 H CYS 10 H CYS 10 4.528 -0.655 -3.647
45 HA CYS 10 HA CYS 10 2.400 1.347 -3.275
46 HB2 CYS 10 HB2 CYS 10 3.545 -0.182 -0.917
47 HB3 CYS 10 HB3 CYS 10 2.615 1.269 -0.788
48 H ALA 11 H ALA 11 3.348 3.251 -3.197
49 HA ALA 11 HA ALA 11 6.176 3.653 -3.135
50 HB1 ALA 11 HB1 ALA 11 4.487 5.151 -4.287
51 HB2 ALA 11 HB2 ALA 11 3.958 5.700 -2.683
52 HB3 ALA 11 HB3 ALA 11 5.610 6.019 -3.231
53 H VAL 12 H VAL 12 7.021 5.462 -1.455
54 HA VAL 12 HA VAL 12 6.047 4.801 1.270
55 HB VAL 12 HB VAL 12 8.964 5.048 0.462
56 HG11 VAL 12 HG11 VAL 12 9.299 4.206 2.788
57 HG12 VAL 12 HG12 VAL 12 8.499 5.779 2.765
58 HG13 VAL 12 HG13 VAL 12 7.558 4.305 3.081
59 HG21 VAL 12 HG21 VAL 12 8.121 2.925 -0.416
60 HG22 VAL 12 HG22 VAL 12 9.094 2.612 1.009
61 HG23 VAL 12 HG23 VAL 12 7.321 2.552 1.125
62 HA PRO 13 HA PRO 13 4.964 5.930 2.750
63 HB2 PRO 13 HB2 PRO 13 2.896 7.693 3.001
64 HB3 PRO 13 HB3 PRO 13 4.421 7.867 3.914
65 HG2 PRO 13 HG2 PRO 13 3.633 9.253 1.331
66 HG3 PRO 13 HG3 PRO 13 4.307 9.987 2.820
67 HD2 PRO 13 HD2 PRO 13 5.883 9.340 0.681
68 HD3 PRO 13 HD3 PRO 13 6.475 9.140 2.353
69 H CYS 14 H CYS 14 2.904 4.876 2.330
70 HA CYS 14 HA CYS 14 2.437 4.403 -0.468
71 HB2 CYS 14 HB2 CYS 14 2.249 2.742 1.307
72 HB3 CYS 14 HB3 CYS 14 0.884 3.605 2.028
73 HA PRO 15 HA PRO 15 -0.489 7.745 -1.029
74 HB2 PRO 15 HB2 PRO 15 -1.719 7.065 -3.398
75 HB3 PRO 15 HB3 PRO 15 -0.042 7.647 -3.288
76 HG2 PRO 15 HG2 PRO 15 -1.024 4.776 -3.447
77 HG3 PRO 15 HG3 PRO 15 0.285 5.548 -4.396
78 HD2 PRO 15 HD2 PRO 15 0.822 4.049 -2.191
79 HD3 PRO 15 HD3 PRO 15 1.763 5.518 -2.562
80 H GLY 16 H GLY 16 -1.671 4.473 -0.787
81 HA2 GLY 16 HA2 GLY 16 -3.595 3.663 0.224
82 HA3 GLY 16 HA3 GLY 16 -4.199 5.321 0.429
83 H GLY 17 H GLY 17 -4.157 6.186 -2.224
84 HA2 GLY 17 HA2 GLY 17 -6.409 4.752 -3.469
85 HA3 GLY 17 HA3 GLY 17 -5.695 6.308 -3.938
86 H THR 18 H THR 18 -5.457 5.952 -6.039
87 HA THR 18 HA THR 18 -4.581 3.735 -7.384
88 HB THR 18 HB THR 18 -3.586 5.780 -8.934
89 HG1 THR 18 HG1 THR 18 -4.098 7.471 -7.679
90 HG21 THR 18 HG21 THR 18 -5.325 4.120 -9.541
91 HG22 THR 18 HG22 THR 18 -5.764 5.760 -10.028
92 HG23 THR 18 HG23 THR 18 -6.521 5.023 -8.588
93 H GLY 19 H GLY 19 -3.002 2.587 -6.868
94 HA2 GLY 19 HA2 GLY 19 -0.559 2.252 -7.294
95 HA3 GLY 19 HA3 GLY 19 -0.263 3.741 -6.383
96 H CYS 20 H CYS 20 -2.901 1.909 -5.020
97 HA CYS 20 HA CYS 20 -0.981 0.754 -3.069
98 HB2 CYS 20 HB2 CYS 20 -2.270 2.652 -2.182
99 HB3 CYS 20 HB3 CYS 20 -3.762 1.761 -2.551
100 H ARG 21 H ARG 21 -0.785 -1.333 -3.919
101 HA ARG 21 HA ARG 21 -3.177 -3.000 -4.164
102 HB2 ARG 21 HB2 ARG 21 -0.216 -3.688 -3.976
103 HB3 ARG 21 HB3 ARG 21 -1.475 -4.829 -4.392
104 HG2 ARG 21 HG2 ARG 21 -0.875 -2.324 -6.023
105 HG3 ARG 21 HG3 ARG 21 -0.131 -3.889 -6.327
106 HD2 ARG 21 HD2 ARG 21 -3.156 -3.514 -6.269
107 HD3 ARG 21 HD3 ARG 21 -2.181 -3.299 -7.719
108 HE ARG 21 HE ARG 21 -1.779 -5.864 -6.340
109 HH11 ARG 21 HH11 ARG 21 -3.740 -4.154 -8.708
110 HH12 ARG 21 HH12 ARG 21 -4.041 -5.513 -9.726
111 HH21 ARG 21 HH21 ARG 21 -1.866 -7.644 -7.818
112 HH22 ARG 21 HH22 ARG 21 -3.039 -7.633 -9.085
113 H CYS 22 H CYS 22 -3.336 -1.750 -1.681
114 HA CYS 22 HA CYS 22 -3.470 -3.856 0.123
115 HB2 CYS 22 HB2 CYS 22 -1.935 -3.477 1.700
116 HB3 CYS 22 HB3 CYS 22 -1.081 -3.338 0.165
117 H THR 23 H THR 23 -5.534 -2.434 -0.750
118 HA THR 23 HA THR 23 -6.086 -0.468 1.407
119 HB THR 23 HB THR 23 -6.070 0.575 -0.829
120 HG1 THR 23 HG1 THR 23 -7.504 1.460 0.542
121 HG21 THR 23 HG21 THR 23 -7.886 -0.024 -2.460
122 HG22 THR 23 HG22 THR 23 -8.193 -1.500 -1.538
123 HG23 THR 23 HG23 THR 23 -6.616 -1.237 -2.323
124 H SER 24 H SER 24 -8.425 -0.702 2.177
125 HA SER 24 HA SER 24 -9.604 -3.312 1.678
126 HB2 SER 24 HB2 SER 24 -9.740 -3.661 4.225
127 HB3 SER 24 HB3 SER 24 -8.250 -4.098 3.396
128 HG SER 24 HG SER 24 -8.395 -2.726 5.483
129 H ALA 25 H ALA 25 -11.694 -3.432 2.187
130 HA ALA 25 HA ALA 25 -13.190 -0.936 2.191
131 HB1 ALA 25 HB1 ALA 25 -13.782 -2.983 0.834
132 HB2 ALA 25 HB2 ALA 25 -14.106 -3.854 2.351
133 HB3 ALA 25 HB3 ALA 25 -15.095 -2.456 1.895
134 H ARG 26 H ARG 26 -15.294 -1.102 3.677
135 HA ARG 26 HA ARG 26 -14.539 -1.743 6.488
136 HB2 ARG 26 HB2 ARG 26 -16.056 0.689 5.436
137 HB3 ARG 26 HB3 ARG 26 -15.951 0.191 7.136
138 HG2 ARG 26 HG2 ARG 26 -13.413 0.252 6.894
139 HG3 ARG 26 HG3 ARG 26 -13.657 1.045 5.328
140 HD2 ARG 26 HD2 ARG 26 -14.723 2.935 6.354
141 HD3 ARG 26 HD3 ARG 26 -14.850 2.095 7.914
142 HE ARG 26 HE ARG 26 -12.172 2.071 7.317
143 HH11 ARG 26 HH11 ARG 26 -14.652 4.528 8.048
144 HH12 ARG 26 HH12 ARG 26 -13.501 5.753 8.486
145 HH21 ARG 26 HH21 ARG 26 -10.681 3.647 8.071
146 HH22 ARG 26 HH22 ARG 26 -11.196 5.198 8.626
Start of MODEL 16
1 H1 GLY 1 H GLY 1 6.835 7.844 5.573
2 HA2 GLY 1 HA2 GLY 1 5.200 6.664 7.751
3 HA3 GLY 1 HA3 GLY 1 4.902 6.399 6.023
4 H SER 2 H SER 2 5.323 4.299 7.844
5 HA SER 2 HA SER 2 7.858 3.087 6.842
6 HB2 SER 2 HB2 SER 2 6.650 2.985 9.654
7 HB3 SER 2 HB3 SER 2 8.020 2.004 9.105
8 HG SER 2 HG SER 2 7.965 4.865 9.215
9 H GLY 3 H GLY 3 7.830 0.708 7.227
10 HA2 GLY 3 HA2 GLY 3 7.022 -1.364 7.153
11 HA3 GLY 3 HA3 GLY 3 5.382 -0.791 7.499
12 H CYS 4 H CYS 4 6.015 -2.860 5.775
13 HA CYS 4 HA CYS 4 5.333 -3.791 3.837
14 HB2 CYS 4 HB2 CYS 4 3.391 -2.283 4.156
15 HB3 CYS 4 HB3 CYS 4 4.155 -1.105 3.091
16 H ASP 5 H ASP 5 5.898 -3.840 1.501
17 HA ASP 5 HA ASP 5 8.064 -2.011 0.704
18 HB2 ASP 5 HB2 ASP 5 8.331 -4.979 1.265
19 HB3 ASP 5 HB3 ASP 5 9.271 -4.240 -0.030
20 H ASP 6 H ASP 6 8.724 -2.664 -1.623
21 HA ASP 6 HA ASP 6 6.433 -2.357 -3.239
22 HB2 ASP 6 HB2 ASP 6 8.637 -1.544 -3.929
23 HB3 ASP 6 HB3 ASP 6 9.171 -3.231 -4.148
24 H LYS 7 H LYS 7 8.048 -5.322 -2.239
25 HA LYS 7 HA LYS 7 6.933 -7.073 -4.116
26 HB2 LYS 7 HB2 LYS 7 7.146 -8.835 -2.402
27 HB3 LYS 7 HB3 LYS 7 8.578 -7.836 -2.586
28 HG2 LYS 7 HG2 LYS 7 7.837 -6.542 -0.498
29 HG3 LYS 7 HG3 LYS 7 6.554 -7.740 -0.319
30 HD2 LYS 7 HD2 LYS 7 8.292 -8.475 1.109
31 HD3 LYS 7 HD3 LYS 7 8.390 -9.524 -0.312
32 HE2 LYS 7 HE2 LYS 7 10.237 -8.027 -1.204
33 HE3 LYS 7 HE3 LYS 7 10.144 -7.089 0.291
34 HZ1 LYS 7 HZ1 LYS 7 10.932 -9.927 0.050
35 HZ2 LYS 7 HZ2 LYS 7 10.691 -9.207 1.483
36 HZ3 LYS 7 HZ3 LYS 7 11.887 -8.664 0.530
37 H CYS 8 H CYS 8 5.273 -5.410 -1.495
38 HA CYS 8 HA CYS 8 2.821 -7.028 -1.787
39 HB2 CYS 8 HB2 CYS 8 3.519 -6.306 0.401
40 HB3 CYS 8 HB3 CYS 8 3.610 -4.632 -0.128
41 H GLY 9 H GLY 9 4.070 -4.781 -3.957
42 HA2 GLY 9 HA2 GLY 9 3.104 -3.632 -5.604
43 HA3 GLY 9 HA3 GLY 9 1.503 -4.186 -5.045
44 H CYS 10 H CYS 10 4.212 -2.297 -3.759
45 HA CYS 10 HA CYS 10 2.470 0.028 -3.365
46 HB2 CYS 10 HB2 CYS 10 3.904 -1.030 -0.904
47 HB3 CYS 10 HB3 CYS 10 2.705 0.289 -1.059
48 H ALA 11 H ALA 11 3.480 2.000 -3.127
49 HA ALA 11 HA ALA 11 6.196 2.231 -3.915
50 HB1 ALA 11 HB1 ALA 11 5.817 4.620 -3.579
51 HB2 ALA 11 HB2 ALA 11 4.379 3.902 -4.317
52 HB3 ALA 11 HB3 ALA 11 4.387 4.286 -2.576
53 H VAL 12 H VAL 12 7.742 3.735 -2.541
54 HA VAL 12 HA VAL 12 7.802 2.658 0.220
55 HB VAL 12 HB VAL 12 10.250 3.306 -1.406
56 HG11 VAL 12 HG11 VAL 12 10.449 3.048 1.064
57 HG12 VAL 12 HG12 VAL 12 9.699 1.439 0.952
58 HG13 VAL 12 HG13 VAL 12 11.281 1.754 0.196
59 HG21 VAL 12 HG21 VAL 12 10.430 0.846 -1.838
60 HG22 VAL 12 HG22 VAL 12 8.720 0.670 -1.343
61 HG23 VAL 12 HG23 VAL 12 9.167 1.629 -2.769
62 HA PRO 13 HA PRO 13 7.217 3.340 2.017
63 HB2 PRO 13 HB2 PRO 13 5.807 4.843 3.716
64 HB3 PRO 13 HB3 PRO 13 7.597 4.775 3.782
65 HG2 PRO 13 HG2 PRO 13 5.866 6.899 2.482
66 HG3 PRO 13 HG3 PRO 13 7.253 7.103 3.602
67 HD2 PRO 13 HD2 PRO 13 7.431 7.195 0.822
68 HD3 PRO 13 HD3 PRO 13 8.798 6.739 1.864
69 H CYS 14 H CYS 14 4.829 2.888 2.443
70 HA CYS 14 HA CYS 14 3.382 3.166 -0.031
71 HB2 CYS 14 HB2 CYS 14 3.326 1.262 1.711
72 HB3 CYS 14 HB3 CYS 14 2.313 2.325 2.669
73 HA PRO 15 HA PRO 15 1.375 7.049 1.024
74 HB2 PRO 15 HB2 PRO 15 -0.895 6.961 -0.574
75 HB3 PRO 15 HB3 PRO 15 0.751 7.362 -1.147
76 HG2 PRO 15 HG2 PRO 15 -0.715 4.737 -1.296
77 HG3 PRO 15 HG3 PRO 15 0.277 5.538 -2.540
78 HD2 PRO 15 HD2 PRO 15 1.250 3.524 -0.982
79 HD3 PRO 15 HD3 PRO 15 2.294 4.869 -1.509
80 H GLY 16 H GLY 16 -0.789 4.219 0.819
81 HA2 GLY 16 HA2 GLY 16 -1.892 3.235 2.673
82 HA3 GLY 16 HA3 GLY 16 -1.858 4.755 3.517
83 H GLY 17 H GLY 17 -3.041 6.431 1.369
84 HA2 GLY 17 HA2 GLY 17 -5.779 5.970 1.921
85 HA3 GLY 17 HA3 GLY 17 -5.105 7.129 0.771
86 H THR 18 H THR 18 -7.261 6.366 -0.263
87 HA THR 18 HA THR 18 -7.898 4.009 -1.347
88 HB THR 18 HB THR 18 -8.133 6.749 -2.662
89 HG1 THR 18 HG1 THR 18 -10.135 6.691 -1.359
90 HG21 THR 18 HG21 THR 18 -8.965 4.908 -4.110
91 HG22 THR 18 HG22 THR 18 -10.288 5.909 -3.513
92 HG23 THR 18 HG23 THR 18 -9.975 4.327 -2.770
93 H GLY 19 H GLY 19 -5.402 6.175 -2.658
94 HA2 GLY 19 HA2 GLY 19 -4.968 4.914 -5.153
95 HA3 GLY 19 HA3 GLY 19 -3.822 5.943 -4.277
96 H CYS 20 H CYS 20 -4.447 3.427 -2.139
97 HA CYS 20 HA CYS 20 -2.123 1.820 -3.111
98 HB2 CYS 20 HB2 CYS 20 -1.650 2.782 -0.890
99 HB3 CYS 20 HB3 CYS 20 -3.243 2.299 -0.322
100 H ARG 21 H ARG 21 -2.406 -0.428 -3.216
101 HA ARG 21 HA ARG 21 -5.235 -1.344 -3.127
102 HB2 ARG 21 HB2 ARG 21 -4.486 -3.346 -4.251
103 HB3 ARG 21 HB3 ARG 21 -3.946 -1.887 -5.086
104 HG2 ARG 21 HG2 ARG 21 -1.674 -2.216 -4.379
105 HG3 ARG 21 HG3 ARG 21 -2.155 -3.402 -3.177
106 HD2 ARG 21 HD2 ARG 21 -1.080 -4.441 -5.115
107 HD3 ARG 21 HD3 ARG 21 -2.715 -5.015 -4.790
108 HE ARG 21 HE ARG 21 -3.347 -4.392 -6.867
109 HH11 ARG 21 HH11 ARG 21 -0.429 -2.335 -6.241
110 HH12 ARG 21 HH12 ARG 21 -0.434 -1.817 -7.890
111 HH21 ARG 21 HH21 ARG 21 -3.207 -3.630 -8.967
112 HH22 ARG 21 HH22 ARG 21 -1.906 -2.596 -9.432
113 H CYS 22 H CYS 22 -3.320 -1.042 -0.687
114 HA CYS 22 HA CYS 22 -3.306 -3.712 0.521
115 HB2 CYS 22 HB2 CYS 22 -2.880 -1.129 2.042
116 HB3 CYS 22 HB3 CYS 22 -2.692 -2.739 2.650
117 H THR 23 H THR 23 -5.582 -0.876 0.842
118 HA THR 23 HA THR 23 -6.697 -1.983 3.255
119 HB THR 23 HB THR 23 -6.815 0.379 2.792
120 HG1 THR 23 HG1 THR 23 -9.183 0.560 3.050
121 HG21 THR 23 HG21 THR 23 -8.387 1.347 1.166
122 HG22 THR 23 HG22 THR 23 -8.723 -0.274 0.535
123 HG23 THR 23 HG23 THR 23 -7.107 0.439 0.351
124 H SER 24 H SER 24 -8.713 -3.046 3.540
125 HA SER 24 HA SER 24 -9.598 -4.697 1.223
126 HB2 SER 24 HB2 SER 24 -9.769 -5.389 4.168
127 HB3 SER 24 HB3 SER 24 -10.086 -6.435 2.777
128 HG SER 24 HG SER 24 -8.089 -6.940 3.316
129 H ALA 25 H ALA 25 -10.445 -1.947 2.011
130 HA ALA 25 HA ALA 25 -13.323 -2.285 1.970
131 HB1 ALA 25 HB1 ALA 25 -12.780 -2.151 4.430
132 HB2 ALA 25 HB2 ALA 25 -11.938 -0.615 4.129
133 HB3 ALA 25 HB3 ALA 25 -13.686 -0.742 3.864
134 H ARG 26 H ARG 26 -14.025 0.308 2.062
135 HA ARG 26 HA ARG 26 -12.630 1.489 -0.289
136 HB2 ARG 26 HB2 ARG 26 -15.347 1.855 1.032
137 HB3 ARG 26 HB3 ARG 26 -14.663 3.129 0.028
138 HG2 ARG 26 HG2 ARG 26 -16.054 1.870 -1.395
139 HG3 ARG 26 HG3 ARG 26 -14.383 1.521 -1.839
140 HD2 ARG 26 HD2 ARG 26 -14.533 -0.656 -0.672
141 HD3 ARG 26 HD3 ARG 26 -16.218 -0.285 -0.222
142 HE ARG 26 HE ARG 26 -15.954 0.049 -3.005
143 HH11 ARG 26 HH11 ARG 26 -15.822 -2.597 -0.664
144 HH12 ARG 26 HH12 ARG 26 -16.222 -3.850 -1.785
145 HH21 ARG 26 HH21 ARG 26 -16.727 -1.562 -4.476
146 HH22 ARG 26 HH22 ARG 26 -16.767 -3.239 -4.008
Start of MODEL 17
1 H1 GLY 1 H GLY 1 10.884 -0.793 9.073
2 HA2 GLY 1 HA2 GLY 1 10.940 -3.161 10.843
3 HA3 GLY 1 HA3 GLY 1 10.574 -1.507 11.411
4 H SER 2 H SER 2 8.985 -4.080 11.332
5 HA SER 2 HA SER 2 7.110 -4.847 9.909
6 HB2 SER 2 HB2 SER 2 6.486 -3.576 12.594
7 HB3 SER 2 HB3 SER 2 5.563 -4.873 11.794
8 HG SER 2 HG SER 2 6.973 -5.932 13.090
9 H GLY 3 H GLY 3 6.639 -3.709 8.060
10 HA2 GLY 3 HA2 GLY 3 4.285 -2.157 8.040
11 HA3 GLY 3 HA3 GLY 3 5.714 -1.111 7.826
12 H CYS 4 H CYS 4 4.459 -0.950 5.695
13 HA CYS 4 HA CYS 4 4.841 -3.154 3.778
14 HB2 CYS 4 HB2 CYS 4 2.829 -1.580 4.150
15 HB3 CYS 4 HB3 CYS 4 3.769 -0.383 3.264
16 H ASP 5 H ASP 5 5.768 -2.695 1.635
17 HA ASP 5 HA ASP 5 7.739 -0.554 1.360
18 HB2 ASP 5 HB2 ASP 5 8.906 -2.495 2.486
19 HB3 ASP 5 HB3 ASP 5 8.437 -3.495 1.087
20 H ASP 6 H ASP 6 8.731 -1.153 -1.008
21 HA ASP 6 HA ASP 6 6.357 -1.254 -2.672
22 HB2 ASP 6 HB2 ASP 6 8.252 0.300 -3.201
23 HB3 ASP 6 HB3 ASP 6 9.094 -1.121 -3.867
24 H LYS 7 H LYS 7 8.298 -3.688 -1.458
25 HA LYS 7 HA LYS 7 8.199 -5.653 -3.503
26 HB2 LYS 7 HB2 LYS 7 7.601 -6.089 -0.542
27 HB3 LYS 7 HB3 LYS 7 8.147 -7.325 -1.679
28 HG2 LYS 7 HG2 LYS 7 10.358 -6.311 -1.810
29 HG3 LYS 7 HG3 LYS 7 9.787 -4.931 -0.871
30 HD2 LYS 7 HD2 LYS 7 11.016 -6.256 0.663
31 HD3 LYS 7 HD3 LYS 7 9.328 -6.404 1.072
32 HE2 LYS 7 HE2 LYS 7 10.282 -8.574 1.275
33 HE3 LYS 7 HE3 LYS 7 9.277 -8.623 -0.181
34 HZ1 LYS 7 HZ1 LYS 7 12.214 -8.234 -0.143
35 HZ2 LYS 7 HZ2 LYS 7 11.297 -8.434 -1.498
36 HZ3 LYS 7 HZ3 LYS 7 11.464 -9.650 -0.430
37 H CYS 8 H CYS 8 5.706 -4.119 -1.654
38 HA CYS 8 HA CYS 8 3.605 -6.079 -2.238
39 HB2 CYS 8 HB2 CYS 8 3.993 -5.407 0.040
40 HB3 CYS 8 HB3 CYS 8 3.934 -3.697 -0.419
41 H GLY 9 H GLY 9 4.824 -3.338 -4.010
42 HA2 GLY 9 HA2 GLY 9 3.821 -2.181 -5.666
43 HA3 GLY 9 HA3 GLY 9 2.296 -3.050 -5.400
44 H CYS 10 H CYS 10 4.519 -0.884 -3.744
45 HA CYS 10 HA CYS 10 2.483 1.077 -3.048
46 HB2 CYS 10 HB2 CYS 10 3.856 -0.430 -0.781
47 HB3 CYS 10 HB3 CYS 10 2.703 0.917 -0.671
48 H ALA 11 H ALA 11 3.528 3.019 -2.973
49 HA ALA 11 HA ALA 11 6.368 3.203 -3.045
50 HB1 ALA 11 HB1 ALA 11 6.081 5.591 -3.056
51 HB2 ALA 11 HB2 ALA 11 4.801 4.882 -4.052
52 HB3 ALA 11 HB3 ALA 11 4.441 5.466 -2.388
53 H VAL 12 H VAL 12 7.425 4.967 -1.328
54 HA VAL 12 HA VAL 12 6.826 3.980 1.404
55 HB VAL 12 HB VAL 12 9.448 4.351 -0.035
56 HG11 VAL 12 HG11 VAL 12 8.955 3.801 2.926
57 HG12 VAL 12 HG12 VAL 12 10.532 3.664 2.074
58 HG13 VAL 12 HG13 VAL 12 9.752 5.227 2.216
59 HG21 VAL 12 HG21 VAL 12 8.343 2.191 -0.471
60 HG22 VAL 12 HG22 VAL 12 9.755 1.963 0.552
61 HG23 VAL 12 HG23 VAL 12 8.122 1.931 1.279
62 HA PRO 13 HA PRO 13 6.000 4.748 3.232
63 HB2 PRO 13 HB2 PRO 13 3.958 6.360 4.175
64 HB3 PRO 13 HB3 PRO 13 5.659 6.442 4.797
65 HG2 PRO 13 HG2 PRO 13 4.354 8.191 2.691
66 HG3 PRO 13 HG3 PRO 13 5.294 8.721 4.138
67 HD2 PRO 13 HD2 PRO 13 6.431 8.530 1.667
68 HD3 PRO 13 HD3 PRO 13 7.358 8.093 3.143
69 H CYS 14 H CYS 14 3.833 3.718 2.939
70 HA CYS 14 HA CYS 14 3.042 3.701 0.204
71 HB2 CYS 14 HB2 CYS 14 2.835 1.720 1.445
72 HB3 CYS 14 HB3 CYS 14 1.815 2.479 2.614
73 HA PRO 15 HA PRO 15 0.408 7.387 0.379
74 HB2 PRO 15 HB2 PRO 15 -0.840 6.833 -2.164
75 HB3 PRO 15 HB3 PRO 15 0.596 7.870 -1.832
76 HG2 PRO 15 HG2 PRO 15 0.501 4.974 -2.676
77 HG3 PRO 15 HG3 PRO 15 1.609 6.272 -3.232
78 HD2 PRO 15 HD2 PRO 15 2.375 4.435 -1.480
79 HD3 PRO 15 HD3 PRO 15 2.813 6.140 -1.208
80 H GLY 16 H GLY 16 -0.922 4.359 -0.912
81 HA2 GLY 16 HA2 GLY 16 -2.598 2.992 0.138
82 HA3 GLY 16 HA3 GLY 16 -3.071 4.357 1.144
83 H GLY 17 H GLY 17 -3.216 6.248 -1.142
84 HA2 GLY 17 HA2 GLY 17 -5.920 5.829 -1.993
85 HA3 GLY 17 HA3 GLY 17 -4.831 7.149 -2.409
86 H THR 18 H THR 18 -5.407 7.222 -4.515
87 HA THR 18 HA THR 18 -5.688 5.176 -6.382
88 HB THR 18 HB THR 18 -4.622 7.965 -6.743
89 HG1 THR 18 HG1 THR 18 -7.175 7.010 -6.058
90 HG21 THR 18 HG21 THR 18 -4.732 6.618 -8.846
91 HG22 THR 18 HG22 THR 18 -5.863 7.979 -8.878
92 HG23 THR 18 HG23 THR 18 -6.467 6.348 -8.548
93 H GLY 19 H GLY 19 -4.151 3.683 -6.502
94 HA2 GLY 19 HA2 GLY 19 -1.948 3.528 -7.933
95 HA3 GLY 19 HA3 GLY 19 -1.276 4.455 -6.571
96 H CYS 20 H CYS 20 -3.134 3.001 -4.658
97 HA CYS 20 HA CYS 20 -1.154 0.826 -4.253
98 HB2 CYS 20 HB2 CYS 20 -1.650 2.536 -2.544
99 HB3 CYS 20 HB3 CYS 20 -3.297 1.954 -2.466
100 H ARG 21 H ARG 21 -1.884 -1.088 -3.132
101 HA ARG 21 HA ARG 21 -4.357 -2.428 -4.069
102 HB2 ARG 21 HB2 ARG 21 -1.482 -3.432 -4.322
103 HB3 ARG 21 HB3 ARG 21 -2.899 -4.445 -4.559
104 HG2 ARG 21 HG2 ARG 21 -2.254 -2.032 -6.267
105 HG3 ARG 21 HG3 ARG 21 -1.862 -3.709 -6.673
106 HD2 ARG 21 HD2 ARG 21 -4.270 -4.322 -6.478
107 HD3 ARG 21 HD3 ARG 21 -4.668 -2.631 -6.177
108 HE ARG 21 HE ARG 21 -4.318 -3.904 -8.658
109 HH11 ARG 21 HH11 ARG 21 -3.763 -0.757 -7.094
110 HH12 ARG 21 HH12 ARG 21 -3.846 0.127 -8.572
111 HH21 ARG 21 HH21 ARG 21 -4.446 -2.714 -10.619
112 HH22 ARG 21 HH22 ARG 21 -4.349 -0.987 -10.606
113 H CYS 22 H CYS 22 -3.626 -1.311 -1.366
114 HA CYS 22 HA CYS 22 -4.100 -3.745 0.098
115 HB2 CYS 22 HB2 CYS 22 -2.397 -3.788 1.577
116 HB3 CYS 22 HB3 CYS 22 -1.795 -3.747 -0.047
117 H THR 23 H THR 23 -5.514 -1.075 -0.322
118 HA THR 23 HA THR 23 -5.691 -0.049 2.397
119 HB THR 23 HB THR 23 -5.986 1.283 0.303
120 HG1 THR 23 HG1 THR 23 -7.298 2.591 1.247
121 HG21 THR 23 HG21 THR 23 -8.818 0.256 0.077
122 HG22 THR 23 HG22 THR 23 -7.501 -0.466 -0.863
123 HG23 THR 23 HG23 THR 23 -7.864 1.242 -1.059
124 H SER 24 H SER 24 -8.140 -0.155 3.380
125 HA SER 24 HA SER 24 -9.157 -2.946 3.029
126 HB2 SER 24 HB2 SER 24 -9.481 -2.985 5.489
127 HB3 SER 24 HB3 SER 24 -7.793 -2.922 4.972
128 HG SER 24 HG SER 24 -9.366 -1.030 6.264
129 H ALA 25 H ALA 25 -10.049 -0.025 2.216
130 HA ALA 25 HA ALA 25 -12.458 0.494 3.596
131 HB1 ALA 25 HB1 ALA 25 -13.093 1.739 1.523
132 HB2 ALA 25 HB2 ALA 25 -11.473 2.135 2.088
133 HB3 ALA 25 HB3 ALA 25 -11.685 1.049 0.688
134 H ARG 26 H ARG 26 -14.613 0.114 2.970
135 HA ARG 26 HA ARG 26 -15.243 -2.114 1.167
136 HB2 ARG 26 HB2 ARG 26 -14.981 -3.049 3.467
137 HB3 ARG 26 HB3 ARG 26 -16.222 -1.963 4.061
138 HG2 ARG 26 HG2 ARG 26 -16.623 -4.036 1.851
139 HG3 ARG 26 HG3 ARG 26 -16.943 -4.329 3.560
140 HD2 ARG 26 HD2 ARG 26 -18.661 -2.560 3.572
141 HD3 ARG 26 HD3 ARG 26 -18.377 -2.260 1.858
142 HE ARG 26 HE ARG 26 -19.087 -4.981 2.742
143 HH11 ARG 26 HH11 ARG 26 -19.958 -2.193 0.742
144 HH12 ARG 26 HH12 ARG 26 -21.480 -2.808 0.255
145 HH21 ARG 26 HH21 ARG 26 -21.040 -5.910 1.940
146 HH22 ARG 26 HH22 ARG 26 -22.070 -4.992 0.876
Start of MODEL 18
1 H1 GLY 1 H GLY 1 0.152 -5.936 10.919
2 HA2 GLY 1 HA2 GLY 1 1.120 -3.973 12.070
3 HA3 GLY 1 HA3 GLY 1 2.207 -4.672 10.856
4 H SER 2 H SER 2 3.305 -2.811 10.295
5 HA SER 2 HA SER 2 1.819 -0.836 8.645
6 HB2 SER 2 HB2 SER 2 3.713 -0.012 10.864
7 HB3 SER 2 HB3 SER 2 2.833 1.061 9.769
8 HG SER 2 HG SER 2 1.064 0.822 10.881
9 H GLY 3 H GLY 3 4.677 -2.726 9.217
10 HA2 GLY 3 HA2 GLY 3 6.559 -1.100 7.806
11 HA3 GLY 3 HA3 GLY 3 6.759 -2.742 8.395
12 H CYS 4 H CYS 4 4.960 -0.976 5.862
13 HA CYS 4 HA CYS 4 4.908 -3.331 4.003
14 HB2 CYS 4 HB2 CYS 4 3.248 -1.288 4.205
15 HB3 CYS 4 HB3 CYS 4 4.502 -0.484 3.226
16 H ASP 5 H ASP 5 5.717 -3.047 1.833
17 HA ASP 5 HA ASP 5 8.312 -1.706 1.547
18 HB2 ASP 5 HB2 ASP 5 8.977 -3.875 0.425
19 HB3 ASP 5 HB3 ASP 5 8.724 -4.003 2.161
20 H ASP 6 H ASP 6 8.895 -1.916 -0.769
21 HA ASP 6 HA ASP 6 6.885 -0.799 -2.543
22 HB2 ASP 6 HB2 ASP 6 8.768 -0.622 -4.082
23 HB3 ASP 6 HB3 ASP 6 9.266 -0.025 -2.496
24 H LYS 7 H LYS 7 8.403 -3.896 -1.811
25 HA LYS 7 HA LYS 7 7.811 -5.357 -4.157
26 HB2 LYS 7 HB2 LYS 7 7.807 -6.289 -1.265
27 HB3 LYS 7 HB3 LYS 7 7.784 -7.370 -2.634
28 HG2 LYS 7 HG2 LYS 7 10.053 -5.388 -2.181
29 HG3 LYS 7 HG3 LYS 7 10.026 -7.007 -1.476
30 HD2 LYS 7 HD2 LYS 7 9.915 -8.052 -3.693
31 HD3 LYS 7 HD3 LYS 7 9.815 -6.460 -4.457
32 HE2 LYS 7 HE2 LYS 7 12.041 -7.011 -4.726
33 HE3 LYS 7 HE3 LYS 7 12.048 -5.904 -3.361
34 HZ1 LYS 7 HZ1 LYS 7 13.486 -7.757 -2.983
35 HZ2 LYS 7 HZ2 LYS 7 12.330 -8.863 -3.223
36 HZ3 LYS 7 HZ3 LYS 7 12.312 -7.867 -1.896
37 H CYS 8 H CYS 8 5.633 -4.232 -1.472
38 HA CYS 8 HA CYS 8 3.472 -5.974 -2.321
39 HB2 CYS 8 HB2 CYS 8 3.758 -5.416 -0.082
40 HB3 CYS 8 HB3 CYS 8 3.979 -3.696 -0.423
41 H GLY 9 H GLY 9 4.768 -3.144 -3.867
42 HA2 GLY 9 HA2 GLY 9 3.839 -1.971 -5.598
43 HA3 GLY 9 HA3 GLY 9 2.270 -2.773 -5.339
44 H CYS 10 H CYS 10 4.566 -0.689 -3.610
45 HA CYS 10 HA CYS 10 2.475 1.287 -2.958
46 HB2 CYS 10 HB2 CYS 10 4.127 -0.087 -0.770
47 HB3 CYS 10 HB3 CYS 10 3.188 1.392 -0.572
48 H ALA 11 H ALA 11 3.354 3.370 -2.842
49 HA ALA 11 HA ALA 11 6.118 3.716 -3.479
50 HB1 ALA 11 HB1 ALA 11 4.118 5.352 -3.919
51 HB2 ALA 11 HB2 ALA 11 4.415 5.907 -2.242
52 HB3 ALA 11 HB3 ALA 11 5.670 6.034 -3.442
53 H VAL 12 H VAL 12 7.528 5.211 -1.938
54 HA VAL 12 HA VAL 12 7.336 4.085 0.820
55 HB VAL 12 HB VAL 12 9.803 4.631 -0.864
56 HG11 VAL 12 HG11 VAL 12 10.272 5.097 1.503
57 HG12 VAL 12 HG12 VAL 12 9.530 3.555 1.975
58 HG13 VAL 12 HG13 VAL 12 11.027 3.578 1.027
59 HG21 VAL 12 HG21 VAL 12 8.458 2.055 0.065
60 HG22 VAL 12 HG22 VAL 12 8.715 2.587 -1.613
61 HG23 VAL 12 HG23 VAL 12 10.091 2.128 -0.605
62 HA PRO 13 HA PRO 13 6.617 4.720 2.632
63 HB2 PRO 13 HB2 PRO 13 4.961 6.259 4.125
64 HB3 PRO 13 HB3 PRO 13 6.726 6.196 4.400
65 HG2 PRO 13 HG2 PRO 13 5.129 8.248 2.885
66 HG3 PRO 13 HG3 PRO 13 6.419 8.532 4.099
67 HD2 PRO 13 HD2 PRO 13 6.850 8.594 1.367
68 HD3 PRO 13 HD3 PRO 13 8.104 8.101 2.545
69 H CYS 14 H CYS 14 4.179 4.215 3.011
70 HA CYS 14 HA CYS 14 2.883 3.759 0.565
71 HB2 CYS 14 HB2 CYS 14 2.466 2.777 2.917
72 HB3 CYS 14 HB3 CYS 14 1.382 4.095 3.184
73 HA PRO 15 HA PRO 15 1.296 7.968 0.057
74 HB2 PRO 15 HB2 PRO 15 -0.134 7.623 -2.276
75 HB3 PRO 15 HB3 PRO 15 1.647 7.797 -2.218
76 HG2 PRO 15 HG2 PRO 15 -0.006 5.296 -2.533
77 HG3 PRO 15 HG3 PRO 15 1.544 5.721 -3.318
78 HD2 PRO 15 HD2 PRO 15 1.304 4.057 -1.101
79 HD3 PRO 15 HD3 PRO 15 2.770 4.992 -1.457
80 H GLY 16 H GLY 16 -0.710 5.095 -0.423
81 HA2 GLY 16 HA2 GLY 16 -2.529 4.495 1.027
82 HA3 GLY 16 HA3 GLY 16 -2.886 6.213 1.278
83 H GLY 17 H GLY 17 -2.998 7.323 -1.219
84 HA2 GLY 17 HA2 GLY 17 -5.348 6.121 -2.435
85 HA3 GLY 17 HA3 GLY 17 -4.540 7.651 -2.839
86 H THR 18 H THR 18 -4.573 7.324 -5.006
87 HA THR 18 HA THR 18 -4.042 5.240 -6.578
88 HB THR 18 HB THR 18 -3.345 6.761 -8.313
89 HG1 THR 18 HG1 THR 18 -2.009 8.085 -6.967
90 HG21 THR 18 HG21 THR 18 -5.211 8.301 -8.347
91 HG22 THR 18 HG22 THR 18 -5.468 8.119 -6.603
92 HG23 THR 18 HG23 THR 18 -5.748 6.751 -7.704
93 H GLY 19 H GLY 19 -2.614 3.733 -6.154
94 HA2 GLY 19 HA2 GLY 19 -0.252 3.163 -6.886
95 HA3 GLY 19 HA3 GLY 19 0.286 4.449 -5.802
96 H CYS 20 H CYS 20 -2.435 2.991 -4.326
97 HA CYS 20 HA CYS 20 -0.555 1.210 -2.818
98 HB2 CYS 20 HB2 CYS 20 -1.596 3.089 -1.533
99 HB3 CYS 20 HB3 CYS 20 -3.158 2.274 -1.789
100 H ARG 21 H ARG 21 -0.698 -0.701 -3.969
101 HA ARG 21 HA ARG 21 -3.323 -2.013 -4.305
102 HB2 ARG 21 HB2 ARG 21 -0.470 -3.019 -4.685
103 HB3 ARG 21 HB3 ARG 21 -1.918 -3.938 -5.088
104 HG2 ARG 21 HG2 ARG 21 -1.251 -1.241 -6.337
105 HG3 ARG 21 HG3 ARG 21 -0.757 -2.780 -7.023
106 HD2 ARG 21 HD2 ARG 21 -3.654 -1.969 -6.532
107 HD3 ARG 21 HD3 ARG 21 -2.821 -1.823 -8.070
108 HE ARG 21 HE ARG 21 -3.876 -4.251 -6.834
109 HH11 ARG 21 HH11 ARG 21 -1.739 -3.011 -9.409
110 HH12 ARG 21 HH12 ARG 21 -1.767 -4.479 -10.307
111 HH21 ARG 21 HH21 ARG 21 -3.920 -6.161 -8.019
112 HH22 ARG 21 HH22 ARG 21 -3.155 -6.254 -9.577
113 H CYS 22 H CYS 22 -3.009 -1.262 -1.617
114 HA CYS 22 HA CYS 22 -3.224 -3.747 -0.264
115 HB2 CYS 22 HB2 CYS 22 -1.706 -3.666 1.338
116 HB3 CYS 22 HB3 CYS 22 -0.853 -3.293 -0.132
117 H THR 23 H THR 23 -5.186 -2.124 -0.954
118 HA THR 23 HA THR 23 -5.791 -0.350 1.320
119 HB THR 23 HB THR 23 -6.191 0.564 -0.858
120 HG1 THR 23 HG1 THR 23 -7.708 0.914 0.822
121 HG21 THR 23 HG21 THR 23 -6.423 -1.309 -2.325
122 HG22 THR 23 HG22 THR 23 -7.899 -0.355 -2.420
123 HG23 THR 23 HG23 THR 23 -7.893 -1.868 -1.487
124 H SER 24 H SER 24 -8.522 -0.839 1.623
125 HA SER 24 HA SER 24 -9.183 -3.593 1.988
126 HB2 SER 24 HB2 SER 24 -8.507 -1.877 4.431
127 HB3 SER 24 HB3 SER 24 -9.439 -3.387 4.501
128 HG SER 24 HG SER 24 -7.035 -3.420 3.087
129 H ALA 25 H ALA 25 -11.432 -3.351 3.488
130 HA ALA 25 HA ALA 25 -12.834 -0.894 2.658
131 HB1 ALA 25 HB1 ALA 25 -13.808 -3.739 2.075
132 HB2 ALA 25 HB2 ALA 25 -14.661 -2.229 1.692
133 HB3 ALA 25 HB3 ALA 25 -13.152 -2.634 0.854
134 H ARG 26 H ARG 26 -14.844 -0.706 3.758
135 HA ARG 26 HA ARG 26 -16.037 -0.503 5.659
136 HB2 ARG 26 HB2 ARG 26 -15.823 -3.517 5.870
137 HB3 ARG 26 HB3 ARG 26 -17.106 -2.445 6.464
138 HG2 ARG 26 HG2 ARG 26 -17.504 -1.774 4.023
139 HG3 ARG 26 HG3 ARG 26 -16.400 -3.081 3.567
140 HD2 ARG 26 HD2 ARG 26 -18.569 -3.992 3.356
141 HD3 ARG 26 HD3 ARG 26 -17.877 -4.681 4.825
142 HE ARG 26 HE ARG 26 -19.429 -3.597 6.107
143 HH11 ARG 26 HH11 ARG 26 -19.506 -2.024 2.859
144 HH12 ARG 26 HH12 ARG 26 -20.946 -1.138 3.244
145 HH21 ARG 26 HH21 ARG 26 -21.495 -2.689 6.399
146 HH22 ARG 26 HH22 ARG 26 -22.212 -1.718 5.168
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.612 1.424 10.732
2 HA2 GLY 1 HA2 GLY 1 1.023 -0.452 12.242
3 HA3 GLY 1 HA3 GLY 1 -0.635 -0.273 11.651
4 H SER 2 H SER 2 -1.021 -2.040 10.466
5 HA SER 2 HA SER 2 0.030 -3.990 9.356
6 HB2 SER 2 HB2 SER 2 -1.728 -2.146 7.759
7 HB3 SER 2 HB3 SER 2 -1.493 -3.856 7.395
8 HG SER 2 HG SER 2 -3.334 -3.182 8.720
9 H GLY 3 H GLY 3 1.937 -4.413 8.777
10 HA2 GLY 3 HA2 GLY 3 3.929 -3.007 7.599
11 HA3 GLY 3 HA3 GLY 3 3.728 -4.755 7.449
12 H CYS 4 H CYS 4 4.794 -2.635 5.567
13 HA CYS 4 HA CYS 4 3.488 -3.708 3.224
14 HB2 CYS 4 HB2 CYS 4 2.348 -1.394 4.026
15 HB3 CYS 4 HB3 CYS 4 3.790 -0.717 3.210
16 H ASP 5 H ASP 5 4.684 -3.192 1.218
17 HA ASP 5 HA ASP 5 7.381 -2.157 1.501
18 HB2 ASP 5 HB2 ASP 5 7.058 -4.789 1.938
19 HB3 ASP 5 HB3 ASP 5 6.856 -4.842 0.189
20 H ASP 6 H ASP 6 8.250 -2.265 -0.779
21 HA ASP 6 HA ASP 6 6.548 -0.926 -2.653
22 HB2 ASP 6 HB2 ASP 6 8.970 -0.516 -2.603
23 HB3 ASP 6 HB3 ASP 6 9.282 -2.224 -2.986
24 H LYS 7 H LYS 7 7.688 -4.160 -2.220
25 HA LYS 7 HA LYS 7 7.123 -5.537 -4.551
26 HB2 LYS 7 HB2 LYS 7 6.364 -6.476 -1.736
27 HB3 LYS 7 HB3 LYS 7 6.447 -7.513 -3.164
28 HG2 LYS 7 HG2 LYS 7 8.844 -7.016 -3.405
29 HG3 LYS 7 HG3 LYS 7 8.809 -6.029 -1.941
30 HD2 LYS 7 HD2 LYS 7 7.982 -8.958 -1.951
31 HD3 LYS 7 HD3 LYS 7 9.660 -8.459 -1.773
32 HE2 LYS 7 HE2 LYS 7 9.151 -7.218 0.270
33 HE3 LYS 7 HE3 LYS 7 7.439 -7.660 0.134
34 HZ1 LYS 7 HZ1 LYS 7 8.090 -9.981 0.350
35 HZ2 LYS 7 HZ2 LYS 7 8.625 -9.146 1.656
36 HZ3 LYS 7 HZ3 LYS 7 9.668 -9.590 0.467
37 H CYS 8 H CYS 8 4.818 -4.595 -2.115
38 HA CYS 8 HA CYS 8 2.445 -5.724 -3.193
39 HB2 CYS 8 HB2 CYS 8 3.007 -5.250 -0.852
40 HB3 CYS 8 HB3 CYS 8 3.060 -3.514 -1.206
41 H GLY 9 H GLY 9 4.078 -3.095 -4.695
42 HA2 GLY 9 HA2 GLY 9 3.264 -1.581 -6.194
43 HA3 GLY 9 HA3 GLY 9 1.639 -2.311 -6.043
44 H CYS 10 H CYS 10 3.983 -0.776 -3.825
45 HA CYS 10 HA CYS 10 2.055 1.303 -3.118
46 HB2 CYS 10 HB2 CYS 10 3.291 -0.312 -0.815
47 HB3 CYS 10 HB3 CYS 10 2.198 1.061 -0.774
48 H ALA 11 H ALA 11 3.110 3.148 -3.046
49 HA ALA 11 HA ALA 11 5.956 3.241 -3.359
50 HB1 ALA 11 HB1 ALA 11 4.281 4.941 -4.206
51 HB2 ALA 11 HB2 ALA 11 4.227 5.590 -2.535
52 HB3 ALA 11 HB3 ALA 11 5.748 5.579 -3.431
53 H VAL 12 H VAL 12 7.069 4.988 -1.637
54 HA VAL 12 HA VAL 12 6.435 3.965 1.076
55 HB VAL 12 HB VAL 12 9.191 4.675 0.064
56 HG11 VAL 12 HG11 VAL 12 8.880 5.117 2.446
57 HG12 VAL 12 HG12 VAL 12 8.043 3.566 2.664
58 HG13 VAL 12 HG13 VAL 12 9.765 3.605 2.303
59 HG21 VAL 12 HG21 VAL 12 7.840 1.959 0.489
60 HG22 VAL 12 HG22 VAL 12 8.560 2.596 -0.995
61 HG23 VAL 12 HG23 VAL 12 9.599 2.196 0.352
62 HA PRO 13 HA PRO 13 5.510 4.670 2.805
63 HB2 PRO 13 HB2 PRO 13 3.495 6.071 3.883
64 HB3 PRO 13 HB3 PRO 13 5.186 6.380 4.369
65 HG2 PRO 13 HG2 PRO 13 3.533 7.907 2.325
66 HG3 PRO 13 HG3 PRO 13 4.477 8.562 3.707
67 HD2 PRO 13 HD2 PRO 13 5.494 8.411 1.150
68 HD3 PRO 13 HD3 PRO 13 6.523 8.209 2.600
69 H CYS 14 H CYS 14 3.076 3.828 2.786
70 HA CYS 14 HA CYS 14 2.383 3.283 0.095
71 HB2 CYS 14 HB2 CYS 14 1.735 1.807 1.988
72 HB3 CYS 14 HB3 CYS 14 0.674 3.054 2.603
73 HA PRO 15 HA PRO 15 0.318 7.209 -0.601
74 HB2 PRO 15 HB2 PRO 15 -0.798 6.760 -3.089
75 HB3 PRO 15 HB3 PRO 15 0.908 7.206 -2.802
76 HG2 PRO 15 HG2 PRO 15 -0.263 4.474 -3.313
77 HG3 PRO 15 HG3 PRO 15 1.250 5.177 -3.956
78 HD2 PRO 15 HD2 PRO 15 1.220 3.446 -1.825
79 HD3 PRO 15 HD3 PRO 15 2.401 4.781 -1.938
80 H GLY 16 H GLY 16 -1.274 4.130 -1.128
81 HA2 GLY 16 HA2 GLY 16 -3.153 3.261 -0.010
82 HA3 GLY 16 HA3 GLY 16 -3.531 4.868 0.574
83 H GLY 17 H GLY 17 -3.822 6.382 -1.723
84 HA2 GLY 17 HA2 GLY 17 -6.356 5.411 -2.742
85 HA3 GLY 17 HA3 GLY 17 -5.583 6.986 -3.027
86 H THR 18 H THR 18 -5.957 7.018 -5.180
87 HA THR 18 HA THR 18 -5.651 5.037 -7.068
88 HB THR 18 HB THR 18 -5.336 7.156 -8.564
89 HG1 THR 18 HG1 THR 18 -6.038 9.043 -7.502
90 HG21 THR 18 HG21 THR 18 -7.782 6.854 -6.755
91 HG22 THR 18 HG22 THR 18 -7.472 5.945 -8.240
92 HG23 THR 18 HG23 THR 18 -7.743 7.680 -8.325
93 H GLY 19 H GLY 19 -3.964 3.830 -7.164
94 HA2 GLY 19 HA2 GLY 19 -1.743 3.768 -8.394
95 HA3 GLY 19 HA3 GLY 19 -1.173 4.943 -7.206
96 H CYS 20 H CYS 20 -3.279 2.994 -5.520
97 HA CYS 20 HA CYS 20 -1.132 1.100 -4.648
98 HB2 CYS 20 HB2 CYS 20 -1.784 2.867 -2.981
99 HB3 CYS 20 HB3 CYS 20 -3.459 2.333 -3.153
100 H ARG 21 H ARG 21 -1.832 -0.980 -4.037
101 HA ARG 21 HA ARG 21 -4.532 -1.890 -4.983
102 HB2 ARG 21 HB2 ARG 21 -1.757 -3.093 -5.377
103 HB3 ARG 21 HB3 ARG 21 -3.229 -4.006 -5.666
104 HG2 ARG 21 HG2 ARG 21 -2.914 -1.359 -7.086
105 HG3 ARG 21 HG3 ARG 21 -1.968 -2.748 -7.627
106 HD2 ARG 21 HD2 ARG 21 -3.833 -4.006 -8.242
107 HD3 ARG 21 HD3 ARG 21 -4.911 -3.127 -7.153
108 HE ARG 21 HE ARG 21 -5.535 -1.889 -8.839
109 HH11 ARG 21 HH11 ARG 21 -1.989 -2.369 -9.571
110 HH12 ARG 21 HH12 ARG 21 -2.236 -1.767 -11.184
111 HH21 ARG 21 HH21 ARG 21 -5.651 -1.226 -11.023
112 HH22 ARG 21 HH22 ARG 21 -4.217 -0.971 -11.957
113 H CYS 22 H CYS 22 -4.176 -1.164 -2.195
114 HA CYS 22 HA CYS 22 -4.587 -3.714 -1.026
115 HB2 CYS 22 HB2 CYS 22 -3.016 -3.879 0.550
116 HB3 CYS 22 HB3 CYS 22 -2.228 -3.573 -0.982
117 H THR 23 H THR 23 -6.154 -1.260 -1.426
118 HA THR 23 HA THR 23 -6.553 -0.207 1.268
119 HB THR 23 HB THR 23 -6.765 1.231 -0.646
120 HG1 THR 23 HG1 THR 23 -9.258 0.815 0.585
121 HG21 THR 23 HG21 THR 23 -7.610 -0.254 -2.402
122 HG22 THR 23 HG22 THR 23 -8.606 1.180 -2.222
123 HG23 THR 23 HG23 THR 23 -9.173 -0.375 -1.568
124 H SER 24 H SER 24 -7.069 -3.229 0.167
125 HA SER 24 HA SER 24 -9.738 -3.893 0.635
126 HB2 SER 24 HB2 SER 24 -8.306 -6.152 1.199
127 HB3 SER 24 HB3 SER 24 -8.691 -5.591 -0.428
128 HG SER 24 HG SER 24 -6.463 -6.104 -0.120
129 H ALA 25 H ALA 25 -6.910 -3.606 2.876
130 HA ALA 25 HA ALA 25 -8.778 -3.455 5.144
131 HB1 ALA 25 HB1 ALA 25 -7.445 -5.114 6.439
132 HB2 ALA 25 HB2 ALA 25 -8.295 -5.851 5.069
133 HB3 ALA 25 HB3 ALA 25 -6.550 -5.539 4.956
134 H ARG 26 H ARG 26 -7.802 -2.431 6.937
135 HA ARG 26 HA ARG 26 -6.017 -0.308 6.337
136 HB2 ARG 26 HB2 ARG 26 -6.906 -1.501 9.005
137 HB3 ARG 26 HB3 ARG 26 -6.018 0.022 8.828
138 HG2 ARG 26 HG2 ARG 26 -7.834 0.895 7.364
139 HG3 ARG 26 HG3 ARG 26 -8.733 -0.593 7.567
140 HD2 ARG 26 HD2 ARG 26 -9.673 1.158 8.937
141 HD3 ARG 26 HD3 ARG 26 -9.037 -0.156 9.940
142 HE ARG 26 HE ARG 26 -6.969 1.685 9.787
143 HH11 ARG 26 HH11 ARG 26 -10.344 1.913 10.898
144 HH12 ARG 26 HH12 ARG 26 -10.002 3.193 11.998
145 HH21 ARG 26 HH21 ARG 26 -6.513 3.237 11.309
146 HH22 ARG 26 HH22 ARG 26 -7.717 3.763 12.431
Start of MODEL 20
1 H1 GLY 1 H GLY 1 6.920 -5.845 9.688
2 HA2 GLY 1 HA2 GLY 1 7.526 -3.862 11.828
3 HA3 GLY 1 HA3 GLY 1 7.663 -3.523 10.100
4 H SER 2 H SER 2 6.161 -1.755 10.725
5 HA SER 2 HA SER 2 3.377 -2.563 10.226
6 HB2 SER 2 HB2 SER 2 4.300 -0.933 12.605
7 HB3 SER 2 HB3 SER 2 2.690 -0.766 11.879
8 HG SER 2 HG SER 2 2.188 -2.310 13.125
9 H GLY 3 H GLY 3 3.624 -1.784 8.154
10 HA2 GLY 3 HA2 GLY 3 3.130 0.928 7.682
11 HA3 GLY 3 HA3 GLY 3 4.881 0.656 7.483
12 H CYS 4 H CYS 4 5.429 0.220 5.411
13 HA CYS 4 HA CYS 4 4.012 -1.832 3.883
14 HB2 CYS 4 HB2 CYS 4 2.809 0.587 3.742
15 HB3 CYS 4 HB3 CYS 4 4.128 0.889 2.610
16 H ASP 5 H ASP 5 5.018 -2.182 1.755
17 HA ASP 5 HA ASP 5 7.749 -1.203 1.460
18 HB2 ASP 5 HB2 ASP 5 7.020 -4.129 1.122
19 HB3 ASP 5 HB3 ASP 5 8.602 -3.389 1.140
20 H ASP 6 H ASP 6 8.390 -1.660 -0.800
21 HA ASP 6 HA ASP 6 6.438 -0.898 -2.667
22 HB2 ASP 6 HB2 ASP 6 8.149 -0.998 -4.252
23 HB3 ASP 6 HB3 ASP 6 8.998 -0.617 -2.749
24 H LYS 7 H LYS 7 7.589 -4.067 -1.647
25 HA LYS 7 HA LYS 7 6.705 -5.650 -3.785
26 HB2 LYS 7 HB2 LYS 7 6.753 -6.295 -0.812
27 HB3 LYS 7 HB3 LYS 7 6.397 -7.498 -2.048
28 HG2 LYS 7 HG2 LYS 7 8.958 -5.891 -2.140
29 HG3 LYS 7 HG3 LYS 7 8.799 -7.299 -1.099
30 HD2 LYS 7 HD2 LYS 7 7.982 -7.781 -3.916
31 HD3 LYS 7 HD3 LYS 7 9.684 -7.384 -3.714
32 HE2 LYS 7 HE2 LYS 7 8.317 -9.506 -2.011
33 HE3 LYS 7 HE3 LYS 7 8.995 -9.888 -3.597
34 HZ1 LYS 7 HZ1 LYS 7 10.508 -10.257 -1.630
35 HZ2 LYS 7 HZ2 LYS 7 10.678 -8.628 -1.514
36 HZ3 LYS 7 HZ3 LYS 7 11.141 -9.415 -2.866
37 H CYS 8 H CYS 8 4.791 -4.294 -1.076
38 HA CYS 8 HA CYS 8 2.437 -5.777 -1.611
39 HB2 CYS 8 HB2 CYS 8 3.175 -4.831 0.469
40 HB3 CYS 8 HB3 CYS 8 3.011 -3.189 -0.145
41 H GLY 9 H GLY 9 3.528 -3.739 -4.037
42 HA2 GLY 9 HA2 GLY 9 2.400 -2.568 -5.669
43 HA3 GLY 9 HA3 GLY 9 0.920 -3.383 -5.116
44 H CYS 10 H CYS 10 3.242 -1.294 -3.669
45 HA CYS 10 HA CYS 10 1.354 0.914 -3.134
46 HB2 CYS 10 HB2 CYS 10 2.878 -0.607 -0.976
47 HB3 CYS 10 HB3 CYS 10 1.993 0.869 -0.725
48 H ALA 11 H ALA 11 2.544 2.830 -3.213
49 HA ALA 11 HA ALA 11 5.384 2.698 -3.796
50 HB1 ALA 11 HB1 ALA 11 3.683 4.384 -4.758
51 HB2 ALA 11 HB2 ALA 11 3.811 5.228 -3.188
52 HB3 ALA 11 HB3 ALA 11 5.228 5.024 -4.200
53 H VAL 12 H VAL 12 6.662 4.689 -2.382
54 HA VAL 12 HA VAL 12 6.240 4.003 0.477
55 HB VAL 12 HB VAL 12 8.930 4.277 -0.895
56 HG11 VAL 12 HG11 VAL 12 8.139 3.313 1.899
57 HG12 VAL 12 HG12 VAL 12 9.787 3.421 1.242
58 HG13 VAL 12 HG13 VAL 12 8.865 4.896 1.520
59 HG21 VAL 12 HG21 VAL 12 9.159 1.834 -0.513
60 HG22 VAL 12 HG22 VAL 12 7.450 1.755 -0.012
61 HG23 VAL 12 HG23 VAL 12 7.900 2.191 -1.677
62 HA PRO 13 HA PRO 13 5.350 5.087 2.067
63 HB2 PRO 13 HB2 PRO 13 3.417 6.857 2.774
64 HB3 PRO 13 HB3 PRO 13 5.099 7.011 3.380
65 HG2 PRO 13 HG2 PRO 13 3.844 8.390 0.970
66 HG3 PRO 13 HG3 PRO 13 4.707 9.152 2.337
67 HD2 PRO 13 HD2 PRO 13 6.028 8.573 0.033
68 HD3 PRO 13 HD3 PRO 13 6.815 8.287 1.613
69 H CYS 14 H CYS 14 3.194 4.222 2.030
70 HA CYS 14 HA CYS 14 2.293 3.643 -0.618
71 HB2 CYS 14 HB2 CYS 14 2.188 2.068 1.196
72 HB3 CYS 14 HB3 CYS 14 1.149 3.113 2.134
73 HA PRO 15 HA PRO 15 -0.273 7.325 -1.043
74 HB2 PRO 15 HB2 PRO 15 -1.646 6.693 -3.375
75 HB3 PRO 15 HB3 PRO 15 0.070 7.226 -3.308
76 HG2 PRO 15 HG2 PRO 15 -1.041 4.419 -3.406
77 HG3 PRO 15 HG3 PRO 15 0.251 5.122 -4.437
78 HD2 PRO 15 HD2 PRO 15 0.869 3.619 -2.289
79 HD3 PRO 15 HD3 PRO 15 1.791 5.115 -2.632
80 H GLY 16 H GLY 16 -1.470 4.312 -0.279
81 HA2 GLY 16 HA2 GLY 16 -3.303 3.438 0.624
82 HA3 GLY 16 HA3 GLY 16 -3.723 5.076 1.118
83 H GLY 17 H GLY 17 -4.289 5.958 -1.706
84 HA2 GLY 17 HA2 GLY 17 -7.038 5.045 -1.896
85 HA3 GLY 17 HA3 GLY 17 -6.221 6.273 -2.882
86 H THR 18 H THR 18 -7.148 5.402 -4.774
87 HA THR 18 HA THR 18 -7.265 2.865 -5.713
88 HB THR 18 HB THR 18 -8.239 4.845 -6.737
89 HG1 THR 18 HG1 THR 18 -7.872 4.195 -8.910
90 HG21 THR 18 HG21 THR 18 -6.347 6.424 -6.703
91 HG22 THR 18 HG22 THR 18 -7.009 6.249 -8.328
92 HG23 THR 18 HG23 THR 18 -5.492 5.432 -7.903
93 H GLY 19 H GLY 19 -4.235 4.778 -5.685
94 HA2 GLY 19 HA2 GLY 19 -2.750 2.814 -7.238
95 HA3 GLY 19 HA3 GLY 19 -2.117 4.225 -6.388
96 H CYS 20 H CYS 20 -4.112 1.865 -4.658
97 HA CYS 20 HA CYS 20 -1.714 0.745 -3.311
98 HB2 CYS 20 HB2 CYS 20 -2.855 2.534 -1.968
99 HB3 CYS 20 HB3 CYS 20 -4.370 1.600 -2.112
100 H ARG 21 H ARG 21 -1.676 -1.395 -3.922
101 HA ARG 21 HA ARG 21 -4.077 -3.049 -3.981
102 HB2 ARG 21 HB2 ARG 21 -1.085 -3.669 -4.084
103 HB3 ARG 21 HB3 ARG 21 -2.327 -4.890 -4.270
104 HG2 ARG 21 HG2 ARG 21 -2.053 -2.473 -6.114
105 HG3 ARG 21 HG3 ARG 21 -1.340 -4.050 -6.431
106 HD2 ARG 21 HD2 ARG 21 -4.324 -3.560 -6.040
107 HD3 ARG 21 HD3 ARG 21 -3.533 -3.696 -7.596
108 HE ARG 21 HE ARG 21 -4.232 -5.810 -5.742
109 HH11 ARG 21 HH11 ARG 21 -2.311 -5.018 -8.708
110 HH12 ARG 21 HH12 ARG 21 -2.013 -6.701 -9.039
111 HH21 ARG 21 HH21 ARG 21 -3.864 -8.049 -6.432
112 HH22 ARG 21 HH22 ARG 21 -2.880 -8.306 -7.850
113 H CYS 22 H CYS 22 -3.965 -1.769 -1.505
114 HA CYS 22 HA CYS 22 -4.107 -3.890 0.321
115 HB2 CYS 22 HB2 CYS 22 -2.348 -3.861 1.620
116 HB3 CYS 22 HB3 CYS 22 -1.587 -3.329 0.140
117 H THR 23 H THR 23 -6.150 -2.579 -0.216
118 HA THR 23 HA THR 23 -6.457 -0.414 1.800
119 HB THR 23 HB THR 23 -6.384 0.566 -0.380
120 HG1 THR 23 HG1 THR 23 -8.886 0.411 0.878
121 HG21 THR 23 HG21 THR 23 -8.051 0.151 -2.117
122 HG22 THR 23 HG22 THR 23 -8.707 -1.221 -1.199
123 HG23 THR 23 HG23 THR 23 -7.055 -1.274 -1.851
124 H SER 24 H SER 24 -6.786 -3.436 1.939
125 HA SER 24 HA SER 24 -9.520 -4.142 1.989
126 HB2 SER 24 HB2 SER 24 -7.322 -5.103 3.845
127 HB3 SER 24 HB3 SER 24 -8.798 -5.982 3.402
128 HG SER 24 HG SER 24 -7.043 -6.758 2.240
129 H ALA 25 H ALA 25 -11.074 -3.860 3.538
130 HA ALA 25 HA ALA 25 -12.267 -2.785 5.103
131 HB1 ALA 25 HB1 ALA 25 -9.944 -3.595 6.883
132 HB2 ALA 25 HB2 ALA 25 -11.602 -3.254 7.407
133 HB3 ALA 25 HB3 ALA 25 -11.283 -4.649 6.369
134 H ARG 26 H ARG 26 -10.210 -0.951 3.705
135 HA ARG 26 HA ARG 26 -9.308 1.016 5.542
136 HB2 ARG 26 HB2 ARG 26 -8.600 0.826 3.162
137 HB3 ARG 26 HB3 ARG 26 -10.172 1.418 2.642
138 HG2 ARG 26 HG2 ARG 26 -8.183 2.985 4.360
139 HG3 ARG 26 HG3 ARG 26 -8.296 3.065 2.606
140 HD2 ARG 26 HD2 ARG 26 -10.835 3.697 3.110
141 HD3 ARG 26 HD3 ARG 26 -10.174 4.200 4.667
142 HE ARG 26 HE ARG 26 -9.627 5.268 1.965
143 HH11 ARG 26 HH11 ARG 26 -9.091 5.717 5.464
144 HH12 ARG 26 HH12 ARG 26 -8.383 7.266 5.290
145 HH21 ARG 26 HH21 ARG 26 -8.924 7.408 1.809
146 HH22 ARG 26 HH22 ARG 26 -8.042 8.184 3.050
Start of MODEL 21
1 H1 GLY 1 H GLY 1 6.693 7.140 -8.326
2 HA2 GLY 1 HA2 GLY 1 8.664 9.130 -7.398
3 HA3 GLY 1 HA3 GLY 1 6.970 9.594 -7.717
4 H SER 2 H SER 2 6.362 10.031 -5.570
5 HA SER 2 HA SER 2 6.891 8.199 -3.397
6 HB2 SER 2 HB2 SER 2 5.050 9.731 -2.360
7 HB3 SER 2 HB3 SER 2 6.577 10.490 -2.807
8 HG SER 2 HG SER 2 4.464 11.486 -3.563
9 H GLY 3 H GLY 3 4.747 7.458 -2.162
10 HA2 GLY 3 HA2 GLY 3 2.307 6.949 -2.925
11 HA3 GLY 3 HA3 GLY 3 3.112 5.925 -4.126
12 H CYS 4 H CYS 4 4.920 4.444 -3.151
13 HA CYS 4 HA CYS 4 4.452 3.638 -0.394
14 HB2 CYS 4 HB2 CYS 4 3.688 1.967 -2.792
15 HB3 CYS 4 HB3 CYS 4 4.091 1.208 -1.259
16 H ASP 5 H ASP 5 6.204 2.989 0.562
17 HA ASP 5 HA ASP 5 8.598 2.247 -0.897
18 HB2 ASP 5 HB2 ASP 5 8.438 2.898 2.036
19 HB3 ASP 5 HB3 ASP 5 9.685 3.335 0.860
20 H ASP 6 H ASP 6 9.749 0.338 0.191
21 HA ASP 6 HA ASP 6 8.159 -1.875 0.424
22 HB2 ASP 6 HB2 ASP 6 10.406 -2.222 0.016
23 HB3 ASP 6 HB3 ASP 6 10.917 -1.240 1.383
24 H LYS 7 H LYS 7 9.190 0.026 3.294
25 HA LYS 7 HA LYS 7 7.795 -1.920 5.031
26 HB2 LYS 7 HB2 LYS 7 9.231 0.635 5.749
27 HB3 LYS 7 HB3 LYS 7 8.712 -0.627 6.873
28 HG2 LYS 7 HG2 LYS 7 10.250 -2.227 5.818
29 HG3 LYS 7 HG3 LYS 7 10.815 -0.973 4.705
30 HD2 LYS 7 HD2 LYS 7 11.079 -0.723 7.729
31 HD3 LYS 7 HD3 LYS 7 12.305 -1.458 6.682
32 HE2 LYS 7 HE2 LYS 7 12.434 0.639 5.354
33 HE3 LYS 7 HE3 LYS 7 11.304 1.416 6.470
34 HZ1 LYS 7 HZ1 LYS 7 13.938 0.301 7.274
35 HZ2 LYS 7 HZ2 LYS 7 12.954 1.178 8.226
36 HZ3 LYS 7 HZ3 LYS 7 13.659 1.873 6.924
37 H CYS 8 H CYS 8 6.360 0.150 3.162
38 HA CYS 8 HA CYS 8 4.823 1.703 5.097
39 HB2 CYS 8 HB2 CYS 8 4.224 3.002 3.394
40 HB3 CYS 8 HB3 CYS 8 5.713 2.337 2.757
41 H GLY 9 H GLY 9 4.258 -1.356 5.251
42 HA2 GLY 9 HA2 GLY 9 2.445 -2.428 5.897
43 HA3 GLY 9 HA3 GLY 9 1.432 -1.033 5.513
44 H CYS 10 H CYS 10 3.538 -1.916 2.893
45 HA CYS 10 HA CYS 10 1.346 -3.524 1.799
46 HB2 CYS 10 HB2 CYS 10 3.047 -1.770 0.031
47 HB3 CYS 10 HB3 CYS 10 1.512 -2.550 -0.315
48 H ALA 11 H ALA 11 1.859 -4.829 -0.064
49 HA ALA 11 HA ALA 11 4.267 -6.376 0.237
50 HB1 ALA 11 HB1 ALA 11 2.213 -7.408 -0.600
51 HB2 ALA 11 HB2 ALA 11 2.081 -6.198 -1.908
52 HB3 ALA 11 HB3 ALA 11 3.390 -7.382 -1.933
53 H VAL 12 H VAL 12 5.684 -6.711 -1.877
54 HA VAL 12 HA VAL 12 6.053 -4.125 -3.263
55 HB VAL 12 HB VAL 12 8.334 -5.714 -2.090
56 HG11 VAL 12 HG11 VAL 12 9.572 -3.614 -2.659
57 HG12 VAL 12 HG12 VAL 12 8.913 -4.408 -4.110
58 HG13 VAL 12 HG13 VAL 12 8.109 -2.976 -3.437
59 HG21 VAL 12 HG21 VAL 12 8.579 -3.785 -0.566
60 HG22 VAL 12 HG22 VAL 12 7.013 -3.142 -1.118
61 HG23 VAL 12 HG23 VAL 12 7.109 -4.681 -0.230
62 HA PRO 13 HA PRO 13 6.035 -3.413 -5.216
63 HB2 PRO 13 HB2 PRO 13 4.592 -3.526 -7.508
64 HB3 PRO 13 HB3 PRO 13 6.388 -3.547 -7.480
65 HG2 PRO 13 HG2 PRO 13 4.474 -5.877 -7.692
66 HG3 PRO 13 HG3 PRO 13 5.922 -5.530 -8.711
67 HD2 PRO 13 HD2 PRO 13 6.093 -7.258 -6.619
68 HD3 PRO 13 HD3 PRO 13 7.403 -6.123 -7.009
69 H CYS 14 H CYS 14 4.048 -2.352 -4.737
70 HA CYS 14 HA CYS 14 2.050 -4.007 -3.397
71 HB2 CYS 14 HB2 CYS 14 2.875 -2.031 -2.286
72 HB3 CYS 14 HB3 CYS 14 2.590 -1.080 -3.726
73 HA PRO 15 HA PRO 15 -0.509 -3.807 -7.144
74 HB2 PRO 15 HB2 PRO 15 -2.921 -4.638 -5.988
75 HB3 PRO 15 HB3 PRO 15 -1.652 -5.701 -6.666
76 HG2 PRO 15 HG2 PRO 15 -2.136 -4.820 -3.845
77 HG3 PRO 15 HG3 PRO 15 -1.724 -6.485 -4.399
78 HD2 PRO 15 HD2 PRO 15 0.129 -4.885 -3.286
79 HD3 PRO 15 HD3 PRO 15 0.563 -5.851 -4.737
80 H GLY 16 H GLY 16 -1.293 -2.186 -4.087
81 HA2 GLY 16 HA2 GLY 16 -1.970 0.060 -4.004
82 HA3 GLY 16 HA3 GLY 16 -2.548 -0.027 -5.659
83 H GLY 17 H GLY 17 -4.287 -2.368 -5.332
84 HA2 GLY 17 HA2 GLY 17 -6.557 -1.042 -4.100
85 HA3 GLY 17 HA3 GLY 17 -6.534 -2.602 -4.924
86 H THR 18 H THR 18 -7.177 -4.243 -3.690
87 HA THR 18 HA THR 18 -7.534 -4.231 -0.966
88 HB THR 18 HB THR 18 -6.982 -6.751 -2.503
89 HG1 THR 18 HG1 THR 18 -8.818 -6.535 -3.692
90 HG21 THR 18 HG21 THR 18 -7.995 -6.853 -0.216
91 HG22 THR 18 HG22 THR 18 -9.082 -7.499 -1.452
92 HG23 THR 18 HG23 THR 18 -9.361 -5.874 -0.800
93 H GLY 19 H GLY 19 -4.586 -4.791 -2.760
94 HA2 GLY 19 HA2 GLY 19 -3.185 -6.094 -0.510
95 HA3 GLY 19 HA3 GLY 19 -2.485 -5.736 -2.067
96 H CYS 20 H CYS 20 -4.237 -2.981 -0.794
97 HA CYS 20 HA CYS 20 -1.737 -1.905 0.402
98 HB2 CYS 20 HB2 CYS 20 -2.558 -0.911 -1.850
99 HB3 CYS 20 HB3 CYS 20 -3.850 -0.204 -0.888
100 H ARG 21 H ARG 21 -2.223 -0.423 2.251
101 HA ARG 21 HA ARG 21 -4.919 -0.422 3.380
102 HB2 ARG 21 HB2 ARG 21 -4.095 -1.223 5.572
103 HB3 ARG 21 HB3 ARG 21 -3.937 -2.473 4.350
104 HG2 ARG 21 HG2 ARG 21 -1.654 -2.437 4.399
105 HG3 ARG 21 HG3 ARG 21 -1.525 -0.715 4.711
106 HD2 ARG 21 HD2 ARG 21 -0.684 -1.679 6.649
107 HD3 ARG 21 HD3 ARG 21 -2.321 -1.168 7.086
108 HE ARG 21 HE ARG 21 -2.323 -3.886 6.127
109 HH11 ARG 21 HH11 ARG 21 -1.246 -2.076 9.051
110 HH12 ARG 21 HH12 ARG 21 -1.456 -3.478 10.054
111 HH21 ARG 21 HH21 ARG 21 -2.435 -5.639 7.473
112 HH22 ARG 21 HH22 ARG 21 -2.103 -5.516 9.172
113 H CYS 22 H CYS 22 -3.148 1.535 2.160
114 HA CYS 22 HA CYS 22 -2.357 3.217 4.496
115 HB2 CYS 22 HB2 CYS 22 -1.560 4.005 1.743
116 HB3 CYS 22 HB3 CYS 22 -0.755 4.298 3.260
117 H THR 23 H THR 23 -3.782 3.658 1.156
118 HA THR 23 HA THR 23 -5.041 6.141 1.903
119 HB THR 23 HB THR 23 -4.317 5.586 -0.424
120 HG1 THR 23 HG1 THR 23 -5.784 7.132 -0.418
121 HG21 THR 23 HG21 THR 23 -5.695 4.147 -1.883
122 HG22 THR 23 HG22 THR 23 -6.633 3.596 -0.493
123 HG23 THR 23 HG23 THR 23 -4.925 3.180 -0.628
124 H SER 24 H SER 24 -7.361 6.490 2.052
125 HA SER 24 HA SER 24 -8.722 4.375 3.534
126 HB2 SER 24 HB2 SER 24 -8.851 6.666 4.287
127 HB3 SER 24 HB3 SER 24 -9.494 7.202 2.737
128 HG SER 24 HG SER 24 -11.377 6.272 3.169
129 H ALA 25 H ALA 25 -8.610 5.617 0.234
130 HA ALA 25 HA ALA 25 -11.138 4.829 -0.709
131 HB1 ALA 25 HB1 ALA 25 -10.119 5.040 -2.898
132 HB2 ALA 25 HB2 ALA 25 -9.511 6.328 -1.857
133 HB3 ALA 25 HB3 ALA 25 -8.494 4.903 -2.209
134 H ARG 26 H ARG 26 -12.006 2.881 -0.809
135 HA ARG 26 HA ARG 26 -10.788 0.462 -0.220
136 HB2 ARG 26 HB2 ARG 26 -13.283 1.146 -0.175
137 HB3 ARG 26 HB3 ARG 26 -13.307 0.799 -1.901
138 HG2 ARG 26 HG2 ARG 26 -14.196 -1.061 -0.624
139 HG3 ARG 26 HG3 ARG 26 -12.697 -1.564 -1.425
140 HD2 ARG 26 HD2 ARG 26 -11.466 -1.417 0.657
141 HD3 ARG 26 HD3 ARG 26 -12.762 -0.509 1.415
142 HE ARG 26 HE ARG 26 -12.642 -3.405 0.937
143 HH11 ARG 26 HH11 ARG 26 -14.393 -0.624 2.336
144 HH12 ARG 26 HH12 ARG 26 -15.326 -1.599 3.416
145 HH21 ARG 26 HH21 ARG 26 -14.127 -4.691 2.172
146 HH22 ARG 26 HH22 ARG 26 -15.114 -3.941 3.387
Start of MODEL 22
1 H1 GLY 1 H GLY 1 1.321 9.226 -8.433
2 HA2 GLY 1 HA2 GLY 1 0.552 7.042 -9.210
3 HA3 GLY 1 HA3 GLY 1 2.189 6.426 -8.919
4 H SER 2 H SER 2 2.802 5.891 -6.776
5 HA SER 2 HA SER 2 1.310 6.677 -4.460
6 HB2 SER 2 HB2 SER 2 -0.316 5.017 -5.258
7 HB3 SER 2 HB3 SER 2 0.959 3.813 -5.449
8 HG SER 2 HG SER 2 0.060 5.035 -3.044
9 H GLY 3 H GLY 3 3.457 7.324 -3.821
10 HA2 GLY 3 HA2 GLY 3 5.747 5.595 -3.983
11 HA3 GLY 3 HA3 GLY 3 5.570 7.064 -3.002
12 H CYS 4 H CYS 4 5.476 3.640 -2.996
13 HA CYS 4 HA CYS 4 4.794 3.574 -0.099
14 HB2 CYS 4 HB2 CYS 4 4.064 1.740 -2.388
15 HB3 CYS 4 HB3 CYS 4 4.082 1.163 -0.756
16 H ASP 5 H ASP 5 6.293 2.565 1.182
17 HA ASP 5 HA ASP 5 8.480 1.093 -0.185
18 HB2 ASP 5 HB2 ASP 5 8.818 3.427 1.148
19 HB3 ASP 5 HB3 ASP 5 8.959 2.302 2.505
20 H ASP 6 H ASP 6 9.683 -0.342 1.636
21 HA ASP 6 HA ASP 6 7.759 -2.350 2.217
22 HB2 ASP 6 HB2 ASP 6 10.492 -2.303 1.953
23 HB3 ASP 6 HB3 ASP 6 10.311 -2.611 3.685
24 H LYS 7 H LYS 7 8.906 0.298 4.246
25 HA LYS 7 HA LYS 7 7.876 -0.972 6.705
26 HB2 LYS 7 HB2 LYS 7 8.568 1.950 6.271
27 HB3 LYS 7 HB3 LYS 7 8.413 1.090 7.800
28 HG2 LYS 7 HG2 LYS 7 10.416 -0.355 6.589
29 HG3 LYS 7 HG3 LYS 7 10.682 1.238 5.890
30 HD2 LYS 7 HD2 LYS 7 12.055 1.204 7.795
31 HD3 LYS 7 HD3 LYS 7 10.640 2.124 8.344
32 HE2 LYS 7 HE2 LYS 7 9.711 0.057 9.387
33 HE3 LYS 7 HE3 LYS 7 11.058 -0.882 8.726
34 HZ1 LYS 7 HZ1 LYS 7 11.464 -0.458 10.957
35 HZ2 LYS 7 HZ2 LYS 7 11.246 1.163 10.841
36 HZ3 LYS 7 HZ3 LYS 7 12.554 0.421 10.123
37 H CYS 8 H CYS 8 6.286 0.180 4.044
38 HA CYS 8 HA CYS 8 4.239 1.750 5.432
39 HB2 CYS 8 HB2 CYS 8 4.060 2.752 3.507
40 HB3 CYS 8 HB3 CYS 8 5.567 1.957 3.094
41 H GLY 9 H GLY 9 4.346 -1.646 5.007
42 HA2 GLY 9 HA2 GLY 9 2.665 -3.086 5.180
43 HA3 GLY 9 HA3 GLY 9 1.499 -1.764 5.205
44 H CYS 10 H CYS 10 4.054 -2.422 2.689
45 HA CYS 10 HA CYS 10 2.082 -3.476 0.942
46 HB2 CYS 10 HB2 CYS 10 3.734 -1.107 0.014
47 HB3 CYS 10 HB3 CYS 10 2.668 -2.181 -0.912
48 H ALA 11 H ALA 11 3.025 -4.677 -0.784
49 HA ALA 11 HA ALA 11 5.632 -5.732 -0.295
50 HB1 ALA 11 HB1 ALA 11 5.260 -7.005 -2.353
51 HB2 ALA 11 HB2 ALA 11 3.779 -6.977 -1.390
52 HB3 ALA 11 HB3 ALA 11 3.931 -5.924 -2.821
53 H VAL 12 H VAL 12 7.312 -5.808 -2.187
54 HA VAL 12 HA VAL 12 7.634 -3.169 -3.495
55 HB VAL 12 HB VAL 12 9.592 -4.773 -1.829
56 HG11 VAL 12 HG11 VAL 12 10.848 -4.151 -3.791
57 HG12 VAL 12 HG12 VAL 12 10.169 -2.514 -3.786
58 HG13 VAL 12 HG13 VAL 12 11.269 -3.036 -2.492
59 HG21 VAL 12 HG21 VAL 12 8.677 -1.860 -1.708
60 HG22 VAL 12 HG22 VAL 12 8.175 -3.148 -0.586
61 HG23 VAL 12 HG23 VAL 12 9.861 -2.629 -0.633
62 HA PRO 13 HA PRO 13 7.654 -2.520 -5.511
63 HB2 PRO 13 HB2 PRO 13 6.398 -2.708 -7.897
64 HB3 PRO 13 HB3 PRO 13 8.180 -2.779 -7.758
65 HG2 PRO 13 HG2 PRO 13 6.250 -5.110 -7.979
66 HG3 PRO 13 HG3 PRO 13 7.748 -4.809 -8.923
67 HD2 PRO 13 HD2 PRO 13 7.683 -6.433 -6.700
68 HD3 PRO 13 HD3 PRO 13 9.114 -5.451 -7.119
69 H CYS 14 H CYS 14 5.380 -1.527 -5.729
70 HA CYS 14 HA CYS 14 3.543 -3.097 -4.087
71 HB2 CYS 14 HB2 CYS 14 4.102 -0.565 -3.925
72 HB3 CYS 14 HB3 CYS 14 3.001 -0.360 -5.250
73 HA PRO 15 HA PRO 15 1.431 -4.391 -7.967
74 HB2 PRO 15 HB2 PRO 15 -0.754 -5.687 -6.841
75 HB3 PRO 15 HB3 PRO 15 0.838 -6.451 -7.024
76 HG2 PRO 15 HG2 PRO 15 -0.306 -5.079 -4.584
77 HG3 PRO 15 HG3 PRO 15 0.542 -6.646 -4.691
78 HD2 PRO 15 HD2 PRO 15 1.837 -4.394 -3.900
79 HD3 PRO 15 HD3 PRO 15 2.655 -5.561 -4.977
80 H GLY 16 H GLY 16 -0.036 -2.769 -5.189
81 HA2 GLY 16 HA2 GLY 16 -1.343 -0.883 -5.177
82 HA3 GLY 16 HA3 GLY 16 -1.553 -0.959 -6.915
83 H GLY 17 H GLY 17 -2.463 -3.891 -6.604
84 HA2 GLY 17 HA2 GLY 17 -5.269 -3.448 -6.340
85 HA3 GLY 17 HA3 GLY 17 -4.446 -4.998 -6.568
86 H THR 18 H THR 18 -5.718 -6.114 -5.023
87 HA THR 18 HA THR 18 -6.460 -5.319 -2.493
88 HB THR 18 HB THR 18 -6.418 -7.807 -1.974
89 HG1 THR 18 HG1 THR 18 -5.002 -8.759 -3.298
90 HG21 THR 18 HG21 THR 18 -8.405 -6.634 -2.936
91 HG22 THR 18 HG22 THR 18 -8.275 -8.295 -3.513
92 HG23 THR 18 HG23 THR 18 -7.795 -6.961 -4.572
93 H GLY 19 H GLY 19 -3.169 -6.280 -3.411
94 HA2 GLY 19 HA2 GLY 19 -2.243 -6.825 -0.738
95 HA3 GLY 19 HA3 GLY 19 -1.276 -6.487 -2.183
96 H CYS 20 H CYS 20 -2.900 -3.769 -2.415
97 HA CYS 20 HA CYS 20 -0.899 -2.333 -0.781
98 HB2 CYS 20 HB2 CYS 20 -1.434 -1.577 -3.101
99 HB3 CYS 20 HB3 CYS 20 -3.030 -1.077 -2.522
100 H ARG 21 H ARG 21 -1.800 -3.162 1.242
101 HA ARG 21 HA ARG 21 -4.491 -2.342 1.995
102 HB2 ARG 21 HB2 ARG 21 -4.140 -3.324 4.154
103 HB3 ARG 21 HB3 ARG 21 -3.715 -4.346 2.815
104 HG2 ARG 21 HG2 ARG 21 -2.123 -4.871 4.327
105 HG3 ARG 21 HG3 ARG 21 -1.237 -3.763 3.300
106 HD2 ARG 21 HD2 ARG 21 -2.645 -2.879 5.846
107 HD3 ARG 21 HD3 ARG 21 -1.064 -3.648 5.919
108 HE ARG 21 HE ARG 21 -0.327 -1.830 4.301
109 HH11 ARG 21 HH11 ARG 21 -2.436 -1.485 7.141
110 HH12 ARG 21 HH12 ARG 21 -2.046 0.167 7.427
111 HH21 ARG 21 HH21 ARG 21 0.486 0.351 5.064
112 HH22 ARG 21 HH22 ARG 21 -0.564 1.218 6.149
113 H CYS 22 H CYS 22 -2.759 -0.118 1.312
114 HA CYS 22 HA CYS 22 -2.616 1.576 3.751
115 HB2 CYS 22 HB2 CYS 22 -2.012 2.081 0.839
116 HB3 CYS 22 HB3 CYS 22 -1.755 3.270 2.098
117 H THR 23 H THR 23 -4.941 1.073 1.063
118 HA THR 23 HA THR 23 -5.787 3.842 1.096
119 HB THR 23 HB THR 23 -6.063 2.418 -0.851
120 HG1 THR 23 HG1 THR 23 -8.114 3.197 -1.283
121 HG21 THR 23 HG21 THR 23 -8.172 0.951 0.774
122 HG22 THR 23 HG22 THR 23 -6.675 0.270 0.077
123 HG23 THR 23 HG23 THR 23 -7.967 0.852 -0.979
124 H SER 24 H SER 24 -8.172 4.315 1.750
125 HA SER 24 HA SER 24 -8.590 3.260 4.507
126 HB2 SER 24 HB2 SER 24 -9.716 5.550 4.811
127 HB3 SER 24 HB3 SER 24 -7.954 5.424 4.833
128 HG SER 24 HG SER 24 -8.428 7.140 3.572
129 H ALA 25 H ALA 25 -10.098 1.752 4.414
130 HA ALA 25 HA ALA 25 -12.169 1.614 2.413
131 HB1 ALA 25 HB1 ALA 25 -13.067 -0.157 3.874
132 HB2 ALA 25 HB2 ALA 25 -11.321 -0.380 3.650
133 HB3 ALA 25 HB3 ALA 25 -11.950 0.306 5.173
134 H ARG 26 H ARG 26 -14.220 2.665 2.470
135 HA ARG 26 HA ARG 26 -15.219 3.762 4.954
136 HB2 ARG 26 HB2 ARG 26 -15.413 6.049 4.020
137 HB3 ARG 26 HB3 ARG 26 -13.725 5.592 4.230
138 HG2 ARG 26 HG2 ARG 26 -13.414 5.280 1.868
139 HG3 ARG 26 HG3 ARG 26 -15.159 5.316 1.543
140 HD2 ARG 26 HD2 ARG 26 -15.301 7.638 2.245
141 HD3 ARG 26 HD3 ARG 26 -13.574 7.660 2.645
142 HE ARG 26 HE ARG 26 -13.266 6.963 0.182
143 HH11 ARG 26 HH11 ARG 26 -16.047 8.990 1.123
144 HH12 ARG 26 HH12 ARG 26 -16.057 9.859 -0.356
145 HH21 ARG 26 HH21 ARG 26 -13.250 8.200 -1.748
146 HH22 ARG 26 HH22 ARG 26 -14.371 9.492 -1.948
Start of MODEL 23
1 H1 GLY 1 H GLY 1 2.402 5.987 -11.733
2 HA2 GLY 1 HA2 GLY 1 2.753 8.048 -9.627
3 HA3 GLY 1 HA3 GLY 1 1.198 7.561 -10.300
4 H SER 2 H SER 2 3.921 6.559 -8.286
5 HA SER 2 HA SER 2 2.334 4.933 -6.538
6 HB2 SER 2 HB2 SER 2 4.366 3.717 -8.453
7 HB3 SER 2 HB3 SER 2 4.161 3.048 -6.827
8 HG SER 2 HG SER 2 2.797 2.292 -8.741
9 H GLY 3 H GLY 3 3.654 4.433 -4.633
10 HA2 GLY 3 HA2 GLY 3 6.329 5.192 -4.198
11 HA3 GLY 3 HA3 GLY 3 5.285 6.563 -3.772
12 H CYS 4 H CYS 4 6.621 3.735 -2.580
13 HA CYS 4 HA CYS 4 5.561 3.765 -0.026
14 HB2 CYS 4 HB2 CYS 4 3.985 2.136 -1.972
15 HB3 CYS 4 HB3 CYS 4 4.397 1.390 -0.429
16 H ASP 5 H ASP 5 6.894 2.890 1.143
17 HA ASP 5 HA ASP 5 9.233 1.593 0.208
18 HB2 ASP 5 HB2 ASP 5 8.628 2.085 3.099
19 HB3 ASP 5 HB3 ASP 5 10.055 2.505 2.148
20 H ASP 6 H ASP 6 10.031 -0.256 1.655
21 HA ASP 6 HA ASP 6 8.106 -2.428 1.602
22 HB2 ASP 6 HB2 ASP 6 10.066 -3.751 2.532
23 HB3 ASP 6 HB3 ASP 6 10.311 -2.954 0.973
24 H LYS 7 H LYS 7 9.327 -0.295 4.137
25 HA LYS 7 HA LYS 7 8.121 -2.028 6.215
26 HB2 LYS 7 HB2 LYS 7 9.195 -0.729 7.779
27 HB3 LYS 7 HB3 LYS 7 10.298 -0.859 6.398
28 HG2 LYS 7 HG2 LYS 7 9.593 1.492 5.739
29 HG3 LYS 7 HG3 LYS 7 8.667 1.563 7.226
30 HD2 LYS 7 HD2 LYS 7 10.796 2.685 7.491
31 HD3 LYS 7 HD3 LYS 7 10.719 1.310 8.583
32 HE2 LYS 7 HE2 LYS 7 11.975 0.912 5.867
33 HE3 LYS 7 HE3 LYS 7 12.861 1.908 7.013
34 HZ1 LYS 7 HZ1 LYS 7 11.973 -0.800 7.804
35 HZ2 LYS 7 HZ2 LYS 7 13.187 0.149 8.426
36 HZ3 LYS 7 HZ3 LYS 7 13.339 -0.554 6.957
37 H CYS 8 H CYS 8 7.148 0.541 4.260
38 HA CYS 8 HA CYS 8 5.364 1.917 5.925
39 HB2 CYS 8 HB2 CYS 8 4.869 3.117 4.132
40 HB3 CYS 8 HB3 CYS 8 6.412 2.405 3.648
41 H GLY 9 H GLY 9 4.644 -1.255 5.889
42 HA2 GLY 9 HA2 GLY 9 2.779 -2.345 6.219
43 HA3 GLY 9 HA3 GLY 9 1.871 -0.835 6.112
44 H CYS 10 H CYS 10 4.104 -1.779 3.516
45 HA CYS 10 HA CYS 10 1.806 -2.712 2.020
46 HB2 CYS 10 HB2 CYS 10 3.799 -0.645 1.103
47 HB3 CYS 10 HB3 CYS 10 2.664 -1.418 0.007
48 H ALA 11 H ALA 11 2.272 -4.050 0.156
49 HA ALA 11 HA ALA 11 4.568 -5.677 0.546
50 HB1 ALA 11 HB1 ALA 11 2.364 -6.492 -0.379
51 HB2 ALA 11 HB2 ALA 11 2.707 -5.564 -1.867
52 HB3 ALA 11 HB3 ALA 11 3.744 -6.911 -1.394
53 H VAL 12 H VAL 12 6.038 -6.172 -1.460
54 HA VAL 12 HA VAL 12 6.860 -3.620 -2.734
55 HB VAL 12 HB VAL 12 8.706 -5.870 -1.914
56 HG11 VAL 12 HG11 VAL 12 10.417 -4.110 -2.151
57 HG12 VAL 12 HG12 VAL 12 9.517 -4.297 -3.653
58 HG13 VAL 12 HG13 VAL 12 9.172 -2.918 -2.588
59 HG21 VAL 12 HG21 VAL 12 8.170 -3.326 -0.356
60 HG22 VAL 12 HG22 VAL 12 7.680 -4.953 0.169
61 HG23 VAL 12 HG23 VAL 12 9.379 -4.600 -0.010
62 HA PRO 13 HA PRO 13 7.052 -2.747 -4.629
63 HB2 PRO 13 HB2 PRO 13 5.856 -2.247 -6.987
64 HB3 PRO 13 HB3 PRO 13 7.525 -2.886 -6.912
65 HG2 PRO 13 HG2 PRO 13 4.962 -4.457 -7.372
66 HG3 PRO 13 HG3 PRO 13 6.488 -4.515 -8.312
67 HD2 PRO 13 HD2 PRO 13 5.893 -6.297 -6.285
68 HD3 PRO 13 HD3 PRO 13 7.568 -5.782 -6.644
69 H CYS 14 H CYS 14 5.232 -1.143 -4.417
70 HA CYS 14 HA CYS 14 2.953 -2.401 -3.149
71 HB2 CYS 14 HB2 CYS 14 4.035 -0.197 -2.510
72 HB3 CYS 14 HB3 CYS 14 3.206 0.533 -3.862
73 HA PRO 15 HA PRO 15 0.540 -2.653 -6.930
74 HB2 PRO 15 HB2 PRO 15 -1.928 -3.272 -5.972
75 HB3 PRO 15 HB3 PRO 15 -0.555 -4.408 -5.824
76 HG2 PRO 15 HG2 PRO 15 -1.512 -2.395 -3.744
77 HG3 PRO 15 HG3 PRO 15 -1.281 -4.141 -3.515
78 HD2 PRO 15 HD2 PRO 15 0.675 -2.445 -2.851
79 HD3 PRO 15 HD3 PRO 15 1.101 -3.950 -3.702
80 H GLY 16 H GLY 16 -0.346 -0.505 -4.275
81 HA2 GLY 16 HA2 GLY 16 -0.714 1.848 -4.653
82 HA3 GLY 16 HA3 GLY 16 -1.407 1.476 -6.225
83 H GLY 17 H GLY 17 -3.390 -0.316 -5.910
84 HA2 GLY 17 HA2 GLY 17 -5.336 1.071 -4.240
85 HA3 GLY 17 HA3 GLY 17 -5.594 -0.180 -5.458
86 H THR 18 H THR 18 -6.324 -1.976 -4.791
87 HA THR 18 HA THR 18 -7.318 -2.895 -2.659
88 HB THR 18 HB THR 18 -6.776 -5.223 -3.321
89 HG1 THR 18 HG1 THR 18 -5.496 -4.664 -5.604
90 HG21 THR 18 HG21 THR 18 -8.576 -3.983 -4.455
91 HG22 THR 18 HG22 THR 18 -7.782 -5.118 -5.541
92 HG23 THR 18 HG23 THR 18 -7.433 -3.385 -5.669
93 H GLY 19 H GLY 19 -3.964 -4.049 -3.026
94 HA2 GLY 19 HA2 GLY 19 -3.792 -4.865 -0.264
95 HA3 GLY 19 HA3 GLY 19 -2.506 -4.910 -1.456
96 H CYS 20 H CYS 20 -3.379 -1.651 -1.528
97 HA CYS 20 HA CYS 20 -1.059 -1.069 0.148
98 HB2 CYS 20 HB2 CYS 20 -1.574 0.247 -1.921
99 HB3 CYS 20 HB3 CYS 20 -2.981 0.899 -1.088
100 H ARG 21 H ARG 21 -1.763 -1.786 2.314
101 HA ARG 21 HA ARG 21 -4.136 -1.034 3.583
102 HB2 ARG 21 HB2 ARG 21 -1.383 -1.490 4.793
103 HB3 ARG 21 HB3 ARG 21 -2.810 -1.164 5.753
104 HG2 ARG 21 HG2 ARG 21 -2.441 -3.495 5.747
105 HG3 ARG 21 HG3 ARG 21 -3.947 -3.160 4.888
106 HD2 ARG 21 HD2 ARG 21 -2.887 -3.621 2.754
107 HD3 ARG 21 HD3 ARG 21 -1.290 -3.716 3.500
108 HE ARG 21 HE ARG 21 -1.740 -5.821 4.309
109 HH11 ARG 21 HH11 ARG 21 -4.769 -4.622 2.807
110 HH12 ARG 21 HH12 ARG 21 -5.595 -6.128 3.084
111 HH21 ARG 21 HH21 ARG 21 -2.820 -7.740 4.590
112 HH22 ARG 21 HH22 ARG 21 -4.481 -7.903 4.106
113 H CYS 22 H CYS 22 -1.481 1.050 2.879
114 HA CYS 22 HA CYS 22 -2.014 3.142 4.776
115 HB2 CYS 22 HB2 CYS 22 -0.879 3.495 2.009
116 HB3 CYS 22 HB3 CYS 22 -0.670 4.583 3.365
117 H THR 23 H THR 23 -4.329 2.156 2.551
118 HA THR 23 HA THR 23 -5.392 4.858 2.398
119 HB THR 23 HB THR 23 -4.016 4.192 0.272
120 HG1 THR 23 HG1 THR 23 -5.713 5.939 0.595
121 HG21 THR 23 HG21 THR 23 -6.638 2.824 -0.461
122 HG22 THR 23 HG22 THR 23 -5.110 1.981 -0.143
123 HG23 THR 23 HG23 THR 23 -5.233 3.090 -1.513
124 H SER 24 H SER 24 -7.650 4.856 2.563
125 HA SER 24 HA SER 24 -8.733 2.518 3.805
126 HB2 SER 24 HB2 SER 24 -10.188 4.955 2.776
127 HB3 SER 24 HB3 SER 24 -10.756 3.785 3.986
128 HG SER 24 HG SER 24 -9.237 4.529 5.441
129 H ALA 25 H ALA 25 -9.809 0.836 2.841
130 HA ALA 25 HA ALA 25 -10.797 1.030 0.066
131 HB1 ALA 25 HB1 ALA 25 -9.776 -1.175 -0.410
132 HB2 ALA 25 HB2 ALA 25 -8.538 0.053 -0.084
133 HB3 ALA 25 HB3 ALA 25 -8.967 -1.153 1.165
134 H ARG 26 H ARG 26 -12.270 -0.928 -0.371
135 HA ARG 26 HA ARG 26 -13.357 -2.617 1.515
136 HB2 ARG 26 HB2 ARG 26 -15.548 -1.469 1.942
137 HB3 ARG 26 HB3 ARG 26 -14.234 -0.713 2.794
138 HG2 ARG 26 HG2 ARG 26 -14.090 1.060 1.054
139 HG3 ARG 26 HG3 ARG 26 -15.394 0.282 0.150
140 HD2 ARG 26 HD2 ARG 26 -16.976 0.723 1.920
141 HD3 ARG 26 HD3 ARG 26 -15.673 1.215 3.017
142 HE ARG 26 HE ARG 26 -16.208 2.664 0.479
143 HH11 ARG 26 HH11 ARG 26 -16.066 2.784 4.062
144 HH12 ARG 26 HH12 ARG 26 -16.373 4.487 4.117
145 HH21 ARG 26 HH21 ARG 26 -16.064 4.896 0.591
146 HH22 ARG 26 HH22 ARG 26 -16.147 5.775 2.093
Start of MODEL 24
1 H1 GLY 1 H GLY 1 11.086 3.010 -6.930
2 HA2 GLY 1 HA2 GLY 1 9.650 3.874 -8.698
3 HA3 GLY 1 HA3 GLY 1 8.512 2.573 -8.333
4 H SER 2 H SER 2 8.907 5.794 -7.977
5 HA SER 2 HA SER 2 8.614 6.588 -5.415
6 HB2 SER 2 HB2 SER 2 7.240 7.646 -7.920
7 HB3 SER 2 HB3 SER 2 7.393 8.540 -6.401
8 HG SER 2 HG SER 2 9.060 8.657 -8.268
9 H GLY 3 H GLY 3 7.110 6.911 -3.938
10 HA2 GLY 3 HA2 GLY 3 4.693 7.243 -3.434
11 HA3 GLY 3 HA3 GLY 3 4.388 5.779 -4.354
12 H CYS 4 H CYS 4 3.913 4.235 -2.991
13 HA CYS 4 HA CYS 4 4.534 4.070 -0.205
14 HB2 CYS 4 HB2 CYS 4 3.654 2.138 -2.346
15 HB3 CYS 4 HB3 CYS 4 4.237 1.452 -0.849
16 H ASP 5 H ASP 5 6.289 3.416 0.962
17 HA ASP 5 HA ASP 5 8.687 2.688 -0.453
18 HB2 ASP 5 HB2 ASP 5 8.107 4.231 1.733
19 HB3 ASP 5 HB3 ASP 5 8.373 2.689 2.557
20 H ASP 6 H ASP 6 9.914 0.765 1.120
21 HA ASP 6 HA ASP 6 8.194 -1.572 0.660
22 HB2 ASP 6 HB2 ASP 6 10.080 -2.901 1.197
23 HB3 ASP 6 HB3 ASP 6 10.626 -1.596 0.130
24 H LYS 7 H LYS 7 9.410 0.334 3.382
25 HA LYS 7 HA LYS 7 8.567 -1.548 5.409
26 HB2 LYS 7 HB2 LYS 7 9.234 0.130 6.985
27 HB3 LYS 7 HB3 LYS 7 10.421 0.034 5.683
28 HG2 LYS 7 HG2 LYS 7 9.398 2.081 4.655
29 HG3 LYS 7 HG3 LYS 7 8.326 2.206 6.050
30 HD2 LYS 7 HD2 LYS 7 11.373 2.342 6.133
31 HD3 LYS 7 HD3 LYS 7 10.284 3.733 6.146
32 HE2 LYS 7 HE2 LYS 7 9.273 2.819 8.295
33 HE3 LYS 7 HE3 LYS 7 10.542 1.587 8.282
34 HZ1 LYS 7 HZ1 LYS 7 10.959 4.516 8.534
35 HZ2 LYS 7 HZ2 LYS 7 12.173 3.404 8.375
36 HZ3 LYS 7 HZ3 LYS 7 11.173 3.380 9.678
37 H CYS 8 H CYS 8 6.895 0.846 3.677
38 HA CYS 8 HA CYS 8 4.963 1.603 5.554
39 HB2 CYS 8 HB2 CYS 8 3.950 2.804 3.952
40 HB3 CYS 8 HB3 CYS 8 5.665 2.780 3.498
41 H GLY 9 H GLY 9 4.824 -1.605 5.125
42 HA2 GLY 9 HA2 GLY 9 3.180 -2.964 5.580
43 HA3 GLY 9 HA3 GLY 9 2.022 -1.635 5.520
44 H CYS 10 H CYS 10 4.005 -1.844 2.722
45 HA CYS 10 HA CYS 10 1.889 -3.393 1.466
46 HB2 CYS 10 HB2 CYS 10 3.456 -1.184 0.071
47 HB3 CYS 10 HB3 CYS 10 2.220 -2.185 -0.662
48 H ALA 11 H ALA 11 2.295 -4.612 -0.422
49 HA ALA 11 HA ALA 11 4.786 -5.985 -0.513
50 HB1 ALA 11 HB1 ALA 11 2.589 -5.678 -2.640
51 HB2 ALA 11 HB2 ALA 11 3.850 -6.912 -2.649
52 HB3 ALA 11 HB3 ALA 11 2.625 -6.919 -1.369
53 H VAL 12 H VAL 12 6.299 -5.936 -2.475
54 HA VAL 12 HA VAL 12 6.571 -3.201 -3.615
55 HB VAL 12 HB VAL 12 8.770 -5.028 -2.630
56 HG11 VAL 12 HG11 VAL 12 8.852 -2.149 -3.659
57 HG12 VAL 12 HG12 VAL 12 10.222 -3.057 -2.991
58 HG13 VAL 12 HG13 VAL 12 9.493 -3.578 -4.499
59 HG21 VAL 12 HG21 VAL 12 7.663 -2.443 -1.436
60 HG22 VAL 12 HG22 VAL 12 7.548 -4.069 -0.710
61 HG23 VAL 12 HG23 VAL 12 9.123 -3.310 -0.901
62 HA PRO 13 HA PRO 13 7.110 -2.213 -5.505
63 HB2 PRO 13 HB2 PRO 13 5.893 -1.757 -7.900
64 HB3 PRO 13 HB3 PRO 13 7.636 -2.161 -7.773
65 HG2 PRO 13 HG2 PRO 13 5.345 -3.966 -8.532
66 HG3 PRO 13 HG3 PRO 13 6.992 -3.895 -9.226
67 HD2 PRO 13 HD2 PRO 13 6.150 -5.726 -7.282
68 HD3 PRO 13 HD3 PRO 13 7.841 -5.267 -7.556
69 H CYS 14 H CYS 14 5.122 -0.873 -5.025
70 HA CYS 14 HA CYS 14 3.091 -2.601 -3.935
71 HB2 CYS 14 HB2 CYS 14 3.736 -0.483 -2.910
72 HB3 CYS 14 HB3 CYS 14 2.962 0.388 -4.252
73 HA PRO 15 HA PRO 15 0.592 -2.906 -7.621
74 HB2 PRO 15 HB2 PRO 15 -1.675 -4.073 -6.514
75 HB3 PRO 15 HB3 PRO 15 -0.176 -4.956 -6.961
76 HG2 PRO 15 HG2 PRO 15 -1.076 -3.930 -4.291
77 HG3 PRO 15 HG3 PRO 15 -0.299 -5.507 -4.684
78 HD2 PRO 15 HD2 PRO 15 1.084 -3.424 -3.613
79 HD3 PRO 15 HD3 PRO 15 1.825 -4.529 -4.805
80 H GLY 16 H GLY 16 -0.928 -1.602 -4.605
81 HA2 GLY 16 HA2 GLY 16 -1.735 0.725 -4.703
82 HA3 GLY 16 HA3 GLY 16 -2.401 0.403 -6.291
83 H GLY 17 H GLY 17 -3.664 -2.131 -5.819
84 HA2 GLY 17 HA2 GLY 17 -6.037 -1.254 -4.361
85 HA3 GLY 17 HA3 GLY 17 -5.791 -2.717 -5.323
86 H THR 18 H THR 18 -6.074 -4.503 -4.337
87 HA THR 18 HA THR 18 -6.385 -4.953 -1.695
88 HB THR 18 HB THR 18 -5.233 -6.986 -3.643
89 HG1 THR 18 HG1 THR 18 -7.798 -7.056 -3.836
90 HG21 THR 18 HG21 THR 18 -6.777 -8.522 -2.522
91 HG22 THR 18 HG22 THR 18 -7.377 -7.211 -1.485
92 HG23 THR 18 HG23 THR 18 -5.701 -7.771 -1.336
93 H GLY 19 H GLY 19 -3.258 -5.021 -3.469
94 HA2 GLY 19 HA2 GLY 19 -1.782 -5.849 -1.095
95 HA3 GLY 19 HA3 GLY 19 -1.087 -5.409 -2.629
96 H CYS 20 H CYS 20 -3.396 -3.128 -1.237
97 HA CYS 20 HA CYS 20 -1.154 -1.565 -0.093
98 HB2 CYS 20 HB2 CYS 20 -1.903 -0.763 -2.373
99 HB3 CYS 20 HB3 CYS 20 -3.416 -0.295 -1.575
100 H ARG 21 H ARG 21 -2.011 -2.611 1.985
101 HA ARG 21 HA ARG 21 -4.421 -1.770 3.212
102 HB2 ARG 21 HB2 ARG 21 -1.711 -2.717 4.244
103 HB3 ARG 21 HB3 ARG 21 -3.023 -2.429 5.350
104 HG2 ARG 21 HG2 ARG 21 -3.245 -4.378 3.048
105 HG3 ARG 21 HG3 ARG 21 -2.694 -4.821 4.657
106 HD2 ARG 21 HD2 ARG 21 -5.405 -3.562 4.094
107 HD3 ARG 21 HD3 ARG 21 -5.129 -5.291 4.174
108 HE ARG 21 HE ARG 21 -4.983 -3.323 6.392
109 HH11 ARG 21 HH11 ARG 21 -5.040 -6.808 5.442
110 HH12 ARG 21 HH12 ARG 21 -5.548 -7.279 7.024
111 HH21 ARG 21 HH21 ARG 21 -5.392 -4.148 8.541
112 HH22 ARG 21 HH22 ARG 21 -5.766 -5.822 8.729
113 H CYS 22 H CYS 22 -2.598 0.538 2.171
114 HA CYS 22 HA CYS 22 -2.150 2.197 4.616
115 HB2 CYS 22 HB2 CYS 22 -1.386 2.421 1.703
116 HB3 CYS 22 HB3 CYS 22 -1.235 3.796 2.776
117 H THR 23 H THR 23 -4.651 1.989 2.080
118 HA THR 23 HA THR 23 -5.295 4.838 2.680
119 HB THR 23 HB THR 23 -4.562 4.317 0.357
120 HG1 THR 23 HG1 THR 23 -5.690 6.127 0.628
121 HG21 THR 23 HG21 THR 23 -6.117 3.278 -1.200
122 HG22 THR 23 HG22 THR 23 -7.247 2.897 0.109
123 HG23 THR 23 HG23 THR 23 -5.657 2.106 0.044
124 H SER 24 H SER 24 -7.506 5.412 2.588
125 HA SER 24 HA SER 24 -9.274 3.385 3.851
126 HB2 SER 24 HB2 SER 24 -8.662 5.204 5.410
127 HB3 SER 24 HB3 SER 24 -9.224 6.401 4.226
128 HG SER 24 HG SER 24 -10.959 6.105 5.463
129 H ALA 25 H ALA 25 -10.428 2.675 2.244
130 HA ALA 25 HA ALA 25 -12.052 4.396 0.505
131 HB1 ALA 25 HB1 ALA 25 -10.147 3.742 -0.905
132 HB2 ALA 25 HB2 ALA 25 -10.298 2.051 -0.388
133 HB3 ALA 25 HB3 ALA 25 -11.577 2.804 -1.371
134 H ARG 26 H ARG 26 -13.871 2.674 -0.366
135 HA ARG 26 HA ARG 26 -14.424 0.912 1.982
136 HB2 ARG 26 HB2 ARG 26 -16.014 2.812 1.658
137 HB3 ARG 26 HB3 ARG 26 -16.485 2.113 0.118
138 HG2 ARG 26 HG2 ARG 26 -18.076 1.493 1.869
139 HG3 ARG 26 HG3 ARG 26 -17.239 0.040 1.307
140 HD2 ARG 26 HD2 ARG 26 -15.758 0.111 3.288
141 HD3 ARG 26 HD3 ARG 26 -16.493 1.624 3.822
142 HE ARG 26 HE ARG 26 -17.462 -1.111 4.063
143 HH11 ARG 26 HH11 ARG 26 -18.468 2.333 4.326
144 HH12 ARG 26 HH12 ARG 26 -19.871 1.910 5.280
145 HH21 ARG 26 HH21 ARG 26 -19.340 -1.551 5.284
146 HH22 ARG 26 HH22 ARG 26 -20.357 -0.269 5.809
Start of MODEL 25
1 H1 GLY 1 H GLY 1 5.269 12.146 -2.132
2 HA2 GLY 1 HA2 GLY 1 3.645 13.581 -4.164
3 HA3 GLY 1 HA3 GLY 1 5.141 12.706 -4.528
4 H SER 2 H SER 2 5.045 10.512 -4.934
5 HA SER 2 HA SER 2 2.806 8.941 -3.933
6 HB2 SER 2 HB2 SER 2 3.247 9.624 -6.850
7 HB3 SER 2 HB3 SER 2 2.458 8.104 -6.370
8 HG SER 2 HG SER 2 1.605 10.400 -5.033
9 H GLY 3 H GLY 3 3.212 6.585 -5.076
10 HA2 GLY 3 HA2 GLY 3 4.865 4.979 -5.585
11 HA3 GLY 3 HA3 GLY 3 6.091 5.965 -4.795
12 H CYS 4 H CYS 4 6.266 3.567 -3.849
13 HA CYS 4 HA CYS 4 5.195 3.696 -1.138
14 HB2 CYS 4 HB2 CYS 4 4.298 1.683 -3.219
15 HB3 CYS 4 HB3 CYS 4 4.521 1.132 -1.572
16 H ASP 5 H ASP 5 6.562 2.852 0.269
17 HA ASP 5 HA ASP 5 8.982 1.447 -0.620
18 HB2 ASP 5 HB2 ASP 5 8.180 3.326 1.571
19 HB3 ASP 5 HB3 ASP 5 9.269 2.051 2.050
20 H ASP 6 H ASP 6 9.755 -0.119 1.025
21 HA ASP 6 HA ASP 6 8.054 -2.338 1.243
22 HB2 ASP 6 HB2 ASP 6 9.992 -3.352 2.292
23 HB3 ASP 6 HB3 ASP 6 10.557 -2.303 0.984
24 H LYS 7 H LYS 7 8.937 0.156 3.653
25 HA LYS 7 HA LYS 7 7.648 -1.345 5.847
26 HB2 LYS 7 HB2 LYS 7 8.658 1.529 5.744
27 HB3 LYS 7 HB3 LYS 7 8.239 0.621 7.183
28 HG2 LYS 7 HG2 LYS 7 10.605 0.109 5.363
29 HG3 LYS 7 HG3 LYS 7 10.629 0.819 6.977
30 HD2 LYS 7 HD2 LYS 7 9.625 -1.379 7.824
31 HD3 LYS 7 HD3 LYS 7 9.975 -2.056 6.232
32 HE2 LYS 7 HE2 LYS 7 12.017 -0.884 8.187
33 HE3 LYS 7 HE3 LYS 7 11.725 -2.600 7.880
34 HZ1 LYS 7 HZ1 LYS 7 13.572 -2.011 6.613
35 HZ2 LYS 7 HZ2 LYS 7 12.902 -0.639 6.028
36 HZ3 LYS 7 HZ3 LYS 7 12.342 -2.082 5.505
37 H CYS 8 H CYS 8 6.608 0.851 3.445
38 HA CYS 8 HA CYS 8 4.590 2.268 4.840
39 HB2 CYS 8 HB2 CYS 8 4.739 3.525 3.070
40 HB3 CYS 8 HB3 CYS 8 6.050 2.434 2.586
41 H GLY 9 H GLY 9 3.955 -0.668 5.158
42 HA2 GLY 9 HA2 GLY 9 2.049 -1.873 5.240
43 HA3 GLY 9 HA3 GLY 9 1.142 -0.435 4.697
44 H CYS 10 H CYS 10 3.996 -1.710 2.959
45 HA CYS 10 HA CYS 10 2.162 -2.888 1.044
46 HB2 CYS 10 HB2 CYS 10 4.247 -0.785 0.314
47 HB3 CYS 10 HB3 CYS 10 3.322 -1.747 -0.829
48 H ALA 11 H ALA 11 2.828 -4.318 -0.354
49 HA ALA 11 HA ALA 11 5.081 -5.948 0.231
50 HB1 ALA 11 HB1 ALA 11 2.982 -6.811 -0.786
51 HB2 ALA 11 HB2 ALA 11 3.261 -5.800 -2.223
52 HB3 ALA 11 HB3 ALA 11 4.367 -7.122 -1.852
53 H VAL 12 H VAL 12 6.723 -6.455 -1.576
54 HA VAL 12 HA VAL 12 7.591 -4.013 -3.040
55 HB VAL 12 HB VAL 12 9.281 -5.984 -1.459
56 HG11 VAL 12 HG11 VAL 12 10.116 -3.522 -3.070
57 HG12 VAL 12 HG12 VAL 12 11.177 -4.513 -2.045
58 HG13 VAL 12 HG13 VAL 12 10.472 -5.232 -3.492
59 HG21 VAL 12 HG21 VAL 12 9.865 -4.087 -0.086
60 HG22 VAL 12 HG22 VAL 12 8.814 -2.999 -1.027
61 HG23 VAL 12 HG23 VAL 12 8.120 -4.296 -0.038
62 HA PRO 13 HA PRO 13 7.411 -3.511 -5.084
63 HB2 PRO 13 HB2 PRO 13 5.969 -3.736 -7.369
64 HB3 PRO 13 HB3 PRO 13 7.735 -4.016 -7.345
65 HG2 PRO 13 HG2 PRO 13 5.537 -6.095 -7.187
66 HG3 PRO 13 HG3 PRO 13 6.949 -6.077 -8.286
67 HD2 PRO 13 HD2 PRO 13 6.976 -7.487 -5.952
68 HD3 PRO 13 HD3 PRO 13 8.435 -6.673 -6.570
69 H CYS 14 H CYS 14 5.356 -2.243 -5.071
70 HA CYS 14 HA CYS 14 3.314 -3.627 -3.476
71 HB2 CYS 14 HB2 CYS 14 4.058 -1.392 -2.844
72 HB3 CYS 14 HB3 CYS 14 3.540 -0.774 -4.409
73 HA PRO 15 HA PRO 15 1.213 -4.434 -7.406
74 HB2 PRO 15 HB2 PRO 15 -1.083 -5.655 -6.410
75 HB3 PRO 15 HB3 PRO 15 0.512 -6.452 -6.596
76 HG2 PRO 15 HG2 PRO 15 -0.702 -5.196 -4.128
77 HG3 PRO 15 HG3 PRO 15 0.109 -6.791 -4.277
78 HD2 PRO 15 HD2 PRO 15 1.424 -4.620 -3.342
79 HD3 PRO 15 HD3 PRO 15 2.240 -5.794 -4.414
80 H GLY 16 H GLY 16 -0.303 -2.617 -4.772
81 HA2 GLY 16 HA2 GLY 16 -1.567 -0.610 -5.061
82 HA3 GLY 16 HA3 GLY 16 -1.821 -1.013 -6.761
83 H GLY 17 H GLY 17 -2.506 -3.892 -5.682
84 HA2 GLY 17 HA2 GLY 17 -5.378 -3.501 -5.464
85 HA3 GLY 17 HA3 GLY 17 -4.482 -5.040 -5.557
86 H THR 18 H THR 18 -5.764 -5.934 -3.746
87 HA THR 18 HA THR 18 -6.092 -4.772 -1.302
88 HB THR 18 HB THR 18 -5.467 -7.720 -1.714
89 HG1 THR 18 HG1 THR 18 -7.688 -7.836 -2.327
90 HG21 THR 18 HG21 THR 18 -7.308 -6.166 0.169
91 HG22 THR 18 HG22 THR 18 -5.880 -7.134 0.616
92 HG23 THR 18 HG23 THR 18 -7.332 -7.931 -0.016
93 H GLY 19 H GLY 19 -3.128 -6.200 -2.608
94 HA2 GLY 19 HA2 GLY 19 -1.563 -6.385 -0.274
95 HA3 GLY 19 HA3 GLY 19 -0.936 -6.177 -1.909
96 H CYS 20 H CYS 20 -2.879 -3.445 -1.536
97 HA CYS 20 HA CYS 20 -0.592 -1.890 -0.355
98 HB2 CYS 20 HB2 CYS 20 -1.299 -1.334 -2.761
99 HB3 CYS 20 HB3 CYS 20 -2.821 -0.795 -2.056
100 H ARG 21 H ARG 21 -0.962 -1.568 1.794
101 HA ARG 21 HA ARG 21 -3.718 -0.997 2.702
102 HB2 ARG 21 HB2 ARG 21 -1.251 -2.165 4.058
103 HB3 ARG 21 HB3 ARG 21 -2.611 -1.527 4.970
104 HG2 ARG 21 HG2 ARG 21 -2.959 -3.678 2.843
105 HG3 ARG 21 HG3 ARG 21 -2.601 -4.053 4.533
106 HD2 ARG 21 HD2 ARG 21 -4.669 -3.188 5.321
107 HD3 ARG 21 HD3 ARG 21 -4.955 -2.273 3.846
108 HE ARG 21 HE ARG 21 -5.833 -4.019 2.792
109 HH11 ARG 21 HH11 ARG 21 -4.247 -5.322 5.729
110 HH12 ARG 21 HH12 ARG 21 -4.890 -6.914 5.488
111 HH21 ARG 21 HH21 ARG 21 -6.802 -6.185 2.658
112 HH22 ARG 21 HH22 ARG 21 -6.290 -7.386 3.795
113 H CYS 22 H CYS 22 -3.499 0.927 1.718
114 HA CYS 22 HA CYS 22 -2.191 2.988 3.410
115 HB2 CYS 22 HB2 CYS 22 -1.774 3.143 0.417
116 HB3 CYS 22 HB3 CYS 22 -1.247 4.300 1.634
117 H THR 23 H THR 23 -3.796 3.045 0.164
118 HA THR 23 HA THR 23 -5.081 5.490 0.600
119 HB THR 23 HB THR 23 -4.420 4.469 -1.563
120 HG1 THR 23 HG1 THR 23 -6.375 5.128 -2.635
121 HG21 THR 23 HG21 THR 23 -5.895 2.892 -2.691
122 HG22 THR 23 HG22 THR 23 -6.926 2.775 -1.268
123 HG23 THR 23 HG23 THR 23 -5.262 2.162 -1.215
124 H SER 24 H SER 24 -7.314 5.975 0.804
125 HA SER 24 HA SER 24 -8.608 4.722 2.948
126 HB2 SER 24 HB2 SER 24 -9.928 6.342 0.725
127 HB3 SER 24 HB3 SER 24 -10.482 6.151 2.396
128 HG SER 24 HG SER 24 -8.279 7.098 2.899
129 H ALA 25 H ALA 25 -10.398 3.328 3.073
130 HA ALA 25 HA ALA 25 -11.250 1.954 0.608
131 HB1 ALA 25 HB1 ALA 25 -10.281 0.531 3.129
132 HB2 ALA 25 HB2 ALA 25 -10.935 -0.230 1.666
133 HB3 ALA 25 HB3 ALA 25 -9.389 0.633 1.594
134 H ARG 26 H ARG 26 -13.085 0.366 1.313
135 HA ARG 26 HA ARG 26 -14.728 1.249 3.513
136 HB2 ARG 26 HB2 ARG 26 -15.058 2.688 1.153
137 HB3 ARG 26 HB3 ARG 26 -16.107 1.322 0.841
138 HG2 ARG 26 HG2 ARG 26 -17.489 2.943 1.790
139 HG3 ARG 26 HG3 ARG 26 -17.203 1.815 3.118
140 HD2 ARG 26 HD2 ARG 26 -15.460 3.360 4.009
141 HD3 ARG 26 HD3 ARG 26 -15.746 4.450 2.641
142 HE ARG 26 HE ARG 26 -18.194 3.865 4.030
143 HH11 ARG 26 HH11 ARG 26 -15.251 5.802 4.506
144 HH12 ARG 26 HH12 ARG 26 -16.096 7.144 5.195
145 HH21 ARG 26 HH21 ARG 26 -19.242 5.415 5.148
146 HH22 ARG 26 HH22 ARG 26 -18.439 6.808 5.808
Start of MODEL 26
1 H1 GLY 1 H GLY 1 2.045 6.979 -11.686
2 HA2 GLY 1 HA2 GLY 1 0.247 5.396 -9.944
3 HA3 GLY 1 HA3 GLY 1 1.909 4.945 -10.365
4 H SER 2 H SER 2 0.034 6.251 -7.961
5 HA SER 2 HA SER 2 1.307 8.401 -6.880
6 HB2 SER 2 HB2 SER 2 -0.869 7.354 -6.215
7 HB3 SER 2 HB3 SER 2 0.033 6.103 -5.338
8 HG SER 2 HG SER 2 -0.235 7.553 -3.793
9 H GLY 3 H GLY 3 1.895 5.216 -5.252
10 HA2 GLY 3 HA2 GLY 3 4.393 4.597 -5.261
11 HA3 GLY 3 HA3 GLY 3 4.589 6.139 -4.423
12 H CYS 4 H CYS 4 5.313 3.721 -3.183
13 HA CYS 4 HA CYS 4 3.655 3.714 -0.782
14 HB2 CYS 4 HB2 CYS 4 3.942 1.318 -2.611
15 HB3 CYS 4 HB3 CYS 4 3.600 1.140 -0.900
16 H ASP 5 H ASP 5 4.664 2.105 0.909
17 HA ASP 5 HA ASP 5 7.510 1.667 0.672
18 HB2 ASP 5 HB2 ASP 5 6.312 2.863 3.156
19 HB3 ASP 5 HB3 ASP 5 7.973 2.917 2.586
20 H ASP 6 H ASP 6 7.962 0.166 2.681
21 HA ASP 6 HA ASP 6 5.983 -1.927 2.711
22 HB2 ASP 6 HB2 ASP 6 8.370 -2.382 3.062
23 HB3 ASP 6 HB3 ASP 6 8.324 -1.503 4.590
24 H LYS 7 H LYS 7 6.959 0.537 5.057
25 HA LYS 7 HA LYS 7 5.353 -0.141 7.256
26 HB2 LYS 7 HB2 LYS 7 6.258 2.568 6.254
27 HB3 LYS 7 HB3 LYS 7 5.564 2.329 7.839
28 HG2 LYS 7 HG2 LYS 7 8.061 0.818 6.978
29 HG3 LYS 7 HG3 LYS 7 8.169 2.465 7.536
30 HD2 LYS 7 HD2 LYS 7 6.882 0.236 9.161
31 HD3 LYS 7 HD3 LYS 7 8.571 0.708 9.315
32 HE2 LYS 7 HE2 LYS 7 6.174 2.522 9.862
33 HE3 LYS 7 HE3 LYS 7 7.149 1.697 11.075
34 HZ1 LYS 7 HZ1 LYS 7 7.921 3.919 10.876
35 HZ2 LYS 7 HZ2 LYS 7 8.089 3.826 9.249
36 HZ3 LYS 7 HZ3 LYS 7 9.076 2.956 10.250
37 H CYS 8 H CYS 8 4.408 1.341 4.201
38 HA CYS 8 HA CYS 8 2.009 2.542 5.253
39 HB2 CYS 8 HB2 CYS 8 1.560 3.203 3.168
40 HB3 CYS 8 HB3 CYS 8 3.318 2.984 3.045
41 H GLY 9 H GLY 9 2.876 -0.764 4.520
42 HA2 GLY 9 HA2 GLY 9 1.461 -2.544 5.189
43 HA3 GLY 9 HA3 GLY 9 0.024 -1.605 4.774
44 H CYS 10 H CYS 10 2.836 -1.658 2.527
45 HA CYS 10 HA CYS 10 1.288 -3.520 0.771
46 HB2 CYS 10 HB2 CYS 10 2.932 -1.278 -0.355
47 HB3 CYS 10 HB3 CYS 10 1.868 -2.501 -1.093
48 H ALA 11 H ALA 11 2.575 -4.858 -0.526
49 HA ALA 11 HA ALA 11 4.874 -5.935 0.504
50 HB1 ALA 11 HB1 ALA 11 4.037 -5.892 -2.440
51 HB2 ALA 11 HB2 ALA 11 5.065 -7.105 -1.652
52 HB3 ALA 11 HB3 ALA 11 3.364 -6.964 -1.210
53 H VAL 12 H VAL 12 6.984 -6.259 -0.651
54 HA VAL 12 HA VAL 12 8.139 -3.724 -1.618
55 HB VAL 12 HB VAL 12 9.400 -5.830 0.164
56 HG11 VAL 12 HG11 VAL 12 11.107 -4.822 -1.258
57 HG12 VAL 12 HG12 VAL 12 10.474 -3.191 -0.960
58 HG13 VAL 12 HG13 VAL 12 11.242 -4.119 0.345
59 HG21 VAL 12 HG21 VAL 12 9.402 -4.037 1.859
60 HG22 VAL 12 HG22 VAL 12 8.433 -3.001 0.777
61 HG23 VAL 12 HG23 VAL 12 7.774 -4.516 1.427
62 HA PRO 13 HA PRO 13 8.310 -2.999 -3.482
63 HB2 PRO 13 HB2 PRO 13 7.932 -2.862 -6.129
64 HB3 PRO 13 HB3 PRO 13 9.576 -3.029 -5.437
65 HG2 PRO 13 HG2 PRO 13 7.812 -5.212 -6.577
66 HG3 PRO 13 HG3 PRO 13 9.538 -4.882 -6.932
67 HD2 PRO 13 HD2 PRO 13 8.674 -6.748 -5.071
68 HD3 PRO 13 HD3 PRO 13 10.232 -5.875 -4.940
69 H CYS 14 H CYS 14 6.168 -2.059 -4.136
70 HA CYS 14 HA CYS 14 3.996 -3.951 -3.554
71 HB2 CYS 14 HB2 CYS 14 4.038 -1.733 -2.563
72 HB3 CYS 14 HB3 CYS 14 4.040 -1.000 -4.164
73 HA PRO 15 HA PRO 15 3.453 -4.679 -7.975
74 HB2 PRO 15 HB2 PRO 15 0.950 -5.817 -8.026
75 HB3 PRO 15 HB3 PRO 15 2.440 -6.683 -7.546
76 HG2 PRO 15 HG2 PRO 15 0.347 -5.430 -5.751
77 HG3 PRO 15 HG3 PRO 15 1.164 -7.012 -5.578
78 HD2 PRO 15 HD2 PRO 15 1.957 -4.798 -4.186
79 HD3 PRO 15 HD3 PRO 15 3.128 -6.017 -4.749
80 H GLY 16 H GLY 16 0.713 -3.306 -6.146
81 HA2 GLY 16 HA2 GLY 16 0.075 -0.989 -6.489
82 HA3 GLY 16 HA3 GLY 16 0.490 -1.128 -8.182
83 H GLY 17 H GLY 17 -0.998 -3.840 -8.348
84 HA2 GLY 17 HA2 GLY 17 -3.572 -2.712 -9.005
85 HA3 GLY 17 HA3 GLY 17 -2.979 -4.347 -9.261
86 H THR 18 H THR 18 -4.750 -5.454 -8.510
87 HA THR 18 HA THR 18 -6.347 -4.977 -6.321
88 HB THR 18 HB THR 18 -6.711 -7.554 -6.550
89 HG1 THR 18 HG1 THR 18 -5.265 -8.500 -7.746
90 HG21 THR 18 HG21 THR 18 -7.908 -7.265 -8.681
91 HG22 THR 18 HG22 THR 18 -7.044 -5.742 -8.981
92 HG23 THR 18 HG23 THR 18 -8.173 -5.877 -7.608
93 H GLY 19 H GLY 19 -3.039 -6.138 -6.179
94 HA2 GLY 19 HA2 GLY 19 -3.334 -7.408 -3.554
95 HA3 GLY 19 HA3 GLY 19 -1.851 -7.124 -4.474
96 H CYS 20 H CYS 20 -3.100 -4.141 -4.662
97 HA CYS 20 HA CYS 20 -1.506 -3.184 -2.389
98 HB2 CYS 20 HB2 CYS 20 -1.321 -2.208 -4.695
99 HB3 CYS 20 HB3 CYS 20 -2.970 -1.607 -4.473
100 H ARG 21 H ARG 21 -2.910 -4.111 -0.795
101 HA ARG 21 HA ARG 21 -5.567 -3.166 -0.385
102 HB2 ARG 21 HB2 ARG 21 -5.445 -4.054 1.883
103 HB3 ARG 21 HB3 ARG 21 -5.005 -5.176 0.653
104 HG2 ARG 21 HG2 ARG 21 -2.670 -3.784 1.885
105 HG3 ARG 21 HG3 ARG 21 -3.659 -4.765 2.986
106 HD2 ARG 21 HD2 ARG 21 -3.501 -6.666 1.345
107 HD3 ARG 21 HD3 ARG 21 -2.275 -5.741 0.471
108 HE ARG 21 HE ARG 21 -1.410 -5.787 3.130
109 HH11 ARG 21 HH11 ARG 21 -2.175 -8.308 0.679
110 HH12 ARG 21 HH12 ARG 21 -1.297 -9.521 1.525
111 HH21 ARG 21 HH21 ARG 21 -0.023 -7.337 3.991
112 HH22 ARG 21 HH22 ARG 21 0.095 -8.944 3.283
113 H CYS 22 H CYS 22 -3.389 -1.141 -0.570
114 HA CYS 22 HA CYS 22 -3.274 0.559 1.720
115 HB2 CYS 22 HB2 CYS 22 -1.917 0.356 -0.502
116 HB3 CYS 22 HB3 CYS 22 -3.088 1.464 -1.184
117 H THR 23 H THR 23 -5.383 0.477 -1.168
118 HA THR 23 HA THR 23 -6.695 2.953 -0.742
119 HB THR 23 HB THR 23 -6.455 1.889 -2.861
120 HG1 THR 23 HG1 THR 23 -8.446 3.130 -2.219
121 HG21 THR 23 HG21 THR 23 -6.611 -0.522 -2.249
122 HG22 THR 23 HG22 THR 23 -7.629 -0.086 -3.610
123 HG23 THR 23 HG23 THR 23 -8.351 -0.316 -2.004
124 H SER 24 H SER 24 -7.411 3.295 1.234
125 HA SER 24 HA SER 24 -9.725 2.046 2.323
126 HB2 SER 24 HB2 SER 24 -8.493 1.523 4.529
127 HB3 SER 24 HB3 SER 24 -8.337 0.362 3.205
128 HG SER 24 HG SER 24 -6.344 1.741 2.726
129 H ALA 25 H ALA 25 -10.321 3.313 4.291
130 HA ALA 25 HA ALA 25 -9.091 6.032 4.372
131 HB1 ALA 25 HB1 ALA 25 -11.283 6.024 3.170
132 HB2 ALA 25 HB2 ALA 25 -12.053 5.355 4.628
133 HB3 ALA 25 HB3 ALA 25 -11.317 6.969 4.668
134 H ARG 26 H ARG 26 -9.539 7.141 6.466
135 HA ARG 26 HA ARG 26 -8.911 5.292 8.638
136 HB2 ARG 26 HB2 ARG 26 -8.499 7.154 10.004
137 HB3 ARG 26 HB3 ARG 26 -7.783 7.496 8.436
138 HG2 ARG 26 HG2 ARG 26 -9.789 8.972 7.931
139 HG3 ARG 26 HG3 ARG 26 -10.354 8.645 9.585
140 HD2 ARG 26 HD2 ARG 26 -7.952 9.388 10.303
141 HD3 ARG 26 HD3 ARG 26 -7.841 10.099 8.691
142 HE ARG 26 HE ARG 26 -9.927 11.373 9.269
143 HH11 ARG 26 HH11 ARG 26 -7.611 10.471 11.819
144 HH12 ARG 26 HH12 ARG 26 -8.175 11.670 12.922
145 HH21 ARG 26 HH21 ARG 26 -10.854 12.700 10.830
146 HH22 ARG 26 HH22 ARG 26 -10.015 13.019 12.318
Start of MODEL 27
1 H1 GLY 1 H GLY 1 4.360 10.080 -9.366
2 HA2 GLY 1 HA2 GLY 1 4.948 12.358 -7.568
3 HA3 GLY 1 HA3 GLY 1 3.321 11.781 -7.997
4 H SER 2 H SER 2 2.741 11.404 -5.821
5 HA SER 2 HA SER 2 4.235 10.061 -3.891
6 HB2 SER 2 HB2 SER 2 1.235 10.229 -4.376
7 HB3 SER 2 HB3 SER 2 1.949 9.517 -2.919
8 HG SER 2 HG SER 2 2.581 11.403 -2.234
9 H GLY 3 H GLY 3 4.689 8.003 -3.467
10 HA2 GLY 3 HA2 GLY 3 3.344 5.769 -4.856
11 HA3 GLY 3 HA3 GLY 3 5.111 5.960 -4.968
12 H CYS 4 H CYS 4 4.602 3.735 -3.813
13 HA CYS 4 HA CYS 4 4.691 4.212 -0.849
14 HB2 CYS 4 HB2 CYS 4 3.991 1.620 -2.165
15 HB3 CYS 4 HB3 CYS 4 3.785 2.071 -0.496
16 H ASP 5 H ASP 5 5.874 2.340 0.271
17 HA ASP 5 HA ASP 5 7.998 1.116 -1.189
18 HB2 ASP 5 HB2 ASP 5 8.879 3.404 -0.434
19 HB3 ASP 5 HB3 ASP 5 8.481 2.894 1.229
20 H ASP 6 H ASP 6 9.102 -0.156 0.759
21 HA ASP 6 HA ASP 6 7.085 -1.860 1.856
22 HB2 ASP 6 HB2 ASP 6 10.049 -1.657 2.424
23 HB3 ASP 6 HB3 ASP 6 8.987 -2.993 2.912
24 H LYS 7 H LYS 7 9.101 0.779 3.211
25 HA LYS 7 HA LYS 7 8.189 0.599 5.902
26 HB2 LYS 7 HB2 LYS 7 9.137 3.011 4.298
27 HB3 LYS 7 HB3 LYS 7 8.795 3.072 6.021
28 HG2 LYS 7 HG2 LYS 7 10.810 1.145 4.852
29 HG3 LYS 7 HG3 LYS 7 11.238 2.781 5.325
30 HD2 LYS 7 HD2 LYS 7 9.822 1.178 7.430
31 HD3 LYS 7 HD3 LYS 7 11.398 0.591 6.936
32 HE2 LYS 7 HE2 LYS 7 11.805 1.932 8.789
33 HE3 LYS 7 HE3 LYS 7 12.381 2.856 7.417
34 HZ1 LYS 7 HZ1 LYS 7 10.597 4.356 7.669
35 HZ2 LYS 7 HZ2 LYS 7 11.036 4.044 9.188
36 HZ3 LYS 7 HZ3 LYS 7 9.709 3.329 8.627
37 H CYS 8 H CYS 8 6.404 1.472 3.109
38 HA CYS 8 HA CYS 8 4.540 3.330 4.323
39 HB2 CYS 8 HB2 CYS 8 4.977 3.011 1.829
40 HB3 CYS 8 HB3 CYS 8 4.075 1.486 1.966
41 H GLY 9 H GLY 9 4.862 -0.222 4.539
42 HA2 GLY 9 HA2 GLY 9 3.702 -1.493 6.032
43 HA3 GLY 9 HA3 GLY 9 2.434 -0.269 6.171
44 H CYS 10 H CYS 10 3.390 -0.961 2.923
45 HA CYS 10 HA CYS 10 0.797 -2.282 2.478
46 HB2 CYS 10 HB2 CYS 10 2.931 -1.646 0.438
47 HB3 CYS 10 HB3 CYS 10 1.344 -2.238 0.103
48 H ALA 11 H ALA 11 0.939 -4.321 0.950
49 HA ALA 11 HA ALA 11 2.677 -6.312 2.042
50 HB1 ALA 11 HB1 ALA 11 0.516 -6.852 0.909
51 HB2 ALA 11 HB2 ALA 11 1.186 -6.267 -0.639
52 HB3 ALA 11 HB3 ALA 11 1.870 -7.700 0.146
53 H VAL 12 H VAL 12 4.485 -7.453 0.679
54 HA VAL 12 HA VAL 12 5.846 -5.462 -1.063
55 HB VAL 12 HB VAL 12 7.043 -7.084 1.176
56 HG11 VAL 12 HG11 VAL 12 8.254 -5.038 -0.721
57 HG12 VAL 12 HG12 VAL 12 9.084 -5.857 0.632
58 HG13 VAL 12 HG13 VAL 12 8.545 -6.773 -0.779
59 HG21 VAL 12 HG21 VAL 12 6.511 -4.071 0.897
60 HG22 VAL 12 HG22 VAL 12 5.813 -5.166 2.108
61 HG23 VAL 12 HG23 VAL 12 7.535 -4.814 2.145
62 HA PRO 13 HA PRO 13 7.072 -5.344 -2.896
63 HB2 PRO 13 HB2 PRO 13 6.505 -5.570 -5.560
64 HB3 PRO 13 HB3 PRO 13 8.034 -6.179 -4.848
65 HG2 PRO 13 HG2 PRO 13 5.504 -7.731 -5.447
66 HG3 PRO 13 HG3 PRO 13 7.194 -8.170 -5.867
67 HD2 PRO 13 HD2 PRO 13 5.918 -9.182 -3.691
68 HD3 PRO 13 HD3 PRO 13 7.656 -8.781 -3.634
69 H CYS 14 H CYS 14 5.578 -3.588 -3.260
70 HA CYS 14 HA CYS 14 2.916 -4.205 -2.487
71 HB2 CYS 14 HB2 CYS 14 3.992 -2.255 -1.779
72 HB3 CYS 14 HB3 CYS 14 4.214 -1.650 -3.420
73 HA PRO 15 HA PRO 15 1.449 -5.407 -6.526
74 HB2 PRO 15 HB2 PRO 15 -1.330 -5.129 -5.939
75 HB3 PRO 15 HB3 PRO 15 -0.324 -6.579 -5.783
76 HG2 PRO 15 HG2 PRO 15 -1.115 -4.553 -3.724
77 HG3 PRO 15 HG3 PRO 15 -0.931 -6.323 -3.515
78 HD2 PRO 15 HD2 PRO 15 0.897 -4.542 -2.641
79 HD3 PRO 15 HD3 PRO 15 1.413 -6.109 -3.331
80 H GLY 16 H GLY 16 0.812 -2.252 -5.232
81 HA2 GLY 16 HA2 GLY 16 0.586 -0.270 -6.527
82 HA3 GLY 16 HA3 GLY 16 0.388 -1.254 -7.980
83 H GLY 17 H GLY 17 -1.691 -2.454 -8.235
84 HA2 GLY 17 HA2 GLY 17 -4.006 -1.249 -6.761
85 HA3 GLY 17 HA3 GLY 17 -3.978 -1.398 -8.505
86 H THR 18 H THR 18 -2.494 -4.268 -7.989
87 HA THR 18 HA THR 18 -4.830 -5.764 -8.245
88 HB THR 18 HB THR 18 -2.720 -7.402 -7.220
89 HG1 THR 18 HG1 THR 18 -1.009 -6.810 -8.426
90 HG21 THR 18 HG21 THR 18 -4.257 -8.027 -9.069
91 HG22 THR 18 HG22 THR 18 -2.568 -8.201 -9.557
92 HG23 THR 18 HG23 THR 18 -3.493 -6.788 -10.101
93 H GLY 19 H GLY 19 -3.512 -4.504 -5.380
94 HA2 GLY 19 HA2 GLY 19 -5.553 -5.427 -3.678
95 HA3 GLY 19 HA3 GLY 19 -4.206 -6.555 -3.483
96 H CYS 20 H CYS 20 -3.689 -3.093 -4.166
97 HA CYS 20 HA CYS 20 -2.018 -2.892 -1.759
98 HB2 CYS 20 HB2 CYS 20 -1.372 -1.690 -3.822
99 HB3 CYS 20 HB3 CYS 20 -2.801 -0.660 -3.634
100 H ARG 21 H ARG 21 -3.585 -3.250 -0.048
101 HA ARG 21 HA ARG 21 -6.174 -2.087 0.061
102 HB2 ARG 21 HB2 ARG 21 -6.238 -2.753 2.407
103 HB3 ARG 21 HB3 ARG 21 -5.737 -4.008 1.299
104 HG2 ARG 21 HG2 ARG 21 -3.299 -2.855 2.166
105 HG3 ARG 21 HG3 ARG 21 -4.322 -2.834 3.596
106 HD2 ARG 21 HD2 ARG 21 -2.999 -4.871 3.530
107 HD3 ARG 21 HD3 ARG 21 -4.714 -5.261 3.382
108 HE ARG 21 HE ARG 21 -4.224 -5.337 0.849
109 HH11 ARG 21 HH11 ARG 21 -2.279 -6.799 3.426
110 HH12 ARG 21 HH12 ARG 21 -1.680 -8.052 2.409
111 HH21 ARG 21 HH21 ARG 21 -3.270 -6.788 -0.512
112 HH22 ARG 21 HH22 ARG 21 -2.257 -8.063 0.111
113 H CYS 22 H CYS 22 -3.291 -0.532 0.583
114 HA CYS 22 HA CYS 22 -3.455 1.488 2.358
115 HB2 CYS 22 HB2 CYS 22 -1.953 0.776 0.239
116 HB3 CYS 22 HB3 CYS 22 -2.775 2.124 -0.507
117 H THR 23 H THR 23 -5.327 1.276 -0.665
118 HA THR 23 HA THR 23 -6.120 3.953 -0.864
119 HB THR 23 HB THR 23 -6.027 2.167 -2.602
120 HG1 THR 23 HG1 THR 23 -6.899 4.009 -3.112
121 HG21 THR 23 HG21 THR 23 -8.752 1.261 -1.625
122 HG22 THR 23 HG22 THR 23 -7.230 0.354 -1.422
123 HG23 THR 23 HG23 THR 23 -7.843 0.681 -3.037
124 H SER 24 H SER 24 -7.625 1.255 1.006
125 HA SER 24 HA SER 24 -9.642 3.208 2.006
126 HB2 SER 24 HB2 SER 24 -10.762 1.407 0.821
127 HB3 SER 24 HB3 SER 24 -9.838 0.192 1.719
128 HG SER 24 HG SER 24 -12.135 1.375 2.415
129 H ALA 25 H ALA 25 -8.442 4.068 3.559
130 HA ALA 25 HA ALA 25 -7.077 2.312 5.537
131 HB1 ALA 25 HB1 ALA 25 -6.464 5.163 4.658
132 HB2 ALA 25 HB2 ALA 25 -5.618 4.278 5.935
133 HB3 ALA 25 HB3 ALA 25 -5.523 3.696 4.257
134 H ARG 26 H ARG 26 -9.931 2.938 5.574
135 HA ARG 26 HA ARG 26 -10.266 5.037 7.570
136 HB2 ARG 26 HB2 ARG 26 -12.028 3.862 5.731
137 HB3 ARG 26 HB3 ARG 26 -12.542 3.155 7.272
138 HG2 ARG 26 HG2 ARG 26 -12.613 5.428 8.265
139 HG3 ARG 26 HG3 ARG 26 -12.069 6.127 6.723
140 HD2 ARG 26 HD2 ARG 26 -14.149 5.159 5.653
141 HD3 ARG 26 HD3 ARG 26 -14.738 4.763 7.273
142 HE ARG 26 HE ARG 26 -14.601 7.354 5.972
143 HH11 ARG 26 HH11 ARG 26 -14.736 5.824 9.183
144 HH12 ARG 26 HH12 ARG 26 -14.675 7.334 10.029
145 HH21 ARG 26 HH21 ARG 26 -14.665 9.394 7.178
146 HH22 ARG 26 HH22 ARG 26 -14.801 9.338 8.884
Start of MODEL 28
1 H1 GLY 1 H GLY 1 6.784 2.838 -9.478
2 HA2 GLY 1 HA2 GLY 1 5.187 4.619 -8.948
3 HA3 GLY 1 HA3 GLY 1 5.259 3.401 -7.662
4 H SER 2 H SER 2 4.325 5.986 -7.131
5 HA SER 2 HA SER 2 6.372 7.058 -5.279
6 HB2 SER 2 HB2 SER 2 6.247 8.476 -7.321
7 HB3 SER 2 HB3 SER 2 4.521 8.734 -6.990
8 HG SER 2 HG SER 2 5.503 10.405 -6.047
9 H GLY 3 H GLY 3 5.505 7.160 -3.267
10 HA2 GLY 3 HA2 GLY 3 3.567 7.995 -1.945
11 HA3 GLY 3 HA3 GLY 3 2.546 6.928 -2.903
12 H CYS 4 H CYS 4 5.382 5.157 -2.380
13 HA CYS 4 HA CYS 4 5.050 4.339 0.337
14 HB2 CYS 4 HB2 CYS 4 3.534 2.916 -1.823
15 HB3 CYS 4 HB3 CYS 4 4.319 1.867 -0.685
16 H ASP 5 H ASP 5 6.081 2.002 0.619
17 HA ASP 5 HA ASP 5 8.052 1.139 -1.237
18 HB2 ASP 5 HB2 ASP 5 9.046 3.185 -0.042
19 HB3 ASP 5 HB3 ASP 5 8.712 2.337 1.477
20 H ASP 6 H ASP 6 9.286 -0.527 0.284
21 HA ASP 6 HA ASP 6 7.428 -2.446 1.372
22 HB2 ASP 6 HB2 ASP 6 9.642 -2.970 0.326
23 HB3 ASP 6 HB3 ASP 6 10.454 -2.225 1.700
24 H LYS 7 H LYS 7 9.832 -0.167 2.779
25 HA LYS 7 HA LYS 7 9.424 -0.640 5.485
26 HB2 LYS 7 HB2 LYS 7 10.239 1.907 4.012
27 HB3 LYS 7 HB3 LYS 7 10.246 1.779 5.758
28 HG2 LYS 7 HG2 LYS 7 11.690 -0.358 5.440
29 HG3 LYS 7 HG3 LYS 7 11.895 0.222 3.787
30 HD2 LYS 7 HD2 LYS 7 13.758 1.091 4.731
31 HD3 LYS 7 HD3 LYS 7 12.702 2.466 4.985
32 HE2 LYS 7 HE2 LYS 7 13.134 0.272 7.071
33 HE3 LYS 7 HE3 LYS 7 14.256 1.611 6.887
34 HZ1 LYS 7 HZ1 LYS 7 12.744 2.103 8.614
35 HZ2 LYS 7 HZ2 LYS 7 11.420 1.876 7.691
36 HZ3 LYS 7 HZ3 LYS 7 12.452 3.147 7.419
37 H CYS 8 H CYS 8 7.133 0.577 3.399
38 HA CYS 8 HA CYS 8 5.680 2.258 5.351
39 HB2 CYS 8 HB2 CYS 8 5.660 2.670 2.872
40 HB3 CYS 8 HB3 CYS 8 4.735 1.159 2.696
41 H GLY 9 H GLY 9 5.957 -1.220 4.962
42 HA2 GLY 9 HA2 GLY 9 4.835 -2.846 6.046
43 HA3 GLY 9 HA3 GLY 9 3.746 -1.636 6.764
44 H CYS 10 H CYS 10 4.539 -2.090 3.334
45 HA CYS 10 HA CYS 10 1.699 -2.733 2.812
46 HB2 CYS 10 HB2 CYS 10 3.624 -1.063 1.117
47 HB3 CYS 10 HB3 CYS 10 2.176 -1.826 0.490
48 H ALA 11 H ALA 11 1.526 -3.951 0.538
49 HA ALA 11 HA ALA 11 3.144 -6.300 0.657
50 HB1 ALA 11 HB1 ALA 11 2.165 -6.739 -1.601
51 HB2 ALA 11 HB2 ALA 11 0.914 -6.237 -0.455
52 HB3 ALA 11 HB3 ALA 11 1.546 -5.085 -1.660
53 H VAL 12 H VAL 12 4.670 -6.915 -1.121
54 HA VAL 12 HA VAL 12 6.156 -4.600 -2.194
55 HB VAL 12 HB VAL 12 7.656 -7.040 -1.365
56 HG11 VAL 12 HG11 VAL 12 8.656 -5.099 -2.611
57 HG12 VAL 12 HG12 VAL 12 8.213 -4.031 -1.263
58 HG13 VAL 12 HG13 VAL 12 9.373 -5.353 -1.017
59 HG21 VAL 12 HG21 VAL 12 8.030 -6.142 0.887
60 HG22 VAL 12 HG22 VAL 12 6.806 -4.879 0.627
61 HG23 VAL 12 HG23 VAL 12 6.358 -6.606 0.701
62 HA PRO 13 HA PRO 13 6.783 -3.797 -4.020
63 HB2 PRO 13 HB2 PRO 13 5.809 -3.017 -6.414
64 HB3 PRO 13 HB3 PRO 13 7.333 -3.948 -6.293
65 HG2 PRO 13 HG2 PRO 13 4.552 -5.024 -6.879
66 HG3 PRO 13 HG3 PRO 13 6.065 -5.305 -7.791
67 HD2 PRO 13 HD2 PRO 13 5.141 -7.054 -5.886
68 HD3 PRO 13 HD3 PRO 13 6.894 -6.776 -6.114
69 H CYS 14 H CYS 14 5.280 -1.978 -3.574
70 HA CYS 14 HA CYS 14 2.665 -2.927 -2.713
71 HB2 CYS 14 HB2 CYS 14 3.864 -1.136 -1.514
72 HB3 CYS 14 HB3 CYS 14 3.675 -0.081 -2.912
73 HA PRO 15 HA PRO 15 1.090 -2.447 -6.871
74 HB2 PRO 15 HB2 PRO 15 -1.544 -2.969 -6.543
75 HB3 PRO 15 HB3 PRO 15 -0.281 -4.221 -6.364
76 HG2 PRO 15 HG2 PRO 15 -1.556 -2.557 -4.151
77 HG3 PRO 15 HG3 PRO 15 -1.441 -4.341 -4.250
78 HD2 PRO 15 HD2 PRO 15 0.407 -2.937 -2.882
79 HD3 PRO 15 HD3 PRO 15 0.923 -4.297 -3.918
80 H GLY 16 H GLY 16 0.244 -0.332 -4.298
81 HA2 GLY 16 HA2 GLY 16 -0.116 1.985 -4.490
82 HA3 GLY 16 HA3 GLY 16 -0.368 1.785 -6.214
83 H GLY 17 H GLY 17 -2.469 0.165 -6.521
84 HA2 GLY 17 HA2 GLY 17 -4.710 1.748 -5.689
85 HA3 GLY 17 HA3 GLY 17 -4.711 0.296 -6.705
86 H THR 18 H THR 18 -6.314 -0.813 -5.870
87 HA THR 18 HA THR 18 -7.541 -0.995 -3.525
88 HB THR 18 HB THR 18 -8.092 -3.358 -4.398
89 HG1 THR 18 HG1 THR 18 -7.226 -3.658 -6.572
90 HG21 THR 18 HG21 THR 18 -8.307 -1.041 -6.388
91 HG22 THR 18 HG22 THR 18 -9.387 -1.303 -5.004
92 HG23 THR 18 HG23 THR 18 -9.327 -2.490 -6.315
93 H GLY 19 H GLY 19 -4.602 -3.067 -4.205
94 HA2 GLY 19 HA2 GLY 19 -4.864 -4.466 -1.683
95 HA3 GLY 19 HA3 GLY 19 -3.477 -4.472 -2.771
96 H CYS 20 H CYS 20 -3.865 -1.241 -2.352
97 HA CYS 20 HA CYS 20 -1.746 -1.158 -0.356
98 HB2 CYS 20 HB2 CYS 20 -1.845 0.330 -2.390
99 HB3 CYS 20 HB3 CYS 20 -3.230 1.129 -1.630
100 H ARG 21 H ARG 21 -2.728 -1.865 1.609
101 HA ARG 21 HA ARG 21 -5.057 -1.362 2.851
102 HB2 ARG 21 HB2 ARG 21 -2.298 -1.048 4.119
103 HB3 ARG 21 HB3 ARG 21 -3.796 -1.128 5.035
104 HG2 ARG 21 HG2 ARG 21 -4.212 -3.414 4.139
105 HG3 ARG 21 HG3 ARG 21 -2.618 -3.356 3.339
106 HD2 ARG 21 HD2 ARG 21 -1.542 -2.925 5.478
107 HD3 ARG 21 HD3 ARG 21 -3.086 -2.898 6.331
108 HE ARG 21 HE ARG 21 -1.476 -5.163 5.844
109 HH11 ARG 21 HH11 ARG 21 -4.921 -4.226 5.895
110 HH12 ARG 21 HH12 ARG 21 -5.474 -5.814 6.249
111 HH21 ARG 21 HH21 ARG 21 -2.222 -7.243 6.498
112 HH22 ARG 21 HH22 ARG 21 -3.924 -7.577 6.486
113 H CYS 22 H CYS 22 -2.560 1.041 2.572
114 HA CYS 22 HA CYS 22 -3.439 2.987 4.410
115 HB2 CYS 22 HB2 CYS 22 -2.141 3.870 1.888
116 HB3 CYS 22 HB3 CYS 22 -1.812 4.336 3.554
117 H THR 23 H THR 23 -4.816 2.220 1.235
118 HA THR 23 HA THR 23 -5.827 4.839 0.704
119 HB THR 23 HB THR 23 -5.494 2.913 -0.922
120 HG1 THR 23 HG1 THR 23 -6.547 4.571 -1.676
121 HG21 THR 23 HG21 THR 23 -6.668 1.097 0.334
122 HG22 THR 23 HG22 THR 23 -7.264 1.308 -1.308
123 HG23 THR 23 HG23 THR 23 -8.197 1.929 0.073
124 H SER 24 H SER 24 -7.823 5.780 1.399
125 HA SER 24 HA SER 24 -8.881 4.946 3.877
126 HB2 SER 24 HB2 SER 24 -10.524 6.615 2.017
127 HB3 SER 24 HB3 SER 24 -10.111 6.880 3.707
128 HG SER 24 HG SER 24 -9.087 8.387 2.588
129 H ALA 25 H ALA 25 -9.511 4.069 0.648
130 HA ALA 25 HA ALA 25 -12.210 3.128 0.741
131 HB1 ALA 25 HB1 ALA 25 -10.896 4.045 -1.245
132 HB2 ALA 25 HB2 ALA 25 -9.962 2.536 -1.238
133 HB3 ALA 25 HB3 ALA 25 -11.700 2.504 -1.544
134 H ARG 26 H ARG 26 -12.261 0.787 -0.491
135 HA ARG 26 HA ARG 26 -10.797 -1.268 0.993
136 HB2 ARG 26 HB2 ARG 26 -13.833 -1.035 0.679
137 HB3 ARG 26 HB3 ARG 26 -13.002 -2.526 1.117
138 HG2 ARG 26 HG2 ARG 26 -12.050 -1.351 3.142
139 HG3 ARG 26 HG3 ARG 26 -13.006 0.070 2.712
140 HD2 ARG 26 HD2 ARG 26 -14.213 -1.100 4.403
141 HD3 ARG 26 HD3 ARG 26 -15.093 -1.342 2.887
142 HE ARG 26 HE ARG 26 -13.402 -3.515 3.029
143 HH11 ARG 26 HH11 ARG 26 -16.003 -2.288 5.147
144 HH12 ARG 26 HH12 ARG 26 -16.273 -3.796 5.915
145 HH21 ARG 26 HH21 ARG 26 -13.794 -5.476 3.933
146 HH22 ARG 26 HH22 ARG 26 -15.058 -5.703 5.125
Start of MODEL 29
1 H1 GLY 1 H GLY 1 7.975 1.539 -9.152
2 HA2 GLY 1 HA2 GLY 1 6.651 3.506 -9.552
3 HA3 GLY 1 HA3 GLY 1 5.948 2.612 -8.187
4 H SER 2 H SER 2 5.050 4.464 -7.059
5 HA SER 2 HA SER 2 6.969 5.954 -5.529
6 HB2 SER 2 HB2 SER 2 6.308 8.160 -6.233
7 HB3 SER 2 HB3 SER 2 6.910 7.277 -7.629
8 HG SER 2 HG SER 2 4.525 8.425 -7.206
9 H GLY 3 H GLY 3 5.335 7.736 -4.277
10 HA2 GLY 3 HA2 GLY 3 3.451 8.016 -2.948
11 HA3 GLY 3 HA3 GLY 3 2.719 6.572 -3.654
12 H CYS 4 H CYS 4 4.734 4.714 -3.209
13 HA CYS 4 HA CYS 4 5.138 4.621 -0.275
14 HB2 CYS 4 HB2 CYS 4 4.275 2.273 -1.993
15 HB3 CYS 4 HB3 CYS 4 4.680 2.276 -0.271
16 H ASP 5 H ASP 5 6.568 2.823 0.310
17 HA ASP 5 HA ASP 5 8.863 2.312 -1.376
18 HB2 ASP 5 HB2 ASP 5 10.268 2.951 0.598
19 HB3 ASP 5 HB3 ASP 5 9.457 4.340 -0.138
20 H ASP 6 H ASP 6 10.165 0.635 0.056
21 HA ASP 6 HA ASP 6 8.451 -1.522 0.817
22 HB2 ASP 6 HB2 ASP 6 10.791 -2.453 1.637
23 HB3 ASP 6 HB3 ASP 6 10.350 -2.353 -0.058
24 H LYS 7 H LYS 7 10.134 0.962 2.808
25 HA LYS 7 HA LYS 7 9.862 -0.481 5.274
26 HB2 LYS 7 HB2 LYS 7 10.345 2.432 4.552
27 HB3 LYS 7 HB3 LYS 7 10.115 1.959 6.227
28 HG2 LYS 7 HG2 LYS 7 12.203 0.694 4.427
29 HG3 LYS 7 HG3 LYS 7 12.529 2.112 5.413
30 HD2 LYS 7 HD2 LYS 7 11.351 -0.230 6.879
31 HD3 LYS 7 HD3 LYS 7 12.964 -0.445 6.228
32 HE2 LYS 7 HE2 LYS 7 13.185 0.291 8.460
33 HE3 LYS 7 HE3 LYS 7 13.731 1.602 7.416
34 HZ1 LYS 7 HZ1 LYS 7 11.638 2.753 7.902
35 HZ2 LYS 7 HZ2 LYS 7 12.353 2.287 9.289
36 HZ3 LYS 7 HZ3 LYS 7 11.081 1.428 8.736
37 H CYS 8 H CYS 8 7.717 1.677 3.593
38 HA CYS 8 HA CYS 8 5.879 2.572 5.349
39 HB2 CYS 8 HB2 CYS 8 6.016 2.998 2.907
40 HB3 CYS 8 HB3 CYS 8 5.279 1.428 2.606
41 H GLY 9 H GLY 9 6.145 -0.901 4.866
42 HA2 GLY 9 HA2 GLY 9 5.033 -2.459 6.159
43 HA3 GLY 9 HA3 GLY 9 3.789 -1.283 6.585
44 H CYS 10 H CYS 10 4.521 -1.276 3.275
45 HA CYS 10 HA CYS 10 1.969 -2.524 2.649
46 HB2 CYS 10 HB2 CYS 10 4.031 -1.070 0.959
47 HB3 CYS 10 HB3 CYS 10 2.567 -1.799 0.317
48 H ALA 11 H ALA 11 2.091 -3.855 0.390
49 HA ALA 11 HA ALA 11 3.827 -6.139 0.819
50 HB1 ALA 11 HB1 ALA 11 1.549 -6.362 -0.201
51 HB2 ALA 11 HB2 ALA 11 2.075 -5.336 -1.570
52 HB3 ALA 11 HB3 ALA 11 2.816 -6.927 -1.309
53 H VAL 12 H VAL 12 5.501 -6.762 -0.852
54 HA VAL 12 HA VAL 12 6.668 -4.415 -2.267
55 HB VAL 12 HB VAL 12 8.131 -6.440 -0.544
56 HG11 VAL 12 HG11 VAL 12 9.122 -4.074 -2.191
57 HG12 VAL 12 HG12 VAL 12 10.099 -4.952 -1.000
58 HG13 VAL 12 HG13 VAL 12 9.518 -5.789 -2.427
59 HG21 VAL 12 HG21 VAL 12 7.565 -3.475 -0.130
60 HG22 VAL 12 HG22 VAL 12 7.006 -4.820 0.887
61 HG23 VAL 12 HG23 VAL 12 8.720 -4.431 0.829
62 HA PRO 13 HA PRO 13 6.962 -3.931 -4.336
63 HB2 PRO 13 HB2 PRO 13 5.651 -3.958 -6.750
64 HB3 PRO 13 HB3 PRO 13 7.392 -4.312 -6.541
65 HG2 PRO 13 HG2 PRO 13 5.110 -6.280 -6.800
66 HG3 PRO 13 HG3 PRO 13 6.700 -6.311 -7.613
67 HD2 PRO 13 HD2 PRO 13 6.205 -7.795 -5.374
68 HD3 PRO 13 HD3 PRO 13 7.795 -7.058 -5.713
69 H CYS 14 H CYS 14 5.230 -2.301 -4.459
70 HA CYS 14 HA CYS 14 2.880 -3.319 -3.024
71 HB2 CYS 14 HB2 CYS 14 4.112 -1.417 -2.217
72 HB3 CYS 14 HB3 CYS 14 3.638 -0.449 -3.619
73 HA PRO 15 HA PRO 15 0.490 -3.381 -6.793
74 HB2 PRO 15 HB2 PRO 15 -2.065 -3.386 -5.705
75 HB3 PRO 15 HB3 PRO 15 -1.026 -4.822 -5.898
76 HG2 PRO 15 HG2 PRO 15 -1.447 -3.124 -3.438
77 HG3 PRO 15 HG3 PRO 15 -1.326 -4.914 -3.557
78 HD2 PRO 15 HD2 PRO 15 0.765 -3.412 -2.752
79 HD3 PRO 15 HD3 PRO 15 1.023 -4.829 -3.805
80 H GLY 16 H GLY 16 0.324 -0.710 -4.512
81 HA2 GLY 16 HA2 GLY 16 0.023 1.561 -5.168
82 HA3 GLY 16 HA3 GLY 16 -0.557 1.011 -6.733
83 H GLY 17 H GLY 17 -2.674 0.085 -6.920
84 HA2 GLY 17 HA2 GLY 17 -4.578 1.250 -4.961
85 HA3 GLY 17 HA3 GLY 17 -4.924 0.798 -6.630
86 H THR 18 H THR 18 -4.349 -1.656 -7.042
87 HA THR 18 HA THR 18 -6.247 -3.236 -6.049
88 HB THR 18 HB THR 18 -3.618 -4.372 -7.017
89 HG1 THR 18 HG1 THR 18 -4.658 -3.865 -9.137
90 HG21 THR 18 HG21 THR 18 -4.961 -5.961 -8.071
91 HG22 THR 18 HG22 THR 18 -6.438 -4.971 -7.951
92 HG23 THR 18 HG23 THR 18 -5.772 -5.731 -6.517
93 H GLY 19 H GLY 19 -6.213 -2.875 -3.631
94 HA2 GLY 19 HA2 GLY 19 -6.139 -4.149 -1.682
95 HA3 GLY 19 HA3 GLY 19 -4.851 -5.140 -2.367
96 H CYS 20 H CYS 20 -4.274 -1.640 -2.621
97 HA CYS 20 HA CYS 20 -1.976 -1.985 -0.846
98 HB2 CYS 20 HB2 CYS 20 -1.863 -0.397 -2.674
99 HB3 CYS 20 HB3 CYS 20 -3.145 0.565 -1.930
100 H ARG 21 H ARG 21 -2.346 -2.202 1.364
101 HA ARG 21 HA ARG 21 -4.751 -1.738 2.721
102 HB2 ARG 21 HB2 ARG 21 -1.863 -1.841 3.663
103 HB3 ARG 21 HB3 ARG 21 -3.172 -1.603 4.802
104 HG2 ARG 21 HG2 ARG 21 -3.027 -4.025 2.970
105 HG3 ARG 21 HG3 ARG 21 -2.343 -3.915 4.596
106 HD2 ARG 21 HD2 ARG 21 -4.790 -3.161 5.286
107 HD3 ARG 21 HD3 ARG 21 -5.247 -3.994 3.807
108 HE ARG 21 HE ARG 21 -4.401 -6.050 4.673
109 HH11 ARG 21 HH11 ARG 21 -4.082 -3.421 7.097
110 HH12 ARG 21 HH12 ARG 21 -3.903 -4.523 8.417
111 HH21 ARG 21 HH21 ARG 21 -4.178 -7.456 6.461
112 HH22 ARG 21 HH22 ARG 21 -3.790 -6.809 8.030
113 H CYS 22 H CYS 22 -2.353 0.659 1.988
114 HA CYS 22 HA CYS 22 -2.953 2.579 3.987
115 HB2 CYS 22 HB2 CYS 22 -2.162 3.130 1.121
116 HB3 CYS 22 HB3 CYS 22 -1.899 4.182 2.495
117 H THR 23 H THR 23 -4.920 1.702 1.124
118 HA THR 23 HA THR 23 -6.118 4.316 0.993
119 HB THR 23 HB THR 23 -5.801 2.484 -0.817
120 HG1 THR 23 HG1 THR 23 -8.331 3.639 -1.025
121 HG21 THR 23 HG21 THR 23 -8.570 1.637 0.113
122 HG22 THR 23 HG22 THR 23 -7.086 0.679 0.295
123 HG23 THR 23 HG23 THR 23 -7.690 1.080 -1.322
124 H SER 24 H SER 24 -8.098 5.027 1.822
125 HA SER 24 HA SER 24 -8.998 3.687 4.243
126 HB2 SER 24 HB2 SER 24 -8.826 6.222 3.777
127 HB3 SER 24 HB3 SER 24 -10.361 6.067 2.919
128 HG SER 24 HG SER 24 -11.344 5.374 4.841
129 H ALA 25 H ALA 25 -10.078 1.777 3.815
130 HA ALA 25 HA ALA 25 -11.913 1.503 1.520
131 HB1 ALA 25 HB1 ALA 25 -10.538 -0.446 2.199
132 HB2 ALA 25 HB2 ALA 25 -11.224 -0.383 3.837
133 HB3 ALA 25 HB3 ALA 25 -12.261 -0.781 2.458
134 H ARG 26 H ARG 26 -13.044 3.378 2.186
135 HA ARG 26 HA ARG 26 -14.882 4.471 2.872
136 HB2 ARG 26 HB2 ARG 26 -15.745 2.028 4.490
137 HB3 ARG 26 HB3 ARG 26 -16.630 3.518 4.217
138 HG2 ARG 26 HG2 ARG 26 -17.624 2.074 2.753
139 HG3 ARG 26 HG3 ARG 26 -16.595 3.092 1.763
140 HD2 ARG 26 HD2 ARG 26 -16.544 0.811 0.977
141 HD3 ARG 26 HD3 ARG 26 -14.951 1.230 1.585
142 HE ARG 26 HE ARG 26 -15.207 -0.238 3.365
143 HH11 ARG 26 HH11 ARG 26 -18.347 0.021 1.679
144 HH12 ARG 26 HH12 ARG 26 -19.007 -1.399 2.408
145 HH21 ARG 26 HH21 ARG 26 -16.098 -2.225 4.263
146 HH22 ARG 26 HH22 ARG 26 -17.784 -2.524 4.038
Start of MODEL 30
1 H1 GLY 1 H GLY 1 5.428 10.292 1.116
2 HA2 GLY 1 HA2 GLY 1 7.146 8.973 -0.905
3 HA3 GLY 1 HA3 GLY 1 6.084 8.085 0.212
4 H SER 2 H SER 2 6.252 8.938 -2.924
5 HA SER 2 HA SER 2 3.522 9.962 -3.296
6 HB2 SER 2 HB2 SER 2 5.774 9.308 -5.226
7 HB3 SER 2 HB3 SER 2 4.148 9.814 -5.710
8 HG SER 2 HG SER 2 4.631 11.743 -5.229
9 H GLY 3 H GLY 3 5.415 7.106 -4.399
10 HA2 GLY 3 HA2 GLY 3 2.927 5.503 -4.641
11 HA3 GLY 3 HA3 GLY 3 4.566 5.084 -5.192
12 H CYS 4 H CYS 4 4.030 3.023 -4.090
13 HA CYS 4 HA CYS 4 4.356 3.115 -1.098
14 HB2 CYS 4 HB2 CYS 4 3.221 1.071 -3.015
15 HB3 CYS 4 HB3 CYS 4 3.906 0.560 -1.491
16 H ASP 5 H ASP 5 6.045 2.000 -0.176
17 HA ASP 5 HA ASP 5 8.053 0.568 -1.794
18 HB2 ASP 5 HB2 ASP 5 8.635 2.740 0.267
19 HB3 ASP 5 HB3 ASP 5 9.821 1.795 -0.617
20 H ASP 6 H ASP 6 9.721 -0.177 0.160
21 HA ASP 6 HA ASP 6 8.341 -2.105 1.635
22 HB2 ASP 6 HB2 ASP 6 10.409 -2.760 2.416
23 HB3 ASP 6 HB3 ASP 6 10.830 -1.951 0.896
24 H LYS 7 H LYS 7 9.706 0.995 2.951
25 HA LYS 7 HA LYS 7 8.832 0.522 5.605
26 HB2 LYS 7 HB2 LYS 7 9.246 3.236 4.337
27 HB3 LYS 7 HB3 LYS 7 9.177 2.906 6.049
28 HG2 LYS 7 HG2 LYS 7 11.284 1.837 4.156
29 HG3 LYS 7 HG3 LYS 7 11.471 3.273 5.149
30 HD2 LYS 7 HD2 LYS 7 11.467 1.998 7.186
31 HD3 LYS 7 HD3 LYS 7 10.989 0.509 6.336
32 HE2 LYS 7 HE2 LYS 7 13.056 0.376 5.142
33 HE3 LYS 7 HE3 LYS 7 13.551 1.992 5.638
34 HZ1 LYS 7 HZ1 LYS 7 13.221 -0.227 7.570
35 HZ2 LYS 7 HZ2 LYS 7 13.987 1.245 7.805
36 HZ3 LYS 7 HZ3 LYS 7 14.599 0.090 6.819
37 H CYS 8 H CYS 8 6.863 1.123 2.914
38 HA CYS 8 HA CYS 8 4.798 2.642 4.253
39 HB2 CYS 8 HB2 CYS 8 5.021 2.488 1.768
40 HB3 CYS 8 HB3 CYS 8 4.530 0.792 1.870
41 H GLY 9 H GLY 9 5.786 -0.734 4.633
42 HA2 GLY 9 HA2 GLY 9 4.774 -2.373 5.901
43 HA3 GLY 9 HA3 GLY 9 3.514 -1.188 6.378
44 H CYS 10 H CYS 10 4.742 -2.402 3.279
45 HA CYS 10 HA CYS 10 2.177 -3.433 2.468
46 HB2 CYS 10 HB2 CYS 10 3.746 -1.293 1.050
47 HB3 CYS 10 HB3 CYS 10 2.714 -2.413 0.140
48 H ALA 11 H ALA 11 2.615 -4.950 0.514
49 HA ALA 11 HA ALA 11 4.982 -6.492 0.902
50 HB1 ALA 11 HB1 ALA 11 2.864 -7.409 -0.032
51 HB2 ALA 11 HB2 ALA 11 3.065 -6.402 -1.493
52 HB3 ALA 11 HB3 ALA 11 4.222 -7.690 -1.128
53 H VAL 12 H VAL 12 6.656 -6.900 -0.888
54 HA VAL 12 HA VAL 12 7.277 -4.436 -2.430
55 HB VAL 12 HB VAL 12 9.178 -6.085 -0.725
56 HG11 VAL 12 HG11 VAL 12 10.296 -5.364 -2.817
57 HG12 VAL 12 HG12 VAL 12 9.787 -3.686 -2.508
58 HG13 VAL 12 HG13 VAL 12 10.914 -4.518 -1.411
59 HG21 VAL 12 HG21 VAL 12 9.533 -4.027 0.513
60 HG22 VAL 12 HG22 VAL 12 8.369 -3.160 -0.518
61 HG23 VAL 12 HG23 VAL 12 7.821 -4.448 0.579
62 HA PRO 13 HA PRO 13 7.236 -4.025 -4.475
63 HB2 PRO 13 HB2 PRO 13 5.986 -4.456 -6.827
64 HB3 PRO 13 HB3 PRO 13 7.794 -4.515 -6.668
65 HG2 PRO 13 HG2 PRO 13 5.819 -6.837 -6.598
66 HG3 PRO 13 HG3 PRO 13 7.295 -6.693 -7.627
67 HD2 PRO 13 HD2 PRO 13 7.302 -8.036 -5.246
68 HD3 PRO 13 HD3 PRO 13 8.692 -7.088 -5.766
69 H CYS 14 H CYS 14 4.985 -3.098 -4.902
70 HA CYS 14 HA CYS 14 2.961 -4.635 -3.377
71 HB2 CYS 14 HB2 CYS 14 3.729 -2.674 -2.342
72 HB3 CYS 14 HB3 CYS 14 3.544 -1.704 -3.793
73 HA PRO 15 HA PRO 15 0.432 -4.865 -7.043
74 HB2 PRO 15 HB2 PRO 15 -2.038 -5.427 -5.967
75 HB3 PRO 15 HB3 PRO 15 -0.654 -6.560 -5.894
76 HG2 PRO 15 HG2 PRO 15 -1.488 -4.542 -3.784
77 HG3 PRO 15 HG3 PRO 15 -1.295 -6.302 -3.592
78 HD2 PRO 15 HD2 PRO 15 0.749 -4.671 -2.982
79 HD3 PRO 15 HD3 PRO 15 1.082 -6.159 -3.924
80 H GLY 16 H GLY 16 -0.226 -2.274 -4.762
81 HA2 GLY 16 HA2 GLY 16 -1.083 -0.134 -5.241
82 HA3 GLY 16 HA3 GLY 16 -1.437 -0.651 -6.892
83 H GLY 17 H GLY 17 -3.143 -2.617 -6.714
84 HA2 GLY 17 HA2 GLY 17 -5.546 -1.670 -5.220
85 HA3 GLY 17 HA3 GLY 17 -5.524 -2.536 -6.780
86 H THR 18 H THR 18 -6.802 -4.185 -5.956
87 HA THR 18 HA THR 18 -7.363 -5.803 -4.323
88 HB THR 18 HB THR 18 -5.630 -6.957 -6.543
89 HG1 THR 18 HG1 THR 18 -7.602 -6.616 -7.786
90 HG21 THR 18 HG21 THR 18 -8.349 -7.850 -5.469
91 HG22 THR 18 HG22 THR 18 -6.792 -8.578 -4.994
92 HG23 THR 18 HG23 THR 18 -7.335 -8.686 -6.662
93 H GLY 19 H GLY 19 -6.319 -5.557 -2.291
94 HA2 GLY 19 HA2 GLY 19 -5.172 -6.974 -0.720
95 HA3 GLY 19 HA3 GLY 19 -3.894 -7.247 -1.911
96 H CYS 20 H CYS 20 -4.157 -4.083 -2.522
97 HA CYS 20 HA CYS 20 -1.980 -3.492 -0.783
98 HB2 CYS 20 HB2 CYS 20 -2.243 -2.508 -3.035
99 HB3 CYS 20 HB3 CYS 20 -3.579 -1.540 -2.401
100 H ARG 21 H ARG 21 -2.141 -3.003 1.373
101 HA ARG 21 HA ARG 21 -4.698 -2.392 2.545
102 HB2 ARG 21 HB2 ARG 21 -3.649 -2.637 4.638
103 HB3 ARG 21 HB3 ARG 21 -3.057 -3.883 3.570
104 HG2 ARG 21 HG2 ARG 21 -0.933 -3.305 4.015
105 HG3 ARG 21 HG3 ARG 21 -1.197 -1.683 3.367
106 HD2 ARG 21 HD2 ARG 21 -0.395 -1.452 5.620
107 HD3 ARG 21 HD3 ARG 21 -2.105 -1.044 5.657
108 HE ARG 21 HE ARG 21 -2.625 -3.004 6.767
109 HH11 ARG 21 HH11 ARG 21 0.875 -2.888 6.054
110 HH12 ARG 21 HH12 ARG 21 1.298 -4.095 7.210
111 HH21 ARG 21 HH21 ARG 21 -2.091 -4.974 7.841
112 HH22 ARG 21 HH22 ARG 21 -0.435 -5.341 8.226
113 H CYS 22 H CYS 22 -4.222 -0.189 0.836
114 HA CYS 22 HA CYS 22 -4.176 1.994 2.884
115 HB2 CYS 22 HB2 CYS 22 -2.810 2.545 0.317
116 HB3 CYS 22 HB3 CYS 22 -2.539 3.263 1.891
117 H THR 23 H THR 23 -6.125 0.614 0.734
118 HA THR 23 HA THR 23 -7.122 3.160 -0.470
119 HB THR 23 HB THR 23 -8.366 1.191 -1.880
120 HG1 THR 23 HG1 THR 23 -7.145 -0.481 -0.852
121 HG21 THR 23 HG21 THR 23 -5.641 2.466 -2.348
122 HG22 THR 23 HG22 THR 23 -7.226 3.018 -2.916
123 HG23 THR 23 HG23 THR 23 -6.517 1.536 -3.575
124 H SER 24 H SER 24 -8.196 3.817 1.436
125 HA SER 24 HA SER 24 -10.620 2.216 2.072
126 HB2 SER 24 HB2 SER 24 -10.202 2.974 4.450
127 HB3 SER 24 HB3 SER 24 -9.056 1.810 3.797
128 HG SER 24 HG SER 24 -8.702 4.565 4.264
129 H ALA 25 H ALA 25 -10.356 4.387 0.129
130 HA ALA 25 HA ALA 25 -11.248 6.848 1.230
131 HB1 ALA 25 HB1 ALA 25 -11.889 7.403 -1.088
132 HB2 ALA 25 HB2 ALA 25 -10.253 6.711 -1.005
133 HB3 ALA 25 HB3 ALA 25 -11.611 5.723 -1.573
134 H ARG 26 H ARG 26 -13.274 7.710 1.534
135 HA ARG 26 HA ARG 26 -15.720 6.219 0.974
136 HB2 ARG 26 HB2 ARG 26 -14.845 7.080 3.781
137 HB3 ARG 26 HB3 ARG 26 -16.483 6.575 3.328
138 HG2 ARG 26 HG2 ARG 26 -15.554 4.341 2.646
139 HG3 ARG 26 HG3 ARG 26 -13.968 4.847 3.272
140 HD2 ARG 26 HD2 ARG 26 -14.987 5.219 5.508
141 HD3 ARG 26 HD3 ARG 26 -16.532 4.640 4.864
142 HE ARG 26 HE ARG 26 -14.231 3.059 5.653
143 HH11 ARG 26 HH11 ARG 26 -17.297 3.018 3.784
144 HH12 ARG 26 HH12 ARG 26 -17.481 1.326 3.933
145 HH21 ARG 26 HH21 ARG 26 -14.422 0.853 5.719
146 HH22 ARG 26 HH22 ARG 26 -15.707 0.027 4.868
Start of MODEL 31
1 H1 GLY 1 H GLY 1 6.851 8.957 -2.195
2 HA2 GLY 1 HA2 GLY 1 5.968 10.154 -0.172
3 HA3 GLY 1 HA3 GLY 1 5.321 11.328 -1.299
4 H SER 2 H SER 2 3.891 9.935 -3.256
5 HA SER 2 HA SER 2 1.773 8.761 -1.673
6 HB2 SER 2 HB2 SER 2 0.583 8.772 -3.849
7 HB3 SER 2 HB3 SER 2 1.239 10.343 -3.396
8 HG SER 2 HG SER 2 1.654 9.864 -5.552
9 H GLY 3 H GLY 3 0.647 6.787 -3.230
10 HA2 GLY 3 HA2 GLY 3 0.748 4.573 -3.707
11 HA3 GLY 3 HA3 GLY 3 2.475 4.788 -4.095
12 H CYS 4 H CYS 4 3.068 2.865 -3.050
13 HA CYS 4 HA CYS 4 3.450 3.035 -0.169
14 HB2 CYS 4 HB2 CYS 4 2.028 0.709 -1.478
15 HB3 CYS 4 HB3 CYS 4 2.820 0.690 0.117
16 H ASP 5 H ASP 5 5.457 2.899 -0.234
17 HA ASP 5 HA ASP 5 7.056 1.452 -2.176
18 HB2 ASP 5 HB2 ASP 5 7.939 3.094 0.225
19 HB3 ASP 5 HB3 ASP 5 8.858 2.779 -1.245
20 H ASP 6 H ASP 6 9.051 0.404 -1.136
21 HA ASP 6 HA ASP 6 8.370 -1.847 0.183
22 HB2 ASP 6 HB2 ASP 6 11.094 -0.464 0.245
23 HB3 ASP 6 HB3 ASP 6 10.812 -2.189 0.473
24 H LYS 7 H LYS 7 9.635 1.125 1.599
25 HA LYS 7 HA LYS 7 9.856 0.227 4.306
26 HB2 LYS 7 HB2 LYS 7 10.140 2.586 4.793
27 HB3 LYS 7 HB3 LYS 7 11.076 2.097 3.373
28 HG2 LYS 7 HG2 LYS 7 9.172 3.104 1.972
29 HG3 LYS 7 HG3 LYS 7 8.538 3.763 3.478
30 HD2 LYS 7 HD2 LYS 7 9.735 5.499 2.481
31 HD3 LYS 7 HD3 LYS 7 10.814 4.929 3.767
32 HE2 LYS 7 HE2 LYS 7 12.084 3.630 2.060
33 HE3 LYS 7 HE3 LYS 7 10.975 4.163 0.798
34 HZ1 LYS 7 HZ1 LYS 7 11.797 6.410 1.078
35 HZ2 LYS 7 HZ2 LYS 7 13.062 5.366 0.871
36 HZ3 LYS 7 HZ3 LYS 7 12.783 5.949 2.335
37 H CYS 8 H CYS 8 7.109 0.951 2.570
38 HA CYS 8 HA CYS 8 5.431 2.246 4.496
39 HB2 CYS 8 HB2 CYS 8 4.880 2.152 2.113
40 HB3 CYS 8 HB3 CYS 8 4.605 0.394 2.257
41 H GLY 9 H GLY 9 6.036 -1.296 4.137
42 HA2 GLY 9 HA2 GLY 9 5.487 -2.919 5.754
43 HA3 GLY 9 HA3 GLY 9 4.554 -1.717 6.675
44 H CYS 10 H CYS 10 4.587 -2.863 3.312
45 HA CYS 10 HA CYS 10 1.797 -3.736 3.261
46 HB2 CYS 10 HB2 CYS 10 3.100 -1.829 1.215
47 HB3 CYS 10 HB3 CYS 10 1.673 -2.815 0.967
48 H ALA 11 H ALA 11 1.646 -4.976 0.929
49 HA ALA 11 HA ALA 11 3.893 -6.795 0.753
50 HB1 ALA 11 HB1 ALA 11 1.606 -6.235 -1.194
51 HB2 ALA 11 HB2 ALA 11 2.749 -7.569 -1.339
52 HB3 ALA 11 HB3 ALA 11 1.641 -7.522 0.037
53 H VAL 12 H VAL 12 5.170 -6.987 -1.352
54 HA VAL 12 HA VAL 12 5.681 -4.392 -2.691
55 HB VAL 12 HB VAL 12 7.780 -6.214 -1.461
56 HG11 VAL 12 HG11 VAL 12 9.374 -4.496 -2.183
57 HG12 VAL 12 HG12 VAL 12 8.540 -5.182 -3.585
58 HG13 VAL 12 HG13 VAL 12 8.080 -3.573 -2.974
59 HG21 VAL 12 HG21 VAL 12 8.332 -4.209 -0.075
60 HG22 VAL 12 HG22 VAL 12 6.878 -3.393 -0.709
61 HG23 VAL 12 HG23 VAL 12 6.740 -4.862 0.292
62 HA PRO 13 HA PRO 13 5.411 -3.810 -4.744
63 HB2 PRO 13 HB2 PRO 13 3.631 -4.049 -6.810
64 HB3 PRO 13 HB3 PRO 13 5.406 -4.123 -7.013
65 HG2 PRO 13 HG2 PRO 13 3.431 -6.414 -6.850
66 HG3 PRO 13 HG3 PRO 13 4.783 -6.191 -7.996
67 HD2 PRO 13 HD2 PRO 13 4.959 -7.744 -5.741
68 HD3 PRO 13 HD3 PRO 13 6.361 -6.867 -6.413
69 H CYS 14 H CYS 14 3.600 -2.591 -3.978
70 HA CYS 14 HA CYS 14 1.770 -4.155 -2.335
71 HB2 CYS 14 HB2 CYS 14 2.659 -1.997 -1.559
72 HB3 CYS 14 HB3 CYS 14 1.794 -1.177 -2.851
73 HA PRO 15 HA PRO 15 -1.022 -4.597 -5.806
74 HB2 PRO 15 HB2 PRO 15 -3.262 -5.597 -4.539
75 HB3 PRO 15 HB3 PRO 15 -1.799 -6.550 -4.906
76 HG2 PRO 15 HG2 PRO 15 -2.511 -5.174 -2.301
77 HG3 PRO 15 HG3 PRO 15 -1.928 -6.853 -2.544
78 HD2 PRO 15 HD2 PRO 15 -0.219 -4.899 -1.840
79 HD3 PRO 15 HD3 PRO 15 0.265 -6.124 -3.059
80 H GLY 16 H GLY 16 -1.788 -2.542 -3.060
81 HA2 GLY 16 HA2 GLY 16 -3.033 -0.578 -2.994
82 HA3 GLY 16 HA3 GLY 16 -3.036 -0.612 -4.751
83 H GLY 17 H GLY 17 -4.369 -3.459 -3.368
84 HA2 GLY 17 HA2 GLY 17 -7.190 -2.582 -3.603
85 HA3 GLY 17 HA3 GLY 17 -6.567 -4.078 -4.338
86 H THR 18 H THR 18 -7.862 -5.426 -3.016
87 HA THR 18 HA THR 18 -8.576 -5.496 -0.488
88 HB THR 18 HB THR 18 -8.432 -7.997 -0.666
89 HG1 THR 18 HG1 THR 18 -7.712 -8.834 -2.644
90 HG21 THR 18 HG21 THR 18 -9.405 -6.686 -3.250
91 HG22 THR 18 HG22 THR 18 -10.281 -6.659 -1.711
92 HG23 THR 18 HG23 THR 18 -9.965 -8.202 -2.511
93 H GLY 19 H GLY 19 -5.321 -6.723 -1.376
94 HA2 GLY 19 HA2 GLY 19 -4.635 -7.438 1.313
95 HA3 GLY 19 HA3 GLY 19 -3.534 -7.289 -0.066
96 H CYS 20 H CYS 20 -4.692 -4.269 -0.151
97 HA CYS 20 HA CYS 20 -2.409 -3.287 1.342
98 HB2 CYS 20 HB2 CYS 20 -3.120 -2.233 -0.807
99 HB3 CYS 20 HB3 CYS 20 -4.530 -1.610 0.065
100 H ARG 21 H ARG 21 -2.626 -3.552 3.510
101 HA ARG 21 HA ARG 21 -5.062 -3.266 4.935
102 HB2 ARG 21 HB2 ARG 21 -2.226 -2.846 5.941
103 HB3 ARG 21 HB3 ARG 21 -3.651 -2.919 6.987
104 HG2 ARG 21 HG2 ARG 21 -4.173 -5.192 6.264
105 HG3 ARG 21 HG3 ARG 21 -2.904 -5.146 5.042
106 HD2 ARG 21 HD2 ARG 21 -2.129 -6.470 6.845
107 HD3 ARG 21 HD3 ARG 21 -1.175 -4.993 6.790
108 HE ARG 21 HE ARG 21 -2.482 -4.133 8.674
109 HH11 ARG 21 HH11 ARG 21 -2.529 -7.701 8.269
110 HH12 ARG 21 HH12 ARG 21 -2.446 -7.977 9.976
111 HH21 ARG 21 HH21 ARG 21 -2.553 -4.593 10.928
112 HH22 ARG 21 HH22 ARG 21 -2.615 -6.228 11.465
113 H CYS 22 H CYS 22 -2.944 -0.741 3.903
114 HA CYS 22 HA CYS 22 -4.605 1.438 5.122
115 HB2 CYS 22 HB2 CYS 22 -2.614 2.850 4.292
116 HB3 CYS 22 HB3 CYS 22 -2.289 1.805 5.653
117 H THR 23 H THR 23 -6.314 0.784 3.340
118 HA THR 23 HA THR 23 -5.375 1.625 0.659
119 HB THR 23 HB THR 23 -6.280 -0.615 0.964
120 HG1 THR 23 HG1 THR 23 -7.844 0.873 -0.842
121 HG21 THR 23 HG21 THR 23 -8.628 -1.038 1.128
122 HG22 THR 23 HG22 THR 23 -8.993 0.697 1.303
123 HG23 THR 23 HG23 THR 23 -8.098 -0.176 2.569
124 H SER 24 H SER 24 -7.176 3.049 3.237
125 HA SER 24 HA SER 24 -9.201 4.378 2.242
126 HB2 SER 24 HB2 SER 24 -7.014 5.806 3.786
127 HB3 SER 24 HB3 SER 24 -8.752 6.119 3.812
128 HG SER 24 HG SER 24 -8.297 5.005 5.567
129 H ALA 25 H ALA 25 -5.877 5.625 1.660
130 HA ALA 25 HA ALA 25 -6.651 7.885 0.188
131 HB1 ALA 25 HB1 ALA 25 -4.055 6.291 0.070
132 HB2 ALA 25 HB2 ALA 25 -4.297 7.936 -0.554
133 HB3 ALA 25 HB3 ALA 25 -4.428 7.624 1.190
134 H ARG 26 H ARG 26 -8.263 7.360 -1.363
135 HA ARG 26 HA ARG 26 -7.299 6.271 -3.912
136 HB2 ARG 26 HB2 ARG 26 -8.382 4.323 -2.850
137 HB3 ARG 26 HB3 ARG 26 -9.751 5.323 -2.378
138 HG2 ARG 26 HG2 ARG 26 -10.317 3.909 -4.293
139 HG3 ARG 26 HG3 ARG 26 -10.460 5.631 -4.666
140 HD2 ARG 26 HD2 ARG 26 -9.463 4.418 -6.544
141 HD3 ARG 26 HD3 ARG 26 -8.366 5.619 -5.850
142 HE ARG 26 HE ARG 26 -8.170 2.820 -4.952
143 HH11 ARG 26 HH11 ARG 26 -6.748 5.396 -6.971
144 HH12 ARG 26 HH12 ARG 26 -5.133 4.782 -6.932
145 HH21 ARG 26 HH21 ARG 26 -6.084 1.918 -4.977
146 HH22 ARG 26 HH22 ARG 26 -4.739 2.695 -5.758
Start of MODEL 32
1 H1 GLY 1 H GLY 1 7.830 1.263 -7.240
2 HA2 GLY 1 HA2 GLY 1 7.418 2.206 -5.085
3 HA3 GLY 1 HA3 GLY 1 7.705 3.549 -6.201
4 H SER 2 H SER 2 5.768 4.637 -7.146
5 HA SER 2 HA SER 2 3.957 5.873 -6.814
6 HB2 SER 2 HB2 SER 2 2.615 3.205 -6.320
7 HB3 SER 2 HB3 SER 2 1.867 4.703 -6.901
8 HG SER 2 HG SER 2 3.543 2.906 -8.198
9 H GLY 3 H GLY 3 5.265 6.499 -4.815
10 HA2 GLY 3 HA2 GLY 3 5.175 7.538 -2.826
11 HA3 GLY 3 HA3 GLY 3 3.441 7.254 -2.791
12 H CYS 4 H CYS 4 5.560 4.394 -2.843
13 HA CYS 4 HA CYS 4 5.595 4.219 0.092
14 HB2 CYS 4 HB2 CYS 4 4.034 2.333 -1.695
15 HB3 CYS 4 HB3 CYS 4 4.670 1.815 -0.143
16 H ASP 5 H ASP 5 7.153 2.866 0.848
17 HA ASP 5 HA ASP 5 8.814 1.317 -1.027
18 HB2 ASP 5 HB2 ASP 5 9.779 2.941 1.365
19 HB3 ASP 5 HB3 ASP 5 10.762 2.118 0.151
20 H ASP 6 H ASP 6 10.164 -0.238 0.423
21 HA ASP 6 HA ASP 6 8.466 -1.951 1.864
22 HB2 ASP 6 HB2 ASP 6 10.564 -2.647 0.877
23 HB3 ASP 6 HB3 ASP 6 11.480 -1.582 1.961
24 H LYS 7 H LYS 7 10.681 0.583 3.104
25 HA LYS 7 HA LYS 7 10.351 0.019 5.837
26 HB2 LYS 7 HB2 LYS 7 10.833 2.777 4.682
27 HB3 LYS 7 HB3 LYS 7 11.243 2.220 6.303
28 HG2 LYS 7 HG2 LYS 7 12.466 1.217 3.701
29 HG3 LYS 7 HG3 LYS 7 13.200 2.389 4.766
30 HD2 LYS 7 HD2 LYS 7 12.600 -0.382 5.859
31 HD3 LYS 7 HD3 LYS 7 13.915 -0.135 4.734
32 HE2 LYS 7 HE2 LYS 7 15.003 0.062 6.731
33 HE3 LYS 7 HE3 LYS 7 14.791 1.734 6.244
34 HZ1 LYS 7 HZ1 LYS 7 14.326 1.359 8.563
35 HZ2 LYS 7 HZ2 LYS 7 13.148 0.262 8.226
36 HZ3 LYS 7 HZ3 LYS 7 12.946 1.850 7.854
37 H CYS 8 H CYS 8 7.987 1.270 3.682
38 HA CYS 8 HA CYS 8 6.423 2.761 5.647
39 HB2 CYS 8 HB2 CYS 8 6.331 3.113 3.140
40 HB3 CYS 8 HB3 CYS 8 5.602 1.520 2.994
41 H GLY 9 H GLY 9 6.731 -0.691 4.735
42 HA2 GLY 9 HA2 GLY 9 5.770 -2.474 5.797
43 HA3 GLY 9 HA3 GLY 9 4.700 -1.401 6.727
44 H CYS 10 H CYS 10 5.383 -2.089 3.257
45 HA CYS 10 HA CYS 10 2.563 -2.545 2.703
46 HB2 CYS 10 HB2 CYS 10 4.307 -0.684 1.018
47 HB3 CYS 10 HB3 CYS 10 2.659 -1.233 0.672
48 H ALA 11 H ALA 11 2.547 -3.438 0.199
49 HA ALA 11 HA ALA 11 4.343 -5.671 0.159
50 HB1 ALA 11 HB1 ALA 11 2.146 -5.811 -0.889
51 HB2 ALA 11 HB2 ALA 11 2.533 -4.473 -1.991
52 HB3 ALA 11 HB3 ALA 11 3.387 -6.012 -2.131
53 H VAL 12 H VAL 12 5.837 -6.074 -1.853
54 HA VAL 12 HA VAL 12 7.243 -3.586 -2.638
55 HB VAL 12 HB VAL 12 8.498 -6.118 -1.554
56 HG11 VAL 12 HG11 VAL 12 10.647 -4.947 -1.880
57 HG12 VAL 12 HG12 VAL 12 9.851 -5.180 -3.430
58 HG13 VAL 12 HG13 VAL 12 9.811 -3.584 -2.651
59 HG21 VAL 12 HG21 VAL 12 9.419 -4.560 0.156
60 HG22 VAL 12 HG22 VAL 12 8.477 -3.222 -0.539
61 HG23 VAL 12 HG23 VAL 12 7.663 -4.598 0.226
62 HA PRO 13 HA PRO 13 7.326 -2.532 -4.378
63 HB2 PRO 13 HB2 PRO 13 6.185 -1.756 -6.682
64 HB3 PRO 13 HB3 PRO 13 7.840 -2.441 -6.656
65 HG2 PRO 13 HG2 PRO 13 5.267 -3.875 -7.313
66 HG3 PRO 13 HG3 PRO 13 6.806 -3.880 -8.233
67 HD2 PRO 13 HD2 PRO 13 6.117 -5.844 -6.468
68 HD3 PRO 13 HD3 PRO 13 7.797 -5.355 -6.743
69 H CYS 14 H CYS 14 5.535 -1.093 -3.723
70 HA CYS 14 HA CYS 14 3.148 -2.600 -2.959
71 HB2 CYS 14 HB2 CYS 14 3.873 -1.059 -1.425
72 HB3 CYS 14 HB3 CYS 14 3.957 0.276 -2.591
73 HA PRO 15 HA PRO 15 1.398 -1.869 -7.019
74 HB2 PRO 15 HB2 PRO 15 -1.217 -2.730 -6.549
75 HB3 PRO 15 HB3 PRO 15 0.191 -3.783 -6.917
76 HG2 PRO 15 HG2 PRO 15 -0.980 -3.071 -4.224
77 HG3 PRO 15 HG3 PRO 15 -0.432 -4.678 -4.809
78 HD2 PRO 15 HD2 PRO 15 1.096 -3.174 -3.197
79 HD3 PRO 15 HD3 PRO 15 1.816 -4.136 -4.523
80 H GLY 16 H GLY 16 -0.488 -0.820 -4.158
81 HA2 GLY 16 HA2 GLY 16 -0.727 1.600 -3.786
82 HA3 GLY 16 HA3 GLY 16 -0.960 1.815 -5.512
83 H GLY 17 H GLY 17 -2.904 -0.410 -5.854
84 HA2 GLY 17 HA2 GLY 17 -5.301 1.011 -4.960
85 HA3 GLY 17 HA3 GLY 17 -5.199 -0.391 -6.024
86 H THR 18 H THR 18 -6.576 -1.894 -5.174
87 HA THR 18 HA THR 18 -7.200 -2.195 -2.514
88 HB THR 18 HB THR 18 -7.191 -4.643 -4.250
89 HG1 THR 18 HG1 THR 18 -9.056 -3.767 -5.319
90 HG21 THR 18 HG21 THR 18 -9.420 -4.879 -3.331
91 HG22 THR 18 HG22 THR 18 -9.427 -3.196 -2.755
92 HG23 THR 18 HG23 THR 18 -8.364 -4.401 -2.012
93 H GLY 19 H GLY 19 -4.205 -2.948 -3.919
94 HA2 GLY 19 HA2 GLY 19 -3.478 -5.062 -1.985
95 HA3 GLY 19 HA3 GLY 19 -2.506 -4.472 -3.330
96 H CYS 20 H CYS 20 -3.758 -1.725 -1.714
97 HA CYS 20 HA CYS 20 -1.370 -1.561 0.065
98 HB2 CYS 20 HB2 CYS 20 -1.110 -0.081 -1.940
99 HB3 CYS 20 HB3 CYS 20 -2.605 0.738 -1.450
100 H ARG 21 H ARG 21 -2.163 -1.921 1.994
101 HA ARG 21 HA ARG 21 -4.776 -1.210 2.872
102 HB2 ARG 21 HB2 ARG 21 -2.272 -1.768 4.487
103 HB3 ARG 21 HB3 ARG 21 -3.900 -1.751 5.162
104 HG2 ARG 21 HG2 ARG 21 -3.003 -3.656 2.950
105 HG3 ARG 21 HG3 ARG 21 -2.956 -4.047 4.665
106 HD2 ARG 21 HD2 ARG 21 -5.331 -3.921 4.891
107 HD3 ARG 21 HD3 ARG 21 -5.518 -3.149 3.307
108 HE ARG 21 HE ARG 21 -4.239 -5.608 2.856
109 HH11 ARG 21 HH11 ARG 21 -7.433 -4.247 3.730
110 HH12 ARG 21 HH12 ARG 21 -8.309 -5.625 3.209
111 HH21 ARG 21 HH21 ARG 21 -5.451 -7.411 2.029
112 HH22 ARG 21 HH22 ARG 21 -7.176 -7.420 2.196
113 H CYS 22 H CYS 22 -2.259 0.977 2.367
114 HA CYS 22 HA CYS 22 -2.798 2.710 4.628
115 HB2 CYS 22 HB2 CYS 22 -1.726 3.726 2.031
116 HB3 CYS 22 HB3 CYS 22 -1.449 4.334 3.642
117 H THR 23 H THR 23 -4.718 2.057 1.801
118 HA THR 23 HA THR 23 -6.209 4.567 2.242
119 HB THR 23 HB THR 23 -4.757 4.702 0.256
120 HG1 THR 23 HG1 THR 23 -7.278 4.593 -0.865
121 HG21 THR 23 HG21 THR 23 -5.279 3.445 -1.809
122 HG22 THR 23 HG22 THR 23 -6.377 2.398 -0.894
123 HG23 THR 23 HG23 THR 23 -4.646 2.395 -0.533
124 H SER 24 H SER 24 -8.449 4.361 2.065
125 HA SER 24 HA SER 24 -9.435 1.729 2.780
126 HB2 SER 24 HB2 SER 24 -10.977 4.299 2.233
127 HB3 SER 24 HB3 SER 24 -11.526 2.884 3.156
128 HG SER 24 HG SER 24 -9.401 3.389 4.371
129 H ALA 25 H ALA 25 -10.962 0.513 1.709
130 HA ALA 25 HA ALA 25 -11.896 1.079 -0.998
131 HB1 ALA 25 HB1 ALA 25 -9.706 0.049 -1.505
132 HB2 ALA 25 HB2 ALA 25 -10.036 -1.279 -0.372
133 HB3 ALA 25 HB3 ALA 25 -11.013 -1.105 -1.843
134 H ARG 26 H ARG 26 -13.911 1.093 0.039
135 HA ARG 26 HA ARG 26 -14.607 -0.975 1.977
136 HB2 ARG 26 HB2 ARG 26 -15.341 1.511 1.969
137 HB3 ARG 26 HB3 ARG 26 -16.470 1.041 0.680
138 HG2 ARG 26 HG2 ARG 26 -17.612 -0.501 2.142
139 HG3 ARG 26 HG3 ARG 26 -16.365 -0.336 3.394
140 HD2 ARG 26 HD2 ARG 26 -16.895 2.049 3.643
141 HD3 ARG 26 HD3 ARG 26 -18.151 1.926 2.409
142 HE ARG 26 HE ARG 26 -19.071 0.077 4.068
143 HH11 ARG 26 HH11 ARG 26 -17.734 3.245 4.973
144 HH12 ARG 26 HH12 ARG 26 -18.392 3.172 6.581
145 HH21 ARG 26 HH21 ARG 26 -20.057 0.094 6.074
146 HH22 ARG 26 HH22 ARG 26 -19.901 1.432 7.164
Start of MODEL 33
1 H1 GLY 1 H GLY 1 -0.157 12.829 -5.687
2 HA2 GLY 1 HA2 GLY 1 1.754 11.260 -5.714
3 HA3 GLY 1 HA3 GLY 1 2.067 12.689 -4.720
4 H SER 2 H SER 2 1.077 9.324 -4.710
5 HA SER 2 HA SER 2 2.204 8.876 -2.066
6 HB2 SER 2 HB2 SER 2 -0.209 9.436 -1.638
7 HB3 SER 2 HB3 SER 2 -0.679 8.100 -2.710
8 HG SER 2 HG SER 2 0.165 8.089 -0.117
9 H GLY 3 H GLY 3 2.145 6.343 -1.794
10 HA2 GLY 3 HA2 GLY 3 1.681 4.542 -3.849
11 HA3 GLY 3 HA3 GLY 3 3.285 5.225 -4.189
12 H CYS 4 H CYS 4 4.680 3.583 -3.572
13 HA CYS 4 HA CYS 4 4.816 2.969 -0.750
14 HB2 CYS 4 HB2 CYS 4 4.281 0.778 -2.816
15 HB3 CYS 4 HB3 CYS 4 4.819 0.473 -1.163
16 H ASP 5 H ASP 5 6.427 1.591 -0.214
17 HA ASP 5 HA ASP 5 8.725 0.860 -1.659
18 HB2 ASP 5 HB2 ASP 5 10.222 2.149 -0.411
19 HB3 ASP 5 HB3 ASP 5 9.035 3.361 -0.910
20 H ASP 6 H ASP 6 10.013 -0.138 0.301
21 HA ASP 6 HA ASP 6 8.506 -2.192 1.487
22 HB2 ASP 6 HB2 ASP 6 11.283 -1.083 2.070
23 HB3 ASP 6 HB3 ASP 6 10.645 -2.565 2.772
24 H LYS 7 H LYS 7 10.052 0.684 2.992
25 HA LYS 7 HA LYS 7 9.389 0.156 5.663
26 HB2 LYS 7 HB2 LYS 7 9.720 2.888 4.394
27 HB3 LYS 7 HB3 LYS 7 9.938 2.492 6.079
28 HG2 LYS 7 HG2 LYS 7 11.714 1.333 3.857
29 HG3 LYS 7 HG3 LYS 7 12.063 2.828 4.722
30 HD2 LYS 7 HD2 LYS 7 12.160 1.685 6.843
31 HD3 LYS 7 HD3 LYS 7 11.628 0.171 6.125
32 HE2 LYS 7 HE2 LYS 7 13.996 0.107 6.623
33 HE3 LYS 7 HE3 LYS 7 13.714 -0.059 4.891
34 HZ1 LYS 7 HZ1 LYS 7 14.592 2.063 4.514
35 HZ2 LYS 7 HZ2 LYS 7 15.565 1.465 5.652
36 HZ3 LYS 7 HZ3 LYS 7 14.448 2.548 6.094
37 H CYS 8 H CYS 8 7.376 1.369 3.107
38 HA CYS 8 HA CYS 8 5.375 2.711 4.566
39 HB2 CYS 8 HB2 CYS 8 5.694 2.564 2.044
40 HB3 CYS 8 HB3 CYS 8 4.972 0.961 2.111
41 H GLY 9 H GLY 9 6.227 -0.642 4.928
42 HA2 GLY 9 HA2 GLY 9 5.253 -2.271 6.212
43 HA3 GLY 9 HA3 GLY 9 3.947 -1.135 6.635
44 H CYS 10 H CYS 10 5.170 -2.143 3.452
45 HA CYS 10 HA CYS 10 2.547 -3.299 2.838
46 HB2 CYS 10 HB2 CYS 10 4.204 -1.501 1.002
47 HB3 CYS 10 HB3 CYS 10 2.781 -2.453 0.552
48 H ALA 11 H ALA 11 2.681 -4.818 0.915
49 HA ALA 11 HA ALA 11 4.729 -6.664 1.211
50 HB1 ALA 11 HB1 ALA 11 3.803 -7.704 -0.808
51 HB2 ALA 11 HB2 ALA 11 2.498 -7.144 0.252
52 HB3 ALA 11 HB3 ALA 11 2.923 -6.214 -1.204
53 H VAL 12 H VAL 12 6.419 -7.319 -0.377
54 HA VAL 12 HA VAL 12 7.508 -5.011 -1.916
55 HB VAL 12 HB VAL 12 8.995 -6.998 -0.181
56 HG11 VAL 12 HG11 VAL 12 10.335 -6.269 -2.146
57 HG12 VAL 12 HG12 VAL 12 10.022 -4.580 -1.719
58 HG13 VAL 12 HG13 VAL 12 10.970 -5.602 -0.636
59 HG21 VAL 12 HG21 VAL 12 8.379 -4.042 0.197
60 HG22 VAL 12 HG22 VAL 12 7.826 -5.383 1.225
61 HG23 VAL 12 HG23 VAL 12 9.534 -4.971 1.180
62 HA PRO 13 HA PRO 13 7.356 -4.528 -3.922
63 HB2 PRO 13 HB2 PRO 13 6.156 -4.715 -6.341
64 HB3 PRO 13 HB3 PRO 13 7.919 -4.960 -6.147
65 HG2 PRO 13 HG2 PRO 13 5.753 -7.080 -6.318
66 HG3 PRO 13 HG3 PRO 13 7.307 -6.992 -7.215
67 HD2 PRO 13 HD2 PRO 13 6.978 -8.479 -4.921
68 HD3 PRO 13 HD3 PRO 13 8.529 -7.698 -5.346
69 H CYS 14 H CYS 14 5.284 -3.296 -4.171
70 HA CYS 14 HA CYS 14 2.969 -4.807 -3.043
71 HB2 CYS 14 HB2 CYS 14 4.005 -2.806 -1.791
72 HB3 CYS 14 HB3 CYS 14 3.383 -1.807 -3.089
73 HA PRO 15 HA PRO 15 1.643 -4.036 -7.360
74 HB2 PRO 15 HB2 PRO 15 -0.857 -5.230 -7.257
75 HB3 PRO 15 HB3 PRO 15 0.697 -6.109 -7.483
76 HG2 PRO 15 HG2 PRO 15 -0.858 -5.611 -4.945
77 HG3 PRO 15 HG3 PRO 15 -0.165 -7.162 -5.546
78 HD2 PRO 15 HD2 PRO 15 1.127 -5.711 -3.682
79 HD3 PRO 15 HD3 PRO 15 2.043 -6.473 -5.028
80 H GLY 16 H GLY 16 0.211 -2.740 -4.504
81 HA2 GLY 16 HA2 GLY 16 -0.872 -0.687 -4.267
82 HA3 GLY 16 HA3 GLY 16 -0.870 -0.516 -6.011
83 H GLY 17 H GLY 17 -2.387 -3.174 -6.311
84 HA2 GLY 17 HA2 GLY 17 -5.076 -2.092 -5.846
85 HA3 GLY 17 HA3 GLY 17 -4.609 -3.518 -6.803
86 H THR 18 H THR 18 -5.695 -5.227 -5.920
87 HA THR 18 HA THR 18 -6.620 -5.536 -3.347
88 HB THR 18 HB THR 18 -6.558 -8.030 -3.967
89 HG1 THR 18 HG1 THR 18 -5.944 -8.500 -6.081
90 HG21 THR 18 HG21 THR 18 -8.466 -6.513 -4.493
91 HG22 THR 18 HG22 THR 18 -8.245 -7.774 -5.709
92 HG23 THR 18 HG23 THR 18 -7.708 -6.118 -6.050
93 H GLY 19 H GLY 19 -3.338 -6.136 -4.479
94 HA2 GLY 19 HA2 GLY 19 -2.507 -7.551 -2.079
95 HA3 GLY 19 HA3 GLY 19 -1.474 -7.038 -3.400
96 H CYS 20 H CYS 20 -3.396 -4.369 -2.314
97 HA CYS 20 HA CYS 20 -1.334 -3.519 -0.346
98 HB2 CYS 20 HB2 CYS 20 -1.109 -2.402 -2.639
99 HB3 CYS 20 HB3 CYS 20 -2.703 -1.707 -2.334
100 H ARG 21 H ARG 21 -2.192 -2.160 1.299
101 HA ARG 21 HA ARG 21 -5.173 -2.134 1.583
102 HB2 ARG 21 HB2 ARG 21 -4.888 -2.278 3.917
103 HB3 ARG 21 HB3 ARG 21 -4.051 -3.615 3.148
104 HG2 ARG 21 HG2 ARG 21 -1.996 -2.958 3.939
105 HG3 ARG 21 HG3 ARG 21 -2.320 -1.233 3.692
106 HD2 ARG 21 HD2 ARG 21 -3.697 -1.113 5.648
107 HD3 ARG 21 HD3 ARG 21 -3.583 -2.839 5.935
108 HE ARG 21 HE ARG 21 -1.540 -0.767 6.438
109 HH11 ARG 21 HH11 ARG 21 -2.145 -4.249 6.264
110 HH12 ARG 21 HH12 ARG 21 -1.287 -4.628 7.727
111 HH21 ARG 21 HH21 ARG 21 -0.139 -1.295 8.247
112 HH22 ARG 21 HH22 ARG 21 -0.045 -2.935 8.784
113 H CYS 22 H CYS 22 -2.819 -0.023 0.742
114 HA CYS 22 HA CYS 22 -3.327 2.098 2.623
115 HB2 CYS 22 HB2 CYS 22 -2.139 2.491 -0.110
116 HB3 CYS 22 HB3 CYS 22 -1.975 3.520 1.301
117 H THR 23 H THR 23 -5.169 1.126 -0.274
118 HA THR 23 HA THR 23 -6.445 3.808 -0.228
119 HB THR 23 HB THR 23 -5.525 3.003 -2.367
120 HG1 THR 23 HG1 THR 23 -8.203 3.692 -1.988
121 HG21 THR 23 HG21 THR 23 -6.902 1.473 -3.758
122 HG22 THR 23 HG22 THR 23 -7.755 0.942 -2.296
123 HG23 THR 23 HG23 THR 23 -6.005 0.663 -2.489
124 H SER 24 H SER 24 -6.778 1.000 1.449
125 HA SER 24 HA SER 24 -9.593 0.481 1.214
126 HB2 SER 24 HB2 SER 24 -7.565 -0.368 3.314
127 HB3 SER 24 HB3 SER 24 -9.114 -1.150 2.943
128 HG SER 24 HG SER 24 -8.315 -1.982 1.153
129 H ALA 25 H ALA 25 -9.977 2.972 1.529
130 HA ALA 25 HA ALA 25 -11.147 3.402 4.119
131 HB1 ALA 25 HB1 ALA 25 -9.945 5.492 4.633
132 HB2 ALA 25 HB2 ALA 25 -8.795 4.147 4.601
133 HB3 ALA 25 HB3 ALA 25 -8.891 5.273 3.226
134 H ARG 26 H ARG 26 -12.254 5.678 3.994
135 HA ARG 26 HA ARG 26 -12.916 6.456 1.200
136 HB2 ARG 26 HB2 ARG 26 -14.653 4.900 2.121
137 HB3 ARG 26 HB3 ARG 26 -14.891 6.016 3.471
138 HG2 ARG 26 HG2 ARG 26 -15.473 7.795 1.669
139 HG3 ARG 26 HG3 ARG 26 -15.566 6.422 0.542
140 HD2 ARG 26 HD2 ARG 26 -17.239 5.344 1.940
141 HD3 ARG 26 HD3 ARG 26 -17.146 6.639 3.133
142 HE ARG 26 HE ARG 26 -18.534 6.592 0.582
143 HH11 ARG 26 HH11 ARG 26 -17.164 8.772 3.041
144 HH12 ARG 26 HH12 ARG 26 -18.337 10.014 2.793
145 HH21 ARG 26 HH21 ARG 26 -20.034 8.271 0.210
146 HH22 ARG 26 HH22 ARG 26 -19.905 9.801 1.007
Start of MODEL 34
1 H1 GLY 1 H GLY 1 9.336 11.439 -4.780
2 HA2 GLY 1 HA2 GLY 1 9.735 9.095 -4.221
3 HA3 GLY 1 HA3 GLY 1 10.111 9.626 -2.563
4 H SER 2 H SER 2 7.567 8.597 -4.675
5 HA SER 2 HA SER 2 5.638 9.074 -2.526
6 HB2 SER 2 HB2 SER 2 5.157 10.146 -5.325
7 HB3 SER 2 HB3 SER 2 3.973 10.079 -4.009
8 HG SER 2 HG SER 2 5.998 11.218 -2.897
9 H GLY 3 H GLY 3 5.159 6.989 -2.133
10 HA2 GLY 3 HA2 GLY 3 3.614 5.455 -3.851
11 HA3 GLY 3 HA3 GLY 3 5.290 4.956 -4.155
12 H CYS 4 H CYS 4 5.398 2.992 -3.184
13 HA CYS 4 HA CYS 4 5.204 2.857 -0.280
14 HB2 CYS 4 HB2 CYS 4 3.505 1.183 -2.139
15 HB3 CYS 4 HB3 CYS 4 3.931 0.756 -0.474
16 H ASP 5 H ASP 5 7.065 2.095 0.043
17 HA ASP 5 HA ASP 5 8.100 -0.266 -1.459
18 HB2 ASP 5 HB2 ASP 5 9.574 1.725 0.312
19 HB3 ASP 5 HB3 ASP 5 10.289 0.554 -0.796
20 H ASP 6 H ASP 6 9.839 -1.211 0.145
21 HA ASP 6 HA ASP 6 8.587 -2.858 2.030
22 HB2 ASP 6 HB2 ASP 6 11.120 -3.101 2.769
23 HB3 ASP 6 HB3 ASP 6 10.589 -3.696 1.200
24 H LYS 7 H LYS 7 10.621 0.101 2.387
25 HA LYS 7 HA LYS 7 10.451 0.299 5.154
26 HB2 LYS 7 HB2 LYS 7 11.446 2.362 4.952
27 HB3 LYS 7 HB3 LYS 7 11.961 1.502 3.530
28 HG2 LYS 7 HG2 LYS 7 11.476 3.453 2.481
29 HG3 LYS 7 HG3 LYS 7 9.869 2.789 2.431
30 HD2 LYS 7 HD2 LYS 7 9.465 4.917 3.186
31 HD3 LYS 7 HD3 LYS 7 9.519 4.069 4.713
32 HE2 LYS 7 HE2 LYS 7 11.716 5.774 3.452
33 HE3 LYS 7 HE3 LYS 7 10.670 6.244 4.798
34 HZ1 LYS 7 HZ1 LYS 7 11.739 4.408 6.098
35 HZ2 LYS 7 HZ2 LYS 7 12.807 5.570 5.612
36 HZ3 LYS 7 HZ3 LYS 7 12.766 4.177 4.820
37 H CYS 8 H CYS 8 8.019 1.125 2.799
38 HA CYS 8 HA CYS 8 6.420 2.814 4.607
39 HB2 CYS 8 HB2 CYS 8 6.187 3.032 2.159
40 HB3 CYS 8 HB3 CYS 8 5.627 1.357 2.054
41 H GLY 9 H GLY 9 6.960 -0.640 4.275
42 HA2 GLY 9 HA2 GLY 9 6.291 -2.225 5.761
43 HA3 GLY 9 HA3 GLY 9 4.935 -1.236 6.301
44 H CYS 10 H CYS 10 5.065 -1.125 2.940
45 HA CYS 10 HA CYS 10 2.744 -2.871 2.796
46 HB2 CYS 10 HB2 CYS 10 4.085 -1.383 0.496
47 HB3 CYS 10 HB3 CYS 10 2.542 -2.263 0.492
48 H ALA 11 H ALA 11 2.643 -4.345 0.638
49 HA ALA 11 HA ALA 11 4.574 -6.423 0.899
50 HB1 ALA 11 HB1 ALA 11 3.461 -7.364 -1.075
51 HB2 ALA 11 HB2 ALA 11 2.253 -6.796 0.085
52 HB3 ALA 11 HB3 ALA 11 2.638 -5.830 -1.364
53 H VAL 12 H VAL 12 5.992 -7.113 -0.991
54 HA VAL 12 HA VAL 12 7.162 -4.758 -2.391
55 HB VAL 12 HB VAL 12 8.570 -7.049 -0.977
56 HG11 VAL 12 HG11 VAL 12 9.643 -4.850 -2.783
57 HG12 VAL 12 HG12 VAL 12 10.653 -5.642 -1.528
58 HG13 VAL 12 HG13 VAL 12 9.937 -6.591 -2.822
59 HG21 VAL 12 HG21 VAL 12 8.540 -4.071 -0.328
60 HG22 VAL 12 HG22 VAL 12 7.719 -5.344 0.597
61 HG23 VAL 12 HG23 VAL 12 9.461 -5.370 0.495
62 HA PRO 13 HA PRO 13 7.060 -4.054 -4.334
63 HB2 PRO 13 HB2 PRO 13 5.755 -3.811 -6.685
64 HB3 PRO 13 HB3 PRO 13 7.464 -4.355 -6.600
65 HG2 PRO 13 HG2 PRO 13 4.987 -6.056 -6.861
66 HG3 PRO 13 HG3 PRO 13 6.508 -6.161 -7.813
67 HD2 PRO 13 HD2 PRO 13 5.931 -7.757 -5.637
68 HD3 PRO 13 HD3 PRO 13 7.594 -7.284 -6.071
69 H CYS 14 H CYS 14 5.147 -2.509 -4.303
70 HA CYS 14 HA CYS 14 3.037 -3.687 -2.710
71 HB2 CYS 14 HB2 CYS 14 4.056 -1.498 -2.242
72 HB3 CYS 14 HB3 CYS 14 3.297 -0.828 -3.698
73 HA PRO 15 HA PRO 15 0.448 -4.600 -6.284
74 HB2 PRO 15 HB2 PRO 15 -1.907 -5.283 -4.977
75 HB3 PRO 15 HB3 PRO 15 -0.482 -6.342 -5.197
76 HG2 PRO 15 HG2 PRO 15 -1.192 -4.616 -2.804
77 HG3 PRO 15 HG3 PRO 15 -0.651 -6.326 -2.823
78 HD2 PRO 15 HD2 PRO 15 1.086 -4.363 -2.306
79 HD3 PRO 15 HD3 PRO 15 1.571 -5.729 -3.367
80 H GLY 16 H GLY 16 -0.174 -1.896 -4.257
81 HA2 GLY 16 HA2 GLY 16 -1.140 0.113 -4.777
82 HA3 GLY 16 HA3 GLY 16 -1.460 -0.495 -6.382
83 H GLY 17 H GLY 17 -3.369 -2.305 -6.257
84 HA2 GLY 17 HA2 GLY 17 -5.764 -0.879 -5.743
85 HA3 GLY 17 HA3 GLY 17 -5.615 -2.559 -6.239
86 H THR 18 H THR 18 -7.236 -3.454 -4.935
87 HA THR 18 HA THR 18 -7.938 -2.806 -2.372
88 HB THR 18 HB THR 18 -8.608 -5.376 -2.339
89 HG1 THR 18 HG1 THR 18 -7.431 -6.182 -4.075
90 HG21 THR 18 HG21 THR 18 -10.208 -3.553 -2.706
91 HG22 THR 18 HG22 THR 18 -10.516 -4.874 -3.841
92 HG23 THR 18 HG23 THR 18 -9.683 -3.398 -4.395
93 H GLY 19 H GLY 19 -5.223 -4.870 -3.324
94 HA2 GLY 19 HA2 GLY 19 -4.662 -5.884 -0.725
95 HA3 GLY 19 HA3 GLY 19 -3.539 -5.816 -2.092
96 H CYS 20 H CYS 20 -4.275 -2.564 -1.784
97 HA CYS 20 HA CYS 20 -1.918 -2.250 -0.138
98 HB2 CYS 20 HB2 CYS 20 -2.023 -0.968 -2.255
99 HB3 CYS 20 HB3 CYS 20 -3.365 -0.048 -1.579
100 H ARG 21 H ARG 21 -2.267 -2.307 2.013
101 HA ARG 21 HA ARG 21 -4.724 -1.197 3.196
102 HB2 ARG 21 HB2 ARG 21 -2.383 -2.669 4.470
103 HB3 ARG 21 HB3 ARG 21 -3.727 -1.968 5.353
104 HG2 ARG 21 HG2 ARG 21 -4.303 -4.189 5.218
105 HG3 ARG 21 HG3 ARG 21 -5.303 -3.426 3.979
106 HD2 ARG 21 HD2 ARG 21 -3.772 -4.234 2.229
107 HD3 ARG 21 HD3 ARG 21 -2.647 -4.840 3.456
108 HE ARG 21 HE ARG 21 -3.952 -6.666 3.837
109 HH11 ARG 21 HH11 ARG 21 -5.879 -4.437 1.810
110 HH12 ARG 21 HH12 ARG 21 -7.034 -5.627 1.382
111 HH21 ARG 21 HH21 ARG 21 -5.354 -8.299 3.042
112 HH22 ARG 21 HH22 ARG 21 -6.594 -7.914 1.905
113 H CYS 22 H CYS 22 -4.046 0.774 2.211
114 HA CYS 22 HA CYS 22 -2.729 2.573 4.197
115 HB2 CYS 22 HB2 CYS 22 -1.969 2.633 1.292
116 HB3 CYS 22 HB3 CYS 22 -1.534 3.866 2.462
117 H THR 23 H THR 23 -4.308 2.502 0.887
118 HA THR 23 HA THR 23 -5.278 5.163 1.224
119 HB THR 23 HB THR 23 -4.696 3.894 -0.932
120 HG1 THR 23 HG1 THR 23 -5.819 5.319 -1.963
121 HG21 THR 23 HG21 THR 23 -7.537 2.842 -0.618
122 HG22 THR 23 HG22 THR 23 -6.054 1.865 -0.610
123 HG23 THR 23 HG23 THR 23 -6.540 2.737 -2.072
124 H SER 24 H SER 24 -7.563 5.792 1.346
125 HA SER 24 HA SER 24 -8.890 4.367 3.439
126 HB2 SER 24 HB2 SER 24 -8.969 6.906 2.893
127 HB3 SER 24 HB3 SER 24 -10.254 6.472 1.755
128 HG SER 24 HG SER 24 -11.008 6.991 3.859
129 H ALA 25 H ALA 25 -9.668 2.435 3.043
130 HA ALA 25 HA ALA 25 -11.561 1.939 0.814
131 HB1 ALA 25 HB1 ALA 25 -10.709 -0.387 0.771
132 HB2 ALA 25 HB2 ALA 25 -9.414 0.765 0.358
133 HB3 ALA 25 HB3 ALA 25 -9.479 0.026 1.967
134 H ARG 26 H ARG 26 -12.916 -0.182 1.675
135 HA ARG 26 HA ARG 26 -13.198 -0.438 4.477
136 HB2 ARG 26 HB2 ARG 26 -15.432 0.528 4.720
137 HB3 ARG 26 HB3 ARG 26 -14.257 1.761 4.384
138 HG2 ARG 26 HG2 ARG 26 -14.970 1.908 2.026
139 HG3 ARG 26 HG3 ARG 26 -16.092 0.562 2.261
140 HD2 ARG 26 HD2 ARG 26 -17.303 1.916 4.005
141 HD3 ARG 26 HD3 ARG 26 -16.190 3.255 3.684
142 HE ARG 26 HE ARG 26 -17.318 3.802 1.822
143 HH11 ARG 26 HH11 ARG 26 -18.367 0.548 2.815
144 HH12 ARG 26 HH12 ARG 26 -19.598 0.375 1.627
145 HH21 ARG 26 HH21 ARG 26 -18.869 3.563 0.070
146 HH22 ARG 26 HH22 ARG 26 -19.877 2.149 0.029
Start of MODEL 35
1 H1 GLY 1 H GLY 1 7.763 10.847 -7.003
2 HA2 GLY 1 HA2 GLY 1 5.632 8.914 -7.730
3 HA3 GLY 1 HA3 GLY 1 7.319 8.463 -7.370
4 H SER 2 H SER 2 4.318 8.383 -5.994
5 HA SER 2 HA SER 2 5.412 8.426 -3.294
6 HB2 SER 2 HB2 SER 2 3.685 10.073 -2.509
7 HB3 SER 2 HB3 SER 2 4.901 10.780 -3.584
8 HG SER 2 HG SER 2 2.235 10.651 -3.893
9 H GLY 3 H GLY 3 3.624 7.841 -1.724
10 HA2 GLY 3 HA2 GLY 3 1.365 6.965 -1.407
11 HA3 GLY 3 HA3 GLY 3 1.515 6.107 -2.941
12 H CYS 4 H CYS 4 4.220 5.057 -2.659
13 HA CYS 4 HA CYS 4 4.339 3.749 -0.099
14 HB2 CYS 4 HB2 CYS 4 3.797 1.984 -2.504
15 HB3 CYS 4 HB3 CYS 4 4.109 1.563 -0.822
16 H ASP 5 H ASP 5 5.782 2.107 0.033
17 HA ASP 5 HA ASP 5 7.887 1.292 -1.632
18 HB2 ASP 5 HB2 ASP 5 9.529 2.040 0.151
19 HB3 ASP 5 HB3 ASP 5 8.853 3.374 -0.775
20 H ASP 6 H ASP 6 9.120 0.137 0.537
21 HA ASP 6 HA ASP 6 7.319 -1.950 1.469
22 HB2 ASP 6 HB2 ASP 6 9.518 -2.849 2.363
23 HB3 ASP 6 HB3 ASP 6 9.452 -2.631 0.609
24 H LYS 7 H LYS 7 9.480 0.554 2.929
25 HA LYS 7 HA LYS 7 9.144 0.099 5.602
26 HB2 LYS 7 HB2 LYS 7 9.207 2.870 4.325
27 HB3 LYS 7 HB3 LYS 7 9.617 2.469 5.994
28 HG2 LYS 7 HG2 LYS 7 11.443 0.924 5.065
29 HG3 LYS 7 HG3 LYS 7 11.081 1.616 3.479
30 HD2 LYS 7 HD2 LYS 7 12.934 2.813 4.216
31 HD3 LYS 7 HD3 LYS 7 11.585 3.921 4.498
32 HE2 LYS 7 HE2 LYS 7 11.600 3.355 6.899
33 HE3 LYS 7 HE3 LYS 7 12.828 2.102 6.620
34 HZ1 LYS 7 HZ1 LYS 7 14.370 3.832 5.965
35 HZ2 LYS 7 HZ2 LYS 7 13.810 4.126 7.467
36 HZ3 LYS 7 HZ3 LYS 7 13.251 5.005 6.203
37 H CYS 8 H CYS 8 6.903 1.654 3.464
38 HA CYS 8 HA CYS 8 4.936 2.794 5.013
39 HB2 CYS 8 HB2 CYS 8 5.036 2.869 2.571
40 HB3 CYS 8 HB3 CYS 8 4.807 1.122 2.479
41 H GLY 9 H GLY 9 5.647 -0.687 4.833
42 HA2 GLY 9 HA2 GLY 9 4.790 -2.301 6.277
43 HA3 GLY 9 HA3 GLY 9 3.400 -1.262 6.651
44 H CYS 10 H CYS 10 4.283 -1.567 3.366
45 HA CYS 10 HA CYS 10 1.759 -3.022 2.775
46 HB2 CYS 10 HB2 CYS 10 3.732 -1.444 1.099
47 HB3 CYS 10 HB3 CYS 10 2.431 -2.434 0.413
48 H ALA 11 H ALA 11 1.906 -4.647 0.966
49 HA ALA 11 HA ALA 11 3.785 -6.684 1.513
50 HB1 ALA 11 HB1 ALA 11 1.539 -7.035 0.469
51 HB2 ALA 11 HB2 ALA 11 2.106 -6.198 -1.001
52 HB3 ALA 11 HB3 ALA 11 2.842 -7.733 -0.515
53 H VAL 12 H VAL 12 5.542 -7.459 -0.023
54 HA VAL 12 HA VAL 12 6.610 -5.268 -1.717
55 HB VAL 12 HB VAL 12 8.278 -6.957 0.151
56 HG11 VAL 12 HG11 VAL 12 9.475 -6.146 -1.835
57 HG12 VAL 12 HG12 VAL 12 8.892 -4.496 -1.554
58 HG13 VAL 12 HG13 VAL 12 9.996 -5.271 -0.395
59 HG21 VAL 12 HG21 VAL 12 8.572 -4.823 1.420
60 HG22 VAL 12 HG22 VAL 12 7.224 -4.121 0.491
61 HG23 VAL 12 HG23 VAL 12 6.962 -5.517 1.560
62 HA PRO 13 HA PRO 13 6.880 -4.967 -3.765
63 HB2 PRO 13 HB2 PRO 13 5.743 -5.341 -6.200
64 HB3 PRO 13 HB3 PRO 13 7.482 -5.645 -5.904
65 HG2 PRO 13 HG2 PRO 13 5.224 -7.672 -5.938
66 HG3 PRO 13 HG3 PRO 13 6.806 -7.747 -6.785
67 HD2 PRO 13 HD2 PRO 13 6.382 -8.979 -4.377
68 HD3 PRO 13 HD3 PRO 13 7.958 -8.234 -4.786
69 H CYS 14 H CYS 14 4.928 -3.606 -4.201
70 HA CYS 14 HA CYS 14 2.491 -4.773 -2.962
71 HB2 CYS 14 HB2 CYS 14 3.442 -2.847 -1.889
72 HB3 CYS 14 HB3 CYS 14 3.467 -1.966 -3.414
73 HA PRO 15 HA PRO 15 0.916 -4.717 -7.153
74 HB2 PRO 15 HB2 PRO 15 -1.826 -4.889 -6.601
75 HB3 PRO 15 HB3 PRO 15 -0.688 -6.268 -6.630
76 HG2 PRO 15 HG2 PRO 15 -1.685 -4.713 -4.243
77 HG3 PRO 15 HG3 PRO 15 -1.417 -6.484 -4.400
78 HD2 PRO 15 HD2 PRO 15 0.351 -4.918 -3.138
79 HD3 PRO 15 HD3 PRO 15 0.872 -6.299 -4.150
80 H GLY 16 H GLY 16 -0.445 -2.530 -4.713
81 HA2 GLY 16 HA2 GLY 16 -0.235 -0.100 -5.171
82 HA3 GLY 16 HA3 GLY 16 -0.771 -0.405 -6.826
83 H GLY 17 H GLY 17 -2.865 -1.804 -6.920
84 HA2 GLY 17 HA2 GLY 17 -4.932 -0.615 -5.148
85 HA3 GLY 17 HA3 GLY 17 -5.129 -1.127 -6.831
86 H THR 18 H THR 18 -4.503 -3.511 -7.245
87 HA THR 18 HA THR 18 -6.197 -5.298 -6.212
88 HB THR 18 HB THR 18 -3.547 -6.211 -7.333
89 HG1 THR 18 HG1 THR 18 -3.812 -5.363 -9.196
90 HG21 THR 18 HG21 THR 18 -4.950 -7.556 -8.790
91 HG22 THR 18 HG22 THR 18 -6.421 -6.774 -8.177
92 HG23 THR 18 HG23 THR 18 -5.446 -7.810 -7.110
93 H GLY 19 H GLY 19 -5.667 -4.747 -3.718
94 HA2 GLY 19 HA2 GLY 19 -5.418 -6.474 -1.973
95 HA3 GLY 19 HA3 GLY 19 -3.848 -6.879 -2.672
96 H CYS 20 H CYS 20 -3.957 -3.544 -2.944
97 HA CYS 20 HA CYS 20 -2.166 -3.314 -0.617
98 HB2 CYS 20 HB2 CYS 20 -1.738 -2.006 -2.693
99 HB3 CYS 20 HB3 CYS 20 -3.211 -1.100 -2.352
100 H ARG 21 H ARG 21 -2.530 -2.051 1.271
101 HA ARG 21 HA ARG 21 -5.459 -1.520 1.762
102 HB2 ARG 21 HB2 ARG 21 -3.383 -2.528 3.743
103 HB3 ARG 21 HB3 ARG 21 -5.044 -2.080 4.124
104 HG2 ARG 21 HG2 ARG 21 -4.241 -4.343 2.241
105 HG3 ARG 21 HG3 ARG 21 -4.726 -4.535 3.924
106 HD2 ARG 21 HD2 ARG 21 -6.978 -3.733 3.457
107 HD3 ARG 21 HD3 ARG 21 -6.533 -3.282 1.811
108 HE ARG 21 HE ARG 21 -6.757 -5.388 1.074
109 HH11 ARG 21 HH11 ARG 21 -7.125 -5.488 4.614
110 HH12 ARG 21 HH12 ARG 21 -7.423 -7.181 4.659
111 HH21 ARG 21 HH21 ARG 21 -7.231 -7.634 1.127
112 HH22 ARG 21 HH22 ARG 21 -7.647 -8.341 2.667
113 H CYS 22 H CYS 22 -4.524 0.421 0.496
114 HA CYS 22 HA CYS 22 -3.895 2.445 2.615
115 HB2 CYS 22 HB2 CYS 22 -2.526 2.412 -0.081
116 HB3 CYS 22 HB3 CYS 22 -2.325 3.601 1.200
117 H THR 23 H THR 23 -4.709 2.165 -0.916
118 HA THR 23 HA THR 23 -5.521 4.785 -1.315
119 HB THR 23 HB THR 23 -6.672 3.878 -3.297
120 HG1 THR 23 HG1 THR 23 -7.563 2.035 -2.895
121 HG21 THR 23 HG21 THR 23 -4.203 4.125 -3.352
122 HG22 THR 23 HG22 THR 23 -4.792 2.816 -4.388
123 HG23 THR 23 HG23 THR 23 -4.027 2.430 -2.838
124 H SER 24 H SER 24 -7.311 2.222 0.289
125 HA SER 24 HA SER 24 -9.885 3.565 0.090
126 HB2 SER 24 HB2 SER 24 -9.691 1.127 0.165
127 HB3 SER 24 HB3 SER 24 -8.867 1.206 1.721
128 HG SER 24 HG SER 24 -11.543 1.786 1.031
129 H ALA 25 H ALA 25 -9.463 5.628 0.845
130 HA ALA 25 HA ALA 25 -8.314 6.106 3.531
131 HB1 ALA 25 HB1 ALA 25 -9.246 7.947 1.282
132 HB2 ALA 25 HB2 ALA 25 -8.632 8.503 2.855
133 HB3 ALA 25 HB3 ALA 25 -7.572 7.595 1.753
134 H ARG 26 H ARG 26 -9.788 5.506 5.042
135 HA ARG 26 HA ARG 26 -12.699 5.924 4.623
136 HB2 ARG 26 HB2 ARG 26 -11.129 4.501 6.825
137 HB3 ARG 26 HB3 ARG 26 -12.892 4.633 6.724
138 HG2 ARG 26 HG2 ARG 26 -12.995 3.270 4.762
139 HG3 ARG 26 HG3 ARG 26 -11.234 3.231 4.618
140 HD2 ARG 26 HD2 ARG 26 -12.067 1.136 5.641
141 HD3 ARG 26 HD3 ARG 26 -11.030 2.047 6.754
142 HE ARG 26 HE ARG 26 -13.769 2.761 7.123
143 HH11 ARG 26 HH11 ARG 26 -11.549 0.094 7.929
144 HH12 ARG 26 HH12 ARG 26 -12.455 -0.395 9.322
145 HH21 ARG 26 HH21 ARG 26 -14.826 2.235 8.989
146 HH22 ARG 26 HH22 ARG 26 -14.415 0.873 9.969
Start of MODEL 36
1 H1 GLY 1 H GLY 1 7.944 8.890 2.293
2 HA2 GLY 1 HA2 GLY 1 8.657 10.001 0.217
3 HA3 GLY 1 HA3 GLY 1 9.303 8.432 -0.296
4 H SER 2 H SER 2 7.706 9.509 -1.986
5 HA SER 2 HA SER 2 4.901 9.093 -1.728
6 HB2 SER 2 HB2 SER 2 6.261 10.564 -3.379
7 HB3 SER 2 HB3 SER 2 6.498 9.077 -4.317
8 HG SER 2 HG SER 2 4.422 10.720 -4.247
9 H GLY 3 H GLY 3 3.794 7.632 -3.470
10 HA2 GLY 3 HA2 GLY 3 3.115 5.507 -4.030
11 HA3 GLY 3 HA3 GLY 3 4.827 5.195 -4.394
12 H CYS 4 H CYS 4 5.412 3.315 -3.384
13 HA CYS 4 HA CYS 4 5.236 3.124 -0.494
14 HB2 CYS 4 HB2 CYS 4 3.701 1.223 -2.288
15 HB3 CYS 4 HB3 CYS 4 4.270 0.773 -0.677
16 H ASP 5 H ASP 5 7.153 2.404 0.013
17 HA ASP 5 HA ASP 5 8.644 0.554 -1.775
18 HB2 ASP 5 HB2 ASP 5 9.580 2.190 0.611
19 HB3 ASP 5 HB3 ASP 5 10.611 1.305 -0.512
20 H ASP 6 H ASP 6 10.071 -0.997 -0.197
21 HA ASP 6 HA ASP 6 8.285 -2.639 1.266
22 HB2 ASP 6 HB2 ASP 6 10.443 -3.506 0.523
23 HB3 ASP 6 HB3 ASP 6 11.307 -2.342 1.541
24 H LYS 7 H LYS 7 10.438 -0.042 2.389
25 HA LYS 7 HA LYS 7 10.002 -0.351 5.150
26 HB2 LYS 7 HB2 LYS 7 10.542 2.284 3.712
27 HB3 LYS 7 HB3 LYS 7 10.893 1.893 5.396
28 HG2 LYS 7 HG2 LYS 7 12.444 0.057 4.526
29 HG3 LYS 7 HG3 LYS 7 12.217 0.742 2.917
30 HD2 LYS 7 HD2 LYS 7 13.235 2.868 3.642
31 HD3 LYS 7 HD3 LYS 7 13.319 2.269 5.308
32 HE2 LYS 7 HE2 LYS 7 15.507 1.997 4.387
33 HE3 LYS 7 HE3 LYS 7 14.786 0.393 4.535
34 HZ1 LYS 7 HZ1 LYS 7 15.182 1.980 2.085
35 HZ2 LYS 7 HZ2 LYS 7 14.255 0.617 2.079
36 HZ3 LYS 7 HZ3 LYS 7 15.851 0.525 2.453
37 H CYS 8 H CYS 8 7.692 0.619 2.838
38 HA CYS 8 HA CYS 8 6.197 2.538 4.432
39 HB2 CYS 8 HB2 CYS 8 6.018 2.383 1.953
40 HB3 CYS 8 HB3 CYS 8 5.306 0.764 2.128
41 H GLY 9 H GLY 9 6.130 -1.092 4.290
42 HA2 GLY 9 HA2 GLY 9 5.022 -2.427 5.869
43 HA3 GLY 9 HA3 GLY 9 4.108 -1.020 6.450
44 H CYS 10 H CYS 10 4.640 -2.665 3.279
45 HA CYS 10 HA CYS 10 1.844 -3.134 2.792
46 HB2 CYS 10 HB2 CYS 10 3.519 -1.347 0.956
47 HB3 CYS 10 HB3 CYS 10 2.053 -2.203 0.472
48 H ALA 11 H ALA 11 1.727 -4.718 0.900
49 HA ALA 11 HA ALA 11 3.936 -6.470 0.828
50 HB1 ALA 11 HB1 ALA 11 1.802 -6.144 -1.334
51 HB2 ALA 11 HB2 ALA 11 2.824 -7.556 -1.069
52 HB3 ALA 11 HB3 ALA 11 1.624 -7.123 0.149
53 H VAL 12 H VAL 12 5.377 -7.001 -0.981
54 HA VAL 12 HA VAL 12 6.208 -4.599 -2.544
55 HB VAL 12 HB VAL 12 7.868 -6.807 -1.294
56 HG11 VAL 12 HG11 VAL 12 8.814 -4.224 -2.571
57 HG12 VAL 12 HG12 VAL 12 9.819 -5.516 -1.902
58 HG13 VAL 12 HG13 VAL 12 8.908 -5.817 -3.379
59 HG21 VAL 12 HG21 VAL 12 7.446 -3.888 -0.512
60 HG22 VAL 12 HG22 VAL 12 7.012 -5.319 0.451
61 HG23 VAL 12 HG23 VAL 12 8.704 -4.953 0.150
62 HA PRO 13 HA PRO 13 6.502 -3.897 -4.515
63 HB2 PRO 13 HB2 PRO 13 5.366 -3.570 -6.949
64 HB3 PRO 13 HB3 PRO 13 7.028 -4.220 -6.770
65 HG2 PRO 13 HG2 PRO 13 4.466 -5.754 -7.246
66 HG3 PRO 13 HG3 PRO 13 6.058 -5.966 -8.040
67 HD2 PRO 13 HD2 PRO 13 5.151 -7.465 -5.864
68 HD3 PRO 13 HD3 PRO 13 6.875 -7.202 -6.241
69 H CYS 14 H CYS 14 4.638 -2.251 -4.457
70 HA CYS 14 HA CYS 14 2.455 -3.462 -3.061
71 HB2 CYS 14 HB2 CYS 14 3.501 -1.050 -2.870
72 HB3 CYS 14 HB3 CYS 14 2.282 -0.624 -4.048
73 HA PRO 15 HA PRO 15 -0.183 -4.194 -6.621
74 HB2 PRO 15 HB2 PRO 15 -2.597 -4.604 -5.335
75 HB3 PRO 15 HB3 PRO 15 -1.276 -5.802 -5.403
76 HG2 PRO 15 HG2 PRO 15 -1.856 -3.842 -3.170
77 HG3 PRO 15 HG3 PRO 15 -1.535 -5.606 -3.058
78 HD2 PRO 15 HD2 PRO 15 0.427 -3.821 -2.644
79 HD3 PRO 15 HD3 PRO 15 0.767 -5.309 -3.569
80 H GLY 16 H GLY 16 -0.485 -1.485 -4.472
81 HA2 GLY 16 HA2 GLY 16 -1.041 0.689 -5.072
82 HA3 GLY 16 HA3 GLY 16 -1.731 0.114 -6.576
83 H GLY 17 H GLY 17 -3.774 -1.570 -5.843
84 HA2 GLY 17 HA2 GLY 17 -5.589 0.182 -4.189
85 HA3 GLY 17 HA3 GLY 17 -6.071 -0.819 -5.571
86 H THR 18 H THR 18 -6.161 -3.053 -5.432
87 HA THR 18 HA THR 18 -7.291 -4.131 -3.200
88 HB THR 18 HB THR 18 -5.756 -5.433 -5.503
89 HG1 THR 18 HG1 THR 18 -7.816 -5.308 -6.506
90 HG21 THR 18 HG21 THR 18 -8.023 -6.463 -3.749
91 HG22 THR 18 HG22 THR 18 -6.348 -7.074 -3.779
92 HG23 THR 18 HG23 THR 18 -7.370 -7.260 -5.197
93 H GLY 19 H GLY 19 -6.272 -4.126 -1.249
94 HA2 GLY 19 HA2 GLY 19 -4.903 -5.236 0.339
95 HA3 GLY 19 HA3 GLY 19 -3.777 -5.700 -0.932
96 H CYS 20 H CYS 20 -4.420 -2.409 -1.430
97 HA CYS 20 HA CYS 20 -1.868 -1.726 -0.172
98 HB2 CYS 20 HB2 CYS 20 -2.247 -1.033 -2.459
99 HB3 CYS 20 HB3 CYS 20 -3.516 0.069 -1.860
100 H ARG 21 H ARG 21 -2.729 -1.939 2.056
101 HA ARG 21 HA ARG 21 -5.017 -0.832 3.122
102 HB2 ARG 21 HB2 ARG 21 -4.138 -1.343 5.234
103 HB3 ARG 21 HB3 ARG 21 -3.513 -2.509 4.073
104 HG2 ARG 21 HG2 ARG 21 -1.341 -1.152 4.023
105 HG3 ARG 21 HG3 ARG 21 -1.999 -0.234 5.386
106 HD2 ARG 21 HD2 ARG 21 -2.395 -2.468 6.559
107 HD3 ARG 21 HD3 ARG 21 -1.580 -3.245 5.206
108 HE ARG 21 HE ARG 21 0.381 -2.839 6.197
109 HH11 ARG 21 HH11 ARG 21 -1.843 -0.470 7.691
110 HH12 ARG 21 HH12 ARG 21 -0.580 0.437 8.441
111 HH21 ARG 21 HH21 ARG 21 1.981 -1.815 7.425
112 HH22 ARG 21 HH22 ARG 21 1.678 -0.346 8.278
113 H CYS 22 H CYS 22 -2.964 1.201 1.843
114 HA CYS 22 HA CYS 22 -3.019 3.395 3.869
115 HB2 CYS 22 HB2 CYS 22 -1.992 3.513 1.045
116 HB3 CYS 22 HB3 CYS 22 -1.554 4.560 2.378
117 H THR 23 H THR 23 -4.986 2.191 1.290
118 HA THR 23 HA THR 23 -5.848 4.716 0.191
119 HB THR 23 HB THR 23 -5.690 2.436 -0.934
120 HG1 THR 23 HG1 THR 23 -6.764 3.673 -2.164
121 HG21 THR 23 HG21 THR 23 -7.524 0.879 -0.785
122 HG22 THR 23 HG22 THR 23 -8.324 1.848 0.464
123 HG23 THR 23 HG23 THR 23 -6.791 1.042 0.821
124 H SER 24 H SER 24 -8.410 4.864 0.098
125 HA SER 24 HA SER 24 -9.610 4.731 2.825
126 HB2 SER 24 HB2 SER 24 -10.854 6.876 1.820
127 HB3 SER 24 HB3 SER 24 -9.363 6.994 2.734
128 HG SER 24 HG SER 24 -9.705 8.026 0.446
129 H ALA 25 H ALA 25 -10.110 2.556 1.761
130 HA ALA 25 HA ALA 25 -11.893 2.505 -0.531
131 HB1 ALA 25 HB1 ALA 25 -11.233 0.364 1.537
132 HB2 ALA 25 HB2 ALA 25 -12.022 0.097 -0.024
133 HB3 ALA 25 HB3 ALA 25 -10.332 0.642 0.029
134 H ARG 26 H ARG 26 -14.028 1.424 -0.400
135 HA ARG 26 HA ARG 26 -16.206 1.565 0.136
136 HB2 ARG 26 HB2 ARG 26 -15.139 0.806 2.878
137 HB3 ARG 26 HB3 ARG 26 -16.818 0.698 2.405
138 HG2 ARG 26 HG2 ARG 26 -14.520 -0.848 1.099
139 HG3 ARG 26 HG3 ARG 26 -15.628 -1.489 2.309
140 HD2 ARG 26 HD2 ARG 26 -16.408 -0.538 -0.479
141 HD3 ARG 26 HD3 ARG 26 -16.278 -2.217 0.065
142 HE ARG 26 HE ARG 26 -18.028 -1.005 1.852
143 HH11 ARG 26 HH11 ARG 26 -18.149 -1.461 -1.695
144 HH12 ARG 26 HH12 ARG 26 -19.883 -1.240 -1.732
145 HH21 ARG 26 HH21 ARG 26 -20.155 -0.986 1.808
146 HH22 ARG 26 HH22 ARG 26 -21.079 -1.133 0.338
Start of MODEL 37
1 H1 GLY 1 H GLY 1 -1.435 9.525 -6.106
2 HA2 GLY 1 HA2 GLY 1 1.309 10.548 -6.574
3 HA3 GLY 1 HA3 GLY 1 -0.017 11.549 -5.940
4 H SER 2 H SER 2 1.364 8.235 -5.180
5 HA SER 2 HA SER 2 2.018 9.089 -2.465
6 HB2 SER 2 HB2 SER 2 -0.127 6.985 -2.975
7 HB3 SER 2 HB3 SER 2 0.626 7.359 -1.412
8 HG SER 2 HG SER 2 -0.302 9.635 -2.461
9 H GLY 3 H GLY 3 4.171 8.448 -2.977
10 HA2 GLY 3 HA2 GLY 3 4.749 5.958 -4.281
11 HA3 GLY 3 HA3 GLY 3 5.893 6.992 -3.428
12 H CYS 4 H CYS 4 6.478 4.461 -3.052
13 HA CYS 4 HA CYS 4 6.140 3.991 -0.265
14 HB2 CYS 4 HB2 CYS 4 5.035 1.894 -2.197
15 HB3 CYS 4 HB3 CYS 4 5.394 1.739 -0.475
16 H ASP 5 H ASP 5 7.139 1.740 0.234
17 HA ASP 5 HA ASP 5 9.128 0.544 -1.382
18 HB2 ASP 5 HB2 ASP 5 10.785 0.843 0.513
19 HB3 ASP 5 HB3 ASP 5 10.510 2.288 -0.451
20 H ASP 6 H ASP 6 10.001 -1.111 0.431
21 HA ASP 6 HA ASP 6 7.758 -2.717 1.312
22 HB2 ASP 6 HB2 ASP 6 9.576 -4.220 2.145
23 HB3 ASP 6 HB3 ASP 6 9.732 -3.779 0.431
24 H LYS 7 H LYS 7 10.289 -0.813 2.900
25 HA LYS 7 HA LYS 7 10.004 -1.376 5.567
26 HB2 LYS 7 HB2 LYS 7 10.339 1.467 4.570
27 HB3 LYS 7 HB3 LYS 7 11.019 0.702 6.014
28 HG2 LYS 7 HG2 LYS 7 12.652 -0.483 4.759
29 HG3 LYS 7 HG3 LYS 7 11.874 -0.116 3.216
30 HD2 LYS 7 HD2 LYS 7 13.782 1.248 3.393
31 HD3 LYS 7 HD3 LYS 7 12.377 2.291 3.477
32 HE2 LYS 7 HE2 LYS 7 13.828 1.297 5.974
33 HE3 LYS 7 HE3 LYS 7 14.399 2.693 5.061
34 HZ1 LYS 7 HZ1 LYS 7 13.056 3.489 6.812
35 HZ2 LYS 7 HZ2 LYS 7 11.789 2.534 6.455
36 HZ3 LYS 7 HZ3 LYS 7 12.215 3.735 5.432
37 H CYS 8 H CYS 8 8.061 0.738 3.614
38 HA CYS 8 HA CYS 8 6.449 2.173 5.275
39 HB2 CYS 8 HB2 CYS 8 6.575 2.235 2.795
40 HB3 CYS 8 HB3 CYS 8 5.755 0.659 2.738
41 H GLY 9 H GLY 9 6.286 -1.385 5.120
42 HA2 GLY 9 HA2 GLY 9 4.869 -2.772 6.370
43 HA3 GLY 9 HA3 GLY 9 3.943 -1.350 6.906
44 H CYS 10 H CYS 10 4.921 -2.820 3.812
45 HA CYS 10 HA CYS 10 2.162 -2.910 2.795
46 HB2 CYS 10 HB2 CYS 10 4.568 -1.555 1.483
47 HB3 CYS 10 HB3 CYS 10 3.177 -2.151 0.588
48 H ALA 11 H ALA 11 2.114 -4.425 0.854
49 HA ALA 11 HA ALA 11 3.754 -6.728 1.257
50 HB1 ALA 11 HB1 ALA 11 2.052 -5.829 -1.122
51 HB2 ALA 11 HB2 ALA 11 2.764 -7.438 -0.937
52 HB3 ALA 11 HB3 ALA 11 1.547 -6.881 0.226
53 H VAL 12 H VAL 12 5.242 -7.617 -0.464
54 HA VAL 12 HA VAL 12 6.668 -5.483 -1.946
55 HB VAL 12 HB VAL 12 8.205 -7.635 -0.484
56 HG11 VAL 12 HG11 VAL 12 9.984 -5.958 -0.702
57 HG12 VAL 12 HG12 VAL 12 9.236 -6.239 -2.276
58 HG13 VAL 12 HG13 VAL 12 8.827 -4.779 -1.367
59 HG21 VAL 12 HG21 VAL 12 7.414 -4.964 0.740
60 HG22 VAL 12 HG22 VAL 12 6.969 -6.572 1.354
61 HG23 VAL 12 HG23 VAL 12 8.655 -6.094 1.357
62 HA PRO 13 HA PRO 13 7.025 -5.119 -4.007
63 HB2 PRO 13 HB2 PRO 13 5.827 -5.160 -6.451
64 HB3 PRO 13 HB3 PRO 13 7.484 -5.784 -6.177
65 HG2 PRO 13 HG2 PRO 13 4.933 -7.377 -6.306
66 HG3 PRO 13 HG3 PRO 13 6.467 -7.675 -7.171
67 HD2 PRO 13 HD2 PRO 13 5.809 -8.938 -4.833
68 HD3 PRO 13 HD3 PRO 13 7.497 -8.491 -5.201
69 H CYS 14 H CYS 14 5.488 -3.429 -3.863
70 HA CYS 14 HA CYS 14 2.914 -4.206 -2.692
71 HB2 CYS 14 HB2 CYS 14 4.313 -2.420 -1.767
72 HB3 CYS 14 HB3 CYS 14 4.133 -1.486 -3.246
73 HA PRO 15 HA PRO 15 1.159 -3.812 -6.811
74 HB2 PRO 15 HB2 PRO 15 -1.475 -4.106 -6.315
75 HB3 PRO 15 HB3 PRO 15 -0.302 -5.440 -6.105
76 HG2 PRO 15 HG2 PRO 15 -1.333 -3.570 -3.948
77 HG3 PRO 15 HG3 PRO 15 -1.350 -5.365 -3.930
78 HD2 PRO 15 HD2 PRO 15 0.659 -4.006 -2.754
79 HD3 PRO 15 HD3 PRO 15 1.018 -5.475 -3.710
80 H GLY 16 H GLY 16 0.674 -1.522 -4.320
81 HA2 GLY 16 HA2 GLY 16 0.299 0.763 -4.391
82 HA3 GLY 16 HA3 GLY 16 0.283 0.648 -6.150
83 H GLY 17 H GLY 17 -1.923 -0.968 -6.591
84 HA2 GLY 17 HA2 GLY 17 -4.109 0.835 -6.494
85 HA3 GLY 17 HA3 GLY 17 -4.113 -0.851 -7.026
86 H THR 18 H THR 18 -6.122 -1.344 -6.116
87 HA THR 18 HA THR 18 -6.972 -0.725 -3.529
88 HB THR 18 HB THR 18 -7.744 -3.082 -5.303
89 HG1 THR 18 HG1 THR 18 -8.897 -1.700 -6.437
90 HG21 THR 18 HG21 THR 18 -9.292 -1.468 -3.226
91 HG22 THR 18 HG22 THR 18 -8.812 -3.172 -3.089
92 HG23 THR 18 HG23 THR 18 -9.998 -2.687 -4.308
93 H GLY 19 H GLY 19 -4.798 -3.331 -4.624
94 HA2 GLY 19 HA2 GLY 19 -4.989 -4.921 -2.245
95 HA3 GLY 19 HA3 GLY 19 -3.685 -4.958 -3.436
96 H CYS 20 H CYS 20 -3.539 -1.798 -2.683
97 HA CYS 20 HA CYS 20 -1.462 -2.296 -0.641
98 HB2 CYS 20 HB2 CYS 20 -1.080 -0.671 -2.555
99 HB3 CYS 20 HB3 CYS 20 -2.366 0.329 -1.895
100 H ARG 21 H ARG 21 -1.641 -0.972 1.468
101 HA ARG 21 HA ARG 21 -4.524 -0.549 2.231
102 HB2 ARG 21 HB2 ARG 21 -2.239 -1.548 3.956
103 HB3 ARG 21 HB3 ARG 21 -3.897 -1.292 4.459
104 HG2 ARG 21 HG2 ARG 21 -3.161 -3.336 2.319
105 HG3 ARG 21 HG3 ARG 21 -3.146 -3.676 4.045
106 HD2 ARG 21 HD2 ARG 21 -5.575 -2.859 4.131
107 HD3 ARG 21 HD3 ARG 21 -5.547 -2.862 2.365
108 HE ARG 21 HE ARG 21 -5.675 -5.161 2.370
109 HH11 ARG 21 HH11 ARG 21 -4.734 -4.182 5.693
110 HH12 ARG 21 HH12 ARG 21 -5.143 -5.726 6.359
111 HH21 ARG 21 HH21 ARG 21 -5.989 -7.166 3.227
112 HH22 ARG 21 HH22 ARG 21 -5.667 -7.536 4.902
113 H CYS 22 H CYS 22 -2.831 1.503 1.070
114 HA CYS 22 HA CYS 22 -2.166 3.220 3.433
115 HB2 CYS 22 HB2 CYS 22 -1.180 3.392 0.600
116 HB3 CYS 22 HB3 CYS 22 -0.715 4.428 1.945
117 H THR 23 H THR 23 -4.700 3.025 1.040
118 HA THR 23 HA THR 23 -5.223 5.917 1.574
119 HB THR 23 HB THR 23 -4.205 5.563 -0.699
120 HG1 THR 23 HG1 THR 23 -5.497 7.385 -0.247
121 HG21 THR 23 HG21 THR 23 -5.671 4.797 -2.525
122 HG22 THR 23 HG22 THR 23 -6.887 4.259 -1.351
123 HG23 THR 23 HG23 THR 23 -5.300 3.485 -1.407
124 H SER 24 H SER 24 -7.646 6.339 0.704
125 HA SER 24 HA SER 24 -9.303 5.039 2.589
126 HB2 SER 24 HB2 SER 24 -10.157 6.789 0.257
127 HB3 SER 24 HB3 SER 24 -11.004 6.521 1.785
128 HG SER 24 HG SER 24 -8.761 8.095 1.198
129 H ALA 25 H ALA 25 -8.267 3.395 -0.009
130 HA ALA 25 HA ALA 25 -10.729 2.555 -1.300
131 HB1 ALA 25 HB1 ALA 25 -8.533 2.256 -2.400
132 HB2 ALA 25 HB2 ALA 25 -8.008 1.172 -1.088
133 HB3 ALA 25 HB3 ALA 25 -9.340 0.691 -2.158
134 H ARG 26 H ARG 26 -12.193 0.955 -0.536
135 HA ARG 26 HA ARG 26 -11.381 -0.616 1.819
136 HB2 ARG 26 HB2 ARG 26 -12.518 1.392 2.689
137 HB3 ARG 26 HB3 ARG 26 -13.951 1.022 1.702
138 HG2 ARG 26 HG2 ARG 26 -14.288 -1.072 2.915
139 HG3 ARG 26 HG3 ARG 26 -12.747 -0.842 3.776
140 HD2 ARG 26 HD2 ARG 26 -13.611 1.044 4.990
141 HD3 ARG 26 HD3 ARG 26 -15.077 1.065 4.013
142 HE ARG 26 HE ARG 26 -14.442 -0.759 6.229
143 HH11 ARG 26 HH11 ARG 26 -16.709 -0.155 3.506
144 HH12 ARG 26 HH12 ARG 26 -18.019 -0.906 4.314
145 HH21 ARG 26 HH21 ARG 26 -16.092 -1.803 7.176
146 HH22 ARG 26 HH22 ARG 26 -17.676 -1.961 6.461
Start of MODEL 38
1 H1 GLY 1 H GLY 1 7.323 9.275 -7.057
2 HA2 GLY 1 HA2 GLY 1 7.125 8.208 -4.900
3 HA3 GLY 1 HA3 GLY 1 7.999 9.737 -4.744
4 H SER 2 H SER 2 4.726 8.319 -4.572
5 HA SER 2 HA SER 2 4.115 9.672 -2.106
6 HB2 SER 2 HB2 SER 2 3.431 11.373 -3.857
7 HB3 SER 2 HB3 SER 2 2.381 10.142 -4.574
8 HG SER 2 HG SER 2 2.200 11.437 -2.034
9 H GLY 3 H GLY 3 2.946 8.171 -1.001
10 HA2 GLY 3 HA2 GLY 3 1.175 6.481 -0.935
11 HA3 GLY 3 HA3 GLY 3 1.789 5.827 -2.468
12 H CYS 4 H CYS 4 1.829 3.869 -0.966
13 HA CYS 4 HA CYS 4 3.965 3.760 1.042
14 HB2 CYS 4 HB2 CYS 4 2.533 1.474 -0.338
15 HB3 CYS 4 HB3 CYS 4 3.354 1.410 1.197
16 H ASP 5 H ASP 5 5.594 1.886 0.896
17 HA ASP 5 HA ASP 5 6.601 1.114 -1.689
18 HB2 ASP 5 HB2 ASP 5 8.109 2.839 0.328
19 HB3 ASP 5 HB3 ASP 5 8.906 1.889 -0.944
20 H ASP 6 H ASP 6 8.627 -0.397 -0.960
21 HA ASP 6 HA ASP 6 7.670 -2.516 0.601
22 HB2 ASP 6 HB2 ASP 6 9.988 -3.318 0.549
23 HB3 ASP 6 HB3 ASP 6 9.494 -2.699 -1.034
24 H LYS 7 H LYS 7 9.853 0.146 1.554
25 HA LYS 7 HA LYS 7 10.388 -0.522 4.177
26 HB2 LYS 7 HB2 LYS 7 10.668 1.950 4.558
27 HB3 LYS 7 HB3 LYS 7 11.510 1.327 3.155
28 HG2 LYS 7 HG2 LYS 7 9.767 2.229 1.661
29 HG3 LYS 7 HG3 LYS 7 8.867 2.824 3.068
30 HD2 LYS 7 HD2 LYS 7 10.027 4.695 2.224
31 HD3 LYS 7 HD3 LYS 7 10.940 4.194 3.657
32 HE2 LYS 7 HE2 LYS 7 12.440 2.867 2.016
33 HE3 LYS 7 HE3 LYS 7 11.651 3.793 0.725
34 HZ1 LYS 7 HZ1 LYS 7 13.249 4.792 2.986
35 HZ2 LYS 7 HZ2 LYS 7 12.392 5.811 2.002
36 HZ3 LYS 7 HZ3 LYS 7 13.629 4.895 1.395
37 H CYS 8 H CYS 8 7.396 0.588 2.911
38 HA CYS 8 HA CYS 8 6.248 1.577 5.365
39 HB2 CYS 8 HB2 CYS 8 5.623 2.172 2.969
40 HB3 CYS 8 HB3 CYS 8 4.823 0.574 2.895
41 H GLY 9 H GLY 9 6.992 -1.716 4.590
42 HA2 GLY 9 HA2 GLY 9 6.313 -3.640 5.594
43 HA3 GLY 9 HA3 GLY 9 5.360 -2.665 6.745
44 H CYS 10 H CYS 10 5.263 -2.610 3.209
45 HA CYS 10 HA CYS 10 2.498 -3.505 3.294
46 HB2 CYS 10 HB2 CYS 10 3.662 -1.379 1.475
47 HB3 CYS 10 HB3 CYS 10 2.063 -2.140 1.250
48 H ALA 11 H ALA 11 1.853 -4.651 1.203
49 HA ALA 11 HA ALA 11 3.724 -6.631 0.499
50 HB1 ALA 11 HB1 ALA 11 1.242 -5.615 -0.957
51 HB2 ALA 11 HB2 ALA 11 2.080 -7.116 -1.337
52 HB3 ALA 11 HB3 ALA 11 1.294 -6.935 0.242
53 H VAL 12 H VAL 12 4.748 -6.987 -1.645
54 HA VAL 12 HA VAL 12 5.489 -4.455 -3.019
55 HB VAL 12 HB VAL 12 7.352 -6.748 -2.279
56 HG11 VAL 12 HG11 VAL 12 7.829 -4.071 -3.680
57 HG12 VAL 12 HG12 VAL 12 9.103 -5.180 -3.155
58 HG13 VAL 12 HG13 VAL 12 7.967 -5.680 -4.414
59 HG21 VAL 12 HG21 VAL 12 7.133 -3.914 -1.173
60 HG22 VAL 12 HG22 VAL 12 6.849 -5.422 -0.274
61 HG23 VAL 12 HG23 VAL 12 8.467 -5.043 -0.844
62 HA PRO 13 HA PRO 13 4.869 -3.640 -4.919
63 HB2 PRO 13 HB2 PRO 13 2.680 -3.451 -6.550
64 HB3 PRO 13 HB3 PRO 13 4.315 -3.850 -7.172
65 HG2 PRO 13 HG2 PRO 13 2.048 -5.751 -6.494
66 HG3 PRO 13 HG3 PRO 13 3.046 -5.693 -7.993
67 HD2 PRO 13 HD2 PRO 13 3.585 -7.410 -5.918
68 HD3 PRO 13 HD3 PRO 13 4.910 -6.666 -6.869
69 H CYS 14 H CYS 14 3.116 -2.072 -4.225
70 HA CYS 14 HA CYS 14 1.466 -3.244 -2.100
71 HB2 CYS 14 HB2 CYS 14 2.757 -1.095 -1.786
72 HB3 CYS 14 HB3 CYS 14 1.675 -0.317 -2.916
73 HA PRO 15 HA PRO 15 -1.580 -3.430 -5.521
74 HB2 PRO 15 HB2 PRO 15 -3.678 -4.618 -4.149
75 HB3 PRO 15 HB3 PRO 15 -2.291 -5.502 -4.838
76 HG2 PRO 15 HG2 PRO 15 -2.672 -4.517 -2.010
77 HG3 PRO 15 HG3 PRO 15 -2.143 -6.146 -2.563
78 HD2 PRO 15 HD2 PRO 15 -0.346 -4.324 -1.755
79 HD3 PRO 15 HD3 PRO 15 -0.025 -5.349 -3.191
80 H GLY 16 H GLY 16 -1.883 -1.780 -2.477
81 HA2 GLY 16 HA2 GLY 16 -2.963 0.226 -2.001
82 HA3 GLY 16 HA3 GLY 16 -3.553 0.261 -3.658
83 H GLY 17 H GLY 17 -4.929 -2.355 -3.510
84 HA2 GLY 17 HA2 GLY 17 -7.394 -1.511 -2.236
85 HA3 GLY 17 HA3 GLY 17 -7.123 -2.942 -3.251
86 H THR 18 H THR 18 -7.923 -4.573 -2.070
87 HA THR 18 HA THR 18 -8.145 -4.782 0.662
88 HB THR 18 HB THR 18 -7.731 -7.152 -1.183
89 HG1 THR 18 HG1 THR 18 -9.932 -6.897 -1.717
90 HG21 THR 18 HG21 THR 18 -9.503 -8.148 0.187
91 HG22 THR 18 HG22 THR 18 -9.692 -6.621 1.083
92 HG23 THR 18 HG23 THR 18 -8.196 -7.563 1.232
93 H GLY 19 H GLY 19 -5.418 -5.872 -1.405
94 HA2 GLY 19 HA2 GLY 19 -3.954 -7.056 0.731
95 HA3 GLY 19 HA3 GLY 19 -3.326 -6.623 -0.852
96 H CYS 20 H CYS 20 -4.733 -3.804 0.692
97 HA CYS 20 HA CYS 20 -2.076 -3.126 1.827
98 HB2 CYS 20 HB2 CYS 20 -2.472 -1.852 -0.275
99 HB3 CYS 20 HB3 CYS 20 -3.884 -1.110 0.542
100 H ARG 21 H ARG 21 -2.160 -3.107 3.858
101 HA ARG 21 HA ARG 21 -4.695 -2.742 5.338
102 HB2 ARG 21 HB2 ARG 21 -1.825 -2.840 6.394
103 HB3 ARG 21 HB3 ARG 21 -3.277 -3.033 7.374
104 HG2 ARG 21 HG2 ARG 21 -3.761 -5.200 6.451
105 HG3 ARG 21 HG3 ARG 21 -2.583 -4.988 5.146
106 HD2 ARG 21 HD2 ARG 21 -1.516 -6.387 6.754
107 HD3 ARG 21 HD3 ARG 21 -0.768 -4.790 6.833
108 HE ARG 21 HE ARG 21 -2.963 -5.464 8.718
109 HH11 ARG 21 HH11 ARG 21 0.549 -4.937 8.309
110 HH12 ARG 21 HH12 ARG 21 0.823 -4.708 10.012
111 HH21 ARG 21 HH21 ARG 21 -2.556 -5.274 10.956
112 HH22 ARG 21 HH22 ARG 21 -0.978 -4.900 11.537
113 H CYS 22 H CYS 22 -2.708 -0.543 4.023
114 HA CYS 22 HA CYS 22 -3.809 1.632 5.637
115 HB2 CYS 22 HB2 CYS 22 -1.594 2.699 5.856
116 HB3 CYS 22 HB3 CYS 22 -1.760 1.169 6.731
117 H THR 23 H THR 23 -5.060 1.815 3.889
118 HA THR 23 HA THR 23 -3.904 2.746 1.306
119 HB THR 23 HB THR 23 -5.172 0.653 1.153
120 HG1 THR 23 HG1 THR 23 -5.972 1.251 -0.597
121 HG21 THR 23 HG21 THR 23 -7.597 0.570 1.461
122 HG22 THR 23 HG22 THR 23 -7.590 2.201 2.170
123 HG23 THR 23 HG23 THR 23 -6.778 0.851 3.000
124 H SER 24 H SER 24 -5.989 4.265 0.376
125 HA SER 24 HA SER 24 -6.807 6.107 2.556
126 HB2 SER 24 HB2 SER 24 -5.379 7.063 0.064
127 HB3 SER 24 HB3 SER 24 -6.046 8.071 1.356
128 HG SER 24 HG SER 24 -3.803 7.760 1.437
129 H ALA 25 H ALA 25 -6.926 5.887 -1.059
130 HA ALA 25 HA ALA 25 -9.874 5.732 -0.976
131 HB1 ALA 25 HB1 ALA 25 -8.505 7.824 -2.710
132 HB2 ALA 25 HB2 ALA 25 -10.230 7.513 -2.537
133 HB3 ALA 25 HB3 ALA 25 -9.349 8.177 -1.168
134 H ARG 26 H ARG 26 -10.666 5.463 -3.431
135 HA ARG 26 HA ARG 26 -8.681 3.882 -4.982
136 HB2 ARG 26 HB2 ARG 26 -10.114 2.393 -3.576
137 HB3 ARG 26 HB3 ARG 26 -11.560 3.087 -4.316
138 HG2 ARG 26 HG2 ARG 26 -10.881 2.256 -6.527
139 HG3 ARG 26 HG3 ARG 26 -9.321 1.730 -5.873
140 HD2 ARG 26 HD2 ARG 26 -10.477 0.121 -4.393
141 HD3 ARG 26 HD3 ARG 26 -12.036 0.630 -5.036
142 HE ARG 26 HE ARG 26 -9.872 -0.858 -6.379
143 HH11 ARG 26 HH11 ARG 26 -13.107 0.598 -6.794
144 HH12 ARG 26 HH12 ARG 26 -13.574 -0.480 -8.079
145 HH21 ARG 26 HH21 ARG 26 -10.501 -2.186 -8.203
146 HH22 ARG 26 HH22 ARG 26 -12.149 -2.233 -8.694
Start of MODEL 39
1 H1 GLY 1 H GLY 1 1.098 11.011 -8.652
2 HA2 GLY 1 HA2 GLY 1 -0.159 8.975 -8.602
3 HA3 GLY 1 HA3 GLY 1 1.398 8.654 -9.369
4 H SER 2 H SER 2 2.731 7.036 -8.459
5 HA SER 2 HA SER 2 1.703 5.380 -6.363
6 HB2 SER 2 HB2 SER 2 3.986 4.260 -6.924
7 HB3 SER 2 HB3 SER 2 2.780 4.358 -8.216
8 HG SER 2 HG SER 2 4.861 5.034 -8.914
9 H GLY 3 H GLY 3 3.776 4.609 -4.784
10 HA2 GLY 3 HA2 GLY 3 5.722 5.950 -3.690
11 HA3 GLY 3 HA3 GLY 3 4.439 7.067 -3.230
12 H CYS 4 H CYS 4 6.124 4.239 -2.341
13 HA CYS 4 HA CYS 4 4.759 3.971 0.172
14 HB2 CYS 4 HB2 CYS 4 4.504 1.796 -1.927
15 HB3 CYS 4 HB3 CYS 4 4.454 1.435 -0.216
16 H ASP 5 H ASP 5 6.187 3.137 1.657
17 HA ASP 5 HA ASP 5 8.720 2.153 0.584
18 HB2 ASP 5 HB2 ASP 5 7.857 2.682 3.430
19 HB3 ASP 5 HB3 ASP 5 9.507 2.564 2.805
20 H ASP 6 H ASP 6 9.610 0.356 1.820
21 HA ASP 6 HA ASP 6 8.013 -1.986 1.638
22 HB2 ASP 6 HB2 ASP 6 10.095 -3.037 2.236
23 HB3 ASP 6 HB3 ASP 6 10.487 -1.687 1.164
24 H LYS 7 H LYS 7 9.151 0.077 4.301
25 HA LYS 7 HA LYS 7 8.041 -1.735 6.348
26 HB2 LYS 7 HB2 LYS 7 9.116 1.086 6.690
27 HB3 LYS 7 HB3 LYS 7 8.729 -0.033 7.982
28 HG2 LYS 7 HG2 LYS 7 10.922 -0.437 5.916
29 HG3 LYS 7 HG3 LYS 7 11.165 0.187 7.526
30 HD2 LYS 7 HD2 LYS 7 10.065 -2.608 6.990
31 HD3 LYS 7 HD3 LYS 7 11.776 -2.225 7.146
32 HE2 LYS 7 HE2 LYS 7 11.349 -1.259 9.430
33 HE3 LYS 7 HE3 LYS 7 9.673 -1.829 9.300
34 HZ1 LYS 7 HZ1 LYS 7 10.969 -3.451 10.480
35 HZ2 LYS 7 HZ2 LYS 7 12.063 -3.554 9.263
36 HZ3 LYS 7 HZ3 LYS 7 10.561 -4.106 9.017
37 H CYS 8 H CYS 8 6.680 0.712 4.268
38 HA CYS 8 HA CYS 8 4.792 1.770 6.101
39 HB2 CYS 8 HB2 CYS 8 3.996 2.928 4.390
40 HB3 CYS 8 HB3 CYS 8 5.500 2.444 3.634
41 H GLY 9 H GLY 9 5.010 -1.443 5.078
42 HA2 GLY 9 HA2 GLY 9 3.552 -3.128 5.699
43 HA3 GLY 9 HA3 GLY 9 2.224 -1.969 5.862
44 H CYS 10 H CYS 10 4.376 -2.021 3.002
45 HA CYS 10 HA CYS 10 2.187 -3.224 1.386
46 HB2 CYS 10 HB2 CYS 10 4.002 -0.896 0.603
47 HB3 CYS 10 HB3 CYS 10 3.085 -1.881 -0.512
48 H ALA 11 H ALA 11 2.834 -4.486 -0.314
49 HA ALA 11 HA ALA 11 5.299 -5.875 0.008
50 HB1 ALA 11 HB1 ALA 11 3.453 -5.788 -2.429
51 HB2 ALA 11 HB2 ALA 11 4.653 -7.038 -2.050
52 HB3 ALA 11 HB3 ALA 11 3.221 -6.851 -1.021
53 H VAL 12 H VAL 12 7.020 -6.000 -1.744
54 HA VAL 12 HA VAL 12 7.505 -3.343 -2.994
55 HB VAL 12 HB VAL 12 9.475 -5.120 -1.534
56 HG11 VAL 12 HG11 VAL 12 10.960 -3.120 -1.682
57 HG12 VAL 12 HG12 VAL 12 10.562 -3.775 -3.260
58 HG13 VAL 12 HG13 VAL 12 9.734 -2.304 -2.702
59 HG21 VAL 12 HG21 VAL 12 9.565 -3.480 0.160
60 HG22 VAL 12 HG22 VAL 12 8.293 -2.478 -0.609
61 HG23 VAL 12 HG23 VAL 12 7.930 -4.082 0.093
62 HA PRO 13 HA PRO 13 7.761 -2.589 -4.986
63 HB2 PRO 13 HB2 PRO 13 6.667 -2.717 -7.488
64 HB3 PRO 13 HB3 PRO 13 8.431 -2.680 -7.198
65 HG2 PRO 13 HG2 PRO 13 6.663 -5.093 -7.724
66 HG3 PRO 13 HG3 PRO 13 8.245 -4.691 -8.453
67 HD2 PRO 13 HD2 PRO 13 7.952 -6.429 -6.351
68 HD3 PRO 13 HD3 PRO 13 9.405 -5.406 -6.534
69 H CYS 14 H CYS 14 5.713 -1.577 -4.680
70 HA CYS 14 HA CYS 14 3.604 -3.294 -3.676
71 HB2 CYS 14 HB2 CYS 14 4.253 -1.055 -2.818
72 HB3 CYS 14 HB3 CYS 14 3.662 -0.328 -4.306
73 HA PRO 15 HA PRO 15 1.526 -3.673 -7.669
74 HB2 PRO 15 HB2 PRO 15 -0.853 -4.772 -7.014
75 HB3 PRO 15 HB3 PRO 15 0.693 -5.631 -6.749
76 HG2 PRO 15 HG2 PRO 15 -0.916 -4.065 -4.711
77 HG3 PRO 15 HG3 PRO 15 -0.264 -5.722 -4.570
78 HD2 PRO 15 HD2 PRO 15 1.063 -3.516 -3.589
79 HD3 PRO 15 HD3 PRO 15 1.929 -4.928 -4.258
80 H GLY 16 H GLY 16 -0.283 -1.993 -5.094
81 HA2 GLY 16 HA2 GLY 16 -1.244 0.175 -5.321
82 HA3 GLY 16 HA3 GLY 16 -1.339 -0.035 -7.063
83 H GLY 17 H GLY 17 -2.554 -2.855 -6.527
84 HA2 GLY 17 HA2 GLY 17 -5.339 -2.007 -6.537
85 HA3 GLY 17 HA3 GLY 17 -4.707 -3.663 -6.682
86 H THR 18 H THR 18 -6.450 -4.247 -5.153
87 HA THR 18 HA THR 18 -6.795 -3.289 -2.593
88 HB THR 18 HB THR 18 -8.206 -4.804 -3.892
89 HG1 THR 18 HG1 THR 18 -9.034 -4.977 -2.015
90 HG21 THR 18 HG21 THR 18 -7.924 -7.183 -3.899
91 HG22 THR 18 HG22 THR 18 -6.461 -7.092 -2.904
92 HG23 THR 18 HG23 THR 18 -6.454 -6.487 -4.573
93 H GLY 19 H GLY 19 -4.197 -5.437 -3.729
94 HA2 GLY 19 HA2 GLY 19 -3.282 -6.420 -1.250
95 HA3 GLY 19 HA3 GLY 19 -2.270 -6.165 -2.690
96 H CYS 20 H CYS 20 -3.298 -3.147 -2.439
97 HA CYS 20 HA CYS 20 -1.035 -2.339 -0.676
98 HB2 CYS 20 HB2 CYS 20 -1.287 -1.197 -2.906
99 HB3 CYS 20 HB3 CYS 20 -2.847 -0.605 -2.381
100 H ARG 21 H ARG 21 -1.562 -1.231 1.317
101 HA ARG 21 HA ARG 21 -4.491 -1.046 2.027
102 HB2 ARG 21 HB2 ARG 21 -2.080 -1.772 3.721
103 HB3 ARG 21 HB3 ARG 21 -3.711 -1.579 4.352
104 HG2 ARG 21 HG2 ARG 21 -2.900 -3.654 2.256
105 HG3 ARG 21 HG3 ARG 21 -2.974 -3.958 3.981
106 HD2 ARG 21 HD2 ARG 21 -5.351 -3.057 2.306
107 HD3 ARG 21 HD3 ARG 21 -4.989 -4.737 2.730
108 HE ARG 21 HE ARG 21 -4.979 -3.629 5.165
109 HH11 ARG 21 HH11 ARG 21 -7.402 -3.645 2.569
110 HH12 ARG 21 HH12 ARG 21 -8.740 -3.291 3.592
111 HH21 ARG 21 HH21 ARG 21 -6.716 -3.103 6.557
112 HH22 ARG 21 HH22 ARG 21 -8.352 -3.131 5.967
113 H CYS 22 H CYS 22 -3.342 1.189 0.740
114 HA CYS 22 HA CYS 22 -3.304 3.113 3.011
115 HB2 CYS 22 HB2 CYS 22 -1.565 3.909 0.804
116 HB3 CYS 22 HB3 CYS 22 -1.367 4.134 2.510
117 H THR 23 H THR 23 -4.933 2.266 0.204
118 HA THR 23 HA THR 23 -5.333 4.933 -0.883
119 HB THR 23 HB THR 23 -7.332 3.733 -1.983
120 HG1 THR 23 HG1 THR 23 -7.330 1.500 -1.847
121 HG21 THR 23 HG21 THR 23 -5.865 2.513 -3.559
122 HG22 THR 23 HG22 THR 23 -4.519 2.580 -2.410
123 HG23 THR 23 HG23 THR 23 -5.138 4.056 -3.104
124 H SER 24 H SER 24 -6.584 2.905 1.624
125 HA SER 24 HA SER 24 -7.875 3.024 3.332
126 HB2 SER 24 HB2 SER 24 -7.264 5.981 3.211
127 HB3 SER 24 HB3 SER 24 -7.837 5.096 4.635
128 HG SER 24 HG SER 24 -5.368 5.400 3.937
129 H ALA 25 H ALA 25 -9.248 4.144 0.550
130 HA ALA 25 HA ALA 25 -11.655 5.317 1.536
131 HB1 ALA 25 HB1 ALA 25 -12.541 4.804 -0.718
132 HB2 ALA 25 HB2 ALA 25 -10.916 5.501 -0.821
133 HB3 ALA 25 HB3 ALA 25 -11.151 3.747 -1.035
134 H ARG 26 H ARG 26 -13.831 4.318 1.441
135 HA ARG 26 HA ARG 26 -13.912 1.449 2.223
136 HB2 ARG 26 HB2 ARG 26 -15.462 3.837 3.332
137 HB3 ARG 26 HB3 ARG 26 -15.911 2.164 3.633
138 HG2 ARG 26 HG2 ARG 26 -13.185 3.282 4.381
139 HG3 ARG 26 HG3 ARG 26 -14.573 3.353 5.465
140 HD2 ARG 26 HD2 ARG 26 -14.643 1.025 5.790
141 HD3 ARG 26 HD3 ARG 26 -13.758 0.692 4.304
142 HE ARG 26 HE ARG 26 -11.752 1.085 5.274
143 HH11 ARG 26 HH11 ARG 26 -14.232 1.539 7.805
144 HH12 ARG 26 HH12 ARG 26 -13.070 1.925 9.032
145 HH21 ARG 26 HH21 ARG 26 -10.238 1.433 6.944
146 HH22 ARG 26 HH22 ARG 26 -10.783 1.761 8.544
Start of MODEL 40
1 H1 GLY 1 H GLY 1 8.712 4.836 -7.861
2 HA2 GLY 1 HA2 GLY 1 7.663 2.294 -6.736
3 HA3 GLY 1 HA3 GLY 1 8.211 3.651 -5.739
4 H SER 2 H SER 2 5.412 2.264 -6.386
5 HA SER 2 HA SER 2 3.815 4.362 -7.531
6 HB2 SER 2 HB2 SER 2 2.825 2.008 -5.900
7 HB3 SER 2 HB3 SER 2 2.026 2.839 -7.254
8 HG SER 2 HG SER 2 3.006 1.444 -8.515
9 H GLY 3 H GLY 3 5.336 5.197 -5.025
10 HA2 GLY 3 HA2 GLY 3 4.699 6.922 -3.567
11 HA3 GLY 3 HA3 GLY 3 3.030 6.385 -3.606
12 H CYS 4 H CYS 4 5.277 3.770 -3.197
13 HA CYS 4 HA CYS 4 5.402 4.003 -0.343
14 HB2 CYS 4 HB2 CYS 4 3.970 1.615 -1.527
15 HB3 CYS 4 HB3 CYS 4 4.545 1.792 0.139
16 H ASP 5 H ASP 5 6.825 2.736 0.608
17 HA ASP 5 HA ASP 5 8.856 1.357 -0.997
18 HB2 ASP 5 HB2 ASP 5 9.944 1.980 1.483
19 HB3 ASP 5 HB3 ASP 5 10.145 2.910 0.021
20 H ASP 6 H ASP 6 9.913 -0.277 0.115
21 HA ASP 6 HA ASP 6 8.443 -2.449 0.989
22 HB2 ASP 6 HB2 ASP 6 10.566 -3.460 1.300
23 HB3 ASP 6 HB3 ASP 6 10.795 -2.302 -0.006
24 H LYS 7 H LYS 7 9.762 0.147 2.886
25 HA LYS 7 HA LYS 7 9.581 -1.173 5.481
26 HB2 LYS 7 HB2 LYS 7 10.532 0.872 6.276
27 HB3 LYS 7 HB3 LYS 7 11.278 0.532 4.704
28 HG2 LYS 7 HG2 LYS 7 9.405 2.124 3.770
29 HG3 LYS 7 HG3 LYS 7 9.253 2.671 5.436
30 HD2 LYS 7 HD2 LYS 7 11.737 3.195 5.377
31 HD3 LYS 7 HD3 LYS 7 11.729 2.756 3.671
32 HE2 LYS 7 HE2 LYS 7 11.155 4.879 3.193
33 HE3 LYS 7 HE3 LYS 7 9.561 4.513 3.863
34 HZ1 LYS 7 HZ1 LYS 7 10.341 6.398 5.019
35 HZ2 LYS 7 HZ2 LYS 7 11.855 5.812 5.165
36 HZ3 LYS 7 HZ3 LYS 7 10.652 5.156 6.075
37 H CYS 8 H CYS 8 7.348 0.522 3.555
38 HA CYS 8 HA CYS 8 5.885 1.970 5.521
39 HB2 CYS 8 HB2 CYS 8 5.844 2.159 3.003
40 HB3 CYS 8 HB3 CYS 8 4.808 0.750 2.983
41 H GLY 9 H GLY 9 5.806 -1.557 5.155
42 HA2 GLY 9 HA2 GLY 9 4.479 -3.035 6.353
43 HA3 GLY 9 HA3 GLY 9 3.599 -1.672 7.094
44 H CYS 10 H CYS 10 4.324 -2.449 3.777
45 HA CYS 10 HA CYS 10 1.519 -2.618 2.851
46 HB2 CYS 10 HB2 CYS 10 3.989 -1.222 1.794
47 HB3 CYS 10 HB3 CYS 10 2.666 -1.647 0.715
48 H ALA 11 H ALA 11 1.504 -3.855 0.668
49 HA ALA 11 HA ALA 11 3.061 -6.253 0.739
50 HB1 ALA 11 HB1 ALA 11 0.872 -6.082 -0.442
51 HB2 ALA 11 HB2 ALA 11 1.573 -4.898 -1.577
52 HB3 ALA 11 HB3 ALA 11 2.159 -6.564 -1.571
53 H VAL 12 H VAL 12 4.951 -6.765 -0.679
54 HA VAL 12 HA VAL 12 6.315 -4.344 -1.740
55 HB VAL 12 HB VAL 12 7.676 -6.632 -0.302
56 HG11 VAL 12 HG11 VAL 12 9.617 -5.115 -0.322
57 HG12 VAL 12 HG12 VAL 12 9.091 -5.452 -1.970
58 HG13 VAL 12 HG13 VAL 12 8.690 -3.893 -1.214
59 HG21 VAL 12 HG21 VAL 12 6.432 -5.470 1.385
60 HG22 VAL 12 HG22 VAL 12 8.079 -4.861 1.480
61 HG23 VAL 12 HG23 VAL 12 6.815 -3.879 0.683
62 HA PRO 13 HA PRO 13 6.965 -3.560 -3.598
63 HB2 PRO 13 HB2 PRO 13 6.171 -3.106 -6.154
64 HB3 PRO 13 HB3 PRO 13 7.788 -3.752 -5.754
65 HG2 PRO 13 HG2 PRO 13 5.331 -5.341 -6.568
66 HG3 PRO 13 HG3 PRO 13 6.978 -5.446 -7.254
67 HD2 PRO 13 HD2 PRO 13 6.100 -7.154 -5.333
68 HD3 PRO 13 HD3 PRO 13 7.793 -6.567 -5.332
69 H CYS 14 H CYS 14 5.287 -1.839 -3.726
70 HA CYS 14 HA CYS 14 2.642 -2.897 -2.986
71 HB2 CYS 14 HB2 CYS 14 3.612 -1.389 -1.536
72 HB3 CYS 14 HB3 CYS 14 3.963 -0.204 -2.783
73 HA PRO 15 HA PRO 15 1.296 -2.060 -7.195
74 HB2 PRO 15 HB2 PRO 15 -1.446 -2.426 -6.923
75 HB3 PRO 15 HB3 PRO 15 -0.230 -3.721 -7.100
76 HG2 PRO 15 HG2 PRO 15 -1.490 -2.681 -4.574
77 HG3 PRO 15 HG3 PRO 15 -1.174 -4.386 -5.045
78 HD2 PRO 15 HD2 PRO 15 0.446 -3.008 -3.340
79 HD3 PRO 15 HD3 PRO 15 1.091 -4.212 -4.482
80 H GLY 16 H GLY 16 -0.177 -0.383 -4.445
81 HA2 GLY 16 HA2 GLY 16 -0.271 1.984 -4.362
82 HA3 GLY 16 HA3 GLY 16 -0.267 2.083 -6.106
83 H GLY 17 H GLY 17 -2.704 -0.223 -5.142
84 HA2 GLY 17 HA2 GLY 17 -4.743 1.873 -4.659
85 HA3 GLY 17 HA3 GLY 17 -4.858 0.903 -6.131
86 H THR 18 H THR 18 -5.765 -1.065 -6.087
87 HA THR 18 HA THR 18 -7.392 -1.901 -4.064
88 HB THR 18 HB THR 18 -7.216 -4.184 -5.288
89 HG1 THR 18 HG1 THR 18 -5.152 -3.966 -6.252
90 HG21 THR 18 HG21 THR 18 -8.900 -2.407 -5.841
91 HG22 THR 18 HG22 THR 18 -8.392 -3.339 -7.254
92 HG23 THR 18 HG23 THR 18 -7.755 -1.704 -6.992
93 H GLY 19 H GLY 19 -4.132 -3.221 -4.730
94 HA2 GLY 19 HA2 GLY 19 -4.039 -4.768 -2.317
95 HA3 GLY 19 HA3 GLY 19 -2.740 -4.508 -3.477
96 H CYS 20 H CYS 20 -4.207 -1.548 -2.121
97 HA CYS 20 HA CYS 20 -1.820 -1.382 -0.368
98 HB2 CYS 20 HB2 CYS 20 -1.774 0.256 -2.234
99 HB3 CYS 20 HB3 CYS 20 -3.187 1.010 -1.476
100 H ARG 21 H ARG 21 -2.296 -1.921 1.562
101 HA ARG 21 HA ARG 21 -4.800 -1.191 2.881
102 HB2 ARG 21 HB2 ARG 21 -2.240 -2.456 3.954
103 HB3 ARG 21 HB3 ARG 21 -3.684 -2.178 4.894
104 HG2 ARG 21 HG2 ARG 21 -3.598 -4.019 2.445
105 HG3 ARG 21 HG3 ARG 21 -3.391 -4.522 4.131
106 HD2 ARG 21 HD2 ARG 21 -5.637 -3.371 4.600
107 HD3 ARG 21 HD3 ARG 21 -5.876 -3.366 2.854
108 HE ARG 21 HE ARG 21 -5.290 -6.010 3.355
109 HH11 ARG 21 HH11 ARG 21 -7.712 -3.736 4.656
110 HH12 ARG 21 HH12 ARG 21 -8.676 -4.968 5.390
111 HH21 ARG 21 HH21 ARG 21 -6.626 -7.645 4.292
112 HH22 ARG 21 HH22 ARG 21 -8.056 -7.200 5.194
113 H CYS 22 H CYS 22 -4.207 1.019 2.109
114 HA CYS 22 HA CYS 22 -3.193 2.751 4.230
115 HB2 CYS 22 HB2 CYS 22 -2.108 3.203 1.447
116 HB3 CYS 22 HB3 CYS 22 -1.856 4.226 2.845
117 H THR 23 H THR 23 -5.269 2.022 1.462
118 HA THR 23 HA THR 23 -5.961 4.621 0.649
119 HB THR 23 HB THR 23 -8.017 3.331 -0.184
120 HG1 THR 23 HG1 THR 23 -8.219 1.287 0.364
121 HG21 THR 23 HG21 THR 23 -6.023 3.612 -1.622
122 HG22 THR 23 HG22 THR 23 -6.731 2.001 -1.838
123 HG23 THR 23 HG23 THR 23 -5.259 2.195 -0.878
124 H SER 24 H SER 24 -7.132 2.589 3.334
125 HA SER 24 HA SER 24 -8.428 2.902 5.066
126 HB2 SER 24 HB2 SER 24 -7.994 5.849 4.582
127 HB3 SER 24 HB3 SER 24 -8.900 5.187 5.953
128 HG SER 24 HG SER 24 -6.790 5.460 6.581
129 H ALA 25 H ALA 25 -9.525 4.344 2.105
130 HA ALA 25 HA ALA 25 -12.283 4.634 2.715
131 HB1 ALA 25 HB1 ALA 25 -12.507 4.754 0.274
132 HB2 ALA 25 HB2 ALA 25 -10.986 5.560 0.706
133 HB3 ALA 25 HB3 ALA 25 -10.954 3.920 0.045
134 H ARG 26 H ARG 26 -13.978 3.155 1.563
135 HA ARG 26 HA ARG 26 -13.203 0.325 1.323
136 HB2 ARG 26 HB2 ARG 26 -15.393 1.342 3.159
137 HB3 ARG 26 HB3 ARG 26 -15.242 -0.329 2.638
138 HG2 ARG 26 HG2 ARG 26 -13.133 1.136 4.302
139 HG3 ARG 26 HG3 ARG 26 -14.463 0.199 4.952
140 HD2 ARG 26 HD2 ARG 26 -12.583 -1.197 5.063
141 HD3 ARG 26 HD3 ARG 26 -13.641 -1.842 3.799
142 HE ARG 26 HE ARG 26 -11.776 -0.075 2.613
143 HH11 ARG 26 HH11 ARG 26 -11.402 -3.071 4.461
144 HH12 ARG 26 HH12 ARG 26 -10.413 -3.863 3.291
145 HH21 ARG 26 HH21 ARG 26 -10.078 -0.929 1.298
146 HH22 ARG 26 HH22 ARG 26 -9.538 -2.560 1.533