Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630913 | 6aza RC | 30342 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 3.142 -0.021 -0.986
3 HB2 ARG 1 HB2 ARG 1 2.249 -1.162 -3.031
4 HB3 ARG 1 HB3 ARG 1 2.130 -2.114 -1.557
5 HG2 ARG 1 HG2 ARG 1 -0.204 -0.458 -2.359
6 HG3 ARG 1 HG3 ARG 1 0.129 -1.945 -3.251
7 HD2 ARG 1 HD2 ARG 1 0.351 -2.929 -0.805
8 HD3 ARG 1 HD3 ARG 1 -0.693 -1.562 -0.419
9 HE ARG 1 HE ARG 1 -1.846 -2.820 -2.587
10 HH11 ARG 1 HH11 ARG 1 -1.002 -3.650 0.687
11 HH12 ARG 1 HH12 ARG 1 -2.280 -4.807 0.861
12 HH21 ARG 1 HH21 ARG 1 -3.532 -4.341 -2.370
13 HH22 ARG 1 HH22 ARG 1 -3.718 -5.200 -0.879
14 H CYS 2 H CYS 2 2.118 2.404 -0.443
15 HA CYS 2 HA CYS 2 1.061 3.494 -2.947
16 HB2 CYS 2 HB2 CYS 2 0.119 4.029 -0.588
17 HB3 CYS 2 HB3 CYS 2 1.518 5.087 -0.439
18 H LYS 3 H LYS 3 3.837 3.679 -0.799
19 HA LYS 3 HA LYS 3 5.142 5.851 -2.025
20 HB2 LYS 3 HB2 LYS 3 5.687 4.805 0.215
21 HB3 LYS 3 HB3 LYS 3 6.492 3.515 -0.669
22 HG2 LYS 3 HG2 LYS 3 7.956 5.243 -1.713
23 HG3 LYS 3 HG3 LYS 3 7.227 6.432 -0.631
24 HD2 LYS 3 HD2 LYS 3 9.113 5.825 0.551
25 HD3 LYS 3 HD3 LYS 3 7.904 4.734 1.232
26 HE2 LYS 3 HE2 LYS 3 8.692 2.910 -0.047
27 HE3 LYS 3 HE3 LYS 3 9.661 3.958 -1.082
28 HZ1 LYS 3 HZ1 LYS 3 10.198 3.778 1.814
29 HZ2 LYS 3 HZ2 LYS 3 11.236 4.268 0.572
30 HZ3 LYS 3 HZ3 LYS 3 10.836 2.634 0.744
31 H THR 4 H THR 4 6.347 6.028 -3.817
32 HA THR 4 HA THR 4 7.057 3.557 -5.257
33 HB THR 4 HB THR 4 6.207 6.146 -6.566
34 HG1 THR 4 HG1 THR 4 4.759 3.701 -6.316
35 HG21 THR 4 HG21 THR 4 5.928 4.004 -8.327
36 HG22 THR 4 HG22 THR 4 7.473 3.726 -7.522
37 HG23 THR 4 HG23 THR 4 7.178 5.247 -8.364
38 H CYS 5 H CYS 5 9.016 3.532 -6.345
39 HA CYS 5 HA CYS 5 10.863 5.694 -5.599
40 HB2 CYS 5 HB2 CYS 5 11.161 2.758 -5.977
41 HB3 CYS 5 HB3 CYS 5 12.534 3.771 -6.412
42 H SER 6 H SER 6 11.513 7.046 -7.125
43 HA SER 6 HA SER 6 10.733 6.852 -9.812
44 HB2 SER 6 HB2 SER 6 13.120 8.484 -9.031
45 HB3 SER 6 HB3 SER 6 11.799 8.889 -10.126
46 HG SER 6 HG SER 6 10.739 9.697 -8.506
47 H LYS 7 H LYS 7 12.370 7.009 -11.659
48 HA LYS 7 HA LYS 7 13.818 4.567 -11.763
49 HB2 LYS 7 HB2 LYS 7 13.441 6.891 -13.610
50 HB3 LYS 7 HB3 LYS 7 14.702 5.715 -13.959
51 HG2 LYS 7 HG2 LYS 7 12.808 5.037 -15.180
52 HG3 LYS 7 HG3 LYS 7 12.922 3.937 -13.804
53 HD2 LYS 7 HD2 LYS 7 11.079 4.841 -12.757
54 HD3 LYS 7 HD3 LYS 7 11.255 6.401 -13.564
55 HE2 LYS 7 HE2 LYS 7 10.377 5.556 -15.591
56 HE3 LYS 7 HE3 LYS 7 10.511 3.887 -15.039
57 HZ1 LYS 7 HZ1 LYS 7 8.653 4.063 -13.752
58 HZ2 LYS 7 HZ2 LYS 7 8.234 5.135 -14.991
59 HZ3 LYS 7 HZ3 LYS 7 8.814 5.731 -13.518
60 H GLY 8 H GLY 8 15.397 4.594 -10.157
61 HA2 GLY 8 HA2 GLY 8 17.796 4.739 -9.992
62 HA3 GLY 8 HA3 GLY 8 17.713 6.302 -10.791
63 H ARG 9 H ARG 9 15.388 7.086 -9.092
64 HA ARG 9 HA ARG 9 16.910 7.668 -6.638
65 HB2 ARG 9 HB2 ARG 9 14.985 9.322 -8.241
66 HB3 ARG 9 HB3 ARG 9 15.251 9.665 -6.537
67 HG2 ARG 9 HG2 ARG 9 17.490 10.241 -6.882
68 HG3 ARG 9 HG3 ARG 9 17.531 9.477 -8.473
69 HD2 ARG 9 HD2 ARG 9 16.282 11.196 -9.456
70 HD3 ARG 9 HD3 ARG 9 15.716 11.795 -7.897
71 HE ARG 9 HE ARG 9 18.503 12.032 -7.979
72 HH11 ARG 9 HH11 ARG 9 15.677 13.377 -9.503
73 HH12 ARG 9 HH12 ARG 9 16.417 14.911 -9.820
74 HH21 ARG 9 HH21 ARG 9 19.489 14.047 -8.391
75 HH22 ARG 9 HH22 ARG 9 18.586 15.290 -9.188
76 H CYS 10 H CYS 10 15.760 7.766 -4.650
77 HA CYS 10 HA CYS 10 13.136 6.432 -4.672
78 HB2 CYS 10 HB2 CYS 10 15.628 5.661 -3.256
79 HB3 CYS 10 HB3 CYS 10 14.129 5.526 -2.342
80 H ARG 11 H ARG 11 11.730 7.899 -3.970
81 HA ARG 11 HA ARG 11 12.284 9.268 -1.447
82 HB2 ARG 11 HB2 ARG 11 11.823 10.566 -4.083
83 HB3 ARG 11 HB3 ARG 11 11.046 11.289 -2.681
84 HG2 ARG 11 HG2 ARG 11 12.996 12.443 -2.646
85 HG3 ARG 11 HG3 ARG 11 13.485 11.053 -1.674
86 HD2 ARG 11 HD2 ARG 11 15.217 11.096 -3.154
87 HD3 ARG 11 HD3 ARG 11 14.099 10.071 -4.053
88 HE ARG 11 HE ARG 11 13.859 11.742 -5.607
89 HH11 ARG 11 HH11 ARG 11 15.432 13.009 -2.772
90 HH12 ARG 11 HH12 ARG 11 15.828 14.526 -3.509
91 HH21 ARG 11 HH21 ARG 11 14.374 13.736 -6.589
92 HH22 ARG 11 HH22 ARG 11 15.225 14.939 -5.681
93 HA PRO 12 HA PRO 12 8.103 8.386 -0.458
94 HB2 PRO 12 HB2 PRO 12 7.353 10.586 0.946
95 HB3 PRO 12 HB3 PRO 12 8.474 9.376 1.582
96 HG2 PRO 12 HG2 PRO 12 9.063 12.032 0.333
97 HG3 PRO 12 HG3 PRO 12 9.789 11.284 1.768
98 HD2 PRO 12 HD2 PRO 12 11.003 11.276 -0.653
99 HD3 PRO 12 HD3 PRO 12 11.195 9.954 0.517
100 H LYS 13 H LYS 13 5.851 9.096 -0.699
101 HA LYS 13 HA LYS 13 5.469 10.437 -3.228
102 HB2 LYS 13 HB2 LYS 13 3.786 8.825 -1.379
103 HB3 LYS 13 HB3 LYS 13 2.961 9.951 -2.448
104 HG2 LYS 13 HG2 LYS 13 4.491 8.800 -4.265
105 HG3 LYS 13 HG3 LYS 13 4.475 7.482 -3.091
106 HD2 LYS 13 HD2 LYS 13 2.194 7.156 -3.292
107 HD3 LYS 13 HD3 LYS 13 1.909 8.795 -3.881
108 HE2 LYS 13 HE2 LYS 13 3.497 6.821 -5.485
109 HE3 LYS 13 HE3 LYS 13 1.735 6.835 -5.546
110 HZ1 LYS 13 HZ1 LYS 13 2.601 9.462 -5.853
111 HZ2 LYS 13 HZ2 LYS 13 1.859 8.474 -7.007
112 HZ3 LYS 13 HZ3 LYS 13 3.546 8.514 -6.888
113 HA PRO 14 HA PRO 14 4.318 14.422 -1.796
114 HB2 PRO 14 HB2 PRO 14 2.323 15.081 -3.516
115 HB3 PRO 14 HB3 PRO 14 4.023 15.012 -3.997
116 HG2 PRO 14 HG2 PRO 14 1.860 12.980 -4.389
117 HG3 PRO 14 HG3 PRO 14 3.108 13.519 -5.527
118 HD2 PRO 14 HD2 PRO 14 3.311 11.208 -4.131
119 HD3 PRO 14 HD3 PRO 14 4.727 12.178 -4.583
120 H ASN 15 H ASN 15 1.607 12.202 -2.349
121 HA ASN 15 HA ASN 15 0.093 13.576 -0.238
122 HB2 ASN 15 HB2 ASN 15 -0.823 11.650 -2.383
123 HB3 ASN 15 HB3 ASN 15 -1.867 12.315 -1.131
124 HD21 ASN 15 HD21 ASN 15 -2.611 12.718 -3.646
125 HD22 ASN 15 HD22 ASN 15 -2.346 14.356 -4.128
126 H CYS 16 H CYS 16 1.588 10.565 -1.126
127 HA CYS 16 HA CYS 16 0.520 9.259 1.274
128 HB2 CYS 16 HB2 CYS 16 1.663 8.282 -1.301
129 HB3 CYS 16 HB3 CYS 16 1.876 7.277 0.129
130 H GLY 17 H GLY 17 1.900 10.683 2.598
131 HA2 GLY 17 HA2 GLY 17 4.763 10.256 2.461
132 HA3 GLY 17 HA3 GLY 17 3.911 11.269 3.617
133 HN1 NH2 18 H1 NH2 18 4.841 7.968 2.835
134 HN2 NH2 18 H2 NH2 18 4.698 7.302 4.401
Start of MODEL 2
1 H1 ARG 1 H ARG 1 0.909 -0.220 -0.570
2 HA ARG 1 HA ARG 1 3.369 1.206 0.116
3 HB2 ARG 1 HB2 ARG 1 4.412 -0.255 -1.603
4 HB3 ARG 1 HB3 ARG 1 3.636 -1.155 -0.306
5 HG2 ARG 1 HG2 ARG 1 1.862 -1.826 -1.670
6 HG3 ARG 1 HG3 ARG 1 2.218 -0.595 -2.884
7 HD2 ARG 1 HD2 ARG 1 2.896 -2.808 -3.651
8 HD3 ARG 1 HD3 ARG 1 4.292 -1.750 -3.453
9 HE ARG 1 HE ARG 1 5.070 -3.141 -1.809
10 HH11 ARG 1 HH11 ARG 1 1.723 -3.866 -2.435
11 HH12 ARG 1 HH12 ARG 1 1.710 -5.288 -1.442
12 HH21 ARG 1 HH21 ARG 1 5.067 -5.009 -0.500
13 HH22 ARG 1 HH22 ARG 1 3.612 -5.935 -0.341
14 H CYS 2 H CYS 2 1.287 2.810 -0.835
15 HA CYS 2 HA CYS 2 1.178 3.305 -3.550
16 HB2 CYS 2 HB2 CYS 2 0.611 5.656 -2.918
17 HB3 CYS 2 HB3 CYS 2 -0.312 4.442 -2.037
18 H LYS 3 H LYS 3 3.618 4.272 -1.214
19 HA LYS 3 HA LYS 3 5.015 6.139 -2.748
20 HB2 LYS 3 HB2 LYS 3 6.938 5.631 -1.301
21 HB3 LYS 3 HB3 LYS 3 5.455 5.811 -0.374
22 HG2 LYS 3 HG2 LYS 3 5.288 3.261 -0.498
23 HG3 LYS 3 HG3 LYS 3 6.978 3.311 -1.005
24 HD2 LYS 3 HD2 LYS 3 7.603 4.437 1.037
25 HD3 LYS 3 HD3 LYS 3 5.912 4.555 1.529
26 HE2 LYS 3 HE2 LYS 3 6.779 2.735 2.737
27 HE3 LYS 3 HE3 LYS 3 5.866 2.014 1.413
28 HZ1 LYS 3 HZ1 LYS 3 8.755 2.075 1.862
29 HZ2 LYS 3 HZ2 LYS 3 8.210 2.120 0.262
30 HZ3 LYS 3 HZ3 LYS 3 7.782 0.827 1.266
31 H THR 4 H THR 4 6.396 6.005 -4.412
32 HA THR 4 HA THR 4 7.411 3.355 -5.187
33 HB THR 4 HB THR 4 5.454 3.969 -6.608
34 HG1 THR 4 HG1 THR 4 6.819 2.641 -7.661
35 HG21 THR 4 HG21 THR 4 6.245 6.486 -6.524
36 HG22 THR 4 HG22 THR 4 5.373 5.852 -7.919
37 HG23 THR 4 HG23 THR 4 7.127 6.020 -7.978
38 H CYS 5 H CYS 5 9.325 3.402 -6.519
39 HA CYS 5 HA CYS 5 10.821 5.934 -6.353
40 HB2 CYS 5 HB2 CYS 5 11.941 3.165 -5.864
41 HB3 CYS 5 HB3 CYS 5 12.849 4.673 -5.822
42 H SER 6 H SER 6 11.469 6.625 -8.273
43 HA SER 6 HA SER 6 11.212 5.004 -10.612
44 HB2 SER 6 HB2 SER 6 11.004 7.628 -10.273
45 HB3 SER 6 HB3 SER 6 12.722 7.581 -10.673
46 HG SER 6 HG SER 6 10.534 6.699 -12.237
47 H LYS 7 H LYS 7 13.068 4.990 -12.252
48 HA LYS 7 HA LYS 7 15.181 3.456 -11.199
49 HB2 LYS 7 HB2 LYS 7 16.181 3.739 -13.500
50 HB3 LYS 7 HB3 LYS 7 14.549 3.085 -13.463
51 HG2 LYS 7 HG2 LYS 7 13.718 4.797 -14.621
52 HG3 LYS 7 HG3 LYS 7 14.610 5.989 -13.673
53 HD2 LYS 7 HD2 LYS 7 16.611 5.565 -14.986
54 HD3 LYS 7 HD3 LYS 7 15.771 4.307 -15.896
55 HE2 LYS 7 HE2 LYS 7 15.391 5.971 -17.363
56 HE3 LYS 7 HE3 LYS 7 14.087 6.391 -16.253
57 HZ1 LYS 7 HZ1 LYS 7 15.164 8.216 -15.537
58 HZ2 LYS 7 HZ2 LYS 7 15.954 8.108 -17.029
59 HZ3 LYS 7 HZ3 LYS 7 16.698 7.506 -15.634
60 H GLY 8 H GLY 8 16.430 4.460 -9.686
61 HA2 GLY 8 HA2 GLY 8 18.576 5.559 -9.472
62 HA3 GLY 8 HA3 GLY 8 18.034 6.735 -10.659
63 H ARG 9 H ARG 9 15.363 6.892 -9.337
64 HA ARG 9 HA ARG 9 16.183 8.547 -7.040
65 HB2 ARG 9 HB2 ARG 9 14.060 8.951 -9.130
66 HB3 ARG 9 HB3 ARG 9 13.946 9.747 -7.566
67 HG2 ARG 9 HG2 ARG 9 15.815 11.061 -7.952
68 HG3 ARG 9 HG3 ARG 9 16.430 9.988 -9.210
69 HD2 ARG 9 HD2 ARG 9 15.382 11.156 -10.781
70 HD3 ARG 9 HD3 ARG 9 13.840 10.952 -9.951
71 HE ARG 9 HE ARG 9 15.543 13.272 -9.908
72 HH11 ARG 9 HH11 ARG 9 13.022 11.525 -8.261
73 HH12 ARG 9 HH12 ARG 9 12.427 12.917 -7.420
74 HH21 ARG 9 HH21 ARG 9 14.769 15.112 -8.805
75 HH22 ARG 9 HH22 ARG 9 13.421 14.958 -7.731
76 H CYS 10 H CYS 10 15.066 8.383 -5.135
77 HA CYS 10 HA CYS 10 12.698 6.702 -4.986
78 HB2 CYS 10 HB2 CYS 10 14.658 5.164 -4.750
79 HB3 CYS 10 HB3 CYS 10 15.144 6.073 -3.324
80 H ARG 11 H ARG 11 11.334 8.018 -3.974
81 HA ARG 11 HA ARG 11 12.005 9.005 -1.337
82 HB2 ARG 11 HB2 ARG 11 11.681 10.787 -3.703
83 HB3 ARG 11 HB3 ARG 11 10.994 11.316 -2.174
84 HG2 ARG 11 HG2 ARG 11 13.218 11.028 -1.126
85 HG3 ARG 11 HG3 ARG 11 13.874 10.636 -2.718
86 HD2 ARG 11 HD2 ARG 11 13.511 12.794 -3.529
87 HD3 ARG 11 HD3 ARG 11 12.361 13.180 -2.250
88 HE ARG 11 HE ARG 11 15.218 13.420 -2.137
89 HH11 ARG 11 HH11 ARG 11 12.313 12.993 -0.266
90 HH12 ARG 11 HH12 ARG 11 12.997 13.644 1.186
91 HH21 ARG 11 HH21 ARG 11 16.129 14.282 -0.231
92 HH22 ARG 11 HH22 ARG 11 15.167 14.379 1.204
93 HA PRO 12 HA PRO 12 7.742 8.341 -0.543
94 HB2 PRO 12 HB2 PRO 12 7.158 10.318 1.223
95 HB3 PRO 12 HB3 PRO 12 8.154 8.919 1.642
96 HG2 PRO 12 HG2 PRO 12 8.999 11.690 0.886
97 HG3 PRO 12 HG3 PRO 12 9.627 10.640 2.170
98 HD2 PRO 12 HD2 PRO 12 10.887 10.947 -0.207
99 HD3 PRO 12 HD3 PRO 12 10.938 9.428 0.711
100 H LYS 13 H LYS 13 5.602 9.124 -0.881
101 HA LYS 13 HA LYS 13 5.435 11.084 -2.996
102 HB2 LYS 13 HB2 LYS 13 3.809 8.901 -1.997
103 HB3 LYS 13 HB3 LYS 13 2.840 10.342 -2.272
104 HG2 LYS 13 HG2 LYS 13 3.068 10.235 -4.510
105 HG3 LYS 13 HG3 LYS 13 4.724 9.632 -4.422
106 HD2 LYS 13 HD2 LYS 13 3.376 7.521 -3.408
107 HD3 LYS 13 HD3 LYS 13 2.173 8.163 -4.528
108 HE2 LYS 13 HE2 LYS 13 4.407 8.261 -6.058
109 HE3 LYS 13 HE3 LYS 13 4.752 6.850 -5.059
110 HZ1 LYS 13 HZ1 LYS 13 2.073 6.884 -6.092
111 HZ2 LYS 13 HZ2 LYS 13 3.227 5.647 -6.121
112 HZ3 LYS 13 HZ3 LYS 13 3.248 6.849 -7.309
113 HA PRO 14 HA PRO 14 4.138 14.571 -0.671
114 HB2 PRO 14 HB2 PRO 14 2.297 15.692 -2.322
115 HB3 PRO 14 HB3 PRO 14 4.033 15.724 -2.657
116 HG2 PRO 14 HG2 PRO 14 1.926 13.901 -3.754
117 HG3 PRO 14 HG3 PRO 14 3.264 14.701 -4.598
118 HD2 PRO 14 HD2 PRO 14 3.359 12.101 -3.847
119 HD3 PRO 14 HD3 PRO 14 4.804 13.130 -3.904
120 H ASN 15 H ASN 15 1.560 12.520 -1.950
121 HA ASN 15 HA ASN 15 -0.324 13.502 0.038
122 HB2 ASN 15 HB2 ASN 15 -0.774 11.279 -1.955
123 HB3 ASN 15 HB3 ASN 15 -1.989 12.241 -1.118
124 HD21 ASN 15 HD21 ASN 15 -0.582 11.782 -3.999
125 HD22 ASN 15 HD22 ASN 15 -0.769 13.354 -4.689
126 H CYS 16 H CYS 16 1.733 10.765 -0.562
127 HA CYS 16 HA CYS 16 0.489 9.078 1.412
128 HB2 CYS 16 HB2 CYS 16 3.071 8.850 -0.139
129 HB3 CYS 16 HB3 CYS 16 2.528 7.639 1.019
130 H GLY 17 H GLY 17 0.564 9.909 3.436
131 HA2 GLY 17 HA2 GLY 17 3.092 11.000 4.435
132 HA3 GLY 17 HA3 GLY 17 1.527 11.121 5.227
133 HN1 NH2 18 H1 NH2 18 3.859 8.623 4.208
134 HN2 NH2 18 H2 NH2 18 3.748 7.639 5.600
Start of MODEL 3
1 H1 ARG 1 H ARG 1 -1.333 7.475 -3.752
2 HA ARG 1 HA ARG 1 -1.631 4.674 -3.135
3 HB2 ARG 1 HB2 ARG 1 -0.873 3.941 -5.412
4 HB3 ARG 1 HB3 ARG 1 -2.511 4.581 -5.356
5 HG2 ARG 1 HG2 ARG 1 -1.581 6.774 -6.137
6 HG3 ARG 1 HG3 ARG 1 -0.042 5.948 -6.390
7 HD2 ARG 1 HD2 ARG 1 -0.957 4.542 -8.051
8 HD3 ARG 1 HD3 ARG 1 -2.610 4.984 -7.620
9 HE ARG 1 HE ARG 1 -1.479 7.334 -8.394
10 HH11 ARG 1 HH11 ARG 1 -1.813 4.192 -9.857
11 HH12 ARG 1 HH12 ARG 1 -1.857 4.806 -11.475
12 HH21 ARG 1 HH21 ARG 1 -1.537 8.155 -10.522
13 HH22 ARG 1 HH22 ARG 1 -1.700 7.060 -11.853
14 H CYS 2 H CYS 2 0.215 3.974 -2.284
15 HA CYS 2 HA CYS 2 2.583 5.639 -2.473
16 HB2 CYS 2 HB2 CYS 2 2.135 3.097 -0.894
17 HB3 CYS 2 HB3 CYS 2 3.487 4.209 -0.715
18 H LYS 3 H LYS 3 2.737 5.079 -4.830
19 HA LYS 3 HA LYS 3 3.439 2.489 -5.693
20 HB2 LYS 3 HB2 LYS 3 3.831 5.238 -6.842
21 HB3 LYS 3 HB3 LYS 3 4.512 3.825 -7.638
22 HG2 LYS 3 HG2 LYS 3 2.341 2.873 -7.951
23 HG3 LYS 3 HG3 LYS 3 1.594 4.132 -6.967
24 HD2 LYS 3 HD2 LYS 3 1.240 4.594 -9.322
25 HD3 LYS 3 HD3 LYS 3 2.302 5.815 -8.619
26 HE2 LYS 3 HE2 LYS 3 4.249 4.599 -9.516
27 HE3 LYS 3 HE3 LYS 3 3.158 3.432 -10.259
28 HZ1 LYS 3 HZ1 LYS 3 2.735 4.809 -11.940
29 HZ2 LYS 3 HZ2 LYS 3 4.079 5.698 -11.428
30 HZ3 LYS 3 HZ3 LYS 3 2.527 6.151 -10.929
31 H THR 4 H THR 4 5.573 1.866 -6.581
32 HA THR 4 HA THR 4 7.594 2.165 -4.588
33 HB THR 4 HB THR 4 8.991 0.774 -6.108
34 HG1 THR 4 HG1 THR 4 6.697 0.642 -7.780
35 HG21 THR 4 HG21 THR 4 6.254 -0.447 -5.947
36 HG22 THR 4 HG22 THR 4 7.190 -0.114 -4.490
37 HG23 THR 4 HG23 THR 4 7.825 -1.213 -5.713
38 H CYS 5 H CYS 5 9.717 3.002 -4.869
39 HA CYS 5 HA CYS 5 9.828 5.537 -6.063
40 HB2 CYS 5 HB2 CYS 5 12.007 3.703 -5.062
41 HB3 CYS 5 HB3 CYS 5 12.316 5.341 -5.630
42 H SER 6 H SER 6 11.400 6.245 -7.720
43 HA SER 6 HA SER 6 11.146 4.575 -10.071
44 HB2 SER 6 HB2 SER 6 12.010 7.405 -9.566
45 HB3 SER 6 HB3 SER 6 12.380 6.633 -11.109
46 HG SER 6 HG SER 6 10.059 7.677 -10.260
47 H LYS 7 H LYS 7 13.092 4.498 -11.589
48 HA LYS 7 HA LYS 7 15.193 3.107 -10.264
49 HB2 LYS 7 HB2 LYS 7 14.682 3.928 -13.107
50 HB3 LYS 7 HB3 LYS 7 16.227 3.227 -12.643
51 HG2 LYS 7 HG2 LYS 7 15.085 1.228 -11.837
52 HG3 LYS 7 HG3 LYS 7 13.531 1.932 -12.286
53 HD2 LYS 7 HD2 LYS 7 14.284 2.027 -14.633
54 HD3 LYS 7 HD3 LYS 7 15.799 1.256 -14.161
55 HE2 LYS 7 HE2 LYS 7 14.450 -0.482 -14.994
56 HE3 LYS 7 HE3 LYS 7 14.374 -0.634 -13.239
57 HZ1 LYS 7 HZ1 LYS 7 12.270 0.774 -13.447
58 HZ2 LYS 7 HZ2 LYS 7 12.182 -0.847 -13.919
59 HZ3 LYS 7 HZ3 LYS 7 12.304 0.367 -15.089
60 H GLY 8 H GLY 8 16.502 4.275 -8.969
61 HA2 GLY 8 HA2 GLY 8 18.527 5.499 -8.790
62 HA3 GLY 8 HA3 GLY 8 18.105 6.364 -10.260
63 H ARG 9 H ARG 9 15.338 6.819 -9.238
64 HA ARG 9 HA ARG 9 15.998 8.975 -7.340
65 HB2 ARG 9 HB2 ARG 9 14.005 8.851 -9.593
66 HB3 ARG 9 HB3 ARG 9 13.854 10.028 -8.296
67 HG2 ARG 9 HG2 ARG 9 15.820 11.130 -8.902
68 HG3 ARG 9 HG3 ARG 9 16.383 9.771 -9.877
69 HD2 ARG 9 HD2 ARG 9 15.655 11.413 -11.410
70 HD3 ARG 9 HD3 ARG 9 14.388 10.187 -11.373
71 HE ARG 9 HE ARG 9 13.868 12.287 -9.524
72 HH11 ARG 9 HH11 ARG 9 13.720 11.441 -12.898
73 HH12 ARG 9 HH12 ARG 9 12.433 12.545 -13.253
74 HH21 ARG 9 HH21 ARG 9 12.174 13.746 -9.979
75 HH22 ARG 9 HH22 ARG 9 11.555 13.857 -11.591
76 H CYS 10 H CYS 10 15.160 8.776 -5.378
77 HA CYS 10 HA CYS 10 12.549 7.500 -5.041
78 HB2 CYS 10 HB2 CYS 10 14.233 5.738 -4.662
79 HB3 CYS 10 HB3 CYS 10 14.997 6.740 -3.432
80 H ARG 11 H ARG 11 11.373 9.064 -4.150
81 HA ARG 11 HA ARG 11 12.405 10.385 -1.748
82 HB2 ARG 11 HB2 ARG 11 11.541 11.696 -4.279
83 HB3 ARG 11 HB3 ARG 11 11.082 12.463 -2.765
84 HG2 ARG 11 HG2 ARG 11 13.064 13.506 -3.129
85 HG3 ARG 11 HG3 ARG 11 13.640 12.109 -2.219
86 HD2 ARG 11 HD2 ARG 11 14.513 11.083 -4.090
87 HD3 ARG 11 HD3 ARG 11 13.432 11.936 -5.190
88 HE ARG 11 HE ARG 11 14.956 13.643 -5.315
89 HH11 ARG 11 HH11 ARG 11 15.749 11.589 -2.619
90 HH12 ARG 11 HH12 ARG 11 17.271 12.360 -2.312
91 HH21 ARG 11 HH21 ARG 11 16.955 14.665 -4.921
92 HH22 ARG 11 HH22 ARG 11 17.955 14.111 -3.622
93 HA PRO 12 HA PRO 12 8.418 9.711 -0.047
94 HB2 PRO 12 HB2 PRO 12 8.024 11.950 1.437
95 HB3 PRO 12 HB3 PRO 12 9.180 10.690 1.887
96 HG2 PRO 12 HG2 PRO 12 9.669 13.309 0.524
97 HG3 PRO 12 HG3 PRO 12 10.595 12.533 1.821
98 HD2 PRO 12 HD2 PRO 12 11.373 12.456 -0.772
99 HD3 PRO 12 HD3 PRO 12 11.702 11.131 0.365
100 H LYS 13 H LYS 13 6.291 10.017 -0.508
101 HA LYS 13 HA LYS 13 5.640 11.890 -2.609
102 HB2 LYS 13 HB2 LYS 13 4.304 9.568 -1.316
103 HB3 LYS 13 HB3 LYS 13 3.273 10.771 -2.079
104 HG2 LYS 13 HG2 LYS 13 3.990 10.259 -4.178
105 HG3 LYS 13 HG3 LYS 13 5.584 9.739 -3.630
106 HD2 LYS 13 HD2 LYS 13 4.202 7.822 -2.478
107 HD3 LYS 13 HD3 LYS 13 3.013 8.230 -3.716
108 HE2 LYS 13 HE2 LYS 13 5.892 7.692 -4.382
109 HE3 LYS 13 HE3 LYS 13 4.705 6.396 -4.262
110 HZ1 LYS 13 HZ1 LYS 13 5.109 7.370 -6.544
111 HZ2 LYS 13 HZ2 LYS 13 4.286 8.748 -6.007
112 HZ3 LYS 13 HZ3 LYS 13 3.493 7.253 -6.054
113 HA PRO 14 HA PRO 14 3.797 15.073 -0.217
114 HB2 PRO 14 HB2 PRO 14 1.694 15.797 -1.773
115 HB3 PRO 14 HB3 PRO 14 3.371 16.168 -2.191
116 HG2 PRO 14 HG2 PRO 14 1.612 13.959 -3.187
117 HG3 PRO 14 HG3 PRO 14 2.726 14.998 -4.095
118 HD2 PRO 14 HD2 PRO 14 3.366 12.473 -3.355
119 HD3 PRO 14 HD3 PRO 14 4.575 13.767 -3.480
120 H ASN 15 H ASN 15 1.622 12.537 -1.364
121 HA ASN 15 HA ASN 15 -0.225 13.104 0.840
122 HB2 ASN 15 HB2 ASN 15 -1.671 11.384 -0.361
123 HB3 ASN 15 HB3 ASN 15 -1.390 12.898 -1.215
124 HD21 ASN 15 HD21 ASN 15 -0.399 9.537 -0.979
125 HD22 ASN 15 HD22 ASN 15 0.170 9.398 -2.605
126 H CYS 16 H CYS 16 2.063 10.756 -0.319
127 HA CYS 16 HA CYS 16 1.427 9.020 1.975
128 HB2 CYS 16 HB2 CYS 16 1.111 7.846 -0.118
129 HB3 CYS 16 HB3 CYS 16 2.707 8.335 -0.677
130 H GLY 17 H GLY 17 2.884 8.905 3.552
131 HA2 GLY 17 HA2 GLY 17 5.716 9.076 3.003
132 HA3 GLY 17 HA3 GLY 17 5.076 10.453 3.887
133 HN1 NH2 18 H1 NH2 18 5.521 10.292 5.973
134 HN2 NH2 18 H2 NH2 18 5.471 8.893 6.951
Start of MODEL 4
1 H1 ARG 1 H ARG 1 5.587 -0.393 0.332
2 HA ARG 1 HA ARG 1 5.543 2.406 1.065
3 HB2 ARG 1 HB2 ARG 1 6.545 2.789 -1.127
4 HB3 ARG 1 HB3 ARG 1 7.396 1.510 -0.272
5 HG2 ARG 1 HG2 ARG 1 5.966 -0.121 -1.587
6 HG3 ARG 1 HG3 ARG 1 5.505 1.260 -2.585
7 HD2 ARG 1 HD2 ARG 1 7.622 1.511 -3.455
8 HD3 ARG 1 HD3 ARG 1 8.395 0.732 -2.074
9 HE ARG 1 HE ARG 1 7.478 -0.533 -4.455
10 HH11 ARG 1 HH11 ARG 1 7.903 -0.999 -1.031
11 HH12 ARG 1 HH12 ARG 1 8.050 -2.721 -1.153
12 HH21 ARG 1 HH21 ARG 1 7.672 -2.799 -4.628
13 HH22 ARG 1 HH22 ARG 1 7.919 -3.744 -3.198
14 H CYS 2 H CYS 2 4.615 3.988 -0.563
15 HA CYS 2 HA CYS 2 1.838 3.263 -1.019
16 HB2 CYS 2 HB2 CYS 2 2.695 5.467 0.033
17 HB3 CYS 2 HB3 CYS 2 3.049 5.949 -1.623
18 H LYS 3 H LYS 3 4.222 5.068 -2.964
19 HA LYS 3 HA LYS 3 3.139 3.724 -5.353
20 HB2 LYS 3 HB2 LYS 3 2.756 6.269 -5.028
21 HB3 LYS 3 HB3 LYS 3 4.461 6.422 -5.432
22 HG2 LYS 3 HG2 LYS 3 3.301 6.764 -7.441
23 HG3 LYS 3 HG3 LYS 3 3.933 5.119 -7.540
24 HD2 LYS 3 HD2 LYS 3 1.727 4.930 -8.289
25 HD3 LYS 3 HD3 LYS 3 1.657 4.392 -6.610
26 HE2 LYS 3 HE2 LYS 3 -0.135 5.818 -6.658
27 HE3 LYS 3 HE3 LYS 3 1.138 6.931 -6.164
28 HZ1 LYS 3 HZ1 LYS 3 0.806 6.664 -9.023
29 HZ2 LYS 3 HZ2 LYS 3 1.007 8.054 -8.082
30 HZ3 LYS 3 HZ3 LYS 3 -0.522 7.345 -8.227
31 H THR 4 H THR 4 4.619 3.269 -7.061
32 HA THR 4 HA THR 4 7.104 2.252 -6.177
33 HB THR 4 HB THR 4 5.846 1.299 -8.087
34 HG1 THR 4 HG1 THR 4 8.353 2.131 -9.086
35 HG21 THR 4 HG21 THR 4 5.432 3.732 -8.999
36 HG22 THR 4 HG22 THR 4 5.554 2.365 -10.107
37 HG23 THR 4 HG23 THR 4 6.937 3.431 -9.865
38 H CYS 5 H CYS 5 9.227 2.874 -6.757
39 HA CYS 5 HA CYS 5 9.497 5.761 -7.237
40 HB2 CYS 5 HB2 CYS 5 11.159 3.756 -5.748
41 HB3 CYS 5 HB3 CYS 5 11.902 5.232 -6.354
42 H SER 6 H SER 6 11.651 6.343 -8.324
43 HA SER 6 HA SER 6 11.754 4.875 -10.833
44 HB2 SER 6 HB2 SER 6 13.311 7.370 -10.152
45 HB3 SER 6 HB3 SER 6 12.851 6.773 -11.747
46 HG SER 6 HG SER 6 11.117 7.923 -11.542
47 H LYS 7 H LYS 7 13.905 4.501 -11.855
48 HA LYS 7 HA LYS 7 15.521 2.906 -10.154
49 HB2 LYS 7 HB2 LYS 7 15.083 2.797 -12.751
50 HB3 LYS 7 HB3 LYS 7 16.495 3.842 -12.822
51 HG2 LYS 7 HG2 LYS 7 17.366 1.706 -13.079
52 HG3 LYS 7 HG3 LYS 7 17.641 2.066 -11.373
53 HD2 LYS 7 HD2 LYS 7 15.399 0.889 -10.965
54 HD3 LYS 7 HD3 LYS 7 15.576 0.266 -12.606
55 HE2 LYS 7 HE2 LYS 7 17.763 -0.684 -11.976
56 HE3 LYS 7 HE3 LYS 7 17.517 -0.111 -10.327
57 HZ1 LYS 7 HZ1 LYS 7 16.893 -2.539 -11.012
58 HZ2 LYS 7 HZ2 LYS 7 15.460 -1.812 -11.539
59 HZ3 LYS 7 HZ3 LYS 7 15.928 -1.679 -9.920
60 H GLY 8 H GLY 8 16.584 3.969 -8.558
61 HA2 GLY 8 HA2 GLY 8 18.662 4.941 -7.917
62 HA3 GLY 8 HA3 GLY 8 18.668 5.848 -9.422
63 H ARG 9 H ARG 9 15.810 6.605 -9.017
64 HA ARG 9 HA ARG 9 16.269 8.681 -6.978
65 HB2 ARG 9 HB2 ARG 9 14.856 8.750 -9.625
66 HB3 ARG 9 HB3 ARG 9 14.434 9.901 -8.363
67 HG2 ARG 9 HG2 ARG 9 16.557 10.888 -8.398
68 HG3 ARG 9 HG3 ARG 9 17.264 9.535 -9.283
69 HD2 ARG 9 HD2 ARG 9 16.199 10.154 -11.287
70 HD3 ARG 9 HD3 ARG 9 15.088 11.242 -10.455
71 HE ARG 9 HE ARG 9 17.762 11.830 -11.326
72 HH11 ARG 9 HH11 ARG 9 15.235 12.665 -9.082
73 HH12 ARG 9 HH12 ARG 9 15.805 14.283 -8.840
74 HH21 ARG 9 HH21 ARG 9 18.523 13.958 -11.016
75 HH22 ARG 9 HH22 ARG 9 17.675 15.017 -9.941
76 H CYS 10 H CYS 10 15.054 8.522 -5.223
77 HA CYS 10 HA CYS 10 12.281 7.644 -5.444
78 HB2 CYS 10 HB2 CYS 10 13.625 5.607 -4.952
79 HB3 CYS 10 HB3 CYS 10 14.203 6.380 -3.480
80 H ARG 11 H ARG 11 11.139 9.201 -4.519
81 HA ARG 11 HA ARG 11 12.154 10.397 -2.027
82 HB2 ARG 11 HB2 ARG 11 11.127 11.705 -4.496
83 HB3 ARG 11 HB3 ARG 11 10.702 12.431 -2.953
84 HG2 ARG 11 HG2 ARG 11 12.999 12.751 -2.389
85 HG3 ARG 11 HG3 ARG 11 13.525 11.816 -3.790
86 HD2 ARG 11 HD2 ARG 11 12.531 13.506 -5.271
87 HD3 ARG 11 HD3 ARG 11 12.042 14.443 -3.859
88 HE ARG 11 HE ARG 11 14.186 15.218 -3.679
89 HH11 ARG 11 HH11 ARG 11 14.161 12.420 -5.749
90 HH12 ARG 11 HH12 ARG 11 15.819 12.592 -6.220
91 HH21 ARG 11 HH21 ARG 11 16.371 15.456 -4.291
92 HH22 ARG 11 HH22 ARG 11 17.076 14.318 -5.390
93 HA PRO 12 HA PRO 12 8.276 9.530 -0.166
94 HB2 PRO 12 HB2 PRO 12 7.856 11.730 1.368
95 HB3 PRO 12 HB3 PRO 12 9.081 10.514 1.749
96 HG2 PRO 12 HG2 PRO 12 9.401 13.171 0.405
97 HG3 PRO 12 HG3 PRO 12 10.414 12.417 1.651
98 HD2 PRO 12 HD2 PRO 12 11.082 12.408 -0.974
99 HD3 PRO 12 HD3 PRO 12 11.513 11.083 0.126
100 H LYS 13 H LYS 13 6.121 9.754 -0.531
101 HA LYS 13 HA LYS 13 5.276 11.485 -2.642
102 HB2 LYS 13 HB2 LYS 13 4.032 9.359 -0.977
103 HB3 LYS 13 HB3 LYS 13 2.949 10.516 -1.741
104 HG2 LYS 13 HG2 LYS 13 3.063 8.804 -3.288
105 HG3 LYS 13 HG3 LYS 13 4.243 9.966 -3.900
106 HD2 LYS 13 HD2 LYS 13 5.205 7.881 -2.017
107 HD3 LYS 13 HD3 LYS 13 4.796 7.377 -3.657
108 HE2 LYS 13 HE2 LYS 13 6.485 9.798 -3.318
109 HE3 LYS 13 HE3 LYS 13 7.222 8.227 -3.009
110 HZ1 LYS 13 HZ1 LYS 13 7.591 8.709 -5.269
111 HZ2 LYS 13 HZ2 LYS 13 5.990 9.192 -5.524
112 HZ3 LYS 13 HZ3 LYS 13 6.349 7.561 -5.253
113 HA PRO 14 HA PRO 14 3.774 14.974 -0.444
114 HB2 PRO 14 HB2 PRO 14 1.538 15.602 -1.852
115 HB3 PRO 14 HB3 PRO 14 3.171 15.862 -2.475
116 HG2 PRO 14 HG2 PRO 14 1.263 13.625 -3.037
117 HG3 PRO 14 HG3 PRO 14 2.302 14.518 -4.162
118 HD2 PRO 14 HD2 PRO 14 2.952 12.067 -3.214
119 HD3 PRO 14 HD3 PRO 14 4.173 13.294 -3.605
120 H ASN 15 H ASN 15 1.378 12.453 -1.115
121 HA ASN 15 HA ASN 15 -0.145 13.283 1.251
122 HB2 ASN 15 HB2 ASN 15 -0.816 11.727 -1.214
123 HB3 ASN 15 HB3 ASN 15 -1.743 11.431 0.255
124 HD21 ASN 15 HD21 ASN 15 -2.333 13.622 1.380
125 HD22 ASN 15 HD22 ASN 15 -3.065 14.783 0.330
126 H CYS 16 H CYS 16 1.804 10.715 -0.049
127 HA CYS 16 HA CYS 16 1.243 9.043 2.300
128 HB2 CYS 16 HB2 CYS 16 2.255 8.470 -0.456
129 HB3 CYS 16 HB3 CYS 16 2.706 7.388 0.859
130 H GLY 17 H GLY 17 2.640 9.073 3.926
131 HA2 GLY 17 HA2 GLY 17 5.103 8.568 4.347
132 HA3 GLY 17 HA3 GLY 17 5.384 10.013 3.388
133 HN1 NH2 18 H1 NH2 18 5.736 9.117 6.346
134 HN2 NH2 18 H2 NH2 18 5.192 10.452 7.263
Start of MODEL 5
1 H1 ARG 1 H ARG 1 3.903 0.501 0.444
2 HA ARG 1 HA ARG 1 1.894 1.787 2.170
3 HB2 ARG 1 HB2 ARG 1 4.885 2.005 2.048
4 HB3 ARG 1 HB3 ARG 1 3.925 3.310 2.728
5 HG2 ARG 1 HG2 ARG 1 2.959 1.737 4.347
6 HG3 ARG 1 HG3 ARG 1 3.974 0.456 3.682
7 HD2 ARG 1 HD2 ARG 1 5.970 1.622 4.347
8 HD3 ARG 1 HD3 ARG 1 5.028 3.022 4.859
9 HE ARG 1 HE ARG 1 4.029 1.021 6.377
10 HH11 ARG 1 HH11 ARG 1 7.257 2.170 5.757
11 HH12 ARG 1 HH12 ARG 1 7.860 1.709 7.315
12 HH21 ARG 1 HH21 ARG 1 4.810 0.409 8.431
13 HH22 ARG 1 HH22 ARG 1 6.467 0.707 8.834
14 H CYS 2 H CYS 2 4.382 2.617 -0.249
15 HA CYS 2 HA CYS 2 2.531 4.648 -1.311
16 HB2 CYS 2 HB2 CYS 2 5.534 4.907 -1.044
17 HB3 CYS 2 HB3 CYS 2 4.470 6.088 -1.799
18 H LYS 3 H LYS 3 3.283 5.365 -3.575
19 HA LYS 3 HA LYS 3 3.274 3.072 -5.249
20 HB2 LYS 3 HB2 LYS 3 3.495 6.027 -5.750
21 HB3 LYS 3 HB3 LYS 3 3.679 4.875 -7.066
22 HG2 LYS 3 HG2 LYS 3 1.405 3.943 -6.149
23 HG3 LYS 3 HG3 LYS 3 1.266 5.568 -5.473
24 HD2 LYS 3 HD2 LYS 3 0.262 5.859 -7.523
25 HD3 LYS 3 HD3 LYS 3 1.928 6.302 -7.901
26 HE2 LYS 3 HE2 LYS 3 1.502 4.861 -9.623
27 HE3 LYS 3 HE3 LYS 3 2.128 3.725 -8.429
28 HZ1 LYS 3 HZ1 LYS 3 0.244 2.622 -8.840
29 HZ2 LYS 3 HZ2 LYS 3 -0.526 3.959 -9.532
30 HZ3 LYS 3 HZ3 LYS 3 -0.499 3.776 -7.849
31 H THR 4 H THR 4 4.852 2.325 -6.687
32 HA THR 4 HA THR 4 7.447 2.132 -5.738
33 HB THR 4 HB THR 4 6.792 1.916 -8.671
34 HG1 THR 4 HG1 THR 4 5.554 0.253 -8.252
35 HG21 THR 4 HG21 THR 4 8.369 -0.138 -8.232
36 HG22 THR 4 HG22 THR 4 8.858 0.802 -6.822
37 HG23 THR 4 HG23 THR 4 9.044 1.478 -8.440
38 H CYS 5 H CYS 5 9.452 2.966 -6.546
39 HA CYS 5 HA CYS 5 9.193 5.715 -7.562
40 HB2 CYS 5 HB2 CYS 5 11.419 6.100 -6.548
41 HB3 CYS 5 HB3 CYS 5 10.219 5.599 -5.362
42 H SER 6 H SER 6 11.271 6.444 -8.746
43 HA SER 6 HA SER 6 11.597 4.663 -10.997
44 HB2 SER 6 HB2 SER 6 13.143 6.654 -11.737
45 HB3 SER 6 HB3 SER 6 11.391 6.859 -11.726
46 HG SER 6 HG SER 6 11.529 8.144 -10.018
47 H LYS 7 H LYS 7 13.831 4.396 -11.950
48 HA LYS 7 HA LYS 7 15.488 3.078 -10.045
49 HB2 LYS 7 HB2 LYS 7 15.656 3.623 -12.985
50 HB3 LYS 7 HB3 LYS 7 17.072 3.021 -12.135
51 HG2 LYS 7 HG2 LYS 7 14.416 1.640 -11.963
52 HG3 LYS 7 HG3 LYS 7 15.563 1.313 -13.263
53 HD2 LYS 7 HD2 LYS 7 17.254 0.984 -11.299
54 HD3 LYS 7 HD3 LYS 7 15.793 0.742 -10.338
55 HE2 LYS 7 HE2 LYS 7 15.119 -0.929 -12.173
56 HE3 LYS 7 HE3 LYS 7 16.813 -0.866 -12.657
57 HZ1 LYS 7 HZ1 LYS 7 15.969 -1.483 -9.886
58 HZ2 LYS 7 HZ2 LYS 7 17.490 -1.717 -10.587
59 HZ3 LYS 7 HZ3 LYS 7 16.185 -2.682 -11.059
60 H GLY 8 H GLY 8 16.768 4.107 -8.660
61 HA2 GLY 8 HA2 GLY 8 18.724 5.331 -8.158
62 HA3 GLY 8 HA3 GLY 8 18.545 6.196 -9.678
63 H ARG 9 H ARG 9 15.661 6.695 -9.097
64 HA ARG 9 HA ARG 9 16.051 8.849 -7.124
65 HB2 ARG 9 HB2 ARG 9 14.469 8.745 -9.677
66 HB3 ARG 9 HB3 ARG 9 14.066 9.900 -8.414
67 HG2 ARG 9 HG2 ARG 9 16.081 11.044 -8.648
68 HG3 ARG 9 HG3 ARG 9 16.851 9.702 -9.496
69 HD2 ARG 9 HD2 ARG 9 15.338 10.069 -11.403
70 HD3 ARG 9 HD3 ARG 9 14.626 11.443 -10.555
71 HE ARG 9 HE ARG 9 17.126 11.385 -11.962
72 HH11 ARG 9 HH11 ARG 9 15.331 12.922 -9.404
73 HH12 ARG 9 HH12 ARG 9 16.233 14.400 -9.483
74 HH21 ARG 9 HH21 ARG 9 18.320 13.326 -12.074
75 HH22 ARG 9 HH22 ARG 9 17.932 14.628 -11.003
76 H CYS 10 H CYS 10 15.079 8.388 -5.268
77 HA CYS 10 HA CYS 10 12.320 7.429 -5.313
78 HB2 CYS 10 HB2 CYS 10 14.526 6.122 -3.707
79 HB3 CYS 10 HB3 CYS 10 12.810 5.777 -3.526
80 H ARG 11 H ARG 11 11.164 8.803 -4.150
81 HA ARG 11 HA ARG 11 12.180 9.733 -1.578
82 HB2 ARG 11 HB2 ARG 11 11.621 11.465 -3.938
83 HB3 ARG 11 HB3 ARG 11 11.157 12.063 -2.350
84 HG2 ARG 11 HG2 ARG 11 13.395 11.989 -1.570
85 HG3 ARG 11 HG3 ARG 11 13.926 11.084 -2.991
86 HD2 ARG 11 HD2 ARG 11 12.665 13.768 -3.338
87 HD3 ARG 11 HD3 ARG 11 14.346 13.661 -2.822
88 HE ARG 11 HE ARG 11 14.265 12.038 -4.981
89 HH11 ARG 11 HH11 ARG 11 13.254 15.323 -4.421
90 HH12 ARG 11 HH12 ARG 11 13.539 15.827 -6.054
91 HH21 ARG 11 HH21 ARG 11 14.642 12.689 -7.135
92 HH22 ARG 11 HH22 ARG 11 14.327 14.328 -7.596
93 HA PRO 12 HA PRO 12 8.033 9.270 -0.223
94 HB2 PRO 12 HB2 PRO 12 7.759 11.316 1.541
95 HB3 PRO 12 HB3 PRO 12 8.747 9.888 1.871
96 HG2 PRO 12 HG2 PRO 12 9.594 12.600 0.927
97 HG3 PRO 12 HG3 PRO 12 10.342 11.558 2.151
98 HD2 PRO 12 HD2 PRO 12 11.294 11.751 -0.377
99 HD3 PRO 12 HD3 PRO 12 11.405 10.255 0.575
100 H LYS 13 H LYS 13 5.986 9.867 -0.757
101 HA LYS 13 HA LYS 13 5.679 12.068 -2.603
102 HB2 LYS 13 HB2 LYS 13 4.024 9.754 -1.729
103 HB3 LYS 13 HB3 LYS 13 3.181 11.155 -2.377
104 HG2 LYS 13 HG2 LYS 13 4.471 11.000 -4.434
105 HG3 LYS 13 HG3 LYS 13 5.358 9.621 -3.783
106 HD2 LYS 13 HD2 LYS 13 3.762 8.523 -5.000
107 HD3 LYS 13 HD3 LYS 13 2.923 8.654 -3.453
108 HE2 LYS 13 HE2 LYS 13 1.288 9.416 -4.858
109 HE3 LYS 13 HE3 LYS 13 2.097 10.935 -4.480
110 HZ1 LYS 13 HZ1 LYS 13 1.633 9.945 -6.976
111 HZ2 LYS 13 HZ2 LYS 13 3.269 9.597 -6.721
112 HZ3 LYS 13 HZ3 LYS 13 2.714 11.188 -6.588
113 HA PRO 14 HA PRO 14 3.998 15.080 0.111
114 HB2 PRO 14 HB2 PRO 14 2.095 16.235 -1.444
115 HB3 PRO 14 HB3 PRO 14 3.827 16.472 -1.710
116 HG2 PRO 14 HG2 PRO 14 1.931 14.625 -3.108
117 HG3 PRO 14 HG3 PRO 14 3.205 15.649 -3.794
118 HD2 PRO 14 HD2 PRO 14 3.534 12.992 -3.387
119 HD3 PRO 14 HD3 PRO 14 4.873 14.151 -3.257
120 H ASN 15 H ASN 15 1.652 12.996 -1.521
121 HA ASN 15 HA ASN 15 -0.350 13.517 0.528
122 HB2 ASN 15 HB2 ASN 15 -0.385 11.894 -2.019
123 HB3 ASN 15 HB3 ASN 15 -1.726 11.906 -0.877
124 HD21 ASN 15 HD21 ASN 15 -0.529 13.274 -3.618
125 HD22 ASN 15 HD22 ASN 15 -1.426 14.750 -3.616
126 H CYS 16 H CYS 16 1.952 11.084 -0.406
127 HA CYS 16 HA CYS 16 0.827 9.059 1.329
128 HB2 CYS 16 HB2 CYS 16 2.177 8.762 -0.912
129 HB3 CYS 16 HB3 CYS 16 3.573 8.863 0.155
130 H GLY 17 H GLY 17 4.044 10.606 1.166
131 HA2 GLY 17 HA2 GLY 17 4.206 10.298 4.100
132 HA3 GLY 17 HA3 GLY 17 5.595 10.299 3.023
133 HN1 NH2 18 H1 NH2 18 2.807 12.429 3.679
134 HN2 NH2 18 H2 NH2 18 3.674 13.896 3.784
Start of MODEL 6
1 H1 ARG 1 H ARG 1 3.839 0.716 2.917
2 HA ARG 1 HA ARG 1 4.238 0.036 0.703
3 HB2 ARG 1 HB2 ARG 1 1.260 -0.290 1.114
4 HB3 ARG 1 HB3 ARG 1 2.239 -1.183 -0.044
5 HG2 ARG 1 HG2 ARG 1 2.623 -1.268 2.942
6 HG3 ARG 1 HG3 ARG 1 1.712 -2.456 2.007
7 HD2 ARG 1 HD2 ARG 1 3.889 -2.665 0.616
8 HD3 ARG 1 HD3 ARG 1 4.654 -1.899 2.008
9 HE ARG 1 HE ARG 1 3.032 -4.156 2.716
10 HH11 ARG 1 HH11 ARG 1 6.167 -3.151 1.583
11 HH12 ARG 1 HH12 ARG 1 6.981 -4.560 2.182
12 HH21 ARG 1 HH21 ARG 1 4.090 -6.014 3.507
13 HH22 ARG 1 HH22 ARG 1 5.796 -6.188 3.275
14 H CYS 2 H CYS 2 4.341 2.679 0.407
15 HA CYS 2 HA CYS 2 2.331 3.776 -1.281
16 HB2 CYS 2 HB2 CYS 2 4.223 4.921 0.179
17 HB3 CYS 2 HB3 CYS 2 5.128 4.820 -1.328
18 H LYS 3 H LYS 3 2.822 4.586 -3.509
19 HA LYS 3 HA LYS 3 3.262 2.505 -5.275
20 HB2 LYS 3 HB2 LYS 3 2.322 4.962 -5.594
21 HB3 LYS 3 HB3 LYS 3 3.966 5.278 -6.131
22 HG2 LYS 3 HG2 LYS 3 3.777 3.856 -7.960
23 HG3 LYS 3 HG3 LYS 3 2.389 3.006 -7.277
24 HD2 LYS 3 HD2 LYS 3 1.623 4.425 -9.059
25 HD3 LYS 3 HD3 LYS 3 1.061 5.093 -7.526
26 HE2 LYS 3 HE2 LYS 3 1.897 6.853 -8.987
27 HE3 LYS 3 HE3 LYS 3 2.903 6.700 -7.549
28 HZ1 LYS 3 HZ1 LYS 3 4.633 5.807 -8.743
29 HZ2 LYS 3 HZ2 LYS 3 4.001 6.904 -9.866
30 HZ3 LYS 3 HZ3 LYS 3 3.645 5.255 -10.001
31 H THR 4 H THR 4 4.986 2.173 -6.840
32 HA THR 4 HA THR 4 7.532 2.021 -5.588
33 HB THR 4 HB THR 4 7.268 1.719 -8.548
34 HG1 THR 4 HG1 THR 4 6.268 -0.292 -8.259
35 HG21 THR 4 HG21 THR 4 9.082 0.922 -6.473
36 HG22 THR 4 HG22 THR 4 9.255 0.764 -8.222
37 HG23 THR 4 HG23 THR 4 8.457 -0.506 -7.295
38 H CYS 5 H CYS 5 9.527 2.945 -6.368
39 HA CYS 5 HA CYS 5 9.140 5.689 -7.329
40 HB2 CYS 5 HB2 CYS 5 11.411 6.101 -6.423
41 HB3 CYS 5 HB3 CYS 5 10.291 5.516 -5.196
42 H SER 6 H SER 6 11.186 6.518 -8.554
43 HA SER 6 HA SER 6 11.401 4.884 -10.926
44 HB2 SER 6 HB2 SER 6 11.147 7.462 -10.806
45 HB3 SER 6 HB3 SER 6 12.882 7.466 -10.489
46 HG SER 6 HG SER 6 11.540 7.043 -12.824
47 H LYS 7 H LYS 7 13.623 4.761 -12.004
48 HA LYS 7 HA LYS 7 15.355 3.296 -10.267
49 HB2 LYS 7 HB2 LYS 7 15.994 4.197 -13.072
50 HB3 LYS 7 HB3 LYS 7 16.639 2.805 -12.212
51 HG2 LYS 7 HG2 LYS 7 13.783 3.138 -13.113
52 HG3 LYS 7 HG3 LYS 7 15.013 2.158 -13.916
53 HD2 LYS 7 HD2 LYS 7 14.096 1.750 -11.070
54 HD3 LYS 7 HD3 LYS 7 13.471 0.853 -12.456
55 HE2 LYS 7 HE2 LYS 7 16.324 0.898 -11.474
56 HE3 LYS 7 HE3 LYS 7 15.185 -0.440 -11.331
57 HZ1 LYS 7 HZ1 LYS 7 15.101 -0.169 -13.916
58 HZ2 LYS 7 HZ2 LYS 7 16.337 -1.058 -13.181
59 HZ3 LYS 7 HZ3 LYS 7 16.626 0.528 -13.692
60 H GLY 8 H GLY 8 16.685 4.251 -8.873
61 HA2 GLY 8 HA2 GLY 8 18.659 5.448 -8.380
62 HA3 GLY 8 HA3 GLY 8 18.424 6.392 -9.843
63 H ARG 9 H ARG 9 15.566 6.860 -9.125
64 HA ARG 9 HA ARG 9 16.036 8.906 -7.056
65 HB2 ARG 9 HB2 ARG 9 14.371 8.938 -9.555
66 HB3 ARG 9 HB3 ARG 9 13.991 10.010 -8.214
67 HG2 ARG 9 HG2 ARG 9 15.973 11.201 -8.441
68 HG3 ARG 9 HG3 ARG 9 16.749 9.916 -9.368
69 HD2 ARG 9 HD2 ARG 9 14.750 10.433 -11.034
70 HD3 ARG 9 HD3 ARG 9 14.829 12.006 -10.243
71 HE ARG 9 HE ARG 9 16.770 12.423 -11.372
72 HH11 ARG 9 HH11 ARG 9 16.151 8.998 -11.429
73 HH12 ARG 9 HH12 ARG 9 17.454 8.649 -12.514
74 HH21 ARG 9 HH21 ARG 9 18.491 11.976 -12.801
75 HH22 ARG 9 HH22 ARG 9 18.786 10.342 -13.293
76 H CYS 10 H CYS 10 15.140 8.347 -5.190
77 HA CYS 10 HA CYS 10 12.391 7.341 -5.191
78 HB2 CYS 10 HB2 CYS 10 14.680 6.071 -3.676
79 HB3 CYS 10 HB3 CYS 10 12.980 5.678 -3.434
80 H ARG 11 H ARG 11 11.227 8.674 -3.986
81 HA ARG 11 HA ARG 11 12.190 9.507 -1.379
82 HB2 ARG 11 HB2 ARG 11 11.874 11.356 -3.688
83 HB3 ARG 11 HB3 ARG 11 11.321 11.920 -2.117
84 HG2 ARG 11 HG2 ARG 11 13.647 11.196 -1.283
85 HG3 ARG 11 HG3 ARG 11 14.086 11.197 -2.991
86 HD2 ARG 11 HD2 ARG 11 14.640 13.345 -2.400
87 HD3 ARG 11 HD3 ARG 11 12.983 13.570 -2.959
88 HE ARG 11 HE ARG 11 12.988 13.039 -0.192
89 HH11 ARG 11 HH11 ARG 11 13.830 15.530 -2.474
90 HH12 ARG 11 HH12 ARG 11 13.565 16.826 -1.355
91 HH21 ARG 11 HH21 ARG 11 12.637 14.736 1.291
92 HH22 ARG 11 HH22 ARG 11 12.889 16.373 0.787
93 HA PRO 12 HA PRO 12 7.962 9.225 -0.249
94 HB2 PRO 12 HB2 PRO 12 7.709 11.209 1.589
95 HB3 PRO 12 HB3 PRO 12 8.600 9.715 1.903
96 HG2 PRO 12 HG2 PRO 12 9.640 12.411 1.121
97 HG3 PRO 12 HG3 PRO 12 10.267 11.279 2.334
98 HD2 PRO 12 HD2 PRO 12 11.355 11.520 -0.134
99 HD3 PRO 12 HD3 PRO 12 11.336 9.984 0.755
100 H LYS 13 H LYS 13 5.980 9.958 -0.855
101 HA LYS 13 HA LYS 13 5.888 12.248 -2.613
102 HB2 LYS 13 HB2 LYS 13 4.075 9.992 -1.932
103 HB3 LYS 13 HB3 LYS 13 3.333 11.464 -2.544
104 HG2 LYS 13 HG2 LYS 13 4.263 11.237 -4.620
105 HG3 LYS 13 HG3 LYS 13 5.645 10.318 -4.021
106 HD2 LYS 13 HD2 LYS 13 4.226 8.846 -5.287
107 HD3 LYS 13 HD3 LYS 13 4.115 8.410 -3.580
108 HE2 LYS 13 HE2 LYS 13 1.918 8.407 -4.665
109 HE3 LYS 13 HE3 LYS 13 2.015 9.619 -3.388
110 HZ1 LYS 13 HZ1 LYS 13 1.113 10.105 -5.857
111 HZ2 LYS 13 HZ2 LYS 13 2.733 10.561 -6.029
112 HZ3 LYS 13 HZ3 LYS 13 1.771 11.289 -4.843
113 HA PRO 14 HA PRO 14 4.233 15.231 0.147
114 HB2 PRO 14 HB2 PRO 14 2.478 16.557 -1.447
115 HB3 PRO 14 HB3 PRO 14 4.232 16.707 -1.615
116 HG2 PRO 14 HG2 PRO 14 2.314 15.030 -3.188
117 HG3 PRO 14 HG3 PRO 14 3.676 16.009 -3.763
118 HD2 PRO 14 HD2 PRO 14 3.840 13.323 -3.458
119 HD3 PRO 14 HD3 PRO 14 5.230 14.398 -3.213
120 H ASN 15 H ASN 15 1.883 13.325 -1.675
121 HA ASN 15 HA ASN 15 -0.205 13.886 0.275
122 HB2 ASN 15 HB2 ASN 15 -1.669 12.617 -1.219
123 HB3 ASN 15 HB3 ASN 15 -0.786 13.847 -2.120
124 HD21 ASN 15 HD21 ASN 15 -1.770 10.724 -2.158
125 HD22 ASN 15 HD22 ASN 15 -0.617 10.066 -3.264
126 H CYS 16 H CYS 16 2.029 11.371 -0.604
127 HA CYS 16 HA CYS 16 0.720 9.305 0.903
128 HB2 CYS 16 HB2 CYS 16 2.401 9.131 -1.119
129 HB3 CYS 16 HB3 CYS 16 3.614 9.166 0.156
130 H GLY 17 H GLY 17 3.773 11.105 1.331
131 HA2 GLY 17 HA2 GLY 17 3.429 10.770 4.243
132 HA3 GLY 17 HA3 GLY 17 4.977 10.435 3.480
133 HN1 NH2 18 H1 NH2 18 2.545 13.033 3.686
134 HN2 NH2 18 H2 NH2 18 3.632 14.345 3.784
Start of MODEL 7
1 H1 ARG 1 H ARG 1 -0.968 0.230 0.711
2 HA ARG 1 HA ARG 1 1.817 0.422 0.162
3 HB2 ARG 1 HB2 ARG 1 -0.431 -0.992 -1.275
4 HB3 ARG 1 HB3 ARG 1 1.259 -1.128 -1.743
5 HG2 ARG 1 HG2 ARG 1 0.415 -1.757 1.053
6 HG3 ARG 1 HG3 ARG 1 0.207 -2.943 -0.238
7 HD2 ARG 1 HD2 ARG 1 2.847 -1.596 0.083
8 HD3 ARG 1 HD3 ARG 1 2.402 -2.880 1.207
9 HE ARG 1 HE ARG 1 3.193 -3.185 -1.516
10 HH11 ARG 1 HH11 ARG 1 1.183 -4.537 0.986
11 HH12 ARG 1 HH12 ARG 1 1.202 -6.135 0.316
12 HH21 ARG 1 HH21 ARG 1 3.223 -5.284 -2.406
13 HH22 ARG 1 HH22 ARG 1 2.362 -6.559 -1.613
14 H CYS 2 H CYS 2 1.597 2.852 -0.199
15 HA CYS 2 HA CYS 2 1.144 3.348 -3.070
16 HB2 CYS 2 HB2 CYS 2 0.603 5.707 -2.422
17 HB3 CYS 2 HB3 CYS 2 -0.563 4.520 -1.846
18 H LYS 3 H LYS 3 3.581 2.439 -2.220
19 HA LYS 3 HA LYS 3 5.297 4.808 -2.011
20 HB2 LYS 3 HB2 LYS 3 5.711 1.889 -1.453
21 HB3 LYS 3 HB3 LYS 3 7.092 2.942 -1.725
22 HG2 LYS 3 HG2 LYS 3 4.999 3.600 0.317
23 HG3 LYS 3 HG3 LYS 3 6.354 2.528 0.683
24 HD2 LYS 3 HD2 LYS 3 6.898 5.180 -0.571
25 HD3 LYS 3 HD3 LYS 3 6.515 5.106 1.150
26 HE2 LYS 3 HE2 LYS 3 8.618 3.347 -0.071
27 HE3 LYS 3 HE3 LYS 3 8.984 4.991 0.451
28 HZ1 LYS 3 HZ1 LYS 3 8.282 2.644 2.063
29 HZ2 LYS 3 HZ2 LYS 3 7.848 4.174 2.637
30 HZ3 LYS 3 HZ3 LYS 3 9.473 3.816 2.329
31 H THR 4 H THR 4 6.271 5.584 -3.754
32 HA THR 4 HA THR 4 6.441 3.881 -6.146
33 HB THR 4 HB THR 4 6.552 5.898 -7.469
34 HG1 THR 4 HG1 THR 4 6.335 7.393 -5.057
35 HG21 THR 4 HG21 THR 4 4.364 6.900 -6.944
36 HG22 THR 4 HG22 THR 4 4.379 6.089 -5.379
37 HG23 THR 4 HG23 THR 4 4.319 5.140 -6.863
38 H CYS 5 H CYS 5 8.343 3.943 -7.445
39 HA CYS 5 HA CYS 5 10.738 5.136 -6.304
40 HB2 CYS 5 HB2 CYS 5 10.288 2.703 -5.412
41 HB3 CYS 5 HB3 CYS 5 10.898 2.227 -6.993
42 H SER 6 H SER 6 11.972 5.939 -7.869
43 HA SER 6 HA SER 6 11.484 5.030 -10.621
44 HB2 SER 6 HB2 SER 6 12.966 7.556 -9.993
45 HB3 SER 6 HB3 SER 6 11.937 7.176 -11.374
46 HG SER 6 HG SER 6 10.739 8.510 -10.121
47 H LYS 7 H LYS 7 13.442 5.294 -12.092
48 HA LYS 7 HA LYS 7 15.518 3.613 -11.131
49 HB2 LYS 7 HB2 LYS 7 14.669 3.851 -13.533
50 HB3 LYS 7 HB3 LYS 7 15.657 5.305 -13.622
51 HG2 LYS 7 HG2 LYS 7 17.045 3.702 -14.522
52 HG3 LYS 7 HG3 LYS 7 17.576 3.753 -12.839
53 HD2 LYS 7 HD2 LYS 7 16.055 1.824 -12.383
54 HD3 LYS 7 HD3 LYS 7 15.744 1.726 -14.117
55 HE2 LYS 7 HE2 LYS 7 18.508 1.595 -12.931
56 HE3 LYS 7 HE3 LYS 7 17.515 0.166 -13.214
57 HZ1 LYS 7 HZ1 LYS 7 17.504 1.665 -15.558
58 HZ2 LYS 7 HZ2 LYS 7 18.223 0.158 -15.294
59 HZ3 LYS 7 HZ3 LYS 7 19.113 1.574 -15.046
60 H GLY 8 H GLY 8 16.686 4.469 -9.470
61 HA2 GLY 8 HA2 GLY 8 18.690 5.560 -8.852
62 HA3 GLY 8 HA3 GLY 8 18.454 6.693 -10.175
63 H ARG 9 H ARG 9 15.608 7.091 -9.371
64 HA ARG 9 HA ARG 9 16.118 8.836 -7.052
65 HB2 ARG 9 HB2 ARG 9 14.442 9.229 -9.513
66 HB3 ARG 9 HB3 ARG 9 14.085 10.116 -8.038
67 HG2 ARG 9 HG2 ARG 9 16.077 11.306 -8.121
68 HG3 ARG 9 HG3 ARG 9 16.841 10.137 -9.199
69 HD2 ARG 9 HD2 ARG 9 16.380 11.877 -10.642
70 HD3 ARG 9 HD3 ARG 9 14.965 10.846 -10.855
71 HE ARG 9 HE ARG 9 13.687 12.546 -10.043
72 HH11 ARG 9 HH11 ARG 9 16.964 13.013 -8.961
73 HH12 ARG 9 HH12 ARG 9 16.636 14.542 -8.214
74 HH21 ARG 9 HH21 ARG 9 13.245 14.557 -9.062
75 HH22 ARG 9 HH22 ARG 9 14.521 15.419 -8.271
76 H CYS 10 H CYS 10 15.207 8.071 -5.270
77 HA CYS 10 HA CYS 10 12.474 7.007 -5.431
78 HB2 CYS 10 HB2 CYS 10 14.439 5.259 -5.201
79 HB3 CYS 10 HB3 CYS 10 14.398 5.757 -3.514
80 H ARG 11 H ARG 11 11.279 8.391 -4.305
81 HA ARG 11 HA ARG 11 12.065 9.038 -1.574
82 HB2 ARG 11 HB2 ARG 11 12.001 10.959 -3.791
83 HB3 ARG 11 HB3 ARG 11 11.061 11.458 -2.391
84 HG2 ARG 11 HG2 ARG 11 13.280 10.726 -1.127
85 HG3 ARG 11 HG3 ARG 11 13.986 11.119 -2.698
86 HD2 ARG 11 HD2 ARG 11 12.400 12.909 -0.871
87 HD3 ARG 11 HD3 ARG 11 14.074 13.097 -1.393
88 HE ARG 11 HE ARG 11 12.709 13.187 -3.716
89 HH11 ARG 11 HH11 ARG 11 12.353 14.870 -0.691
90 HH12 ARG 11 HH12 ARG 11 11.702 16.304 -1.414
91 HH21 ARG 11 HH21 ARG 11 11.854 15.069 -4.681
92 HH22 ARG 11 HH22 ARG 11 11.417 16.415 -3.684
93 HA PRO 12 HA PRO 12 7.798 8.584 -0.669
94 HB2 PRO 12 HB2 PRO 12 7.402 10.453 1.260
95 HB3 PRO 12 HB3 PRO 12 8.320 8.967 1.535
96 HG2 PRO 12 HG2 PRO 12 9.318 11.729 0.954
97 HG3 PRO 12 HG3 PRO 12 9.918 10.547 2.132
98 HD2 PRO 12 HD2 PRO 12 11.115 10.955 -0.262
99 HD3 PRO 12 HD3 PRO 12 11.099 9.371 0.539
100 H LYS 13 H LYS 13 5.827 9.298 -1.330
101 HA LYS 13 HA LYS 13 5.734 11.604 -3.034
102 HB2 LYS 13 HB2 LYS 13 3.812 9.450 -2.254
103 HB3 LYS 13 HB3 LYS 13 3.194 10.909 -3.018
104 HG2 LYS 13 HG2 LYS 13 5.005 10.446 -4.808
105 HG3 LYS 13 HG3 LYS 13 5.006 8.814 -4.136
106 HD2 LYS 13 HD2 LYS 13 2.578 10.270 -5.182
107 HD3 LYS 13 HD3 LYS 13 3.484 9.036 -6.060
108 HE2 LYS 13 HE2 LYS 13 3.017 7.593 -3.935
109 HE3 LYS 13 HE3 LYS 13 1.721 8.757 -3.662
110 HZ1 LYS 13 HZ1 LYS 13 0.500 7.854 -5.269
111 HZ2 LYS 13 HZ2 LYS 13 1.569 6.544 -5.234
112 HZ3 LYS 13 HZ3 LYS 13 1.793 7.789 -6.357
113 HA PRO 14 HA PRO 14 4.180 14.650 -0.282
114 HB2 PRO 14 HB2 PRO 14 2.432 15.996 -1.865
115 HB3 PRO 14 HB3 PRO 14 4.186 16.106 -2.059
116 HG2 PRO 14 HG2 PRO 14 2.212 14.456 -3.589
117 HG3 PRO 14 HG3 PRO 14 3.587 15.401 -4.191
118 HD2 PRO 14 HD2 PRO 14 3.697 12.715 -3.864
119 HD3 PRO 14 HD3 PRO 14 5.114 13.763 -3.646
120 H ASN 15 H ASN 15 1.724 12.856 -2.097
121 HA ASN 15 HA ASN 15 -0.379 13.514 -0.246
122 HB2 ASN 15 HB2 ASN 15 -0.134 11.892 -2.729
123 HB3 ASN 15 HB3 ASN 15 -1.452 11.493 -1.631
124 HD21 ASN 15 HD21 ASN 15 -1.925 12.408 -4.175
125 HD22 ASN 15 HD22 ASN 15 -2.625 13.985 -4.097
126 H CYS 16 H CYS 16 1.941 10.955 -0.652
127 HA CYS 16 HA CYS 16 0.706 9.497 1.591
128 HB2 CYS 16 HB2 CYS 16 2.124 8.587 -0.864
129 HB3 CYS 16 HB3 CYS 16 2.370 7.653 0.608
130 H GLY 17 H GLY 17 1.760 10.884 3.114
131 HA2 GLY 17 HA2 GLY 17 4.687 10.550 3.246
132 HA3 GLY 17 HA3 GLY 17 3.789 11.861 3.997
133 HN1 NH2 18 H1 NH2 18 5.661 9.618 4.960
134 HN2 NH2 18 H2 NH2 18 4.887 8.947 6.326
Start of MODEL 8
1 H1 ARG 1 H ARG 1 1.113 -1.902 -0.093
2 HA ARG 1 HA ARG 1 -0.441 0.052 -0.892
3 HB2 ARG 1 HB2 ARG 1 -0.301 -1.028 1.448
4 HB3 ARG 1 HB3 ARG 1 0.706 0.351 1.870
5 HG2 ARG 1 HG2 ARG 1 -1.154 1.843 1.154
6 HG3 ARG 1 HG3 ARG 1 -2.154 0.405 0.942
7 HD2 ARG 1 HD2 ARG 1 -1.490 -0.130 3.381
8 HD3 ARG 1 HD3 ARG 1 -1.029 1.570 3.461
9 HE ARG 1 HE ARG 1 -3.559 1.615 2.457
10 HH11 ARG 1 HH11 ARG 1 -2.078 0.244 5.295
11 HH12 ARG 1 HH12 ARG 1 -3.504 0.388 6.266
12 HH21 ARG 1 HH21 ARG 1 -5.444 1.807 3.727
13 HH22 ARG 1 HH22 ARG 1 -5.418 1.276 5.373
14 H CYS 2 H CYS 2 0.264 1.636 -2.231
15 HA CYS 2 HA CYS 2 1.168 3.614 -2.895
16 HB2 CYS 2 HB2 CYS 2 0.135 4.260 -0.622
17 HB3 CYS 2 HB3 CYS 2 1.787 4.224 -0.013
18 H LYS 3 H LYS 3 2.865 1.836 -3.509
19 HA LYS 3 HA LYS 3 5.461 2.608 -2.345
20 HB2 LYS 3 HB2 LYS 3 4.378 0.002 -3.286
21 HB3 LYS 3 HB3 LYS 3 6.078 0.324 -3.601
22 HG2 LYS 3 HG2 LYS 3 5.813 -0.899 -1.531
23 HG3 LYS 3 HG3 LYS 3 6.441 0.720 -1.212
24 HD2 LYS 3 HD2 LYS 3 4.431 1.458 -0.307
25 HD3 LYS 3 HD3 LYS 3 3.496 0.186 -1.100
26 HE2 LYS 3 HE2 LYS 3 4.099 -1.408 0.455
27 HE3 LYS 3 HE3 LYS 3 5.571 -0.553 0.914
28 HZ1 LYS 3 HZ1 LYS 3 4.412 0.149 2.660
29 HZ2 LYS 3 HZ2 LYS 3 2.933 -0.345 2.006
30 HZ3 LYS 3 HZ3 LYS 3 3.574 1.167 1.597
31 H THR 4 H THR 4 6.565 3.931 -3.615
32 HA THR 4 HA THR 4 6.555 3.444 -6.514
33 HB THR 4 HB THR 4 5.080 5.358 -6.082
34 HG1 THR 4 HG1 THR 4 5.934 5.918 -7.936
35 HG21 THR 4 HG21 THR 4 5.579 7.086 -4.722
36 HG22 THR 4 HG22 THR 4 7.261 7.144 -5.248
37 HG23 THR 4 HG23 THR 4 6.758 5.972 -4.030
38 H CYS 5 H CYS 5 8.490 3.723 -7.548
39 HA CYS 5 HA CYS 5 10.707 5.086 -6.379
40 HB2 CYS 5 HB2 CYS 5 10.520 2.825 -5.125
41 HB3 CYS 5 HB3 CYS 5 11.114 2.116 -6.623
42 H SER 6 H SER 6 11.876 5.843 -8.008
43 HA SER 6 HA SER 6 11.659 4.510 -10.619
44 HB2 SER 6 HB2 SER 6 12.838 7.236 -10.368
45 HB3 SER 6 HB3 SER 6 11.815 6.566 -11.638
46 HG SER 6 HG SER 6 11.032 8.160 -9.788
47 H LYS 7 H LYS 7 13.647 4.809 -12.040
48 HA LYS 7 HA LYS 7 15.849 3.538 -10.783
49 HB2 LYS 7 HB2 LYS 7 15.291 4.605 -13.520
50 HB3 LYS 7 HB3 LYS 7 16.945 4.193 -13.091
51 HG2 LYS 7 HG2 LYS 7 14.745 2.225 -12.635
52 HG3 LYS 7 HG3 LYS 7 15.444 2.429 -14.242
53 HD2 LYS 7 HD2 LYS 7 17.713 2.136 -13.058
54 HD3 LYS 7 HD3 LYS 7 16.763 1.489 -11.717
55 HE2 LYS 7 HE2 LYS 7 17.450 -0.362 -13.037
56 HE3 LYS 7 HE3 LYS 7 15.734 -0.115 -13.354
57 HZ1 LYS 7 HZ1 LYS 7 17.031 -0.530 -15.379
58 HZ2 LYS 7 HZ2 LYS 7 17.931 0.872 -15.090
59 HZ3 LYS 7 HZ3 LYS 7 16.274 0.983 -15.407
60 H GLY 8 H GLY 8 16.842 4.726 -9.220
61 HA2 GLY 8 HA2 GLY 8 18.687 6.126 -8.712
62 HA3 GLY 8 HA3 GLY 8 18.336 7.069 -10.152
63 H ARG 9 H ARG 9 15.443 7.165 -9.425
64 HA ARG 9 HA ARG 9 15.670 9.240 -7.348
65 HB2 ARG 9 HB2 ARG 9 13.876 8.994 -9.752
66 HB3 ARG 9 HB3 ARG 9 13.476 10.062 -8.413
67 HG2 ARG 9 HG2 ARG 9 15.311 11.445 -8.810
68 HG3 ARG 9 HG3 ARG 9 16.125 10.230 -9.799
69 HD2 ARG 9 HD2 ARG 9 13.977 10.503 -11.297
70 HD3 ARG 9 HD3 ARG 9 13.887 12.069 -10.495
71 HE ARG 9 HE ARG 9 15.746 11.276 -12.516
72 HH11 ARG 9 HH11 ARG 9 15.302 13.336 -9.745
73 HH12 ARG 9 HH12 ARG 9 16.482 14.497 -10.254
74 HH21 ARG 9 HH21 ARG 9 17.302 12.797 -13.198
75 HH22 ARG 9 HH22 ARG 9 17.619 14.190 -12.220
76 H CYS 10 H CYS 10 14.902 8.614 -5.449
77 HA CYS 10 HA CYS 10 12.330 7.238 -5.330
78 HB2 CYS 10 HB2 CYS 10 14.468 5.663 -5.201
79 HB3 CYS 10 HB3 CYS 10 14.467 6.203 -3.524
80 H ARG 11 H ARG 11 11.144 8.595 -4.160
81 HA ARG 11 HA ARG 11 12.039 9.334 -1.502
82 HB2 ARG 11 HB2 ARG 11 11.723 11.283 -3.732
83 HB3 ARG 11 HB3 ARG 11 11.161 11.764 -2.138
84 HG2 ARG 11 HG2 ARG 11 13.609 10.789 -1.531
85 HG3 ARG 11 HG3 ARG 11 13.890 11.418 -3.156
86 HD2 ARG 11 HD2 ARG 11 12.399 13.126 -1.237
87 HD3 ARG 11 HD3 ARG 11 14.135 12.936 -0.995
88 HE ARG 11 HE ARG 11 13.954 13.566 -3.614
89 HH11 ARG 11 HH11 ARG 11 12.663 15.014 -0.723
90 HH12 ARG 11 HH12 ARG 11 12.678 16.624 -1.366
91 HH21 ARG 11 HH21 ARG 11 13.978 15.679 -4.470
92 HH22 ARG 11 HH22 ARG 11 13.426 17.000 -3.498
93 HA PRO 12 HA PRO 12 7.792 8.941 -0.480
94 HB2 PRO 12 HB2 PRO 12 7.469 10.838 1.435
95 HB3 PRO 12 HB3 PRO 12 8.375 9.344 1.704
96 HG2 PRO 12 HG2 PRO 12 9.389 12.088 1.064
97 HG3 PRO 12 HG3 PRO 12 10.007 10.913 2.239
98 HD2 PRO 12 HD2 PRO 12 11.145 11.279 -0.190
99 HD3 PRO 12 HD3 PRO 12 11.131 9.704 0.631
100 H LYS 13 H LYS 13 5.812 9.669 -1.098
101 HA LYS 13 HA LYS 13 5.676 11.888 -2.882
102 HB2 LYS 13 HB2 LYS 13 3.862 9.764 -1.939
103 HB3 LYS 13 HB3 LYS 13 3.067 11.267 -2.390
104 HG2 LYS 13 HG2 LYS 13 4.616 11.015 -4.523
105 HG3 LYS 13 HG3 LYS 13 4.532 9.312 -4.069
106 HD2 LYS 13 HD2 LYS 13 2.031 10.945 -4.214
107 HD3 LYS 13 HD3 LYS 13 2.757 10.311 -5.693
108 HE2 LYS 13 HE2 LYS 13 2.081 8.612 -3.299
109 HE3 LYS 13 HE3 LYS 13 0.986 8.860 -4.657
110 HZ1 LYS 13 HZ1 LYS 13 2.122 7.437 -5.918
111 HZ2 LYS 13 HZ2 LYS 13 2.844 6.903 -4.485
112 HZ3 LYS 13 HZ3 LYS 13 3.627 8.050 -5.450
113 HA PRO 14 HA PRO 14 4.508 15.193 -0.242
114 HB2 PRO 14 HB2 PRO 14 2.708 16.526 -1.776
115 HB3 PRO 14 HB3 PRO 14 4.442 16.526 -2.113
116 HG2 PRO 14 HG2 PRO 14 2.269 14.888 -3.362
117 HG3 PRO 14 HG3 PRO 14 3.635 15.712 -4.137
118 HD2 PRO 14 HD2 PRO 14 3.636 13.052 -3.626
119 HD3 PRO 14 HD3 PRO 14 5.117 14.032 -3.596
120 H ASN 15 H ASN 15 1.766 13.539 -1.784
121 HA ASN 15 HA ASN 15 0.013 14.290 0.417
122 HB2 ASN 15 HB2 ASN 15 -0.898 14.427 -1.838
123 HB3 ASN 15 HB3 ASN 15 -0.527 12.729 -2.117
124 HD21 ASN 15 HD21 ASN 15 -2.726 12.376 -2.596
125 HD22 ASN 15 HD22 ASN 15 -3.903 12.248 -1.337
126 H CYS 16 H CYS 16 1.787 11.547 -0.774
127 HA CYS 16 HA CYS 16 0.630 9.882 1.364
128 HB2 CYS 16 HB2 CYS 16 0.279 9.024 -0.939
129 HB3 CYS 16 HB3 CYS 16 2.025 8.968 -1.159
130 H GLY 17 H GLY 17 2.025 10.591 2.993
131 HA2 GLY 17 HA2 GLY 17 4.889 10.031 2.572
132 HA3 GLY 17 HA3 GLY 17 4.243 11.124 3.788
133 HN1 NH2 18 H1 NH2 18 3.821 10.367 5.788
134 HN2 NH2 18 H2 NH2 18 3.937 8.743 6.302
Start of MODEL 9
1 H1 ARG 1 H ARG 1 0.550 -0.555 0.707
2 HA ARG 1 HA ARG 1 3.371 0.263 0.627
3 HB2 ARG 1 HB2 ARG 1 2.066 -1.545 -1.417
4 HB3 ARG 1 HB3 ARG 1 3.738 -1.001 -1.412
5 HG2 ARG 1 HG2 ARG 1 2.444 -2.821 0.607
6 HG3 ARG 1 HG3 ARG 1 3.599 -3.285 -0.646
7 HD2 ARG 1 HD2 ARG 1 4.995 -3.096 1.161
8 HD3 ARG 1 HD3 ARG 1 5.095 -1.461 0.506
9 HE ARG 1 HE ARG 1 4.131 -0.698 2.425
10 HH11 ARG 1 HH11 ARG 1 3.427 -4.093 2.104
11 HH12 ARG 1 HH12 ARG 1 2.659 -4.214 3.652
12 HH21 ARG 1 HH21 ARG 1 3.121 -0.845 4.466
13 HH22 ARG 1 HH22 ARG 1 2.485 -2.365 4.995
14 H CYS 2 H CYS 2 3.727 2.082 -0.484
15 HA CYS 2 HA CYS 2 1.464 3.291 -1.889
16 HB2 CYS 2 HB2 CYS 2 3.989 4.368 -0.675
17 HB3 CYS 2 HB3 CYS 2 3.104 5.317 -1.865
18 H LYS 3 H LYS 3 2.387 4.887 -3.716
19 HA LYS 3 HA LYS 3 2.987 3.334 -5.919
20 HB2 LYS 3 HB2 LYS 3 2.342 5.936 -5.553
21 HB3 LYS 3 HB3 LYS 3 4.042 6.098 -5.975
22 HG2 LYS 3 HG2 LYS 3 3.723 5.416 -8.116
23 HG3 LYS 3 HG3 LYS 3 2.379 4.351 -7.693
24 HD2 LYS 3 HD2 LYS 3 1.285 6.742 -7.110
25 HD3 LYS 3 HD3 LYS 3 2.386 7.217 -8.405
26 HE2 LYS 3 HE2 LYS 3 0.597 6.651 -9.682
27 HE3 LYS 3 HE3 LYS 3 1.325 5.051 -9.542
28 HZ1 LYS 3 HZ1 LYS 3 -0.407 4.305 -8.390
29 HZ2 LYS 3 HZ2 LYS 3 -1.227 5.707 -8.864
30 HZ3 LYS 3 HZ3 LYS 3 -0.438 5.653 -7.368
31 H THR 4 H THR 4 4.855 2.913 -7.106
32 HA THR 4 HA THR 4 7.259 2.693 -5.515
33 HB THR 4 HB THR 4 6.556 0.831 -6.974
34 HG1 THR 4 HG1 THR 4 8.617 0.394 -7.112
35 HG21 THR 4 HG21 THR 4 7.443 2.416 -9.356
36 HG22 THR 4 HG22 THR 4 5.771 2.507 -8.802
37 HG23 THR 4 HG23 THR 4 6.456 0.957 -9.290
38 H CYS 5 H CYS 5 9.340 3.446 -6.212
39 HA CYS 5 HA CYS 5 9.161 6.005 -7.642
40 HB2 CYS 5 HB2 CYS 5 11.328 6.526 -6.551
41 HB3 CYS 5 HB3 CYS 5 10.047 6.188 -5.391
42 H SER 6 H SER 6 10.976 6.608 -9.041
43 HA SER 6 HA SER 6 11.498 4.626 -10.977
44 HB2 SER 6 HB2 SER 6 11.432 7.191 -11.256
45 HB3 SER 6 HB3 SER 6 13.109 7.157 -10.710
46 HG SER 6 HG SER 6 13.079 7.030 -12.942
47 H LYS 7 H LYS 7 13.795 4.198 -11.778
48 HA LYS 7 HA LYS 7 15.232 2.910 -9.662
49 HB2 LYS 7 HB2 LYS 7 15.589 3.145 -12.629
50 HB3 LYS 7 HB3 LYS 7 16.888 2.495 -11.638
51 HG2 LYS 7 HG2 LYS 7 15.695 0.610 -11.070
52 HG3 LYS 7 HG3 LYS 7 14.135 1.380 -11.369
53 HD2 LYS 7 HD2 LYS 7 16.109 0.798 -13.565
54 HD3 LYS 7 HD3 LYS 7 14.878 -0.363 -13.056
55 HE2 LYS 7 HE2 LYS 7 13.244 1.630 -13.411
56 HE3 LYS 7 HE3 LYS 7 14.549 2.294 -14.392
57 HZ1 LYS 7 HZ1 LYS 7 14.459 0.446 -15.838
58 HZ2 LYS 7 HZ2 LYS 7 12.859 0.947 -15.621
59 HZ3 LYS 7 HZ3 LYS 7 13.433 -0.421 -14.809
60 H GLY 8 H GLY 8 16.620 3.898 -8.359
61 HA2 GLY 8 HA2 GLY 8 18.647 5.026 -7.921
62 HA3 GLY 8 HA3 GLY 8 18.529 5.800 -9.494
63 H ARG 9 H ARG 9 15.682 6.521 -8.964
64 HA ARG 9 HA ARG 9 16.205 8.768 -7.132
65 HB2 ARG 9 HB2 ARG 9 14.632 8.597 -9.685
66 HB3 ARG 9 HB3 ARG 9 14.283 9.848 -8.499
67 HG2 ARG 9 HG2 ARG 9 16.391 10.838 -8.759
68 HG3 ARG 9 HG3 ARG 9 17.047 9.421 -9.580
69 HD2 ARG 9 HD2 ARG 9 15.451 9.852 -11.445
70 HD3 ARG 9 HD3 ARG 9 14.986 11.349 -10.638
71 HE ARG 9 HE ARG 9 16.926 12.312 -11.376
72 HH11 ARG 9 HH11 ARG 9 17.164 8.854 -11.714
73 HH12 ARG 9 HH12 ARG 9 18.653 8.911 -12.597
74 HH21 ARG 9 HH21 ARG 9 18.886 12.400 -12.540
75 HH22 ARG 9 HH22 ARG 9 19.632 10.929 -13.066
76 H CYS 10 H CYS 10 15.205 8.499 -5.254
77 HA CYS 10 HA CYS 10 12.403 7.642 -5.259
78 HB2 CYS 10 HB2 CYS 10 14.204 5.796 -4.648
79 HB3 CYS 10 HB3 CYS 10 14.168 6.605 -3.085
80 H ARG 11 H ARG 11 11.216 9.082 -4.214
81 HA ARG 11 HA ARG 11 12.320 10.415 -1.850
82 HB2 ARG 11 HB2 ARG 11 11.394 11.714 -4.366
83 HB3 ARG 11 HB3 ARG 11 10.996 12.499 -2.844
84 HG2 ARG 11 HG2 ARG 11 13.389 12.510 -2.256
85 HG3 ARG 11 HG3 ARG 11 13.753 11.803 -3.831
86 HD2 ARG 11 HD2 ARG 11 14.110 14.111 -4.094
87 HD3 ARG 11 HD3 ARG 11 12.542 13.796 -4.836
88 HE ARG 11 HE ARG 11 12.048 14.502 -2.204
89 HH11 ARG 11 HH11 ARG 11 13.458 15.952 -5.038
90 HH12 ARG 11 HH12 ARG 11 13.009 17.567 -4.595
91 HH21 ARG 11 HH21 ARG 11 11.452 16.622 -1.610
92 HH22 ARG 11 HH22 ARG 11 11.870 17.946 -2.645
93 HA PRO 12 HA PRO 12 8.374 9.790 -0.040
94 HB2 PRO 12 HB2 PRO 12 8.040 12.045 1.434
95 HB3 PRO 12 HB3 PRO 12 9.195 10.779 1.865
96 HG2 PRO 12 HG2 PRO 12 9.671 13.383 0.467
97 HG3 PRO 12 HG3 PRO 12 10.624 12.609 1.746
98 HD2 PRO 12 HD2 PRO 12 11.334 12.503 -0.864
99 HD3 PRO 12 HD3 PRO 12 11.681 11.184 0.273
100 H LYS 13 H LYS 13 6.239 10.112 -0.449
101 HA LYS 13 HA LYS 13 5.549 11.974 -2.548
102 HB2 LYS 13 HB2 LYS 13 4.111 9.761 -1.123
103 HB3 LYS 13 HB3 LYS 13 3.211 10.907 -2.108
104 HG2 LYS 13 HG2 LYS 13 5.561 9.364 -3.164
105 HG3 LYS 13 HG3 LYS 13 3.907 8.750 -3.224
106 HD2 LYS 13 HD2 LYS 13 4.591 11.461 -4.309
107 HD3 LYS 13 HD3 LYS 13 4.832 10.006 -5.278
108 HE2 LYS 13 HE2 LYS 13 2.206 10.443 -3.936
109 HE3 LYS 13 HE3 LYS 13 2.581 11.349 -5.399
110 HZ1 LYS 13 HZ1 LYS 13 3.180 8.555 -5.629
111 HZ2 LYS 13 HZ2 LYS 13 2.282 9.553 -6.658
112 HZ3 LYS 13 HZ3 LYS 13 1.544 8.842 -5.310
113 HA PRO 14 HA PRO 14 3.798 15.192 -0.135
114 HB2 PRO 14 HB2 PRO 14 1.661 15.923 -1.643
115 HB3 PRO 14 HB3 PRO 14 3.330 16.274 -2.108
116 HG2 PRO 14 HG2 PRO 14 1.527 14.074 -3.038
117 HG3 PRO 14 HG3 PRO 14 2.625 15.095 -3.984
118 HD2 PRO 14 HD2 PRO 14 3.262 12.571 -3.239
119 HD3 PRO 14 HD3 PRO 14 4.478 13.852 -3.407
120 H ASN 15 H ASN 15 1.581 12.658 -1.196
121 HA ASN 15 HA ASN 15 -0.207 13.261 1.047
122 HB2 ASN 15 HB2 ASN 15 -0.528 11.674 -1.486
123 HB3 ASN 15 HB3 ASN 15 -1.637 11.451 -0.136
124 HD21 ASN 15 HD21 ASN 15 -3.444 12.306 -0.990
125 HD22 ASN 15 HD22 ASN 15 -3.602 13.954 -1.483
126 H CYS 16 H CYS 16 2.033 10.887 -0.149
127 HA CYS 16 HA CYS 16 1.432 9.164 2.165
128 HB2 CYS 16 HB2 CYS 16 1.092 7.965 0.102
129 HB3 CYS 16 HB3 CYS 16 2.658 8.484 -0.513
130 H GLY 17 H GLY 17 2.742 10.182 3.667
131 HA2 GLY 17 HA2 GLY 17 5.534 10.687 3.047
132 HA3 GLY 17 HA3 GLY 17 4.722 11.027 4.569
133 HN1 NH2 18 H1 NH2 18 4.707 9.498 6.187
134 HN2 NH2 18 H2 NH2 18 5.602 8.043 6.164
Start of MODEL 10
1 H1 ARG 1 H ARG 1 -2.605 3.605 0.255
2 HA ARG 1 HA ARG 1 -0.325 1.741 0.171
3 HB2 ARG 1 HB2 ARG 1 -0.766 1.539 -2.286
4 HB3 ARG 1 HB3 ARG 1 -2.016 0.841 -1.265
5 HG2 ARG 1 HG2 ARG 1 -2.354 3.648 -2.171
6 HG3 ARG 1 HG3 ARG 1 -2.600 2.350 -3.341
7 HD2 ARG 1 HD2 ARG 1 -4.083 1.314 -1.473
8 HD3 ARG 1 HD3 ARG 1 -4.109 2.956 -0.832
9 HE ARG 1 HE ARG 1 -5.564 3.522 -2.492
10 HH11 ARG 1 HH11 ARG 1 -3.895 0.610 -3.419
11 HH12 ARG 1 HH12 ARG 1 -4.839 0.371 -4.854
12 HH21 ARG 1 HH21 ARG 1 -6.812 3.218 -4.377
13 HH22 ARG 1 HH22 ARG 1 -6.497 1.854 -5.397
14 H CYS 2 H CYS 2 1.043 2.402 -1.935
15 HA CYS 2 HA CYS 2 1.248 5.255 -2.318
16 HB2 CYS 2 HB2 CYS 2 2.506 4.507 -0.120
17 HB3 CYS 2 HB3 CYS 2 3.740 3.982 -1.262
18 H LYS 3 H LYS 3 2.974 5.814 -3.868
19 HA LYS 3 HA LYS 3 3.084 3.840 -5.969
20 HB2 LYS 3 HB2 LYS 3 3.728 6.735 -5.707
21 HB3 LYS 3 HB3 LYS 3 4.541 5.837 -6.982
22 HG2 LYS 3 HG2 LYS 3 1.590 5.576 -6.718
23 HG3 LYS 3 HG3 LYS 3 2.258 7.056 -7.412
24 HD2 LYS 3 HD2 LYS 3 3.046 4.319 -8.380
25 HD3 LYS 3 HD3 LYS 3 1.660 5.193 -9.037
26 HE2 LYS 3 HE2 LYS 3 2.973 6.803 -10.021
27 HE3 LYS 3 HE3 LYS 3 4.297 6.574 -8.878
28 HZ1 LYS 3 HZ1 LYS 3 4.081 4.184 -10.199
29 HZ2 LYS 3 HZ2 LYS 3 5.262 5.367 -10.451
30 HZ3 LYS 3 HZ3 LYS 3 3.870 5.345 -11.412
31 H THR 4 H THR 4 5.113 3.341 -7.107
32 HA THR 4 HA THR 4 7.191 2.677 -5.184
33 HB THR 4 HB THR 4 7.130 1.943 -8.111
34 HG1 THR 4 HG1 THR 4 6.168 0.352 -5.958
35 HG21 THR 4 HG21 THR 4 8.414 -0.057 -7.125
36 HG22 THR 4 HG22 THR 4 8.625 0.958 -5.697
37 HG23 THR 4 HG23 THR 4 9.262 1.484 -7.255
38 H CYS 5 H CYS 5 9.419 3.134 -5.534
39 HA CYS 5 HA CYS 5 9.874 5.775 -6.569
40 HB2 CYS 5 HB2 CYS 5 11.672 3.727 -5.275
41 HB3 CYS 5 HB3 CYS 5 12.268 5.276 -5.859
42 H SER 6 H SER 6 11.679 6.261 -8.051
43 HA SER 6 HA SER 6 11.565 4.483 -10.350
44 HB2 SER 6 HB2 SER 6 12.456 7.321 -9.928
45 HB3 SER 6 HB3 SER 6 12.921 6.448 -11.387
46 HG SER 6 HG SER 6 10.790 7.740 -11.205
47 H LYS 7 H LYS 7 13.661 4.303 -11.653
48 HA LYS 7 HA LYS 7 15.578 2.945 -10.051
49 HB2 LYS 7 HB2 LYS 7 15.756 3.786 -12.951
50 HB3 LYS 7 HB3 LYS 7 16.797 2.613 -12.155
51 HG2 LYS 7 HG2 LYS 7 13.850 2.176 -12.149
52 HG3 LYS 7 HG3 LYS 7 14.776 1.833 -13.612
53 HD2 LYS 7 HD2 LYS 7 15.727 0.763 -10.992
54 HD3 LYS 7 HD3 LYS 7 14.384 -0.034 -11.815
55 HE2 LYS 7 HE2 LYS 7 15.733 -0.417 -13.763
56 HE3 LYS 7 HE3 LYS 7 17.048 0.551 -13.100
57 HZ1 LYS 7 HZ1 LYS 7 17.375 -1.072 -11.379
58 HZ2 LYS 7 HZ2 LYS 7 17.425 -1.850 -12.881
59 HZ3 LYS 7 HZ3 LYS 7 16.047 -1.976 -11.907
60 H GLY 8 H GLY 8 16.830 4.086 -8.697
61 HA2 GLY 8 HA2 GLY 8 18.818 5.305 -8.323
62 HA3 GLY 8 HA3 GLY 8 18.591 6.105 -9.871
63 H ARG 9 H ARG 9 15.738 6.668 -9.202
64 HA ARG 9 HA ARG 9 16.227 8.896 -7.337
65 HB2 ARG 9 HB2 ARG 9 14.562 8.714 -9.831
66 HB3 ARG 9 HB3 ARG 9 14.212 9.922 -8.601
67 HG2 ARG 9 HG2 ARG 9 16.272 11.000 -8.916
68 HG3 ARG 9 HG3 ARG 9 16.939 9.635 -9.815
69 HD2 ARG 9 HD2 ARG 9 16.389 11.425 -11.341
70 HD3 ARG 9 HD3 ARG 9 15.309 10.059 -11.614
71 HE ARG 9 HE ARG 9 14.098 11.836 -9.810
72 HH11 ARG 9 HH11 ARG 9 15.010 11.627 -13.164
73 HH12 ARG 9 HH12 ARG 9 13.755 12.692 -13.706
74 HH21 ARG 9 HH21 ARG 9 12.442 13.238 -10.511
75 HH22 ARG 9 HH22 ARG 9 12.295 13.609 -12.196
76 H CYS 10 H CYS 10 15.293 8.569 -5.437
77 HA CYS 10 HA CYS 10 12.556 7.513 -5.371
78 HB2 CYS 10 HB2 CYS 10 14.034 5.633 -4.847
79 HB3 CYS 10 HB3 CYS 10 14.813 6.579 -3.585
80 H ARG 11 H ARG 11 11.373 9.096 -4.536
81 HA ARG 11 HA ARG 11 12.383 10.483 -2.144
82 HB2 ARG 11 HB2 ARG 11 11.312 11.633 -4.675
83 HB3 ARG 11 HB3 ARG 11 10.887 12.432 -3.168
84 HG2 ARG 11 HG2 ARG 11 13.615 12.018 -2.959
85 HG3 ARG 11 HG3 ARG 11 13.369 12.468 -4.647
86 HD2 ARG 11 HD2 ARG 11 12.358 14.006 -2.259
87 HD3 ARG 11 HD3 ARG 11 13.784 14.420 -3.210
88 HE ARG 11 HE ARG 11 11.549 14.223 -4.908
89 HH11 ARG 11 HH11 ARG 11 12.873 16.261 -2.415
90 HH12 ARG 11 HH12 ARG 11 12.116 17.701 -3.010
91 HH21 ARG 11 HH21 ARG 11 10.548 16.112 -5.701
92 HH22 ARG 11 HH22 ARG 11 10.793 17.616 -4.878
93 HA PRO 12 HA PRO 12 8.532 9.623 -0.229
94 HB2 PRO 12 HB2 PRO 12 8.061 11.890 1.188
95 HB3 PRO 12 HB3 PRO 12 9.315 10.726 1.628
96 HG2 PRO 12 HG2 PRO 12 9.568 13.315 0.146
97 HG3 PRO 12 HG3 PRO 12 10.602 12.652 1.425
98 HD2 PRO 12 HD2 PRO 12 11.264 12.521 -1.197
99 HD3 PRO 12 HD3 PRO 12 11.730 11.266 -0.030
100 H LYS 13 H LYS 13 6.370 9.773 -0.599
101 HA LYS 13 HA LYS 13 5.501 11.508 -2.737
102 HB2 LYS 13 HB2 LYS 13 4.339 9.198 -1.248
103 HB3 LYS 13 HB3 LYS 13 3.241 10.285 -2.087
104 HG2 LYS 13 HG2 LYS 13 3.747 8.455 -3.533
105 HG3 LYS 13 HG3 LYS 13 4.538 9.898 -4.170
106 HD2 LYS 13 HD2 LYS 13 6.658 9.183 -3.465
107 HD3 LYS 13 HD3 LYS 13 5.981 7.979 -2.365
108 HE2 LYS 13 HE2 LYS 13 5.277 6.609 -4.195
109 HE3 LYS 13 HE3 LYS 13 5.689 7.862 -5.362
110 HZ1 LYS 13 HZ1 LYS 13 7.329 5.990 -5.117
111 HZ2 LYS 13 HZ2 LYS 13 7.707 6.613 -3.590
112 HZ3 LYS 13 HZ3 LYS 13 7.973 7.548 -4.976
113 HA PRO 14 HA PRO 14 3.583 14.685 -0.395
114 HB2 PRO 14 HB2 PRO 14 1.365 15.209 -1.870
115 HB3 PRO 14 HB3 PRO 14 2.994 15.657 -2.390
116 HG2 PRO 14 HG2 PRO 14 1.329 13.303 -3.197
117 HG3 PRO 14 HG3 PRO 14 2.330 14.363 -4.205
118 HD2 PRO 14 HD2 PRO 14 3.161 11.919 -3.389
119 HD3 PRO 14 HD3 PRO 14 4.280 13.274 -3.634
120 H ASN 15 H ASN 15 1.489 11.994 -1.336
121 HA ASN 15 HA ASN 15 -0.414 12.585 0.771
122 HB2 ASN 15 HB2 ASN 15 -0.914 11.589 -1.586
123 HB3 ASN 15 HB3 ASN 15 -0.423 10.061 -0.858
124 HD21 ASN 15 HD21 ASN 15 -2.994 10.672 -1.877
125 HD22 ASN 15 HD22 ASN 15 -4.111 10.592 -0.562
126 H CYS 16 H CYS 16 2.290 10.476 0.197
127 HA CYS 16 HA CYS 16 1.714 8.891 2.578
128 HB2 CYS 16 HB2 CYS 16 4.093 8.652 0.731
129 HB3 CYS 16 HB3 CYS 16 3.507 7.457 1.883
130 H GLY 17 H GLY 17 3.845 8.371 3.881
131 HA2 GLY 17 HA2 GLY 17 6.012 9.736 4.370
132 HA3 GLY 17 HA3 GLY 17 4.843 10.981 4.781
133 HN1 NH2 18 H1 NH2 18 6.732 9.997 6.595
134 HN2 NH2 18 H2 NH2 18 5.952 9.174 7.873
Start of MODEL 11
1 H1 ARG 1 H ARG 1 3.314 0.120 -0.404
2 HA ARG 1 HA ARG 1 0.711 0.305 0.952
3 HB2 ARG 1 HB2 ARG 1 1.644 2.308 2.171
4 HB3 ARG 1 HB3 ARG 1 2.298 0.754 2.665
5 HG2 ARG 1 HG2 ARG 1 4.282 1.162 1.282
6 HG3 ARG 1 HG3 ARG 1 3.628 2.738 0.833
7 HD2 ARG 1 HD2 ARG 1 3.534 3.218 3.337
8 HD3 ARG 1 HD3 ARG 1 4.554 1.793 3.531
9 HE ARG 1 HE ARG 1 5.361 4.372 2.607
10 HH11 ARG 1 HH11 ARG 1 6.014 0.961 2.354
11 HH12 ARG 1 HH12 ARG 1 7.675 1.178 1.912
12 HH21 ARG 1 HH21 ARG 1 7.547 4.671 2.024
13 HH22 ARG 1 HH22 ARG 1 8.546 3.288 1.725
14 H CYS 2 H CYS 2 3.127 1.909 -1.065
15 HA CYS 2 HA CYS 2 0.968 3.300 -2.459
16 HB2 CYS 2 HB2 CYS 2 3.198 4.583 -0.960
17 HB3 CYS 2 HB3 CYS 2 2.727 5.302 -2.498
18 H LYS 3 H LYS 3 2.102 4.614 -4.370
19 HA LYS 3 HA LYS 3 3.038 2.764 -6.196
20 HB2 LYS 3 HB2 LYS 3 3.548 5.745 -6.166
21 HB3 LYS 3 HB3 LYS 3 3.741 4.696 -7.564
22 HG2 LYS 3 HG2 LYS 3 1.245 4.102 -7.115
23 HG3 LYS 3 HG3 LYS 3 1.248 5.625 -6.220
24 HD2 LYS 3 HD2 LYS 3 2.283 5.433 -9.035
25 HD3 LYS 3 HD3 LYS 3 0.573 5.702 -8.687
26 HE2 LYS 3 HE2 LYS 3 0.945 7.796 -7.806
27 HE3 LYS 3 HE3 LYS 3 2.613 7.430 -7.367
28 HZ1 LYS 3 HZ1 LYS 3 2.126 7.336 -10.198
29 HZ2 LYS 3 HZ2 LYS 3 3.351 8.125 -9.338
30 HZ3 LYS 3 HZ3 LYS 3 1.840 8.862 -9.528
31 H THR 4 H THR 4 5.160 2.702 -7.295
32 HA THR 4 HA THR 4 7.304 2.700 -5.301
33 HB THR 4 HB THR 4 6.975 0.588 -6.451
34 HG1 THR 4 HG1 THR 4 9.172 0.535 -7.496
35 HG21 THR 4 HG21 THR 4 7.922 1.157 -9.062
36 HG22 THR 4 HG22 THR 4 6.590 2.261 -8.728
37 HG23 THR 4 HG23 THR 4 6.348 0.520 -8.587
38 H CYS 5 H CYS 5 9.393 3.529 -5.801
39 HA CYS 5 HA CYS 5 9.275 5.932 -7.425
40 HB2 CYS 5 HB2 CYS 5 11.459 6.454 -6.429
41 HB3 CYS 5 HB3 CYS 5 10.271 6.056 -5.192
42 H SER 6 H SER 6 11.289 6.467 -8.738
43 HA SER 6 HA SER 6 11.603 4.438 -10.731
44 HB2 SER 6 HB2 SER 6 12.743 7.210 -10.392
45 HB3 SER 6 HB3 SER 6 13.215 6.161 -11.730
46 HG SER 6 HG SER 6 11.407 7.642 -12.126
47 H LYS 7 H LYS 7 13.872 3.991 -11.612
48 HA LYS 7 HA LYS 7 15.376 2.729 -9.528
49 HB2 LYS 7 HB2 LYS 7 15.652 2.932 -12.509
50 HB3 LYS 7 HB3 LYS 7 16.962 2.267 -11.541
51 HG2 LYS 7 HG2 LYS 7 15.291 0.647 -10.590
52 HG3 LYS 7 HG3 LYS 7 14.161 1.217 -11.820
53 HD2 LYS 7 HD2 LYS 7 15.799 0.589 -13.562
54 HD3 LYS 7 HD3 LYS 7 16.853 -0.060 -12.304
55 HE2 LYS 7 HE2 LYS 7 15.029 -1.608 -11.648
56 HE3 LYS 7 HE3 LYS 7 14.077 -1.009 -13.005
57 HZ1 LYS 7 HZ1 LYS 7 16.546 -2.620 -13.053
58 HZ2 LYS 7 HZ2 LYS 7 16.103 -1.689 -14.394
59 HZ3 LYS 7 HZ3 LYS 7 15.074 -2.909 -13.833
60 H GLY 8 H GLY 8 16.587 3.944 -8.210
61 HA2 GLY 8 HA2 GLY 8 18.657 5.036 -7.807
62 HA3 GLY 8 HA3 GLY 8 18.601 5.686 -9.438
63 H ARG 9 H ARG 9 15.751 6.485 -9.060
64 HA ARG 9 HA ARG 9 16.258 8.869 -7.403
65 HB2 ARG 9 HB2 ARG 9 14.726 8.500 -9.962
66 HB3 ARG 9 HB3 ARG 9 14.386 9.857 -8.897
67 HG2 ARG 9 HG2 ARG 9 16.536 10.764 -9.193
68 HG3 ARG 9 HG3 ARG 9 17.148 9.275 -9.917
69 HD2 ARG 9 HD2 ARG 9 16.784 10.957 -11.627
70 HD3 ARG 9 HD3 ARG 9 15.661 9.616 -11.840
71 HE ARG 9 HE ARG 9 14.422 11.592 -10.284
72 HH11 ARG 9 HH11 ARG 9 15.543 11.067 -13.538
73 HH12 ARG 9 HH12 ARG 9 14.376 12.131 -14.251
74 HH21 ARG 9 HH21 ARG 9 12.882 12.996 -11.210
75 HH22 ARG 9 HH22 ARG 9 12.865 13.229 -12.925
76 H CYS 10 H CYS 10 15.191 8.816 -5.546
77 HA CYS 10 HA CYS 10 12.382 8.012 -5.537
78 HB2 CYS 10 HB2 CYS 10 14.411 6.926 -3.572
79 HB3 CYS 10 HB3 CYS 10 12.676 6.628 -3.537
80 H ARG 11 H ARG 11 11.126 9.138 -4.117
81 HA ARG 11 HA ARG 11 12.341 10.748 -2.034
82 HB2 ARG 11 HB2 ARG 11 11.210 11.887 -4.546
83 HB3 ARG 11 HB3 ARG 11 10.887 12.735 -3.039
84 HG2 ARG 11 HG2 ARG 11 13.262 12.956 -2.618
85 HG3 ARG 11 HG3 ARG 11 13.625 12.027 -4.075
86 HD2 ARG 11 HD2 ARG 11 13.880 14.410 -4.490
87 HD3 ARG 11 HD3 ARG 11 12.548 13.751 -5.438
88 HE ARG 11 HE ARG 11 11.748 14.888 -2.918
89 HH11 ARG 11 HH11 ARG 11 12.386 15.511 -6.282
90 HH12 ARG 11 HH12 ARG 11 11.386 16.925 -6.345
91 HH21 ARG 11 HH21 ARG 11 10.429 16.749 -2.986
92 HH22 ARG 11 HH22 ARG 11 10.275 17.629 -4.469
93 HA PRO 12 HA PRO 12 8.537 10.081 0.045
94 HB2 PRO 12 HB2 PRO 12 8.206 12.394 1.427
95 HB3 PRO 12 HB3 PRO 12 9.433 11.191 1.845
96 HG2 PRO 12 HG2 PRO 12 9.727 13.735 0.296
97 HG3 PRO 12 HG3 PRO 12 10.783 13.062 1.550
98 HD2 PRO 12 HD2 PRO 12 11.338 12.847 -1.090
99 HD3 PRO 12 HD3 PRO 12 11.802 11.602 0.085
100 H LYS 13 H LYS 13 6.371 10.307 -0.245
101 HA LYS 13 HA LYS 13 5.485 12.020 -2.393
102 HB2 LYS 13 HB2 LYS 13 4.197 9.877 -0.730
103 HB3 LYS 13 HB3 LYS 13 3.216 10.924 -1.749
104 HG2 LYS 13 HG2 LYS 13 5.558 9.409 -2.849
105 HG3 LYS 13 HG3 LYS 13 3.959 8.677 -2.705
106 HD2 LYS 13 HD2 LYS 13 3.007 10.190 -4.223
107 HD3 LYS 13 HD3 LYS 13 4.363 11.313 -4.086
108 HE2 LYS 13 HE2 LYS 13 5.808 9.579 -5.149
109 HE3 LYS 13 HE3 LYS 13 4.363 8.604 -5.411
110 HZ1 LYS 13 HZ1 LYS 13 3.446 10.463 -6.714
111 HZ2 LYS 13 HZ2 LYS 13 4.864 9.834 -7.388
112 HZ3 LYS 13 HZ3 LYS 13 4.907 11.297 -6.537
113 HA PRO 14 HA PRO 14 3.798 15.341 -0.070
114 HB2 PRO 14 HB2 PRO 14 1.545 15.916 -1.471
115 HB3 PRO 14 HB3 PRO 14 3.169 16.280 -2.070
116 HG2 PRO 14 HG2 PRO 14 1.375 13.977 -2.738
117 HG3 PRO 14 HG3 PRO 14 2.377 14.965 -3.818
118 HD2 PRO 14 HD2 PRO 14 3.138 12.511 -2.962
119 HD3 PRO 14 HD3 PRO 14 4.302 13.811 -3.293
120 H ASN 15 H ASN 15 1.419 12.844 -0.942
121 HA ASN 15 HA ASN 15 -0.032 13.415 1.548
122 HB2 ASN 15 HB2 ASN 15 -1.389 13.486 -0.492
123 HB3 ASN 15 HB3 ASN 15 -0.897 11.842 -0.889
124 HD21 ASN 15 HD21 ASN 15 -2.055 13.457 2.052
125 HD22 ASN 15 HD22 ASN 15 -3.324 12.331 2.374
126 H CYS 16 H CYS 16 1.796 10.991 -0.146
127 HA CYS 16 HA CYS 16 1.260 9.047 1.993
128 HB2 CYS 16 HB2 CYS 16 0.943 8.449 -0.488
129 HB3 CYS 16 HB3 CYS 16 2.701 8.457 -0.586
130 H GLY 17 H GLY 17 2.783 10.902 3.004
131 HA2 GLY 17 HA2 GLY 17 5.599 10.360 2.521
132 HA3 GLY 17 HA3 GLY 17 4.941 11.556 3.627
133 HN1 NH2 18 H1 NH2 18 3.238 9.879 5.114
134 HN2 NH2 18 H2 NH2 18 4.165 8.813 6.075
Start of MODEL 12
1 H1 ARG 1 H ARG 1 8.267 4.918 -0.905
2 HA ARG 1 HA ARG 1 7.836 2.822 0.984
3 HB2 ARG 1 HB2 ARG 1 8.338 5.339 1.399
4 HB3 ARG 1 HB3 ARG 1 6.603 5.550 1.206
5 HG2 ARG 1 HG2 ARG 1 6.846 5.336 3.491
6 HG3 ARG 1 HG3 ARG 1 6.411 3.700 2.995
7 HD2 ARG 1 HD2 ARG 1 8.195 3.245 4.352
8 HD3 ARG 1 HD3 ARG 1 9.022 3.423 2.806
9 HE ARG 1 HE ARG 1 10.080 5.267 3.637
10 HH11 ARG 1 HH11 ARG 1 7.283 4.596 5.601
11 HH12 ARG 1 HH12 ARG 1 7.663 5.804 6.783
12 HH21 ARG 1 HH21 ARG 1 10.589 6.862 5.188
13 HH22 ARG 1 HH22 ARG 1 9.541 7.093 6.546
14 H CYS 2 H CYS 2 5.665 4.891 -0.926
15 HA CYS 2 HA CYS 2 3.424 3.139 -0.212
16 HB2 CYS 2 HB2 CYS 2 3.337 5.799 -1.646
17 HB3 CYS 2 HB3 CYS 2 1.969 4.909 -0.987
18 H LYS 3 H LYS 3 4.485 4.909 -3.125
19 HA LYS 3 HA LYS 3 3.621 2.588 -4.723
20 HB2 LYS 3 HB2 LYS 3 2.497 4.955 -4.951
21 HB3 LYS 3 HB3 LYS 3 3.929 5.322 -5.902
22 HG2 LYS 3 HG2 LYS 3 2.267 4.655 -7.431
23 HG3 LYS 3 HG3 LYS 3 3.386 3.297 -7.296
24 HD2 LYS 3 HD2 LYS 3 1.380 2.197 -7.125
25 HD3 LYS 3 HD3 LYS 3 1.705 2.527 -5.422
26 HE2 LYS 3 HE2 LYS 3 -0.578 3.092 -5.876
27 HE3 LYS 3 HE3 LYS 3 0.321 4.587 -5.625
28 HZ1 LYS 3 HZ1 LYS 3 -0.163 3.491 -8.329
29 HZ2 LYS 3 HZ2 LYS 3 0.293 5.062 -7.900
30 HZ3 LYS 3 HZ3 LYS 3 -1.273 4.518 -7.570
31 H THR 4 H THR 4 4.850 2.150 -6.674
32 HA THR 4 HA THR 4 7.574 1.893 -6.257
33 HB THR 4 HB THR 4 6.475 2.123 -9.043
34 HG1 THR 4 HG1 THR 4 5.869 -0.164 -8.694
35 HG21 THR 4 HG21 THR 4 7.974 0.066 -9.270
36 HG22 THR 4 HG22 THR 4 8.601 0.491 -7.679
37 HG23 THR 4 HG23 THR 4 8.775 1.616 -9.025
38 H CYS 5 H CYS 5 9.401 2.943 -7.107
39 HA CYS 5 HA CYS 5 8.928 5.708 -8.011
40 HB2 CYS 5 HB2 CYS 5 11.138 6.221 -6.854
41 HB3 CYS 5 HB3 CYS 5 9.764 5.900 -5.802
42 H SER 6 H SER 6 10.927 6.643 -9.101
43 HA SER 6 HA SER 6 11.566 5.030 -11.339
44 HB2 SER 6 HB2 SER 6 11.452 7.615 -11.155
45 HB3 SER 6 HB3 SER 6 13.115 7.496 -10.583
46 HG SER 6 HG SER 6 13.752 7.051 -12.541
47 H LYS 7 H LYS 7 13.913 4.798 -12.079
48 HA LYS 7 HA LYS 7 15.288 3.225 -10.105
49 HB2 LYS 7 HB2 LYS 7 15.094 2.760 -12.632
50 HB3 LYS 7 HB3 LYS 7 16.374 3.952 -12.816
51 HG2 LYS 7 HG2 LYS 7 17.574 2.461 -11.015
52 HG3 LYS 7 HG3 LYS 7 16.473 1.227 -11.633
53 HD2 LYS 7 HD2 LYS 7 18.276 2.894 -13.383
54 HD3 LYS 7 HD3 LYS 7 18.716 1.304 -12.755
55 HE2 LYS 7 HE2 LYS 7 16.505 0.516 -13.816
56 HE3 LYS 7 HE3 LYS 7 16.567 2.030 -14.717
57 HZ1 LYS 7 HZ1 LYS 7 18.040 1.156 -16.099
58 HZ2 LYS 7 HZ2 LYS 7 17.852 -0.339 -15.332
59 HZ3 LYS 7 HZ3 LYS 7 19.071 0.721 -14.831
60 H GLY 8 H GLY 8 16.621 4.056 -8.644
61 HA2 GLY 8 HA2 GLY 8 18.618 5.139 -8.005
62 HA3 GLY 8 HA3 GLY 8 18.533 6.109 -9.468
63 H ARG 9 H ARG 9 15.662 6.723 -8.939
64 HA ARG 9 HA ARG 9 16.098 8.722 -6.819
65 HB2 ARG 9 HB2 ARG 9 14.594 8.864 -9.416
66 HB3 ARG 9 HB3 ARG 9 14.211 9.956 -8.093
67 HG2 ARG 9 HG2 ARG 9 16.316 10.978 -8.175
68 HG3 ARG 9 HG3 ARG 9 17.001 9.677 -9.149
69 HD2 ARG 9 HD2 ARG 9 15.987 10.415 -11.087
70 HD3 ARG 9 HD3 ARG 9 14.708 11.260 -10.216
71 HE ARG 9 HE ARG 9 16.037 13.118 -10.149
72 HH11 ARG 9 HH11 ARG 9 18.002 10.346 -10.909
73 HH12 ARG 9 HH12 ARG 9 19.426 11.280 -11.233
74 HH21 ARG 9 HH21 ARG 9 17.904 14.358 -10.572
75 HH22 ARG 9 HH22 ARG 9 19.368 13.562 -11.041
76 H CYS 10 H CYS 10 15.001 8.301 -5.030
77 HA CYS 10 HA CYS 10 12.222 7.428 -5.224
78 HB2 CYS 10 HB2 CYS 10 13.955 5.471 -4.880
79 HB3 CYS 10 HB3 CYS 10 13.950 6.040 -3.214
80 H ARG 11 H ARG 11 11.056 8.775 -4.037
81 HA ARG 11 HA ARG 11 12.008 9.586 -1.404
82 HB2 ARG 11 HB2 ARG 11 11.788 11.365 -3.730
83 HB3 ARG 11 HB3 ARG 11 10.948 11.950 -2.301
84 HG2 ARG 11 HG2 ARG 11 12.868 12.265 -1.124
85 HG3 ARG 11 HG3 ARG 11 13.723 10.967 -1.960
86 HD2 ARG 11 HD2 ARG 11 14.577 12.383 -3.454
87 HD3 ARG 11 HD3 ARG 11 12.998 13.098 -3.775
88 HE ARG 11 HE ARG 11 15.061 14.179 -2.137
89 HH11 ARG 11 HH11 ARG 11 11.605 13.957 -2.487
90 HH12 ARG 11 HH12 ARG 11 11.292 15.443 -1.652
91 HH21 ARG 11 HH21 ARG 11 14.664 16.136 -1.035
92 HH22 ARG 11 HH22 ARG 11 13.034 16.682 -0.827
93 HA PRO 12 HA PRO 12 7.808 9.189 -0.202
94 HB2 PRO 12 HB2 PRO 12 7.528 11.176 1.625
95 HB3 PRO 12 HB3 PRO 12 8.466 9.711 1.935
96 HG2 PRO 12 HG2 PRO 12 9.414 12.431 1.119
97 HG3 PRO 12 HG3 PRO 12 10.093 11.326 2.329
98 HD2 PRO 12 HD2 PRO 12 11.134 11.583 -0.157
99 HD3 PRO 12 HD3 PRO 12 11.174 10.053 0.741
100 H LYS 13 H LYS 13 5.797 9.857 -0.783
101 HA LYS 13 HA LYS 13 5.598 12.093 -2.587
102 HB2 LYS 13 HB2 LYS 13 3.803 9.880 -1.711
103 HB3 LYS 13 HB3 LYS 13 3.064 11.316 -2.410
104 HG2 LYS 13 HG2 LYS 13 3.450 9.568 -4.076
105 HG3 LYS 13 HG3 LYS 13 4.359 11.038 -4.435
106 HD2 LYS 13 HD2 LYS 13 6.379 10.041 -3.536
107 HD3 LYS 13 HD3 LYS 13 5.484 8.595 -3.065
108 HE2 LYS 13 HE2 LYS 13 5.900 9.597 -5.880
109 HE3 LYS 13 HE3 LYS 13 6.721 8.226 -5.133
110 HZ1 LYS 13 HZ1 LYS 13 4.984 7.332 -6.410
111 HZ2 LYS 13 HZ2 LYS 13 3.858 8.463 -5.852
112 HZ3 LYS 13 HZ3 LYS 13 4.432 7.258 -4.812
113 HA PRO 14 HA PRO 14 4.053 15.179 0.124
114 HB2 PRO 14 HB2 PRO 14 2.218 16.429 -1.439
115 HB3 PRO 14 HB3 PRO 14 3.960 16.580 -1.693
116 HG2 PRO 14 HG2 PRO 14 1.985 14.833 -3.108
117 HG3 PRO 14 HG3 PRO 14 3.313 15.796 -3.783
118 HD2 PRO 14 HD2 PRO 14 3.507 13.125 -3.380
119 HD3 PRO 14 HD3 PRO 14 4.900 14.215 -3.241
120 H ASN 15 H ASN 15 1.605 13.237 -1.538
121 HA ASN 15 HA ASN 15 -0.386 13.852 0.489
122 HB2 ASN 15 HB2 ASN 15 -1.873 12.415 -0.891
123 HB3 ASN 15 HB3 ASN 15 -1.154 13.736 -1.808
124 HD21 ASN 15 HD21 ASN 15 -0.220 13.247 -3.659
125 HD22 ASN 15 HD22 ASN 15 0.274 11.669 -4.159
126 H CYS 16 H CYS 16 1.819 11.308 -0.381
127 HA CYS 16 HA CYS 16 0.707 9.613 1.755
128 HB2 CYS 16 HB2 CYS 16 0.897 8.759 -0.687
129 HB3 CYS 16 HB3 CYS 16 2.620 8.636 -0.348
130 H GLY 17 H GLY 17 1.988 11.324 3.051
131 HA2 GLY 17 HA2 GLY 17 4.448 10.049 3.877
132 HA3 GLY 17 HA3 GLY 17 4.663 11.652 3.187
133 HN1 NH2 18 H1 NH2 18 4.675 13.272 4.587
134 HN2 NH2 18 H2 NH2 18 3.956 13.323 6.135
Start of MODEL 13
1 H1 ARG 1 H ARG 1 0.117 -1.088 -2.771
2 HA ARG 1 HA ARG 1 1.248 0.160 -0.362
3 HB2 ARG 1 HB2 ARG 1 2.496 -1.747 -1.402
4 HB3 ARG 1 HB3 ARG 1 2.711 -0.758 -2.841
5 HG2 ARG 1 HG2 ARG 1 4.690 -0.363 -1.791
6 HG3 ARG 1 HG3 ARG 1 3.722 0.947 -1.109
7 HD2 ARG 1 HD2 ARG 1 3.746 -1.681 0.288
8 HD3 ARG 1 HD3 ARG 1 5.170 -0.649 0.420
9 HE ARG 1 HE ARG 1 2.800 0.812 0.965
10 HH11 ARG 1 HH11 ARG 1 4.987 -1.520 2.341
11 HH12 ARG 1 HH12 ARG 1 4.652 -1.064 3.979
12 HH21 ARG 1 HH21 ARG 1 2.350 1.422 3.116
13 HH22 ARG 1 HH22 ARG 1 3.151 0.610 4.419
14 H CYS 2 H CYS 2 1.859 2.258 -0.353
15 HA CYS 2 HA CYS 2 1.300 3.806 -2.792
16 HB2 CYS 2 HB2 CYS 2 0.050 4.210 -0.540
17 HB3 CYS 2 HB3 CYS 2 1.535 5.026 -0.060
18 H LYS 3 H LYS 3 3.711 2.580 -2.805
19 HA LYS 3 HA LYS 3 5.587 4.784 -2.245
20 HB2 LYS 3 HB2 LYS 3 5.891 1.825 -1.868
21 HB3 LYS 3 HB3 LYS 3 7.309 2.811 -2.205
22 HG2 LYS 3 HG2 LYS 3 6.688 4.228 -0.241
23 HG3 LYS 3 HG3 LYS 3 5.434 3.043 0.136
24 HD2 LYS 3 HD2 LYS 3 7.378 1.326 0.024
25 HD3 LYS 3 HD3 LYS 3 8.412 2.743 0.223
26 HE2 LYS 3 HE2 LYS 3 7.297 3.308 2.294
27 HE3 LYS 3 HE3 LYS 3 6.155 1.983 2.074
28 HZ1 LYS 3 HZ1 LYS 3 7.875 0.401 2.374
29 HZ2 LYS 3 HZ2 LYS 3 8.018 1.516 3.638
30 HZ3 LYS 3 HZ3 LYS 3 9.083 1.586 2.325
31 H THR 4 H THR 4 6.424 5.649 -4.015
32 HA THR 4 HA THR 4 6.822 3.941 -6.379
33 HB THR 4 HB THR 4 6.015 6.826 -6.646
34 HG1 THR 4 HG1 THR 4 3.917 6.258 -6.604
35 HG21 THR 4 HG21 THR 4 5.096 5.736 -8.837
36 HG22 THR 4 HG22 THR 4 6.234 4.446 -8.444
37 HG23 THR 4 HG23 THR 4 6.816 6.093 -8.687
38 H CYS 5 H CYS 5 8.885 3.900 -6.955
39 HA CYS 5 HA CYS 5 10.509 6.325 -6.591
40 HB2 CYS 5 HB2 CYS 5 11.385 3.492 -5.988
41 HB3 CYS 5 HB3 CYS 5 12.425 4.911 -5.937
42 H SER 6 H SER 6 11.388 6.978 -8.432
43 HA SER 6 HA SER 6 11.184 5.463 -10.826
44 HB2 SER 6 HB2 SER 6 11.177 7.997 -10.629
45 HB3 SER 6 HB3 SER 6 12.924 7.898 -10.410
46 HG SER 6 HG SER 6 12.775 8.090 -12.541
47 H LYS 7 H LYS 7 13.161 5.204 -12.290
48 HA LYS 7 HA LYS 7 14.930 3.361 -11.088
49 HB2 LYS 7 HB2 LYS 7 15.178 4.766 -13.754
50 HB3 LYS 7 HB3 LYS 7 16.065 3.331 -13.265
51 HG2 LYS 7 HG2 LYS 7 13.881 2.148 -13.034
52 HG3 LYS 7 HG3 LYS 7 13.104 3.572 -13.730
53 HD2 LYS 7 HD2 LYS 7 13.404 2.253 -15.598
54 HD3 LYS 7 HD3 LYS 7 14.864 3.245 -15.634
55 HE2 LYS 7 HE2 LYS 7 15.799 1.187 -15.927
56 HE3 LYS 7 HE3 LYS 7 15.812 1.262 -14.165
57 HZ1 LYS 7 HZ1 LYS 7 14.616 -0.583 -14.155
58 HZ2 LYS 7 HZ2 LYS 7 14.492 -0.581 -15.841
59 HZ3 LYS 7 HZ3 LYS 7 13.343 0.239 -14.908
60 H GLY 8 H GLY 8 16.247 4.110 -9.509
61 HA2 GLY 8 HA2 GLY 8 18.475 4.908 -9.087
62 HA3 GLY 8 HA3 GLY 8 18.225 6.135 -10.319
63 H ARG 9 H ARG 9 15.505 6.720 -9.238
64 HA ARG 9 HA ARG 9 16.372 8.279 -6.892
65 HB2 ARG 9 HB2 ARG 9 14.508 8.936 -9.154
66 HB3 ARG 9 HB3 ARG 9 14.364 9.763 -7.608
67 HG2 ARG 9 HG2 ARG 9 16.436 10.792 -7.822
68 HG3 ARG 9 HG3 ARG 9 16.985 9.644 -9.045
69 HD2 ARG 9 HD2 ARG 9 15.235 10.567 -10.575
70 HD3 ARG 9 HD3 ARG 9 14.914 11.809 -9.365
71 HE ARG 9 HE ARG 9 16.843 12.881 -9.993
72 HH11 ARG 9 HH11 ARG 9 16.819 9.663 -11.324
73 HH12 ARG 9 HH12 ARG 9 18.208 9.928 -12.327
74 HH21 ARG 9 HH21 ARG 9 18.670 13.240 -11.309
75 HH22 ARG 9 HH22 ARG 9 19.260 11.962 -12.317
76 H CYS 10 H CYS 10 15.192 8.194 -5.052
77 HA CYS 10 HA CYS 10 12.557 6.954 -5.065
78 HB2 CYS 10 HB2 CYS 10 14.199 5.097 -4.772
79 HB3 CYS 10 HB3 CYS 10 14.778 5.891 -3.310
80 H ARG 11 H ARG 11 11.290 8.246 -3.924
81 HA ARG 11 HA ARG 11 12.137 9.224 -1.333
82 HB2 ARG 11 HB2 ARG 11 11.790 10.983 -3.711
83 HB3 ARG 11 HB3 ARG 11 11.190 11.570 -2.165
84 HG2 ARG 11 HG2 ARG 11 13.508 11.025 -1.253
85 HG3 ARG 11 HG3 ARG 11 14.003 10.890 -2.942
86 HD2 ARG 11 HD2 ARG 11 12.961 13.207 -3.239
87 HD3 ARG 11 HD3 ARG 11 12.962 13.294 -1.477
88 HE ARG 11 HE ARG 11 15.214 13.576 -3.216
89 HH11 ARG 11 HH11 ARG 11 14.209 12.552 -0.044
90 HH12 ARG 11 HH12 ARG 11 15.756 12.838 0.682
91 HH21 ARG 11 HH21 ARG 11 17.255 13.955 -2.274
92 HH22 ARG 11 HH22 ARG 11 17.488 13.636 -0.588
93 HA PRO 12 HA PRO 12 7.894 8.780 -0.315
94 HB2 PRO 12 HB2 PRO 12 7.496 10.809 1.444
95 HB3 PRO 12 HB3 PRO 12 8.445 9.371 1.836
96 HG2 PRO 12 HG2 PRO 12 9.381 12.085 0.992
97 HG3 PRO 12 HG3 PRO 12 10.022 11.025 2.260
98 HD2 PRO 12 HD2 PRO 12 11.174 11.235 -0.183
99 HD3 PRO 12 HD3 PRO 12 11.198 9.730 0.758
100 H LYS 13 H LYS 13 5.901 9.396 -1.002
101 HA LYS 13 HA LYS 13 5.754 11.617 -2.844
102 HB2 LYS 13 HB2 LYS 13 3.903 9.393 -2.054
103 HB3 LYS 13 HB3 LYS 13 3.289 10.769 -2.962
104 HG2 LYS 13 HG2 LYS 13 5.343 10.217 -4.521
105 HG3 LYS 13 HG3 LYS 13 5.154 8.616 -3.803
106 HD2 LYS 13 HD2 LYS 13 2.734 10.010 -4.841
107 HD3 LYS 13 HD3 LYS 13 3.859 9.296 -5.998
108 HE2 LYS 13 HE2 LYS 13 3.690 7.175 -4.585
109 HE3 LYS 13 HE3 LYS 13 2.296 7.937 -3.821
110 HZ1 LYS 13 HZ1 LYS 13 2.035 6.402 -5.912
111 HZ2 LYS 13 HZ2 LYS 13 2.382 7.831 -6.746
112 HZ3 LYS 13 HZ3 LYS 13 1.052 7.763 -5.703
113 HA PRO 14 HA PRO 14 3.892 14.621 -0.242
114 HB2 PRO 14 HB2 PRO 14 2.126 15.805 -1.929
115 HB3 PRO 14 HB3 PRO 14 3.874 16.028 -2.058
116 HG2 PRO 14 HG2 PRO 14 2.078 14.210 -3.616
117 HG3 PRO 14 HG3 PRO 14 3.410 15.229 -4.191
118 HD2 PRO 14 HD2 PRO 14 3.685 12.566 -3.783
119 HD3 PRO 14 HD3 PRO 14 5.019 13.713 -3.540
120 H ASN 15 H ASN 15 1.575 12.723 -2.154
121 HA ASN 15 HA ASN 15 -0.628 13.261 -0.417
122 HB2 ASN 15 HB2 ASN 15 -0.158 11.374 -2.705
123 HB3 ASN 15 HB3 ASN 15 -1.609 11.229 -1.716
124 HD21 ASN 15 HD21 ASN 15 0.133 13.195 -3.987
125 HD22 ASN 15 HD22 ASN 15 -1.173 14.256 -4.380
126 H CYS 16 H CYS 16 1.881 10.857 -0.560
127 HA CYS 16 HA CYS 16 1.037 9.818 2.015
128 HB2 CYS 16 HB2 CYS 16 1.162 7.462 1.258
129 HB3 CYS 16 HB3 CYS 16 -0.161 8.345 0.502
130 H GLY 17 H GLY 17 2.748 9.431 3.280
131 HA2 GLY 17 HA2 GLY 17 4.923 8.482 3.661
132 HA3 GLY 17 HA3 GLY 17 5.344 8.886 2.002
133 HN1 NH2 18 H1 NH2 18 6.622 9.536 4.630
134 HN2 NH2 18 H2 NH2 18 6.838 11.229 4.660
Start of MODEL 14
1 H1 ARG 1 H ARG 1 -2.308 6.735 -6.121
2 HA ARG 1 HA ARG 1 -2.054 4.799 -3.959
3 HB2 ARG 1 HB2 ARG 1 -1.082 3.327 -5.636
4 HB3 ARG 1 HB3 ARG 1 -2.595 4.004 -6.225
5 HG2 ARG 1 HG2 ARG 1 -1.006 5.796 -7.298
6 HG3 ARG 1 HG3 ARG 1 0.193 4.511 -7.128
7 HD2 ARG 1 HD2 ARG 1 -1.549 3.009 -8.264
8 HD3 ARG 1 HD3 ARG 1 -2.352 4.511 -8.717
9 HE ARG 1 HE ARG 1 0.090 3.447 -9.812
10 HH11 ARG 1 HH11 ARG 1 -1.850 6.296 -9.328
11 HH12 ARG 1 HH12 ARG 1 -1.151 7.156 -10.660
12 HH21 ARG 1 HH21 ARG 1 1.017 4.569 -11.568
13 HH22 ARG 1 HH22 ARG 1 0.478 6.173 -11.934
14 H CYS 2 H CYS 2 -0.069 4.083 -3.135
15 HA CYS 2 HA CYS 2 2.055 6.091 -3.284
16 HB2 CYS 2 HB2 CYS 2 0.992 5.108 -1.093
17 HB3 CYS 2 HB3 CYS 2 2.099 3.771 -1.391
18 H LYS 3 H LYS 3 2.419 5.125 -5.529
19 HA LYS 3 HA LYS 3 3.450 2.603 -5.991
20 HB2 LYS 3 HB2 LYS 3 2.941 4.622 -7.602
21 HB3 LYS 3 HB3 LYS 3 4.655 4.958 -7.390
22 HG2 LYS 3 HG2 LYS 3 5.306 3.061 -8.499
23 HG3 LYS 3 HG3 LYS 3 3.809 2.202 -8.135
24 HD2 LYS 3 HD2 LYS 3 2.752 4.086 -9.639
25 HD3 LYS 3 HD3 LYS 3 4.393 4.188 -10.279
26 HE2 LYS 3 HE2 LYS 3 3.089 1.518 -10.021
27 HE3 LYS 3 HE3 LYS 3 2.630 2.574 -11.357
28 HZ1 LYS 3 HZ1 LYS 3 5.089 2.738 -11.829
29 HZ2 LYS 3 HZ2 LYS 3 4.369 1.244 -12.158
30 HZ3 LYS 3 HZ3 LYS 3 5.299 1.443 -10.761
31 H THR 4 H THR 4 5.744 2.046 -6.525
32 HA THR 4 HA THR 4 7.418 2.711 -4.265
33 HB THR 4 HB THR 4 7.247 0.380 -5.122
34 HG1 THR 4 HG1 THR 4 9.915 1.286 -5.426
35 HG21 THR 4 HG21 THR 4 7.304 1.231 -7.572
36 HG22 THR 4 HG22 THR 4 8.104 -0.290 -7.177
37 HG23 THR 4 HG23 THR 4 9.054 1.182 -7.373
38 H CYS 5 H CYS 5 9.637 3.401 -4.472
39 HA CYS 5 HA CYS 5 9.997 5.717 -5.930
40 HB2 CYS 5 HB2 CYS 5 12.022 3.789 -4.793
41 HB3 CYS 5 HB3 CYS 5 12.473 5.331 -5.511
42 H SER 6 H SER 6 11.620 6.155 -7.642
43 HA SER 6 HA SER 6 11.282 4.222 -9.805
44 HB2 SER 6 HB2 SER 6 10.740 6.696 -10.067
45 HB3 SER 6 HB3 SER 6 12.479 6.986 -10.016
46 HG SER 6 HG SER 6 11.397 5.105 -11.807
47 H LYS 7 H LYS 7 13.190 4.082 -11.370
48 HA LYS 7 HA LYS 7 15.396 2.964 -9.977
49 HB2 LYS 7 HB2 LYS 7 14.646 3.380 -12.824
50 HB3 LYS 7 HB3 LYS 7 16.347 3.107 -12.474
51 HG2 LYS 7 HG2 LYS 7 15.553 0.979 -12.900
52 HG3 LYS 7 HG3 LYS 7 15.519 1.067 -11.137
53 HD2 LYS 7 HD2 LYS 7 13.082 1.913 -12.608
54 HD3 LYS 7 HD3 LYS 7 13.449 0.188 -12.555
55 HE2 LYS 7 HE2 LYS 7 13.597 1.726 -10.017
56 HE3 LYS 7 HE3 LYS 7 12.000 1.377 -10.680
57 HZ1 LYS 7 HZ1 LYS 7 12.257 -0.857 -10.372
58 HZ2 LYS 7 HZ2 LYS 7 13.164 -0.285 -9.064
59 HZ3 LYS 7 HZ3 LYS 7 13.945 -0.808 -10.470
60 H GLY 8 H GLY 8 16.730 4.253 -8.855
61 HA2 GLY 8 HA2 GLY 8 18.653 5.623 -8.800
62 HA3 GLY 8 HA3 GLY 8 18.170 6.322 -10.339
63 H ARG 9 H ARG 9 15.393 6.726 -9.324
64 HA ARG 9 HA ARG 9 15.953 9.078 -7.638
65 HB2 ARG 9 HB2 ARG 9 14.003 8.654 -9.885
66 HB3 ARG 9 HB3 ARG 9 13.722 9.897 -8.673
67 HG2 ARG 9 HG2 ARG 9 15.648 11.091 -9.295
68 HG3 ARG 9 HG3 ARG 9 16.285 9.733 -10.224
69 HD2 ARG 9 HD2 ARG 9 13.768 11.251 -10.900
70 HD3 ARG 9 HD3 ARG 9 15.344 11.551 -11.630
71 HE ARG 9 HE ARG 9 14.916 8.897 -12.046
72 HH11 ARG 9 HH11 ARG 9 13.128 11.799 -12.751
73 HH12 ARG 9 HH12 ARG 9 12.377 11.148 -14.171
74 HH21 ARG 9 HH21 ARG 9 13.935 8.028 -13.913
75 HH22 ARG 9 HH22 ARG 9 12.837 9.004 -14.830
76 H CYS 10 H CYS 10 15.305 8.774 -5.619
77 HA CYS 10 HA CYS 10 12.698 7.501 -5.155
78 HB2 CYS 10 HB2 CYS 10 14.466 5.847 -4.683
79 HB3 CYS 10 HB3 CYS 10 15.205 6.969 -3.546
80 H ARG 11 H ARG 11 11.405 8.833 -4.093
81 HA ARG 11 HA ARG 11 12.431 10.441 -1.900
82 HB2 ARG 11 HB2 ARG 11 11.460 11.559 -4.482
83 HB3 ARG 11 HB3 ARG 11 10.980 12.385 -3.005
84 HG2 ARG 11 HG2 ARG 11 13.543 12.239 -2.464
85 HG3 ARG 11 HG3 ARG 11 13.678 12.075 -4.216
86 HD2 ARG 11 HD2 ARG 11 13.843 14.368 -3.890
87 HD3 ARG 11 HD3 ARG 11 12.143 14.144 -4.302
88 HE ARG 11 HE ARG 11 12.577 14.053 -1.486
89 HH11 ARG 11 HH11 ARG 11 12.243 16.209 -4.199
90 HH12 ARG 11 HH12 ARG 11 11.670 17.535 -3.243
91 HH21 ARG 11 HH21 ARG 11 11.822 15.791 -0.217
92 HH22 ARG 11 HH22 ARG 11 11.432 17.297 -0.977
93 HA PRO 12 HA PRO 12 8.517 9.659 -0.082
94 HB2 PRO 12 HB2 PRO 12 8.033 11.954 1.283
95 HB3 PRO 12 HB3 PRO 12 9.260 10.783 1.779
96 HG2 PRO 12 HG2 PRO 12 9.587 13.343 0.262
97 HG3 PRO 12 HG3 PRO 12 10.576 12.690 1.582
98 HD2 PRO 12 HD2 PRO 12 11.312 12.507 -1.019
99 HD3 PRO 12 HD3 PRO 12 11.728 11.266 0.182
100 H LYS 13 H LYS 13 6.370 9.827 -0.515
101 HA LYS 13 HA LYS 13 5.583 11.544 -2.703
102 HB2 LYS 13 HB2 LYS 13 4.403 9.226 -1.262
103 HB3 LYS 13 HB3 LYS 13 3.287 10.334 -2.051
104 HG2 LYS 13 HG2 LYS 13 4.942 9.998 -4.080
105 HG3 LYS 13 HG3 LYS 13 5.288 8.488 -3.232
106 HD2 LYS 13 HD2 LYS 13 2.873 7.976 -3.226
107 HD3 LYS 13 HD3 LYS 13 2.577 9.455 -4.142
108 HE2 LYS 13 HE2 LYS 13 4.429 7.288 -5.105
109 HE3 LYS 13 HE3 LYS 13 2.704 7.295 -5.471
110 HZ1 LYS 13 HZ1 LYS 13 4.174 8.315 -7.198
111 HZ2 LYS 13 HZ2 LYS 13 4.500 9.565 -6.107
112 HZ3 LYS 13 HZ3 LYS 13 2.921 9.313 -6.654
113 HA PRO 14 HA PRO 14 3.617 14.757 -0.452
114 HB2 PRO 14 HB2 PRO 14 1.452 15.284 -2.002
115 HB3 PRO 14 HB3 PRO 14 3.099 15.715 -2.474
116 HG2 PRO 14 HG2 PRO 14 1.442 13.366 -3.311
117 HG3 PRO 14 HG3 PRO 14 2.483 14.409 -4.298
118 HD2 PRO 14 HD2 PRO 14 3.268 11.966 -3.433
119 HD3 PRO 14 HD3 PRO 14 4.405 13.311 -3.654
120 H ASN 15 H ASN 15 1.569 12.044 -1.405
121 HA ASN 15 HA ASN 15 -0.383 12.675 0.660
122 HB2 ASN 15 HB2 ASN 15 -0.922 11.772 -1.701
123 HB3 ASN 15 HB3 ASN 15 -0.410 10.210 -1.068
124 HD21 ASN 15 HD21 ASN 15 -1.704 9.122 0.344
125 HD22 ASN 15 HD22 ASN 15 -3.304 9.629 0.753
126 H CYS 16 H CYS 16 2.271 10.506 0.075
127 HA CYS 16 HA CYS 16 1.617 8.840 2.368
128 HB2 CYS 16 HB2 CYS 16 4.096 8.715 0.649
129 HB3 CYS 16 HB3 CYS 16 3.455 7.458 1.702
130 H GLY 17 H GLY 17 2.448 9.077 4.349
131 HA2 GLY 17 HA2 GLY 17 4.320 9.541 5.803
132 HA3 GLY 17 HA3 GLY 17 4.831 10.782 4.669
133 HN1 NH2 18 H1 NH2 18 4.374 11.002 7.539
134 HN2 NH2 18 H2 NH2 18 3.190 12.206 7.795
Start of MODEL 15
1 H1 ARG 1 H ARG 1 1.070 -0.889 -2.556
2 HA ARG 1 HA ARG 1 1.582 0.285 0.033
3 HB2 ARG 1 HB2 ARG 1 3.952 0.834 -0.511
4 HB3 ARG 1 HB3 ARG 1 3.667 -0.880 -0.248
5 HG2 ARG 1 HG2 ARG 1 3.441 -1.015 -2.808
6 HG3 ARG 1 HG3 ARG 1 4.229 0.563 -2.806
7 HD2 ARG 1 HD2 ARG 1 6.079 -0.421 -1.476
8 HD3 ARG 1 HD3 ARG 1 5.305 -1.999 -1.637
9 HE ARG 1 HE ARG 1 5.816 -0.682 -4.145
10 HH11 ARG 1 HH11 ARG 1 7.109 -2.773 -1.681
11 HH12 ARG 1 HH12 ARG 1 8.266 -3.517 -2.736
12 HH21 ARG 1 HH21 ARG 1 7.333 -1.653 -5.543
13 HH22 ARG 1 HH22 ARG 1 8.392 -2.879 -4.932
14 H CYS 2 H CYS 2 2.644 2.550 -0.340
15 HA CYS 2 HA CYS 2 1.493 3.742 -2.775
16 HB2 CYS 2 HB2 CYS 2 0.815 5.695 -1.458
17 HB3 CYS 2 HB3 CYS 2 0.051 4.230 -0.848
18 H LYS 3 H LYS 3 4.186 2.916 -2.423
19 HA LYS 3 HA LYS 3 5.550 5.528 -2.417
20 HB2 LYS 3 HB2 LYS 3 6.078 3.751 -0.557
21 HB3 LYS 3 HB3 LYS 3 7.021 2.986 -1.831
22 HG2 LYS 3 HG2 LYS 3 8.272 5.099 -2.119
23 HG3 LYS 3 HG3 LYS 3 7.380 5.774 -0.753
24 HD2 LYS 3 HD2 LYS 3 9.010 3.249 -0.573
25 HD3 LYS 3 HD3 LYS 3 9.667 4.849 -0.220
26 HE2 LYS 3 HE2 LYS 3 7.846 5.135 1.467
27 HE3 LYS 3 HE3 LYS 3 7.395 3.454 1.188
28 HZ1 LYS 3 HZ1 LYS 3 10.193 3.834 1.751
29 HZ2 LYS 3 HZ2 LYS 3 9.101 2.720 2.403
30 HZ3 LYS 3 HZ3 LYS 3 9.179 4.291 3.026
31 H THR 4 H THR 4 6.122 6.085 -4.404
32 HA THR 4 HA THR 4 6.842 3.965 -6.317
33 HB THR 4 HB THR 4 6.097 6.759 -7.133
34 HG1 THR 4 HG1 THR 4 4.037 6.345 -6.812
35 HG21 THR 4 HG21 THR 4 5.143 4.840 -8.930
36 HG22 THR 4 HG22 THR 4 6.745 4.277 -8.454
37 HG23 THR 4 HG23 THR 4 6.545 5.891 -9.138
38 H CYS 5 H CYS 5 8.941 3.786 -6.695
39 HA CYS 5 HA CYS 5 10.618 6.203 -6.509
40 HB2 CYS 5 HB2 CYS 5 11.436 3.321 -6.076
41 HB3 CYS 5 HB3 CYS 5 12.488 4.726 -5.932
42 H SER 6 H SER 6 11.448 6.900 -8.354
43 HA SER 6 HA SER 6 11.165 5.423 -10.780
44 HB2 SER 6 HB2 SER 6 11.220 8.029 -10.339
45 HB3 SER 6 HB3 SER 6 12.951 7.816 -10.601
46 HG SER 6 HG SER 6 10.992 7.933 -12.413
47 H LYS 7 H LYS 7 13.099 5.260 -12.313
48 HA LYS 7 HA LYS 7 14.961 3.449 -11.222
49 HB2 LYS 7 HB2 LYS 7 14.125 3.861 -13.696
50 HB3 LYS 7 HB3 LYS 7 15.554 4.885 -13.773
51 HG2 LYS 7 HG2 LYS 7 16.231 2.793 -14.584
52 HG3 LYS 7 HG3 LYS 7 16.864 2.884 -12.939
53 HD2 LYS 7 HD2 LYS 7 15.236 1.407 -12.113
54 HD3 LYS 7 HD3 LYS 7 14.217 1.598 -13.541
55 HE2 LYS 7 HE2 LYS 7 15.735 0.351 -14.886
56 HE3 LYS 7 HE3 LYS 7 16.961 0.362 -13.620
57 HZ1 LYS 7 HZ1 LYS 7 14.673 -0.762 -12.523
58 HZ2 LYS 7 HZ2 LYS 7 16.126 -1.540 -12.899
59 HZ3 LYS 7 HZ3 LYS 7 14.877 -1.488 -14.038
60 H GLY 8 H GLY 8 16.247 4.222 -9.614
61 HA2 GLY 8 HA2 GLY 8 18.480 5.064 -9.232
62 HA3 GLY 8 HA3 GLY 8 18.147 6.338 -10.395
63 H ARG 9 H ARG 9 15.440 6.759 -9.212
64 HA ARG 9 HA ARG 9 16.309 8.226 -6.809
65 HB2 ARG 9 HB2 ARG 9 14.345 8.942 -8.970
66 HB3 ARG 9 HB3 ARG 9 14.278 9.708 -7.389
67 HG2 ARG 9 HG2 ARG 9 16.318 10.777 -7.679
68 HG3 ARG 9 HG3 ARG 9 16.822 9.673 -8.959
69 HD2 ARG 9 HD2 ARG 9 14.435 11.441 -9.323
70 HD3 ARG 9 HD3 ARG 9 16.062 12.071 -9.577
71 HE ARG 9 HE ARG 9 14.601 10.384 -11.331
72 HH11 ARG 9 HH11 ARG 9 17.813 11.048 -10.167
73 HH12 ARG 9 HH12 ARG 9 18.595 10.469 -11.602
74 HH21 ARG 9 HH21 ARG 9 15.616 9.619 -13.225
75 HH22 ARG 9 HH22 ARG 9 17.343 9.656 -13.340
76 H CYS 10 H CYS 10 15.102 8.094 -4.967
77 HA CYS 10 HA CYS 10 12.537 6.723 -5.004
78 HB2 CYS 10 HB2 CYS 10 14.268 4.934 -4.777
79 HB3 CYS 10 HB3 CYS 10 14.811 5.704 -3.290
80 H ARG 11 H ARG 11 11.302 8.146 -3.972
81 HA ARG 11 HA ARG 11 12.041 8.962 -1.280
82 HB2 ARG 11 HB2 ARG 11 11.842 10.812 -3.599
83 HB3 ARG 11 HB3 ARG 11 11.145 11.351 -2.078
84 HG2 ARG 11 HG2 ARG 11 13.215 11.280 -0.978
85 HG3 ARG 11 HG3 ARG 11 13.955 10.319 -2.259
86 HD2 ARG 11 HD2 ARG 11 14.010 12.153 -3.739
87 HD3 ARG 11 HD3 ARG 11 12.902 13.092 -2.740
88 HE ARG 11 HE ARG 11 15.343 12.439 -1.389
89 HH11 ARG 11 HH11 ARG 11 13.835 14.657 -3.610
90 HH12 ARG 11 HH12 ARG 11 14.925 15.956 -3.258
91 HH21 ARG 11 HH21 ARG 11 16.785 14.143 -0.917
92 HH22 ARG 11 HH22 ARG 11 16.604 15.662 -1.727
93 HA PRO 12 HA PRO 12 7.753 8.547 -0.451
94 HB2 PRO 12 HB2 PRO 12 7.314 10.511 1.371
95 HB3 PRO 12 HB3 PRO 12 8.225 9.043 1.743
96 HG2 PRO 12 HG2 PRO 12 9.233 11.773 1.046
97 HG3 PRO 12 HG3 PRO 12 9.809 10.654 2.294
98 HD2 PRO 12 HD2 PRO 12 11.060 10.943 -0.089
99 HD3 PRO 12 HD3 PRO 12 11.024 9.401 0.790
100 H LYS 13 H LYS 13 5.798 9.224 -1.191
101 HA LYS 13 HA LYS 13 5.755 11.498 -2.963
102 HB2 LYS 13 HB2 LYS 13 4.082 9.141 -2.456
103 HB3 LYS 13 HB3 LYS 13 3.166 10.590 -2.850
104 HG2 LYS 13 HG2 LYS 13 4.109 10.765 -4.963
105 HG3 LYS 13 HG3 LYS 13 5.483 9.739 -4.541
106 HD2 LYS 13 HD2 LYS 13 4.014 8.485 -5.963
107 HD3 LYS 13 HD3 LYS 13 3.901 7.824 -4.331
108 HE2 LYS 13 HE2 LYS 13 1.818 8.923 -3.952
109 HE3 LYS 13 HE3 LYS 13 1.973 9.854 -5.441
110 HZ1 LYS 13 HZ1 LYS 13 0.531 7.656 -5.284
111 HZ2 LYS 13 HZ2 LYS 13 2.014 6.950 -5.691
112 HZ3 LYS 13 HZ3 LYS 13 1.325 8.115 -6.707
113 HA PRO 14 HA PRO 14 3.910 14.492 -0.339
114 HB2 PRO 14 HB2 PRO 14 2.223 15.766 -2.042
115 HB3 PRO 14 HB3 PRO 14 3.980 15.943 -2.120
116 HG2 PRO 14 HG2 PRO 14 2.175 14.214 -3.767
117 HG3 PRO 14 HG3 PRO 14 3.550 15.206 -4.284
118 HD2 PRO 14 HD2 PRO 14 3.739 12.528 -3.932
119 HD3 PRO 14 HD3 PRO 14 5.097 13.629 -3.628
120 H ASN 15 H ASN 15 1.667 12.565 -2.279
121 HA ASN 15 HA ASN 15 -0.621 13.187 -0.679
122 HB2 ASN 15 HB2 ASN 15 -0.580 12.396 -3.127
123 HB3 ASN 15 HB3 ASN 15 -0.362 10.777 -2.468
124 HD21 ASN 15 HD21 ASN 15 -2.406 13.621 -1.873
125 HD22 ASN 15 HD22 ASN 15 -3.885 12.737 -1.735
126 H CYS 16 H CYS 16 1.887 10.779 -0.599
127 HA CYS 16 HA CYS 16 0.589 9.559 1.748
128 HB2 CYS 16 HB2 CYS 16 1.095 8.248 -0.590
129 HB3 CYS 16 HB3 CYS 16 2.570 7.916 0.313
130 H GLY 17 H GLY 17 2.294 11.807 1.870
131 HA2 GLY 17 HA2 GLY 17 4.600 10.612 3.275
132 HA3 GLY 17 HA3 GLY 17 4.787 12.031 2.255
133 HN1 NH2 18 H1 NH2 18 2.669 13.585 2.933
134 HN2 NH2 18 H2 NH2 18 2.732 14.079 4.566
Start of MODEL 16
1 H1 ARG 1 H ARG 1 1.634 -1.118 -2.001
2 HA ARG 1 HA ARG 1 1.929 -0.207 -4.167
3 HB2 ARG 1 HB2 ARG 1 -0.163 -1.702 -3.809
4 HB3 ARG 1 HB3 ARG 1 -1.067 -0.204 -3.982
5 HG2 ARG 1 HG2 ARG 1 0.282 0.074 -6.172
6 HG3 ARG 1 HG3 ARG 1 0.586 -1.656 -6.002
7 HD2 ARG 1 HD2 ARG 1 -2.110 -0.308 -6.140
8 HD3 ARG 1 HD3 ARG 1 -1.356 -1.274 -7.406
9 HE ARG 1 HE ARG 1 -1.471 -2.929 -5.227
10 HH11 ARG 1 HH11 ARG 1 -3.775 -1.107 -7.098
11 HH12 ARG 1 HH12 ARG 1 -5.076 -2.215 -6.815
12 HH21 ARG 1 HH21 ARG 1 -3.177 -4.395 -4.849
13 HH22 ARG 1 HH22 ARG 1 -4.736 -4.084 -5.536
14 H CYS 2 H CYS 2 2.091 1.965 -2.347
15 HA CYS 2 HA CYS 2 0.659 4.052 -3.859
16 HB2 CYS 2 HB2 CYS 2 -0.181 3.929 -1.573
17 HB3 CYS 2 HB3 CYS 2 1.456 4.060 -0.940
18 H LYS 3 H LYS 3 3.645 3.096 -2.271
19 HA LYS 3 HA LYS 3 5.038 5.493 -3.103
20 HB2 LYS 3 HB2 LYS 3 5.423 3.985 -0.974
21 HB3 LYS 3 HB3 LYS 3 6.451 3.070 -2.069
22 HG2 LYS 3 HG2 LYS 3 6.796 6.024 -1.865
23 HG3 LYS 3 HG3 LYS 3 7.449 4.976 -0.602
24 HD2 LYS 3 HD2 LYS 3 8.002 4.346 -3.469
25 HD3 LYS 3 HD3 LYS 3 8.914 5.629 -2.670
26 HE2 LYS 3 HE2 LYS 3 10.267 3.852 -2.205
27 HE3 LYS 3 HE3 LYS 3 9.198 3.780 -0.805
28 HZ1 LYS 3 HZ1 LYS 3 8.304 1.858 -1.486
29 HZ2 LYS 3 HZ2 LYS 3 9.699 1.713 -2.430
30 HZ3 LYS 3 HZ3 LYS 3 8.272 2.310 -3.116
31 H THR 4 H THR 4 5.703 5.733 -5.125
32 HA THR 4 HA THR 4 6.872 3.417 -6.509
33 HB THR 4 HB THR 4 4.722 3.602 -7.516
34 HG1 THR 4 HG1 THR 4 5.531 3.594 -9.477
35 HG21 THR 4 HG21 THR 4 4.547 6.129 -8.666
36 HG22 THR 4 HG22 THR 4 5.099 6.433 -7.018
37 HG23 THR 4 HG23 THR 4 3.611 5.527 -7.297
38 H CYS 5 H CYS 5 8.587 3.858 -7.879
39 HA CYS 5 HA CYS 5 9.371 6.469 -8.651
40 HB2 CYS 5 HB2 CYS 5 11.348 6.751 -7.264
41 HB3 CYS 5 HB3 CYS 5 9.920 6.623 -6.241
42 H SER 6 H SER 6 11.785 6.405 -9.402
43 HA SER 6 HA SER 6 12.042 3.997 -11.023
44 HB2 SER 6 HB2 SER 6 13.907 6.335 -11.228
45 HB3 SER 6 HB3 SER 6 13.334 5.249 -12.496
46 HG SER 6 HG SER 6 12.302 7.229 -12.702
47 H LYS 7 H LYS 7 14.365 3.257 -11.441
48 HA LYS 7 HA LYS 7 15.456 2.363 -8.968
49 HB2 LYS 7 HB2 LYS 7 16.255 2.073 -11.848
50 HB3 LYS 7 HB3 LYS 7 17.332 1.532 -10.568
51 HG2 LYS 7 HG2 LYS 7 14.480 0.621 -10.709
52 HG3 LYS 7 HG3 LYS 7 15.762 -0.184 -11.615
53 HD2 LYS 7 HD2 LYS 7 16.163 0.314 -8.706
54 HD3 LYS 7 HD3 LYS 7 15.083 -0.991 -9.200
55 HE2 LYS 7 HE2 LYS 7 16.925 -1.881 -10.623
56 HE3 LYS 7 HE3 LYS 7 17.986 -0.650 -9.942
57 HZ1 LYS 7 HZ1 LYS 7 17.867 -1.618 -7.834
58 HZ2 LYS 7 HZ2 LYS 7 18.046 -2.932 -8.884
59 HZ3 LYS 7 HZ3 LYS 7 16.526 -2.570 -8.232
60 H GLY 8 H GLY 8 16.671 3.552 -7.658
61 HA2 GLY 8 HA2 GLY 8 18.678 4.667 -7.110
62 HA3 GLY 8 HA3 GLY 8 18.856 5.126 -8.797
63 H ARG 9 H ARG 9 16.018 6.041 -8.885
64 HA ARG 9 HA ARG 9 16.398 8.575 -7.432
65 HB2 ARG 9 HB2 ARG 9 15.228 7.994 -10.139
66 HB3 ARG 9 HB3 ARG 9 14.829 9.473 -9.276
67 HG2 ARG 9 HG2 ARG 9 17.018 10.271 -9.393
68 HG3 ARG 9 HG3 ARG 9 17.673 8.677 -9.771
69 HD2 ARG 9 HD2 ARG 9 16.865 8.743 -11.971
70 HD3 ARG 9 HD3 ARG 9 15.756 10.067 -11.613
71 HE ARG 9 HE ARG 9 17.452 11.539 -12.028
72 HH11 ARG 9 HH11 ARG 9 18.814 8.384 -11.473
73 HH12 ARG 9 HH12 ARG 9 20.425 8.861 -11.894
74 HH21 ARG 9 HH21 ARG 9 19.569 12.181 -12.585
75 HH22 ARG 9 HH22 ARG 9 20.854 11.022 -12.525
76 H CYS 10 H CYS 10 15.090 8.698 -5.737
77 HA CYS 10 HA CYS 10 12.260 8.083 -6.080
78 HB2 CYS 10 HB2 CYS 10 13.951 6.900 -3.869
79 HB3 CYS 10 HB3 CYS 10 12.194 6.817 -3.947
80 H ARG 11 H ARG 11 10.900 9.050 -4.466
81 HA ARG 11 HA ARG 11 12.115 10.918 -2.605
82 HB2 ARG 11 HB2 ARG 11 10.722 11.740 -5.103
83 HB3 ARG 11 HB3 ARG 11 10.381 12.665 -3.646
84 HG2 ARG 11 HG2 ARG 11 12.900 12.900 -3.392
85 HG3 ARG 11 HG3 ARG 11 13.006 12.300 -5.048
86 HD2 ARG 11 HD2 ARG 11 11.636 14.134 -5.836
87 HD3 ARG 11 HD3 ARG 11 11.410 14.707 -4.183
88 HE ARG 11 HE ARG 11 13.687 15.145 -5.869
89 HH11 ARG 11 HH11 ARG 11 12.592 14.896 -2.573
90 HH12 ARG 11 HH12 ARG 11 13.881 15.863 -1.934
91 HH21 ARG 11 HH21 ARG 11 15.388 16.419 -5.039
92 HH22 ARG 11 HH22 ARG 11 15.470 16.729 -3.338
93 HA PRO 12 HA PRO 12 8.562 10.087 -0.171
94 HB2 PRO 12 HB2 PRO 12 8.121 12.467 1.058
95 HB3 PRO 12 HB3 PRO 12 9.483 11.417 1.460
96 HG2 PRO 12 HG2 PRO 12 9.414 13.843 -0.293
97 HG3 PRO 12 HG3 PRO 12 10.623 13.369 0.916
98 HD2 PRO 12 HD2 PRO 12 10.992 12.990 -1.740
99 HD3 PRO 12 HD3 PRO 12 11.661 11.891 -0.518
100 H LYS 13 H LYS 13 6.369 10.093 -0.298
101 HA LYS 13 HA LYS 13 5.163 11.558 -2.477
102 HB2 LYS 13 HB2 LYS 13 4.258 9.391 -0.615
103 HB3 LYS 13 HB3 LYS 13 3.068 10.292 -1.544
104 HG2 LYS 13 HG2 LYS 13 5.355 9.249 -3.075
105 HG3 LYS 13 HG3 LYS 13 4.260 8.040 -2.403
106 HD2 LYS 13 HD2 LYS 13 3.053 8.406 -4.263
107 HD3 LYS 13 HD3 LYS 13 2.510 9.864 -3.428
108 HE2 LYS 13 HE2 LYS 13 4.879 10.669 -4.537
109 HE3 LYS 13 HE3 LYS 13 4.254 9.561 -5.757
110 HZ1 LYS 13 HZ1 LYS 13 3.424 12.196 -5.157
111 HZ2 LYS 13 HZ2 LYS 13 2.123 11.134 -4.963
112 HZ3 LYS 13 HZ3 LYS 13 2.949 11.198 -6.438
113 HA PRO 14 HA PRO 14 3.320 14.846 -0.232
114 HB2 PRO 14 HB2 PRO 14 0.925 15.107 -1.482
115 HB3 PRO 14 HB3 PRO 14 2.456 15.586 -2.226
116 HG2 PRO 14 HG2 PRO 14 0.863 13.081 -2.614
117 HG3 PRO 14 HG3 PRO 14 1.678 14.086 -3.826
118 HD2 PRO 14 HD2 PRO 14 2.744 11.780 -2.888
119 HD3 PRO 14 HD3 PRO 14 3.743 13.162 -3.385
120 H ASN 15 H ASN 15 1.177 12.062 -0.748
121 HA ASN 15 HA ASN 15 -0.147 12.658 1.807
122 HB2 ASN 15 HB2 ASN 15 -1.551 12.415 -0.276
123 HB3 ASN 15 HB3 ASN 15 -1.068 10.722 -0.322
124 HD21 ASN 15 HD21 ASN 15 -2.771 9.576 0.250
125 HD22 ASN 15 HD22 ASN 15 -3.761 9.860 1.636
126 H CYS 16 H CYS 16 1.784 10.317 0.111
127 HA CYS 16 HA CYS 16 1.553 8.417 2.333
128 HB2 CYS 16 HB2 CYS 16 2.441 8.203 -0.514
129 HB3 CYS 16 HB3 CYS 16 3.067 7.051 0.660
130 H GLY 17 H GLY 17 2.800 10.399 3.381
131 HA2 GLY 17 HA2 GLY 17 5.444 9.443 3.882
132 HA3 GLY 17 HA3 GLY 17 5.470 10.914 2.920
133 HN1 NH2 18 H1 NH2 18 6.458 12.136 4.526
134 HN2 NH2 18 H2 NH2 18 5.682 12.643 5.960
Start of MODEL 17
1 H1 ARG 1 H ARG 1 0.949 2.441 2.069
2 HA ARG 1 HA ARG 1 3.774 1.965 1.553
3 HB2 ARG 1 HB2 ARG 1 1.558 0.171 0.652
4 HB3 ARG 1 HB3 ARG 1 2.938 0.422 -0.410
5 HG2 ARG 1 HG2 ARG 1 4.438 -0.504 1.162
6 HG3 ARG 1 HG3 ARG 1 3.230 -0.460 2.446
7 HD2 ARG 1 HD2 ARG 1 1.891 -2.008 0.802
8 HD3 ARG 1 HD3 ARG 1 3.492 -2.334 0.140
9 HE ARG 1 HE ARG 1 3.829 -2.709 2.799
10 HH11 ARG 1 HH11 ARG 1 1.553 -3.943 0.473
11 HH12 ARG 1 HH12 ARG 1 1.331 -5.452 1.294
12 HH21 ARG 1 HH21 ARG 1 3.547 -4.691 3.890
13 HH22 ARG 1 HH22 ARG 1 2.466 -5.876 3.240
14 H CYS 2 H CYS 2 4.516 3.278 0.007
15 HA CYS 2 HA CYS 2 2.613 4.968 -1.399
16 HB2 CYS 2 HB2 CYS 2 5.637 5.086 -1.388
17 HB3 CYS 2 HB3 CYS 2 4.543 6.324 -1.999
18 H LYS 3 H LYS 3 3.628 5.621 -3.718
19 HA LYS 3 HA LYS 3 3.323 3.227 -5.301
20 HB2 LYS 3 HB2 LYS 3 3.563 6.156 -5.940
21 HB3 LYS 3 HB3 LYS 3 3.645 4.943 -7.210
22 HG2 LYS 3 HG2 LYS 3 1.416 4.095 -6.171
23 HG3 LYS 3 HG3 LYS 3 1.347 5.717 -5.476
24 HD2 LYS 3 HD2 LYS 3 1.927 5.417 -8.385
25 HD3 LYS 3 HD3 LYS 3 0.268 5.199 -7.820
26 HE2 LYS 3 HE2 LYS 3 0.207 7.399 -6.912
27 HE3 LYS 3 HE3 LYS 3 1.941 7.612 -7.149
28 HZ1 LYS 3 HZ1 LYS 3 1.609 7.578 -9.523
29 HZ2 LYS 3 HZ2 LYS 3 0.623 8.765 -8.834
30 HZ3 LYS 3 HZ3 LYS 3 -0.048 7.295 -9.331
31 H THR 4 H THR 4 4.802 2.826 -7.169
32 HA THR 4 HA THR 4 7.443 2.424 -6.250
33 HB THR 4 HB THR 4 6.526 0.892 -7.865
34 HG1 THR 4 HG1 THR 4 8.450 2.275 -9.392
35 HG21 THR 4 HG21 THR 4 5.575 3.244 -9.120
36 HG22 THR 4 HG22 THR 4 5.257 1.568 -9.565
37 HG23 THR 4 HG23 THR 4 6.626 2.423 -10.273
38 H CYS 5 H CYS 5 9.417 3.247 -7.173
39 HA CYS 5 HA CYS 5 9.142 5.968 -8.274
40 HB2 CYS 5 HB2 CYS 5 11.249 6.522 -7.044
41 HB3 CYS 5 HB3 CYS 5 9.883 6.167 -5.992
42 H SER 6 H SER 6 11.271 6.710 -9.301
43 HA SER 6 HA SER 6 11.907 4.888 -11.391
44 HB2 SER 6 HB2 SER 6 13.408 7.423 -10.724
45 HB3 SER 6 HB3 SER 6 13.259 6.636 -12.295
46 HG SER 6 HG SER 6 11.015 7.135 -12.224
47 H LYS 7 H LYS 7 14.054 4.146 -11.962
48 HA LYS 7 HA LYS 7 15.351 2.838 -9.818
49 HB2 LYS 7 HB2 LYS 7 17.017 2.165 -11.532
50 HB3 LYS 7 HB3 LYS 7 15.357 1.856 -12.023
51 HG2 LYS 7 HG2 LYS 7 15.619 4.243 -13.128
52 HG3 LYS 7 HG3 LYS 7 17.327 3.794 -13.097
53 HD2 LYS 7 HD2 LYS 7 16.648 2.987 -15.157
54 HD3 LYS 7 HD3 LYS 7 16.488 1.561 -14.131
55 HE2 LYS 7 HE2 LYS 7 14.059 2.304 -13.800
56 HE3 LYS 7 HE3 LYS 7 14.335 3.378 -15.170
57 HZ1 LYS 7 HZ1 LYS 7 13.573 1.556 -16.258
58 HZ2 LYS 7 HZ2 LYS 7 14.147 0.463 -15.102
59 HZ3 LYS 7 HZ3 LYS 7 15.215 1.147 -16.223
60 H GLY 8 H GLY 8 16.672 3.717 -8.375
61 HA2 GLY 8 HA2 GLY 8 18.698 4.750 -7.741
62 HA3 GLY 8 HA3 GLY 8 18.725 5.591 -9.281
63 H ARG 9 H ARG 9 15.873 6.396 -8.933
64 HA ARG 9 HA ARG 9 16.334 8.546 -6.971
65 HB2 ARG 9 HB2 ARG 9 14.908 8.542 -9.621
66 HB3 ARG 9 HB3 ARG 9 14.592 9.780 -8.412
67 HG2 ARG 9 HG2 ARG 9 16.743 10.658 -8.568
68 HG3 ARG 9 HG3 ARG 9 17.379 9.203 -9.336
69 HD2 ARG 9 HD2 ARG 9 15.662 9.803 -11.214
70 HD3 ARG 9 HD3 ARG 9 15.754 11.417 -10.508
71 HE ARG 9 HE ARG 9 18.340 10.331 -11.010
72 HH11 ARG 9 HH11 ARG 9 15.611 11.869 -12.529
73 HH12 ARG 9 HH12 ARG 9 16.546 12.550 -13.820
74 HH21 ARG 9 HH21 ARG 9 19.583 11.221 -12.705
75 HH22 ARG 9 HH22 ARG 9 18.805 12.180 -13.919
76 H CYS 10 H CYS 10 15.149 8.329 -5.201
77 HA CYS 10 HA CYS 10 12.340 7.564 -5.444
78 HB2 CYS 10 HB2 CYS 10 14.052 5.623 -4.771
79 HB3 CYS 10 HB3 CYS 10 13.832 6.341 -3.179
80 H ARG 11 H ARG 11 11.073 8.848 -4.270
81 HA ARG 11 HA ARG 11 12.123 10.096 -1.842
82 HB2 ARG 11 HB2 ARG 11 11.180 11.535 -4.294
83 HB3 ARG 11 HB3 ARG 11 10.914 12.254 -2.711
84 HG2 ARG 11 HG2 ARG 11 13.605 11.398 -3.754
85 HG3 ARG 11 HG3 ARG 11 12.969 13.042 -3.848
86 HD2 ARG 11 HD2 ARG 11 12.767 13.066 -1.386
87 HD3 ARG 11 HD3 ARG 11 13.493 11.460 -1.335
88 HE ARG 11 HE ARG 11 15.330 12.895 -2.683
89 HH11 ARG 11 HH11 ARG 11 13.656 13.430 0.321
90 HH12 ARG 11 HH12 ARG 11 14.957 14.327 1.036
91 HH21 ARG 11 HH21 ARG 11 17.048 14.073 -1.754
92 HH22 ARG 11 HH22 ARG 11 16.884 14.692 -0.146
93 HA PRO 12 HA PRO 12 8.122 9.380 -0.192
94 HB2 PRO 12 HB2 PRO 12 7.774 11.532 1.426
95 HB3 PRO 12 HB3 PRO 12 8.901 10.221 1.799
96 HG2 PRO 12 HG2 PRO 12 9.450 12.909 0.597
97 HG3 PRO 12 HG3 PRO 12 10.357 12.034 1.846
98 HD2 PRO 12 HD2 PRO 12 11.137 12.099 -0.746
99 HD3 PRO 12 HD3 PRO 12 11.435 10.701 0.306
100 H LYS 13 H LYS 13 6.004 9.759 -0.633
101 HA LYS 13 HA LYS 13 5.397 11.771 -2.617
102 HB2 LYS 13 HB2 LYS 13 3.878 9.496 -1.378
103 HB3 LYS 13 HB3 LYS 13 3.035 10.714 -2.327
104 HG2 LYS 13 HG2 LYS 13 5.434 9.515 -3.562
105 HG3 LYS 13 HG3 LYS 13 4.027 8.463 -3.370
106 HD2 LYS 13 HD2 LYS 13 3.399 9.350 -5.342
107 HD3 LYS 13 HD3 LYS 13 2.861 10.706 -4.348
108 HE2 LYS 13 HE2 LYS 13 5.394 11.441 -4.677
109 HE3 LYS 13 HE3 LYS 13 5.221 10.465 -6.135
110 HZ1 LYS 13 HZ1 LYS 13 3.952 12.007 -7.092
111 HZ2 LYS 13 HZ2 LYS 13 4.502 13.063 -5.890
112 HZ3 LYS 13 HZ3 LYS 13 3.024 12.262 -5.700
113 HA PRO 14 HA PRO 14 3.622 14.844 -0.036
114 HB2 PRO 14 HB2 PRO 14 1.537 15.708 -1.544
115 HB3 PRO 14 HB3 PRO 14 3.222 16.065 -1.941
116 HG2 PRO 14 HG2 PRO 14 1.416 13.960 -3.066
117 HG3 PRO 14 HG3 PRO 14 2.552 15.027 -3.912
118 HD2 PRO 14 HD2 PRO 14 3.135 12.448 -3.325
119 HD3 PRO 14 HD3 PRO 14 4.374 13.719 -3.373
120 H ASN 15 H ASN 15 1.393 12.429 -1.332
121 HA ASN 15 HA ASN 15 -0.621 12.987 0.662
122 HB2 ASN 15 HB2 ASN 15 -0.357 11.072 -1.624
123 HB3 ASN 15 HB3 ASN 15 -1.561 10.757 -0.376
124 HD21 ASN 15 HD21 ASN 15 -3.470 11.331 -1.109
125 HD22 ASN 15 HD22 ASN 15 -3.839 12.792 -1.953
126 H CYS 16 H CYS 16 2.033 10.786 0.221
127 HA CYS 16 HA CYS 16 1.267 8.828 2.112
128 HB2 CYS 16 HB2 CYS 16 3.760 9.572 0.687
129 HB3 CYS 16 HB3 CYS 16 3.953 8.643 2.169
130 H GLY 17 H GLY 17 2.729 8.413 4.103
131 HA2 GLY 17 HA2 GLY 17 3.848 9.263 6.005
132 HA3 GLY 17 HA3 GLY 17 3.431 10.891 5.493
133 HN1 NH2 18 H1 NH2 18 1.777 7.882 6.464
134 HN2 NH2 18 H2 NH2 18 0.599 8.597 7.473
Start of MODEL 18
1 H1 ARG 1 H ARG 1 2.585 0.548 2.443
2 HA ARG 1 HA ARG 1 4.696 1.132 0.653
3 HB2 ARG 1 HB2 ARG 1 2.324 -0.699 0.583
4 HB3 ARG 1 HB3 ARG 1 3.294 -0.467 -0.866
5 HG2 ARG 1 HG2 ARG 1 5.293 -1.045 0.669
6 HG3 ARG 1 HG3 ARG 1 4.059 -1.715 1.739
7 HD2 ARG 1 HD2 ARG 1 3.231 -2.977 -0.335
8 HD3 ARG 1 HD3 ARG 1 4.781 -2.546 -1.055
9 HE ARG 1 HE ARG 1 5.416 -3.668 1.358
10 HH11 ARG 1 HH11 ARG 1 3.632 -4.675 -1.456
11 HH12 ARG 1 HH12 ARG 1 4.011 -6.353 -1.258
12 HH21 ARG 1 HH21 ARG 1 5.924 -5.876 1.630
13 HH22 ARG 1 HH22 ARG 1 5.315 -7.035 0.499
14 H CYS 2 H CYS 2 4.763 2.906 -0.558
15 HA CYS 2 HA CYS 2 2.269 3.946 -1.707
16 HB2 CYS 2 HB2 CYS 2 4.949 5.336 -1.607
17 HB3 CYS 2 HB3 CYS 2 3.377 6.056 -1.945
18 H LYS 3 H LYS 3 3.134 5.362 -3.831
19 HA LYS 3 HA LYS 3 3.383 3.427 -5.849
20 HB2 LYS 3 HB2 LYS 3 2.488 5.852 -5.975
21 HB3 LYS 3 HB3 LYS 3 4.169 6.304 -6.229
22 HG2 LYS 3 HG2 LYS 3 3.268 6.125 -8.375
23 HG3 LYS 3 HG3 LYS 3 4.160 4.620 -8.141
24 HD2 LYS 3 HD2 LYS 3 2.205 3.780 -8.972
25 HD3 LYS 3 HD3 LYS 3 1.814 3.785 -7.251
26 HE2 LYS 3 HE2 LYS 3 -0.055 4.770 -8.211
27 HE3 LYS 3 HE3 LYS 3 0.905 6.160 -7.702
28 HZ1 LYS 3 HZ1 LYS 3 0.083 5.401 -10.320
29 HZ2 LYS 3 HZ2 LYS 3 1.762 5.589 -10.245
30 HZ3 LYS 3 HZ3 LYS 3 0.747 6.863 -9.787
31 H THR 4 H THR 4 5.110 3.098 -7.365
32 HA THR 4 HA THR 4 7.676 2.929 -6.064
33 HB THR 4 HB THR 4 8.366 1.978 -8.361
34 HG1 THR 4 HG1 THR 4 6.537 2.836 -9.498
35 HG21 THR 4 HG21 THR 4 6.374 0.738 -6.489
36 HG22 THR 4 HG22 THR 4 8.103 0.420 -6.641
37 HG23 THR 4 HG23 THR 4 6.986 -0.153 -7.881
38 H CYS 5 H CYS 5 9.661 3.735 -6.986
39 HA CYS 5 HA CYS 5 9.279 6.233 -8.503
40 HB2 CYS 5 HB2 CYS 5 11.537 5.704 -6.572
41 HB3 CYS 5 HB3 CYS 5 11.054 7.244 -7.279
42 H SER 6 H SER 6 11.504 6.941 -9.480
43 HA SER 6 HA SER 6 12.136 5.227 -11.551
44 HB2 SER 6 HB2 SER 6 12.682 7.625 -11.566
45 HB3 SER 6 HB3 SER 6 13.914 7.356 -10.333
46 HG SER 6 HG SER 6 14.705 7.425 -12.537
47 H LYS 7 H LYS 7 14.421 4.385 -12.002
48 HA LYS 7 HA LYS 7 15.015 2.399 -10.035
49 HB2 LYS 7 HB2 LYS 7 15.218 2.297 -12.640
50 HB3 LYS 7 HB3 LYS 7 16.808 2.994 -12.363
51 HG2 LYS 7 HG2 LYS 7 16.023 0.582 -10.810
52 HG3 LYS 7 HG3 LYS 7 16.457 0.396 -12.512
53 HD2 LYS 7 HD2 LYS 7 18.542 1.792 -11.895
54 HD3 LYS 7 HD3 LYS 7 18.137 1.375 -10.227
55 HE2 LYS 7 HE2 LYS 7 19.719 -0.228 -11.039
56 HE3 LYS 7 HE3 LYS 7 18.153 -1.025 -10.894
57 HZ1 LYS 7 HZ1 LYS 7 18.248 -1.555 -13.026
58 HZ2 LYS 7 HZ2 LYS 7 19.779 -0.849 -13.146
59 HZ3 LYS 7 HZ3 LYS 7 18.396 0.069 -13.472
60 H GLY 8 H GLY 8 15.704 3.501 -8.185
61 HA2 GLY 8 HA2 GLY 8 17.779 3.803 -6.976
62 HA3 GLY 8 HA3 GLY 8 18.436 4.590 -8.404
63 H ARG 9 H ARG 9 15.893 6.105 -8.783
64 HA ARG 9 HA ARG 9 16.418 8.153 -6.738
65 HB2 ARG 9 HB2 ARG 9 15.511 8.297 -9.595
66 HB3 ARG 9 HB3 ARG 9 15.168 9.619 -8.489
67 HG2 ARG 9 HG2 ARG 9 17.444 10.095 -8.176
68 HG3 ARG 9 HG3 ARG 9 17.944 8.557 -8.884
69 HD2 ARG 9 HD2 ARG 9 16.895 9.366 -11.041
70 HD3 ARG 9 HD3 ARG 9 16.771 10.951 -10.279
71 HE ARG 9 HE ARG 9 19.372 10.352 -9.952
72 HH11 ARG 9 HH11 ARG 9 17.273 10.275 -12.727
73 HH12 ARG 9 HH12 ARG 9 18.539 10.620 -13.858
74 HH21 ARG 9 HH21 ARG 9 21.048 10.808 -11.429
75 HH22 ARG 9 HH22 ARG 9 20.687 10.923 -13.119
76 H CYS 10 H CYS 10 14.916 8.522 -5.255
77 HA CYS 10 HA CYS 10 12.096 8.248 -5.910
78 HB2 CYS 10 HB2 CYS 10 12.865 6.003 -5.084
79 HB3 CYS 10 HB3 CYS 10 13.266 6.767 -3.549
80 H ARG 11 H ARG 11 10.709 9.346 -4.468
81 HA ARG 11 HA ARG 11 11.983 10.928 -2.358
82 HB2 ARG 11 HB2 ARG 11 10.657 11.972 -4.813
83 HB3 ARG 11 HB3 ARG 11 10.386 12.834 -3.304
84 HG2 ARG 11 HG2 ARG 11 12.637 13.396 -3.079
85 HG3 ARG 11 HG3 ARG 11 13.152 12.160 -4.230
86 HD2 ARG 11 HD2 ARG 11 11.895 13.451 -5.995
87 HD3 ARG 11 HD3 ARG 11 11.711 14.740 -4.806
88 HE ARG 11 HE ARG 11 14.431 13.986 -5.060
89 HH11 ARG 11 HH11 ARG 11 11.899 15.743 -6.678
90 HH12 ARG 11 HH12 ARG 11 12.987 16.807 -7.506
91 HH21 ARG 11 HH21 ARG 11 15.875 15.382 -6.142
92 HH22 ARG 11 HH22 ARG 11 15.249 16.600 -7.200
93 HA PRO 12 HA PRO 12 8.349 10.153 -0.027
94 HB2 PRO 12 HB2 PRO 12 8.015 12.478 1.334
95 HB3 PRO 12 HB3 PRO 12 9.313 11.333 1.693
96 HG2 PRO 12 HG2 PRO 12 9.405 13.857 0.085
97 HG3 PRO 12 HG3 PRO 12 10.565 13.247 1.279
98 HD2 PRO 12 HD2 PRO 12 10.960 13.004 -1.389
99 HD3 PRO 12 HD3 PRO 12 11.546 11.800 -0.223
100 H LYS 13 H LYS 13 6.162 10.288 -0.182
101 HA LYS 13 HA LYS 13 5.076 11.942 -2.289
102 HB2 LYS 13 HB2 LYS 13 4.004 9.735 -0.562
103 HB3 LYS 13 HB3 LYS 13 2.901 10.741 -1.491
104 HG2 LYS 13 HG2 LYS 13 5.220 9.295 -2.739
105 HG3 LYS 13 HG3 LYS 13 3.619 8.573 -2.562
106 HD2 LYS 13 HD2 LYS 13 2.654 10.420 -3.859
107 HD3 LYS 13 HD3 LYS 13 4.263 11.122 -4.049
108 HE2 LYS 13 HE2 LYS 13 3.676 8.313 -4.923
109 HE3 LYS 13 HE3 LYS 13 3.311 9.689 -5.966
110 HZ1 LYS 13 HZ1 LYS 13 5.426 9.119 -6.617
111 HZ2 LYS 13 HZ2 LYS 13 5.927 8.694 -5.058
112 HZ3 LYS 13 HZ3 LYS 13 5.753 10.324 -5.475
113 HA PRO 14 HA PRO 14 3.373 15.187 0.124
114 HB2 PRO 14 HB2 PRO 14 1.017 15.651 -1.144
115 HB3 PRO 14 HB3 PRO 14 2.584 16.089 -1.837
116 HG2 PRO 14 HG2 PRO 14 0.865 13.703 -2.396
117 HG3 PRO 14 HG3 PRO 14 1.755 14.731 -3.533
118 HD2 PRO 14 HD2 PRO 14 2.680 12.321 -2.722
119 HD3 PRO 14 HD3 PRO 14 3.759 13.671 -3.120
120 H ASN 15 H ASN 15 1.042 12.602 -0.618
121 HA ASN 15 HA ASN 15 -0.249 13.088 1.976
122 HB2 ASN 15 HB2 ASN 15 -1.700 13.158 -0.044
123 HB3 ASN 15 HB3 ASN 15 -1.279 11.480 -0.371
124 HD21 ASN 15 HD21 ASN 15 -3.208 13.625 1.468
125 HD22 ASN 15 HD22 ASN 15 -4.100 12.433 2.342
126 H CYS 16 H CYS 16 1.502 10.750 0.090
127 HA CYS 16 HA CYS 16 1.110 8.699 2.150
128 HB2 CYS 16 HB2 CYS 16 0.845 8.243 -0.376
129 HB3 CYS 16 HB3 CYS 16 2.603 8.313 -0.434
130 H GLY 17 H GLY 17 2.527 10.532 3.306
131 HA2 GLY 17 HA2 GLY 17 5.357 10.325 2.781
132 HA3 GLY 17 HA3 GLY 17 4.598 11.205 4.101
133 HN1 NH2 18 H1 NH2 18 6.820 9.041 3.721
134 HN2 NH2 18 H2 NH2 18 6.554 7.938 4.997
Start of MODEL 19
1 H1 ARG 1 H ARG 1 3.549 -1.881 -0.190
2 HA ARG 1 HA ARG 1 5.269 0.160 -0.199
3 HB2 ARG 1 HB2 ARG 1 5.421 -2.055 -1.473
4 HB3 ARG 1 HB3 ARG 1 4.630 -1.215 -2.800
5 HG2 ARG 1 HG2 ARG 1 6.448 0.175 -3.174
6 HG3 ARG 1 HG3 ARG 1 7.111 -0.100 -1.562
7 HD2 ARG 1 HD2 ARG 1 6.933 -2.202 -3.716
8 HD3 ARG 1 HD3 ARG 1 8.370 -1.232 -3.391
9 HE ARG 1 HE ARG 1 7.384 -3.455 -1.844
10 HH11 ARG 1 HH11 ARG 1 9.369 -0.595 -1.842
11 HH12 ARG 1 HH12 ARG 1 10.355 -1.124 -0.519
12 HH21 ARG 1 HH21 ARG 1 8.675 -4.161 -0.102
13 HH22 ARG 1 HH22 ARG 1 9.961 -3.153 0.469
14 H CYS 2 H CYS 2 3.191 1.722 0.045
15 HA CYS 2 HA CYS 2 1.968 2.798 -2.210
16 HB2 CYS 2 HB2 CYS 2 1.391 3.267 0.203
17 HB3 CYS 2 HB3 CYS 2 2.766 4.368 0.245
18 H LYS 3 H LYS 3 4.941 3.864 -0.569
19 HA LYS 3 HA LYS 3 5.520 5.936 -2.414
20 HB2 LYS 3 HB2 LYS 3 7.440 4.451 -0.613
21 HB3 LYS 3 HB3 LYS 3 7.707 6.024 -1.351
22 HG2 LYS 3 HG2 LYS 3 5.933 6.990 -0.023
23 HG3 LYS 3 HG3 LYS 3 5.553 5.408 0.663
24 HD2 LYS 3 HD2 LYS 3 8.266 6.684 0.930
25 HD3 LYS 3 HD3 LYS 3 6.967 6.956 2.096
26 HE2 LYS 3 HE2 LYS 3 6.848 4.359 2.161
27 HE3 LYS 3 HE3 LYS 3 8.471 4.444 1.478
28 HZ1 LYS 3 HZ1 LYS 3 8.800 6.118 3.452
29 HZ2 LYS 3 HZ2 LYS 3 8.961 4.450 3.685
30 HZ3 LYS 3 HZ3 LYS 3 7.530 5.233 4.135
31 H THR 4 H THR 4 6.491 5.898 -4.343
32 HA THR 4 HA THR 4 7.708 3.360 -5.222
33 HB THR 4 HB THR 4 7.050 3.938 -7.519
34 HG1 THR 4 HG1 THR 4 6.862 6.126 -7.542
35 HG21 THR 4 HG21 THR 4 4.400 4.134 -6.696
36 HG22 THR 4 HG22 THR 4 5.220 3.334 -5.354
37 HG23 THR 4 HG23 THR 4 5.306 2.649 -6.978
38 H CYS 5 H CYS 5 9.503 3.491 -6.663
39 HA CYS 5 HA CYS 5 11.067 5.947 -6.285
40 HB2 CYS 5 HB2 CYS 5 12.071 3.252 -7.208
41 HB3 CYS 5 HB3 CYS 5 13.031 4.617 -6.647
42 H SER 6 H SER 6 11.613 7.214 -7.948
43 HA SER 6 HA SER 6 10.855 6.322 -10.646
44 HB2 SER 6 HB2 SER 6 11.138 9.091 -9.466
45 HB3 SER 6 HB3 SER 6 10.884 8.789 -11.184
46 HG SER 6 HG SER 6 9.111 8.659 -9.093
47 H LYS 7 H LYS 7 12.354 6.066 -12.174
48 HA LYS 7 HA LYS 7 14.407 5.856 -13.138
49 HB2 LYS 7 HB2 LYS 7 13.919 8.380 -13.224
50 HB3 LYS 7 HB3 LYS 7 15.080 8.521 -11.911
51 HG2 LYS 7 HG2 LYS 7 16.860 8.032 -13.245
52 HG3 LYS 7 HG3 LYS 7 15.905 7.035 -14.344
53 HD2 LYS 7 HD2 LYS 7 14.908 8.999 -15.329
54 HD3 LYS 7 HD3 LYS 7 15.719 10.040 -14.156
55 HE2 LYS 7 HE2 LYS 7 17.796 9.740 -15.135
56 HE3 LYS 7 HE3 LYS 7 17.324 8.227 -15.910
57 HZ1 LYS 7 HZ1 LYS 7 17.433 9.820 -17.610
58 HZ2 LYS 7 HZ2 LYS 7 16.602 10.985 -16.707
59 HZ3 LYS 7 HZ3 LYS 7 15.780 9.630 -17.300
60 H GLY 8 H GLY 8 14.115 4.793 -10.459
61 HA2 GLY 8 HA2 GLY 8 15.690 3.533 -9.244
62 HA3 GLY 8 HA3 GLY 8 16.957 4.611 -9.811
63 H ARG 9 H ARG 9 15.321 6.990 -9.064
64 HA ARG 9 HA ARG 9 16.353 7.319 -6.437
65 HB2 ARG 9 HB2 ARG 9 14.541 8.986 -8.171
66 HB3 ARG 9 HB3 ARG 9 14.958 9.470 -6.532
67 HG2 ARG 9 HG2 ARG 9 17.201 9.790 -7.064
68 HG3 ARG 9 HG3 ARG 9 17.084 8.825 -8.537
69 HD2 ARG 9 HD2 ARG 9 15.456 10.616 -9.364
70 HD3 ARG 9 HD3 ARG 9 16.052 11.597 -8.026
71 HE ARG 9 HE ARG 9 17.432 10.975 -10.469
72 HH11 ARG 9 HH11 ARG 9 17.788 11.910 -7.135
73 HH12 ARG 9 HH12 ARG 9 19.341 12.643 -7.371
74 HH21 ARG 9 HH21 ARG 9 19.475 11.936 -10.793
75 HH22 ARG 9 HH22 ARG 9 20.299 12.658 -9.452
76 H CYS 10 H CYS 10 15.468 6.859 -4.533
77 HA CYS 10 HA CYS 10 12.613 6.141 -4.467
78 HB2 CYS 10 HB2 CYS 10 14.930 5.226 -2.760
79 HB3 CYS 10 HB3 CYS 10 13.250 4.880 -2.369
80 H ARG 11 H ARG 11 11.360 7.650 -3.609
81 HA ARG 11 HA ARG 11 12.113 8.906 -1.104
82 HB2 ARG 11 HB2 ARG 11 11.915 10.365 -3.693
83 HB3 ARG 11 HB3 ARG 11 11.271 11.151 -2.257
84 HG2 ARG 11 HG2 ARG 11 13.500 10.762 -1.170
85 HG3 ARG 11 HG3 ARG 11 14.094 10.244 -2.750
86 HD2 ARG 11 HD2 ARG 11 12.993 12.947 -1.999
87 HD3 ARG 11 HD3 ARG 11 14.652 12.555 -2.446
88 HE ARG 11 HE ARG 11 12.994 11.817 -4.565
89 HH11 ARG 11 HH11 ARG 11 14.031 14.702 -2.916
90 HH12 ARG 11 HH12 ARG 11 13.871 15.714 -4.312
91 HH21 ARG 11 HH21 ARG 11 12.780 13.139 -6.411
92 HH22 ARG 11 HH22 ARG 11 13.158 14.826 -6.300
93 HA PRO 12 HA PRO 12 7.819 8.686 -0.237
94 HB2 PRO 12 HB2 PRO 12 7.402 10.926 1.240
95 HB3 PRO 12 HB3 PRO 12 8.292 9.525 1.850
96 HG2 PRO 12 HG2 PRO 12 9.340 12.094 0.722
97 HG3 PRO 12 HG3 PRO 12 9.896 11.184 2.140
98 HD2 PRO 12 HD2 PRO 12 11.157 11.066 -0.255
99 HD3 PRO 12 HD3 PRO 12 11.100 9.688 0.864
100 H LYS 13 H LYS 13 5.875 9.259 -1.086
101 HA LYS 13 HA LYS 13 5.860 11.180 -3.226
102 HB2 LYS 13 HB2 LYS 13 4.103 9.037 -2.248
103 HB3 LYS 13 HB3 LYS 13 3.249 10.416 -2.924
104 HG2 LYS 13 HG2 LYS 13 4.000 10.028 -5.032
105 HG3 LYS 13 HG3 LYS 13 5.521 9.323 -4.480
106 HD2 LYS 13 HD2 LYS 13 4.548 7.244 -4.075
107 HD3 LYS 13 HD3 LYS 13 2.915 7.913 -4.017
108 HE2 LYS 13 HE2 LYS 13 3.352 8.528 -6.497
109 HE3 LYS 13 HE3 LYS 13 4.645 7.334 -6.393
110 HZ1 LYS 13 HZ1 LYS 13 3.063 5.659 -5.799
111 HZ2 LYS 13 HZ2 LYS 13 2.522 6.418 -7.209
112 HZ3 LYS 13 HZ3 LYS 13 1.805 6.786 -5.721
113 HA PRO 14 HA PRO 14 4.178 14.680 -1.181
114 HB2 PRO 14 HB2 PRO 14 2.497 15.677 -3.068
115 HB3 PRO 14 HB3 PRO 14 4.257 15.769 -3.204
116 HG2 PRO 14 HG2 PRO 14 2.357 13.830 -4.469
117 HG3 PRO 14 HG3 PRO 14 3.753 14.657 -5.184
118 HD2 PRO 14 HD2 PRO 14 3.858 12.086 -4.339
119 HD3 PRO 14 HD3 PRO 14 5.260 13.173 -4.268
120 H ASN 15 H ASN 15 1.843 12.482 -2.668
121 HA ASN 15 HA ASN 15 -0.275 13.438 -0.905
122 HB2 ASN 15 HB2 ASN 15 -0.330 11.337 -3.083
123 HB3 ASN 15 HB3 ASN 15 -1.734 11.922 -2.194
124 HD21 ASN 15 HD21 ASN 15 -0.415 12.094 -5.065
125 HD22 ASN 15 HD22 ASN 15 -0.783 13.720 -5.518
126 H CYS 16 H CYS 16 1.899 10.752 -1.296
127 HA CYS 16 HA CYS 16 0.621 9.397 0.986
128 HB2 CYS 16 HB2 CYS 16 0.902 8.250 -1.366
129 HB3 CYS 16 HB3 CYS 16 2.558 8.004 -0.821
130 H GLY 17 H GLY 17 2.195 11.476 1.657
131 HA2 GLY 17 HA2 GLY 17 4.813 10.313 2.347
132 HA3 GLY 17 HA3 GLY 17 4.447 12.032 2.309
133 HN1 NH2 18 H1 NH2 18 5.699 11.228 4.487
134 HN2 NH2 18 H2 NH2 18 4.690 11.122 5.862
Start of MODEL 20
1 H1 ARG 1 H ARG 1 0.681 0.690 2.454
2 HA ARG 1 HA ARG 1 1.815 0.313 0.399
3 HB2 ARG 1 HB2 ARG 1 -1.172 0.346 0.116
4 HB3 ARG 1 HB3 ARG 1 -0.155 -0.086 -1.251
5 HG2 ARG 1 HG2 ARG 1 -0.575 -2.149 -0.368
6 HG3 ARG 1 HG3 ARG 1 0.922 -1.740 0.474
7 HD2 ARG 1 HD2 ARG 1 -0.161 -1.328 2.472
8 HD3 ARG 1 HD3 ARG 1 -1.703 -0.998 1.686
9 HE ARG 1 HE ARG 1 -0.761 -3.522 2.604
10 HH11 ARG 1 HH11 ARG 1 -2.688 -1.989 0.143
11 HH12 ARG 1 HH12 ARG 1 -3.680 -3.382 -0.133
12 HH21 ARG 1 HH21 ARG 1 -2.060 -5.363 2.250
13 HH22 ARG 1 HH22 ARG 1 -3.322 -5.301 1.066
14 H CYS 2 H CYS 2 1.956 3.105 0.865
15 HA CYS 2 HA CYS 2 1.463 4.167 -1.839
16 HB2 CYS 2 HB2 CYS 2 1.510 6.428 -0.729
17 HB3 CYS 2 HB3 CYS 2 0.140 5.414 -0.287
18 H LYS 3 H LYS 3 3.612 2.898 -2.051
19 HA LYS 3 HA LYS 3 5.823 4.770 -1.506
20 HB2 LYS 3 HB2 LYS 3 5.939 1.749 -1.605
21 HB3 LYS 3 HB3 LYS 3 7.327 2.812 -1.406
22 HG2 LYS 3 HG2 LYS 3 5.958 3.698 0.648
23 HG3 LYS 3 HG3 LYS 3 5.169 2.124 0.524
24 HD2 LYS 3 HD2 LYS 3 7.517 1.133 0.495
25 HD3 LYS 3 HD3 LYS 3 8.077 2.728 1.007
26 HE2 LYS 3 HE2 LYS 3 5.890 1.308 2.488
27 HE3 LYS 3 HE3 LYS 3 7.585 0.940 2.805
28 HZ1 LYS 3 HZ1 LYS 3 6.190 2.892 4.013
29 HZ2 LYS 3 HZ2 LYS 3 6.959 3.757 2.781
30 HZ3 LYS 3 HZ3 LYS 3 7.876 2.862 3.884
31 H THR 4 H THR 4 6.926 5.468 -3.224
32 HA THR 4 HA THR 4 6.737 3.953 -5.737
33 HB THR 4 HB THR 4 6.461 6.954 -5.488
34 HG1 THR 4 HG1 THR 4 4.517 5.291 -6.643
35 HG21 THR 4 HG21 THR 4 7.643 6.480 -7.503
36 HG22 THR 4 HG22 THR 4 5.964 6.780 -7.952
37 HG23 THR 4 HG23 THR 4 6.575 5.128 -7.884
38 H CYS 5 H CYS 5 8.534 4.020 -7.067
39 HA CYS 5 HA CYS 5 10.880 5.462 -6.024
40 HB2 CYS 5 HB2 CYS 5 10.536 2.578 -6.582
41 HB3 CYS 5 HB3 CYS 5 12.031 3.294 -7.174
42 H SER 6 H SER 6 11.720 6.800 -7.467
43 HA SER 6 HA SER 6 10.896 6.656 -10.239
44 HB2 SER 6 HB2 SER 6 11.274 8.776 -8.677
45 HB3 SER 6 HB3 SER 6 12.917 8.644 -9.305
46 HG SER 6 HG SER 6 12.094 9.729 -10.916
47 H LYS 7 H LYS 7 12.643 7.129 -11.928
48 HA LYS 7 HA LYS 7 14.455 4.954 -11.956
49 HB2 LYS 7 HB2 LYS 7 14.452 7.388 -13.749
50 HB3 LYS 7 HB3 LYS 7 15.210 5.839 -14.089
51 HG2 LYS 7 HG2 LYS 7 12.250 6.180 -13.681
52 HG3 LYS 7 HG3 LYS 7 13.038 6.253 -15.260
53 HD2 LYS 7 HD2 LYS 7 13.922 3.976 -14.886
54 HD3 LYS 7 HD3 LYS 7 13.050 3.912 -13.353
55 HE2 LYS 7 HE2 LYS 7 11.547 4.569 -15.841
56 HE3 LYS 7 HE3 LYS 7 12.021 2.896 -15.552
57 HZ1 LYS 7 HZ1 LYS 7 9.759 3.669 -14.699
58 HZ2 LYS 7 HZ2 LYS 7 10.619 4.461 -13.478
59 HZ3 LYS 7 HZ3 LYS 7 10.734 2.782 -13.638
60 H GLY 8 H GLY 8 15.985 4.993 -10.372
61 HA2 GLY 8 HA2 GLY 8 18.269 5.521 -9.923
62 HA3 GLY 8 HA3 GLY 8 18.000 7.119 -10.602
63 H ARG 9 H ARG 9 15.455 7.383 -9.069
64 HA ARG 9 HA ARG 9 16.660 7.935 -6.436
65 HB2 ARG 9 HB2 ARG 9 14.609 9.461 -8.032
66 HB3 ARG 9 HB3 ARG 9 14.824 9.717 -6.305
67 HG2 ARG 9 HG2 ARG 9 16.965 10.596 -6.578
68 HG3 ARG 9 HG3 ARG 9 17.132 9.924 -8.202
69 HD2 ARG 9 HD2 ARG 9 15.195 12.099 -7.417
70 HD3 ARG 9 HD3 ARG 9 16.755 12.370 -8.193
71 HE ARG 9 HE ARG 9 14.335 11.549 -9.455
72 HH11 ARG 9 HH11 ARG 9 17.801 11.247 -9.590
73 HH12 ARG 9 HH12 ARG 9 17.837 10.922 -11.291
74 HH21 ARG 9 HH21 ARG 9 14.370 11.122 -11.695
75 HH22 ARG 9 HH22 ARG 9 15.886 10.852 -12.488
76 H CYS 10 H CYS 10 15.325 7.702 -4.577
77 HA CYS 10 HA CYS 10 12.827 6.222 -4.943
78 HB2 CYS 10 HB2 CYS 10 15.323 5.191 -3.727
79 HB3 CYS 10 HB3 CYS 10 13.840 4.859 -2.838
80 H ARG 11 H ARG 11 11.386 7.479 -3.959
81 HA ARG 11 HA ARG 11 11.734 8.114 -1.158
82 HB2 ARG 11 HB2 ARG 11 11.797 10.177 -3.307
83 HB3 ARG 11 HB3 ARG 11 10.928 10.559 -1.826
84 HG2 ARG 11 HG2 ARG 11 13.054 9.874 -0.601
85 HG3 ARG 11 HG3 ARG 11 13.841 9.948 -2.178
86 HD2 ARG 11 HD2 ARG 11 14.215 12.088 -1.506
87 HD3 ARG 11 HD3 ARG 11 12.627 12.309 -2.240
88 HE ARG 11 HE ARG 11 12.104 11.689 0.370
89 HH11 ARG 11 HH11 ARG 11 13.976 14.125 -1.269
90 HH12 ARG 11 HH12 ARG 11 13.754 15.314 -0.030
91 HH21 ARG 11 HH21 ARG 11 11.805 13.248 2.008
92 HH22 ARG 11 HH22 ARG 11 12.519 14.815 1.834
93 HA PRO 12 HA PRO 12 7.383 7.584 -1.008
94 HB2 PRO 12 HB2 PRO 12 6.638 9.365 0.901
95 HB3 PRO 12 HB3 PRO 12 7.519 7.876 1.266
96 HG2 PRO 12 HG2 PRO 12 8.556 10.669 0.976
97 HG3 PRO 12 HG3 PRO 12 8.968 9.443 2.190
98 HD2 PRO 12 HD2 PRO 12 10.546 9.963 0.052
99 HD3 PRO 12 HD3 PRO 12 10.418 8.347 0.773
100 H LYS 13 H LYS 13 5.561 8.296 -1.997
101 HA LYS 13 HA LYS 13 5.646 10.439 -3.782
102 HB2 LYS 13 HB2 LYS 13 3.120 10.134 -3.854
103 HB3 LYS 13 HB3 LYS 13 4.093 8.718 -4.233
104 HG2 LYS 13 HG2 LYS 13 3.537 7.644 -2.274
105 HG3 LYS 13 HG3 LYS 13 3.146 9.147 -1.437
106 HD2 LYS 13 HD2 LYS 13 1.092 8.022 -1.861
107 HD3 LYS 13 HD3 LYS 13 1.181 9.382 -2.983
108 HE2 LYS 13 HE2 LYS 13 0.435 7.588 -4.290
109 HE3 LYS 13 HE3 LYS 13 2.155 7.712 -4.650
110 HZ1 LYS 13 HZ1 LYS 13 2.528 5.937 -2.987
111 HZ2 LYS 13 HZ2 LYS 13 1.612 5.430 -4.315
112 HZ3 LYS 13 HZ3 LYS 13 0.852 5.757 -2.839
113 HA PRO 14 HA PRO 14 4.653 14.035 -1.470
114 HB2 PRO 14 HB2 PRO 14 3.127 15.418 -3.239
115 HB3 PRO 14 HB3 PRO 14 4.874 15.219 -3.427
116 HG2 PRO 14 HG2 PRO 14 2.644 13.715 -4.741
117 HG3 PRO 14 HG3 PRO 14 4.145 14.336 -5.451
118 HD2 PRO 14 HD2 PRO 14 3.826 11.738 -4.762
119 HD3 PRO 14 HD3 PRO 14 5.396 12.563 -4.671
120 H ASN 15 H ASN 15 1.955 12.339 -2.989
121 HA ASN 15 HA ASN 15 -0.086 13.631 -1.485
122 HB2 ASN 15 HB2 ASN 15 0.074 11.260 -3.286
123 HB3 ASN 15 HB3 ASN 15 -1.312 11.374 -2.207
124 HD21 ASN 15 HD21 ASN 15 -2.549 13.393 -2.286
125 HD22 ASN 15 HD22 ASN 15 -2.714 14.196 -3.807
126 H CYS 16 H CYS 16 2.002 10.907 -0.919
127 HA CYS 16 HA CYS 16 0.652 10.457 1.664
128 HB2 CYS 16 HB2 CYS 16 0.472 8.570 -0.031
129 HB3 CYS 16 HB3 CYS 16 2.211 8.364 0.148
130 H GLY 17 H GLY 17 2.094 12.126 2.484
131 HA2 GLY 17 HA2 GLY 17 4.874 11.183 2.807
132 HA3 GLY 17 HA3 GLY 17 4.385 12.869 2.863
133 HN1 NH2 18 H1 NH2 18 3.511 13.719 4.741
134 HN2 NH2 18 H2 NH2 18 3.510 12.923 6.251