Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653514 | 6xth RC | 34478 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 2.256 -0.126 0.156
2 HA2 GLY 1 1HA GLY 1 3.175 -1.156 -2.234
3 HA3 GLY 1 2HA GLY 1 1.401 -1.002 -2.463
4 H SER 2 H SER 2 2.399 0.873 -4.016
5 HA SER 2 HA SER 2 2.522 3.312 -2.293
6 HB2 SER 2 1HB SER 2 4.279 2.591 -4.653
7 HB3 SER 2 2HB SER 2 4.247 4.173 -3.851
8 HG SER 2 HG SER 2 4.648 2.844 -1.861
9 H ARG 3 H ARG 3 1.070 1.900 -5.029
10 HA ARG 3 HA ARG 3 0.824 4.314 -6.570
11 HB2 ARG 3 1HB ARG 3 -0.810 1.788 -6.919
12 HB3 ARG 3 2HB ARG 3 -0.418 3.009 -8.128
13 HG2 ARG 3 1HG ARG 3 1.462 0.992 -6.854
14 HG3 ARG 3 2HG ARG 3 0.872 1.023 -8.519
15 HD2 ARG 3 1HD ARG 3 1.982 3.421 -8.525
16 HD3 ARG 3 2HD ARG 3 2.937 2.755 -7.193
17 HE ARG 3 HE ARG 3 3.107 0.806 -9.124
18 HH11 ARG 3 1HH1 ARG 3 3.817 4.272 -9.166
19 HH12 ARG 3 2HH1 ARG 3 5.011 4.087 -10.438
20 HH21 ARG 3 1HH2 ARG 3 4.625 0.660 -10.713
21 HH22 ARG 3 2HH2 ARG 3 5.468 2.090 -11.285
22 H GLY 4 H GLY 4 -2.141 2.503 -5.947
23 HA2 GLY 4 1HA GLY 4 -3.469 5.080 -5.415
24 HA3 GLY 4 2HA GLY 4 -4.264 3.504 -5.643
25 H TRP 5 H TRP 5 -5.513 4.258 -3.644
26 HA TRP 5 HA TRP 5 -3.881 4.120 -1.184
27 HB2 TRP 5 1HB TRP 5 -6.769 4.878 -1.175
28 HB3 TRP 5 2HB TRP 5 -5.437 5.472 -0.183
29 HD1 TRP 5 HD1 TRP 5 -7.645 6.658 -2.785
30 HE1 TRP 5 HE1 TRP 5 -6.736 8.670 -4.063
31 HE3 TRP 5 HE3 TRP 5 -2.764 6.227 -1.396
32 HZ2 TRP 5 HZ2 TRP 5 -4.214 9.960 -4.373
33 HZ3 TRP 5 HZ3 TRP 5 -1.131 7.897 -2.225
34 HH2 TRP 5 HH2 TRP 5 -1.859 9.746 -3.698
35 H GLY 6 H GLY 6 -4.473 2.883 0.663
36 HA2 GLY 6 1HA GLY 6 -6.914 1.904 1.241
37 HA3 GLY 6 2HA GLY 6 -6.294 0.631 0.205
38 H PHE 7 H PHE 7 -4.344 -0.523 0.913
39 HA PHE 7 HA PHE 7 -4.219 -0.701 3.893
40 HB2 PHE 7 1HB PHE 7 -5.029 -2.596 1.808
41 HB3 PHE 7 2HB PHE 7 -3.716 -3.242 2.782
42 HD1 PHE 7 HD1 PHE 7 -6.672 -1.096 3.633
43 HD2 PHE 7 HD2 PHE 7 -4.572 -4.753 4.313
44 HE1 PHE 7 HE1 PHE 7 -8.298 -1.700 5.393
45 HE2 PHE 7 HE2 PHE 7 -6.228 -5.393 6.021
46 HZ PHE 7 HZ PHE 7 -8.107 -3.876 6.554
47 H GLU 8 H GLU 8 -2.208 -2.485 4.248
48 HA GLU 8 HA GLU 8 0.051 -2.796 4.195
49 HB2 GLU 8 1HB GLU 8 0.136 -3.597 2.019
50 HB3 GLU 8 2HB GLU 8 -0.625 -2.176 1.339
51 HG2 GLU 8 1HG GLU 8 1.611 -0.929 1.870
52 HG3 GLU 8 2HG GLU 8 2.308 -2.543 2.042
53 HA PRO 9 HA PRO 9 1.768 1.107 5.407
54 HB2 PRO 9 1HB PRO 9 4.449 0.457 5.471
55 HB3 PRO 9 2HB PRO 9 3.290 -0.075 6.733
56 HG2 PRO 9 1HG PRO 9 4.282 -1.584 4.318
57 HG3 PRO 9 2HG PRO 9 4.183 -2.126 6.022
58 HD2 PRO 9 1HD PRO 9 2.301 -2.799 4.221
59 HD3 PRO 9 2HD PRO 9 1.856 -2.406 5.916
60 H GLY 10 H GLY 10 1.805 2.739 4.020
61 HA2 GLY 10 1HA GLY 10 3.005 3.821 2.077
62 HA3 GLY 10 2HA GLY 10 2.903 2.236 1.288
63 H VAL 11 H VAL 11 0.235 1.868 2.707
64 HA VAL 11 HA VAL 11 -1.965 2.181 2.385
65 HB VAL 11 HB VAL 11 -1.317 5.051 1.623
66 HG11 VAL 11 1HG1 VAL 11 -3.609 5.437 2.574
67 HG12 VAL 11 2HG1 VAL 11 -3.606 4.472 1.090
68 HG13 VAL 11 3HG1 VAL 11 -3.826 3.675 2.669
69 HG21 VAL 11 1HG2 VAL 11 -1.780 3.756 4.340
70 HG22 VAL 11 2HG2 VAL 11 -0.297 4.561 3.776
71 HG23 VAL 11 3HG2 VAL 11 -1.770 5.509 4.042
72 H ARG 12 H ARG 12 -1.888 0.697 0.750
73 HA ARG 12 HA ARG 12 -2.894 1.693 -1.846
74 HB2 ARG 12 1HB ARG 12 -0.292 1.222 -1.752
75 HB3 ARG 12 2HB ARG 12 -0.790 -0.467 -1.795
76 HG2 ARG 12 1HG ARG 12 -1.360 1.653 -3.886
77 HG3 ARG 12 2HG ARG 12 -0.179 0.346 -3.999
78 HD2 ARG 12 1HD ARG 12 -2.092 -1.290 -3.810
79 HD3 ARG 12 2HD ARG 12 -3.191 0.084 -3.926
80 HE ARG 12 HE ARG 12 -2.790 0.261 -6.179
81 HH11 ARG 12 1HH1 ARG 12 -0.378 -1.973 -4.854
82 HH12 ARG 12 2HH1 ARG 12 0.155 -2.450 -6.457
83 HH21 ARG 12 1HH2 ARG 12 -2.129 -0.481 -8.136
84 HH22 ARG 12 2HH2 ARG 12 -0.826 -1.651 -8.262
85 H CYS 13 H CYS 13 -4.768 0.518 -2.189
86 HA CYS 13 HA CYS 13 -5.459 -1.778 -0.642
87 HB2 CYS 13 1HB CYS 13 -7.066 -0.281 -1.864
88 HB3 CYS 13 2HB CYS 13 -6.504 -0.995 -3.385
89 H LEU 14 H LEU 14 -4.151 -3.511 -0.635
90 HA LEU 14 HA LEU 14 -3.184 -4.552 -3.254
91 HB2 LEU 14 1HB LEU 14 -1.733 -3.710 -1.141
92 HB3 LEU 14 2HB LEU 14 -2.001 -5.357 -0.624
93 HG LEU 14 HG LEU 14 0.141 -5.153 -1.616
94 HD11 LEU 14 1HD1 LEU 14 -1.660 -6.602 -3.586
95 HD12 LEU 14 2HD1 LEU 14 0.081 -6.865 -3.342
96 HD13 LEU 14 3HD1 LEU 14 -1.063 -7.263 -2.045
97 HD21 LEU 14 1HD2 LEU 14 -1.209 -4.197 -4.162
98 HD22 LEU 14 2HD2 LEU 14 -0.311 -3.173 -3.012
99 HD23 LEU 14 3HD2 LEU 14 0.532 -4.455 -3.907
100 H ILE 15 H ILE 15 -4.251 -5.617 0.008
101 HA ILE 15 HA ILE 15 -5.447 -8.017 -1.297
102 HB ILE 15 HB ILE 15 -4.229 -7.903 1.496
103 HG12 ILE 15 1HG1 ILE 15 -3.191 -9.279 -1.001
104 HG13 ILE 15 2HG1 ILE 15 -2.532 -7.794 -0.326
105 HG21 ILE 15 1HG2 ILE 15 -4.639 -10.349 1.475
106 HG22 ILE 15 2HG2 ILE 15 -6.140 -9.430 1.288
107 HG23 ILE 15 3HG2 ILE 15 -5.396 -10.203 -0.130
108 HD11 ILE 15 1HD1 ILE 15 -2.467 -10.528 0.958
109 HD12 ILE 15 2HD1 ILE 15 -1.106 -9.570 0.336
110 HD13 ILE 15 3HD1 ILE 15 -1.989 -9.019 1.777
111 H TRP 16 H TRP 16 -7.546 -7.867 -1.205
112 HA TRP 16 HA TRP 16 -9.536 -6.722 -0.720
113 HB2 TRP 16 1HB TRP 16 -9.529 -8.359 1.762
114 HB3 TRP 16 2HB TRP 16 -10.730 -8.221 0.479
115 HD1 TRP 16 HD1 TRP 16 -8.348 -10.604 1.835
116 HE1 TRP 16 HE1 TRP 16 -7.711 -12.474 0.217
117 HE3 TRP 16 HE3 TRP 16 -10.229 -8.520 -2.423
118 HZ2 TRP 16 HZ2 TRP 16 -7.879 -12.919 -2.586
119 HZ3 TRP 16 HZ3 TRP 16 -9.951 -9.730 -4.565
120 HH2 TRP 16 HH2 TRP 16 -8.783 -11.908 -4.640
121 H CYS 17 H CYS 17 -8.684 -4.554 -0.291
122 HA CYS 17 HA CYS 17 -8.197 -3.790 2.450
123 HB2 CYS 17 1HB CYS 17 -8.112 -1.515 1.559
124 HB3 CYS 17 2HB CYS 17 -7.152 -2.636 0.586
125 H ASP 18 H ASP 18 -9.367 -2.058 3.554
126 HA ASP 18 HA ASP 18 -11.869 -2.603 4.426
127 HB2 ASP 18 1HB ASP 18 -10.472 -0.720 5.279
128 HB3 ASP 18 2HB ASP 18 -10.842 0.214 3.824
129 HC ASP 18 HC ASP 18 -12.416 -1.364 1.690
Start of MODEL 2
1 H1 GLY 1 H GLY 1 3.421 -1.892 -0.349
2 HA2 GLY 1 1HA GLY 1 4.005 -0.585 -2.162
3 HA3 GLY 1 2HA GLY 1 2.321 -0.806 -2.642
4 H SER 2 H SER 2 2.557 1.289 -3.717
5 HA SER 2 HA SER 2 1.846 3.477 -1.862
6 HB2 SER 2 1HB SER 2 4.158 3.579 -3.816
7 HB3 SER 2 2HB SER 2 3.507 4.965 -2.921
8 HG SER 2 HG SER 2 4.934 4.361 -1.486
9 H ARG 3 H ARG 3 0.819 1.907 -4.391
10 HA ARG 3 HA ARG 3 0.241 4.184 -6.157
11 HB2 ARG 3 1HB ARG 3 -0.814 1.351 -6.391
12 HB3 ARG 3 2HB ARG 3 -0.740 2.584 -7.648
13 HG2 ARG 3 1HG ARG 3 1.595 1.091 -6.408
14 HG3 ARG 3 2HG ARG 3 0.944 0.922 -8.040
15 HD2 ARG 3 1HD ARG 3 1.468 3.553 -8.076
16 HD3 ARG 3 2HD ARG 3 2.669 3.061 -6.879
17 HE ARG 3 HE ARG 3 3.032 1.256 -8.927
18 HH11 ARG 3 1HH1 ARG 3 3.013 4.791 -8.832
19 HH12 ARG 3 2HH1 ARG 3 4.082 4.909 -10.220
20 HH21 ARG 3 1HH2 ARG 3 4.418 1.494 -10.638
21 HH22 ARG 3 2HH2 ARG 3 4.886 3.092 -11.192
22 H GLY 4 H GLY 4 -2.525 2.625 -6.594
23 HA2 GLY 4 1HA GLY 4 -4.008 4.702 -5.358
24 HA3 GLY 4 2HA GLY 4 -4.687 3.233 -6.068
25 H TRP 5 H TRP 5 -5.141 4.920 -3.535
26 HA TRP 5 HA TRP 5 -3.777 3.882 -1.365
27 HB2 TRP 5 1HB TRP 5 -6.515 5.124 -1.160
28 HB3 TRP 5 2HB TRP 5 -5.140 5.310 -0.074
29 HD1 TRP 5 HD1 TRP 5 -6.923 7.195 -2.609
30 HE1 TRP 5 HE1 TRP 5 -5.565 9.133 -3.570
31 HE3 TRP 5 HE3 TRP 5 -2.328 5.717 -0.975
32 HZ2 TRP 5 HZ2 TRP 5 -2.825 9.911 -3.629
33 HZ3 TRP 5 HZ3 TRP 5 -0.357 7.105 -1.529
34 HH2 TRP 5 HH2 TRP 5 -0.609 9.180 -2.849
35 H GLY 6 H GLY 6 -4.284 2.701 0.493
36 HA2 GLY 6 1HA GLY 6 -6.759 1.608 1.142
37 HA3 GLY 6 2HA GLY 6 -5.979 0.419 0.101
38 H PHE 7 H PHE 7 -5.183 -1.181 1.230
39 HA PHE 7 HA PHE 7 -4.320 -0.861 4.012
40 HB2 PHE 7 1HB PHE 7 -5.011 -3.027 2.111
41 HB3 PHE 7 2HB PHE 7 -3.722 -3.453 3.226
42 HD1 PHE 7 HD1 PHE 7 -6.813 -1.376 3.701
43 HD2 PHE 7 HD2 PHE 7 -4.583 -4.833 4.861
44 HE1 PHE 7 HE1 PHE 7 -8.474 -1.853 5.456
45 HE2 PHE 7 HE2 PHE 7 -6.241 -5.314 6.619
46 HZ PHE 7 HZ PHE 7 -8.197 -3.830 6.916
47 H GLU 8 H GLU 8 -2.146 -2.759 3.978
48 HA GLU 8 HA GLU 8 0.098 -2.914 3.700
49 HB2 GLU 8 1HB GLU 8 -0.289 -3.298 1.358
50 HB3 GLU 8 2HB GLU 8 -0.620 -1.611 1.052
51 HG2 GLU 8 1HG GLU 8 2.058 -1.667 2.087
52 HG3 GLU 8 2HG GLU 8 1.933 -3.020 0.972
53 HA PRO 9 HA PRO 9 1.648 0.910 5.376
54 HB2 PRO 9 1HB PRO 9 4.316 0.224 5.518
55 HB3 PRO 9 2HB PRO 9 3.096 -0.358 6.696
56 HG2 PRO 9 1HG PRO 9 4.196 -1.752 4.264
57 HG3 PRO 9 2HG PRO 9 3.982 -2.383 5.926
58 HD2 PRO 9 1HD PRO 9 2.217 -2.909 3.954
59 HD3 PRO 9 2HD PRO 9 1.674 -2.651 5.648
60 H GLY 10 H GLY 10 1.905 2.668 4.180
61 HA2 GLY 10 1HA GLY 10 3.053 3.939 2.444
62 HA3 GLY 10 2HA GLY 10 3.268 2.440 1.531
63 H VAL 11 H VAL 11 0.373 1.860 2.626
64 HA VAL 11 HA VAL 11 -1.786 2.268 2.216
65 HB VAL 11 HB VAL 11 -1.048 5.052 1.258
66 HG11 VAL 11 1HG1 VAL 11 -3.371 4.363 0.841
67 HG12 VAL 11 2HG1 VAL 11 -3.552 3.892 2.548
68 HG13 VAL 11 3HG1 VAL 11 -3.297 5.599 2.111
69 HG21 VAL 11 1HG2 VAL 11 -1.453 3.980 4.078
70 HG22 VAL 11 2HG2 VAL 11 0.004 4.763 3.419
71 HG23 VAL 11 3HG2 VAL 11 -1.477 5.707 3.650
72 H ARG 12 H ARG 12 -1.742 0.664 0.654
73 HA ARG 12 HA ARG 12 -2.812 1.652 -1.910
74 HB2 ARG 12 1HB ARG 12 -0.272 1.118 -2.055
75 HB3 ARG 12 2HB ARG 12 -0.768 -0.570 -1.926
76 HG2 ARG 12 1HG ARG 12 -1.851 1.282 -4.050
77 HG3 ARG 12 2HG ARG 12 -0.335 0.394 -4.231
78 HD2 ARG 12 1HD ARG 12 -2.047 -1.607 -3.469
79 HD3 ARG 12 2HD ARG 12 -3.104 -0.559 -4.432
80 HE ARG 12 HE ARG 12 -0.616 -0.888 -5.788
81 HH11 ARG 12 1HH1 ARG 12 -3.512 -2.830 -5.068
82 HH12 ARG 12 2HH1 ARG 12 -3.251 -3.833 -6.481
83 HH21 ARG 12 1HH2 ARG 12 -0.377 -2.212 -7.502
84 HH22 ARG 12 2HH2 ARG 12 -1.529 -3.500 -7.816
85 H CYS 13 H CYS 13 -4.528 0.413 -2.551
86 HA CYS 13 HA CYS 13 -5.449 -1.725 -0.844
87 HB2 CYS 13 1HB CYS 13 -6.913 -0.193 -2.202
88 HB3 CYS 13 2HB CYS 13 -6.375 -1.055 -3.656
89 H LEU 14 H LEU 14 -3.635 -3.126 -0.785
90 HA LEU 14 HA LEU 14 -2.967 -4.582 -3.261
91 HB2 LEU 14 1HB LEU 14 -1.486 -3.660 -1.202
92 HB3 LEU 14 2HB LEU 14 -1.837 -5.251 -0.572
93 HG LEU 14 HG LEU 14 0.339 -5.148 -1.567
94 HD11 LEU 14 1HD1 LEU 14 -1.496 -6.824 -3.312
95 HD12 LEU 14 2HD1 LEU 14 0.247 -7.065 -3.067
96 HD13 LEU 14 3HD1 LEU 14 -0.875 -7.286 -1.710
97 HD21 LEU 14 1HD2 LEU 14 -0.983 -4.551 -4.231
98 HD22 LEU 14 2HD2 LEU 14 -0.133 -3.357 -3.220
99 HD23 LEU 14 3HD2 LEU 14 0.753 -4.738 -3.903
100 H ILE 15 H ILE 15 -4.260 -5.258 0.013
101 HA ILE 15 HA ILE 15 -5.396 -7.789 -1.075
102 HB ILE 15 HB ILE 15 -4.263 -7.404 1.728
103 HG12 ILE 15 1HG1 ILE 15 -3.176 -9.052 -0.576
104 HG13 ILE 15 2HG1 ILE 15 -2.522 -7.501 -0.064
105 HG21 ILE 15 1HG2 ILE 15 -6.178 -8.931 1.635
106 HG22 ILE 15 2HG2 ILE 15 -5.417 -9.844 0.314
107 HG23 ILE 15 3HG2 ILE 15 -4.690 -9.840 1.939
108 HD11 ILE 15 1HD1 ILE 15 -2.026 -8.466 2.175
109 HD12 ILE 15 2HD1 ILE 15 -2.507 -10.060 1.542
110 HD13 ILE 15 3HD1 ILE 15 -1.125 -9.200 0.831
111 H TRP 16 H TRP 16 -7.501 -7.548 -1.127
112 HA TRP 16 HA TRP 16 -9.579 -6.593 -0.668
113 HB2 TRP 16 1HB TRP 16 -9.206 -8.059 1.926
114 HB3 TRP 16 2HB TRP 16 -10.620 -7.974 0.872
115 HD1 TRP 16 HD1 TRP 16 -8.062 -10.329 1.854
116 HE1 TRP 16 HE1 TRP 16 -7.633 -12.193 0.163
117 HE3 TRP 16 HE3 TRP 16 -10.576 -8.294 -2.088
118 HZ2 TRP 16 HZ2 TRP 16 -8.171 -12.635 -2.593
119 HZ3 TRP 16 HZ3 TRP 16 -10.596 -9.510 -4.246
120 HH2 TRP 16 HH2 TRP 16 -9.392 -11.655 -4.493
121 H CYS 17 H CYS 17 -8.575 -4.316 -0.362
122 HA CYS 17 HA CYS 17 -8.264 -3.409 2.347
123 HB2 CYS 17 1HB CYS 17 -8.038 -1.200 1.362
124 HB3 CYS 17 2HB CYS 17 -7.098 -2.391 0.449
125 H ASP 18 H ASP 18 -9.433 -1.654 3.362
126 HA ASP 18 HA ASP 18 -12.335 -1.926 3.174
127 HB2 ASP 18 1HB ASP 18 -11.190 -1.505 5.371
128 HB3 ASP 18 2HB ASP 18 -10.669 0.076 4.772
129 HC ASP 18 HC ASP 18 -12.827 -0.007 1.788
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.305 -0.355 0.359
2 HA2 GLY 1 1HA GLY 1 3.050 -1.321 -2.126
3 HA3 GLY 1 2HA GLY 1 1.319 -0.957 -2.295
4 H SER 2 H SER 2 2.158 0.727 -3.880
5 HA SER 2 HA SER 2 2.743 3.227 -2.379
6 HB2 SER 2 1HB SER 2 4.307 2.150 -4.745
7 HB3 SER 2 2HB SER 2 4.491 3.770 -4.047
8 HG SER 2 HG SER 2 4.753 2.370 -1.990
9 H ARG 3 H ARG 3 0.914 1.766 -4.767
10 HA ARG 3 HA ARG 3 0.717 4.092 -6.518
11 HB2 ARG 3 1HB ARG 3 -0.997 1.590 -6.546
12 HB3 ARG 3 2HB ARG 3 -0.725 2.731 -7.863
13 HG2 ARG 3 1HG ARG 3 1.260 0.753 -6.694
14 HG3 ARG 3 2HG ARG 3 0.484 0.702 -8.281
15 HD2 ARG 3 1HD ARG 3 1.602 3.029 -8.628
16 HD3 ARG 3 2HD ARG 3 2.644 2.553 -7.281
17 HE ARG 3 HE ARG 3 2.654 0.398 -9.071
18 HH11 ARG 3 1HH1 ARG 3 3.649 3.791 -9.187
19 HH12 ARG 3 2HH1 ARG 3 4.870 3.469 -10.405
20 HH21 ARG 3 1HH2 ARG 3 4.229 0.074 -10.583
21 HH22 ARG 3 2HH2 ARG 3 5.207 1.412 -11.160
22 H GLY 4 H GLY 4 -2.381 3.007 -6.519
23 HA2 GLY 4 1HA GLY 4 -3.367 5.396 -5.240
24 HA3 GLY 4 2HA GLY 4 -4.341 4.026 -5.813
25 H TRP 5 H TRP 5 -5.391 4.895 -3.606
26 HA TRP 5 HA TRP 5 -3.776 4.365 -1.280
27 HB2 TRP 5 1HB TRP 5 -6.659 5.147 -1.124
28 HB3 TRP 5 2HB TRP 5 -5.292 5.685 -0.145
29 HD1 TRP 5 HD1 TRP 5 -7.556 7.031 -2.602
30 HE1 TRP 5 HE1 TRP 5 -6.643 9.066 -3.843
31 HE3 TRP 5 HE3 TRP 5 -2.630 6.412 -1.445
32 HZ2 TRP 5 HZ2 TRP 5 -4.092 10.264 -4.260
33 HZ3 TRP 5 HZ3 TRP 5 -0.984 8.037 -2.322
34 HH2 TRP 5 HH2 TRP 5 -1.715 9.949 -3.710
35 H GLY 6 H GLY 6 -4.308 3.227 0.633
36 HA2 GLY 6 1HA GLY 6 -6.633 2.086 1.348
37 HA3 GLY 6 2HA GLY 6 -5.984 0.854 0.271
38 H PHE 7 H PHE 7 -5.300 -0.777 1.414
39 HA PHE 7 HA PHE 7 -4.389 -0.559 4.169
40 HB2 PHE 7 1HB PHE 7 -5.116 -2.629 2.169
41 HB3 PHE 7 2HB PHE 7 -3.870 -3.136 3.299
42 HD1 PHE 7 HD1 PHE 7 -6.852 -0.923 3.881
43 HD2 PHE 7 HD2 PHE 7 -4.887 -4.621 4.748
44 HE1 PHE 7 HE1 PHE 7 -8.552 -1.424 5.587
45 HE2 PHE 7 HE2 PHE 7 -6.614 -5.147 6.422
46 HZ PHE 7 HZ PHE 7 -8.454 -3.551 6.848
47 H GLU 8 H GLU 8 -2.293 -2.332 4.413
48 HA GLU 8 HA GLU 8 -0.053 -2.684 4.124
49 HB2 GLU 8 1HB GLU 8 -0.590 -3.262 1.797
50 HB3 GLU 8 2HB GLU 8 -0.669 -1.569 1.350
51 HG2 GLU 8 1HG GLU 8 1.828 -1.412 2.053
52 HG3 GLU 8 2HG GLU 8 1.824 -3.178 1.981
53 HA PRO 9 HA PRO 9 1.735 1.222 5.322
54 HB2 PRO 9 1HB PRO 9 4.392 0.465 5.374
55 HB3 PRO 9 2HB PRO 9 3.231 0.038 6.672
56 HG2 PRO 9 1HG PRO 9 4.124 -1.613 4.314
57 HG3 PRO 9 2HG PRO 9 4.022 -2.079 6.041
58 HD2 PRO 9 1HD PRO 9 2.094 -2.746 4.290
59 HD3 PRO 9 2HD PRO 9 1.680 -2.256 5.969
60 H GLY 10 H GLY 10 1.954 2.854 3.937
61 HA2 GLY 10 1HA GLY 10 3.029 3.904 2.011
62 HA3 GLY 10 2HA GLY 10 3.151 2.310 1.254
63 H VAL 11 H VAL 11 0.289 1.986 2.608
64 HA VAL 11 HA VAL 11 -1.877 2.502 2.297
65 HB VAL 11 HB VAL 11 -0.958 5.153 1.124
66 HG11 VAL 11 1HG1 VAL 11 -3.530 4.257 2.491
67 HG12 VAL 11 2HG1 VAL 11 -3.124 5.942 2.090
68 HG13 VAL 11 3HG1 VAL 11 -3.331 4.756 0.792
69 HG21 VAL 11 1HG2 VAL 11 -1.230 5.986 3.475
70 HG22 VAL 11 2HG2 VAL 11 -1.387 4.299 4.015
71 HG23 VAL 11 3HG2 VAL 11 0.129 4.868 3.276
72 H ARG 12 H ARG 12 -1.871 0.769 0.835
73 HA ARG 12 HA ARG 12 -3.047 1.553 -1.735
74 HB2 ARG 12 1HB ARG 12 -0.738 1.261 -2.379
75 HB3 ARG 12 2HB ARG 12 -0.625 -0.245 -1.469
76 HG2 ARG 12 1HG ARG 12 -0.721 -0.777 -3.797
77 HG3 ARG 12 2HG ARG 12 -2.224 -1.311 -3.036
78 HD2 ARG 12 1HD ARG 12 -3.387 0.664 -3.878
79 HD3 ARG 12 2HD ARG 12 -1.887 1.266 -4.597
80 HE ARG 12 HE ARG 12 -2.241 -1.274 -5.674
81 HH11 ARG 12 1HH1 ARG 12 -4.197 1.664 -5.617
82 HH12 ARG 12 2HH1 ARG 12 -4.958 1.284 -7.157
83 HH21 ARG 12 1HH2 ARG 12 -3.265 -1.699 -7.589
84 HH22 ARG 12 2HH2 ARG 12 -4.440 -0.572 -8.247
85 H CYS 13 H CYS 13 -4.876 0.436 -2.006
86 HA CYS 13 HA CYS 13 -5.518 -1.928 -0.486
87 HB2 CYS 13 1HB CYS 13 -7.198 -0.358 -1.501
88 HB3 CYS 13 2HB CYS 13 -6.722 -0.953 -3.102
89 H LEU 14 H LEU 14 -4.059 -3.544 -0.676
90 HA LEU 14 HA LEU 14 -3.319 -4.446 -3.413
91 HB2 LEU 14 1HB LEU 14 -1.701 -3.640 -1.486
92 HB3 LEU 14 2HB LEU 14 -1.946 -5.246 -0.852
93 HG LEU 14 HG LEU 14 0.139 -5.033 -2.022
94 HD11 LEU 14 1HD1 LEU 14 0.015 -6.949 -3.520
95 HD12 LEU 14 2HD1 LEU 14 -0.959 -7.224 -2.063
96 HD13 LEU 14 3HD1 LEU 14 -1.754 -6.802 -3.599
97 HD21 LEU 14 1HD2 LEU 14 -1.443 -4.490 -4.555
98 HD22 LEU 14 2HD2 LEU 14 -0.536 -3.272 -3.623
99 HD23 LEU 14 3HD2 LEU 14 0.323 -4.621 -4.395
100 H ILE 15 H ILE 15 -4.160 -5.692 -0.154
101 HA ILE 15 HA ILE 15 -5.347 -8.080 -1.495
102 HB ILE 15 HB ILE 15 -4.138 -7.975 1.304
103 HG12 ILE 15 1HG1 ILE 15 -3.073 -9.312 -1.203
104 HG13 ILE 15 2HG1 ILE 15 -2.440 -7.824 -0.510
105 HG21 ILE 15 1HG2 ILE 15 -6.028 -9.530 1.072
106 HG22 ILE 15 2HG2 ILE 15 -5.259 -10.282 -0.342
107 HG23 ILE 15 3HG2 ILE 15 -4.513 -10.423 1.267
108 HD11 ILE 15 1HD1 ILE 15 -1.877 -9.060 1.579
109 HD12 ILE 15 2HD1 ILE 15 -2.339 -10.569 0.752
110 HD13 ILE 15 3HD1 ILE 15 -0.989 -9.593 0.134
111 H TRP 16 H TRP 16 -7.450 -7.996 -1.382
112 HA TRP 16 HA TRP 16 -9.432 -6.797 -0.872
113 HB2 TRP 16 1HB TRP 16 -9.608 -8.603 1.453
114 HB3 TRP 16 2HB TRP 16 -10.650 -8.427 0.044
115 HD1 TRP 16 HD1 TRP 16 -8.294 -10.782 1.560
116 HE1 TRP 16 HE1 TRP 16 -7.525 -12.612 -0.046
117 HE3 TRP 16 HE3 TRP 16 -9.971 -8.671 -2.769
118 HZ2 TRP 16 HZ2 TRP 16 -7.537 -13.025 -2.859
119 HZ3 TRP 16 HZ3 TRP 16 -9.563 -9.851 -4.907
120 HH2 TRP 16 HH2 TRP 16 -8.351 -12.006 -4.945
121 H CYS 17 H CYS 17 -8.752 -4.675 -0.237
122 HA CYS 17 HA CYS 17 -8.231 -4.156 2.557
123 HB2 CYS 17 1HB CYS 17 -8.286 -1.796 1.884
124 HB3 CYS 17 2HB CYS 17 -7.251 -2.777 0.836
125 H ASP 18 H ASP 18 -9.431 -2.749 3.925
126 HA ASP 18 HA ASP 18 -11.477 -2.826 5.193
127 HB2 ASP 18 1HB ASP 18 -10.771 -0.531 4.399
128 HB3 ASP 18 2HB ASP 18 -11.867 -0.717 3.027
129 HC ASP 18 HC ASP 18 -13.000 -3.358 2.567
Start of MODEL 4
1 H1 GLY 1 H GLY 1 2.103 -0.252 0.243
2 HA2 GLY 1 1HA GLY 1 2.972 -1.435 -2.172
3 HA3 GLY 1 2HA GLY 1 1.276 -0.936 -2.393
4 H SER 2 H SER 2 2.122 0.712 -3.940
5 HA SER 2 HA SER 2 2.921 3.132 -2.407
6 HB2 SER 2 1HB SER 2 4.871 1.875 -3.556
7 HB3 SER 2 2HB SER 2 4.192 2.511 -5.068
8 HG SER 2 HG SER 2 4.264 4.618 -3.907
9 H ARG 3 H ARG 3 1.002 1.752 -4.839
10 HA ARG 3 HA ARG 3 0.730 4.141 -6.461
11 HB2 ARG 3 1HB ARG 3 -1.023 1.675 -6.566
12 HB3 ARG 3 2HB ARG 3 -0.684 2.834 -7.852
13 HG2 ARG 3 1HG ARG 3 1.193 0.747 -6.695
14 HG3 ARG 3 2HG ARG 3 0.456 0.778 -8.299
15 HD2 ARG 3 1HD ARG 3 1.689 3.080 -8.519
16 HD3 ARG 3 2HD ARG 3 2.694 2.466 -7.200
17 HE ARG 3 HE ARG 3 2.620 0.413 -9.081
18 HH11 ARG 3 1HH1 ARG 3 3.695 3.783 -9.108
19 HH12 ARG 3 2HH1 ARG 3 4.868 3.477 -10.377
20 HH21 ARG 3 1HH2 ARG 3 4.140 0.109 -10.656
21 HH22 ARG 3 2HH2 ARG 3 5.137 1.444 -11.210
22 H GLY 4 H GLY 4 -2.361 3.109 -6.512
23 HA2 GLY 4 1HA GLY 4 -3.317 5.474 -5.186
24 HA3 GLY 4 2HA GLY 4 -4.308 4.131 -5.790
25 H TRP 5 H TRP 5 -5.361 5.004 -3.579
26 HA TRP 5 HA TRP 5 -3.803 4.425 -1.239
27 HB2 TRP 5 1HB TRP 5 -6.701 5.159 -1.127
28 HB3 TRP 5 2HB TRP 5 -5.361 5.701 -0.114
29 HD1 TRP 5 HD1 TRP 5 -7.609 7.076 -2.544
30 HE1 TRP 5 HE1 TRP 5 -6.714 9.150 -3.733
31 HE3 TRP 5 HE3 TRP 5 -2.676 6.475 -1.399
32 HZ2 TRP 5 HZ2 TRP 5 -4.176 10.388 -4.108
33 HZ3 TRP 5 HZ3 TRP 5 -1.046 8.138 -2.234
34 HH2 TRP 5 HH2 TRP 5 -1.797 10.081 -3.566
35 H GLY 6 H GLY 6 -4.347 3.260 0.645
36 HA2 GLY 6 1HA GLY 6 -6.662 2.099 1.339
37 HA3 GLY 6 2HA GLY 6 -6.012 0.881 0.249
38 H PHE 7 H PHE 7 -5.365 -0.761 1.412
39 HA PHE 7 HA PHE 7 -4.414 -0.555 4.146
40 HB2 PHE 7 1HB PHE 7 -5.173 -2.610 2.154
41 HB3 PHE 7 2HB PHE 7 -3.895 -3.131 3.238
42 HD1 PHE 7 HD1 PHE 7 -6.892 -0.957 3.883
43 HD2 PHE 7 HD2 PHE 7 -4.828 -4.599 4.752
44 HE1 PHE 7 HE1 PHE 7 -8.545 -1.474 5.630
45 HE2 PHE 7 HE2 PHE 7 -6.514 -5.149 6.460
46 HZ PHE 7 HZ PHE 7 -8.382 -3.589 6.905
47 H GLU 8 H GLU 8 -2.321 -2.353 4.354
48 HA GLU 8 HA GLU 8 -0.079 -2.687 4.065
49 HB2 GLU 8 1HB GLU 8 -0.588 -3.213 1.721
50 HB3 GLU 8 2HB GLU 8 -0.687 -1.511 1.311
51 HG2 GLU 8 1HG GLU 8 1.779 -1.292 1.991
52 HG3 GLU 8 2HG GLU 8 1.837 -3.059 2.011
53 HA PRO 9 HA PRO 9 1.683 1.219 5.328
54 HB2 PRO 9 1HB PRO 9 4.330 0.451 5.475
55 HB3 PRO 9 2HB PRO 9 3.126 0.022 6.732
56 HG2 PRO 9 1HG PRO 9 4.099 -1.623 4.402
57 HG3 PRO 9 2HG PRO 9 3.929 -2.095 6.121
58 HD2 PRO 9 1HD PRO 9 2.070 -2.742 4.281
59 HD3 PRO 9 2HD PRO 9 1.597 -2.287 5.953
60 H GLY 10 H GLY 10 1.890 2.818 3.891
61 HA2 GLY 10 1HA GLY 10 3.071 3.785 1.937
62 HA3 GLY 10 2HA GLY 10 3.073 2.166 1.222
63 H VAL 11 H VAL 11 0.253 1.986 2.615
64 HA VAL 11 HA VAL 11 -1.908 2.518 2.293
65 HB VAL 11 HB VAL 11 -0.979 5.162 1.118
66 HG11 VAL 11 1HG1 VAL 11 -3.128 5.961 2.110
67 HG12 VAL 11 2HG1 VAL 11 -3.361 4.769 0.823
68 HG13 VAL 11 3HG1 VAL 11 -3.532 4.280 2.528
69 HG21 VAL 11 1HG2 VAL 11 0.139 4.890 3.249
70 HG22 VAL 11 2HG2 VAL 11 -1.225 5.997 3.476
71 HG23 VAL 11 3HG2 VAL 11 -1.359 4.307 4.015
72 H ARG 12 H ARG 12 -1.883 0.785 0.818
73 HA ARG 12 HA ARG 12 -3.080 1.583 -1.733
74 HB2 ARG 12 1HB ARG 12 -0.772 1.323 -2.411
75 HB3 ARG 12 2HB ARG 12 -0.635 -0.191 -1.519
76 HG2 ARG 12 1HG ARG 12 -0.754 -0.700 -3.854
77 HG3 ARG 12 2HG ARG 12 -2.239 -1.261 -3.080
78 HD2 ARG 12 1HD ARG 12 -3.434 0.718 -3.885
79 HD3 ARG 12 2HD ARG 12 -1.950 1.333 -4.624
80 HE ARG 12 HE ARG 12 -2.315 -1.202 -5.712
81 HH11 ARG 12 1HH1 ARG 12 -4.265 1.742 -5.613
82 HH12 ARG 12 2HH1 ARG 12 -5.041 1.373 -7.147
83 HH21 ARG 12 1HH2 ARG 12 -3.366 -1.611 -7.615
84 HH22 ARG 12 2HH2 ARG 12 -4.545 -0.476 -8.251
85 H CYS 13 H CYS 13 -4.911 0.474 -1.960
86 HA CYS 13 HA CYS 13 -5.535 -1.927 -0.521
87 HB2 CYS 13 1HB CYS 13 -7.223 -0.396 -1.562
88 HB3 CYS 13 2HB CYS 13 -6.673 -0.929 -3.160
89 H LEU 14 H LEU 14 -4.160 -3.602 -0.685
90 HA LEU 14 HA LEU 14 -3.348 -4.478 -3.417
91 HB2 LEU 14 1HB LEU 14 -1.732 -3.627 -1.493
92 HB3 LEU 14 2HB LEU 14 -1.939 -5.244 -0.870
93 HG LEU 14 HG LEU 14 0.126 -5.007 -2.051
94 HD11 LEU 14 1HD1 LEU 14 0.002 -6.887 -3.594
95 HD12 LEU 14 2HD1 LEU 14 -0.969 -7.201 -2.143
96 HD13 LEU 14 3HD1 LEU 14 -1.768 -6.742 -3.667
97 HD21 LEU 14 1HD2 LEU 14 -0.555 -3.209 -3.605
98 HD22 LEU 14 2HD2 LEU 14 0.295 -4.540 -4.418
99 HD23 LEU 14 3HD2 LEU 14 -1.471 -4.402 -4.560
100 H ILE 15 H ILE 15 -4.150 -5.689 -0.130
101 HA ILE 15 HA ILE 15 -5.328 -8.094 -1.444
102 HB ILE 15 HB ILE 15 -4.046 -7.992 1.320
103 HG12 ILE 15 1HG1 ILE 15 -3.036 -9.291 -1.232
104 HG13 ILE 15 2HG1 ILE 15 -2.400 -7.803 -0.538
105 HG21 ILE 15 1HG2 ILE 15 -5.920 -9.572 1.127
106 HG22 ILE 15 2HG2 ILE 15 -5.184 -10.298 -0.319
107 HG23 ILE 15 3HG2 ILE 15 -4.388 -10.447 1.267
108 HD11 ILE 15 1HD1 ILE 15 -1.767 -9.056 1.518
109 HD12 ILE 15 2HD1 ILE 15 -2.230 -10.560 0.684
110 HD13 ILE 15 3HD1 ILE 15 -0.911 -9.557 0.043
111 H TRP 16 H TRP 16 -7.423 -8.007 -1.309
112 HA TRP 16 HA TRP 16 -9.451 -6.982 -0.730
113 HB2 TRP 16 1HB TRP 16 -9.274 -8.711 1.688
114 HB3 TRP 16 2HB TRP 16 -10.537 -8.572 0.467
115 HD1 TRP 16 HD1 TRP 16 -8.030 -10.921 1.613
116 HE1 TRP 16 HE1 TRP 16 -7.386 -12.688 -0.115
117 HE3 TRP 16 HE3 TRP 16 -10.123 -8.703 -2.475
118 HZ2 TRP 16 HZ2 TRP 16 -7.625 -12.997 -2.931
119 HZ3 TRP 16 HZ3 TRP 16 -9.872 -9.795 -4.682
120 HH2 TRP 16 HH2 TRP 16 -8.626 -11.919 -4.904
121 H CYS 17 H CYS 17 -8.685 -4.791 -0.244
122 HA CYS 17 HA CYS 17 -8.204 -4.087 2.518
123 HB2 CYS 17 1HB CYS 17 -8.259 -1.782 1.678
124 HB3 CYS 17 2HB CYS 17 -7.230 -2.826 0.682
125 H ASP 18 H ASP 18 -9.455 -2.525 3.751
126 HA ASP 18 HA ASP 18 -12.362 -2.896 3.554
127 HB2 ASP 18 1HB ASP 18 -11.232 -2.725 5.795
128 HB3 ASP 18 2HB ASP 18 -10.764 -1.063 5.402
129 HC ASP 18 HC ASP 18 -12.932 -0.780 2.510
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.341 -0.243 0.380
2 HA2 GLY 1 1HA GLY 1 2.922 -1.231 -2.158
3 HA3 GLY 1 2HA GLY 1 1.232 -0.696 -2.240
4 H SER 2 H SER 2 1.981 0.969 -3.778
5 HA SER 2 HA SER 2 2.881 3.362 -2.291
6 HB2 SER 2 1HB SER 2 4.835 2.027 -3.354
7 HB3 SER 2 2HB SER 2 4.227 2.659 -4.896
8 HG SER 2 HG SER 2 4.340 4.783 -3.808
9 H ARG 3 H ARG 3 1.077 1.985 -4.862
10 HA ARG 3 HA ARG 3 0.820 4.486 -6.341
11 HB2 ARG 3 1HB ARG 3 -0.718 1.906 -6.765
12 HB3 ARG 3 2HB ARG 3 -0.457 3.214 -7.921
13 HG2 ARG 3 1HG ARG 3 1.580 1.219 -6.880
14 HG3 ARG 3 2HG ARG 3 0.906 1.336 -8.507
15 HD2 ARG 3 1HD ARG 3 1.931 3.782 -8.399
16 HD3 ARG 3 2HD ARG 3 2.951 3.064 -7.151
17 HE ARG 3 HE ARG 3 4.039 1.778 -8.752
18 HH11 ARG 3 1HH1 ARG 3 1.245 3.324 -10.280
19 HH12 ARG 3 2HH1 ARG 3 1.772 2.852 -11.887
20 HH21 ARG 3 1HH2 ARG 3 4.648 1.266 -10.809
21 HH22 ARG 3 2HH2 ARG 3 3.652 1.724 -12.180
22 H GLY 4 H GLY 4 -2.185 3.010 -6.494
23 HA2 GLY 4 1HA GLY 4 -3.474 5.279 -5.283
24 HA3 GLY 4 2HA GLY 4 -4.263 3.783 -5.832
25 H TRP 5 H TRP 5 -5.426 4.618 -3.648
26 HA TRP 5 HA TRP 5 -3.781 4.116 -1.298
27 HB2 TRP 5 1HB TRP 5 -6.613 5.082 -1.174
28 HB3 TRP 5 2HB TRP 5 -5.227 5.532 -0.182
29 HD1 TRP 5 HD1 TRP 5 -7.349 6.959 -2.752
30 HE1 TRP 5 HE1 TRP 5 -6.294 8.954 -3.944
31 HE3 TRP 5 HE3 TRP 5 -2.517 6.125 -1.377
32 HZ2 TRP 5 HZ2 TRP 5 -3.688 10.087 -4.175
33 HZ3 TRP 5 HZ3 TRP 5 -0.769 7.714 -2.121
34 HH2 TRP 5 HH2 TRP 5 -1.360 9.684 -3.495
35 H GLY 6 H GLY 6 -4.376 2.975 0.594
36 HA2 GLY 6 1HA GLY 6 -6.838 1.931 1.179
37 HA3 GLY 6 2HA GLY 6 -6.093 0.666 0.216
38 H PHE 7 H PHE 7 -4.674 -0.707 1.108
39 HA PHE 7 HA PHE 7 -4.291 -0.524 4.059
40 HB2 PHE 7 1HB PHE 7 -5.068 -2.610 2.111
41 HB3 PHE 7 2HB PHE 7 -3.819 -3.147 3.226
42 HD1 PHE 7 HD1 PHE 7 -6.762 -0.879 3.725
43 HD2 PHE 7 HD2 PHE 7 -4.821 -4.535 4.789
44 HE1 PHE 7 HE1 PHE 7 -8.452 -1.263 5.481
45 HE2 PHE 7 HE2 PHE 7 -6.543 -4.956 6.500
46 HZ PHE 7 HZ PHE 7 -8.363 -3.320 6.854
47 H GLU 8 H GLU 8 -2.257 -2.350 4.422
48 HA GLU 8 HA GLU 8 -0.009 -2.716 4.256
49 HB2 GLU 8 1HB GLU 8 -0.236 -3.537 2.049
50 HB3 GLU 8 2HB GLU 8 -0.728 -1.988 1.404
51 HG2 GLU 8 1HG GLU 8 1.759 -1.248 2.055
52 HG3 GLU 8 2HG GLU 8 2.064 -2.982 1.944
53 HA PRO 9 HA PRO 9 1.788 1.201 5.331
54 HB2 PRO 9 1HB PRO 9 4.453 0.497 5.355
55 HB3 PRO 9 2HB PRO 9 3.313 0.044 6.664
56 HG2 PRO 9 1HG PRO 9 4.219 -1.585 4.294
57 HG3 PRO 9 2HG PRO 9 4.141 -2.055 6.021
58 HD2 PRO 9 1HD PRO 9 2.213 -2.756 4.281
59 HD3 PRO 9 2HD PRO 9 1.806 -2.290 5.968
60 H GLY 10 H GLY 10 1.935 2.829 3.928
61 HA2 GLY 10 1HA GLY 10 2.960 3.930 2.019
62 HA3 GLY 10 2HA GLY 10 3.215 2.345 1.274
63 H VAL 11 H VAL 11 0.335 1.823 2.528
64 HA VAL 11 HA VAL 11 -1.840 2.256 2.210
65 HB VAL 11 HB VAL 11 -1.026 4.970 1.115
66 HG11 VAL 11 1HG1 VAL 11 -3.559 3.920 2.443
67 HG12 VAL 11 2HG1 VAL 11 -3.226 5.636 2.108
68 HG13 VAL 11 3HG1 VAL 11 -3.377 4.492 0.765
69 HG21 VAL 11 1HG2 VAL 11 -1.420 4.013 3.978
70 HG22 VAL 11 2HG2 VAL 11 0.071 4.670 3.260
71 HG23 VAL 11 3HG2 VAL 11 -1.337 5.721 3.490
72 H ARG 12 H ARG 12 -1.930 0.598 0.725
73 HA ARG 12 HA ARG 12 -3.102 1.459 -1.831
74 HB2 ARG 12 1HB ARG 12 -0.788 1.001 -2.461
75 HB3 ARG 12 2HB ARG 12 -0.830 -0.533 -1.587
76 HG2 ARG 12 1HG ARG 12 -0.980 -1.064 -3.884
77 HG3 ARG 12 2HG ARG 12 -2.573 -1.352 -3.185
78 HD2 ARG 12 1HD ARG 12 -3.284 0.900 -4.026
79 HD3 ARG 12 2HD ARG 12 -1.730 1.040 -4.851
80 HE ARG 12 HE ARG 12 -4.047 -0.557 -5.608
81 HH11 ARG 12 1HH1 ARG 12 -0.543 -0.355 -6.036
82 HH12 ARG 12 2HH1 ARG 12 -0.613 -1.221 -7.565
83 HH21 ARG 12 1HH2 ARG 12 -4.037 -1.663 -7.497
84 HH22 ARG 12 2HH2 ARG 12 -2.539 -1.962 -8.362
85 H CYS 13 H CYS 13 -4.926 0.302 -2.253
86 HA CYS 13 HA CYS 13 -5.687 -1.960 -0.613
87 HB2 CYS 13 1HB CYS 13 -7.277 -0.375 -1.768
88 HB3 CYS 13 2HB CYS 13 -6.810 -1.122 -3.307
89 H LEU 14 H LEU 14 -3.880 -3.332 -0.759
90 HA LEU 14 HA LEU 14 -3.254 -4.501 -3.396
91 HB2 LEU 14 1HB LEU 14 -1.683 -3.652 -1.411
92 HB3 LEU 14 2HB LEU 14 -1.945 -5.265 -0.801
93 HG LEU 14 HG LEU 14 0.163 -5.094 -1.900
94 HD11 LEU 14 1HD1 LEU 14 -1.021 -7.243 -2.089
95 HD12 LEU 14 2HD1 LEU 14 -1.710 -6.722 -3.644
96 HD13 LEU 14 3HD1 LEU 14 0.045 -6.939 -3.474
97 HD21 LEU 14 1HD2 LEU 14 -0.347 -3.247 -3.431
98 HD22 LEU 14 2HD2 LEU 14 0.423 -4.609 -4.270
99 HD23 LEU 14 3HD2 LEU 14 -1.327 -4.344 -4.438
100 H ILE 15 H ILE 15 -4.223 -5.569 -0.110
101 HA ILE 15 HA ILE 15 -5.396 -8.007 -1.366
102 HB ILE 15 HB ILE 15 -4.151 -7.838 1.413
103 HG12 ILE 15 1HG1 ILE 15 -3.124 -9.230 -1.081
104 HG13 ILE 15 2HG1 ILE 15 -2.470 -7.735 -0.418
105 HG21 ILE 15 1HG2 ILE 15 -6.048 -9.392 1.244
106 HG22 ILE 15 2HG2 ILE 15 -5.304 -10.177 -0.166
107 HG23 ILE 15 3HG2 ILE 15 -4.533 -10.286 1.435
108 HD11 ILE 15 1HD1 ILE 15 -2.371 -10.464 0.873
109 HD12 ILE 15 2HD1 ILE 15 -1.024 -9.493 0.243
110 HD13 ILE 15 3HD1 ILE 15 -1.905 -8.950 1.688
111 H TRP 16 H TRP 16 -7.497 -7.935 -1.217
112 HA TRP 16 HA TRP 16 -9.486 -6.755 -0.715
113 HB2 TRP 16 1HB TRP 16 -9.523 -8.463 1.706
114 HB3 TRP 16 2HB TRP 16 -10.664 -8.329 0.370
115 HD1 TRP 16 HD1 TRP 16 -8.237 -10.654 1.793
116 HE1 TRP 16 HE1 TRP 16 -7.558 -12.521 0.190
117 HE3 TRP 16 HE3 TRP 16 -10.131 -8.631 -2.488
118 HZ2 TRP 16 HZ2 TRP 16 -7.717 -12.995 -2.610
119 HZ3 TRP 16 HZ3 TRP 16 -9.839 -9.859 -4.617
120 HH2 TRP 16 HH2 TRP 16 -8.639 -12.020 -4.672
121 H CYS 17 H CYS 17 -8.765 -4.594 -0.203
122 HA CYS 17 HA CYS 17 -8.237 -3.926 2.560
123 HB2 CYS 17 1HB CYS 17 -8.279 -1.613 1.774
124 HB3 CYS 17 2HB CYS 17 -7.285 -2.640 0.734
125 H ASP 18 H ASP 18 -9.470 -2.339 3.781
126 HA ASP 18 HA ASP 18 -11.759 -2.856 4.882
127 HB2 ASP 18 1HB ASP 18 -10.671 -0.663 5.210
128 HB3 ASP 18 2HB ASP 18 -11.251 -0.114 3.633
129 HC ASP 18 HC ASP 18 -12.867 -2.135 2.102
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.147 -0.334 0.178
2 HA2 GLY 1 1HA GLY 1 3.155 -1.227 -2.256
3 HA3 GLY 1 2HA GLY 1 1.428 -0.908 -2.553
4 H SER 2 H SER 2 2.169 0.883 -3.967
5 HA SER 2 HA SER 2 2.664 3.308 -2.321
6 HB2 SER 2 1HB SER 2 4.771 2.175 -3.365
7 HB3 SER 2 2HB SER 2 4.194 2.890 -4.880
8 HG SER 2 HG SER 2 4.093 4.912 -3.592
9 H ARG 3 H ARG 3 1.139 1.904 -5.081
10 HA ARG 3 HA ARG 3 0.988 4.373 -6.564
11 HB2 ARG 3 1HB ARG 3 -0.620 1.870 -7.113
12 HB3 ARG 3 2HB ARG 3 -0.157 3.140 -8.239
13 HG2 ARG 3 1HG ARG 3 1.629 1.040 -6.968
14 HG3 ARG 3 2HG ARG 3 1.161 1.188 -8.665
15 HD2 ARG 3 1HD ARG 3 2.285 3.581 -8.389
16 HD3 ARG 3 2HD ARG 3 3.158 2.769 -7.085
17 HE ARG 3 HE ARG 3 3.506 1.002 -9.090
18 HH11 ARG 3 1HH1 ARG 3 3.889 4.523 -9.134
19 HH12 ARG 3 2HH1 ARG 3 5.085 4.448 -10.415
20 HH21 ARG 3 1HH2 ARG 3 5.034 0.999 -10.677
21 HH22 ARG 3 2HH2 ARG 3 5.736 2.503 -11.251
22 H GLY 4 H GLY 4 -1.940 2.457 -5.892
23 HA2 GLY 4 1HA GLY 4 -3.360 5.023 -5.496
24 HA3 GLY 4 2HA GLY 4 -4.107 3.422 -5.704
25 H TRP 5 H TRP 5 -5.380 4.298 -3.725
26 HA TRP 5 HA TRP 5 -3.767 4.268 -1.262
27 HB2 TRP 5 1HB TRP 5 -6.667 5.006 -1.350
28 HB3 TRP 5 2HB TRP 5 -5.371 5.636 -0.332
29 HD1 TRP 5 HD1 TRP 5 -7.447 6.684 -3.127
30 HE1 TRP 5 HE1 TRP 5 -6.486 8.679 -4.392
31 HE3 TRP 5 HE3 TRP 5 -2.662 6.360 -1.422
32 HZ2 TRP 5 HZ2 TRP 5 -3.982 10.036 -4.527
33 HZ3 TRP 5 HZ3 TRP 5 -1.009 8.053 -2.159
34 HH2 TRP 5 HH2 TRP 5 -1.673 9.875 -3.694
35 H GLY 6 H GLY 6 -4.371 3.206 0.680
36 HA2 GLY 6 1HA GLY 6 -6.700 2.164 1.431
37 HA3 GLY 6 2HA GLY 6 -6.144 0.880 0.364
38 H PHE 7 H PHE 7 -5.496 -0.777 1.507
39 HA PHE 7 HA PHE 7 -4.433 -0.574 4.210
40 HB2 PHE 7 1HB PHE 7 -5.183 -2.680 2.225
41 HB3 PHE 7 2HB PHE 7 -3.969 -3.148 3.404
42 HD1 PHE 7 HD1 PHE 7 -6.861 -0.844 4.037
43 HD2 PHE 7 HD2 PHE 7 -5.135 -4.705 4.673
44 HE1 PHE 7 HE1 PHE 7 -8.585 -1.336 5.718
45 HE2 PHE 7 HE2 PHE 7 -6.902 -5.225 6.307
46 HZ PHE 7 HZ PHE 7 -8.627 -3.536 6.848
47 H GLU 8 H GLU 8 -2.315 -2.508 4.080
48 HA GLU 8 HA GLU 8 -0.093 -2.740 3.665
49 HB2 GLU 8 1HB GLU 8 -0.907 -2.757 1.231
50 HB3 GLU 8 2HB GLU 8 -0.507 -1.046 1.164
51 HG2 GLU 8 1HG GLU 8 1.882 -1.666 1.850
52 HG3 GLU 8 2HG GLU 8 1.432 -3.361 1.640
53 HA PRO 9 HA PRO 9 1.651 1.076 5.296
54 HB2 PRO 9 1HB PRO 9 4.284 0.253 5.392
55 HB3 PRO 9 2HB PRO 9 3.071 -0.215 6.627
56 HG2 PRO 9 1HG PRO 9 4.025 -1.761 4.225
57 HG3 PRO 9 2HG PRO 9 3.820 -2.314 5.915
58 HD2 PRO 9 1HD PRO 9 1.983 -2.820 4.007
59 HD3 PRO 9 2HD PRO 9 1.495 -2.471 5.701
60 H GLY 10 H GLY 10 1.971 2.774 3.998
61 HA2 GLY 10 1HA GLY 10 3.091 3.829 2.072
62 HA3 GLY 10 2HA GLY 10 3.052 2.259 1.259
63 H VAL 11 H VAL 11 0.265 2.059 2.723
64 HA VAL 11 HA VAL 11 -1.909 2.525 2.370
65 HB VAL 11 HB VAL 11 -1.043 5.225 1.274
66 HG11 VAL 11 1HG1 VAL 11 -3.246 5.932 2.212
67 HG12 VAL 11 2HG1 VAL 11 -3.402 4.753 0.902
68 HG13 VAL 11 3HG1 VAL 11 -3.603 4.234 2.594
69 HG21 VAL 11 1HG2 VAL 11 -1.474 4.304 4.142
70 HG22 VAL 11 2HG2 VAL 11 0.028 4.939 3.429
71 HG23 VAL 11 3HG2 VAL 11 -1.370 6.006 3.636
72 H ARG 12 H ARG 12 -1.848 0.848 0.851
73 HA ARG 12 HA ARG 12 -2.996 1.667 -1.725
74 HB2 ARG 12 1HB ARG 12 -0.714 1.437 -2.407
75 HB3 ARG 12 2HB ARG 12 -0.505 -0.020 -1.438
76 HG2 ARG 12 1HG ARG 12 -0.586 -0.563 -3.799
77 HG3 ARG 12 2HG ARG 12 -1.945 -1.294 -2.939
78 HD2 ARG 12 1HD ARG 12 -3.495 -0.077 -4.064
79 HD3 ARG 12 2HD ARG 12 -2.489 1.371 -4.083
80 HE ARG 12 HE ARG 12 -1.556 0.738 -6.114
81 HH11 ARG 12 1HH1 ARG 12 -3.591 -1.948 -4.960
82 HH12 ARG 12 2HH1 ARG 12 -3.512 -2.743 -6.518
83 HH21 ARG 12 1HH2 ARG 12 -1.595 -0.306 -8.035
84 HH22 ARG 12 2HH2 ARG 12 -2.424 -1.846 -8.203
85 H CYS 13 H CYS 13 -4.896 0.550 -1.779
86 HA CYS 13 HA CYS 13 -5.393 -1.865 -0.318
87 HB2 CYS 13 1HB CYS 13 -7.181 -0.379 -1.250
88 HB3 CYS 13 2HB CYS 13 -6.695 -0.859 -2.881
89 H LEU 14 H LEU 14 -4.306 -3.720 -0.607
90 HA LEU 14 HA LEU 14 -3.446 -4.425 -3.376
91 HB2 LEU 14 1HB LEU 14 -1.757 -3.627 -1.547
92 HB3 LEU 14 2HB LEU 14 -1.995 -5.206 -0.844
93 HG LEU 14 HG LEU 14 0.053 -5.050 -2.089
94 HD11 LEU 14 1HD1 LEU 14 -1.903 -6.881 -3.512
95 HD12 LEU 14 2HD1 LEU 14 -0.132 -7.023 -3.510
96 HD13 LEU 14 3HD1 LEU 14 -1.034 -7.238 -1.999
97 HD21 LEU 14 1HD2 LEU 14 -1.610 -4.622 -4.592
98 HD22 LEU 14 2HD2 LEU 14 -0.685 -3.357 -3.746
99 HD23 LEU 14 3HD2 LEU 14 0.159 -4.736 -4.479
100 H ILE 15 H ILE 15 -4.089 -5.781 -0.111
101 HA ILE 15 HA ILE 15 -5.363 -8.123 -1.459
102 HB ILE 15 HB ILE 15 -4.162 -8.028 1.342
103 HG12 ILE 15 1HG1 ILE 15 -3.088 -9.363 -1.163
104 HG13 ILE 15 2HG1 ILE 15 -2.451 -7.882 -0.457
105 HG21 ILE 15 1HG2 ILE 15 -5.273 -10.332 -0.317
106 HG22 ILE 15 2HG2 ILE 15 -4.556 -10.468 1.307
107 HG23 ILE 15 3HG2 ILE 15 -6.064 -9.572 1.082
108 HD11 ILE 15 1HD1 ILE 15 -2.375 -10.637 0.781
109 HD12 ILE 15 2HD1 ILE 15 -1.015 -9.657 0.194
110 HD13 ILE 15 3HD1 ILE 15 -1.922 -9.139 1.633
111 H TRP 16 H TRP 16 -7.468 -8.019 -1.339
112 HA TRP 16 HA TRP 16 -9.428 -6.774 -0.817
113 HB2 TRP 16 1HB TRP 16 -9.699 -8.610 1.455
114 HB3 TRP 16 2HB TRP 16 -10.665 -8.423 -0.003
115 HD1 TRP 16 HD1 TRP 16 -8.396 -10.795 1.622
116 HE1 TRP 16 HE1 TRP 16 -7.570 -12.632 0.052
117 HE3 TRP 16 HE3 TRP 16 -9.866 -8.674 -2.777
118 HZ2 TRP 16 HZ2 TRP 16 -7.458 -13.044 -2.760
119 HZ3 TRP 16 HZ3 TRP 16 -9.363 -9.854 -4.895
120 HH2 TRP 16 HH2 TRP 16 -8.165 -12.016 -4.881
121 H CYS 17 H CYS 17 -8.746 -4.691 -0.146
122 HA CYS 17 HA CYS 17 -8.258 -4.150 2.648
123 HB2 CYS 17 1HB CYS 17 -8.486 -1.783 1.943
124 HB3 CYS 17 2HB CYS 17 -7.330 -2.715 0.984
125 H ASP 18 H ASP 18 -9.557 -2.583 3.884
126 HA ASP 18 HA ASP 18 -11.687 -3.288 5.106
127 HB2 ASP 18 1HB ASP 18 -10.794 -0.932 5.165
128 HB3 ASP 18 2HB ASP 18 -11.773 -0.562 3.740
129 HC ASP 18 HC ASP 18 -13.249 -4.082 3.326
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.472 -0.054 0.177
2 HA2 GLY 1 1HA GLY 1 3.230 -0.987 -2.257
3 HA3 GLY 1 2HA GLY 1 1.462 -1.171 -2.333
4 H SER 2 H SER 2 1.898 0.537 -4.157
5 HA SER 2 HA SER 2 1.611 3.219 -2.907
6 HB2 SER 2 1HB SER 2 3.559 2.490 -5.106
7 HB3 SER 2 2HB SER 2 3.252 4.124 -4.486
8 HG SER 2 HG SER 2 5.030 3.320 -3.411
9 H ARG 3 H ARG 3 0.066 1.205 -4.900
10 HA ARG 3 HA ARG 3 -0.600 3.163 -6.968
11 HB2 ARG 3 1HB ARG 3 -1.960 0.511 -6.390
12 HB3 ARG 3 2HB ARG 3 -2.081 1.479 -7.858
13 HG2 ARG 3 1HG ARG 3 0.331 -0.060 -6.846
14 HG3 ARG 3 2HG ARG 3 -0.664 -0.408 -8.263
15 HD2 ARG 3 1HD ARG 3 0.066 1.973 -9.053
16 HD3 ARG 3 2HD ARG 3 1.329 1.811 -7.833
17 HE ARG 3 HE ARG 3 2.388 0.171 -9.103
18 HH11 ARG 3 1HH1 ARG 3 -0.707 0.953 -10.637
19 HH12 ARG 3 2HH1 ARG 3 -0.280 0.080 -12.099
20 HH21 ARG 3 1HH2 ARG 3 2.832 -0.906 -10.969
21 HH22 ARG 3 2HH2 ARG 3 1.666 -0.950 -12.281
22 H GLY 4 H GLY 4 -3.215 1.380 -5.396
23 HA2 GLY 4 1HA GLY 4 -4.591 3.958 -5.018
24 HA3 GLY 4 2HA GLY 4 -5.299 2.339 -4.833
25 H TRP 5 H TRP 5 -6.178 3.390 -2.787
26 HA TRP 5 HA TRP 5 -4.117 3.668 -0.692
27 HB2 TRP 5 1HB TRP 5 -7.037 4.372 -0.433
28 HB3 TRP 5 2HB TRP 5 -5.659 5.019 0.463
29 HD1 TRP 5 HD1 TRP 5 -7.911 5.926 -2.276
30 HE1 TRP 5 HE1 TRP 5 -7.037 7.868 -3.680
31 HE3 TRP 5 HE3 TRP 5 -3.046 5.711 -0.815
32 HZ2 TRP 5 HZ2 TRP 5 -4.561 9.255 -3.982
33 HZ3 TRP 5 HZ3 TRP 5 -1.452 7.401 -1.684
34 HH2 TRP 5 HH2 TRP 5 -2.214 9.159 -3.249
35 H GLY 6 H GLY 6 -4.267 2.780 1.378
36 HA2 GLY 6 1HA GLY 6 -6.370 1.506 2.581
37 HA3 GLY 6 2HA GLY 6 -5.655 0.240 1.577
38 H PHE 7 H PHE 7 -4.828 -1.070 3.097
39 HA PHE 7 HA PHE 7 -3.237 -0.157 5.332
40 HB2 PHE 7 1HB PHE 7 -3.700 -2.844 4.010
41 HB3 PHE 7 2HB PHE 7 -2.632 -2.654 5.401
42 HD1 PHE 7 HD1 PHE 7 -6.140 -2.196 4.294
43 HD2 PHE 7 HD2 PHE 7 -3.460 -2.476 7.602
44 HE1 PHE 7 HE1 PHE 7 -8.066 -2.435 5.823
45 HE2 PHE 7 HE2 PHE 7 -5.373 -2.694 9.143
46 HZ PHE 7 HZ PHE 7 -7.683 -2.696 8.254
47 H GLU 8 H GLU 8 -0.993 -1.962 5.103
48 HA GLU 8 HA GLU 8 1.124 -2.105 4.293
49 HB2 GLU 8 1HB GLU 8 -0.075 -2.660 2.106
50 HB3 GLU 8 2HB GLU 8 0.040 -0.954 1.687
51 HG2 GLU 8 1HG GLU 8 2.592 -1.167 1.986
52 HG3 GLU 8 2HG GLU 8 2.349 -2.915 2.040
53 HA PRO 9 HA PRO 9 2.692 2.038 4.968
54 HB2 PRO 9 1HB PRO 9 5.371 1.490 4.566
55 HB3 PRO 9 2HB PRO 9 4.512 1.089 6.088
56 HG2 PRO 9 1HG PRO 9 5.104 -0.684 3.724
57 HG3 PRO 9 2HG PRO 9 5.355 -1.009 5.468
58 HD2 PRO 9 1HD PRO 9 3.217 -1.962 4.149
59 HD3 PRO 9 2HD PRO 9 3.068 -1.377 5.842
60 H GLY 10 H GLY 10 2.747 3.640 3.495
61 HA2 GLY 10 1HA GLY 10 3.265 4.553 1.308
62 HA3 GLY 10 2HA GLY 10 3.268 2.910 0.645
63 H VAL 11 H VAL 11 0.840 2.597 2.641
64 HA VAL 11 HA VAL 11 -1.411 2.748 2.639
65 HB VAL 11 HB VAL 11 -1.152 5.357 1.098
66 HG11 VAL 11 1HG1 VAL 11 -3.248 5.909 2.275
67 HG12 VAL 11 2HG1 VAL 11 -3.438 4.456 1.277
68 HG13 VAL 11 3HG1 VAL 11 -3.250 4.304 3.040
69 HG21 VAL 11 1HG2 VAL 11 0.309 5.523 3.026
70 HG22 VAL 11 2HG2 VAL 11 -1.178 6.423 3.368
71 HG23 VAL 11 3HG2 VAL 11 -0.934 4.813 4.084
72 H ARG 12 H ARG 12 -1.409 0.904 1.351
73 HA ARG 12 HA ARG 12 -2.958 1.217 -1.124
74 HB2 ARG 12 1HB ARG 12 -0.377 1.211 -1.589
75 HB3 ARG 12 2HB ARG 12 -0.490 -0.509 -1.221
76 HG2 ARG 12 1HG ARG 12 -1.915 0.979 -3.439
77 HG3 ARG 12 2HG ARG 12 -0.528 -0.096 -3.609
78 HD2 ARG 12 1HD ARG 12 -2.010 -1.948 -2.677
79 HD3 ARG 12 2HD ARG 12 -3.368 -0.828 -2.904
80 HE ARG 12 HE ARG 12 -1.801 -0.972 -5.296
81 HH11 ARG 12 1HH1 ARG 12 -4.117 -2.973 -3.490
82 HH12 ARG 12 2HH1 ARG 12 -4.773 -3.654 -4.963
83 HH21 ARG 12 1HH2 ARG 12 -2.563 -2.018 -7.064
84 HH22 ARG 12 2HH2 ARG 12 -3.850 -3.206 -6.920
85 H CYS 13 H CYS 13 -4.622 -0.206 -0.760
86 HA CYS 13 HA CYS 13 -4.514 -2.197 1.268
87 HB2 CYS 13 1HB CYS 13 -6.416 -1.220 -0.657
88 HB3 CYS 13 2HB CYS 13 -6.380 -2.980 -0.749
89 H LEU 14 H LEU 14 -3.560 -4.141 1.332
90 HA LEU 14 HA LEU 14 -2.375 -5.340 -1.024
91 HB2 LEU 14 1HB LEU 14 -1.951 -5.495 1.649
92 HB3 LEU 14 2HB LEU 14 -2.945 -6.922 1.444
93 HG LEU 14 HG LEU 14 -0.597 -7.444 1.517
94 HD11 LEU 14 1HD1 LEU 14 -1.639 -7.920 -1.290
95 HD12 LEU 14 2HD1 LEU 14 -0.424 -8.877 -0.416
96 HD13 LEU 14 3HD1 LEU 14 -2.109 -8.856 0.146
97 HD21 LEU 14 1HD2 LEU 14 -0.248 -5.884 -1.060
98 HD22 LEU 14 2HD2 LEU 14 0.255 -5.319 0.548
99 HD23 LEU 14 3HD2 LEU 14 0.995 -6.771 -0.155
100 H ILE 15 H ILE 15 -5.347 -5.698 0.805
101 HA ILE 15 HA ILE 15 -6.246 -8.051 -0.671
102 HB ILE 15 HB ILE 15 -8.342 -6.457 0.668
103 HG12 ILE 15 1HG1 ILE 15 -6.139 -7.677 2.361
104 HG13 ILE 15 2HG1 ILE 15 -6.409 -5.940 2.154
105 HG21 ILE 15 1HG2 ILE 15 -8.537 -8.813 -0.201
106 HG22 ILE 15 2HG2 ILE 15 -7.414 -9.327 1.075
107 HG23 ILE 15 3HG2 ILE 15 -8.996 -8.633 1.499
108 HD11 ILE 15 1HD1 ILE 15 -8.249 -7.900 3.529
109 HD12 ILE 15 2HD1 ILE 15 -7.333 -6.558 4.245
110 HD13 ILE 15 3HD1 ILE 15 -8.683 -6.216 3.142
111 H TRP 16 H TRP 16 -8.665 -7.700 -1.626
112 HA TRP 16 HA TRP 16 -8.223 -6.264 -4.020
113 HB2 TRP 16 1HB TRP 16 -11.021 -6.740 -3.638
114 HB3 TRP 16 2HB TRP 16 -9.883 -7.548 -4.712
115 HD1 TRP 16 HD1 TRP 16 -11.889 -8.109 -1.579
116 HE1 TRP 16 HE1 TRP 16 -11.510 -10.455 -0.640
117 HE3 TRP 16 HE3 TRP 16 -7.858 -9.368 -4.435
118 HZ2 TRP 16 HZ2 TRP 16 -9.657 -12.574 -1.061
119 HZ3 TRP 16 HZ3 TRP 16 -6.808 -11.587 -4.107
120 HH2 TRP 16 HH2 TRP 16 -7.704 -13.170 -2.432
121 H CYS 17 H CYS 17 -9.023 -4.887 -1.086
122 HA CYS 17 HA CYS 17 -10.845 -2.832 -1.990
123 HB2 CYS 17 1HB CYS 17 -9.747 -1.649 0.091
124 HB3 CYS 17 2HB CYS 17 -10.844 -3.012 0.300
125 H ASP 18 H ASP 18 -10.223 -0.501 -2.128
126 HA ASP 18 HA ASP 18 -8.504 -0.069 -4.280
127 HB2 ASP 18 1HB ASP 18 -10.181 1.602 -3.416
128 HB3 ASP 18 2HB ASP 18 -9.098 1.946 -2.059
129 HC ASP 18 HC ASP 18 -6.756 0.019 -1.778
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.545 -0.039 0.244
2 HA2 GLY 1 1HA GLY 1 3.304 -0.864 -2.209
3 HA3 GLY 1 2HA GLY 1 1.550 -1.127 -2.298
4 H SER 2 H SER 2 1.855 0.620 -4.096
5 HA SER 2 HA SER 2 1.319 3.226 -2.816
6 HB2 SER 2 1HB SER 2 3.545 2.771 -4.815
7 HB3 SER 2 2HB SER 2 3.011 4.346 -4.193
8 HG SER 2 HG SER 2 3.412 3.071 -2.044
9 H ARG 3 H ARG 3 0.026 1.240 -4.926
10 HA ARG 3 HA ARG 3 -0.586 3.226 -6.990
11 HB2 ARG 3 1HB ARG 3 -1.876 0.514 -6.540
12 HB3 ARG 3 2HB ARG 3 -1.994 1.525 -7.979
13 HG2 ARG 3 1HG ARG 3 0.457 0.060 -6.947
14 HG3 ARG 3 2HG ARG 3 -0.479 -0.280 -8.409
15 HD2 ARG 3 1HD ARG 3 0.134 2.183 -9.043
16 HD3 ARG 3 2HD ARG 3 1.407 1.997 -7.833
17 HE ARG 3 HE ARG 3 1.590 -0.245 -9.505
18 HH11 ARG 3 1HH1 ARG 3 1.915 3.254 -9.912
19 HH12 ARG 3 2HH1 ARG 3 3.008 3.070 -11.274
20 HH21 ARG 3 1HH2 ARG 3 2.988 -0.387 -11.213
21 HH22 ARG 3 2HH2 ARG 3 3.617 1.065 -11.978
22 H GLY 4 H GLY 4 -3.117 1.326 -5.343
23 HA2 GLY 4 1HA GLY 4 -4.635 3.847 -5.076
24 HA3 GLY 4 2HA GLY 4 -5.263 2.205 -4.828
25 H TRP 5 H TRP 5 -6.169 3.297 -2.807
26 HA TRP 5 HA TRP 5 -4.105 3.678 -0.726
27 HB2 TRP 5 1HB TRP 5 -7.047 4.331 -0.534
28 HB3 TRP 5 2HB TRP 5 -5.713 4.987 0.422
29 HD1 TRP 5 HD1 TRP 5 -7.830 5.832 -2.470
30 HE1 TRP 5 HE1 TRP 5 -6.938 7.830 -3.781
31 HE3 TRP 5 HE3 TRP 5 -3.078 5.786 -0.671
32 HZ2 TRP 5 HZ2 TRP 5 -4.525 9.360 -3.834
33 HZ3 TRP 5 HZ3 TRP 5 -1.511 7.583 -1.357
34 HH2 TRP 5 HH2 TRP 5 -2.243 9.358 -2.917
35 H GLY 6 H GLY 6 -4.263 2.826 1.378
36 HA2 GLY 6 1HA GLY 6 -6.296 1.495 2.603
37 HA3 GLY 6 2HA GLY 6 -5.595 0.245 1.570
38 H PHE 7 H PHE 7 -4.942 -1.008 3.341
39 HA PHE 7 HA PHE 7 -3.123 -0.146 5.359
40 HB2 PHE 7 1HB PHE 7 -3.384 -2.882 4.058
41 HB3 PHE 7 2HB PHE 7 -2.735 -2.532 5.665
42 HD1 PHE 7 HD1 PHE 7 -5.485 -3.866 4.098
43 HD2 PHE 7 HD2 PHE 7 -4.531 -0.919 7.037
44 HE1 PHE 7 HE1 PHE 7 -7.722 -4.142 5.096
45 HE2 PHE 7 HE2 PHE 7 -6.744 -1.237 8.085
46 HZ PHE 7 HZ PHE 7 -8.348 -2.852 7.112
47 H GLU 8 H GLU 8 -0.956 -1.958 5.133
48 HA GLU 8 HA GLU 8 1.159 -2.130 4.320
49 HB2 GLU 8 1HB GLU 8 -0.009 -2.727 2.133
50 HB3 GLU 8 2HB GLU 8 0.068 -1.025 1.694
51 HG2 GLU 8 1HG GLU 8 2.631 -1.195 2.023
52 HG3 GLU 8 2HG GLU 8 2.404 -2.946 2.025
53 HA PRO 9 HA PRO 9 2.701 2.023 4.977
54 HB2 PRO 9 1HB PRO 9 5.384 1.504 4.548
55 HB3 PRO 9 2HB PRO 9 4.544 1.096 6.078
56 HG2 PRO 9 1HG PRO 9 5.134 -0.674 3.712
57 HG3 PRO 9 2HG PRO 9 5.400 -0.994 5.453
58 HD2 PRO 9 1HD PRO 9 3.261 -1.971 4.155
59 HD3 PRO 9 2HD PRO 9 3.118 -1.381 5.846
60 H GLY 10 H GLY 10 2.792 3.649 3.519
61 HA2 GLY 10 1HA GLY 10 3.274 4.586 1.349
62 HA3 GLY 10 2HA GLY 10 3.318 2.953 0.666
63 H VAL 11 H VAL 11 0.858 2.592 2.636
64 HA VAL 11 HA VAL 11 -1.390 2.751 2.626
65 HB VAL 11 HB VAL 11 -1.124 5.346 1.064
66 HG11 VAL 11 1HG1 VAL 11 -3.415 4.449 1.262
67 HG12 VAL 11 2HG1 VAL 11 -3.220 4.326 3.027
68 HG13 VAL 11 3HG1 VAL 11 -3.215 5.918 2.234
69 HG21 VAL 11 1HG2 VAL 11 -0.901 4.831 4.054
70 HG22 VAL 11 2HG2 VAL 11 0.341 5.527 2.985
71 HG23 VAL 11 3HG2 VAL 11 -1.143 6.433 3.321
72 H ARG 12 H ARG 12 -1.402 0.890 1.343
73 HA ARG 12 HA ARG 12 -2.960 1.212 -1.122
74 HB2 ARG 12 1HB ARG 12 -0.373 1.183 -1.595
75 HB3 ARG 12 2HB ARG 12 -0.515 -0.541 -1.259
76 HG2 ARG 12 1HG ARG 12 -1.909 1.022 -3.443
77 HG3 ARG 12 2HG ARG 12 -0.572 -0.113 -3.635
78 HD2 ARG 12 1HD ARG 12 -2.114 -1.915 -2.742
79 HD3 ARG 12 2HD ARG 12 -3.430 -0.734 -2.875
80 HE ARG 12 HE ARG 12 -1.986 -0.862 -5.340
81 HH11 ARG 12 1HH1 ARG 12 -4.265 -2.846 -3.471
82 HH12 ARG 12 2HH1 ARG 12 -5.042 -3.439 -4.926
83 HH21 ARG 12 1HH2 ARG 12 -2.891 -1.816 -7.099
84 HH22 ARG 12 2HH2 ARG 12 -4.204 -2.971 -6.917
85 H CYS 13 H CYS 13 -4.632 -0.197 -0.731
86 HA CYS 13 HA CYS 13 -4.530 -2.208 1.266
87 HB2 CYS 13 1HB CYS 13 -6.419 -1.219 -0.672
88 HB3 CYS 13 2HB CYS 13 -6.391 -2.978 -0.761
89 H LEU 14 H LEU 14 -3.602 -4.159 1.328
90 HA LEU 14 HA LEU 14 -2.417 -5.366 -1.026
91 HB2 LEU 14 1HB LEU 14 -1.934 -5.494 1.605
92 HB3 LEU 14 2HB LEU 14 -3.007 -6.871 1.502
93 HG LEU 14 HG LEU 14 -0.681 -7.501 1.536
94 HD11 LEU 14 1HD1 LEU 14 -2.317 -8.911 0.299
95 HD12 LEU 14 2HD1 LEU 14 -1.824 -8.100 -1.206
96 HD13 LEU 14 3HD1 LEU 14 -0.647 -9.065 -0.290
97 HD21 LEU 14 1HD2 LEU 14 0.880 -7.008 -0.224
98 HD22 LEU 14 2HD2 LEU 14 -0.354 -6.124 -1.146
99 HD23 LEU 14 3HD2 LEU 14 0.230 -5.480 0.406
100 H ILE 15 H ILE 15 -5.383 -5.712 0.816
101 HA ILE 15 HA ILE 15 -6.309 -8.059 -0.648
102 HB ILE 15 HB ILE 15 -8.384 -6.409 0.667
103 HG12 ILE 15 1HG1 ILE 15 -6.220 -7.678 2.375
104 HG13 ILE 15 2HG1 ILE 15 -6.445 -5.936 2.161
105 HG21 ILE 15 1HG2 ILE 15 -8.640 -8.759 -0.192
106 HG22 ILE 15 2HG2 ILE 15 -7.530 -9.300 1.084
107 HG23 ILE 15 3HG2 ILE 15 -9.095 -8.566 1.507
108 HD11 ILE 15 1HD1 ILE 15 -8.351 -7.837 3.527
109 HD12 ILE 15 2HD1 ILE 15 -7.388 -6.534 4.253
110 HD13 ILE 15 3HD1 ILE 15 -8.721 -6.136 3.145
111 H TRP 16 H TRP 16 -8.696 -7.701 -1.648
112 HA TRP 16 HA TRP 16 -8.224 -6.244 -4.026
113 HB2 TRP 16 1HB TRP 16 -11.016 -6.744 -3.735
114 HB3 TRP 16 2HB TRP 16 -9.834 -7.567 -4.748
115 HD1 TRP 16 HD1 TRP 16 -11.947 -8.070 -1.670
116 HE1 TRP 16 HE1 TRP 16 -11.616 -10.407 -0.692
117 HE3 TRP 16 HE3 TRP 16 -7.839 -9.391 -4.382
118 HZ2 TRP 16 HZ2 TRP 16 -9.773 -12.549 -1.036
119 HZ3 TRP 16 HZ3 TRP 16 -6.819 -11.616 -3.999
120 HH2 TRP 16 HH2 TRP 16 -7.782 -13.174 -2.337
121 H CYS 17 H CYS 17 -9.017 -4.874 -1.109
122 HA CYS 17 HA CYS 17 -10.875 -2.844 -2.002
123 HB2 CYS 17 1HB CYS 17 -9.765 -1.642 0.068
124 HB3 CYS 17 2HB CYS 17 -10.865 -3.002 0.288
125 H ASP 18 H ASP 18 -10.294 -0.517 -2.175
126 HA ASP 18 HA ASP 18 -8.555 -0.072 -4.311
127 HB2 ASP 18 1HB ASP 18 -10.280 1.570 -3.527
128 HB3 ASP 18 2HB ASP 18 -9.266 1.945 -2.127
129 HC ASP 18 HC ASP 18 -6.856 0.139 -1.774
Start of MODEL 9
1 H1 GLY 1 H GLY 1 1.917 0.890 -0.462
2 HA2 GLY 1 1HA GLY 1 3.196 -1.505 -1.080
3 HA3 GLY 1 2HA GLY 1 1.533 -1.668 -1.679
4 H SER 2 H SER 2 0.750 -0.179 -3.277
5 HA SER 2 HA SER 2 2.721 1.585 -4.551
6 HB2 SER 2 1HB SER 2 3.248 -0.719 -5.380
7 HB3 SER 2 2HB SER 2 1.618 -0.797 -6.073
8 HG SER 2 HG SER 2 2.304 1.314 -7.099
9 H ARG 3 H ARG 3 -0.451 -0.026 -4.974
10 HA ARG 3 HA ARG 3 -1.306 1.782 -7.015
11 HB2 ARG 3 1HB ARG 3 -3.114 0.076 -5.300
12 HB3 ARG 3 2HB ARG 3 -3.356 0.583 -6.969
13 HG2 ARG 3 1HG ARG 3 -1.385 -1.485 -5.959
14 HG3 ARG 3 2HG ARG 3 -2.854 -1.759 -6.900
15 HD2 ARG 3 1HD ARG 3 -1.814 -0.353 -8.734
16 HD3 ARG 3 2HD ARG 3 -0.303 -0.401 -7.808
17 HE ARG 3 HE ARG 3 -1.313 -3.052 -8.145
18 HH11 ARG 3 1HH1 ARG 3 0.268 -0.500 -10.007
19 HH12 ARG 3 2HH1 ARG 3 0.983 -1.650 -11.124
20 HH21 ARG 3 1HH2 ARG 3 -0.357 -4.441 -9.575
21 HH22 ARG 3 2HH2 ARG 3 0.659 -3.832 -10.872
22 H GLY 4 H GLY 4 -4.005 2.342 -6.394
23 HA2 GLY 4 1HA GLY 4 -3.696 4.880 -5.144
24 HA3 GLY 4 2HA GLY 4 -5.241 4.067 -5.472
25 H TRP 5 H TRP 5 -5.042 5.585 -3.186
26 HA TRP 5 HA TRP 5 -3.799 4.520 -0.963
27 HB2 TRP 5 1HB TRP 5 -6.518 5.779 -0.731
28 HB3 TRP 5 2HB TRP 5 -5.106 5.972 0.314
29 HD1 TRP 5 HD1 TRP 5 -6.950 7.750 -2.317
30 HE1 TRP 5 HE1 TRP 5 -5.634 9.707 -3.301
31 HE3 TRP 5 HE3 TRP 5 -2.378 6.537 -0.434
32 HZ2 TRP 5 HZ2 TRP 5 -2.922 10.585 -3.300
33 HZ3 TRP 5 HZ3 TRP 5 -0.441 7.998 -0.950
34 HH2 TRP 5 HH2 TRP 5 -0.719 9.996 -2.379
35 H GLY 6 H GLY 6 -4.265 3.134 0.731
36 HA2 GLY 6 1HA GLY 6 -6.785 2.114 1.355
37 HA3 GLY 6 2HA GLY 6 -6.092 0.991 0.187
38 H PHE 7 H PHE 7 -5.490 -0.760 1.214
39 HA PHE 7 HA PHE 7 -4.457 -0.680 3.958
40 HB2 PHE 7 1HB PHE 7 -5.420 -2.728 2.020
41 HB3 PHE 7 2HB PHE 7 -4.197 -3.281 3.145
42 HD1 PHE 7 HD1 PHE 7 -7.073 -0.912 3.606
43 HD2 PHE 7 HD2 PHE 7 -5.171 -4.554 4.784
44 HE1 PHE 7 HE1 PHE 7 -8.792 -1.245 5.338
45 HE2 PHE 7 HE2 PHE 7 -6.876 -4.881 6.531
46 HZ PHE 7 HZ PHE 7 -8.703 -3.237 6.802
47 H GLU 8 H GLU 8 -2.561 -2.781 3.813
48 HA GLU 8 HA GLU 8 -0.349 -3.131 3.587
49 HB2 GLU 8 1HB GLU 8 -0.400 -3.436 1.309
50 HB3 GLU 8 2HB GLU 8 -0.981 -1.831 0.950
51 HG2 GLU 8 1HG GLU 8 1.854 -2.143 1.984
52 HG3 GLU 8 2HG GLU 8 1.472 -2.561 0.331
53 HA PRO 9 HA PRO 9 1.427 0.309 5.725
54 HB2 PRO 9 1HB PRO 9 4.098 -0.386 5.596
55 HB3 PRO 9 2HB PRO 9 2.932 -1.170 6.711
56 HG2 PRO 9 1HG PRO 9 3.855 -2.099 3.992
57 HG3 PRO 9 2HG PRO 9 3.772 -3.016 5.531
58 HD2 PRO 9 1HD PRO 9 1.835 -3.248 3.701
59 HD3 PRO 9 2HD PRO 9 1.423 -3.165 5.446
60 H GLY 10 H GLY 10 1.576 2.249 4.883
61 HA2 GLY 10 1HA GLY 10 2.860 3.782 3.348
62 HA3 GLY 10 2HA GLY 10 2.701 2.502 2.128
63 H VAL 11 H VAL 11 -0.061 1.978 3.469
64 HA VAL 11 HA VAL 11 -2.237 2.517 3.101
65 HB VAL 11 HB VAL 11 -1.475 5.427 2.693
66 HG11 VAL 11 1HG1 VAL 11 -3.829 4.807 2.251
67 HG12 VAL 11 2HG1 VAL 11 -3.937 4.067 3.865
68 HG13 VAL 11 3HG1 VAL 11 -3.691 5.820 3.699
69 HG21 VAL 11 1HG2 VAL 11 -0.351 4.780 4.738
70 HG22 VAL 11 2HG2 VAL 11 -1.815 5.682 5.166
71 HG23 VAL 11 3HG2 VAL 11 -1.795 3.909 5.309
72 H ARG 12 H ARG 12 -1.117 1.359 1.070
73 HA ARG 12 HA ARG 12 -2.380 2.680 -1.275
74 HB2 ARG 12 1HB ARG 12 0.355 1.408 -1.376
75 HB3 ARG 12 2HB ARG 12 -0.499 2.140 -2.719
76 HG2 ARG 12 1HG ARG 12 0.434 3.671 -0.273
77 HG3 ARG 12 2HG ARG 12 1.410 3.456 -1.723
78 HD2 ARG 12 1HD ARG 12 -1.344 4.526 -2.119
79 HD3 ARG 12 2HD ARG 12 -0.186 5.580 -1.312
80 HE ARG 12 HE ARG 12 -0.142 4.669 -4.100
81 HH11 ARG 12 1HH1 ARG 12 1.718 6.255 -1.545
82 HH12 ARG 12 2HH1 ARG 12 2.873 6.918 -2.690
83 HH21 ARG 12 1HH2 ARG 12 1.345 5.527 -5.466
84 HH22 ARG 12 2HH2 ARG 12 2.622 6.582 -4.873
85 H CYS 13 H CYS 13 -3.852 1.261 -2.010
86 HA CYS 13 HA CYS 13 -4.258 -1.195 -0.709
87 HB2 CYS 13 1HB CYS 13 -6.010 0.142 -1.874
88 HB3 CYS 13 2HB CYS 13 -5.292 -0.306 -3.423
89 H LEU 14 H LEU 14 -3.472 -3.150 -0.888
90 HA LEU 14 HA LEU 14 -2.405 -4.038 -3.519
91 HB2 LEU 14 1HB LEU 14 -0.908 -3.410 -1.215
92 HB3 LEU 14 2HB LEU 14 -0.992 -5.162 -1.227
93 HG LEU 14 HG LEU 14 1.038 -4.260 -2.231
94 HD11 LEU 14 1HD1 LEU 14 0.209 -6.466 -2.900
95 HD12 LEU 14 2HD1 LEU 14 -0.742 -5.727 -4.208
96 HD13 LEU 14 3HD1 LEU 14 1.034 -5.657 -4.250
97 HD21 LEU 14 1HD2 LEU 14 -0.648 -3.270 -4.545
98 HD22 LEU 14 2HD2 LEU 14 -0.042 -2.216 -3.250
99 HD23 LEU 14 3HD2 LEU 14 1.103 -3.087 -4.299
100 H ILE 15 H ILE 15 -3.508 -5.040 -0.255
101 HA ILE 15 HA ILE 15 -4.638 -7.480 -1.540
102 HB ILE 15 HB ILE 15 -3.514 -7.278 1.286
103 HG12 ILE 15 1HG1 ILE 15 -2.402 -8.726 -1.141
104 HG13 ILE 15 2HG1 ILE 15 -1.763 -7.218 -0.495
105 HG21 ILE 15 1HG2 ILE 15 -5.400 -8.827 1.085
106 HG22 ILE 15 2HG2 ILE 15 -4.631 -9.627 -0.304
107 HG23 ILE 15 3HG2 ILE 15 -3.898 -9.732 1.316
108 HD11 ILE 15 1HD1 ILE 15 -0.352 -8.961 0.268
109 HD12 ILE 15 2HD1 ILE 15 -1.288 -8.384 1.665
110 HD13 ILE 15 3HD1 ILE 15 -1.725 -9.916 0.866
111 H TRP 16 H TRP 16 -6.738 -7.406 -1.522
112 HA TRP 16 HA TRP 16 -8.849 -6.546 -1.072
113 HB2 TRP 16 1HB TRP 16 -8.419 -7.981 1.529
114 HB3 TRP 16 2HB TRP 16 -9.837 -7.958 0.478
115 HD1 TRP 16 HD1 TRP 16 -7.365 -10.292 1.522
116 HE1 TRP 16 HE1 TRP 16 -6.790 -12.114 -0.172
117 HE3 TRP 16 HE3 TRP 16 -9.557 -8.171 -2.567
118 HZ2 TRP 16 HZ2 TRP 16 -7.060 -12.470 -2.981
119 HZ3 TRP 16 HZ3 TRP 16 -9.350 -9.309 -4.754
120 HH2 TRP 16 HH2 TRP 16 -8.103 -11.434 -4.955
121 H CYS 17 H CYS 17 -7.899 -4.227 -0.758
122 HA CYS 17 HA CYS 17 -7.935 -3.266 1.969
123 HB2 CYS 17 1HB CYS 17 -7.772 -1.039 0.921
124 HB3 CYS 17 2HB CYS 17 -6.566 -2.184 0.307
125 H ASP 18 H ASP 18 -9.318 -1.594 2.805
126 HA ASP 18 HA ASP 18 -12.154 -2.044 2.235
127 HB2 ASP 18 1HB ASP 18 -11.319 -1.643 4.577
128 HB3 ASP 18 2HB ASP 18 -10.842 -0.009 4.098
129 HC ASP 18 HC ASP 18 -12.595 -0.078 0.892
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.712 0.632 -0.719
2 HA2 GLY 1 1HA GLY 1 3.076 -1.779 -1.077
3 HA3 GLY 1 2HA GLY 1 1.403 -2.058 -1.609
4 H SER 2 H SER 2 0.506 -0.407 -3.169
5 HA SER 2 HA SER 2 2.494 1.095 -4.696
6 HB2 SER 2 1HB SER 2 2.811 -1.208 -5.515
7 HB3 SER 2 2HB SER 2 1.100 -1.280 -5.970
8 HG SER 2 HG SER 2 2.884 0.707 -6.934
9 H ARG 3 H ARG 3 -0.829 -0.249 -4.924
10 HA ARG 3 HA ARG 3 -1.573 1.677 -6.923
11 HB2 ARG 3 1HB ARG 3 -3.463 -0.017 -5.276
12 HB3 ARG 3 2HB ARG 3 -3.688 0.583 -6.918
13 HG2 ARG 3 1HG ARG 3 -1.808 -1.618 -6.012
14 HG3 ARG 3 2HG ARG 3 -3.271 -1.778 -6.987
15 HD2 ARG 3 1HD ARG 3 -2.140 -0.318 -8.725
16 HD3 ARG 3 2HD ARG 3 -0.655 -0.462 -7.771
17 HE ARG 3 HE ARG 3 -1.735 -3.057 -8.283
18 HH11 ARG 3 1HH1 ARG 3 0.015 -0.467 -9.938
19 HH12 ARG 3 2HH1 ARG 3 0.720 -1.581 -11.095
20 HH21 ARG 3 1HH2 ARG 3 -0.788 -4.392 -9.765
21 HH22 ARG 3 2HH2 ARG 3 0.301 -3.750 -10.984
22 H GLY 4 H GLY 4 -4.149 2.470 -6.347
23 HA2 GLY 4 1HA GLY 4 -3.650 4.894 -4.973
24 HA3 GLY 4 2HA GLY 4 -5.255 4.246 -5.369
25 H TRP 5 H TRP 5 -5.020 5.676 -3.073
26 HA TRP 5 HA TRP 5 -3.910 4.626 -0.822
27 HB2 TRP 5 1HB TRP 5 -6.669 5.822 -0.723
28 HB3 TRP 5 2HB TRP 5 -5.343 6.011 0.425
29 HD1 TRP 5 HD1 TRP 5 -6.983 7.773 -2.376
30 HE1 TRP 5 HE1 TRP 5 -5.652 9.814 -3.144
31 HE3 TRP 5 HE3 TRP 5 -2.588 6.660 -0.054
32 HZ2 TRP 5 HZ2 TRP 5 -3.035 10.858 -2.713
33 HZ3 TRP 5 HZ3 TRP 5 -0.708 8.267 -0.214
34 HH2 TRP 5 HH2 TRP 5 -0.940 10.347 -1.531
35 H GLY 6 H GLY 6 -4.308 3.166 0.786
36 HA2 GLY 6 1HA GLY 6 -6.798 2.045 1.395
37 HA3 GLY 6 2HA GLY 6 -6.072 0.994 0.179
38 H PHE 7 H PHE 7 -5.639 -0.782 1.279
39 HA PHE 7 HA PHE 7 -4.470 -0.759 3.955
40 HB2 PHE 7 1HB PHE 7 -5.440 -2.789 1.969
41 HB3 PHE 7 2HB PHE 7 -4.283 -3.331 3.173
42 HD1 PHE 7 HD1 PHE 7 -7.091 -0.862 3.565
43 HD2 PHE 7 HD2 PHE 7 -5.438 -4.652 4.651
44 HE1 PHE 7 HE1 PHE 7 -8.916 -1.192 5.179
45 HE2 PHE 7 HE2 PHE 7 -7.251 -4.977 6.284
46 HZ PHE 7 HZ PHE 7 -9.009 -3.255 6.541
47 H GLU 8 H GLU 8 -2.600 -2.721 3.919
48 HA GLU 8 HA GLU 8 -0.404 -3.108 3.693
49 HB2 GLU 8 1HB GLU 8 -0.369 -3.537 1.444
50 HB3 GLU 8 2HB GLU 8 -0.969 -1.968 0.970
51 HG2 GLU 8 1HG GLU 8 1.817 -2.105 2.143
52 HG3 GLU 8 2HG GLU 8 1.546 -2.705 0.525
53 HA PRO 9 HA PRO 9 1.254 0.402 5.761
54 HB2 PRO 9 1HB PRO 9 3.921 -0.313 5.822
55 HB3 PRO 9 2HB PRO 9 2.683 -1.050 6.891
56 HG2 PRO 9 1HG PRO 9 3.768 -2.079 4.271
57 HG3 PRO 9 2HG PRO 9 3.580 -2.943 5.831
58 HD2 PRO 9 1HD PRO 9 1.769 -3.219 3.880
59 HD3 PRO 9 2HD PRO 9 1.244 -3.093 5.592
60 H GLY 10 H GLY 10 1.547 2.317 4.915
61 HA2 GLY 10 1HA GLY 10 2.879 3.788 3.374
62 HA3 GLY 10 2HA GLY 10 2.716 2.490 2.172
63 H VAL 11 H VAL 11 -0.053 2.010 3.443
64 HA VAL 11 HA VAL 11 -2.219 2.563 3.044
65 HB VAL 11 HB VAL 11 -1.453 5.479 2.704
66 HG11 VAL 11 1HG1 VAL 11 -3.806 4.872 2.273
67 HG12 VAL 11 2HG1 VAL 11 -3.898 4.072 3.858
68 HG13 VAL 11 3HG1 VAL 11 -3.664 5.831 3.756
69 HG21 VAL 11 1HG2 VAL 11 -0.304 4.805 4.723
70 HG22 VAL 11 2HG2 VAL 11 -1.773 5.679 5.188
71 HG23 VAL 11 3HG2 VAL 11 -1.730 3.903 5.292
72 H ARG 12 H ARG 12 -0.936 1.507 1.017
73 HA ARG 12 HA ARG 12 -2.162 2.822 -1.363
74 HB2 ARG 12 1HB ARG 12 0.667 1.755 -1.167
75 HB3 ARG 12 2HB ARG 12 -0.129 2.161 -2.684
76 HG2 ARG 12 1HG ARG 12 0.300 4.192 -0.472
77 HG3 ARG 12 2HG ARG 12 1.519 3.831 -1.701
78 HD2 ARG 12 1HD ARG 12 -0.163 4.355 -3.464
79 HD3 ARG 12 2HD ARG 12 -1.273 4.897 -2.189
80 HE ARG 12 HE ARG 12 1.192 6.236 -1.835
81 HH11 ARG 12 1HH1 ARG 12 -1.394 6.144 -4.226
82 HH12 ARG 12 2HH1 ARG 12 -1.113 7.808 -4.724
83 HH21 ARG 12 1HH2 ARG 12 1.534 8.301 -2.547
84 HH22 ARG 12 2HH2 ARG 12 0.536 8.991 -3.819
85 H CYS 13 H CYS 13 -3.623 1.385 -2.037
86 HA CYS 13 HA CYS 13 -3.938 -1.049 -0.691
87 HB2 CYS 13 1HB CYS 13 -5.752 0.215 -1.808
88 HB3 CYS 13 2HB CYS 13 -5.063 -0.193 -3.381
89 H LEU 14 H LEU 14 -3.236 -3.049 -0.890
90 HA LEU 14 HA LEU 14 -2.197 -3.946 -3.523
91 HB2 LEU 14 1HB LEU 14 -0.546 -3.259 -1.503
92 HB3 LEU 14 2HB LEU 14 -0.871 -4.910 -1.020
93 HG LEU 14 HG LEU 14 1.218 -4.644 -2.223
94 HD11 LEU 14 1HD1 LEU 14 0.986 -6.501 -3.777
95 HD12 LEU 14 2HD1 LEU 14 0.015 -6.797 -2.319
96 HD13 LEU 14 3HD1 LEU 14 -0.776 -6.279 -3.825
97 HD21 LEU 14 1HD2 LEU 14 0.425 -2.789 -3.738
98 HD22 LEU 14 2HD2 LEU 14 1.388 -4.059 -4.525
99 HD23 LEU 14 3HD2 LEU 14 -0.377 -4.031 -4.726
100 H ILE 15 H ILE 15 -3.299 -4.925 -0.250
101 HA ILE 15 HA ILE 15 -4.453 -7.365 -1.520
102 HB ILE 15 HB ILE 15 -3.398 -7.120 1.328
103 HG12 ILE 15 1HG1 ILE 15 -2.229 -8.607 -1.048
104 HG13 ILE 15 2HG1 ILE 15 -1.605 -7.091 -0.410
105 HG21 ILE 15 1HG2 ILE 15 -3.790 -9.573 1.385
106 HG22 ILE 15 2HG2 ILE 15 -5.283 -8.668 1.102
107 HG23 ILE 15 3HG2 ILE 15 -4.480 -9.491 -0.254
108 HD11 ILE 15 1HD1 ILE 15 -0.213 -8.818 0.415
109 HD12 ILE 15 2HD1 ILE 15 -1.186 -8.228 1.780
110 HD13 ILE 15 3HD1 ILE 15 -1.600 -9.769 0.988
111 H TRP 16 H TRP 16 -6.547 -7.297 -1.558
112 HA TRP 16 HA TRP 16 -8.679 -6.477 -1.154
113 HB2 TRP 16 1HB TRP 16 -8.206 -7.886 1.464
114 HB3 TRP 16 2HB TRP 16 -9.663 -7.847 0.465
115 HD1 TRP 16 HD1 TRP 16 -7.135 -10.197 1.382
116 HE1 TRP 16 HE1 TRP 16 -6.649 -12.007 -0.353
117 HE3 TRP 16 HE3 TRP 16 -9.569 -8.066 -2.562
118 HZ2 TRP 16 HZ2 TRP 16 -7.077 -12.348 -3.143
119 HZ3 TRP 16 HZ3 TRP 16 -9.504 -9.204 -4.758
120 HH2 TRP 16 HH2 TRP 16 -8.254 -11.318 -5.045
121 H CYS 17 H CYS 17 -7.736 -4.127 -0.839
122 HA CYS 17 HA CYS 17 -7.993 -3.121 1.861
123 HB2 CYS 17 1HB CYS 17 -7.874 -0.898 0.763
124 HB3 CYS 17 2HB CYS 17 -6.550 -1.993 0.330
125 H ASP 18 H ASP 18 -9.495 -1.494 2.574
126 HA ASP 18 HA ASP 18 -12.241 -2.230 2.115
127 HB2 ASP 18 1HB ASP 18 -11.410 -1.245 4.276
128 HB3 ASP 18 2HB ASP 18 -11.141 0.292 3.443
129 HC ASP 18 HC ASP 18 -12.879 -0.743 0.325
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.431 -2.192 -0.365
2 HA2 GLY 1 1HA GLY 1 1.386 -1.629 -2.368
3 HA3 GLY 1 2HA GLY 1 0.242 -0.634 -1.483
4 H SER 2 H SER 2 0.563 0.571 -3.518
5 HA SER 2 HA SER 2 2.334 2.844 -3.023
6 HB2 SER 2 1HB SER 2 3.856 1.354 -4.209
7 HB3 SER 2 2HB SER 2 2.651 1.088 -5.482
8 HG SER 2 HG SER 2 4.455 2.894 -5.552
9 H ARG 3 H ARG 3 0.176 1.233 -5.364
10 HA ARG 3 HA ARG 3 -0.356 3.601 -6.837
11 HB2 ARG 3 1HB ARG 3 -1.977 1.035 -6.745
12 HB3 ARG 3 2HB ARG 3 -1.978 2.241 -8.031
13 HG2 ARG 3 1HG ARG 3 0.310 0.399 -7.245
14 HG3 ARG 3 2HG ARG 3 -0.702 0.297 -8.690
15 HD2 ARG 3 1HD ARG 3 0.137 2.624 -9.281
16 HD3 ARG 3 2HD ARG 3 1.333 2.433 -7.995
17 HE ARG 3 HE ARG 3 1.125 0.785 -10.477
18 HH11 ARG 3 1HH1 ARG 3 3.104 1.883 -7.745
19 HH12 ARG 3 2HH1 ARG 3 4.524 1.054 -8.362
20 HH21 ARG 3 1HH2 ARG 3 2.966 -0.171 -11.189
21 HH22 ARG 3 2HH2 ARG 3 4.461 -0.041 -10.278
22 H GLY 4 H GLY 4 -2.858 1.788 -5.046
23 HA2 GLY 4 1HA GLY 4 -4.548 4.204 -5.198
24 HA3 GLY 4 2HA GLY 4 -5.065 2.567 -4.780
25 H TRP 5 H TRP 5 -5.960 2.655 -2.815
26 HA TRP 5 HA TRP 5 -4.376 3.922 -0.647
27 HB2 TRP 5 1HB TRP 5 -7.384 4.103 -0.874
28 HB3 TRP 5 2HB TRP 5 -6.330 4.941 0.273
29 HD1 TRP 5 HD1 TRP 5 -7.949 5.388 -3.046
30 HE1 TRP 5 HE1 TRP 5 -7.096 7.443 -4.283
31 HE3 TRP 5 HE3 TRP 5 -3.830 6.257 -0.196
32 HZ2 TRP 5 HZ2 TRP 5 -4.980 9.340 -3.944
33 HZ3 TRP 5 HZ3 TRP 5 -2.421 8.242 -0.685
34 HH2 TRP 5 HH2 TRP 5 -3.002 9.765 -2.544
35 H GLY 6 H GLY 6 -4.408 2.920 1.363
36 HA2 GLY 6 1HA GLY 6 -6.344 1.487 2.580
37 HA3 GLY 6 2HA GLY 6 -5.682 0.285 1.472
38 H PHE 7 H PHE 7 -5.087 -1.027 3.190
39 HA PHE 7 HA PHE 7 -3.293 -0.168 5.274
40 HB2 PHE 7 1HB PHE 7 -4.274 -2.817 4.217
41 HB3 PHE 7 2HB PHE 7 -2.977 -2.763 5.410
42 HD1 PHE 7 HD1 PHE 7 -6.442 -1.499 4.848
43 HD2 PHE 7 HD2 PHE 7 -3.455 -2.617 7.685
44 HE1 PHE 7 HE1 PHE 7 -8.103 -1.299 6.665
45 HE2 PHE 7 HE2 PHE 7 -5.098 -2.399 9.509
46 HZ PHE 7 HZ PHE 7 -7.428 -1.734 9.005
47 H GLU 8 H GLU 8 -1.191 -1.484 5.576
48 HA GLU 8 HA GLU 8 0.937 -1.887 5.047
49 HB2 GLU 8 1HB GLU 8 0.826 -3.342 3.348
50 HB3 GLU 8 2HB GLU 8 -0.303 -2.407 2.406
51 HG2 GLU 8 1HG GLU 8 2.553 -1.399 2.551
52 HG3 GLU 8 2HG GLU 8 2.210 -2.834 1.610
53 HA PRO 9 HA PRO 9 2.465 2.224 4.771
54 HB2 PRO 9 1HB PRO 9 5.168 1.704 4.563
55 HB3 PRO 9 2HB PRO 9 4.262 1.532 6.100
56 HG2 PRO 9 1HG PRO 9 4.971 -0.591 4.077
57 HG3 PRO 9 2HG PRO 9 5.200 -0.610 5.855
58 HD2 PRO 9 1HD PRO 9 3.107 -1.838 4.711
59 HD3 PRO 9 2HD PRO 9 2.907 -0.942 6.257
60 H GLY 10 H GLY 10 2.782 3.628 3.104
61 HA2 GLY 10 1HA GLY 10 3.346 4.076 0.744
62 HA3 GLY 10 2HA GLY 10 3.024 2.360 0.404
63 H VAL 11 H VAL 11 0.819 2.386 2.397
64 HA VAL 11 HA VAL 11 -1.405 2.711 2.571
65 HB VAL 11 HB VAL 11 -1.123 5.369 1.133
66 HG11 VAL 11 1HG1 VAL 11 -3.422 4.611 1.625
67 HG12 VAL 11 2HG1 VAL 11 -2.982 4.363 3.330
68 HG13 VAL 11 3HG1 VAL 11 -2.982 6.001 2.635
69 HG21 VAL 11 1HG2 VAL 11 -0.761 6.334 3.427
70 HG22 VAL 11 2HG2 VAL 11 -0.491 4.681 4.027
71 HG23 VAL 11 3HG2 VAL 11 0.607 5.388 2.816
72 H ARG 12 H ARG 12 -1.090 0.937 0.817
73 HA ARG 12 HA ARG 12 -3.455 1.404 -0.817
74 HB2 ARG 12 1HB ARG 12 -2.200 2.033 -2.590
75 HB3 ARG 12 2HB ARG 12 -0.783 1.168 -2.043
76 HG2 ARG 12 1HG ARG 12 -1.572 0.205 -4.101
77 HG3 ARG 12 2HG ARG 12 -1.793 -0.971 -2.806
78 HD2 ARG 12 1HD ARG 12 -4.063 -0.940 -2.977
79 HD3 ARG 12 2HD ARG 12 -4.125 0.787 -3.324
80 HE ARG 12 HE ARG 12 -3.923 0.359 -5.608
81 HH11 ARG 12 1HH1 ARG 12 -3.587 -2.709 -3.839
82 HH12 ARG 12 2HH1 ARG 12 -3.720 -3.642 -5.316
83 HH21 ARG 12 1HH2 ARG 12 -4.129 -0.905 -7.386
84 HH22 ARG 12 2HH2 ARG 12 -4.029 -2.655 -7.265
85 H CYS 13 H CYS 13 -4.712 -0.263 -0.504
86 HA CYS 13 HA CYS 13 -4.026 -2.385 1.163
87 HB2 CYS 13 1HB CYS 13 -6.279 -1.564 -0.465
88 HB3 CYS 13 2HB CYS 13 -6.066 -3.307 -0.590
89 H LEU 14 H LEU 14 -2.981 -4.259 0.965
90 HA LEU 14 HA LEU 14 -2.185 -5.322 -1.645
91 HB2 LEU 14 1HB LEU 14 -1.775 -5.950 1.224
92 HB3 LEU 14 2HB LEU 14 -1.895 -7.355 0.186
93 HG LEU 14 HG LEU 14 0.407 -6.696 0.663
94 HD11 LEU 14 1HD1 LEU 14 1.263 -6.879 -1.601
95 HD12 LEU 14 2HD1 LEU 14 -0.157 -7.924 -1.401
96 HD13 LEU 14 3HD1 LEU 14 -0.306 -6.380 -2.272
97 HD21 LEU 14 1HD2 LEU 14 1.419 -4.723 -0.293
98 HD22 LEU 14 2HD2 LEU 14 -0.127 -4.225 -1.018
99 HD23 LEU 14 3HD2 LEU 14 0.062 -4.240 0.749
100 H ILE 15 H ILE 15 -4.840 -5.617 0.557
101 HA ILE 15 HA ILE 15 -5.915 -8.026 -0.733
102 HB ILE 15 HB ILE 15 -7.820 -6.477 0.887
103 HG12 ILE 15 1HG1 ILE 15 -5.364 -7.586 2.278
104 HG13 ILE 15 2HG1 ILE 15 -5.721 -5.864 2.079
105 HG21 ILE 15 1HG2 ILE 15 -8.284 -8.656 1.818
106 HG22 ILE 15 2HG2 ILE 15 -8.031 -8.857 0.077
107 HG23 ILE 15 3HG2 ILE 15 -6.740 -9.302 1.211
108 HD11 ILE 15 1HD1 ILE 15 -6.333 -6.463 4.289
109 HD12 ILE 15 2HD1 ILE 15 -7.831 -6.192 3.371
110 HD13 ILE 15 3HD1 ILE 15 -7.288 -7.851 3.727
111 H TRP 16 H TRP 16 -8.502 -7.588 -1.230
112 HA TRP 16 HA TRP 16 -8.376 -6.284 -3.731
113 HB2 TRP 16 1HB TRP 16 -11.081 -6.657 -2.693
114 HB3 TRP 16 2HB TRP 16 -10.300 -7.354 -4.111
115 HD1 TRP 16 HD1 TRP 16 -11.519 -8.262 -0.710
116 HE1 TRP 16 HE1 TRP 16 -10.869 -10.643 -0.054
117 HE3 TRP 16 HE3 TRP 16 -8.121 -9.117 -4.418
118 HZ2 TRP 16 HZ2 TRP 16 -9.074 -12.633 -1.008
119 HZ3 TRP 16 HZ3 TRP 16 -6.946 -11.294 -4.478
120 HH2 TRP 16 HH2 TRP 16 -7.427 -13.034 -2.788
121 H CYS 17 H CYS 17 -8.728 -4.739 -0.760
122 HA CYS 17 HA CYS 17 -10.671 -2.749 -1.439
123 HB2 CYS 17 1HB CYS 17 -8.919 -1.517 0.308
124 HB3 CYS 17 2HB CYS 17 -10.353 -2.442 0.747
125 H ASP 18 H ASP 18 -10.183 -0.418 -1.738
126 HA ASP 18 HA ASP 18 -9.379 0.104 -4.222
127 HB2 ASP 18 1HB ASP 18 -10.276 1.802 -2.558
128 HB3 ASP 18 2HB ASP 18 -8.624 2.011 -1.964
129 HC ASP 18 HC ASP 18 -6.959 -0.777 -3.912
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.890 0.885 -0.492
2 HA2 GLY 1 1HA GLY 1 3.135 -1.541 -1.111
3 HA3 GLY 1 2HA GLY 1 1.460 -1.665 -1.690
4 H SER 2 H SER 2 0.722 -0.226 -3.334
5 HA SER 2 HA SER 2 2.693 1.583 -4.551
6 HB2 SER 2 1HB SER 2 3.243 -0.712 -5.394
7 HB3 SER 2 2HB SER 2 1.630 -0.782 -6.122
8 HG SER 2 HG SER 2 2.332 1.333 -7.120
9 H ARG 3 H ARG 3 -0.460 -0.038 -5.042
10 HA ARG 3 HA ARG 3 -1.340 1.775 -7.059
11 HB2 ARG 3 1HB ARG 3 -3.109 0.077 -5.288
12 HB3 ARG 3 2HB ARG 3 -3.414 0.597 -6.942
13 HG2 ARG 3 1HG ARG 3 -1.402 -1.482 -6.033
14 HG3 ARG 3 2HG ARG 3 -2.912 -1.747 -6.911
15 HD2 ARG 3 1HD ARG 3 -1.931 -0.272 -8.753
16 HD3 ARG 3 2HD ARG 3 -0.382 -0.421 -7.907
17 HE ARG 3 HE ARG 3 -1.498 -3.015 -8.287
18 HH11 ARG 3 1HH1 ARG 3 0.025 -0.443 -10.171
19 HH12 ARG 3 2HH1 ARG 3 0.604 -1.569 -11.387
20 HH21 ARG 3 1HH2 ARG 3 -0.722 -4.373 -9.855
21 HH22 ARG 3 2HH2 ARG 3 0.203 -3.741 -11.207
22 H GLY 4 H GLY 4 -4.017 2.368 -6.388
23 HA2 GLY 4 1HA GLY 4 -3.663 4.898 -5.130
24 HA3 GLY 4 2HA GLY 4 -5.219 4.104 -5.448
25 H TRP 5 H TRP 5 -5.045 5.587 -3.167
26 HA TRP 5 HA TRP 5 -3.788 4.523 -0.947
27 HB2 TRP 5 1HB TRP 5 -6.512 5.773 -0.729
28 HB3 TRP 5 2HB TRP 5 -5.118 5.963 0.335
29 HD1 TRP 5 HD1 TRP 5 -6.928 7.754 -2.309
30 HE1 TRP 5 HE1 TRP 5 -5.601 9.708 -3.278
31 HE3 TRP 5 HE3 TRP 5 -2.377 6.532 -0.382
32 HZ2 TRP 5 HZ2 TRP 5 -2.889 10.584 -3.246
33 HZ3 TRP 5 HZ3 TRP 5 -0.431 7.984 -0.885
34 HH2 TRP 5 HH2 TRP 5 -0.693 9.985 -2.314
35 H GLY 6 H GLY 6 -4.254 3.133 0.740
36 HA2 GLY 6 1HA GLY 6 -6.767 2.090 1.347
37 HA3 GLY 6 2HA GLY 6 -6.061 0.976 0.179
38 H PHE 7 H PHE 7 -5.464 -0.776 1.199
39 HA PHE 7 HA PHE 7 -4.444 -0.718 3.947
40 HB2 PHE 7 1HB PHE 7 -5.362 -2.754 1.969
41 HB3 PHE 7 2HB PHE 7 -4.156 -3.304 3.115
42 HD1 PHE 7 HD1 PHE 7 -7.045 -0.946 3.571
43 HD2 PHE 7 HD2 PHE 7 -5.180 -4.629 4.685
44 HE1 PHE 7 HE1 PHE 7 -8.794 -1.316 5.262
45 HE2 PHE 7 HE2 PHE 7 -6.911 -4.987 6.401
46 HZ PHE 7 HZ PHE 7 -8.736 -3.341 6.680
47 H GLU 8 H GLU 8 -2.529 -2.766 3.837
48 HA GLU 8 HA GLU 8 -0.314 -3.106 3.625
49 HB2 GLU 8 1HB GLU 8 -0.345 -3.437 1.349
50 HB3 GLU 8 2HB GLU 8 -0.943 -1.844 0.967
51 HG2 GLU 8 1HG GLU 8 1.884 -2.110 2.032
52 HG3 GLU 8 2HG GLU 8 1.527 -2.551 0.378
53 HA PRO 9 HA PRO 9 1.409 0.339 5.771
54 HB2 PRO 9 1HB PRO 9 4.085 -0.352 5.688
55 HB3 PRO 9 2HB PRO 9 2.902 -1.134 6.787
56 HG2 PRO 9 1HG PRO 9 3.872 -2.067 4.087
57 HG3 PRO 9 2HG PRO 9 3.765 -2.982 5.625
58 HD2 PRO 9 1HD PRO 9 1.861 -3.221 3.764
59 HD3 PRO 9 2HD PRO 9 1.417 -3.133 5.501
60 H GLY 10 H GLY 10 1.568 2.280 4.921
61 HA2 GLY 10 1HA GLY 10 2.853 3.812 3.389
62 HA3 GLY 10 2HA GLY 10 2.724 2.519 2.179
63 H VAL 11 H VAL 11 -0.047 1.979 3.482
64 HA VAL 11 HA VAL 11 -2.224 2.502 3.103
65 HB VAL 11 HB VAL 11 -1.478 5.418 2.706
66 HG11 VAL 11 1HG1 VAL 11 -3.932 4.039 3.874
67 HG12 VAL 11 2HG1 VAL 11 -3.694 5.794 3.720
68 HG13 VAL 11 3HG1 VAL 11 -3.828 4.790 2.265
69 HG21 VAL 11 1HG2 VAL 11 -1.781 3.885 5.317
70 HG22 VAL 11 2HG2 VAL 11 -0.347 4.771 4.748
71 HG23 VAL 11 3HG2 VAL 11 -1.817 5.658 5.182
72 H ARG 12 H ARG 12 -1.115 1.351 1.073
73 HA ARG 12 HA ARG 12 -2.401 2.666 -1.261
74 HB2 ARG 12 1HB ARG 12 0.329 1.386 -1.405
75 HB3 ARG 12 2HB ARG 12 -0.548 2.119 -2.732
76 HG2 ARG 12 1HG ARG 12 0.444 3.644 -0.303
77 HG3 ARG 12 2HG ARG 12 1.377 3.437 -1.782
78 HD2 ARG 12 1HD ARG 12 -1.372 4.481 -2.165
79 HD3 ARG 12 2HD ARG 12 -0.273 5.537 -1.277
80 HE ARG 12 HE ARG 12 -0.112 4.739 -4.098
81 HH11 ARG 12 1HH1 ARG 12 1.628 6.262 -1.419
82 HH12 ARG 12 2HH1 ARG 12 2.781 7.026 -2.503
83 HH21 ARG 12 1HH2 ARG 12 1.381 5.706 -5.380
84 HH22 ARG 12 2HH2 ARG 12 2.615 6.758 -4.702
85 H CYS 13 H CYS 13 -3.859 1.253 -2.012
86 HA CYS 13 HA CYS 13 -4.268 -1.209 -0.716
87 HB2 CYS 13 1HB CYS 13 -6.020 0.139 -1.872
88 HB3 CYS 13 2HB CYS 13 -5.306 -0.305 -3.424
89 H LEU 14 H LEU 14 -3.482 -3.163 -0.906
90 HA LEU 14 HA LEU 14 -2.436 -4.047 -3.545
91 HB2 LEU 14 1HB LEU 14 -0.907 -3.421 -1.258
92 HB3 LEU 14 2HB LEU 14 -0.992 -5.173 -1.275
93 HG LEU 14 HG LEU 14 1.026 -4.271 -2.299
94 HD11 LEU 14 1HD1 LEU 14 0.179 -6.473 -2.970
95 HD12 LEU 14 2HD1 LEU 14 -0.774 -5.722 -4.271
96 HD13 LEU 14 3HD1 LEU 14 1.002 -5.661 -4.319
97 HD21 LEU 14 1HD2 LEU 14 -0.676 -3.275 -4.598
98 HD22 LEU 14 2HD2 LEU 14 -0.079 -2.223 -3.297
99 HD23 LEU 14 3HD2 LEU 14 1.074 -3.077 -4.352
100 H ILE 15 H ILE 15 -3.503 -5.035 -0.267
101 HA ILE 15 HA ILE 15 -4.637 -7.488 -1.525
102 HB ILE 15 HB ILE 15 -3.517 -7.252 1.299
103 HG12 ILE 15 1HG1 ILE 15 -2.398 -8.718 -1.111
104 HG13 ILE 15 2HG1 ILE 15 -1.763 -7.205 -0.475
105 HG21 ILE 15 1HG2 ILE 15 -3.897 -9.706 1.359
106 HG22 ILE 15 2HG2 ILE 15 -5.400 -8.807 1.110
107 HG23 ILE 15 3HG2 ILE 15 -4.622 -9.622 -0.265
108 HD11 ILE 15 1HD1 ILE 15 -1.293 -8.354 1.696
109 HD12 ILE 15 2HD1 ILE 15 -1.719 -9.892 0.904
110 HD13 ILE 15 3HD1 ILE 15 -0.348 -8.934 0.307
111 H TRP 16 H TRP 16 -6.733 -7.409 -1.520
112 HA TRP 16 HA TRP 16 -8.848 -6.553 -1.082
113 HB2 TRP 16 1HB TRP 16 -8.425 -7.980 1.525
114 HB3 TRP 16 2HB TRP 16 -9.838 -7.966 0.467
115 HD1 TRP 16 HD1 TRP 16 -7.356 -10.283 1.529
116 HE1 TRP 16 HE1 TRP 16 -6.775 -12.114 -0.153
117 HE3 TRP 16 HE3 TRP 16 -9.540 -8.187 -2.578
118 HZ2 TRP 16 HZ2 TRP 16 -7.043 -12.490 -2.958
119 HZ3 TRP 16 HZ3 TRP 16 -9.334 -9.343 -4.755
120 HH2 TRP 16 HH2 TRP 16 -8.088 -11.470 -4.941
121 H CYS 17 H CYS 17 -7.903 -4.226 -0.761
122 HA CYS 17 HA CYS 17 -7.975 -3.264 1.965
123 HB2 CYS 17 1HB CYS 17 -7.804 -1.038 0.917
124 HB3 CYS 17 2HB CYS 17 -6.589 -2.181 0.314
125 H ASP 18 H ASP 18 -9.376 -1.590 2.778
126 HA ASP 18 HA ASP 18 -12.193 -2.091 2.297
127 HB2 ASP 18 1HB ASP 18 -11.292 -1.383 4.540
128 HB3 ASP 18 2HB ASP 18 -10.880 0.192 3.846
129 HC ASP 18 HC ASP 18 -12.705 -0.355 0.695
Start of MODEL 13
1 H1 GLY 1 H GLY 1 2.463 -0.481 0.136
2 HA2 GLY 1 1HA GLY 1 3.608 -0.843 -2.223
3 HA3 GLY 1 2HA GLY 1 1.928 -0.708 -2.771
4 H SER 2 H SER 2 1.976 1.281 -3.824
5 HA SER 2 HA SER 2 2.212 3.598 -2.044
6 HB2 SER 2 1HB SER 2 4.488 2.848 -3.296
7 HB3 SER 2 2HB SER 2 3.796 3.913 -4.534
8 HG SER 2 HG SER 2 3.504 5.448 -2.725
9 H ARG 3 H ARG 3 1.241 2.349 -5.196
10 HA ARG 3 HA ARG 3 0.719 4.867 -6.382
11 HB2 ARG 3 1HB ARG 3 -0.650 2.260 -7.087
12 HB3 ARG 3 2HB ARG 3 -0.388 3.656 -8.124
13 HG2 ARG 3 1HG ARG 3 1.695 1.714 -7.074
14 HG3 ARG 3 2HG ARG 3 1.114 1.879 -8.732
15 HD2 ARG 3 1HD ARG 3 2.000 4.284 -8.632
16 HD3 ARG 3 2HD ARG 3 2.849 3.797 -7.159
17 HE ARG 3 HE ARG 3 3.435 2.983 -9.916
18 HH11 ARG 3 1HH1 ARG 3 4.084 2.310 -6.500
19 HH12 ARG 3 2HH1 ARG 3 5.532 1.394 -6.886
20 HH21 ARG 3 1HH2 ARG 3 5.277 1.853 -10.303
21 HH22 ARG 3 2HH2 ARG 3 6.206 1.161 -8.984
22 H GLY 4 H GLY 4 -1.877 2.579 -5.510
23 HA2 GLY 4 1HA GLY 4 -3.715 4.910 -5.356
24 HA3 GLY 4 2HA GLY 4 -4.182 3.202 -5.493
25 H TRP 5 H TRP 5 -5.634 4.186 -3.569
26 HA TRP 5 HA TRP 5 -4.098 4.151 -1.063
27 HB2 TRP 5 1HB TRP 5 -7.062 4.410 -1.037
28 HB3 TRP 5 2HB TRP 5 -5.842 5.262 -0.092
29 HD1 TRP 5 HD1 TRP 5 -8.268 5.889 -2.739
30 HE1 TRP 5 HE1 TRP 5 -7.853 8.097 -3.948
31 HE3 TRP 5 HE3 TRP 5 -3.446 6.599 -1.271
32 HZ2 TRP 5 HZ2 TRP 5 -5.735 10.001 -4.112
33 HZ3 TRP 5 HZ3 TRP 5 -2.269 8.663 -1.973
34 HH2 TRP 5 HH2 TRP 5 -3.416 10.350 -3.371
35 H GLY 6 H GLY 6 -4.487 2.790 0.727
36 HA2 GLY 6 1HA GLY 6 -6.681 1.124 1.021
37 HA3 GLY 6 2HA GLY 6 -5.514 0.170 0.116
38 H PHE 7 H PHE 7 -5.427 -1.359 1.753
39 HA PHE 7 HA PHE 7 -4.766 -0.551 4.486
40 HB2 PHE 7 1HB PHE 7 -5.355 -3.184 3.099
41 HB3 PHE 7 2HB PHE 7 -4.790 -3.108 4.765
42 HD1 PHE 7 HD1 PHE 7 -7.004 -0.322 3.896
43 HD2 PHE 7 HD2 PHE 7 -6.858 -4.390 5.222
44 HE1 PHE 7 HE1 PHE 7 -9.309 -0.144 4.691
45 HE2 PHE 7 HE2 PHE 7 -9.167 -4.200 6.045
46 HZ PHE 7 HZ PHE 7 -10.411 -2.079 5.769
47 H GLU 8 H GLU 8 -2.919 -1.413 1.732
48 HA GLU 8 HA GLU 8 -0.746 -2.786 3.020
49 HB2 GLU 8 1HB GLU 8 -1.198 -2.693 0.504
50 HB3 GLU 8 2HB GLU 8 -0.740 -0.995 0.544
51 HG2 GLU 8 1HG GLU 8 1.538 -1.779 1.503
52 HG3 GLU 8 2HG GLU 8 1.067 -3.402 0.997
53 HA PRO 9 HA PRO 9 1.165 0.795 4.968
54 HB2 PRO 9 1HB PRO 9 3.699 -0.256 5.279
55 HB3 PRO 9 2HB PRO 9 2.328 -0.675 6.357
56 HG2 PRO 9 1HG PRO 9 3.389 -2.176 3.970
57 HG3 PRO 9 2HG PRO 9 2.984 -2.794 5.601
58 HD2 PRO 9 1HD PRO 9 1.291 -3.055 3.526
59 HD3 PRO 9 2HD PRO 9 0.677 -2.713 5.180
60 H GLY 10 H GLY 10 2.358 2.517 4.158
61 HA2 GLY 10 1HA GLY 10 3.461 3.706 2.433
62 HA3 GLY 10 2HA GLY 10 3.511 2.237 1.441
63 H VAL 11 H VAL 11 0.537 2.179 2.671
64 HA VAL 11 HA VAL 11 -1.556 2.777 2.114
65 HB VAL 11 HB VAL 11 -0.367 5.249 0.799
66 HG11 VAL 11 1HG1 VAL 11 -3.188 4.508 1.656
67 HG12 VAL 11 2HG1 VAL 11 -2.668 6.164 1.261
68 HG13 VAL 11 3HG1 VAL 11 -2.599 4.903 0.019
69 HG21 VAL 11 1HG2 VAL 11 -1.413 4.766 3.618
70 HG22 VAL 11 2HG2 VAL 11 0.262 5.152 3.156
71 HG23 VAL 11 3HG2 VAL 11 -1.016 6.359 2.933
72 H ARG 12 H ARG 12 -1.875 0.999 0.878
73 HA ARG 12 HA ARG 12 -2.644 1.652 -1.845
74 HB2 ARG 12 1HB ARG 12 -0.070 0.631 -1.462
75 HB3 ARG 12 2HB ARG 12 -1.011 -0.788 -1.916
76 HG2 ARG 12 1HG ARG 12 -0.849 1.784 -3.521
77 HG3 ARG 12 2HG ARG 12 0.114 0.326 -3.811
78 HD2 ARG 12 1HD ARG 12 -2.148 -0.905 -3.988
79 HD3 ARG 12 2HD ARG 12 -2.853 0.707 -4.168
80 HE ARG 12 HE ARG 12 -1.940 0.869 -6.298
81 HH11 ARG 12 1HH1 ARG 12 -0.559 -1.993 -4.718
82 HH12 ARG 12 2HH1 ARG 12 0.153 -2.560 -6.216
83 HH21 ARG 12 1HH2 ARG 12 -1.064 0.044 -8.139
84 HH22 ARG 12 2HH2 ARG 12 -0.111 -1.430 -8.099
85 H CYS 13 H CYS 13 -4.202 0.202 -2.719
86 HA CYS 13 HA CYS 13 -5.188 -1.892 -0.932
87 HB2 CYS 13 1HB CYS 13 -6.676 -0.594 -2.477
88 HB3 CYS 13 2HB CYS 13 -5.874 -1.388 -3.849
89 H LEU 14 H LEU 14 -4.338 -3.866 -0.751
90 HA LEU 14 HA LEU 14 -3.114 -5.111 -3.150
91 HB2 LEU 14 1HB LEU 14 -1.544 -3.981 -1.322
92 HB3 LEU 14 2HB LEU 14 -1.853 -5.461 -0.444
93 HG LEU 14 HG LEU 14 0.271 -5.470 -1.570
94 HD11 LEU 14 1HD1 LEU 14 -1.629 -7.458 -2.855
95 HD12 LEU 14 2HD1 LEU 14 0.135 -7.621 -2.720
96 HD13 LEU 14 3HD1 LEU 14 -0.866 -7.619 -1.255
97 HD21 LEU 14 1HD2 LEU 14 0.536 -5.471 -3.964
98 HD22 LEU 14 2HD2 LEU 14 -1.221 -5.383 -4.212
99 HD23 LEU 14 3HD2 LEU 14 -0.352 -4.010 -3.482
100 H ILE 15 H ILE 15 -4.137 -5.603 0.260
101 HA ILE 15 HA ILE 15 -5.414 -8.150 -0.620
102 HB ILE 15 HB ILE 15 -4.186 -7.584 2.112
103 HG12 ILE 15 1HG1 ILE 15 -3.209 -9.397 -0.117
104 HG13 ILE 15 2HG1 ILE 15 -2.494 -7.847 0.310
105 HG21 ILE 15 1HG2 ILE 15 -4.660 -9.992 2.511
106 HG22 ILE 15 2HG2 ILE 15 -6.131 -9.062 2.201
107 HG23 ILE 15 3HG2 ILE 15 -5.450 -10.088 0.919
108 HD11 ILE 15 1HD1 ILE 15 -2.000 -8.746 2.592
109 HD12 ILE 15 2HD1 ILE 15 -2.512 -10.348 2.004
110 HD13 ILE 15 3HD1 ILE 15 -1.124 -9.528 1.258
111 H TRP 16 H TRP 16 -7.521 -7.999 -0.529
112 HA TRP 16 HA TRP 16 -9.576 -7.004 -0.153
113 HB2 TRP 16 1HB TRP 16 -9.027 -7.905 2.664
114 HB3 TRP 16 2HB TRP 16 -10.528 -7.981 1.739
115 HD1 TRP 16 HD1 TRP 16 -8.080 -10.240 3.013
116 HE1 TRP 16 HE1 TRP 16 -7.778 -12.391 1.672
117 HE3 TRP 16 HE3 TRP 16 -10.580 -8.803 -1.195
118 HZ2 TRP 16 HZ2 TRP 16 -8.368 -13.269 -0.968
119 HZ3 TRP 16 HZ3 TRP 16 -10.684 -10.365 -3.110
120 HH2 TRP 16 HH2 TRP 16 -9.577 -12.574 -2.997
121 H CYS 17 H CYS 17 -8.419 -4.716 -0.334
122 HA CYS 17 HA CYS 17 -8.463 -3.179 2.120
123 HB2 CYS 17 1HB CYS 17 -8.125 -1.265 0.667
124 HB3 CYS 17 2HB CYS 17 -7.061 -2.593 0.171
125 H ASP 18 H ASP 18 -9.853 -1.294 2.481
126 HA ASP 18 HA ASP 18 -12.669 -1.764 1.953
127 HB2 ASP 18 1HB ASP 18 -11.875 -0.532 3.993
128 HB3 ASP 18 2HB ASP 18 -11.297 0.776 2.953
129 HC ASP 18 HC ASP 18 -12.974 -0.500 -0.083
Start of MODEL 14
1 H1 GLY 1 H GLY 1 2.598 -0.607 0.585
2 HA2 GLY 1 1HA GLY 1 1.323 -0.499 -1.987
3 HA3 GLY 1 2HA GLY 1 0.618 0.672 -0.889
4 H SER 2 H SER 2 1.087 1.960 -2.766
5 HA SER 2 HA SER 2 3.331 3.655 -2.277
6 HB2 SER 2 1HB SER 2 4.134 1.478 -3.653
7 HB3 SER 2 2HB SER 2 3.603 2.495 -5.005
8 HG SER 2 HG SER 2 5.865 2.721 -4.192
9 H ARG 3 H ARG 3 1.037 2.558 -4.808
10 HA ARG 3 HA ARG 3 0.935 5.278 -5.869
11 HB2 ARG 3 1HB ARG 3 -0.530 2.824 -6.877
12 HB3 ARG 3 2HB ARG 3 -0.230 4.331 -7.741
13 HG2 ARG 3 1HG ARG 3 1.798 2.213 -6.956
14 HG3 ARG 3 2HG ARG 3 1.205 2.600 -8.573
15 HD2 ARG 3 1HD ARG 3 2.145 5.001 -8.013
16 HD3 ARG 3 2HD ARG 3 3.100 4.129 -6.814
17 HE ARG 3 HE ARG 3 4.358 3.144 -8.501
18 HH11 ARG 3 1HH1 ARG 3 1.615 4.806 -10.002
19 HH12 ARG 3 2HH1 ARG 3 2.289 4.613 -11.611
20 HH21 ARG 3 1HH2 ARG 3 5.141 2.974 -10.556
21 HH22 ARG 3 2HH2 ARG 3 4.236 3.615 -11.918
22 H GLY 4 H GLY 4 -2.007 3.417 -6.090
23 HA2 GLY 4 1HA GLY 4 -3.443 5.722 -4.996
24 HA3 GLY 4 2HA GLY 4 -4.160 4.270 -5.728
25 H TRP 5 H TRP 5 -5.703 4.372 -3.819
26 HA TRP 5 HA TRP 5 -4.328 4.237 -1.255
27 HB2 TRP 5 1HB TRP 5 -7.299 4.406 -1.463
28 HB3 TRP 5 2HB TRP 5 -6.198 5.170 -0.316
29 HD1 TRP 5 HD1 TRP 5 -8.382 6.122 -3.020
30 HE1 TRP 5 HE1 TRP 5 -7.778 8.355 -4.095
31 HE3 TRP 5 HE3 TRP 5 -3.608 6.474 -1.277
32 HZ2 TRP 5 HZ2 TRP 5 -5.517 10.090 -4.136
33 HZ3 TRP 5 HZ3 TRP 5 -2.253 8.453 -1.891
34 HH2 TRP 5 HH2 TRP 5 -3.209 10.246 -3.300
35 H GLY 6 H GLY 6 -4.508 2.824 0.397
36 HA2 GLY 6 1HA GLY 6 -6.686 1.160 0.840
37 HA3 GLY 6 2HA GLY 6 -5.548 0.186 -0.078
38 H PHE 7 H PHE 7 -4.124 -1.026 1.121
39 HA PHE 7 HA PHE 7 -4.677 -0.593 4.009
40 HB2 PHE 7 1HB PHE 7 -5.185 -2.811 2.150
41 HB3 PHE 7 2HB PHE 7 -4.417 -3.322 3.654
42 HD1 PHE 7 HD1 PHE 7 -6.922 -0.605 3.028
43 HD2 PHE 7 HD2 PHE 7 -6.082 -4.347 4.912
44 HE1 PHE 7 HE1 PHE 7 -9.046 -0.454 4.267
45 HE2 PHE 7 HE2 PHE 7 -8.249 -4.248 6.080
46 HZ PHE 7 HZ PHE 7 -9.735 -2.295 5.770
47 H GLU 8 H GLU 8 -2.204 -2.060 1.830
48 HA GLU 8 HA GLU 8 -0.570 -2.717 4.148
49 HB2 GLU 8 1HB GLU 8 0.426 -4.121 2.724
50 HB3 GLU 8 2HB GLU 8 -0.620 -3.553 1.437
51 HG2 GLU 8 1HG GLU 8 2.010 -2.132 2.122
52 HG3 GLU 8 2HG GLU 8 1.929 -3.494 1.020
53 HA PRO 9 HA PRO 9 1.334 1.084 4.864
54 HB2 PRO 9 1HB PRO 9 3.949 0.355 5.453
55 HB3 PRO 9 2HB PRO 9 2.573 0.128 6.577
56 HG2 PRO 9 1HG PRO 9 3.791 -1.860 4.666
57 HG3 PRO 9 2HG PRO 9 3.391 -2.062 6.402
58 HD2 PRO 9 1HD PRO 9 1.747 -2.978 4.501
59 HD3 PRO 9 2HD PRO 9 1.073 -2.173 5.963
60 H GLY 10 H GLY 10 2.263 2.695 3.722
61 HA2 GLY 10 1HA GLY 10 3.495 3.577 1.849
62 HA3 GLY 10 2HA GLY 10 3.523 1.962 1.119
63 H VAL 11 H VAL 11 0.620 1.732 2.142
64 HA VAL 11 HA VAL 11 -1.508 2.286 1.664
65 HB VAL 11 HB VAL 11 -0.407 4.867 0.492
66 HG11 VAL 11 1HG1 VAL 11 -3.204 4.013 1.317
67 HG12 VAL 11 2HG1 VAL 11 -2.718 5.694 0.985
68 HG13 VAL 11 3HG1 VAL 11 -2.628 4.483 -0.307
69 HG21 VAL 11 1HG2 VAL 11 -1.090 5.811 2.697
70 HG22 VAL 11 2HG2 VAL 11 -1.430 4.163 3.273
71 HG23 VAL 11 3HG2 VAL 11 0.229 4.636 2.836
72 H ARG 12 H ARG 12 -1.862 0.590 0.316
73 HA ARG 12 HA ARG 12 -2.963 1.510 -2.206
74 HB2 ARG 12 1HB ARG 12 -0.575 0.871 -2.799
75 HB3 ARG 12 2HB ARG 12 -0.947 -0.763 -2.245
76 HG2 ARG 12 1HG ARG 12 -1.081 -0.881 -4.552
77 HG3 ARG 12 2HG ARG 12 -2.772 -0.795 -4.050
78 HD2 ARG 12 1HD ARG 12 -2.777 1.630 -4.512
79 HD3 ARG 12 2HD ARG 12 -1.083 1.541 -4.999
80 HE ARG 12 HE ARG 12 -3.418 0.787 -6.554
81 HH11 ARG 12 1HH1 ARG 12 0.038 0.101 -6.201
82 HH12 ARG 12 2HH1 ARG 12 0.184 -0.380 -7.884
83 HH21 ARG 12 1HH2 ARG 12 -3.149 0.123 -8.635
84 HH22 ARG 12 2HH2 ARG 12 -1.578 -0.393 -9.219
85 H CYS 13 H CYS 13 -4.695 0.119 -2.853
86 HA CYS 13 HA CYS 13 -5.572 -1.954 -1.063
87 HB2 CYS 13 1HB CYS 13 -7.063 -0.806 -2.708
88 HB3 CYS 13 2HB CYS 13 -6.188 -1.621 -4.023
89 H LEU 14 H LEU 14 -4.615 -3.844 -0.703
90 HA LEU 14 HA LEU 14 -3.133 -5.148 -2.931
91 HB2 LEU 14 1HB LEU 14 -2.000 -3.846 -0.726
92 HB3 LEU 14 2HB LEU 14 -1.997 -5.531 -0.251
93 HG LEU 14 HG LEU 14 0.116 -4.845 -1.156
94 HD11 LEU 14 1HD1 LEU 14 -0.621 -7.177 -1.450
95 HD12 LEU 14 2HD1 LEU 14 -1.304 -6.760 -3.040
96 HD13 LEU 14 3HD1 LEU 14 0.449 -6.650 -2.766
97 HD21 LEU 14 1HD2 LEU 14 -1.271 -4.368 -3.815
98 HD22 LEU 14 2HD2 LEU 14 -0.696 -3.096 -2.712
99 HD23 LEU 14 3HD2 LEU 14 0.465 -4.214 -3.462
100 H ILE 15 H ILE 15 -4.380 -5.570 0.415
101 HA ILE 15 HA ILE 15 -5.453 -8.213 -0.439
102 HB ILE 15 HB ILE 15 -4.227 -7.575 2.279
103 HG12 ILE 15 1HG1 ILE 15 -3.179 -9.356 0.056
104 HG13 ILE 15 2HG1 ILE 15 -2.546 -7.760 0.444
105 HG21 ILE 15 1HG2 ILE 15 -4.562 -10.012 2.680
106 HG22 ILE 15 2HG2 ILE 15 -6.082 -9.150 2.408
107 HG23 ILE 15 3HG2 ILE 15 -5.384 -10.140 1.106
108 HD11 ILE 15 1HD1 ILE 15 -1.963 -8.582 2.730
109 HD12 ILE 15 2HD1 ILE 15 -2.403 -10.222 2.189
110 HD13 ILE 15 3HD1 ILE 15 -1.072 -9.350 1.397
111 H TRP 16 H TRP 16 -7.579 -8.178 -0.300
112 HA TRP 16 HA TRP 16 -9.678 -7.296 0.103
113 HB2 TRP 16 1HB TRP 16 -8.963 -8.016 2.940
114 HB3 TRP 16 2HB TRP 16 -10.517 -8.169 2.114
115 HD1 TRP 16 HD1 TRP 16 -7.922 -10.317 3.312
116 HE1 TRP 16 HE1 TRP 16 -7.634 -12.503 2.025
117 HE3 TRP 16 HE3 TRP 16 -10.776 -9.127 -0.745
118 HZ2 TRP 16 HZ2 TRP 16 -8.354 -13.485 -0.546
119 HZ3 TRP 16 HZ3 TRP 16 -10.950 -10.757 -2.597
120 HH2 TRP 16 HH2 TRP 16 -9.734 -12.909 -2.501
121 H CYS 17 H CYS 17 -8.665 -4.996 -0.285
122 HA CYS 17 HA CYS 17 -8.503 -3.328 2.068
123 HB2 CYS 17 1HB CYS 17 -8.190 -1.521 0.493
124 HB3 CYS 17 2HB CYS 17 -7.231 -2.926 -0.005
125 H ASP 18 H ASP 18 -9.749 -1.368 2.412
126 HA ASP 18 HA ASP 18 -12.631 -1.698 2.087
127 HB2 ASP 18 1HB ASP 18 -11.648 -0.552 4.095
128 HB3 ASP 18 2HB ASP 18 -11.039 0.730 3.040
129 HC ASP 18 HC ASP 18 -12.961 -0.381 0.085
Start of MODEL 15
1 H1 GLY 1 H GLY 1 4.038 -1.441 -0.221
2 HA2 GLY 1 1HA GLY 1 4.157 -0.388 -2.276
3 HA3 GLY 1 2HA GLY 1 2.498 -0.966 -2.411
4 H SER 2 H SER 2 2.156 0.845 -3.893
5 HA SER 2 HA SER 2 0.917 3.014 -2.447
6 HB2 SER 2 1HB SER 2 3.406 3.594 -2.530
7 HB3 SER 2 2HB SER 2 3.157 3.835 -4.273
8 HG SER 2 HG SER 2 1.741 5.135 -2.159
9 H ARG 3 H ARG 3 -0.119 1.185 -4.243
10 HA ARG 3 HA ARG 3 -0.918 2.935 -6.489
11 HB2 ARG 3 1HB ARG 3 -1.883 0.131 -5.835
12 HB3 ARG 3 2HB ARG 3 -2.191 1.044 -7.314
13 HG2 ARG 3 1HG ARG 3 0.453 -0.091 -6.360
14 HG3 ARG 3 2HG ARG 3 -0.516 -0.603 -7.747
15 HD2 ARG 3 1HD ARG 3 -0.203 1.967 -8.413
16 HD3 ARG 3 2HD ARG 3 1.236 1.796 -7.400
17 HE ARG 3 HE ARG 3 1.338 -0.394 -9.084
18 HH11 ARG 3 1HH1 ARG 3 1.154 3.093 -9.660
19 HH12 ARG 3 2HH1 ARG 3 1.932 2.950 -11.225
20 HH21 ARG 3 1HH2 ARG 3 2.364 -0.477 -11.035
21 HH22 ARG 3 2HH2 ARG 3 2.638 0.986 -11.968
22 H GLY 4 H GLY 4 -3.457 0.925 -5.305
23 HA2 GLY 4 1HA GLY 4 -4.970 3.393 -4.722
24 HA3 GLY 4 2HA GLY 4 -5.644 1.784 -5.020
25 H TRP 5 H TRP 5 -6.078 3.770 -2.773
26 HA TRP 5 HA TRP 5 -4.143 3.430 -0.792
27 HB2 TRP 5 1HB TRP 5 -6.969 4.297 -0.194
28 HB3 TRP 5 2HB TRP 5 -5.466 4.892 0.507
29 HD1 TRP 5 HD1 TRP 5 -8.026 5.925 -1.852
30 HE1 TRP 5 HE1 TRP 5 -7.272 7.827 -3.379
31 HE3 TRP 5 HE3 TRP 5 -3.005 5.461 -1.127
32 HZ2 TRP 5 HZ2 TRP 5 -4.793 9.027 -4.122
33 HZ3 TRP 5 HZ3 TRP 5 -1.476 7.021 -2.291
34 HH2 TRP 5 HH2 TRP 5 -2.371 8.793 -3.766
35 H GLY 6 H GLY 6 -4.044 2.512 1.249
36 HA2 GLY 6 1HA GLY 6 -6.118 1.249 2.618
37 HA3 GLY 6 2HA GLY 6 -5.387 0.009 1.598
38 H PHE 7 H PHE 7 -4.361 -1.270 2.966
39 HA PHE 7 HA PHE 7 -2.885 -0.283 5.266
40 HB2 PHE 7 1HB PHE 7 -3.544 -2.921 4.018
41 HB3 PHE 7 2HB PHE 7 -2.165 -2.868 5.112
42 HD1 PHE 7 HD1 PHE 7 -5.720 -1.707 4.980
43 HD2 PHE 7 HD2 PHE 7 -2.507 -3.165 7.383
44 HE1 PHE 7 HE1 PHE 7 -7.258 -1.914 6.901
45 HE2 PHE 7 HE2 PHE 7 -4.024 -3.337 9.317
46 HZ PHE 7 HZ PHE 7 -6.410 -2.734 9.077
47 H GLU 8 H GLU 8 -0.556 -1.909 5.178
48 HA GLU 8 HA GLU 8 1.611 -1.856 4.522
49 HB2 GLU 8 1HB GLU 8 0.981 -2.854 2.436
50 HB3 GLU 8 2HB GLU 8 0.324 -1.361 1.814
51 HG2 GLU 8 1HG GLU 8 3.125 -0.875 2.405
52 HG3 GLU 8 2HG GLU 8 3.000 -2.393 1.530
53 HA PRO 9 HA PRO 9 2.668 2.437 5.065
54 HB2 PRO 9 1HB PRO 9 5.416 2.170 4.850
55 HB3 PRO 9 2HB PRO 9 4.504 1.760 6.338
56 HG2 PRO 9 1HG PRO 9 5.446 -0.061 4.132
57 HG3 PRO 9 2HG PRO 9 5.594 -0.266 5.905
58 HD2 PRO 9 1HD PRO 9 3.676 -1.510 4.493
59 HD3 PRO 9 2HD PRO 9 3.337 -0.862 6.136
60 H GLY 10 H GLY 10 2.634 3.969 3.536
61 HA2 GLY 10 1HA GLY 10 3.232 4.897 1.384
62 HA3 GLY 10 2HA GLY 10 3.505 3.258 0.773
63 H VAL 11 H VAL 11 0.959 2.615 2.479
64 HA VAL 11 HA VAL 11 -1.277 2.701 2.446
65 HB VAL 11 HB VAL 11 -1.139 5.260 0.817
66 HG11 VAL 11 1HG1 VAL 11 -3.370 4.257 1.054
67 HG12 VAL 11 2HG1 VAL 11 -3.164 4.182 2.820
68 HG13 VAL 11 3HG1 VAL 11 -3.246 5.755 1.993
69 HG21 VAL 11 1HG2 VAL 11 0.320 5.591 2.720
70 HG22 VAL 11 2HG2 VAL 11 -1.217 6.404 3.054
71 HG23 VAL 11 3HG2 VAL 11 -0.861 4.836 3.817
72 H ARG 12 H ARG 12 -1.207 0.791 1.233
73 HA ARG 12 HA ARG 12 -2.732 1.085 -1.274
74 HB2 ARG 12 1HB ARG 12 -0.232 0.866 -1.742
75 HB3 ARG 12 2HB ARG 12 -0.363 -0.784 -1.132
76 HG2 ARG 12 1HG ARG 12 -2.055 0.241 -3.417
77 HG3 ARG 12 2HG ARG 12 -0.437 -0.448 -3.643
78 HD2 ARG 12 1HD ARG 12 -1.313 -2.472 -2.323
79 HD3 ARG 12 2HD ARG 12 -2.920 -1.810 -2.634
80 HE ARG 12 HE ARG 12 -1.086 -3.004 -4.594
81 HH11 ARG 12 1HH1 ARG 12 -4.098 -1.194 -4.116
82 HH12 ARG 12 2HH1 ARG 12 -4.682 -1.603 -5.718
83 HH21 ARG 12 1HH2 ARG 12 -1.915 -3.500 -6.568
84 HH22 ARG 12 2HH2 ARG 12 -3.483 -2.883 -7.069
85 H CYS 13 H CYS 13 -4.446 -0.173 -1.214
86 HA CYS 13 HA CYS 13 -4.882 -2.155 0.816
87 HB2 CYS 13 1HB CYS 13 -6.342 -0.876 -1.327
88 HB3 CYS 13 2HB CYS 13 -6.618 -2.613 -1.384
89 H LEU 14 H LEU 14 -3.571 -3.919 0.872
90 HA LEU 14 HA LEU 14 -2.663 -5.320 -1.477
91 HB2 LEU 14 1HB LEU 14 -2.444 -5.516 1.417
92 HB3 LEU 14 2HB LEU 14 -2.782 -7.092 0.729
93 HG LEU 14 HG LEU 14 -0.410 -6.712 1.116
94 HD11 LEU 14 1HD1 LEU 14 -1.065 -6.925 -1.842
95 HD12 LEU 14 2HD1 LEU 14 0.411 -7.500 -1.033
96 HD13 LEU 14 3HD1 LEU 14 -1.154 -8.251 -0.662
97 HD21 LEU 14 1HD2 LEU 14 -0.538 -4.606 -1.066
98 HD22 LEU 14 2HD2 LEU 14 -0.370 -4.267 0.672
99 HD23 LEU 14 3HD2 LEU 14 0.903 -5.163 -0.185
100 H ILE 15 H ILE 15 -5.554 -5.448 0.457
101 HA ILE 15 HA ILE 15 -6.501 -7.942 -0.795
102 HB ILE 15 HB ILE 15 -8.427 -6.182 0.663
103 HG12 ILE 15 1HG1 ILE 15 -6.285 -7.717 2.168
104 HG13 ILE 15 2HG1 ILE 15 -6.340 -5.955 2.028
105 HG21 ILE 15 1HG2 ILE 15 -9.200 -8.345 1.540
106 HG22 ILE 15 2HG2 ILE 15 -9.033 -8.424 -0.215
107 HG23 ILE 15 3HG2 ILE 15 -7.791 -9.158 0.822
108 HD11 ILE 15 1HD1 ILE 15 -8.319 -7.708 3.480
109 HD12 ILE 15 2HD1 ILE 15 -7.201 -6.503 4.153
110 HD13 ILE 15 3HD1 ILE 15 -8.570 -5.975 3.149
111 H TRP 16 H TRP 16 -8.782 -7.749 -1.835
112 HA TRP 16 HA TRP 16 -8.705 -5.832 -3.980
113 HB2 TRP 16 1HB TRP 16 -11.233 -6.862 -4.068
114 HB3 TRP 16 2HB TRP 16 -9.812 -7.608 -4.793
115 HD1 TRP 16 HD1 TRP 16 -12.261 -8.073 -1.900
116 HE1 TRP 16 HE1 TRP 16 -11.907 -10.347 -0.782
117 HE3 TRP 16 HE3 TRP 16 -7.923 -9.330 -4.241
118 HZ2 TRP 16 HZ2 TRP 16 -9.958 -12.421 -0.893
119 HZ3 TRP 16 HZ3 TRP 16 -6.839 -11.493 -3.684
120 HH2 TRP 16 HH2 TRP 16 -7.854 -13.015 -2.020
121 H CYS 17 H CYS 17 -8.536 -3.940 -2.593
122 HA CYS 17 HA CYS 17 -11.155 -2.700 -2.163
123 HB2 CYS 17 1HB CYS 17 -10.530 -1.999 0.157
124 HB3 CYS 17 2HB CYS 17 -10.859 -3.716 -0.042
125 H ASP 18 H ASP 18 -10.691 -0.340 -1.291
126 HA ASP 18 HA ASP 18 -9.819 1.208 -3.298
127 HB2 ASP 18 1HB ASP 18 -10.735 2.062 -1.117
128 HB3 ASP 18 2HB ASP 18 -9.151 1.820 -0.379
129 HC ASP 18 HC ASP 18 -7.099 0.810 -1.886
Start of MODEL 16
1 H1 GLY 1 H GLY 1 2.463 -0.552 0.203
2 HA2 GLY 1 1HA GLY 1 3.833 -0.766 -1.986
3 HA3 GLY 1 2HA GLY 1 2.247 -0.985 -2.739
4 H SER 2 H SER 2 3.149 0.990 -3.949
5 HA SER 2 HA SER 2 2.967 3.461 -2.317
6 HB2 SER 2 1HB SER 2 4.217 2.932 -5.031
7 HB3 SER 2 2HB SER 2 4.272 4.462 -4.137
8 HG SER 2 HG SER 2 6.151 3.288 -3.726
9 H ARG 3 H ARG 3 1.298 1.901 -4.934
10 HA ARG 3 HA ARG 3 0.273 4.389 -6.049
11 HB2 ARG 3 1HB ARG 3 -0.812 1.618 -6.590
12 HB3 ARG 3 2HB ARG 3 -0.865 3.037 -7.632
13 HG2 ARG 3 1HG ARG 3 1.552 1.326 -6.974
14 HG3 ARG 3 2HG ARG 3 0.696 1.447 -8.513
15 HD2 ARG 3 1HD ARG 3 1.334 3.937 -8.488
16 HD3 ARG 3 2HD ARG 3 2.425 3.531 -7.164
17 HE ARG 3 HE ARG 3 3.838 2.412 -8.626
18 HH11 ARG 3 1HH1 ARG 3 0.900 3.310 -10.393
19 HH12 ARG 3 2HH1 ARG 3 1.620 2.888 -11.936
20 HH21 ARG 3 1HH2 ARG 3 4.662 1.928 -10.607
21 HH22 ARG 3 2HH2 ARG 3 3.695 2.133 -12.057
22 H GLY 4 H GLY 4 -2.440 3.709 -6.556
23 HA2 GLY 4 1HA GLY 4 -3.412 5.265 -4.459
24 HA3 GLY 4 2HA GLY 4 -4.408 4.424 -5.639
25 H TRP 5 H TRP 5 -5.580 4.827 -3.304
26 HA TRP 5 HA TRP 5 -3.975 4.009 -1.146
27 HB2 TRP 5 1HB TRP 5 -6.870 4.656 -0.773
28 HB3 TRP 5 2HB TRP 5 -5.472 5.193 0.152
29 HD1 TRP 5 HD1 TRP 5 -7.949 6.537 -2.106
30 HE1 TRP 5 HE1 TRP 5 -7.249 8.734 -3.198
31 HE3 TRP 5 HE3 TRP 5 -2.944 6.223 -1.179
32 HZ2 TRP 5 HZ2 TRP 5 -4.819 10.162 -3.603
33 HZ3 TRP 5 HZ3 TRP 5 -1.468 8.046 -1.969
34 HH2 TRP 5 HH2 TRP 5 -2.405 10.000 -3.162
35 H GLY 6 H GLY 6 -4.376 2.703 0.698
36 HA2 GLY 6 1HA GLY 6 -6.639 1.110 1.081
37 HA3 GLY 6 2HA GLY 6 -5.512 0.139 0.137
38 H PHE 7 H PHE 7 -5.396 -1.383 1.830
39 HA PHE 7 HA PHE 7 -4.573 -0.502 4.485
40 HB2 PHE 7 1HB PHE 7 -5.076 -3.256 3.304
41 HB3 PHE 7 2HB PHE 7 -4.693 -2.940 4.996
42 HD1 PHE 7 HD1 PHE 7 -6.645 -0.189 4.495
43 HD2 PHE 7 HD2 PHE 7 -7.003 -4.454 4.402
44 HE1 PHE 7 HE1 PHE 7 -9.010 -0.003 5.099
45 HE2 PHE 7 HE2 PHE 7 -9.376 -4.264 5.021
46 HZ PHE 7 HZ PHE 7 -10.384 -2.039 5.399
47 H GLU 8 H GLU 8 -2.822 -1.610 1.707
48 HA GLU 8 HA GLU 8 -0.625 -2.864 3.061
49 HB2 GLU 8 1HB GLU 8 -1.062 -2.939 0.545
50 HB3 GLU 8 2HB GLU 8 -0.651 -1.230 0.478
51 HG2 GLU 8 1HG GLU 8 1.641 -1.931 1.535
52 HG3 GLU 8 2HG GLU 8 1.212 -3.566 1.027
53 HA PRO 9 HA PRO 9 1.204 0.797 4.893
54 HB2 PRO 9 1HB PRO 9 3.816 -0.122 5.073
55 HB3 PRO 9 2HB PRO 9 2.526 -0.575 6.232
56 HG2 PRO 9 1HG PRO 9 3.514 -2.085 3.818
57 HG3 PRO 9 2HG PRO 9 3.226 -2.681 5.483
58 HD2 PRO 9 1HD PRO 9 1.427 -3.076 3.538
59 HD3 PRO 9 2HD PRO 9 0.886 -2.662 5.200
60 H GLY 10 H GLY 10 2.181 2.593 4.023
61 HA2 GLY 10 1HA GLY 10 3.180 3.812 2.219
62 HA3 GLY 10 2HA GLY 10 3.083 2.371 1.194
63 H VAL 11 H VAL 11 0.288 2.211 2.701
64 HA VAL 11 HA VAL 11 -1.864 2.763 2.370
65 HB VAL 11 HB VAL 11 -1.019 5.395 1.112
66 HG11 VAL 11 1HG1 VAL 11 -3.403 4.786 0.916
67 HG12 VAL 11 2HG1 VAL 11 -3.488 4.522 2.674
68 HG13 VAL 11 3HG1 VAL 11 -3.180 6.151 2.026
69 HG21 VAL 11 1HG2 VAL 11 -1.240 6.319 3.433
70 HG22 VAL 11 2HG2 VAL 11 -1.305 4.653 4.051
71 HG23 VAL 11 3HG2 VAL 11 0.156 5.249 3.229
72 H ARG 12 H ARG 12 -1.645 0.966 0.893
73 HA ARG 12 HA ARG 12 -2.571 1.742 -1.819
74 HB2 ARG 12 1HB ARG 12 -0.290 1.438 -2.228
75 HB3 ARG 12 2HB ARG 12 -0.160 0.099 -1.103
76 HG2 ARG 12 1HG ARG 12 0.089 -0.770 -3.298
77 HG3 ARG 12 2HG ARG 12 -1.476 -1.325 -2.690
78 HD2 ARG 12 1HD ARG 12 -2.630 0.370 -3.970
79 HD3 ARG 12 2HD ARG 12 -1.099 1.103 -4.464
80 HE ARG 12 HE ARG 12 -0.878 -1.459 -5.400
81 HH11 ARG 12 1HH1 ARG 12 -3.439 0.954 -5.762
82 HH12 ARG 12 2HH1 ARG 12 -3.896 0.344 -7.346
83 HH21 ARG 12 1HH2 ARG 12 -1.531 -2.178 -7.383
84 HH22 ARG 12 2HH2 ARG 12 -2.844 -1.388 -8.241
85 H CYS 13 H CYS 13 -4.196 0.430 -2.616
86 HA CYS 13 HA CYS 13 -5.153 -1.758 -0.956
87 HB2 CYS 13 1HB CYS 13 -6.662 -0.391 -2.402
88 HB3 CYS 13 2HB CYS 13 -5.874 -1.094 -3.830
89 H LEU 14 H LEU 14 -4.277 -3.709 -0.828
90 HA LEU 14 HA LEU 14 -3.162 -4.923 -3.296
91 HB2 LEU 14 1HB LEU 14 -1.524 -3.833 -1.505
92 HB3 LEU 14 2HB LEU 14 -1.807 -5.327 -0.643
93 HG LEU 14 HG LEU 14 0.274 -5.330 -1.840
94 HD11 LEU 14 1HD1 LEU 14 -0.871 -7.475 -1.538
95 HD12 LEU 14 2HD1 LEU 14 -1.683 -7.272 -3.110
96 HD13 LEU 14 3HD1 LEU 14 0.083 -7.451 -3.035
97 HD21 LEU 14 1HD2 LEU 14 -0.400 -3.819 -3.696
98 HD22 LEU 14 2HD2 LEU 14 0.459 -5.274 -4.244
99 HD23 LEU 14 3HD2 LEU 14 -1.306 -5.165 -4.429
100 H ILE 15 H ILE 15 -4.055 -5.490 0.143
101 HA ILE 15 HA ILE 15 -5.348 -8.025 -0.746
102 HB ILE 15 HB ILE 15 -4.044 -7.502 1.959
103 HG12 ILE 15 1HG1 ILE 15 -3.130 -9.267 -0.337
104 HG13 ILE 15 2HG1 ILE 15 -2.407 -7.724 0.102
105 HG21 ILE 15 1HG2 ILE 15 -5.978 -8.990 2.083
106 HG22 ILE 15 2HG2 ILE 15 -5.337 -9.988 0.760
107 HG23 ILE 15 3HG2 ILE 15 -4.494 -9.921 2.326
108 HD11 ILE 15 1HD1 ILE 15 -2.365 -10.262 1.740
109 HD12 ILE 15 2HD1 ILE 15 -1.003 -9.422 0.968
110 HD13 ILE 15 3HD1 ILE 15 -1.838 -8.672 2.346
111 H TRP 16 H TRP 16 -7.448 -7.887 -0.606
112 HA TRP 16 HA TRP 16 -9.505 -6.938 -0.163
113 HB2 TRP 16 1HB TRP 16 -8.845 -7.826 2.636
114 HB3 TRP 16 2HB TRP 16 -10.388 -7.897 1.781
115 HD1 TRP 16 HD1 TRP 16 -7.878 -10.164 2.931
116 HE1 TRP 16 HE1 TRP 16 -7.650 -12.313 1.570
117 HE3 TRP 16 HE3 TRP 16 -10.597 -8.716 -1.134
118 HZ2 TRP 16 HZ2 TRP 16 -8.375 -13.181 -1.038
119 HZ3 TRP 16 HZ3 TRP 16 -10.803 -10.274 -3.046
120 HH2 TRP 16 HH2 TRP 16 -9.692 -12.482 -2.997
121 H CYS 17 H CYS 17 -8.359 -4.627 -0.376
122 HA CYS 17 HA CYS 17 -8.375 -3.091 2.073
123 HB2 CYS 17 1HB CYS 17 -8.111 -1.168 0.630
124 HB3 CYS 17 2HB CYS 17 -7.034 -2.471 0.104
125 H ASP 18 H ASP 18 -9.787 -1.225 2.471
126 HA ASP 18 HA ASP 18 -12.600 -1.865 2.175
127 HB2 ASP 18 1HB ASP 18 -11.689 -0.569 4.137
128 HB3 ASP 18 2HB ASP 18 -11.339 0.777 3.044
129 HC ASP 18 HC ASP 18 -13.124 -0.670 0.144
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.528 -0.536 0.181
2 HA2 GLY 1 1HA GLY 1 3.811 -0.848 -2.076
3 HA3 GLY 1 2HA GLY 1 2.175 -0.986 -2.737
4 H SER 2 H SER 2 3.023 0.936 -4.019
5 HA SER 2 HA SER 2 3.061 3.418 -2.374
6 HB2 SER 2 1HB SER 2 4.322 2.817 -5.065
7 HB3 SER 2 2HB SER 2 4.484 4.318 -4.137
8 HG SER 2 HG SER 2 6.252 3.045 -3.671
9 H ARG 3 H ARG 3 1.228 1.948 -4.882
10 HA ARG 3 HA ARG 3 0.431 4.477 -6.104
11 HB2 ARG 3 1HB ARG 3 -0.859 1.777 -6.542
12 HB3 ARG 3 2HB ARG 3 -0.845 3.166 -7.624
13 HG2 ARG 3 1HG ARG 3 1.489 1.349 -6.956
14 HG3 ARG 3 2HG ARG 3 0.595 1.449 -8.476
15 HD2 ARG 3 1HD ARG 3 1.327 3.943 -8.479
16 HD3 ARG 3 2HD ARG 3 2.527 3.440 -7.287
17 HE ARG 3 HE ARG 3 2.445 2.771 -10.147
18 HH11 ARG 3 1HH1 ARG 3 3.955 2.005 -7.039
19 HH12 ARG 3 2HH1 ARG 3 5.309 1.200 -7.817
20 HH21 ARG 3 1HH2 ARG 3 4.182 1.761 -11.035
21 HH22 ARG 3 2HH2 ARG 3 5.445 1.080 -10.023
22 H GLY 4 H GLY 4 -2.385 3.629 -6.545
23 HA2 GLY 4 1HA GLY 4 -3.394 5.396 -4.591
24 HA3 GLY 4 2HA GLY 4 -4.358 4.439 -5.711
25 H TRP 5 H TRP 5 -5.493 4.987 -3.353
26 HA TRP 5 HA TRP 5 -3.934 4.181 -1.163
27 HB2 TRP 5 1HB TRP 5 -6.818 4.761 -0.736
28 HB3 TRP 5 2HB TRP 5 -5.399 5.427 0.068
29 HD1 TRP 5 HD1 TRP 5 -8.063 6.463 -2.166
30 HE1 TRP 5 HE1 TRP 5 -7.545 8.615 -3.438
31 HE3 TRP 5 HE3 TRP 5 -3.033 6.577 -1.337
32 HZ2 TRP 5 HZ2 TRP 5 -5.221 10.134 -4.069
33 HZ3 TRP 5 HZ3 TRP 5 -1.700 8.405 -2.340
34 HH2 TRP 5 HH2 TRP 5 -2.791 10.167 -3.689
35 H GLY 6 H GLY 6 -4.371 2.871 0.686
36 HA2 GLY 6 1HA GLY 6 -6.652 1.277 0.977
37 HA3 GLY 6 2HA GLY 6 -5.483 0.307 0.098
38 H PHE 7 H PHE 7 -4.992 -1.222 1.504
39 HA PHE 7 HA PHE 7 -4.662 -0.528 4.360
40 HB2 PHE 7 1HB PHE 7 -5.339 -3.014 2.794
41 HB3 PHE 7 2HB PHE 7 -4.689 -3.147 4.427
42 HD1 PHE 7 HD1 PHE 7 -6.912 -0.282 3.620
43 HD2 PHE 7 HD2 PHE 7 -6.672 -4.256 5.189
44 HE1 PHE 7 HE1 PHE 7 -9.090 0.015 4.699
45 HE2 PHE 7 HE2 PHE 7 -8.883 -3.975 6.229
46 HZ PHE 7 HZ PHE 7 -10.096 -1.830 6.003
47 H GLU 8 H GLU 8 -2.760 -1.735 1.660
48 HA GLU 8 HA GLU 8 -0.589 -2.878 3.130
49 HB2 GLU 8 1HB GLU 8 -0.939 -3.085 0.629
50 HB3 GLU 8 2HB GLU 8 -0.648 -1.358 0.474
51 HG2 GLU 8 1HG GLU 8 1.684 -1.844 1.572
52 HG3 GLU 8 2HG GLU 8 1.371 -3.523 1.126
53 HA PRO 9 HA PRO 9 1.136 0.869 4.882
54 HB2 PRO 9 1HB PRO 9 3.762 0.025 5.144
55 HB3 PRO 9 2HB PRO 9 2.455 -0.447 6.278
56 HG2 PRO 9 1HG PRO 9 3.541 -1.965 3.912
57 HG3 PRO 9 2HG PRO 9 3.238 -2.544 5.580
58 HD2 PRO 9 1HD PRO 9 1.489 -3.021 3.610
59 HD3 PRO 9 2HD PRO 9 0.904 -2.593 5.255
60 H GLY 10 H GLY 10 2.180 2.668 4.039
61 HA2 GLY 10 1HA GLY 10 3.125 3.893 2.220
62 HA3 GLY 10 2HA GLY 10 3.080 2.436 1.213
63 H VAL 11 H VAL 11 0.286 2.232 2.727
64 HA VAL 11 HA VAL 11 -1.880 2.717 2.388
65 HB VAL 11 HB VAL 11 -1.107 5.353 1.099
66 HG11 VAL 11 1HG1 VAL 11 -3.540 4.432 2.687
67 HG12 VAL 11 2HG1 VAL 11 -3.279 6.064 2.027
68 HG13 VAL 11 3HG1 VAL 11 -3.475 4.688 0.927
69 HG21 VAL 11 1HG2 VAL 11 -1.352 4.636 4.047
70 HG22 VAL 11 2HG2 VAL 11 0.089 5.260 3.208
71 HG23 VAL 11 3HG2 VAL 11 -1.333 6.297 3.411
72 H ARG 12 H ARG 12 -1.651 0.909 0.929
73 HA ARG 12 HA ARG 12 -2.603 1.666 -1.777
74 HB2 ARG 12 1HB ARG 12 -0.283 1.397 -2.142
75 HB3 ARG 12 2HB ARG 12 -0.191 -0.015 -1.104
76 HG2 ARG 12 1HG ARG 12 0.057 -0.725 -3.372
77 HG3 ARG 12 2HG ARG 12 -1.500 -1.316 -2.778
78 HD2 ARG 12 1HD ARG 12 -2.667 0.475 -3.905
79 HD3 ARG 12 2HD ARG 12 -1.142 1.213 -4.415
80 HE ARG 12 HE ARG 12 -1.021 -1.320 -5.477
81 HH11 ARG 12 1HH1 ARG 12 -3.489 1.205 -5.654
82 HH12 ARG 12 2HH1 ARG 12 -4.030 0.676 -7.240
83 HH21 ARG 12 1HH2 ARG 12 -1.773 -1.936 -7.462
84 HH22 ARG 12 2HH2 ARG 12 -3.075 -1.055 -8.243
85 H CYS 13 H CYS 13 -4.230 0.360 -2.551
86 HA CYS 13 HA CYS 13 -5.170 -1.808 -0.853
87 HB2 CYS 13 1HB CYS 13 -6.687 -0.401 -2.258
88 HB3 CYS 13 2HB CYS 13 -5.979 -1.153 -3.704
89 H LEU 14 H LEU 14 -4.302 -3.769 -0.747
90 HA LEU 14 HA LEU 14 -3.212 -4.964 -3.239
91 HB2 LEU 14 1HB LEU 14 -1.599 -3.912 -1.378
92 HB3 LEU 14 2HB LEU 14 -1.864 -5.460 -0.607
93 HG LEU 14 HG LEU 14 0.218 -5.380 -1.793
94 HD11 LEU 14 1HD1 LEU 14 0.045 -7.421 -3.111
95 HD12 LEU 14 2HD1 LEU 14 -0.950 -7.539 -1.644
96 HD13 LEU 14 3HD1 LEU 14 -1.719 -7.230 -3.219
97 HD21 LEU 14 1HD2 LEU 14 -1.350 -5.034 -4.371
98 HD22 LEU 14 2HD2 LEU 14 -0.442 -3.746 -3.544
99 HD23 LEU 14 3HD2 LEU 14 0.414 -5.162 -4.188
100 H ILE 15 H ILE 15 -4.133 -5.607 0.181
101 HA ILE 15 HA ILE 15 -5.398 -8.130 -0.782
102 HB ILE 15 HB ILE 15 -4.137 -7.657 1.952
103 HG12 ILE 15 1HG1 ILE 15 -3.174 -9.368 -0.363
104 HG13 ILE 15 2HG1 ILE 15 -2.472 -7.825 0.111
105 HG21 ILE 15 1HG2 ILE 15 -6.062 -9.163 2.012
106 HG22 ILE 15 2HG2 ILE 15 -5.390 -10.128 0.678
107 HG23 ILE 15 3HG2 ILE 15 -4.573 -10.087 2.260
108 HD11 ILE 15 1HD1 ILE 15 -1.923 -8.802 2.346
109 HD12 ILE 15 2HD1 ILE 15 -2.430 -10.387 1.711
110 HD13 ILE 15 3HD1 ILE 15 -1.066 -9.526 0.968
111 H TRP 16 H TRP 16 -7.499 -8.006 -0.673
112 HA TRP 16 HA TRP 16 -9.566 -7.044 -0.243
113 HB2 TRP 16 1HB TRP 16 -9.008 -8.081 2.524
114 HB3 TRP 16 2HB TRP 16 -10.502 -8.138 1.585
115 HD1 TRP 16 HD1 TRP 16 -8.009 -10.405 2.768
116 HE1 TRP 16 HE1 TRP 16 -7.671 -12.492 1.336
117 HE3 TRP 16 HE3 TRP 16 -10.537 -8.835 -1.374
118 HZ2 TRP 16 HZ2 TRP 16 -8.251 -13.268 -1.337
119 HZ3 TRP 16 HZ3 TRP 16 -10.618 -10.316 -3.354
120 HH2 TRP 16 HH2 TRP 16 -9.471 -12.507 -3.335
121 H CYS 17 H CYS 17 -8.447 -4.726 -0.305
122 HA CYS 17 HA CYS 17 -8.371 -3.406 2.267
123 HB2 CYS 17 1HB CYS 17 -7.967 -1.393 1.023
124 HB3 CYS 17 2HB CYS 17 -7.011 -2.708 0.321
125 H ASP 18 H ASP 18 -9.648 -1.566 2.878
126 HA ASP 18 HA ASP 18 -11.839 -0.997 3.616
127 HB2 ASP 18 1HB ASP 18 -10.922 0.796 2.188
128 HB3 ASP 18 2HB ASP 18 -11.567 0.002 0.747
129 HC ASP 18 HC ASP 18 -13.108 -2.379 1.155
Start of MODEL 18
1 H1 GLY 1 H GLY 1 3.476 -1.712 -0.665
2 HA2 GLY 1 1HA GLY 1 4.141 -0.227 -2.322
3 HA3 GLY 1 2HA GLY 1 2.434 -0.390 -2.705
4 H SER 2 H SER 2 2.362 1.592 -3.754
5 HA SER 2 HA SER 2 1.665 3.752 -1.941
6 HB2 SER 2 1HB SER 2 4.199 3.841 -2.211
7 HB3 SER 2 2HB SER 2 3.890 4.286 -3.902
8 HG SER 2 HG SER 2 2.574 6.026 -3.014
9 H ARG 3 H ARG 3 0.713 2.124 -4.363
10 HA ARG 3 HA ARG 3 -0.061 4.337 -6.159
11 HB2 ARG 3 1HB ARG 3 -0.880 1.432 -6.421
12 HB3 ARG 3 2HB ARG 3 -0.911 2.689 -7.652
13 HG2 ARG 3 1HG ARG 3 1.532 1.345 -6.461
14 HG3 ARG 3 2HG ARG 3 0.890 1.179 -8.098
15 HD2 ARG 3 1HD ARG 3 1.238 3.800 -8.165
16 HD3 ARG 3 2HD ARG 3 2.358 3.481 -6.839
17 HE ARG 3 HE ARG 3 3.827 2.448 -8.307
18 HH11 ARG 3 1HH1 ARG 3 0.767 2.972 -10.011
19 HH12 ARG 3 2HH1 ARG 3 1.463 2.501 -11.551
20 HH21 ARG 3 1HH2 ARG 3 4.627 1.915 -10.288
21 HH22 ARG 3 2HH2 ARG 3 3.598 1.934 -11.709
22 H GLY 4 H GLY 4 -2.658 2.424 -6.490
23 HA2 GLY 4 1HA GLY 4 -4.344 4.368 -5.291
24 HA3 GLY 4 2HA GLY 4 -4.869 2.781 -5.883
25 H TRP 5 H TRP 5 -5.383 4.524 -3.380
26 HA TRP 5 HA TRP 5 -3.863 3.576 -1.246
27 HB2 TRP 5 1HB TRP 5 -6.654 4.684 -0.959
28 HB3 TRP 5 2HB TRP 5 -5.261 4.944 0.088
29 HD1 TRP 5 HD1 TRP 5 -7.233 6.775 -2.301
30 HE1 TRP 5 HE1 TRP 5 -6.015 8.764 -3.338
31 HE3 TRP 5 HE3 TRP 5 -2.479 5.420 -1.057
32 HZ2 TRP 5 HZ2 TRP 5 -3.316 9.642 -3.579
33 HZ3 TRP 5 HZ3 TRP 5 -0.604 6.892 -1.718
34 HH2 TRP 5 HH2 TRP 5 -1.026 8.985 -2.967
35 H GLY 6 H GLY 6 -4.270 2.362 0.627
36 HA2 GLY 6 1HA GLY 6 -6.678 1.146 1.312
37 HA3 GLY 6 2HA GLY 6 -5.858 0.007 0.250
38 H PHE 7 H PHE 7 -4.819 -1.525 1.250
39 HA PHE 7 HA PHE 7 -4.067 -1.330 4.064
40 HB2 PHE 7 1HB PHE 7 -4.253 -3.402 1.930
41 HB3 PHE 7 2HB PHE 7 -3.071 -3.718 3.193
42 HD1 PHE 7 HD1 PHE 7 -6.644 -2.743 2.767
43 HD2 PHE 7 HD2 PHE 7 -3.728 -4.664 5.221
44 HE1 PHE 7 HE1 PHE 7 -8.450 -3.651 4.190
45 HE2 PHE 7 HE2 PHE 7 -5.515 -5.518 6.687
46 HZ PHE 7 HZ PHE 7 -7.883 -5.034 6.163
47 H GLU 8 H GLU 8 -1.605 -2.862 3.927
48 HA GLU 8 HA GLU 8 0.633 -2.716 3.587
49 HB2 GLU 8 1HB GLU 8 0.057 -2.797 1.177
50 HB3 GLU 8 2HB GLU 8 -0.170 -1.061 1.158
51 HG2 GLU 8 1HG GLU 8 2.473 -1.385 2.150
52 HG3 GLU 8 2HG GLU 8 2.310 -2.595 0.885
53 HA PRO 9 HA PRO 9 1.879 1.220 5.406
54 HB2 PRO 9 1HB PRO 9 4.578 0.657 5.521
55 HB3 PRO 9 2HB PRO 9 3.405 0.060 6.739
56 HG2 PRO 9 1HG PRO 9 4.529 -1.361 4.336
57 HG3 PRO 9 2HG PRO 9 4.363 -1.947 6.019
58 HD2 PRO 9 1HD PRO 9 2.605 -2.609 4.085
59 HD3 PRO 9 2HD PRO 9 2.067 -2.332 5.777
60 H GLY 10 H GLY 10 2.091 2.973 4.168
61 HA2 GLY 10 1HA GLY 10 3.153 4.211 2.350
62 HA3 GLY 10 2HA GLY 10 3.376 2.682 1.485
63 H VAL 11 H VAL 11 0.560 2.052 2.699
64 HA VAL 11 HA VAL 11 -1.618 2.264 2.255
65 HB VAL 11 HB VAL 11 -1.134 5.018 1.085
66 HG11 VAL 11 1HG1 VAL 11 -3.406 5.423 1.909
67 HG12 VAL 11 2HG1 VAL 11 -3.384 4.030 0.808
68 HG13 VAL 11 3HG1 VAL 11 -3.484 3.768 2.565
69 HG21 VAL 11 1HG2 VAL 11 -0.018 5.012 3.235
70 HG22 VAL 11 2HG2 VAL 11 -1.580 5.827 3.426
71 HG23 VAL 11 3HG2 VAL 11 -1.381 4.153 3.994
72 H ARG 12 H ARG 12 -1.617 0.604 0.864
73 HA ARG 12 HA ARG 12 -2.334 1.306 -1.923
74 HB2 ARG 12 1HB ARG 12 0.010 0.679 -2.073
75 HB3 ARG 12 2HB ARG 12 -0.266 -0.721 -1.037
76 HG2 ARG 12 1HG ARG 12 0.007 -1.569 -3.195
77 HG3 ARG 12 2HG ARG 12 -1.712 -1.716 -2.820
78 HD2 ARG 12 1HD ARG 12 -2.161 0.337 -4.123
79 HD3 ARG 12 2HD ARG 12 -0.436 0.469 -4.494
80 HE ARG 12 HE ARG 12 -2.389 -1.362 -5.666
81 HH11 ARG 12 1HH1 ARG 12 1.075 -0.842 -5.178
82 HH12 ARG 12 2HH1 ARG 12 1.492 -1.847 -6.559
83 HH21 ARG 12 1HH2 ARG 12 -1.773 -2.654 -7.337
84 HH22 ARG 12 2HH2 ARG 12 -0.078 -2.865 -7.739
85 H CYS 13 H CYS 13 -4.190 0.294 -2.483
86 HA CYS 13 HA CYS 13 -5.389 -1.801 -0.931
87 HB2 CYS 13 1HB CYS 13 -6.592 -0.311 -2.569
88 HB3 CYS 13 2HB CYS 13 -5.808 -1.208 -3.882
89 H LEU 14 H LEU 14 -4.394 -3.666 -0.571
90 HA LEU 14 HA LEU 14 -2.999 -5.005 -2.846
91 HB2 LEU 14 1HB LEU 14 -1.741 -3.909 -0.784
92 HB3 LEU 14 2HB LEU 14 -2.248 -5.355 0.052
93 HG LEU 14 HG LEU 14 0.033 -5.486 -0.648
94 HD11 LEU 14 1HD1 LEU 14 0.047 -7.627 -1.805
95 HD12 LEU 14 2HD1 LEU 14 -1.257 -7.583 -0.601
96 HD13 LEU 14 3HD1 LEU 14 -1.634 -7.386 -2.329
97 HD21 LEU 14 1HD2 LEU 14 0.756 -5.498 -2.953
98 HD22 LEU 14 2HD2 LEU 14 -0.915 -5.295 -3.523
99 HD23 LEU 14 3HD2 LEU 14 -0.118 -3.990 -2.612
100 H ILE 15 H ILE 15 -4.560 -5.499 0.347
101 HA ILE 15 HA ILE 15 -5.789 -7.979 -0.763
102 HB ILE 15 HB ILE 15 -5.112 -7.438 2.161
103 HG12 ILE 15 1HG1 ILE 15 -3.797 -9.353 0.208
104 HG13 ILE 15 2HG1 ILE 15 -3.104 -7.822 0.730
105 HG21 ILE 15 1HG2 ILE 15 -7.122 -8.812 1.820
106 HG22 ILE 15 2HG2 ILE 15 -6.220 -9.900 0.742
107 HG23 ILE 15 3HG2 ILE 15 -5.805 -9.801 2.471
108 HD11 ILE 15 1HD1 ILE 15 -2.049 -9.551 1.972
109 HD12 ILE 15 2HD1 ILE 15 -3.103 -8.646 3.080
110 HD13 ILE 15 3HD1 ILE 15 -3.609 -10.240 2.468
111 H TRP 16 H TRP 16 -7.822 -7.592 -1.159
112 HA TRP 16 HA TRP 16 -9.742 -6.242 -1.225
113 HB2 TRP 16 1HB TRP 16 -10.287 -7.570 1.396
114 HB3 TRP 16 2HB TRP 16 -11.286 -7.451 -0.053
115 HD1 TRP 16 HD1 TRP 16 -9.359 -9.902 1.819
116 HE1 TRP 16 HE1 TRP 16 -8.689 -11.957 0.460
117 HE3 TRP 16 HE3 TRP 16 -10.453 -8.071 -2.814
118 HZ2 TRP 16 HZ2 TRP 16 -8.515 -12.639 -2.295
119 HZ3 TRP 16 HZ3 TRP 16 -10.012 -9.493 -4.792
120 HH2 TRP 16 HH2 TRP 16 -9.044 -11.754 -4.529
121 H CYS 17 H CYS 17 -8.870 -4.093 -0.922
122 HA CYS 17 HA CYS 17 -8.877 -2.936 1.730
123 HB2 CYS 17 1HB CYS 17 -8.556 -0.812 0.503
124 HB3 CYS 17 2HB CYS 17 -7.420 -2.074 0.009
125 H ASP 18 H ASP 18 -10.170 -1.033 2.328
126 HA ASP 18 HA ASP 18 -12.976 -1.541 2.186
127 HB2 ASP 18 1HB ASP 18 -11.870 -0.228 4.030
128 HB3 ASP 18 2HB ASP 18 -11.585 1.089 2.883
129 HC ASP 18 HC ASP 18 -13.639 -0.425 0.153
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.969 -2.011 -0.855
2 HA2 GLY 1 1HA GLY 1 3.752 -0.641 -2.553
3 HA3 GLY 1 2HA GLY 1 2.027 -0.545 -2.881
4 H SER 2 H SER 2 2.043 1.429 -3.820
5 HA SER 2 HA SER 2 2.144 3.732 -2.019
6 HB2 SER 2 1HB SER 2 4.130 3.351 -4.282
7 HB3 SER 2 2HB SER 2 3.801 4.906 -3.501
8 HG SER 2 HG SER 2 4.283 2.932 -1.685
9 H ARG 3 H ARG 3 1.054 2.233 -4.846
10 HA ARG 3 HA ARG 3 0.618 4.571 -6.447
11 HB2 ARG 3 1HB ARG 3 -0.630 1.823 -6.759
12 HB3 ARG 3 2HB ARG 3 -0.445 3.056 -8.004
13 HG2 ARG 3 1HG ARG 3 1.756 1.436 -6.672
14 HG3 ARG 3 2HG ARG 3 1.164 1.302 -8.332
15 HD2 ARG 3 1HD ARG 3 1.834 3.845 -8.453
16 HD3 ARG 3 2HD ARG 3 2.881 3.430 -7.087
17 HE ARG 3 HE ARG 3 3.407 1.443 -8.916
18 HH11 ARG 3 1HH1 ARG 3 3.513 4.974 -9.136
19 HH12 ARG 3 2HH1 ARG 3 4.717 4.930 -10.413
20 HH21 ARG 3 1HH2 ARG 3 4.935 1.478 -10.499
21 HH22 ARG 3 2HH2 ARG 3 5.516 2.999 -11.156
22 H GLY 4 H GLY 4 -2.081 2.371 -5.714
23 HA2 GLY 4 1HA GLY 4 -3.811 4.763 -5.514
24 HA3 GLY 4 2HA GLY 4 -4.355 3.074 -5.640
25 H TRP 5 H TRP 5 -5.796 3.784 -3.730
26 HA TRP 5 HA TRP 5 -4.213 3.961 -1.229
27 HB2 TRP 5 1HB TRP 5 -7.143 4.454 -1.209
28 HB3 TRP 5 2HB TRP 5 -5.840 5.285 -0.358
29 HD1 TRP 5 HD1 TRP 5 -8.234 5.855 -3.066
30 HE1 TRP 5 HE1 TRP 5 -7.617 7.854 -4.528
31 HE3 TRP 5 HE3 TRP 5 -3.370 6.304 -1.630
32 HZ2 TRP 5 HZ2 TRP 5 -5.325 9.506 -4.920
33 HZ3 TRP 5 HZ3 TRP 5 -2.001 8.137 -2.584
34 HH2 TRP 5 HH2 TRP 5 -2.982 9.726 -4.205
35 H GLY 6 H GLY 6 -4.606 2.712 0.595
36 HA2 GLY 6 1HA GLY 6 -6.872 1.188 1.127
37 HA3 GLY 6 2HA GLY 6 -5.798 0.132 0.199
38 H PHE 7 H PHE 7 -5.303 -1.304 1.865
39 HA PHE 7 HA PHE 7 -4.108 -0.302 4.340
40 HB2 PHE 7 1HB PHE 7 -4.119 -3.117 3.187
41 HB3 PHE 7 2HB PHE 7 -3.735 -2.657 4.852
42 HD1 PHE 7 HD1 PHE 7 -6.064 -0.609 5.148
43 HD2 PHE 7 HD2 PHE 7 -5.873 -4.625 3.693
44 HE1 PHE 7 HE1 PHE 7 -8.410 -0.951 5.797
45 HE2 PHE 7 HE2 PHE 7 -8.210 -4.983 4.376
46 HZ PHE 7 HZ PHE 7 -9.493 -3.144 5.421
47 H GLU 8 H GLU 8 -2.029 -2.651 3.909
48 HA GLU 8 HA GLU 8 0.191 -2.763 3.443
49 HB2 GLU 8 1HB GLU 8 -0.519 -2.648 1.067
50 HB3 GLU 8 2HB GLU 8 -0.524 -0.898 1.141
51 HG2 GLU 8 1HG GLU 8 2.090 -1.503 1.958
52 HG3 GLU 8 2HG GLU 8 1.755 -2.739 0.752
53 HA PRO 9 HA PRO 9 1.963 0.902 5.385
54 HB2 PRO 9 1HB PRO 9 4.587 0.050 5.331
55 HB3 PRO 9 2HB PRO 9 3.414 -0.509 6.567
56 HG2 PRO 9 1HG PRO 9 4.283 -1.862 4.023
57 HG3 PRO 9 2HG PRO 9 4.119 -2.548 5.668
58 HD2 PRO 9 1HD PRO 9 2.228 -2.875 3.765
59 HD3 PRO 9 2HD PRO 9 1.793 -2.694 5.498
60 H GLY 10 H GLY 10 1.990 2.600 4.054
61 HA2 GLY 10 1HA GLY 10 3.251 3.788 2.248
62 HA3 GLY 10 2HA GLY 10 3.216 2.266 1.350
63 H VAL 11 H VAL 11 0.362 2.048 2.702
64 HA VAL 11 HA VAL 11 -1.790 2.528 2.217
65 HB VAL 11 HB VAL 11 -0.822 5.190 1.102
66 HG11 VAL 11 1HG1 VAL 11 -3.130 5.916 1.698
67 HG12 VAL 11 2HG1 VAL 11 -3.103 4.683 0.426
68 HG13 VAL 11 3HG1 VAL 11 -3.536 4.230 2.093
69 HG21 VAL 11 1HG2 VAL 11 -1.661 4.387 3.916
70 HG22 VAL 11 2HG2 VAL 11 -0.053 4.950 3.399
71 HG23 VAL 11 3HG2 VAL 11 -1.434 6.061 3.359
72 H ARG 12 H ARG 12 -1.836 0.827 0.789
73 HA ARG 12 HA ARG 12 -2.783 1.619 -1.853
74 HB2 ARG 12 1HB ARG 12 -0.149 1.213 -1.792
75 HB3 ARG 12 2HB ARG 12 -0.632 -0.477 -1.881
76 HG2 ARG 12 1HG ARG 12 -1.261 1.720 -3.867
77 HG3 ARG 12 2HG ARG 12 -0.071 0.429 -4.060
78 HD2 ARG 12 1HD ARG 12 -2.051 -1.198 -3.813
79 HD3 ARG 12 2HD ARG 12 -3.080 0.216 -4.062
80 HE ARG 12 HE ARG 12 -2.493 0.272 -6.300
81 HH11 ARG 12 1HH1 ARG 12 -0.360 -2.032 -4.663
82 HH12 ARG 12 2HH1 ARG 12 0.299 -2.613 -6.183
83 HH21 ARG 12 1HH2 ARG 12 -1.684 -0.581 -8.158
84 HH22 ARG 12 2HH2 ARG 12 -0.447 -1.828 -8.114
85 H CYS 13 H CYS 13 -4.477 0.286 -2.356
86 HA CYS 13 HA CYS 13 -5.238 -1.876 -0.667
87 HB2 CYS 13 1HB CYS 13 -6.704 -0.520 -2.234
88 HB3 CYS 13 2HB CYS 13 -6.033 -1.469 -3.571
89 H LEU 14 H LEU 14 -4.247 -3.758 -0.421
90 HA LEU 14 HA LEU 14 -2.930 -5.009 -2.795
91 HB2 LEU 14 1HB LEU 14 -2.003 -4.403 -0.074
92 HB3 LEU 14 2HB LEU 14 -1.824 -6.100 -0.472
93 HG LEU 14 HG LEU 14 0.210 -4.829 -0.802
94 HD11 LEU 14 1HD1 LEU 14 -0.240 -6.862 -2.130
95 HD12 LEU 14 2HD1 LEU 14 -0.925 -5.856 -3.426
96 HD13 LEU 14 3HD1 LEU 14 0.793 -5.707 -2.994
97 HD21 LEU 14 1HD2 LEU 14 -0.782 -2.677 -1.495
98 HD22 LEU 14 2HD2 LEU 14 0.502 -3.233 -2.592
99 HD23 LEU 14 3HD2 LEU 14 -1.207 -3.395 -3.065
100 H ILE 15 H ILE 15 -4.470 -5.683 0.379
101 HA ILE 15 HA ILE 15 -5.596 -8.168 -0.831
102 HB ILE 15 HB ILE 15 -4.888 -7.713 2.102
103 HG12 ILE 15 1HG1 ILE 15 -3.543 -9.506 0.054
104 HG13 ILE 15 2HG1 ILE 15 -2.898 -7.967 0.612
105 HG21 ILE 15 1HG2 ILE 15 -6.849 -9.159 1.740
106 HG22 ILE 15 2HG2 ILE 15 -5.910 -10.176 0.624
107 HG23 ILE 15 3HG2 ILE 15 -5.481 -10.102 2.350
108 HD11 ILE 15 1HD1 ILE 15 -3.267 -10.464 2.273
109 HD12 ILE 15 2HD1 ILE 15 -1.748 -9.688 1.775
110 HD13 ILE 15 3HD1 ILE 15 -2.818 -8.871 2.936
111 H TRP 16 H TRP 16 -7.665 -7.918 -1.140
112 HA TRP 16 HA TRP 16 -9.538 -6.427 -1.193
113 HB2 TRP 16 1HB TRP 16 -10.560 -7.916 1.083
114 HB3 TRP 16 2HB TRP 16 -11.030 -7.934 -0.612
115 HD1 TRP 16 HD1 TRP 16 -9.495 -10.071 1.963
116 HE1 TRP 16 HE1 TRP 16 -8.452 -12.191 0.994
117 HE3 TRP 16 HE3 TRP 16 -9.560 -8.704 -2.949
118 HZ2 TRP 16 HZ2 TRP 16 -7.653 -13.106 -1.580
119 HZ3 TRP 16 HZ3 TRP 16 -8.621 -10.257 -4.633
120 HH2 TRP 16 HH2 TRP 16 -7.673 -12.436 -3.946
121 H CYS 17 H CYS 17 -8.784 -4.361 -0.586
122 HA CYS 17 HA CYS 17 -8.777 -3.592 2.201
123 HB2 CYS 17 1HB CYS 17 -8.428 -1.321 1.294
124 HB3 CYS 17 2HB CYS 17 -7.311 -2.515 0.614
125 H ASP 18 H ASP 18 -10.037 -1.779 3.046
126 HA ASP 18 HA ASP 18 -12.659 -2.123 3.474
127 HB2 ASP 18 1HB ASP 18 -11.306 -0.210 4.379
128 HB3 ASP 18 2HB ASP 18 -11.467 0.617 2.824
129 HC ASP 18 HC ASP 18 -12.688 -1.127 0.592
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.483 1.041 -0.479
2 HA2 GLY 1 1HA GLY 1 2.691 -1.339 -1.338
3 HA3 GLY 1 2HA GLY 1 0.951 -1.442 -1.740
4 H SER 2 H SER 2 1.383 -1.246 -4.023
5 HA SER 2 HA SER 2 2.805 1.188 -4.888
6 HB2 SER 2 1HB SER 2 1.817 -1.250 -6.403
7 HB3 SER 2 2HB SER 2 2.782 0.071 -7.085
8 HG SER 2 HG SER 2 4.133 -1.631 -6.457
9 H ARG 3 H ARG 3 -0.471 0.030 -4.786
10 HA ARG 3 HA ARG 3 -1.266 1.588 -7.138
11 HB2 ARG 3 1HB ARG 3 -3.087 -0.004 -5.327
12 HB3 ARG 3 2HB ARG 3 -3.310 0.401 -7.028
13 HG2 ARG 3 1HG ARG 3 -1.349 -1.597 -5.861
14 HG3 ARG 3 2HG ARG 3 -2.788 -1.938 -6.825
15 HD2 ARG 3 1HD ARG 3 -1.732 -0.678 -8.724
16 HD3 ARG 3 2HD ARG 3 -0.266 -0.520 -7.747
17 HE ARG 3 HE ARG 3 -1.053 -3.267 -7.911
18 HH11 ARG 3 1HH1 ARG 3 0.500 -0.741 -9.841
19 HH12 ARG 3 2HH1 ARG 3 1.398 -1.913 -10.790
20 HH21 ARG 3 1HH2 ARG 3 0.106 -4.674 -9.158
21 HH22 ARG 3 2HH2 ARG 3 1.181 -4.085 -10.415
22 H GLY 4 H GLY 4 -4.024 2.082 -6.199
23 HA2 GLY 4 1HA GLY 4 -3.567 4.741 -5.191
24 HA3 GLY 4 2HA GLY 4 -5.138 3.948 -5.410
25 H TRP 5 H TRP 5 -5.036 5.508 -3.247
26 HA TRP 5 HA TRP 5 -3.776 4.627 -0.941
27 HB2 TRP 5 1HB TRP 5 -6.561 5.785 -0.947
28 HB3 TRP 5 2HB TRP 5 -5.284 6.014 0.248
29 HD1 TRP 5 HD1 TRP 5 -6.826 7.703 -2.649
30 HE1 TRP 5 HE1 TRP 5 -5.471 9.724 -3.422
31 HE3 TRP 5 HE3 TRP 5 -2.521 6.664 -0.136
32 HZ2 TRP 5 HZ2 TRP 5 -2.860 10.766 -2.955
33 HZ3 TRP 5 HZ3 TRP 5 -0.637 8.274 -0.269
34 HH2 TRP 5 HH2 TRP 5 -0.805 10.291 -1.689
35 H GLY 6 H GLY 6 -4.260 3.317 0.830
36 HA2 GLY 6 1HA GLY 6 -6.721 2.335 1.545
37 HA3 GLY 6 2HA GLY 6 -6.160 1.176 0.346
38 H PHE 7 H PHE 7 -5.553 -0.595 1.281
39 HA PHE 7 HA PHE 7 -4.491 -0.645 4.016
40 HB2 PHE 7 1HB PHE 7 -5.395 -2.630 1.943
41 HB3 PHE 7 2HB PHE 7 -4.332 -3.197 3.223
42 HD1 PHE 7 HD1 PHE 7 -6.955 -0.574 3.726
43 HD2 PHE 7 HD2 PHE 7 -5.806 -4.656 4.294
44 HE1 PHE 7 HE1 PHE 7 -8.853 -0.894 5.245
45 HE2 PHE 7 HE2 PHE 7 -7.730 -4.985 5.792
46 HZ PHE 7 HZ PHE 7 -9.260 -3.104 6.279
47 H GLU 8 H GLU 8 -2.632 -2.691 3.898
48 HA GLU 8 HA GLU 8 -0.439 -3.101 3.646
49 HB2 GLU 8 1HB GLU 8 -0.388 -3.443 1.403
50 HB3 GLU 8 2HB GLU 8 -1.093 -1.904 0.991
51 HG2 GLU 8 1HG GLU 8 1.780 -2.023 1.980
52 HG3 GLU 8 2HG GLU 8 1.377 -2.427 0.329
53 HA PRO 9 HA PRO 9 1.433 0.271 5.779
54 HB2 PRO 9 1HB PRO 9 4.090 -0.457 5.605
55 HB3 PRO 9 2HB PRO 9 2.927 -1.253 6.714
56 HG2 PRO 9 1HG PRO 9 3.811 -2.123 3.962
57 HG3 PRO 9 2HG PRO 9 3.736 -3.081 5.476
58 HD2 PRO 9 1HD PRO 9 1.779 -3.237 3.656
59 HD3 PRO 9 2HD PRO 9 1.385 -3.206 5.408
60 H GLY 10 H GLY 10 1.636 2.241 4.982
61 HA2 GLY 10 1HA GLY 10 2.855 3.793 3.448
62 HA3 GLY 10 2HA GLY 10 2.711 2.533 2.210
63 H VAL 11 H VAL 11 -0.046 2.014 3.608
64 HA VAL 11 HA VAL 11 -2.220 2.571 3.317
65 HB VAL 11 HB VAL 11 -1.497 5.477 2.866
66 HG11 VAL 11 1HG1 VAL 11 -3.816 4.093 4.278
67 HG12 VAL 11 2HG1 VAL 11 -3.609 5.848 4.084
68 HG13 VAL 11 3HG1 VAL 11 -3.875 4.828 2.660
69 HG21 VAL 11 1HG2 VAL 11 -0.172 4.873 4.796
70 HG22 VAL 11 2HG2 VAL 11 -1.609 5.737 5.365
71 HG23 VAL 11 3HG2 VAL 11 -1.531 3.965 5.505
72 H ARG 12 H ARG 12 -0.955 1.541 1.188
73 HA ARG 12 HA ARG 12 -2.538 2.731 -1.027
74 HB2 ARG 12 1HB ARG 12 0.396 2.217 -1.017
75 HB3 ARG 12 2HB ARG 12 -0.508 1.738 -2.457
76 HG2 ARG 12 1HG ARG 12 0.192 3.839 -3.003
77 HG3 ARG 12 2HG ARG 12 -1.443 4.162 -2.409
78 HD2 ARG 12 1HD ARG 12 -0.610 4.996 -0.331
79 HD3 ARG 12 2HD ARG 12 1.007 4.357 -0.639
80 HE ARG 12 HE ARG 12 -0.168 6.824 -1.684
81 HH11 ARG 12 1HH1 ARG 12 2.442 4.475 -2.161
82 HH12 ARG 12 2HH1 ARG 12 3.416 5.630 -3.057
83 HH21 ARG 12 1HH2 ARG 12 1.103 8.192 -2.831
84 HH22 ARG 12 2HH2 ARG 12 2.666 7.675 -3.451
85 H CYS 13 H CYS 13 -3.944 1.251 -1.679
86 HA CYS 13 HA CYS 13 -4.058 -1.275 -0.431
87 HB2 CYS 13 1HB CYS 13 -5.993 -0.006 -1.396
88 HB3 CYS 13 2HB CYS 13 -5.406 -0.405 -3.012
89 H LEU 14 H LEU 14 -3.173 -3.171 -0.781
90 HA LEU 14 HA LEU 14 -2.205 -3.809 -3.528
91 HB2 LEU 14 1HB LEU 14 -0.576 -3.308 -1.450
92 HB3 LEU 14 2HB LEU 14 -0.908 -4.989 -1.096
93 HG LEU 14 HG LEU 14 1.199 -4.630 -2.246
94 HD11 LEU 14 1HD1 LEU 14 0.026 -6.778 -2.526
95 HD12 LEU 14 2HD1 LEU 14 -0.770 -6.152 -3.988
96 HD13 LEU 14 3HD1 LEU 14 0.995 -6.358 -3.952
97 HD21 LEU 14 1HD2 LEU 14 0.350 -2.668 -3.625
98 HD22 LEU 14 2HD2 LEU 14 1.414 -3.826 -4.458
99 HD23 LEU 14 3HD2 LEU 14 -0.340 -3.868 -4.738
100 H ILE 15 H ILE 15 -3.309 -5.114 -0.382
101 HA ILE 15 HA ILE 15 -4.546 -7.374 -1.880
102 HB ILE 15 HB ILE 15 -3.389 -7.481 0.938
103 HG12 ILE 15 1HG1 ILE 15 -2.372 -8.728 -1.637
104 HG13 ILE 15 2HG1 ILE 15 -1.659 -7.326 -0.849
105 HG21 ILE 15 1HG2 ILE 15 -4.613 -9.635 -0.840
106 HG22 ILE 15 2HG2 ILE 15 -3.879 -9.906 0.760
107 HG23 ILE 15 3HG2 ILE 15 -5.346 -8.927 0.618
108 HD11 ILE 15 1HD1 ILE 15 -1.719 -10.152 0.216
109 HD12 ILE 15 2HD1 ILE 15 -0.314 -9.193 -0.296
110 HD13 ILE 15 3HD1 ILE 15 -1.209 -8.735 1.168
111 H TRP 16 H TRP 16 -6.633 -7.350 -1.773
112 HA TRP 16 HA TRP 16 -8.676 -6.309 -1.292
113 HB2 TRP 16 1HB TRP 16 -8.511 -8.068 1.119
114 HB3 TRP 16 2HB TRP 16 -9.810 -7.871 -0.057
115 HD1 TRP 16 HD1 TRP 16 -7.481 -10.371 0.985
116 HE1 TRP 16 HE1 TRP 16 -6.844 -12.073 -0.809
117 HE3 TRP 16 HE3 TRP 16 -9.271 -7.832 -3.063
118 HZ2 TRP 16 HZ2 TRP 16 -6.973 -12.223 -3.644
119 HZ3 TRP 16 HZ3 TRP 16 -8.977 -8.821 -5.312
120 HH2 TRP 16 HH2 TRP 16 -7.830 -10.993 -5.596
121 H CYS 17 H CYS 17 -8.120 -4.096 -0.767
122 HA CYS 17 HA CYS 17 -8.073 -3.364 2.043
123 HB2 CYS 17 1HB CYS 17 -8.667 -1.054 0.946
124 HB3 CYS 17 2HB CYS 17 -7.049 -1.741 0.780
125 H ASP 18 H ASP 18 -9.686 -2.072 3.123
126 HA ASP 18 HA ASP 18 -12.389 -2.953 2.850
127 HB2 ASP 18 1HB ASP 18 -11.469 -1.921 4.946
128 HB3 ASP 18 2HB ASP 18 -11.363 -0.365 4.112
129 HC ASP 18 HC ASP 18 -13.331 -1.479 1.183