NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620329 |
5ug3   |
30225 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 HT1 ILE 1 -9.140 -7.392 -1.657
2 H2 ILE 1 HT2 ILE 1 -10.243 -6.753 -0.550
3 H3 ILE 1 HT3 ILE 1 -8.594 -6.424 -0.384
4 HA ILE 1 HA ILE 1 -8.589 -5.191 -2.440
5 HB ILE 1 HB ILE 1 -11.572 -5.599 -2.425
6 HG12 ILE 1 HG12 ILE 1 -9.482 -6.726 -4.304
7 HG13 ILE 1 HG11 ILE 1 -10.373 -7.653 -3.103
8 HG21 ILE 1 HG21 ILE 1 -10.899 -3.427 -3.290
9 HG22 ILE 1 HG22 ILE 1 -11.496 -4.449 -4.597
10 HG23 ILE 1 HG23 ILE 1 -9.763 -4.204 -4.393
11 HD11 ILE 1 HD11 ILE 1 -11.274 -7.985 -5.329
12 HD12 ILE 1 HD12 ILE 1 -11.557 -6.251 -5.485
13 HD13 ILE 1 HD13 ILE 1 -12.450 -7.186 -4.287
14 H ARG 2 HN ARG 2 -7.862 -3.864 -0.849
15 HA ARG 2 HA ARG 2 -9.422 -1.628 -0.163
16 HB2 ARG 2 HB2 ARG 2 -10.269 -3.392 1.482
17 HB3 ARG 2 HB1 ARG 2 -8.668 -3.355 2.199
18 HG2 ARG 2 HG2 ARG 2 -10.095 -1.988 3.514
19 HG3 ARG 2 HG1 ARG 2 -8.993 -0.925 2.640
20 HD2 ARG 2 HD2 ARG 2 -11.720 -1.573 1.572
21 HD3 ARG 2 HD1 ARG 2 -11.482 -0.288 2.751
22 HE ARG 2 HE ARG 2 -9.703 0.390 0.877
23 HH11 ARG 2 HH11 ARG 2 -13.049 -0.611 0.571
24 HH12 ARG 2 HH12 ARG 2 -13.349 0.392 -0.811
25 HH21 ARG 2 HH21 ARG 2 -10.091 1.711 -0.907
26 HH22 ARG 2 HH22 ARG 2 -11.657 1.706 -1.669
27 H ASP 3 HN ASP 3 -7.133 -1.799 -1.494
28 HA ASP 3 HA ASP 3 -4.813 -1.749 0.230
29 HB2 ASP 3 HB2 ASP 3 -5.025 -1.194 -2.739
30 HB3 ASP 3 HB1 ASP 3 -3.536 -1.437 -1.835
31 H GLU 4 HN GLU 4 -5.853 0.126 1.408
32 HA GLU 4 HA GLU 4 -5.997 2.676 0.178
33 HB2 GLU 4 HB2 GLU 4 -5.656 2.012 3.109
34 HB3 GLU 4 HB1 GLU 4 -6.189 3.554 2.452
35 HG2 GLU 4 HG2 GLU 4 -7.645 0.926 2.306
36 HG3 GLU 4 HG1 GLU 4 -8.084 2.335 3.271
37 H CYS 5 HN CYS 5 -3.477 0.911 1.827
38 HA CYS 5 HA CYS 5 -1.705 3.102 2.160
39 HB2 CYS 5 HB2 CYS 5 -1.711 0.262 2.720
40 HB3 CYS 5 HB1 CYS 5 -0.152 0.791 2.108
41 H CYS 6 HN CYS 6 -2.616 1.401 -0.610
42 HA CYS 6 HA CYS 6 -0.215 1.450 -2.090
43 HB2 CYS 6 HB2 CYS 6 -2.193 0.200 -2.827
44 HB3 CYS 6 HB1 CYS 6 -3.077 1.707 -3.037
45 H SER 7 HN SER 7 -2.575 3.915 -1.318
46 HA SER 7 HA SER 7 -1.452 5.800 -3.223
47 HB2 SER 7 HB2 SER 7 -3.918 5.687 -2.728
48 HB3 SER 7 HB1 SER 7 -3.568 6.270 -1.103
49 HG SER 7 HG SER 7 -3.065 8.218 -1.880
50 H ASN 8 HN ASN 8 0.018 4.626 -0.897
51 HA ASN 8 HA ASN 8 0.957 7.128 0.329
52 HB2 ASN 8 HB2 ASN 8 0.500 4.471 1.677
53 HB3 ASN 8 HB1 ASN 8 1.347 5.818 2.419
54 HD21 ASN 8 HD21 ASN 8 -1.750 4.665 1.287
55 HD22 ASN 8 HD22 ASN 8 -2.707 5.785 2.188
56 HA PRO 9 HA PRO 9 4.534 5.258 -1.623
57 HB2 PRO 9 HB2 PRO 9 6.283 7.278 -1.069
58 HB3 PRO 9 HB1 PRO 9 5.098 7.358 -2.377
59 HG2 PRO 9 HG2 PRO 9 4.922 8.491 0.388
60 HG3 PRO 9 HG1 PRO 9 4.535 9.265 -1.161
61 HD2 PRO 9 HD2 PRO 9 2.619 8.246 0.398
62 HD3 PRO 9 HD1 PRO 9 2.521 8.126 -1.368
63 H VAL 10 HN VAL 10 4.088 6.085 1.654
64 HA VAL 10 HA VAL 10 6.643 5.049 2.559
65 HB VAL 10 HB VAL 10 4.210 5.736 4.222
66 HG11 VAL 10 HG11 VAL 10 7.128 5.509 4.945
67 HG12 VAL 10 HG12 VAL 10 5.854 4.371 5.382
68 HG13 VAL 10 HG13 VAL 10 5.834 6.010 6.034
69 HG21 VAL 10 HG21 VAL 10 6.530 7.503 3.457
70 HG22 VAL 10 HG22 VAL 10 5.238 7.922 4.578
71 HG23 VAL 10 HG23 VAL 10 4.874 7.661 2.875
72 H CYS 11 HN CYS 11 3.316 3.948 2.245
73 HA CYS 11 HA CYS 11 3.762 1.513 3.658
74 HB2 CYS 11 HB2 CYS 11 1.605 2.260 1.683
75 HB3 CYS 11 HB1 CYS 11 1.605 0.851 2.719
76 H ARG 12 HN ARG 12 3.534 2.437 0.222
77 HA ARG 12 HA ARG 12 3.866 -0.219 -0.634
78 HB2 ARG 12 HB2 ARG 12 4.165 0.821 -2.929
79 HB3 ARG 12 HB1 ARG 12 2.625 1.062 -2.116
80 HG2 ARG 12 HG2 ARG 12 3.446 3.223 -1.336
81 HG3 ARG 12 HG1 ARG 12 4.902 3.000 -2.306
82 HD2 ARG 12 HD2 ARG 12 3.350 2.691 -4.290
83 HD3 ARG 12 HD1 ARG 12 2.059 3.275 -3.240
84 HE ARG 12 HE ARG 12 4.374 4.995 -3.405
85 HH11 ARG 12 HH11 ARG 12 1.208 4.251 -4.693
86 HH12 ARG 12 HH12 ARG 12 1.003 5.813 -5.418
87 HH21 ARG 12 HH21 ARG 12 4.105 7.047 -4.360
88 HH22 ARG 12 HH22 ARG 12 2.645 7.404 -5.226
89 H VAL 13 HN VAL 13 6.121 2.114 0.264
90 HA VAL 13 HA VAL 13 8.309 1.091 -1.231
91 HB VAL 13 HB VAL 13 8.333 3.358 -0.325
92 HG11 VAL 13 HG11 VAL 13 8.561 2.115 2.395
93 HG12 VAL 13 HG12 VAL 13 7.046 2.720 1.722
94 HG13 VAL 13 HG13 VAL 13 8.402 3.828 1.994
95 HG21 VAL 13 HG21 VAL 13 10.424 1.600 0.922
96 HG22 VAL 13 HG22 VAL 13 10.543 3.346 0.702
97 HG23 VAL 13 HG23 VAL 13 10.469 2.281 -0.704
98 H ASN 14 HN ASN 14 6.946 0.449 2.005
99 HA ASN 14 HA ASN 14 9.106 -1.421 2.543
100 HB2 ASN 14 HB2 ASN 14 8.244 -1.665 4.747
101 HB3 ASN 14 HB1 ASN 14 8.165 0.042 4.351
102 HD21 ASN 14 HD21 ASN 14 6.231 1.059 4.338
103 HD22 ASN 14 HD22 ASN 14 4.745 0.294 4.776
104 H ASN 15 HN ASN 15 5.671 -1.579 1.694
105 HA ASN 15 HA ASN 15 5.621 -4.415 2.009
106 HB2 ASN 15 HB2 ASN 15 3.350 -4.278 1.440
107 HB3 ASN 15 HB1 ASN 15 3.657 -2.843 2.374
108 HD21 ASN 15 HD21 ASN 15 1.959 -1.700 1.632
109 HD22 ASN 15 HD22 ASN 15 1.800 -1.149 0.001
110 HA HYP 16 HA HYP 16 7.363 -5.590 -1.746
111 HB2 HYP 16 HB1 HYP 16 7.456 -7.728 -1.126
112 HB3 HYP 16 HB2 HYP 16 5.894 -7.964 -1.902
113 HG HYP 16 HG HYP 16 4.897 -8.240 0.091
114 HD22 HYP 16 HD22 HYP 16 4.519 -6.225 1.082
115 HD23 HYP 16 HD23 HYP 16 6.178 -6.179 1.656
116 HD1 HYP 16 HD1 HYP 16 6.713 -7.822 1.902
117 H HIS 17 HN HIS 17 3.868 -6.191 -1.649
118 HA HIS 17 HA HIS 17 3.463 -4.731 -4.067
119 HB2 HIS 17 HB2 HIS 17 2.625 -6.567 -5.470
120 HB3 HIS 17 HB1 HIS 17 4.325 -6.776 -5.085
121 HD1 HIS 17 HD1 HIS 17 1.053 -8.431 -4.858
122 HD2 HIS 17 HD2 HIS 17 4.833 -8.905 -3.199
123 HE1 HIS 17 HE1 HIS 17 1.074 -10.743 -3.869
124 HE2 HIS 17 HE2 HIS 17 3.308 -10.935 -2.719
125 H VAL 18 HN VAL 18 2.385 -4.378 -1.585
126 HA VAL 18 HA VAL 18 -0.256 -5.575 -1.563
127 HB VAL 18 HB VAL 18 0.811 -3.393 0.242
128 HG11 VAL 18 HG11 VAL 18 -1.583 -5.211 0.531
129 HG12 VAL 18 HG12 VAL 18 -1.633 -3.487 0.161
130 HG13 VAL 18 HG13 VAL 18 -1.028 -4.038 1.723
131 HG21 VAL 18 HG21 VAL 18 0.635 -6.364 0.736
132 HG22 VAL 18 HG22 VAL 18 1.209 -5.145 1.873
133 HG23 VAL 18 HG23 VAL 18 2.116 -5.474 0.398
134 H CYS 19 HN CYS 19 -0.552 -4.716 -3.755
135 HA CYS 19 HA CYS 19 -2.592 -2.818 -3.713
136 HB2 CYS 19 HB2 CYS 19 -0.858 -1.119 -3.494
137 HB3 CYS 19 HB1 CYS 19 0.008 -1.785 -4.876
Start of MODEL 2
1 H1 ILE 1 HT1 ILE 1 -11.505 -6.466 1.404
2 H2 ILE 1 HT2 ILE 1 -10.959 -7.759 2.348
3 H3 ILE 1 HT3 ILE 1 -10.602 -7.706 0.697
4 HA ILE 1 HA ILE 1 -9.640 -5.790 2.726
5 HB ILE 1 HB ILE 1 -8.585 -7.998 2.949
6 HG12 ILE 1 HG12 ILE 1 -6.213 -7.275 2.622
7 HG13 ILE 1 HG11 ILE 1 -6.810 -5.860 1.759
8 HG21 ILE 1 HG21 ILE 1 -7.756 -7.634 0.076
9 HG22 ILE 1 HG22 ILE 1 -8.894 -8.831 0.692
10 HG23 ILE 1 HG23 ILE 1 -7.194 -8.912 1.152
11 HD11 ILE 1 HD11 ILE 1 -7.380 -6.545 4.633
12 HD12 ILE 1 HD12 ILE 1 -7.981 -5.131 3.769
13 HD13 ILE 1 HD13 ILE 1 -6.254 -5.321 4.054
14 H ARG 2 HN ARG 2 -8.517 -4.042 1.941
15 HA ARG 2 HA ARG 2 -8.162 -3.806 -0.936
16 HB2 ARG 2 HB2 ARG 2 -10.354 -2.800 -0.309
17 HB3 ARG 2 HB1 ARG 2 -9.507 -1.713 0.775
18 HG2 ARG 2 HG2 ARG 2 -10.065 -0.558 -1.254
19 HG3 ARG 2 HG1 ARG 2 -8.314 -0.753 -1.156
20 HD2 ARG 2 HD2 ARG 2 -9.902 -2.815 -2.603
21 HD3 ARG 2 HD1 ARG 2 -9.638 -1.256 -3.383
22 HE ARG 2 HE ARG 2 -7.195 -1.712 -2.986
23 HH11 ARG 2 HH11 ARG 2 -9.505 -4.321 -3.370
24 HH12 ARG 2 HH12 ARG 2 -8.330 -5.432 -3.996
25 HH21 ARG 2 HH21 ARG 2 -5.659 -3.174 -3.831
26 HH22 ARG 2 HH22 ARG 2 -6.149 -4.784 -4.258
27 H ASP 3 HN ASP 3 -6.202 -3.015 -1.413
28 HA ASP 3 HA ASP 3 -4.442 -2.142 0.676
29 HB2 ASP 3 HB2 ASP 3 -4.045 -2.211 -2.324
30 HB3 ASP 3 HB1 ASP 3 -2.783 -1.843 -1.154
31 H GLU 4 HN GLU 4 -5.706 -0.318 1.383
32 HA GLU 4 HA GLU 4 -6.164 1.926 -0.330
33 HB2 GLU 4 HB2 GLU 4 -6.188 1.814 2.691
34 HB3 GLU 4 HB1 GLU 4 -6.933 3.047 1.680
35 HG2 GLU 4 HG2 GLU 4 -8.480 1.399 0.784
36 HG3 GLU 4 HG1 GLU 4 -7.719 0.144 1.761
37 H CYS 5 HN CYS 5 -3.579 0.834 1.661
38 HA CYS 5 HA CYS 5 -2.264 3.299 2.033
39 HB2 CYS 5 HB2 CYS 5 -0.530 2.036 2.952
40 HB3 CYS 5 HB1 CYS 5 -1.966 1.101 3.308
41 H CYS 6 HN CYS 6 -2.810 1.552 -0.731
42 HA CYS 6 HA CYS 6 -0.442 1.696 -2.202
43 HB2 CYS 6 HB2 CYS 6 -2.402 0.472 -2.961
44 HB3 CYS 6 HB1 CYS 6 -3.329 1.960 -3.068
45 H SER 7 HN SER 7 -2.688 4.193 -1.295
46 HA SER 7 HA SER 7 -1.535 6.136 -3.130
47 HB2 SER 7 HB2 SER 7 -3.639 6.521 -0.981
48 HB3 SER 7 HB1 SER 7 -3.234 7.658 -2.268
49 HG SER 7 HG SER 7 -3.972 6.133 -3.778
50 H ASN 8 HN ASN 8 -0.216 4.769 -0.766
51 HA ASN 8 HA ASN 8 0.922 7.172 0.493
52 HB2 ASN 8 HB2 ASN 8 0.323 4.499 1.772
53 HB3 ASN 8 HB1 ASN 8 1.209 5.800 2.553
54 HD21 ASN 8 HD21 ASN 8 -1.891 4.814 1.295
55 HD22 ASN 8 HD22 ASN 8 -2.844 5.926 2.213
56 HA PRO 9 HA PRO 9 4.259 5.064 -1.729
57 HB2 PRO 9 HB2 PRO 9 5.731 7.396 -0.606
58 HB3 PRO 9 HB1 PRO 9 5.712 6.780 -2.260
59 HG2 PRO 9 HG2 PRO 9 4.389 8.993 -1.627
60 HG3 PRO 9 HG1 PRO 9 3.685 7.810 -2.747
61 HD2 PRO 9 HD2 PRO 9 3.060 8.295 0.136
62 HD3 PRO 9 HD1 PRO 9 1.970 7.910 -1.207
63 H VAL 10 HN VAL 10 4.051 6.055 1.584
64 HA VAL 10 HA VAL 10 6.551 4.955 2.445
65 HB VAL 10 HB VAL 10 5.035 6.728 3.587
66 HG11 VAL 10 HG11 VAL 10 3.895 4.228 4.792
67 HG12 VAL 10 HG12 VAL 10 3.035 5.409 3.807
68 HG13 VAL 10 HG13 VAL 10 3.640 5.863 5.399
69 HG21 VAL 10 HG21 VAL 10 7.193 6.020 4.451
70 HG22 VAL 10 HG22 VAL 10 6.440 4.612 5.201
71 HG23 VAL 10 HG23 VAL 10 6.036 6.233 5.766
72 H CYS 11 HN CYS 11 3.322 3.783 2.044
73 HA CYS 11 HA CYS 11 3.754 1.354 3.496
74 HB2 CYS 11 HB2 CYS 11 1.479 2.211 3.230
75 HB3 CYS 11 HB1 CYS 11 1.599 2.025 1.484
76 H ARG 12 HN ARG 12 3.877 2.301 0.093
77 HA ARG 12 HA ARG 12 4.161 -0.412 -0.691
78 HB2 ARG 12 HB2 ARG 12 4.502 0.642 -3.023
79 HB3 ARG 12 HB1 ARG 12 2.919 0.660 -2.266
80 HG2 ARG 12 HG2 ARG 12 3.458 2.923 -1.430
81 HG3 ARG 12 HG1 ARG 12 4.899 2.895 -2.451
82 HD2 ARG 12 HD2 ARG 12 2.009 2.960 -3.206
83 HD3 ARG 12 HD1 ARG 12 3.335 3.962 -3.796
84 HE ARG 12 HE ARG 12 3.108 1.108 -4.509
85 HH11 ARG 12 HH11 ARG 12 3.518 4.457 -5.449
86 HH12 ARG 12 HH12 ARG 12 3.727 4.085 -7.126
87 HH21 ARG 12 HH21 ARG 12 3.338 0.616 -6.704
88 HH22 ARG 12 HH22 ARG 12 3.642 1.899 -7.844
89 H VAL 13 HN VAL 13 6.368 2.009 0.137
90 HA VAL 13 HA VAL 13 8.607 0.840 -1.164
91 HB VAL 13 HB VAL 13 9.913 2.162 0.525
92 HG11 VAL 13 HG11 VAL 13 7.869 3.642 -1.106
93 HG12 VAL 13 HG12 VAL 13 9.419 3.034 -1.685
94 HG13 VAL 13 HG13 VAL 13 9.372 4.322 -0.482
95 HG21 VAL 13 HG21 VAL 13 8.412 2.246 2.351
96 HG22 VAL 13 HG22 VAL 13 7.152 2.970 1.356
97 HG23 VAL 13 HG23 VAL 13 8.602 3.896 1.758
98 H ASN 14 HN ASN 14 7.215 0.554 2.118
99 HA ASN 14 HA ASN 14 9.271 -1.319 2.892
100 HB2 ASN 14 HB2 ASN 14 8.379 -1.292 5.043
101 HB3 ASN 14 HB1 ASN 14 8.016 0.323 4.462
102 HD21 ASN 14 HD21 ASN 14 5.881 0.902 4.097
103 HD22 ASN 14 HD22 ASN 14 4.554 -0.056 4.659
104 H ASN 15 HN ASN 15 5.917 -1.446 1.905
105 HA ASN 15 HA ASN 15 5.902 -4.334 1.958
106 HB2 ASN 15 HB2 ASN 15 3.908 -2.286 2.114
107 HB3 ASN 15 HB1 ASN 15 3.612 -3.332 0.727
108 HD21 ASN 15 HD21 ASN 15 1.796 -4.222 1.581
109 HD22 ASN 15 HD22 ASN 15 1.824 -5.339 2.905
110 HA HYP 16 HA HYP 16 7.840 -3.775 -1.989
111 HB2 HYP 16 HB1 HYP 16 9.085 -5.640 -2.002
112 HB3 HYP 16 HB2 HYP 16 7.664 -6.685 -2.089
113 HG HYP 16 HG HYP 16 8.373 -7.228 0.055
114 HD22 HYP 16 HD22 HYP 16 6.319 -6.297 0.655
115 HD23 HYP 16 HD23 HYP 16 7.355 -5.171 1.484
116 HD1 HYP 16 HD1 HYP 16 8.928 -4.788 1.022
117 H HIS 17 HN HIS 17 6.081 -2.848 -3.048
118 HA HIS 17 HA HIS 17 4.742 -2.640 -4.846
119 HB2 HIS 17 HB2 HIS 17 6.661 -3.990 -5.830
120 HB3 HIS 17 HB1 HIS 17 5.622 -5.401 -5.679
121 HD1 HIS 17 HD1 HIS 17 4.843 -5.946 -7.962
122 HD2 HIS 17 HD2 HIS 17 4.773 -1.851 -7.242
123 HE1 HIS 17 HE1 HIS 17 3.871 -4.910 -10.035
124 HE2 HIS 17 HE2 HIS 17 3.742 -2.444 -9.539
125 H VAL 18 HN VAL 18 3.508 -3.677 -2.446
126 HA VAL 18 HA VAL 18 1.492 -5.509 -3.321
127 HB VAL 18 HB VAL 18 0.315 -4.862 -1.266
128 HG11 VAL 18 HG11 VAL 18 2.126 -6.544 -1.240
129 HG12 VAL 18 HG12 VAL 18 1.933 -5.713 0.299
130 HG13 VAL 18 HG13 VAL 18 3.257 -5.273 -0.778
131 HG21 VAL 18 HG21 VAL 18 2.539 -2.856 -0.932
132 HG22 VAL 18 HG22 VAL 18 1.315 -3.239 0.278
133 HG23 VAL 18 HG23 VAL 18 0.844 -2.487 -1.246
134 H CYS 19 HN CYS 19 2.204 -2.335 -3.920
135 HA CYS 19 HA CYS 19 -0.428 -1.846 -5.103
136 HB2 CYS 19 HB2 CYS 19 -0.510 -0.308 -3.359
137 HB3 CYS 19 HB1 CYS 19 1.229 -0.054 -3.363
Start of MODEL 3
1 H1 ILE 1 HT1 ILE 1 -9.769 -5.876 4.355
2 H2 ILE 1 HT2 ILE 1 -11.246 -5.505 3.629
3 H3 ILE 1 HT3 ILE 1 -11.143 -5.641 5.310
4 HA ILE 1 HA ILE 1 -11.254 -3.339 4.643
5 HB ILE 1 HB ILE 1 -9.227 -2.502 5.764
6 HG12 ILE 1 HG12 ILE 1 -8.346 -5.395 5.858
7 HG13 ILE 1 HG11 ILE 1 -7.664 -4.189 4.771
8 HG21 ILE 1 HG21 ILE 1 -10.469 -4.907 7.087
9 HG22 ILE 1 HG22 ILE 1 -11.101 -3.261 7.100
10 HG23 ILE 1 HG23 ILE 1 -9.578 -3.627 7.910
11 HD11 ILE 1 HD11 ILE 1 -7.603 -4.058 7.776
12 HD12 ILE 1 HD12 ILE 1 -6.866 -2.906 6.664
13 HD13 ILE 1 HD13 ILE 1 -6.269 -4.562 6.741
14 H ARG 2 HN ARG 2 -10.642 -1.699 3.309
15 HA ARG 2 HA ARG 2 -9.024 -2.387 1.032
16 HB2 ARG 2 HB2 ARG 2 -10.511 0.137 1.757
17 HB3 ARG 2 HB1 ARG 2 -9.599 -0.067 0.269
18 HG2 ARG 2 HG2 ARG 2 -11.946 -1.763 1.099
19 HG3 ARG 2 HG1 ARG 2 -12.019 -0.405 -0.024
20 HD2 ARG 2 HD2 ARG 2 -11.915 -2.385 -1.335
21 HD3 ARG 2 HD1 ARG 2 -10.334 -1.618 -1.441
22 HE ARG 2 HE ARG 2 -10.849 -3.861 0.402
23 HH11 ARG 2 HH11 ARG 2 -8.953 -2.376 -2.148
24 HH12 ARG 2 HH12 ARG 2 -7.750 -3.626 -2.147
25 HH21 ARG 2 HH21 ARG 2 -9.262 -5.486 0.416
26 HH22 ARG 2 HH22 ARG 2 -7.925 -5.396 -0.689
27 H ASP 3 HN ASP 3 -7.042 -1.491 0.498
28 HA ASP 3 HA ASP 3 -5.611 -0.449 2.821
29 HB2 ASP 3 HB2 ASP 3 -4.599 -1.787 0.308
30 HB3 ASP 3 HB1 ASP 3 -3.558 -1.118 1.556
31 H GLU 4 HN GLU 4 -5.935 1.707 2.767
32 HA GLU 4 HA GLU 4 -5.717 3.429 0.591
33 HB2 GLU 4 HB2 GLU 4 -6.489 3.910 2.984
34 HB3 GLU 4 HB1 GLU 4 -4.785 4.076 3.384
35 HG2 GLU 4 HG2 GLU 4 -4.718 5.779 1.469
36 HG3 GLU 4 HG1 GLU 4 -6.475 5.767 1.608
37 H CYS 5 HN CYS 5 -3.388 1.486 2.024
38 HA CYS 5 HA CYS 5 -1.075 3.008 1.977
39 HB2 CYS 5 HB2 CYS 5 -1.738 0.119 1.954
40 HB3 CYS 5 HB1 CYS 5 -0.090 0.584 1.569
41 H CYS 6 HN CYS 6 -2.913 1.908 -0.671
42 HA CYS 6 HA CYS 6 -0.958 1.707 -2.661
43 HB2 CYS 6 HB2 CYS 6 -3.802 2.724 -2.783
44 HB3 CYS 6 HB1 CYS 6 -2.831 2.302 -4.185
45 H SER 7 HN SER 7 -2.648 4.523 -1.302
46 HA SER 7 HA SER 7 -1.297 6.300 -3.179
47 HB2 SER 7 HB2 SER 7 -2.704 8.061 -2.079
48 HB3 SER 7 HB1 SER 7 -3.635 6.758 -2.815
49 HG SER 7 HG SER 7 -3.510 7.543 -0.218
50 H ASN 8 HN ASN 8 -0.736 4.958 -0.204
51 HA ASN 8 HA ASN 8 0.890 7.182 0.790
52 HB2 ASN 8 HB2 ASN 8 0.132 4.516 1.965
53 HB3 ASN 8 HB1 ASN 8 1.273 5.607 2.737
54 HD21 ASN 8 HD21 ASN 8 -2.047 5.212 1.711
55 HD22 ASN 8 HD22 ASN 8 -2.727 6.391 2.790
56 HA PRO 9 HA PRO 9 3.972 5.068 -1.705
57 HB2 PRO 9 HB2 PRO 9 5.990 6.875 -1.129
58 HB3 PRO 9 HB1 PRO 9 4.832 7.035 -2.451
59 HG2 PRO 9 HG2 PRO 9 4.771 8.273 0.266
60 HG3 PRO 9 HG1 PRO 9 4.376 8.994 -1.308
61 HD2 PRO 9 HD2 PRO 9 2.455 8.194 0.347
62 HD3 PRO 9 HD1 PRO 9 2.296 7.955 -1.400
63 H VAL 10 HN VAL 10 4.080 5.893 1.663
64 HA VAL 10 HA VAL 10 6.636 4.728 2.214
65 HB VAL 10 HB VAL 10 5.462 6.412 3.660
66 HG11 VAL 10 HG11 VAL 10 3.868 4.043 4.578
67 HG12 VAL 10 HG12 VAL 10 3.251 5.453 3.724
68 HG13 VAL 10 HG13 VAL 10 3.895 5.626 5.355
69 HG21 VAL 10 HG21 VAL 10 7.431 5.289 4.460
70 HG22 VAL 10 HG22 VAL 10 6.474 3.889 4.945
71 HG23 VAL 10 HG23 VAL 10 6.273 5.426 5.784
72 H CYS 11 HN CYS 11 3.335 3.606 2.314
73 HA CYS 11 HA CYS 11 3.785 1.103 3.478
74 HB2 CYS 11 HB2 CYS 11 1.679 2.067 1.557
75 HB3 CYS 11 HB1 CYS 11 1.667 0.473 2.281
76 H ARG 12 HN ARG 12 3.739 2.147 0.096
77 HA ARG 12 HA ARG 12 3.969 -0.489 -0.903
78 HB2 ARG 12 HB2 ARG 12 4.678 1.181 -2.994
79 HB3 ARG 12 HB1 ARG 12 3.086 0.514 -2.658
80 HG2 ARG 12 HG2 ARG 12 2.754 2.529 -1.142
81 HG3 ARG 12 HG1 ARG 12 4.173 3.201 -1.938
82 HD2 ARG 12 HD2 ARG 12 1.587 2.355 -3.197
83 HD3 ARG 12 HD1 ARG 12 2.156 4.005 -2.989
84 HE ARG 12 HE ARG 12 4.057 2.642 -4.499
85 HH11 ARG 12 HH11 ARG 12 0.739 3.731 -4.771
86 HH12 ARG 12 HH12 ARG 12 0.791 3.864 -6.502
87 HH21 ARG 12 HH21 ARG 12 4.126 2.810 -6.777
88 HH22 ARG 12 HH22 ARG 12 2.716 3.327 -7.643
89 H VAL 13 HN VAL 13 6.286 1.905 0.008
90 HA VAL 13 HA VAL 13 8.431 0.501 -1.306
91 HB VAL 13 HB VAL 13 9.834 2.252 -0.463
92 HG11 VAL 13 HG11 VAL 13 8.726 2.777 -2.462
93 HG12 VAL 13 HG12 VAL 13 8.540 4.205 -1.441
94 HG13 VAL 13 HG13 VAL 13 7.200 3.060 -1.620
95 HG21 VAL 13 HG21 VAL 13 8.961 4.081 0.909
96 HG22 VAL 13 HG22 VAL 13 8.902 2.538 1.761
97 HG23 VAL 13 HG23 VAL 13 7.432 3.216 1.061
98 H ASN 14 HN ASN 14 6.992 0.643 1.866
99 HA ASN 14 HA ASN 14 9.218 -0.728 3.126
100 HB2 ASN 14 HB2 ASN 14 7.797 0.897 4.381
101 HB3 ASN 14 HB1 ASN 14 6.435 -0.204 4.201
102 HD21 ASN 14 HD21 ASN 14 6.156 -0.578 6.358
103 HD22 ASN 14 HD22 ASN 14 7.297 -1.445 7.326
104 H ASN 15 HN ASN 15 6.067 -1.438 1.835
105 HA ASN 15 HA ASN 15 6.624 -4.301 1.950
106 HB2 ASN 15 HB2 ASN 15 5.204 -3.748 3.905
107 HB3 ASN 15 HB1 ASN 15 4.031 -3.030 2.806
108 HD21 ASN 15 HD21 ASN 15 2.423 -4.471 3.491
109 HD22 ASN 15 HD22 ASN 15 2.427 -6.134 3.012
110 HA HYP 16 HA HYP 16 5.301 -2.805 -2.153
111 HB2 HYP 16 HB1 HYP 16 7.263 -3.056 -3.202
112 HB3 HYP 16 HB2 HYP 16 7.091 -4.811 -3.180
113 HG HYP 16 HG HYP 16 8.949 -4.674 -1.820
114 HD22 HYP 16 HD22 HYP 16 7.422 -5.495 -0.245
115 HD23 HYP 16 HD23 HYP 16 7.905 -4.022 0.575
116 HD1 HYP 16 HD1 HYP 16 8.294 -2.472 -0.362
117 H HIS 17 HN HIS 17 3.655 -4.597 -0.734
118 HA HIS 17 HA HIS 17 2.308 -5.681 -2.980
119 HB2 HIS 17 HB2 HIS 17 2.167 -8.035 -2.233
120 HB3 HIS 17 HB1 HIS 17 3.791 -7.574 -2.709
121 HD1 HIS 17 HD1 HIS 17 5.590 -8.192 -1.120
122 HD2 HIS 17 HD2 HIS 17 1.858 -8.116 0.708
123 HE1 HIS 17 HE1 HIS 17 5.955 -9.094 1.199
124 HE2 HIS 17 HE2 HIS 17 3.668 -9.131 2.252
125 H VAL 18 HN VAL 18 1.965 -3.836 -0.691
126 HA VAL 18 HA VAL 18 -0.530 -5.011 0.325
127 HB VAL 18 HB VAL 18 0.965 -4.501 2.153
128 HG11 VAL 18 HG11 VAL 18 2.345 -2.779 1.157
129 HG12 VAL 18 HG12 VAL 18 1.662 -2.208 2.679
130 HG13 VAL 18 HG13 VAL 18 0.981 -1.662 1.148
131 HG21 VAL 18 HG21 VAL 18 -1.316 -2.541 2.010
132 HG22 VAL 18 HG22 VAL 18 -0.486 -3.046 3.481
133 HG23 VAL 18 HG23 VAL 18 -1.410 -4.219 2.544
134 H CYS 19 HN CYS 19 -1.458 -4.440 -1.703
135 HA CYS 19 HA CYS 19 -2.814 -1.934 -1.593
136 HB2 CYS 19 HB2 CYS 19 -0.765 -1.126 -2.621
137 HB3 CYS 19 HB1 CYS 19 -0.836 -2.396 -3.840
Start of MODEL 4
1 H1 ILE 1 HT1 ILE 1 -11.243 -3.444 7.415
2 H2 ILE 1 HT2 ILE 1 -11.413 -4.269 5.950
3 H3 ILE 1 HT3 ILE 1 -11.861 -2.644 6.060
4 HA ILE 1 HA ILE 1 -9.610 -1.979 6.421
5 HB ILE 1 HB ILE 1 -8.854 -4.014 7.595
6 HG12 ILE 1 HG12 ILE 1 -7.210 -3.395 5.129
7 HG13 ILE 1 HG11 ILE 1 -7.195 -2.468 6.623
8 HG21 ILE 1 HG21 ILE 1 -8.896 -5.300 4.869
9 HG22 ILE 1 HG22 ILE 1 -9.940 -5.701 6.231
10 HG23 ILE 1 HG23 ILE 1 -8.208 -6.013 6.328
11 HD11 ILE 1 HD11 ILE 1 -6.331 -5.333 6.322
12 HD12 ILE 1 HD12 ILE 1 -6.311 -4.400 7.818
13 HD13 ILE 1 HD13 ILE 1 -5.269 -3.933 6.474
14 H ARG 2 HN ARG 2 -8.595 -1.210 4.623
15 HA ARG 2 HA ARG 2 -9.205 -2.490 2.070
16 HB2 ARG 2 HB2 ARG 2 -10.647 -0.507 2.390
17 HB3 ARG 2 HB1 ARG 2 -9.213 0.479 2.632
18 HG2 ARG 2 HG2 ARG 2 -8.492 -0.135 0.322
19 HG3 ARG 2 HG1 ARG 2 -10.057 -0.922 0.108
20 HD2 ARG 2 HD2 ARG 2 -9.619 1.987 0.770
21 HD3 ARG 2 HD1 ARG 2 -10.049 1.348 -0.814
22 HE ARG 2 HE ARG 2 -12.118 0.492 0.389
23 HH11 ARG 2 HH11 ARG 2 -10.429 3.414 1.361
24 HH12 ARG 2 HH12 ARG 2 -11.870 4.181 1.956
25 HH21 ARG 2 HH21 ARG 2 -13.993 1.510 1.181
26 HH22 ARG 2 HH22 ARG 2 -13.886 3.101 1.863
27 H ASP 3 HN ASP 3 -7.536 -2.528 0.597
28 HA ASP 3 HA ASP 3 -4.908 -2.052 1.666
29 HB2 ASP 3 HB2 ASP 3 -5.761 -3.017 -1.073
30 HB3 ASP 3 HB1 ASP 3 -4.107 -2.997 -0.470
31 H GLU 4 HN GLU 4 -4.871 0.176 1.945
32 HA GLU 4 HA GLU 4 -5.169 1.815 -0.474
33 HB2 GLU 4 HB2 GLU 4 -5.247 2.678 2.417
34 HB3 GLU 4 HB1 GLU 4 -5.586 3.688 1.016
35 HG2 GLU 4 HG2 GLU 4 -7.520 2.337 0.478
36 HG3 GLU 4 HG1 GLU 4 -7.167 1.266 1.832
37 H CYS 5 HN CYS 5 -2.750 0.330 0.945
38 HA CYS 5 HA CYS 5 -0.856 2.273 1.568
39 HB2 CYS 5 HB2 CYS 5 -0.641 -0.551 0.572
40 HB3 CYS 5 HB1 CYS 5 0.769 0.410 0.975
41 H CYS 6 HN CYS 6 -2.217 1.493 -1.429
42 HA CYS 6 HA CYS 6 -0.110 2.182 -3.165
43 HB2 CYS 6 HB2 CYS 6 -3.103 2.164 -3.384
44 HB3 CYS 6 HB1 CYS 6 -2.106 2.735 -4.710
45 H SER 7 HN SER 7 -2.470 4.049 -1.362
46 HA SER 7 HA SER 7 -1.694 6.538 -2.655
47 HB2 SER 7 HB2 SER 7 -3.579 6.074 -0.329
48 HB3 SER 7 HB1 SER 7 -3.420 7.556 -1.270
49 HG SER 7 HG SER 7 -4.233 6.481 -3.058
50 H ASN 8 HN ASN 8 -0.071 4.720 -0.725
51 HA ASN 8 HA ASN 8 0.972 6.899 0.939
52 HB2 ASN 8 HB2 ASN 8 0.431 4.063 1.810
53 HB3 ASN 8 HB1 ASN 8 1.303 5.252 2.767
54 HD21 ASN 8 HD21 ASN 8 -1.788 4.344 1.456
55 HD22 ASN 8 HD22 ASN 8 -2.742 5.348 2.500
56 HA PRO 9 HA PRO 9 4.314 5.209 -1.614
57 HB2 PRO 9 HB2 PRO 9 5.683 7.512 -0.317
58 HB3 PRO 9 HB1 PRO 9 5.653 7.044 -2.020
59 HG2 PRO 9 HG2 PRO 9 4.219 9.105 -1.161
60 HG3 PRO 9 HG1 PRO 9 3.552 7.982 -2.362
61 HD2 PRO 9 HD2 PRO 9 2.991 8.178 0.567
62 HD3 PRO 9 HD1 PRO 9 1.883 7.843 -0.774
63 H VAL 10 HN VAL 10 4.163 5.776 1.809
64 HA VAL 10 HA VAL 10 6.759 4.627 2.330
65 HB VAL 10 HB VAL 10 5.590 6.258 3.858
66 HG11 VAL 10 HG11 VAL 10 4.040 3.851 4.751
67 HG12 VAL 10 HG12 VAL 10 3.379 5.223 3.869
68 HG13 VAL 10 HG13 VAL 10 4.018 5.448 5.495
69 HG21 VAL 10 HG21 VAL 10 6.582 3.680 5.048
70 HG22 VAL 10 HG22 VAL 10 6.444 5.213 5.910
71 HG23 VAL 10 HG23 VAL 10 7.569 5.058 4.562
72 H CYS 11 HN CYS 11 3.429 3.559 2.402
73 HA CYS 11 HA CYS 11 4.123 0.992 3.476
74 HB2 CYS 11 HB2 CYS 11 1.957 2.139 3.965
75 HB3 CYS 11 HB1 CYS 11 1.471 1.820 2.302
76 H ARG 12 HN ARG 12 3.344 2.245 0.237
77 HA ARG 12 HA ARG 12 3.236 -0.323 -0.923
78 HB2 ARG 12 HB2 ARG 12 3.589 0.897 -3.096
79 HB3 ARG 12 HB1 ARG 12 2.161 1.323 -2.163
80 HG2 ARG 12 HG2 ARG 12 3.378 3.220 -1.254
81 HG3 ARG 12 HG1 ARG 12 4.741 2.840 -2.307
82 HD2 ARG 12 HD2 ARG 12 1.948 3.611 -3.120
83 HD3 ARG 12 HD1 ARG 12 3.426 4.542 -3.378
84 HE ARG 12 HE ARG 12 4.061 2.395 -4.733
85 HH11 ARG 12 HH11 ARG 12 0.983 4.071 -4.666
86 HH12 ARG 12 HH12 ARG 12 0.493 3.478 -6.222
87 HH21 ARG 12 HH21 ARG 12 3.419 1.629 -6.773
88 HH22 ARG 12 HH22 ARG 12 1.875 2.086 -7.420
89 H VAL 13 HN VAL 13 5.797 1.743 -0.075
90 HA VAL 13 HA VAL 13 7.723 0.327 -1.693
91 HB VAL 13 HB VAL 13 7.874 2.735 0.088
92 HG11 VAL 13 HG11 VAL 13 10.102 1.480 -1.502
93 HG12 VAL 13 HG12 VAL 13 9.978 1.515 0.256
94 HG13 VAL 13 HG13 VAL 13 10.171 3.018 -0.643
95 HG21 VAL 13 HG21 VAL 13 8.309 2.438 -2.870
96 HG22 VAL 13 HG22 VAL 13 8.068 3.926 -1.951
97 HG23 VAL 13 HG23 VAL 13 6.736 2.775 -2.145
98 H ASN 14 HN ASN 14 7.404 1.119 1.789
99 HA ASN 14 HA ASN 14 9.534 -0.576 2.560
100 HB2 ASN 14 HB2 ASN 14 8.843 1.281 3.970
101 HB3 ASN 14 HB1 ASN 14 7.253 0.559 4.192
102 HD21 ASN 14 HD21 ASN 14 6.973 -1.011 5.680
103 HD22 ASN 14 HD22 ASN 14 8.213 -1.548 6.762
104 H ASN 15 HN ASN 15 6.017 -1.013 2.646
105 HA ASN 15 HA ASN 15 6.303 -3.846 3.204
106 HB2 ASN 15 HB2 ASN 15 4.198 -1.856 3.391
107 HB3 ASN 15 HB1 ASN 15 3.650 -3.242 2.455
108 HD21 ASN 15 HD21 ASN 15 3.146 -5.097 3.475
109 HD22 ASN 15 HD22 ASN 15 3.288 -5.336 5.187
110 HA HYP 16 HA HYP 16 6.260 -5.179 -1.000
111 HB2 HYP 16 HB1 HYP 16 6.283 -7.348 -0.482
112 HB3 HYP 16 HB2 HYP 16 4.524 -7.343 -0.540
113 HG HYP 16 HG HYP 16 4.463 -7.704 1.676
114 HD22 HYP 16 HD22 HYP 16 4.526 -5.639 2.633
115 HD23 HYP 16 HD23 HYP 16 6.271 -5.755 2.696
116 HD1 HYP 16 HD1 HYP 16 6.950 -7.244 2.462
117 H HIS 17 HN HIS 17 4.658 -3.101 -0.903
118 HA HIS 17 HA HIS 17 3.095 -2.062 -2.167
119 HB2 HIS 17 HB2 HIS 17 2.590 -4.835 -3.207
120 HB3 HIS 17 HB1 HIS 17 1.586 -3.472 -3.687
121 HD1 HIS 17 HD1 HIS 17 4.808 -5.112 -4.367
122 HD2 HIS 17 HD2 HIS 17 3.001 -1.455 -5.171
123 HE1 HIS 17 HE1 HIS 17 6.160 -4.082 -6.218
124 HE2 HIS 17 HE2 HIS 17 4.948 -1.954 -6.798
125 H VAL 18 HN VAL 18 1.879 -5.007 -0.605
126 HA VAL 18 HA VAL 18 0.072 -5.419 0.690
127 HB VAL 18 HB VAL 18 -0.072 -2.416 0.835
128 HG11 VAL 18 HG11 VAL 18 -2.326 -3.348 1.127
129 HG12 VAL 18 HG12 VAL 18 -1.699 -2.675 2.632
130 HG13 VAL 18 HG13 VAL 18 -1.711 -4.421 2.386
131 HG21 VAL 18 HG21 VAL 18 0.739 -4.479 2.872
132 HG22 VAL 18 HG22 VAL 18 0.771 -2.729 3.081
133 HG23 VAL 18 HG23 VAL 18 1.844 -3.496 1.914
134 H CYS 19 HN CYS 19 -0.692 -2.741 -1.541
135 HA CYS 19 HA CYS 19 -3.223 -4.026 -2.202
136 HB2 CYS 19 HB2 CYS 19 -3.428 -1.910 -3.685
137 HB3 CYS 19 HB1 CYS 19 -3.548 -1.724 -1.940
Start of MODEL 5
1 H1 ILE 1 HT1 ILE 1 -12.369 -1.645 0.143
2 H2 ILE 1 HT2 ILE 1 -12.791 -0.526 -1.046
3 H3 ILE 1 HT3 ILE 1 -11.859 -0.043 0.278
4 HA ILE 1 HA ILE 1 -11.017 -1.982 -1.788
5 HB ILE 1 HB ILE 1 -9.378 -0.229 -2.438
6 HG12 ILE 1 HG12 ILE 1 -11.098 1.598 -0.740
7 HG13 ILE 1 HG11 ILE 1 -9.475 1.066 -0.318
8 HG21 ILE 1 HG21 ILE 1 -11.373 -0.574 -3.761
9 HG22 ILE 1 HG22 ILE 1 -10.973 1.142 -3.717
10 HG23 ILE 1 HG23 ILE 1 -12.286 0.517 -2.719
11 HD11 ILE 1 HD11 ILE 1 -9.467 3.317 -1.224
12 HD12 ILE 1 HD12 ILE 1 -10.211 2.732 -2.712
13 HD13 ILE 1 HD13 ILE 1 -8.585 2.209 -2.274
14 H ARG 2 HN ARG 2 -8.988 -2.884 -1.478
15 HA ARG 2 HA ARG 2 -7.942 -2.622 1.223
16 HB2 ARG 2 HB2 ARG 2 -7.380 -4.763 -0.822
17 HB3 ARG 2 HB1 ARG 2 -6.847 -4.769 0.851
18 HG2 ARG 2 HG2 ARG 2 -9.070 -5.068 1.641
19 HG3 ARG 2 HG1 ARG 2 -9.739 -4.787 0.031
20 HD2 ARG 2 HD2 ARG 2 -8.019 -7.102 0.904
21 HD3 ARG 2 HD1 ARG 2 -9.728 -7.156 0.477
22 HE ARG 2 HE ARG 2 -8.980 -6.456 -1.809
23 HH11 ARG 2 HH11 ARG 2 -6.857 -8.227 0.342
24 HH12 ARG 2 HH12 ARG 2 -5.866 -8.848 -0.939
25 HH21 ARG 2 HH21 ARG 2 -7.668 -7.269 -3.499
26 HH22 ARG 2 HH22 ARG 2 -6.313 -8.286 -3.117
27 H ASP 3 HN ASP 3 -7.477 -1.036 -1.329
28 HA ASP 3 HA ASP 3 -4.556 -1.282 -1.461
29 HB2 ASP 3 HB2 ASP 3 -4.777 -0.097 -3.647
30 HB3 ASP 3 HB1 ASP 3 -5.501 -1.695 -3.604
31 H GLU 4 HN GLU 4 -5.680 0.059 0.626
32 HA GLU 4 HA GLU 4 -5.889 2.854 0.226
33 HB2 GLU 4 HB2 GLU 4 -5.183 1.324 2.736
34 HB3 GLU 4 HB1 GLU 4 -5.660 3.014 2.674
35 HG2 GLU 4 HG2 GLU 4 -7.849 2.359 1.805
36 HG3 GLU 4 HG1 GLU 4 -7.368 0.664 1.890
37 H CYS 5 HN CYS 5 -3.238 0.759 1.316
38 HA CYS 5 HA CYS 5 -1.379 2.809 1.761
39 HB2 CYS 5 HB2 CYS 5 -1.227 -0.145 1.400
40 HB3 CYS 5 HB1 CYS 5 0.251 0.799 1.400
41 H CYS 6 HN CYS 6 -2.494 1.382 -1.172
42 HA CYS 6 HA CYS 6 -0.326 1.856 -2.841
43 HB2 CYS 6 HB2 CYS 6 -3.280 1.782 -3.188
44 HB3 CYS 6 HB1 CYS 6 -2.272 2.283 -4.538
45 H SER 7 HN SER 7 -2.552 4.122 -1.373
46 HA SER 7 HA SER 7 -1.573 6.314 -3.041
47 HB2 SER 7 HB2 SER 7 -3.572 6.354 -0.767
48 HB3 SER 7 HB1 SER 7 -3.234 7.679 -1.880
49 HG SER 7 HG SER 7 -5.097 6.068 -2.244
50 H ASN 8 HN ASN 8 -0.237 4.677 -0.739
51 HA ASN 8 HA ASN 8 0.939 7.004 0.630
52 HB2 ASN 8 HB2 ASN 8 0.367 4.273 1.795
53 HB3 ASN 8 HB1 ASN 8 1.206 5.575 2.626
54 HD21 ASN 8 HD21 ASN 8 -1.843 4.514 1.336
55 HD22 ASN 8 HD22 ASN 8 -2.836 5.570 2.286
56 HA PRO 9 HA PRO 9 4.208 4.864 -1.766
57 HB2 PRO 9 HB2 PRO 9 5.600 7.330 -0.820
58 HB3 PRO 9 HB1 PRO 9 5.607 6.587 -2.423
59 HG2 PRO 9 HG2 PRO 9 4.173 8.767 -1.971
60 HG3 PRO 9 HG1 PRO 9 3.510 7.450 -2.960
61 HD2 PRO 9 HD2 PRO 9 2.916 8.171 -0.118
62 HD3 PRO 9 HD1 PRO 9 1.821 7.607 -1.390
63 H VAL 10 HN VAL 10 4.136 6.037 1.524
64 HA VAL 10 HA VAL 10 6.750 4.964 2.175
65 HB VAL 10 HB VAL 10 5.568 6.975 3.283
66 HG11 VAL 10 HG11 VAL 10 4.317 6.502 5.302
67 HG12 VAL 10 HG12 VAL 10 4.395 4.778 4.952
68 HG13 VAL 10 HG13 VAL 10 3.499 5.852 3.883
69 HG21 VAL 10 HG21 VAL 10 7.739 6.136 3.975
70 HG22 VAL 10 HG22 VAL 10 6.959 4.897 4.958
71 HG23 VAL 10 HG23 VAL 10 6.782 6.600 5.382
72 H CYS 11 HN CYS 11 3.425 4.038 2.459
73 HA CYS 11 HA CYS 11 3.911 1.757 4.109
74 HB2 CYS 11 HB2 CYS 11 1.696 2.933 3.933
75 HB3 CYS 11 HB1 CYS 11 1.523 2.251 2.319
76 H ARG 12 HN ARG 12 3.622 2.318 0.624
77 HA ARG 12 HA ARG 12 3.808 -0.475 0.099
78 HB2 ARG 12 HB2 ARG 12 3.862 0.282 -2.330
79 HB3 ARG 12 HB1 ARG 12 2.392 0.543 -1.405
80 HG2 ARG 12 HG2 ARG 12 3.171 2.826 -0.969
81 HG3 ARG 12 HG1 ARG 12 4.515 2.541 -2.076
82 HD2 ARG 12 HD2 ARG 12 2.873 1.977 -3.839
83 HD3 ARG 12 HD1 ARG 12 1.584 2.388 -2.713
84 HE ARG 12 HE ARG 12 2.431 4.672 -2.741
85 HH11 ARG 12 HH11 ARG 12 3.483 2.550 -5.312
86 HH12 ARG 12 HH12 ARG 12 3.722 3.836 -6.450
87 HH21 ARG 12 HH21 ARG 12 2.727 6.371 -4.252
88 HH22 ARG 12 HH22 ARG 12 3.313 6.004 -5.841
89 H VAL 13 HN VAL 13 6.064 2.153 0.117
90 HA VAL 13 HA VAL 13 8.092 1.006 -1.408
91 HB VAL 13 HB VAL 13 8.106 3.329 -0.609
92 HG11 VAL 13 HG11 VAL 13 7.213 2.739 1.643
93 HG12 VAL 13 HG12 VAL 13 8.546 3.908 1.646
94 HG13 VAL 13 HG13 VAL 13 8.847 2.224 2.081
95 HG21 VAL 13 HG21 VAL 13 10.472 3.460 0.026
96 HG22 VAL 13 HG22 VAL 13 10.192 2.371 -1.333
97 HG23 VAL 13 HG23 VAL 13 10.481 1.715 0.276
98 H ASN 14 HN ASN 14 7.198 0.553 1.997
99 HA ASN 14 HA ASN 14 9.368 -1.247 2.570
100 HB2 ASN 14 HB2 ASN 14 6.718 -1.129 4.014
101 HB3 ASN 14 HB1 ASN 14 8.253 -1.708 4.640
102 HD21 ASN 14 HD21 ASN 14 6.362 0.265 5.583
103 HD22 ASN 14 HD22 ASN 14 7.267 1.732 5.807
104 H ASN 15 HN ASN 15 6.038 -1.541 1.520
105 HA ASN 15 HA ASN 15 6.291 -4.453 1.418
106 HB2 ASN 15 HB2 ASN 15 5.199 -3.462 3.580
107 HB3 ASN 15 HB1 ASN 15 3.843 -3.119 2.510
108 HD21 ASN 15 HD21 ASN 15 2.629 -4.812 1.657
109 HD22 ASN 15 HD22 ASN 15 2.715 -6.418 2.290
110 HA HYP 16 HA HYP 16 4.482 -2.599 -2.378
111 HB2 HYP 16 HB1 HYP 16 6.228 -2.881 -3.751
112 HB3 HYP 16 HB2 HYP 16 5.992 -4.628 -3.768
113 HG HYP 16 HG HYP 16 8.057 -4.586 -2.724
114 HD22 HYP 16 HD22 HYP 16 6.738 -5.491 -1.007
115 HD23 HYP 16 HD23 HYP 16 7.407 -4.105 -0.163
116 HD1 HYP 16 HD1 HYP 16 7.682 -2.479 -1.045
117 H HIS 17 HN HIS 17 3.903 -5.455 -0.838
118 HA HIS 17 HA HIS 17 1.817 -6.115 -2.817
119 HB2 HIS 17 HB2 HIS 17 3.364 -7.962 -0.998
120 HB3 HIS 17 HB1 HIS 17 1.830 -8.428 -1.718
121 HD1 HIS 17 HD1 HIS 17 1.982 -9.536 -3.918
122 HD2 HIS 17 HD2 HIS 17 5.368 -7.271 -3.092
123 HE1 HIS 17 HE1 HIS 17 3.564 -9.966 -5.822
124 HE2 HIS 17 HE2 HIS 17 5.538 -8.470 -5.377
125 H VAL 18 HN VAL 18 1.632 -4.118 -0.868
126 HA VAL 18 HA VAL 18 0.284 -5.185 1.455
127 HB VAL 18 HB VAL 18 1.782 -3.258 1.683
128 HG11 VAL 18 HG11 VAL 18 1.393 -2.189 -0.462
129 HG12 VAL 18 HG12 VAL 18 1.123 -1.052 0.857
130 HG13 VAL 18 HG13 VAL 18 -0.250 -1.776 0.024
131 HG21 VAL 18 HG21 VAL 18 0.312 -1.842 3.044
132 HG22 VAL 18 HG22 VAL 18 0.012 -3.558 3.320
133 HG23 VAL 18 HG23 VAL 18 -1.096 -2.620 2.320
134 H CYS 19 HN CYS 19 -0.607 -3.735 -1.598
135 HA CYS 19 HA CYS 19 -3.338 -3.268 -0.732
136 HB2 CYS 19 HB2 CYS 19 -2.190 -3.036 -3.521
137 HB3 CYS 19 HB1 CYS 19 -3.715 -2.383 -2.949
Start of MODEL 6
1 H1 ILE 1 HT1 ILE 1 -9.362 -4.921 3.524
2 H2 ILE 1 HT2 ILE 1 -8.855 -4.807 5.129
3 H3 ILE 1 HT3 ILE 1 -8.639 -6.250 4.278
4 HA ILE 1 HA ILE 1 -6.572 -5.021 4.494
5 HB ILE 1 HB ILE 1 -6.835 -6.471 2.558
6 HG12 ILE 1 HG12 ILE 1 -5.579 -3.815 1.826
7 HG13 ILE 1 HG11 ILE 1 -4.791 -5.130 2.690
8 HG21 ILE 1 HG21 ILE 1 -7.660 -5.628 0.411
9 HG22 ILE 1 HG22 ILE 1 -8.059 -4.088 1.171
10 HG23 ILE 1 HG23 ILE 1 -8.904 -5.556 1.659
11 HD11 ILE 1 HD11 ILE 1 -5.788 -5.241 -0.146
12 HD12 ILE 1 HD12 ILE 1 -4.962 -6.538 0.717
13 HD13 ILE 1 HD13 ILE 1 -4.112 -5.036 0.357
14 H ARG 2 HN ARG 2 -5.499 -3.094 4.450
15 HA ARG 2 HA ARG 2 -7.060 -0.720 4.049
16 HB2 ARG 2 HB2 ARG 2 -4.139 -1.030 4.753
17 HB3 ARG 2 HB1 ARG 2 -5.037 0.481 4.776
18 HG2 ARG 2 HG2 ARG 2 -6.537 -0.514 6.494
19 HG3 ARG 2 HG1 ARG 2 -5.468 -1.917 6.540
20 HD2 ARG 2 HD2 ARG 2 -4.918 -0.384 8.337
21 HD3 ARG 2 HD1 ARG 2 -3.599 -0.456 7.168
22 HE ARG 2 HE ARG 2 -5.482 1.682 6.715
23 HH11 ARG 2 HH11 ARG 2 -2.538 0.719 8.339
24 HH12 ARG 2 HH12 ARG 2 -1.950 2.340 8.505
25 HH21 ARG 2 HH21 ARG 2 -4.702 3.824 6.904
26 HH22 ARG 2 HH22 ARG 2 -3.175 4.107 7.683
27 H ASP 3 HN ASP 3 -7.533 -0.695 1.880
28 HA ASP 3 HA ASP 3 -5.554 -1.012 -0.148
29 HB2 ASP 3 HB2 ASP 3 -7.963 -1.571 -0.458
30 HB3 ASP 3 HB1 ASP 3 -8.336 0.145 -0.366
31 H GLU 4 HN GLU 4 -6.447 1.424 1.847
32 HA GLU 4 HA GLU 4 -6.064 3.732 0.272
33 HB2 GLU 4 HB2 GLU 4 -5.816 4.896 2.449
34 HB3 GLU 4 HB1 GLU 4 -7.234 3.858 2.387
35 HG2 GLU 4 HG2 GLU 4 -6.008 2.131 3.622
36 HG3 GLU 4 HG1 GLU 4 -4.610 3.200 3.710
37 H CYS 5 HN CYS 5 -3.868 1.561 1.863
38 HA CYS 5 HA CYS 5 -1.716 3.343 2.221
39 HB2 CYS 5 HB2 CYS 5 -0.767 1.600 3.255
40 HB3 CYS 5 HB1 CYS 5 -2.294 0.775 2.994
41 H CYS 6 HN CYS 6 -2.922 1.778 -0.568
42 HA CYS 6 HA CYS 6 -0.625 1.523 -2.133
43 HB2 CYS 6 HB2 CYS 6 -3.454 2.219 -2.919
44 HB3 CYS 6 HB1 CYS 6 -2.207 1.667 -4.028
45 H SER 7 HN SER 7 -2.643 4.320 -1.411
46 HA SER 7 HA SER 7 -1.304 5.976 -3.373
47 HB2 SER 7 HB2 SER 7 -3.736 6.243 -2.775
48 HB3 SER 7 HB1 SER 7 -3.228 6.824 -1.190
49 HG SER 7 HG SER 7 -2.600 7.991 -3.708
50 H ASN 8 HN ASN 8 -0.574 4.811 -0.409
51 HA ASN 8 HA ASN 8 0.895 7.167 0.530
52 HB2 ASN 8 HB2 ASN 8 0.221 4.527 1.810
53 HB3 ASN 8 HB1 ASN 8 1.279 5.713 2.562
54 HD21 ASN 8 HD21 ASN 8 -2.002 5.082 1.492
55 HD22 ASN 8 HD22 ASN 8 -2.747 6.272 2.503
56 HA PRO 9 HA PRO 9 4.255 5.105 -1.614
57 HB2 PRO 9 HB2 PRO 9 6.150 7.005 -0.989
58 HB3 PRO 9 HB1 PRO 9 5.039 7.112 -2.357
59 HG2 PRO 9 HG2 PRO 9 4.827 8.370 0.343
60 HG3 PRO 9 HG1 PRO 9 4.488 9.072 -1.252
61 HD2 PRO 9 HD2 PRO 9 2.520 8.213 0.334
62 HD3 PRO 9 HD1 PRO 9 2.436 8.003 -1.420
63 H VAL 10 HN VAL 10 4.003 5.960 1.716
64 HA VAL 10 HA VAL 10 6.529 4.843 2.520
65 HB VAL 10 HB VAL 10 5.102 6.592 3.757
66 HG11 VAL 10 HG11 VAL 10 3.795 4.110 4.818
67 HG12 VAL 10 HG12 VAL 10 3.024 5.382 3.875
68 HG13 VAL 10 HG13 VAL 10 3.622 5.728 5.495
69 HG21 VAL 10 HG21 VAL 10 6.024 5.916 5.927
70 HG22 VAL 10 HG22 VAL 10 7.193 5.729 4.621
71 HG23 VAL 10 HG23 VAL 10 6.359 4.315 5.269
72 H CYS 11 HN CYS 11 3.256 3.727 2.179
73 HA CYS 11 HA CYS 11 3.681 1.228 3.488
74 HB2 CYS 11 HB2 CYS 11 1.410 2.092 3.235
75 HB3 CYS 11 HB1 CYS 11 1.554 2.006 1.482
76 H ARG 12 HN ARG 12 3.670 2.248 0.079
77 HA ARG 12 HA ARG 12 4.129 -0.412 -0.761
78 HB2 ARG 12 HB2 ARG 12 4.461 0.743 -3.059
79 HB3 ARG 12 HB1 ARG 12 2.864 0.641 -2.334
80 HG2 ARG 12 HG2 ARG 12 3.212 2.893 -1.416
81 HG3 ARG 12 HG1 ARG 12 4.714 2.999 -2.333
82 HD2 ARG 12 HD2 ARG 12 3.283 2.449 -4.378
83 HD3 ARG 12 HD1 ARG 12 1.897 2.792 -3.340
84 HE ARG 12 HE ARG 12 3.771 4.919 -3.268
85 HH11 ARG 12 HH11 ARG 12 1.285 3.506 -5.268
86 HH12 ARG 12 HH12 ARG 12 0.935 4.984 -6.105
87 HH21 ARG 12 HH21 ARG 12 3.312 6.873 -4.358
88 HH22 ARG 12 HH22 ARG 12 2.073 6.903 -5.570
89 H VAL 13 HN VAL 13 6.215 2.085 0.135
90 HA VAL 13 HA VAL 13 8.486 1.173 -1.311
91 HB VAL 13 HB VAL 13 8.274 3.466 -0.447
92 HG11 VAL 13 HG11 VAL 13 8.359 3.967 1.866
93 HG12 VAL 13 HG12 VAL 13 8.703 2.286 2.278
94 HG13 VAL 13 HG13 VAL 13 7.114 2.724 1.639
95 HG21 VAL 13 HG21 VAL 13 10.517 3.673 0.531
96 HG22 VAL 13 HG22 VAL 13 10.493 2.640 -0.898
97 HG23 VAL 13 HG23 VAL 13 10.580 1.921 0.708
98 H ASN 14 HN ASN 14 7.018 0.374 1.809
99 HA ASN 14 HA ASN 14 9.358 -1.287 2.436
100 HB2 ASN 14 HB2 ASN 14 8.877 -1.111 4.687
101 HB3 ASN 14 HB1 ASN 14 8.333 0.449 4.089
102 HD21 ASN 14 HD21 ASN 14 6.115 0.893 4.026
103 HD22 ASN 14 HD22 ASN 14 4.969 -0.076 4.891
104 H ASN 15 HN ASN 15 5.853 -1.502 2.015
105 HA ASN 15 HA ASN 15 5.663 -4.213 2.839
106 HB2 ASN 15 HB2 ASN 15 3.483 -3.717 2.799
107 HB3 ASN 15 HB1 ASN 15 3.874 -2.131 2.146
108 HD21 ASN 15 HD21 ASN 15 3.444 -1.712 0.032
109 HD22 ASN 15 HD22 ASN 15 2.661 -2.813 -1.039
110 HA HYP 16 HA HYP 16 7.088 -6.405 -0.629
111 HB2 HYP 16 HB1 HYP 16 7.026 -8.307 0.539
112 HB3 HYP 16 HB2 HYP 16 5.447 -8.600 -0.185
113 HG HYP 16 HG HYP 16 4.406 -8.245 1.789
114 HD22 HYP 16 HD22 HYP 16 4.351 -6.041 2.367
115 HD23 HYP 16 HD23 HYP 16 6.033 -6.105 2.879
116 HD1 HYP 16 HD1 HYP 16 6.264 -7.733 3.517
117 H HIS 17 HN HIS 17 3.811 -7.641 -0.466
118 HA HIS 17 HA HIS 17 3.059 -6.233 -2.898
119 HB2 HIS 17 HB2 HIS 17 3.348 -9.231 -2.741
120 HB3 HIS 17 HB1 HIS 17 2.267 -8.464 -3.898
121 HD1 HIS 17 HD1 HIS 17 3.417 -6.959 -5.748
122 HD2 HIS 17 HD2 HIS 17 6.013 -9.235 -3.436
123 HE1 HIS 17 HE1 HIS 17 5.605 -6.955 -6.985
124 HE2 HIS 17 HE2 HIS 17 7.095 -8.497 -5.666
125 H VAL 18 HN VAL 18 2.026 -5.764 -0.440
126 HA VAL 18 HA VAL 18 -0.384 -7.301 -0.038
127 HB VAL 18 HB VAL 18 0.413 -4.615 1.114
128 HG11 VAL 18 HG11 VAL 18 -1.336 -5.028 2.785
129 HG12 VAL 18 HG12 VAL 18 -1.819 -6.482 1.912
130 HG13 VAL 18 HG13 VAL 18 -2.004 -4.898 1.158
131 HG21 VAL 18 HG21 VAL 18 1.925 -6.380 1.796
132 HG22 VAL 18 HG22 VAL 18 0.566 -7.395 2.268
133 HG23 VAL 18 HG23 VAL 18 0.903 -5.909 3.151
134 H CYS 19 HN CYS 19 0.460 -4.189 -1.467
135 HA CYS 19 HA CYS 19 -2.268 -3.816 -2.405
136 HB2 CYS 19 HB2 CYS 19 -1.102 -1.828 -1.598
137 HB3 CYS 19 HB1 CYS 19 0.203 -2.098 -2.752
Start of MODEL 7
1 H1 ILE 1 HT1 ILE 1 -11.985 -0.968 6.965
2 H2 ILE 1 HT2 ILE 1 -10.400 -1.237 7.491
3 H3 ILE 1 HT3 ILE 1 -11.117 -2.297 6.386
4 HA ILE 1 HA ILE 1 -11.212 -0.597 4.725
5 HB ILE 1 HB ILE 1 -10.007 1.544 5.111
6 HG12 ILE 1 HG12 ILE 1 -10.133 0.734 8.026
7 HG13 ILE 1 HG11 ILE 1 -8.663 0.807 7.061
8 HG21 ILE 1 HG21 ILE 1 -11.827 2.605 6.385
9 HG22 ILE 1 HG22 ILE 1 -12.389 1.009 6.877
10 HG23 ILE 1 HG23 ILE 1 -12.424 1.469 5.177
11 HD11 ILE 1 HD11 ILE 1 -10.446 3.135 7.731
12 HD12 ILE 1 HD12 ILE 1 -8.966 3.207 6.775
13 HD13 ILE 1 HD13 ILE 1 -8.895 2.762 8.480
14 H ARG 2 HN ARG 2 -9.673 -0.840 3.206
15 HA ARG 2 HA ARG 2 -6.897 -1.059 3.864
16 HB2 ARG 2 HB2 ARG 2 -6.557 -3.303 3.004
17 HB3 ARG 2 HB1 ARG 2 -7.702 -3.350 4.336
18 HG2 ARG 2 HG2 ARG 2 -9.549 -3.554 2.789
19 HG3 ARG 2 HG1 ARG 2 -8.447 -3.405 1.419
20 HD2 ARG 2 HD2 ARG 2 -7.318 -5.460 2.100
21 HD3 ARG 2 HD1 ARG 2 -8.407 -5.607 3.479
22 HE ARG 2 HE ARG 2 -10.076 -5.484 1.337
23 HH11 ARG 2 HH11 ARG 2 -7.356 -7.517 2.188
24 HH12 ARG 2 HH12 ARG 2 -7.956 -8.898 1.323
25 HH21 ARG 2 HH21 ARG 2 -10.865 -7.289 0.194
26 HH22 ARG 2 HH22 ARG 2 -9.952 -8.763 0.185
27 H ASP 3 HN ASP 3 -5.836 -2.015 1.629
28 HA ASP 3 HA ASP 3 -5.194 -1.409 -0.450
29 HB2 ASP 3 HB2 ASP 3 -7.432 -2.551 -0.917
30 HB3 ASP 3 HB1 ASP 3 -8.106 -0.935 -1.069
31 H GLU 4 HN GLU 4 -5.319 0.563 1.586
32 HA GLU 4 HA GLU 4 -5.962 3.003 0.077
33 HB2 GLU 4 HB2 GLU 4 -6.007 4.148 2.235
34 HB3 GLU 4 HB1 GLU 4 -7.120 2.789 2.228
35 HG2 GLU 4 HG2 GLU 4 -5.598 1.461 3.521
36 HG3 GLU 4 HG1 GLU 4 -4.357 2.710 3.416
37 H CYS 5 HN CYS 5 -3.444 1.127 1.449
38 HA CYS 5 HA CYS 5 -1.560 3.202 1.817
39 HB2 CYS 5 HB2 CYS 5 -1.571 0.262 1.970
40 HB3 CYS 5 HB1 CYS 5 -0.022 1.000 1.617
41 H CYS 6 HN CYS 6 -2.794 1.904 -0.993
42 HA CYS 6 HA CYS 6 -0.564 1.896 -2.697
43 HB2 CYS 6 HB2 CYS 6 -3.448 2.593 -3.256
44 HB3 CYS 6 HB1 CYS 6 -2.235 2.257 -4.480
45 H SER 7 HN SER 7 -2.659 4.485 -1.531
46 HA SER 7 HA SER 7 -1.264 6.462 -3.150
47 HB2 SER 7 HB2 SER 7 -2.859 8.030 -1.837
48 HB3 SER 7 HB1 SER 7 -3.568 6.926 -3.016
49 HG SER 7 HG SER 7 -4.143 7.115 -0.452
50 H ASN 8 HN ASN 8 -0.454 4.794 -0.603
51 HA ASN 8 HA ASN 8 0.807 7.021 0.864
52 HB2 ASN 8 HB2 ASN 8 0.139 4.222 1.786
53 HB3 ASN 8 HB1 ASN 8 1.030 5.391 2.747
54 HD21 ASN 8 HD21 ASN 8 -1.838 5.913 0.742
55 HD22 ASN 8 HD22 ASN 8 -2.868 6.409 2.042
56 HA PRO 9 HA PRO 9 4.053 5.039 -1.661
57 HB2 PRO 9 HB2 PRO 9 5.567 7.337 -0.515
58 HB3 PRO 9 HB1 PRO 9 5.481 6.778 -2.189
59 HG2 PRO 9 HG2 PRO 9 4.172 8.958 -1.425
60 HG3 PRO 9 HG1 PRO 9 3.426 7.807 -2.549
61 HD2 PRO 9 HD2 PRO 9 2.926 8.196 0.373
62 HD3 PRO 9 HD1 PRO 9 1.781 7.840 -0.932
63 H VAL 10 HN VAL 10 4.145 6.025 1.687
64 HA VAL 10 HA VAL 10 6.622 4.836 2.376
65 HB VAL 10 HB VAL 10 4.180 5.410 4.070
66 HG11 VAL 10 HG11 VAL 10 5.455 3.628 5.116
67 HG12 VAL 10 HG12 VAL 10 5.657 5.131 6.018
68 HG13 VAL 10 HG13 VAL 10 6.939 4.565 4.949
69 HG21 VAL 10 HG21 VAL 10 5.273 7.382 3.131
70 HG22 VAL 10 HG22 VAL 10 6.814 6.854 3.800
71 HG23 VAL 10 HG23 VAL 10 5.495 7.304 4.877
72 H CYS 11 HN CYS 11 3.284 3.629 2.502
73 HA CYS 11 HA CYS 11 3.800 1.129 3.622
74 HB2 CYS 11 HB2 CYS 11 1.669 1.935 1.648
75 HB3 CYS 11 HB1 CYS 11 1.656 0.479 2.618
76 H ARG 12 HN ARG 12 3.361 2.038 0.215
77 HA ARG 12 HA ARG 12 3.676 -0.570 -0.729
78 HB2 ARG 12 HB2 ARG 12 3.933 0.583 -2.995
79 HB3 ARG 12 HB1 ARG 12 2.405 0.709 -2.139
80 HG2 ARG 12 HG2 ARG 12 3.180 2.874 -1.262
81 HG3 ARG 12 HG1 ARG 12 4.577 2.761 -2.330
82 HD2 ARG 12 HD2 ARG 12 1.667 2.969 -3.061
83 HD3 ARG 12 HD1 ARG 12 2.972 4.078 -3.476
84 HE ARG 12 HE ARG 12 3.725 1.748 -4.643
85 HH11 ARG 12 HH11 ARG 12 0.811 3.693 -4.778
86 HH12 ARG 12 HH12 ARG 12 0.404 3.192 -6.389
87 HH21 ARG 12 HH21 ARG 12 3.180 1.084 -6.769
88 HH22 ARG 12 HH22 ARG 12 1.747 1.710 -7.518
89 H VAL 13 HN VAL 13 5.991 1.691 0.159
90 HA VAL 13 HA VAL 13 8.054 0.519 -1.482
91 HB VAL 13 HB VAL 13 7.980 2.812 0.448
92 HG11 VAL 13 HG11 VAL 13 10.276 3.290 -0.136
93 HG12 VAL 13 HG12 VAL 13 10.353 1.832 -1.127
94 HG13 VAL 13 HG13 VAL 13 10.160 1.703 0.622
95 HG21 VAL 13 HG21 VAL 13 6.937 2.898 -1.834
96 HG22 VAL 13 HG22 VAL 13 8.568 2.722 -2.497
97 HG23 VAL 13 HG23 VAL 13 8.166 4.128 -1.510
98 H ASN 14 HN ASN 14 7.330 0.794 2.025
99 HA ASN 14 HA ASN 14 9.617 -0.811 2.690
100 HB2 ASN 14 HB2 ASN 14 9.044 -0.565 4.930
101 HB3 ASN 14 HB1 ASN 14 8.448 0.926 4.214
102 HD21 ASN 14 HD21 ASN 14 6.213 1.240 4.047
103 HD22 ASN 14 HD22 ASN 14 5.090 0.270 4.936
104 H ASN 15 HN ASN 15 6.352 -1.419 1.848
105 HA ASN 15 HA ASN 15 6.772 -4.271 2.284
106 HB2 ASN 15 HB2 ASN 15 5.349 -3.466 4.121
107 HB3 ASN 15 HB1 ASN 15 4.254 -2.753 2.941
108 HD21 ASN 15 HD21 ASN 15 2.491 -3.974 3.603
109 HD22 ASN 15 HD22 ASN 15 2.372 -5.672 3.296
110 HA HYP 16 HA HYP 16 5.449 -3.438 -2.013
111 HB2 HYP 16 HB1 HYP 16 7.409 -3.856 -3.013
112 HB3 HYP 16 HB2 HYP 16 7.227 -5.583 -2.703
113 HG HYP 16 HG HYP 16 9.099 -5.243 -1.396
114 HD22 HYP 16 HD22 HYP 16 7.579 -5.768 0.310
115 HD23 HYP 16 HD23 HYP 16 8.089 -4.185 0.865
116 HD1 HYP 16 HD1 HYP 16 8.495 -2.821 -0.315
117 H HIS 17 HN HIS 17 3.974 -5.123 -0.145
118 HA HIS 17 HA HIS 17 2.789 -6.867 -2.157
119 HB2 HIS 17 HB2 HIS 17 3.774 -7.799 0.530
120 HB3 HIS 17 HB1 HIS 17 2.434 -8.609 -0.271
121 HD1 HIS 17 HD1 HIS 17 5.761 -9.247 0.239
122 HD2 HIS 17 HD2 HIS 17 3.495 -9.010 -3.238
123 HE1 HIS 17 HE1 HIS 17 7.025 -10.571 -1.485
124 HE2 HIS 17 HE2 HIS 17 5.611 -10.456 -3.566
125 H VAL 18 HN VAL 18 2.270 -4.298 -0.587
126 HA VAL 18 HA VAL 18 -0.272 -5.039 0.681
127 HB VAL 18 HB VAL 18 1.291 -3.591 1.966
128 HG11 VAL 18 HG11 VAL 18 1.542 -1.234 1.325
129 HG12 VAL 18 HG12 VAL 18 0.728 -1.576 -0.202
130 HG13 VAL 18 HG13 VAL 18 2.279 -2.330 0.161
131 HG21 VAL 18 HG21 VAL 18 -1.317 -2.266 1.230
132 HG22 VAL 18 HG22 VAL 18 -0.369 -1.947 2.682
133 HG23 VAL 18 HG23 VAL 18 -1.100 -3.532 2.439
134 H CYS 19 HN CYS 19 1.020 -3.783 -2.177
135 HA CYS 19 HA CYS 19 -1.632 -3.223 -3.201
136 HB2 CYS 19 HB2 CYS 19 -0.725 -1.055 -2.289
137 HB3 CYS 19 HB1 CYS 19 0.580 -1.177 -3.464
Start of MODEL 8
1 H1 ILE 1 HT1 ILE 1 -6.976 -7.445 -5.485
2 H2 ILE 1 HT2 ILE 1 -7.503 -5.856 -5.726
3 H3 ILE 1 HT3 ILE 1 -8.061 -6.738 -4.400
4 HA ILE 1 HA ILE 1 -5.886 -6.792 -3.433
5 HB ILE 1 HB ILE 1 -4.077 -5.416 -4.428
6 HG12 ILE 1 HG12 ILE 1 -5.868 -5.355 -6.868
7 HG13 ILE 1 HG11 ILE 1 -5.485 -3.970 -5.851
8 HG21 ILE 1 HG21 ILE 1 -4.088 -7.827 -4.714
9 HG22 ILE 1 HG22 ILE 1 -3.431 -7.038 -6.149
10 HG23 ILE 1 HG23 ILE 1 -5.078 -7.667 -6.163
11 HD11 ILE 1 HD11 ILE 1 -3.516 -5.553 -7.485
12 HD12 ILE 1 HD12 ILE 1 -3.139 -4.157 -6.476
13 HD13 ILE 1 HD13 ILE 1 -4.171 -3.967 -7.892
14 H ARG 2 HN ARG 2 -5.462 -5.244 -1.875
15 HA ARG 2 HA ARG 2 -7.371 -3.108 -1.748
16 HB2 ARG 2 HB2 ARG 2 -5.153 -3.835 0.168
17 HB3 ARG 2 HB1 ARG 2 -6.425 -2.664 0.482
18 HG2 ARG 2 HG2 ARG 2 -8.089 -4.492 0.237
19 HG3 ARG 2 HG1 ARG 2 -6.746 -5.631 0.105
20 HD2 ARG 2 HD2 ARG 2 -7.323 -3.821 2.447
21 HD3 ARG 2 HD1 ARG 2 -7.621 -5.556 2.381
22 HE ARG 2 HE ARG 2 -5.009 -5.476 1.887
23 HH11 ARG 2 HH11 ARG 2 -6.908 -3.811 4.308
24 HH12 ARG 2 HH12 ARG 2 -5.610 -3.739 5.457
25 HH21 ARG 2 HH21 ARG 2 -3.297 -5.376 3.402
26 HH22 ARG 2 HH22 ARG 2 -3.552 -4.611 4.936
27 H ASP 3 HN ASP 3 -7.058 -1.043 -2.248
28 HA ASP 3 HA ASP 3 -4.457 -0.321 -3.361
29 HB2 ASP 3 HB2 ASP 3 -6.633 -0.022 -4.622
30 HB3 ASP 3 HB1 ASP 3 -7.042 1.242 -3.470
31 H GLU 4 HN GLU 4 -5.307 -0.392 -0.432
32 HA GLU 4 HA GLU 4 -5.519 2.228 0.553
33 HB2 GLU 4 HB2 GLU 4 -4.523 -0.279 1.905
34 HB3 GLU 4 HB1 GLU 4 -4.872 1.226 2.743
35 HG2 GLU 4 HG2 GLU 4 -6.842 -0.453 1.212
36 HG3 GLU 4 HG1 GLU 4 -6.709 -0.334 2.966
37 H CYS 5 HN CYS 5 -2.644 0.083 0.747
38 HA CYS 5 HA CYS 5 -0.996 2.225 1.607
39 HB2 CYS 5 HB2 CYS 5 -0.536 -0.631 0.858
40 HB3 CYS 5 HB1 CYS 5 0.829 0.449 1.079
41 H CYS 6 HN CYS 6 -2.156 1.407 -1.402
42 HA CYS 6 HA CYS 6 0.054 2.104 -3.025
43 HB2 CYS 6 HB2 CYS 6 -2.915 2.171 -3.547
44 HB3 CYS 6 HB1 CYS 6 -1.666 2.272 -4.785
45 H SER 7 HN SER 7 -2.490 3.916 -1.423
46 HA SER 7 HA SER 7 -1.764 6.400 -2.736
47 HB2 SER 7 HB2 SER 7 -3.587 5.967 -0.360
48 HB3 SER 7 HB1 SER 7 -3.522 7.388 -1.402
49 HG SER 7 HG SER 7 -3.909 5.374 -3.014
50 H ASN 8 HN ASN 8 -0.282 4.568 -0.596
51 HA ASN 8 HA ASN 8 0.788 6.805 0.989
52 HB2 ASN 8 HB2 ASN 8 0.360 3.933 1.811
53 HB3 ASN 8 HB1 ASN 8 1.215 5.126 2.776
54 HD21 ASN 8 HD21 ASN 8 -1.857 4.217 1.435
55 HD22 ASN 8 HD22 ASN 8 -2.832 5.120 2.549
56 HA PRO 9 HA PRO 9 4.067 5.148 -1.734
57 HB2 PRO 9 HB2 PRO 9 5.295 7.681 -0.756
58 HB3 PRO 9 HB1 PRO 9 5.216 7.038 -2.400
59 HG2 PRO 9 HG2 PRO 9 3.643 9.039 -1.683
60 HG3 PRO 9 HG1 PRO 9 3.004 7.721 -2.685
61 HD2 PRO 9 HD2 PRO 9 2.658 8.207 0.246
62 HD3 PRO 9 HD1 PRO 9 1.475 7.658 -0.953
63 H VAL 10 HN VAL 10 4.059 6.047 1.611
64 HA VAL 10 HA VAL 10 6.771 5.076 2.062
65 HB VAL 10 HB VAL 10 4.675 5.914 4.084
66 HG11 VAL 10 HG11 VAL 10 6.550 6.087 5.647
67 HG12 VAL 10 HG12 VAL 10 7.638 5.462 4.408
68 HG13 VAL 10 HG13 VAL 10 6.353 4.439 5.052
69 HG21 VAL 10 HG21 VAL 10 5.304 7.749 2.601
70 HG22 VAL 10 HG22 VAL 10 7.004 7.457 2.954
71 HG23 VAL 10 HG23 VAL 10 5.922 8.008 4.230
72 H CYS 11 HN CYS 11 3.465 3.952 2.400
73 HA CYS 11 HA CYS 11 4.222 1.575 3.807
74 HB2 CYS 11 HB2 CYS 11 1.907 2.549 3.922
75 HB3 CYS 11 HB1 CYS 11 1.667 2.037 2.253
76 H ARG 12 HN ARG 12 3.586 2.448 0.426
77 HA ARG 12 HA ARG 12 3.618 -0.239 -0.405
78 HB2 ARG 12 HB2 ARG 12 3.576 0.649 -2.719
79 HB3 ARG 12 HB1 ARG 12 2.268 1.196 -1.680
80 HG2 ARG 12 HG2 ARG 12 3.581 3.222 -1.246
81 HG3 ARG 12 HG1 ARG 12 4.726 2.705 -2.482
82 HD2 ARG 12 HD2 ARG 12 1.810 3.378 -2.825
83 HD3 ARG 12 HD1 ARG 12 3.195 4.212 -3.526
84 HE ARG 12 HE ARG 12 3.248 1.551 -4.390
85 HH11 ARG 12 HH11 ARG 12 1.302 4.437 -4.818
86 HH12 ARG 12 HH12 ARG 12 0.722 3.963 -6.382
87 HH21 ARG 12 HH21 ARG 12 2.479 0.930 -6.444
88 HH22 ARG 12 HH22 ARG 12 1.396 1.974 -7.309
89 H VAL 13 HN VAL 13 6.119 1.955 0.101
90 HA VAL 13 HA VAL 13 7.999 0.574 -1.566
91 HB VAL 13 HB VAL 13 9.657 1.981 -0.282
92 HG11 VAL 13 HG11 VAL 13 9.034 4.044 -1.429
93 HG12 VAL 13 HG12 VAL 13 7.413 3.404 -1.689
94 HG13 VAL 13 HG13 VAL 13 8.797 2.640 -2.467
95 HG21 VAL 13 HG21 VAL 13 7.136 3.152 0.841
96 HG22 VAL 13 HG22 VAL 13 8.756 3.836 1.025
97 HG23 VAL 13 HG23 VAL 13 8.368 2.268 1.738
98 H ASN 14 HN ASN 14 6.975 0.460 1.811
99 HA ASN 14 HA ASN 14 9.254 -1.216 2.490
100 HB2 ASN 14 HB2 ASN 14 8.835 -0.781 4.697
101 HB3 ASN 14 HB1 ASN 14 8.077 0.635 3.982
102 HD21 ASN 14 HD21 ASN 14 5.835 0.789 3.972
103 HD22 ASN 14 HD22 ASN 14 4.841 -0.214 4.970
104 H ASN 15 HN ASN 15 5.803 -1.558 1.931
105 HA ASN 15 HA ASN 15 5.492 -4.096 3.076
106 HB2 ASN 15 HB2 ASN 15 3.369 -4.126 1.865
107 HB3 ASN 15 HB1 ASN 15 3.629 -2.575 2.631
108 HD21 ASN 15 HD21 ASN 15 5.198 -3.442 -0.417
109 HD22 ASN 15 HD22 ASN 15 4.271 -2.348 -1.386
110 HA HYP 16 HA HYP 16 7.180 -6.891 0.188
111 HB2 HYP 16 HB1 HYP 16 6.572 -8.707 1.334
112 HB3 HYP 16 HB2 HYP 16 5.091 -8.757 0.383
113 HG HYP 16 HG HYP 16 3.887 -8.206 2.206
114 HD22 HYP 16 HD22 HYP 16 3.941 -5.947 2.448
115 HD23 HYP 16 HD23 HYP 16 5.445 -6.079 3.343
116 HD1 HYP 16 HD1 HYP 16 5.642 -7.597 4.060
117 H HIS 17 HN HIS 17 3.775 -7.572 -0.304
118 HA HIS 17 HA HIS 17 3.714 -6.130 -2.830
119 HB2 HIS 17 HB2 HIS 17 3.364 -9.123 -2.612
120 HB3 HIS 17 HB1 HIS 17 2.661 -8.201 -3.932
121 HD1 HIS 17 HD1 HIS 17 4.249 -7.354 -5.760
122 HD2 HIS 17 HD2 HIS 17 6.165 -9.412 -2.707
123 HE1 HIS 17 HE1 HIS 17 6.571 -7.802 -6.605
124 HE2 HIS 17 HE2 HIS 17 7.758 -8.900 -4.674
125 H VAL 18 HN VAL 18 2.422 -5.390 -0.567
126 HA VAL 18 HA VAL 18 -0.245 -6.534 -0.588
127 HB VAL 18 HB VAL 18 -0.650 -5.428 1.419
128 HG11 VAL 18 HG11 VAL 18 0.869 -7.221 1.764
129 HG12 VAL 18 HG12 VAL 18 1.316 -5.900 2.844
130 HG13 VAL 18 HG13 VAL 18 2.243 -6.191 1.372
131 HG21 VAL 18 HG21 VAL 18 0.767 -3.638 2.346
132 HG22 VAL 18 HG22 VAL 18 -0.045 -3.188 0.848
133 HG23 VAL 18 HG23 VAL 18 1.664 -3.616 0.829
134 H CYS 19 HN CYS 19 1.276 -4.363 -2.412
135 HA CYS 19 HA CYS 19 -1.231 -3.006 -3.067
136 HB2 CYS 19 HB2 CYS 19 -0.023 -1.299 -1.922
137 HB3 CYS 19 HB1 CYS 19 1.483 -1.724 -2.722
Start of MODEL 9
1 H1 ILE 1 HT1 ILE 1 -11.973 -4.252 -1.822
2 H2 ILE 1 HT2 ILE 1 -11.411 -5.582 -2.693
3 H3 ILE 1 HT3 ILE 1 -12.533 -4.532 -3.392
4 HA ILE 1 HA ILE 1 -10.351 -4.146 -4.286
5 HB ILE 1 HB ILE 1 -10.123 -1.728 -3.750
6 HG12 ILE 1 HG12 ILE 1 -12.410 -2.232 -1.835
7 HG13 ILE 1 HG11 ILE 1 -10.751 -1.919 -1.346
8 HG21 ILE 1 HG21 ILE 1 -12.932 -2.703 -4.258
9 HG22 ILE 1 HG22 ILE 1 -11.669 -2.470 -5.468
10 HG23 ILE 1 HG23 ILE 1 -12.331 -1.082 -4.606
11 HD11 ILE 1 HD11 ILE 1 -12.523 -0.023 -2.870
12 HD12 ILE 1 HD12 ILE 1 -10.868 0.295 -2.352
13 HD13 ILE 1 HD13 ILE 1 -12.140 0.068 -1.152
14 H ARG 2 HN ARG 2 -8.207 -4.108 -4.017
15 HA ARG 2 HA ARG 2 -7.188 -4.180 -1.278
16 HB2 ARG 2 HB2 ARG 2 -6.067 -5.480 -3.764
17 HB3 ARG 2 HB1 ARG 2 -5.312 -5.526 -2.177
18 HG2 ARG 2 HG2 ARG 2 -7.264 -6.718 -1.293
19 HG3 ARG 2 HG1 ARG 2 -7.988 -6.698 -2.902
20 HD2 ARG 2 HD2 ARG 2 -6.125 -8.005 -3.771
21 HD3 ARG 2 HD1 ARG 2 -5.363 -7.995 -2.180
22 HE ARG 2 HE ARG 2 -8.046 -9.119 -2.358
23 HH11 ARG 2 HH11 ARG 2 -4.597 -9.716 -2.239
24 HH12 ARG 2 HH12 ARG 2 -4.770 -11.354 -1.696
25 HH21 ARG 2 HH21 ARG 2 -8.280 -11.269 -1.641
26 HH22 ARG 2 HH22 ARG 2 -6.870 -12.239 -1.360
27 H ASP 3 HN ASP 3 -7.299 -1.781 -1.599
28 HA ASP 3 HA ASP 3 -4.729 -0.786 -2.530
29 HB2 ASP 3 HB2 ASP 3 -6.425 -0.693 -4.442
30 HB3 ASP 3 HB1 ASP 3 -7.261 0.524 -3.490
31 H GLU 4 HN GLU 4 -4.565 -0.563 -0.229
32 HA GLU 4 HA GLU 4 -6.055 1.763 0.805
33 HB2 GLU 4 HB2 GLU 4 -5.629 0.899 3.081
34 HB3 GLU 4 HB1 GLU 4 -6.587 -0.205 2.108
35 HG2 GLU 4 HG2 GLU 4 -4.668 -1.621 1.750
36 HG3 GLU 4 HG1 GLU 4 -3.629 -0.477 2.596
37 H CYS 5 HN CYS 5 -2.910 0.144 0.816
38 HA CYS 5 HA CYS 5 -1.641 2.526 1.908
39 HB2 CYS 5 HB2 CYS 5 -0.909 -0.328 1.570
40 HB3 CYS 5 HB1 CYS 5 0.396 0.841 1.531
41 H CYS 6 HN CYS 6 -2.493 1.400 -1.088
42 HA CYS 6 HA CYS 6 -0.127 1.785 -2.573
43 HB2 CYS 6 HB2 CYS 6 -2.991 1.947 -3.500
44 HB3 CYS 6 HB1 CYS 6 -1.583 1.638 -4.504
45 H SER 7 HN SER 7 -2.571 3.973 -1.421
46 HA SER 7 HA SER 7 -1.606 6.153 -3.094
47 HB2 SER 7 HB2 SER 7 -4.051 5.866 -2.548
48 HB3 SER 7 HB1 SER 7 -3.663 6.238 -0.869
49 HG SER 7 HG SER 7 -3.722 8.262 -1.386
50 H ASN 8 HN ASN 8 -0.171 4.658 -0.838
51 HA ASN 8 HA ASN 8 0.814 7.027 0.598
52 HB2 ASN 8 HB2 ASN 8 0.387 4.250 1.712
53 HB3 ASN 8 HB1 ASN 8 1.133 5.585 2.581
54 HD21 ASN 8 HD21 ASN 8 -1.807 4.354 1.215
55 HD22 ASN 8 HD22 ASN 8 -2.892 5.350 2.124
56 HA PRO 9 HA PRO 9 4.192 5.096 -1.776
57 HB2 PRO 9 HB2 PRO 9 5.915 7.220 -1.478
58 HB3 PRO 9 HB1 PRO 9 4.692 7.100 -2.745
59 HG2 PRO 9 HG2 PRO 9 4.560 8.552 -0.135
60 HG3 PRO 9 HG1 PRO 9 4.045 9.092 -1.747
61 HD2 PRO 9 HD2 PRO 9 2.277 8.196 0.034
62 HD3 PRO 9 HD1 PRO 9 2.102 7.817 -1.688
63 H VAL 10 HN VAL 10 4.069 6.187 1.489
64 HA VAL 10 HA VAL 10 6.742 5.213 2.124
65 HB VAL 10 HB VAL 10 4.543 6.160 3.983
66 HG11 VAL 10 HG11 VAL 10 6.192 4.695 5.069
67 HG12 VAL 10 HG12 VAL 10 6.283 6.353 5.663
68 HG13 VAL 10 HG13 VAL 10 7.484 5.760 4.517
69 HG21 VAL 10 HG21 VAL 10 5.280 7.920 2.452
70 HG22 VAL 10 HG22 VAL 10 6.951 7.637 2.928
71 HG23 VAL 10 HG23 VAL 10 5.793 8.253 4.104
72 H CYS 11 HN CYS 11 3.382 4.204 2.562
73 HA CYS 11 HA CYS 11 4.053 1.903 4.093
74 HB2 CYS 11 HB2 CYS 11 1.790 2.993 4.070
75 HB3 CYS 11 HB1 CYS 11 1.547 2.339 2.457
76 H ARG 12 HN ARG 12 3.720 2.562 0.638
77 HA ARG 12 HA ARG 12 3.722 -0.215 0.022
78 HB2 ARG 12 HB2 ARG 12 3.782 0.553 -2.369
79 HB3 ARG 12 HB1 ARG 12 2.382 1.028 -1.415
80 HG2 ARG 12 HG2 ARG 12 3.438 3.173 -1.006
81 HG3 ARG 12 HG1 ARG 12 4.769 2.718 -2.072
82 HD2 ARG 12 HD2 ARG 12 1.865 2.960 -2.815
83 HD3 ARG 12 HD1 ARG 12 3.147 4.080 -3.273
84 HE ARG 12 HE ARG 12 4.017 1.692 -4.232
85 HH11 ARG 12 HH11 ARG 12 1.056 3.524 -4.639
86 HH12 ARG 12 HH12 ARG 12 0.736 2.890 -6.221
87 HH21 ARG 12 HH21 ARG 12 3.607 0.875 -6.320
88 HH22 ARG 12 HH22 ARG 12 2.191 1.392 -7.180
89 H VAL 13 HN VAL 13 6.216 2.068 0.401
90 HA VAL 13 HA VAL 13 8.094 0.748 -1.259
91 HB VAL 13 HB VAL 13 9.780 1.960 0.209
92 HG11 VAL 13 HG11 VAL 13 7.687 3.556 -1.236
93 HG12 VAL 13 HG12 VAL 13 9.093 2.784 -1.967
94 HG13 VAL 13 HG13 VAL 13 9.309 4.118 -0.835
95 HG21 VAL 13 HG21 VAL 13 7.257 3.155 1.285
96 HG22 VAL 13 HG22 VAL 13 8.878 3.809 1.542
97 HG23 VAL 13 HG23 VAL 13 8.451 2.220 2.181
98 H ASN 14 HN ASN 14 7.113 0.384 2.136
99 HA ASN 14 HA ASN 14 9.164 -1.455 2.835
100 HB2 ASN 14 HB2 ASN 14 6.394 -1.746 3.957
101 HB3 ASN 14 HB1 ASN 14 7.941 -1.999 4.752
102 HD21 ASN 14 HD21 ASN 14 5.408 0.118 4.130
103 HD22 ASN 14 HD22 ASN 14 6.063 1.523 4.914
104 H ASN 15 HN ASN 15 5.880 -1.950 1.611
105 HA ASN 15 HA ASN 15 6.136 -4.782 1.658
106 HB2 ASN 15 HB2 ASN 15 3.816 -4.752 1.065
107 HB3 ASN 15 HB1 ASN 15 4.076 -3.508 2.269
108 HD21 ASN 15 HD21 ASN 15 2.297 -2.357 1.749
109 HD22 ASN 15 HD22 ASN 15 2.123 -1.474 0.277
110 HA HYP 16 HA HYP 16 7.155 -5.412 -2.628
111 HB2 HYP 16 HB1 HYP 16 7.450 -7.596 -2.182
112 HB3 HYP 16 HB2 HYP 16 5.832 -7.824 -2.842
113 HG HYP 16 HG HYP 16 5.048 -8.413 -0.816
114 HD22 HYP 16 HD22 HYP 16 4.663 -6.508 0.380
115 HD23 HYP 16 HD23 HYP 16 6.317 -6.559 0.951
116 HD1 HYP 16 HD1 HYP 16 7.134 -8.019 0.773
117 H HIS 17 HN HIS 17 5.100 -3.629 -2.450
118 HA HIS 17 HA HIS 17 3.489 -2.681 -3.747
119 HB2 HIS 17 HB2 HIS 17 4.633 -3.743 -5.671
120 HB3 HIS 17 HB1 HIS 17 3.660 -5.188 -5.440
121 HD1 HIS 17 HD1 HIS 17 1.762 -5.320 -6.994
122 HD2 HIS 17 HD2 HIS 17 2.759 -1.378 -6.137
123 HE1 HIS 17 HE1 HIS 17 0.204 -3.915 -8.376
124 HE2 HIS 17 HE2 HIS 17 0.973 -1.549 -8.001
125 H VAL 18 HN VAL 18 3.100 -4.894 -1.622
126 HA VAL 18 HA VAL 18 0.342 -5.673 -2.209
127 HB VAL 18 HB VAL 18 2.011 -6.434 0.201
128 HG11 VAL 18 HG11 VAL 18 -0.401 -6.676 0.511
129 HG12 VAL 18 HG12 VAL 18 0.395 -8.248 0.457
130 HG13 VAL 18 HG13 VAL 18 -0.496 -7.661 -0.948
131 HG21 VAL 18 HG21 VAL 18 3.111 -7.221 -1.823
132 HG22 VAL 18 HG22 VAL 18 1.607 -7.961 -2.369
133 HG23 VAL 18 HG23 VAL 18 2.417 -8.572 -0.928
134 H CYS 19 HN CYS 19 -0.163 -3.361 -2.104
135 HA CYS 19 HA CYS 19 -0.064 -2.193 0.571
136 HB2 CYS 19 HB2 CYS 19 -0.724 -0.092 -0.784
137 HB3 CYS 19 HB1 CYS 19 0.911 -0.721 -0.944
Start of MODEL 10
1 H1 ILE 1 HT1 ILE 1 -8.930 -6.901 -1.225
2 H2 ILE 1 HT2 ILE 1 -9.979 -6.681 0.079
3 H3 ILE 1 HT3 ILE 1 -8.876 -7.960 0.092
4 HA ILE 1 HA ILE 1 -8.142 -6.176 1.533
5 HB ILE 1 HB ILE 1 -6.431 -6.333 -0.956
6 HG12 ILE 1 HG12 ILE 1 -7.040 -8.584 -0.255
7 HG13 ILE 1 HG11 ILE 1 -5.350 -8.278 0.127
8 HG21 ILE 1 HG21 ILE 1 -4.562 -5.993 0.588
9 HG22 ILE 1 HG22 ILE 1 -5.698 -5.846 1.928
10 HG23 ILE 1 HG23 ILE 1 -5.698 -4.645 0.637
11 HD11 ILE 1 HD11 ILE 1 -6.449 -9.475 1.919
12 HD12 ILE 1 HD12 ILE 1 -7.645 -8.189 2.066
13 HD13 ILE 1 HD13 ILE 1 -5.956 -7.871 2.455
14 H ARG 2 HN ARG 2 -8.060 -4.016 1.923
15 HA ARG 2 HA ARG 2 -9.026 -2.232 -0.124
16 HB2 ARG 2 HB2 ARG 2 -8.132 -1.563 2.674
17 HB3 ARG 2 HB1 ARG 2 -9.065 -0.533 1.606
18 HG2 ARG 2 HG2 ARG 2 -10.905 -2.181 1.699
19 HG3 ARG 2 HG1 ARG 2 -9.970 -3.106 2.876
20 HD2 ARG 2 HD2 ARG 2 -10.987 -0.282 3.183
21 HD3 ARG 2 HD1 ARG 2 -11.582 -1.712 4.021
22 HE ARG 2 HE ARG 2 -8.778 -1.084 4.424
23 HH11 ARG 2 HH11 ARG 2 -12.055 -0.794 5.629
24 HH12 ARG 2 HH12 ARG 2 -11.558 -0.421 7.249
25 HH21 ARG 2 HH21 ARG 2 -8.126 -0.574 6.549
26 HH22 ARG 2 HH22 ARG 2 -9.327 -0.286 7.767
27 H ASP 3 HN ASP 3 -7.660 -1.360 -1.548
28 HA ASP 3 HA ASP 3 -4.823 -1.273 -0.996
29 HB2 ASP 3 HB2 ASP 3 -6.405 -0.371 -3.411
30 HB3 ASP 3 HB1 ASP 3 -4.650 -0.327 -3.290
31 H GLU 4 HN GLU 4 -5.634 0.212 0.887
32 HA GLU 4 HA GLU 4 -6.137 2.940 0.125
33 HB2 GLU 4 HB2 GLU 4 -7.284 1.945 2.052
34 HB3 GLU 4 HB1 GLU 4 -5.733 1.661 2.834
35 HG2 GLU 4 HG2 GLU 4 -6.743 3.611 3.778
36 HG3 GLU 4 HG1 GLU 4 -5.330 4.069 2.831
37 H CYS 5 HN CYS 5 -3.641 1.220 2.018
38 HA CYS 5 HA CYS 5 -1.953 3.470 2.235
39 HB2 CYS 5 HB2 CYS 5 -0.530 2.071 3.388
40 HB3 CYS 5 HB1 CYS 5 -2.059 1.243 3.603
41 H CYS 6 HN CYS 6 -2.630 1.439 -0.356
42 HA CYS 6 HA CYS 6 -0.170 1.313 -1.705
43 HB2 CYS 6 HB2 CYS 6 -2.262 0.038 -2.251
44 HB3 CYS 6 HB1 CYS 6 -2.929 1.524 -2.914
45 H SER 7 HN SER 7 -2.492 3.879 -1.303
46 HA SER 7 HA SER 7 -1.336 5.532 -3.387
47 HB2 SER 7 HB2 SER 7 -3.312 6.355 -1.247
48 HB3 SER 7 HB1 SER 7 -3.035 7.119 -2.813
49 HG SER 7 HG SER 7 -3.630 4.725 -3.471
50 H ASN 8 HN ASN 8 -0.121 4.548 -0.661
51 HA ASN 8 HA ASN 8 0.903 7.149 0.282
52 HB2 ASN 8 HB2 ASN 8 0.469 4.541 1.724
53 HB3 ASN 8 HB1 ASN 8 1.340 5.893 2.428
54 HD21 ASN 8 HD21 ASN 8 -1.799 4.852 1.215
55 HD22 ASN 8 HD22 ASN 8 -2.729 5.998 2.118
56 HA PRO 9 HA PRO 9 4.575 5.425 -1.563
57 HB2 PRO 9 HB2 PRO 9 6.275 7.444 -0.810
58 HB3 PRO 9 HB1 PRO 9 5.190 7.536 -2.199
59 HG2 PRO 9 HG2 PRO 9 4.799 8.609 0.567
60 HG3 PRO 9 HG1 PRO 9 4.482 9.395 -0.993
61 HD2 PRO 9 HD2 PRO 9 2.507 8.306 0.432
62 HD3 PRO 9 HD1 PRO 9 2.520 8.200 -1.337
63 H VAL 10 HN VAL 10 4.064 6.118 1.759
64 HA VAL 10 HA VAL 10 6.600 5.000 2.621
65 HB VAL 10 HB VAL 10 4.160 5.780 4.242
66 HG11 VAL 10 HG11 VAL 10 6.956 5.109 5.154
67 HG12 VAL 10 HG12 VAL 10 5.520 4.116 5.401
68 HG13 VAL 10 HG13 VAL 10 5.647 5.692 6.181
69 HG21 VAL 10 HG21 VAL 10 5.444 7.766 4.833
70 HG22 VAL 10 HG22 VAL 10 5.208 7.668 3.090
71 HG23 VAL 10 HG23 VAL 10 6.762 7.233 3.794
72 H CYS 11 HN CYS 11 3.311 3.906 2.101
73 HA CYS 11 HA CYS 11 3.814 1.440 3.504
74 HB2 CYS 11 HB2 CYS 11 1.519 2.355 3.428
75 HB3 CYS 11 HB1 CYS 11 1.494 2.094 1.685
76 H ARG 12 HN ARG 12 3.605 2.510 0.128
77 HA ARG 12 HA ARG 12 3.888 -0.118 -0.840
78 HB2 ARG 12 HB2 ARG 12 4.356 1.065 -3.072
79 HB3 ARG 12 HB1 ARG 12 2.753 1.163 -2.356
80 HG2 ARG 12 HG2 ARG 12 3.428 3.317 -1.368
81 HG3 ARG 12 HG1 ARG 12 4.911 3.237 -2.320
82 HD2 ARG 12 HD2 ARG 12 3.458 2.994 -4.357
83 HD3 ARG 12 HD1 ARG 12 2.075 3.337 -3.320
84 HE ARG 12 HE ARG 12 4.214 5.305 -3.329
85 HH11 ARG 12 HH11 ARG 12 1.046 4.359 -4.475
86 HH12 ARG 12 HH12 ARG 12 0.658 5.936 -5.090
87 HH21 ARG 12 HH21 ARG 12 3.696 7.393 -4.125
88 HH22 ARG 12 HH22 ARG 12 2.156 7.659 -4.878
89 H VAL 13 HN VAL 13 6.157 2.115 0.228
90 HA VAL 13 HA VAL 13 8.381 1.070 -1.211
91 HB VAL 13 HB VAL 13 8.455 3.321 -0.316
92 HG11 VAL 13 HG11 VAL 13 8.372 3.824 1.993
93 HG12 VAL 13 HG12 VAL 13 8.446 2.119 2.433
94 HG13 VAL 13 HG13 VAL 13 6.999 2.762 1.651
95 HG21 VAL 13 HG21 VAL 13 10.575 3.231 0.913
96 HG22 VAL 13 HG22 VAL 13 10.579 2.204 -0.522
97 HG23 VAL 13 HG23 VAL 13 10.385 1.488 1.076
98 H ASN 14 HN ASN 14 6.935 0.464 1.997
99 HA ASN 14 HA ASN 14 9.034 -1.462 2.582
100 HB2 ASN 14 HB2 ASN 14 8.176 -1.606 4.776
101 HB3 ASN 14 HB1 ASN 14 8.048 0.087 4.333
102 HD21 ASN 14 HD21 ASN 14 6.046 1.024 4.153
103 HD22 ASN 14 HD22 ASN 14 4.594 0.222 4.638
104 H ASN 15 HN ASN 15 5.691 -1.469 1.555
105 HA ASN 15 HA ASN 15 5.196 -4.178 2.109
106 HB2 ASN 15 HB2 ASN 15 3.125 -3.660 1.492
107 HB3 ASN 15 HB1 ASN 15 3.684 -2.016 1.257
108 HD21 ASN 15 HD21 ASN 15 2.707 -1.281 -0.460
109 HD22 ASN 15 HD22 ASN 15 2.573 -2.047 -2.003
110 HA HYP 16 HA HYP 16 7.482 -6.122 -1.071
111 HB2 HYP 16 HB1 HYP 16 7.638 -7.944 0.229
112 HB3 HYP 16 HB2 HYP 16 6.202 -8.532 -0.606
113 HG HYP 16 HG HYP 16 4.961 -8.304 1.263
114 HD22 HYP 16 HD22 HYP 16 4.405 -6.118 1.580
115 HD23 HYP 16 HD23 HYP 16 5.958 -5.834 2.346
116 HD1 HYP 16 HD1 HYP 16 6.555 -7.268 3.054
117 H HIS 17 HN HIS 17 4.146 -7.274 -0.832
118 HA HIS 17 HA HIS 17 3.586 -6.433 -3.535
119 HB2 HIS 17 HB2 HIS 17 3.981 -9.311 -2.825
120 HB3 HIS 17 HB1 HIS 17 2.744 -8.889 -4.003
121 HD1 HIS 17 HD1 HIS 17 6.101 -9.935 -3.914
122 HD2 HIS 17 HD2 HIS 17 4.052 -7.039 -6.078
123 HE1 HIS 17 HE1 HIS 17 7.521 -9.467 -5.936
124 HE2 HIS 17 HE2 HIS 17 6.167 -7.852 -7.313
125 H VAL 18 HN VAL 18 2.374 -5.506 -1.243
126 HA VAL 18 HA VAL 18 -0.208 -6.908 -1.228
127 HB VAL 18 HB VAL 18 0.819 -5.938 0.921
128 HG11 VAL 18 HG11 VAL 18 0.305 -3.618 1.427
129 HG12 VAL 18 HG12 VAL 18 -0.302 -3.383 -0.211
130 HG13 VAL 18 HG13 VAL 18 1.404 -3.734 0.055
131 HG21 VAL 18 HG21 VAL 18 -1.384 -5.368 1.823
132 HG22 VAL 18 HG22 VAL 18 -1.449 -6.796 0.792
133 HG23 VAL 18 HG23 VAL 18 -2.018 -5.243 0.183
134 H CYS 19 HN CYS 19 1.348 -4.035 -2.368
135 HA CYS 19 HA CYS 19 -0.326 -3.807 -4.588
136 HB2 CYS 19 HB2 CYS 19 -1.910 -2.869 -2.863
137 HB3 CYS 19 HB1 CYS 19 -0.751 -1.569 -2.587
Start of MODEL 11
1 H1 ILE 1 HT1 ILE 1 -8.946 -1.943 -3.715
2 H2 ILE 1 HT2 ILE 1 -10.157 -2.701 -4.624
3 H3 ILE 1 HT3 ILE 1 -9.397 -3.540 -3.372
4 HA ILE 1 HA ILE 1 -11.091 -1.151 -3.055
5 HB ILE 1 HB ILE 1 -12.294 -3.250 -3.719
6 HG12 ILE 1 HG12 ILE 1 -12.908 -2.231 -0.939
7 HG13 ILE 1 HG11 ILE 1 -13.411 -1.458 -2.438
8 HG21 ILE 1 HG21 ILE 1 -10.863 -4.864 -2.625
9 HG22 ILE 1 HG22 ILE 1 -12.525 -5.036 -2.063
10 HG23 ILE 1 HG23 ILE 1 -11.327 -4.236 -1.046
11 HD11 ILE 1 HD11 ILE 1 -14.771 -3.399 -2.988
12 HD12 ILE 1 HD12 ILE 1 -15.224 -2.720 -1.425
13 HD13 ILE 1 HD13 ILE 1 -14.253 -4.191 -1.501
14 H ARG 2 HN ARG 2 -8.433 -2.545 -2.005
15 HA ARG 2 HA ARG 2 -8.725 -1.445 0.676
16 HB2 ARG 2 HB2 ARG 2 -7.595 -4.155 -0.012
17 HB3 ARG 2 HB1 ARG 2 -7.154 -3.319 1.467
18 HG2 ARG 2 HG2 ARG 2 -9.966 -4.074 0.702
19 HG3 ARG 2 HG1 ARG 2 -8.922 -5.015 1.767
20 HD2 ARG 2 HD2 ARG 2 -10.313 -3.733 3.183
21 HD3 ARG 2 HD1 ARG 2 -8.738 -2.947 3.205
22 HE ARG 2 HE ARG 2 -10.544 -1.869 1.243
23 HH11 ARG 2 HH11 ARG 2 -9.538 -1.706 4.593
24 HH12 ARG 2 HH12 ARG 2 -10.076 -0.073 4.802
25 HH21 ARG 2 HH21 ARG 2 -11.240 0.267 1.517
26 HH22 ARG 2 HH22 ARG 2 -11.045 1.051 3.050
27 H ASP 3 HN ASP 3 -7.745 -0.083 -1.406
28 HA ASP 3 HA ASP 3 -4.891 -0.600 -1.687
29 HB2 ASP 3 HB2 ASP 3 -6.725 1.255 -3.208
30 HB3 ASP 3 HB1 ASP 3 -5.039 0.943 -3.600
31 H GLU 4 HN GLU 4 -5.376 0.341 0.777
32 HA GLU 4 HA GLU 4 -5.208 3.163 1.020
33 HB2 GLU 4 HB2 GLU 4 -4.664 0.871 2.876
34 HB3 GLU 4 HB1 GLU 4 -4.209 2.501 3.339
35 HG2 GLU 4 HG2 GLU 4 -6.375 1.854 4.252
36 HG3 GLU 4 HG1 GLU 4 -6.505 3.230 3.160
37 H CYS 5 HN CYS 5 -2.693 0.676 1.567
38 HA CYS 5 HA CYS 5 -0.599 2.486 1.883
39 HB2 CYS 5 HB2 CYS 5 -0.675 -0.420 1.117
40 HB3 CYS 5 HB1 CYS 5 0.819 0.453 1.402
41 H CYS 6 HN CYS 6 -2.049 1.185 -0.956
42 HA CYS 6 HA CYS 6 -0.042 1.646 -2.838
43 HB2 CYS 6 HB2 CYS 6 -3.049 1.718 -3.016
44 HB3 CYS 6 HB1 CYS 6 -1.990 1.716 -4.422
45 H SER 7 HN SER 7 -2.284 3.808 -1.256
46 HA SER 7 HA SER 7 -1.669 5.995 -3.083
47 HB2 SER 7 HB2 SER 7 -3.994 5.692 -2.315
48 HB3 SER 7 HB1 SER 7 -3.470 5.891 -0.645
49 HG SER 7 HG SER 7 -4.298 7.778 -2.169
50 H ASN 8 HN ASN 8 -0.243 4.589 -0.497
51 HA ASN 8 HA ASN 8 0.889 7.111 0.535
52 HB2 ASN 8 HB2 ASN 8 0.427 4.490 1.951
53 HB3 ASN 8 HB1 ASN 8 1.316 5.840 2.642
54 HD21 ASN 8 HD21 ASN 8 -1.817 4.798 1.457
55 HD22 ASN 8 HD22 ASN 8 -2.739 5.941 2.386
56 HA PRO 9 HA PRO 9 4.292 5.130 -1.633
57 HB2 PRO 9 HB2 PRO 9 6.094 7.167 -1.159
58 HB3 PRO 9 HB1 PRO 9 4.948 7.130 -2.502
59 HG2 PRO 9 HG2 PRO 9 4.715 8.516 0.134
60 HG3 PRO 9 HG1 PRO 9 4.302 9.109 -1.486
61 HD2 PRO 9 HD2 PRO 9 2.416 8.232 0.174
62 HD3 PRO 9 HD1 PRO 9 2.322 7.889 -1.562
63 H VAL 10 HN VAL 10 4.140 6.137 1.671
64 HA VAL 10 HA VAL 10 6.744 5.078 2.366
65 HB VAL 10 HB VAL 10 5.580 6.961 3.580
66 HG11 VAL 10 HG11 VAL 10 3.368 6.037 3.785
67 HG12 VAL 10 HG12 VAL 10 4.030 6.401 5.377
68 HG13 VAL 10 HG13 VAL 10 3.986 4.736 4.799
69 HG21 VAL 10 HG21 VAL 10 6.448 6.312 5.774
70 HG22 VAL 10 HG22 VAL 10 7.557 5.874 4.478
71 HG23 VAL 10 HG23 VAL 10 6.547 4.639 5.229
72 H CYS 11 HN CYS 11 3.397 4.044 2.575
73 HA CYS 11 HA CYS 11 4.082 1.650 3.983
74 HB2 CYS 11 HB2 CYS 11 1.801 2.747 4.073
75 HB3 CYS 11 HB1 CYS 11 1.515 2.094 2.463
76 H ARG 12 HN ARG 12 3.432 2.477 0.587
77 HA ARG 12 HA ARG 12 3.487 -0.229 -0.203
78 HB2 ARG 12 HB2 ARG 12 3.598 0.693 -2.549
79 HB3 ARG 12 HB1 ARG 12 2.190 1.131 -1.586
80 HG2 ARG 12 HG2 ARG 12 3.325 3.216 -1.002
81 HG3 ARG 12 HG1 ARG 12 4.612 2.807 -2.133
82 HD2 ARG 12 HD2 ARG 12 1.699 3.210 -2.784
83 HD3 ARG 12 HD1 ARG 12 3.013 4.318 -3.172
84 HE ARG 12 HE ARG 12 3.446 1.716 -4.258
85 HH11 ARG 12 HH11 ARG 12 1.725 4.716 -4.779
86 HH12 ARG 12 HH12 ARG 12 1.628 4.508 -6.496
87 HH21 ARG 12 HH21 ARG 12 3.301 1.427 -6.518
88 HH22 ARG 12 HH22 ARG 12 2.500 2.628 -7.484
89 H VAL 13 HN VAL 13 5.948 2.119 0.150
90 HA VAL 13 HA VAL 13 7.869 0.974 -1.554
91 HB VAL 13 HB VAL 13 8.000 3.265 -0.720
92 HG11 VAL 13 HG11 VAL 13 8.449 3.801 1.538
93 HG12 VAL 13 HG12 VAL 13 8.710 2.107 1.954
94 HG13 VAL 13 HG13 VAL 13 7.088 2.666 1.528
95 HG21 VAL 13 HG21 VAL 13 10.347 3.316 -0.069
96 HG22 VAL 13 HG22 VAL 13 10.060 2.237 -1.432
97 HG23 VAL 13 HG23 VAL 13 10.309 1.573 0.181
98 H ASN 14 HN ASN 14 7.111 0.472 1.897
99 HA ASN 14 HA ASN 14 9.294 -1.453 2.124
100 HB2 ASN 14 HB2 ASN 14 8.900 -1.474 4.462
101 HB3 ASN 14 HB1 ASN 14 8.673 0.201 3.969
102 HD21 ASN 14 HD21 ASN 14 6.626 1.105 4.040
103 HD22 ASN 14 HD22 ASN 14 5.300 0.329 4.833
104 H ASN 15 HN ASN 15 5.927 -1.436 1.520
105 HA ASN 15 HA ASN 15 5.282 -3.970 2.556
106 HB2 ASN 15 HB2 ASN 15 3.221 -3.227 2.149
107 HB3 ASN 15 HB1 ASN 15 3.916 -1.782 1.436
108 HD21 ASN 15 HD21 ASN 15 4.205 -1.751 -0.851
109 HD22 ASN 15 HD22 ASN 15 3.183 -2.707 -1.865
110 HA HYP 16 HA HYP 16 7.035 -6.630 -0.440
111 HB2 HYP 16 HB1 HYP 16 6.887 -8.273 1.070
112 HB3 HYP 16 HB2 HYP 16 5.410 -8.754 0.238
113 HG HYP 16 HG HYP 16 4.141 -8.125 1.994
114 HD22 HYP 16 HD22 HYP 16 3.960 -5.852 2.127
115 HD23 HYP 16 HD23 HYP 16 5.537 -5.763 2.891
116 HD1 HYP 16 HD1 HYP 16 5.928 -7.189 3.703
117 H HIS 17 HN HIS 17 5.186 -4.964 -1.671
118 HA HIS 17 HA HIS 17 3.999 -4.794 -3.606
119 HB2 HIS 17 HB2 HIS 17 4.936 -7.641 -4.012
120 HB3 HIS 17 HB1 HIS 17 4.170 -6.652 -5.250
121 HD1 HIS 17 HD1 HIS 17 7.404 -7.594 -4.009
122 HD2 HIS 17 HD2 HIS 17 5.800 -4.201 -5.788
123 HE1 HIS 17 HE1 HIS 17 9.369 -6.293 -4.877
124 HE2 HIS 17 HE2 HIS 17 8.384 -4.160 -5.779
125 H VAL 18 HN VAL 18 2.533 -5.361 -1.336
126 HA VAL 18 HA VAL 18 0.392 -7.158 -2.251
127 HB VAL 18 HB VAL 18 0.463 -5.671 0.371
128 HG11 VAL 18 HG11 VAL 18 -0.975 -7.503 1.124
129 HG12 VAL 18 HG12 VAL 18 -0.894 -8.221 -0.483
130 HG13 VAL 18 HG13 VAL 18 -1.664 -6.651 -0.256
131 HG21 VAL 18 HG21 VAL 18 1.425 -7.714 1.386
132 HG22 VAL 18 HG22 VAL 18 2.536 -6.878 0.304
133 HG23 VAL 18 HG23 VAL 18 1.714 -8.343 -0.235
134 H CYS 19 HN CYS 19 1.058 -3.887 -1.173
135 HA CYS 19 HA CYS 19 -0.847 -2.796 -3.038
136 HB2 CYS 19 HB2 CYS 19 -2.208 -3.232 -0.979
137 HB3 CYS 19 HB1 CYS 19 -1.118 -2.188 -0.082
Start of MODEL 12
1 H1 ILE 1 HT1 ILE 1 -10.985 -7.311 -0.673
2 H2 ILE 1 HT2 ILE 1 -11.679 -5.890 -1.266
3 H3 ILE 1 HT3 ILE 1 -11.755 -6.243 0.383
4 HA ILE 1 HA ILE 1 -9.382 -6.042 0.589
5 HB ILE 1 HB ILE 1 -9.458 -5.218 -2.320
6 HG12 ILE 1 HG12 ILE 1 -8.216 -7.659 -1.029
7 HG13 ILE 1 HG11 ILE 1 -9.678 -7.662 -2.007
8 HG21 ILE 1 HG21 ILE 1 -7.019 -5.078 -2.111
9 HG22 ILE 1 HG22 ILE 1 -7.151 -5.448 -0.391
10 HG23 ILE 1 HG23 ILE 1 -7.836 -3.951 -1.027
11 HD11 ILE 1 HD11 ILE 1 -6.924 -6.912 -2.956
12 HD12 ILE 1 HD12 ILE 1 -8.388 -6.922 -3.938
13 HD13 ILE 1 HD13 ILE 1 -7.759 -8.431 -3.277
14 H ARG 2 HN ARG 2 -9.078 -4.234 1.720
15 HA ARG 2 HA ARG 2 -10.266 -1.755 0.740
16 HB2 ARG 2 HB2 ARG 2 -10.303 -2.765 3.585
17 HB3 ARG 2 HB1 ARG 2 -10.818 -1.159 3.089
18 HG2 ARG 2 HG2 ARG 2 -12.061 -3.737 2.159
19 HG3 ARG 2 HG1 ARG 2 -12.699 -2.697 3.435
20 HD2 ARG 2 HD2 ARG 2 -13.010 -0.897 1.864
21 HD3 ARG 2 HD1 ARG 2 -12.243 -1.832 0.584
22 HE ARG 2 HE ARG 2 -14.296 -3.414 1.326
23 HH11 ARG 2 HH11 ARG 2 -14.100 -0.037 0.431
24 HH12 ARG 2 HH12 ARG 2 -15.701 0.009 -0.236
25 HH21 ARG 2 HH21 ARG 2 -16.401 -3.359 0.448
26 HH22 ARG 2 HH22 ARG 2 -17.008 -1.884 -0.236
27 H ASP 3 HN ASP 3 -7.578 -2.732 0.510
28 HA ASP 3 HA ASP 3 -6.058 -1.120 2.393
29 HB2 ASP 3 HB2 ASP 3 -5.211 -3.143 0.319
30 HB3 ASP 3 HB1 ASP 3 -4.066 -2.161 1.227
31 H GLU 4 HN GLU 4 -6.257 0.937 1.825
32 HA GLU 4 HA GLU 4 -5.856 1.713 -0.972
33 HB2 GLU 4 HB2 GLU 4 -6.609 3.960 -0.149
34 HB3 GLU 4 HB1 GLU 4 -7.813 2.685 -0.035
35 HG2 GLU 4 HG2 GLU 4 -7.412 2.463 2.329
36 HG3 GLU 4 HG1 GLU 4 -6.084 3.620 2.246
37 H CYS 5 HN CYS 5 -3.834 1.014 1.314
38 HA CYS 5 HA CYS 5 -2.380 3.376 1.780
39 HB2 CYS 5 HB2 CYS 5 -0.961 2.094 3.018
40 HB3 CYS 5 HB1 CYS 5 -2.373 1.064 3.017
41 H CYS 6 HN CYS 6 -2.682 1.564 -1.032
42 HA CYS 6 HA CYS 6 -0.167 1.814 -2.215
43 HB2 CYS 6 HB2 CYS 6 -2.959 1.786 -3.312
44 HB3 CYS 6 HB1 CYS 6 -1.570 1.969 -4.367
45 H SER 7 HN SER 7 -2.618 4.194 -1.536
46 HA SER 7 HA SER 7 -1.370 6.198 -3.235
47 HB2 SER 7 HB2 SER 7 -3.854 6.111 -2.909
48 HB3 SER 7 HB1 SER 7 -3.608 6.523 -1.214
49 HG SER 7 HG SER 7 -2.579 8.464 -1.949
50 H ASN 8 HN ASN 8 -0.208 4.795 -0.805
51 HA ASN 8 HA ASN 8 0.856 7.184 0.537
52 HB2 ASN 8 HB2 ASN 8 0.201 4.497 1.755
53 HB3 ASN 8 HB1 ASN 8 1.012 5.808 2.603
54 HD21 ASN 8 HD21 ASN 8 -1.950 4.825 1.062
55 HD22 ASN 8 HD22 ASN 8 -3.003 5.884 1.940
56 HA PRO 9 HA PRO 9 4.174 5.065 -1.693
57 HB2 PRO 9 HB2 PRO 9 5.669 7.364 -0.528
58 HB3 PRO 9 HB1 PRO 9 5.668 6.757 -2.188
59 HG2 PRO 9 HG2 PRO 9 4.354 8.974 -1.573
60 HG3 PRO 9 HG1 PRO 9 3.641 7.791 -2.687
61 HD2 PRO 9 HD2 PRO 9 3.020 8.293 0.195
62 HD3 PRO 9 HD1 PRO 9 1.925 7.917 -1.146
63 H VAL 10 HN VAL 10 4.076 6.049 1.654
64 HA VAL 10 HA VAL 10 6.588 4.828 2.348
65 HB VAL 10 HB VAL 10 4.318 5.719 4.142
66 HG11 VAL 10 HG11 VAL 10 5.721 4.063 5.248
67 HG12 VAL 10 HG12 VAL 10 5.990 5.664 5.941
68 HG13 VAL 10 HG13 VAL 10 7.165 4.981 4.818
69 HG21 VAL 10 HG21 VAL 10 6.911 7.088 3.427
70 HG22 VAL 10 HG22 VAL 10 5.694 7.692 4.549
71 HG23 VAL 10 HG23 VAL 10 5.316 7.542 2.835
72 H CYS 11 HN CYS 11 3.210 3.855 2.363
73 HA CYS 11 HA CYS 11 3.590 1.455 3.816
74 HB2 CYS 11 HB2 CYS 11 1.357 2.407 3.566
75 HB3 CYS 11 HB1 CYS 11 1.434 2.179 1.822
76 H ARG 12 HN ARG 12 3.781 2.299 0.414
77 HA ARG 12 HA ARG 12 3.832 -0.437 -0.364
78 HB2 ARG 12 HB2 ARG 12 4.155 0.549 -2.702
79 HB3 ARG 12 HB1 ARG 12 2.618 0.790 -1.883
80 HG2 ARG 12 HG2 ARG 12 3.542 2.975 -1.102
81 HG3 ARG 12 HG1 ARG 12 4.858 2.730 -2.243
82 HD2 ARG 12 HD2 ARG 12 1.917 2.864 -2.891
83 HD3 ARG 12 HD1 ARG 12 3.111 4.114 -3.230
84 HE ARG 12 HE ARG 12 4.050 1.864 -4.485
85 HH11 ARG 12 HH11 ARG 12 1.120 3.779 -4.648
86 HH12 ARG 12 HH12 ARG 12 0.839 3.420 -6.323
87 HH21 ARG 12 HH21 ARG 12 3.679 1.396 -6.675
88 HH22 ARG 12 HH22 ARG 12 2.289 2.061 -7.475
89 H VAL 13 HN VAL 13 6.226 2.088 -0.092
90 HA VAL 13 HA VAL 13 8.285 0.864 -1.488
91 HB VAL 13 HB VAL 13 9.787 2.156 0.066
92 HG11 VAL 13 HG11 VAL 13 9.011 3.070 -2.053
93 HG12 VAL 13 HG12 VAL 13 9.111 4.329 -0.821
94 HG13 VAL 13 HG13 VAL 13 7.543 3.652 -1.264
95 HG21 VAL 13 HG21 VAL 13 8.602 2.250 2.076
96 HG22 VAL 13 HG22 VAL 13 7.130 2.794 1.277
97 HG23 VAL 13 HG23 VAL 13 8.510 3.892 1.434
98 H ASN 14 HN ASN 14 7.432 0.546 1.975
99 HA ASN 14 HA ASN 14 9.544 -1.444 2.238
100 HB2 ASN 14 HB2 ASN 14 8.934 -1.404 4.684
101 HB3 ASN 14 HB1 ASN 14 9.549 0.098 4.027
102 HD21 ASN 14 HD21 ASN 14 6.264 -1.045 3.568
103 HD22 ASN 14 HD22 ASN 14 5.540 0.205 4.501
104 H ASN 15 HN ASN 15 6.407 -1.529 1.293
105 HA ASN 15 HA ASN 15 6.276 -4.373 1.690
106 HB2 ASN 15 HB2 ASN 15 5.346 -3.445 3.831
107 HB3 ASN 15 HB1 ASN 15 4.080 -2.688 2.871
108 HD21 ASN 15 HD21 ASN 15 3.715 -4.585 4.950
109 HD22 ASN 15 HD22 ASN 15 2.965 -5.979 4.258
110 HA HYP 16 HA HYP 16 4.118 -3.072 -2.107
111 HB2 HYP 16 HB1 HYP 16 5.915 -3.240 -3.448
112 HB3 HYP 16 HB2 HYP 16 5.673 -4.987 -3.500
113 HG HYP 16 HG HYP 16 7.741 -5.076 -2.508
114 HD22 HYP 16 HD22 HYP 16 6.502 -5.761 -0.634
115 HD23 HYP 16 HD23 HYP 16 7.309 -4.352 0.055
116 HD1 HYP 16 HD1 HYP 16 7.584 -2.766 -1.020
117 H HIS 17 HN HIS 17 3.660 -5.465 -0.083
118 HA HIS 17 HA HIS 17 2.172 -7.140 -1.994
119 HB2 HIS 17 HB2 HIS 17 3.632 -7.911 0.513
120 HB3 HIS 17 HB1 HIS 17 2.347 -8.921 -0.142
121 HD1 HIS 17 HD1 HIS 17 5.878 -8.595 -0.249
122 HD2 HIS 17 HD2 HIS 17 2.948 -9.506 -3.051
123 HE1 HIS 17 HE1 HIS 17 7.077 -9.749 -2.132
124 HE2 HIS 17 HE2 HIS 17 5.305 -10.172 -3.870
125 H VAL 18 HN VAL 18 2.071 -5.489 1.114
126 HA VAL 18 HA VAL 18 -0.391 -6.440 2.028
127 HB VAL 18 HB VAL 18 1.133 -5.081 3.406
128 HG11 VAL 18 HG11 VAL 18 0.187 -2.771 1.719
129 HG12 VAL 18 HG12 VAL 18 1.819 -3.433 1.769
130 HG13 VAL 18 HG13 VAL 18 1.147 -2.639 3.191
131 HG21 VAL 18 HG21 VAL 18 -1.638 -3.919 3.155
132 HG22 VAL 18 HG22 VAL 18 -0.570 -3.743 4.548
133 HG23 VAL 18 HG23 VAL 18 -1.181 -5.335 4.101
134 H CYS 19 HN CYS 19 0.340 -4.049 -0.411
135 HA CYS 19 HA CYS 19 -2.542 -3.664 -0.829
136 HB2 CYS 19 HB2 CYS 19 -1.336 -1.646 0.070
137 HB3 CYS 19 HB1 CYS 19 -0.382 -1.630 -1.408
Start of MODEL 13
1 H1 ILE 1 HT1 ILE 1 -8.372 -3.718 7.513
2 H2 ILE 1 HT2 ILE 1 -9.900 -4.147 6.929
3 H3 ILE 1 HT3 ILE 1 -9.616 -2.575 7.480
4 HA ILE 1 HA ILE 1 -8.332 -3.835 5.141
5 HB ILE 1 HB ILE 1 -9.611 -2.050 3.865
6 HG12 ILE 1 HG12 ILE 1 -11.892 -1.581 5.065
7 HG13 ILE 1 HG11 ILE 1 -10.970 -1.848 6.537
8 HG21 ILE 1 HG21 ILE 1 -11.637 -3.427 3.713
9 HG22 ILE 1 HG22 ILE 1 -11.146 -4.284 5.173
10 HG23 ILE 1 HG23 ILE 1 -10.164 -4.396 3.714
11 HD11 ILE 1 HD11 ILE 1 -10.418 0.240 4.443
12 HD12 ILE 1 HD12 ILE 1 -9.440 -0.046 5.882
13 HD13 ILE 1 HD13 ILE 1 -11.107 0.505 6.045
14 H ARG 2 HN ARG 2 -7.005 -2.423 3.911
15 HA ARG 2 HA ARG 2 -6.343 0.176 4.892
16 HB2 ARG 2 HB2 ARG 2 -5.085 -1.442 6.407
17 HB3 ARG 2 HB1 ARG 2 -4.158 -1.904 4.989
18 HG2 ARG 2 HG2 ARG 2 -2.913 -0.306 6.278
19 HG3 ARG 2 HG1 ARG 2 -3.404 0.431 4.752
20 HD2 ARG 2 HD2 ARG 2 -3.726 2.002 6.563
21 HD3 ARG 2 HD1 ARG 2 -5.286 1.519 5.908
22 HE ARG 2 HE ARG 2 -4.569 -0.114 8.118
23 HH11 ARG 2 HH11 ARG 2 -5.801 3.068 7.292
24 HH12 ARG 2 HH12 ARG 2 -6.583 3.291 8.828
25 HH21 ARG 2 HH21 ARG 2 -5.606 0.185 10.127
26 HH22 ARG 2 HH22 ARG 2 -6.468 1.658 10.441
27 H ASP 3 HN ASP 3 -7.383 -0.478 2.528
28 HA ASP 3 HA ASP 3 -5.420 -1.081 0.536
29 HB2 ASP 3 HB2 ASP 3 -7.172 -0.946 -1.050
30 HB3 ASP 3 HB1 ASP 3 -7.928 -1.593 0.400
31 H GLU 4 HN GLU 4 -5.971 1.537 2.303
32 HA GLU 4 HA GLU 4 -5.720 3.660 0.414
33 HB2 GLU 4 HB2 GLU 4 -5.329 5.069 2.385
34 HB3 GLU 4 HB1 GLU 4 -6.711 4.009 2.633
35 HG2 GLU 4 HG2 GLU 4 -5.367 2.515 3.977
36 HG3 GLU 4 HG1 GLU 4 -3.933 3.490 3.669
37 H CYS 5 HN CYS 5 -3.523 1.484 1.902
38 HA CYS 5 HA CYS 5 -1.291 3.166 2.176
39 HB2 CYS 5 HB2 CYS 5 -1.882 0.321 2.445
40 HB3 CYS 5 HB1 CYS 5 -0.237 0.649 1.921
41 H CYS 6 HN CYS 6 -2.650 1.764 -0.617
42 HA CYS 6 HA CYS 6 -0.320 1.628 -2.229
43 HB2 CYS 6 HB2 CYS 6 -2.438 0.537 -2.838
44 HB3 CYS 6 HB1 CYS 6 -3.203 2.116 -2.984
45 H SER 7 HN SER 7 -2.617 4.211 -1.475
46 HA SER 7 HA SER 7 -1.336 6.075 -3.281
47 HB2 SER 7 HB2 SER 7 -3.800 6.118 -2.775
48 HB3 SER 7 HB1 SER 7 -3.405 6.633 -1.136
49 HG SER 7 HG SER 7 -2.291 8.087 -3.238
50 H ASN 8 HN ASN 8 -0.335 4.733 -0.593
51 HA ASN 8 HA ASN 8 0.940 7.155 0.505
52 HB2 ASN 8 HB2 ASN 8 0.157 4.554 1.794
53 HB3 ASN 8 HB1 ASN 8 1.270 5.679 2.556
54 HD21 ASN 8 HD21 ASN 8 -1.999 5.317 1.325
55 HD22 ASN 8 HD22 ASN 8 -2.707 6.546 2.329
56 HA PRO 9 HA PRO 9 4.277 5.069 -1.575
57 HB2 PRO 9 HB2 PRO 9 6.201 6.941 -1.019
58 HB3 PRO 9 HB1 PRO 9 5.027 7.099 -2.327
59 HG2 PRO 9 HG2 PRO 9 4.962 8.287 0.413
60 HG3 PRO 9 HG1 PRO 9 4.575 9.040 -1.146
61 HD2 PRO 9 HD2 PRO 9 2.659 8.164 0.507
62 HD3 PRO 9 HD1 PRO 9 2.487 8.043 -1.252
63 H VAL 10 HN VAL 10 4.084 5.982 1.740
64 HA VAL 10 HA VAL 10 6.620 4.860 2.511
65 HB VAL 10 HB VAL 10 4.223 5.498 4.252
66 HG11 VAL 10 HG11 VAL 10 5.801 3.978 5.322
67 HG12 VAL 10 HG12 VAL 10 5.847 5.569 6.080
68 HG13 VAL 10 HG13 VAL 10 7.124 5.088 4.965
69 HG21 VAL 10 HG21 VAL 10 6.632 7.178 3.566
70 HG22 VAL 10 HG22 VAL 10 5.405 7.594 4.761
71 HG23 VAL 10 HG23 VAL 10 4.973 7.476 3.056
72 H CYS 11 HN CYS 11 3.325 3.743 2.201
73 HA CYS 11 HA CYS 11 3.769 1.256 3.515
74 HB2 CYS 11 HB2 CYS 11 1.590 2.166 1.639
75 HB3 CYS 11 HB1 CYS 11 1.592 0.649 2.516
76 H ARG 12 HN ARG 12 3.335 2.209 0.096
77 HA ARG 12 HA ARG 12 3.671 -0.374 -0.895
78 HB2 ARG 12 HB2 ARG 12 3.984 0.751 -3.114
79 HB3 ARG 12 HB1 ARG 12 2.485 1.088 -2.260
80 HG2 ARG 12 HG2 ARG 12 3.474 3.141 -1.424
81 HG3 ARG 12 HG1 ARG 12 4.912 2.843 -2.403
82 HD2 ARG 12 HD2 ARG 12 2.162 3.624 -3.230
83 HD3 ARG 12 HD1 ARG 12 3.715 4.212 -3.819
84 HE ARG 12 HE ARG 12 2.565 1.574 -4.512
85 HH11 ARG 12 HH11 ARG 12 4.344 4.473 -5.431
86 HH12 ARG 12 HH12 ARG 12 4.623 3.920 -7.052
87 HH21 ARG 12 HH21 ARG 12 2.949 0.857 -6.609
88 HH22 ARG 12 HH22 ARG 12 3.840 1.860 -7.722
89 H VAL 13 HN VAL 13 5.994 1.863 0.108
90 HA VAL 13 HA VAL 13 8.105 0.624 -1.416
91 HB VAL 13 HB VAL 13 7.995 2.950 0.474
92 HG11 VAL 13 HG11 VAL 13 10.145 1.809 0.771
93 HG12 VAL 13 HG12 VAL 13 10.325 3.378 -0.008
94 HG13 VAL 13 HG13 VAL 13 10.423 1.901 -0.967
95 HG21 VAL 13 HG21 VAL 13 8.341 4.226 -1.510
96 HG22 VAL 13 HG22 VAL 13 7.049 3.054 -1.833
97 HG23 VAL 13 HG23 VAL 13 8.682 2.768 -2.447
98 H ASN 14 HN ASN 14 6.949 0.679 1.939
99 HA ASN 14 HA ASN 14 9.232 -0.843 2.831
100 HB2 ASN 14 HB2 ASN 14 8.453 -0.642 4.987
101 HB3 ASN 14 HB1 ASN 14 7.713 0.773 4.254
102 HD21 ASN 14 HD21 ASN 14 5.502 0.827 3.966
103 HD22 ASN 14 HD22 ASN 14 4.440 -0.315 4.718
104 H ASN 15 HN ASN 15 5.959 -1.503 1.781
105 HA ASN 15 HA ASN 15 6.177 -4.283 2.406
106 HB2 ASN 15 HB2 ASN 15 3.934 -4.419 1.687
107 HB3 ASN 15 HB1 ASN 15 4.051 -2.883 2.503
108 HD21 ASN 15 HD21 ASN 15 2.238 -2.092 1.532
109 HD22 ASN 15 HD22 ASN 15 2.168 -1.652 -0.139
110 HA HYP 16 HA HYP 16 7.981 -5.674 -1.310
111 HB2 HYP 16 HB1 HYP 16 7.809 -7.816 -0.716
112 HB3 HYP 16 HB2 HYP 16 6.350 -7.906 -1.698
113 HG HYP 16 HG HYP 16 5.106 -8.197 0.156
114 HD22 HYP 16 HD22 HYP 16 4.658 -6.117 0.972
115 HD23 HYP 16 HD23 HYP 16 6.115 -6.210 1.938
116 HD1 HYP 16 HD1 HYP 16 6.800 -7.729 2.142
117 H HIS 17 HN HIS 17 6.173 -3.665 -1.909
118 HA HIS 17 HA HIS 17 5.068 -2.706 -3.634
119 HB2 HIS 17 HB2 HIS 17 7.040 -3.654 -4.881
120 HB3 HIS 17 HB1 HIS 17 6.039 -5.040 -5.295
121 HD1 HIS 17 HD1 HIS 17 4.760 -4.845 -7.417
122 HD2 HIS 17 HD2 HIS 17 5.903 -1.136 -5.933
123 HE1 HIS 17 HE1 HIS 17 4.085 -3.177 -9.172
124 HE2 HIS 17 HE2 HIS 17 4.963 -0.971 -8.336
125 H VAL 18 HN VAL 18 3.351 -3.812 -2.072
126 HA VAL 18 HA VAL 18 1.666 -5.776 -3.268
127 HB VAL 18 HB VAL 18 1.016 -3.747 -1.117
128 HG11 VAL 18 HG11 VAL 18 -0.441 -6.273 -1.896
129 HG12 VAL 18 HG12 VAL 18 -1.008 -4.625 -2.165
130 HG13 VAL 18 HG13 VAL 18 -0.830 -5.240 -0.522
131 HG21 VAL 18 HG21 VAL 18 1.906 -6.621 -0.916
132 HG22 VAL 18 HG22 VAL 18 1.401 -5.612 0.438
133 HG23 VAL 18 HG23 VAL 18 2.851 -5.200 -0.476
134 H CYS 19 HN CYS 19 1.829 -2.280 -3.373
135 HA CYS 19 HA CYS 19 0.225 -2.296 -5.770
136 HB2 CYS 19 HB2 CYS 19 -1.418 -2.014 -3.875
137 HB3 CYS 19 HB1 CYS 19 -0.603 -0.508 -3.469
Start of MODEL 14
1 H1 ILE 1 HT1 ILE 1 -6.602 -8.010 0.748
2 H2 ILE 1 HT2 ILE 1 -8.240 -7.907 1.149
3 H3 ILE 1 HT3 ILE 1 -7.196 -8.838 2.097
4 HA ILE 1 HA ILE 1 -7.742 -6.742 3.162
5 HB ILE 1 HB ILE 1 -5.434 -5.948 3.582
6 HG12 ILE 1 HG12 ILE 1 -4.656 -7.936 1.437
7 HG13 ILE 1 HG11 ILE 1 -4.574 -6.186 1.278
8 HG21 ILE 1 HG21 ILE 1 -5.743 -8.944 3.505
9 HG22 ILE 1 HG22 ILE 1 -6.296 -7.870 4.788
10 HG23 ILE 1 HG23 ILE 1 -4.570 -8.058 4.480
11 HD11 ILE 1 HD11 ILE 1 -2.391 -7.143 1.732
12 HD12 ILE 1 HD12 ILE 1 -3.000 -7.854 3.226
13 HD13 ILE 1 HD13 ILE 1 -2.911 -6.101 3.054
14 H ARG 2 HN ARG 2 -7.680 -4.476 3.141
15 HA ARG 2 HA ARG 2 -8.089 -3.276 0.596
16 HB2 ARG 2 HB2 ARG 2 -7.777 -1.999 3.320
17 HB3 ARG 2 HB1 ARG 2 -8.336 -1.173 1.873
18 HG2 ARG 2 HG2 ARG 2 -10.282 -2.681 1.792
19 HG3 ARG 2 HG1 ARG 2 -9.731 -3.437 3.289
20 HD2 ARG 2 HD2 ARG 2 -9.876 -1.270 4.424
21 HD3 ARG 2 HD1 ARG 2 -10.442 -0.531 2.932
22 HE ARG 2 HE ARG 2 -12.075 -2.730 3.796
23 HH11 ARG 2 HH11 ARG 2 -11.449 0.689 4.171
24 HH12 ARG 2 HH12 ARG 2 -13.061 1.061 4.692
25 HH21 ARG 2 HH21 ARG 2 -14.207 -2.247 4.514
26 HH22 ARG 2 HH22 ARG 2 -14.625 -0.608 4.903
27 H ASP 3 HN ASP 3 -6.673 -2.207 -0.668
28 HA ASP 3 HA ASP 3 -3.898 -2.160 0.265
29 HB2 ASP 3 HB2 ASP 3 -3.295 -2.043 -2.102
30 HB3 ASP 3 HB1 ASP 3 -4.264 -3.459 -1.736
31 H GLU 4 HN GLU 4 -5.505 -0.137 1.184
32 HA GLU 4 HA GLU 4 -5.481 2.220 -0.342
33 HB2 GLU 4 HB2 GLU 4 -5.791 3.421 1.788
34 HB3 GLU 4 HB1 GLU 4 -6.879 2.052 1.629
35 HG2 GLU 4 HG2 GLU 4 -5.657 0.774 3.191
36 HG3 GLU 4 HG1 GLU 4 -4.300 1.901 3.157
37 H CYS 5 HN CYS 5 -2.969 0.576 1.320
38 HA CYS 5 HA CYS 5 -1.150 2.639 1.776
39 HB2 CYS 5 HB2 CYS 5 -0.919 -0.306 1.318
40 HB3 CYS 5 HB1 CYS 5 0.526 0.679 1.399
41 H CYS 6 HN CYS 6 -2.365 1.550 -1.173
42 HA CYS 6 HA CYS 6 -0.074 1.948 -2.808
43 HB2 CYS 6 HB2 CYS 6 -2.184 0.752 -3.486
44 HB3 CYS 6 HB1 CYS 6 -2.973 2.326 -3.567
45 H SER 7 HN SER 7 -2.541 4.053 -1.477
46 HA SER 7 HA SER 7 -1.636 6.355 -2.993
47 HB2 SER 7 HB2 SER 7 -3.614 6.213 -0.700
48 HB3 SER 7 HB1 SER 7 -3.394 7.561 -1.816
49 HG SER 7 HG SER 7 -3.838 5.681 -3.432
50 H ASN 8 HN ASN 8 -0.420 4.669 -0.571
51 HA ASN 8 HA ASN 8 0.753 6.985 0.821
52 HB2 ASN 8 HB2 ASN 8 0.226 4.190 1.843
53 HB3 ASN 8 HB1 ASN 8 1.093 5.432 2.741
54 HD21 ASN 8 HD21 ASN 8 -1.967 4.571 1.321
55 HD22 ASN 8 HD22 ASN 8 -2.952 5.548 2.359
56 HA PRO 9 HA PRO 9 3.937 4.997 -1.772
57 HB2 PRO 9 HB2 PRO 9 5.754 7.055 -1.449
58 HB3 PRO 9 HB1 PRO 9 4.515 6.995 -2.702
59 HG2 PRO 9 HG2 PRO 9 4.462 8.408 -0.070
60 HG3 PRO 9 HG1 PRO 9 3.930 8.982 -1.663
61 HD2 PRO 9 HD2 PRO 9 2.167 8.115 0.125
62 HD3 PRO 9 HD1 PRO 9 1.966 7.731 -1.594
63 H VAL 10 HN VAL 10 4.060 6.099 1.514
64 HA VAL 10 HA VAL 10 6.734 5.063 1.975
65 HB VAL 10 HB VAL 10 4.682 6.050 3.974
66 HG11 VAL 10 HG11 VAL 10 6.572 6.229 5.524
67 HG12 VAL 10 HG12 VAL 10 7.632 5.511 4.311
68 HG13 VAL 10 HG13 VAL 10 6.317 4.563 5.006
69 HG21 VAL 10 HG21 VAL 10 7.064 7.454 2.765
70 HG22 VAL 10 HG22 VAL 10 6.006 8.103 4.015
71 HG23 VAL 10 HG23 VAL 10 5.373 7.789 2.402
72 H CYS 11 HN CYS 11 3.426 4.032 2.380
73 HA CYS 11 HA CYS 11 4.102 1.751 3.978
74 HB2 CYS 11 HB2 CYS 11 1.859 2.850 4.050
75 HB3 CYS 11 HB1 CYS 11 1.558 2.258 2.421
76 H ARG 12 HN ARG 12 3.756 2.427 0.542
77 HA ARG 12 HA ARG 12 3.703 -0.352 -0.084
78 HB2 ARG 12 HB2 ARG 12 3.738 0.409 -2.475
79 HB3 ARG 12 HB1 ARG 12 2.359 0.917 -1.510
80 HG2 ARG 12 HG2 ARG 12 3.534 3.036 -1.110
81 HG3 ARG 12 HG1 ARG 12 4.754 2.538 -2.281
82 HD2 ARG 12 HD2 ARG 12 1.829 3.056 -2.743
83 HD3 ARG 12 HD1 ARG 12 3.198 3.916 -3.444
84 HE ARG 12 HE ARG 12 2.855 1.070 -4.074
85 HH11 ARG 12 HH11 ARG 12 2.777 4.413 -5.125
86 HH12 ARG 12 HH12 ARG 12 2.679 4.004 -6.807
87 HH21 ARG 12 HH21 ARG 12 2.720 0.544 -6.270
88 HH22 ARG 12 HH22 ARG 12 2.649 1.809 -7.462
89 H VAL 13 HN VAL 13 6.176 1.982 0.194
90 HA VAL 13 HA VAL 13 8.087 0.644 -1.409
91 HB VAL 13 HB VAL 13 9.733 2.016 -0.127
92 HG11 VAL 13 HG11 VAL 13 8.741 2.829 -2.190
93 HG12 VAL 13 HG12 VAL 13 8.986 4.151 -1.050
94 HG13 VAL 13 HG13 VAL 13 7.376 3.472 -1.279
95 HG21 VAL 13 HG21 VAL 13 8.741 2.217 1.991
96 HG22 VAL 13 HG22 VAL 13 7.237 2.830 1.306
97 HG23 VAL 13 HG23 VAL 13 8.694 3.834 1.287
98 H ASN 14 HN ASN 14 7.201 0.439 2.025
99 HA ASN 14 HA ASN 14 9.366 -1.445 2.515
100 HB2 ASN 14 HB2 ASN 14 8.693 -1.449 4.804
101 HB3 ASN 14 HB1 ASN 14 8.609 0.220 4.253
102 HD21 ASN 14 HD21 ASN 14 6.624 1.226 4.101
103 HD22 ASN 14 HD22 ASN 14 5.178 0.525 4.733
104 H ASN 15 HN ASN 15 6.297 -1.584 1.263
105 HA ASN 15 HA ASN 15 6.153 -4.472 1.712
106 HB2 ASN 15 HB2 ASN 15 4.566 -3.383 3.264
107 HB3 ASN 15 HB1 ASN 15 3.842 -2.548 1.899
108 HD21 ASN 15 HD21 ASN 15 1.840 -3.433 2.352
109 HD22 ASN 15 HD22 ASN 15 1.466 -5.081 1.994
110 HA HYP 16 HA HYP 16 5.974 -3.099 -2.677
111 HB2 HYP 16 HB1 HYP 16 8.126 -3.463 -3.143
112 HB3 HYP 16 HB2 HYP 16 7.803 -5.190 -3.288
113 HG HYP 16 HG HYP 16 9.214 -5.375 -1.499
114 HD22 HYP 16 HD22 HYP 16 7.304 -5.907 -0.277
115 HD23 HYP 16 HD23 HYP 16 7.773 -4.471 0.610
116 HD1 HYP 16 HD1 HYP 16 8.680 -3.104 -0.142
117 H HIS 17 HN HIS 17 4.018 -4.999 -1.545
118 HA HIS 17 HA HIS 17 3.426 -6.279 -4.087
119 HB2 HIS 17 HB2 HIS 17 4.633 -7.921 -2.480
120 HB3 HIS 17 HB1 HIS 17 3.107 -7.941 -1.603
121 HD1 HIS 17 HD1 HIS 17 1.674 -9.837 -2.277
122 HD2 HIS 17 HD2 HIS 17 4.035 -8.493 -5.422
123 HE1 HIS 17 HE1 HIS 17 1.125 -11.335 -4.222
124 HE2 HIS 17 HE2 HIS 17 2.691 -10.606 -6.057
125 H VAL 18 HN VAL 18 2.474 -4.164 -1.993
126 HA VAL 18 HA VAL 18 -0.297 -5.061 -1.752
127 HB VAL 18 HB VAL 18 0.773 -3.976 0.210
128 HG11 VAL 18 HG11 VAL 18 1.102 -1.537 0.208
129 HG12 VAL 18 HG12 VAL 18 0.808 -1.518 -1.530
130 HG13 VAL 18 HG13 VAL 18 2.205 -2.374 -0.881
131 HG21 VAL 18 HG21 VAL 18 -1.645 -3.953 -0.023
132 HG22 VAL 18 HG22 VAL 18 -1.555 -2.456 -0.948
133 HG23 VAL 18 HG23 VAL 18 -1.077 -2.472 0.748
134 H CYS 19 HN CYS 19 1.728 -2.829 -3.479
135 HA CYS 19 HA CYS 19 -0.056 -2.573 -5.634
136 HB2 CYS 19 HB2 CYS 19 -1.160 -1.044 -3.913
137 HB3 CYS 19 HB1 CYS 19 0.254 -0.005 -4.066
Start of MODEL 15
1 H1 ILE 1 HT1 ILE 1 -7.605 -4.378 6.827
2 H2 ILE 1 HT2 ILE 1 -6.729 -5.791 6.531
3 H3 ILE 1 HT3 ILE 1 -7.584 -5.049 5.276
4 HA ILE 1 HA ILE 1 -5.284 -3.871 6.711
5 HB ILE 1 HB ILE 1 -4.079 -4.137 4.566
6 HG12 ILE 1 HG12 ILE 1 -6.436 -5.864 3.765
7 HG13 ILE 1 HG11 ILE 1 -6.069 -4.279 3.096
8 HG21 ILE 1 HG21 ILE 1 -5.103 -6.703 5.775
9 HG22 ILE 1 HG22 ILE 1 -3.735 -5.747 6.345
10 HG23 ILE 1 HG23 ILE 1 -3.659 -6.547 4.776
11 HD11 ILE 1 HD11 ILE 1 -3.978 -5.143 2.194
12 HD12 ILE 1 HD12 ILE 1 -5.364 -6.061 1.606
13 HD13 ILE 1 HD13 ILE 1 -4.337 -6.730 2.874
14 H ARG 2 HN ARG 2 -4.654 -1.822 5.956
15 HA ARG 2 HA ARG 2 -6.798 -0.242 4.902
16 HB2 ARG 2 HB2 ARG 2 -5.287 0.582 6.700
17 HB3 ARG 2 HB1 ARG 2 -3.965 0.589 5.542
18 HG2 ARG 2 HG2 ARG 2 -5.153 2.236 4.189
19 HG3 ARG 2 HG1 ARG 2 -6.482 2.228 5.349
20 HD2 ARG 2 HD2 ARG 2 -4.931 3.006 7.095
21 HD3 ARG 2 HD1 ARG 2 -3.637 3.063 5.896
22 HE ARG 2 HE ARG 2 -6.000 4.613 5.241
23 HH11 ARG 2 HH11 ARG 2 -2.848 4.619 6.778
24 HH12 ARG 2 HH12 ARG 2 -2.629 6.333 6.620
25 HH21 ARG 2 HH21 ARG 2 -5.713 6.869 5.037
26 HH22 ARG 2 HH22 ARG 2 -4.267 7.617 5.634
27 H ASP 3 HN ASP 3 -7.174 -0.672 2.794
28 HA ASP 3 HA ASP 3 -5.065 -1.184 0.941
29 HB2 ASP 3 HB2 ASP 3 -6.824 -1.312 -0.758
30 HB3 ASP 3 HB1 ASP 3 -7.251 -2.254 0.664
31 H GLU 4 HN GLU 4 -5.991 1.566 2.285
32 HA GLU 4 HA GLU 4 -5.902 3.365 0.058
33 HB2 GLU 4 HB2 GLU 4 -5.385 3.945 2.976
34 HB3 GLU 4 HB1 GLU 4 -5.713 5.132 1.724
35 HG2 GLU 4 HG2 GLU 4 -7.954 4.182 1.437
36 HG3 GLU 4 HG1 GLU 4 -7.618 3.040 2.741
37 H CYS 5 HN CYS 5 -3.603 1.554 1.726
38 HA CYS 5 HA CYS 5 -1.447 3.333 1.856
39 HB2 CYS 5 HB2 CYS 5 -1.835 0.423 2.107
40 HB3 CYS 5 HB1 CYS 5 -0.210 0.955 1.717
41 H CYS 6 HN CYS 6 -2.887 1.983 -0.890
42 HA CYS 6 HA CYS 6 -0.670 1.822 -2.617
43 HB2 CYS 6 HB2 CYS 6 -3.433 2.794 -3.337
44 HB3 CYS 6 HB1 CYS 6 -2.266 2.022 -4.392
45 H SER 7 HN SER 7 -2.682 4.466 -1.473
46 HA SER 7 HA SER 7 -1.379 6.423 -3.176
47 HB2 SER 7 HB2 SER 7 -3.432 6.840 -0.985
48 HB3 SER 7 HB1 SER 7 -2.975 7.998 -2.235
49 HG SER 7 HG SER 7 -3.949 6.750 -3.766
50 H ASN 8 HN ASN 8 -0.378 4.828 -0.656
51 HA ASN 8 HA ASN 8 0.979 7.114 0.621
52 HB2 ASN 8 HB2 ASN 8 0.127 4.467 1.789
53 HB3 ASN 8 HB1 ASN 8 1.203 5.584 2.612
54 HD21 ASN 8 HD21 ASN 8 -2.029 5.201 1.317
55 HD22 ASN 8 HD22 ASN 8 -2.785 6.367 2.351
56 HA PRO 9 HA PRO 9 4.146 4.763 -1.676
57 HB2 PRO 9 HB2 PRO 9 5.658 7.158 -0.740
58 HB3 PRO 9 HB1 PRO 9 5.665 6.381 -2.327
59 HG2 PRO 9 HG2 PRO 9 4.342 8.648 -1.955
60 HG3 PRO 9 HG1 PRO 9 3.638 7.351 -2.942
61 HD2 PRO 9 HD2 PRO 9 2.990 8.163 -0.141
62 HD3 PRO 9 HD1 PRO 9 1.912 7.614 -1.433
63 H VAL 10 HN VAL 10 4.059 5.992 1.587
64 HA VAL 10 HA VAL 10 6.528 4.902 2.464
65 HB VAL 10 HB VAL 10 5.249 6.597 3.728
66 HG11 VAL 10 HG11 VAL 10 3.410 4.347 4.462
67 HG12 VAL 10 HG12 VAL 10 3.008 5.745 3.472
68 HG13 VAL 10 HG13 VAL 10 3.402 5.958 5.174
69 HG21 VAL 10 HG21 VAL 10 7.011 5.381 4.842
70 HG22 VAL 10 HG22 VAL 10 5.885 4.086 5.252
71 HG23 VAL 10 HG23 VAL 10 5.690 5.685 5.970
72 H CYS 11 HN CYS 11 3.226 3.672 2.550
73 HA CYS 11 HA CYS 11 3.726 1.202 3.745
74 HB2 CYS 11 HB2 CYS 11 1.617 1.925 1.708
75 HB3 CYS 11 HB1 CYS 11 1.594 0.518 2.748
76 H ARG 12 HN ARG 12 3.422 2.041 0.309
77 HA ARG 12 HA ARG 12 3.810 -0.615 -0.528
78 HB2 ARG 12 HB2 ARG 12 3.977 0.446 -2.849
79 HB3 ARG 12 HB1 ARG 12 2.451 0.500 -1.978
80 HG2 ARG 12 HG2 ARG 12 3.095 2.749 -1.178
81 HG3 ARG 12 HG1 ARG 12 4.460 2.697 -2.290
82 HD2 ARG 12 HD2 ARG 12 1.525 2.595 -2.951
83 HD3 ARG 12 HD1 ARG 12 2.664 3.878 -3.351
84 HE ARG 12 HE ARG 12 3.647 1.588 -4.531
85 HH11 ARG 12 HH11 ARG 12 0.743 3.527 -4.738
86 HH12 ARG 12 HH12 ARG 12 0.435 3.115 -6.395
87 HH21 ARG 12 HH21 ARG 12 3.243 1.033 -6.710
88 HH22 ARG 12 HH22 ARG 12 1.853 1.688 -7.517
89 H VAL 13 HN VAL 13 6.035 1.764 0.274
90 HA VAL 13 HA VAL 13 8.091 0.647 -1.413
91 HB VAL 13 HB VAL 13 7.974 2.965 0.478
92 HG11 VAL 13 HG11 VAL 13 10.412 1.980 -0.994
93 HG12 VAL 13 HG12 VAL 13 10.177 1.934 0.753
94 HG13 VAL 13 HG13 VAL 13 10.279 3.483 -0.082
95 HG21 VAL 13 HG21 VAL 13 8.211 4.225 -1.529
96 HG22 VAL 13 HG22 VAL 13 6.979 2.979 -1.815
97 HG23 VAL 13 HG23 VAL 13 8.615 2.776 -2.455
98 H ASN 14 HN ASN 14 7.325 0.736 2.081
99 HA ASN 14 HA ASN 14 9.607 -0.937 2.662
100 HB2 ASN 14 HB2 ASN 14 8.953 -0.936 4.912
101 HB3 ASN 14 HB1 ASN 14 8.502 0.665 4.341
102 HD21 ASN 14 HD21 ASN 14 6.322 1.199 4.197
103 HD22 ASN 14 HD22 ASN 14 5.086 0.225 4.918
104 H ASN 15 HN ASN 15 6.358 -1.364 1.696
105 HA ASN 15 HA ASN 15 6.675 -4.257 1.785
106 HB2 ASN 15 HB2 ASN 15 5.329 -3.373 3.785
107 HB3 ASN 15 HB1 ASN 15 4.117 -2.916 2.599
108 HD21 ASN 15 HD21 ASN 15 4.821 -5.377 0.983
109 HD22 ASN 15 HD22 ASN 15 4.027 -6.668 1.808
110 HA HYP 16 HA HYP 16 5.239 -2.696 -2.279
111 HB2 HYP 16 HB1 HYP 16 7.101 -3.132 -3.444
112 HB3 HYP 16 HB2 HYP 16 6.791 -4.866 -3.363
113 HG HYP 16 HG HYP 16 8.743 -4.839 -2.124
114 HD22 HYP 16 HD22 HYP 16 7.243 -5.524 -0.454
115 HD23 HYP 16 HD23 HYP 16 7.899 -4.092 0.315
116 HD1 HYP 16 HD1 HYP 16 8.332 -2.581 -0.667
117 H HIS 17 HN HIS 17 3.622 -4.353 -0.678
118 HA HIS 17 HA HIS 17 1.991 -5.549 -2.664
119 HB2 HIS 17 HB2 HIS 17 3.694 -7.370 -2.310
120 HB3 HIS 17 HB1 HIS 17 3.195 -7.445 -0.626
121 HD1 HIS 17 HD1 HIS 17 1.497 -9.171 -0.147
122 HD2 HIS 17 HD2 HIS 17 1.335 -7.909 -4.103
123 HE1 HIS 17 HE1 HIS 17 -0.248 -10.608 -1.245
124 HE2 HIS 17 HE2 HIS 17 -0.215 -9.931 -3.668
125 H VAL 18 HN VAL 18 1.996 -3.537 -0.587
126 HA VAL 18 HA VAL 18 0.616 -4.511 1.714
127 HB VAL 18 HB VAL 18 2.030 -2.497 1.794
128 HG11 VAL 18 HG11 VAL 18 -0.133 -1.193 0.148
129 HG12 VAL 18 HG12 VAL 18 1.501 -1.566 -0.396
130 HG13 VAL 18 HG13 VAL 18 1.247 -0.378 0.880
131 HG21 VAL 18 HG21 VAL 18 0.315 -2.825 3.489
132 HG22 VAL 18 HG22 VAL 18 -0.857 -1.970 2.485
133 HG23 VAL 18 HG23 VAL 18 0.535 -1.112 3.143
134 H CYS 19 HN CYS 19 -0.320 -3.219 -1.384
135 HA CYS 19 HA CYS 19 -3.029 -4.087 -0.807
136 HB2 CYS 19 HB2 CYS 19 -3.983 -2.054 -1.893
137 HB3 CYS 19 HB1 CYS 19 -3.206 -1.744 -0.347
Start of MODEL 16
1 H1 ILE 1 HT1 ILE 1 -10.400 -5.728 0.442
2 H2 ILE 1 HT2 ILE 1 -11.911 -6.354 0.020
3 H3 ILE 1 HT3 ILE 1 -11.787 -4.782 0.624
4 HA ILE 1 HA ILE 1 -10.634 -5.723 -1.931
5 HB ILE 1 HB ILE 1 -13.029 -3.943 -1.432
6 HG12 ILE 1 HG12 ILE 1 -13.528 -6.324 -1.075
7 HG13 ILE 1 HG11 ILE 1 -14.333 -5.714 -2.515
8 HG21 ILE 1 HG21 ILE 1 -11.775 -4.833 -4.025
9 HG22 ILE 1 HG22 ILE 1 -11.754 -3.202 -3.358
10 HG23 ILE 1 HG23 ILE 1 -13.279 -3.924 -3.870
11 HD11 ILE 1 HD11 ILE 1 -13.433 -7.927 -2.895
12 HD12 ILE 1 HD12 ILE 1 -11.821 -7.367 -2.454
13 HD13 ILE 1 HD13 ILE 1 -12.604 -6.742 -3.904
14 H ARG 2 HN ARG 2 -9.046 -4.493 -2.639
15 HA ARG 2 HA ARG 2 -7.569 -2.821 -2.949
16 HB2 ARG 2 HB2 ARG 2 -9.904 -1.184 -2.029
17 HB3 ARG 2 HB1 ARG 2 -8.375 -0.455 -2.488
18 HG2 ARG 2 HG2 ARG 2 -8.639 -1.558 -4.723
19 HG3 ARG 2 HG1 ARG 2 -10.272 -2.012 -4.223
20 HD2 ARG 2 HD2 ARG 2 -9.156 0.779 -4.463
21 HD3 ARG 2 HD1 ARG 2 -10.376 0.036 -5.497
22 HE ARG 2 HE ARG 2 -11.772 -0.062 -3.397
23 HH11 ARG 2 HH11 ARG 2 -9.331 2.412 -3.884
24 HH12 ARG 2 HH12 ARG 2 -10.103 3.547 -2.824
25 HH21 ARG 2 HH21 ARG 2 -12.776 1.441 -2.000
26 HH22 ARG 2 HH22 ARG 2 -12.056 3.006 -1.768
27 H ASP 3 HN ASP 3 -6.417 -0.970 -1.809
28 HA ASP 3 HA ASP 3 -6.566 -1.018 1.087
29 HB2 ASP 3 HB2 ASP 3 -4.912 -2.819 0.308
30 HB3 ASP 3 HB1 ASP 3 -3.910 -1.492 -0.271
31 H GLU 4 HN GLU 4 -6.345 1.000 1.800
32 HA GLU 4 HA GLU 4 -6.010 3.124 -0.047
33 HB2 GLU 4 HB2 GLU 4 -6.151 3.149 2.967
34 HB3 GLU 4 HB1 GLU 4 -6.181 4.590 1.959
35 HG2 GLU 4 HG2 GLU 4 -8.198 2.359 1.848
36 HG3 GLU 4 HG1 GLU 4 -8.415 3.886 2.700
37 H CYS 5 HN CYS 5 -3.760 1.317 1.787
38 HA CYS 5 HA CYS 5 -1.736 3.278 2.083
39 HB2 CYS 5 HB2 CYS 5 -2.011 0.424 2.489
40 HB3 CYS 5 HB1 CYS 5 -0.449 0.816 1.782
41 H CYS 6 HN CYS 6 -3.018 1.815 -0.649
42 HA CYS 6 HA CYS 6 -0.787 1.688 -2.361
43 HB2 CYS 6 HB2 CYS 6 -3.091 0.761 -2.795
44 HB3 CYS 6 HB1 CYS 6 -3.622 2.410 -3.108
45 H SER 7 HN SER 7 -2.813 4.323 -1.265
46 HA SER 7 HA SER 7 -1.651 6.209 -3.147
47 HB2 SER 7 HB2 SER 7 -4.082 6.267 -2.506
48 HB3 SER 7 HB1 SER 7 -3.593 6.719 -0.875
49 HG SER 7 HG SER 7 -2.400 8.319 -2.683
50 H ASN 8 HN ASN 8 -0.203 4.792 -0.876
51 HA ASN 8 HA ASN 8 0.997 7.170 0.372
52 HB2 ASN 8 HB2 ASN 8 0.238 4.571 1.690
53 HB3 ASN 8 HB1 ASN 8 1.283 5.766 2.437
54 HD21 ASN 8 HD21 ASN 8 -1.949 5.125 1.286
55 HD22 ASN 8 HD22 ASN 8 -2.731 6.353 2.220
56 HA PRO 9 HA PRO 9 4.331 4.969 -1.711
57 HB2 PRO 9 HB2 PRO 9 5.839 7.250 -0.542
58 HB3 PRO 9 HB1 PRO 9 5.850 6.637 -2.198
59 HG2 PRO 9 HG2 PRO 9 4.580 8.890 -1.601
60 HG3 PRO 9 HG1 PRO 9 3.868 7.728 -2.740
61 HD2 PRO 9 HD2 PRO 9 3.189 8.225 0.134
62 HD3 PRO 9 HD1 PRO 9 2.118 7.893 -1.239
63 H VAL 10 HN VAL 10 4.078 6.005 1.584
64 HA VAL 10 HA VAL 10 6.531 4.910 2.554
65 HB VAL 10 HB VAL 10 3.981 5.515 4.073
66 HG11 VAL 10 HG11 VAL 10 5.439 5.673 6.039
67 HG12 VAL 10 HG12 VAL 10 6.808 5.160 5.055
68 HG13 VAL 10 HG13 VAL 10 5.461 4.058 5.332
69 HG21 VAL 10 HG21 VAL 10 4.975 7.655 4.603
70 HG22 VAL 10 HG22 VAL 10 4.868 7.461 2.855
71 HG23 VAL 10 HG23 VAL 10 6.413 7.248 3.674
72 H CYS 11 HN CYS 11 3.276 3.706 2.144
73 HA CYS 11 HA CYS 11 3.686 1.265 3.526
74 HB2 CYS 11 HB2 CYS 11 1.682 1.969 1.385
75 HB3 CYS 11 HB1 CYS 11 1.566 0.638 2.529
76 H ARG 12 HN ARG 12 3.825 2.343 0.182
77 HA ARG 12 HA ARG 12 4.069 -0.203 -0.965
78 HB2 ARG 12 HB2 ARG 12 4.955 2.387 -2.165
79 HB3 ARG 12 HB1 ARG 12 4.319 0.983 -3.008
80 HG2 ARG 12 HG2 ARG 12 2.216 1.356 -1.743
81 HG3 ARG 12 HG1 ARG 12 2.891 2.902 -1.243
82 HD2 ARG 12 HD2 ARG 12 1.712 3.440 -3.097
83 HD3 ARG 12 HD1 ARG 12 3.327 3.275 -3.731
84 HE ARG 12 HE ARG 12 2.197 0.805 -4.047
85 HH11 ARG 12 HH11 ARG 12 1.363 4.039 -5.092
86 HH12 ARG 12 HH12 ARG 12 0.614 3.507 -6.563
87 HH21 ARG 12 HH21 ARG 12 1.205 0.090 -5.975
88 HH22 ARG 12 HH22 ARG 12 0.539 1.264 -7.073
89 H VAL 13 HN VAL 13 6.440 2.182 -0.084
90 HA VAL 13 HA VAL 13 8.678 0.928 -1.188
91 HB VAL 13 HB VAL 13 9.948 2.252 0.514
92 HG11 VAL 13 HG11 VAL 13 9.330 4.429 -0.434
93 HG12 VAL 13 HG12 VAL 13 7.866 3.703 -1.097
94 HG13 VAL 13 HG13 VAL 13 9.450 3.175 -1.669
95 HG21 VAL 13 HG21 VAL 13 8.512 3.964 1.729
96 HG22 VAL 13 HG22 VAL 13 8.526 2.318 2.363
97 HG23 VAL 13 HG23 VAL 13 7.159 2.873 1.393
98 H ASN 14 HN ASN 14 7.132 0.496 1.994
99 HA ASN 14 HA ASN 14 9.315 -1.221 2.837
100 HB2 ASN 14 HB2 ASN 14 8.572 -0.998 4.987
101 HB3 ASN 14 HB1 ASN 14 7.902 0.476 4.302
102 HD21 ASN 14 HD21 ASN 14 5.663 0.611 3.973
103 HD22 ASN 14 HD22 ASN 14 4.563 -0.498 4.720
104 H ASN 15 HN ASN 15 5.958 -1.558 1.831
105 HA ASN 15 HA ASN 15 5.980 -4.400 2.352
106 HB2 ASN 15 HB2 ASN 15 3.972 -2.369 1.484
107 HB3 ASN 15 HB1 ASN 15 3.712 -4.042 1.012
108 HD21 ASN 15 HD21 ASN 15 3.046 -5.501 2.498
109 HD22 ASN 15 HD22 ASN 15 2.666 -5.099 4.134
110 HA HYP 16 HA HYP 16 7.556 -5.596 -1.523
111 HB2 HYP 16 HB1 HYP 16 7.880 -7.648 -0.670
112 HB3 HYP 16 HB2 HYP 16 6.372 -8.092 -1.469
113 HG HYP 16 HG HYP 16 5.275 -8.243 0.503
114 HD22 HYP 16 HD22 HYP 16 4.952 -6.243 1.555
115 HD23 HYP 16 HD23 HYP 16 6.652 -6.158 1.998
116 HD1 HYP 16 HD1 HYP 16 7.135 -7.795 2.295
117 H HIS 17 HN HIS 17 4.125 -6.066 -0.936
118 HA HIS 17 HA HIS 17 3.485 -5.114 -3.558
119 HB2 HIS 17 HB2 HIS 17 2.151 -7.162 -4.196
120 HB3 HIS 17 HB1 HIS 17 3.896 -7.338 -4.285
121 HD1 HIS 17 HD1 HIS 17 4.928 -9.197 -2.956
122 HD2 HIS 17 HD2 HIS 17 0.943 -8.557 -1.968
123 HE1 HIS 17 HE1 HIS 17 4.288 -11.107 -1.455
124 HE2 HIS 17 HE2 HIS 17 1.828 -10.797 -1.024
125 H VAL 18 HN VAL 18 2.788 -3.856 -1.387
126 HA VAL 18 HA VAL 18 0.269 -4.660 -0.313
127 HB VAL 18 HB VAL 18 1.766 -3.115 0.898
128 HG11 VAL 18 HG11 VAL 18 2.596 -1.792 -0.952
129 HG12 VAL 18 HG12 VAL 18 1.865 -0.747 0.265
130 HG13 VAL 18 HG13 VAL 18 0.990 -1.117 -1.219
131 HG21 VAL 18 HG21 VAL 18 -0.576 -3.191 1.504
132 HG22 VAL 18 HG22 VAL 18 -0.957 -1.984 0.276
133 HG23 VAL 18 HG23 VAL 18 0.037 -1.544 1.664
134 H CYS 19 HN CYS 19 1.273 -2.872 -3.111
135 HA CYS 19 HA CYS 19 -1.320 -3.139 -4.276
136 HB2 CYS 19 HB2 CYS 19 -1.638 -1.071 -2.941
137 HB3 CYS 19 HB1 CYS 19 -0.281 -0.336 -3.789
Start of MODEL 17
1 H1 ILE 1 HT1 ILE 1 -7.457 -2.632 -6.639
2 H2 ILE 1 HT2 ILE 1 -7.526 -1.124 -5.882
3 H3 ILE 1 HT3 ILE 1 -8.875 -2.137 -5.868
4 HA ILE 1 HA ILE 1 -7.708 -3.748 -4.532
5 HB ILE 1 HB ILE 1 -5.495 -1.681 -4.459
6 HG12 ILE 1 HG12 ILE 1 -4.205 -3.828 -5.302
7 HG13 ILE 1 HG11 ILE 1 -5.796 -4.288 -5.896
8 HG21 ILE 1 HG21 ILE 1 -4.303 -3.302 -3.060
9 HG22 ILE 1 HG22 ILE 1 -5.720 -4.350 -3.077
10 HG23 ILE 1 HG23 ILE 1 -5.806 -2.766 -2.308
11 HD11 ILE 1 HD11 ILE 1 -4.296 -1.779 -6.607
12 HD12 ILE 1 HD12 ILE 1 -5.897 -2.220 -7.197
13 HD13 ILE 1 HD13 ILE 1 -4.499 -3.204 -7.626
14 H ARG 2 HN ARG 2 -8.533 -3.678 -2.515
15 HA ARG 2 HA ARG 2 -9.596 -1.186 -1.560
16 HB2 ARG 2 HB2 ARG 2 -9.737 -3.960 -0.379
17 HB3 ARG 2 HB1 ARG 2 -10.612 -2.559 0.224
18 HG2 ARG 2 HG2 ARG 2 -11.775 -2.395 -1.946
19 HG3 ARG 2 HG1 ARG 2 -10.950 -3.865 -2.466
20 HD2 ARG 2 HD2 ARG 2 -11.968 -5.083 -0.602
21 HD3 ARG 2 HD1 ARG 2 -12.804 -3.612 -0.104
22 HE ARG 2 HE ARG 2 -13.299 -4.508 -2.820
23 HH11 ARG 2 HH11 ARG 2 -14.355 -4.461 0.512
24 HH12 ARG 2 HH12 ARG 2 -15.998 -4.864 0.135
25 HH21 ARG 2 HH21 ARG 2 -15.457 -5.062 -3.328
26 HH22 ARG 2 HH22 ARG 2 -16.625 -5.210 -2.054
27 H ASP 3 HN ASP 3 -7.207 -0.512 -1.454
28 HA ASP 3 HA ASP 3 -6.426 -0.584 1.336
29 HB2 ASP 3 HB2 ASP 3 -5.139 -2.448 0.467
30 HB3 ASP 3 HB1 ASP 3 -4.577 -1.475 -0.890
31 H GLU 4 HN GLU 4 -5.969 1.409 1.926
32 HA GLU 4 HA GLU 4 -5.712 3.473 -0.077
33 HB2 GLU 4 HB2 GLU 4 -5.722 3.675 2.937
34 HB3 GLU 4 HB1 GLU 4 -5.846 5.024 1.814
35 HG2 GLU 4 HG2 GLU 4 -7.952 4.118 0.966
36 HG3 GLU 4 HG1 GLU 4 -7.829 2.781 2.107
37 H CYS 5 HN CYS 5 -3.639 1.619 1.918
38 HA CYS 5 HA CYS 5 -1.463 3.384 2.187
39 HB2 CYS 5 HB2 CYS 5 -1.994 0.560 2.629
40 HB3 CYS 5 HB1 CYS 5 -0.368 0.834 2.020
41 H CYS 6 HN CYS 6 -2.692 1.651 -0.482
42 HA CYS 6 HA CYS 6 -0.487 1.468 -2.175
43 HB2 CYS 6 HB2 CYS 6 -2.672 0.483 -2.668
44 HB3 CYS 6 HB1 CYS 6 -3.377 2.093 -2.802
45 H SER 7 HN SER 7 -2.558 4.226 -1.415
46 HA SER 7 HA SER 7 -1.262 5.922 -3.373
47 HB2 SER 7 HB2 SER 7 -3.677 6.178 -2.830
48 HB3 SER 7 HB1 SER 7 -3.241 6.640 -1.188
49 HG SER 7 HG SER 7 -2.334 8.497 -1.946
50 H ASN 8 HN ASN 8 -0.500 4.759 -0.399
51 HA ASN 8 HA ASN 8 0.917 7.154 0.519
52 HB2 ASN 8 HB2 ASN 8 0.235 4.531 1.815
53 HB3 ASN 8 HB1 ASN 8 1.350 5.671 2.549
54 HD21 ASN 8 HD21 ASN 8 -1.971 5.196 1.500
55 HD22 ASN 8 HD22 ASN 8 -2.647 6.426 2.514
56 HA PRO 9 HA PRO 9 4.351 5.220 -1.543
57 HB2 PRO 9 HB2 PRO 9 6.200 7.151 -0.965
58 HB3 PRO 9 HB1 PRO 9 5.012 7.293 -2.264
59 HG2 PRO 9 HG2 PRO 9 4.914 8.419 0.505
60 HG3 PRO 9 HG1 PRO 9 4.505 9.199 -1.036
61 HD2 PRO 9 HD2 PRO 9 2.618 8.217 0.596
62 HD3 PRO 9 HD1 PRO 9 2.449 8.144 -1.166
63 H VAL 10 HN VAL 10 4.020 5.940 1.779
64 HA VAL 10 HA VAL 10 6.568 4.896 2.590
65 HB VAL 10 HB VAL 10 5.227 6.522 3.927
66 HG11 VAL 10 HG11 VAL 10 3.529 4.145 4.596
67 HG12 VAL 10 HG12 VAL 10 3.027 5.572 3.696
68 HG13 VAL 10 HG13 VAL 10 3.462 5.713 5.398
69 HG21 VAL 10 HG21 VAL 10 6.015 3.984 5.329
70 HG22 VAL 10 HG22 VAL 10 5.790 5.550 6.107
71 HG23 VAL 10 HG23 VAL 10 7.082 5.330 4.927
72 H CYS 11 HN CYS 11 3.282 3.703 2.402
73 HA CYS 11 HA CYS 11 3.776 1.172 3.531
74 HB2 CYS 11 HB2 CYS 11 1.569 1.987 1.642
75 HB3 CYS 11 HB1 CYS 11 1.567 0.607 2.725
76 H ARG 12 HN ARG 12 3.377 2.202 0.138
77 HA ARG 12 HA ARG 12 3.707 -0.361 -0.923
78 HB2 ARG 12 HB2 ARG 12 4.186 0.931 -3.097
79 HB3 ARG 12 HB1 ARG 12 2.587 0.997 -2.368
80 HG2 ARG 12 HG2 ARG 12 3.219 3.089 -1.282
81 HG3 ARG 12 HG1 ARG 12 4.755 3.058 -2.148
82 HD2 ARG 12 HD2 ARG 12 1.989 3.196 -3.328
83 HD3 ARG 12 HD1 ARG 12 3.191 4.487 -3.316
84 HE ARG 12 HE ARG 12 4.546 2.723 -4.664
85 HH11 ARG 12 HH11 ARG 12 1.118 3.374 -4.905
86 HH12 ARG 12 HH12 ARG 12 1.014 2.885 -6.565
87 HH21 ARG 12 HH21 ARG 12 4.413 2.073 -6.846
88 HH22 ARG 12 HH22 ARG 12 2.887 2.140 -7.667
89 H VAL 13 HN VAL 13 6.019 1.850 0.149
90 HA VAL 13 HA VAL 13 8.142 0.678 -1.416
91 HB VAL 13 HB VAL 13 7.943 2.945 0.523
92 HG11 VAL 13 HG11 VAL 13 10.470 1.880 -0.722
93 HG12 VAL 13 HG12 VAL 13 10.060 1.852 0.995
94 HG13 VAL 13 HG13 VAL 13 10.313 3.392 0.173
95 HG21 VAL 13 HG21 VAL 13 8.821 2.804 -2.349
96 HG22 VAL 13 HG22 VAL 13 8.410 4.247 -1.418
97 HG23 VAL 13 HG23 VAL 13 7.152 3.068 -1.833
98 H ASN 14 HN ASN 14 7.050 0.733 1.935
99 HA ASN 14 HA ASN 14 9.236 -0.924 2.830
100 HB2 ASN 14 HB2 ASN 14 8.169 0.739 4.309
101 HB3 ASN 14 HB1 ASN 14 6.659 -0.159 4.215
102 HD21 ASN 14 HD21 ASN 14 6.520 -0.598 6.325
103 HD22 ASN 14 HD22 ASN 14 7.588 -1.662 7.172
104 H ASN 15 HN ASN 15 6.155 -1.380 1.438
105 HA ASN 15 HA ASN 15 6.368 -4.275 1.737
106 HB2 ASN 15 HB2 ASN 15 4.881 -3.339 3.565
107 HB3 ASN 15 HB1 ASN 15 3.816 -2.776 2.285
108 HD21 ASN 15 HD21 ASN 15 2.582 -4.256 1.140
109 HD22 ASN 15 HD22 ASN 15 2.372 -5.890 1.662
110 HA HYP 16 HA HYP 16 5.451 -2.768 -2.498
111 HB2 HYP 16 HB1 HYP 16 7.482 -3.121 -3.362
112 HB3 HYP 16 HB2 HYP 16 7.189 -4.859 -3.401
113 HG HYP 16 HG HYP 16 8.918 -4.910 -1.886
114 HD22 HYP 16 HD22 HYP 16 7.230 -5.582 -0.422
115 HD23 HYP 16 HD23 HYP 16 7.769 -4.146 0.429
116 HD1 HYP 16 HD1 HYP 16 8.380 -2.644 -0.472
117 H HIS 17 HN HIS 17 3.845 -4.788 -1.023
118 HA HIS 17 HA HIS 17 2.547 -5.794 -3.409
119 HB2 HIS 17 HB2 HIS 17 4.051 -7.654 -2.600
120 HB3 HIS 17 HB1 HIS 17 3.121 -7.676 -1.106
121 HD1 HIS 17 HD1 HIS 17 2.212 -7.806 -4.808
122 HD2 HIS 17 HD2 HIS 17 1.294 -9.642 -1.199
123 HE1 HIS 17 HE1 HIS 17 0.462 -9.522 -5.353
124 HE2 HIS 17 HE2 HIS 17 -0.228 -10.459 -3.120
125 H VAL 18 HN VAL 18 2.111 -3.699 -1.491
126 HA VAL 18 HA VAL 18 -0.105 -4.614 0.157
127 HB VAL 18 HB VAL 18 1.533 -2.920 1.006
128 HG11 VAL 18 HG11 VAL 18 1.885 -1.620 -0.997
129 HG12 VAL 18 HG12 VAL 18 1.286 -0.583 0.295
130 HG13 VAL 18 HG13 VAL 18 0.200 -1.104 -0.992
131 HG21 VAL 18 HG21 VAL 18 -0.135 -1.489 2.066
132 HG22 VAL 18 HG22 VAL 18 -0.656 -3.173 2.031
133 HG23 VAL 18 HG23 VAL 18 -1.338 -2.015 0.889
134 H CYS 19 HN CYS 19 0.485 -3.079 -2.870
135 HA CYS 19 HA CYS 19 -2.382 -2.512 -3.185
136 HB2 CYS 19 HB2 CYS 19 -0.771 -0.586 -3.402
137 HB3 CYS 19 HB1 CYS 19 -0.096 -1.387 -4.815
Start of MODEL 18
1 H1 ILE 1 HT1 ILE 1 -6.848 -6.752 -6.341
2 H2 ILE 1 HT2 ILE 1 -6.184 -5.290 -6.867
3 H3 ILE 1 HT3 ILE 1 -7.125 -5.335 -5.466
4 HA ILE 1 HA ILE 1 -5.502 -6.713 -4.371
5 HB ILE 1 HB ILE 1 -3.252 -6.927 -5.447
6 HG12 ILE 1 HG12 ILE 1 -4.785 -6.221 -7.955
7 HG13 ILE 1 HG11 ILE 1 -3.579 -5.199 -7.181
8 HG21 ILE 1 HG21 ILE 1 -4.738 -8.832 -5.283
9 HG22 ILE 1 HG22 ILE 1 -3.873 -8.875 -6.821
10 HG23 ILE 1 HG23 ILE 1 -5.557 -8.349 -6.768
11 HD11 ILE 1 HD11 ILE 1 -2.667 -6.351 -9.111
12 HD12 ILE 1 HD12 ILE 1 -3.083 -7.908 -8.395
13 HD13 ILE 1 HD13 ILE 1 -1.873 -6.879 -7.630
14 H ARG 2 HN ARG 2 -6.239 -3.825 -5.118
15 HA ARG 2 HA ARG 2 -3.842 -2.603 -3.982
16 HB2 ARG 2 HB2 ARG 2 -5.967 -1.211 -5.612
17 HB3 ARG 2 HB1 ARG 2 -4.464 -0.511 -5.030
18 HG2 ARG 2 HG2 ARG 2 -4.734 -2.689 -7.090
19 HG3 ARG 2 HG1 ARG 2 -4.328 -1.002 -7.396
20 HD2 ARG 2 HD2 ARG 2 -2.278 -1.283 -6.048
21 HD3 ARG 2 HD1 ARG 2 -2.679 -2.989 -5.832
22 HE ARG 2 HE ARG 2 -2.519 -2.070 -8.576
23 HH11 ARG 2 HH11 ARG 2 -0.814 -3.580 -5.908
24 HH12 ARG 2 HH12 ARG 2 0.388 -4.297 -6.935
25 HH21 ARG 2 HH21 ARG 2 -0.939 -3.025 -9.909
26 HH22 ARG 2 HH22 ARG 2 0.307 -4.002 -9.198
27 H ASP 3 HN ASP 3 -4.041 -1.681 -2.038
28 HA ASP 3 HA ASP 3 -6.726 -1.446 -0.911
29 HB2 ASP 3 HB2 ASP 3 -4.018 -1.913 0.341
30 HB3 ASP 3 HB1 ASP 3 -5.405 -1.417 1.295
31 H GLU 4 HN GLU 4 -6.047 0.247 1.204
32 HA GLU 4 HA GLU 4 -6.211 2.741 -0.183
33 HB2 GLU 4 HB2 GLU 4 -6.297 1.989 2.727
34 HB3 GLU 4 HB1 GLU 4 -6.250 3.670 2.218
35 HG2 GLU 4 HG2 GLU 4 -8.520 3.011 2.646
36 HG3 GLU 4 HG1 GLU 4 -8.309 3.322 0.927
37 H CYS 5 HN CYS 5 -3.757 1.090 1.728
38 HA CYS 5 HA CYS 5 -2.136 3.360 2.147
39 HB2 CYS 5 HB2 CYS 5 -0.704 1.934 3.230
40 HB3 CYS 5 HB1 CYS 5 -2.200 1.031 3.336
41 H CYS 6 HN CYS 6 -2.703 1.600 -0.665
42 HA CYS 6 HA CYS 6 -0.199 1.665 -1.918
43 HB2 CYS 6 HB2 CYS 6 -2.942 1.883 -3.158
44 HB3 CYS 6 HB1 CYS 6 -1.472 1.369 -3.971
45 H SER 7 HN SER 7 -2.641 4.119 -1.415
46 HA SER 7 HA SER 7 -1.483 5.967 -3.303
47 HB2 SER 7 HB2 SER 7 -3.088 7.595 -2.249
48 HB3 SER 7 HB1 SER 7 -3.854 6.144 -2.890
49 HG SER 7 HG SER 7 -4.004 5.328 -0.802
50 H ASN 8 HN ASN 8 -0.338 4.736 -0.641
51 HA ASN 8 HA ASN 8 0.873 7.202 0.414
52 HB2 ASN 8 HB2 ASN 8 0.297 4.554 1.729
53 HB3 ASN 8 HB1 ASN 8 1.210 5.845 2.497
54 HD21 ASN 8 HD21 ASN 8 -1.922 4.892 1.274
55 HD22 ASN 8 HD22 ASN 8 -2.845 6.039 2.182
56 HA PRO 9 HA PRO 9 4.340 5.258 -1.704
57 HB2 PRO 9 HB2 PRO 9 5.696 7.560 -0.388
58 HB3 PRO 9 HB1 PRO 9 5.806 7.008 -2.063
59 HG2 PRO 9 HG2 PRO 9 4.383 9.160 -1.451
60 HG3 PRO 9 HG1 PRO 9 3.777 7.993 -2.643
61 HD2 PRO 9 HD2 PRO 9 2.973 8.378 0.211
62 HD3 PRO 9 HD1 PRO 9 1.974 7.999 -1.201
63 H VAL 10 HN VAL 10 4.027 6.091 1.652
64 HA VAL 10 HA VAL 10 6.517 4.927 2.487
65 HB VAL 10 HB VAL 10 4.063 5.653 4.104
66 HG11 VAL 10 HG11 VAL 10 5.532 5.570 6.054
67 HG12 VAL 10 HG12 VAL 10 6.860 5.014 5.036
68 HG13 VAL 10 HG13 VAL 10 5.437 3.997 5.261
69 HG21 VAL 10 HG21 VAL 10 6.653 7.145 3.724
70 HG22 VAL 10 HG22 VAL 10 5.277 7.662 4.693
71 HG23 VAL 10 HG23 VAL 10 5.127 7.545 2.942
72 H CYS 11 HN CYS 11 3.175 3.810 2.233
73 HA CYS 11 HA CYS 11 3.701 1.352 3.568
74 HB2 CYS 11 HB2 CYS 11 1.414 2.215 3.435
75 HB3 CYS 11 HB1 CYS 11 1.443 2.047 1.682
76 H ARG 12 HN ARG 12 3.838 2.444 0.232
77 HA ARG 12 HA ARG 12 3.992 -0.236 -0.717
78 HB2 ARG 12 HB2 ARG 12 4.316 0.879 -2.990
79 HB3 ARG 12 HB1 ARG 12 2.764 1.035 -2.179
80 HG2 ARG 12 HG2 ARG 12 3.593 3.191 -1.267
81 HG3 ARG 12 HG1 ARG 12 4.949 3.061 -2.386
82 HD2 ARG 12 HD2 ARG 12 2.017 3.177 -3.066
83 HD3 ARG 12 HD1 ARG 12 3.214 4.435 -3.361
84 HE ARG 12 HE ARG 12 4.210 2.332 -4.727
85 HH11 ARG 12 HH11 ARG 12 1.030 3.785 -4.637
86 HH12 ARG 12 HH12 ARG 12 0.694 3.468 -6.309
87 HH21 ARG 12 HH21 ARG 12 3.764 1.896 -6.937
88 HH22 ARG 12 HH22 ARG 12 2.246 2.390 -7.614
89 H VAL 13 HN VAL 13 6.292 2.057 0.191
90 HA VAL 13 HA VAL 13 8.444 0.914 -1.291
91 HB VAL 13 HB VAL 13 9.854 2.215 0.337
92 HG11 VAL 13 HG11 VAL 13 7.724 3.727 -1.153
93 HG12 VAL 13 HG12 VAL 13 9.233 3.120 -1.835
94 HG13 VAL 13 HG13 VAL 13 9.266 4.389 -0.612
95 HG21 VAL 13 HG21 VAL 13 7.155 3.093 1.302
96 HG22 VAL 13 HG22 VAL 13 8.679 3.892 1.710
97 HG23 VAL 13 HG23 VAL 13 8.383 2.230 2.225
98 H ASN 14 HN ASN 14 7.012 0.376 1.894
99 HA ASN 14 HA ASN 14 9.277 -1.278 2.673
100 HB2 ASN 14 HB2 ASN 14 8.494 -1.216 4.861
101 HB3 ASN 14 HB1 ASN 14 8.011 0.353 4.234
102 HD21 ASN 14 HD21 ASN 14 5.825 0.777 3.902
103 HD22 ASN 14 HD22 ASN 14 4.587 -0.224 4.575
104 H ASN 15 HN ASN 15 5.881 -1.691 1.796
105 HA ASN 15 HA ASN 15 5.852 -4.470 2.428
106 HB2 ASN 15 HB2 ASN 15 3.619 -4.323 2.003
107 HB3 ASN 15 HB1 ASN 15 3.926 -2.608 2.192
108 HD21 ASN 15 HD21 ASN 15 3.558 -1.290 0.524
109 HD22 ASN 15 HD22 ASN 15 3.017 -1.802 -1.035
110 HA HYP 16 HA HYP 16 7.566 -6.268 -1.129
111 HB2 HYP 16 HB1 HYP 16 7.158 -8.307 -0.306
112 HB3 HYP 16 HB2 HYP 16 5.781 -8.372 -1.404
113 HG HYP 16 HG HYP 16 4.331 -8.274 0.320
114 HD22 HYP 16 HD22 HYP 16 4.184 -6.158 1.149
115 HD23 HYP 16 HD23 HYP 16 5.646 -6.408 2.085
116 HD1 HYP 16 HD1 HYP 16 6.018 -8.010 2.391
117 H HIS 17 HN HIS 17 6.043 -4.168 -2.009
118 HA HIS 17 HA HIS 17 5.054 -3.288 -3.855
119 HB2 HIS 17 HB2 HIS 17 6.270 -5.782 -5.020
120 HB3 HIS 17 HB1 HIS 17 5.397 -4.624 -6.017
121 HD1 HIS 17 HD1 HIS 17 6.497 -2.275 -6.339
122 HD2 HIS 17 HD2 HIS 17 8.825 -5.015 -4.253
123 HE1 HIS 17 HE1 HIS 17 8.811 -1.302 -6.302
124 HE2 HIS 17 HE2 HIS 17 10.144 -2.873 -4.857
125 H VAL 18 HN VAL 18 3.254 -4.536 -2.181
126 HA VAL 18 HA VAL 18 1.376 -5.982 -3.854
127 HB VAL 18 HB VAL 18 0.939 -4.818 -1.088
128 HG11 VAL 18 HG11 VAL 18 -1.123 -5.351 -2.321
129 HG12 VAL 18 HG12 VAL 18 -0.896 -6.395 -0.919
130 HG13 VAL 18 HG13 VAL 18 -0.553 -7.005 -2.538
131 HG21 VAL 18 HG21 VAL 18 1.854 -7.573 -1.895
132 HG22 VAL 18 HG22 VAL 18 1.372 -7.105 -0.267
133 HG23 VAL 18 HG23 VAL 18 2.788 -6.367 -1.011
134 H CYS 19 HN CYS 19 2.246 -2.810 -3.174
135 HA CYS 19 HA CYS 19 -0.168 -1.773 -4.489
136 HB2 CYS 19 HB2 CYS 19 1.557 -0.488 -2.364
137 HB3 CYS 19 HB1 CYS 19 0.364 0.398 -3.307
Start of MODEL 19
1 H1 ILE 1 HT1 ILE 1 -8.782 -1.157 -7.294
2 H2 ILE 1 HT2 ILE 1 -9.572 -2.646 -7.257
3 H3 ILE 1 HT3 ILE 1 -8.076 -2.503 -8.030
4 HA ILE 1 HA ILE 1 -7.856 -3.587 -5.894
5 HB ILE 1 HB ILE 1 -6.152 -2.053 -4.889
6 HG12 ILE 1 HG12 ILE 1 -5.610 -0.060 -6.520
7 HG13 ILE 1 HG11 ILE 1 -7.323 -0.160 -6.890
8 HG21 ILE 1 HG21 ILE 1 -5.531 -3.615 -6.618
9 HG22 ILE 1 HG22 ILE 1 -4.633 -2.111 -6.813
10 HG23 ILE 1 HG23 ILE 1 -6.002 -2.462 -7.867
11 HD11 ILE 1 HD11 ILE 1 -7.854 0.206 -4.537
12 HD12 ILE 1 HD12 ILE 1 -6.878 1.519 -5.196
13 HD13 ILE 1 HD13 ILE 1 -6.133 0.298 -4.166
14 H ARG 2 HN ARG 2 -7.599 -3.045 -3.504
15 HA ARG 2 HA ARG 2 -9.284 -0.935 -2.523
16 HB2 ARG 2 HB2 ARG 2 -10.918 -2.741 -2.776
17 HB3 ARG 2 HB1 ARG 2 -9.893 -3.816 -1.836
18 HG2 ARG 2 HG2 ARG 2 -11.762 -2.940 -0.517
19 HG3 ARG 2 HG1 ARG 2 -10.202 -2.442 0.138
20 HD2 ARG 2 HD2 ARG 2 -10.496 -0.282 -1.137
21 HD3 ARG 2 HD1 ARG 2 -12.152 -0.793 -1.457
22 HE ARG 2 HE ARG 2 -11.812 -0.992 1.272
23 HH11 ARG 2 HH11 ARG 2 -11.651 1.554 -1.129
24 HH12 ARG 2 HH12 ARG 2 -12.098 2.807 -0.016
25 HH21 ARG 2 HH21 ARG 2 -12.384 0.667 2.741
26 HH22 ARG 2 HH22 ARG 2 -12.510 2.303 2.180
27 H ASP 3 HN ASP 3 -7.105 -0.310 -1.961
28 HA ASP 3 HA ASP 3 -6.565 -1.056 0.762
29 HB2 ASP 3 HB2 ASP 3 -5.180 -2.642 -0.690
30 HB3 ASP 3 HB1 ASP 3 -4.276 -1.221 -1.206
31 H GLU 4 HN GLU 4 -5.969 0.684 1.852
32 HA GLU 4 HA GLU 4 -6.047 3.202 0.548
33 HB2 GLU 4 HB2 GLU 4 -7.085 2.878 2.701
34 HB3 GLU 4 HB1 GLU 4 -5.558 2.377 3.407
35 HG2 GLU 4 HG2 GLU 4 -4.664 4.575 3.136
36 HG3 GLU 4 HG1 GLU 4 -6.127 5.116 2.313
37 H CYS 5 HN CYS 5 -3.529 1.070 1.597
38 HA CYS 5 HA CYS 5 -1.549 3.085 2.004
39 HB2 CYS 5 HB2 CYS 5 -1.706 0.156 2.140
40 HB3 CYS 5 HB1 CYS 5 -0.133 0.791 1.688
41 H CYS 6 HN CYS 6 -2.881 1.785 -0.795
42 HA CYS 6 HA CYS 6 -0.647 1.729 -2.503
43 HB2 CYS 6 HB2 CYS 6 -3.520 2.428 -3.123
44 HB3 CYS 6 HB1 CYS 6 -2.308 1.939 -4.294
45 H SER 7 HN SER 7 -2.791 4.339 -1.452
46 HA SER 7 HA SER 7 -1.373 6.278 -3.100
47 HB2 SER 7 HB2 SER 7 -3.598 6.702 -1.091
48 HB3 SER 7 HB1 SER 7 -2.987 7.901 -2.227
49 HG SER 7 HG SER 7 -4.086 5.410 -3.029
50 H ASN 8 HN ASN 8 -0.230 4.714 -0.821
51 HA ASN 8 HA ASN 8 0.931 6.984 0.645
52 HB2 ASN 8 HB2 ASN 8 0.153 4.261 1.661
53 HB3 ASN 8 HB1 ASN 8 1.290 5.290 2.519
54 HD21 ASN 8 HD21 ASN 8 -2.016 4.950 1.460
55 HD22 ASN 8 HD22 ASN 8 -2.685 6.102 2.564
56 HA PRO 9 HA PRO 9 4.227 4.950 -1.679
57 HB2 PRO 9 HB2 PRO 9 6.044 6.973 -1.342
58 HB3 PRO 9 HB1 PRO 9 4.811 6.964 -2.603
59 HG2 PRO 9 HG2 PRO 9 4.774 8.332 0.055
60 HG3 PRO 9 HG1 PRO 9 4.293 8.959 -1.536
61 HD2 PRO 9 HD2 PRO 9 2.480 8.092 0.229
62 HD3 PRO 9 HD1 PRO 9 2.270 7.821 -1.510
63 H VAL 10 HN VAL 10 3.993 5.974 1.562
64 HA VAL 10 HA VAL 10 6.566 4.986 2.431
65 HB VAL 10 HB VAL 10 4.099 5.709 4.042
66 HG11 VAL 10 HG11 VAL 10 5.587 4.197 5.263
67 HG12 VAL 10 HG12 VAL 10 5.592 5.814 5.966
68 HG13 VAL 10 HG13 VAL 10 6.940 5.286 4.959
69 HG21 VAL 10 HG21 VAL 10 5.279 7.797 4.520
70 HG22 VAL 10 HG22 VAL 10 4.989 7.603 2.793
71 HG23 VAL 10 HG23 VAL 10 6.593 7.300 3.456
72 H CYS 11 HN CYS 11 3.274 3.765 2.185
73 HA CYS 11 HA CYS 11 3.769 1.376 3.631
74 HB2 CYS 11 HB2 CYS 11 1.658 2.094 1.598
75 HB3 CYS 11 HB1 CYS 11 1.681 0.602 2.515
76 H ARG 12 HN ARG 12 3.659 2.205 0.174
77 HA ARG 12 HA ARG 12 4.114 -0.482 -0.555
78 HB2 ARG 12 HB2 ARG 12 4.393 0.557 -2.906
79 HB3 ARG 12 HB1 ARG 12 2.817 0.487 -2.134
80 HG2 ARG 12 HG2 ARG 12 3.195 2.790 -1.342
81 HG3 ARG 12 HG1 ARG 12 4.649 2.844 -2.342
82 HD2 ARG 12 HD2 ARG 12 1.777 2.688 -3.145
83 HD3 ARG 12 HD1 ARG 12 3.036 3.779 -3.723
84 HE ARG 12 HE ARG 12 2.886 0.909 -4.418
85 HH11 ARG 12 HH11 ARG 12 3.575 4.245 -5.278
86 HH12 ARG 12 HH12 ARG 12 4.083 3.848 -6.889
87 HH21 ARG 12 HH21 ARG 12 3.553 0.406 -6.540
88 HH22 ARG 12 HH22 ARG 12 4.076 1.672 -7.600
89 H VAL 13 HN VAL 13 6.231 2.065 0.124
90 HA VAL 13 HA VAL 13 8.468 1.060 -1.281
91 HB VAL 13 HB VAL 13 8.393 3.354 -0.470
92 HG11 VAL 13 HG11 VAL 13 8.379 3.935 1.819
93 HG12 VAL 13 HG12 VAL 13 8.626 2.259 2.313
94 HG13 VAL 13 HG13 VAL 13 7.089 2.744 1.587
95 HG21 VAL 13 HG21 VAL 13 10.583 2.375 -0.753
96 HG22 VAL 13 HG22 VAL 13 10.528 1.741 0.891
97 HG23 VAL 13 HG23 VAL 13 10.575 3.482 0.618
98 H ASN 14 HN ASN 14 7.084 0.437 1.943
99 HA ASN 14 HA ASN 14 9.364 -1.291 2.543
100 HB2 ASN 14 HB2 ASN 14 8.799 -1.197 4.813
101 HB3 ASN 14 HB1 ASN 14 8.452 0.419 4.216
102 HD21 ASN 14 HD21 ASN 14 6.346 1.148 4.185
103 HD22 ASN 14 HD22 ASN 14 5.048 0.280 4.924
104 H ASN 15 HN ASN 15 5.932 -1.580 1.783
105 HA ASN 15 HA ASN 15 5.675 -4.195 2.777
106 HB2 ASN 15 HB2 ASN 15 3.576 -4.265 1.629
107 HB3 ASN 15 HB1 ASN 15 3.748 -2.703 2.375
108 HD21 ASN 15 HD21 ASN 15 2.153 -1.870 1.069
109 HD22 ASN 15 HD22 ASN 15 2.417 -1.483 -0.602
110 HA HYP 16 HA HYP 16 7.899 -6.613 -0.011
111 HB2 HYP 16 HB1 HYP 16 7.708 -8.443 1.232
112 HB3 HYP 16 HB2 HYP 16 6.214 -8.829 0.384
113 HG HYP 16 HG HYP 16 5.035 -8.411 2.248
114 HD22 HYP 16 HD22 HYP 16 4.638 -6.178 2.367
115 HD23 HYP 16 HD23 HYP 16 6.196 -5.945 3.144
116 HD1 HYP 16 HD1 HYP 16 6.656 -7.377 3.987
117 H HIS 17 HN HIS 17 4.412 -7.253 -0.307
118 HA HIS 17 HA HIS 17 4.503 -6.590 -3.107
119 HB2 HIS 17 HB2 HIS 17 3.756 -8.748 -3.967
120 HB3 HIS 17 HB1 HIS 17 5.320 -8.903 -3.182
121 HD1 HIS 17 HD1 HIS 17 1.870 -10.181 -3.119
122 HD2 HIS 17 HD2 HIS 17 5.223 -10.313 -0.666
123 HE1 HIS 17 HE1 HIS 17 1.443 -12.047 -1.491
124 HE2 HIS 17 HE2 HIS 17 3.500 -12.141 -0.044
125 H VAL 18 HN VAL 18 3.089 -5.459 -0.986
126 HA VAL 18 HA VAL 18 0.381 -6.483 -1.056
127 HB VAL 18 HB VAL 18 1.400 -3.917 0.181
128 HG11 VAL 18 HG11 VAL 18 -0.676 -3.995 1.488
129 HG12 VAL 18 HG12 VAL 18 -1.191 -5.410 0.571
130 HG13 VAL 18 HG13 VAL 18 -0.991 -3.860 -0.241
131 HG21 VAL 18 HG21 VAL 18 0.861 -6.576 1.491
132 HG22 VAL 18 HG22 VAL 18 1.404 -5.104 2.293
133 HG23 VAL 18 HG23 VAL 18 2.457 -5.922 1.141
134 H CYS 19 HN CYS 19 1.566 -3.180 -1.595
135 HA CYS 19 HA CYS 19 0.538 -2.884 -4.200
136 HB2 CYS 19 HB2 CYS 19 -1.638 -3.053 -3.028
137 HB3 CYS 19 HB1 CYS 19 -1.168 -1.723 -1.976
Start of MODEL 20
1 H1 ILE 1 HT1 ILE 1 -12.545 -4.130 -1.374
2 H2 ILE 1 HT2 ILE 1 -12.246 -3.520 0.175
3 H3 ILE 1 HT3 ILE 1 -11.346 -4.826 -0.408
4 HA ILE 1 HA ILE 1 -10.321 -3.473 -2.067
5 HB ILE 1 HB ILE 1 -11.884 -1.186 -0.867
6 HG12 ILE 1 HG12 ILE 1 -12.116 -2.472 -3.598
7 HG13 ILE 1 HG11 ILE 1 -13.286 -2.630 -2.294
8 HG21 ILE 1 HG21 ILE 1 -9.667 -0.511 -1.569
9 HG22 ILE 1 HG22 ILE 1 -10.869 0.138 -2.683
10 HG23 ILE 1 HG23 ILE 1 -9.909 -1.267 -3.143
11 HD11 ILE 1 HD11 ILE 1 -13.718 -0.227 -2.401
12 HD12 ILE 1 HD12 ILE 1 -14.039 -1.029 -3.939
13 HD13 ILE 1 HD13 ILE 1 -12.563 -0.088 -3.726
14 H ARG 2 HN ARG 2 -8.343 -3.574 -1.236
15 HA ARG 2 HA ARG 2 -7.841 -2.245 1.318
16 HB2 ARG 2 HB2 ARG 2 -6.080 -3.933 1.747
17 HB3 ARG 2 HB1 ARG 2 -7.689 -4.632 1.650
18 HG2 ARG 2 HG2 ARG 2 -7.241 -5.378 -0.624
19 HG3 ARG 2 HG1 ARG 2 -5.634 -4.655 -0.552
20 HD2 ARG 2 HD2 ARG 2 -5.478 -7.028 -0.139
21 HD3 ARG 2 HD1 ARG 2 -5.077 -6.140 1.329
22 HE ARG 2 HE ARG 2 -7.776 -7.249 0.937
23 HH11 ARG 2 HH11 ARG 2 -4.806 -7.036 2.782
24 HH12 ARG 2 HH12 ARG 2 -5.410 -7.981 4.103
25 HH21 ARG 2 HH21 ARG 2 -8.570 -8.498 2.680
26 HH22 ARG 2 HH22 ARG 2 -7.555 -8.805 4.050
27 H ASP 3 HN ASP 3 -7.670 -0.960 -1.160
28 HA ASP 3 HA ASP 3 -4.806 -0.816 -1.733
29 HB2 ASP 3 HB2 ASP 3 -7.219 0.247 -3.204
30 HB3 ASP 3 HB1 ASP 3 -5.567 0.644 -3.657
31 H GLU 4 HN GLU 4 -5.938 0.259 0.722
32 HA GLU 4 HA GLU 4 -6.170 3.076 0.569
33 HB2 GLU 4 HB2 GLU 4 -5.371 1.341 2.913
34 HB3 GLU 4 HB1 GLU 4 -5.869 3.023 3.012
35 HG2 GLU 4 HG2 GLU 4 -7.574 0.736 2.058
36 HG3 GLU 4 HG1 GLU 4 -7.669 1.512 3.639
37 H CYS 5 HN CYS 5 -3.496 1.023 1.715
38 HA CYS 5 HA CYS 5 -1.660 3.152 1.965
39 HB2 CYS 5 HB2 CYS 5 -1.621 0.239 2.235
40 HB3 CYS 5 HB1 CYS 5 -0.092 0.942 1.731
41 H CYS 6 HN CYS 6 -2.901 1.731 -0.759
42 HA CYS 6 HA CYS 6 -0.670 1.670 -2.499
43 HB2 CYS 6 HB2 CYS 6 -2.816 0.541 -2.950
44 HB3 CYS 6 HB1 CYS 6 -3.602 2.106 -3.081
45 H SER 7 HN SER 7 -2.479 4.203 -1.128
46 HA SER 7 HA SER 7 -1.559 6.168 -3.097
47 HB2 SER 7 HB2 SER 7 -3.445 6.637 -0.779
48 HB3 SER 7 HB1 SER 7 -3.217 7.647 -2.206
49 HG SER 7 HG SER 7 -4.230 6.113 -3.450
50 H ASN 8 HN ASN 8 -0.310 4.710 -0.593
51 HA ASN 8 HA ASN 8 0.860 7.113 0.656
52 HB2 ASN 8 HB2 ASN 8 0.404 4.360 1.814
53 HB3 ASN 8 HB1 ASN 8 1.290 5.640 2.630
54 HD21 ASN 8 HD21 ASN 8 -1.845 4.709 1.374
55 HD22 ASN 8 HD22 ASN 8 -2.775 5.734 2.409
56 HA PRO 9 HA PRO 9 4.215 5.463 -1.705
57 HB2 PRO 9 HB2 PRO 9 6.110 7.284 -0.939
58 HB3 PRO 9 HB1 PRO 9 4.868 7.615 -2.150
59 HG2 PRO 9 HG2 PRO 9 4.901 8.324 0.756
60 HG3 PRO 9 HG1 PRO 9 4.445 9.327 -0.637
61 HD2 PRO 9 HD2 PRO 9 2.599 8.147 0.896
62 HD3 PRO 9 HD1 PRO 9 2.375 8.302 -0.854
63 H VAL 10 HN VAL 10 4.153 5.846 1.716
64 HA VAL 10 HA VAL 10 6.762 4.670 2.149
65 HB VAL 10 HB VAL 10 4.570 5.308 4.137
66 HG11 VAL 10 HG11 VAL 10 6.070 3.584 4.981
67 HG12 VAL 10 HG12 VAL 10 6.330 5.108 5.832
68 HG13 VAL 10 HG13 VAL 10 7.465 4.589 4.587
69 HG21 VAL 10 HG21 VAL 10 7.065 6.828 3.387
70 HG22 VAL 10 HG22 VAL 10 5.967 7.250 4.699
71 HG23 VAL 10 HG23 VAL 10 5.406 7.301 3.029
72 H CYS 11 HN CYS 11 3.374 3.675 2.458
73 HA CYS 11 HA CYS 11 3.773 1.155 3.555
74 HB2 CYS 11 HB2 CYS 11 1.687 2.044 1.565
75 HB3 CYS 11 HB1 CYS 11 1.612 0.599 2.551
76 H ARG 12 HN ARG 12 3.932 2.323 0.275
77 HA ARG 12 HA ARG 12 3.897 -0.218 -0.986
78 HB2 ARG 12 HB2 ARG 12 4.687 2.481 -2.037
79 HB3 ARG 12 HB1 ARG 12 4.223 1.081 -3.006
80 HG2 ARG 12 HG2 ARG 12 2.052 1.097 -1.851
81 HG3 ARG 12 HG1 ARG 12 2.514 2.578 -1.046
82 HD2 ARG 12 HD2 ARG 12 1.050 2.804 -3.100
83 HD3 ARG 12 HD1 ARG 12 2.487 3.810 -3.018
84 HE ARG 12 HE ARG 12 2.947 1.340 -4.410
85 HH11 ARG 12 HH11 ARG 12 1.578 4.541 -4.761
86 HH12 ARG 12 HH12 ARG 12 1.832 4.608 -6.475
87 HH21 ARG 12 HH21 ARG 12 3.288 1.421 -6.667
88 HH22 ARG 12 HH22 ARG 12 2.811 2.828 -7.563
89 H VAL 13 HN VAL 13 6.369 1.993 -0.041
90 HA VAL 13 HA VAL 13 8.447 0.454 -1.294
91 HB VAL 13 HB VAL 13 9.942 2.121 -0.420
92 HG11 VAL 13 HG11 VAL 13 7.381 3.054 -1.639
93 HG12 VAL 13 HG12 VAL 13 8.932 2.740 -2.430
94 HG13 VAL 13 HG13 VAL 13 8.743 4.155 -1.393
95 HG21 VAL 13 HG21 VAL 13 7.570 3.205 1.068
96 HG22 VAL 13 HG22 VAL 13 9.137 4.000 0.934
97 HG23 VAL 13 HG23 VAL 13 8.998 2.463 1.787
98 H ASN 14 HN ASN 14 6.930 0.608 1.801
99 HA ASN 14 HA ASN 14 9.049 -0.853 3.146
100 HB2 ASN 14 HB2 ASN 14 7.694 0.839 4.353
101 HB3 ASN 14 HB1 ASN 14 6.259 -0.145 4.092
102 HD21 ASN 14 HD21 ASN 14 5.834 -0.471 6.223
103 HD22 ASN 14 HD22 ASN 14 6.838 -1.423 7.259
104 H ASN 15 HN ASN 15 6.000 -1.440 1.600
105 HA ASN 15 HA ASN 15 6.360 -4.327 1.917
106 HB2 ASN 15 HB2 ASN 15 4.679 -3.530 3.585
107 HB3 ASN 15 HB1 ASN 15 3.735 -2.873 2.253
108 HD21 ASN 15 HD21 ASN 15 2.519 -4.224 0.994
109 HD22 ASN 15 HD22 ASN 15 2.271 -5.895 1.366
110 HA HYP 16 HA HYP 16 5.729 -2.995 -2.420
111 HB2 HYP 16 HB1 HYP 16 7.860 -3.182 -3.085
112 HB3 HYP 16 HB2 HYP 16 7.725 -4.941 -3.087
113 HG HYP 16 HG HYP 16 9.309 -4.790 -1.427
114 HD22 HYP 16 HD22 HYP 16 7.551 -5.576 -0.107
115 HD23 HYP 16 HD23 HYP 16 7.892 -4.083 0.750
116 HD1 HYP 16 HD1 HYP 16 8.449 -2.563 -0.133
117 H HIS 17 HN HIS 17 4.133 -4.996 -1.021
118 HA HIS 17 HA HIS 17 3.379 -6.554 -3.375
119 HB2 HIS 17 HB2 HIS 17 3.769 -7.673 -0.593
120 HB3 HIS 17 HB1 HIS 17 2.785 -8.478 -1.808
121 HD1 HIS 17 HD1 HIS 17 6.136 -8.404 -0.530
122 HD2 HIS 17 HD2 HIS 17 4.409 -9.030 -4.257
123 HE1 HIS 17 HE1 HIS 17 7.882 -9.591 -1.893
124 HE2 HIS 17 HE2 HIS 17 6.872 -9.808 -4.190
125 H VAL 18 HN VAL 18 2.146 -4.350 -3.014
126 HA VAL 18 HA VAL 18 -0.494 -5.051 -2.116
127 HB VAL 18 HB VAL 18 0.581 -4.314 0.007
128 HG11 VAL 18 HG11 VAL 18 0.821 -1.647 -1.372
129 HG12 VAL 18 HG12 VAL 18 2.152 -2.687 -0.870
130 HG13 VAL 18 HG13 VAL 18 1.106 -1.948 0.340
131 HG21 VAL 18 HG21 VAL 18 -1.599 -2.493 -1.017
132 HG22 VAL 18 HG22 VAL 18 -1.188 -2.755 0.678
133 HG23 VAL 18 HG23 VAL 18 -1.826 -4.084 -0.289
134 H CYS 19 HN CYS 19 1.742 -2.709 -3.457
135 HA CYS 19 HA CYS 19 -0.070 -1.886 -5.473
136 HB2 CYS 19 HB2 CYS 19 -1.055 -0.566 -3.679
137 HB3 CYS 19 HB1 CYS 19 0.524 0.078 -3.248
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