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 |
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|
10619 |
1q2j   |
5881 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H 5HP 1 HT1 5HP 1 25.866 34.573 23.394
2 2H 5HP 1 HT2 5HP 1 26.986 34.651 24.677
3 HA 5HP 1 HA 5HP 1 26.574 32.519 22.705
4 1HB 5HP 1 HB1 5HP 1 28.742 32.426 21.963
5 2HB 5HP 1 HB2 5HP 1 29.386 32.753 23.582
6 1HG 5HP 1 HG1 5HP 1 28.956 34.593 21.385
7 2HG 5HP 1 HG2 5HP 1 29.736 34.901 22.952
8 H ARG 2 HN ARG 2 27.331 30.440 23.780
9 HA ARG 2 HA ARG 2 27.559 30.641 26.746
10 1HB ARG 2 HB2 ARG 2 25.198 30.488 26.338
11 2HB ARG 2 HB1 ARG 2 25.418 29.244 25.112
12 1HG ARG 2 HG2 ARG 2 25.553 27.578 26.650
13 2HG ARG 2 HG1 ARG 2 26.518 28.546 27.763
14 1HD ARG 2 HD2 ARG 2 23.635 29.279 27.364
15 2HD ARG 2 HD1 ARG 2 24.023 27.883 28.391
16 HE ARG 2 HE ARG 2 25.810 29.755 29.314
17 1HH1 ARG 2 HH21 ARG 2 23.408 29.077 30.949
18 2HH1 ARG 2 HH22 ARG 2 22.642 30.617 31.143
19 1HH2 ARG 2 HH11 ARG 2 24.402 32.091 28.518
20 2HH2 ARG 2 HH12 ARG 2 23.215 32.344 29.750
21 H CYS 3 HN CYS 3 26.770 27.690 24.939
22 HA CYS 3 HA CYS 3 29.216 26.408 25.920
23 1HB CYS 3 HB2 CYS 3 27.405 25.207 23.840
24 2HB CYS 3 HB1 CYS 3 28.201 24.428 25.203
25 H CYS 4 HN CYS 4 30.339 28.336 24.523
26 HA CYS 4 HA CYS 4 31.268 27.001 22.012
27 1HB CYS 4 HB2 CYS 4 30.022 29.727 22.332
28 2HB CYS 4 HB1 CYS 4 31.088 29.350 20.983
29 H ASN 5 HN ASN 5 32.431 27.645 24.742
30 HA ASN 5 HA ASN 5 34.821 29.203 23.796
31 1HB ASN 5 HB2 ASN 5 32.930 29.798 25.817
32 2HB ASN 5 HB1 ASN 5 34.401 29.314 26.657
33 1HD2 ASN 5 HD21 ASN 5 33.070 31.701 24.377
34 2HD2 ASN 5 HD22 ASN 5 34.374 32.780 24.494
35 H GLY 6 HN GLY 6 34.394 26.307 23.758
36 1HA GLY 6 HA2 GLY 6 36.611 25.521 25.595
37 2HA GLY 6 HA1 GLY 6 35.157 24.527 25.513
38 H ARG 7 HN ARG 7 35.057 22.979 23.914
39 HA ARG 7 HA ARG 7 37.019 23.177 21.651
40 1HB ARG 7 HB2 ARG 7 36.539 20.988 23.667
41 2HB ARG 7 HB1 ARG 7 37.196 20.602 22.076
42 1HG ARG 7 HG2 ARG 7 38.461 22.880 23.524
43 2HG ARG 7 HG1 ARG 7 38.770 21.264 24.162
44 1HD ARG 7 HD2 ARG 7 39.826 20.541 22.178
45 2HD ARG 7 HD1 ARG 7 39.077 21.823 21.204
46 HE ARG 7 HE ARG 7 40.495 23.459 22.536
47 1HH1 ARG 7 HH11 ARG 7 41.435 21.237 24.453
48 2HH1 ARG 7 HH12 ARG 7 43.054 20.986 23.888
49 1HH2 ARG 7 HH21 ARG 7 42.509 22.642 20.873
50 2HH2 ARG 7 HH22 ARG 7 43.665 21.789 21.837
51 H ARG 8 HN ARG 8 34.127 21.416 22.872
52 HA ARG 8 HA ARG 8 33.375 20.748 20.071
53 1HB ARG 8 HB2 ARG 8 33.395 19.069 21.927
54 2HB ARG 8 HB1 ARG 8 32.116 19.980 22.726
55 1HG ARG 8 HG2 ARG 8 30.884 18.374 21.545
56 2HG ARG 8 HG1 ARG 8 30.875 19.733 20.420
57 1HD ARG 8 HD2 ARG 8 31.476 17.735 19.153
58 2HD ARG 8 HD1 ARG 8 32.944 18.716 19.323
59 HE ARG 8 HE ARG 8 33.821 17.085 20.816
60 1HH1 ARG 8 HH21 ARG 8 31.494 15.586 19.141
61 2HH1 ARG 8 HH22 ARG 8 30.970 14.496 20.379
62 1HH2 ARG 8 HH11 ARG 8 32.682 16.149 22.914
63 2HH2 ARG 8 HH12 ARG 8 31.643 14.820 22.526
64 H GLY 9 HN GLY 9 31.255 21.678 22.824
65 1HA GLY 9 HA2 GLY 9 30.187 24.000 22.665
66 2HA GLY 9 HA1 GLY 9 29.908 23.610 20.968
67 H CYS 10 HN CYS 10 29.308 20.775 21.646
68 HA CYS 10 HA CYS 10 26.464 21.125 22.353
69 1HB CYS 10 HB2 CYS 10 28.027 18.636 21.571
70 2HB CYS 10 HB1 CYS 10 26.280 18.845 21.506
71 H SER 11 HN SER 11 27.062 21.718 24.554
72 HA SER 11 HA SER 11 28.331 19.745 26.307
73 1HB SER 11 HB2 SER 11 26.847 22.320 26.922
74 2HB SER 11 HB1 SER 11 28.011 21.508 27.961
75 HG SER 11 HG SER 11 29.210 22.992 26.930
76 H SER 12 HN SER 12 24.996 20.759 25.549
77 HA SER 12 HA SER 12 23.982 18.426 27.071
78 1HB SER 12 HB2 SER 12 24.080 20.209 28.710
79 2HB SER 12 HB1 SER 12 23.300 21.338 27.605
80 HG SER 12 HG SER 12 22.195 19.597 29.315
81 H ARG 13 HN ARG 13 21.238 19.727 26.907
82 HA ARG 13 HA ARG 13 20.731 19.131 24.027
83 1HB ARG 13 HB2 ARG 13 19.545 18.238 26.259
84 2HB ARG 13 HB1 ARG 13 18.601 19.714 26.062
85 1HG ARG 13 HG2 ARG 13 18.806 18.476 23.506
86 2HG ARG 13 HG1 ARG 13 18.331 17.229 24.657
87 1HD ARG 13 HD2 ARG 13 16.230 18.104 24.154
88 2HD ARG 13 HD1 ARG 13 16.673 19.190 25.486
89 HE ARG 13 HE ARG 13 17.745 20.600 23.505
90 1HH1 ARG 13 HH11 ARG 13 15.988 18.484 21.857
91 2HH1 ARG 13 HH12 ARG 13 14.712 19.538 21.349
92 1HH2 ARG 13 HH21 ARG 13 15.566 22.065 23.588
93 2HH2 ARG 13 HH22 ARG 13 14.473 21.583 22.336
94 H TRP 14 HN TRP 14 21.344 21.790 25.981
95 HA TRP 14 HA TRP 14 19.469 23.656 24.636
96 1HB TRP 14 HB2 TRP 14 19.832 23.795 27.050
97 2HB TRP 14 HB1 TRP 14 21.571 23.931 26.809
98 HD1 TRP 14 HD1 TRP 14 18.450 25.922 26.911
99 HE1 TRP 14 HE1 TRP 14 18.943 28.408 26.423
100 HE3 TRP 14 HE3 TRP 14 23.246 25.540 25.279
101 HZ2 TRP 14 HZ2 TRP 14 21.108 30.006 25.443
102 HZ3 TRP 14 HZ3 TRP 14 24.498 27.520 24.565
103 HH2 TRP 14 HH2 TRP 14 23.446 29.770 24.640
104 H CYS 15 HN CYS 15 22.911 22.765 24.552
105 HA CYS 15 HA CYS 15 23.538 25.260 23.135
106 1HB CYS 15 HB2 CYS 15 25.278 22.784 23.292
107 2HB CYS 15 HB1 CYS 15 25.784 24.468 23.215
108 H ARG 16 HN ARG 16 21.591 24.366 21.649
109 HA ARG 16 HA ARG 16 22.877 23.135 19.240
110 1HB ARG 16 HB2 ARG 16 19.999 22.684 20.060
111 2HB ARG 16 HB1 ARG 16 20.976 21.747 18.932
112 1HG ARG 16 HG2 ARG 16 22.428 21.581 21.309
113 2HG ARG 16 HG1 ARG 16 20.752 21.482 21.850
114 1HD ARG 16 HD2 ARG 16 21.956 19.762 19.640
115 2HD ARG 16 HD1 ARG 16 21.683 19.226 21.308
116 HE ARG 16 HE ARG 16 19.202 20.115 20.703
117 1HH1 ARG 16 HH21 ARG 16 20.230 17.177 20.328
118 2HH1 ARG 16 HH22 ARG 16 19.572 16.831 18.765
119 1HH2 ARG 16 HH11 ARG 16 18.879 20.163 18.042
120 2HH2 ARG 16 HH12 ARG 16 18.805 18.534 17.456
121 H ASP 17 HN ASP 17 19.893 24.848 20.307
122 HA ASP 17 HA ASP 17 19.816 26.281 17.690
123 1HB ASP 17 HB2 ASP 17 17.926 25.528 19.873
124 2HB ASP 17 HB1 ASP 17 17.551 26.984 18.957
125 H HIS 18 HN HIS 18 21.635 26.984 20.112
126 HA HIS 18 HA HIS 18 20.902 29.887 20.198
127 1HB HIS 18 HB2 HIS 18 22.118 28.649 22.632
128 2HB HIS 18 HB1 HIS 18 20.970 29.972 22.511
129 HD1 HIS 18 HD1 HIS 18 20.837 26.223 21.733
130 HD2 HIS 18 HD2 HIS 18 18.619 29.144 23.632
131 HE1 HIS 18 HE1 HIS 18 18.774 25.087 22.605
132 H SER 19 HN SER 19 23.410 27.532 21.211
133 HA SER 19 HA SER 19 25.560 29.481 20.651
134 1HB SER 19 HB2 SER 19 26.828 27.212 21.343
135 2HB SER 19 HB1 SER 19 26.078 28.250 22.550
136 HG SER 19 HG SER 19 25.011 25.925 21.304
137 H ARG 20 HN ARG 20 26.273 29.625 18.556
138 HA ARG 20 HA ARG 20 25.635 27.687 16.507
139 1HB ARG 20 HB2 ARG 20 27.649 29.970 16.601
140 2HB ARG 20 HB1 ARG 20 27.077 29.179 15.132
141 1HG ARG 20 HG2 ARG 20 25.303 30.564 15.078
142 2HG ARG 20 HG1 ARG 20 24.775 29.939 16.641
143 1HD ARG 20 HD2 ARG 20 26.732 31.599 17.499
144 2HD ARG 20 HD1 ARG 20 26.264 32.450 16.014
145 HE ARG 20 HE ARG 20 24.238 31.630 18.079
146 1HH1 ARG 20 HH21 ARG 20 25.348 34.388 18.380
147 2HH1 ARG 20 HH22 ARG 20 24.249 35.341 17.441
148 1HH2 ARG 20 HH11 ARG 20 22.920 32.600 15.749
149 2HH2 ARG 20 HH12 ARG 20 22.868 34.320 15.934
150 H CYS 21 HN CYS 21 26.745 26.032 18.277
151 HA CYS 21 HA CYS 21 29.359 25.279 17.050
152 1HB CYS 21 HB2 CYS 21 28.851 25.407 20.042
153 2HB CYS 21 HB1 CYS 21 30.380 25.046 19.247
154 H CYS 22 HN CYS 22 26.983 24.020 16.451
155 HA CYS 22 HA CYS 22 27.381 21.306 17.462
156 1HB CYS 22 HB2 CYS 22 25.971 22.848 19.146
157 2HB CYS 22 HB1 CYS 22 24.666 22.429 18.043
Start of MODEL 2
1 1H 5HP 1 HT1 5HP 1 20.094 32.666 27.106
2 2H 5HP 1 HT2 5HP 1 21.685 33.048 27.573
3 HA 5HP 1 HA 5HP 1 20.694 30.593 26.467
4 1HB 5HP 1 HB1 5HP 1 21.556 30.689 24.354
5 2HB 5HP 1 HB2 5HP 1 23.135 31.186 24.987
6 1HG 5HP 1 HG1 5HP 1 21.104 32.809 23.725
7 2HG 5HP 1 HG2 5HP 1 22.721 33.294 24.279
8 H ARG 2 HN ARG 2 22.591 28.954 26.689
9 HA ARG 2 HA ARG 2 24.595 29.886 28.703
10 1HB ARG 2 HB2 ARG 2 24.028 27.991 30.145
11 2HB ARG 2 HB1 ARG 2 22.571 28.920 29.804
12 1HG ARG 2 HG2 ARG 2 22.540 27.115 27.741
13 2HG ARG 2 HG1 ARG 2 23.269 26.154 29.024
14 1HD ARG 2 HD2 ARG 2 20.631 27.663 29.224
15 2HD ARG 2 HD1 ARG 2 20.820 25.904 29.090
16 HE ARG 2 HE ARG 2 22.225 27.270 31.340
17 1HH1 ARG 2 HH11 ARG 2 19.086 26.906 31.356
18 2HH1 ARG 2 HH12 ARG 2 18.973 25.508 32.372
19 1HH2 ARG 2 HH21 ARG 2 22.362 24.742 32.148
20 2HH2 ARG 2 HH22 ARG 2 20.835 24.275 32.821
21 H CYS 3 HN CYS 3 23.718 27.314 26.326
22 HA CYS 3 HA CYS 3 26.343 26.020 26.607
23 1HB CYS 3 HB2 CYS 3 24.254 25.651 24.451
24 2HB CYS 3 HB1 CYS 3 25.470 24.489 24.968
25 H CYS 4 HN CYS 4 27.036 28.575 25.996
26 HA CYS 4 HA CYS 4 28.107 28.294 23.229
27 1HB CYS 4 HB2 CYS 4 26.200 30.408 24.223
28 2HB CYS 4 HB1 CYS 4 27.337 30.765 22.928
29 H ASN 5 HN ASN 5 29.152 28.396 26.073
30 HA ASN 5 HA ASN 5 31.026 30.712 25.734
31 1HB ASN 5 HB2 ASN 5 29.511 29.585 28.073
32 2HB ASN 5 HB1 ASN 5 31.054 30.388 28.355
33 1HD2 ASN 5 HD21 ASN 5 31.091 32.695 28.226
34 2HD2 ASN 5 HD22 ASN 5 29.730 33.628 27.828
35 H GLY 6 HN GLY 6 31.384 27.972 24.757
36 1HA GLY 6 HA2 GLY 6 33.937 27.379 26.125
37 2HA GLY 6 HA1 GLY 6 32.744 26.079 26.118
38 H ARG 7 HN ARG 7 33.836 24.676 24.727
39 HA ARG 7 HA ARG 7 34.304 25.689 21.939
40 1HB ARG 7 HB2 ARG 7 36.167 24.827 23.707
41 2HB ARG 7 HB1 ARG 7 35.735 23.282 22.972
42 1HG ARG 7 HG2 ARG 7 36.048 24.461 20.707
43 2HG ARG 7 HG1 ARG 7 36.835 25.754 21.615
44 1HD ARG 7 HD2 ARG 7 38.520 24.210 22.466
45 2HD ARG 7 HD1 ARG 7 37.685 22.832 21.716
46 HE ARG 7 HE ARG 7 38.686 25.117 20.040
47 1HH1 ARG 7 HH21 ARG 7 40.740 23.021 20.621
48 2HH1 ARG 7 HH22 ARG 7 40.541 21.923 19.297
49 1HH2 ARG 7 HH11 ARG 7 37.409 23.158 18.416
50 2HH2 ARG 7 HH12 ARG 7 38.646 22.006 18.044
51 H ARG 8 HN ARG 8 31.801 24.438 23.071
52 HA ARG 8 HA ARG 8 31.685 22.083 21.215
53 1HB ARG 8 HB2 ARG 8 30.798 22.366 24.091
54 2HB ARG 8 HB1 ARG 8 30.071 21.154 23.035
55 1HG ARG 8 HG2 ARG 8 32.864 20.969 22.626
56 2HG ARG 8 HG1 ARG 8 32.635 21.092 24.370
57 1HD ARG 8 HD2 ARG 8 30.917 19.242 24.216
58 2HD ARG 8 HD1 ARG 8 31.361 19.043 22.508
59 HE ARG 8 HE ARG 8 33.801 18.855 23.552
60 1HH1 ARG 8 HH21 ARG 8 32.288 16.298 23.195
61 2HH1 ARG 8 HH22 ARG 8 32.365 15.596 24.775
62 1HH2 ARG 8 HH11 ARG 8 33.264 18.578 26.332
63 2HH2 ARG 8 HH12 ARG 8 32.915 16.897 26.569
64 H GLY 9 HN GLY 9 29.466 24.067 23.250
65 1HA GLY 9 HA2 GLY 9 27.710 25.483 22.460
66 2HA GLY 9 HA1 GLY 9 27.958 24.860 20.833
67 H CYS 10 HN CYS 10 27.638 22.188 21.073
68 HA CYS 10 HA CYS 10 24.801 21.916 21.912
69 1HB CYS 10 HB2 CYS 10 26.417 21.062 19.717
70 2HB CYS 10 HB1 CYS 10 25.853 19.616 20.546
71 H SER 11 HN SER 11 25.341 21.777 24.105
72 HA SER 11 HA SER 11 27.089 19.684 25.187
73 1HB SER 11 HB2 SER 11 25.064 21.334 26.705
74 2HB SER 11 HB1 SER 11 26.660 20.802 27.232
75 HG SER 11 HG SER 11 27.138 22.799 26.637
76 H SER 12 HN SER 12 23.594 20.216 24.767
77 HA SER 12 HA SER 12 23.138 17.325 25.328
78 1HB SER 12 HB2 SER 12 21.538 19.563 26.631
79 2HB SER 12 HB1 SER 12 21.478 17.844 27.015
80 HG SER 12 HG SER 12 23.682 18.037 27.702
81 H ARG 13 HN ARG 13 20.157 18.044 25.399
82 HA ARG 13 HA ARG 13 19.804 18.316 22.448
83 1HB ARG 13 HB2 ARG 13 18.742 16.582 24.169
84 2HB ARG 13 HB1 ARG 13 17.592 17.890 24.448
85 1HG ARG 13 HG2 ARG 13 16.581 16.692 22.703
86 2HG ARG 13 HG1 ARG 13 17.427 17.978 21.842
87 1HD ARG 13 HD2 ARG 13 19.406 16.090 21.959
88 2HD ARG 13 HD1 ARG 13 17.964 15.058 21.854
89 HE ARG 13 HE ARG 13 18.528 17.279 19.912
90 1HH1 ARG 13 HH11 ARG 13 15.764 16.178 19.887
91 2HH1 ARG 13 HH12 ARG 13 15.866 14.927 18.696
92 1HH2 ARG 13 HH21 ARG 13 19.337 14.766 18.794
93 2HH2 ARG 13 HH22 ARG 13 17.901 14.118 18.078
94 H TRP 14 HN TRP 14 19.390 20.078 25.430
95 HA TRP 14 HA TRP 14 17.465 22.043 24.494
96 1HB TRP 14 HB2 TRP 14 17.823 21.451 26.849
97 2HB TRP 14 HB1 TRP 14 19.503 21.972 26.734
98 HD1 TRP 14 HD1 TRP 14 16.045 23.245 27.279
99 HE1 TRP 14 HE1 TRP 14 16.083 25.804 27.637
100 HE3 TRP 14 HE3 TRP 14 20.844 24.242 25.906
101 HZ2 TRP 14 HZ2 TRP 14 17.930 27.987 27.345
102 HZ3 TRP 14 HZ3 TRP 14 21.725 26.517 25.942
103 HH2 TRP 14 HH2 TRP 14 20.266 28.423 26.657
104 H CYS 15 HN CYS 15 20.993 21.765 24.289
105 HA CYS 15 HA CYS 15 21.217 24.649 23.744
106 1HB CYS 15 HB2 CYS 15 23.295 22.474 23.308
107 2HB CYS 15 HB1 CYS 15 23.578 24.172 23.676
108 H ARG 16 HN ARG 16 19.455 23.920 21.950
109 HA ARG 16 HA ARG 16 20.911 23.911 19.359
110 1HB ARG 16 HB2 ARG 16 18.438 22.233 19.868
111 2HB ARG 16 HB1 ARG 16 19.586 22.115 18.534
112 1HG ARG 16 HG2 ARG 16 21.358 21.462 20.229
113 2HG ARG 16 HG1 ARG 16 20.079 21.392 21.444
114 1HD ARG 16 HD2 ARG 16 20.709 19.160 20.289
115 2HD ARG 16 HD1 ARG 16 18.984 19.577 20.339
116 HE ARG 16 HE ARG 16 19.045 19.814 17.975
117 1HH1 ARG 16 HH11 ARG 16 21.838 18.320 18.523
118 2HH1 ARG 16 HH12 ARG 16 22.810 19.160 17.365
119 1HH2 ARG 16 HH21 ARG 16 20.445 21.639 16.787
120 2HH2 ARG 16 HH22 ARG 16 22.014 21.041 16.370
121 H ASP 17 HN ASP 17 17.631 24.072 20.842
122 HA ASP 17 HA ASP 17 16.696 25.996 18.798
123 1HB ASP 17 HB2 ASP 17 15.489 24.617 21.218
124 2HB ASP 17 HB1 ASP 17 14.584 25.746 20.217
125 H HIS 18 HN HIS 18 18.804 26.701 21.005
126 HA HIS 18 HA HIS 18 17.546 29.273 21.805
127 1HB HIS 18 HB2 HIS 18 19.003 27.882 24.003
128 2HB HIS 18 HB1 HIS 18 17.578 28.900 24.085
129 HD1 HIS 18 HD1 HIS 18 18.236 25.483 22.505
130 HD2 HIS 18 HD2 HIS 18 15.617 27.296 25.129
131 HE1 HIS 18 HE1 HIS 18 16.573 23.727 23.166
132 H SER 19 HN SER 19 20.456 27.218 22.276
133 HA SER 19 HA SER 19 22.173 29.615 22.270
134 1HB SER 19 HB2 SER 19 23.518 27.025 22.209
135 2HB SER 19 HB1 SER 19 23.581 28.280 23.426
136 HG SER 19 HG SER 19 21.476 27.467 24.131
137 H ARG 20 HN ARG 20 22.626 30.460 20.244
138 HA ARG 20 HA ARG 20 22.539 28.909 17.804
139 1HB ARG 20 HB2 ARG 20 23.317 31.665 18.672
140 2HB ARG 20 HB1 ARG 20 23.829 31.126 17.073
141 1HG ARG 20 HG2 ARG 20 21.322 30.352 16.836
142 2HG ARG 20 HG1 ARG 20 21.040 31.514 18.133
143 1HD ARG 20 HD2 ARG 20 22.598 32.272 15.646
144 2HD ARG 20 HD1 ARG 20 20.831 32.422 15.728
145 HE ARG 20 HE ARG 20 21.403 33.724 17.973
146 1HH1 ARG 20 HH21 ARG 20 24.305 33.952 17.502
147 2HH1 ARG 20 HH22 ARG 20 24.450 35.418 16.593
148 1HH2 ARG 20 HH11 ARG 20 21.073 35.535 15.761
149 2HH2 ARG 20 HH12 ARG 20 22.607 36.325 15.603
150 H CYS 21 HN CYS 21 24.093 27.240 18.966
151 HA CYS 21 HA CYS 21 26.839 27.738 17.902
152 1HB CYS 21 HB2 CYS 21 26.169 26.766 20.707
153 2HB CYS 21 HB1 CYS 21 27.790 26.950 20.042
154 H CYS 22 HN CYS 22 24.781 26.056 16.798
155 HA CYS 22 HA CYS 22 26.152 23.438 16.888
156 1HB CYS 22 HB2 CYS 22 24.434 23.660 18.824
157 2HB CYS 22 HB1 CYS 22 23.209 23.562 17.559
Start of MODEL 3
1 1H 5HP 1 HT1 5HP 1 30.030 31.742 26.977
2 2H 5HP 1 HT2 5HP 1 31.112 30.462 27.268
3 HA 5HP 1 HA 5HP 1 28.394 30.277 26.520
4 1HB 5HP 1 HB1 5HP 1 28.520 30.005 24.254
5 2HB 5HP 1 HB2 5HP 1 29.630 28.644 24.490
6 1HG 5HP 1 HG1 5HP 1 30.238 31.284 23.532
7 2HG 5HP 1 HG2 5HP 1 31.358 29.927 23.789
8 H ARG 2 HN ARG 2 27.787 27.902 26.616
9 HA ARG 2 HA ARG 2 29.583 26.477 28.505
10 1HB ARG 2 HB2 ARG 2 27.061 26.958 28.790
11 2HB ARG 2 HB1 ARG 2 26.811 25.703 27.580
12 1HG ARG 2 HG2 ARG 2 28.684 24.833 29.622
13 2HG ARG 2 HG1 ARG 2 27.138 25.315 30.325
14 1HD ARG 2 HD2 ARG 2 25.921 23.779 28.887
15 2HD ARG 2 HD1 ARG 2 27.402 23.390 27.984
16 HE ARG 2 HE ARG 2 28.119 22.032 29.808
17 1HH1 ARG 2 HH11 ARG 2 25.007 22.098 30.335
18 2HH1 ARG 2 HH12 ARG 2 25.000 22.310 32.051
19 1HH2 ARG 2 HH21 ARG 2 28.367 23.204 32.187
20 2HH2 ARG 2 HH22 ARG 2 26.928 22.954 33.116
21 H CYS 3 HN CYS 3 27.466 25.293 25.831
22 HA CYS 3 HA CYS 3 29.430 23.134 25.290
23 1HB CYS 3 HB2 CYS 3 26.618 23.792 24.432
24 2HB CYS 3 HB1 CYS 3 27.525 22.485 23.677
25 H CYS 4 HN CYS 4 30.073 25.968 24.503
26 HA CYS 4 HA CYS 4 30.617 25.386 21.618
27 1HB CYS 4 HB2 CYS 4 29.029 27.623 22.826
28 2HB CYS 4 HB1 CYS 4 29.988 27.952 21.392
29 H ASN 5 HN ASN 5 32.088 25.783 24.364
30 HA ASN 5 HA ASN 5 34.236 27.547 23.250
31 1HB ASN 5 HB2 ASN 5 32.510 28.155 25.351
32 2HB ASN 5 HB1 ASN 5 33.931 27.530 26.182
33 1HD2 ASN 5 HD21 ASN 5 34.306 29.787 26.949
34 2HD2 ASN 5 HD22 ASN 5 35.027 30.924 25.916
35 H GLY 6 HN GLY 6 33.828 24.607 23.314
36 1HA GLY 6 HA2 GLY 6 36.226 23.889 24.970
37 2HA GLY 6 HA1 GLY 6 34.833 22.813 24.845
38 H ARG 7 HN ARG 7 34.884 21.298 23.231
39 HA ARG 7 HA ARG 7 36.734 21.771 20.913
40 1HB ARG 7 HB2 ARG 7 36.392 19.285 22.625
41 2HB ARG 7 HB1 ARG 7 37.373 19.358 21.163
42 1HG ARG 7 HG2 ARG 7 38.295 21.535 22.591
43 2HG ARG 7 HG1 ARG 7 37.963 20.367 23.868
44 1HD ARG 7 HD2 ARG 7 39.458 19.436 21.424
45 2HD ARG 7 HD1 ARG 7 40.328 20.357 22.668
46 HE ARG 7 HE ARG 7 38.714 17.919 23.365
47 1HH1 ARG 7 HH21 ARG 7 41.479 17.227 22.727
48 2HH1 ARG 7 HH22 ARG 7 42.306 17.402 24.239
49 1HH2 ARG 7 HH11 ARG 7 39.783 19.319 25.683
50 2HH2 ARG 7 HH12 ARG 7 41.346 18.612 25.920
51 H ARG 8 HN ARG 8 34.163 19.524 22.099
52 HA ARG 8 HA ARG 8 33.300 19.078 19.301
53 1HB ARG 8 HB2 ARG 8 33.575 17.265 21.066
54 2HB ARG 8 HB1 ARG 8 32.163 17.943 21.874
55 1HG ARG 8 HG2 ARG 8 30.879 16.675 20.526
56 2HG ARG 8 HG1 ARG 8 31.406 17.682 19.175
57 1HD ARG 8 HD2 ARG 8 33.376 15.632 19.999
58 2HD ARG 8 HD1 ARG 8 31.866 14.983 19.331
59 HE ARG 8 HE ARG 8 32.324 16.109 17.255
60 1HH1 ARG 8 HH21 ARG 8 35.123 15.263 18.484
61 2HH1 ARG 8 HH22 ARG 8 36.067 16.629 17.982
62 1HH2 ARG 8 HH11 ARG 8 33.288 18.542 17.142
63 2HH2 ARG 8 HH12 ARG 8 35.017 18.497 17.214
64 H GLY 9 HN GLY 9 31.355 19.659 22.265
65 1HA GLY 9 HA2 GLY 9 30.013 21.804 22.365
66 2HA GLY 9 HA1 GLY 9 29.701 21.562 20.645
67 H CYS 10 HN CYS 10 29.129 18.819 20.604
68 HA CYS 10 HA CYS 10 26.422 18.803 21.817
69 1HB CYS 10 HB2 CYS 10 27.870 16.850 19.985
70 2HB CYS 10 HB1 CYS 10 26.148 16.814 20.369
71 H SER 11 HN SER 11 27.515 18.703 23.954
72 HA SER 11 HA SER 11 28.811 16.193 24.740
73 1HB SER 11 HB2 SER 11 29.337 18.566 25.571
74 2HB SER 11 HB1 SER 11 27.834 18.492 26.481
75 HG SER 11 HG SER 11 30.093 16.770 26.688
76 H SER 12 HN SER 12 25.707 17.835 25.344
77 HA SER 12 HA SER 12 24.563 15.209 26.227
78 1HB SER 12 HB2 SER 12 24.084 17.930 27.492
79 2HB SER 12 HB1 SER 12 23.517 16.385 28.100
80 HG SER 12 HG SER 12 25.572 15.855 28.688
81 H ARG 13 HN ARG 13 22.017 16.745 26.824
82 HA ARG 13 HA ARG 13 21.083 17.034 24.000
83 1HB ARG 13 HB2 ARG 13 20.070 15.908 26.449
84 2HB ARG 13 HB1 ARG 13 18.971 17.179 25.910
85 1HG ARG 13 HG2 ARG 13 20.023 15.123 23.978
86 2HG ARG 13 HG1 ARG 13 18.612 14.773 24.980
87 1HD ARG 13 HD2 ARG 13 18.544 17.401 23.589
88 2HD ARG 13 HD1 ARG 13 18.455 15.972 22.537
89 HE ARG 13 HE ARG 13 16.648 16.345 24.896
90 1HH1 ARG 13 HH11 ARG 13 17.195 13.965 22.758
91 2HH1 ARG 13 HH12 ARG 13 15.665 14.014 21.953
92 1HH2 ARG 13 HH21 ARG 13 14.728 17.041 23.404
93 2HH2 ARG 13 HH22 ARG 13 14.248 15.769 22.333
94 H TRP 14 HN TRP 14 22.189 18.919 26.483
95 HA TRP 14 HA TRP 14 20.341 21.206 26.287
96 1HB TRP 14 HB2 TRP 14 21.368 20.523 28.402
97 2HB TRP 14 HB1 TRP 14 22.973 20.617 27.677
98 HD1 TRP 14 HD1 TRP 14 20.361 22.619 29.353
99 HE1 TRP 14 HE1 TRP 14 21.089 25.091 29.541
100 HE3 TRP 14 HE3 TRP 14 24.396 22.578 26.277
101 HZ2 TRP 14 HZ2 TRP 14 23.140 26.798 28.501
102 HZ3 TRP 14 HZ3 TRP 14 25.714 24.575 25.913
103 HH2 TRP 14 HH2 TRP 14 25.111 26.712 27.000
104 H CYS 15 HN CYS 15 23.313 20.149 24.760
105 HA CYS 15 HA CYS 15 24.062 22.921 24.103
106 1HB CYS 15 HB2 CYS 15 25.187 20.400 22.850
107 2HB CYS 15 HB1 CYS 15 26.016 21.910 23.194
108 H ARG 16 HN ARG 16 21.649 22.892 23.109
109 HA ARG 16 HA ARG 16 21.975 22.690 20.149
110 1HB ARG 16 HB2 ARG 16 19.377 21.845 21.370
111 2HB ARG 16 HB1 ARG 16 20.134 21.306 19.876
112 1HG ARG 16 HG2 ARG 16 21.897 20.178 21.382
113 2HG ARG 16 HG1 ARG 16 20.757 20.441 22.706
114 1HD ARG 16 HD2 ARG 16 20.223 18.895 20.140
115 2HD ARG 16 HD1 ARG 16 20.353 18.221 21.776
116 HE ARG 16 HE ARG 16 18.234 19.245 22.342
117 1HH1 ARG 16 HH21 ARG 16 18.304 18.501 19.196
118 2HH1 ARG 16 HH22 ARG 16 17.271 19.760 18.622
119 1HH2 ARG 16 HH11 ARG 16 17.300 21.537 21.612
120 2HH2 ARG 16 HH12 ARG 16 16.660 21.454 20.007
121 H ASP 17 HN ASP 17 19.641 23.553 22.741
122 HA ASP 17 HA ASP 17 18.556 25.832 21.202
123 1HB ASP 17 HB2 ASP 17 18.009 24.867 24.026
124 2HB ASP 17 HB1 ASP 17 16.963 25.873 23.040
125 H HIS 18 HN HIS 18 21.420 25.763 22.539
126 HA HIS 18 HA HIS 18 21.228 28.505 23.675
127 1HB HIS 18 HB2 HIS 18 22.949 26.630 25.216
128 2HB HIS 18 HB1 HIS 18 21.893 27.904 25.800
129 HD1 HIS 18 HD1 HIS 18 21.232 24.558 24.061
130 HD2 HIS 18 HD2 HIS 18 20.021 26.710 27.344
131 HE1 HIS 18 HE1 HIS 18 19.450 23.186 25.174
132 H SER 19 HN SER 19 23.626 25.849 23.407
133 HA SER 19 HA SER 19 25.649 27.769 22.422
134 1HB SER 19 HB2 SER 19 25.817 24.792 22.920
135 2HB SER 19 HB1 SER 19 27.165 25.871 22.725
136 HG SER 19 HG SER 19 25.707 26.927 24.620
137 H ARG 20 HN ARG 20 25.644 28.195 20.238
138 HA ARG 20 HA ARG 20 24.305 26.539 18.279
139 1HB ARG 20 HB2 ARG 20 26.354 28.771 17.976
140 2HB ARG 20 HB1 ARG 20 25.272 28.188 16.713
141 1HG ARG 20 HG2 ARG 20 23.802 28.872 19.137
142 2HG ARG 20 HG1 ARG 20 24.733 30.242 18.533
143 1HD ARG 20 HD2 ARG 20 23.462 30.436 16.635
144 2HD ARG 20 HD1 ARG 20 23.262 28.679 16.473
145 HE ARG 20 HE ARG 20 21.851 30.145 18.672
146 1HH1 ARG 20 HH21 ARG 20 20.372 30.351 16.126
147 2HH1 ARG 20 HH22 ARG 20 19.371 28.938 16.147
148 1HH2 ARG 20 HH11 ARG 20 21.210 27.346 18.623
149 2HH2 ARG 20 HH12 ARG 20 19.831 27.246 17.581
150 H CYS 21 HN CYS 21 25.701 24.567 19.200
151 HA CYS 21 HA CYS 21 27.901 24.120 17.233
152 1HB CYS 21 HB2 CYS 21 28.027 23.639 20.232
153 2HB CYS 21 HB1 CYS 21 29.276 23.161 19.088
154 H CYS 22 HN CYS 22 25.346 23.113 16.935
155 HA CYS 22 HA CYS 22 25.771 20.239 16.927
156 1HB CYS 22 HB2 CYS 22 24.945 21.263 19.343
157 2HB CYS 22 HB1 CYS 22 23.400 20.902 18.581
Start of MODEL 4
1 1H 5HP 1 HT1 5HP 1 27.704 36.354 24.906
2 2H 5HP 1 HT2 5HP 1 27.024 35.787 26.360
3 HA 5HP 1 HA 5HP 1 29.259 34.745 25.004
4 1HB 5HP 1 HB1 5HP 1 31.018 35.827 25.976
5 2HB 5HP 1 HB2 5HP 1 30.457 35.270 27.561
6 1HG 5HP 1 HG1 5HP 1 30.318 37.921 26.453
7 2HG 5HP 1 HG2 5HP 1 29.758 37.367 28.046
8 H ARG 2 HN ARG 2 28.614 32.635 25.319
9 HA ARG 2 HA ARG 2 28.153 31.702 28.109
10 1HB ARG 2 HB2 ARG 2 26.194 31.854 25.863
11 2HB ARG 2 HB1 ARG 2 26.117 30.429 26.898
12 1HG ARG 2 HG2 ARG 2 26.342 33.068 28.253
13 2HG ARG 2 HG1 ARG 2 24.804 32.691 27.484
14 1HD ARG 2 HD2 ARG 2 24.689 31.888 29.777
15 2HD ARG 2 HD1 ARG 2 24.841 30.464 28.720
16 HE ARG 2 HE ARG 2 27.118 30.206 29.441
17 1HH1 ARG 2 HH11 ARG 2 27.989 33.075 29.472
18 2HH1 ARG 2 HH12 ARG 2 28.197 33.369 31.165
19 1HH2 ARG 2 HH21 ARG 2 26.317 30.607 32.149
20 2HH2 ARG 2 HH22 ARG 2 27.229 31.977 32.691
21 H CYS 3 HN CYS 3 27.046 29.557 25.659
22 HA CYS 3 HA CYS 3 29.476 27.902 26.060
23 1HB CYS 3 HB2 CYS 3 27.010 27.048 24.566
24 2HB CYS 3 HB1 CYS 3 28.074 26.095 25.598
25 H CYS 4 HN CYS 4 29.116 30.303 24.050
26 HA CYS 4 HA CYS 4 29.776 28.765 21.562
27 1HB CYS 4 HB2 CYS 4 28.629 31.476 22.157
28 2HB CYS 4 HB1 CYS 4 29.374 31.153 20.595
29 H ASN 5 HN ASN 5 31.442 29.931 24.062
30 HA ASN 5 HA ASN 5 33.707 30.888 22.355
31 1HB ASN 5 HB2 ASN 5 32.253 32.178 24.501
32 2HB ASN 5 HB1 ASN 5 33.939 31.956 24.970
33 1HD2 ASN 5 HD21 ASN 5 35.577 32.658 23.173
34 2HD2 ASN 5 HD22 ASN 5 35.174 34.054 22.295
35 H GLY 6 HN GLY 6 33.053 28.190 23.273
36 1HA GLY 6 HA2 GLY 6 35.388 27.719 25.090
37 2HA GLY 6 HA1 GLY 6 33.886 26.812 25.266
38 H ARG 7 HN ARG 7 35.010 24.804 24.851
39 HA ARG 7 HA ARG 7 36.090 24.496 22.078
40 1HB ARG 7 HB2 ARG 7 37.202 22.497 23.045
41 2HB ARG 7 HB1 ARG 7 37.597 23.968 23.934
42 1HG ARG 7 HG2 ARG 7 36.083 23.412 25.706
43 2HG ARG 7 HG1 ARG 7 35.357 22.107 24.766
44 1HD ARG 7 HD2 ARG 7 36.985 20.635 25.373
45 2HD ARG 7 HD1 ARG 7 38.273 21.818 25.067
46 HE ARG 7 HE ARG 7 38.047 22.619 27.323
47 1HH1 ARG 7 HH21 ARG 7 37.682 19.650 27.826
48 2HH1 ARG 7 HH22 ARG 7 36.280 19.637 28.839
49 1HH2 ARG 7 HH11 ARG 7 35.359 22.892 28.014
50 2HH2 ARG 7 HH12 ARG 7 34.950 21.492 28.941
51 H ARG 8 HN ARG 8 33.197 23.883 23.708
52 HA ARG 8 HA ARG 8 32.543 21.718 21.756
53 1HB ARG 8 HB2 ARG 8 33.106 21.033 24.234
54 2HB ARG 8 HB1 ARG 8 31.492 21.650 24.580
55 1HG ARG 8 HG2 ARG 8 31.135 19.352 24.121
56 2HG ARG 8 HG1 ARG 8 30.714 20.161 22.610
57 1HD ARG 8 HD2 ARG 8 33.065 19.720 21.788
58 2HD ARG 8 HD1 ARG 8 33.331 18.743 23.247
59 HE ARG 8 HE ARG 8 30.891 18.034 21.759
60 1HH1 ARG 8 HH11 ARG 8 32.191 16.012 23.403
61 2HH1 ARG 8 HH12 ARG 8 33.080 15.060 22.262
62 1HH2 ARG 8 HH21 ARG 8 32.936 17.477 19.762
63 2HH2 ARG 8 HH22 ARG 8 33.506 15.897 20.184
64 H GLY 9 HN GLY 9 30.848 23.563 24.358
65 1HA GLY 9 HA2 GLY 9 29.288 25.379 23.755
66 2HA GLY 9 HA1 GLY 9 28.965 24.536 22.245
67 H CYS 10 HN CYS 10 28.591 21.918 23.319
68 HA CYS 10 HA CYS 10 25.886 22.238 24.469
69 1HB CYS 10 HB2 CYS 10 27.443 19.759 23.625
70 2HB CYS 10 HB1 CYS 10 25.705 19.854 23.898
71 H SER 11 HN SER 11 26.968 23.096 26.457
72 HA SER 11 HA SER 11 28.375 21.173 28.183
73 1HB SER 11 HB2 SER 11 27.589 24.065 28.204
74 2HB SER 11 HB1 SER 11 27.888 23.299 29.763
75 HG SER 11 HG SER 11 29.913 22.546 28.812
76 H SER 12 HN SER 12 25.105 22.486 27.869
77 HA SER 12 HA SER 12 24.134 20.412 29.762
78 1HB SER 12 HB2 SER 12 24.614 23.183 30.385
79 2HB SER 12 HB1 SER 12 22.883 22.922 30.406
80 HG SER 12 HG SER 12 23.159 21.956 32.244
81 H ARG 13 HN ARG 13 21.514 21.924 29.866
82 HA ARG 13 HA ARG 13 20.497 21.182 27.173
83 1HB ARG 13 HB2 ARG 13 19.294 20.303 29.088
84 2HB ARG 13 HB1 ARG 13 19.237 21.894 29.849
85 1HG ARG 13 HG2 ARG 13 17.069 21.201 28.761
86 2HG ARG 13 HG1 ARG 13 17.716 22.727 28.162
87 1HD ARG 13 HD2 ARG 13 18.676 21.539 26.189
88 2HD ARG 13 HD1 ARG 13 17.977 20.019 26.785
89 HE ARG 13 HE ARG 13 15.746 20.968 26.472
90 1HH1 ARG 13 HH11 ARG 13 18.007 23.491 26.079
91 2HH1 ARG 13 HH12 ARG 13 17.151 24.248 24.763
92 1HH2 ARG 13 HH21 ARG 13 14.803 21.723 24.462
93 2HH2 ARG 13 HH22 ARG 13 15.361 23.250 23.854
94 H TRP 14 HN TRP 14 21.467 23.928 28.983
95 HA TRP 14 HA TRP 14 19.682 25.889 27.810
96 1HB TRP 14 HB2 TRP 14 20.742 26.116 29.999
97 2HB TRP 14 HB1 TRP 14 22.337 26.078 29.243
98 HD1 TRP 14 HD1 TRP 14 19.507 28.346 30.046
99 HE1 TRP 14 HE1 TRP 14 20.006 30.737 29.174
100 HE3 TRP 14 HE3 TRP 14 23.567 27.376 27.174
101 HZ2 TRP 14 HZ2 TRP 14 21.899 32.015 27.428
102 HZ3 TRP 14 HZ3 TRP 14 24.708 29.127 25.931
103 HH2 TRP 14 HH2 TRP 14 23.886 31.475 26.035
104 H CYS 15 HN CYS 15 22.913 24.640 26.898
105 HA CYS 15 HA CYS 15 23.251 26.922 25.082
106 1HB CYS 15 HB2 CYS 15 24.862 24.344 25.063
107 2HB CYS 15 HB1 CYS 15 25.395 25.961 24.621
108 H ARG 16 HN ARG 16 20.929 25.985 24.293
109 HA ARG 16 HA ARG 16 21.474 24.644 21.681
110 1HB ARG 16 HB2 ARG 16 18.992 23.999 23.258
111 2HB ARG 16 HB1 ARG 16 19.794 23.043 22.020
112 1HG ARG 16 HG2 ARG 16 21.621 23.374 24.213
113 2HG ARG 16 HG1 ARG 16 20.076 22.837 24.854
114 1HD ARG 16 HD2 ARG 16 21.652 21.487 22.621
115 2HD ARG 16 HD1 ARG 16 21.396 20.859 24.261
116 HE ARG 16 HE ARG 16 18.839 21.106 23.579
117 1HH1 ARG 16 HH21 ARG 16 20.657 18.664 22.802
118 2HH1 ARG 16 HH22 ARG 16 20.085 18.367 21.197
119 1HH2 ARG 16 HH11 ARG 16 18.450 21.432 20.944
120 2HH2 ARG 16 HH12 ARG 16 18.833 19.950 20.135
121 H ASP 17 HN ASP 17 18.952 26.233 23.676
122 HA ASP 17 HA ASP 17 17.678 27.414 21.273
123 1HB ASP 17 HB2 ASP 17 17.113 27.340 24.247
124 2HB ASP 17 HB1 ASP 17 16.079 28.192 23.107
125 H HIS 18 HN HIS 18 20.419 28.354 22.493
126 HA HIS 18 HA HIS 18 19.790 31.258 22.362
127 1HB HIS 18 HB2 HIS 18 21.683 30.461 24.518
128 2HB HIS 18 HB1 HIS 18 20.503 31.757 24.499
129 HD1 HIS 18 HD1 HIS 18 20.199 27.946 24.451
130 HD2 HIS 18 HD2 HIS 18 18.772 31.206 26.534
131 HE1 HIS 18 HE1 HIS 18 18.582 27.040 26.141
132 H SER 19 HN SER 19 22.480 29.004 23.133
133 HA SER 19 HA SER 19 24.346 30.647 21.550
134 1HB SER 19 HB2 SER 19 25.918 28.784 22.381
135 2HB SER 19 HB1 SER 19 25.166 29.779 23.621
136 HG SER 19 HG SER 19 24.203 27.263 22.679
137 H ARG 20 HN ARG 20 24.076 30.336 19.326
138 HA ARG 20 HA ARG 20 23.213 27.820 18.157
139 1HB ARG 20 HB2 ARG 20 23.641 30.534 17.389
140 2HB ARG 20 HB1 ARG 20 24.624 29.539 16.314
141 1HG ARG 20 HG2 ARG 20 22.687 29.297 15.143
142 2HG ARG 20 HG1 ARG 20 22.309 28.092 16.375
143 1HD ARG 20 HD2 ARG 20 21.142 29.814 17.717
144 2HD ARG 20 HD1 ARG 20 21.514 31.028 16.476
145 HE ARG 20 HE ARG 20 20.195 29.611 14.864
146 1HH1 ARG 20 HH11 ARG 20 18.435 30.728 17.078
147 2HH1 ARG 20 HH12 ARG 20 17.489 29.344 17.497
148 1HH2 ARG 20 HH21 ARG 20 19.602 27.097 15.882
149 2HH2 ARG 20 HH22 ARG 20 18.154 27.267 16.816
150 H CYS 21 HN CYS 21 25.189 26.966 19.722
151 HA CYS 21 HA CYS 21 27.378 26.202 17.849
152 1HB CYS 21 HB2 CYS 21 27.848 27.055 20.722
153 2HB CYS 21 HB1 CYS 21 29.050 26.807 19.462
154 H CYS 22 HN CYS 22 25.362 24.510 18.280
155 HA CYS 22 HA CYS 22 26.508 22.436 20.063
156 1HB CYS 22 HB2 CYS 22 24.811 23.971 21.266
157 2HB CYS 22 HB1 CYS 22 23.592 23.244 20.227
Start of MODEL 5
1 1H 5HP 1 HT1 5HP 1 32.705 32.232 28.366
2 2H 5HP 1 HT2 5HP 1 32.668 30.556 28.688
3 HA 5HP 1 HA 5HP 1 30.865 32.268 29.727
4 1HB 5HP 1 HB1 5HP 1 29.676 33.028 27.904
5 2HB 5HP 1 HB2 5HP 1 28.935 31.417 27.882
6 1HG 5HP 1 HG1 5HP 1 30.713 32.557 25.954
7 2HG 5HP 1 HG2 5HP 1 30.059 30.903 25.984
8 H ARG 2 HN ARG 2 30.072 29.391 27.725
9 HA ARG 2 HA ARG 2 29.859 27.755 30.226
10 1HB ARG 2 HB2 ARG 2 27.813 28.347 28.095
11 2HB ARG 2 HB1 ARG 2 27.740 26.822 28.979
12 1HG ARG 2 HG2 ARG 2 28.138 28.709 30.971
13 2HG ARG 2 HG1 ARG 2 27.044 29.515 29.847
14 1HD ARG 2 HD2 ARG 2 25.713 27.265 29.877
15 2HD ARG 2 HD1 ARG 2 26.603 26.960 31.386
16 HE ARG 2 HE ARG 2 25.201 29.583 31.058
17 1HH1 ARG 2 HH11 ARG 2 23.298 27.357 31.676
18 2HH1 ARG 2 HH12 ARG 2 23.262 27.373 33.407
19 1HH2 ARG 2 HH21 ARG 2 26.203 29.213 33.714
20 2HH2 ARG 2 HH22 ARG 2 24.922 28.423 34.572
21 H CYS 3 HN CYS 3 28.851 26.874 26.939
22 HA CYS 3 HA CYS 3 30.845 24.670 26.993
23 1HB CYS 3 HB2 CYS 3 28.734 25.156 24.893
24 2HB CYS 3 HB1 CYS 3 29.392 23.623 25.455
25 H CYS 4 HN CYS 4 31.378 27.695 26.199
26 HA CYS 4 HA CYS 4 32.618 27.050 23.530
27 1HB CYS 4 HB2 CYS 4 31.355 29.524 24.697
28 2HB CYS 4 HB1 CYS 4 32.508 29.652 23.374
29 H ASN 5 HN ASN 5 33.626 26.826 26.438
30 HA ASN 5 HA ASN 5 36.110 28.468 26.087
31 1HB ASN 5 HB2 ASN 5 34.147 28.475 28.108
32 2HB ASN 5 HB1 ASN 5 35.525 27.629 28.807
33 1HD2 ASN 5 HD21 ASN 5 35.247 30.462 26.562
34 2HD2 ASN 5 HD22 ASN 5 36.268 31.460 27.483
35 H GLY 6 HN GLY 6 35.596 25.742 25.108
36 1HA GLY 6 HA2 GLY 6 37.882 24.403 26.402
37 2HA GLY 6 HA1 GLY 6 36.345 23.549 26.526
38 H ARG 7 HN ARG 7 35.960 22.107 24.908
39 HA ARG 7 HA ARG 7 36.884 22.706 22.149
40 1HB ARG 7 HB2 ARG 7 38.012 20.442 22.099
41 2HB ARG 7 HB1 ARG 7 38.793 21.619 23.152
42 1HG ARG 7 HG2 ARG 7 36.850 20.322 24.752
43 2HG ARG 7 HG1 ARG 7 37.650 19.049 23.832
44 1HD ARG 7 HD2 ARG 7 39.791 20.625 24.595
45 2HD ARG 7 HD1 ARG 7 38.722 20.728 26.008
46 HE ARG 7 HE ARG 7 38.873 18.002 25.022
47 1HH1 ARG 7 HH11 ARG 7 41.754 18.891 25.258
48 2HH1 ARG 7 HH12 ARG 7 42.126 18.446 26.889
49 1HH2 ARG 7 HH21 ARG 7 38.793 18.104 27.822
50 2HH2 ARG 7 HH22 ARG 7 40.439 17.994 28.351
51 H ARG 8 HN ARG 8 34.214 22.354 23.479
52 HA ARG 8 HA ARG 8 33.265 19.980 21.907
53 1HB ARG 8 HB2 ARG 8 33.226 19.660 24.364
54 2HB ARG 8 HB1 ARG 8 32.236 21.108 24.535
55 1HG ARG 8 HG2 ARG 8 30.812 19.114 24.586
56 2HG ARG 8 HG1 ARG 8 30.480 20.049 23.127
57 1HD ARG 8 HD2 ARG 8 31.522 18.491 21.727
58 2HD ARG 8 HD1 ARG 8 32.536 17.845 23.035
59 HE ARG 8 HE ARG 8 30.204 17.095 24.027
60 1HH1 ARG 8 HH11 ARG 8 31.618 15.238 22.133
61 2HH1 ARG 8 HH12 ARG 8 30.364 14.846 21.008
62 1HH2 ARG 8 HH21 ARG 8 28.340 17.521 21.954
63 2HH2 ARG 8 HH22 ARG 8 28.487 16.145 20.906
64 H GLY 9 HN GLY 9 31.895 22.933 23.452
65 1HA GLY 9 HA2 GLY 9 30.642 24.662 22.418
66 2HA GLY 9 HA1 GLY 9 30.773 23.798 20.884
67 H CYS 10 HN CYS 10 29.601 21.561 21.018
68 HA CYS 10 HA CYS 10 26.829 22.070 22.003
69 1HB CYS 10 HB2 CYS 10 27.858 19.932 20.096
70 2HB CYS 10 HB1 CYS 10 26.196 20.481 20.290
71 H SER 11 HN SER 11 27.597 21.531 24.180
72 HA SER 11 HA SER 11 28.473 18.778 24.751
73 1HB SER 11 HB2 SER 11 29.437 20.557 26.039
74 2HB SER 11 HB1 SER 11 27.863 21.285 26.343
75 HG SER 11 HG SER 11 28.849 18.806 27.331
76 H SER 12 HN SER 12 25.632 20.796 25.674
77 HA SER 12 HA SER 12 24.064 18.250 25.961
78 1HB SER 12 HB2 SER 12 24.685 19.294 28.113
79 2HB SER 12 HB1 SER 12 24.010 20.828 27.571
80 HG SER 12 HG SER 12 22.729 18.448 28.336
81 H ARG 13 HN ARG 13 21.702 20.035 26.602
82 HA ARG 13 HA ARG 13 20.950 20.716 23.790
83 1HB ARG 13 HB2 ARG 13 19.685 19.620 26.121
84 2HB ARG 13 HB1 ARG 13 18.862 21.128 25.716
85 1HG ARG 13 HG2 ARG 13 19.392 19.681 23.284
86 2HG ARG 13 HG1 ARG 13 18.600 18.602 24.433
87 1HD ARG 13 HD2 ARG 13 16.816 19.702 23.253
88 2HD ARG 13 HD1 ARG 13 16.915 20.530 24.822
89 HE ARG 13 HE ARG 13 18.535 21.635 22.579
90 1HH1 ARG 13 HH11 ARG 13 15.439 21.952 22.543
91 2HH1 ARG 13 HH12 ARG 13 15.289 23.545 23.202
92 1HH2 ARG 13 HH21 ARG 13 18.578 23.649 24.352
93 2HH2 ARG 13 HH22 ARG 13 17.081 24.526 24.228
94 H TRP 14 HN TRP 14 22.201 22.232 26.550
95 HA TRP 14 HA TRP 14 20.805 24.814 26.184
96 1HB TRP 14 HB2 TRP 14 21.335 23.932 28.420
97 2HB TRP 14 HB1 TRP 14 23.044 23.866 27.995
98 HD1 TRP 14 HD1 TRP 14 20.382 26.197 29.156
99 HE1 TRP 14 HE1 TRP 14 21.349 28.561 29.522
100 HE3 TRP 14 HE3 TRP 14 24.912 25.558 27.012
101 HZ2 TRP 14 HZ2 TRP 14 23.770 29.984 28.939
102 HZ3 TRP 14 HZ3 TRP 14 26.542 27.380 26.909
103 HH2 TRP 14 HH2 TRP 14 25.989 29.622 27.869
104 H CYS 15 HN CYS 15 23.891 23.353 25.223
105 HA CYS 15 HA CYS 15 25.023 26.031 24.732
106 1HB CYS 15 HB2 CYS 15 26.145 23.451 23.634
107 2HB CYS 15 HB1 CYS 15 27.007 24.862 24.232
108 H ARG 16 HN ARG 16 22.784 26.139 23.344
109 HA ARG 16 HA ARG 16 23.575 25.693 20.484
110 1HB ARG 16 HB2 ARG 16 20.748 25.496 21.562
111 2HB ARG 16 HB1 ARG 16 21.358 24.928 20.011
112 1HG ARG 16 HG2 ARG 16 22.740 23.736 22.330
113 2HG ARG 16 HG1 ARG 16 21.026 23.343 22.250
114 1HD ARG 16 HD2 ARG 16 22.441 23.166 19.645
115 2HD ARG 16 HD1 ARG 16 22.947 21.975 20.862
116 HE ARG 16 HE ARG 16 20.526 21.354 21.097
117 1HH1 ARG 16 HH21 ARG 16 19.268 23.688 19.742
118 2HH1 ARG 16 HH22 ARG 16 18.902 23.053 18.174
119 1HH2 ARG 16 HH11 ARG 16 21.058 20.342 18.474
120 2HH2 ARG 16 HH12 ARG 16 19.921 21.151 17.444
121 H ASP 17 HN ASP 17 21.104 27.368 22.481
122 HA ASP 17 HA ASP 17 21.144 29.685 20.607
123 1HB ASP 17 HB2 ASP 17 19.366 28.600 22.775
124 2HB ASP 17 HB1 ASP 17 19.211 30.290 22.304
125 H HIS 18 HN HIS 18 23.315 29.083 22.759
126 HA HIS 18 HA HIS 18 23.322 31.834 23.936
127 1HB HIS 18 HB2 HIS 18 24.344 29.606 25.632
128 2HB HIS 18 HB1 HIS 18 23.521 31.075 26.118
129 HD1 HIS 18 HD1 HIS 18 22.539 27.966 24.152
130 HD2 HIS 18 HD2 HIS 18 21.118 30.323 27.231
131 HE1 HIS 18 HE1 HIS 18 20.356 26.956 24.865
132 H SER 19 HN SER 19 25.216 28.795 23.588
133 HA SER 19 HA SER 19 27.753 30.318 23.596
134 1HB SER 19 HB2 SER 19 27.671 27.415 22.951
135 2HB SER 19 HB1 SER 19 28.691 28.282 24.090
136 HG SER 19 HG SER 19 26.646 28.540 25.325
137 H ARG 20 HN ARG 20 28.625 31.074 21.677
138 HA ARG 20 HA ARG 20 27.461 30.361 19.097
139 1HB ARG 20 HB2 ARG 20 28.444 32.591 19.778
140 2HB ARG 20 HB1 ARG 20 30.038 31.833 19.750
141 1HG ARG 20 HG2 ARG 20 28.957 31.090 17.300
142 2HG ARG 20 HG1 ARG 20 28.368 32.739 17.511
143 1HD ARG 20 HD2 ARG 20 31.256 32.188 18.129
144 2HD ARG 20 HD1 ARG 20 30.761 32.309 16.429
145 HE ARG 20 HE ARG 20 29.769 34.439 18.233
146 1HH1 ARG 20 HH21 ARG 20 30.142 34.357 15.151
147 2HH1 ARG 20 HH22 ARG 20 31.431 35.495 14.965
148 1HH2 ARG 20 HH11 ARG 20 32.249 35.484 18.348
149 2HH2 ARG 20 HH12 ARG 20 32.637 36.142 16.795
150 H CYS 21 HN CYS 21 28.074 27.946 19.907
151 HA CYS 21 HA CYS 21 30.456 27.158 18.310
152 1HB CYS 21 HB2 CYS 21 29.947 26.224 21.150
153 2HB CYS 21 HB1 CYS 21 31.333 25.816 20.144
154 H CYS 22 HN CYS 22 28.020 26.737 17.305
155 HA CYS 22 HA CYS 22 27.679 23.839 17.276
156 1HB CYS 22 HB2 CYS 22 26.462 25.157 19.365
157 2HB CYS 22 HB1 CYS 22 25.187 25.197 18.155
Start of MODEL 6
1 1H 5HP 1 HT1 5HP 1 23.057 31.817 26.001
2 2H 5HP 1 HT2 5HP 1 23.148 30.555 27.141
3 HA 5HP 1 HA 5HP 1 25.332 31.780 26.071
4 1HB 5HP 1 HB1 5HP 1 25.314 33.883 26.997
5 2HB 5HP 1 HB2 5HP 1 25.743 33.095 28.526
6 1HG 5HP 1 HG1 5HP 1 23.293 34.399 27.846
7 2HG 5HP 1 HG2 5HP 1 23.676 33.533 29.350
8 H ARG 2 HN ARG 2 24.103 30.803 29.306
9 HA ARG 2 HA ARG 2 26.303 29.781 30.576
10 1HB ARG 2 HB2 ARG 2 24.723 28.073 31.548
11 2HB ARG 2 HB1 ARG 2 24.124 29.729 31.577
12 1HG ARG 2 HG2 ARG 2 22.574 29.332 29.863
13 2HG ARG 2 HG1 ARG 2 23.467 27.941 29.252
14 1HD ARG 2 HD2 ARG 2 21.602 26.967 30.359
15 2HD ARG 2 HD1 ARG 2 22.912 26.839 31.550
16 HE ARG 2 HE ARG 2 21.663 29.373 31.911
17 1HH1 ARG 2 HH21 ARG 2 19.258 27.604 31.395
18 2HH1 ARG 2 HH22 ARG 2 18.851 27.109 33.003
19 1HH2 ARG 2 HH11 ARG 2 21.914 28.059 34.338
20 2HH2 ARG 2 HH12 ARG 2 20.364 27.370 34.682
21 H CYS 3 HN CYS 3 24.804 28.177 27.764
22 HA CYS 3 HA CYS 3 26.554 25.809 28.124
23 1HB CYS 3 HB2 CYS 3 24.612 26.528 25.899
24 2HB CYS 3 HB1 CYS 3 25.312 24.942 26.201
25 H CYS 4 HN CYS 4 27.887 28.437 27.555
26 HA CYS 4 HA CYS 4 29.246 27.602 25.021
27 1HB CYS 4 HB2 CYS 4 27.945 30.225 25.720
28 2HB CYS 4 HB1 CYS 4 29.227 30.135 24.520
29 H ASN 5 HN ASN 5 29.934 27.670 28.017
30 HA ASN 5 HA ASN 5 32.259 29.542 27.961
31 1HB ASN 5 HB2 ASN 5 30.537 28.263 30.053
32 2HB ASN 5 HB1 ASN 5 32.193 28.673 30.480
33 1HD2 ASN 5 HD21 ASN 5 31.365 30.369 31.937
34 2HD2 ASN 5 HD22 ASN 5 30.795 31.840 31.311
35 H GLY 6 HN GLY 6 32.138 26.868 26.581
36 1HA GLY 6 HA2 GLY 6 34.771 25.941 27.295
37 2HA GLY 6 HA1 GLY 6 33.543 24.828 27.904
38 H ARG 7 HN ARG 7 34.800 23.407 26.242
39 HA ARG 7 HA ARG 7 34.153 23.906 23.409
40 1HB ARG 7 HB2 ARG 7 36.267 22.849 24.420
41 2HB ARG 7 HB1 ARG 7 35.288 21.405 24.676
42 1HG ARG 7 HG2 ARG 7 35.401 20.828 22.494
43 2HG ARG 7 HG1 ARG 7 34.967 22.455 21.970
44 1HD ARG 7 HD2 ARG 7 37.231 23.188 21.983
45 2HD ARG 7 HD1 ARG 7 37.756 21.806 22.967
46 HE ARG 7 HE ARG 7 36.542 20.828 20.548
47 1HH1 ARG 7 HH21 ARG 7 39.144 19.768 21.479
48 2HH1 ARG 7 HH22 ARG 7 40.265 20.398 20.317
49 1HH2 ARG 7 HH11 ARG 7 38.055 22.825 19.146
50 2HH2 ARG 7 HH12 ARG 7 39.637 22.141 18.979
51 H ARG 8 HN ARG 8 31.857 23.486 25.343
52 HA ARG 8 HA ARG 8 30.770 20.872 24.393
53 1HB ARG 8 HB2 ARG 8 30.097 22.819 26.623
54 2HB ARG 8 HB1 ARG 8 29.012 21.496 26.191
55 1HG ARG 8 HG2 ARG 8 30.330 19.952 27.191
56 2HG ARG 8 HG1 ARG 8 31.793 20.620 26.464
57 1HD ARG 8 HD2 ARG 8 31.726 22.471 28.185
58 2HD ARG 8 HD1 ARG 8 30.389 21.606 28.972
59 HE ARG 8 HE ARG 8 32.019 19.604 29.044
60 1HH1 ARG 8 HH21 ARG 8 32.594 21.447 31.245
61 2HH1 ARG 8 HH22 ARG 8 34.281 21.789 31.059
62 1HH2 ARG 8 HH11 ARG 8 34.396 20.668 27.765
63 2HH2 ARG 8 HH12 ARG 8 35.307 21.347 29.070
64 H GLY 9 HN GLY 9 28.938 23.830 25.204
65 1HA GLY 9 HA2 GLY 9 27.816 25.312 23.666
66 2HA GLY 9 HA1 GLY 9 28.201 24.196 22.364
67 H CYS 10 HN CYS 10 27.155 21.864 23.012
68 HA CYS 10 HA CYS 10 24.251 22.412 23.464
69 1HB CYS 10 HB2 CYS 10 25.540 20.148 21.911
70 2HB CYS 10 HB1 CYS 10 23.855 20.659 21.854
71 H SER 11 HN SER 11 24.529 22.086 25.725
72 HA SER 11 HA SER 11 25.540 19.530 26.770
73 1HB SER 11 HB2 SER 11 24.039 21.778 28.172
74 2HB SER 11 HB1 SER 11 25.114 20.592 28.913
75 HG SER 11 HG SER 11 26.573 22.076 28.573
76 H SER 12 HN SER 12 22.357 21.186 26.591
77 HA SER 12 HA SER 12 21.057 18.489 26.877
78 1HB SER 12 HB2 SER 12 19.998 21.104 28.000
79 2HB SER 12 HB1 SER 12 19.501 19.465 28.420
80 HG SER 12 HG SER 12 21.069 19.400 29.820
81 H ARG 13 HN ARG 13 18.414 20.028 26.670
82 HA ARG 13 HA ARG 13 18.423 20.330 23.704
83 1HB ARG 13 HB2 ARG 13 16.714 19.176 25.630
84 2HB ARG 13 HB1 ARG 13 15.870 20.631 25.098
85 1HG ARG 13 HG2 ARG 13 15.148 19.054 23.530
86 2HG ARG 13 HG1 ARG 13 16.502 19.808 22.690
87 1HD ARG 13 HD2 ARG 13 17.447 17.619 24.360
88 2HD ARG 13 HD1 ARG 13 16.198 17.056 23.231
89 HE ARG 13 HE ARG 13 18.399 18.788 22.186
90 1HH1 ARG 13 HH21 ARG 13 16.181 17.133 20.705
91 2HH1 ARG 13 HH22 ARG 13 17.163 15.882 20.019
92 1HH2 ARG 13 HH11 ARG 13 19.915 16.600 22.024
93 2HH2 ARG 13 HH12 ARG 13 19.289 15.574 20.780
94 H TRP 14 HN TRP 14 18.411 22.166 26.594
95 HA TRP 14 HA TRP 14 17.041 24.571 25.660
96 1HB TRP 14 HB2 TRP 14 17.123 23.838 27.991
97 2HB TRP 14 HB1 TRP 14 18.883 23.876 27.962
98 HD1 TRP 14 HD1 TRP 14 15.888 26.008 28.433
99 HE1 TRP 14 HE1 TRP 14 16.585 28.444 28.963
100 HE3 TRP 14 HE3 TRP 14 20.828 25.713 27.348
101 HZ2 TRP 14 HZ2 TRP 14 18.968 30.041 28.921
102 HZ3 TRP 14 HZ3 TRP 14 22.288 27.659 27.583
103 HH2 TRP 14 HH2 TRP 14 21.378 29.839 28.373
104 H CYS 15 HN CYS 15 20.352 23.389 25.433
105 HA CYS 15 HA CYS 15 21.368 26.130 25.130
106 1HB CYS 15 HB2 CYS 15 22.765 23.493 24.536
107 2HB CYS 15 HB1 CYS 15 23.522 25.035 24.919
108 H ARG 16 HN ARG 16 19.584 26.231 23.299
109 HA ARG 16 HA ARG 16 20.994 25.856 20.685
110 1HB ARG 16 HB2 ARG 16 18.029 25.434 21.099
111 2HB ARG 16 HB1 ARG 16 19.010 24.966 19.714
112 1HG ARG 16 HG2 ARG 16 20.291 23.431 21.360
113 2HG ARG 16 HG1 ARG 16 18.940 23.703 22.471
114 1HD ARG 16 HD2 ARG 16 18.198 21.793 21.329
115 2HD ARG 16 HD1 ARG 16 17.476 23.070 20.336
116 HE ARG 16 HE ARG 16 19.692 21.329 19.535
117 1HH1 ARG 16 HH21 ARG 16 17.377 22.869 18.030
118 2HH1 ARG 16 HH22 ARG 16 18.333 23.803 16.937
119 1HH2 ARG 16 HH11 ARG 16 21.303 23.207 18.613
120 2HH2 ARG 16 HH12 ARG 16 20.574 23.996 17.260
121 H ASP 17 HN ASP 17 18.027 27.297 22.134
122 HA ASP 17 HA ASP 17 18.280 29.660 20.342
123 1HB ASP 17 HB2 ASP 17 16.192 28.413 22.116
124 2HB ASP 17 HB1 ASP 17 16.009 30.093 21.622
125 H HIS 18 HN HIS 18 19.964 29.065 22.921
126 HA HIS 18 HA HIS 18 19.626 31.796 24.095
127 1HB HIS 18 HB2 HIS 18 20.345 29.587 25.959
128 2HB HIS 18 HB1 HIS 18 19.365 31.011 26.252
129 HD1 HIS 18 HD1 HIS 18 18.970 27.892 24.082
130 HD2 HIS 18 HD2 HIS 18 16.810 30.163 26.768
131 HE1 HIS 18 HE1 HIS 18 16.722 26.801 24.264
132 H SER 19 HN SER 19 21.692 28.926 23.667
133 HA SER 19 HA SER 19 24.076 30.575 24.360
134 1HB SER 19 HB2 SER 19 24.488 27.738 23.731
135 2HB SER 19 HB1 SER 19 24.953 28.638 25.172
136 HG SER 19 HG SER 19 22.626 28.502 25.734
137 H ARG 20 HN ARG 20 25.192 31.430 22.611
138 HA ARG 20 HA ARG 20 24.524 30.784 19.867
139 1HB ARG 20 HB2 ARG 20 25.947 32.732 21.354
140 2HB ARG 20 HB1 ARG 20 27.110 32.045 20.221
141 1HG ARG 20 HG2 ARG 20 25.299 32.368 18.422
142 2HG ARG 20 HG1 ARG 20 24.473 33.384 19.605
143 1HD ARG 20 HD2 ARG 20 25.801 34.906 18.337
144 2HD ARG 20 HD1 ARG 20 26.745 34.636 19.817
145 HE ARG 20 HE ARG 20 27.963 32.817 18.472
146 1HH1 ARG 20 HH11 ARG 20 26.137 33.216 16.052
147 2HH1 ARG 20 HH12 ARG 20 27.154 34.155 15.014
148 1HH2 ARG 20 HH21 ARG 20 29.367 35.036 17.561
149 2HH2 ARG 20 HH22 ARG 20 29.003 35.198 15.879
150 H CYS 21 HN CYS 21 25.071 28.305 20.819
151 HA CYS 21 HA CYS 21 27.585 27.560 19.409
152 1HB CYS 21 HB2 CYS 21 26.899 26.632 22.217
153 2HB CYS 21 HB1 CYS 21 28.375 26.286 21.323
154 H CYS 22 HN CYS 22 24.613 27.189 18.935
155 HA CYS 22 HA CYS 22 24.673 24.366 18.204
156 1HB CYS 22 HB2 CYS 22 24.075 24.842 20.834
157 2HB CYS 22 HB1 CYS 22 22.472 24.892 20.115
Start of MODEL 7
1 1H 5HP 1 HT1 5HP 1 21.260 34.942 27.068
2 2H 5HP 1 HT2 5HP 1 22.666 35.651 27.712
3 HA 5HP 1 HA 5HP 1 22.443 33.290 26.093
4 1HB 5HP 1 HB1 5HP 1 23.280 34.059 24.116
5 2HB 5HP 1 HB2 5HP 1 24.644 34.805 24.963
6 1HG 5HP 1 HG1 5HP 1 22.308 36.079 23.861
7 2HG 5HP 1 HG2 5HP 1 23.695 36.836 24.672
8 H ARG 2 HN ARG 2 23.986 31.884 26.947
9 HA ARG 2 HA ARG 2 26.240 33.071 28.512
10 1HB ARG 2 HB2 ARG 2 25.679 31.075 30.137
11 2HB ARG 2 HB1 ARG 2 24.760 32.574 30.239
12 1HG ARG 2 HG2 ARG 2 22.864 31.638 29.267
13 2HG ARG 2 HG1 ARG 2 23.783 30.400 28.416
14 1HD ARG 2 HD2 ARG 2 22.808 29.134 30.125
15 2HD ARG 2 HD1 ARG 2 24.349 29.580 30.887
16 HE ARG 2 HE ARG 2 21.824 31.162 31.298
17 1HH1 ARG 2 HH21 ARG 2 24.357 32.404 32.251
18 2HH1 ARG 2 HH22 ARG 2 24.433 31.886 33.900
19 1HH2 ARG 2 HH11 ARG 2 22.102 29.340 33.472
20 2HH2 ARG 2 HH12 ARG 2 23.143 30.141 34.602
21 H CYS 3 HN CYS 3 24.947 30.023 27.071
22 HA CYS 3 HA CYS 3 27.533 28.688 27.195
23 1HB CYS 3 HB2 CYS 3 25.144 28.023 25.463
24 2HB CYS 3 HB1 CYS 3 26.379 26.919 26.054
25 H CYS 4 HN CYS 4 28.107 31.091 25.926
26 HA CYS 4 HA CYS 4 28.922 30.124 23.239
27 1HB CYS 4 HB2 CYS 4 26.937 32.279 23.833
28 2HB CYS 4 HB1 CYS 4 28.045 32.532 22.489
29 H ASN 5 HN ASN 5 30.126 31.076 25.928
30 HA ASN 5 HA ASN 5 31.967 33.143 24.771
31 1HB ASN 5 HB2 ASN 5 30.236 33.232 27.003
32 2HB ASN 5 HB1 ASN 5 31.860 33.075 27.667
33 1HD2 ASN 5 HD21 ASN 5 30.190 34.958 25.065
34 2HD2 ASN 5 HD22 ASN 5 31.050 36.388 25.364
35 H GLY 6 HN GLY 6 32.254 30.245 24.634
36 1HA GLY 6 HA2 GLY 6 34.830 29.993 26.099
37 2HA GLY 6 HA1 GLY 6 33.634 28.708 26.289
38 H ARG 7 HN ARG 7 34.259 26.997 25.052
39 HA ARG 7 HA ARG 7 35.514 27.541 22.385
40 1HB ARG 7 HB2 ARG 7 35.443 25.042 24.120
41 2HB ARG 7 HB1 ARG 7 36.393 25.249 22.648
42 1HG ARG 7 HG2 ARG 7 37.352 27.360 23.885
43 2HG ARG 7 HG1 ARG 7 36.775 26.545 25.339
44 1HD ARG 7 HD2 ARG 7 38.359 24.903 23.398
45 2HD ARG 7 HD1 ARG 7 39.240 26.090 24.383
46 HE ARG 7 HE ARG 7 37.407 24.042 25.599
47 1HH1 ARG 7 HH21 ARG 7 40.319 23.371 25.416
48 2HH1 ARG 7 HH22 ARG 7 40.917 23.898 26.952
49 1HH2 ARG 7 HH11 ARG 7 38.138 25.888 27.626
50 2HH2 ARG 7 HH12 ARG 7 39.669 25.339 28.217
51 H ARG 8 HN ARG 8 33.294 25.092 23.831
52 HA ARG 8 HA ARG 8 32.061 24.692 21.156
53 1HB ARG 8 HB2 ARG 8 31.935 23.285 23.841
54 2HB ARG 8 HB1 ARG 8 30.871 22.842 22.504
55 1HG ARG 8 HG2 ARG 8 32.986 22.605 21.080
56 2HG ARG 8 HG1 ARG 8 33.897 22.708 22.586
57 1HD ARG 8 HD2 ARG 8 33.495 20.512 22.996
58 2HD ARG 8 HD1 ARG 8 31.747 20.807 22.924
59 HE ARG 8 HE ARG 8 32.275 20.797 20.297
60 1HH1 ARG 8 HH21 ARG 8 31.255 18.263 21.326
61 2HH1 ARG 8 HH22 ARG 8 32.516 17.133 20.961
62 1HH2 ARG 8 HH11 ARG 8 34.926 19.591 20.463
63 2HH2 ARG 8 HH12 ARG 8 34.605 17.889 20.471
64 H GLY 9 HN GLY 9 30.860 25.246 24.506
65 1HA GLY 9 HA2 GLY 9 29.247 26.956 25.083
66 2HA GLY 9 HA1 GLY 9 28.776 27.041 23.387
67 H CYS 10 HN CYS 10 29.136 23.958 25.044
68 HA CYS 10 HA CYS 10 26.151 23.664 25.109
69 1HB CYS 10 HB2 CYS 10 28.214 21.581 24.309
70 2HB CYS 10 HB1 CYS 10 26.464 21.428 24.182
71 H SER 11 HN SER 11 26.431 24.201 27.396
72 HA SER 11 HA SER 11 28.049 22.442 29.106
73 1HB SER 11 HB2 SER 11 26.114 24.721 29.649
74 2HB SER 11 HB1 SER 11 27.185 23.993 30.850
75 HG SER 11 HG SER 11 28.519 25.475 30.128
76 H SER 12 HN SER 12 24.636 22.822 28.207
77 HA SER 12 HA SER 12 24.045 20.264 29.608
78 1HB SER 12 HB2 SER 12 23.689 22.155 31.207
79 2HB SER 12 HB1 SER 12 22.590 22.898 30.069
80 HG SER 12 HG SER 12 21.919 21.240 31.917
81 H ARG 13 HN ARG 13 21.110 20.967 29.307
82 HA ARG 13 HA ARG 13 20.884 20.406 26.385
83 1HB ARG 13 HB2 ARG 13 19.204 20.010 28.848
84 2HB ARG 13 HB1 ARG 13 18.409 20.052 27.274
85 1HG ARG 13 HG2 ARG 13 20.627 18.173 28.142
86 2HG ARG 13 HG1 ARG 13 18.954 17.742 27.781
87 1HD ARG 13 HD2 ARG 13 19.498 18.855 25.435
88 2HD ARG 13 HD1 ARG 13 21.171 18.474 25.896
89 HE ARG 13 HE ARG 13 18.995 16.479 25.500
90 1HH1 ARG 13 HH21 ARG 13 20.954 15.957 27.843
91 2HH1 ARG 13 HH22 ARG 13 22.117 14.935 27.069
92 1HH2 ARG 13 HH11 ARG 13 21.021 15.691 23.857
93 2HH2 ARG 13 HH12 ARG 13 22.153 14.783 24.801
94 H TRP 14 HN TRP 14 20.711 22.998 28.543
95 HA TRP 14 HA TRP 14 18.583 24.532 27.229
96 1HB TRP 14 HB2 TRP 14 19.091 24.747 29.625
97 2HB TRP 14 HB1 TRP 14 20.751 25.198 29.244
98 HD1 TRP 14 HD1 TRP 14 17.291 26.544 29.482
99 HE1 TRP 14 HE1 TRP 14 17.294 29.083 29.003
100 HE3 TRP 14 HE3 TRP 14 22.027 27.065 27.722
101 HZ2 TRP 14 HZ2 TRP 14 19.107 31.062 27.978
102 HZ3 TRP 14 HZ3 TRP 14 22.879 29.246 27.004
103 HH2 TRP 14 HH2 TRP 14 21.434 31.268 27.123
104 H CYS 15 HN CYS 15 22.050 24.109 26.820
105 HA CYS 15 HA CYS 15 22.258 26.682 25.404
106 1HB CYS 15 HB2 CYS 15 24.260 24.395 25.458
107 2HB CYS 15 HB1 CYS 15 24.596 26.108 25.235
108 H ARG 16 HN ARG 16 20.308 25.527 24.050
109 HA ARG 16 HA ARG 16 21.561 24.569 21.498
110 1HB ARG 16 HB2 ARG 16 18.875 23.548 22.432
111 2HB ARG 16 HB1 ARG 16 20.020 22.808 21.319
112 1HG ARG 16 HG2 ARG 16 21.560 22.356 23.215
113 2HG ARG 16 HG1 ARG 16 20.375 23.059 24.325
114 1HD ARG 16 HD2 ARG 16 19.533 20.934 24.481
115 2HD ARG 16 HD1 ARG 16 18.851 21.239 22.875
116 HE ARG 16 HE ARG 16 21.127 19.509 23.428
117 1HH1 ARG 16 HH21 ARG 16 19.163 19.260 21.140
118 2HH1 ARG 16 HH22 ARG 16 20.152 19.625 19.766
119 1HH2 ARG 16 HH11 ARG 16 22.691 21.074 21.667
120 2HH2 ARG 16 HH12 ARG 16 22.162 20.662 20.070
121 H ASP 17 HN ASP 17 18.360 25.533 22.835
122 HA ASP 17 HA ASP 17 17.675 26.982 20.351
123 1HB ASP 17 HB2 ASP 17 16.358 25.893 22.750
124 2HB ASP 17 HB1 ASP 17 15.677 27.421 22.202
125 H HIS 18 HN HIS 18 19.774 28.001 22.471
126 HA HIS 18 HA HIS 18 18.693 30.784 22.556
127 1HB HIS 18 HB2 HIS 18 20.241 29.861 24.930
128 2HB HIS 18 HB1 HIS 18 18.884 30.971 24.845
129 HD1 HIS 18 HD1 HIS 18 19.308 27.242 24.158
130 HD2 HIS 18 HD2 HIS 18 16.822 29.796 26.239
131 HE1 HIS 18 HE1 HIS 18 17.596 25.794 25.261
132 H SER 19 HN SER 19 21.578 28.770 23.345
133 HA SER 19 HA SER 19 23.343 31.012 22.602
134 1HB SER 19 HB2 SER 19 24.593 28.419 23.125
135 2HB SER 19 HB1 SER 19 24.806 29.945 23.962
136 HG SER 19 HG SER 19 22.745 29.478 25.012
137 H ARG 20 HN ARG 20 23.277 31.241 20.330
138 HA ARG 20 HA ARG 20 23.177 29.010 18.495
139 1HB ARG 20 HB2 ARG 20 22.951 31.800 18.431
140 2HB ARG 20 HB1 ARG 20 24.386 31.464 17.463
141 1HG ARG 20 HG2 ARG 20 23.121 30.712 15.764
142 2HG ARG 20 HG1 ARG 20 22.322 29.549 16.821
143 1HD ARG 20 HD2 ARG 20 21.461 32.385 17.140
144 2HD ARG 20 HD1 ARG 20 20.989 31.586 15.626
145 HE ARG 20 HE ARG 20 20.520 30.152 18.206
146 1HH1 ARG 20 HH21 ARG 20 18.438 32.195 17.943
147 2HH1 ARG 20 HH22 ARG 20 17.226 31.417 16.981
148 1HH2 ARG 20 HH11 ARG 20 19.373 28.933 15.823
149 2HH2 ARG 20 HH12 ARG 20 17.764 29.566 15.767
150 H CYS 21 HN CYS 21 24.938 27.824 19.710
151 HA CYS 21 HA CYS 21 27.587 28.331 18.426
152 1HB CYS 21 HB2 CYS 21 26.957 27.956 21.366
153 2HB CYS 21 HB1 CYS 21 28.583 27.770 20.711
154 H CYS 22 HN CYS 22 25.557 26.111 20.349
155 HA CYS 22 HA CYS 22 27.084 23.721 19.929
156 1HB CYS 22 HB2 CYS 22 24.861 24.535 21.364
157 2HB CYS 22 HB1 CYS 22 24.146 23.484 20.147
Start of MODEL 8
1 1H 5HP 1 HT1 5HP 1 30.666 28.675 31.591
2 2H 5HP 1 HT2 5HP 1 30.066 27.082 31.652
3 HA 5HP 1 HA 5HP 1 30.708 28.524 29.349
4 1HB 5HP 1 HB1 5HP 1 32.924 28.082 29.031
5 2HB 5HP 1 HB2 5HP 1 32.538 26.354 28.970
6 1HG 5HP 1 HG1 5HP 1 33.879 27.805 31.055
7 2HG 5HP 1 HG2 5HP 1 33.484 26.073 31.005
8 H ARG 2 HN ARG 2 30.323 26.968 27.385
9 HA ARG 2 HA ARG 2 29.087 24.401 28.115
10 1HB ARG 2 HB2 ARG 2 27.561 26.641 28.236
11 2HB ARG 2 HB1 ARG 2 27.327 26.212 26.542
12 1HG ARG 2 HG2 ARG 2 26.039 24.427 27.077
13 2HG ARG 2 HG1 ARG 2 27.178 23.885 28.312
14 1HD ARG 2 HD2 ARG 2 26.278 25.583 29.885
15 2HD ARG 2 HD1 ARG 2 25.109 26.084 28.647
16 HE ARG 2 HE ARG 2 24.650 23.396 28.749
17 1HH1 ARG 2 HH11 ARG 2 23.171 25.767 30.237
18 2HH1 ARG 2 HH12 ARG 2 22.932 25.020 31.779
19 1HH2 ARG 2 HH21 ARG 2 25.159 22.430 31.149
20 2HH2 ARG 2 HH22 ARG 2 24.060 23.118 32.295
21 H CYS 3 HN CYS 3 27.575 24.732 25.434
22 HA CYS 3 HA CYS 3 29.680 23.539 23.783
23 1HB CYS 3 HB2 CYS 3 26.834 24.249 23.049
24 2HB CYS 3 HB1 CYS 3 27.845 22.994 22.339
25 H CYS 4 HN CYS 4 30.296 26.314 24.249
26 HA CYS 4 HA CYS 4 30.314 27.242 21.424
27 1HB CYS 4 HB2 CYS 4 28.873 28.519 23.700
28 2HB CYS 4 HB1 CYS 4 29.687 29.577 22.558
29 H ASN 5 HN ASN 5 32.212 26.395 23.738
30 HA ASN 5 HA ASN 5 34.186 28.591 23.290
31 1HB ASN 5 HB2 ASN 5 32.773 28.122 25.666
32 2HB ASN 5 HB1 ASN 5 34.346 27.376 25.940
33 1HD2 ASN 5 HD21 ASN 5 33.263 29.911 27.127
34 2HD2 ASN 5 HD22 ASN 5 34.372 31.121 26.698
35 H GLY 6 HN GLY 6 33.753 25.937 22.125
36 1HA GLY 6 HA2 GLY 6 36.449 24.898 22.337
37 2HA GLY 6 HA1 GLY 6 35.298 23.838 23.149
38 H ARG 7 HN ARG 7 35.538 22.146 21.606
39 HA ARG 7 HA ARG 7 34.668 22.787 18.811
40 1HB ARG 7 HB2 ARG 7 36.365 20.622 20.070
41 2HB ARG 7 HB1 ARG 7 35.779 20.507 18.410
42 1HG ARG 7 HG2 ARG 7 37.173 22.156 17.652
43 2HG ARG 7 HG1 ARG 7 37.062 23.086 19.148
44 1HD ARG 7 HD2 ARG 7 38.773 21.884 20.182
45 2HD ARG 7 HD1 ARG 7 38.496 20.438 19.183
46 HE ARG 7 HE ARG 7 39.535 21.626 17.282
47 1HH1 ARG 7 HH21 ARG 7 39.189 24.480 18.012
48 2HH1 ARG 7 HH22 ARG 7 40.737 24.923 18.647
49 1HH2 ARG 7 HH11 ARG 7 41.752 21.610 19.130
50 2HH2 ARG 7 HH12 ARG 7 42.215 23.273 19.285
51 H ARG 8 HN ARG 8 32.764 22.309 21.110
52 HA ARG 8 HA ARG 8 31.588 19.669 20.341
53 1HB ARG 8 HB2 ARG 8 31.903 21.143 22.755
54 2HB ARG 8 HB1 ARG 8 30.171 21.052 22.433
55 1HG ARG 8 HG2 ARG 8 30.788 19.097 23.718
56 2HG ARG 8 HG1 ARG 8 30.447 18.568 22.069
57 1HD ARG 8 HD2 ARG 8 32.966 18.771 21.613
58 2HD ARG 8 HD1 ARG 8 33.169 18.947 23.367
59 HE ARG 8 HE ARG 8 31.928 16.734 23.569
60 1HH1 ARG 8 HH21 ARG 8 31.179 16.298 20.748
61 2HH1 ARG 8 HH22 ARG 8 32.458 15.290 20.166
62 1HH2 ARG 8 HH11 ARG 8 34.579 16.032 22.804
63 2HH2 ARG 8 HH12 ARG 8 34.394 15.130 21.339
64 H GLY 9 HN GLY 9 30.352 22.991 21.000
65 1HA GLY 9 HA2 GLY 9 28.794 24.263 19.789
66 2HA GLY 9 HA1 GLY 9 28.841 23.037 18.520
67 H CYS 10 HN CYS 10 27.895 20.802 19.513
68 HA CYS 10 HA CYS 10 25.347 21.460 20.947
69 1HB CYS 10 HB2 CYS 10 25.832 20.478 18.260
70 2HB CYS 10 HB1 CYS 10 24.836 19.353 19.167
71 H SER 11 HN SER 11 26.194 20.603 22.814
72 HA SER 11 HA SER 11 27.336 17.891 22.943
73 1HB SER 11 HB2 SER 11 28.129 19.853 24.278
74 2HB SER 11 HB1 SER 11 26.572 19.909 25.094
75 HG SER 11 HG SER 11 28.115 17.530 25.032
76 H SER 12 HN SER 12 24.286 19.515 23.791
77 HA SER 12 HA SER 12 23.018 16.829 24.112
78 1HB SER 12 HB2 SER 12 23.739 17.659 26.328
79 2HB SER 12 HB1 SER 12 22.919 19.178 26.046
80 HG SER 12 HG SER 12 21.928 16.835 26.954
81 H ARG 13 HN ARG 13 20.616 18.355 25.167
82 HA ARG 13 HA ARG 13 19.576 19.296 22.532
83 1HB ARG 13 HB2 ARG 13 18.406 18.390 25.165
84 2HB ARG 13 HB1 ARG 13 17.406 19.232 23.983
85 1HG ARG 13 HG2 ARG 13 19.021 17.059 22.817
86 2HG ARG 13 HG1 ARG 13 17.850 16.510 24.017
87 1HD ARG 13 HD2 ARG 13 16.400 16.547 22.233
88 2HD ARG 13 HD1 ARG 13 16.314 18.284 22.589
89 HE ARG 13 HE ARG 13 18.121 18.619 20.891
90 1HH1 ARG 13 HH11 ARG 13 15.839 17.557 19.345
91 2HH1 ARG 13 HH12 ARG 13 16.559 16.248 18.469
92 1HH2 ARG 13 HH21 ARG 13 19.356 16.079 20.527
93 2HH2 ARG 13 HH22 ARG 13 18.548 15.394 19.161
94 H TRP 14 HN TRP 14 20.700 20.511 25.558
95 HA TRP 14 HA TRP 14 19.176 23.017 25.557
96 1HB TRP 14 HB2 TRP 14 20.002 21.928 27.591
97 2HB TRP 14 HB1 TRP 14 21.657 22.048 26.995
98 HD1 TRP 14 HD1 TRP 14 18.968 24.021 28.690
99 HE1 TRP 14 HE1 TRP 14 19.839 26.383 29.262
100 HE3 TRP 14 HE3 TRP 14 23.319 23.997 26.067
101 HZ2 TRP 14 HZ2 TRP 14 22.092 28.049 28.643
102 HZ3 TRP 14 HZ3 TRP 14 24.806 25.945 26.060
103 HH2 TRP 14 HH2 TRP 14 24.212 27.991 27.346
104 H CYS 15 HN CYS 15 22.234 21.937 24.115
105 HA CYS 15 HA CYS 15 23.153 24.727 23.862
106 1HB CYS 15 HB2 CYS 15 24.171 22.064 22.800
107 2HB CYS 15 HB1 CYS 15 25.008 23.594 22.533
108 H ARG 16 HN ARG 16 20.814 24.915 22.684
109 HA ARG 16 HA ARG 16 21.425 25.024 19.757
110 1HB ARG 16 HB2 ARG 16 18.638 24.387 20.684
111 2HB ARG 16 HB1 ARG 16 19.445 23.945 19.184
112 1HG ARG 16 HG2 ARG 16 20.837 22.299 20.437
113 2HG ARG 16 HG1 ARG 16 19.970 22.712 21.920
114 1HD ARG 16 HD2 ARG 16 18.971 20.684 20.934
115 2HD ARG 16 HD1 ARG 16 17.810 22.018 20.774
116 HE ARG 16 HE ARG 16 19.685 21.267 18.548
117 1HH1 ARG 16 HH21 ARG 16 17.391 23.533 19.097
118 2HH1 ARG 16 HH22 ARG 16 16.296 23.046 17.851
119 1HH2 ARG 16 HH11 ARG 16 17.964 20.052 17.215
120 2HH2 ARG 16 HH12 ARG 16 16.625 21.052 16.770
121 H ASP 17 HN ASP 17 18.923 25.951 22.155
122 HA ASP 17 HA ASP 17 18.378 28.480 20.724
123 1HB ASP 17 HB2 ASP 17 17.309 27.086 23.196
124 2HB ASP 17 HB1 ASP 17 16.697 28.639 22.645
125 H HIS 18 HN HIS 18 20.962 27.816 22.449
126 HA HIS 18 HA HIS 18 20.979 30.440 23.874
127 1HB HIS 18 HB2 HIS 18 22.352 28.173 25.237
128 2HB HIS 18 HB1 HIS 18 21.465 29.513 25.940
129 HD1 HIS 18 HD1 HIS 18 20.480 26.527 23.773
130 HD2 HIS 18 HD2 HIS 18 19.303 28.398 27.259
131 HE1 HIS 18 HE1 HIS 18 18.478 25.267 24.598
132 H SER 19 HN SER 19 22.966 27.562 23.053
133 HA SER 19 HA SER 19 25.381 29.233 22.765
134 1HB SER 19 HB2 SER 19 25.387 26.369 21.994
135 2HB SER 19 HB1 SER 19 26.490 27.253 23.028
136 HG SER 19 HG SER 19 24.752 27.264 24.609
137 H ARG 20 HN ARG 20 25.205 30.439 20.849
138 HA ARG 20 HA ARG 20 24.026 29.380 18.415
139 1HB ARG 20 HB2 ARG 20 25.774 31.768 19.090
140 2HB ARG 20 HB1 ARG 20 25.105 31.495 17.479
141 1HG ARG 20 HG2 ARG 20 22.869 31.729 18.236
142 2HG ARG 20 HG1 ARG 20 23.329 31.506 19.925
143 1HD ARG 20 HD2 ARG 20 24.670 33.689 19.726
144 2HD ARG 20 HD1 ARG 20 23.851 33.927 18.168
145 HE ARG 20 HE ARG 20 22.312 33.526 20.718
146 1HH1 ARG 20 HH21 ARG 20 22.937 36.334 19.905
147 2HH1 ARG 20 HH22 ARG 20 21.524 36.779 19.012
148 1HH2 ARG 20 HH11 ARG 20 20.477 33.487 18.565
149 2HH2 ARG 20 HH12 ARG 20 20.120 35.149 18.232
150 H CYS 21 HN CYS 21 25.636 27.341 18.884
151 HA CYS 21 HA CYS 21 27.886 27.658 16.941
152 1HB CYS 21 HB2 CYS 21 28.116 26.247 19.617
153 2HB CYS 21 HB1 CYS 21 29.419 26.594 18.483
154 H CYS 22 HN CYS 22 25.306 26.402 16.513
155 HA CYS 22 HA CYS 22 26.168 23.535 16.282
156 1HB CYS 22 HB2 CYS 22 24.421 24.158 18.111
157 2HB CYS 22 HB1 CYS 22 23.325 24.438 16.764
Start of MODEL 9
1 1H 5HP 1 HT1 5HP 1 27.194 32.419 27.712
2 2H 5HP 1 HT2 5HP 1 28.344 31.162 27.653
3 HA 5HP 1 HA 5HP 1 27.293 32.079 29.955
4 1HB 5HP 1 HB1 5HP 1 25.075 31.477 29.840
5 2HB 5HP 1 HB2 5HP 1 25.640 29.829 30.161
6 1HG 5HP 1 HG1 5HP 1 24.428 30.814 27.774
7 2HG 5HP 1 HG2 5HP 1 25.155 29.209 28.025
8 H ARG 2 HN ARG 2 26.953 28.605 29.361
9 HA ARG 2 HA ARG 2 29.659 28.179 30.573
10 1HB ARG 2 HB2 ARG 2 28.599 26.129 31.600
11 2HB ARG 2 HB1 ARG 2 27.939 27.652 32.188
12 1HG ARG 2 HG2 ARG 2 25.879 27.254 31.279
13 2HG ARG 2 HG1 ARG 2 26.552 26.533 29.820
14 1HD ARG 2 HD2 ARG 2 25.441 24.743 30.963
15 2HD ARG 2 HD1 ARG 2 27.169 24.507 31.301
16 HE ARG 2 HE ARG 2 25.462 26.067 33.210
17 1HH1 ARG 2 HH21 ARG 2 25.189 23.192 33.730
18 2HH1 ARG 2 HH22 ARG 2 26.504 22.851 34.804
19 1HH2 ARG 2 HH11 ARG 2 28.219 25.777 34.036
20 2HH2 ARG 2 HH12 ARG 2 28.233 24.322 34.972
21 H CYS 3 HN CYS 3 27.282 27.042 28.154
22 HA CYS 3 HA CYS 3 29.143 24.909 27.255
23 1HB CYS 3 HB2 CYS 3 26.375 25.819 26.423
24 2HB CYS 3 HB1 CYS 3 27.227 24.487 25.649
25 H CYS 4 HN CYS 4 30.032 27.721 26.895
26 HA CYS 4 HA CYS 4 30.393 27.608 23.938
27 1HB CYS 4 HB2 CYS 4 29.084 29.767 25.562
28 2HB CYS 4 HB1 CYS 4 29.945 30.186 24.088
29 H ASN 5 HN ASN 5 32.077 27.330 26.500
30 HA ASN 5 HA ASN 5 34.171 29.344 25.748
31 1HB ASN 5 HB2 ASN 5 32.776 28.861 28.223
32 2HB ASN 5 HB1 ASN 5 34.487 28.499 28.448
33 1HD2 ASN 5 HD21 ASN 5 36.003 30.271 28.355
34 2HD2 ASN 5 HD22 ASN 5 35.504 31.886 28.199
35 H GLY 6 HN GLY 6 33.811 26.628 24.725
36 1HA GLY 6 HA2 GLY 6 36.465 25.547 25.445
37 2HA GLY 6 HA1 GLY 6 35.093 24.475 25.737
38 H ARG 7 HN ARG 7 35.667 22.965 24.098
39 HA ARG 7 HA ARG 7 35.521 24.018 21.287
40 1HB ARG 7 HB2 ARG 7 37.228 21.985 22.675
41 2HB ARG 7 HB1 ARG 7 36.858 21.739 20.969
42 1HG ARG 7 HG2 ARG 7 38.000 23.641 20.298
43 2HG ARG 7 HG1 ARG 7 37.766 24.457 21.844
44 1HD ARG 7 HD2 ARG 7 39.514 21.989 21.603
45 2HD ARG 7 HD1 ARG 7 40.155 23.627 21.360
46 HE ARG 7 HE ARG 7 39.024 24.088 23.686
47 1HH1 ARG 7 HH11 ARG 7 41.801 22.956 23.765
48 2HH1 ARG 7 HH12 ARG 7 41.622 21.630 24.862
49 1HH2 ARG 7 HH21 ARG 7 38.156 21.554 24.589
50 2HH2 ARG 7 HH22 ARG 7 39.541 20.826 25.328
51 H ARG 8 HN ARG 8 33.254 23.056 23.020
52 HA ARG 8 HA ARG 8 32.383 20.767 21.286
53 1HB ARG 8 HB2 ARG 8 32.849 20.790 24.043
54 2HB ARG 8 HB1 ARG 8 31.099 20.951 23.910
55 1HG ARG 8 HG2 ARG 8 31.526 18.601 23.942
56 2HG ARG 8 HG1 ARG 8 31.174 18.999 22.261
57 1HD ARG 8 HD2 ARG 8 33.792 19.319 22.080
58 2HD ARG 8 HD1 ARG 8 33.815 18.278 23.519
59 HE ARG 8 HE ARG 8 32.443 17.497 20.961
60 1HH1 ARG 8 HH11 ARG 8 31.719 15.798 23.226
61 2HH1 ARG 8 HH12 ARG 8 32.915 14.546 23.206
62 1HH2 ARG 8 HH21 ARG 8 35.095 16.342 21.176
63 2HH2 ARG 8 HH22 ARG 8 34.844 14.857 22.028
64 H GLY 9 HN GLY 9 31.052 23.280 23.501
65 1HA GLY 9 HA2 GLY 9 29.372 24.884 23.037
66 2HA GLY 9 HA1 GLY 9 29.302 24.285 21.382
67 H CYS 10 HN CYS 10 28.553 21.752 21.516
68 HA CYS 10 HA CYS 10 25.939 21.818 22.950
69 1HB CYS 10 HB2 CYS 10 26.604 21.402 20.310
70 2HB CYS 10 HB1 CYS 10 26.395 19.759 20.906
71 H SER 11 HN SER 11 26.963 21.164 24.863
72 HA SER 11 HA SER 11 28.399 18.612 25.071
73 1HB SER 11 HB2 SER 11 27.285 20.429 27.239
74 2HB SER 11 HB1 SER 11 28.630 19.298 27.384
75 HG SER 11 HG SER 11 29.885 20.806 26.623
76 H SER 12 HN SER 12 25.138 19.836 25.787
77 HA SER 12 HA SER 12 24.211 17.018 26.107
78 1HB SER 12 HB2 SER 12 23.453 19.253 28.019
79 2HB SER 12 HB1 SER 12 23.191 17.521 28.224
80 HG SER 12 HG SER 12 25.257 17.261 28.766
81 H ARG 13 HN ARG 13 21.566 18.228 27.056
82 HA ARG 13 HA ARG 13 20.609 19.124 24.370
83 1HB ARG 13 HB2 ARG 13 19.564 17.578 26.648
84 2HB ARG 13 HB1 ARG 13 18.417 18.771 26.041
85 1HG ARG 13 HG2 ARG 13 19.867 17.102 24.026
86 2HG ARG 13 HG1 ARG 13 18.592 16.326 24.966
87 1HD ARG 13 HD2 ARG 13 16.953 17.954 24.231
88 2HD ARG 13 HD1 ARG 13 18.206 18.933 23.445
89 HE ARG 13 HE ARG 13 18.570 16.485 22.254
90 1HH1 ARG 13 HH21 ARG 13 15.605 16.191 23.134
91 2HH1 ARG 13 HH22 ARG 13 14.808 16.602 21.654
92 1HH2 ARG 13 HH11 ARG 13 17.658 17.982 20.205
93 2HH2 ARG 13 HH12 ARG 13 15.980 17.622 19.980
94 H TRP 14 HN TRP 14 21.590 20.416 27.314
95 HA TRP 14 HA TRP 14 19.670 22.658 27.439
96 1HB TRP 14 HB2 TRP 14 20.525 21.575 29.468
97 2HB TRP 14 HB1 TRP 14 22.183 21.848 28.944
98 HD1 TRP 14 HD1 TRP 14 19.359 23.442 30.712
99 HE1 TRP 14 HE1 TRP 14 20.009 25.817 31.482
100 HE3 TRP 14 HE3 TRP 14 23.669 24.036 28.109
101 HZ2 TRP 14 HZ2 TRP 14 22.121 27.710 31.037
102 HZ3 TRP 14 HZ3 TRP 14 24.980 26.092 28.277
103 HH2 TRP 14 HH2 TRP 14 24.210 27.965 29.737
104 H CYS 15 HN CYS 15 22.862 22.019 26.092
105 HA CYS 15 HA CYS 15 23.484 24.896 25.994
106 1HB CYS 15 HB2 CYS 15 24.936 22.648 24.572
107 2HB CYS 15 HB1 CYS 15 25.598 24.177 25.133
108 H ARG 16 HN ARG 16 21.258 24.972 24.714
109 HA ARG 16 HA ARG 16 21.973 25.451 21.876
110 1HB ARG 16 HB2 ARG 16 19.621 24.221 21.422
111 2HB ARG 16 HB1 ARG 16 21.154 23.356 21.388
112 1HG ARG 16 HG2 ARG 16 20.587 22.105 23.185
113 2HG ARG 16 HG1 ARG 16 20.069 23.520 24.101
114 1HD ARG 16 HD2 ARG 16 18.100 22.176 23.806
115 2HD ARG 16 HD1 ARG 16 17.947 23.506 22.643
116 HE ARG 16 HE ARG 16 18.662 20.698 21.981
117 1HH1 ARG 16 HH21 ARG 16 16.652 23.009 20.941
118 2HH1 ARG 16 HH22 ARG 16 17.203 23.106 19.304
119 1HH2 ARG 16 HH11 ARG 16 20.078 21.238 19.903
120 2HH2 ARG 16 HH12 ARG 16 19.155 22.091 18.712
121 H ASP 17 HN ASP 17 19.294 25.441 24.276
122 HA ASP 17 HA ASP 17 18.048 27.811 23.007
123 1HB ASP 17 HB2 ASP 17 17.458 25.958 25.326
124 2HB ASP 17 HB1 ASP 17 16.517 27.424 25.074
125 H HIS 18 HN HIS 18 20.780 27.718 24.617
126 HA HIS 18 HA HIS 18 20.302 30.245 26.111
127 1HB HIS 18 HB2 HIS 18 22.057 28.282 27.485
128 2HB HIS 18 HB1 HIS 18 20.920 29.420 28.175
129 HD1 HIS 18 HD1 HIS 18 20.435 26.341 25.957
130 HD2 HIS 18 HD2 HIS 18 19.158 27.870 29.569
131 HE1 HIS 18 HE1 HIS 18 18.783 24.696 26.874
132 H SER 19 HN SER 19 22.759 27.753 25.376
133 HA SER 19 HA SER 19 24.855 29.809 25.123
134 1HB SER 19 HB2 SER 19 25.576 27.108 24.325
135 2HB SER 19 HB1 SER 19 26.210 28.080 25.643
136 HG SER 19 HG SER 19 24.300 27.468 26.835
137 H ARG 20 HN ARG 20 25.113 30.832 23.162
138 HA ARG 20 HA ARG 20 23.891 29.887 20.706
139 1HB ARG 20 HB2 ARG 20 25.308 32.196 21.751
140 2HB ARG 20 HB1 ARG 20 25.933 31.780 20.158
141 1HG ARG 20 HG2 ARG 20 22.974 31.740 20.472
142 2HG ARG 20 HG1 ARG 20 23.751 33.324 20.502
143 1HD ARG 20 HD2 ARG 20 24.892 32.787 18.346
144 2HD ARG 20 HD1 ARG 20 24.024 31.238 18.301
145 HE ARG 20 HE ARG 20 21.944 32.933 18.645
146 1HH1 ARG 20 HH21 ARG 20 23.688 35.202 17.715
147 2HH1 ARG 20 HH22 ARG 20 23.374 35.224 16.013
148 1HH2 ARG 20 HH11 ARG 20 21.980 32.028 15.980
149 2HH2 ARG 20 HH12 ARG 20 22.395 33.409 15.018
150 H CYS 21 HN CYS 21 25.124 27.656 21.191
151 HA CYS 21 HA CYS 21 27.540 27.625 19.421
152 1HB CYS 21 HB2 CYS 21 27.240 26.509 22.222
153 2HB CYS 21 HB1 CYS 21 28.545 26.037 21.137
154 H CYS 22 HN CYS 22 24.623 26.703 19.197
155 HA CYS 22 HA CYS 22 25.206 24.079 18.023
156 1HB CYS 22 HB2 CYS 22 24.751 23.912 20.639
157 2HB CYS 22 HB1 CYS 22 23.071 24.099 20.142
Start of MODEL 10
1 1H 5HP 1 HT1 5HP 1 28.372 32.949 29.838
2 2H 5HP 1 HT2 5HP 1 28.988 31.805 30.938
3 HA 5HP 1 HA 5HP 1 28.345 31.423 28.190
4 1HB 5HP 1 HB1 5HP 1 30.415 31.500 27.230
5 2HB 5HP 1 HB2 5HP 1 30.992 30.284 28.384
6 1HG 5HP 1 HG1 5HP 1 31.601 33.071 28.327
7 2HG 5HP 1 HG2 5HP 1 32.101 31.869 29.535
8 H ARG 2 HN ARG 2 29.443 28.857 27.896
9 HA ARG 2 HA ARG 2 29.167 27.361 30.403
10 1HB ARG 2 HB2 ARG 2 26.850 28.093 29.366
11 2HB ARG 2 HB1 ARG 2 27.133 26.732 28.290
12 1HG ARG 2 HG2 ARG 2 26.609 25.250 29.904
13 2HG ARG 2 HG1 ARG 2 27.735 26.009 31.031
14 1HD ARG 2 HD2 ARG 2 24.995 27.173 30.427
15 2HD ARG 2 HD1 ARG 2 25.297 26.061 31.780
16 HE ARG 2 HE ARG 2 27.035 28.482 31.531
17 1HH1 ARG 2 HH11 ARG 2 27.185 26.824 33.967
18 2HH1 ARG 2 HH12 ARG 2 26.150 27.656 35.076
19 1HH2 ARG 2 HH21 ARG 2 24.561 29.508 32.592
20 2HH2 ARG 2 HH22 ARG 2 24.653 29.189 34.290
21 H CYS 3 HN CYS 3 28.256 26.074 27.191
22 HA CYS 3 HA CYS 3 30.466 24.132 27.388
23 1HB CYS 3 HB2 CYS 3 28.220 24.611 25.412
24 2HB CYS 3 HB1 CYS 3 29.345 23.259 25.302
25 H CYS 4 HN CYS 4 30.838 27.182 26.602
26 HA CYS 4 HA CYS 4 32.245 26.691 24.004
27 1HB CYS 4 HB2 CYS 4 31.474 29.283 25.381
28 2HB CYS 4 HB1 CYS 4 32.096 29.114 23.748
29 H ASN 5 HN ASN 5 32.952 26.644 27.220
30 HA ASN 5 HA ASN 5 35.576 28.063 27.008
31 1HB ASN 5 HB2 ASN 5 33.567 27.492 29.050
32 2HB ASN 5 HB1 ASN 5 35.181 27.041 29.585
33 1HD2 ASN 5 HD21 ASN 5 34.785 29.718 27.280
34 2HD2 ASN 5 HD22 ASN 5 35.211 30.934 28.379
35 H GLY 6 HN GLY 6 35.236 25.570 25.590
36 1HA GLY 6 HA2 GLY 6 37.490 24.069 26.616
37 2HA GLY 6 HA1 GLY 6 35.977 23.209 26.909
38 H ARG 7 HN ARG 7 36.477 21.522 25.372
39 HA ARG 7 HA ARG 7 36.492 22.424 22.502
40 1HB ARG 7 HB2 ARG 7 38.520 21.248 23.679
41 2HB ARG 7 HB1 ARG 7 37.549 19.783 23.502
42 1HG ARG 7 HG2 ARG 7 38.799 19.807 21.509
43 2HG ARG 7 HG1 ARG 7 37.280 20.560 21.021
44 1HD ARG 7 HD2 ARG 7 38.505 22.799 21.743
45 2HD ARG 7 HD1 ARG 7 39.967 21.831 21.439
46 HE ARG 7 HE ARG 7 37.886 22.505 19.417
47 1HH1 ARG 7 HH21 ARG 7 40.987 22.839 19.434
48 2HH1 ARG 7 HH22 ARG 7 41.431 21.689 18.221
49 1HH2 ARG 7 HH11 ARG 7 38.320 20.147 18.173
50 2HH2 ARG 7 HH12 ARG 7 39.912 20.174 17.493
51 H ARG 8 HN ARG 8 34.105 21.803 24.234
52 HA ARG 8 HA ARG 8 33.108 19.349 22.832
53 1HB ARG 8 HB2 ARG 8 32.987 20.336 25.564
54 2HB ARG 8 HB1 ARG 8 31.357 20.104 24.930
55 1HG ARG 8 HG2 ARG 8 31.803 17.963 25.697
56 2HG ARG 8 HG1 ARG 8 32.377 17.827 24.034
57 1HD ARG 8 HD2 ARG 8 34.700 18.439 24.868
58 2HD ARG 8 HD1 ARG 8 34.066 18.305 26.523
59 HE ARG 8 HE ARG 8 34.176 16.050 24.552
60 1HH1 ARG 8 HH21 ARG 8 35.873 16.145 27.068
61 2HH1 ARG 8 HH22 ARG 8 34.969 15.123 28.133
62 1HH2 ARG 8 HH11 ARG 8 32.075 15.256 26.210
63 2HH2 ARG 8 HH12 ARG 8 32.805 14.603 27.636
64 H GLY 9 HN GLY 9 31.572 22.288 24.233
65 1HA GLY 9 HA2 GLY 9 30.312 23.952 23.052
66 2HA GLY 9 HA1 GLY 9 30.460 22.986 21.589
67 H CYS 10 HN CYS 10 29.344 20.684 21.984
68 HA CYS 10 HA CYS 10 26.554 21.268 22.903
69 1HB CYS 10 HB2 CYS 10 27.454 18.972 21.151
70 2HB CYS 10 HB1 CYS 10 25.879 19.757 21.194
71 H SER 11 HN SER 11 27.365 20.859 25.110
72 HA SER 11 HA SER 11 28.254 18.148 25.823
73 1HB SER 11 HB2 SER 11 27.517 20.622 27.435
74 2HB SER 11 HB1 SER 11 28.269 19.169 28.106
75 HG SER 11 HG SER 11 29.871 20.686 27.557
76 H SER 12 HN SER 12 25.313 20.145 26.278
77 HA SER 12 HA SER 12 23.877 17.628 27.093
78 1HB SER 12 HB2 SER 12 22.824 18.910 28.805
79 2HB SER 12 HB1 SER 12 24.486 19.481 28.825
80 HG SER 12 HG SER 12 23.049 21.226 28.810
81 H ARG 13 HN ARG 13 21.380 19.336 27.223
82 HA ARG 13 HA ARG 13 20.830 19.524 24.288
83 1HB ARG 13 HB2 ARG 13 19.454 18.514 26.633
84 2HB ARG 13 HB1 ARG 13 18.490 19.794 25.898
85 1HG ARG 13 HG2 ARG 13 19.220 18.425 23.675
86 2HG ARG 13 HG1 ARG 13 19.203 17.113 24.853
87 1HD ARG 13 HD2 ARG 13 16.968 17.074 24.231
88 2HD ARG 13 HD1 ARG 13 16.865 18.283 25.528
89 HE ARG 13 HE ARG 13 17.327 19.983 23.606
90 1HH1 ARG 13 HH11 ARG 13 16.985 17.160 22.013
91 2HH1 ARG 13 HH12 ARG 13 15.510 17.523 21.191
92 1HH2 ARG 13 HH21 ARG 13 14.895 20.413 23.032
93 2HH2 ARG 13 HH22 ARG 13 14.334 19.407 21.745
94 H TRP 14 HN TRP 14 21.640 21.367 26.986
95 HA TRP 14 HA TRP 14 20.003 23.763 26.365
96 1HB TRP 14 HB2 TRP 14 20.325 23.059 28.657
97 2HB TRP 14 HB1 TRP 14 22.067 22.961 28.429
98 HD1 TRP 14 HD1 TRP 14 19.372 25.264 29.414
99 HE1 TRP 14 HE1 TRP 14 20.305 27.643 29.805
100 HE3 TRP 14 HE3 TRP 14 23.987 24.706 27.403
101 HZ2 TRP 14 HZ2 TRP 14 22.739 29.094 29.331
102 HZ3 TRP 14 HZ3 TRP 14 25.600 26.523 27.372
103 HH2 TRP 14 HH2 TRP 14 24.994 28.759 28.325
104 H CYS 15 HN CYS 15 23.299 22.542 25.831
105 HA CYS 15 HA CYS 15 24.256 25.276 25.355
106 1HB CYS 15 HB2 CYS 15 25.472 22.509 25.013
107 2HB CYS 15 HB1 CYS 15 26.351 23.985 24.618
108 H ARG 16 HN ARG 16 22.211 25.198 23.762
109 HA ARG 16 HA ARG 16 23.342 24.914 21.001
110 1HB ARG 16 HB2 ARG 16 20.468 24.248 21.657
111 2HB ARG 16 HB1 ARG 16 21.416 23.764 20.254
112 1HG ARG 16 HG2 ARG 16 22.728 22.741 22.586
113 2HG ARG 16 HG1 ARG 16 21.023 22.332 22.722
114 1HD ARG 16 HD2 ARG 16 22.850 21.697 20.366
115 2HD ARG 16 HD1 ARG 16 22.126 20.536 21.500
116 HE ARG 16 HE ARG 16 19.857 21.516 20.653
117 1HH1 ARG 16 HH21 ARG 16 21.241 19.457 18.857
118 2HH1 ARG 16 HH22 ARG 16 21.127 20.216 17.305
119 1HH2 ARG 16 HH11 ARG 16 20.351 23.353 18.619
120 2HH2 ARG 16 HH12 ARG 16 20.608 22.448 17.167
121 H ASP 17 HN ASP 17 20.598 26.175 22.943
122 HA ASP 17 HA ASP 17 20.217 28.454 21.061
123 1HB ASP 17 HB2 ASP 17 18.743 27.374 23.486
124 2HB ASP 17 HB1 ASP 17 18.209 28.782 22.576
125 H HIS 18 HN HIS 18 22.520 28.140 23.211
126 HA HIS 18 HA HIS 18 22.231 30.902 24.310
127 1HB HIS 18 HB2 HIS 18 23.319 28.832 26.173
128 2HB HIS 18 HB1 HIS 18 22.344 30.249 26.526
129 HD1 HIS 18 HD1 HIS 18 21.689 26.990 24.612
130 HD2 HIS 18 HD2 HIS 18 19.963 29.347 27.525
131 HE1 HIS 18 HE1 HIS 18 19.512 25.890 25.225
132 H SER 19 HN SER 19 24.365 28.036 24.258
133 HA SER 19 HA SER 19 26.750 29.755 24.287
134 1HB SER 19 HB2 SER 19 27.675 27.233 23.975
135 2HB SER 19 HB1 SER 19 27.152 27.852 25.535
136 HG SER 19 HG SER 19 25.678 26.313 23.651
137 H ARG 20 HN ARG 20 27.176 30.729 22.280
138 HA ARG 20 HA ARG 20 26.458 29.488 19.746
139 1HB ARG 20 HB2 ARG 20 26.907 32.002 20.609
140 2HB ARG 20 HB1 ARG 20 28.497 31.656 19.925
141 1HG ARG 20 HG2 ARG 20 27.682 31.449 17.768
142 2HG ARG 20 HG1 ARG 20 26.088 30.928 18.311
143 1HD ARG 20 HD2 ARG 20 25.411 33.058 17.864
144 2HD ARG 20 HD1 ARG 20 26.299 33.522 19.331
145 HE ARG 20 HE ARG 20 28.341 33.728 17.770
146 1HH1 ARG 20 HH11 ARG 20 26.122 35.899 17.551
147 2HH1 ARG 20 HH12 ARG 20 26.041 36.090 15.834
148 1HH2 ARG 20 HH21 ARG 20 27.808 33.160 15.175
149 2HH2 ARG 20 HH22 ARG 20 26.992 34.518 14.476
150 H CYS 21 HN CYS 21 27.815 27.468 20.750
151 HA CYS 21 HA CYS 21 30.299 27.380 19.147
152 1HB CYS 21 HB2 CYS 21 31.592 26.552 21.119
153 2HB CYS 21 HB1 CYS 21 31.034 28.210 21.323
154 H CYS 22 HN CYS 22 27.813 26.117 18.709
155 HA CYS 22 HA CYS 22 28.479 23.240 19.238
156 1HB CYS 22 HB2 CYS 22 26.517 24.236 20.542
157 2HB CYS 22 HB1 CYS 22 25.708 24.486 19.001
Start of MODEL 11
1 1H 5HP 1 HT1 5HP 1 25.828 33.703 28.847
2 2H 5HP 1 HT2 5HP 1 26.724 33.115 30.172
3 HA 5HP 1 HA 5HP 1 25.706 31.608 28.035
4 1HB 5HP 1 HB1 5HP 1 27.413 31.611 26.520
5 2HB 5HP 1 HB2 5HP 1 28.481 30.937 27.764
6 1HG 5HP 1 HG1 5HP 1 28.469 33.600 26.684
7 2HG 5HP 1 HG2 5HP 1 29.533 32.932 27.940
8 H ARG 2 HN ARG 2 25.891 29.328 28.615
9 HA ARG 2 HA ARG 2 26.958 28.915 31.390
10 1HB ARG 2 HB2 ARG 2 24.430 28.716 30.641
11 2HB ARG 2 HB1 ARG 2 24.940 27.137 30.045
12 1HG ARG 2 HG2 ARG 2 25.988 27.635 32.709
13 2HG ARG 2 HG1 ARG 2 24.228 27.765 32.683
14 1HD ARG 2 HD2 ARG 2 24.341 25.527 31.305
15 2HD ARG 2 HD1 ARG 2 25.962 25.390 32.022
16 HE ARG 2 HE ARG 2 23.472 25.747 33.669
17 1HH1 ARG 2 HH11 ARG 2 24.488 22.983 33.418
18 2HH1 ARG 2 HH12 ARG 2 25.533 22.830 34.789
19 1HH2 ARG 2 HH21 ARG 2 25.766 26.258 35.314
20 2HH2 ARG 2 HH22 ARG 2 26.252 24.696 35.879
21 H CYS 3 HN CYS 3 26.210 26.781 28.587
22 HA CYS 3 HA CYS 3 28.510 25.067 29.290
23 1HB CYS 3 HB2 CYS 3 26.750 24.819 26.855
24 2HB CYS 3 HB1 CYS 3 27.513 23.539 27.790
25 H CYS 4 HN CYS 4 28.765 27.939 27.976
26 HA CYS 4 HA CYS 4 30.325 27.094 25.557
27 1HB CYS 4 HB2 CYS 4 29.295 29.793 26.488
28 2HB CYS 4 HB1 CYS 4 30.145 29.502 24.979
29 H ASN 5 HN ASN 5 30.885 27.784 28.802
30 HA ASN 5 HA ASN 5 33.416 29.278 28.370
31 1HB ASN 5 HB2 ASN 5 31.758 28.394 30.726
32 2HB ASN 5 HB1 ASN 5 33.379 29.046 30.937
33 1HD2 ASN 5 HD21 ASN 5 31.579 30.640 32.107
34 2HD2 ASN 5 HD22 ASN 5 31.190 31.993 31.161
35 H GLY 6 HN GLY 6 33.606 26.807 27.192
36 1HA GLY 6 HA2 GLY 6 35.840 25.618 28.581
37 2HA GLY 6 HA1 GLY 6 34.417 24.579 28.667
38 H ARG 7 HN ARG 7 35.068 22.940 27.264
39 HA ARG 7 HA ARG 7 35.625 23.775 24.426
40 1HB ARG 7 HB2 ARG 7 37.093 22.169 26.349
41 2HB ARG 7 HB1 ARG 7 36.740 21.238 24.894
42 1HG ARG 7 HG2 ARG 7 37.616 23.984 24.322
43 2HG ARG 7 HG1 ARG 7 38.829 23.028 25.174
44 1HD ARG 7 HD2 ARG 7 39.301 21.878 23.277
45 2HD ARG 7 HD1 ARG 7 37.597 21.408 23.106
46 HE ARG 7 HE ARG 7 38.567 24.111 22.229
47 1HH1 ARG 7 HH11 ARG 7 35.691 22.695 22.260
48 2HH1 ARG 7 HH12 ARG 7 35.467 22.533 20.551
49 1HH2 ARG 7 HH21 ARG 7 38.800 23.197 19.804
50 2HH2 ARG 7 HH22 ARG 7 37.243 22.816 19.149
51 H ARG 8 HN ARG 8 33.213 22.466 26.235
52 HA ARG 8 HA ARG 8 32.616 20.227 24.359
53 1HB ARG 8 HB2 ARG 8 32.602 20.016 26.910
54 2HB ARG 8 HB1 ARG 8 31.159 21.025 26.895
55 1HG ARG 8 HG2 ARG 8 30.485 18.691 26.934
56 2HG ARG 8 HG1 ARG 8 30.069 19.385 25.369
57 1HD ARG 8 HD2 ARG 8 31.079 17.352 24.749
58 2HD ARG 8 HD1 ARG 8 32.447 18.475 24.652
59 HE ARG 8 HE ARG 8 32.881 17.761 27.117
60 1HH1 ARG 8 HH11 ARG 8 33.778 15.815 24.939
61 2HH1 ARG 8 HH12 ARG 8 33.199 14.315 25.578
62 1HH2 ARG 8 HH21 ARG 8 31.054 15.830 27.853
63 2HH2 ARG 8 HH22 ARG 8 31.641 14.321 27.236
64 H GLY 9 HN GLY 9 30.882 23.031 25.813
65 1HA GLY 9 HA2 GLY 9 29.387 24.504 24.697
66 2HA GLY 9 HA1 GLY 9 29.584 23.548 23.233
67 H CYS 10 HN CYS 10 28.755 21.123 23.754
68 HA CYS 10 HA CYS 10 25.939 21.434 24.665
69 1HB CYS 10 HB2 CYS 10 27.255 20.224 22.432
70 2HB CYS 10 HB1 CYS 10 26.410 18.962 23.326
71 H SER 11 HN SER 11 26.523 21.233 26.824
72 HA SER 11 HA SER 11 27.905 18.869 27.867
73 1HB SER 11 HB2 SER 11 26.360 21.044 29.322
74 2HB SER 11 HB1 SER 11 27.656 20.034 29.975
75 HG SER 11 HG SER 11 28.849 21.676 29.357
76 H SER 12 HN SER 12 24.554 20.101 27.797
77 HA SER 12 HA SER 12 23.608 17.343 28.459
78 1HB SER 12 HB2 SER 12 22.711 19.953 29.756
79 2HB SER 12 HB1 SER 12 22.034 18.361 30.095
80 HG SER 12 HG SER 12 23.573 18.701 31.633
81 H ARG 13 HN ARG 13 20.827 18.605 28.631
82 HA ARG 13 HA ARG 13 20.358 18.801 25.698
83 1HB ARG 13 HB2 ARG 13 19.127 17.321 27.560
84 2HB ARG 13 HB1 ARG 13 18.191 18.800 27.780
85 1HG ARG 13 HG2 ARG 13 17.193 17.189 26.114
86 2HG ARG 13 HG1 ARG 13 17.507 18.799 25.462
87 1HD ARG 13 HD2 ARG 13 19.324 18.066 24.172
88 2HD ARG 13 HD1 ARG 13 19.616 16.655 25.206
89 HE ARG 13 HE ARG 13 18.107 15.493 23.812
90 1HH1 ARG 13 HH11 ARG 13 15.680 16.833 24.799
91 2HH1 ARG 13 HH12 ARG 13 15.035 17.590 23.383
92 1HH2 ARG 13 HH21 ARG 13 17.990 17.296 21.580
93 2HH2 ARG 13 HH22 ARG 13 16.354 17.856 21.549
94 H TRP 14 HN TRP 14 20.656 20.780 28.472
95 HA TRP 14 HA TRP 14 18.871 22.957 27.656
96 1HB TRP 14 HB2 TRP 14 19.402 22.485 29.978
97 2HB TRP 14 HB1 TRP 14 21.127 22.656 29.653
98 HD1 TRP 14 HD1 TRP 14 18.087 24.583 30.506
99 HE1 TRP 14 HE1 TRP 14 18.627 27.104 30.645
100 HE3 TRP 14 HE3 TRP 14 22.728 24.576 28.460
101 HZ2 TRP 14 HZ2 TRP 14 20.764 28.880 29.935
102 HZ3 TRP 14 HZ3 TRP 14 24.003 26.649 28.206
103 HH2 TRP 14 HH2 TRP 14 23.040 28.821 28.945
104 H CYS 15 HN CYS 15 22.227 22.085 27.010
105 HA CYS 15 HA CYS 15 22.871 24.858 26.261
106 1HB CYS 15 HB2 CYS 15 24.544 22.420 25.618
107 2HB CYS 15 HB1 CYS 15 25.085 24.049 26.011
108 H ARG 16 HN ARG 16 20.816 24.455 24.727
109 HA ARG 16 HA ARG 16 21.962 24.133 21.991
110 1HB ARG 16 HB2 ARG 16 19.181 23.138 22.463
111 2HB ARG 16 HB1 ARG 16 20.399 22.562 21.329
112 1HG ARG 16 HG2 ARG 16 21.596 21.412 23.117
113 2HG ARG 16 HG1 ARG 16 20.511 22.104 24.331
114 1HD ARG 16 HD2 ARG 16 19.435 20.075 24.036
115 2HD ARG 16 HD1 ARG 16 18.659 20.972 22.720
116 HE ARG 16 HE ARG 16 20.400 18.737 22.329
117 1HH1 ARG 16 HH11 ARG 16 18.641 20.261 20.292
118 2HH1 ARG 16 HH12 ARG 16 19.825 20.707 19.110
119 1HH2 ARG 16 HH21 ARG 16 22.522 20.132 21.237
120 2HH2 ARG 16 HH22 ARG 16 22.040 20.658 19.656
121 H ASP 17 HN ASP 17 18.989 24.989 23.790
122 HA ASP 17 HA ASP 17 18.246 27.049 21.807
123 1HB ASP 17 HB2 ASP 17 17.041 26.132 24.435
124 2HB ASP 17 HB1 ASP 17 16.240 27.175 23.275
125 H HIS 18 HN HIS 18 20.640 27.282 23.889
126 HA HIS 18 HA HIS 18 20.003 30.085 24.684
127 1HB HIS 18 HB2 HIS 18 21.376 28.433 26.745
128 2HB HIS 18 HB1 HIS 18 20.178 29.697 26.951
129 HD1 HIS 18 HD1 HIS 18 20.061 26.192 25.407
130 HD2 HIS 18 HD2 HIS 18 18.011 28.509 28.122
131 HE1 HIS 18 HE1 HIS 18 18.119 24.810 26.192
132 H SER 19 HN SER 19 22.526 27.538 24.993
133 HA SER 19 HA SER 19 24.648 29.569 24.754
134 1HB SER 19 HB2 SER 19 25.968 27.267 24.862
135 2HB SER 19 HB1 SER 19 25.186 27.914 26.297
136 HG SER 19 HG SER 19 24.187 25.970 24.480
137 H ARG 20 HN ARG 20 24.816 30.304 22.601
138 HA ARG 20 HA ARG 20 24.490 28.548 20.298
139 1HB ARG 20 HB2 ARG 20 25.268 31.381 20.884
140 2HB ARG 20 HB1 ARG 20 25.736 30.727 19.315
141 1HG ARG 20 HG2 ARG 20 22.917 30.347 20.292
142 2HG ARG 20 HG1 ARG 20 23.389 31.895 19.593
143 1HD ARG 20 HD2 ARG 20 23.699 29.192 18.222
144 2HD ARG 20 HD1 ARG 20 22.457 30.399 17.849
145 HE ARG 20 HE ARG 20 25.359 30.666 17.267
146 1HH1 ARG 20 HH11 ARG 20 23.025 31.088 15.334
147 2HH1 ARG 20 HH12 ARG 20 23.022 32.813 15.177
148 1HH2 ARG 20 HH21 ARG 20 24.990 33.324 17.988
149 2HH2 ARG 20 HH22 ARG 20 24.149 34.084 16.677
150 H CYS 21 HN CYS 21 26.214 27.081 21.667
151 HA CYS 21 HA CYS 21 28.758 27.334 20.158
152 1HB CYS 21 HB2 CYS 21 30.089 27.290 22.209
153 2HB CYS 21 HB1 CYS 21 28.985 28.662 22.260
154 H CYS 22 HN CYS 22 26.536 25.411 20.081
155 HA CYS 22 HA CYS 22 27.760 22.970 21.304
156 1HB CYS 22 HB2 CYS 22 25.430 23.343 21.867
157 2HB CYS 22 HB1 CYS 22 25.012 23.629 20.179
Start of MODEL 12
1 1H 5HP 1 HT1 5HP 1 24.842 31.073 28.644
2 2H 5HP 1 HT2 5HP 1 26.508 30.976 28.982
3 HA 5HP 1 HA 5HP 1 24.956 29.512 27.014
4 1HB 5HP 1 HB1 5HP 1 25.951 30.304 25.116
5 2HB 5HP 1 HB2 5HP 1 27.558 30.231 25.859
6 1HG 5HP 1 HG1 5HP 1 25.833 32.525 25.494
7 2HG 5HP 1 HG2 5HP 1 27.493 32.471 26.129
8 H ARG 2 HN ARG 2 26.343 27.535 26.420
9 HA ARG 2 HA ARG 2 28.432 26.994 28.502
10 1HB ARG 2 HB2 ARG 2 26.306 25.051 27.539
11 2HB ARG 2 HB1 ARG 2 27.411 24.837 28.895
12 1HG ARG 2 HG2 ARG 2 26.345 26.688 30.093
13 2HG ARG 2 HG1 ARG 2 25.276 26.986 28.724
14 1HD ARG 2 HD2 ARG 2 23.835 25.588 29.841
15 2HD ARG 2 HD1 ARG 2 24.855 24.296 29.178
16 HE ARG 2 HE ARG 2 26.275 24.634 31.319
17 1HH1 ARG 2 HH11 ARG 2 24.696 26.806 32.531
18 2HH1 ARG 2 HH12 ARG 2 23.621 25.971 33.596
19 1HH2 ARG 2 HH21 ARG 2 24.077 22.887 32.049
20 2HH2 ARG 2 HH22 ARG 2 23.264 23.735 33.321
21 H CYS 3 HN CYS 3 26.992 25.530 25.534
22 HA CYS 3 HA CYS 3 29.549 24.269 24.850
23 1HB CYS 3 HB2 CYS 3 26.846 24.476 23.502
24 2HB CYS 3 HB1 CYS 3 28.181 23.532 22.850
25 H CYS 4 HN CYS 4 29.151 27.414 24.717
26 HA CYS 4 HA CYS 4 30.151 27.657 21.892
27 1HB CYS 4 HB2 CYS 4 28.396 29.408 23.624
28 2HB CYS 4 HB1 CYS 4 29.253 30.064 22.234
29 H ASN 5 HN ASN 5 31.395 27.366 24.789
30 HA ASN 5 HA ASN 5 33.317 29.653 24.536
31 1HB ASN 5 HB2 ASN 5 32.216 28.155 26.930
32 2HB ASN 5 HB1 ASN 5 33.534 29.314 27.018
33 1HD2 ASN 5 HD21 ASN 5 32.901 31.446 27.409
34 2HD2 ASN 5 HD22 ASN 5 31.344 32.057 27.122
35 H GLY 6 HN GLY 6 33.569 27.149 23.174
36 1HA GLY 6 HA2 GLY 6 36.225 26.348 23.953
37 2HA GLY 6 HA1 GLY 6 35.034 25.119 24.389
38 H ARG 7 HN ARG 7 35.222 23.529 22.831
39 HA ARG 7 HA ARG 7 34.872 24.385 19.983
40 1HB ARG 7 HB2 ARG 7 36.671 22.854 19.320
41 2HB ARG 7 HB1 ARG 7 37.267 24.011 20.506
42 1HG ARG 7 HG2 ARG 7 36.620 22.139 22.251
43 2HG ARG 7 HG1 ARG 7 36.707 21.073 20.848
44 1HD ARG 7 HD2 ARG 7 38.950 22.954 21.691
45 2HD ARG 7 HD1 ARG 7 38.900 21.221 22.062
46 HE ARG 7 HE ARG 7 38.638 22.062 19.207
47 1HH1 ARG 7 HH21 ARG 7 41.446 22.371 19.924
48 2HH1 ARG 7 HH22 ARG 7 42.099 20.783 19.689
49 1HH2 ARG 7 HH11 ARG 7 38.996 19.210 19.736
50 2HH2 ARG 7 HH12 ARG 7 40.706 18.988 19.581
51 H ARG 8 HN ARG 8 33.007 23.170 21.985
52 HA ARG 8 HA ARG 8 32.587 20.445 20.813
53 1HB ARG 8 HB2 ARG 8 31.928 21.860 23.372
54 2HB ARG 8 HB1 ARG 8 30.817 20.599 22.840
55 1HG ARG 8 HG2 ARG 8 33.619 19.787 22.585
56 2HG ARG 8 HG1 ARG 8 33.190 20.207 24.242
57 1HD ARG 8 HD2 ARG 8 31.348 18.626 24.232
58 2HD ARG 8 HD1 ARG 8 31.606 18.280 22.511
59 HE ARG 8 HE ARG 8 33.938 17.490 23.225
60 1HH1 ARG 8 HH21 ARG 8 31.940 15.411 23.922
61 2HH1 ARG 8 HH22 ARG 8 32.221 15.123 25.605
62 1HH2 ARG 8 HH11 ARG 8 34.015 18.082 26.037
63 2HH2 ARG 8 HH12 ARG 8 33.417 16.660 26.826
64 H GLY 9 HN GLY 9 30.657 23.345 21.722
65 1HA GLY 9 HA2 GLY 9 28.910 24.373 20.515
66 2HA GLY 9 HA1 GLY 9 29.204 23.242 19.198
67 H CYS 10 HN CYS 10 28.681 20.820 20.098
68 HA CYS 10 HA CYS 10 25.952 20.958 21.336
69 1HB CYS 10 HB2 CYS 10 27.016 19.769 18.841
70 2HB CYS 10 HB1 CYS 10 25.872 18.763 19.726
71 H SER 11 HN SER 11 26.898 20.423 23.353
72 HA SER 11 HA SER 11 28.414 17.916 23.680
73 1HB SER 11 HB2 SER 11 28.065 20.373 25.079
74 2HB SER 11 HB1 SER 11 27.472 19.105 26.146
75 HG SER 11 HG SER 11 29.467 18.024 25.843
76 H SER 12 HN SER 12 25.107 19.071 24.075
77 HA SER 12 HA SER 12 24.192 16.280 24.505
78 1HB SER 12 HB2 SER 12 24.715 17.323 26.729
79 2HB SER 12 HB1 SER 12 23.571 18.612 26.355
80 HG SER 12 HG SER 12 23.066 15.832 26.716
81 H ARG 13 HN ARG 13 21.559 17.478 25.374
82 HA ARG 13 HA ARG 13 20.574 18.232 22.657
83 1HB ARG 13 HB2 ARG 13 19.426 17.158 25.215
84 2HB ARG 13 HB1 ARG 13 18.355 17.993 24.092
85 1HG ARG 13 HG2 ARG 13 19.967 16.197 22.556
86 2HG ARG 13 HG1 ARG 13 19.325 15.297 23.931
87 1HD ARG 13 HD2 ARG 13 17.677 15.148 22.166
88 2HD ARG 13 HD1 ARG 13 17.038 16.301 23.357
89 HE ARG 13 HE ARG 13 18.183 18.099 21.838
90 1HH1 ARG 13 HH11 ARG 13 18.877 15.715 19.943
91 2HH1 ARG 13 HH12 ARG 13 17.691 15.953 18.706
92 1HH2 ARG 13 HH21 ARG 13 15.809 18.186 20.593
93 2HH2 ARG 13 HH22 ARG 13 15.939 17.366 19.073
94 H TRP 14 HN TRP 14 21.193 19.602 25.784
95 HA TRP 14 HA TRP 14 19.449 21.915 25.627
96 1HB TRP 14 HB2 TRP 14 20.419 21.021 27.702
97 2HB TRP 14 HB1 TRP 14 22.038 21.346 27.085
98 HD1 TRP 14 HD1 TRP 14 19.130 22.943 28.759
99 HE1 TRP 14 HE1 TRP 14 19.634 25.414 29.264
100 HE3 TRP 14 HE3 TRP 14 23.395 23.509 26.064
101 HZ2 TRP 14 HZ2 TRP 14 21.602 27.377 28.578
102 HZ3 TRP 14 HZ3 TRP 14 24.572 25.639 26.003
103 HH2 TRP 14 HH2 TRP 14 23.698 27.602 27.261
104 H CYS 15 HN CYS 15 22.695 21.223 24.354
105 HA CYS 15 HA CYS 15 23.161 24.096 23.908
106 1HB CYS 15 HB2 CYS 15 24.631 21.554 23.127
107 2HB CYS 15 HB1 CYS 15 25.244 23.166 22.762
108 H ARG 16 HN ARG 16 20.911 23.848 22.685
109 HA ARG 16 HA ARG 16 21.515 23.706 19.762
110 1HB ARG 16 HB2 ARG 16 19.012 22.654 21.130
111 2HB ARG 16 HB1 ARG 16 19.438 22.485 19.430
112 1HG ARG 16 HG2 ARG 16 21.209 21.388 21.631
113 2HG ARG 16 HG1 ARG 16 19.882 20.451 20.946
114 1HD ARG 16 HD2 ARG 16 22.229 21.603 19.369
115 2HD ARG 16 HD1 ARG 16 21.953 19.888 19.746
116 HE ARG 16 HE ARG 16 19.762 20.138 18.447
117 1HH1 ARG 16 HH21 ARG 16 22.489 20.412 16.892
118 2HH1 ARG 16 HH22 ARG 16 22.057 21.642 15.752
119 1HH2 ARG 16 HH11 ARG 16 19.152 22.507 17.425
120 2HH2 ARG 16 HH12 ARG 16 20.161 22.844 16.062
121 H ASP 17 HN ASP 17 19.043 24.710 22.182
122 HA ASP 17 HA ASP 17 18.277 27.000 20.425
123 1HB ASP 17 HB2 ASP 17 17.029 25.321 22.560
124 2HB ASP 17 HB1 ASP 17 16.445 26.972 22.378
125 H HIS 18 HN HIS 18 20.699 26.825 22.435
126 HA HIS 18 HA HIS 18 20.088 29.415 23.820
127 1HB HIS 18 HB2 HIS 18 21.806 27.406 25.224
128 2HB HIS 18 HB1 HIS 18 20.714 28.598 25.902
129 HD1 HIS 18 HD1 HIS 18 20.242 25.457 23.758
130 HD2 HIS 18 HD2 HIS 18 18.705 27.244 27.142
131 HE1 HIS 18 HE1 HIS 18 18.428 23.952 24.582
132 H SER 19 HN SER 19 22.650 27.039 23.030
133 HA SER 19 HA SER 19 24.707 29.151 23.014
134 1HB SER 19 HB2 SER 19 25.326 26.430 22.000
135 2HB SER 19 HB1 SER 19 26.171 27.394 23.180
136 HG SER 19 HG SER 19 24.025 25.640 23.497
137 H ARG 20 HN ARG 20 24.824 30.401 21.168
138 HA ARG 20 HA ARG 20 23.674 29.649 18.630
139 1HB ARG 20 HB2 ARG 20 24.622 31.936 19.907
140 2HB ARG 20 HB1 ARG 20 25.761 31.711 18.581
141 1HG ARG 20 HG2 ARG 20 24.204 32.763 17.312
142 2HG ARG 20 HG1 ARG 20 23.350 31.223 17.342
143 1HD ARG 20 HD2 ARG 20 21.661 32.107 18.574
144 2HD ARG 20 HD1 ARG 20 22.794 32.772 19.762
145 HE ARG 20 HE ARG 20 22.305 34.150 17.143
146 1HH1 ARG 20 HH11 ARG 20 20.526 34.748 19.532
147 2HH1 ARG 20 HH12 ARG 20 21.290 36.159 20.182
148 1HH2 ARG 20 HH21 ARG 20 24.250 35.663 18.426
149 2HH2 ARG 20 HH22 ARG 20 23.419 36.684 19.549
150 H CYS 21 HN CYS 21 25.133 27.451 18.991
151 HA CYS 21 HA CYS 21 27.352 27.701 17.022
152 1HB CYS 21 HB2 CYS 21 27.644 26.324 19.719
153 2HB CYS 21 HB1 CYS 21 28.904 26.585 18.519
154 H CYS 22 HN CYS 22 24.609 26.453 17.003
155 HA CYS 22 HA CYS 22 25.399 23.799 16.001
156 1HB CYS 22 HB2 CYS 22 24.184 24.271 18.674
157 2HB CYS 22 HB1 CYS 22 23.452 22.979 17.733
Start of MODEL 13
1 1H 5HP 1 HT1 5HP 1 25.371 31.718 28.804
2 2H 5HP 1 HT2 5HP 1 26.808 31.289 29.612
3 HA 5HP 1 HA 5HP 1 25.651 30.160 27.193
4 1HB 5HP 1 HB1 5HP 1 27.375 30.618 25.764
5 2HB 5HP 1 HB2 5HP 1 28.583 30.215 26.997
6 1HG 5HP 1 HG1 5HP 1 27.650 32.822 26.168
7 2HG 5HP 1 HG2 5HP 1 28.925 32.423 27.340
8 H ARG 2 HN ARG 2 27.070 27.991 26.869
9 HA ARG 2 HA ARG 2 28.230 26.931 29.363
10 1HB ARG 2 HB2 ARG 2 25.968 26.668 29.974
11 2HB ARG 2 HB1 ARG 2 25.474 26.309 28.329
12 1HG ARG 2 HG2 ARG 2 26.403 24.099 28.430
13 2HG ARG 2 HG1 ARG 2 27.227 24.451 29.950
14 1HD ARG 2 HD2 ARG 2 24.304 24.915 30.025
15 2HD ARG 2 HD1 ARG 2 24.774 23.221 29.784
16 HE ARG 2 HE ARG 2 26.000 23.293 31.879
17 1HH1 ARG 2 HH21 ARG 2 23.313 24.866 32.293
18 2HH1 ARG 2 HH22 ARG 2 23.877 26.134 33.326
19 1HH2 ARG 2 HH11 ARG 2 27.234 25.520 32.659
20 2HH2 ARG 2 HH12 ARG 2 26.115 26.504 33.538
21 H CYS 3 HN CYS 3 26.553 25.402 26.563
22 HA CYS 3 HA CYS 3 28.816 23.594 26.113
23 1HB CYS 3 HB2 CYS 3 26.455 24.082 24.279
24 2HB CYS 3 HB1 CYS 3 27.386 22.601 24.478
25 H CYS 4 HN CYS 4 29.938 26.104 25.835
26 HA CYS 4 HA CYS 4 30.584 26.152 22.927
27 1HB CYS 4 HB2 CYS 4 29.369 28.407 24.530
28 2HB CYS 4 HB1 CYS 4 30.274 28.694 23.049
29 H ASN 5 HN ASN 5 31.968 25.590 25.601
30 HA ASN 5 HA ASN 5 34.178 27.602 25.353
31 1HB ASN 5 HB2 ASN 5 32.613 26.632 27.568
32 2HB ASN 5 HB1 ASN 5 34.287 26.143 27.807
33 1HD2 ASN 5 HD21 ASN 5 35.575 27.707 28.789
34 2HD2 ASN 5 HD22 ASN 5 35.268 29.372 28.758
35 H GLY 6 HN GLY 6 33.778 25.071 23.824
36 1HA GLY 6 HA2 GLY 6 36.460 24.035 23.998
37 2HA GLY 6 HA1 GLY 6 35.306 22.894 24.694
38 H ARG 7 HN ARG 7 35.925 21.476 22.851
39 HA ARG 7 HA ARG 7 34.902 22.346 20.195
40 1HB ARG 7 HB2 ARG 7 36.076 20.320 19.411
41 2HB ARG 7 HB1 ARG 7 37.139 21.327 20.389
42 1HG ARG 7 HG2 ARG 7 36.635 19.880 22.361
43 2HG ARG 7 HG1 ARG 7 35.668 18.839 21.318
44 1HD ARG 7 HD2 ARG 7 38.552 19.477 20.644
45 2HD ARG 7 HD1 ARG 7 38.127 18.126 21.714
46 HE ARG 7 HE ARG 7 36.556 17.400 19.786
47 1HH1 ARG 7 HH21 ARG 7 39.670 17.077 19.510
48 2HH1 ARG 7 HH22 ARG 7 39.857 17.476 17.836
49 1HH2 ARG 7 HH11 ARG 7 36.674 18.860 17.550
50 2HH2 ARG 7 HH12 ARG 7 38.148 18.498 16.720
51 H ARG 8 HN ARG 8 33.251 21.327 22.717
52 HA ARG 8 HA ARG 8 31.909 18.957 21.591
53 1HB ARG 8 HB2 ARG 8 31.579 20.689 24.060
54 2HB ARG 8 HB1 ARG 8 30.469 19.371 23.690
55 1HG ARG 8 HG2 ARG 8 32.339 17.777 23.674
56 2HG ARG 8 HG1 ARG 8 33.475 19.086 24.007
57 1HD ARG 8 HD2 ARG 8 32.658 19.404 26.206
58 2HD ARG 8 HD1 ARG 8 31.133 18.566 25.855
59 HE ARG 8 HE ARG 8 33.112 16.651 25.369
60 1HH1 ARG 8 HH21 ARG 8 34.685 17.964 27.554
61 2HH1 ARG 8 HH22 ARG 8 34.084 17.169 28.971
62 1HH2 ARG 8 HH11 ARG 8 31.235 15.955 27.384
63 2HH2 ARG 8 HH12 ARG 8 32.115 16.035 28.873
64 H GLY 9 HN GLY 9 30.293 21.829 22.944
65 1HA GLY 9 HA2 GLY 9 28.850 23.382 21.859
66 2HA GLY 9 HA1 GLY 9 29.060 22.481 20.359
67 H CYS 10 HN CYS 10 28.138 20.156 20.545
68 HA CYS 10 HA CYS 10 25.356 20.375 21.628
69 1HB CYS 10 HB2 CYS 10 26.616 18.558 19.538
70 2HB CYS 10 HB1 CYS 10 24.898 18.630 19.924
71 H SER 11 HN SER 11 26.297 19.854 23.748
72 HA SER 11 HA SER 11 27.458 17.190 24.207
73 1HB SER 11 HB2 SER 11 26.511 19.401 26.085
74 2HB SER 11 HB1 SER 11 27.535 18.030 26.531
75 HG SER 11 HG SER 11 28.779 19.895 26.086
76 H SER 12 HN SER 12 24.278 18.752 24.563
77 HA SER 12 HA SER 12 23.085 16.071 25.059
78 1HB SER 12 HB2 SER 12 23.703 17.023 27.263
79 2HB SER 12 HB1 SER 12 22.793 18.482 26.885
80 HG SER 12 HG SER 12 21.938 16.081 27.808
81 H ARG 13 HN ARG 13 20.588 17.499 25.960
82 HA ARG 13 HA ARG 13 19.614 18.344 23.266
83 1HB ARG 13 HB2 ARG 13 18.273 17.582 25.893
84 2HB ARG 13 HB1 ARG 13 17.385 18.098 24.460
85 1HG ARG 13 HG2 ARG 13 19.268 16.066 23.684
86 2HG ARG 13 HG1 ARG 13 18.343 15.491 25.071
87 1HD ARG 13 HD2 ARG 13 17.078 14.876 23.106
88 2HD ARG 13 HD1 ARG 13 16.233 16.258 23.827
89 HE ARG 13 HE ARG 13 17.341 17.715 22.139
90 1HH1 ARG 13 HH21 ARG 13 15.756 15.823 20.528
91 2HH1 ARG 13 HH22 ARG 13 16.903 15.231 19.379
92 1HH2 ARG 13 HH11 ARG 13 19.660 16.305 21.197
93 2HH2 ARG 13 HH12 ARG 13 19.135 15.508 19.755
94 H TRP 14 HN TRP 14 20.762 19.690 26.156
95 HA TRP 14 HA TRP 14 19.088 22.103 26.219
96 1HB TRP 14 HB2 TRP 14 20.000 21.085 28.242
97 2HB TRP 14 HB1 TRP 14 21.639 21.210 27.601
98 HD1 TRP 14 HD1 TRP 14 19.032 23.115 29.396
99 HE1 TRP 14 HE1 TRP 14 19.834 25.511 29.916
100 HE3 TRP 14 HE3 TRP 14 23.183 23.248 26.515
101 HZ2 TRP 14 HZ2 TRP 14 21.987 27.251 29.193
102 HZ3 TRP 14 HZ3 TRP 14 24.592 25.248 26.427
103 HH2 TRP 14 HH2 TRP 14 24.013 27.268 27.758
104 H CYS 15 HN CYS 15 22.161 21.139 24.737
105 HA CYS 15 HA CYS 15 22.940 23.954 24.434
106 1HB CYS 15 HB2 CYS 15 24.137 21.570 22.985
107 2HB CYS 15 HB1 CYS 15 24.939 23.055 23.484
108 H ARG 16 HN ARG 16 20.647 24.176 23.347
109 HA ARG 16 HA ARG 16 21.072 24.091 20.385
110 1HB ARG 16 HB2 ARG 16 18.394 23.651 21.731
111 2HB ARG 16 HB1 ARG 16 18.854 23.274 20.075
112 1HG ARG 16 HG2 ARG 16 20.529 21.606 21.084
113 2HG ARG 16 HG1 ARG 16 19.663 21.823 22.609
114 1HD ARG 16 HD2 ARG 16 18.408 20.070 21.773
115 2HD ARG 16 HD1 ARG 16 17.554 21.385 20.949
116 HE ARG 16 HE ARG 16 19.880 20.005 19.643
117 1HH1 ARG 16 HH21 ARG 16 17.692 22.330 18.927
118 2HH1 ARG 16 HH22 ARG 16 16.945 21.539 17.584
119 1HH2 ARG 16 HH11 ARG 16 18.469 18.477 18.225
120 2HH2 ARG 16 HH12 ARG 16 17.392 19.344 17.181
121 H ASP 17 HN ASP 17 18.706 25.382 22.791
122 HA ASP 17 HA ASP 17 18.537 27.927 21.267
123 1HB ASP 17 HB2 ASP 17 16.963 26.408 23.270
124 2HB ASP 17 HB1 ASP 17 16.857 28.160 23.405
125 H HIS 18 HN HIS 18 20.826 27.030 23.268
126 HA HIS 18 HA HIS 18 20.853 29.624 24.770
127 1HB HIS 18 HB2 HIS 18 22.199 27.229 25.951
128 2HB HIS 18 HB1 HIS 18 21.367 28.544 26.759
129 HD1 HIS 18 HD1 HIS 18 20.284 25.697 24.445
130 HD2 HIS 18 HD2 HIS 18 19.127 27.511 27.967
131 HE1 HIS 18 HE1 HIS 18 18.256 24.459 25.242
132 H SER 19 HN SER 19 22.852 26.868 23.686
133 HA SER 19 HA SER 19 25.264 28.595 23.590
134 1HB SER 19 HB2 SER 19 26.202 26.237 22.918
135 2HB SER 19 HB1 SER 19 25.668 26.482 24.572
136 HG SER 19 HG SER 19 24.193 25.336 22.428
137 H ARG 20 HN ARG 20 25.375 29.792 21.692
138 HA ARG 20 HA ARG 20 24.173 28.931 19.184
139 1HB ARG 20 HB2 ARG 20 25.648 31.214 20.299
140 2HB ARG 20 HB1 ARG 20 26.055 30.901 18.613
141 1HG ARG 20 HG2 ARG 20 23.180 30.695 19.133
142 2HG ARG 20 HG1 ARG 20 23.820 32.293 19.507
143 1HD ARG 20 HD2 ARG 20 24.970 31.372 17.016
144 2HD ARG 20 HD1 ARG 20 23.201 31.264 16.935
145 HE ARG 20 HE ARG 20 23.062 33.639 17.425
146 1HH1 ARG 20 HH11 ARG 20 25.113 33.589 15.236
147 2HH1 ARG 20 HH12 ARG 20 26.357 34.603 15.887
148 1HH2 ARG 20 HH21 ARG 20 25.154 34.404 19.142
149 2HH2 ARG 20 HH22 ARG 20 26.379 35.069 18.115
150 H CYS 21 HN CYS 21 25.667 26.792 19.903
151 HA CYS 21 HA CYS 21 27.872 26.751 17.894
152 1HB CYS 21 HB2 CYS 21 28.104 25.493 20.641
153 2HB CYS 21 HB1 CYS 21 29.389 25.805 19.481
154 H CYS 22 HN CYS 22 25.195 25.737 17.672
155 HA CYS 22 HA CYS 22 25.753 22.830 17.364
156 1HB CYS 22 HB2 CYS 22 23.892 24.143 19.293
157 2HB CYS 22 HB1 CYS 22 23.268 22.733 18.450
Start of MODEL 14
1 1H 5HP 1 HT1 5HP 1 28.058 34.608 31.357
2 2H 5HP 1 HT2 5HP 1 28.597 33.265 32.252
3 HA 5HP 1 HA 5HP 1 27.980 33.442 29.429
4 1HB 5HP 1 HB1 5HP 1 30.056 32.991 28.585
5 2HB 5HP 1 HB2 5HP 1 30.338 31.737 29.805
6 1HG 5HP 1 HG1 5HP 1 31.309 34.457 29.752
7 2HG 5HP 1 HG2 5HP 1 31.676 33.168 30.920
8 H ARG 2 HN ARG 2 27.093 31.399 28.800
9 HA ARG 2 HA ARG 2 26.672 29.506 31.081
10 1HB ARG 2 HB2 ARG 2 24.824 30.889 29.774
11 2HB ARG 2 HB1 ARG 2 24.956 29.567 28.619
12 1HG ARG 2 HG2 ARG 2 24.509 29.192 31.577
13 2HG ARG 2 HG1 ARG 2 23.220 29.207 30.382
14 1HD ARG 2 HD2 ARG 2 23.558 26.979 30.104
15 2HD ARG 2 HD1 ARG 2 25.146 27.362 29.415
16 HE ARG 2 HE ARG 2 25.100 27.451 32.345
17 1HH1 ARG 2 HH11 ARG 2 24.187 24.696 31.703
18 2HH1 ARG 2 HH12 ARG 2 25.677 23.823 31.552
19 1HH2 ARG 2 HH21 ARG 2 27.614 26.703 31.173
20 2HH2 ARG 2 HH22 ARG 2 27.629 24.972 31.260
21 H CYS 3 HN CYS 3 26.126 28.859 27.636
22 HA CYS 3 HA CYS 3 28.088 26.604 27.841
23 1HB CYS 3 HB2 CYS 3 25.381 26.985 26.630
24 2HB CYS 3 HB1 CYS 3 26.504 25.924 25.781
25 H CYS 4 HN CYS 4 28.328 29.586 26.901
26 HA CYS 4 HA CYS 4 29.463 28.900 24.188
27 1HB CYS 4 HB2 CYS 4 27.924 31.235 25.244
28 2HB CYS 4 HB1 CYS 4 29.078 31.487 23.939
29 H ASN 5 HN ASN 5 30.820 28.798 26.834
30 HA ASN 5 HA ASN 5 33.072 30.658 26.186
31 1HB ASN 5 HB2 ASN 5 31.259 30.830 28.365
32 2HB ASN 5 HB1 ASN 5 32.783 30.253 29.036
33 1HD2 ASN 5 HD21 ASN 5 32.068 32.581 26.350
34 2HD2 ASN 5 HD22 ASN 5 33.008 33.833 27.006
35 H GLY 6 HN GLY 6 32.667 27.841 25.618
36 1HA GLY 6 HA2 GLY 6 34.995 26.733 27.114
37 2HA GLY 6 HA1 GLY 6 33.520 25.770 27.016
38 H ARG 7 HN ARG 7 34.751 24.146 25.829
39 HA ARG 7 HA ARG 7 35.805 24.903 23.168
40 1HB ARG 7 HB2 ARG 7 35.765 22.414 24.887
41 2HB ARG 7 HB1 ARG 7 36.319 22.360 23.215
42 1HG ARG 7 HG2 ARG 7 37.887 24.300 23.831
43 2HG ARG 7 HG1 ARG 7 37.498 23.938 25.513
44 1HD ARG 7 HD2 ARG 7 39.402 22.604 25.203
45 2HD ARG 7 HD1 ARG 7 38.126 21.449 24.768
46 HE ARG 7 HE ARG 7 38.497 22.475 22.356
47 1HH1 ARG 7 HH21 ARG 7 40.273 20.185 23.447
48 2HH1 ARG 7 HH22 ARG 7 41.838 20.739 22.958
49 1HH2 ARG 7 HH11 ARG 7 40.744 23.979 22.282
50 2HH2 ARG 7 HH12 ARG 7 42.114 22.918 22.298
51 H ARG 8 HN ARG 8 33.339 22.619 24.455
52 HA ARG 8 HA ARG 8 32.296 22.185 21.722
53 1HB ARG 8 HB2 ARG 8 31.666 21.106 24.483
54 2HB ARG 8 HB1 ARG 8 30.740 20.647 23.055
55 1HG ARG 8 HG2 ARG 8 33.218 20.209 22.095
56 2HG ARG 8 HG1 ARG 8 33.540 19.939 23.808
57 1HD ARG 8 HD2 ARG 8 31.344 18.457 23.683
58 2HD ARG 8 HD1 ARG 8 31.748 18.393 21.954
59 HE ARG 8 HE ARG 8 34.176 17.853 23.047
60 1HH1 ARG 8 HH11 ARG 8 32.676 15.578 21.933
61 2HH1 ARG 8 HH12 ARG 8 32.492 14.524 23.295
62 1HH2 ARG 8 HH21 ARG 8 33.239 17.001 25.627
63 2HH2 ARG 8 HH22 ARG 8 32.807 15.339 25.406
64 H GLY 9 HN GLY 9 30.734 23.098 24.840
65 1HA GLY 9 HA2 GLY 9 29.344 25.103 25.049
66 2HA GLY 9 HA1 GLY 9 29.068 25.046 23.310
67 H CYS 10 HN CYS 10 28.786 21.913 24.127
68 HA CYS 10 HA CYS 10 25.839 22.125 24.574
69 1HB CYS 10 HB2 CYS 10 27.509 19.842 23.468
70 2HB CYS 10 HB1 CYS 10 25.753 19.980 23.418
71 H SER 11 HN SER 11 26.258 22.361 26.846
72 HA SER 11 HA SER 11 27.583 20.211 28.360
73 1HB SER 11 HB2 SER 11 27.889 22.378 29.237
74 2HB SER 11 HB1 SER 11 26.227 22.853 28.909
75 HG SER 11 HG SER 11 27.218 21.118 30.930
76 H SER 12 HN SER 12 24.253 21.326 27.721
77 HA SER 12 HA SER 12 23.272 18.690 28.743
78 1HB SER 12 HB2 SER 12 23.131 20.392 30.542
79 2HB SER 12 HB1 SER 12 22.255 21.465 29.466
80 HG SER 12 HG SER 12 21.077 19.960 31.032
81 H ARG 13 HN ARG 13 20.490 19.873 28.471
82 HA ARG 13 HA ARG 13 20.256 19.662 25.496
83 1HB ARG 13 HB2 ARG 13 18.170 19.624 27.709
84 2HB ARG 13 HB1 ARG 13 17.907 19.169 26.028
85 1HG ARG 13 HG2 ARG 13 20.138 17.705 27.293
86 2HG ARG 13 HG1 ARG 13 18.574 17.420 28.056
87 1HD ARG 13 HD2 ARG 13 18.534 15.810 26.364
88 2HD ARG 13 HD1 ARG 13 17.744 17.167 25.533
89 HE ARG 13 HE ARG 13 20.513 17.542 25.153
90 1HH1 ARG 13 HH21 ARG 13 18.097 16.706 23.242
91 2HH1 ARG 13 HH22 ARG 13 18.876 15.435 22.362
92 1HH2 ARG 13 HH11 ARG 13 21.572 15.229 24.570
93 2HH2 ARG 13 HH12 ARG 13 20.862 14.588 23.127
94 H TRP 14 HN TRP 14 20.309 21.959 27.999
95 HA TRP 14 HA TRP 14 18.481 23.946 26.890
96 1HB TRP 14 HB2 TRP 14 18.974 23.701 29.273
97 2HB TRP 14 HB1 TRP 14 20.685 23.984 28.967
98 HD1 TRP 14 HD1 TRP 14 17.450 25.738 29.517
99 HE1 TRP 14 HE1 TRP 14 17.795 28.299 29.448
100 HE3 TRP 14 HE3 TRP 14 22.197 25.926 27.682
101 HZ2 TRP 14 HZ2 TRP 14 19.832 30.165 28.684
102 HZ3 TRP 14 HZ3 TRP 14 23.316 28.075 27.299
103 HH2 TRP 14 HH2 TRP 14 22.149 30.212 27.796
104 H CYS 15 HN CYS 15 21.938 23.223 26.511
105 HA CYS 15 HA CYS 15 22.409 25.931 25.478
106 1HB CYS 15 HB2 CYS 15 24.235 23.514 25.245
107 2HB CYS 15 HB1 CYS 15 24.691 25.214 25.331
108 H ARG 16 HN ARG 16 20.487 25.310 23.903
109 HA ARG 16 HA ARG 16 21.715 24.638 21.264
110 1HB ARG 16 HB2 ARG 16 18.968 23.629 22.012
111 2HB ARG 16 HB1 ARG 16 20.068 23.019 20.782
112 1HG ARG 16 HG2 ARG 16 20.804 22.854 23.707
113 2HG ARG 16 HG1 ARG 16 19.772 21.638 22.964
114 1HD ARG 16 HD2 ARG 16 22.014 22.107 21.206
115 2HD ARG 16 HD1 ARG 16 22.612 21.775 22.845
116 HE ARG 16 HE ARG 16 21.397 19.662 22.822
117 1HH1 ARG 16 HH21 ARG 16 22.948 19.471 20.273
118 2HH1 ARG 16 HH22 ARG 16 21.734 19.008 19.134
119 1HH2 ARG 16 HH11 ARG 16 19.081 19.997 21.177
120 2HH2 ARG 16 HH12 ARG 16 19.530 19.347 19.636
121 H ASP 17 HN ASP 17 18.605 25.605 22.794
122 HA ASP 17 HA ASP 17 17.997 27.451 20.561
123 1HB ASP 17 HB2 ASP 17 16.590 26.406 23.025
124 2HB ASP 17 HB1 ASP 17 15.891 27.710 22.069
125 H HIS 18 HN HIS 18 20.164 27.975 22.788
126 HA HIS 18 HA HIS 18 19.308 30.785 23.308
127 1HB HIS 18 HB2 HIS 18 20.707 29.388 25.546
128 2HB HIS 18 HB1 HIS 18 19.459 30.620 25.611
129 HD1 HIS 18 HD1 HIS 18 19.529 27.014 24.369
130 HD2 HIS 18 HD2 HIS 18 17.292 29.449 26.836
131 HE1 HIS 18 HE1 HIS 18 17.659 25.594 25.242
132 H SER 19 HN SER 19 21.976 28.490 24.011
133 HA SER 19 HA SER 19 23.971 30.606 23.521
134 1HB SER 19 HB2 SER 19 25.481 28.564 24.080
135 2HB SER 19 HB1 SER 19 24.440 29.184 25.351
136 HG SER 19 HG SER 19 23.775 27.054 23.581
137 H ARG 20 HN ARG 20 24.453 30.995 21.371
138 HA ARG 20 HA ARG 20 24.039 29.038 19.264
139 1HB ARG 20 HB2 ARG 20 25.363 31.746 19.516
140 2HB ARG 20 HB1 ARG 20 25.387 30.856 17.993
141 1HG ARG 20 HG2 ARG 20 23.098 31.039 17.682
142 2HG ARG 20 HG1 ARG 20 22.764 31.176 19.408
143 1HD ARG 20 HD2 ARG 20 23.253 33.458 19.461
144 2HD ARG 20 HD1 ARG 20 24.330 33.360 18.050
145 HE ARG 20 HE ARG 20 21.370 32.928 17.779
146 1HH1 ARG 20 HH21 ARG 20 23.031 35.646 17.577
147 2HH1 ARG 20 HH22 ARG 20 22.987 35.858 15.859
148 1HH2 ARG 20 HH11 ARG 20 21.861 32.611 15.247
149 2HH2 ARG 20 HH12 ARG 20 22.317 34.120 14.526
150 H CYS 21 HN CYS 21 25.500 27.574 20.913
151 HA CYS 21 HA CYS 21 28.160 27.338 19.590
152 1HB CYS 21 HB2 CYS 21 27.716 27.349 22.598
153 2HB CYS 21 HB1 CYS 21 29.265 27.217 21.770
154 H CYS 22 HN CYS 22 26.227 25.653 18.892
155 HA CYS 22 HA CYS 22 27.022 23.088 20.100
156 1HB CYS 22 HB2 CYS 22 25.063 24.291 21.416
157 2HB CYS 22 HB1 CYS 22 24.076 23.750 20.069
Start of MODEL 15
1 1H 5HP 1 HT1 5HP 1 32.004 33.996 29.268
2 2H 5HP 1 HT2 5HP 1 32.031 32.507 30.092
3 HA 5HP 1 HA 5HP 1 31.152 32.918 27.479
4 1HB 5HP 1 HB1 5HP 1 33.060 32.720 26.229
5 2HB 5HP 1 HB2 5HP 1 33.265 31.085 26.881
6 1HG 5HP 1 HG1 5HP 1 34.794 33.441 27.474
7 2HG 5HP 1 HG2 5HP 1 34.997 31.808 28.141
8 H ARG 2 HN ARG 2 30.213 30.836 26.714
9 HA ARG 2 HA ARG 2 30.180 28.743 28.869
10 1HB ARG 2 HB2 ARG 2 28.109 30.100 28.615
11 2HB ARG 2 HB1 ARG 2 27.987 29.577 26.936
12 1HG ARG 2 HG2 ARG 2 27.332 27.446 27.502
13 2HG ARG 2 HG1 ARG 2 28.267 27.439 28.997
14 1HD ARG 2 HD2 ARG 2 26.037 29.401 28.933
15 2HD ARG 2 HD1 ARG 2 25.548 27.694 28.926
16 HE ARG 2 HE ARG 2 27.622 28.551 30.888
17 1HH1 ARG 2 HH11 ARG 2 24.948 29.542 31.714
18 2HH1 ARG 2 HH12 ARG 2 24.326 28.234 32.659
19 1HH2 ARG 2 HH21 ARG 2 26.623 25.944 31.412
20 2HH2 ARG 2 HH22 ARG 2 25.272 26.166 32.470
21 H CYS 3 HN CYS 3 28.465 28.075 25.913
22 HA CYS 3 HA CYS 3 30.180 25.778 25.372
23 1HB CYS 3 HB2 CYS 3 27.922 26.964 23.730
24 2HB CYS 3 HB1 CYS 3 28.527 25.311 23.649
25 H CYS 4 HN CYS 4 31.861 27.990 25.082
26 HA CYS 4 HA CYS 4 32.542 27.781 22.200
27 1HB CYS 4 HB2 CYS 4 31.795 30.299 23.688
28 2HB CYS 4 HB1 CYS 4 32.804 30.346 22.248
29 H ASN 5 HN ASN 5 33.708 26.921 24.800
30 HA ASN 5 HA ASN 5 36.357 28.319 24.610
31 1HB ASN 5 HB2 ASN 5 34.503 27.776 26.841
32 2HB ASN 5 HB1 ASN 5 36.168 27.318 27.174
33 1HD2 ASN 5 HD21 ASN 5 35.644 30.022 24.942
34 2HD2 ASN 5 HD22 ASN 5 36.112 31.226 26.040
35 H GLY 6 HN GLY 6 35.566 25.954 23.153
36 1HA GLY 6 HA2 GLY 6 37.698 24.155 24.006
37 2HA GLY 6 HA1 GLY 6 36.093 23.451 24.207
38 H ARG 7 HN ARG 7 35.986 21.969 22.517
39 HA ARG 7 HA ARG 7 36.392 23.061 19.748
40 1HB ARG 7 HB2 ARG 7 37.772 20.964 21.191
41 2HB ARG 7 HB1 ARG 7 36.967 20.289 19.775
42 1HG ARG 7 HG2 ARG 7 38.939 20.977 18.796
43 2HG ARG 7 HG1 ARG 7 37.984 22.446 18.594
44 1HD ARG 7 HD2 ARG 7 39.087 22.678 21.172
45 2HD ARG 7 HD1 ARG 7 40.408 22.046 20.169
46 HE ARG 7 HE ARG 7 38.830 24.510 19.465
47 1HH1 ARG 7 HH11 ARG 7 40.598 22.787 17.517
48 2HH1 ARG 7 HH12 ARG 7 42.001 23.801 17.435
49 1HH2 ARG 7 HH21 ARG 7 41.104 25.717 20.195
50 2HH2 ARG 7 HH22 ARG 7 42.288 25.463 18.958
51 H ARG 8 HN ARG 8 33.864 22.634 21.378
52 HA ARG 8 HA ARG 8 32.544 20.685 19.512
53 1HB ARG 8 HB2 ARG 8 32.933 20.268 22.154
54 2HB ARG 8 HB1 ARG 8 31.399 21.136 22.225
55 1HG ARG 8 HG2 ARG 8 30.452 19.550 20.551
56 2HG ARG 8 HG1 ARG 8 31.970 18.651 20.571
57 1HD ARG 8 HD2 ARG 8 30.532 19.177 23.166
58 2HD ARG 8 HD1 ARG 8 30.004 17.843 22.119
59 HE ARG 8 HE ARG 8 32.908 18.055 22.733
60 1HH1 ARG 8 HH21 ARG 8 31.770 15.587 21.527
61 2HH1 ARG 8 HH22 ARG 8 31.578 14.544 22.897
62 1HH2 ARG 8 HH11 ARG 8 31.826 17.142 25.197
63 2HH2 ARG 8 HH12 ARG 8 31.596 15.438 24.998
64 H GLY 9 HN GLY 9 31.554 23.201 21.894
65 1HA GLY 9 HA2 GLY 9 30.312 25.189 21.479
66 2HA GLY 9 HA1 GLY 9 30.239 24.751 19.775
67 H CYS 10 HN CYS 10 28.968 22.479 19.581
68 HA CYS 10 HA CYS 10 26.266 23.030 20.649
69 1HB CYS 10 HB2 CYS 10 27.270 20.850 18.780
70 2HB CYS 10 HB1 CYS 10 25.604 21.385 18.981
71 H SER 11 HN SER 11 27.023 22.501 22.838
72 HA SER 11 HA SER 11 27.727 19.715 23.483
73 1HB SER 11 HB2 SER 11 28.586 21.831 24.616
74 2HB SER 11 HB1 SER 11 26.974 22.041 25.298
75 HG SER 11 HG SER 11 28.574 20.867 26.617
76 H SER 12 HN SER 12 24.919 21.894 23.911
77 HA SER 12 HA SER 12 23.199 19.474 24.288
78 1HB SER 12 HB2 SER 12 23.766 20.408 26.491
79 2HB SER 12 HB1 SER 12 23.327 22.021 25.954
80 HG SER 12 HG SER 12 21.684 19.786 26.499
81 H ARG 13 HN ARG 13 20.950 21.434 24.849
82 HA ARG 13 HA ARG 13 20.431 22.222 22.017
83 1HB ARG 13 HB2 ARG 13 18.786 20.864 23.288
84 2HB ARG 13 HB1 ARG 13 18.685 22.135 24.507
85 1HG ARG 13 HG2 ARG 13 16.797 22.309 22.952
86 2HG ARG 13 HG1 ARG 13 17.853 23.710 22.773
87 1HD ARG 13 HD2 ARG 13 18.807 22.850 20.741
88 2HD ARG 13 HD1 ARG 13 18.095 21.247 21.012
89 HE ARG 13 HE ARG 13 16.310 23.635 20.691
90 1HH1 ARG 13 HH11 ARG 13 15.672 20.573 20.992
91 2HH1 ARG 13 HH12 ARG 13 15.118 20.237 19.388
92 1HH2 ARG 13 HH21 ARG 13 16.397 23.198 18.073
93 2HH2 ARG 13 HH22 ARG 13 15.577 21.719 17.711
94 H TRP 14 HN TRP 14 21.410 23.540 25.034
95 HA TRP 14 HA TRP 14 20.336 26.231 24.672
96 1HB TRP 14 HB2 TRP 14 20.767 25.215 26.858
97 2HB TRP 14 HB1 TRP 14 22.470 25.014 26.450
98 HD1 TRP 14 HD1 TRP 14 20.013 27.442 27.786
99 HE1 TRP 14 HE1 TRP 14 21.156 29.706 28.294
100 HE3 TRP 14 HE3 TRP 14 24.493 26.676 25.516
101 HZ2 TRP 14 HZ2 TRP 14 23.658 31.009 27.767
102 HZ3 TRP 14 HZ3 TRP 14 26.233 28.399 25.522
103 HH2 TRP 14 HH2 TRP 14 25.830 30.579 26.645
104 H CYS 15 HN CYS 15 23.341 24.594 23.732
105 HA CYS 15 HA CYS 15 24.664 27.194 23.416
106 1HB CYS 15 HB2 CYS 15 25.574 24.522 22.309
107 2HB CYS 15 HB1 CYS 15 26.568 25.881 22.819
108 H ARG 16 HN ARG 16 22.576 27.612 21.958
109 HA ARG 16 HA ARG 16 23.507 27.423 19.129
110 1HB ARG 16 HB2 ARG 16 20.604 27.127 19.868
111 2HB ARG 16 HB1 ARG 16 21.435 26.606 18.405
112 1HG ARG 16 HG2 ARG 16 22.752 25.001 20.031
113 2HG ARG 16 HG1 ARG 16 21.393 25.280 21.123
114 1HD ARG 16 HD2 ARG 16 21.279 24.142 18.307
115 2HD ARG 16 HD1 ARG 16 20.856 23.315 19.822
116 HE ARG 16 HE ARG 16 18.933 24.835 20.052
117 1HH1 ARG 16 HH11 ARG 16 19.259 23.671 17.079
118 2HH1 ARG 16 HH12 ARG 16 18.618 25.022 16.205
119 1HH2 ARG 16 HH21 ARG 16 18.731 27.189 18.932
120 2HH2 ARG 16 HH22 ARG 16 18.334 27.018 17.252
121 H ASP 17 HN ASP 17 20.859 28.762 21.139
122 HA ASP 17 HA ASP 17 20.775 31.243 19.543
123 1HB ASP 17 HB2 ASP 17 19.246 30.088 21.893
124 2HB ASP 17 HB1 ASP 17 18.856 31.641 21.168
125 H HIS 18 HN HIS 18 23.096 30.524 21.520
126 HA HIS 18 HA HIS 18 23.172 33.191 22.840
127 1HB HIS 18 HB2 HIS 18 24.121 30.898 24.490
128 2HB HIS 18 HB1 HIS 18 23.308 32.371 24.992
129 HD1 HIS 18 HD1 HIS 18 22.259 29.352 22.896
130 HD2 HIS 18 HD2 HIS 18 20.920 31.617 26.063
131 HE1 HIS 18 HE1 HIS 18 20.042 28.386 23.555
132 H SER 19 HN SER 19 24.979 30.100 22.597
133 HA SER 19 HA SER 19 27.542 31.569 22.452
134 1HB SER 19 HB2 SER 19 28.264 29.037 22.197
135 2HB SER 19 HB1 SER 19 27.705 29.635 23.752
136 HG SER 19 HG SER 19 26.116 28.347 21.765
137 H ARG 20 HN ARG 20 28.149 32.338 20.452
138 HA ARG 20 HA ARG 20 26.986 31.439 17.962
139 1HB ARG 20 HB2 ARG 20 29.299 33.200 18.803
140 2HB ARG 20 HB1 ARG 20 28.980 32.878 17.099
141 1HG ARG 20 HG2 ARG 20 26.759 33.805 17.258
142 2HG ARG 20 HG1 ARG 20 26.880 33.923 19.013
143 1HD ARG 20 HD2 ARG 20 27.258 36.130 17.935
144 2HD ARG 20 HD1 ARG 20 28.723 35.577 18.769
145 HE ARG 20 HE ARG 20 28.552 34.712 15.962
146 1HH1 ARG 20 HH21 ARG 20 31.121 35.170 17.410
147 2HH1 ARG 20 HH22 ARG 20 31.662 36.676 16.751
148 1HH2 ARG 20 HH11 ARG 20 28.544 37.482 15.424
149 2HH2 ARG 20 HH12 ARG 20 30.192 37.986 15.582
150 H CYS 21 HN CYS 21 27.823 29.072 19.014
151 HA CYS 21 HA CYS 21 30.143 28.313 17.284
152 1HB CYS 21 HB2 CYS 21 29.644 27.482 20.167
153 2HB CYS 21 HB1 CYS 21 30.999 26.961 19.170
154 H CYS 22 HN CYS 22 27.496 27.968 16.514
155 HA CYS 22 HA CYS 22 27.243 25.055 16.315
156 1HB CYS 22 HB2 CYS 22 26.252 26.034 18.594
157 2HB CYS 22 HB1 CYS 22 24.882 26.437 17.560
Start of MODEL 16
1 1H 5HP 1 HT1 5HP 1 24.896 35.333 25.002
2 2H 5HP 1 HT2 5HP 1 24.909 34.712 26.585
3 HA 5HP 1 HA 5HP 1 25.598 33.292 24.326
4 1HB 5HP 1 HB1 5HP 1 27.753 33.935 23.890
5 2HB 5HP 1 HB2 5HP 1 28.204 33.231 25.452
6 1HG 5HP 1 HG1 5HP 1 28.106 36.006 24.721
7 2HG 5HP 1 HG2 5HP 1 28.524 35.306 26.300
8 H ARG 2 HN ARG 2 26.382 31.060 25.040
9 HA ARG 2 HA ARG 2 26.504 30.568 27.939
10 1HB ARG 2 HB2 ARG 2 24.026 30.800 26.888
11 2HB ARG 2 HB1 ARG 2 24.293 29.082 26.608
12 1HG ARG 2 HG2 ARG 2 25.259 29.507 29.185
13 2HG ARG 2 HG1 ARG 2 23.790 30.483 29.108
14 1HD ARG 2 HD2 ARG 2 22.439 28.579 28.537
15 2HD ARG 2 HD1 ARG 2 23.873 27.583 28.212
16 HE ARG 2 HE ARG 2 24.337 28.307 30.792
17 1HH1 ARG 2 HH21 ARG 2 23.377 25.560 30.298
18 2HH1 ARG 2 HH22 ARG 2 21.904 25.487 31.203
19 1HH2 ARG 2 HH11 ARG 2 21.611 28.949 31.467
20 2HH2 ARG 2 HH12 ARG 2 20.895 27.427 31.877
21 H CYS 3 HN CYS 3 25.305 28.168 25.598
22 HA CYS 3 HA CYS 3 27.592 26.444 26.247
23 1HB CYS 3 HB2 CYS 3 25.549 25.848 24.123
24 2HB CYS 3 HB1 CYS 3 26.315 24.749 25.267
25 H CYS 4 HN CYS 4 28.722 28.607 25.008
26 HA CYS 4 HA CYS 4 29.645 27.408 22.431
27 1HB CYS 4 HB2 CYS 4 28.278 30.056 22.832
28 2HB CYS 4 HB1 CYS 4 29.462 29.861 21.544
29 H ASN 5 HN ASN 5 30.833 27.878 25.145
30 HA ASN 5 HA ASN 5 33.192 29.515 24.290
31 1HB ASN 5 HB2 ASN 5 31.362 30.379 26.037
32 2HB ASN 5 HB1 ASN 5 32.311 29.395 27.148
33 1HD2 ASN 5 HD21 ASN 5 32.909 31.870 24.563
34 2HD2 ASN 5 HD22 ASN 5 34.173 32.630 25.402
35 H GLY 6 HN GLY 6 32.577 26.564 24.374
36 1HA GLY 6 HA2 GLY 6 34.898 25.771 26.087
37 2HA GLY 6 HA1 GLY 6 33.413 24.822 26.120
38 H ARG 7 HN ARG 7 33.062 23.317 24.480
39 HA ARG 7 HA ARG 7 34.938 23.325 22.152
40 1HB ARG 7 HB2 ARG 7 34.633 21.328 24.364
41 2HB ARG 7 HB1 ARG 7 34.957 20.710 22.743
42 1HG ARG 7 HG2 ARG 7 36.900 22.314 22.604
43 2HG ARG 7 HG1 ARG 7 36.630 22.699 24.304
44 1HD ARG 7 HD2 ARG 7 37.075 19.855 23.328
45 2HD ARG 7 HD1 ARG 7 38.394 20.899 23.893
46 HE ARG 7 HE ARG 7 36.043 20.118 25.584
47 1HH1 ARG 7 HH21 ARG 7 37.796 22.601 26.201
48 2HH1 ARG 7 HH22 ARG 7 38.847 21.947 27.411
49 1HH2 ARG 7 HH11 ARG 7 38.037 18.637 26.675
50 2HH2 ARG 7 HH12 ARG 7 38.980 19.679 27.685
51 H ARG 8 HN ARG 8 32.316 21.272 23.550
52 HA ARG 8 HA ARG 8 31.275 20.661 20.890
53 1HB ARG 8 HB2 ARG 8 30.373 20.118 23.736
54 2HB ARG 8 HB1 ARG 8 29.490 19.524 22.330
55 1HG ARG 8 HG2 ARG 8 32.390 18.990 22.230
56 2HG ARG 8 HG1 ARG 8 31.561 18.181 23.560
57 1HD ARG 8 HD2 ARG 8 30.223 16.905 22.131
58 2HD ARG 8 HD1 ARG 8 30.346 18.078 20.804
59 HE ARG 8 HE ARG 8 32.867 16.752 21.644
60 1HH1 ARG 8 HH21 ARG 8 31.184 14.680 20.411
61 2HH1 ARG 8 HH22 ARG 8 31.534 14.833 18.723
62 1HH2 ARG 8 HH11 ARG 8 32.919 18.010 19.045
63 2HH2 ARG 8 HH12 ARG 8 32.530 16.734 17.944
64 H GLY 9 HN GLY 9 29.224 21.809 23.579
65 1HA GLY 9 HA2 GLY 9 28.300 24.178 23.390
66 2HA GLY 9 HA1 GLY 9 28.096 23.831 21.674
67 H CYS 10 HN CYS 10 27.202 21.046 22.220
68 HA CYS 10 HA CYS 10 24.369 21.656 22.811
69 1HB CYS 10 HB2 CYS 10 25.980 19.511 21.502
70 2HB CYS 10 HB1 CYS 10 24.441 19.023 22.203
71 H SER 11 HN SER 11 24.901 22.081 25.045
72 HA SER 11 HA SER 11 25.796 19.896 26.794
73 1HB SER 11 HB2 SER 11 24.543 22.530 27.605
74 2HB SER 11 HB1 SER 11 25.778 21.601 28.457
75 HG SER 11 HG SER 11 27.111 22.869 27.418
76 H SER 12 HN SER 12 22.730 21.408 25.869
77 HA SER 12 HA SER 12 21.261 19.144 27.080
78 1HB SER 12 HB2 SER 12 21.502 20.832 28.879
79 2HB SER 12 HB1 SER 12 20.858 22.076 27.813
80 HG SER 12 HG SER 12 19.579 19.977 29.138
81 H ARG 13 HN ARG 13 18.771 20.845 26.809
82 HA ARG 13 HA ARG 13 18.450 20.579 23.849
83 1HB ARG 13 HB2 ARG 13 16.864 19.752 25.819
84 2HB ARG 13 HB1 ARG 13 16.298 21.422 25.784
85 1HG ARG 13 HG2 ARG 13 14.879 20.647 24.176
86 2HG ARG 13 HG1 ARG 13 16.277 20.837 23.118
87 1HD ARG 13 HD2 ARG 13 16.242 18.271 24.586
88 2HD ARG 13 HD1 ARG 13 14.897 18.480 23.447
89 HE ARG 13 HE ARG 13 17.759 18.903 22.618
90 1HH1 ARG 13 HH21 ARG 13 15.356 19.554 20.779
91 2HH1 ARG 13 HH22 ARG 13 15.303 18.121 19.810
92 1HH2 ARG 13 HH11 ARG 13 17.325 16.288 21.977
93 2HH2 ARG 13 HH12 ARG 13 16.415 16.247 20.504
94 H TRP 14 HN TRP 14 18.843 22.946 26.354
95 HA TRP 14 HA TRP 14 17.687 25.242 25.033
96 1HB TRP 14 HB2 TRP 14 18.144 25.107 27.440
97 2HB TRP 14 HB1 TRP 14 19.866 24.911 27.116
98 HD1 TRP 14 HD1 TRP 14 17.242 27.482 27.551
99 HE1 TRP 14 HE1 TRP 14 18.201 29.836 27.171
100 HE3 TRP 14 HE3 TRP 14 21.755 26.261 25.609
101 HZ2 TRP 14 HZ2 TRP 14 20.595 31.045 26.179
102 HZ3 TRP 14 HZ3 TRP 14 23.363 27.986 24.953
103 HH2 TRP 14 HH2 TRP 14 22.807 30.397 25.230
104 H CYS 15 HN CYS 15 20.912 23.714 24.874
105 HA CYS 15 HA CYS 15 21.973 26.076 23.471
106 1HB CYS 15 HB2 CYS 15 23.293 23.354 23.610
107 2HB CYS 15 HB1 CYS 15 24.047 24.944 23.584
108 H ARG 16 HN ARG 16 19.974 25.619 22.002
109 HA ARG 16 HA ARG 16 21.007 24.403 19.501
110 1HB ARG 16 HB2 ARG 16 18.209 23.857 20.537
111 2HB ARG 16 HB1 ARG 16 19.065 23.033 19.233
112 1HG ARG 16 HG2 ARG 16 20.774 22.310 21.024
113 2HG ARG 16 HG1 ARG 16 19.595 22.859 22.214
114 1HD ARG 16 HD2 ARG 16 19.534 20.360 21.593
115 2HD ARG 16 HD1 ARG 16 17.984 21.222 21.508
116 HE ARG 16 HE ARG 16 18.163 21.227 19.090
117 1HH1 ARG 16 HH21 ARG 16 21.366 21.160 19.561
118 2HH1 ARG 16 HH22 ARG 16 21.723 19.726 18.662
119 1HH2 ARG 16 HH11 ARG 16 18.387 18.759 18.386
120 2HH2 ARG 16 HH12 ARG 16 20.023 18.358 17.985
121 H ASP 17 HN ASP 17 18.272 26.140 21.017
122 HA ASP 17 HA ASP 17 17.747 27.674 18.524
123 1HB ASP 17 HB2 ASP 17 16.449 27.351 21.239
124 2HB ASP 17 HB1 ASP 17 15.872 28.543 20.075
125 H HIS 18 HN HIS 18 20.191 28.108 20.485
126 HA HIS 18 HA HIS 18 19.953 31.073 20.534
127 1HB HIS 18 HB2 HIS 18 21.067 29.871 23.022
128 2HB HIS 18 HB1 HIS 18 20.087 31.310 22.825
129 HD1 HIS 18 HD1 HIS 18 19.317 27.606 22.211
130 HD2 HIS 18 HD2 HIS 18 17.878 30.812 24.375
131 HE1 HIS 18 HE1 HIS 18 17.236 26.800 23.350
132 H SER 19 HN SER 19 22.005 28.259 21.391
133 HA SER 19 HA SER 19 24.460 29.828 20.974
134 1HB SER 19 HB2 SER 19 25.366 27.434 21.506
135 2HB SER 19 HB1 SER 19 24.534 28.316 22.760
136 HG SER 19 HG SER 19 23.477 26.317 21.034
137 H ARG 20 HN ARG 20 25.049 30.169 18.839
138 HA ARG 20 HA ARG 20 24.329 28.335 16.691
139 1HB ARG 20 HB2 ARG 20 25.701 29.913 15.341
140 2HB ARG 20 HB1 ARG 20 24.556 30.764 16.372
141 1HG ARG 20 HG2 ARG 20 26.220 31.554 17.801
142 2HG ARG 20 HG1 ARG 20 27.325 30.234 17.409
143 1HD ARG 20 HD2 ARG 20 27.797 31.182 15.224
144 2HD ARG 20 HD1 ARG 20 26.549 32.426 15.446
145 HE ARG 20 HE ARG 20 28.819 32.251 17.390
146 1HH1 ARG 20 HH11 ARG 20 26.516 34.349 17.099
147 2HH1 ARG 20 HH12 ARG 20 27.418 35.698 16.496
148 1HH2 ARG 20 HH21 ARG 20 30.211 33.785 15.687
149 2HH2 ARG 20 HH22 ARG 20 29.527 35.376 15.690
150 H CYS 21 HN CYS 21 25.598 26.729 18.484
151 HA CYS 21 HA CYS 21 28.135 26.014 17.082
152 1HB CYS 21 HB2 CYS 21 27.888 25.903 20.091
153 2HB CYS 21 HB1 CYS 21 29.352 25.925 19.117
154 H CYS 22 HN CYS 22 25.704 24.759 16.625
155 HA CYS 22 HA CYS 22 26.171 22.063 17.745
156 1HB CYS 22 HB2 CYS 22 24.047 23.957 18.577
157 2HB CYS 22 HB1 CYS 22 23.486 22.333 18.232
Start of MODEL 17
1 1H 5HP 1 HT1 5HP 1 28.572 33.975 26.989
2 2H 5HP 1 HT2 5HP 1 29.239 32.967 28.188
3 HA 5HP 1 HA 5HP 1 28.028 32.229 25.682
4 1HB 5HP 1 HB1 5HP 1 29.871 31.485 24.544
5 2HB 5HP 1 HB2 5HP 1 30.436 30.601 25.972
6 1HG 5HP 1 HG1 5HP 1 31.363 33.134 24.935
7 2HG 5HP 1 HG2 5HP 1 31.992 32.207 26.315
8 H ARG 2 HN ARG 2 27.765 29.703 25.826
9 HA ARG 2 HA ARG 2 27.855 28.747 28.648
10 1HB ARG 2 HB2 ARG 2 25.656 29.885 28.117
11 2HB ARG 2 HB1 ARG 2 25.375 28.640 26.899
12 1HG ARG 2 HG2 ARG 2 25.580 26.897 28.656
13 2HG ARG 2 HG1 ARG 2 25.799 28.161 29.865
14 1HD ARG 2 HD2 ARG 2 23.402 28.426 28.114
15 2HD ARG 2 HD1 ARG 2 23.373 27.116 29.309
16 HE ARG 2 HE ARG 2 23.976 29.967 30.060
17 1HH1 ARG 2 HH11 ARG 2 21.354 28.039 30.134
18 2HH1 ARG 2 HH12 ARG 2 21.183 27.934 31.855
19 1HH2 ARG 2 HH21 ARG 2 24.294 29.345 32.504
20 2HH2 ARG 2 HH22 ARG 2 22.849 28.694 33.203
21 H CYS 3 HN CYS 3 26.515 27.628 25.478
22 HA CYS 3 HA CYS 3 27.904 25.013 25.983
23 1HB CYS 3 HB2 CYS 3 25.452 25.806 24.406
24 2HB CYS 3 HB1 CYS 3 26.160 24.198 24.329
25 H CYS 4 HN CYS 4 29.388 27.210 24.753
26 HA CYS 4 HA CYS 4 30.041 25.864 22.176
27 1HB CYS 4 HB2 CYS 4 28.960 28.647 22.525
28 2HB CYS 4 HB1 CYS 4 30.060 28.288 21.197
29 H ASN 5 HN ASN 5 31.422 26.316 24.811
30 HA ASN 5 HA ASN 5 33.849 27.732 23.756
31 1HB ASN 5 HB2 ASN 5 32.209 28.507 25.852
32 2HB ASN 5 HB1 ASN 5 33.509 27.651 26.675
33 1HD2 ASN 5 HD21 ASN 5 33.245 30.464 26.990
34 2HD2 ASN 5 HD22 ASN 5 34.546 31.226 26.215
35 H GLY 6 HN GLY 6 33.092 24.868 23.724
36 1HA GLY 6 HA2 GLY 6 35.521 23.807 25.035
37 2HA GLY 6 HA1 GLY 6 33.981 23.070 25.480
38 H ARG 7 HN ARG 7 35.213 21.137 24.477
39 HA ARG 7 HA ARG 7 35.245 21.151 21.505
40 1HB ARG 7 HB2 ARG 7 36.084 19.159 23.637
41 2HB ARG 7 HB1 ARG 7 36.281 18.879 21.906
42 1HG ARG 7 HG2 ARG 7 37.716 20.837 21.704
43 2HG ARG 7 HG1 ARG 7 37.433 21.256 23.394
44 1HD ARG 7 HD2 ARG 7 38.731 19.464 24.197
45 2HD ARG 7 HD1 ARG 7 38.581 18.555 22.679
46 HE ARG 7 HE ARG 7 40.156 20.103 21.636
47 1HH1 ARG 7 HH21 ARG 7 41.430 19.298 24.324
48 2HH1 ARG 7 HH22 ARG 7 42.022 20.829 24.875
49 1HH2 ARG 7 HH11 ARG 7 40.116 22.669 22.616
50 2HH2 ARG 7 HH12 ARG 7 41.281 22.749 23.895
51 H ARG 8 HN ARG 8 32.602 21.187 23.017
52 HA ARG 8 HA ARG 8 31.465 18.720 21.768
53 1HB ARG 8 HB2 ARG 8 31.758 19.281 24.543
54 2HB ARG 8 HB1 ARG 8 30.038 19.417 24.180
55 1HG ARG 8 HG2 ARG 8 30.332 17.123 24.667
56 2HG ARG 8 HG1 ARG 8 30.316 17.186 22.906
57 1HD ARG 8 HD2 ARG 8 32.180 15.774 23.543
58 2HD ARG 8 HD1 ARG 8 32.874 17.317 23.010
59 HE ARG 8 HE ARG 8 33.004 17.965 25.438
60 1HH1 ARG 8 HH11 ARG 8 34.996 15.863 25.112
61 2HH1 ARG 8 HH12 ARG 8 34.574 14.708 26.331
62 1HH2 ARG 8 HH21 ARG 8 31.347 15.939 26.751
63 2HH2 ARG 8 HH22 ARG 8 32.500 14.755 27.262
64 H GLY 9 HN GLY 9 29.697 21.135 23.723
65 1HA GLY 9 HA2 GLY 9 28.603 23.101 22.655
66 2HA GLY 9 HA1 GLY 9 28.479 22.145 21.178
67 H CYS 10 HN CYS 10 27.400 19.797 21.956
68 HA CYS 10 HA CYS 10 24.670 20.558 22.820
69 1HB CYS 10 HB2 CYS 10 25.804 17.889 21.893
70 2HB CYS 10 HB1 CYS 10 24.104 18.349 21.938
71 H SER 11 HN SER 11 25.519 20.984 25.008
72 HA SER 11 HA SER 11 26.464 18.738 26.652
73 1HB SER 11 HB2 SER 11 25.552 21.538 27.420
74 2HB SER 11 HB1 SER 11 26.599 20.474 28.361
75 HG SER 11 HG SER 11 28.193 21.242 27.245
76 H SER 12 HN SER 12 23.393 20.425 26.087
77 HA SER 12 HA SER 12 21.973 18.295 27.584
78 1HB SER 12 HB2 SER 12 22.547 20.039 29.240
79 2HB SER 12 HB1 SER 12 21.828 21.274 28.210
80 HG SER 12 HG SER 12 20.640 19.736 30.026
81 H ARG 13 HN ARG 13 19.575 20.168 27.566
82 HA ARG 13 HA ARG 13 18.852 19.786 24.693
83 1HB ARG 13 HB2 ARG 13 17.582 19.366 27.174
84 2HB ARG 13 HB1 ARG 13 16.770 20.769 26.479
85 1HG ARG 13 HG2 ARG 13 15.647 18.712 25.746
86 2HG ARG 13 HG1 ARG 13 16.414 19.506 24.373
87 1HD ARG 13 HD2 ARG 13 18.381 17.769 25.479
88 2HD ARG 13 HD1 ARG 13 16.877 16.833 25.370
89 HE ARG 13 HE ARG 13 17.209 18.385 22.963
90 1HH1 ARG 13 HH11 ARG 13 19.975 17.279 23.266
91 2HH1 ARG 13 HH12 ARG 13 19.849 15.744 22.470
92 1HH2 ARG 13 HH21 ARG 13 16.368 15.717 22.540
93 2HH2 ARG 13 HH22 ARG 13 17.789 14.857 22.047
94 H TRP 14 HN TRP 14 19.774 22.222 26.942
95 HA TRP 14 HA TRP 14 18.424 24.497 25.686
96 1HB TRP 14 HB2 TRP 14 19.044 24.414 28.052
97 2HB TRP 14 HB1 TRP 14 20.740 24.202 27.617
98 HD1 TRP 14 HD1 TRP 14 18.091 26.785 28.030
99 HE1 TRP 14 HE1 TRP 14 19.052 29.143 27.583
100 HE3 TRP 14 HE3 TRP 14 22.598 25.500 26.083
101 HZ2 TRP 14 HZ2 TRP 14 21.444 30.303 26.514
102 HZ3 TRP 14 HZ3 TRP 14 24.196 27.204 25.359
103 HH2 TRP 14 HH2 TRP 14 23.645 29.622 25.568
104 H CYS 15 HN CYS 15 21.491 22.805 25.183
105 HA CYS 15 HA CYS 15 22.572 25.131 23.732
106 1HB CYS 15 HB2 CYS 15 23.732 22.345 23.635
107 2HB CYS 15 HB1 CYS 15 24.573 23.889 23.698
108 H ARG 16 HN ARG 16 20.369 24.809 22.430
109 HA ARG 16 HA ARG 16 21.112 23.453 19.875
110 1HB ARG 16 HB2 ARG 16 18.332 23.335 21.071
111 2HB ARG 16 HB1 ARG 16 19.012 22.355 19.776
112 1HG ARG 16 HG2 ARG 16 20.728 21.584 21.629
113 2HG ARG 16 HG1 ARG 16 19.480 22.130 22.750
114 1HD ARG 16 HD2 ARG 16 18.687 20.005 22.462
115 2HD ARG 16 HD1 ARG 16 17.987 20.671 20.974
116 HE ARG 16 HE ARG 16 20.753 19.504 20.963
117 1HH1 ARG 16 HH21 ARG 16 18.793 20.715 18.704
118 2HH1 ARG 16 HH22 ARG 16 18.511 19.265 17.807
119 1HH2 ARG 16 HH11 ARG 16 19.803 17.170 20.267
120 2HH2 ARG 16 HH12 ARG 16 19.098 17.251 18.688
121 H ASP 17 HN ASP 17 18.613 25.530 21.429
122 HA ASP 17 HA ASP 17 18.236 27.035 18.898
123 1HB ASP 17 HB2 ASP 17 16.857 26.635 21.514
124 2HB ASP 17 HB1 ASP 17 16.552 28.152 20.672
125 H HIS 18 HN HIS 18 20.673 27.304 20.908
126 HA HIS 18 HA HIS 18 20.628 30.294 20.935
127 1HB HIS 18 HB2 HIS 18 21.845 28.996 23.316
128 2HB HIS 18 HB1 HIS 18 20.910 30.471 23.209
129 HD1 HIS 18 HD1 HIS 18 19.953 26.801 22.612
130 HD2 HIS 18 HD2 HIS 18 18.787 30.064 24.861
131 HE1 HIS 18 HE1 HIS 18 17.909 26.089 23.867
132 H SER 19 HN SER 19 22.621 27.439 21.757
133 HA SER 19 HA SER 19 25.080 28.884 21.013
134 1HB SER 19 HB2 SER 19 25.239 26.009 21.614
135 2HB SER 19 HB1 SER 19 26.086 27.354 22.362
136 HG SER 19 HG SER 19 23.987 27.808 23.405
137 H ARG 20 HN ARG 20 25.737 28.872 18.884
138 HA ARG 20 HA ARG 20 24.618 27.059 16.896
139 1HB ARG 20 HB2 ARG 20 26.283 28.226 15.424
140 2HB ARG 20 HB1 ARG 20 25.301 29.351 16.358
141 1HG ARG 20 HG2 ARG 20 27.071 29.866 17.828
142 2HG ARG 20 HG1 ARG 20 27.968 28.407 17.406
143 1HD ARG 20 HD2 ARG 20 28.019 29.467 14.994
144 2HD ARG 20 HD1 ARG 20 27.718 30.981 15.868
145 HE ARG 20 HE ARG 20 30.214 29.537 15.879
146 1HH1 ARG 20 HH21 ARG 20 29.665 32.447 16.645
147 2HH1 ARG 20 HH22 ARG 20 30.143 32.448 18.310
148 1HH2 ARG 20 HH11 ARG 20 30.113 28.977 18.571
149 2HH2 ARG 20 HH12 ARG 20 30.404 30.463 19.409
150 H CYS 21 HN CYS 21 25.540 25.309 18.709
151 HA CYS 21 HA CYS 21 27.925 24.073 17.408
152 1HB CYS 21 HB2 CYS 21 27.521 24.340 20.407
153 2HB CYS 21 HB1 CYS 21 28.931 23.680 19.589
154 H CYS 22 HN CYS 22 25.472 23.173 16.773
155 HA CYS 22 HA CYS 22 25.351 20.492 17.918
156 1HB CYS 22 HB2 CYS 22 24.114 22.419 19.398
157 2HB CYS 22 HB1 CYS 22 22.800 21.985 18.308
Start of MODEL 18
1 1H 5HP 1 HT1 5HP 1 28.582 34.588 31.073
2 2H 5HP 1 HT2 5HP 1 28.762 33.133 31.942
3 HA 5HP 1 HA 5HP 1 26.699 33.732 30.182
4 1HB 5HP 1 HB1 5HP 1 27.567 33.240 28.133
5 2HB 5HP 1 HB2 5HP 1 27.731 31.561 28.671
6 1HG 5HP 1 HG1 5HP 1 29.809 33.461 28.169
7 2HG 5HP 1 HG2 5HP 1 29.983 31.803 28.786
8 H ARG 2 HN ARG 2 25.873 31.137 29.479
9 HA ARG 2 HA ARG 2 25.824 29.787 32.156
10 1HB ARG 2 HB2 ARG 2 23.682 30.692 31.268
11 2HB ARG 2 HB1 ARG 2 23.881 29.713 29.815
12 1HG ARG 2 HG2 ARG 2 23.552 27.691 30.976
13 2HG ARG 2 HG1 ARG 2 23.897 28.428 32.542
14 1HD ARG 2 HD2 ARG 2 21.532 29.345 30.900
15 2HD ARG 2 HD1 ARG 2 21.408 27.938 31.971
16 HE ARG 2 HE ARG 2 22.664 29.971 33.488
17 1HH1 ARG 2 HH11 ARG 2 20.877 31.870 32.141
18 2HH1 ARG 2 HH12 ARG 2 19.428 31.793 33.082
19 1HH2 ARG 2 HH21 ARG 2 20.262 28.770 34.583
20 2HH2 ARG 2 HH22 ARG 2 19.075 30.027 34.474
21 H CYS 3 HN CYS 3 25.011 28.448 28.934
22 HA CYS 3 HA CYS 3 26.740 26.112 29.549
23 1HB CYS 3 HB2 CYS 3 24.787 26.704 27.307
24 2HB CYS 3 HB1 CYS 3 25.538 25.143 27.621
25 H CYS 4 HN CYS 4 28.441 28.231 29.047
26 HA CYS 4 HA CYS 4 29.620 27.426 26.434
27 1HB CYS 4 HB2 CYS 4 28.584 30.146 27.203
28 2HB CYS 4 HB1 CYS 4 29.925 30.001 26.072
29 H ASN 5 HN ASN 5 30.289 27.268 29.414
30 HA ASN 5 HA ASN 5 32.933 28.691 29.333
31 1HB ASN 5 HB2 ASN 5 30.848 28.903 31.129
32 2HB ASN 5 HB1 ASN 5 31.900 27.727 31.914
33 1HD2 ASN 5 HD21 ASN 5 31.372 31.032 31.707
34 2HD2 ASN 5 HD22 ASN 5 32.932 31.576 32.094
35 H GLY 6 HN GLY 6 32.245 25.996 28.260
36 1HA GLY 6 HA2 GLY 6 34.353 24.480 29.691
37 2HA GLY 6 HA1 GLY 6 32.769 23.713 29.555
38 H ARG 7 HN ARG 7 33.608 22.026 28.194
39 HA ARG 7 HA ARG 7 34.673 22.890 25.530
40 1HB ARG 7 HB2 ARG 7 35.033 20.625 27.392
41 2HB ARG 7 HB1 ARG 7 34.908 20.145 25.699
42 1HG ARG 7 HG2 ARG 7 36.628 22.496 26.208
43 2HG ARG 7 HG1 ARG 7 37.220 20.972 26.872
44 1HD ARG 7 HD2 ARG 7 37.404 19.958 24.767
45 2HD ARG 7 HD1 ARG 7 36.215 21.048 24.025
46 HE ARG 7 HE ARG 7 38.550 22.479 25.039
47 1HH1 ARG 7 HH21 ARG 7 36.925 23.075 22.533
48 2HH1 ARG 7 HH22 ARG 7 38.084 22.731 21.295
49 1HH2 ARG 7 HH11 ARG 7 40.188 20.960 23.423
50 2HH2 ARG 7 HH12 ARG 7 39.945 21.518 21.803
51 H ARG 8 HN ARG 8 31.997 21.066 27.038
52 HA ARG 8 HA ARG 8 31.008 20.055 24.471
53 1HB ARG 8 HB2 ARG 8 30.821 19.066 26.881
54 2HB ARG 8 HB1 ARG 8 29.465 20.180 27.065
55 1HG ARG 8 HG2 ARG 8 28.123 18.826 25.874
56 2HG ARG 8 HG1 ARG 8 29.258 18.825 24.521
57 1HD ARG 8 HD2 ARG 8 29.482 16.596 25.016
58 2HD ARG 8 HD1 ARG 8 30.540 17.165 26.323
59 HE ARG 8 HE ARG 8 27.685 17.209 27.015
60 1HH1 ARG 8 HH11 ARG 8 28.432 14.373 26.245
61 2HH1 ARG 8 HH12 ARG 8 28.923 13.717 27.771
62 1HH2 ARG 8 HH21 ARG 8 29.292 16.825 29.287
63 2HH2 ARG 8 HH22 ARG 8 29.408 15.113 29.510
64 H GLY 9 HN GLY 9 29.617 22.384 26.869
65 1HA GLY 9 HA2 GLY 9 28.496 24.438 26.322
66 2HA GLY 9 HA1 GLY 9 28.552 23.983 24.618
67 H CYS 10 HN CYS 10 27.386 21.471 24.682
68 HA CYS 10 HA CYS 10 24.547 22.124 25.215
69 1HB CYS 10 HB2 CYS 10 25.764 19.575 24.080
70 2HB CYS 10 HB1 CYS 10 24.150 20.217 23.797
71 H SER 11 HN SER 11 25.037 22.117 27.555
72 HA SER 11 HA SER 11 25.787 19.615 28.903
73 1HB SER 11 HB2 SER 11 24.693 22.228 30.000
74 2HB SER 11 HB1 SER 11 25.643 21.039 30.877
75 HG SER 11 HG SER 11 27.366 21.982 30.114
76 H SER 12 HN SER 12 22.811 21.643 28.709
77 HA SER 12 HA SER 12 21.267 19.239 29.651
78 1HB SER 12 HB2 SER 12 19.931 20.772 30.906
79 2HB SER 12 HB1 SER 12 21.559 21.419 31.073
80 HG SER 12 HG SER 12 20.289 23.112 30.478
81 H ARG 13 HN ARG 13 18.797 20.881 29.004
82 HA ARG 13 HA ARG 13 18.765 20.383 26.056
83 1HB ARG 13 HB2 ARG 13 16.467 20.826 28.009
84 2HB ARG 13 HB1 ARG 13 16.339 20.207 26.365
85 1HG ARG 13 HG2 ARG 13 17.528 18.846 28.788
86 2HG ARG 13 HG1 ARG 13 16.202 18.288 27.771
87 1HD ARG 13 HD2 ARG 13 19.121 18.511 26.925
88 2HD ARG 13 HD1 ARG 13 18.240 17.004 27.241
89 HE ARG 13 HE ARG 13 17.711 18.858 24.963
90 1HH1 ARG 13 HH21 ARG 13 18.452 15.752 25.323
91 2HH1 ARG 13 HH22 ARG 13 17.002 15.064 24.668
92 1HH2 ARG 13 HH11 ARG 13 15.277 18.094 24.688
93 2HH2 ARG 13 HH12 ARG 13 15.186 16.408 24.308
94 H TRP 14 HN TRP 14 18.819 22.825 28.452
95 HA TRP 14 HA TRP 14 17.505 24.952 26.915
96 1HB TRP 14 HB2 TRP 14 17.390 24.905 29.323
97 2HB TRP 14 HB1 TRP 14 19.136 24.738 29.456
98 HD1 TRP 14 HD1 TRP 14 16.426 27.213 29.223
99 HE1 TRP 14 HE1 TRP 14 17.382 29.616 29.211
100 HE3 TRP 14 HE3 TRP 14 21.315 26.154 28.467
101 HZ2 TRP 14 HZ2 TRP 14 19.941 30.899 28.857
102 HZ3 TRP 14 HZ3 TRP 14 22.993 27.911 28.285
103 HH2 TRP 14 HH2 TRP 14 22.331 30.315 28.473
104 H CYS 15 HN CYS 15 20.715 23.597 27.092
105 HA CYS 15 HA CYS 15 21.927 26.136 26.271
106 1HB CYS 15 HB2 CYS 15 23.168 23.366 26.163
107 2HB CYS 15 HB1 CYS 15 23.977 24.905 26.430
108 H ARG 16 HN ARG 16 20.097 25.912 24.451
109 HA ARG 16 HA ARG 16 21.510 25.033 21.971
110 1HB ARG 16 HB2 ARG 16 18.545 24.635 22.334
111 2HB ARG 16 HB1 ARG 16 19.633 23.817 21.220
112 1HG ARG 16 HG2 ARG 16 20.743 22.785 23.289
113 2HG ARG 16 HG1 ARG 16 19.364 23.396 24.209
114 1HD ARG 16 HD2 ARG 16 18.090 21.639 23.516
115 2HD ARG 16 HD1 ARG 16 18.407 22.049 21.822
116 HE ARG 16 HE ARG 16 20.048 20.199 23.485
117 1HH1 ARG 16 HH21 ARG 16 21.184 22.195 21.235
118 2HH1 ARG 16 HH22 ARG 16 21.446 21.038 19.972
119 1HH2 ARG 16 HH11 ARG 16 19.617 18.528 21.535
120 2HH2 ARG 16 HH12 ARG 16 20.554 18.960 20.143
121 H ASP 17 HN ASP 17 18.526 26.639 23.132
122 HA ASP 17 HA ASP 17 18.533 28.543 20.861
123 1HB ASP 17 HB2 ASP 17 16.748 28.474 23.315
124 2HB ASP 17 HB1 ASP 17 16.367 29.134 21.735
125 H HIS 18 HN HIS 18 20.585 28.629 23.273
126 HA HIS 18 HA HIS 18 20.340 31.565 23.713
127 1HB HIS 18 HB2 HIS 18 20.989 30.004 26.154
128 2HB HIS 18 HB1 HIS 18 19.963 31.414 25.978
129 HD1 HIS 18 HD1 HIS 18 19.669 27.779 24.781
130 HD2 HIS 18 HD2 HIS 18 17.447 30.628 26.749
131 HE1 HIS 18 HE1 HIS 18 17.393 26.778 25.156
132 H SER 19 HN SER 19 22.274 28.636 24.447
133 HA SER 19 HA SER 19 24.733 30.232 24.775
134 1HB SER 19 HB2 SER 19 25.504 27.628 24.917
135 2HB SER 19 HB1 SER 19 24.786 28.470 26.262
136 HG SER 19 HG SER 19 23.554 26.784 24.356
137 H ARG 20 HN ARG 20 25.569 30.971 22.831
138 HA ARG 20 HA ARG 20 25.312 29.531 20.319
139 1HB ARG 20 HB2 ARG 20 26.811 31.941 21.342
140 2HB ARG 20 HB1 ARG 20 27.102 31.343 19.709
141 1HG ARG 20 HG2 ARG 20 24.476 31.371 19.535
142 2HG ARG 20 HG1 ARG 20 24.590 32.521 20.869
143 1HD ARG 20 HD2 ARG 20 24.754 33.998 19.077
144 2HD ARG 20 HD1 ARG 20 26.472 33.588 19.259
145 HE ARG 20 HE ARG 20 25.684 31.589 17.607
146 1HH1 ARG 20 HH21 ARG 20 23.237 32.952 16.732
147 2HH1 ARG 20 HH22 ARG 20 23.771 33.930 15.408
148 1HH2 ARG 20 HH11 ARG 20 27.127 33.733 16.298
149 2HH2 ARG 20 HH12 ARG 20 25.992 34.379 15.163
150 H CYS 21 HN CYS 21 26.318 27.634 21.921
151 HA CYS 21 HA CYS 21 29.094 27.221 20.915
152 1HB CYS 21 HB2 CYS 21 28.269 26.649 23.774
153 2HB CYS 21 HB1 CYS 21 29.898 26.683 23.111
154 H CYS 22 HN CYS 22 26.506 26.139 20.102
155 HA CYS 22 HA CYS 22 26.968 23.239 20.707
156 1HB CYS 22 HB2 CYS 22 24.611 24.992 21.288
157 2HB CYS 22 HB1 CYS 22 24.256 23.373 20.705
Start of MODEL 19
1 1H 5HP 1 HT1 5HP 1 31.507 31.218 26.589
2 2H 5HP 1 HT2 5HP 1 31.011 29.584 26.594
3 HA 5HP 1 HA 5HP 1 29.835 31.557 28.083
4 1HB 5HP 1 HB1 5HP 1 28.603 32.761 26.578
5 2HB 5HP 1 HB2 5HP 1 27.586 31.322 26.387
6 1HG 5HP 1 HG1 5HP 1 29.391 32.472 24.480
7 2HG 5HP 1 HG2 5HP 1 28.424 30.988 24.314
8 H ARG 2 HN ARG 2 28.540 29.007 25.910
9 HA ARG 2 HA ARG 2 28.065 27.265 28.268
10 1HB ARG 2 HB2 ARG 2 26.053 28.720 27.861
11 2HB ARG 2 HB1 ARG 2 25.931 28.029 26.244
12 1HG ARG 2 HG2 ARG 2 25.135 26.022 27.009
13 2HG ARG 2 HG1 ARG 2 26.113 26.075 28.475
14 1HD ARG 2 HD2 ARG 2 23.993 28.150 28.296
15 2HD ARG 2 HD1 ARG 2 23.423 26.478 28.476
16 HE ARG 2 HE ARG 2 24.504 26.367 30.616
17 1HH1 ARG 2 HH11 ARG 2 23.634 29.213 30.899
18 2HH1 ARG 2 HH12 ARG 2 25.103 30.007 31.355
19 1HH2 ARG 2 HH21 ARG 2 27.137 27.383 30.305
20 2HH2 ARG 2 HH22 ARG 2 27.106 28.966 31.008
21 H CYS 3 HN CYS 3 27.030 27.256 24.832
22 HA CYS 3 HA CYS 3 28.486 24.648 24.545
23 1HB CYS 3 HB2 CYS 3 25.893 25.751 23.492
24 2HB CYS 3 HB1 CYS 3 26.721 24.471 22.608
25 H CYS 4 HN CYS 4 29.279 27.657 23.942
26 HA CYS 4 HA CYS 4 30.008 27.216 21.056
27 1HB CYS 4 HB2 CYS 4 29.266 29.557 22.741
28 2HB CYS 4 HB1 CYS 4 30.427 29.835 21.452
29 H ASN 5 HN ASN 5 31.368 26.827 24.017
30 HA ASN 5 HA ASN 5 34.063 27.740 23.067
31 1HB ASN 5 HB2 ASN 5 34.549 28.038 25.497
32 2HB ASN 5 HB1 ASN 5 33.263 29.073 24.899
33 1HD2 ASN 5 HD21 ASN 5 33.830 26.054 26.751
34 2HD2 ASN 5 HD22 ASN 5 32.343 26.105 27.570
35 H GLY 6 HN GLY 6 32.865 25.219 22.568
36 1HA GLY 6 HA2 GLY 6 34.920 23.448 23.719
37 2HA GLY 6 HA1 GLY 6 33.255 23.004 24.104
38 H ARG 7 HN ARG 7 34.837 21.256 22.632
39 HA ARG 7 HA ARG 7 34.430 21.596 19.761
40 1HB ARG 7 HB2 ARG 7 35.424 19.328 19.686
41 2HB ARG 7 HB1 ARG 7 36.351 20.399 20.734
42 1HG ARG 7 HG2 ARG 7 35.805 19.225 22.631
43 2HG ARG 7 HG1 ARG 7 34.172 18.879 22.063
44 1HD ARG 7 HD2 ARG 7 35.364 16.775 22.111
45 2HD ARG 7 HD1 ARG 7 35.222 17.242 20.405
46 HE ARG 7 HE ARG 7 37.642 18.281 21.705
47 1HH1 ARG 7 HH21 ARG 7 37.837 15.323 22.009
48 2HH1 ARG 7 HH22 ARG 7 38.603 14.848 20.531
49 1HH2 ARG 7 HH11 ARG 7 37.899 17.837 18.910
50 2HH2 ARG 7 HH12 ARG 7 38.639 16.278 18.767
51 H ARG 8 HN ARG 8 31.898 21.617 21.348
52 HA ARG 8 HA ARG 8 30.599 19.218 20.111
53 1HB ARG 8 HB2 ARG 8 28.902 19.754 22.135
54 2HB ARG 8 HB1 ARG 8 30.299 18.705 22.341
55 1HG ARG 8 HG2 ARG 8 30.817 21.598 22.761
56 2HG ARG 8 HG1 ARG 8 29.763 20.842 23.949
57 1HD ARG 8 HD2 ARG 8 32.275 19.391 23.172
58 2HD ARG 8 HD1 ARG 8 32.400 20.768 24.286
59 HE ARG 8 HE ARG 8 30.710 18.340 24.774
60 1HH1 ARG 8 HH21 ARG 8 30.198 21.202 25.993
61 2HH1 ARG 8 HH22 ARG 8 30.849 20.960 27.576
62 1HH2 ARG 8 HH11 ARG 8 32.454 17.991 26.733
63 2HH2 ARG 8 HH12 ARG 8 32.136 19.127 28.002
64 H GLY 9 HN GLY 9 29.613 22.419 21.471
65 1HA GLY 9 HA2 GLY 9 28.421 24.145 20.353
66 2HA GLY 9 HA1 GLY 9 28.383 23.133 18.914
67 H CYS 10 HN CYS 10 27.079 20.969 19.426
68 HA CYS 10 HA CYS 10 24.416 21.842 20.455
69 1HB CYS 10 HB2 CYS 10 25.115 19.452 18.716
70 2HB CYS 10 HB1 CYS 10 23.543 20.226 18.897
71 H SER 11 HN SER 11 25.252 21.413 22.636
72 HA SER 11 HA SER 11 26.005 18.675 23.397
73 1HB SER 11 HB2 SER 11 25.479 21.279 24.870
74 2HB SER 11 HB1 SER 11 26.005 19.802 25.681
75 HG SER 11 HG SER 11 27.842 19.809 24.316
76 H SER 12 HN SER 12 23.066 20.654 23.455
77 HA SER 12 HA SER 12 21.534 18.246 24.260
78 1HB SER 12 HB2 SER 12 22.158 19.302 26.372
79 2HB SER 12 HB1 SER 12 21.618 20.874 25.793
80 HG SER 12 HG SER 12 20.196 18.842 26.906
81 H ARG 13 HN ARG 13 19.236 20.129 24.853
82 HA ARG 13 HA ARG 13 18.482 20.675 22.015
83 1HB ARG 13 HB2 ARG 13 17.195 19.595 24.280
84 2HB ARG 13 HB1 ARG 13 16.460 21.180 24.046
85 1HG ARG 13 HG2 ARG 13 15.152 20.126 22.519
86 2HG ARG 13 HG1 ARG 13 16.558 20.258 21.465
87 1HD ARG 13 HD2 ARG 13 16.755 17.929 23.239
88 2HD ARG 13 HD1 ARG 13 15.313 17.865 22.203
89 HE ARG 13 HE ARG 13 18.079 18.338 21.119
90 1HH1 ARG 13 HH11 ARG 13 15.955 18.926 19.186
91 2HH1 ARG 13 HH12 ARG 13 15.673 17.404 18.411
92 1HH2 ARG 13 HH21 ARG 13 17.274 15.565 20.894
93 2HH2 ARG 13 HH22 ARG 13 16.420 15.486 19.390
94 H TRP 14 HN TRP 14 19.622 22.290 24.807
95 HA TRP 14 HA TRP 14 18.319 24.887 24.284
96 1HB TRP 14 HB2 TRP 14 18.790 24.097 26.556
97 2HB TRP 14 HB1 TRP 14 20.501 23.931 26.168
98 HD1 TRP 14 HD1 TRP 14 17.947 26.387 27.256
99 HE1 TRP 14 HE1 TRP 14 19.001 28.724 27.550
100 HE3 TRP 14 HE3 TRP 14 22.460 25.570 25.081
101 HZ2 TRP 14 HZ2 TRP 14 21.462 30.053 26.929
102 HZ3 TRP 14 HZ3 TRP 14 24.139 27.333 24.927
103 HH2 TRP 14 HH2 TRP 14 23.667 29.601 25.847
104 H CYS 15 HN CYS 15 21.407 23.331 23.469
105 HA CYS 15 HA CYS 15 22.605 25.955 22.908
106 1HB CYS 15 HB2 CYS 15 23.599 23.182 22.149
107 2HB CYS 15 HB1 CYS 15 24.565 24.644 22.320
108 H ARG 16 HN ARG 16 20.474 26.116 21.444
109 HA ARG 16 HA ARG 16 21.355 25.629 18.622
110 1HB ARG 16 HB2 ARG 16 18.460 25.467 19.454
111 2HB ARG 16 HB1 ARG 16 19.250 24.751 18.052
112 1HG ARG 16 HG2 ARG 16 20.481 23.203 19.606
113 2HG ARG 16 HG1 ARG 16 19.527 23.856 20.942
114 1HD ARG 16 HD2 ARG 16 17.947 22.293 20.434
115 2HD ARG 16 HD1 ARG 16 17.635 23.211 18.948
116 HE ARG 16 HE ARG 16 19.072 20.694 19.090
117 1HH1 ARG 16 HH21 ARG 16 17.708 22.683 16.887
118 2HH1 ARG 16 HH22 ARG 16 18.963 22.599 15.695
119 1HH2 ARG 16 HH11 ARG 16 21.244 21.068 17.836
120 2HH2 ARG 16 HH12 ARG 16 20.977 21.677 16.239
121 H ASP 17 HN ASP 17 18.763 27.277 20.510
122 HA ASP 17 HA ASP 17 18.869 29.587 18.648
123 1HB ASP 17 HB2 ASP 17 17.021 28.489 20.739
124 2HB ASP 17 HB1 ASP 17 16.884 30.192 20.302
125 H HIS 18 HN HIS 18 21.004 29.037 20.808
126 HA HIS 18 HA HIS 18 20.981 31.793 21.964
127 1HB HIS 18 HB2 HIS 18 21.971 29.584 23.714
128 2HB HIS 18 HB1 HIS 18 21.163 31.077 24.161
129 HD1 HIS 18 HD1 HIS 18 20.138 27.948 22.226
130 HD2 HIS 18 HD2 HIS 18 18.726 30.403 25.229
131 HE1 HIS 18 HE1 HIS 18 17.940 26.981 22.941
132 H SER 19 HN SER 19 22.878 28.756 21.829
133 HA SER 19 HA SER 19 25.402 30.275 21.680
134 1HB SER 19 HB2 SER 19 26.199 27.767 21.534
135 2HB SER 19 HB1 SER 19 25.532 28.366 23.044
136 HG SER 19 HG SER 19 24.170 26.921 20.998
137 H ARG 20 HN ARG 20 25.621 31.189 19.635
138 HA ARG 20 HA ARG 20 24.647 29.988 17.204
139 1HB ARG 20 HB2 ARG 20 26.033 31.817 16.160
140 2HB ARG 20 HB1 ARG 20 24.942 32.386 17.420
141 1HG ARG 20 HG2 ARG 20 26.662 32.863 18.888
142 2HG ARG 20 HG1 ARG 20 27.709 31.600 18.240
143 1HD ARG 20 HD2 ARG 20 27.288 33.440 16.114
144 2HD ARG 20 HD1 ARG 20 27.665 34.405 17.557
145 HE ARG 20 HE ARG 20 29.359 32.070 16.718
146 1HH1 ARG 20 HH21 ARG 20 29.354 34.024 19.264
147 2HH1 ARG 20 HH22 ARG 20 30.822 34.879 18.937
148 1HH2 ARG 20 HH11 ARG 20 31.055 33.720 15.664
149 2HH2 ARG 20 HH12 ARG 20 31.793 34.707 16.879
150 H CYS 21 HN CYS 21 25.882 27.853 18.115
151 HA CYS 21 HA CYS 21 28.156 27.493 16.263
152 1HB CYS 21 HB2 CYS 21 29.423 26.405 18.257
153 2HB CYS 21 HB1 CYS 21 29.398 28.163 18.168
154 H CYS 22 HN CYS 22 25.640 26.448 15.958
155 HA CYS 22 HA CYS 22 26.028 23.542 16.585
156 1HB CYS 22 HB2 CYS 22 24.399 24.789 18.096
157 2HB CYS 22 HB1 CYS 22 23.403 25.057 16.669
Start of MODEL 20
1 1H 5HP 1 HT1 5HP 1 26.489 33.294 26.546
2 2H 5HP 1 HT2 5HP 1 26.057 32.501 27.988
3 HA 5HP 1 HA 5HP 1 28.142 31.822 26.198
4 1HB 5HP 1 HB1 5HP 1 29.966 32.782 27.179
5 2HB 5HP 1 HB2 5HP 1 29.570 31.972 28.702
6 1HG 5HP 1 HG1 5HP 1 29.265 34.743 28.020
7 2HG 5HP 1 HG2 5HP 1 28.874 33.946 29.559
8 H ARG 2 HN ARG 2 28.267 29.576 26.361
9 HA ARG 2 HA ARG 2 28.037 28.124 28.845
10 1HB ARG 2 HB2 ARG 2 25.713 28.981 28.581
11 2HB ARG 2 HB1 ARG 2 25.602 28.152 27.030
12 1HG ARG 2 HG2 ARG 2 25.619 26.027 28.014
13 2HG ARG 2 HG1 ARG 2 26.380 26.612 29.492
14 1HD ARG 2 HD2 ARG 2 23.637 27.615 28.734
15 2HD ARG 2 HD1 ARG 2 23.817 26.048 29.545
16 HE ARG 2 HE ARG 2 25.408 28.096 30.856
17 1HH1 ARG 2 HH21 ARG 2 23.528 25.819 31.919
18 2HH1 ARG 2 HH22 ARG 2 22.411 26.769 32.840
19 1HH2 ARG 2 HH11 ARG 2 23.402 29.784 31.418
20 2HH2 ARG 2 HH12 ARG 2 22.342 29.024 32.558
21 H CYS 3 HN CYS 3 26.711 27.379 25.571
22 HA CYS 3 HA CYS 3 28.486 24.981 25.520
23 1HB CYS 3 HB2 CYS 3 26.222 25.720 23.645
24 2HB CYS 3 HB1 CYS 3 26.919 24.125 23.914
25 H CYS 4 HN CYS 4 29.238 27.944 24.686
26 HA CYS 4 HA CYS 4 30.354 27.137 22.012
27 1HB CYS 4 HB2 CYS 4 29.110 29.723 22.958
28 2HB CYS 4 HB1 CYS 4 30.133 29.641 21.528
29 H ASN 5 HN ASN 5 31.525 26.990 24.717
30 HA ASN 5 HA ASN 5 33.837 28.876 24.376
31 1HB ASN 5 HB2 ASN 5 32.031 28.776 26.416
32 2HB ASN 5 HB1 ASN 5 33.257 27.672 27.022
33 1HD2 ASN 5 HD21 ASN 5 33.585 30.715 25.109
34 2HD2 ASN 5 HD22 ASN 5 34.623 31.463 26.223
35 H GLY 6 HN GLY 6 33.559 26.204 23.200
36 1HA GLY 6 HA2 GLY 6 36.102 25.096 24.013
37 2HA GLY 6 HA1 GLY 6 34.774 24.101 24.608
38 H ARG 7 HN ARG 7 34.684 22.351 23.263
39 HA ARG 7 HA ARG 7 34.619 22.867 20.306
40 1HB ARG 7 HB2 ARG 7 35.841 20.709 20.096
41 2HB ARG 7 HB1 ARG 7 36.757 21.899 21.018
42 1HG ARG 7 HG2 ARG 7 36.024 20.859 23.124
43 2HG ARG 7 HG1 ARG 7 35.046 19.698 22.224
44 1HD ARG 7 HD2 ARG 7 36.845 18.357 21.920
45 2HD ARG 7 HD1 ARG 7 37.769 19.699 21.215
46 HE ARG 7 HE ARG 7 38.511 20.321 23.458
47 1HH1 ARG 7 HH11 ARG 7 38.494 17.140 23.088
48 2HH1 ARG 7 HH12 ARG 7 38.097 16.685 24.711
49 1HH2 ARG 7 HH21 ARG 7 37.141 19.900 25.651
50 2HH2 ARG 7 HH22 ARG 7 37.335 18.260 26.175
51 H ARG 8 HN ARG 8 32.529 22.166 22.647
52 HA ARG 8 HA ARG 8 31.371 19.698 21.467
53 1HB ARG 8 HB2 ARG 8 31.531 20.882 24.036
54 2HB ARG 8 HB1 ARG 8 29.824 20.933 23.583
55 1HG ARG 8 HG2 ARG 8 29.693 18.753 24.163
56 2HG ARG 8 HG1 ARG 8 30.715 18.391 22.770
57 1HD ARG 8 HD2 ARG 8 32.670 19.094 24.430
58 2HD ARG 8 HD1 ARG 8 31.474 18.629 25.660
59 HE ARG 8 HE ARG 8 32.516 16.819 23.517
60 1HH1 ARG 8 HH11 ARG 8 33.081 16.185 26.359
61 2HH1 ARG 8 HH12 ARG 8 31.838 15.048 26.758
62 1HH2 ARG 8 HH21 ARG 8 29.845 15.894 24.013
63 2HH2 ARG 8 HH22 ARG 8 29.980 14.885 25.416
64 H GLY 9 HN GLY 9 29.999 22.872 22.479
65 1HA GLY 9 HA2 GLY 9 28.585 24.325 21.227
66 2HA GLY 9 HA1 GLY 9 28.675 23.195 19.875
67 H CYS 10 HN CYS 10 27.668 20.952 20.563
68 HA CYS 10 HA CYS 10 24.929 21.523 21.602
69 1HB CYS 10 HB2 CYS 10 26.029 19.258 19.893
70 2HB CYS 10 HB1 CYS 10 24.331 19.515 20.272
71 H SER 11 HN SER 11 25.848 21.374 23.784
72 HA SER 11 HA SER 11 26.919 18.795 24.709
73 1HB SER 11 HB2 SER 11 26.015 21.283 26.223
74 2HB SER 11 HB1 SER 11 27.110 20.042 26.826
75 HG SER 11 HG SER 11 28.667 21.056 25.855
76 H SER 12 HN SER 12 23.828 20.553 24.830
77 HA SER 12 HA SER 12 22.504 18.065 25.782
78 1HB SER 12 HB2 SER 12 22.090 20.778 27.082
79 2HB SER 12 HB1 SER 12 21.499 19.225 27.653
80 HG SER 12 HG SER 12 23.708 18.621 27.984
81 H ARG 13 HN ARG 13 20.032 19.797 26.310
82 HA ARG 13 HA ARG 13 19.208 20.083 23.458
83 1HB ARG 13 HB2 ARG 13 18.065 18.937 25.679
84 2HB ARG 13 HB1 ARG 13 17.283 20.517 25.659
85 1HG ARG 13 HG2 ARG 13 15.869 19.642 24.125
86 2HG ARG 13 HG1 ARG 13 17.217 19.745 22.992
87 1HD ARG 13 HD2 ARG 13 17.483 17.363 24.640
88 2HD ARG 13 HD1 ARG 13 15.904 17.396 23.832
89 HE ARG 13 HE ARG 13 18.409 17.917 22.277
90 1HH1 ARG 13 HH11 ARG 13 15.324 17.755 21.485
91 2HH1 ARG 13 HH12 ARG 13 15.367 16.284 20.570
92 1HH2 ARG 13 HH21 ARG 13 18.535 15.374 21.682
93 2HH2 ARG 13 HH22 ARG 13 17.194 14.935 20.680
94 H TRP 14 HN TRP 14 20.178 21.946 26.163
95 HA TRP 14 HA TRP 14 18.700 24.407 25.618
96 1HB TRP 14 HB2 TRP 14 19.490 23.750 27.829
97 2HB TRP 14 HB1 TRP 14 21.152 23.682 27.242
98 HD1 TRP 14 HD1 TRP 14 18.567 26.041 28.525
99 HE1 TRP 14 HE1 TRP 14 19.517 28.444 28.612
100 HE3 TRP 14 HE3 TRP 14 22.855 25.349 25.899
101 HZ2 TRP 14 HZ2 TRP 14 21.826 29.865 27.670
102 HZ3 TRP 14 HZ3 TRP 14 24.404 27.194 25.499
103 HH2 TRP 14 HH2 TRP 14 23.915 29.478 26.380
104 H CYS 15 HN CYS 15 21.732 23.022 24.419
105 HA CYS 15 HA CYS 15 22.679 25.698 23.618
106 1HB CYS 15 HB2 CYS 15 23.758 23.046 22.643
107 2HB CYS 15 HB1 CYS 15 24.637 24.547 22.925
108 H ARG 16 HN ARG 16 20.340 25.704 22.502
109 HA ARG 16 HA ARG 16 20.777 25.080 19.600
110 1HB ARG 16 HB2 ARG 16 18.164 24.769 21.114
111 2HB ARG 16 HB1 ARG 16 18.515 24.236 19.471
112 1HG ARG 16 HG2 ARG 16 19.996 23.185 21.909
113 2HG ARG 16 HG1 ARG 16 18.574 22.393 21.232
114 1HD ARG 16 HD2 ARG 16 20.516 23.008 19.137
115 2HD ARG 16 HD1 ARG 16 21.231 21.988 20.400
116 HE ARG 16 HE ARG 16 18.831 20.741 20.027
117 1HH1 ARG 16 HH21 ARG 16 21.267 19.533 18.824
118 2HH1 ARG 16 HH22 ARG 16 20.862 19.473 17.144
119 1HH2 ARG 16 HH11 ARG 16 18.242 21.744 17.419
120 2HH2 ARG 16 HH12 ARG 16 19.141 20.731 16.341
121 H ASP 17 HN ASP 17 18.538 26.819 21.838
122 HA ASP 17 HA ASP 17 18.197 28.993 19.819
123 1HB ASP 17 HB2 ASP 17 16.722 27.809 22.082
124 2HB ASP 17 HB1 ASP 17 16.656 29.570 22.042
125 H HIS 18 HN HIS 18 20.677 28.562 21.715
126 HA HIS 18 HA HIS 18 20.764 31.397 22.668
127 1HB HIS 18 HB2 HIS 18 22.040 29.368 24.429
128 2HB HIS 18 HB1 HIS 18 21.175 30.832 24.864
129 HD1 HIS 18 HD1 HIS 18 20.112 27.539 23.213
130 HD2 HIS 18 HD2 HIS 18 18.978 30.039 26.294
131 HE1 HIS 18 HE1 HIS 18 18.049 26.524 24.214
132 H SER 19 HN SER 19 22.687 28.392 22.398
133 HA SER 19 HA SER 19 25.171 29.931 21.995
134 1HB SER 19 HB2 SER 19 26.004 27.461 21.823
135 2HB SER 19 HB1 SER 19 25.386 28.021 23.366
136 HG SER 19 HG SER 19 23.933 26.599 21.369
137 H ARG 20 HN ARG 20 25.562 30.688 19.930
138 HA ARG 20 HA ARG 20 24.324 29.538 17.558
139 1HB ARG 20 HB2 ARG 20 25.712 31.265 16.416
140 2HB ARG 20 HB1 ARG 20 24.843 31.936 17.793
141 1HG ARG 20 HG2 ARG 20 26.835 31.885 19.166
142 2HG ARG 20 HG1 ARG 20 27.718 30.972 17.939
143 1HD ARG 20 HD2 ARG 20 27.422 32.917 16.360
144 2HD ARG 20 HD1 ARG 20 26.719 33.835 17.708
145 HE ARG 20 HE ARG 20 28.921 33.294 18.943
146 1HH1 ARG 20 HH11 ARG 20 30.213 31.652 16.841
147 2HH1 ARG 20 HH12 ARG 20 31.191 32.805 15.995
148 1HH2 ARG 20 HH21 ARG 20 29.479 35.569 17.257
149 2HH2 ARG 20 HH22 ARG 20 30.770 35.042 16.232
150 H CYS 21 HN CYS 21 25.568 27.400 18.679
151 HA CYS 21 HA CYS 21 27.791 26.825 16.768
152 1HB CYS 21 HB2 CYS 21 27.876 26.062 19.704
153 2HB CYS 21 HB1 CYS 21 29.197 26.011 18.542
154 H CYS 22 HN CYS 22 24.933 26.045 16.843
155 HA CYS 22 HA CYS 22 25.292 23.083 16.903
156 1HB CYS 22 HB2 CYS 22 23.544 24.797 18.627
157 2HB CYS 22 HB1 CYS 22 22.883 23.264 18.070
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