Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6828 | 1jlp RC | 5112 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 -1.508 13.037 -5.781
2 2H GLY 1 2H GLY 1 0.006 12.386 -5.666
3 3H GLY 1 3H GLY 1 -0.245 13.969 -5.267
4 1HA GLY 1 2HA GLY 1 -1.702 13.286 -3.374
5 2HA GLY 1 1HA GLY 1 -1.358 11.629 -3.779
6 HA HYP 2 HA HYP 2 1.863 12.359 -0.841
7 1HB HYP 2 1HB HYP 2 0.904 10.801 1.315
8 2HB HYP 2 2HB HYP 2 0.809 12.560 1.200
9 1HD HYP 2 1HD HYP 2 -2.048 11.542 -1.573
10 2HD HYP 2 2HD HYP 2 -1.670 13.126 -0.971
11 HOD HYP 2 HOD HYP 2 -2.636 12.360 1.207
12 HG HYP 2 HG HYP 2 -1.454 10.566 0.551
13 HA HYP 3 HA HYP 3 3.537 8.329 -2.161
14 1HB HYP 3 1HB HYP 3 5.467 8.551 0.182
15 2HB HYP 3 2HB HYP 3 5.847 8.348 -1.498
16 1HD HYP 3 1HD HYP 3 3.844 11.932 -1.003
17 2HD HYP 3 2HD HYP 3 4.033 11.129 0.561
18 HOD HYP 3 HOD HYP 3 5.697 11.690 -2.355
19 HG HYP 3 HG HYP 3 6.212 10.759 -0.337
20 H CYS 4 H CYS 4 2.925 6.578 -1.923
21 HA CYS 4 HA CYS 4 1.825 5.003 0.244
22 1HB CYS 4 1HB CYS 4 1.260 4.899 -2.127
23 2HB CYS 4 2HB CYS 4 2.830 4.496 -2.560
24 H CYS 5 H CYS 5 4.958 5.225 -1.210
25 HA CYS 5 HA CYS 5 6.164 3.591 0.960
26 1HB CYS 5 1HB CYS 5 7.160 3.397 -1.818
27 2HB CYS 5 2HB CYS 5 7.714 2.530 -0.395
28 H LEU 6 H LEU 6 7.441 4.896 1.708
29 HA LEU 6 HA LEU 6 8.886 7.195 0.407
30 1HB LEU 6 2HB LEU 6 7.247 7.946 2.042
31 2HB LEU 6 1HB LEU 6 8.091 7.048 3.281
32 HG LEU 6 HG LEU 6 10.007 8.513 2.871
33 1HD1 LEU 6 1HD2 LEU 6 9.505 9.412 0.564
34 2HD1 LEU 6 2HD2 LEU 6 8.066 10.244 1.212
35 3HD1 LEU 6 3HD2 LEU 6 9.701 10.752 1.715
36 1HD2 LEU 6 1HD1 LEU 6 9.217 10.417 4.161
37 2HD2 LEU 6 2HD1 LEU 6 7.520 9.916 3.830
38 3HD2 LEU 6 3HD1 LEU 6 8.618 8.856 4.772
39 H TYR 7 H TYR 7 10.985 6.635 0.323
40 HA TYR 7 HA TYR 7 12.825 5.375 0.349
41 1HB TYR 7 1HB TYR 7 12.339 5.554 3.255
42 2HB TYR 7 2HB TYR 7 13.744 4.962 2.470
43 HD1 TYR 7 1HD TYR 7 12.109 7.968 3.662
44 HD2 TYR 7 2HD TYR 7 15.053 6.646 0.808
45 HE1 TYR 7 1HE TYR 7 12.965 10.261 3.467
46 HE2 TYR 7 2HE TYR 7 15.901 8.945 0.639
47 HH TYR 7 HH TYR 7 14.445 11.599 2.511
48 H GLY 8 H GLY 8 10.951 3.667 -0.361
49 1HA GLY 8 1HA GLY 8 10.887 1.340 -0.922
50 2HA GLY 8 2HA GLY 8 11.990 0.915 0.400
51 H SER 9 H SER 9 9.775 2.734 1.942
52 HA SER 9 HA SER 9 9.166 0.297 3.346
53 1HB SER 9 1HB SER 9 8.545 2.000 5.051
54 2HB SER 9 2HB SER 9 9.949 2.518 4.365
55 HG SER 9 HG SER 9 7.255 3.289 3.748
56 H CYS 10 H CYS 10 6.997 0.343 4.613
57 HA CYS 10 HA CYS 10 4.574 0.572 2.747
58 1HB CYS 10 2HB CYS 10 4.909 -1.230 5.195
59 2HB CYS 10 1HB CYS 10 3.323 -0.689 4.614
60 H ARG 11 H ARG 11 3.718 2.441 2.990
61 HA ARG 11 HA ARG 11 3.845 4.046 5.591
62 1HB ARG 11 1HB ARG 11 5.595 4.525 3.888
63 2HB ARG 11 2HB ARG 11 4.294 5.034 2.794
64 1HG ARG 11 2HG ARG 11 5.083 7.008 3.559
65 2HG ARG 11 1HG ARG 11 3.625 6.771 4.504
66 1HD ARG 11 1HD ARG 11 5.488 7.730 5.898
67 2HD ARG 11 2HD ARG 11 5.006 6.158 6.541
68 HE ARG 11 HE ARG 11 7.167 5.565 4.771
69 1HH1 ARG 11 2HH2 ARG 11 6.765 7.548 7.693
70 2HH1 ARG 11 1HH2 ARG 11 8.531 7.296 8.124
71 1HH2 ARG 11 1HH1 ARG 11 9.163 5.361 5.345
72 2HH2 ARG 11 2HH1 ARG 11 9.797 6.140 6.881
73 HA HYP 12 HA HYP 12 -0.291 2.916 4.128
74 1HB HYP 12 1HB HYP 12 -1.869 3.210 6.405
75 2HB HYP 12 2HB HYP 12 -0.659 1.921 6.139
76 1HD HYP 12 1HD HYP 12 2.119 4.509 7.071
77 2HD HYP 12 2HD HYP 12 2.098 2.769 6.670
78 HOD HYP 12 HOD HYP 12 -0.672 2.605 8.782
79 HG HYP 12 HG HYP 12 -0.187 4.554 7.685
80 H PHE 13 H PHE 13 -1.558 3.874 2.850
81 HA PHE 13 HA PHE 13 -3.063 6.455 3.387
82 1HB PHE 13 1HB PHE 13 -1.007 6.120 1.068
83 2HB PHE 13 2HB PHE 13 -2.217 7.317 0.989
84 HD1 PHE 13 1HD PHE 13 1.047 6.737 2.087
85 HD2 PHE 13 2HD PHE 13 -2.467 8.968 3.035
86 HE1 PHE 13 1HE PHE 13 2.437 8.393 3.361
87 HE2 PHE 13 2HE PHE 13 -1.120 10.612 4.283
88 HZ PHE 13 HZ PHE 13 1.344 10.315 4.468
89 HA HYP 14 HA HYP 14 -6.045 4.667 0.719
90 1HB HYP 14 1HB HYP 14 -7.443 6.736 -0.125
91 2HB HYP 14 2HB HYP 14 -7.296 6.185 1.555
92 1HD HYP 14 1HD HYP 14 -4.040 8.055 1.933
93 2HD HYP 14 2HD HYP 14 -5.324 7.324 2.953
94 HOD HYP 14 HOD HYP 14 -7.655 9.032 1.276
95 HG HYP 14 HG HYP 14 -5.640 8.483 0.305
96 H GLY 15 H GLY 15 -5.809 3.865 -0.963
97 1HA GLY 15 1HA GLY 15 -5.163 3.107 -3.155
98 2HA GLY 15 2HA GLY 15 -4.672 4.743 -3.481
99 H CYS 16 H CYS 16 -3.164 3.479 -0.759
100 HA CYS 16 HA CYS 16 -0.533 3.183 -2.124
101 1HB CYS 16 1HB CYS 16 -0.383 4.299 -0.142
102 2HB CYS 16 2HB CYS 16 -1.309 3.086 0.819
103 H TYR 17 H TYR 17 -2.399 1.116 -0.050
104 HA TYR 17 HA TYR 17 -1.379 -1.552 -0.781
105 1HB TYR 17 2HB TYR 17 -3.736 -2.393 -0.215
106 2HB TYR 17 1HB TYR 17 -2.657 -1.858 1.007
107 HD1 TYR 17 1HD TYR 17 -3.258 -0.130 2.570
108 HD2 TYR 17 2HD TYR 17 -5.625 -0.495 -1.021
109 HE1 TYR 17 1HE TYR 17 -4.800 1.550 3.412
110 HE2 TYR 17 2HE TYR 17 -7.159 1.200 -0.152
111 HH TYR 17 HH TYR 17 -7.617 2.610 1.493
112 H ASN 18 H ASN 18 -3.428 0.497 -2.718
113 HA ASN 18 HA ASN 18 -3.612 -1.568 -4.915
114 1HB ASN 18 1HB ASN 18 -5.474 0.042 -4.668
115 2HB ASN 18 2HB ASN 18 -4.391 1.326 -5.006
116 1HD2 ASN 18 1HD2 ASN 18 -4.062 1.572 -7.390
117 2HD2 ASN 18 2HD2 ASN 18 -5.096 0.574 -8.534
118 H ALA 19 H ALA 19 -1.283 0.758 -3.924
119 HA ALA 19 HA ALA 19 -0.032 1.145 -6.657
120 1HB ALA 19 1HB ALA 19 0.781 2.322 -3.878
121 2HB ALA 19 2HB ALA 19 1.482 2.795 -5.428
122 3HB ALA 19 HB3 ALA 19 -0.212 3.175 -5.077
123 H LEU 20 H LEU 20 2.183 0.963 -6.886
124 HA LEU 20 HA LEU 20 2.305 -1.779 -6.983
125 1HB LEU 20 2HB LEU 20 3.051 0.051 -8.703
126 2HB LEU 20 1HB LEU 20 4.625 -0.023 -7.973
127 HG LEU 20 HG LEU 20 4.445 -1.233 -10.075
128 1HD1 LEU 20 1HD2 LEU 20 6.095 -2.128 -8.378
129 2HD1 LEU 20 2HD2 LEU 20 4.914 -3.389 -7.940
130 3HD1 LEU 20 3HD2 LEU 20 5.568 -3.320 -9.586
131 1HD2 LEU 20 1HD1 LEU 20 2.028 -1.918 -9.986
132 2HD2 LEU 20 2HD1 LEU 20 3.097 -3.251 -10.474
133 3HD2 LEU 20 3HD1 LEU 20 2.438 -3.203 -8.826
134 H CYS 21 H CYS 21 4.682 0.280 -5.197
135 HA CYS 21 HA CYS 21 6.534 -1.795 -4.412
136 1HB CYS 21 1HB CYS 21 7.142 -0.119 -2.738
137 2HB CYS 21 2HB CYS 21 7.318 0.406 -4.405
138 H CYS 22 H CYS 22 3.712 -0.402 -2.590
139 HA CYS 22 HA CYS 22 4.000 -2.662 -0.551
140 1HB CYS 22 1HB CYS 22 4.388 -0.354 0.534
141 2HB CYS 22 2HB CYS 22 2.715 0.052 0.116
142 H ARG 23 H ARG 23 3.027 -3.395 -2.656
143 HA ARG 23 HA ARG 23 0.194 -2.861 -3.030
144 1HB ARG 23 2HB ARG 23 1.900 -3.479 -4.858
145 2HB ARG 23 1HB ARG 23 1.661 -5.162 -4.426
146 1HG ARG 23 2HG ARG 23 -0.866 -4.803 -4.915
147 2HG ARG 23 1HG ARG 23 -0.485 -3.132 -5.338
148 1HD ARG 23 1HD ARG 23 1.205 -4.135 -7.104
149 2HD ARG 23 2HD ARG 23 0.439 -5.700 -6.785
150 HE ARG 23 HE ARG 23 -1.623 -3.677 -7.405
151 1HH1 ARG 23 2HH2 ARG 23 0.908 -5.564 -9.040
152 2HH1 ARG 23 1HH2 ARG 23 0.018 -5.396 -10.636
153 1HH2 ARG 23 1HH1 ARG 23 -2.557 -3.566 -9.264
154 2HH2 ARG 23 2HH1 ARG 23 -1.812 -4.340 -10.752
155 H LYS 24 H LYS 24 -0.054 -3.393 -0.764
156 HA LYS 24 HA LYS 24 -0.756 -6.279 -0.089
157 1HB LYS 24 1HB LYS 24 -0.127 -3.775 1.634
158 2HB LYS 24 2HB LYS 24 -0.669 -5.281 2.288
159 1HG LYS 24 1HG LYS 24 1.966 -4.936 0.733
160 2HG LYS 24 2HG LYS 24 1.809 -5.062 2.466
161 1HD LYS 24 1HD LYS 24 1.188 -7.296 0.444
162 2HD LYS 24 2HD LYS 24 2.635 -7.130 1.420
163 1HE LYS 24 2HE LYS 24 1.255 -7.384 3.546
164 2HE LYS 24 1HE LYS 24 -0.203 -7.597 2.565
165 1HZ LYS 24 HZ1 LYS 24 2.191 -9.367 2.470
166 2HZ LYS 24 HZ2 LYS 24 0.749 -9.720 3.196
167 3HZ LYS 24 HZ3 LYS 24 0.829 -9.561 1.554
168 1HN NH2 25 1HN NH2 25 -2.525 -4.936 2.089
169 2HN NH2 25 2HN NH2 25 -4.184 -5.024 1.203
Start of MODEL 2
1 1H GLY 1 1H GLY 1 -1.466 13.394 -5.476
2 2H GLY 1 2H GLY 1 0.034 12.702 -5.507
3 3H GLY 1 3H GLY 1 -0.138 14.280 -5.050
4 1HA GLY 1 2HA GLY 1 -1.445 13.585 -3.055
5 2HA GLY 1 1HA GLY 1 -1.185 11.931 -3.529
6 HA HYP 2 HA HYP 2 2.313 12.445 -0.882
7 1HB HYP 2 1HB HYP 2 1.475 10.909 1.337
8 2HB HYP 2 2HB HYP 2 1.439 12.672 1.244
9 1HD HYP 2 1HD HYP 2 -1.685 11.805 -1.272
10 2HD HYP 2 2HD HYP 2 -1.213 13.365 -0.670
11 HOD HYP 2 HOD HYP 2 -1.998 12.586 1.571
12 HG HYP 2 HG HYP 2 -0.943 10.766 0.777
13 HA HYP 3 HA HYP 3 3.634 8.275 -2.328
14 1HB HYP 3 1HB HYP 3 5.709 8.415 -0.122
15 2HB HYP 3 2HB HYP 3 5.959 8.154 -1.825
16 1HD HYP 3 1HD HYP 3 4.253 11.886 -1.246
17 2HD HYP 3 2HD HYP 3 4.509 11.076 0.306
18 HOD HYP 3 HOD HYP 3 5.986 11.487 -2.736
19 HG HYP 3 HG HYP 3 6.581 10.547 -0.742
20 H CYS 4 H CYS 4 2.889 6.592 -2.002
21 HA CYS 4 HA CYS 4 1.800 5.087 0.181
22 1HB CYS 4 1HB CYS 4 1.280 4.882 -2.172
23 2HB CYS 4 2HB CYS 4 2.846 4.494 -2.594
24 H CYS 5 H CYS 5 4.961 5.107 -1.260
25 HA CYS 5 HA CYS 5 6.115 3.509 0.954
26 1HB CYS 5 1HB CYS 5 7.192 3.267 -1.799
27 2HB CYS 5 2HB CYS 5 7.591 2.352 -0.365
28 H LEU 6 H LEU 6 7.474 4.799 1.635
29 HA LEU 6 HA LEU 6 8.850 7.074 0.319
30 1HB LEU 6 1HB LEU 6 6.953 7.721 2.055
31 2HB LEU 6 2HB LEU 6 8.177 7.221 3.160
32 HG LEU 6 HG LEU 6 8.168 9.623 1.495
33 1HD1 LEU 6 1HD1 LEU 6 7.090 9.722 3.736
34 2HD1 LEU 6 2HD1 LEU 6 8.644 9.254 4.483
35 3HD1 LEU 6 3HD1 LEU 6 8.498 10.812 3.629
36 1HD2 LEU 6 1HD2 LEU 6 10.488 8.799 1.208
37 2HD2 LEU 6 2HD2 LEU 6 10.614 8.583 2.977
38 3HD2 LEU 6 3HD2 LEU 6 10.480 10.222 2.284
39 H TYR 7 H TYR 7 10.995 6.917 0.849
40 HA TYR 7 HA TYR 7 12.868 5.650 0.772
41 1HB TYR 7 1HB TYR 7 12.014 5.075 3.544
42 2HB TYR 7 2HB TYR 7 13.591 4.979 2.861
43 HD1 TYR 7 1HD TYR 7 13.940 7.639 1.408
44 HD2 TYR 7 2HD TYR 7 11.983 6.842 5.166
45 HE1 TYR 7 1HE TYR 7 14.432 9.916 2.164
46 HE2 TYR 7 2HE TYR 7 12.496 9.125 5.900
47 HH TYR 7 HH TYR 7 13.410 11.067 5.372
48 H GLY 8 H GLY 8 11.030 4.105 -0.407
49 1HA GLY 8 1HA GLY 8 10.828 1.890 -1.281
50 2HA GLY 8 2HA GLY 8 11.989 1.251 -0.118
51 H SER 9 H SER 9 9.910 2.721 1.841
52 HA SER 9 HA SER 9 9.381 -0.084 2.677
53 1HB SER 9 2HB SER 9 10.569 1.749 4.071
54 2HB SER 9 1HB SER 9 8.998 2.293 4.580
55 HG SER 9 HG SER 9 8.560 0.143 5.237
56 H CYS 10 H CYS 10 7.268 0.525 4.665
57 HA CYS 10 HA CYS 10 4.780 0.741 2.866
58 1HB CYS 10 2HB CYS 10 5.213 -1.169 5.225
59 2HB CYS 10 1HB CYS 10 3.604 -0.615 4.740
60 H ARG 11 H ARG 11 3.876 2.585 3.239
61 HA ARG 11 HA ARG 11 3.655 3.797 6.013
62 1HB ARG 11 1HB ARG 11 5.546 4.713 4.781
63 2HB ARG 11 2HB ARG 11 4.454 5.234 3.482
64 1HG ARG 11 1HG ARG 11 3.330 6.813 4.885
65 2HG ARG 11 2HG ARG 11 3.994 6.137 6.367
66 1HD ARG 11 2HD ARG 11 5.693 7.646 4.255
67 2HD ARG 11 1HD ARG 11 4.989 8.382 5.689
68 HE ARG 11 HE ARG 11 6.760 5.942 6.119
69 1HH1 ARG 11 2HH1 ARG 11 6.431 9.470 6.457
70 2HH1 ARG 11 1HH1 ARG 11 7.906 9.516 7.548
71 1HH2 ARG 11 2HH2 ARG 11 8.454 6.125 7.329
72 2HH2 ARG 11 1HH2 ARG 11 8.971 7.751 8.006
73 HA HYP 12 HA HYP 12 -0.300 2.799 4.091
74 1HB HYP 12 1HB HYP 12 -2.096 3.030 6.221
75 2HB HYP 12 2HB HYP 12 -0.897 1.722 6.005
76 1HD HYP 12 1HD HYP 12 1.813 4.206 7.341
77 2HD HYP 12 2HD HYP 12 1.815 2.485 6.854
78 HOD HYP 12 HOD HYP 12 0.337 2.668 9.091
79 HG HYP 12 HG HYP 12 -0.527 4.266 7.720
80 H PHE 13 H PHE 13 -1.531 3.787 2.793
81 HA PHE 13 HA PHE 13 -3.011 6.381 3.349
82 1HB PHE 13 1HB PHE 13 -0.986 6.026 1.006
83 2HB PHE 13 2HB PHE 13 -2.175 7.245 0.958
84 HD1 PHE 13 1HD PHE 13 -2.350 8.903 2.980
85 HD2 PHE 13 2HD PHE 13 1.109 6.598 1.988
86 HE1 PHE 13 1HE PHE 13 -0.947 10.531 4.188
87 HE2 PHE 13 2HE PHE 13 2.548 8.237 3.218
88 HZ PHE 13 HZ PHE 13 1.514 10.190 4.327
89 HA HYP 14 HA HYP 14 -5.994 4.624 0.619
90 1HB HYP 14 1HB HYP 14 -7.386 6.721 -0.168
91 2HB HYP 14 2HB HYP 14 -7.244 6.128 1.499
92 1HD HYP 14 1HD HYP 14 -3.990 7.988 1.928
93 2HD HYP 14 2HD HYP 14 -5.283 7.250 2.936
94 HOD HYP 14 HOD HYP 14 -7.227 8.170 2.601
95 HG HYP 14 HG HYP 14 -5.583 8.455 0.309
96 H GLY 15 H GLY 15 -5.751 3.896 -1.109
97 1HA GLY 15 1HA GLY 15 -5.046 3.224 -3.309
98 2HA GLY 15 2HA GLY 15 -4.541 4.869 -3.556
99 H CYS 16 H CYS 16 -3.108 3.500 -0.855
100 HA CYS 16 HA CYS 16 -0.449 3.174 -2.172
101 1HB CYS 16 1HB CYS 16 -0.350 4.279 -0.177
102 2HB CYS 16 2HB CYS 16 -1.286 3.052 0.755
103 H TYR 17 H TYR 17 -2.428 1.131 -0.180
104 HA TYR 17 HA TYR 17 -1.454 -1.541 -1.058
105 1HB TYR 17 1HB TYR 17 -3.687 -2.423 -0.306
106 2HB TYR 17 2HB TYR 17 -2.615 -1.759 0.865
107 HD1 TYR 17 1HD TYR 17 -5.734 -0.743 -1.130
108 HD2 TYR 17 2HD TYR 17 -3.284 0.055 2.332
109 HE1 TYR 17 1HE TYR 17 -7.374 0.880 -0.313
110 HE2 TYR 17 2HE TYR 17 -4.933 1.664 3.121
111 HH TYR 17 HH TYR 17 -7.886 2.363 1.248
112 H ASN 18 H ASN 18 -3.332 0.719 -2.865
113 HA ASN 18 HA ASN 18 -3.729 -1.303 -5.095
114 1HB ASN 18 1HB ASN 18 -5.501 0.428 -4.758
115 2HB ASN 18 2HB ASN 18 -4.338 1.630 -5.140
116 1HD2 ASN 18 1HD2 ASN 18 -3.942 1.730 -7.536
117 2HD2 ASN 18 2HD2 ASN 18 -5.133 0.876 -8.647
118 H ALA 19 H ALA 19 -1.274 0.799 -4.008
119 HA ALA 19 HA ALA 19 0.054 1.121 -6.735
120 1HB ALA 19 1HB ALA 19 -0.118 3.238 -5.274
121 2HB ALA 19 2HB ALA 19 0.784 2.418 -3.983
122 3HB ALA 19 HB3 ALA 19 1.576 2.781 -5.522
123 H LEU 20 H LEU 20 2.168 0.687 -6.994
124 HA LEU 20 HA LEU 20 2.166 -2.025 -6.760
125 1HB LEU 20 1HB LEU 20 2.977 -0.672 -8.698
126 2HB LEU 20 2HB LEU 20 4.509 -0.453 -7.872
127 HG LEU 20 HG LEU 20 4.829 -3.000 -7.890
128 1HD1 LEU 20 1HD1 LEU 20 2.288 -3.018 -9.665
129 2HD1 LEU 20 2HD1 LEU 20 2.478 -3.822 -8.087
130 3HD1 LEU 20 3HD1 LEU 20 3.419 -4.381 -9.474
131 1HD2 LEU 20 1HD2 LEU 20 4.397 -1.655 -10.617
132 2HD2 LEU 20 2HD2 LEU 20 5.412 -3.095 -10.292
133 3HD2 LEU 20 3HD2 LEU 20 5.851 -1.519 -9.585
134 H CYS 21 H CYS 21 4.621 0.044 -5.135
135 HA CYS 21 HA CYS 21 6.427 -2.018 -4.245
136 1HB CYS 21 1HB CYS 21 7.127 -0.215 -2.724
137 2HB CYS 21 2HB CYS 21 7.262 0.156 -4.432
138 H CYS 22 H CYS 22 3.510 -0.800 -2.687
139 HA CYS 22 HA CYS 22 3.865 -2.659 -0.374
140 1HB CYS 22 1HB CYS 22 4.358 -0.263 0.541
141 2HB CYS 22 2HB CYS 22 2.649 0.092 0.220
142 H ARG 23 H ARG 23 2.705 -2.942 -2.802
143 HA ARG 23 HA ARG 23 -0.087 -2.584 -2.767
144 1HB ARG 23 2HB ARG 23 1.393 -3.360 -4.803
145 2HB ARG 23 1HB ARG 23 0.990 -4.998 -4.327
146 1HG ARG 23 2HG ARG 23 -1.505 -4.320 -4.504
147 2HG ARG 23 1HG ARG 23 -0.972 -2.700 -4.949
148 1HD ARG 23 2HD ARG 23 0.319 -3.887 -6.945
149 2HD ARG 23 1HD ARG 23 -0.655 -5.306 -6.583
150 HE ARG 23 HE ARG 23 -1.595 -2.614 -7.638
151 1HH1 ARG 23 1HH1 ARG 23 -2.656 -5.802 -6.472
152 2HH1 ARG 23 2HH1 ARG 23 -4.333 -5.513 -7.159
153 1HH2 ARG 23 1HH2 ARG 23 -3.525 -2.411 -8.419
154 2HH2 ARG 23 2HH2 ARG 23 -4.789 -3.720 -8.187
155 H LYS 24 H LYS 24 1.529 -5.616 -1.910
156 HA LYS 24 HA LYS 24 -1.032 -6.764 -0.658
157 1HB LYS 24 2HB LYS 24 0.413 -8.135 -2.266
158 2HB LYS 24 1HB LYS 24 1.667 -8.130 -1.022
159 1HG LYS 24 1HG LYS 24 0.029 -9.293 0.571
160 2HG LYS 24 2HG LYS 24 -1.195 -9.238 -0.687
161 1HD LYS 24 1HD LYS 24 -0.325 -11.449 -0.713
162 2HD LYS 24 2HD LYS 24 0.266 -10.681 -2.181
163 1HE LYS 24 2HE LYS 24 2.536 -10.317 -1.058
164 2HE LYS 24 1HE LYS 24 1.915 -11.057 0.425
165 1HZ LYS 24 HZ1 LYS 24 3.131 -12.650 -0.923
166 2HZ LYS 24 HZ2 LYS 24 1.549 -13.119 -0.832
167 3HZ LYS 24 HZ3 LYS 24 2.126 -12.425 -2.215
168 1HN NH2 25 1HN NH2 25 -0.611 -4.782 1.129
169 2HN NH2 25 2HN NH2 25 0.505 -5.388 2.488
Start of MODEL 3
1 1H GLY 1 1H GLY 1 0.195 12.647 -5.254
2 2H GLY 1 2H GLY 1 0.250 14.247 -4.845
3 3H GLY 1 3H GLY 1 -1.207 13.493 -5.036
4 1HA GLY 1 2HA GLY 1 -0.810 13.748 -2.655
5 2HA GLY 1 1HA GLY 1 -0.787 12.063 -3.090
6 HA HYP 2 HA HYP 2 3.098 12.289 -1.001
7 1HB HYP 2 1HB HYP 2 2.460 10.922 1.388
8 2HB HYP 2 2HB HYP 2 2.573 12.674 1.215
9 1HD HYP 2 1HD HYP 2 -0.958 12.053 -0.781
10 2HD HYP 2 2HD HYP 2 -0.253 13.571 -0.319
11 HOD HYP 2 HOD HYP 2 0.611 13.670 1.816
12 HG HYP 2 HG HYP 2 -0.015 10.989 1.168
13 HA HYP 3 HA HYP 3 3.783 7.985 -2.464
14 1HB HYP 3 1HB HYP 3 6.163 7.924 -0.624
15 2HB HYP 3 2HB HYP 3 6.121 7.650 -2.329
16 1HD HYP 3 1HD HYP 3 4.891 11.526 -1.616
17 2HD HYP 3 2HD HYP 3 5.304 10.731 -0.091
18 HOD HYP 3 HOD HYP 3 6.299 10.928 -3.345
19 HG HYP 3 HG HYP 3 7.129 9.975 -1.450
20 H CYS 4 H CYS 4 2.937 6.382 -1.982
21 HA CYS 4 HA CYS 4 1.857 5.005 0.255
22 1HB CYS 4 1HB CYS 4 1.353 4.734 -2.094
23 2HB CYS 4 2HB CYS 4 2.918 4.248 -2.469
24 H CYS 5 H CYS 5 5.033 4.907 -1.042
25 HA CYS 5 HA CYS 5 6.045 3.192 1.180
26 1HB CYS 5 1HB CYS 5 7.209 3.070 -1.535
27 2HB CYS 5 2HB CYS 5 7.605 2.109 -0.123
28 H LEU 6 H LEU 6 7.427 4.425 2.035
29 HA LEU 6 HA LEU 6 8.420 7.097 1.157
30 1HB LEU 6 1HB LEU 6 6.982 6.740 3.469
31 2HB LEU 6 2HB LEU 6 8.647 6.671 3.921
32 HG LEU 6 HG LEU 6 7.926 8.857 4.165
33 1HD1 LEU 6 1HD2 LEU 6 9.457 9.059 1.526
34 2HD1 LEU 6 2HD2 LEU 6 10.191 8.775 3.124
35 3HD1 LEU 6 3HD2 LEU 6 9.337 10.305 2.794
36 1HD2 LEU 6 1HD1 LEU 6 5.856 8.826 2.816
37 2HD2 LEU 6 2HD1 LEU 6 6.822 8.985 1.322
38 3HD2 LEU 6 3HD1 LEU 6 6.796 10.307 2.520
39 H TYR 7 H TYR 7 10.640 7.081 1.200
40 HA TYR 7 HA TYR 7 12.629 6.090 0.592
41 1HB TYR 7 1HB TYR 7 12.318 5.195 3.408
42 2HB TYR 7 2HB TYR 7 13.762 5.312 2.484
43 HD1 TYR 7 1HD TYR 7 14.205 7.856 1.379
44 HD2 TYR 7 2HD TYR 7 11.905 7.033 4.931
45 HE1 TYR 7 1HE TYR 7 14.531 10.166 2.144
46 HE2 TYR 7 2HE TYR 7 12.254 9.345 5.677
47 HH TYR 7 HH TYR 7 14.117 11.662 3.720
48 H GLY 8 H GLY 8 10.880 4.424 -0.449
49 1HA GLY 8 1HA GLY 8 10.758 2.268 -1.486
50 2HA GLY 8 2HA GLY 8 12.107 1.647 -0.527
51 H SER 9 H SER 9 10.188 2.751 1.787
52 HA SER 9 HA SER 9 9.855 -0.139 2.385
53 1HB SER 9 2HB SER 9 11.114 1.495 3.837
54 2HB SER 9 1HB SER 9 9.687 2.091 4.538
55 HG SER 9 HG SER 9 9.115 -0.085 5.068
56 H CYS 10 H CYS 10 7.584 1.094 4.550
57 HA CYS 10 HA CYS 10 5.335 1.336 2.598
58 1HB CYS 10 1HB CYS 10 5.322 -1.059 2.910
59 2HB CYS 10 2HB CYS 10 5.108 -0.933 4.676
60 H ARG 11 H ARG 11 3.654 2.288 3.281
61 HA ARG 11 HA ARG 11 3.566 3.894 5.849
62 1HB ARG 11 1HB ARG 11 5.393 4.669 4.392
63 2HB ARG 11 2HB ARG 11 4.245 4.924 3.096
64 1HG ARG 11 2HG ARG 11 4.619 7.040 3.839
65 2HG ARG 11 1HG ARG 11 3.047 6.644 4.488
66 1HD ARG 11 2HD ARG 11 4.501 7.928 6.125
67 2HD ARG 11 1HD ARG 11 3.972 6.385 6.789
68 HE ARG 11 HE ARG 11 6.260 5.421 6.099
69 1HH1 ARG 11 2HH1 ARG 11 5.932 8.868 6.938
70 2HH1 ARG 11 1HH1 ARG 11 7.693 8.934 7.450
71 1HH2 ARG 11 1HH2 ARG 11 8.268 5.623 6.710
72 2HH2 ARG 11 2HH2 ARG 11 8.923 7.221 7.328
73 HA HYP 12 HA HYP 12 -0.496 2.769 4.071
74 1HB HYP 12 1HB HYP 12 -2.192 3.099 6.258
75 2HB HYP 12 2HB HYP 12 -1.029 1.758 6.040
76 1HD HYP 12 1HD HYP 12 1.772 4.249 7.188
77 2HD HYP 12 2HD HYP 12 1.752 2.510 6.780
78 HOD HYP 12 HOD HYP 12 -1.165 2.384 8.687
79 HG HYP 12 HG HYP 12 -0.545 4.338 7.670
80 H PHE 13 H PHE 13 -1.667 3.809 2.758
81 HA PHE 13 HA PHE 13 -3.063 6.453 3.300
82 1HB PHE 13 1HB PHE 13 -1.043 6.013 0.967
83 2HB PHE 13 2HB PHE 13 -2.175 7.283 0.914
84 HD1 PHE 13 1HD PHE 13 -2.296 8.813 3.154
85 HD2 PHE 13 2HD PHE 13 1.103 6.714 1.629
86 HE1 PHE 13 1HE PHE 13 -0.813 10.432 4.280
87 HE2 PHE 13 2HE PHE 13 2.617 8.352 2.754
88 HZ PHE 13 HZ PHE 13 1.655 10.193 4.097
89 HA HYP 14 HA HYP 14 -6.057 4.829 0.478
90 1HB HYP 14 1HB HYP 14 -7.324 6.990 -0.342
91 2HB HYP 14 2HB HYP 14 -7.264 6.385 1.326
92 1HD HYP 14 1HD HYP 14 -3.953 8.101 1.882
93 2HD HYP 14 2HD HYP 14 -5.313 7.417 2.836
94 HOD HYP 14 HOD HYP 14 -6.276 9.672 2.050
95 HG HYP 14 HG HYP 14 -5.459 8.638 0.204
96 H GLY 15 H GLY 15 -5.799 4.101 -1.256
97 1HA GLY 15 1HA GLY 15 -5.047 3.410 -3.430
98 2HA GLY 15 2HA GLY 15 -4.453 5.030 -3.648
99 H CYS 16 H CYS 16 -3.159 3.638 -0.913
100 HA CYS 16 HA CYS 16 -0.483 3.183 -2.149
101 1HB CYS 16 1HB CYS 16 -0.378 4.299 -0.172
102 2HB CYS 16 2HB CYS 16 -1.415 3.151 0.752
103 H TYR 17 H TYR 17 -2.635 1.237 -0.255
104 HA TYR 17 HA TYR 17 -1.580 -1.474 -0.926
105 1HB TYR 17 2HB TYR 17 -3.920 -2.307 -0.346
106 2HB TYR 17 1HB TYR 17 -2.870 -1.725 0.883
107 HD1 TYR 17 1HD TYR 17 -3.523 0.035 2.393
108 HD2 TYR 17 2HD TYR 17 -5.825 -0.450 -1.226
109 HE1 TYR 17 1HE TYR 17 -5.086 1.737 3.154
110 HE2 TYR 17 2HE TYR 17 -7.379 1.267 -0.436
111 HH TYR 17 HH TYR 17 -6.898 2.926 2.675
112 H ASN 18 H ASN 18 -3.508 0.689 -2.844
113 HA ASN 18 HA ASN 18 -3.760 -1.318 -5.087
114 1HB ASN 18 1HB ASN 18 -5.508 0.447 -4.848
115 2HB ASN 18 2HB ASN 18 -4.305 1.628 -5.167
116 1HD2 ASN 18 1HD2 ASN 18 -3.902 1.827 -7.544
117 2HD2 ASN 18 2HD2 ASN 18 -5.008 0.930 -8.706
118 H ALA 19 H ALA 19 -1.288 0.780 -3.957
119 HA ALA 19 HA ALA 19 0.058 1.094 -6.671
120 1HB ALA 19 1HB ALA 19 -0.083 3.192 -5.190
121 2HB ALA 19 2HB ALA 19 0.807 2.344 -3.906
122 3HB ALA 19 HB3 ALA 19 1.604 2.713 -5.441
123 H LEU 20 H LEU 20 2.136 0.633 -6.965
124 HA LEU 20 HA LEU 20 2.145 -2.065 -6.742
125 1HB LEU 20 2HB LEU 20 3.011 -0.584 -8.633
126 2HB LEU 20 1HB LEU 20 4.541 -0.458 -7.813
127 HG LEU 20 HG LEU 20 4.500 -1.977 -9.742
128 1HD1 LEU 20 1HD2 LEU 20 6.192 -2.409 -7.925
129 2HD1 LEU 20 2HD2 LEU 20 5.132 -3.682 -7.268
130 3HD1 LEU 20 3HD2 LEU 20 5.799 -3.839 -8.904
131 1HD2 LEU 20 1HD1 LEU 20 2.169 -2.862 -9.582
132 2HD2 LEU 20 2HD1 LEU 20 3.359 -4.162 -9.796
133 3HD2 LEU 20 3HD1 LEU 20 2.635 -3.877 -8.195
134 H CYS 21 H CYS 21 4.647 -0.050 -5.114
135 HA CYS 21 HA CYS 21 6.366 -2.149 -4.149
136 1HB CYS 21 1HB CYS 21 7.083 -0.393 -2.615
137 2HB CYS 21 2HB CYS 21 7.230 0.028 -4.308
138 H CYS 22 H CYS 22 3.474 -0.767 -2.655
139 HA CYS 22 HA CYS 22 3.692 -2.718 -0.334
140 1HB CYS 22 1HB CYS 22 4.050 -0.262 0.456
141 2HB CYS 22 2HB CYS 22 2.338 0.002 0.075
142 H ARG 23 H ARG 23 2.492 -2.822 -3.017
143 HA ARG 23 HA ARG 23 -0.291 -3.341 -2.545
144 1HB ARG 23 2HB ARG 23 0.722 -3.185 -4.844
145 2HB ARG 23 1HB ARG 23 1.458 -4.764 -4.634
146 1HG ARG 23 1HG ARG 23 -0.848 -5.777 -4.383
147 2HG ARG 23 2HG ARG 23 -1.588 -4.201 -4.566
148 1HD ARG 23 1HD ARG 23 0.248 -5.463 -6.741
149 2HD ARG 23 2HD ARG 23 -1.479 -5.784 -6.674
150 HE ARG 23 HE ARG 23 -1.448 -2.974 -6.709
151 1HH1 ARG 23 1HH2 ARG 23 -0.131 -5.491 -8.848
152 2HH1 ARG 23 2HH2 ARG 23 -0.300 -4.373 -10.293
153 1HH2 ARG 23 1HH1 ARG 23 -1.542 -1.767 -8.421
154 2HH2 ARG 23 2HH1 ARG 23 -1.044 -2.412 -10.065
155 H LYS 24 H LYS 24 2.329 -5.818 -2.659
156 HA LYS 24 HA LYS 24 0.671 -7.645 -0.828
157 1HB LYS 24 1HB LYS 24 1.682 -8.366 -3.211
158 2HB LYS 24 2HB LYS 24 3.176 -8.530 -2.370
159 1HG LYS 24 1HG LYS 24 2.026 -10.164 -0.745
160 2HG LYS 24 2HG LYS 24 0.530 -9.968 -1.657
161 1HD LYS 24 2HD LYS 24 1.702 -10.865 -3.744
162 2HD LYS 24 1HD LYS 24 3.184 -11.033 -2.815
163 1HE LYS 24 2HE LYS 24 2.222 -13.227 -2.928
164 2HE LYS 24 1HE LYS 24 2.021 -12.696 -1.260
165 1HZ LYS 24 HZ1 LYS 24 -0.098 -12.632 -3.364
166 2HZ LYS 24 HZ2 LYS 24 0.007 -13.719 -2.125
167 3HZ LYS 24 HZ3 LYS 24 -0.307 -12.129 -1.804
168 1HN NH2 25 1HN NH2 25 3.484 -8.840 -0.313
169 2HN NH2 25 2HN NH2 25 4.372 -7.547 0.668
Start of MODEL 4
1 1H GLY 1 1H GLY 1 -1.905 12.949 -5.299
2 2H GLY 1 2H GLY 1 -0.801 11.722 -5.373
3 3H GLY 1 3H GLY 1 -0.300 13.268 -5.077
4 1HA GLY 1 1HA GLY 1 -1.488 13.298 -2.932
5 2HA GLY 1 2HA GLY 1 -2.041 11.678 -3.238
6 HA HYP 2 HA HYP 2 1.927 12.203 -0.775
7 1HB HYP 2 1HB HYP 2 1.162 10.971 1.666
8 2HB HYP 2 2HB HYP 2 1.162 12.698 1.329
9 1HD HYP 2 1HD HYP 2 -2.101 11.635 -0.934
10 2HD HYP 2 2HD HYP 2 -1.433 13.200 -0.636
11 HOD HYP 2 HOD HYP 2 -1.023 12.490 2.706
12 HG HYP 2 HG HYP 2 -1.276 10.822 1.192
13 HA HYP 3 HA HYP 3 3.533 8.130 -1.891
14 1HB HYP 3 1HB HYP 3 5.542 8.444 0.370
15 2HB HYP 3 2HB HYP 3 5.857 8.102 -1.304
16 1HD HYP 3 1HD HYP 3 3.887 11.726 -1.029
17 2HD HYP 3 2HD HYP 3 4.211 11.088 0.589
18 HOD HYP 3 HOD HYP 3 4.798 10.016 -2.764
19 HG HYP 3 HG HYP 3 6.293 10.602 -0.418
20 H CYS 4 H CYS 4 3.046 6.346 -1.621
21 HA CYS 4 HA CYS 4 1.887 4.838 0.571
22 1HB CYS 4 1HB CYS 4 1.340 4.722 -1.807
23 2HB CYS 4 2HB CYS 4 2.904 4.273 -2.218
24 H CYS 5 H CYS 5 5.038 5.008 -0.844
25 HA CYS 5 HA CYS 5 6.255 3.398 1.333
26 1HB CYS 5 1HB CYS 5 7.117 3.035 -1.479
27 2HB CYS 5 2HB CYS 5 7.744 2.230 -0.052
28 H LEU 6 H LEU 6 7.716 4.674 1.938
29 HA LEU 6 HA LEU 6 8.840 7.047 0.447
30 1HB LEU 6 2HB LEU 6 7.469 7.694 2.336
31 2HB LEU 6 1HB LEU 6 8.562 6.860 3.413
32 HG LEU 6 HG LEU 6 10.282 8.424 2.750
33 1HD1 LEU 6 1HD2 LEU 6 8.115 9.955 1.171
34 2HD1 LEU 6 2HD2 LEU 6 9.747 10.591 1.510
35 3HD1 LEU 6 3HD2 LEU 6 9.554 9.178 0.457
36 1HD2 LEU 6 1HD1 LEU 6 9.083 8.855 4.751
37 2HD2 LEU 6 2HD1 LEU 6 7.854 9.814 3.859
38 3HD2 LEU 6 3HD1 LEU 6 9.553 10.387 3.979
39 H TYR 7 H TYR 7 10.957 6.741 0.009
40 HA TYR 7 HA TYR 7 12.879 5.626 -0.297
41 1HB TYR 7 1HB TYR 7 12.830 5.791 2.656
42 2HB TYR 7 2HB TYR 7 14.144 5.293 1.677
43 HD1 TYR 7 1HD TYR 7 12.529 8.183 3.117
44 HD2 TYR 7 2HD TYR 7 15.030 7.046 -0.200
45 HE1 TYR 7 1HE TYR 7 13.178 10.528 2.789
46 HE2 TYR 7 2HE TYR 7 15.677 9.396 -0.500
47 HH TYR 7 HH TYR 7 15.438 11.479 0.208
48 H GLY 8 H GLY 8 11.027 3.789 -0.671
49 1HA GLY 8 1HA GLY 8 10.971 1.468 -1.210
50 2HA GLY 8 2HA GLY 8 12.322 1.095 -0.118
51 H SER 9 H SER 9 10.295 2.823 1.787
52 HA SER 9 HA SER 9 9.942 0.342 3.198
53 1HB SER 9 1HB SER 9 9.757 1.889 5.043
54 2HB SER 9 2HB SER 9 10.903 2.592 4.093
55 HG SER 9 HG SER 9 9.316 4.042 4.829
56 H CYS 10 H CYS 10 7.463 1.702 4.687
57 HA CYS 10 HA CYS 10 5.334 1.499 2.727
58 1HB CYS 10 1HB CYS 10 5.390 -0.855 3.069
59 2HB CYS 10 2HB CYS 10 5.185 -0.743 4.839
60 H ARG 11 H ARG 11 3.666 2.496 3.295
61 HA ARG 11 HA ARG 11 3.351 4.000 5.919
62 1HB ARG 11 1HB ARG 11 5.121 4.967 4.570
63 2HB ARG 11 2HB ARG 11 3.985 5.208 3.229
64 1HG ARG 11 1HG ARG 11 2.682 6.809 4.475
65 2HG ARG 11 2HG ARG 11 3.465 6.428 5.996
66 1HD ARG 11 1HD ARG 11 4.970 7.732 3.604
67 2HD ARG 11 2HD ARG 11 4.197 8.651 4.884
68 HE ARG 11 HE ARG 11 6.293 6.510 5.560
69 1HH1 ARG 11 2HH2 ARG 11 5.281 9.914 5.824
70 2HH1 ARG 11 1HH2 ARG 11 6.592 10.220 7.071
71 1HH2 ARG 11 1HH1 ARG 11 7.763 6.986 6.966
72 2HH2 ARG 11 2HH1 ARG 11 7.900 8.674 7.671
73 HA HYP 12 HA HYP 12 -0.592 2.629 3.991
74 1HB HYP 12 1HB HYP 12 -2.345 2.721 6.162
75 2HB HYP 12 2HB HYP 12 -1.093 1.476 5.889
76 1HD HYP 12 1HD HYP 12 1.494 4.115 7.232
77 2HD HYP 12 2HD HYP 12 1.630 2.402 6.743
78 HOD HYP 12 HOD HYP 12 -1.302 1.931 8.562
79 HG HYP 12 HG HYP 12 -0.820 3.984 7.675
80 H PHE 13 H PHE 13 -1.905 3.603 2.763
81 HA PHE 13 HA PHE 13 -3.488 6.106 3.398
82 1HB PHE 13 1HB PHE 13 -1.393 5.958 1.092
83 2HB PHE 13 2HB PHE 13 -2.631 7.127 1.069
84 HD1 PHE 13 1HD PHE 13 -2.937 8.534 3.373
85 HD2 PHE 13 2HD PHE 13 0.673 6.802 1.863
86 HE1 PHE 13 1HE PHE 13 -1.633 10.244 4.581
87 HE2 PHE 13 2HE PHE 13 2.001 8.543 3.077
88 HZ PHE 13 HZ PHE 13 0.847 10.236 4.450
89 HA HYP 14 HA HYP 14 -6.262 4.425 0.358
90 1HB HYP 14 1HB HYP 14 -7.676 6.526 -0.354
91 2HB HYP 14 2HB HYP 14 -7.618 5.815 1.272
92 1HD HYP 14 1HD HYP 14 -4.483 7.750 2.054
93 2HD HYP 14 2HD HYP 14 -5.816 6.915 2.926
94 HOD HYP 14 HOD HYP 14 -6.943 9.116 2.243
95 HG HYP 14 HG HYP 14 -5.980 8.279 0.367
96 H GLY 15 H GLY 15 -5.874 3.867 -1.426
97 1HA GLY 15 1HA GLY 15 -4.918 3.414 -3.575
98 2HA GLY 15 2HA GLY 15 -4.417 5.079 -3.615
99 H CYS 16 H CYS 16 -3.211 3.536 -0.912
100 HA CYS 16 HA CYS 16 -0.454 3.228 -2.030
101 1HB CYS 16 1HB CYS 16 -0.458 4.233 0.006
102 2HB CYS 16 2HB CYS 16 -1.524 3.024 0.809
103 H TYR 17 H TYR 17 -2.613 1.136 -0.277
104 HA TYR 17 HA TYR 17 -1.563 -1.496 -1.211
105 1HB TYR 17 1HB TYR 17 -3.809 -2.447 -0.584
106 2HB TYR 17 2HB TYR 17 -2.779 -1.837 0.652
107 HD1 TYR 17 1HD TYR 17 -3.528 -0.153 2.213
108 HD2 TYR 17 2HD TYR 17 -5.836 -0.712 -1.391
109 HE1 TYR 17 1HE TYR 17 -5.206 1.398 3.043
110 HE2 TYR 17 2HE TYR 17 -7.506 0.852 -0.535
111 HH TYR 17 HH TYR 17 -8.084 2.230 1.103
112 H ASN 18 H ASN 18 -3.335 0.807 -2.997
113 HA ASN 18 HA ASN 18 -3.635 -1.124 -5.317
114 1HB ASN 18 1HB ASN 18 -5.448 0.521 -5.036
115 2HB ASN 18 2HB ASN 18 -4.317 1.791 -5.232
116 1HD2 ASN 18 1HD2 ASN 18 -3.778 2.128 -7.575
117 2HD2 ASN 18 2HD2 ASN 18 -4.835 1.307 -8.836
118 H ALA 19 H ALA 19 -1.276 1.034 -4.062
119 HA ALA 19 HA ALA 19 0.180 1.438 -6.700
120 1HB ALA 19 1HB ALA 19 -0.005 3.476 -5.155
121 2HB ALA 19 2HB ALA 19 1.690 2.987 -5.324
122 3HB ALA 19 HB3 ALA 19 0.800 2.571 -3.853
123 H LEU 20 H LEU 20 2.297 0.970 -6.897
124 HA LEU 20 HA LEU 20 2.169 -1.744 -6.918
125 1HB LEU 20 2HB LEU 20 3.389 0.030 -8.505
126 2HB LEU 20 1HB LEU 20 4.831 -0.421 -7.658
127 HG LEU 20 HG LEU 20 4.623 -1.527 -9.786
128 1HD1 LEU 20 1HD2 LEU 20 5.075 -3.854 -9.296
129 2HD1 LEU 20 2HD2 LEU 20 5.728 -2.889 -7.955
130 3HD1 LEU 20 3HD2 LEU 20 4.202 -3.790 -7.755
131 1HD2 LEU 20 1HD1 LEU 20 2.851 -3.097 -10.464
132 2HD2 LEU 20 2HD1 LEU 20 2.135 -1.526 -10.052
133 3HD2 LEU 20 3HD1 LEU 20 2.002 -2.890 -8.915
134 H CYS 21 H CYS 21 4.437 0.071 -4.814
135 HA CYS 21 HA CYS 21 6.190 -2.109 -4.045
136 1HB CYS 21 1HB CYS 21 6.848 -0.492 -2.346
137 2HB CYS 21 2HB CYS 21 7.023 0.090 -3.994
138 H CYS 22 H CYS 22 3.170 -1.056 -2.567
139 HA CYS 22 HA CYS 22 3.644 -2.803 -0.137
140 1HB CYS 22 2HB CYS 22 4.115 -0.363 0.602
141 2HB CYS 22 1HB CYS 22 2.399 -0.022 0.317
142 H ARG 23 H ARG 23 2.628 -3.479 -2.087
143 HA ARG 23 HA ARG 23 -0.209 -2.910 -2.487
144 1HB ARG 23 1HB ARG 23 1.635 -2.809 -4.104
145 2HB ARG 23 2HB ARG 23 1.497 -4.470 -4.499
146 1HG ARG 23 1HG ARG 23 -0.729 -2.335 -4.715
147 2HG ARG 23 2HG ARG 23 0.303 -2.856 -6.033
148 1HD ARG 23 2HD ARG 23 -0.659 -5.149 -5.992
149 2HD ARG 23 1HD ARG 23 -1.638 -4.754 -4.577
150 HE ARG 23 HE ARG 23 -1.954 -3.194 -7.209
151 1HH1 ARG 23 2HH2 ARG 23 -3.492 -5.140 -4.656
152 2HH1 ARG 23 1HH2 ARG 23 -5.141 -4.809 -5.388
153 1HH2 ARG 23 1HH1 ARG 23 -3.872 -2.896 -7.950
154 2HH2 ARG 23 2HH1 ARG 23 -5.339 -3.626 -7.124
155 H LYS 24 H LYS 24 1.469 -6.079 -2.649
156 HA LYS 24 HA LYS 24 -1.159 -7.526 -2.091
157 1HB LYS 24 1HB LYS 24 1.504 -8.414 -3.406
158 2HB LYS 24 2HB LYS 24 0.201 -9.492 -3.018
159 1HG LYS 24 1HG LYS 24 -0.059 -7.149 -5.002
160 2HG LYS 24 2HG LYS 24 0.190 -8.829 -5.425
161 1HD LYS 24 1HD LYS 24 -2.033 -9.430 -4.352
162 2HD LYS 24 2HD LYS 24 -2.305 -7.719 -4.001
163 1HE LYS 24 2HE LYS 24 -2.177 -7.175 -6.476
164 2HE LYS 24 1HE LYS 24 -1.919 -8.888 -6.839
165 1HZ LYS 24 HZ1 LYS 24 -4.333 -7.766 -5.498
166 2HZ LYS 24 HZ2 LYS 24 -4.243 -8.274 -7.068
167 3HZ LYS 24 HZ3 LYS 24 -4.094 -9.365 -5.836
168 1HN NH2 25 1HN NH2 25 0.759 -9.807 -1.204
169 2HN NH2 25 2HN NH2 25 0.765 -9.474 0.648
Start of MODEL 5
1 1H GLY 1 1H GLY 1 -0.307 13.293 -5.196
2 2H GLY 1 2H GLY 1 -0.213 11.645 -5.254
3 3H GLY 1 3H GLY 1 -1.678 12.394 -5.403
4 1HA GLY 1 2HA GLY 1 -1.628 13.168 -3.098
5 2HA GLY 1 1HA GLY 1 -1.468 11.438 -3.165
6 HA HYP 2 HA HYP 2 2.091 12.349 -0.702
7 1HB HYP 2 1HB HYP 2 1.218 11.214 1.720
8 2HB HYP 2 2HB HYP 2 1.256 12.947 1.321
9 1HD HYP 2 1HD HYP 2 -1.844 12.677 -0.911
10 2HD HYP 2 2HD HYP 2 -1.597 10.951 -0.864
11 HOD HYP 2 HOD HYP 2 -0.674 13.991 0.779
12 HG HYP 2 HG HYP 2 -1.270 11.357 1.604
13 HA HYP 3 HA HYP 3 3.612 8.363 -1.854
14 1HB HYP 3 1HB HYP 3 5.488 8.506 0.528
15 2HB HYP 3 2HB HYP 3 5.944 8.306 -1.150
16 1HD HYP 3 1HD HYP 3 4.124 11.212 0.904
17 2HD HYP 3 2HD HYP 3 4.091 11.792 -0.734
18 HOD HYP 3 HOD HYP 3 5.140 10.388 -2.441
19 HG HYP 3 HG HYP 3 6.308 10.661 0.136
20 H CYS 4 H CYS 4 2.991 6.610 -1.700
21 HA CYS 4 HA CYS 4 1.836 4.958 0.377
22 1HB CYS 4 1HB CYS 4 1.300 4.943 -2.007
23 2HB CYS 4 2HB CYS 4 2.868 4.554 -2.435
24 H CYS 5 H CYS 5 4.991 5.192 -1.065
25 HA CYS 5 HA CYS 5 6.179 3.403 0.961
26 1HB CYS 5 1HB CYS 5 7.160 3.314 -1.841
27 2HB CYS 5 2HB CYS 5 7.596 2.295 -0.489
28 H LEU 6 H LEU 6 7.600 4.580 1.678
29 HA LEU 6 HA LEU 6 8.879 7.031 0.489
30 1HB LEU 6 2HB LEU 6 7.045 7.585 1.899
31 2HB LEU 6 1HB LEU 6 7.890 6.927 3.273
32 HG LEU 6 HG LEU 6 7.963 9.380 2.909
33 1HD1 LEU 6 1HD1 LEU 6 10.702 8.134 3.230
34 2HD1 LEU 6 2HD1 LEU 6 9.460 8.232 4.496
35 3HD1 LEU 6 3HD1 LEU 6 10.179 9.729 3.856
36 1HD2 LEU 6 1HD2 LEU 6 9.543 10.547 1.468
37 2HD2 LEU 6 2HD2 LEU 6 8.449 9.559 0.472
38 3HD2 LEU 6 3HD2 LEU 6 10.116 9.008 0.782
39 H TYR 7 H TYR 7 11.054 6.807 0.673
40 HA TYR 7 HA TYR 7 12.936 5.515 0.438
41 1HB TYR 7 1HB TYR 7 12.406 5.146 3.324
42 2HB TYR 7 2HB TYR 7 13.885 4.995 2.462
43 HD1 TYR 7 1HD TYR 7 13.003 6.860 4.938
44 HD2 TYR 7 2HD TYR 7 13.561 7.741 0.751
45 HE1 TYR 7 1HE TYR 7 13.509 9.194 5.478
46 HE2 TYR 7 2HE TYR 7 14.052 10.064 1.323
47 HH TYR 7 HH TYR 7 14.014 11.197 4.694
48 H GLY 8 H GLY 8 11.063 3.960 -0.520
49 1HA GLY 8 1HA GLY 8 10.877 1.721 -1.302
50 2HA GLY 8 2HA GLY 8 12.022 1.116 -0.105
51 H SER 9 H SER 9 10.121 2.624 1.863
52 HA SER 9 HA SER 9 9.357 -0.142 2.656
53 1HB SER 9 2HB SER 9 10.733 1.504 4.062
54 2HB SER 9 1HB SER 9 9.267 2.229 4.623
55 HG SER 9 HG SER 9 9.950 0.554 5.936
56 H CYS 10 H CYS 10 7.286 0.794 4.709
57 HA CYS 10 HA CYS 10 4.840 0.923 2.846
58 1HB CYS 10 2HB CYS 10 5.265 -0.933 5.246
59 2HB CYS 10 1HB CYS 10 3.649 -0.417 4.755
60 H ARG 11 H ARG 11 3.813 2.705 3.157
61 HA ARG 11 HA ARG 11 3.609 4.079 5.855
62 1HB ARG 11 1HB ARG 11 5.405 5.021 4.508
63 2HB ARG 11 2HB ARG 11 4.238 5.391 3.216
64 1HG ARG 11 1HG ARG 11 2.994 6.895 4.654
65 2HG ARG 11 2HG ARG 11 3.907 6.419 6.082
66 1HD ARG 11 2HD ARG 11 5.171 7.953 3.692
67 2HD ARG 11 1HD ARG 11 4.475 8.726 5.114
68 HE ARG 11 HE ARG 11 6.551 6.583 5.640
69 1HH1 ARG 11 1HH2 ARG 11 5.928 10.083 5.455
70 2HH1 ARG 11 2HH2 ARG 11 7.367 10.417 6.543
71 1HH2 ARG 11 1HH1 ARG 11 8.162 7.086 6.895
72 2HH2 ARG 11 2HH1 ARG 11 8.545 8.834 7.302
73 HA HYP 12 HA HYP 12 -0.353 2.798 4.006
74 1HB HYP 12 1HB HYP 12 -2.090 2.916 6.192
75 2HB HYP 12 2HB HYP 12 -0.840 1.668 5.921
76 1HD HYP 12 1HD HYP 12 1.874 2.575 6.714
77 2HD HYP 12 2HD HYP 12 1.777 4.290 7.210
78 HOD HYP 12 HOD HYP 12 0.448 2.629 8.982
79 HG HYP 12 HG HYP 12 -0.543 4.200 7.669
80 H PHE 13 H PHE 13 -1.650 3.757 2.756
81 HA PHE 13 HA PHE 13 -3.257 6.251 3.386
82 1HB PHE 13 1HB PHE 13 -1.212 6.081 1.037
83 2HB PHE 13 2HB PHE 13 -2.467 7.234 1.020
84 HD1 PHE 13 1HD PHE 13 0.853 6.826 1.940
85 HD2 PHE 13 2HD PHE 13 -2.751 8.764 3.179
86 HE1 PHE 13 1HE PHE 13 2.191 8.528 3.205
87 HE2 PHE 13 2HE PHE 13 -1.447 10.433 4.437
88 HZ PHE 13 HZ PHE 13 1.036 10.306 4.468
89 HA HYP 14 HA HYP 14 -6.130 4.441 0.560
90 1HB HYP 14 1HB HYP 14 -7.608 6.491 -0.177
91 2HB HYP 14 2HB HYP 14 -7.462 5.850 1.472
92 1HD HYP 14 1HD HYP 14 -4.313 7.851 2.016
93 2HD HYP 14 2HD HYP 14 -5.584 7.021 2.980
94 HOD HYP 14 HOD HYP 14 -7.566 7.851 2.639
95 HG HYP 14 HG HYP 14 -5.901 8.294 0.388
96 H GLY 15 H GLY 15 -5.815 3.786 -1.189
97 1HA GLY 15 1HA GLY 15 -5.021 3.238 -3.391
98 2HA GLY 15 2HA GLY 15 -4.554 4.905 -3.552
99 H CYS 16 H CYS 16 -3.157 3.502 -0.855
100 HA CYS 16 HA CYS 16 -0.467 3.229 -2.120
101 1HB CYS 16 1HB CYS 16 -0.397 4.298 -0.105
102 2HB CYS 16 2HB CYS 16 -1.355 3.057 0.785
103 H TYR 17 H TYR 17 -2.452 1.140 -0.165
104 HA TYR 17 HA TYR 17 -1.417 -1.497 -1.080
105 1HB TYR 17 1HB TYR 17 -3.591 -2.466 -0.288
106 2HB TYR 17 2HB TYR 17 -2.534 -1.751 0.868
107 HD1 TYR 17 1HD TYR 17 -5.717 -0.889 -1.092
108 HD2 TYR 17 2HD TYR 17 -3.264 0.044 2.333
109 HE1 TYR 17 1HE TYR 17 -7.419 0.661 -0.267
110 HE2 TYR 17 2HE TYR 17 -4.974 1.580 3.133
111 HH TYR 17 HH TYR 17 -7.980 2.132 1.294
112 H ASN 18 H ASN 18 -3.264 0.730 -2.882
113 HA ASN 18 HA ASN 18 -3.632 -1.309 -5.107
114 1HB ASN 18 1HB ASN 18 -5.475 0.320 -4.810
115 2HB ASN 18 2HB ASN 18 -4.372 1.594 -5.122
116 1HD2 ASN 18 1HD2 ASN 18 -3.890 1.768 -7.502
117 2HD2 ASN 18 2HD2 ASN 18 -5.012 0.899 -8.674
118 H ALA 19 H ALA 19 -1.280 0.894 -3.993
119 HA ALA 19 HA ALA 19 0.109 1.250 -6.675
120 1HB ALA 19 1HB ALA 19 0.827 2.430 -3.867
121 2HB ALA 19 2HB ALA 19 -0.044 3.317 -5.131
122 3HB ALA 19 HB3 ALA 19 1.645 2.839 -5.376
123 H LEU 20 H LEU 20 2.171 0.738 -6.971
124 HA LEU 20 HA LEU 20 2.116 -1.967 -6.715
125 1HB LEU 20 1HB LEU 20 2.938 -0.521 -8.656
126 2HB LEU 20 2HB LEU 20 4.506 -0.441 -7.906
127 HG LEU 20 HG LEU 20 4.300 -1.979 -9.822
128 1HD1 LEU 20 1HD2 LEU 20 5.042 -3.660 -7.362
129 2HD1 LEU 20 2HD2 LEU 20 6.090 -2.427 -8.108
130 3HD1 LEU 20 3HD2 LEU 20 5.600 -3.862 -9.033
131 1HD2 LEU 20 1HD1 LEU 20 2.502 -3.824 -8.137
132 2HD2 LEU 20 2HD1 LEU 20 3.102 -4.125 -9.785
133 3HD2 LEU 20 3HD1 LEU 20 1.954 -2.803 -9.490
134 H CYS 21 H CYS 21 4.648 0.054 -5.174
135 HA CYS 21 HA CYS 21 6.413 -2.026 -4.232
136 1HB CYS 21 1HB CYS 21 7.134 -0.187 -2.751
137 2HB CYS 21 2HB CYS 21 7.287 0.120 -4.472
138 H CYS 22 H CYS 22 3.514 -0.742 -2.682
139 HA CYS 22 HA CYS 22 3.877 -2.570 -0.344
140 1HB CYS 22 1HB CYS 22 4.373 -0.142 0.519
141 2HB CYS 22 2HB CYS 22 2.655 0.183 0.222
142 H ARG 23 H ARG 23 2.704 -2.884 -2.759
143 HA ARG 23 HA ARG 23 -0.087 -2.526 -2.715
144 1HB ARG 23 2HB ARG 23 1.375 -3.302 -4.750
145 2HB ARG 23 1HB ARG 23 1.010 -4.944 -4.256
146 1HG ARG 23 2HG ARG 23 -1.499 -4.318 -4.427
147 2HG ARG 23 1HG ARG 23 -0.999 -2.692 -4.890
148 1HD ARG 23 2HD ARG 23 0.305 -3.866 -6.881
149 2HD ARG 23 1HD ARG 23 -0.627 -5.309 -6.498
150 HE ARG 23 HE ARG 23 -1.654 -2.650 -7.562
151 1HH1 ARG 23 1HH1 ARG 23 -2.598 -5.876 -6.402
152 2HH1 ARG 23 2HH1 ARG 23 -4.281 -5.652 -7.098
153 1HH2 ARG 23 1HH2 ARG 23 -3.587 -2.521 -8.353
154 2HH2 ARG 23 2HH2 ARG 23 -4.801 -3.878 -8.128
155 H LYS 24 H LYS 24 1.537 -5.553 -1.854
156 HA LYS 24 HA LYS 24 -1.037 -6.683 -0.596
157 1HB LYS 24 2HB LYS 24 0.297 -8.011 -2.328
158 2HB LYS 24 1HB LYS 24 1.584 -8.146 -1.125
159 1HG LYS 24 1HG LYS 24 -0.046 -9.296 0.446
160 2HG LYS 24 2HG LYS 24 -1.322 -9.154 -0.752
161 1HD LYS 24 2HD LYS 24 1.317 -10.713 -1.158
162 2HD LYS 24 1HD LYS 24 -0.191 -11.421 -0.596
163 1HE LYS 24 1HE LYS 24 -1.334 -10.770 -2.775
164 2HE LYS 24 2HE LYS 24 0.191 -10.098 -3.369
165 1HZ LYS 24 HZ1 LYS 24 1.191 -12.311 -3.144
166 2HZ LYS 24 HZ2 LYS 24 -0.232 -12.942 -2.592
167 3HZ LYS 24 HZ3 LYS 24 -0.129 -12.361 -4.135
168 1HN NH2 25 1HN NH2 25 -0.492 -4.825 1.281
169 2HN NH2 25 2HN NH2 25 0.659 -5.537 2.556
Start of MODEL 6
1 1H GLY 1 1H GLY 1 -0.093 13.916 -5.038
2 2H GLY 1 2H GLY 1 -0.545 12.404 -5.526
3 3H GLY 1 3H GLY 1 -1.676 13.600 -5.389
4 1HA GLY 1 1HA GLY 1 -1.407 13.699 -2.978
5 2HA GLY 1 2HA GLY 1 -1.909 12.114 -3.488
6 HA HYP 2 HA HYP 2 1.900 12.428 -0.750
7 1HB HYP 2 1HB HYP 2 1.020 10.948 1.503
8 2HB HYP 2 2HB HYP 2 0.999 12.701 1.344
9 1HD HYP 2 1HD HYP 2 -2.103 11.824 -1.208
10 2HD HYP 2 2HD HYP 2 -1.489 13.359 -0.707
11 HOD HYP 2 HOD HYP 2 -1.261 12.299 2.562
12 HG HYP 2 HG HYP 2 -1.380 10.799 0.865
13 HA HYP 3 HA HYP 3 3.561 8.358 -2.007
14 1HB HYP 3 1HB HYP 3 5.513 8.631 0.313
15 2HB HYP 3 2HB HYP 3 5.874 8.367 -1.366
16 1HD HYP 3 1HD HYP 3 3.878 11.973 -0.966
17 2HD HYP 3 2HD HYP 3 4.126 11.229 0.620
18 HOD HYP 3 HOD HYP 3 6.453 10.270 -2.530
19 HG HYP 3 HG HYP 3 6.266 10.821 -0.323
20 H CYS 4 H CYS 4 3.052 6.573 -1.754
21 HA CYS 4 HA CYS 4 1.916 5.068 0.452
22 1HB CYS 4 1HB CYS 4 1.348 4.932 -1.934
23 2HB CYS 4 2HB CYS 4 2.912 4.481 -2.341
24 H CYS 5 H CYS 5 5.048 5.245 -1.000
25 HA CYS 5 HA CYS 5 6.270 3.523 1.093
26 1HB CYS 5 1HB CYS 5 7.189 3.412 -1.729
27 2HB CYS 5 2HB CYS 5 7.782 2.486 -0.365
28 H LEU 6 H LEU 6 7.688 4.768 1.803
29 HA LEU 6 HA LEU 6 9.049 7.068 0.423
30 1HB LEU 6 2HB LEU 6 7.546 7.802 2.210
31 2HB LEU 6 1HB LEU 6 8.560 6.979 3.372
32 HG LEU 6 HG LEU 6 10.356 8.509 2.682
33 1HD1 LEU 6 1HD2 LEU 6 9.570 9.250 0.388
34 2HD1 LEU 6 2HD2 LEU 6 8.154 10.032 1.137
35 3HD1 LEU 6 3HD2 LEU 6 9.795 10.668 1.432
36 1HD2 LEU 6 1HD1 LEU 6 7.939 9.875 3.832
37 2HD2 LEU 6 2HD1 LEU 6 9.635 10.470 3.915
38 3HD2 LEU 6 3HD1 LEU 6 9.200 8.932 4.693
39 H TYR 7 H TYR 7 11.142 6.543 0.168
40 HA TYR 7 HA TYR 7 12.990 5.304 0.052
41 1HB TYR 7 1HB TYR 7 12.705 5.462 2.987
42 2HB TYR 7 2HB TYR 7 14.054 4.869 2.110
43 HD1 TYR 7 1HD TYR 7 12.480 7.885 3.382
44 HD2 TYR 7 2HD TYR 7 15.280 6.543 0.396
45 HE1 TYR 7 1HE TYR 7 13.329 10.176 3.134
46 HE2 TYR 7 2HE TYR 7 16.123 8.840 0.173
47 HH TYR 7 HH TYR 7 14.763 11.507 2.099
48 H GLY 8 H GLY 8 11.075 3.598 -0.534
49 1HA GLY 8 1HA GLY 8 10.963 1.287 -1.114
50 2HA GLY 8 2HA GLY 8 12.153 0.833 0.124
51 H SER 9 H SER 9 10.069 2.638 1.836
52 HA SER 9 HA SER 9 9.433 0.168 3.183
53 1HB SER 9 1HB SER 9 9.079 1.785 5.000
54 2HB SER 9 2HB SER 9 10.385 2.345 4.207
55 HG SER 9 HG SER 9 8.824 3.943 4.668
56 H CYS 10 H CYS 10 7.076 0.779 4.620
57 HA CYS 10 HA CYS 10 4.886 1.200 2.551
58 1HB CYS 10 2HB CYS 10 4.931 -1.297 3.382
59 2HB CYS 10 1HB CYS 10 4.296 -0.619 4.905
60 H ARG 11 H ARG 11 3.415 2.523 3.140
61 HA ARG 11 HA ARG 11 3.337 3.956 5.816
62 1HB ARG 11 1HB ARG 11 5.086 4.849 4.370
63 2HB ARG 11 2HB ARG 11 3.864 5.231 3.138
64 1HG ARG 11 2HG ARG 11 2.779 6.849 4.550
65 2HG ARG 11 1HG ARG 11 3.636 6.330 5.990
66 1HD ARG 11 1HD ARG 11 5.053 7.672 3.569
67 2HD ARG 11 2HD ARG 11 4.454 8.556 4.961
68 HE ARG 11 HE ARG 11 6.449 6.240 5.297
69 1HH1 ARG 11 2HH2 ARG 11 5.620 9.627 6.013
70 2HH1 ARG 11 1HH2 ARG 11 7.025 9.734 7.189
71 1HH2 ARG 11 2HH1 ARG 11 8.038 6.493 6.624
72 2HH2 ARG 11 1HH1 ARG 11 8.299 8.079 7.509
73 HA HYP 12 HA HYP 12 -0.739 2.775 4.149
74 1HB HYP 12 1HB HYP 12 -2.398 3.047 6.370
75 2HB HYP 12 2HB HYP 12 -1.185 1.753 6.133
76 1HD HYP 12 1HD HYP 12 1.564 2.599 6.805
77 2HD HYP 12 2HD HYP 12 1.547 4.339 7.211
78 HOD HYP 12 HOD HYP 12 -1.297 2.398 8.781
79 HG HYP 12 HG HYP 12 -0.767 4.362 7.735
80 H PHE 13 H PHE 13 -1.927 3.780 2.840
81 HA PHE 13 HA PHE 13 -3.482 6.324 3.378
82 1HB PHE 13 1HB PHE 13 -1.348 6.081 1.118
83 2HB PHE 13 2HB PHE 13 -2.570 7.264 1.038
84 HD1 PHE 13 1HD PHE 13 -2.900 8.794 3.207
85 HD2 PHE 13 2HD PHE 13 0.710 6.836 2.012
86 HE1 PHE 13 1HE PHE 13 -1.597 10.505 4.415
87 HE2 PHE 13 2HE PHE 13 2.043 8.573 3.230
88 HZ PHE 13 HZ PHE 13 0.886 10.382 4.447
89 HA HYP 14 HA HYP 14 -6.261 4.549 0.438
90 1HB HYP 14 1HB HYP 14 -7.665 6.621 -0.380
91 2HB HYP 14 2HB HYP 14 -7.603 5.991 1.279
92 1HD HYP 14 1HD HYP 14 -4.441 7.934 1.949
93 2HD HYP 14 2HD HYP 14 -5.771 7.137 2.859
94 HOD HYP 14 HOD HYP 14 -7.718 8.006 2.425
95 HG HYP 14 HG HYP 14 -5.948 8.394 0.245
96 H GLY 15 H GLY 15 -5.883 3.867 -1.285
97 1HA GLY 15 1HA GLY 15 -5.031 3.287 -3.448
98 2HA GLY 15 2HA GLY 15 -4.519 4.942 -3.618
99 H CYS 16 H CYS 16 -3.198 3.699 -0.856
100 HA CYS 16 HA CYS 16 -0.493 3.294 -2.055
101 1HB CYS 16 1HB CYS 16 -0.421 4.493 -0.119
102 2HB CYS 16 2HB CYS 16 -1.437 3.359 0.839
103 H TYR 17 H TYR 17 -2.583 1.363 -0.049
104 HA TYR 17 HA TYR 17 -1.363 -1.309 -0.550
105 1HB TYR 17 1HB TYR 17 -3.597 -2.276 0.124
106 2HB TYR 17 2HB TYR 17 -2.632 -1.466 1.294
107 HD1 TYR 17 1HD TYR 17 -3.484 0.385 2.596
108 HD2 TYR 17 2HD TYR 17 -5.706 -0.805 -0.910
109 HE1 TYR 17 1HE TYR 17 -5.299 1.873 3.235
110 HE2 TYR 17 2HE TYR 17 -7.512 0.703 -0.245
111 HH TYR 17 HH TYR 17 -8.219 2.212 1.215
112 H ASN 18 H ASN 18 -3.426 0.581 -2.598
113 HA ASN 18 HA ASN 18 -3.546 -1.568 -4.714
114 1HB ASN 18 1HB ASN 18 -5.403 0.103 -4.576
115 2HB ASN 18 2HB ASN 18 -4.266 1.328 -4.967
116 1HD2 ASN 18 1HD2 ASN 18 -3.995 1.491 -7.357
117 2HD2 ASN 18 2HD2 ASN 18 -4.993 0.407 -8.453
118 H ALA 19 H ALA 19 -1.193 0.749 -3.735
119 HA ALA 19 HA ALA 19 0.018 1.145 -6.474
120 1HB ALA 19 1HB ALA 19 1.615 2.725 -5.233
121 2HB ALA 19 2HB ALA 19 0.937 2.225 -3.682
122 3HB ALA 19 HB3 ALA 19 -0.057 3.138 -4.832
123 H LEU 20 H LEU 20 2.054 0.792 -6.965
124 HA LEU 20 HA LEU 20 2.277 -1.929 -6.811
125 1HB LEU 20 1HB LEU 20 2.874 -0.348 -8.797
126 2HB LEU 20 2HB LEU 20 4.493 -0.333 -8.139
127 HG LEU 20 HG LEU 20 4.278 -3.018 -8.209
128 1HD1 LEU 20 1HD1 LEU 20 1.817 -3.147 -8.704
129 2HD1 LEU 20 2HD1 LEU 20 2.774 -3.903 -9.988
130 3HD1 LEU 20 3HD1 LEU 20 2.069 -2.286 -10.241
131 1HD2 LEU 20 1HD2 LEU 20 4.550 -1.405 -10.795
132 2HD2 LEU 20 2HD2 LEU 20 5.121 -3.080 -10.509
133 3HD2 LEU 20 3HD2 LEU 20 5.837 -1.733 -9.597
134 H CYS 21 H CYS 21 4.633 0.310 -5.204
135 HA CYS 21 HA CYS 21 6.602 -1.691 -4.458
136 1HB CYS 21 1HB CYS 21 7.209 -0.025 -2.819
137 2HB CYS 21 2HB CYS 21 7.281 0.553 -4.479
138 H CYS 22 H CYS 22 3.703 -0.402 -2.715
139 HA CYS 22 HA CYS 22 4.036 -2.581 -0.591
140 1HB CYS 22 2HB CYS 22 4.085 -0.191 0.326
141 2HB CYS 22 1HB CYS 22 2.416 0.012 -0.235
142 H ARG 23 H ARG 23 3.387 -3.633 -2.633
143 HA ARG 23 HA ARG 23 0.707 -3.508 -3.548
144 1HB ARG 23 1HB ARG 23 1.220 -5.377 -4.985
145 2HB ARG 23 2HB ARG 23 2.414 -4.129 -5.044
146 1HG ARG 23 2HG ARG 23 3.965 -5.590 -3.588
147 2HG ARG 23 1HG ARG 23 2.732 -6.826 -3.581
148 1HD ARG 23 1HD ARG 23 4.134 -7.590 -5.323
149 2HD ARG 23 2HD ARG 23 2.845 -6.805 -6.229
150 HE ARG 23 HE ARG 23 5.044 -4.895 -5.688
151 1HH1 ARG 23 1HH1 ARG 23 4.230 -7.650 -7.783
152 2HH1 ARG 23 2HH1 ARG 23 5.459 -7.086 -9.024
153 1HH2 ARG 23 1HH2 ARG 23 6.414 -4.349 -7.164
154 2HH2 ARG 23 2HH2 ARG 23 6.611 -5.343 -8.694
155 H LYS 24 H LYS 24 -0.025 -3.621 -1.327
156 HA LYS 24 HA LYS 24 -0.828 -6.340 -0.219
157 1HB LYS 24 1HB LYS 24 -1.436 -3.485 0.681
158 2HB LYS 24 2HB LYS 24 -2.002 -4.893 1.503
159 1HG LYS 24 2HG LYS 24 0.204 -5.661 2.180
160 2HG LYS 24 1HG LYS 24 1.010 -4.491 1.151
161 1HD LYS 24 2HD LYS 24 1.161 -3.646 3.391
162 2HD LYS 24 1HD LYS 24 0.091 -2.592 2.495
163 1HE LYS 24 2HE LYS 24 -0.843 -2.863 4.706
164 2HE LYS 24 1HE LYS 24 -1.930 -3.691 3.597
165 1HZ LYS 24 HZ1 LYS 24 -1.492 -5.014 5.573
166 2HZ LYS 24 HZ2 LYS 24 0.137 -5.012 5.300
167 3HZ LYS 24 HZ3 LYS 24 -0.874 -5.807 4.262
168 1HN NH2 25 1HN NH2 25 -2.110 -6.526 -2.641
169 2HN NH2 25 2HN NH2 25 -3.870 -5.952 -2.430
Start of MODEL 7
1 1H GLY 1 1H GLY 1 0.136 12.549 -5.580
2 2H GLY 1 2H GLY 1 -1.339 13.293 -5.572
3 3H GLY 1 3H GLY 1 0.018 14.146 -5.172
4 1HA GLY 1 2HA GLY 1 -1.313 13.558 -3.159
5 2HA GLY 1 1HA GLY 1 -1.109 11.882 -3.581
6 HA HYP 2 HA HYP 2 2.391 12.395 -0.933
7 1HB HYP 2 1HB HYP 2 1.514 10.920 1.315
8 2HB HYP 2 2HB HYP 2 1.526 12.680 1.187
9 1HD HYP 2 1HD HYP 2 -1.616 11.842 -1.323
10 2HD HYP 2 2HD HYP 2 -1.090 13.402 -0.767
11 HOD HYP 2 HOD HYP 2 -0.705 12.309 2.462
12 HG HYP 2 HG HYP 2 -0.908 10.837 0.753
13 HA HYP 3 HA HYP 3 3.671 8.230 -2.345
14 1HB HYP 3 1HB HYP 3 5.768 8.343 -0.158
15 2HB HYP 3 2HB HYP 3 6.004 8.099 -1.865
16 1HD HYP 3 1HD HYP 3 4.319 11.823 -1.258
17 2HD HYP 3 2HD HYP 3 4.571 11.016 0.296
18 HOD HYP 3 HOD HYP 3 5.107 10.203 -3.140
19 HG HYP 3 HG HYP 3 6.640 10.476 -0.758
20 H CYS 4 H CYS 4 2.938 6.535 -2.032
21 HA CYS 4 HA CYS 4 1.812 5.060 0.162
22 1HB CYS 4 1HB CYS 4 1.275 4.890 -2.201
23 2HB CYS 4 2HB CYS 4 2.836 4.434 -2.612
24 H CYS 5 H CYS 5 4.963 5.082 -1.240
25 HA CYS 5 HA CYS 5 6.084 3.515 1.020
26 1HB CYS 5 1HB CYS 5 7.229 3.276 -1.703
27 2HB CYS 5 2HB CYS 5 7.679 2.431 -0.238
28 H LEU 6 H LEU 6 7.351 4.892 1.761
29 HA LEU 6 HA LEU 6 8.791 7.118 0.361
30 1HB LEU 6 1HB LEU 6 6.871 7.887 1.867
31 2HB LEU 6 2HB LEU 6 7.909 7.403 3.142
32 HG LEU 6 HG LEU 6 8.159 9.755 1.447
33 1HD1 LEU 6 1HD1 LEU 6 8.484 9.373 4.460
34 2HD1 LEU 6 2HD1 LEU 6 8.456 10.935 3.599
35 3HD1 LEU 6 3HD1 LEU 6 6.994 9.911 3.636
36 1HD2 LEU 6 1HD2 LEU 6 10.506 8.618 3.024
37 2HD2 LEU 6 2HD2 LEU 6 10.459 8.833 1.255
38 3HD2 LEU 6 3HD2 LEU 6 10.475 10.258 2.325
39 H TYR 7 H TYR 7 10.943 6.922 0.868
40 HA TYR 7 HA TYR 7 12.801 5.664 0.927
41 1HB TYR 7 1HB TYR 7 11.889 5.216 3.702
42 2HB TYR 7 2HB TYR 7 13.466 5.061 3.054
43 HD1 TYR 7 1HD TYR 7 13.824 7.687 1.471
44 HD2 TYR 7 2HD TYR 7 11.894 7.025 5.269
45 HE1 TYR 7 1HE TYR 7 14.334 9.985 2.148
46 HE2 TYR 7 2HE TYR 7 12.425 9.328 5.923
47 HH TYR 7 HH TYR 7 14.151 11.526 3.721
48 H GLY 8 H GLY 8 10.985 4.035 -0.193
49 1HA GLY 8 1HA GLY 8 10.924 1.783 -1.044
50 2HA GLY 8 2HA GLY 8 12.105 1.243 0.166
51 H SER 9 H SER 9 9.712 2.779 1.895
52 HA SER 9 HA SER 9 9.399 0.212 3.162
53 1HB SER 9 1HB SER 9 8.598 1.783 4.953
54 2HB SER 9 2HB SER 9 9.941 2.458 4.290
55 HG SER 9 HG SER 9 8.402 3.719 2.977
56 H CYS 10 H CYS 10 7.038 0.197 4.470
57 HA CYS 10 HA CYS 10 4.780 0.738 2.493
58 1HB CYS 10 2HB CYS 10 4.750 -1.716 3.499
59 2HB CYS 10 1HB CYS 10 4.147 -0.877 4.955
60 H ARG 11 H ARG 11 3.557 2.293 3.066
61 HA ARG 11 HA ARG 11 3.824 3.857 5.671
62 1HB ARG 11 1HB ARG 11 5.626 4.324 4.031
63 2HB ARG 11 2HB ARG 11 4.393 4.873 2.900
64 1HG ARG 11 2HG ARG 11 5.197 6.829 3.692
65 2HG ARG 11 1HG ARG 11 3.713 6.636 4.602
66 1HD ARG 11 1HD ARG 11 5.596 7.529 6.032
67 2HD ARG 11 2HD ARG 11 5.013 6.001 6.673
68 HE ARG 11 HE ARG 11 7.017 4.891 5.369
69 1HH1 ARG 11 1HH1 ARG 11 7.212 8.117 6.866
70 2HH1 ARG 11 2HH1 ARG 11 9.014 7.899 7.138
71 1HH2 ARG 11 2HH2 ARG 11 9.083 4.771 5.711
72 2HH2 ARG 11 1HH2 ARG 11 9.997 6.135 6.529
73 HA HYP 12 HA HYP 12 -0.314 2.935 4.098
74 1HB HYP 12 1HB HYP 12 -1.943 3.272 6.339
75 2HB HYP 12 2HB HYP 12 -0.789 1.930 6.081
76 1HD HYP 12 1HD HYP 12 1.993 2.640 6.685
77 2HD HYP 12 2HD HYP 12 2.085 4.369 7.125
78 HOD HYP 12 HOD HYP 12 0.340 1.745 8.026
79 HG HYP 12 HG HYP 12 -0.232 4.512 7.682
80 H PHE 13 H PHE 13 -1.557 3.929 2.828
81 HA PHE 13 HA PHE 13 -2.936 6.586 3.341
82 1HB PHE 13 1HB PHE 13 -0.914 6.120 1.015
83 2HB PHE 13 2HB PHE 13 -2.059 7.378 0.933
84 HD1 PHE 13 1HD PHE 13 -2.205 9.038 2.990
85 HD2 PHE 13 2HD PHE 13 1.192 6.666 1.955
86 HE1 PHE 13 1HE PHE 13 -0.760 10.625 4.204
87 HE2 PHE 13 2HE PHE 13 2.677 8.254 3.203
88 HZ PHE 13 HZ PHE 13 1.693 10.222 4.332
89 HA HYP 14 HA HYP 14 -6.006 4.908 0.696
90 1HB HYP 14 1HB HYP 14 -7.302 7.035 -0.173
91 2HB HYP 14 2HB HYP 14 -7.181 6.496 1.514
92 1HD HYP 14 1HD HYP 14 -3.840 8.213 1.875
93 2HD HYP 14 2HD HYP 14 -5.159 7.553 2.900
94 HOD HYP 14 HOD HYP 14 -6.144 9.796 2.082
95 HG HYP 14 HG HYP 14 -5.414 8.696 0.239
96 H GLY 15 H GLY 15 -5.814 4.079 -0.981
97 1HA GLY 15 1HA GLY 15 -5.218 3.272 -3.169
98 2HA GLY 15 2HA GLY 15 -4.643 4.877 -3.516
99 H CYS 16 H CYS 16 -3.175 3.646 -0.790
100 HA CYS 16 HA CYS 16 -0.570 3.196 -2.156
101 1HB CYS 16 1HB CYS 16 -0.382 4.371 -0.212
102 2HB CYS 16 2HB CYS 16 -1.333 3.219 0.795
103 H TYR 17 H TYR 17 -2.573 1.263 -0.095
104 HA TYR 17 HA TYR 17 -1.457 -1.442 -0.611
105 1HB TYR 17 1HB TYR 17 -3.818 -2.273 -0.033
106 2HB TYR 17 2HB TYR 17 -2.770 -1.657 1.176
107 HD1 TYR 17 1HD TYR 17 -3.410 0.144 2.630
108 HD2 TYR 17 2HD TYR 17 -5.721 -0.438 -0.970
109 HE1 TYR 17 1HE TYR 17 -4.969 1.866 3.348
110 HE2 TYR 17 2HE TYR 17 -7.271 1.300 -0.223
111 HH TYR 17 HH TYR 17 -6.785 3.041 2.842
112 H ASN 18 H ASN 18 -3.497 0.501 -2.660
113 HA ASN 18 HA ASN 18 -3.660 -1.636 -4.783
114 1HB ASN 18 1HB ASN 18 -5.496 0.041 -4.619
115 2HB ASN 18 2HB ASN 18 -4.362 1.268 -5.010
116 1HD2 ASN 18 1HD2 ASN 18 -4.079 1.429 -7.401
117 2HD2 ASN 18 2HD2 ASN 18 -5.110 0.376 -8.498
118 H ALA 19 H ALA 19 -1.277 0.665 -3.841
119 HA ALA 19 HA ALA 19 -0.061 0.985 -6.600
120 1HB ALA 19 1HB ALA 19 -0.236 3.056 -5.072
121 2HB ALA 19 2HB ALA 19 0.777 2.241 -3.864
122 3HB ALA 19 HB3 ALA 19 1.457 2.679 -5.435
123 H LEU 20 H LEU 20 2.080 0.723 -6.951
124 HA LEU 20 HA LEU 20 2.245 -2.009 -6.760
125 1HB LEU 20 1HB LEU 20 2.884 -0.462 -8.764
126 2HB LEU 20 2HB LEU 20 4.500 -0.486 -8.100
127 HG LEU 20 HG LEU 20 4.215 -3.160 -8.129
128 1HD1 LEU 20 1HD1 LEU 20 2.010 -2.406 -10.161
129 2HD1 LEU 20 2HD1 LEU 20 2.677 -4.035 -9.891
130 3HD1 LEU 20 3HD1 LEU 20 1.748 -3.239 -8.610
131 1HD2 LEU 20 1HD2 LEU 20 4.506 -1.606 -10.753
132 2HD2 LEU 20 2HD2 LEU 20 5.036 -3.288 -10.438
133 3HD2 LEU 20 3HD2 LEU 20 5.797 -1.942 -9.560
134 H CYS 21 H CYS 21 4.714 0.212 -5.240
135 HA CYS 21 HA CYS 21 6.611 -1.813 -4.446
136 1HB CYS 21 1HB CYS 21 7.212 -0.159 -2.777
137 2HB CYS 21 2HB CYS 21 7.352 0.415 -4.427
138 H CYS 22 H CYS 22 3.743 -0.485 -2.699
139 HA CYS 22 HA CYS 22 3.994 -2.733 -0.634
140 1HB CYS 22 1HB CYS 22 4.059 -0.395 0.378
141 2HB CYS 22 2HB CYS 22 2.412 -0.126 -0.220
142 H ARG 23 H ARG 23 3.363 -3.743 -2.703
143 HA ARG 23 HA ARG 23 0.686 -3.605 -3.638
144 1HB ARG 23 1HB ARG 23 1.174 -5.581 -4.979
145 2HB ARG 23 2HB ARG 23 2.316 -4.296 -5.143
146 1HG ARG 23 2HG ARG 23 3.970 -5.597 -3.673
147 2HG ARG 23 1HG ARG 23 2.785 -6.874 -3.512
148 1HD ARG 23 1HD ARG 23 4.228 -7.675 -5.266
149 2HD ARG 23 2HD ARG 23 2.798 -7.139 -6.107
150 HE ARG 23 HE ARG 23 3.998 -5.299 -7.099
151 1HH1 ARG 23 2HH2 ARG 23 6.090 -6.931 -4.728
152 2HH1 ARG 23 1HH2 ARG 23 7.561 -6.075 -5.414
153 1HH2 ARG 23 1HH1 ARG 23 5.753 -4.399 -7.814
154 2HH2 ARG 23 2HH1 ARG 23 7.381 -4.742 -7.039
155 H LYS 24 H LYS 24 0.030 -3.696 -1.315
156 HA LYS 24 HA LYS 24 -0.784 -6.386 -0.233
157 1HB LYS 24 2HB LYS 24 0.065 -4.349 1.114
158 2HB LYS 24 1HB LYS 24 -1.480 -3.593 0.776
159 1HG LYS 24 2HG LYS 24 -1.609 -4.538 3.014
160 2HG LYS 24 1HG LYS 24 -2.616 -5.587 2.036
161 1HD LYS 24 2HD LYS 24 -0.685 -7.262 1.887
162 2HD LYS 24 1HD LYS 24 0.312 -6.161 2.822
163 1HE LYS 24 1HE LYS 24 -0.463 -7.829 4.361
164 2HE LYS 24 2HE LYS 24 -1.322 -6.349 4.780
165 1HZ LYS 24 HZ1 LYS 24 -2.800 -8.265 4.739
166 2HZ LYS 24 HZ2 LYS 24 -2.437 -8.600 3.163
167 3HZ LYS 24 HZ3 LYS 24 -3.260 -7.220 3.545
168 1HN NH2 25 1HN NH2 25 -2.207 -6.520 -2.578
169 2HN NH2 25 2HN NH2 25 -3.969 -6.025 -2.233
Start of MODEL 8
1 1H GLY 1 1H GLY 1 -0.533 14.025 -3.438
2 2H GLY 1 2H GLY 1 -1.904 13.878 -2.527
3 3H GLY 1 3H GLY 1 -1.083 12.528 -3.008
4 1HA GLY 1 2HA GLY 1 -0.095 14.573 -1.052
5 2HA GLY 1 1HA GLY 1 -0.638 12.981 -0.644
6 HA HYP 2 HA HYP 2 3.784 12.557 -0.893
7 1HB HYP 2 1HB HYP 2 3.488 11.107 1.707
8 2HB HYP 2 2HB HYP 2 4.669 12.381 1.326
9 1HD HYP 2 1HD HYP 2 1.021 14.229 0.876
10 2HD HYP 2 2HD HYP 2 0.578 12.602 1.339
11 HOD HYP 2 HOD HYP 2 3.522 14.550 0.709
12 HG HYP 2 HG HYP 2 2.540 13.108 2.934
13 HA HYP 3 HA HYP 3 3.930 8.198 -2.467
14 1HB HYP 3 1HB HYP 3 6.438 7.887 -0.825
15 2HB HYP 3 2HB HYP 3 6.225 7.575 -2.511
16 1HD HYP 3 1HD HYP 3 5.397 11.544 -1.849
17 2HD HYP 3 2HD HYP 3 5.995 10.810 -0.352
18 HOD HYP 3 HOD HYP 3 5.400 9.753 -3.700
19 HG HYP 3 HG HYP 3 7.534 9.785 -1.817
20 H CYS 4 H CYS 4 3.024 6.617 -2.007
21 HA CYS 4 HA CYS 4 1.920 5.250 0.191
22 1HB CYS 4 1HB CYS 4 1.400 4.985 -2.140
23 2HB CYS 4 2HB CYS 4 2.945 4.491 -2.545
24 H CYS 5 H CYS 5 5.081 4.965 -1.109
25 HA CYS 5 HA CYS 5 6.013 3.234 1.123
26 1HB CYS 5 1HB CYS 5 7.241 3.096 -1.580
27 2HB CYS 5 2HB CYS 5 7.572 2.102 -0.174
28 H LEU 6 H LEU 6 7.459 4.410 1.955
29 HA LEU 6 HA LEU 6 8.547 7.022 1.025
30 1HB LEU 6 1HB LEU 6 6.917 6.933 3.181
31 2HB LEU 6 2HB LEU 6 8.486 6.688 3.842
32 HG LEU 6 HG LEU 6 8.083 8.962 3.917
33 1HD1 LEU 6 1HD2 LEU 6 9.663 8.942 1.302
34 2HD1 LEU 6 2HD2 LEU 6 10.352 8.635 2.917
35 3HD1 LEU 6 3HD2 LEU 6 9.641 10.227 2.535
36 1HD2 LEU 6 1HD1 LEU 6 7.072 9.082 1.036
37 2HD2 LEU 6 2HD1 LEU 6 6.051 9.100 2.497
38 3HD2 LEU 6 3HD1 LEU 6 7.151 10.455 2.170
39 H TYR 7 H TYR 7 10.757 6.937 1.206
40 HA TYR 7 HA TYR 7 12.729 5.851 0.731
41 1HB TYR 7 1HB TYR 7 12.253 5.015 3.539
42 2HB TYR 7 2HB TYR 7 13.741 5.081 2.680
43 HD1 TYR 7 1HD TYR 7 11.806 6.879 5.019
44 HD2 TYR 7 2HD TYR 7 14.289 7.610 1.573
45 HE1 TYR 7 1HE TYR 7 12.167 9.192 5.755
46 HE2 TYR 7 2HE TYR 7 14.628 9.922 2.326
47 HH TYR 7 HH TYR 7 14.169 11.446 3.862
48 H GLY 8 H GLY 8 10.959 4.253 -0.374
49 1HA GLY 8 1HA GLY 8 10.798 2.096 -1.391
50 2HA GLY 8 2HA GLY 8 12.074 1.431 -0.365
51 H SER 9 H SER 9 10.129 2.627 1.855
52 HA SER 9 HA SER 9 9.627 -0.240 2.447
53 1HB SER 9 2HB SER 9 10.919 1.330 3.937
54 2HB SER 9 1HB SER 9 9.503 2.007 4.585
55 HG SER 9 HG SER 9 8.797 -0.132 5.106
56 H CYS 10 H CYS 10 7.356 1.109 4.531
57 HA CYS 10 HA CYS 10 5.139 1.348 2.525
58 1HB CYS 10 2HB CYS 10 5.222 -1.182 3.168
59 2HB CYS 10 1HB CYS 10 4.662 -0.658 4.776
60 H ARG 11 H ARG 11 3.521 2.470 3.177
61 HA ARG 11 HA ARG 11 3.185 3.738 5.887
62 1HB ARG 11 1HB ARG 11 5.029 4.852 4.803
63 2HB ARG 11 2HB ARG 11 4.065 5.154 3.360
64 1HG ARG 11 1HG ARG 11 2.568 6.654 4.472
65 2HG ARG 11 2HG ARG 11 3.198 6.256 6.069
66 1HD ARG 11 2HD ARG 11 4.841 7.718 3.873
67 2HD ARG 11 1HD ARG 11 3.918 8.544 5.125
68 HE ARG 11 HE ARG 11 5.812 6.494 6.203
69 1HH1 ARG 11 2HH1 ARG 11 5.461 9.927 5.330
70 2HH1 ARG 11 1HH1 ARG 11 6.898 10.368 6.382
71 1HH2 ARG 11 2HH2 ARG 11 7.465 7.116 7.361
72 2HH2 ARG 11 1HH2 ARG 11 7.955 8.881 7.453
73 HA HYP 12 HA HYP 12 -0.759 2.842 3.649
74 1HB HYP 12 1HB HYP 12 -2.568 2.763 5.732
75 2HB HYP 12 2HB HYP 12 -1.338 1.509 5.403
76 1HD HYP 12 1HD HYP 12 1.345 2.220 6.509
77 2HD HYP 12 2HD HYP 12 1.253 3.897 7.119
78 HOD HYP 12 HOD HYP 12 -0.242 2.095 8.634
79 HG HYP 12 HG HYP 12 -1.084 3.831 7.430
80 H PHE 13 H PHE 13 -0.815 4.602 2.427
81 HA PHE 13 HA PHE 13 -2.804 6.861 3.114
82 1HB PHE 13 1HB PHE 13 -1.021 6.325 0.612
83 2HB PHE 13 2HB PHE 13 -2.224 7.523 0.596
84 HD1 PHE 13 1HD PHE 13 1.121 6.787 1.710
85 HD2 PHE 13 2HD PHE 13 -2.156 9.503 2.122
86 HE1 PHE 13 1HE PHE 13 2.662 8.500 2.675
87 HE2 PHE 13 2HE PHE 13 -0.655 11.194 3.106
88 HZ PHE 13 HZ PHE 13 1.761 10.686 3.407
89 HA HYP 14 HA HYP 14 -5.977 4.825 0.783
90 1HB HYP 14 1HB HYP 14 -7.456 6.824 -0.083
91 2HB HYP 14 2HB HYP 14 -7.185 6.380 1.616
92 1HD HYP 14 1HD HYP 14 -3.951 8.319 1.673
93 2HD HYP 14 2HD HYP 14 -5.164 7.647 2.815
94 HOD HYP 14 HOD HYP 14 -7.619 9.203 1.171
95 HG HYP 14 HG HYP 14 -5.655 8.619 0.119
96 H GLY 15 H GLY 15 -5.817 3.943 -0.891
97 1HA GLY 15 1HA GLY 15 -5.206 3.091 -3.054
98 2HA GLY 15 2HA GLY 15 -4.750 4.715 -3.478
99 H CYS 16 H CYS 16 -3.127 3.718 -0.755
100 HA CYS 16 HA CYS 16 -0.525 3.266 -2.133
101 1HB CYS 16 1HB CYS 16 -0.318 4.462 -0.204
102 2HB CYS 16 2HB CYS 16 -1.276 3.331 0.820
103 H TYR 17 H TYR 17 -2.527 1.361 -0.039
104 HA TYR 17 HA TYR 17 -1.425 -1.346 -0.458
105 1HB TYR 17 1HB TYR 17 -3.682 -2.212 0.152
106 2HB TYR 17 2HB TYR 17 -2.838 -1.270 1.323
107 HD1 TYR 17 1HD TYR 17 -5.768 -1.073 -1.097
108 HD2 TYR 17 2HD TYR 17 -3.734 0.883 2.167
109 HE1 TYR 17 1HE TYR 17 -7.649 0.467 -0.819
110 HE2 TYR 17 2HE TYR 17 -5.618 2.406 2.420
111 HH TYR 17 HH TYR 17 -7.600 3.036 1.648
112 H ASN 18 H ASN 18 -3.462 0.520 -2.625
113 HA ASN 18 HA ASN 18 -3.539 -1.679 -4.688
114 1HB ASN 18 1HB ASN 18 -5.430 -0.036 -4.578
115 2HB ASN 18 2HB ASN 18 -4.318 1.194 -5.028
116 1HD2 ASN 18 1HD2 ASN 18 -4.055 1.258 -7.424
117 2HD2 ASN 18 2HD2 ASN 18 -5.055 0.126 -8.468
118 H ALA 19 H ALA 19 -1.241 0.714 -3.785
119 HA ALA 19 HA ALA 19 -0.034 1.060 -6.531
120 1HB ALA 19 1HB ALA 19 -0.161 3.081 -4.914
121 2HB ALA 19 2HB ALA 19 0.882 2.214 -3.772
122 3HB ALA 19 HB3 ALA 19 1.518 2.706 -5.343
123 H LEU 20 H LEU 20 2.021 0.699 -6.997
124 HA LEU 20 HA LEU 20 2.173 -2.021 -6.811
125 1HB LEU 20 1HB LEU 20 2.809 -0.483 -8.813
126 2HB LEU 20 2HB LEU 20 4.429 -0.500 -8.157
127 HG LEU 20 HG LEU 20 4.163 -3.173 -8.199
128 1HD1 LEU 20 1HD1 LEU 20 2.622 -4.057 -9.950
129 2HD1 LEU 20 2HD1 LEU 20 1.938 -2.433 -10.211
130 3HD1 LEU 20 3HD1 LEU 20 1.695 -3.273 -8.661
131 1HD2 LEU 20 1HD2 LEU 20 5.723 -1.933 -9.628
132 2HD2 LEU 20 2HD2 LEU 20 4.972 -3.281 -10.510
133 3HD2 LEU 20 3HD2 LEU 20 4.424 -1.602 -10.812
134 H CYS 21 H CYS 21 4.629 0.154 -5.253
135 HA CYS 21 HA CYS 21 6.515 -1.912 -4.484
136 1HB CYS 21 1HB CYS 21 7.183 -0.251 -2.858
137 2HB CYS 21 2HB CYS 21 7.290 0.295 -4.529
138 H CYS 22 H CYS 22 3.672 -0.507 -2.740
139 HA CYS 22 HA CYS 22 3.964 -2.670 -0.588
140 1HB CYS 22 2HB CYS 22 4.111 -0.236 0.264
141 2HB CYS 22 1HB CYS 22 2.416 -0.037 -0.209
142 H ARG 23 H ARG 23 3.221 -3.709 -2.622
143 HA ARG 23 HA ARG 23 0.515 -3.475 -3.447
144 1HB ARG 23 1HB ARG 23 0.910 -5.334 -4.918
145 2HB ARG 23 2HB ARG 23 2.183 -4.165 -4.979
146 1HG ARG 23 1HG ARG 23 3.647 -5.747 -3.548
147 2HG ARG 23 2HG ARG 23 2.337 -6.901 -3.563
148 1HD ARG 23 1HD ARG 23 3.670 -7.722 -5.327
149 2HD ARG 23 2HD ARG 23 2.447 -6.820 -6.216
150 HE ARG 23 HE ARG 23 4.761 -5.079 -5.630
151 1HH1 ARG 23 2HH2 ARG 23 3.809 -7.759 -7.764
152 2HH1 ARG 23 1HH2 ARG 23 5.094 -7.267 -8.978
153 1HH2 ARG 23 2HH1 ARG 23 6.194 -4.615 -7.077
154 2HH2 ARG 23 1HH1 ARG 23 6.352 -5.606 -8.613
155 H LYS 24 H LYS 24 -0.036 -3.608 -1.090
156 HA LYS 24 HA LYS 24 -0.900 -6.282 -0.038
157 1HB LYS 24 2HB LYS 24 -0.036 -4.250 1.318
158 2HB LYS 24 1HB LYS 24 -1.587 -3.495 1.002
159 1HG LYS 24 2HG LYS 24 -1.686 -4.456 3.232
160 2HG LYS 24 1HG LYS 24 -2.701 -5.506 2.261
161 1HD LYS 24 2HD LYS 24 -0.798 -7.169 2.073
162 2HD LYS 24 1HD LYS 24 0.241 -6.085 3.005
163 1HE LYS 24 2HE LYS 24 -1.349 -6.265 4.983
164 2HE LYS 24 1HE LYS 24 -2.392 -7.345 4.046
165 1HZ LYS 24 HZ1 LYS 24 0.447 -7.903 4.760
166 2HZ LYS 24 HZ2 LYS 24 -0.883 -8.585 5.465
167 3HZ LYS 24 HZ3 LYS 24 -0.526 -8.911 3.885
168 1HN NH2 25 1HN NH2 25 -2.337 -6.361 -2.388
169 2HN NH2 25 2HN NH2 25 -4.100 -5.883 -2.017
Start of MODEL 9
1 1H GLY 1 1H GLY 1 -1.177 13.672 -3.472
2 2H GLY 1 2H GLY 1 -2.579 13.806 -2.609
3 3H GLY 1 3H GLY 1 -1.977 12.313 -2.980
4 1HA GLY 1 1HA GLY 1 -0.688 14.291 -1.146
5 2HA GLY 1 2HA GLY 1 -1.567 12.881 -0.614
6 HA HYP 2 HA HYP 2 3.087 12.543 -0.848
7 1HB HYP 2 1HB HYP 2 2.896 11.040 1.723
8 2HB HYP 2 2HB HYP 2 3.922 12.447 1.368
9 1HD HYP 2 1HD HYP 2 0.093 13.869 0.920
10 2HD HYP 2 2HD HYP 2 -0.172 12.198 1.350
11 HOD HYP 2 HOD HYP 2 3.206 14.390 2.217
12 HG HYP 2 HG HYP 2 1.713 12.894 2.966
13 HA HYP 3 HA HYP 3 3.750 8.242 -2.446
14 1HB HYP 3 1HB HYP 3 6.168 8.226 -0.626
15 2HB HYP 3 2HB HYP 3 6.137 7.794 -2.288
16 1HD HYP 3 1HD HYP 3 4.810 11.693 -1.792
17 2HD HYP 3 2HD HYP 3 5.459 11.039 -0.276
18 HOD HYP 3 HOD HYP 3 6.545 9.477 -3.826
19 HG HYP 3 HG HYP 3 7.124 10.181 -1.739
20 H CYS 4 H CYS 4 2.932 6.613 -2.037
21 HA CYS 4 HA CYS 4 1.852 5.164 0.142
22 1HB CYS 4 1HB CYS 4 1.304 4.945 -2.192
23 2HB CYS 4 2HB CYS 4 2.853 4.509 -2.635
24 H CYS 5 H CYS 5 4.986 5.012 -1.261
25 HA CYS 5 HA CYS 5 6.020 3.188 0.859
26 1HB CYS 5 1HB CYS 5 7.192 3.222 -1.845
27 2HB CYS 5 2HB CYS 5 7.529 2.166 -0.484
28 H LEU 6 H LEU 6 7.241 4.439 1.792
29 HA LEU 6 HA LEU 6 8.403 7.100 0.947
30 1HB LEU 6 2HB LEU 6 6.505 7.194 2.532
31 2HB LEU 6 1HB LEU 6 7.646 6.598 3.710
32 HG LEU 6 HG LEU 6 7.789 8.842 4.001
33 1HD1 LEU 6 1HD2 LEU 6 9.670 10.064 2.981
34 2HD1 LEU 6 2HD2 LEU 6 10.114 8.360 3.257
35 3HD1 LEU 6 3HD2 LEU 6 9.702 8.919 1.616
36 1HD2 LEU 6 1HD1 LEU 6 6.007 9.484 2.452
37 2HD2 LEU 6 2HD1 LEU 6 7.185 9.550 1.107
38 3HD2 LEU 6 3HD1 LEU 6 7.306 10.694 2.475
39 H TYR 7 H TYR 7 10.594 6.963 1.169
40 HA TYR 7 HA TYR 7 12.550 5.847 0.840
41 1HB TYR 7 1HB TYR 7 11.997 5.085 3.647
42 2HB TYR 7 2HB TYR 7 13.504 5.100 2.812
43 HD1 TYR 7 1HD TYR 7 11.837 6.861 5.254
44 HD2 TYR 7 2HD TYR 7 13.856 7.722 1.543
45 HE1 TYR 7 1HE TYR 7 12.230 9.169 5.988
46 HE2 TYR 7 2HE TYR 7 14.229 10.026 2.299
47 HH TYR 7 HH TYR 7 13.925 11.509 3.911
48 H GLY 8 H GLY 8 10.863 4.269 -0.366
49 1HA GLY 8 1HA GLY 8 10.790 2.094 -1.365
50 2HA GLY 8 2HA GLY 8 11.959 1.452 -0.213
51 H SER 9 H SER 9 9.896 2.661 1.827
52 HA SER 9 HA SER 9 9.351 -0.205 2.410
53 1HB SER 9 2HB SER 9 10.640 1.416 3.911
54 2HB SER 9 1HB SER 9 9.155 2.024 4.541
55 HG SER 9 HG SER 9 9.942 0.303 5.729
56 H CYS 10 H CYS 10 7.224 0.579 4.560
57 HA CYS 10 HA CYS 10 4.758 0.741 2.735
58 1HB CYS 10 2HB CYS 10 5.226 -1.219 5.054
59 2HB CYS 10 1HB CYS 10 3.604 -0.704 4.586
60 H ARG 11 H ARG 11 3.720 2.504 3.160
61 HA ARG 11 HA ARG 11 3.680 3.798 5.903
62 1HB ARG 11 1HB ARG 11 5.514 4.614 4.426
63 2HB ARG 11 2HB ARG 11 4.278 5.147 3.282
64 1HG ARG 11 1HG ARG 11 4.682 7.111 4.370
65 2HG ARG 11 2HG ARG 11 3.289 6.541 5.260
66 1HD ARG 11 1HD ARG 11 4.947 7.442 6.852
67 2HD ARG 11 2HD ARG 11 4.828 5.706 7.131
68 HE ARG 11 HE ARG 11 6.969 5.502 5.613
69 1HH1 ARG 11 2HH2 ARG 11 6.402 8.294 7.746
70 2HH1 ARG 11 1HH2 ARG 11 8.210 8.574 7.880
71 1HH2 ARG 11 2HH1 ARG 11 9.002 5.923 5.834
72 2HH2 ARG 11 1HH1 ARG 11 9.580 7.322 6.871
73 HA HYP 12 HA HYP 12 -0.472 2.985 4.298
74 1HB HYP 12 1HB HYP 12 -2.105 3.579 6.460
75 2HB HYP 12 2HB HYP 12 -0.989 2.181 6.367
76 1HD HYP 12 1HD HYP 12 1.788 2.825 6.990
77 2HD HYP 12 2HD HYP 12 1.947 4.588 7.241
78 HOD HYP 12 HOD HYP 12 0.061 2.150 8.361
79 HG HYP 12 HG HYP 12 -0.370 4.889 7.716
80 H PHE 13 H PHE 13 -1.443 4.027 2.829
81 HA PHE 13 HA PHE 13 -2.783 6.737 3.208
82 1HB PHE 13 1HB PHE 13 -0.801 6.085 0.895
83 2HB PHE 13 2HB PHE 13 -1.915 7.363 0.759
84 HD1 PHE 13 1HD PHE 13 -1.934 9.255 2.489
85 HD2 PHE 13 2HD PHE 13 1.293 6.501 1.983
86 HE1 PHE 13 1HE PHE 13 -0.429 10.842 3.629
87 HE2 PHE 13 2HE PHE 13 2.837 8.096 3.136
88 HZ PHE 13 HZ PHE 13 1.964 10.254 3.980
89 HA HYP 14 HA HYP 14 -5.907 4.954 0.700
90 1HB HYP 14 1HB HYP 14 -7.198 7.050 -0.250
91 2HB HYP 14 2HB HYP 14 -7.052 6.597 1.459
92 1HD HYP 14 1HD HYP 14 -3.679 8.286 1.668
93 2HD HYP 14 2HD HYP 14 -4.988 7.701 2.750
94 HOD HYP 14 HOD HYP 14 -6.878 8.719 2.382
95 HG HYP 14 HG HYP 14 -5.283 8.709 0.039
96 H GLY 15 H GLY 15 -5.748 4.038 -0.933
97 1HA GLY 15 1HA GLY 15 -5.183 3.100 -3.079
98 2HA GLY 15 2HA GLY 15 -4.669 4.696 -3.536
99 H CYS 16 H CYS 16 -3.115 3.562 -0.782
100 HA CYS 16 HA CYS 16 -0.511 3.183 -2.171
101 1HB CYS 16 1HB CYS 16 -0.331 4.345 -0.223
102 2HB CYS 16 2HB CYS 16 -1.257 3.170 0.784
103 H TYR 17 H TYR 17 -2.393 1.197 -0.051
104 HA TYR 17 HA TYR 17 -1.394 -1.507 -0.660
105 1HB TYR 17 1HB TYR 17 -3.778 -2.279 -0.106
106 2HB TYR 17 2HB TYR 17 -2.715 -1.715 1.116
107 HD1 TYR 17 1HD TYR 17 -5.610 -0.378 -1.028
108 HD2 TYR 17 2HD TYR 17 -3.306 0.098 2.589
109 HE1 TYR 17 1HE TYR 17 -7.129 1.384 -0.263
110 HE2 TYR 17 2HE TYR 17 -4.835 1.845 3.327
111 HH TYR 17 HH TYR 17 -7.591 2.870 1.309
112 H ASN 18 H ASN 18 -3.426 0.489 -2.704
113 HA ASN 18 HA ASN 18 -3.585 -1.659 -4.820
114 1HB ASN 18 1HB ASN 18 -5.448 -0.017 -4.641
115 2HB ASN 18 2HB ASN 18 -4.346 1.230 -5.057
116 1HD2 ASN 18 1HD2 ASN 18 -4.063 1.359 -7.451
117 2HD2 ASN 18 2HD2 ASN 18 -5.092 0.286 -8.530
118 H ALA 19 H ALA 19 -1.260 0.703 -3.902
119 HA ALA 19 HA ALA 19 -0.035 1.036 -6.648
120 1HB ALA 19 1HB ALA 19 -0.207 3.089 -5.092
121 2HB ALA 19 2HB ALA 19 0.805 2.259 -3.895
122 3HB ALA 19 HB3 ALA 19 1.486 2.714 -5.460
123 H LEU 20 H LEU 20 2.102 0.743 -6.995
124 HA LEU 20 HA LEU 20 2.191 -1.993 -6.905
125 1HB LEU 20 2HB LEU 20 2.905 -0.352 -8.808
126 2HB LEU 20 1HB LEU 20 4.503 -0.437 -8.109
127 HG LEU 20 HG LEU 20 4.212 -3.093 -8.326
128 1HD1 LEU 20 1HD1 LEU 20 2.039 -2.208 -10.347
129 2HD1 LEU 20 2HD1 LEU 20 2.666 -3.861 -10.118
130 3HD1 LEU 20 3HD1 LEU 20 1.724 -3.083 -8.837
131 1HD2 LEU 20 1HD2 LEU 20 5.033 -3.042 -10.651
132 2HD2 LEU 20 2HD2 LEU 20 4.495 -1.341 -10.827
133 3HD2 LEU 20 3HD2 LEU 20 5.789 -1.764 -9.668
134 H CYS 21 H CYS 21 4.668 0.103 -5.307
135 HA CYS 21 HA CYS 21 6.502 -1.987 -4.506
136 1HB CYS 21 1HB CYS 21 7.181 -0.235 -2.911
137 2HB CYS 21 2HB CYS 21 7.374 0.164 -4.613
138 H CYS 22 H CYS 22 3.737 -0.463 -2.700
139 HA CYS 22 HA CYS 22 4.023 -2.634 -0.566
140 1HB CYS 22 2HB CYS 22 4.402 -0.240 0.393
141 2HB CYS 22 1HB CYS 22 2.696 0.072 0.031
142 H ARG 23 H ARG 23 3.042 -3.461 -2.621
143 HA ARG 23 HA ARG 23 0.219 -2.919 -3.040
144 1HB ARG 23 2HB ARG 23 1.941 -3.623 -4.816
145 2HB ARG 23 1HB ARG 23 1.683 -5.286 -4.319
146 1HG ARG 23 1HG ARG 23 -0.847 -4.889 -4.863
147 2HG ARG 23 2HG ARG 23 -0.393 -3.267 -5.395
148 1HD ARG 23 2HD ARG 23 1.317 -4.479 -7.027
149 2HD ARG 23 1HD ARG 23 0.459 -5.971 -6.617
150 HE ARG 23 HE ARG 23 -1.383 -3.785 -7.506
151 1HH1 ARG 23 2HH2 ARG 23 0.807 -6.290 -8.759
152 2HH1 ARG 23 1HH2 ARG 23 -0.061 -6.257 -10.375
153 1HH2 ARG 23 1HH1 ARG 23 -2.317 -3.858 -9.368
154 2HH2 ARG 23 2HH1 ARG 23 -1.711 -4.971 -10.694
155 H LYS 24 H LYS 24 -0.041 -3.352 -0.770
156 HA LYS 24 HA LYS 24 -0.667 -6.190 0.098
157 1HB LYS 24 1HB LYS 24 0.706 -4.308 1.370
158 2HB LYS 24 2HB LYS 24 -0.821 -3.648 1.828
159 1HG LYS 24 2HG LYS 24 -1.383 -5.882 2.974
160 2HG LYS 24 1HG LYS 24 0.146 -6.528 2.405
161 1HD LYS 24 2HD LYS 24 0.461 -5.935 4.695
162 2HD LYS 24 1HD LYS 24 1.406 -4.798 3.743
163 1HE LYS 24 1HE LYS 24 -0.425 -3.039 4.048
164 2HE LYS 24 2HE LYS 24 -1.381 -4.203 4.976
165 1HZ LYS 24 HZ1 LYS 24 -0.101 -2.747 6.418
166 2HZ LYS 24 HZ2 LYS 24 1.328 -3.214 5.734
167 3HZ LYS 24 HZ3 LYS 24 0.437 -4.298 6.606
168 1HN NH2 25 1HN NH2 25 -2.618 -4.727 2.012
169 2HN NH2 25 2HN NH2 25 -4.085 -4.311 0.968
Start of MODEL 10
1 1H GLY 1 1H GLY 1 0.113 12.590 -5.491
2 2H GLY 1 2H GLY 1 -1.360 13.337 -5.445
3 3H GLY 1 3H GLY 1 0.007 14.181 -5.059
4 1HA GLY 1 2HA GLY 1 -1.288 13.569 -3.029
5 2HA GLY 1 1HA GLY 1 -1.095 11.898 -3.478
6 HA HYP 2 HA HYP 2 2.461 12.354 -0.895
7 1HB HYP 2 1HB HYP 2 1.617 10.866 1.357
8 2HB HYP 2 2HB HYP 2 1.635 12.628 1.243
9 1HD HYP 2 1HD HYP 2 -1.559 11.829 -1.211
10 2HD HYP 2 2HD HYP 2 -1.020 13.380 -0.645
11 HOD HYP 2 HOD HYP 2 -0.437 13.499 1.578
12 HG HYP 2 HG HYP 2 -0.814 10.796 0.839
13 HA HYP 3 HA HYP 3 3.663 8.152 -2.329
14 1HB HYP 3 1HB HYP 3 5.802 8.254 -0.189
15 2HB HYP 3 2HB HYP 3 5.989 8.000 -1.902
16 1HD HYP 3 1HD HYP 3 4.378 11.756 -1.274
17 2HD HYP 3 2HD HYP 3 4.646 10.944 0.275
18 HOD HYP 3 HOD HYP 3 6.072 11.331 -2.793
19 HG HYP 3 HG HYP 3 6.687 10.375 -0.814
20 H CYS 4 H CYS 4 2.901 6.478 -1.976
21 HA CYS 4 HA CYS 4 1.836 5.004 0.237
22 1HB CYS 4 1HB CYS 4 1.279 4.807 -2.112
23 2HB CYS 4 2HB CYS 4 2.832 4.371 -2.546
24 H CYS 5 H CYS 5 4.975 4.978 -1.245
25 HA CYS 5 HA CYS 5 6.149 3.448 1.001
26 1HB CYS 5 1HB CYS 5 7.214 3.120 -1.742
27 2HB CYS 5 2HB CYS 5 7.665 2.294 -0.277
28 H LEU 6 H LEU 6 7.469 4.781 1.658
29 HA LEU 6 HA LEU 6 8.749 7.099 0.312
30 1HB LEU 6 1HB LEU 6 6.836 7.680 2.036
31 2HB LEU 6 2HB LEU 6 8.064 7.228 3.157
32 HG LEU 6 HG LEU 6 7.992 9.622 1.473
33 1HD1 LEU 6 1HD1 LEU 6 8.220 10.835 3.603
34 2HD1 LEU 6 2HD1 LEU 6 8.405 9.290 4.473
35 3HD1 LEU 6 3HD1 LEU 6 6.853 9.690 3.682
36 1HD2 LEU 6 1HD2 LEU 6 10.265 10.307 2.336
37 2HD2 LEU 6 2HD2 LEU 6 10.357 8.885 1.264
38 3HD2 LEU 6 3HD2 LEU 6 10.431 8.675 3.036
39 H TYR 7 H TYR 7 10.901 7.055 0.827
40 HA TYR 7 HA TYR 7 12.826 5.877 0.738
41 1HB TYR 7 1HB TYR 7 12.042 5.307 3.530
42 2HB TYR 7 2HB TYR 7 13.614 5.274 2.827
43 HD1 TYR 7 1HD TYR 7 13.769 7.936 1.308
44 HD2 TYR 7 2HD TYR 7 12.018 7.076 5.153
45 HE1 TYR 7 1HE TYR 7 14.179 10.242 2.027
46 HE2 TYR 7 2HE TYR 7 12.448 9.389 5.850
47 HH TYR 7 HH TYR 7 13.973 11.731 3.648
48 H GLY 8 H GLY 8 11.031 4.215 -0.374
49 1HA GLY 8 1HA GLY 8 10.913 1.974 -1.194
50 2HA GLY 8 2HA GLY 8 12.132 1.415 -0.047
51 H SER 9 H SER 9 10.032 2.839 1.941
52 HA SER 9 HA SER 9 9.610 0.038 2.838
53 1HB SER 9 2HB SER 9 10.655 1.954 4.233
54 2HB SER 9 1HB SER 9 9.043 2.423 4.679
55 HG SER 9 HG SER 9 8.691 0.265 5.361
56 H CYS 10 H CYS 10 7.363 0.584 4.739
57 HA CYS 10 HA CYS 10 4.981 0.757 2.801
58 1HB CYS 10 2HB CYS 10 5.294 -1.266 5.091
59 2HB CYS 10 1HB CYS 10 3.774 -0.875 4.284
60 H ARG 11 H ARG 11 3.895 2.474 3.228
61 HA ARG 11 HA ARG 11 3.593 3.616 6.025
62 1HB ARG 11 1HB ARG 11 5.506 4.566 4.859
63 2HB ARG 11 2HB ARG 11 4.446 5.099 3.537
64 1HG ARG 11 2HG ARG 11 3.259 6.640 4.959
65 2HG ARG 11 1HG ARG 11 3.947 5.968 6.431
66 1HD ARG 11 2HD ARG 11 5.588 7.528 4.310
67 2HD ARG 11 1HD ARG 11 4.892 8.232 5.763
68 HE ARG 11 HE ARG 11 6.734 5.835 6.139
69 1HH1 ARG 11 1HH2 ARG 11 6.324 9.351 6.506
70 2HH1 ARG 11 2HH2 ARG 11 7.825 9.428 7.559
71 1HH2 ARG 11 2HH1 ARG 11 8.449 6.053 7.309
72 2HH2 ARG 11 1HH1 ARG 11 8.943 7.687 7.982
73 HA HYP 12 HA HYP 12 -0.376 2.777 3.998
74 1HB HYP 12 1HB HYP 12 -2.195 3.020 6.107
75 2HB HYP 12 2HB HYP 12 -1.051 1.669 5.869
76 1HD HYP 12 1HD HYP 12 1.692 2.312 6.796
77 2HD HYP 12 2HD HYP 12 1.732 4.021 7.319
78 HOD HYP 12 HOD HYP 12 -0.091 1.351 7.892
79 HG HYP 12 HG HYP 12 -0.606 4.141 7.671
80 H PHE 13 H PHE 13 -1.608 3.823 2.750
81 HA PHE 13 HA PHE 13 -2.971 6.473 3.340
82 1HB PHE 13 1HB PHE 13 -0.952 6.063 0.999
83 2HB PHE 13 2HB PHE 13 -2.090 7.328 0.957
84 HD1 PHE 13 1HD PHE 13 -2.207 8.974 2.998
85 HD2 PHE 13 2HD PHE 13 1.156 6.537 1.994
86 HE1 PHE 13 1HE PHE 13 -0.740 10.536 4.218
87 HE2 PHE 13 2HE PHE 13 2.661 8.109 3.235
88 HZ PHE 13 HZ PHE 13 1.705 10.096 4.354
89 HA HYP 14 HA HYP 14 -6.021 4.878 0.596
90 1HB HYP 14 1HB HYP 14 -7.302 7.035 -0.212
91 2HB HYP 14 2HB HYP 14 -7.204 6.438 1.456
92 1HD HYP 14 1HD HYP 14 -3.870 8.139 1.925
93 2HD HYP 14 2HD HYP 14 -5.206 7.454 2.910
94 HOD HYP 14 HOD HYP 14 -7.096 8.477 2.559
95 HG HYP 14 HG HYP 14 -5.419 8.680 0.282
96 H GLY 15 H GLY 15 -5.799 4.116 -1.116
97 1HA GLY 15 1HA GLY 15 -5.135 3.395 -3.313
98 2HA GLY 15 2HA GLY 15 -4.536 5.008 -3.574
99 H CYS 16 H CYS 16 -3.164 3.655 -0.857
100 HA CYS 16 HA CYS 16 -0.523 3.189 -2.157
101 1HB CYS 16 1HB CYS 16 -0.389 4.299 -0.166
102 2HB CYS 16 2HB CYS 16 -1.382 3.122 0.766
103 H TYR 17 H TYR 17 -2.639 1.243 -0.217
104 HA TYR 17 HA TYR 17 -1.619 -1.467 -0.854
105 1HB TYR 17 1HB TYR 17 -3.974 -2.270 -0.307
106 2HB TYR 17 2HB TYR 17 -2.946 -1.669 0.933
107 HD1 TYR 17 1HD TYR 17 -3.600 0.175 2.361
108 HD2 TYR 17 2HD TYR 17 -5.888 -0.496 -1.238
109 HE1 TYR 17 1HE TYR 17 -5.212 1.854 3.067
110 HE2 TYR 17 2HE TYR 17 -7.492 1.198 -0.504
111 HH TYR 17 HH TYR 17 -7.059 2.974 2.550
112 H ASN 18 H ASN 18 -3.540 0.628 -2.874
113 HA ASN 18 HA ASN 18 -3.722 -1.469 -5.045
114 1HB ASN 18 1HB ASN 18 -5.538 0.227 -4.877
115 2HB ASN 18 2HB ASN 18 -4.386 1.448 -5.230
116 1HD2 ASN 18 1HD2 ASN 18 -3.987 1.595 -7.610
117 2HD2 ASN 18 2HD2 ASN 18 -5.035 0.602 -8.747
118 H ALA 19 H ALA 19 -1.354 0.789 -3.981
119 HA ALA 19 HA ALA 19 -0.004 1.097 -6.679
120 1HB ALA 19 1HB ALA 19 -0.204 3.160 -5.170
121 2HB ALA 19 2HB ALA 19 1.495 2.742 -5.445
122 3HB ALA 19 HB3 ALA 19 0.728 2.327 -3.906
123 H LEU 20 H LEU 20 2.215 0.838 -6.829
124 HA LEU 20 HA LEU 20 2.194 -1.909 -6.881
125 1HB LEU 20 2HB LEU 20 3.080 -0.114 -8.607
126 2HB LEU 20 1HB LEU 20 4.637 -0.340 -7.873
127 HG LEU 20 HG LEU 20 4.379 -1.538 -9.960
128 1HD1 LEU 20 1HD2 LEU 20 4.528 -3.733 -7.818
129 2HD1 LEU 20 2HD2 LEU 20 5.226 -3.750 -9.448
130 3HD1 LEU 20 3HD2 LEU 20 5.865 -2.627 -8.229
131 1HD2 LEU 20 1HD1 LEU 20 1.898 -1.928 -9.943
132 2HD2 LEU 20 2HD1 LEU 20 2.113 -3.252 -8.773
133 3HD2 LEU 20 3HD1 LEU 20 2.810 -3.381 -10.402
134 H CYS 21 H CYS 21 4.676 0.039 -5.127
135 HA CYS 21 HA CYS 21 6.428 -2.080 -4.284
136 1HB CYS 21 1HB CYS 21 7.009 -0.431 -2.567
137 2HB CYS 21 2HB CYS 21 7.278 0.099 -4.221
138 H CYS 22 H CYS 22 3.624 -0.681 -2.525
139 HA CYS 22 HA CYS 22 3.789 -3.012 -0.547
140 1HB CYS 22 1HB CYS 22 3.168 -0.080 0.119
141 2HB CYS 22 2HB CYS 22 2.785 -1.455 1.179
142 H ARG 23 H ARG 23 2.713 -3.531 -2.613
143 HA ARG 23 HA ARG 23 -0.076 -2.775 -2.904
144 1HB ARG 23 2HB ARG 23 1.555 -3.490 -4.788
145 2HB ARG 23 1HB ARG 23 1.167 -5.153 -4.391
146 1HG ARG 23 2HG ARG 23 -1.327 -4.543 -4.818
147 2HG ARG 23 1HG ARG 23 -0.790 -2.912 -5.215
148 1HD ARG 23 1HD ARG 23 0.767 -4.069 -7.033
149 2HD ARG 23 2HD ARG 23 -0.193 -5.528 -6.740
150 HE ARG 23 HE ARG 23 -1.976 -3.231 -7.270
151 1HH1 ARG 23 1HH2 ARG 23 0.258 -5.386 -9.003
152 2HH1 ARG 23 2HH2 ARG 23 -0.616 -5.043 -10.579
153 1HH2 ARG 23 1HH1 ARG 23 -2.908 -2.934 -9.107
154 2HH2 ARG 23 2HH1 ARG 23 -2.290 -3.747 -10.631
155 H LYS 24 H LYS 24 -0.302 -3.390 -0.633
156 HA LYS 24 HA LYS 24 -1.160 -6.243 -0.045
157 1HB LYS 24 1HB LYS 24 0.329 -4.595 1.431
158 2HB LYS 24 2HB LYS 24 -1.165 -3.930 1.979
159 1HG LYS 24 1HG LYS 24 -1.861 -6.289 2.751
160 2HG LYS 24 2HG LYS 24 -0.303 -6.896 2.193
161 1HD LYS 24 1HD LYS 24 0.882 -5.335 3.785
162 2HD LYS 24 2HD LYS 24 -0.655 -4.710 4.360
163 1HE LYS 24 2HE LYS 24 0.240 -7.669 4.606
164 2HE LYS 24 1HE LYS 24 0.450 -6.453 5.862
165 1HZ LYS 24 HZ1 LYS 24 -2.186 -7.329 4.793
166 2HZ LYS 24 HZ2 LYS 24 -1.534 -7.760 6.248
167 3HZ LYS 24 HZ3 LYS 24 -1.968 -6.190 5.969
168 1HN NH2 25 1HN NH2 25 -3.011 -4.800 1.996
169 2HN NH2 25 2HN NH2 25 -4.439 -4.199 0.984
Start of MODEL 11
1 1H GLY 1 1H GLY 1 -2.312 9.807 -3.813
2 2H GLY 1 2H GLY 1 -3.730 10.635 -3.631
3 3H GLY 1 3H GLY 1 -2.436 11.362 -4.356
4 1HA GLY 1 2HA GLY 1 -2.739 12.174 -2.024
5 2HA GLY 1 1HA GLY 1 -2.559 10.534 -1.490
6 HA HYP 2 HA HYP 2 1.619 12.007 -1.063
7 1HB HYP 2 1HB HYP 2 1.390 10.912 1.693
8 2HB HYP 2 2HB HYP 2 1.994 12.522 1.226
9 1HD HYP 2 1HD HYP 2 -1.969 12.511 0.063
10 2HD HYP 2 2HD HYP 2 -1.698 10.895 0.686
11 HOD HYP 2 HOD HYP 2 0.184 13.902 0.130
12 HG HYP 2 HG HYP 2 -0.511 12.401 2.422
13 HA HYP 3 HA HYP 3 3.515 8.058 -2.028
14 1HB HYP 3 1HB HYP 3 5.483 8.601 0.222
15 2HB HYP 3 2HB HYP 3 5.919 8.064 -1.340
16 1HD HYP 3 1HD HYP 3 3.651 11.558 -1.570
17 2HD HYP 3 2HD HYP 3 4.172 11.246 0.094
18 HOD HYP 3 HOD HYP 3 4.590 9.677 -3.081
19 HG HYP 3 HG HYP 3 6.194 10.683 -0.968
20 H CYS 4 H CYS 4 2.973 6.320 -1.705
21 HA CYS 4 HA CYS 4 1.846 4.788 0.478
22 1HB CYS 4 1HB CYS 4 1.307 4.672 -1.910
23 2HB CYS 4 2HB CYS 4 2.882 4.232 -2.307
24 H CYS 5 H CYS 5 4.989 5.018 -0.910
25 HA CYS 5 HA CYS 5 6.182 3.249 1.154
26 1HB CYS 5 1HB CYS 5 7.155 3.141 -1.636
27 2HB CYS 5 2HB CYS 5 7.661 2.181 -0.254
28 H LEU 6 H LEU 6 7.545 4.518 1.895
29 HA LEU 6 HA LEU 6 8.563 7.143 0.803
30 1HB LEU 6 2HB LEU 6 6.827 7.392 2.450
31 2HB LEU 6 1HB LEU 6 7.941 6.756 3.647
32 HG LEU 6 HG LEU 6 7.764 9.152 3.617
33 1HD1 LEU 6 1HD1 LEU 6 9.923 8.197 4.385
34 2HD1 LEU 6 2HD1 LEU 6 10.059 9.876 3.800
35 3HD1 LEU 6 3HD1 LEU 6 10.596 8.533 2.761
36 1HD2 LEU 6 1HD2 LEU 6 9.016 9.377 0.850
37 2HD2 LEU 6 2HD2 LEU 6 8.566 10.717 1.931
38 3HD2 LEU 6 3HD2 LEU 6 7.298 9.675 1.251
39 H TYR 7 H TYR 7 10.727 6.942 0.632
40 HA TYR 7 HA TYR 7 12.714 5.854 0.292
41 1HB TYR 7 1HB TYR 7 12.429 5.445 3.205
42 2HB TYR 7 2HB TYR 7 13.850 5.378 2.237
43 HD1 TYR 7 1HD TYR 7 13.370 8.053 0.552
44 HD2 TYR 7 2HD TYR 7 12.953 7.220 4.764
45 HE1 TYR 7 1HE TYR 7 13.810 10.400 1.076
46 HE2 TYR 7 2HE TYR 7 13.407 9.576 5.257
47 HH TYR 7 HH TYR 7 13.837 11.580 4.432
48 H GLY 8 H GLY 8 10.987 4.152 -0.591
49 1HA GLY 8 1HA GLY 8 10.905 1.915 -1.371
50 2HA GLY 8 2HA GLY 8 12.199 1.406 -0.281
51 H SER 9 H SER 9 10.248 2.721 1.833
52 HA SER 9 HA SER 9 9.831 -0.110 2.656
53 1HB SER 9 2HB SER 9 11.061 1.635 4.025
54 2HB SER 9 1HB SER 9 9.595 2.271 4.622
55 HG SER 9 HG SER 9 9.018 0.140 5.287
56 H CYS 10 H CYS 10 7.552 1.076 4.689
57 HA CYS 10 HA CYS 10 5.334 1.323 2.678
58 1HB CYS 10 1HB CYS 10 5.317 -1.046 3.063
59 2HB CYS 10 2HB CYS 10 5.059 -0.875 4.820
60 H ARG 11 H ARG 11 3.708 2.369 3.270
61 HA ARG 11 HA ARG 11 3.612 4.023 5.818
62 1HB ARG 11 1HB ARG 11 5.418 4.716 4.259
63 2HB ARG 11 2HB ARG 11 4.183 5.041 3.044
64 1HG ARG 11 1HG ARG 11 4.637 7.135 3.874
65 2HG ARG 11 2HG ARG 11 3.141 6.703 4.682
66 1HD ARG 11 2HD ARG 11 4.708 7.837 6.268
67 2HD ARG 11 1HD ARG 11 4.388 6.196 6.824
68 HE ARG 11 HE ARG 11 6.667 5.605 5.556
69 1HH1 ARG 11 2HH1 ARG 11 6.075 8.557 7.454
70 2HH1 ARG 11 1HH1 ARG 11 7.856 8.655 7.884
71 1HH2 ARG 11 1HH2 ARG 11 8.677 5.834 6.091
72 2HH2 ARG 11 2HH2 ARG 11 9.228 7.217 7.163
73 HA HYP 12 HA HYP 12 -0.441 2.807 4.056
74 1HB HYP 12 1HB HYP 12 -2.140 3.083 6.249
75 2HB HYP 12 2HB HYP 12 -0.934 1.782 6.029
76 1HD HYP 12 1HD HYP 12 1.827 2.637 6.768
77 2HD HYP 12 2HD HYP 12 1.785 4.379 7.161
78 HOD HYP 12 HOD HYP 12 0.414 2.841 9.033
79 HG HYP 12 HG HYP 12 -0.534 4.381 7.654
80 H PHE 13 H PHE 13 -1.701 3.787 2.766
81 HA PHE 13 HA PHE 13 -3.194 6.369 3.317
82 1HB PHE 13 1HB PHE 13 -1.135 6.060 0.992
83 2HB PHE 13 2HB PHE 13 -2.339 7.265 0.936
84 HD1 PHE 13 1HD PHE 13 -2.569 8.901 2.996
85 HD2 PHE 13 2HD PHE 13 0.939 6.676 1.980
86 HE1 PHE 13 1HE PHE 13 -1.212 10.487 4.301
87 HE2 PHE 13 2HE PHE 13 2.333 8.300 3.281
88 HZ PHE 13 HZ PHE 13 1.248 10.171 4.472
89 HA HYP 14 HA HYP 14 -6.114 4.649 0.466
90 1HB HYP 14 1HB HYP 14 -7.473 6.760 -0.326
91 2HB HYP 14 2HB HYP 14 -7.388 6.137 1.335
92 1HD HYP 14 1HD HYP 14 -4.158 7.987 1.908
93 2HD HYP 14 2HD HYP 14 -5.486 7.242 2.864
94 HOD HYP 14 HOD HYP 14 -7.418 8.161 2.468
95 HG HYP 14 HG HYP 14 -5.689 8.483 0.244
96 H GLY 15 H GLY 15 -5.809 3.962 -1.278
97 1HA GLY 15 1HA GLY 15 -4.984 3.340 -3.448
98 2HA GLY 15 2HA GLY 15 -4.434 4.980 -3.616
99 H CYS 16 H CYS 16 -3.186 3.497 -0.878
100 HA CYS 16 HA CYS 16 -0.467 3.133 -2.056
101 1HB CYS 16 1HB CYS 16 -0.429 4.173 -0.027
102 2HB CYS 16 2HB CYS 16 -1.472 2.967 0.814
103 H TYR 17 H TYR 17 -2.593 1.095 -0.221
104 HA TYR 17 HA TYR 17 -1.637 -1.580 -1.126
105 1HB TYR 17 1HB TYR 17 -3.940 -2.416 -0.473
106 2HB TYR 17 2HB TYR 17 -2.852 -1.872 0.741
107 HD1 TYR 17 1HD TYR 17 -5.850 -0.512 -1.256
108 HD2 TYR 17 2HD TYR 17 -3.479 -0.183 2.336
109 HE1 TYR 17 1HE TYR 17 -7.366 1.194 -0.381
110 HE2 TYR 17 2HE TYR 17 -5.005 1.510 3.183
111 HH TYR 17 HH TYR 17 -7.810 2.605 1.268
112 H ASN 18 H ASN 18 -3.347 0.764 -2.937
113 HA ASN 18 HA ASN 18 -3.737 -1.206 -5.220
114 1HB ASN 18 1HB ASN 18 -5.521 0.484 -4.918
115 2HB ASN 18 2HB ASN 18 -4.365 1.723 -5.171
116 1HD2 ASN 18 1HD2 ASN 18 -3.855 1.966 -7.537
117 2HD2 ASN 18 2HD2 ASN 18 -4.974 1.156 -8.753
118 H ALA 19 H ALA 19 -1.313 0.882 -4.021
119 HA ALA 19 HA ALA 19 0.109 1.240 -6.689
120 1HB ALA 19 1HB ALA 19 -0.017 3.299 -5.150
121 2HB ALA 19 2HB ALA 19 0.807 2.389 -3.864
122 3HB ALA 19 HB3 ALA 19 1.665 2.782 -5.360
123 H LEU 20 H LEU 20 2.179 0.728 -6.951
124 HA LEU 20 HA LEU 20 2.109 -1.978 -6.751
125 1HB LEU 20 2HB LEU 20 3.024 -0.461 -8.625
126 2HB LEU 20 1HB LEU 20 4.569 -0.477 -7.827
127 HG LEU 20 HG LEU 20 4.386 -1.933 -9.792
128 1HD1 LEU 20 1HD2 LEU 20 4.885 -3.765 -7.380
129 2HD1 LEU 20 2HD2 LEU 20 5.528 -3.924 -9.025
130 3HD1 LEU 20 3HD2 LEU 20 6.047 -2.566 -8.003
131 1HD2 LEU 20 1HD1 LEU 20 1.980 -2.623 -9.621
132 2HD2 LEU 20 2HD1 LEU 20 2.391 -3.734 -8.290
133 3HD2 LEU 20 3HD1 LEU 20 3.062 -4.001 -9.916
134 H CYS 21 H CYS 21 4.613 -0.007 -5.083
135 HA CYS 21 HA CYS 21 6.330 -2.126 -4.144
136 1HB CYS 21 1HB CYS 21 7.033 -0.369 -2.587
137 2HB CYS 21 2HB CYS 21 7.211 0.045 -4.281
138 H CYS 22 H CYS 22 3.394 -0.846 -2.664
139 HA CYS 22 HA CYS 22 3.651 -2.714 -0.332
140 1HB CYS 22 2HB CYS 22 4.177 -0.302 0.523
141 2HB CYS 22 1HB CYS 22 2.482 0.080 0.178
142 H ARG 23 H ARG 23 2.537 -2.964 -2.795
143 HA ARG 23 HA ARG 23 -0.253 -2.579 -2.799
144 1HB ARG 23 2HB ARG 23 1.252 -3.305 -4.828
145 2HB ARG 23 1HB ARG 23 0.857 -4.956 -4.394
146 1HG ARG 23 1HG ARG 23 -1.641 -4.296 -4.593
147 2HG ARG 23 2HG ARG 23 -1.114 -2.665 -5.002
148 1HD ARG 23 2HD ARG 23 0.212 -3.791 -7.001
149 2HD ARG 23 1HD ARG 23 -0.730 -5.241 -6.672
150 HE ARG 23 HE ARG 23 -1.735 -2.551 -7.676
151 1HH1 ARG 23 1HH1 ARG 23 -2.702 -5.808 -6.625
152 2HH1 ARG 23 2HH1 ARG 23 -4.377 -5.556 -7.331
153 1HH2 ARG 23 2HH2 ARG 23 -3.659 -2.391 -8.484
154 2HH2 ARG 23 1HH2 ARG 23 -4.880 -3.750 -8.313
155 H LYS 24 H LYS 24 1.332 -5.644 -1.996
156 HA LYS 24 HA LYS 24 -0.999 -6.476 -0.230
157 1HB LYS 24 1HB LYS 24 -1.196 -7.356 -2.772
158 2HB LYS 24 2HB LYS 24 -0.005 -8.512 -2.316
159 1HG LYS 24 1HG LYS 24 -1.560 -9.332 -0.443
160 2HG LYS 24 2HG LYS 24 -2.715 -8.086 -0.888
161 1HD LYS 24 2HD LYS 24 -3.515 -10.121 -1.834
162 2HD LYS 24 1HD LYS 24 -2.985 -9.116 -3.178
163 1HE LYS 24 2HE LYS 24 -0.825 -10.471 -3.328
164 2HE LYS 24 1HE LYS 24 -1.344 -11.447 -1.946
165 1HZ LYS 24 HZ1 LYS 24 -1.858 -12.527 -4.045
166 2HZ LYS 24 HZ2 LYS 24 -3.269 -12.172 -3.263
167 3HZ LYS 24 HZ3 LYS 24 -2.785 -11.256 -4.549
168 1HN NH2 25 1HN NH2 25 0.475 -9.206 -0.409
169 2HN NH2 25 2HN NH2 25 2.145 -8.867 0.313
Start of MODEL 12
1 1H GLY 1 1H GLY 1 -3.584 10.988 -3.692
2 2H GLY 1 2H GLY 1 -2.183 10.136 -3.900
3 3H GLY 1 3H GLY 1 -2.270 11.713 -4.383
4 1HA GLY 1 2HA GLY 1 -2.568 12.442 -2.023
5 2HA GLY 1 1HA GLY 1 -2.426 10.779 -1.551
6 HA HYP 2 HA HYP 2 1.781 12.140 -1.057
7 1HB HYP 2 1HB HYP 2 1.524 10.974 1.666
8 2HB HYP 2 2HB HYP 2 2.153 12.587 1.244
9 1HD HYP 2 1HD HYP 2 -1.804 12.683 0.078
10 2HD HYP 2 2HD HYP 2 -1.567 11.041 0.643
11 HOD HYP 2 HOD HYP 2 0.370 14.032 0.202
12 HG HYP 2 HG HYP 2 -0.359 12.461 2.436
13 HA HYP 3 HA HYP 3 3.590 8.144 -2.086
14 1HB HYP 3 1HB HYP 3 5.560 8.637 0.179
15 2HB HYP 3 2HB HYP 3 5.996 8.101 -1.382
16 1HD HYP 3 1HD HYP 3 3.803 11.654 -1.576
17 2HD HYP 3 2HD HYP 3 4.311 11.295 0.081
18 HOD HYP 3 HOD HYP 3 5.515 11.132 -3.072
19 HG HYP 3 HG HYP 3 6.323 10.710 -0.995
20 H CYS 4 H CYS 4 3.021 6.412 -1.772
21 HA CYS 4 HA CYS 4 1.854 4.904 0.403
22 1HB CYS 4 1HB CYS 4 1.322 4.772 -1.977
23 2HB CYS 4 2HB CYS 4 2.892 4.326 -2.379
24 H CYS 5 H CYS 5 5.005 5.067 -0.972
25 HA CYS 5 HA CYS 5 6.150 3.267 1.096
26 1HB CYS 5 1HB CYS 5 7.179 3.204 -1.679
27 2HB CYS 5 2HB CYS 5 7.647 2.216 -0.305
28 H LEU 6 H LEU 6 7.506 4.521 1.880
29 HA LEU 6 HA LEU 6 8.620 7.115 0.815
30 1HB LEU 6 2HB LEU 6 6.840 7.417 2.409
31 2HB LEU 6 1HB LEU 6 7.905 6.763 3.640
32 HG LEU 6 HG LEU 6 7.790 9.163 3.589
33 1HD1 LEU 6 1HD1 LEU 6 10.626 8.467 2.807
34 2HD1 LEU 6 2HD1 LEU 6 10.096 9.834 3.820
35 3HD1 LEU 6 3HD1 LEU 6 9.905 8.165 4.418
36 1HD2 LEU 6 1HD2 LEU 6 7.399 9.674 1.204
37 2HD2 LEU 6 2HD2 LEU 6 8.671 10.694 1.910
38 3HD2 LEU 6 3HD2 LEU 6 9.119 9.334 0.854
39 H TYR 7 H TYR 7 10.779 6.849 0.706
40 HA TYR 7 HA TYR 7 12.743 5.710 0.430
41 1HB TYR 7 1HB TYR 7 12.360 5.297 3.331
42 2HB TYR 7 2HB TYR 7 13.806 5.192 2.404
43 HD1 TYR 7 1HD TYR 7 13.481 7.879 0.722
44 HD2 TYR 7 2HD TYR 7 12.853 7.059 4.910
45 HE1 TYR 7 1HE TYR 7 13.970 10.212 1.268
46 HE2 TYR 7 2HE TYR 7 13.358 9.399 5.426
47 HH TYR 7 HH TYR 7 13.885 11.389 4.624
48 H GLY 8 H GLY 8 11.012 4.060 -0.527
49 1HA GLY 8 1HA GLY 8 10.903 1.829 -1.320
50 2HA GLY 8 2HA GLY 8 12.131 1.280 -0.176
51 H SER 9 H SER 9 10.146 2.635 1.862
52 HA SER 9 HA SER 9 9.618 -0.191 2.646
53 1HB SER 9 2HB SER 9 10.888 1.507 4.047
54 2HB SER 9 1HB SER 9 9.426 2.176 4.630
55 HG SER 9 HG SER 9 8.789 0.055 5.265
56 H CYS 10 H CYS 10 7.385 0.958 4.679
57 HA CYS 10 HA CYS 10 5.117 1.192 2.674
58 1HB CYS 10 2HB CYS 10 5.198 -1.257 3.621
59 2HB CYS 10 1HB CYS 10 4.619 -0.517 5.138
60 H ARG 11 H ARG 11 3.614 2.491 3.223
61 HA ARG 11 HA ARG 11 3.570 4.138 5.778
62 1HB ARG 11 1HB ARG 11 5.376 4.795 4.221
63 2HB ARG 11 2HB ARG 11 4.148 5.151 3.004
64 1HG ARG 11 1HG ARG 11 4.650 7.229 3.846
65 2HG ARG 11 2HG ARG 11 3.142 6.827 4.645
66 1HD ARG 11 1HD ARG 11 4.735 7.923 6.238
67 2HD ARG 11 2HD ARG 11 4.365 6.291 6.792
68 HE ARG 11 HE ARG 11 6.638 5.647 5.522
69 1HH1 ARG 11 1HH2 ARG 11 6.103 8.574 7.476
70 2HH1 ARG 11 2HH2 ARG 11 7.881 8.614 7.928
71 1HH2 ARG 11 2HH1 ARG 11 8.646 5.810 6.083
72 2HH2 ARG 11 1HH1 ARG 11 9.221 7.155 7.192
73 HA HYP 12 HA HYP 12 -0.468 2.750 3.983
74 1HB HYP 12 1HB HYP 12 -1.692 3.546 6.640
75 2HB HYP 12 2HB HYP 12 -1.844 2.012 5.737
76 1HD HYP 12 1HD HYP 12 1.384 3.923 7.259
77 2HD HYP 12 2HD HYP 12 2.198 2.547 6.493
78 HOD HYP 12 HOD HYP 12 -0.455 0.369 6.497
79 HG HYP 12 HG HYP 12 -0.134 2.114 7.910
80 H PHE 13 H PHE 13 -1.443 3.942 2.543
81 HA PHE 13 HA PHE 13 -3.122 6.400 3.276
82 1HB PHE 13 1HB PHE 13 -1.085 6.173 0.925
83 2HB PHE 13 2HB PHE 13 -2.306 7.360 0.906
84 HD1 PHE 13 1HD PHE 13 -2.546 8.921 3.045
85 HD2 PHE 13 2HD PHE 13 0.988 6.819 1.875
86 HE1 PHE 13 1HE PHE 13 -1.196 10.513 4.348
87 HE2 PHE 13 2HE PHE 13 2.375 8.440 3.188
88 HZ PHE 13 HZ PHE 13 1.275 10.257 4.449
89 HA HYP 14 HA HYP 14 -6.101 4.708 0.505
90 1HB HYP 14 1HB HYP 14 -7.460 6.809 -0.296
91 2HB HYP 14 2HB HYP 14 -7.354 6.197 1.369
92 1HD HYP 14 1HD HYP 14 -4.115 8.046 1.901
93 2HD HYP 14 2HD HYP 14 -5.426 7.283 2.861
94 HOD HYP 14 HOD HYP 14 -6.492 9.512 2.115
95 HG HYP 14 HG HYP 14 -5.663 8.533 0.245
96 H GLY 15 H GLY 15 -5.794 3.961 -1.195
97 1HA GLY 15 1HA GLY 15 -5.024 3.278 -3.368
98 2HA GLY 15 2HA GLY 15 -4.488 4.915 -3.603
99 H CYS 16 H CYS 16 -3.168 3.528 -0.840
100 HA CYS 16 HA CYS 16 -0.472 3.185 -2.071
101 1HB CYS 16 1HB CYS 16 -0.393 4.280 -0.072
102 2HB CYS 16 2HB CYS 16 -1.404 3.084 0.823
103 H TYR 17 H TYR 17 -2.469 1.163 -0.075
104 HA TYR 17 HA TYR 17 -1.493 -1.529 -0.808
105 1HB TYR 17 2HB TYR 17 -3.911 -2.282 -0.263
106 2HB TYR 17 1HB TYR 17 -2.773 -1.884 0.953
107 HD1 TYR 17 1HD TYR 17 -3.252 -0.277 2.652
108 HD2 TYR 17 2HD TYR 17 -5.632 -0.136 -0.947
109 HE1 TYR 17 1HE TYR 17 -4.595 1.509 3.606
110 HE2 TYR 17 2HE TYR 17 -6.963 1.663 0.034
111 HH TYR 17 HH TYR 17 -6.268 2.938 3.284
112 H ASN 18 H ASN 18 -3.465 0.596 -2.697
113 HA ASN 18 HA ASN 18 -3.724 -1.416 -4.938
114 1HB ASN 18 1HB ASN 18 -5.548 0.196 -4.675
115 2HB ASN 18 2HB ASN 18 -4.456 1.492 -4.917
116 1HD2 ASN 18 1HD2 ASN 18 -4.030 1.838 -7.279
117 2HD2 ASN 18 2HD2 ASN 18 -5.075 0.944 -8.499
118 H ALA 19 H ALA 19 -1.338 0.835 -3.907
119 HA ALA 19 HA ALA 19 -0.024 1.174 -6.615
120 1HB ALA 19 1HB ALA 19 0.818 2.271 -3.807
121 2HB ALA 19 2HB ALA 19 1.583 2.706 -5.336
122 3HB ALA 19 HB3 ALA 19 -0.086 3.199 -5.021
123 H LEU 20 H LEU 20 2.126 0.836 -6.881
124 HA LEU 20 HA LEU 20 2.153 -1.910 -6.888
125 1HB LEU 20 1HB LEU 20 2.940 -0.169 -8.680
126 2HB LEU 20 2HB LEU 20 4.519 -0.269 -7.965
127 HG LEU 20 HG LEU 20 4.275 -1.549 -10.020
128 1HD1 LEU 20 1HD2 LEU 20 5.915 -2.435 -8.309
129 2HD1 LEU 20 2HD2 LEU 20 5.334 -3.653 -9.466
130 3HD1 LEU 20 3HD2 LEU 20 4.698 -3.639 -7.811
131 1HD2 LEU 20 1HD1 LEU 20 2.856 -3.534 -10.329
132 2HD2 LEU 20 2HD1 LEU 20 2.221 -3.405 -8.676
133 3HD2 LEU 20 3HD1 LEU 20 1.837 -2.150 -9.878
134 H CYS 21 H CYS 21 4.616 0.135 -5.197
135 HA CYS 21 HA CYS 21 6.408 -1.971 -4.359
136 1HB CYS 21 1HB CYS 21 7.098 -0.270 -2.751
137 2HB CYS 21 2HB CYS 21 7.259 0.206 -4.436
138 H CYS 22 H CYS 22 3.641 -0.434 -2.567
139 HA CYS 22 HA CYS 22 3.885 -2.628 -0.448
140 1HB CYS 22 2HB CYS 22 4.336 -0.265 0.511
141 2HB CYS 22 1HB CYS 22 2.651 0.130 0.130
142 H ARG 23 H ARG 23 2.878 -3.406 -2.532
143 HA ARG 23 HA ARG 23 0.051 -2.840 -2.878
144 1HB ARG 23 2HB ARG 23 1.719 -3.564 -4.706
145 2HB ARG 23 1HB ARG 23 1.436 -5.224 -4.216
146 1HG ARG 23 2HG ARG 23 -1.081 -4.815 -4.688
147 2HG ARG 23 1HG ARG 23 -0.670 -3.161 -5.149
148 1HD ARG 23 2HD ARG 23 0.973 -4.232 -6.918
149 2HD ARG 23 1HD ARG 23 0.176 -5.773 -6.562
150 HE ARG 23 HE ARG 23 -1.838 -3.699 -7.192
151 1HH1 ARG 23 2HH1 ARG 23 0.600 -5.711 -8.818
152 2HH1 ARG 23 1HH1 ARG 23 -0.308 -5.550 -10.404
153 1HH2 ARG 23 1HH2 ARG 23 -2.798 -3.602 -9.039
154 2HH2 ARG 23 2HH2 ARG 23 -2.103 -4.435 -10.518
155 H LYS 24 H LYS 24 -0.202 -3.254 -0.655
156 HA LYS 24 HA LYS 24 -0.708 -6.051 0.352
157 1HB LYS 24 1HB LYS 24 0.467 -4.028 1.557
158 2HB LYS 24 2HB LYS 24 -1.112 -3.406 1.878
159 1HG LYS 24 2HG LYS 24 -1.627 -5.564 3.187
160 2HG LYS 24 1HG LYS 24 -0.035 -6.167 2.758
161 1HD LYS 24 2HD LYS 24 0.109 -5.348 5.002
162 2HD LYS 24 1HD LYS 24 1.052 -4.256 3.997
163 1HE LYS 24 2HE LYS 24 -0.880 -2.578 4.028
164 2HE LYS 24 1HE LYS 24 -1.827 -3.699 5.016
165 1HZ LYS 24 HZ1 LYS 24 0.781 -2.491 5.809
166 2HZ LYS 24 HZ2 LYS 24 -0.707 -2.041 6.369
167 3HZ LYS 24 HZ3 LYS 24 -0.102 -3.533 6.738
168 1HN NH2 25 1HN NH2 25 -2.850 -4.598 2.076
169 2HN NH2 25 2HN NH2 25 -4.297 -4.377 0.948
Start of MODEL 13
1 1H GLY 1 1H GLY 1 -2.415 13.917 -2.343
2 2H GLY 1 2H GLY 1 -1.872 12.416 -2.769
3 3H GLY 1 3H GLY 1 -1.051 13.762 -3.262
4 1HA GLY 1 1HA GLY 1 -0.456 14.313 -0.943
5 2HA GLY 1 2HA GLY 1 -1.356 12.918 -0.409
6 HA HYP 2 HA HYP 2 3.274 12.455 -0.819
7 1HB HYP 2 1HB HYP 2 3.113 10.876 1.713
8 2HB HYP 2 2HB HYP 2 4.182 12.253 1.364
9 1HD HYP 2 1HD HYP 2 0.391 13.819 1.081
10 2HD HYP 2 2HD HYP 2 0.083 12.148 1.483
11 HOD HYP 2 HOD HYP 2 2.091 14.812 2.187
12 HG HYP 2 HG HYP 2 2.047 12.740 3.045
13 HA HYP 3 HA HYP 3 3.783 8.124 -2.482
14 1HB HYP 3 1HB HYP 3 6.279 8.048 -0.783
15 2HB HYP 3 2HB HYP 3 6.134 7.651 -2.453
16 1HD HYP 3 1HD HYP 3 4.943 11.576 -1.848
17 2HD HYP 3 2HD HYP 3 5.617 10.883 -0.362
18 HOD HYP 3 HOD HYP 3 5.050 9.742 -3.692
19 HG HYP 3 HG HYP 3 7.221 10.005 -1.874
20 H CYS 4 H CYS 4 2.987 6.493 -2.028
21 HA CYS 4 HA CYS 4 1.898 5.122 0.189
22 1HB CYS 4 1HB CYS 4 1.369 4.849 -2.144
23 2HB CYS 4 2HB CYS 4 2.921 4.362 -2.549
24 H CYS 5 H CYS 5 5.049 4.926 -1.156
25 HA CYS 5 HA CYS 5 6.064 3.268 1.088
26 1HB CYS 5 1HB CYS 5 7.212 3.053 -1.643
27 2HB CYS 5 2HB CYS 5 7.628 2.139 -0.212
28 H LEU 6 H LEU 6 7.438 4.468 1.873
29 HA LEU 6 HA LEU 6 8.439 7.135 0.907
30 1HB LEU 6 2HB LEU 6 6.675 7.114 2.741
31 2HB LEU 6 1HB LEU 6 8.023 6.715 3.758
32 HG LEU 6 HG LEU 6 7.907 9.004 3.873
33 1HD1 LEU 6 1HD2 LEU 6 9.627 9.042 1.349
34 2HD1 LEU 6 2HD2 LEU 6 9.593 10.275 2.634
35 3HD1 LEU 6 3HD2 LEU 6 10.208 8.638 2.985
36 1HD2 LEU 6 1HD1 LEU 6 7.043 9.375 0.981
37 2HD2 LEU 6 2HD1 LEU 6 7.138 10.651 2.226
38 3HD2 LEU 6 3HD1 LEU 6 5.963 9.332 2.405
39 H TYR 7 H TYR 7 10.643 7.097 1.022
40 HA TYR 7 HA TYR 7 12.635 6.045 0.607
41 1HB TYR 7 1HB TYR 7 12.250 5.409 3.478
42 2HB TYR 7 2HB TYR 7 13.713 5.413 2.571
43 HD1 TYR 7 1HD TYR 7 14.032 7.921 1.167
44 HD2 TYR 7 2HD TYR 7 12.040 7.310 4.941
45 HE1 TYR 7 1HE TYR 7 14.389 10.276 1.754
46 HE2 TYR 7 2HE TYR 7 12.418 9.668 5.507
47 HH TYR 7 HH TYR 7 13.249 11.609 4.851
48 H GLY 8 H GLY 8 10.914 4.339 -0.392
49 1HA GLY 8 1HA GLY 8 10.878 2.134 -1.302
50 2HA GLY 8 2HA GLY 8 12.161 1.581 -0.221
51 H SER 9 H SER 9 10.168 2.781 1.932
52 HA SER 9 HA SER 9 9.742 -0.080 2.618
53 1HB SER 9 2HB SER 9 10.896 1.626 4.112
54 2HB SER 9 1HB SER 9 9.380 2.197 4.676
55 HG SER 9 HG SER 9 8.845 0.025 5.219
56 H CYS 10 H CYS 10 7.410 0.808 4.658
57 HA CYS 10 HA CYS 10 5.122 1.029 2.652
58 1HB CYS 10 2HB CYS 10 5.335 -1.152 4.820
59 2HB CYS 10 1HB CYS 10 3.822 -0.671 4.055
60 H ARG 11 H ARG 11 3.716 2.477 3.180
61 HA ARG 11 HA ARG 11 3.412 3.558 5.974
62 1HB ARG 11 1HB ARG 11 5.241 4.705 4.823
63 2HB ARG 11 2HB ARG 11 4.127 5.170 3.522
64 1HG ARG 11 2HG ARG 11 2.763 6.493 5.020
65 2HG ARG 11 1HG ARG 11 3.580 5.868 6.449
66 1HD ARG 11 1HD ARG 11 4.846 7.823 4.397
67 2HD ARG 11 2HD ARG 11 4.178 8.255 5.968
68 HE ARG 11 HE ARG 11 6.267 6.136 6.182
69 1HH1 ARG 11 2HH1 ARG 11 5.781 9.658 6.029
70 2HH1 ARG 11 1HH1 ARG 11 7.423 9.938 6.800
71 1HH2 ARG 11 1HH2 ARG 11 8.131 6.577 7.046
72 2HH2 ARG 11 2HH2 ARG 11 8.662 8.309 7.336
73 HA HYP 12 HA HYP 12 -0.655 2.779 4.033
74 1HB HYP 12 1HB HYP 12 -2.397 3.190 6.163
75 2HB HYP 12 2HB HYP 12 -1.318 1.776 5.966
76 1HD HYP 12 1HD HYP 12 1.463 2.304 6.809
77 2HD HYP 12 2HD HYP 12 1.606 4.030 7.256
78 HOD HYP 12 HOD HYP 12 -0.349 1.494 7.985
79 HG HYP 12 HG HYP 12 -0.715 4.296 7.648
80 H PHE 13 H PHE 13 -1.549 3.968 2.653
81 HA PHE 13 HA PHE 13 -2.898 6.651 3.232
82 1HB PHE 13 1HB PHE 13 -0.952 6.098 0.861
83 2HB PHE 13 2HB PHE 13 -2.038 7.401 0.816
84 HD1 PHE 13 1HD PHE 13 -1.975 9.211 2.621
85 HD2 PHE 13 2HD PHE 13 1.184 6.423 1.904
86 HE1 PHE 13 1HE PHE 13 -0.387 10.760 3.701
87 HE2 PHE 13 2HE PHE 13 2.809 7.985 2.977
88 HZ PHE 13 HZ PHE 13 2.015 10.141 3.898
89 HA HYP 14 HA HYP 14 -6.009 5.036 0.547
90 1HB HYP 14 1HB HYP 14 -7.235 7.200 -0.328
91 2HB HYP 14 2HB HYP 14 -7.150 6.651 1.359
92 1HD HYP 14 1HD HYP 14 -3.780 8.287 1.789
93 2HD HYP 14 2HD HYP 14 -5.137 7.663 2.786
94 HOD HYP 14 HOD HYP 14 -7.297 9.520 1.040
95 HG HYP 14 HG HYP 14 -5.309 8.810 0.119
96 H GLY 15 H GLY 15 -5.801 4.215 -1.144
97 1HA GLY 15 1HA GLY 15 -5.153 3.419 -3.314
98 2HA GLY 15 2HA GLY 15 -4.512 5.007 -3.626
99 H CYS 16 H CYS 16 -3.144 3.788 -0.875
100 HA CYS 16 HA CYS 16 -0.528 3.184 -2.173
101 1HB CYS 16 1HB CYS 16 -0.342 4.418 -0.264
102 2HB CYS 16 2HB CYS 16 -1.353 3.334 0.757
103 H TYR 17 H TYR 17 -2.682 1.409 -0.117
104 HA TYR 17 HA TYR 17 -1.635 -1.345 -0.526
105 1HB TYR 17 2HB TYR 17 -3.966 -2.125 0.087
106 2HB TYR 17 1HB TYR 17 -2.976 -1.371 1.272
107 HD1 TYR 17 1HD TYR 17 -5.935 -0.540 -1.022
108 HD2 TYR 17 2HD TYR 17 -3.694 0.605 2.486
109 HE1 TYR 17 1HE TYR 17 -7.623 1.140 -0.459
110 HE2 TYR 17 2HE TYR 17 -5.392 2.266 3.021
111 HH TYR 17 HH TYR 17 -7.287 3.235 2.397
112 H ASN 18 H ASN 18 -3.534 0.613 -2.688
113 HA ASN 18 HA ASN 18 -3.751 -1.597 -4.735
114 1HB ASN 18 1HB ASN 18 -5.504 0.208 -4.678
115 2HB ASN 18 2HB ASN 18 -4.271 1.325 -5.114
116 1HD2 ASN 18 1HD2 ASN 18 -4.079 1.426 -7.509
117 2HD2 ASN 18 2HD2 ASN 18 -5.093 0.312 -8.555
118 H ALA 19 H ALA 19 -1.270 0.594 -3.779
119 HA ALA 19 HA ALA 19 -0.093 0.970 -6.537
120 1HB ALA 19 1HB ALA 19 -0.172 2.939 -4.865
121 2HB ALA 19 2HB ALA 19 0.883 2.031 -3.763
122 3HB ALA 19 HB3 ALA 19 1.491 2.564 -5.332
123 H LEU 20 H LEU 20 2.116 0.851 -6.839
124 HA LEU 20 HA LEU 20 2.357 -1.856 -7.160
125 1HB LEU 20 2HB LEU 20 2.993 -0.066 -8.782
126 2HB LEU 20 1HB LEU 20 4.467 0.258 -7.912
127 HG LEU 20 HG LEU 20 4.663 -0.982 -10.066
128 1HD1 LEU 20 1HD2 LEU 20 5.869 -2.631 -7.772
129 2HD1 LEU 20 2HD2 LEU 20 6.437 -2.534 -9.450
130 3HD1 LEU 20 3HD2 LEU 20 6.524 -1.102 -8.404
131 1HD2 LEU 20 1HD1 LEU 20 2.657 -2.464 -9.937
132 2HD2 LEU 20 2HD1 LEU 20 4.132 -3.381 -10.307
133 3HD2 LEU 20 3HD1 LEU 20 3.441 -3.438 -8.669
134 H CYS 21 H CYS 21 4.688 0.112 -5.186
135 HA CYS 21 HA CYS 21 6.465 -2.032 -4.406
136 1HB CYS 21 1HB CYS 21 7.033 -0.442 -2.644
137 2HB CYS 21 2HB CYS 21 7.299 0.146 -4.282
138 H CYS 22 H CYS 22 3.649 -0.659 -2.638
139 HA CYS 22 HA CYS 22 3.835 -3.010 -0.670
140 1HB CYS 22 2HB CYS 22 2.755 -0.185 -0.196
141 2HB CYS 22 1HB CYS 22 2.595 -1.562 0.930
142 H ARG 23 H ARG 23 3.028 -3.870 -2.671
143 HA ARG 23 HA ARG 23 0.343 -3.481 -3.525
144 1HB ARG 23 1HB ARG 23 0.704 -5.349 -5.025
145 2HB ARG 23 2HB ARG 23 2.025 -4.222 -5.041
146 1HG ARG 23 1HG ARG 23 3.422 -5.833 -3.635
147 2HG ARG 23 2HG ARG 23 2.075 -6.942 -3.582
148 1HD ARG 23 1HD ARG 23 3.434 -7.841 -5.315
149 2HD ARG 23 2HD ARG 23 2.133 -7.051 -6.198
150 HE ARG 23 HE ARG 23 4.381 -5.166 -5.863
151 1HH1 ARG 23 2HH1 ARG 23 3.515 -8.078 -7.712
152 2HH1 ARG 23 1HH1 ARG 23 4.736 -7.635 -9.008
153 1HH2 ARG 23 2HH2 ARG 23 5.739 -4.762 -7.396
154 2HH2 ARG 23 1HH2 ARG 23 5.909 -5.884 -8.839
155 H LYS 24 H LYS 24 -0.258 -3.626 -1.193
156 HA LYS 24 HA LYS 24 -1.203 -6.305 -0.190
157 1HB LYS 24 1HB LYS 24 -0.278 -4.235 1.175
158 2HB LYS 24 2HB LYS 24 -1.873 -3.587 1.078
159 1HG LYS 24 2HG LYS 24 -2.734 -5.737 2.223
160 2HG LYS 24 1HG LYS 24 -1.068 -6.308 2.314
161 1HD LYS 24 1HD LYS 24 -0.451 -4.280 3.704
162 2HD LYS 24 2HD LYS 24 -2.117 -3.699 3.598
163 1HE LYS 24 2HE LYS 24 -2.926 -5.795 4.792
164 2HE LYS 24 1HE LYS 24 -1.257 -6.377 4.899
165 1HZ LYS 24 HZ1 LYS 24 -0.713 -4.398 6.221
166 2HZ LYS 24 HZ2 LYS 24 -1.935 -5.257 6.928
167 3HZ LYS 24 HZ3 LYS 24 -2.270 -3.854 6.122
168 1HN NH2 25 1HN NH2 25 -3.618 -4.606 0.820
169 2HN NH2 25 2HN NH2 25 -4.724 -4.450 -0.654
Start of MODEL 14
1 1H GLY 1 1H GLY 1 -0.147 13.400 -5.183
2 2H GLY 1 2H GLY 1 0.617 14.758 -4.635
3 3H GLY 1 3H GLY 1 -1.033 14.705 -4.693
4 1HA GLY 1 1HA GLY 1 -0.313 14.438 -2.389
5 2HA GLY 1 2HA GLY 1 -1.143 13.018 -2.955
6 HA HYP 2 HA HYP 2 3.116 12.437 -1.042
7 1HB HYP 2 1HB HYP 2 2.456 10.839 1.208
8 2HB HYP 2 2HB HYP 2 2.664 12.589 1.212
9 1HD HYP 2 1HD HYP 2 -0.954 12.445 -0.724
10 2HD HYP 2 2HD HYP 2 -0.038 13.812 -0.197
11 HOD HYP 2 HOD HYP 2 -0.652 12.939 2.119
12 HG HYP 2 HG HYP 2 -0.016 11.069 1.038
13 HA HYP 3 HA HYP 3 3.803 8.114 -2.690
14 1HB HYP 3 1HB HYP 3 6.135 8.088 -0.783
15 2HB HYP 3 2HB HYP 3 6.144 7.745 -2.474
16 1HD HYP 3 1HD HYP 3 4.899 11.669 -1.771
17 2HD HYP 3 2HD HYP 3 5.326 10.817 -0.277
18 HOD HYP 3 HOD HYP 3 5.164 9.890 -3.723
19 HG HYP 3 HG HYP 3 7.136 10.105 -1.689
20 H CYS 4 H CYS 4 2.922 6.533 -2.215
21 HA CYS 4 HA CYS 4 1.796 5.180 -0.005
22 1HB CYS 4 1HB CYS 4 1.325 4.859 -2.328
23 2HB CYS 4 2HB CYS 4 2.890 4.405 -2.711
24 H CYS 5 H CYS 5 4.994 4.949 -1.290
25 HA CYS 5 HA CYS 5 5.910 3.260 0.959
26 1HB CYS 5 1HB CYS 5 7.123 3.024 -1.743
27 2HB CYS 5 2HB CYS 5 7.407 2.031 -0.319
28 H LEU 6 H LEU 6 7.422 4.359 1.762
29 HA LEU 6 HA LEU 6 8.258 7.130 0.856
30 1HB LEU 6 2HB LEU 6 6.609 6.943 2.723
31 2HB LEU 6 1HB LEU 6 7.986 6.528 3.697
32 HG LEU 6 HG LEU 6 7.778 8.802 3.952
33 1HD1 LEU 6 1HD2 LEU 6 9.523 9.013 1.447
34 2HD1 LEU 6 2HD2 LEU 6 9.435 10.195 2.775
35 3HD1 LEU 6 3HD2 LEU 6 10.094 8.566 3.075
36 1HD2 LEU 6 1HD1 LEU 6 6.891 9.292 1.090
37 2HD2 LEU 6 2HD1 LEU 6 5.829 9.136 2.520
38 3HD2 LEU 6 3HD1 LEU 6 6.954 10.506 2.401
39 H TYR 7 H TYR 7 10.421 7.102 0.599
40 HA TYR 7 HA TYR 7 12.415 6.092 0.050
41 1HB TYR 7 1HB TYR 7 12.423 5.779 2.992
42 2HB TYR 7 2HB TYR 7 13.762 5.796 1.907
43 HD1 TYR 7 1HD TYR 7 13.293 8.237 0.157
44 HD2 TYR 7 2HD TYR 7 12.586 7.732 4.379
45 HE1 TYR 7 1HE TYR 7 13.532 10.652 0.500
46 HE2 TYR 7 2HE TYR 7 12.838 10.154 4.696
47 HH TYR 7 HH TYR 7 13.498 12.320 1.951
48 H GLY 8 H GLY 8 10.792 4.227 -0.606
49 1HA GLY 8 1HA GLY 8 10.731 1.895 -1.176
50 2HA GLY 8 2HA GLY 8 11.963 1.478 0.018
51 H SER 9 H SER 9 10.322 2.993 2.014
52 HA SER 9 HA SER 9 9.429 0.341 2.979
53 1HB SER 9 2HB SER 9 10.992 1.797 4.243
54 2HB SER 9 1HB SER 9 9.716 2.812 4.832
55 HG SER 9 HG SER 9 8.717 0.902 5.646
56 H CYS 10 H CYS 10 7.650 0.122 4.422
57 HA CYS 10 HA CYS 10 5.217 0.764 2.714
58 1HB CYS 10 2HB CYS 10 5.597 -1.488 4.762
59 2HB CYS 10 1HB CYS 10 4.042 -1.096 4.015
60 H ARG 11 H ARG 11 3.811 2.172 3.242
61 HA ARG 11 HA ARG 11 3.493 3.199 6.060
62 1HB ARG 11 1HB ARG 11 5.348 4.298 4.849
63 2HB ARG 11 2HB ARG 11 4.155 4.885 3.656
64 1HG ARG 11 1HG ARG 11 2.938 6.062 5.441
65 2HG ARG 11 2HG ARG 11 3.956 5.328 6.684
66 1HD ARG 11 1HD ARG 11 4.954 7.449 4.646
67 2HD ARG 11 2HD ARG 11 4.466 7.772 6.308
68 HE ARG 11 HE ARG 11 6.557 5.642 6.085
69 1HH1 ARG 11 2HH2 ARG 11 6.047 9.148 6.422
70 2HH1 ARG 11 1HH2 ARG 11 7.754 9.358 7.059
71 1HH2 ARG 11 1HH1 ARG 11 8.497 6.004 6.815
72 2HH2 ARG 11 2HH1 ARG 11 9.047 7.695 7.266
73 HA HYP 12 HA HYP 12 -0.600 2.525 4.115
74 1HB HYP 12 1HB HYP 12 -2.329 2.946 6.254
75 2HB HYP 12 2HB HYP 12 -1.279 1.513 6.039
76 1HD HYP 12 1HD HYP 12 1.525 1.986 6.882
77 2HD HYP 12 2HD HYP 12 1.693 3.704 7.344
78 HOD HYP 12 HOD HYP 12 0.071 2.315 9.116
79 HG HYP 12 HG HYP 12 -0.624 3.998 7.752
80 H PHE 13 H PHE 13 -1.496 3.752 2.752
81 HA PHE 13 HA PHE 13 -2.707 6.490 3.361
82 1HB PHE 13 1HB PHE 13 -0.741 5.898 1.020
83 2HB PHE 13 2HB PHE 13 -1.757 7.258 0.986
84 HD1 PHE 13 1HD PHE 13 -1.644 9.001 2.865
85 HD2 PHE 13 2HD PHE 13 1.391 6.102 2.065
86 HE1 PHE 13 1HE PHE 13 0.014 10.457 3.975
87 HE2 PHE 13 2HE PHE 13 3.084 7.559 3.177
88 HZ PHE 13 HZ PHE 13 2.391 9.735 4.140
89 HA HYP 14 HA HYP 14 -5.846 5.111 0.586
90 1HB HYP 14 1HB HYP 14 -6.966 7.363 -0.216
91 2HB HYP 14 2HB HYP 14 -6.920 6.753 1.450
92 1HD HYP 14 1HD HYP 14 -3.474 8.209 1.949
93 2HD HYP 14 2HD HYP 14 -4.866 7.620 2.919
94 HOD HYP 14 HOD HYP 14 -6.673 8.780 2.556
95 HG HYP 14 HG HYP 14 -4.968 8.863 0.293
96 H GLY 15 H GLY 15 -5.685 4.354 -1.138
97 1HA GLY 15 1HA GLY 15 -5.090 3.609 -3.344
98 2HA GLY 15 2HA GLY 15 -4.396 5.183 -3.602
99 H CYS 16 H CYS 16 -3.068 3.758 -0.916
100 HA CYS 16 HA CYS 16 -0.477 3.178 -2.256
101 1HB CYS 16 1HB CYS 16 -0.310 4.332 -0.306
102 2HB CYS 16 2HB CYS 16 -1.279 3.179 0.682
103 H TYR 17 H TYR 17 -2.641 1.331 -0.284
104 HA TYR 17 HA TYR 17 -1.679 -1.426 -0.891
105 1HB TYR 17 1HB TYR 17 -3.996 -2.181 -0.208
106 2HB TYR 17 2HB TYR 17 -2.942 -1.503 0.969
107 HD1 TYR 17 1HD TYR 17 -3.614 0.358 2.348
108 HD2 TYR 17 2HD TYR 17 -5.895 -0.395 -1.239
109 HE1 TYR 17 1HE TYR 17 -5.186 2.107 2.974
110 HE2 TYR 17 2HE TYR 17 -7.457 1.370 -0.585
111 HH TYR 17 HH TYR 17 -7.000 3.250 2.402
112 H ASN 18 H ASN 18 -3.325 0.739 -2.971
113 HA ASN 18 HA ASN 18 -3.680 -1.450 -5.052
114 1HB ASN 18 1HB ASN 18 -5.484 0.252 -4.950
115 2HB ASN 18 2HB ASN 18 -4.324 1.463 -5.307
116 1HD2 ASN 18 1HD2 ASN 18 -3.914 1.581 -7.688
117 2HD2 ASN 18 2HD2 ASN 18 -4.947 0.567 -8.819
118 H ALA 19 H ALA 19 -1.289 0.792 -4.045
119 HA ALA 19 HA ALA 19 0.061 1.020 -6.762
120 1HB ALA 19 1HB ALA 19 1.546 2.740 -5.594
121 2HB ALA 19 2HB ALA 19 -0.160 3.167 -5.361
122 3HB ALA 19 HB3 ALA 19 0.758 2.400 -4.046
123 H LEU 20 H LEU 20 2.134 0.533 -7.057
124 HA LEU 20 HA LEU 20 2.100 -2.135 -6.685
125 1HB LEU 20 2HB LEU 20 2.956 -0.870 -8.678
126 2HB LEU 20 1HB LEU 20 4.503 -0.676 -7.899
127 HG LEU 20 HG LEU 20 4.373 -2.418 -9.675
128 1HD1 LEU 20 1HD1 LEU 20 5.727 -4.144 -8.666
129 2HD1 LEU 20 2HD1 LEU 20 6.141 -2.606 -7.864
130 3HD1 LEU 20 3HD1 LEU 20 5.114 -3.807 -7.039
131 1HD2 LEU 20 1HD2 LEU 20 2.069 -3.310 -9.236
132 2HD2 LEU 20 2HD2 LEU 20 2.659 -4.119 -7.761
133 3HD2 LEU 20 3HD2 LEU 20 3.282 -4.610 -9.353
134 H CYS 21 H CYS 21 4.761 -0.190 -5.257
135 HA CYS 21 HA CYS 21 6.375 -2.288 -4.219
136 1HB CYS 21 1HB CYS 21 7.055 -0.478 -2.648
137 2HB CYS 21 2HB CYS 21 7.336 -0.157 -4.346
138 H CYS 22 H CYS 22 3.468 -1.011 -2.784
139 HA CYS 22 HA CYS 22 3.661 -2.881 -0.468
140 1HB CYS 22 1HB CYS 22 3.134 0.114 -0.021
141 2HB CYS 22 2HB CYS 22 2.884 -1.167 1.185
142 H ARG 23 H ARG 23 2.429 -2.959 -2.907
143 HA ARG 23 HA ARG 23 -0.382 -2.617 -2.663
144 1HB ARG 23 2HB ARG 23 0.723 -3.090 -4.840
145 2HB ARG 23 1HB ARG 23 1.076 -4.735 -4.351
146 1HG ARG 23 2HG ARG 23 -1.434 -5.172 -4.190
147 2HG ARG 23 1HG ARG 23 -1.755 -3.544 -4.739
148 1HD ARG 23 2HD ARG 23 -0.015 -5.493 -6.428
149 2HD ARG 23 1HD ARG 23 -1.769 -5.614 -6.453
150 HE ARG 23 HE ARG 23 -1.400 -2.887 -7.019
151 1HH1 ARG 23 1HH2 ARG 23 -0.305 -5.905 -8.538
152 2HH1 ARG 23 2HH2 ARG 23 -0.312 -5.090 -10.181
153 1HH2 ARG 23 2HH1 ARG 23 -1.313 -2.047 -8.915
154 2HH2 ARG 23 1HH1 ARG 23 -0.846 -3.050 -10.378
155 H LYS 24 H LYS 24 1.337 -5.745 -2.188
156 HA LYS 24 HA LYS 24 -1.023 -6.833 -0.585
157 1HB LYS 24 1HB LYS 24 1.268 -8.194 -2.173
158 2HB LYS 24 2HB LYS 24 0.164 -9.047 -1.143
159 1HG LYS 24 1HG LYS 24 -0.752 -7.423 -3.602
160 2HG LYS 24 2HG LYS 24 -0.468 -9.149 -3.583
161 1HD LYS 24 2HD LYS 24 -2.272 -9.461 -1.858
162 2HD LYS 24 1HD LYS 24 -2.616 -7.739 -1.869
163 1HE LYS 24 1HE LYS 24 -2.866 -9.578 -4.347
164 2HE LYS 24 2HE LYS 24 -4.194 -9.162 -3.267
165 1HZ LYS 24 HZ1 LYS 24 -2.651 -7.188 -4.876
166 2HZ LYS 24 HZ2 LYS 24 -3.899 -6.818 -3.858
167 3HZ LYS 24 HZ3 LYS 24 -4.176 -7.733 -5.205
168 1HN NH2 25 1HN NH2 25 1.137 -8.785 0.492
169 2HN NH2 25 2HN NH2 25 1.604 -7.866 2.065
Start of MODEL 15
1 1H GLY 1 1H GLY 1 -0.798 11.265 -5.271
2 2H GLY 1 2H GLY 1 -1.806 12.572 -5.343
3 3H GLY 1 3H GLY 1 -0.169 12.793 -5.287
4 1HA GLY 1 1HA GLY 1 -1.165 13.286 -3.100
5 2HA GLY 1 2HA GLY 1 -1.871 11.689 -3.089
6 HA HYP 2 HA HYP 2 2.229 12.188 -0.915
7 1HB HYP 2 1HB HYP 2 1.475 11.286 1.647
8 2HB HYP 2 2HB HYP 2 1.606 12.972 1.107
9 1HD HYP 2 1HD HYP 2 -1.595 12.826 -0.920
10 2HD HYP 2 2HD HYP 2 -1.624 11.103 -0.700
11 HOD HYP 2 HOD HYP 2 -0.357 13.730 2.126
12 HG HYP 2 HG HYP 2 -0.997 11.636 1.678
13 HA HYP 3 HA HYP 3 3.658 8.139 -1.867
14 1HB HYP 3 1HB HYP 3 5.623 8.386 0.420
15 2HB HYP 3 2HB HYP 3 5.999 8.039 -1.255
16 1HD HYP 3 1HD HYP 3 4.359 11.161 0.624
17 2HD HYP 3 2HD HYP 3 4.206 11.570 -1.058
18 HOD HYP 3 HOD HYP 3 6.709 9.873 -2.408
19 HG HYP 3 HG HYP 3 6.468 10.493 -0.216
20 H CYS 4 H CYS 4 2.985 6.422 -1.625
21 HA CYS 4 HA CYS 4 1.834 4.857 0.504
22 1HB CYS 4 1HB CYS 4 1.300 4.796 -1.880
23 2HB CYS 4 2HB CYS 4 2.860 4.343 -2.290
24 H CYS 5 H CYS 5 5.005 4.961 -0.909
25 HA CYS 5 HA CYS 5 6.126 3.211 1.147
26 1HB CYS 5 1HB CYS 5 7.146 3.015 -1.637
27 2HB CYS 5 2HB CYS 5 7.570 2.035 -0.252
28 H LEU 6 H LEU 6 7.692 4.361 1.844
29 HA LEU 6 HA LEU 6 8.721 6.881 0.488
30 1HB LEU 6 2HB LEU 6 6.910 7.317 1.937
31 2HB LEU 6 1HB LEU 6 7.840 6.772 3.299
32 HG LEU 6 HG LEU 6 7.666 9.258 2.712
33 1HD1 LEU 6 1HD1 LEU 6 9.764 9.799 3.934
34 2HD1 LEU 6 2HD1 LEU 6 10.284 8.101 3.705
35 3HD1 LEU 6 3HD1 LEU 6 8.835 8.473 4.671
36 1HD2 LEU 6 1HD2 LEU 6 9.414 10.394 1.499
37 2HD2 LEU 6 2HD2 LEU 6 8.523 9.293 0.421
38 3HD2 LEU 6 3HD2 LEU 6 10.143 8.834 1.023
39 H TYR 7 H TYR 7 10.896 6.744 0.460
40 HA TYR 7 HA TYR 7 12.830 5.528 0.187
41 1HB TYR 7 1HB TYR 7 12.601 5.450 3.131
42 2HB TYR 7 2HB TYR 7 13.995 5.341 2.138
43 HD1 TYR 7 1HD TYR 7 13.565 7.756 0.204
44 HD2 TYR 7 2HD TYR 7 12.736 7.476 4.427
45 HE1 TYR 7 1HE TYR 7 13.807 10.179 0.428
46 HE2 TYR 7 2HE TYR 7 12.991 9.902 4.620
47 HH TYR 7 HH TYR 7 13.727 11.920 1.785
48 H GLY 8 H GLY 8 11.030 3.798 -0.420
49 1HA GLY 8 1HA GLY 8 10.962 1.487 -1.017
50 2HA GLY 8 2HA GLY 8 12.030 1.013 0.316
51 H SER 9 H SER 9 10.335 2.701 2.126
52 HA SER 9 HA SER 9 9.048 0.264 2.973
53 1HB SER 9 1HB SER 9 9.311 1.624 5.143
54 2HB SER 9 2HB SER 9 10.715 1.071 4.282
55 HG SER 9 HG SER 9 10.902 3.224 3.527
56 H CYS 10 H CYS 10 7.205 -0.013 3.936
57 HA CYS 10 HA CYS 10 4.941 1.290 2.561
58 1HB CYS 10 1HB CYS 10 4.696 -0.784 4.750
59 2HB CYS 10 2HB CYS 10 3.487 -0.502 3.550
60 H ARG 11 H ARG 11 3.651 2.715 3.274
61 HA ARG 11 HA ARG 11 3.593 3.896 6.060
62 1HB ARG 11 1HB ARG 11 5.585 4.554 4.653
63 2HB ARG 11 2HB ARG 11 4.376 5.398 3.637
64 1HG ARG 11 2HG ARG 11 3.657 6.483 5.983
65 2HG ARG 11 1HG ARG 11 5.079 5.669 6.633
66 1HD ARG 11 2HD ARG 11 5.750 7.957 6.352
67 2HD ARG 11 1HD ARG 11 6.574 7.076 5.058
68 HE ARG 11 HE ARG 11 4.033 7.707 4.025
69 1HH1 ARG 11 1HH2 ARG 11 6.610 9.715 5.446
70 2HH1 ARG 11 2HH2 ARG 11 6.117 11.173 4.447
71 1HH2 ARG 11 2HH1 ARG 11 3.609 9.489 2.806
72 2HH2 ARG 11 1HH1 ARG 11 4.538 11.051 3.059
73 HA HYP 12 HA HYP 12 -0.274 3.038 4.037
74 1HB HYP 12 1HB HYP 12 -2.157 3.212 6.117
75 2HB HYP 12 2HB HYP 12 -0.950 1.912 5.899
76 1HD HYP 12 1HD HYP 12 1.732 4.352 7.378
77 2HD HYP 12 2HD HYP 12 1.730 2.659 6.810
78 HOD HYP 12 HOD HYP 12 0.200 2.777 9.040
79 HG HYP 12 HG HYP 12 -0.636 4.410 7.693
80 H PHE 13 H PHE 13 -1.618 3.943 2.757
81 HA PHE 13 HA PHE 13 -3.128 6.529 3.293
82 1HB PHE 13 1HB PHE 13 -1.147 6.132 0.909
83 2HB PHE 13 2HB PHE 13 -2.335 7.353 0.868
84 HD1 PHE 13 1HD PHE 13 -2.447 9.098 2.791
85 HD2 PHE 13 2HD PHE 13 0.930 6.601 2.007
86 HE1 PHE 13 1HE PHE 13 -1.053 10.594 4.162
87 HE2 PHE 13 2HE PHE 13 2.339 8.063 3.432
88 HZ PHE 13 HZ PHE 13 1.359 10.074 4.505
89 HA HYP 14 HA HYP 14 -6.143 4.734 0.611
90 1HB HYP 14 1HB HYP 14 -7.499 6.824 -0.245
91 2HB HYP 14 2HB HYP 14 -7.381 6.268 1.437
92 1HD HYP 14 1HD HYP 14 -4.122 8.107 1.869
93 2HD HYP 14 2HD HYP 14 -5.431 7.399 2.873
94 HOD HYP 14 HOD HYP 14 -7.709 9.122 1.142
95 HG HYP 14 HG HYP 14 -5.679 8.548 0.216
96 H GLY 15 H GLY 15 -5.892 3.948 -1.095
97 1HA GLY 15 1HA GLY 15 -5.166 3.211 -3.264
98 2HA GLY 15 2HA GLY 15 -4.617 4.837 -3.546
99 H CYS 16 H CYS 16 -3.238 3.569 -0.789
100 HA CYS 16 HA CYS 16 -0.566 3.146 -2.043
101 1HB CYS 16 1HB CYS 16 -0.463 4.248 -0.044
102 2HB CYS 16 2HB CYS 16 -1.478 3.073 0.866
103 H TYR 17 H TYR 17 -2.696 1.162 -0.161
104 HA TYR 17 HA TYR 17 -1.594 -1.534 -0.767
105 1HB TYR 17 2HB TYR 17 -3.994 -2.355 -0.346
106 2HB TYR 17 1HB TYR 17 -2.982 -1.848 0.944
107 HD1 TYR 17 1HD TYR 17 -3.630 -0.084 2.467
108 HD2 TYR 17 2HD TYR 17 -5.849 -0.482 -1.215
109 HE1 TYR 17 1HE TYR 17 -5.209 1.599 3.232
110 HE2 TYR 17 2HE TYR 17 -7.421 1.214 -0.420
111 HH TYR 17 HH TYR 17 -7.012 2.801 2.739
112 H ASN 18 H ASN 18 -3.558 0.541 -2.760
113 HA ASN 18 HA ASN 18 -3.709 -1.464 -5.006
114 1HB ASN 18 1HB ASN 18 -5.494 0.274 -4.799
115 2HB ASN 18 2HB ASN 18 -4.297 1.471 -5.094
116 1HD2 ASN 18 1HD2 ASN 18 -4.010 1.790 -7.465
117 2HD2 ASN 18 2HD2 ASN 18 -5.018 0.804 -8.639
118 H ALA 19 H ALA 19 -1.269 0.681 -3.858
119 HA ALA 19 HA ALA 19 -0.026 1.217 -6.562
120 1HB ALA 19 1HB ALA 19 1.543 2.722 -5.234
121 2HB ALA 19 2HB ALA 19 -0.129 3.093 -4.795
122 3HB ALA 19 HB3 ALA 19 0.884 2.118 -3.711
123 H LEU 20 H LEU 20 2.180 1.063 -6.832
124 HA LEU 20 HA LEU 20 2.347 -1.643 -7.261
125 1HB LEU 20 1HB LEU 20 2.997 0.205 -8.824
126 2HB LEU 20 2HB LEU 20 4.497 0.443 -7.972
127 HG LEU 20 HG LEU 20 4.619 -0.711 -10.173
128 1HD1 LEU 20 1HD2 LEU 20 6.493 -0.988 -8.544
129 2HD1 LEU 20 2HD2 LEU 20 6.332 -2.364 -9.653
130 3HD1 LEU 20 3HD2 LEU 20 5.779 -2.515 -7.974
131 1HD2 LEU 20 1HD1 LEU 20 3.305 -3.172 -8.870
132 2HD2 LEU 20 2HD1 LEU 20 2.553 -2.109 -10.085
133 3HD2 LEU 20 3HD1 LEU 20 3.981 -3.074 -10.513
134 H CYS 21 H CYS 21 4.742 0.215 -5.276
135 HA CYS 21 HA CYS 21 6.517 -1.948 -4.580
136 1HB CYS 21 1HB CYS 21 7.043 -0.430 -2.727
137 2HB CYS 21 2HB CYS 21 7.342 0.219 -4.335
138 H CYS 22 H CYS 22 3.742 -0.637 -2.699
139 HA CYS 22 HA CYS 22 3.969 -3.057 -0.824
140 1HB CYS 22 2HB CYS 22 3.010 -0.207 -0.210
141 2HB CYS 22 1HB CYS 22 2.819 -1.609 0.868
142 H ARG 23 H ARG 23 3.000 -3.801 -2.826
143 HA ARG 23 HA ARG 23 0.286 -3.248 -3.482
144 1HB ARG 23 1HB ARG 23 0.487 -4.999 -5.136
145 2HB ARG 23 2HB ARG 23 1.880 -3.962 -5.130
146 1HG ARG 23 2HG ARG 23 3.218 -5.760 -3.904
147 2HG ARG 23 1HG ARG 23 1.802 -6.779 -3.867
148 1HD ARG 23 1HD ARG 23 2.997 -7.651 -5.714
149 2HD ARG 23 2HD ARG 23 1.749 -6.686 -6.492
150 HE ARG 23 HE ARG 23 4.157 -5.029 -6.108
151 1HH1 ARG 23 2HH1 ARG 23 3.020 -7.744 -8.104
152 2HH1 ARG 23 1HH1 ARG 23 4.261 -7.334 -9.392
153 1HH2 ARG 23 1HH2 ARG 23 5.529 -4.657 -7.637
154 2HH2 ARG 23 2HH2 ARG 23 5.584 -5.704 -9.142
155 H LYS 24 H LYS 24 -0.098 -3.593 -1.045
156 HA LYS 24 HA LYS 24 -0.997 -6.337 -0.235
157 1HB LYS 24 2HB LYS 24 0.257 -4.573 1.208
158 2HB LYS 24 1HB LYS 24 -1.272 -3.717 1.304
159 1HG LYS 24 2HG LYS 24 -1.032 -5.013 3.344
160 2HG LYS 24 1HG LYS 24 -2.266 -5.868 2.441
161 1HD LYS 24 1HD LYS 24 -0.534 -7.531 1.648
162 2HD LYS 24 2HD LYS 24 0.726 -6.669 2.514
163 1HE LYS 24 2HE LYS 24 -1.752 -7.971 3.850
164 2HE LYS 24 1HE LYS 24 -0.186 -8.757 3.668
165 1HZ LYS 24 HZ1 LYS 24 0.816 -7.012 5.039
166 2HZ LYS 24 HZ2 LYS 24 -0.643 -6.260 5.222
167 3HZ LYS 24 HZ3 LYS 24 -0.407 -7.769 5.851
168 1HN NH2 25 1HN NH2 25 -2.813 -5.930 -2.293
169 2HN NH2 25 2HN NH2 25 -4.443 -5.444 -1.530
Start of MODEL 16
1 1H GLY 1 1H GLY 1 -2.921 13.332 -2.570
2 2H GLY 1 2H GLY 1 -2.211 11.877 -2.899
3 3H GLY 1 3H GLY 1 -1.472 13.280 -3.362
4 1HA GLY 1 1HA GLY 1 -1.137 13.939 -1.020
5 2HA GLY 1 2HA GLY 1 -1.953 12.480 -0.520
6 HA HYP 2 HA HYP 2 2.722 12.422 -0.533
7 1HB HYP 2 1HB HYP 2 2.501 10.952 2.053
8 2HB HYP 2 2HB HYP 2 3.453 12.416 1.721
9 1HD HYP 2 1HD HYP 2 -0.438 13.580 1.084
10 2HD HYP 2 2HD HYP 2 -0.607 11.899 1.522
11 HOD HYP 2 HOD HYP 2 2.579 14.323 2.499
12 HG HYP 2 HG HYP 2 1.151 12.747 3.209
13 HA HYP 3 HA HYP 3 3.675 8.196 -2.094
14 1HB HYP 3 1HB HYP 3 6.023 8.249 -0.172
15 2HB HYP 3 2HB HYP 3 6.032 7.850 -1.871
16 1HD HYP 3 1HD HYP 3 4.540 11.663 -1.369
17 2HD HYP 3 2HD HYP 3 5.143 11.045 0.180
18 HOD HYP 3 HOD HYP 3 6.532 9.586 -3.296
19 HG HYP 3 HG HYP 3 6.920 10.260 -1.149
20 H CYS 4 H CYS 4 2.986 6.493 -1.781
21 HA CYS 4 HA CYS 4 1.878 4.993 0.383
22 1HB CYS 4 1HB CYS 4 1.304 4.865 -1.965
23 2HB CYS 4 2HB CYS 4 2.846 4.419 -2.423
24 H CYS 5 H CYS 5 5.005 4.915 -1.086
25 HA CYS 5 HA CYS 5 6.154 3.347 1.139
26 1HB CYS 5 1HB CYS 5 7.245 3.045 -1.610
27 2HB CYS 5 2HB CYS 5 7.655 2.168 -0.151
28 H LEU 6 H LEU 6 7.550 4.676 1.766
29 HA LEU 6 HA LEU 6 8.787 6.970 0.352
30 1HB LEU 6 1HB LEU 6 6.914 7.604 2.096
31 2HB LEU 6 2HB LEU 6 8.162 7.179 3.205
32 HG LEU 6 HG LEU 6 8.079 9.522 1.448
33 1HD1 LEU 6 1HD1 LEU 6 8.515 9.300 4.453
34 2HD1 LEU 6 2HD1 LEU 6 8.345 10.812 3.524
35 3HD1 LEU 6 3HD1 LEU 6 6.962 9.693 3.655
36 1HD2 LEU 6 1HD2 LEU 6 10.528 8.622 3.021
37 2HD2 LEU 6 2HD2 LEU 6 10.436 8.774 1.242
38 3HD2 LEU 6 3HD2 LEU 6 10.356 10.230 2.268
39 H TYR 7 H TYR 7 10.952 6.960 0.846
40 HA TYR 7 HA TYR 7 12.872 5.789 0.709
41 1HB TYR 7 1HB TYR 7 12.140 5.148 3.500
42 2HB TYR 7 2HB TYR 7 13.697 5.134 2.765
43 HD1 TYR 7 1HD TYR 7 12.047 6.911 5.125
44 HD2 TYR 7 2HD TYR 7 13.892 7.809 1.334
45 HE1 TYR 7 1HE TYR 7 12.475 9.211 5.861
46 HE2 TYR 7 2HE TYR 7 14.298 10.103 2.091
47 HH TYR 7 HH TYR 7 13.291 11.194 5.325
48 H GLY 8 H GLY 8 11.061 4.175 -0.418
49 1HA GLY 8 1HA GLY 8 10.877 1.972 -1.305
50 2HA GLY 8 2HA GLY 8 12.154 1.368 -0.242
51 H SER 9 H SER 9 10.094 2.717 1.858
52 HA SER 9 HA SER 9 9.740 -0.113 2.695
53 1HB SER 9 2HB SER 9 10.878 1.710 4.071
54 2HB SER 9 1HB SER 9 9.355 2.288 4.607
55 HG SER 9 HG SER 9 8.862 0.147 5.295
56 H CYS 10 H CYS 10 7.414 0.933 4.680
57 HA CYS 10 HA CYS 10 5.209 1.311 2.659
58 1HB CYS 10 2HB CYS 10 5.188 -1.216 3.296
59 2HB CYS 10 1HB CYS 10 4.652 -0.666 4.907
60 H ARG 11 H ARG 11 3.704 2.557 3.304
61 HA ARG 11 HA ARG 11 3.522 3.853 6.026
62 1HB ARG 11 1HB ARG 11 5.404 4.778 4.783
63 2HB ARG 11 2HB ARG 11 4.320 5.237 3.460
64 1HG ARG 11 2HG ARG 11 3.177 6.865 4.780
65 2HG ARG 11 1HG ARG 11 3.809 6.246 6.300
66 1HD ARG 11 1HD ARG 11 5.569 7.641 4.160
67 2HD ARG 11 2HD ARG 11 4.824 8.468 5.523
68 HE ARG 11 HE ARG 11 6.574 6.046 6.130
69 1HH1 ARG 11 1HH1 ARG 11 6.210 9.581 6.335
70 2HH1 ARG 11 2HH1 ARG 11 7.632 9.674 7.492
71 1HH2 ARG 11 2HH2 ARG 11 8.210 6.283 7.413
72 2HH2 ARG 11 1HH2 ARG 11 8.685 7.933 8.059
73 HA HYP 12 HA HYP 12 -0.417 2.846 4.014
74 1HB HYP 12 1HB HYP 12 -2.246 3.064 6.117
75 2HB HYP 12 2HB HYP 12 -1.055 1.749 5.903
76 1HD HYP 12 1HD HYP 12 1.659 2.490 6.806
77 2HD HYP 12 2HD HYP 12 1.652 4.205 7.312
78 HOD HYP 12 HOD HYP 12 -0.091 1.496 7.930
79 HG HYP 12 HG HYP 12 -0.693 4.264 7.661
80 H PHE 13 H PHE 13 -1.657 3.837 2.730
81 HA PHE 13 HA PHE 13 -3.125 6.439 3.290
82 1HB PHE 13 1HB PHE 13 -1.136 6.059 0.916
83 2HB PHE 13 2HB PHE 13 -2.314 7.287 0.886
84 HD1 PHE 13 1HD PHE 13 0.988 6.610 1.870
85 HD2 PHE 13 2HD PHE 13 -2.433 8.971 2.876
86 HE1 PHE 13 1HE PHE 13 2.454 8.223 3.092
87 HE2 PHE 13 2HE PHE 13 -1.001 10.565 4.092
88 HZ PHE 13 HZ PHE 13 1.451 10.174 4.233
89 HA HYP 14 HA HYP 14 -6.122 4.676 0.559
90 1HB HYP 14 1HB HYP 14 -7.492 6.775 -0.250
91 2HB HYP 14 2HB HYP 14 -7.367 6.189 1.421
92 1HD HYP 14 1HD HYP 14 -4.112 8.037 1.877
93 2HD HYP 14 2HD HYP 14 -5.420 7.311 2.874
94 HOD HYP 14 HOD HYP 14 -7.713 9.046 1.180
95 HG HYP 14 HG HYP 14 -5.682 8.503 0.238
96 H GLY 15 H GLY 15 -5.855 3.935 -1.166
97 1HA GLY 15 1HA GLY 15 -5.103 3.248 -3.342
98 2HA GLY 15 2HA GLY 15 -4.587 4.890 -3.592
99 H CYS 16 H CYS 16 -3.195 3.584 -0.854
100 HA CYS 16 HA CYS 16 -0.516 3.209 -2.109
101 1HB CYS 16 1HB CYS 16 -0.426 4.296 -0.111
102 2HB CYS 16 2HB CYS 16 -1.424 3.101 0.795
103 H TYR 17 H TYR 17 -2.616 1.191 -0.227
104 HA TYR 17 HA TYR 17 -1.516 -1.486 -0.938
105 1HB TYR 17 2HB TYR 17 -3.813 -2.386 -0.340
106 2HB TYR 17 1HB TYR 17 -2.795 -1.742 0.887
107 HD1 TYR 17 1HD TYR 17 -3.510 0.054 2.342
108 HD2 TYR 17 2HD TYR 17 -5.817 -0.676 -1.233
109 HE1 TYR 17 1HE TYR 17 -5.171 1.675 3.076
110 HE2 TYR 17 2HE TYR 17 -7.470 0.959 -0.469
111 HH TYR 17 HH TYR 17 -7.060 2.733 2.588
112 H ASN 18 H ASN 18 -3.484 0.655 -2.848
113 HA ASN 18 HA ASN 18 -3.682 -1.356 -5.096
114 1HB ASN 18 1HB ASN 18 -5.483 0.366 -4.850
115 2HB ASN 18 2HB ASN 18 -4.309 1.573 -5.181
116 1HD2 ASN 18 1HD2 ASN 18 -3.931 1.778 -7.559
117 2HD2 ASN 18 2HD2 ASN 18 -5.009 0.837 -8.713
118 H ALA 19 H ALA 19 -1.282 0.809 -3.944
119 HA ALA 19 HA ALA 19 0.049 1.215 -6.649
120 1HB ALA 19 1HB ALA 19 1.549 2.849 -5.378
121 2HB ALA 19 2HB ALA 19 0.766 2.414 -3.854
122 3HB ALA 19 HB3 ALA 19 -0.152 3.265 -5.113
123 H LEU 20 H LEU 20 2.132 0.792 -6.971
124 HA LEU 20 HA LEU 20 2.153 -1.908 -6.828
125 1HB LEU 20 1HB LEU 20 2.991 -0.370 -8.683
126 2HB LEU 20 2HB LEU 20 4.532 -0.262 -7.881
127 HG LEU 20 HG LEU 20 4.463 -1.723 -9.857
128 1HD1 LEU 20 1HD2 LEU 20 5.159 -3.489 -7.444
129 2HD1 LEU 20 2HD2 LEU 20 6.195 -2.191 -8.090
130 3HD1 LEU 20 3HD2 LEU 20 5.792 -3.598 -9.097
131 1HD2 LEU 20 1HD1 LEU 20 2.644 -3.682 -8.329
132 2HD2 LEU 20 2HD1 LEU 20 2.142 -2.632 -9.678
133 3HD2 LEU 20 3HD1 LEU 20 3.338 -3.915 -9.951
134 H CYS 21 H CYS 21 4.690 0.038 -5.166
135 HA CYS 21 HA CYS 21 6.401 -2.098 -4.273
136 1HB CYS 21 1HB CYS 21 7.112 -0.406 -2.664
137 2HB CYS 21 2HB CYS 21 7.266 0.093 -4.331
138 H CYS 22 H CYS 22 3.516 -0.739 -2.727
139 HA CYS 22 HA CYS 22 3.734 -2.734 -0.436
140 1HB CYS 22 2HB CYS 22 4.089 -0.290 0.364
141 2HB CYS 22 1HB CYS 22 2.394 0.006 -0.066
142 H ARG 23 H ARG 23 2.513 -2.782 -3.140
143 HA ARG 23 HA ARG 23 -0.258 -3.332 -2.658
144 1HB ARG 23 2HB ARG 23 0.730 -3.097 -4.957
145 2HB ARG 23 1HB ARG 23 1.484 -4.675 -4.803
146 1HG ARG 23 2HG ARG 23 -0.816 -5.715 -4.560
147 2HG ARG 23 1HG ARG 23 -1.566 -4.140 -4.710
148 1HD ARG 23 1HD ARG 23 0.278 -5.344 -6.912
149 2HD ARG 23 2HD ARG 23 -1.447 -5.681 -6.849
150 HE ARG 23 HE ARG 23 -1.431 -2.867 -6.827
151 1HH1 ARG 23 2HH2 ARG 23 -0.119 -5.339 -9.021
152 2HH1 ARG 23 1HH2 ARG 23 -0.309 -4.198 -10.445
153 1HH2 ARG 23 2HH1 ARG 23 -1.551 -1.633 -8.517
154 2HH2 ARG 23 1HH1 ARG 23 -1.064 -2.246 -10.177
155 H LYS 24 H LYS 24 2.382 -5.784 -2.842
156 HA LYS 24 HA LYS 24 0.736 -7.678 -1.070
157 1HB LYS 24 1HB LYS 24 1.773 -8.328 -3.462
158 2HB LYS 24 2HB LYS 24 3.265 -8.490 -2.614
159 1HG LYS 24 1HG LYS 24 2.125 -10.175 -1.034
160 2HG LYS 24 2HG LYS 24 0.635 -9.985 -1.958
161 1HD LYS 24 1HD LYS 24 1.820 -10.807 -4.042
162 2HD LYS 24 2HD LYS 24 3.315 -10.992 -3.117
163 1HE LYS 24 2HE LYS 24 2.172 -12.690 -1.605
164 2HE LYS 24 1HE LYS 24 0.675 -12.506 -2.531
165 1HZ LYS 24 HZ1 LYS 24 1.954 -14.409 -3.288
166 2HZ LYS 24 HZ2 LYS 24 1.869 -13.298 -4.508
167 3HZ LYS 24 HZ3 LYS 24 3.267 -13.471 -3.643
168 1HN NH2 25 1HN NH2 25 3.561 -8.847 -0.562
169 2HN NH2 25 2HN NH2 25 4.425 -7.565 0.455
Start of MODEL 17
1 1H GLY 1 1H GLY 1 -1.386 13.105 -5.571
2 2H GLY 1 2H GLY 1 -0.069 14.005 -5.138
3 3H GLY 1 3H GLY 1 0.108 12.403 -5.501
4 1HA GLY 1 2HA GLY 1 -1.465 13.427 -3.166
5 2HA GLY 1 1HA GLY 1 -1.198 11.748 -3.538
6 HA HYP 2 HA HYP 2 2.179 12.414 -0.768
7 1HB HYP 2 1HB HYP 2 1.247 10.974 1.480
8 2HB HYP 2 2HB HYP 2 1.222 12.730 1.307
9 1HD HYP 2 1HD HYP 2 -1.794 11.747 -1.301
10 2HD HYP 2 2HD HYP 2 -1.334 13.333 -0.764
11 HOD HYP 2 HOD HYP 2 -2.223 12.677 1.478
12 HG HYP 2 HG HYP 2 -1.148 10.814 0.829
13 HA HYP 3 HA HYP 3 3.634 8.313 -2.107
14 1HB HYP 3 1HB HYP 3 5.606 8.441 0.206
15 2HB HYP 3 2HB HYP 3 5.947 8.214 -1.483
16 1HD HYP 3 1HD HYP 3 4.134 11.887 -0.988
17 2HD HYP 3 2HD HYP 3 4.333 11.105 0.586
18 HOD HYP 3 HOD HYP 3 5.064 10.288 -2.811
19 HG HYP 3 HG HYP 3 6.459 10.602 -0.351
20 H CYS 4 H CYS 4 2.973 6.579 -1.881
21 HA CYS 4 HA CYS 4 1.836 5.011 0.260
22 1HB CYS 4 1HB CYS 4 1.297 4.909 -2.111
23 2HB CYS 4 2HB CYS 4 2.861 4.506 -2.540
24 H CYS 5 H CYS 5 4.990 5.139 -1.182
25 HA CYS 5 HA CYS 5 6.139 3.366 0.919
26 1HB CYS 5 1HB CYS 5 7.201 3.337 -1.842
27 2HB CYS 5 2HB CYS 5 7.621 2.319 -0.481
28 H LEU 6 H LEU 6 7.466 4.593 1.727
29 HA LEU 6 HA LEU 6 8.771 7.068 0.686
30 1HB LEU 6 2HB LEU 6 7.086 7.636 2.327
31 2HB LEU 6 1HB LEU 6 7.904 6.668 3.525
32 HG LEU 6 HG LEU 6 9.747 8.193 3.448
33 1HD1 LEU 6 1HD2 LEU 6 9.653 10.446 2.241
34 2HD1 LEU 6 2HD2 LEU 6 8.156 9.913 1.431
35 3HD1 LEU 6 3HD2 LEU 6 9.706 9.096 1.093
36 1HD2 LEU 6 1HD1 LEU 6 8.774 10.145 4.531
37 2HD2 LEU 6 2HD1 LEU 6 7.155 9.659 3.918
38 3HD2 LEU 6 3HD1 LEU 6 8.051 8.609 5.065
39 H TYR 7 H TYR 7 10.926 6.767 0.713
40 HA TYR 7 HA TYR 7 12.814 5.614 0.583
41 1HB TYR 7 1HB TYR 7 12.270 5.246 3.458
42 2HB TYR 7 2HB TYR 7 13.740 4.918 2.616
43 HD1 TYR 7 1HD TYR 7 11.845 7.538 4.267
44 HD2 TYR 7 2HD TYR 7 14.965 6.939 1.357
45 HE1 TYR 7 1HE TYR 7 12.533 9.883 4.507
46 HE2 TYR 7 2HE TYR 7 15.643 9.285 1.622
47 HH TYR 7 HH TYR 7 13.937 11.466 3.858
48 H GLY 8 H GLY 8 11.049 3.991 -0.496
49 1HA GLY 8 1HA GLY 8 10.890 1.764 -1.307
50 2HA GLY 8 2HA GLY 8 12.017 1.157 -0.096
51 H SER 9 H SER 9 10.007 2.616 1.833
52 HA SER 9 HA SER 9 9.321 -0.179 2.596
53 1HB SER 9 2HB SER 9 10.664 1.490 4.009
54 2HB SER 9 1HB SER 9 9.187 2.174 4.583
55 HG SER 9 HG SER 9 8.536 0.058 5.194
56 H CYS 10 H CYS 10 7.236 0.726 4.655
57 HA CYS 10 HA CYS 10 4.780 0.812 2.809
58 1HB CYS 10 2HB CYS 10 5.231 -0.990 5.247
59 2HB CYS 10 1HB CYS 10 3.608 -0.496 4.754
60 H ARG 11 H ARG 11 3.722 2.583 3.099
61 HA ARG 11 HA ARG 11 3.764 4.162 5.702
62 1HB ARG 11 1HB ARG 11 5.542 4.780 4.085
63 2HB ARG 11 2HB ARG 11 4.269 5.205 2.927
64 1HG ARG 11 2HG ARG 11 4.961 7.218 3.804
65 2HG ARG 11 1HG ARG 11 3.403 6.909 4.548
66 1HD ARG 11 2HD ARG 11 5.077 7.905 6.176
67 2HD ARG 11 1HD ARG 11 4.486 6.343 6.742
68 HE ARG 11 HE ARG 11 6.847 5.665 5.334
69 1HH1 ARG 11 1HH1 ARG 11 6.105 7.771 8.101
70 2HH1 ARG 11 2HH1 ARG 11 7.777 7.473 8.797
71 1HH2 ARG 11 2HH2 ARG 11 8.736 5.425 6.196
72 2HH2 ARG 11 1HH2 ARG 11 9.166 6.232 7.787
73 HA HYP 12 HA HYP 12 -0.280 2.880 4.094
74 1HB HYP 12 1HB HYP 12 -1.933 3.090 6.336
75 2HB HYP 12 2HB HYP 12 -0.686 1.835 6.072
76 1HD HYP 12 1HD HYP 12 2.043 2.759 6.696
77 2HD HYP 12 2HD HYP 12 1.990 4.489 7.136
78 HOD HYP 12 HOD HYP 12 0.717 2.929 9.034
79 HG HYP 12 HG HYP 12 -0.325 4.442 7.691
80 H PHE 13 H PHE 13 -1.585 3.801 2.818
81 HA PHE 13 HA PHE 13 -3.163 6.332 3.377
82 1HB PHE 13 1HB PHE 13 -1.127 6.066 1.029
83 2HB PHE 13 2HB PHE 13 -2.365 7.238 0.985
84 HD1 PHE 13 1HD PHE 13 0.944 6.762 1.961
85 HD2 PHE 13 2HD PHE 13 -2.617 8.845 3.072
86 HE1 PHE 13 1HE PHE 13 2.313 8.447 3.215
87 HE2 PHE 13 2HE PHE 13 -1.285 10.515 4.302
88 HZ PHE 13 HZ PHE 13 1.191 10.303 4.398
89 HA HYP 14 HA HYP 14 -6.074 4.487 0.619
90 1HB HYP 14 1HB HYP 14 -7.538 6.537 -0.152
91 2HB HYP 14 2HB HYP 14 -7.381 5.934 1.510
92 1HD HYP 14 1HD HYP 14 -4.201 7.908 1.968
93 2HD HYP 14 2HD HYP 14 -5.471 7.119 2.968
94 HOD HYP 14 HOD HYP 14 -7.849 8.774 1.313
95 HG HYP 14 HG HYP 14 -5.804 8.332 0.351
96 H GLY 15 H GLY 15 -5.795 3.788 -1.117
97 1HA GLY 15 1HA GLY 15 -5.048 3.173 -3.318
98 2HA GLY 15 2HA GLY 15 -4.587 4.835 -3.535
99 H CYS 16 H CYS 16 -3.138 3.465 -0.836
100 HA CYS 16 HA CYS 16 -0.468 3.205 -2.146
101 1HB CYS 16 1HB CYS 16 -0.368 4.288 -0.144
102 2HB CYS 16 2HB CYS 16 -1.309 3.054 0.775
103 H TYR 17 H TYR 17 -2.381 1.110 -0.133
104 HA TYR 17 HA TYR 17 -1.383 -1.533 -1.059
105 1HB TYR 17 1HB TYR 17 -3.585 -2.467 -0.258
106 2HB TYR 17 2HB TYR 17 -2.484 -1.805 0.885
107 HD1 TYR 17 1HD TYR 17 -5.654 -0.750 -1.018
108 HD2 TYR 17 2HD TYR 17 -3.147 -0.070 2.428
109 HE1 TYR 17 1HE TYR 17 -7.266 0.863 -0.134
110 HE2 TYR 17 2HE TYR 17 -4.767 1.529 3.286
111 HH TYR 17 HH TYR 17 -7.743 2.306 1.478
112 H ASN 18 H ASN 18 -3.247 0.691 -2.853
113 HA ASN 18 HA ASN 18 -3.650 -1.364 -5.058
114 1HB ASN 18 1HB ASN 18 -5.507 0.229 -4.735
115 2HB ASN 18 2HB ASN 18 -4.437 1.527 -5.058
116 1HD2 ASN 18 1HD2 ASN 18 -3.969 1.698 -7.446
117 2HD2 ASN 18 2HD2 ASN 18 -5.103 0.829 -8.605
118 H ALA 19 H ALA 19 -1.305 0.883 -4.018
119 HA ALA 19 HA ALA 19 0.053 1.190 -6.727
120 1HB ALA 19 1HB ALA 19 -0.107 3.295 -5.228
121 2HB ALA 19 2HB ALA 19 0.779 2.442 -3.949
122 3HB ALA 19 HB3 ALA 19 1.584 2.823 -5.473
123 H LEU 20 H LEU 20 2.162 0.739 -6.983
124 HA LEU 20 HA LEU 20 2.168 -1.967 -6.792
125 1HB LEU 20 2HB LEU 20 3.251 -0.347 -8.559
126 2HB LEU 20 1HB LEU 20 4.744 -0.632 -7.706
127 HG LEU 20 HG LEU 20 2.929 -2.647 -9.175
128 1HD1 LEU 20 1HD2 LEU 20 5.836 -1.743 -9.636
129 2HD1 LEU 20 2HD2 LEU 20 4.406 -1.166 -10.538
130 3HD1 LEU 20 3HD2 LEU 20 4.910 -2.874 -10.668
131 1HD2 LEU 20 1HD1 LEU 20 3.794 -4.028 -7.337
132 2HD2 LEU 20 2HD1 LEU 20 5.454 -3.411 -7.563
133 3HD2 LEU 20 3HD1 LEU 20 4.690 -4.446 -8.797
134 H CYS 21 H CYS 21 4.687 0.078 -5.207
135 HA CYS 21 HA CYS 21 6.431 -1.989 -4.304
136 1HB CYS 21 1HB CYS 21 7.187 -0.160 -2.798
137 2HB CYS 21 2HB CYS 21 7.329 0.145 -4.520
138 H CYS 22 H CYS 22 3.567 -0.756 -2.703
139 HA CYS 22 HA CYS 22 3.912 -2.615 -0.400
140 1HB CYS 22 2HB CYS 22 4.445 -0.228 0.542
141 2HB CYS 22 1HB CYS 22 2.743 0.156 0.225
142 H ARG 23 H ARG 23 2.737 -2.861 -2.816
143 HA ARG 23 HA ARG 23 -0.068 -2.533 -2.734
144 1HB ARG 23 2HB ARG 23 1.359 -3.239 -4.799
145 2HB ARG 23 1HB ARG 23 1.083 -4.901 -4.317
146 1HG ARG 23 1HG ARG 23 -1.453 -4.400 -4.448
147 2HG ARG 23 2HG ARG 23 -1.043 -2.742 -4.888
148 1HD ARG 23 1HD ARG 23 0.310 -3.827 -6.909
149 2HD ARG 23 2HD ARG 23 -0.566 -5.309 -6.547
150 HE ARG 23 HE ARG 23 -1.686 -2.680 -7.575
151 1HH1 ARG 23 1HH1 ARG 23 -2.523 -5.938 -6.419
152 2HH1 ARG 23 2HH1 ARG 23 -4.221 -5.762 -7.093
153 1HH2 ARG 23 2HH2 ARG 23 -3.637 -2.605 -8.341
154 2HH2 ARG 23 1HH2 ARG 23 -4.807 -3.999 -8.108
155 H LYS 24 H LYS 24 1.611 -5.596 -2.023
156 HA LYS 24 HA LYS 24 -0.861 -6.680 -0.542
157 1HB LYS 24 1HB LYS 24 1.091 -7.952 -2.578
158 2HB LYS 24 2HB LYS 24 0.154 -8.920 -1.484
159 1HG LYS 24 1HG LYS 24 -1.981 -8.045 -2.319
160 2HG LYS 24 2HG LYS 24 -1.187 -6.889 -3.370
161 1HD LYS 24 1HD LYS 24 -0.768 -9.941 -3.685
162 2HD LYS 24 2HD LYS 24 -2.133 -9.092 -4.369
163 1HE LYS 24 2HE LYS 24 -0.610 -9.257 -6.165
164 2HE LYS 24 1HE LYS 24 -0.569 -7.565 -5.685
165 1HZ LYS 24 HZ1 LYS 24 1.460 -9.627 -4.948
166 2HZ LYS 24 HZ2 LYS 24 1.646 -8.443 -6.085
167 3HZ LYS 24 HZ3 LYS 24 1.522 -8.042 -4.487
168 1HN NH2 25 1HN NH2 25 1.126 -8.980 0.100
169 2HN NH2 25 2HN NH2 25 1.900 -8.304 1.669