NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
587827 |
2ml7   |
19808 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H1 CYS 1 2.532 -1.511 8.945
2 H2 CYS 1 H2 CYS 1 1.597 -0.426 9.763
3 H3 CYS 1 H3 CYS 1 3.205 -0.131 9.548
4 HA CYS 1 HA CYS 1 1.176 -0.268 7.453
5 HB2 CYS 1 HB3 CYS 1 1.561 2.123 7.198
6 HB3 CYS 1 HB2 CYS 1 1.018 1.745 8.841
7 H LYS 2 H LYS 2 1.884 -0.258 5.381
8 HA LYS 2 HA LYS 2 4.535 -1.210 4.860
9 HB2 LYS 2 HB3 LYS 2 2.665 0.061 2.840
10 HB3 LYS 2 HB2 LYS 2 3.935 -1.141 2.550
11 HG2 LYS 2 HG3 LYS 2 1.326 -1.574 4.028
12 HG3 LYS 2 HG2 LYS 2 1.781 -2.216 2.436
13 HD2 LYS 2 HD2 LYS 2 2.464 -4.044 3.542
14 HD3 LYS 2 HD3 LYS 2 3.859 -3.066 4.046
15 HE2 LYS 2 HE2 LYS 2 3.219 -3.332 6.168
16 HE3 LYS 2 HE3 LYS 2 1.754 -2.394 5.809
17 HZ1 LYS 2 HZ1 LYS 2 1.232 -4.540 6.732
18 HZ2 LYS 2 HZ2 LYS 2 0.676 -4.447 5.182
19 HZ3 LYS 2 HZ3 LYS 2 2.038 -5.314 5.519
20 H SER 3 H SER 3 6.327 -0.239 3.986
21 HA SER 3 HA SER 3 6.433 2.698 4.358
22 HB2 SER 3 HB2 SER 3 8.349 0.459 4.509
23 HB3 SER 3 HB3 SER 3 8.985 1.904 3.693
24 HG SER 3 HG SER 3 9.303 1.961 5.977
25 H GLY 4 H GLY 4 5.172 1.222 2.008
26 HA2 GLY 4 HA3 GLY 4 4.889 2.133 -0.166
27 HA3 GLY 4 HA2 GLY 4 6.478 2.912 -0.033
28 H GLY 5 H GLY 5 5.372 1.321 -2.236
29 HA2 GLY 5 HA3 GLY 5 6.022 -0.399 -3.640
30 HA3 GLY 5 HA2 GLY 5 7.647 -0.095 -2.996
31 H ALA 6 H ALA 6 5.032 -1.138 -0.914
32 HA ALA 6 HA ALA 6 6.441 -3.751 -0.621
33 HB1 ALA 6 HB1 ALA 6 5.437 -3.840 1.628
34 HB2 ALA 6 HB2 ALA 6 4.665 -2.263 1.339
35 HB3 ALA 6 HB3 ALA 6 6.439 -2.386 1.407
36 H TRP 7 H TRP 7 5.265 -5.671 -0.450
37 HA TRP 7 HA TRP 7 2.873 -5.716 -2.097
38 HB2 TRP 7 HB3 TRP 7 4.867 -7.515 -1.532
39 HB3 TRP 7 HB2 TRP 7 3.535 -8.134 -0.541
40 HD1 TRP 7 HD1 TRP 7 4.723 -7.933 -4.128
41 HE1 TRP 7 HE1 TRP 7 3.055 -9.140 -5.684
42 HE3 TRP 7 HE3 TRP 7 0.919 -8.620 -0.785
43 HZ2 TRP 7 HZ2 TRP 7 0.472 -10.232 -5.482
44 HZ3 TRP 7 HZ3 TRP 7 -1.127 -9.760 -1.543
45 HH2 TRP 7 HH2 TRP 7 -1.345 -10.557 -3.862
46 H CYS 8 H CYS 8 0.788 -5.897 -1.533
47 HA CYS 8 HA CYS 8 0.168 -6.274 1.362
48 HB2 CYS 8 HB2 CYS 8 -1.833 -4.627 0.588
49 HB3 CYS 8 HB3 CYS 8 -0.348 -4.079 1.383
50 H GLY 9 H GLY 9 -1.672 -5.741 -1.677
51 HA2 GLY 9 HA2 GLY 9 -3.191 -7.128 -2.743
52 HA3 GLY 9 HA3 GLY 9 -2.615 -8.475 -1.742
53 H PHE 10 H PHE 10 -3.533 -8.798 0.348
54 HA PHE 10 HA PHE 10 -6.321 -8.616 0.454
55 HB2 PHE 10 HB2 PHE 10 -6.053 -8.992 2.925
56 HB3 PHE 10 HB3 PHE 10 -5.189 -10.145 1.893
57 HD1 PHE 10 HD2 PHE 10 -4.818 -7.268 4.172
58 HD2 PHE 10 HD1 PHE 10 -2.787 -10.240 1.893
59 HE1 PHE 10 HE2 PHE 10 -2.728 -6.744 5.352
60 HE2 PHE 10 HE1 PHE 10 -0.697 -9.722 3.076
61 HZ PHE 10 HZ PHE 10 -0.664 -7.973 4.811
62 H ASP 11 H ASP 11 -3.884 -6.302 1.540
63 HA ASP 11 HA ASP 11 -6.095 -4.471 2.372
64 HB2 ASP 11 HB3 ASP 11 -4.134 -5.243 3.977
65 HB3 ASP 11 HB2 ASP 11 -3.226 -3.991 3.108
66 HA PRO 12 HA PRO 12 -4.454 -2.713 -1.541
67 HB2 PRO 12 HB3 PRO 12 -6.910 -1.771 -2.376
68 HB3 PRO 12 HB2 PRO 12 -6.348 -3.441 -2.685
69 HG2 PRO 12 HG2 PRO 12 -8.189 -2.396 -0.550
70 HG3 PRO 12 HG3 PRO 12 -8.324 -3.872 -1.548
71 HD2 PRO 12 HD2 PRO 12 -7.424 -3.924 1.019
72 HD3 PRO 12 HD3 PRO 12 -6.836 -5.056 -0.237
73 H HIS 13 H HIS 13 -5.891 -1.552 1.304
74 HA HIS 13 HA HIS 13 -5.165 1.245 0.553
75 HB2 HIS 13 HB2 HIS 13 -7.680 0.206 1.817
76 HB3 HIS 13 HB3 HIS 13 -7.075 1.804 2.288
77 HD1 HIS 13 HD1 HIS 13 -6.493 3.372 0.011
78 HD2 HIS 13 HD2 HIS 13 -9.358 0.344 -0.299
79 HE1 HIS 13 HE1 HIS 13 -7.907 3.942 -2.017
80 HE2 HIS 13 HE2 HIS 13 -9.644 2.096 -2.200
81 H GLY 14 H GLY 14 -3.870 -1.070 2.066
82 HA2 GLY 14 HA2 GLY 14 -3.671 0.207 4.744
83 HA3 GLY 14 HA3 GLY 14 -3.148 -1.439 4.335
84 H CYS 15 H CYS 15 -2.389 1.997 4.105
85 HA CYS 15 HA CYS 15 0.478 1.271 3.911
86 HB2 CYS 15 HB3 CYS 15 -0.838 3.302 2.078
87 HB3 CYS 15 HB2 CYS 15 0.887 2.907 2.152
88 H CYS 16 H CYS 16 1.878 2.746 4.825
89 HA CYS 16 HA CYS 16 0.903 4.292 6.976
90 HB2 CYS 16 HB3 CYS 16 3.412 3.564 5.919
91 HB3 CYS 16 HB2 CYS 16 3.409 5.334 5.967
92 H GLY 17 H GLY 17 2.203 5.440 3.825
93 HA2 GLY 17 HA2 GLY 17 1.120 8.118 4.403
94 HA3 GLY 17 HA3 GLY 17 2.133 7.660 3.020
95 H ASN 18 H ASN 18 0.638 8.925 1.739
96 HA ASN 18 HA ASN 18 -2.086 7.837 1.445
97 HB2 ASN 18 HB3 ASN 18 -0.786 10.029 -0.196
98 HB3 ASN 18 HB2 ASN 18 -2.516 9.711 0.038
99 HD21 ASN 18 HD22 ASN 18 0.469 10.796 1.646
100 HD22 ASN 18 HD21 ASN 18 -0.327 11.717 2.903
101 H CYS 19 H CYS 19 -0.409 5.841 0.843
102 HA CYS 19 HA CYS 19 -0.344 5.798 -2.145
103 HB2 CYS 19 HB3 CYS 19 1.226 3.981 -0.304
104 HB3 CYS 19 HB2 CYS 19 1.444 4.240 -2.042
105 H GLY 20 H GLY 20 -1.023 3.907 -3.229
106 HA2 GLY 20 HA3 GLY 20 -2.663 2.069 -1.536
107 HA3 GLY 20 HA2 GLY 20 -3.302 2.772 -3.035
108 H CYS 21 H CYS 21 -3.215 0.021 -2.586
109 HA CYS 21 HA CYS 21 -0.864 -0.998 -4.047
110 HB2 CYS 21 HB2 CYS 21 -3.288 -2.557 -3.131
111 HB3 CYS 21 HB3 CYS 21 -1.676 -3.178 -3.521
112 H LEU 22 H LEU 22 -1.796 0.564 -5.829
113 HA LEU 22 HA LEU 22 -4.039 -0.043 -7.368
114 HB2 LEU 22 HB2 LEU 22 -3.055 1.154 -9.107
115 HB3 LEU 22 HB3 LEU 22 -2.341 1.845 -7.646
116 HG LEU 22 HG LEU 22 -0.977 -0.242 -9.366
117 HD11 LEU 22 HD11 LEU 22 -1.396 1.812 -10.662
118 HD12 LEU 22 HD12 LEU 22 -0.616 2.772 -9.382
119 HD13 LEU 22 HD13 LEU 22 0.336 1.592 -10.314
120 HD21 LEU 22 HD21 LEU 22 1.029 0.981 -8.149
121 HD22 LEU 22 HD22 LEU 22 0.125 -0.326 -7.348
122 HD23 LEU 22 HD23 LEU 22 -0.232 1.373 -6.955
123 H VAL 23 H VAL 23 -0.988 -1.763 -7.139
124 HA VAL 23 HA VAL 23 -2.164 -3.917 -8.800
125 HB VAL 23 HB VAL 23 -0.654 -2.429 -10.231
126 HG11 VAL 23 HG11 VAL 23 1.066 -2.018 -8.517
127 HG12 VAL 23 HG12 VAL 23 1.498 -3.745 -8.544
128 HG13 VAL 23 HG13 VAL 23 1.759 -2.740 -9.989
129 HG21 VAL 23 HG21 VAL 23 -1.279 -4.736 -10.831
130 HG22 VAL 23 HG22 VAL 23 0.376 -4.342 -11.354
131 HG23 VAL 23 HG23 VAL 23 0.116 -5.348 -9.909
132 H GLY 24 H GLY 24 -1.414 -3.303 -5.895
133 HA2 GLY 24 HA3 GLY 24 -1.056 -5.182 -4.378
134 HA3 GLY 24 HA2 GLY 24 0.133 -5.826 -5.527
135 H PHE 25 H PHE 25 0.932 -2.786 -5.767
136 HA PHE 25 HA PHE 25 2.721 -2.857 -3.372
137 HB2 PHE 25 HB2 PHE 25 3.296 -1.587 -6.063
138 HB3 PHE 25 HB3 PHE 25 4.413 -1.744 -4.696
139 HD1 PHE 25 HD2 PHE 25 4.944 -4.170 -3.928
140 HD2 PHE 25 HD1 PHE 25 3.267 -3.209 -7.724
141 HE1 PHE 25 HE2 PHE 25 5.707 -6.331 -4.811
142 HE2 PHE 25 HE1 PHE 25 4.029 -5.369 -8.609
143 HZ PHE 25 HZ PHE 25 5.249 -6.937 -7.152
144 H CYS 26 H CYS 26 2.842 -1.114 -2.088
145 HA CYS 26 HA CYS 26 0.789 0.871 -2.226
146 HB2 CYS 26 HB3 CYS 26 3.291 0.518 -0.584
147 HB3 CYS 26 HB2 CYS 26 2.357 2.020 -0.485
148 H TYR 27 H TYR 27 0.661 2.352 -3.768
149 HA TYR 27 HA TYR 27 3.136 3.903 -4.391
150 HB2 TYR 27 HB3 TYR 27 3.034 3.099 -6.476
151 HB3 TYR 27 HB2 TYR 27 1.467 2.329 -6.173
152 HD1 TYR 27 HD1 TYR 27 3.001 5.637 -7.012
153 HD2 TYR 27 HD2 TYR 27 -0.477 3.181 -7.180
154 HE1 TYR 27 HE1 TYR 27 1.898 7.299 -8.443
155 HE2 TYR 27 HE2 TYR 27 -1.579 4.836 -8.618
156 HH TYR 27 HH TYR 27 -1.324 7.411 -8.991
157 H GLY 28 H GLY 28 2.912 5.934 -3.771
158 HA2 GLY 28 HA2 GLY 28 0.419 7.352 -4.421
159 HA3 GLY 28 HA3 GLY 28 0.799 7.220 -2.693
160 H THR 29 H THR 29 1.422 9.186 -2.065
161 HA THR 29 HA THR 29 3.834 10.318 -3.316
162 HB THR 29 HB THR 29 1.456 12.151 -2.935
163 HG1 THR 29 HG1 THR 29 2.220 10.812 -5.341
164 HG21 THR 29 HG21 THR 29 2.718 13.569 -4.505
165 HG22 THR 29 HG22 THR 29 3.690 13.165 -3.069
166 HG23 THR 29 HG23 THR 29 3.986 12.324 -4.610
167 H GLY 30 H GLY 30 3.089 9.082 -0.743
168 HA2 GLY 30 HA3 GLY 30 4.008 11.343 0.959
169 HA3 GLY 30 HA2 GLY 30 2.584 10.409 1.460
170 H CYS 31 H CYS 31 3.143 7.861 1.070
171 HA CYS 31 HA CYS 31 4.775 7.128 3.218
172 HB2 CYS 31 HB2 CYS 31 4.758 4.866 2.276
173 HB3 CYS 31 HB3 CYS 31 3.154 5.614 2.202
Start of MODEL 2
1 H1 CYS 1 H1 CYS 1 2.771 -1.557 8.830
2 H2 CYS 1 H2 CYS 1 1.820 -0.521 9.692
3 H3 CYS 1 H3 CYS 1 3.411 -0.165 9.440
4 HA CYS 1 HA CYS 1 1.331 -0.337 7.397
5 HB2 CYS 1 HB2 CYS 1 1.647 2.071 7.171
6 HB3 CYS 1 HB3 CYS 1 1.126 1.652 8.811
7 H LYS 2 H LYS 2 1.980 -0.269 5.309
8 HA LYS 2 HA LYS 2 4.678 -1.077 4.721
9 HB2 LYS 2 HB3 LYS 2 2.699 0.026 2.716
10 HB3 LYS 2 HB2 LYS 2 3.997 -1.153 2.456
11 HG2 LYS 2 HG2 LYS 2 1.423 -1.584 3.988
12 HG3 LYS 2 HG3 LYS 2 1.878 -2.298 2.427
13 HD2 LYS 2 HD2 LYS 2 2.669 -4.039 3.593
14 HD3 LYS 2 HD3 LYS 2 3.993 -2.973 4.110
15 HE2 LYS 2 HE3 LYS 2 3.292 -3.225 6.220
16 HE3 LYS 2 HE2 LYS 2 1.814 -2.345 5.782
17 HZ1 LYS 2 HZ1 LYS 2 1.322 -4.479 6.745
18 HZ2 LYS 2 HZ2 LYS 2 2.188 -5.260 5.579
19 HZ3 LYS 2 HZ3 LYS 2 0.816 -4.438 5.176
20 H SER 3 H SER 3 6.438 0.089 4.389
21 HA SER 3 HA SER 3 6.343 2.977 4.561
22 HB2 SER 3 HB2 SER 3 8.323 0.904 4.745
23 HB3 SER 3 HB3 SER 3 8.876 2.117 3.571
24 HG SER 3 HG SER 3 9.469 2.643 5.738
25 H GLY 4 H GLY 4 5.905 0.773 2.012
26 HA2 GLY 4 HA2 GLY 4 5.104 2.098 -0.031
27 HA3 GLY 4 HA3 GLY 4 6.712 2.846 0.018
28 H GLY 5 H GLY 5 5.471 1.315 -2.140
29 HA2 GLY 5 HA2 GLY 5 5.999 -0.399 -3.595
30 HA3 GLY 5 HA3 GLY 5 7.663 -0.168 -3.024
31 H ALA 6 H ALA 6 5.128 -1.131 -0.814
32 HA ALA 6 HA ALA 6 6.461 -3.783 -0.585
33 HB1 ALA 6 HB1 ALA 6 6.224 -3.607 1.636
34 HB2 ALA 6 HB2 ALA 6 5.806 -1.901 1.347
35 HB3 ALA 6 HB3 ALA 6 4.517 -3.119 1.495
36 H TRP 7 H TRP 7 5.238 -5.690 -0.380
37 HA TRP 7 HA TRP 7 2.869 -5.695 -2.077
38 HB2 TRP 7 HB2 TRP 7 4.844 -7.512 -1.533
39 HB3 TRP 7 HB3 TRP 7 3.511 -8.144 -0.552
40 HD1 TRP 7 HD1 TRP 7 4.710 -7.866 -4.136
41 HE1 TRP 7 HE1 TRP 7 3.049 -9.046 -5.721
42 HE3 TRP 7 HE3 TRP 7 0.899 -8.640 -0.818
43 HZ2 TRP 7 HZ2 TRP 7 0.470 -10.151 -5.551
44 HZ3 TRP 7 HZ3 TRP 7 -1.142 -9.767 -1.607
45 HH2 TRP 7 HH2 TRP 7 -1.351 -10.517 -3.943
46 H CYS 8 H CYS 8 0.776 -5.900 -1.528
47 HA CYS 8 HA CYS 8 0.143 -6.286 1.362
48 HB2 CYS 8 HB3 CYS 8 -1.862 -4.637 0.585
49 HB3 CYS 8 HB2 CYS 8 -0.377 -4.097 1.385
50 H GLY 9 H GLY 9 -1.716 -5.730 -1.659
51 HA2 GLY 9 HA2 GLY 9 -3.208 -7.135 -2.746
52 HA3 GLY 9 HA3 GLY 9 -2.636 -8.478 -1.737
53 H PHE 10 H PHE 10 -3.560 -8.781 0.359
54 HA PHE 10 HA PHE 10 -6.352 -8.611 0.442
55 HB2 PHE 10 HB2 PHE 10 -6.149 -9.069 2.860
56 HB3 PHE 10 HB3 PHE 10 -5.108 -10.118 1.881
57 HD1 PHE 10 HD2 PHE 10 -5.191 -7.337 4.281
58 HD2 PHE 10 HD1 PHE 10 -2.695 -9.916 1.989
59 HE1 PHE 10 HE2 PHE 10 -3.251 -6.645 5.620
60 HE2 PHE 10 HE1 PHE 10 -0.753 -9.227 3.327
61 HZ PHE 10 HZ PHE 10 -1.028 -7.594 5.149
62 H ASP 11 H ASP 11 -3.924 -6.302 1.573
63 HA ASP 11 HA ASP 11 -6.143 -4.468 2.372
64 HB2 ASP 11 HB2 ASP 11 -3.510 -5.080 3.516
65 HB3 ASP 11 HB3 ASP 11 -3.796 -3.340 3.316
66 HA PRO 12 HA PRO 12 -4.480 -2.713 -1.535
67 HB2 PRO 12 HB3 PRO 12 -6.933 -1.784 -2.392
68 HB3 PRO 12 HB2 PRO 12 -6.362 -3.451 -2.693
69 HG2 PRO 12 HG2 PRO 12 -8.225 -2.411 -0.575
70 HG3 PRO 12 HG3 PRO 12 -8.345 -3.889 -1.570
71 HD2 PRO 12 HD2 PRO 12 -7.466 -3.929 1.005
72 HD3 PRO 12 HD3 PRO 12 -6.864 -5.064 -0.243
73 H HIS 13 H HIS 13 -5.981 -1.547 1.286
74 HA HIS 13 HA HIS 13 -5.271 1.252 0.524
75 HB2 HIS 13 HB3 HIS 13 -7.524 0.583 2.423
76 HB3 HIS 13 HB2 HIS 13 -7.166 2.121 1.619
77 HD1 HIS 13 HD1 HIS 13 -9.833 0.139 1.515
78 HD2 HIS 13 HD2 HIS 13 -7.050 0.989 -1.485
79 HE1 HIS 13 HE1 HIS 13 -11.003 -0.329 -0.686
80 HE2 HIS 13 HE2 HIS 13 -9.307 0.194 -2.505
81 H GLY 14 H GLY 14 -3.971 -1.078 2.059
82 HA2 GLY 14 HA3 GLY 14 -3.722 0.232 4.716
83 HA3 GLY 14 HA2 GLY 14 -3.207 -1.416 4.307
84 H CYS 15 H CYS 15 -2.419 2.006 4.115
85 HA CYS 15 HA CYS 15 0.433 1.258 3.839
86 HB2 CYS 15 HB2 CYS 15 -0.927 3.287 2.043
87 HB3 CYS 15 HB3 CYS 15 0.808 2.935 2.087
88 H CYS 16 H CYS 16 1.850 2.674 4.786
89 HA CYS 16 HA CYS 16 0.938 4.223 6.949
90 HB2 CYS 16 HB2 CYS 16 3.405 3.466 5.866
91 HB3 CYS 16 HB3 CYS 16 3.441 5.236 5.855
92 H GLY 17 H GLY 17 2.208 5.417 3.802
93 HA2 GLY 17 HA2 GLY 17 1.117 8.081 4.427
94 HA3 GLY 17 HA3 GLY 17 2.127 7.649 3.034
95 H ASN 18 H ASN 18 0.645 8.907 1.752
96 HA ASN 18 HA ASN 18 -2.089 7.841 1.465
97 HB2 ASN 18 HB2 ASN 18 -0.778 10.023 -0.175
98 HB3 ASN 18 HB3 ASN 18 -2.511 9.725 0.062
99 HD21 ASN 18 HD21 ASN 18 0.497 10.785 1.643
100 HD22 ASN 18 HD22 ASN 18 -0.275 11.711 2.910
101 H CYS 19 H CYS 19 -0.418 5.839 0.854
102 HA CYS 19 HA CYS 19 -0.365 5.801 -2.135
103 HB2 CYS 19 HB2 CYS 19 1.195 3.980 -0.292
104 HB3 CYS 19 HB3 CYS 19 1.417 4.219 -2.033
105 H GLY 20 H GLY 20 -0.994 3.864 -3.210
106 HA2 GLY 20 HA3 GLY 20 -2.663 2.049 -1.522
107 HA3 GLY 20 HA2 GLY 20 -3.303 2.756 -3.019
108 H CYS 21 H CYS 21 -3.224 0.006 -2.575
109 HA CYS 21 HA CYS 21 -0.878 -1.020 -4.036
110 HB2 CYS 21 HB2 CYS 21 -3.310 -2.571 -3.129
111 HB3 CYS 21 HB3 CYS 21 -1.699 -3.198 -3.514
112 H LEU 22 H LEU 22 -1.801 0.552 -5.816
113 HA LEU 22 HA LEU 22 -4.040 -0.044 -7.362
114 HB2 LEU 22 HB2 LEU 22 -3.041 1.143 -9.104
115 HB3 LEU 22 HB3 LEU 22 -2.347 1.842 -7.636
116 HG LEU 22 HG LEU 22 -0.955 -0.244 -9.332
117 HD11 LEU 22 HD11 LEU 22 -1.365 1.803 -10.639
118 HD12 LEU 22 HD12 LEU 22 -0.604 2.770 -9.353
119 HD13 LEU 22 HD13 LEU 22 0.363 1.590 -10.269
120 HD21 LEU 22 HD21 LEU 22 1.030 0.996 -8.093
121 HD22 LEU 22 HD22 LEU 22 0.127 -0.319 -7.303
122 HD23 LEU 22 HD23 LEU 22 -0.248 1.377 -6.914
123 H VAL 23 H VAL 23 -0.994 -1.774 -7.132
124 HA VAL 23 HA VAL 23 -2.178 -3.931 -8.781
125 HB VAL 23 HB VAL 23 -0.698 -2.438 -10.239
126 HG11 VAL 23 HG11 VAL 23 1.049 -2.019 -8.553
127 HG12 VAL 23 HG12 VAL 23 1.720 -2.739 -10.036
128 HG13 VAL 23 HG13 VAL 23 1.487 -3.744 -8.586
129 HG21 VAL 23 HG21 VAL 23 -1.323 -4.748 -10.826
130 HG22 VAL 23 HG22 VAL 23 0.088 -5.354 -9.926
131 HG23 VAL 23 HG23 VAL 23 0.322 -4.349 -11.376
132 H GLY 24 H GLY 24 -1.451 -3.356 -5.892
133 HA2 GLY 24 HA3 GLY 24 -1.043 -5.228 -4.388
134 HA3 GLY 24 HA2 GLY 24 0.152 -5.845 -5.544
135 H PHE 25 H PHE 25 0.944 -2.824 -5.798
136 HA PHE 25 HA PHE 25 2.719 -2.866 -3.392
137 HB2 PHE 25 HB2 PHE 25 3.289 -1.585 -6.079
138 HB3 PHE 25 HB3 PHE 25 4.407 -1.752 -4.714
139 HD1 PHE 25 HD2 PHE 25 4.973 -4.168 -3.975
140 HD2 PHE 25 HD1 PHE 25 3.227 -3.213 -7.741
141 HE1 PHE 25 HE2 PHE 25 5.742 -6.320 -4.877
142 HE2 PHE 25 HE1 PHE 25 3.989 -5.366 -8.644
143 HZ PHE 25 HZ PHE 25 5.245 -6.927 -7.211
144 H CYS 26 H CYS 26 2.825 -1.117 -2.113
145 HA CYS 26 HA CYS 26 0.757 0.855 -2.272
146 HB2 CYS 26 HB3 CYS 26 3.235 0.504 -0.596
147 HB3 CYS 26 HB2 CYS 26 2.307 2.010 -0.513
148 H TYR 27 H TYR 27 0.634 2.368 -3.777
149 HA TYR 27 HA TYR 27 3.118 3.909 -4.391
150 HB2 TYR 27 HB2 TYR 27 3.022 3.147 -6.483
151 HB3 TYR 27 HB3 TYR 27 1.470 2.342 -6.192
152 HD1 TYR 27 HD1 TYR 27 2.971 5.667 -7.014
153 HD2 TYR 27 HD2 TYR 27 -0.500 3.200 -7.171
154 HE1 TYR 27 HE1 TYR 27 1.854 7.331 -8.433
155 HE2 TYR 27 HE2 TYR 27 -1.618 4.862 -8.592
156 HH TYR 27 HH TYR 27 -1.371 7.437 -8.956
157 H GLY 28 H GLY 28 2.903 5.938 -3.765
158 HA2 GLY 28 HA3 GLY 28 0.408 7.370 -4.396
159 HA3 GLY 28 HA2 GLY 28 0.805 7.225 -2.672
160 H THR 29 H THR 29 1.431 9.180 -2.031
161 HA THR 29 HA THR 29 3.843 10.314 -3.281
162 HB THR 29 HB THR 29 1.475 12.152 -2.875
163 HG1 THR 29 HG1 THR 29 0.928 10.542 -4.461
164 HG21 THR 29 HG21 THR 29 2.736 13.579 -4.440
165 HG22 THR 29 HG22 THR 29 3.712 13.159 -3.013
166 HG23 THR 29 HG23 THR 29 3.998 12.329 -4.561
167 H GLY 30 H GLY 30 3.096 9.059 -0.714
168 HA2 GLY 30 HA3 GLY 30 4.032 11.299 1.002
169 HA3 GLY 30 HA2 GLY 30 2.604 10.369 1.498
170 H CYS 31 H CYS 31 3.153 7.820 1.081
171 HA CYS 31 HA CYS 31 4.777 7.056 3.220
172 HB2 CYS 31 HB2 CYS 31 4.769 4.807 2.237
173 HB3 CYS 31 HB3 CYS 31 3.163 5.553 2.186
Start of MODEL 3
1 H1 CYS 1 H1 CYS 1 2.834 -1.367 9.790
2 H2 CYS 1 H2 CYS 1 3.207 0.220 10.035
3 H3 CYS 1 H3 CYS 1 1.655 -0.302 10.231
4 HA CYS 1 HA CYS 1 1.454 -0.819 7.944
5 HB2 CYS 1 HB2 CYS 1 1.746 1.547 7.063
6 HB3 CYS 1 HB3 CYS 1 0.695 1.349 8.475
7 H LYS 2 H LYS 2 2.334 -0.528 5.781
8 HA LYS 2 HA LYS 2 5.014 -1.551 5.607
9 HB2 LYS 2 HB2 LYS 2 3.438 -0.294 3.352
10 HB3 LYS 2 HB3 LYS 2 4.693 -1.540 3.246
11 HG2 LYS 2 HG2 LYS 2 1.913 -1.846 4.416
12 HG3 LYS 2 HG3 LYS 2 2.509 -2.533 2.891
13 HD2 LYS 2 HD3 LYS 2 3.083 -4.362 4.047
14 HD3 LYS 2 HD2 LYS 2 4.349 -3.385 4.820
15 HE2 LYS 2 HE3 LYS 2 2.038 -2.708 6.221
16 HE3 LYS 2 HE2 LYS 2 1.866 -4.451 5.929
17 HZ1 LYS 2 HZ1 LYS 2 3.040 -4.004 7.965
18 HZ2 LYS 2 HZ2 LYS 2 4.201 -3.149 7.165
19 HZ3 LYS 2 HZ3 LYS 2 4.036 -4.768 6.895
20 H SER 3 H SER 3 6.214 -0.299 3.507
21 HA SER 3 HA SER 3 6.667 2.485 4.492
22 HB2 SER 3 HB3 SER 3 8.570 0.231 4.263
23 HB3 SER 3 HB2 SER 3 9.128 1.753 3.536
24 HG SER 3 HG SER 3 9.663 1.591 5.775
25 H GLY 4 H GLY 4 5.171 1.157 2.175
26 HA2 GLY 4 HA2 GLY 4 4.676 2.134 0.091
27 HA3 GLY 4 HA3 GLY 4 6.207 3.030 0.151
28 H GLY 5 H GLY 5 5.059 1.536 -2.077
29 HA2 GLY 5 HA3 GLY 5 5.714 -0.015 -3.664
30 HA3 GLY 5 HA2 GLY 5 7.359 0.323 -3.091
31 H ALA 6 H ALA 6 4.987 -1.004 -0.904
32 HA ALA 6 HA ALA 6 6.507 -3.570 -0.961
33 HB1 ALA 6 HB1 ALA 6 5.711 -3.886 1.352
34 HB2 ALA 6 HB2 ALA 6 4.857 -2.327 1.264
35 HB3 ALA 6 HB3 ALA 6 6.634 -2.375 1.169
36 H TRP 7 H TRP 7 5.341 -5.549 -0.588
37 HA TRP 7 HA TRP 7 2.905 -5.636 -2.180
38 HB2 TRP 7 HB2 TRP 7 4.927 -7.398 -1.702
39 HB3 TRP 7 HB3 TRP 7 3.680 -8.026 -0.610
40 HD1 TRP 7 HD1 TRP 7 4.681 -7.963 -4.238
41 HE1 TRP 7 HE1 TRP 7 2.928 -9.190 -5.682
42 HE3 TRP 7 HE3 TRP 7 0.991 -8.430 -0.733
43 HZ2 TRP 7 HZ2 TRP 7 0.333 -10.213 -5.343
44 HZ3 TRP 7 HZ3 TRP 7 -1.107 -9.548 -1.369
45 HH2 TRP 7 HH2 TRP 7 -1.432 -10.429 -3.644
46 H CYS 8 H CYS 8 0.844 -5.771 -1.544
47 HA CYS 8 HA CYS 8 0.318 -6.156 1.369
48 HB2 CYS 8 HB3 CYS 8 -1.718 -4.499 0.573
49 HB3 CYS 8 HB2 CYS 8 -0.261 -3.995 1.446
50 H GLY 9 H GLY 9 -1.737 -5.547 -1.504
51 HA2 GLY 9 HA3 GLY 9 -3.209 -7.014 -2.576
52 HA3 GLY 9 HA2 GLY 9 -2.659 -8.319 -1.508
53 H PHE 10 H PHE 10 -3.462 -8.329 0.721
54 HA PHE 10 HA PHE 10 -6.279 -8.179 0.812
55 HB2 PHE 10 HB3 PHE 10 -6.067 -8.554 3.208
56 HB3 PHE 10 HB2 PHE 10 -4.917 -9.566 2.317
57 HD1 PHE 10 HD2 PHE 10 -5.277 -6.702 4.586
58 HD2 PHE 10 HD1 PHE 10 -2.532 -9.172 2.463
59 HE1 PHE 10 HE2 PHE 10 -3.432 -5.809 5.937
60 HE2 PHE 10 HE1 PHE 10 -0.684 -8.283 3.815
61 HZ PHE 10 HZ PHE 10 -1.130 -6.600 5.558
62 H ASP 11 H ASP 11 -3.811 -5.810 1.677
63 HA ASP 11 HA ASP 11 -5.997 -3.898 2.388
64 HB2 ASP 11 HB3 ASP 11 -3.284 -4.387 3.481
65 HB3 ASP 11 HB2 ASP 11 -3.725 -2.682 3.264
66 HA PRO 12 HA PRO 12 -4.267 -2.503 -1.660
67 HB2 PRO 12 HB3 PRO 12 -6.721 -1.791 -2.699
68 HB3 PRO 12 HB2 PRO 12 -6.056 -3.447 -2.813
69 HG2 PRO 12 HG2 PRO 12 -8.061 -2.310 -0.882
70 HG3 PRO 12 HG3 PRO 12 -8.064 -3.880 -1.734
71 HD2 PRO 12 HD2 PRO 12 -7.300 -3.631 0.866
72 HD3 PRO 12 HD3 PRO 12 -6.588 -4.844 -0.242
73 H HIS 13 H HIS 13 -5.875 -1.158 0.996
74 HA HIS 13 HA HIS 13 -5.180 1.579 0.061
75 HB2 HIS 13 HB2 HIS 13 -7.231 2.515 0.822
76 HB3 HIS 13 HB3 HIS 13 -7.642 1.163 -0.248
77 HD1 HIS 13 HD1 HIS 13 -8.241 2.509 3.103
78 HD2 HIS 13 HD2 HIS 13 -8.454 -1.231 1.252
79 HE1 HIS 13 HE1 HIS 13 -9.648 1.046 4.627
80 HE2 HIS 13 HE2 HIS 13 -9.768 -1.227 3.496
81 H GLY 14 H GLY 14 -4.028 -0.499 1.926
82 HA2 GLY 14 HA3 GLY 14 -4.072 1.211 4.380
83 HA3 GLY 14 HA2 GLY 14 -3.953 -0.559 4.431
84 H CYS 15 H CYS 15 -2.236 2.296 4.579
85 HA CYS 15 HA CYS 15 0.299 0.865 4.556
86 HB2 CYS 15 HB2 CYS 15 -0.587 2.306 2.187
87 HB3 CYS 15 HB3 CYS 15 0.910 2.993 2.838
88 H CYS 16 H CYS 16 2.150 2.635 4.720
89 HA CYS 16 HA CYS 16 1.517 4.143 7.107
90 HB2 CYS 16 HB2 CYS 16 3.887 3.407 5.563
91 HB3 CYS 16 HB3 CYS 16 3.974 5.067 6.175
92 H GLY 17 H GLY 17 1.517 4.819 3.698
93 HA2 GLY 17 HA2 GLY 17 0.951 7.674 4.364
94 HA3 GLY 17 HA3 GLY 17 2.000 7.238 3.001
95 H ASN 18 H ASN 18 0.464 8.526 1.749
96 HA ASN 18 HA ASN 18 -2.206 7.336 1.369
97 HB2 ASN 18 HB2 ASN 18 -0.939 9.665 -0.104
98 HB3 ASN 18 HB3 ASN 18 -2.661 9.240 -0.038
99 HD21 ASN 18 HD22 ASN 18 0.120 10.371 1.883
100 HD22 ASN 18 HD21 ASN 18 -0.824 11.186 3.110
101 H CYS 19 H CYS 19 -0.353 5.473 0.720
102 HA CYS 19 HA CYS 19 -0.299 5.529 -2.267
103 HB2 CYS 19 HB2 CYS 19 1.387 3.746 -0.507
104 HB3 CYS 19 HB3 CYS 19 1.613 4.129 -2.222
105 H GLY 20 H GLY 20 -1.520 4.123 -3.335
106 HA2 GLY 20 HA3 GLY 20 -2.813 1.967 -1.734
107 HA3 GLY 20 HA2 GLY 20 -3.451 2.672 -3.232
108 H CYS 21 H CYS 21 -3.157 -0.115 -2.685
109 HA CYS 21 HA CYS 21 -0.798 -0.982 -4.218
110 HB2 CYS 21 HB3 CYS 21 -3.081 -2.711 -3.240
111 HB3 CYS 21 HB2 CYS 21 -1.426 -3.197 -3.643
112 H LEU 22 H LEU 22 -1.769 0.435 -6.036
113 HA LEU 22 HA LEU 22 -4.036 -0.261 -7.508
114 HB2 LEU 22 HB3 LEU 22 -3.097 0.896 -9.311
115 HB3 LEU 22 HB2 LEU 22 -2.381 1.639 -7.877
116 HG LEU 22 HG LEU 22 -0.975 -0.470 -9.521
117 HD11 LEU 22 HD11 LEU 22 -1.459 1.507 -10.909
118 HD12 LEU 22 HD12 LEU 22 -0.708 2.549 -9.678
119 HD13 LEU 22 HD13 LEU 22 0.279 1.357 -10.557
120 HD21 LEU 22 HD21 LEU 22 0.993 0.880 -8.365
121 HD22 LEU 22 HD22 LEU 22 0.142 -0.428 -7.510
122 HD23 LEU 22 HD23 LEU 22 -0.280 1.270 -7.184
123 H VAL 23 H VAL 23 -0.945 -1.914 -7.287
124 HA VAL 23 HA VAL 23 -2.118 -4.167 -8.802
125 HB VAL 23 HB VAL 23 -0.752 -2.700 -10.387
126 HG11 VAL 23 HG11 VAL 23 1.045 -2.143 -8.799
127 HG12 VAL 23 HG12 VAL 23 1.680 -2.906 -10.276
128 HG13 VAL 23 HG13 VAL 23 1.546 -3.851 -8.774
129 HG21 VAL 23 HG21 VAL 23 -1.319 -5.053 -10.841
130 HG22 VAL 23 HG22 VAL 23 0.285 -4.623 -11.481
131 HG23 VAL 23 HG23 VAL 23 0.150 -5.569 -9.979
132 H GLY 24 H GLY 24 -1.346 -3.492 -5.974
133 HA2 GLY 24 HA2 GLY 24 -0.811 -5.319 -4.448
134 HA3 GLY 24 HA3 GLY 24 0.426 -5.866 -5.597
135 H PHE 25 H PHE 25 1.199 -2.954 -6.021
136 HA PHE 25 HA PHE 25 2.897 -2.772 -3.576
137 HB2 PHE 25 HB2 PHE 25 3.374 -1.413 -6.236
138 HB3 PHE 25 HB3 PHE 25 4.520 -1.630 -4.902
139 HD1 PHE 25 HD1 PHE 25 5.017 -4.137 -4.267
140 HD2 PHE 25 HD2 PHE 25 3.445 -2.882 -8.021
141 HE1 PHE 25 HE1 PHE 25 5.804 -6.225 -5.292
142 HE2 PHE 25 HE2 PHE 25 4.229 -4.971 -9.048
143 HZ PHE 25 HZ PHE 25 5.414 -6.646 -7.686
144 H CYS 26 H CYS 26 2.739 -1.091 -2.246
145 HA CYS 26 HA CYS 26 0.594 0.785 -2.518
146 HB2 CYS 26 HB3 CYS 26 2.820 0.282 -0.618
147 HB3 CYS 26 HB2 CYS 26 2.210 1.944 -0.667
148 H TYR 27 H TYR 27 0.551 2.240 -4.101
149 HA TYR 27 HA TYR 27 3.007 3.902 -4.493
150 HB2 TYR 27 HB2 TYR 27 2.987 3.286 -6.630
151 HB3 TYR 27 HB3 TYR 27 1.500 2.349 -6.395
152 HD1 TYR 27 HD1 TYR 27 2.781 5.772 -7.150
153 HD2 TYR 27 HD2 TYR 27 -0.559 3.129 -7.283
154 HE1 TYR 27 HE1 TYR 27 1.552 7.394 -8.522
155 HE2 TYR 27 HE2 TYR 27 -1.788 4.748 -8.660
156 HH TYR 27 HH TYR 27 -1.684 7.338 -8.988
157 H GLY 28 H GLY 28 2.756 5.916 -3.836
158 HA2 GLY 28 HA3 GLY 28 0.250 7.327 -4.472
159 HA3 GLY 28 HA2 GLY 28 0.619 7.141 -2.746
160 H THR 29 H THR 29 1.189 9.099 -2.053
161 HA THR 29 HA THR 29 3.616 10.294 -3.217
162 HB THR 29 HB THR 29 1.202 12.080 -2.836
163 HG1 THR 29 HG1 THR 29 0.743 10.503 -4.482
164 HG21 THR 29 HG21 THR 29 2.482 13.575 -4.318
165 HG22 THR 29 HG22 THR 29 3.419 13.138 -2.870
166 HG23 THR 29 HG23 THR 29 3.775 12.356 -4.429
167 H GLY 30 H GLY 30 2.882 8.969 -0.707
168 HA2 GLY 30 HA3 GLY 30 3.673 11.209 1.086
169 HA3 GLY 30 HA2 GLY 30 2.304 10.173 1.536
170 H CYS 31 H CYS 31 2.964 7.689 1.152
171 HA CYS 31 HA CYS 31 4.686 7.007 3.246
172 HB2 CYS 31 HB3 CYS 31 4.670 4.749 2.355
173 HB3 CYS 31 HB2 CYS 31 3.062 5.475 2.204
Start of MODEL 4
1 H1 CYS 1 H1 CYS 1 3.830 -1.222 8.984
2 H2 CYS 1 H2 CYS 1 2.872 -0.231 9.889
3 H3 CYS 1 H3 CYS 1 4.329 0.310 9.338
4 HA CYS 1 HA CYS 1 2.016 -0.398 7.702
5 HB2 CYS 1 HB3 CYS 1 2.131 2.070 7.131
6 HB3 CYS 1 HB2 CYS 1 1.552 1.663 8.754
7 H LYS 2 H LYS 2 2.263 0.033 5.453
8 HA LYS 2 HA LYS 2 4.849 -0.790 4.451
9 HB2 LYS 2 HB2 LYS 2 2.469 0.305 2.921
10 HB3 LYS 2 HB3 LYS 2 3.822 -0.623 2.251
11 HG2 LYS 2 HG3 LYS 2 1.653 -1.587 4.131
12 HG3 LYS 2 HG2 LYS 2 1.960 -2.102 2.460
13 HD2 LYS 2 HD3 LYS 2 3.090 -3.810 3.397
14 HD3 LYS 2 HD2 LYS 2 4.378 -2.613 3.652
15 HE2 LYS 2 HE3 LYS 2 2.562 -2.286 5.796
16 HE3 LYS 2 HE2 LYS 2 2.789 -4.036 5.600
17 HZ1 LYS 2 HZ1 LYS 2 4.419 -3.089 7.073
18 HZ2 LYS 2 HZ2 LYS 2 5.156 -3.683 5.723
19 HZ3 LYS 2 HZ3 LYS 2 4.950 -2.057 5.902
20 H SER 3 H SER 3 6.525 0.385 3.811
21 HA SER 3 HA SER 3 6.244 3.334 3.858
22 HB2 SER 3 HB3 SER 3 8.370 1.410 4.433
23 HB3 SER 3 HB2 SER 3 8.918 2.707 3.349
24 HG SER 3 HG SER 3 9.135 3.262 5.579
25 H GLY 4 H GLY 4 5.221 1.586 1.644
26 HA2 GLY 4 HA3 GLY 4 4.983 2.388 -0.610
27 HA3 GLY 4 HA2 GLY 4 6.622 3.062 -0.521
28 H GLY 5 H GLY 5 5.381 1.293 -2.543
29 HA2 GLY 5 HA3 GLY 5 5.907 -0.622 -3.732
30 HA3 GLY 5 HA2 GLY 5 7.561 -0.314 -3.170
31 H ALA 6 H ALA 6 4.819 -1.079 -1.072
32 HA ALA 6 HA ALA 6 6.231 -3.608 -0.355
33 HB1 ALA 6 HB1 ALA 6 5.998 -1.874 1.435
34 HB2 ALA 6 HB2 ALA 6 4.231 -2.052 1.312
35 HB3 ALA 6 HB3 ALA 6 5.230 -3.431 1.829
36 H TRP 7 H TRP 7 5.140 -5.528 -0.217
37 HA TRP 7 HA TRP 7 2.809 -5.773 -1.914
38 HB2 TRP 7 HB3 TRP 7 4.820 -7.459 -1.170
39 HB3 TRP 7 HB2 TRP 7 3.505 -8.027 -0.125
40 HD1 TRP 7 HD1 TRP 7 4.761 -8.260 -3.658
41 HE1 TRP 7 HE1 TRP 7 3.116 -9.614 -5.115
42 HE3 TRP 7 HE3 TRP 7 0.819 -8.429 -0.408
43 HZ2 TRP 7 HZ2 TRP 7 0.497 -10.606 -4.884
44 HZ3 TRP 7 HZ3 TRP 7 -1.231 -9.604 -1.101
45 HH2 TRP 7 HH2 TRP 7 -1.388 -10.678 -3.310
46 H CYS 8 H CYS 8 0.712 -5.869 -1.424
47 HA CYS 8 HA CYS 8 -0.037 -6.125 1.454
48 HB2 CYS 8 HB3 CYS 8 -1.988 -4.488 0.539
49 HB3 CYS 8 HB2 CYS 8 -0.524 -3.929 1.363
50 H GLY 9 H GLY 9 -1.759 -5.685 -1.667
51 HA2 GLY 9 HA2 GLY 9 -3.222 -7.118 -2.754
52 HA3 GLY 9 HA3 GLY 9 -2.720 -8.420 -1.657
53 H PHE 10 H PHE 10 -3.742 -8.606 0.409
54 HA PHE 10 HA PHE 10 -6.533 -8.379 0.351
55 HB2 PHE 10 HB3 PHE 10 -6.440 -8.731 2.806
56 HB3 PHE 10 HB2 PHE 10 -5.414 -9.854 1.897
57 HD1 PHE 10 HD1 PHE 10 -5.435 -6.978 4.185
58 HD2 PHE 10 HD2 PHE 10 -3.006 -9.761 2.064
59 HE1 PHE 10 HE1 PHE 10 -3.498 -6.326 5.550
60 HE2 PHE 10 HE2 PHE 10 -1.069 -9.113 3.427
61 HZ PHE 10 HZ PHE 10 -1.310 -7.391 5.170
62 H ASP 11 H ASP 11 -4.108 -6.087 1.533
63 HA ASP 11 HA ASP 11 -6.319 -4.173 2.143
64 HB2 ASP 11 HB3 ASP 11 -3.703 -4.751 3.400
65 HB3 ASP 11 HB2 ASP 11 -4.061 -3.026 3.185
66 HA PRO 12 HA PRO 12 -4.485 -2.573 -1.737
67 HB2 PRO 12 HB2 PRO 12 -6.859 -1.508 -2.654
68 HB3 PRO 12 HB3 PRO 12 -6.397 -3.219 -2.890
69 HG2 PRO 12 HG3 PRO 12 -8.201 -1.998 -0.822
70 HG3 PRO 12 HG2 PRO 12 -8.427 -3.481 -1.790
71 HD2 PRO 12 HD3 PRO 12 -7.569 -3.519 0.791
72 HD3 PRO 12 HD2 PRO 12 -7.043 -4.737 -0.411
73 H HIS 13 H HIS 13 -5.844 -1.266 1.067
74 HA HIS 13 HA HIS 13 -4.882 1.445 0.299
75 HB2 HIS 13 HB3 HIS 13 -7.589 0.684 1.358
76 HB3 HIS 13 HB2 HIS 13 -6.868 2.230 1.840
77 HD1 HIS 13 HD1 HIS 13 -6.737 4.098 0.101
78 HD2 HIS 13 HD2 HIS 13 -8.257 0.506 -1.403
79 HE1 HIS 13 HE1 HIS 13 -7.695 4.637 -2.186
80 HE2 HIS 13 HE2 HIS 13 -8.614 2.450 -3.094
81 H GLY 14 H GLY 14 -3.897 -0.904 1.947
82 HA2 GLY 14 HA3 GLY 14 -3.841 0.401 4.621
83 HA3 GLY 14 HA2 GLY 14 -3.421 -1.288 4.276
84 H CYS 15 H CYS 15 -2.353 2.067 4.074
85 HA CYS 15 HA CYS 15 0.447 1.083 4.099
86 HB2 CYS 15 HB3 CYS 15 -0.491 3.301 2.254
87 HB3 CYS 15 HB2 CYS 15 1.143 2.631 2.388
88 H CYS 16 H CYS 16 1.999 2.790 4.692
89 HA CYS 16 HA CYS 16 1.173 4.139 7.049
90 HB2 CYS 16 HB2 CYS 16 3.576 3.555 5.799
91 HB3 CYS 16 HB3 CYS 16 3.507 5.323 5.720
92 H GLY 17 H GLY 17 1.754 5.356 3.732
93 HA2 GLY 17 HA3 GLY 17 0.481 7.918 4.593
94 HA3 GLY 17 HA2 GLY 17 1.633 7.755 3.253
95 H ASN 18 H ASN 18 0.316 8.648 1.699
96 HA ASN 18 HA ASN 18 -2.353 7.472 1.258
97 HB2 ASN 18 HB3 ASN 18 -1.187 9.403 -0.689
98 HB3 ASN 18 HB2 ASN 18 -2.820 9.316 0.000
99 HD21 ASN 18 HD21 ASN 18 0.527 10.348 0.583
100 HD22 ASN 18 HD22 ASN 18 0.150 11.498 1.846
101 H CYS 19 H CYS 19 -0.269 5.621 0.975
102 HA CYS 19 HA CYS 19 0.210 5.339 -1.923
103 HB2 CYS 19 HB3 CYS 19 1.085 3.757 0.507
104 HB3 CYS 19 HB2 CYS 19 1.403 3.228 -1.153
105 H GLY 20 H GLY 20 -0.634 3.767 -3.232
106 HA2 GLY 20 HA2 GLY 20 -2.769 2.085 -1.988
107 HA3 GLY 20 HA3 GLY 20 -3.008 2.925 -3.533
108 H CYS 21 H CYS 21 -3.146 0.050 -2.857
109 HA CYS 21 HA CYS 21 -0.797 -1.090 -4.229
110 HB2 CYS 21 HB2 CYS 21 -3.283 -2.544 -3.303
111 HB3 CYS 21 HB3 CYS 21 -1.679 -3.224 -3.627
112 H LEU 22 H LEU 22 -1.583 0.379 -6.118
113 HA LEU 22 HA LEU 22 -3.822 -0.177 -7.681
114 HB2 LEU 22 HB3 LEU 22 -2.720 0.864 -9.456
115 HB3 LEU 22 HB2 LEU 22 -1.992 1.571 -8.009
116 HG LEU 22 HG LEU 22 -0.718 -0.695 -9.547
117 HD11 LEU 22 HD11 LEU 22 -0.991 1.266 -11.015
118 HD12 LEU 22 HD12 LEU 22 -0.192 2.285 -9.794
119 HD13 LEU 22 HD13 LEU 22 0.717 0.984 -10.600
120 HD21 LEU 22 HD21 LEU 22 1.318 0.534 -8.372
121 HD22 LEU 22 HD22 LEU 22 0.045 1.060 -7.245
122 HD23 LEU 22 HD23 LEU 22 0.340 -0.676 -7.507
123 H VAL 23 H VAL 23 -0.937 -2.099 -7.216
124 HA VAL 23 HA VAL 23 -2.200 -4.262 -8.788
125 HB VAL 23 HB VAL 23 -0.576 -2.968 -10.280
126 HG11 VAL 23 HG11 VAL 23 1.140 -2.557 -8.561
127 HG12 VAL 23 HG12 VAL 23 1.809 -3.411 -9.972
128 HG13 VAL 23 HG13 VAL 23 1.463 -4.306 -8.472
129 HG21 VAL 23 HG21 VAL 23 -1.338 -5.263 -10.746
130 HG22 VAL 23 HG22 VAL 23 0.346 -5.008 -11.262
131 HG23 VAL 23 HG23 VAL 23 0.001 -5.902 -9.762
132 H GLY 24 H GLY 24 -1.412 -3.483 -5.915
133 HA2 GLY 24 HA2 GLY 24 -1.216 -5.277 -4.270
134 HA3 GLY 24 HA3 GLY 24 -0.065 -6.088 -5.349
135 H PHE 25 H PHE 25 0.875 -3.059 -5.732
136 HA PHE 25 HA PHE 25 2.692 -3.147 -3.359
137 HB2 PHE 25 HB2 PHE 25 3.319 -1.821 -6.002
138 HB3 PHE 25 HB3 PHE 25 4.436 -2.249 -4.694
139 HD1 PHE 25 HD2 PHE 25 4.333 -4.897 -4.109
140 HD2 PHE 25 HD1 PHE 25 3.390 -3.147 -7.877
141 HE1 PHE 25 HE2 PHE 25 4.803 -7.037 -5.220
142 HE2 PHE 25 HE1 PHE 25 3.857 -5.285 -8.990
143 HZ PHE 25 HZ PHE 25 4.562 -7.236 -7.663
144 H CYS 26 H CYS 26 2.703 -1.471 -2.024
145 HA CYS 26 HA CYS 26 0.781 0.604 -2.204
146 HB2 CYS 26 HB3 CYS 26 3.231 0.119 -0.537
147 HB3 CYS 26 HB2 CYS 26 2.455 1.710 -0.488
148 H TYR 27 H TYR 27 0.711 2.474 -3.244
149 HA TYR 27 HA TYR 27 3.209 3.845 -3.993
150 HB2 TYR 27 HB2 TYR 27 3.220 3.071 -6.082
151 HB3 TYR 27 HB3 TYR 27 1.656 2.266 -5.869
152 HD1 TYR 27 HD1 TYR 27 3.184 5.601 -6.599
153 HD2 TYR 27 HD2 TYR 27 -0.252 3.109 -6.968
154 HE1 TYR 27 HE1 TYR 27 2.139 7.263 -8.076
155 HE2 TYR 27 HE2 TYR 27 -1.297 4.766 -8.448
156 HH TYR 27 HH TYR 27 -1.051 7.344 -8.787
157 H GLY 28 H GLY 28 2.936 5.866 -3.349
158 HA2 GLY 28 HA3 GLY 28 0.484 7.288 -4.134
159 HA3 GLY 28 HA2 GLY 28 0.751 7.120 -2.388
160 H THR 29 H THR 29 1.284 9.094 -1.701
161 HA THR 29 HA THR 29 3.798 10.240 -2.712
162 HB THR 29 HB THR 29 1.371 12.045 -2.574
163 HG1 THR 29 HG1 THR 29 1.063 10.436 -4.225
164 HG21 THR 29 HG21 THR 29 2.783 13.511 -3.962
165 HG22 THR 29 HG22 THR 29 3.583 13.103 -2.425
166 HG23 THR 29 HG23 THR 29 4.079 12.292 -3.930
167 H GLY 30 H GLY 30 2.918 8.986 -0.236
168 HA2 GLY 30 HA2 GLY 30 3.726 11.188 1.551
169 HA3 GLY 30 HA3 GLY 30 2.159 10.428 1.892
170 H CYS 31 H CYS 31 4.506 8.350 0.501
171 HA CYS 31 HA CYS 31 5.007 7.167 3.199
172 HB2 CYS 31 HB3 CYS 31 5.240 5.682 0.579
173 HB3 CYS 31 HB2 CYS 31 5.068 5.030 2.217
Start of MODEL 5
1 H1 CYS 1 H1 CYS 1 3.097 -1.268 9.823
2 H2 CYS 1 H2 CYS 1 1.951 -0.164 10.257
3 H3 CYS 1 H3 CYS 1 3.511 0.316 10.021
4 HA CYS 1 HA CYS 1 1.697 -0.734 7.988
5 HB2 CYS 1 HB2 CYS 1 2.091 1.623 7.049
6 HB3 CYS 1 HB3 CYS 1 0.980 1.450 8.417
7 H LYS 2 H LYS 2 2.554 -0.430 5.789
8 HA LYS 2 HA LYS 2 5.222 -1.531 5.611
9 HB2 LYS 2 HB3 LYS 2 3.542 -0.389 3.359
10 HB3 LYS 2 HB2 LYS 2 4.858 -1.570 3.241
11 HG2 LYS 2 HG3 LYS 2 2.140 -2.000 4.507
12 HG3 LYS 2 HG2 LYS 2 2.744 -2.701 2.991
13 HD2 LYS 2 HD3 LYS 2 3.294 -4.465 4.287
14 HD3 LYS 2 HD2 LYS 2 4.698 -3.472 4.730
15 HE2 LYS 2 HE3 LYS 2 4.003 -3.298 6.851
16 HE3 LYS 2 HE2 LYS 2 2.390 -2.763 6.337
17 HZ1 LYS 2 HZ1 LYS 2 2.293 -4.805 7.582
18 HZ2 LYS 2 HZ2 LYS 2 1.787 -5.063 6.034
19 HZ3 LYS 2 HZ3 LYS 2 3.286 -5.565 6.507
20 H SER 3 H SER 3 6.366 -0.373 3.423
21 HA SER 3 HA SER 3 6.875 2.437 4.302
22 HB2 SER 3 HB2 SER 3 8.754 0.162 3.973
23 HB3 SER 3 HB3 SER 3 9.283 1.705 3.267
24 HG SER 3 HG SER 3 9.905 1.478 5.478
25 H GLY 4 H GLY 4 5.312 0.962 2.062
26 HA2 GLY 4 HA2 GLY 4 4.693 1.849 -0.022
27 HA3 GLY 4 HA3 GLY 4 6.153 2.858 -0.022
28 H GLY 5 H GLY 5 5.153 1.364 -2.248
29 HA2 GLY 5 HA3 GLY 5 5.883 -0.138 -3.847
30 HA3 GLY 5 HA2 GLY 5 7.505 0.230 -3.230
31 H ALA 6 H ALA 6 5.075 -1.219 -1.170
32 HA ALA 6 HA ALA 6 6.610 -3.778 -1.310
33 HB1 ALA 6 HB1 ALA 6 5.983 -4.127 1.049
34 HB2 ALA 6 HB2 ALA 6 6.926 -2.635 0.826
35 HB3 ALA 6 HB3 ALA 6 5.164 -2.547 1.057
36 H TRP 7 H TRP 7 5.445 -5.741 -0.955
37 HA TRP 7 HA TRP 7 2.898 -5.743 -2.343
38 HB2 TRP 7 HB3 TRP 7 4.895 -7.565 -2.046
39 HB3 TRP 7 HB2 TRP 7 3.734 -8.163 -0.848
40 HD1 TRP 7 HD1 TRP 7 4.426 -8.210 -4.528
41 HE1 TRP 7 HE1 TRP 7 2.502 -9.362 -5.805
42 HE3 TRP 7 HE3 TRP 7 0.995 -8.376 -0.746
43 HZ2 TRP 7 HZ2 TRP 7 -0.119 -10.216 -5.245
44 HZ3 TRP 7 HZ3 TRP 7 -1.211 -9.377 -1.195
45 HH2 TRP 7 HH2 TRP 7 -1.757 -10.289 -3.415
46 H CYS 8 H CYS 8 0.892 -5.758 -1.565
47 HA CYS 8 HA CYS 8 0.536 -6.223 1.362
48 HB2 CYS 8 HB2 CYS 8 -1.472 -4.442 0.633
49 HB3 CYS 8 HB3 CYS 8 -0.032 -4.077 1.597
50 H GLY 9 H GLY 9 -1.710 -5.397 -1.297
51 HA2 GLY 9 HA3 GLY 9 -3.298 -6.779 -2.332
52 HA3 GLY 9 HA2 GLY 9 -2.752 -8.135 -1.326
53 H PHE 10 H PHE 10 -3.180 -7.621 1.158
54 HA PHE 10 HA PHE 10 -6.018 -7.681 1.455
55 HB2 PHE 10 HB3 PHE 10 -5.581 -7.686 3.853
56 HB3 PHE 10 HB2 PHE 10 -4.465 -8.774 3.011
57 HD1 PHE 10 HD2 PHE 10 -2.094 -8.211 2.801
58 HD2 PHE 10 HD1 PHE 10 -4.775 -5.687 4.944
59 HE1 PHE 10 HE2 PHE 10 -0.184 -7.065 3.837
60 HE2 PHE 10 HE1 PHE 10 -2.867 -4.536 5.979
61 HZ PHE 10 HZ PHE 10 -0.568 -5.222 5.426
62 H ASP 11 H ASP 11 -3.609 -5.113 1.902
63 HA ASP 11 HA ASP 11 -5.870 -3.209 2.349
64 HB2 ASP 11 HB2 ASP 11 -3.157 -3.443 3.557
65 HB3 ASP 11 HB3 ASP 11 -3.740 -1.803 3.213
66 HA PRO 12 HA PRO 12 -3.971 -2.238 -1.751
67 HB2 PRO 12 HB3 PRO 12 -6.388 -1.765 -2.994
68 HB3 PRO 12 HB2 PRO 12 -5.653 -3.391 -2.875
69 HG2 PRO 12 HG2 PRO 12 -7.808 -2.128 -1.201
70 HG3 PRO 12 HG3 PRO 12 -7.700 -3.786 -1.857
71 HD2 PRO 12 HD2 PRO 12 -7.097 -3.197 0.730
72 HD3 PRO 12 HD3 PRO 12 -6.275 -4.499 -0.184
73 H HIS 13 H HIS 13 -5.745 -0.662 0.649
74 HA HIS 13 HA HIS 13 -5.044 1.972 -0.514
75 HB2 HIS 13 HB2 HIS 13 -7.199 2.928 -0.135
76 HB3 HIS 13 HB3 HIS 13 -7.425 1.476 -1.126
77 HD1 HIS 13 HD1 HIS 13 -9.290 3.074 1.207
78 HD2 HIS 13 HD2 HIS 13 -7.668 -0.778 1.202
79 HE1 HIS 13 HE1 HIS 13 -10.684 1.718 2.835
80 HE2 HIS 13 HE2 HIS 13 -9.695 -0.621 2.825
81 H GLY 14 H GLY 14 -4.148 0.139 1.716
82 HA2 GLY 14 HA3 GLY 14 -4.772 1.913 4.029
83 HA3 GLY 14 HA2 GLY 14 -4.158 0.252 4.134
84 H CYS 15 H CYS 15 -1.965 -0.172 3.847
85 HA CYS 15 HA CYS 15 0.263 0.308 4.218
86 HB2 CYS 15 HB3 CYS 15 -0.630 1.743 1.874
87 HB3 CYS 15 HB2 CYS 15 0.634 2.668 2.702
88 H CYS 16 H CYS 16 1.795 2.529 4.376
89 HA CYS 16 HA CYS 16 0.897 3.659 6.923
90 HB2 CYS 16 HB2 CYS 16 3.341 3.004 5.901
91 HB3 CYS 16 HB3 CYS 16 3.326 4.754 5.630
92 H GLY 17 H GLY 17 2.048 5.081 3.823
93 HA2 GLY 17 HA2 GLY 17 0.752 7.619 4.572
94 HA3 GLY 17 HA3 GLY 17 1.804 7.339 3.172
95 H ASN 18 H ASN 18 0.278 8.504 1.889
96 HA ASN 18 HA ASN 18 -2.386 7.285 1.540
97 HB2 ASN 18 HB3 ASN 18 -2.834 9.165 0.064
98 HB3 ASN 18 HB2 ASN 18 -2.130 9.744 1.586
99 HD21 ASN 18 HD21 ASN 18 -1.953 9.844 -1.798
100 HD22 ASN 18 HD22 ASN 18 -0.389 10.612 -1.952
101 H CYS 19 H CYS 19 -0.492 5.445 0.900
102 HA CYS 19 HA CYS 19 -0.467 5.465 -2.090
103 HB2 CYS 19 HB2 CYS 19 1.258 3.736 -0.310
104 HB3 CYS 19 HB3 CYS 19 1.462 4.079 -2.035
105 H GLY 20 H GLY 20 -1.356 3.805 -3.214
106 HA2 GLY 20 HA3 GLY 20 -2.672 1.692 -1.552
107 HA3 GLY 20 HA2 GLY 20 -3.404 2.403 -3.003
108 H CYS 21 H CYS 21 -2.966 -0.386 -2.512
109 HA CYS 21 HA CYS 21 -0.668 -1.121 -4.201
110 HB2 CYS 21 HB2 CYS 21 -2.784 -2.994 -3.140
111 HB3 CYS 21 HB3 CYS 21 -1.108 -3.360 -3.582
112 H LEU 22 H LEU 22 -1.804 0.248 -5.945
113 HA LEU 22 HA LEU 22 -4.130 -0.521 -7.272
114 HB2 LEU 22 HB3 LEU 22 -3.339 0.653 -9.139
115 HB3 LEU 22 HB2 LEU 22 -2.572 1.430 -7.750
116 HG LEU 22 HG LEU 22 -1.179 -0.641 -9.454
117 HD11 LEU 22 HD11 LEU 22 -1.821 1.297 -10.833
118 HD12 LEU 22 HD12 LEU 22 -1.043 2.384 -9.659
119 HD13 LEU 22 HD13 LEU 22 -0.061 1.220 -10.580
120 HD21 LEU 22 HD21 LEU 22 0.792 0.811 -8.429
121 HD22 LEU 22 HD22 LEU 22 0.055 -0.529 -7.520
122 HD23 LEU 22 HD23 LEU 22 -0.426 1.150 -7.177
123 H VAL 23 H VAL 23 -0.971 -2.065 -7.280
124 HA VAL 23 HA VAL 23 -2.177 -4.367 -8.695
125 HB VAL 23 HB VAL 23 -1.008 -2.879 -10.396
126 HG11 VAL 23 HG11 VAL 23 0.863 -2.181 -8.955
127 HG12 VAL 23 HG12 VAL 23 1.468 -3.855 -8.938
128 HG13 VAL 23 HG13 VAL 23 1.434 -2.936 -10.462
129 HG21 VAL 23 HG21 VAL 23 -1.461 -5.272 -10.767
130 HG22 VAL 23 HG22 VAL 23 0.063 -4.760 -11.532
131 HG23 VAL 23 HG23 VAL 23 0.097 -5.679 -10.008
132 H GLY 24 H GLY 24 -1.312 -3.750 -5.930
133 HA2 GLY 24 HA2 GLY 24 -0.572 -5.589 -4.501
134 HA3 GLY 24 HA3 GLY 24 0.673 -5.970 -5.706
135 H PHE 25 H PHE 25 1.549 -3.289 -6.184
136 HA PHE 25 HA PHE 25 3.105 -2.918 -3.686
137 HB2 PHE 25 HB2 PHE 25 3.561 -1.532 -6.332
138 HB3 PHE 25 HB3 PHE 25 4.708 -1.767 -5.002
139 HD1 PHE 25 HD2 PHE 25 5.305 -4.247 -4.444
140 HD2 PHE 25 HD1 PHE 25 3.572 -2.999 -8.131
141 HE1 PHE 25 HE2 PHE 25 6.120 -6.298 -5.521
142 HE2 PHE 25 HE1 PHE 25 4.386 -5.049 -9.209
143 HZ PHE 25 HZ PHE 25 5.658 -6.706 -7.905
144 H CYS 26 H CYS 26 2.892 -1.218 -2.385
145 HA CYS 26 HA CYS 26 0.667 0.556 -2.663
146 HB2 CYS 26 HB3 CYS 26 3.001 0.292 -0.815
147 HB3 CYS 26 HB2 CYS 26 2.143 1.841 -0.844
148 H TYR 27 H TYR 27 0.423 2.380 -3.746
149 HA TYR 27 HA TYR 27 2.844 3.967 -4.434
150 HB2 TYR 27 HB3 TYR 27 2.697 3.430 -6.592
151 HB3 TYR 27 HB2 TYR 27 1.275 2.423 -6.273
152 HD1 TYR 27 HD2 TYR 27 2.326 5.919 -7.036
153 HD2 TYR 27 HD1 TYR 27 -0.876 3.108 -6.986
154 HE1 TYR 27 HE2 TYR 27 0.914 7.508 -8.265
155 HE2 TYR 27 HE1 TYR 27 -2.287 4.690 -8.222
156 HH TYR 27 HH TYR 27 -1.151 7.287 -9.853
157 H GLY 28 H GLY 28 2.590 5.953 -3.692
158 HA2 GLY 28 HA2 GLY 28 0.036 7.332 -4.153
159 HA3 GLY 28 HA3 GLY 28 0.479 7.094 -2.451
160 H THR 29 H THR 29 1.028 9.056 -1.733
161 HA THR 29 HA THR 29 3.387 10.327 -2.951
162 HB THR 29 HB THR 29 0.957 12.057 -2.439
163 HG1 THR 29 HG1 THR 29 0.462 10.509 -4.100
164 HG21 THR 29 HG21 THR 29 2.152 13.607 -3.936
165 HG22 THR 29 HG22 THR 29 3.152 13.156 -2.535
166 HG23 THR 29 HG23 THR 29 3.460 12.416 -4.124
167 H GLY 30 H GLY 30 2.754 8.929 -0.447
168 HA2 GLY 30 HA2 GLY 30 3.601 11.128 1.363
169 HA3 GLY 30 HA3 GLY 30 2.238 10.097 1.842
170 H CYS 31 H CYS 31 2.929 7.605 1.287
171 HA CYS 31 HA CYS 31 4.644 6.834 3.351
172 HB2 CYS 31 HB3 CYS 31 4.741 4.637 2.262
173 HB3 CYS 31 HB2 CYS 31 3.099 5.302 2.257
Start of MODEL 6
1 H1 CYS 1 H1 CYS 1 2.989 -1.528 9.021
2 H2 CYS 1 H2 CYS 1 3.532 -0.063 9.549
3 H3 CYS 1 H3 CYS 1 1.984 -0.533 9.871
4 HA CYS 1 HA CYS 1 1.411 -0.492 7.588
5 HB2 CYS 1 HB3 CYS 1 1.764 1.999 7.224
6 HB3 CYS 1 HB2 CYS 1 0.939 1.522 8.717
7 H LYS 2 H LYS 2 1.969 -0.093 5.431
8 HA LYS 2 HA LYS 2 4.669 -0.904 4.753
9 HB2 LYS 2 HB2 LYS 2 2.554 0.197 2.887
10 HB3 LYS 2 HB3 LYS 2 3.925 -0.848 2.474
11 HG2 LYS 2 HG3 LYS 2 1.473 -1.586 4.098
12 HG3 LYS 2 HG2 LYS 2 1.906 -2.160 2.474
13 HD2 LYS 2 HD2 LYS 2 2.831 -3.916 3.521
14 HD3 LYS 2 HD3 LYS 2 4.148 -2.804 3.946
15 HE2 LYS 2 HE2 LYS 2 2.088 -2.366 5.837
16 HE3 LYS 2 HE3 LYS 2 2.238 -4.126 5.665
17 HZ1 LYS 2 HZ1 LYS 2 3.710 -3.269 7.344
18 HZ2 LYS 2 HZ2 LYS 2 4.443 -2.265 6.262
19 HZ3 LYS 2 HZ3 LYS 2 4.589 -3.899 6.099
20 H SER 3 H SER 3 6.316 0.249 3.844
21 HA SER 3 HA SER 3 6.099 3.196 4.158
22 HB2 SER 3 HB3 SER 3 8.279 1.197 4.381
23 HB3 SER 3 HB2 SER 3 8.729 2.735 3.613
24 HG SER 3 HG SER 3 8.966 2.786 5.907
25 H GLY 4 H GLY 4 5.099 1.460 1.840
26 HA2 GLY 4 HA2 GLY 4 4.766 2.390 -0.353
27 HA3 GLY 4 HA3 GLY 4 6.366 3.150 -0.256
28 H GLY 5 H GLY 5 5.198 1.450 -2.364
29 HA2 GLY 5 HA2 GLY 5 5.791 -0.363 -3.669
30 HA3 GLY 5 HA3 GLY 5 7.439 -0.019 -3.111
31 H ALA 6 H ALA 6 4.855 -0.956 -0.919
32 HA ALA 6 HA ALA 6 6.312 -3.519 -0.468
33 HB1 ALA 6 HB1 ALA 6 6.090 -3.192 1.738
34 HB2 ALA 6 HB2 ALA 6 5.625 -1.522 1.332
35 HB3 ALA 6 HB3 ALA 6 4.370 -2.759 1.582
36 H TRP 7 H TRP 7 5.353 -5.398 -0.845
37 HA TRP 7 HA TRP 7 2.880 -5.554 -2.228
38 HB2 TRP 7 HB2 TRP 7 4.940 -7.259 -1.783
39 HB3 TRP 7 HB3 TRP 7 3.736 -7.938 -0.674
40 HD1 TRP 7 HD1 TRP 7 4.664 -7.814 -4.320
41 HE1 TRP 7 HE1 TRP 7 2.934 -9.100 -5.738
42 HE3 TRP 7 HE3 TRP 7 1.068 -8.449 -0.745
43 HZ2 TRP 7 HZ2 TRP 7 0.387 -10.226 -5.355
44 HZ3 TRP 7 HZ3 TRP 7 -0.997 -9.643 -1.349
45 HH2 TRP 7 HH2 TRP 7 -1.332 -10.525 -3.622
46 H CYS 8 H CYS 8 0.817 -5.728 -1.629
47 HA CYS 8 HA CYS 8 0.251 -6.182 1.268
48 HB2 CYS 8 HB3 CYS 8 -1.825 -4.599 0.513
49 HB3 CYS 8 HB2 CYS 8 -0.357 -4.019 1.316
50 H GLY 9 H GLY 9 -1.745 -5.643 -1.661
51 HA2 GLY 9 HA3 GLY 9 -3.178 -7.124 -2.750
52 HA3 GLY 9 HA2 GLY 9 -2.560 -8.436 -1.728
53 H PHE 10 H PHE 10 -3.421 -8.696 0.414
54 HA PHE 10 HA PHE 10 -6.225 -8.617 0.524
55 HB2 PHE 10 HB3 PHE 10 -5.975 -9.059 2.938
56 HB3 PHE 10 HB2 PHE 10 -4.904 -10.068 1.951
57 HD1 PHE 10 HD2 PHE 10 -2.489 -9.694 1.947
58 HD2 PHE 10 HD1 PHE 10 -5.070 -7.372 4.416
59 HE1 PHE 10 HE2 PHE 10 -0.554 -8.937 3.257
60 HE2 PHE 10 HE1 PHE 10 -3.136 -6.612 5.728
61 HZ PHE 10 HZ PHE 10 -0.871 -7.389 5.145
62 H ASP 11 H ASP 11 -3.844 -6.219 1.544
63 HA ASP 11 HA ASP 11 -6.100 -4.432 2.353
64 HB2 ASP 11 HB3 ASP 11 -4.090 -5.153 3.958
65 HB3 ASP 11 HB2 ASP 11 -3.271 -3.826 3.112
66 HA PRO 12 HA PRO 12 -4.518 -2.657 -1.561
67 HB2 PRO 12 HB3 PRO 12 -6.976 -1.664 -2.325
68 HB3 PRO 12 HB2 PRO 12 -6.457 -3.343 -2.653
69 HG2 PRO 12 HG3 PRO 12 -8.209 -2.264 -0.465
70 HG3 PRO 12 HG2 PRO 12 -8.415 -3.732 -1.462
71 HD2 PRO 12 HD3 PRO 12 -7.439 -3.794 1.079
72 HD3 PRO 12 HD2 PRO 12 -6.919 -4.960 -0.177
73 H HIS 13 H HIS 13 -5.873 -1.471 1.320
74 HA HIS 13 HA HIS 13 -5.060 1.300 0.576
75 HB2 HIS 13 HB3 HIS 13 -6.941 2.251 1.703
76 HB3 HIS 13 HB2 HIS 13 -7.555 1.045 0.558
77 HD1 HIS 13 HD1 HIS 13 -7.192 1.740 4.234
78 HD2 HIS 13 HD2 HIS 13 -8.797 -1.185 1.719
79 HE1 HIS 13 HE1 HIS 13 -8.612 0.242 5.710
80 HE2 HIS 13 HE2 HIS 13 -9.589 -1.530 4.171
81 H GLY 14 H GLY 14 -3.878 -1.062 2.109
82 HA2 GLY 14 HA3 GLY 14 -3.705 0.166 4.808
83 HA3 GLY 14 HA2 GLY 14 -3.179 -1.469 4.362
84 H CYS 15 H CYS 15 -2.391 1.966 4.242
85 HA CYS 15 HA CYS 15 0.473 1.212 4.049
86 HB2 CYS 15 HB2 CYS 15 -0.783 3.380 2.343
87 HB3 CYS 15 HB3 CYS 15 0.921 2.898 2.361
88 H CYS 16 H CYS 16 1.925 2.831 4.811
89 HA CYS 16 HA CYS 16 0.853 4.290 7.071
90 HB2 CYS 16 HB3 CYS 16 3.343 3.291 6.319
91 HB3 CYS 16 HB2 CYS 16 3.548 5.048 6.230
92 H GLY 17 H GLY 17 1.474 5.028 3.737
93 HA2 GLY 17 HA2 GLY 17 0.973 7.908 4.360
94 HA3 GLY 17 HA3 GLY 17 2.035 7.373 3.043
95 H ASN 18 H ASN 18 0.703 8.707 1.661
96 HA ASN 18 HA ASN 18 -2.062 7.782 1.216
97 HB2 ASN 18 HB3 ASN 18 -0.558 9.883 -0.364
98 HB3 ASN 18 HB2 ASN 18 -2.312 9.673 -0.200
99 HD21 ASN 18 HD22 ASN 18 0.664 10.587 1.526
100 HD22 ASN 18 HD21 ASN 18 -0.125 11.563 2.745
101 H CYS 19 H CYS 19 -0.385 5.716 0.719
102 HA CYS 19 HA CYS 19 -0.159 5.652 -2.258
103 HB2 CYS 19 HB2 CYS 19 1.144 3.709 -0.352
104 HB3 CYS 19 HB3 CYS 19 1.544 4.025 -2.048
105 H GLY 20 H GLY 20 -0.913 3.844 -3.405
106 HA2 GLY 20 HA2 GLY 20 -2.768 2.107 -1.833
107 HA3 GLY 20 HA3 GLY 20 -3.253 2.836 -3.377
108 H CYS 21 H CYS 21 -3.269 0.049 -2.761
109 HA CYS 21 HA CYS 21 -0.930 -1.076 -4.160
110 HB2 CYS 21 HB3 CYS 21 -3.393 -2.541 -3.178
111 HB3 CYS 21 HB2 CYS 21 -1.803 -3.217 -3.566
112 H LEU 22 H LEU 22 -1.914 0.486 -5.973
113 HA LEU 22 HA LEU 22 -4.122 -0.198 -7.513
114 HB2 LEU 22 HB3 LEU 22 -3.148 0.981 -9.273
115 HB3 LEU 22 HB2 LEU 22 -2.428 1.689 -7.823
116 HG LEU 22 HG LEU 22 -1.044 -0.433 -9.465
117 HD11 LEU 22 HD11 LEU 22 -1.509 1.534 -10.874
118 HD12 LEU 22 HD12 LEU 22 -0.748 2.582 -9.653
119 HD13 LEU 22 HD13 LEU 22 0.228 1.371 -10.519
120 HD21 LEU 22 HD21 LEU 22 0.932 0.921 -8.321
121 HD22 LEU 22 HD22 LEU 22 0.078 -0.383 -7.462
122 HD23 LEU 22 HD23 LEU 22 -0.341 1.317 -7.141
123 H VAL 23 H VAL 23 -0.993 -1.816 -7.327
124 HA VAL 23 HA VAL 23 -2.141 -4.006 -8.991
125 HB VAL 23 HB VAL 23 0.310 -4.356 -9.780
126 HG11 VAL 23 HG11 VAL 23 -1.574 -3.735 -11.240
127 HG12 VAL 23 HG12 VAL 23 -1.310 -2.020 -10.844
128 HG13 VAL 23 HG13 VAL 23 -0.064 -2.931 -11.731
129 HG21 VAL 23 HG21 VAL 23 0.614 -1.403 -9.636
130 HG22 VAL 23 HG22 VAL 23 1.841 -2.691 -9.577
131 HG23 VAL 23 HG23 VAL 23 0.882 -2.308 -8.127
132 H GLY 24 H GLY 24 -1.316 -3.219 -6.017
133 HA2 GLY 24 HA3 GLY 24 -1.245 -5.139 -4.444
134 HA3 GLY 24 HA2 GLY 24 -0.039 -5.876 -5.516
135 H PHE 25 H PHE 25 0.807 -2.778 -5.681
136 HA PHE 25 HA PHE 25 2.534 -2.948 -3.245
137 HB2 PHE 25 HB2 PHE 25 3.417 -1.424 -5.662
138 HB3 PHE 25 HB3 PHE 25 4.383 -2.265 -4.437
139 HD1 PHE 25 HD2 PHE 25 4.341 -4.830 -4.467
140 HD2 PHE 25 HD1 PHE 25 2.954 -2.445 -7.713
141 HE1 PHE 25 HE2 PHE 25 4.576 -6.752 -5.980
142 HE2 PHE 25 HE1 PHE 25 3.184 -4.366 -9.225
143 HZ PHE 25 HZ PHE 25 3.995 -6.524 -8.361
144 H CYS 26 H CYS 26 2.673 -1.212 -1.952
145 HA CYS 26 HA CYS 26 0.686 0.829 -2.131
146 HB2 CYS 26 HB3 CYS 26 3.139 0.393 -0.441
147 HB3 CYS 26 HB2 CYS 26 2.283 1.942 -0.374
148 H TYR 27 H TYR 27 0.671 2.143 -3.859
149 HA TYR 27 HA TYR 27 3.193 3.648 -4.421
150 HB2 TYR 27 HB2 TYR 27 3.005 2.912 -6.514
151 HB3 TYR 27 HB3 TYR 27 1.437 2.158 -6.173
152 HD1 TYR 27 HD2 TYR 27 3.022 5.428 -7.061
153 HD2 TYR 27 HD1 TYR 27 -0.536 3.082 -7.084
154 HE1 TYR 27 HE2 TYR 27 1.913 7.125 -8.445
155 HE2 TYR 27 HE1 TYR 27 -1.643 4.773 -8.476
156 HH TYR 27 HH TYR 27 -0.071 7.103 -10.146
157 H GLY 28 H GLY 28 3.086 5.661 -3.706
158 HA2 GLY 28 HA3 GLY 28 0.707 7.266 -4.355
159 HA3 GLY 28 HA2 GLY 28 1.042 7.050 -2.626
160 H THR 29 H THR 29 1.608 9.081 -2.057
161 HA THR 29 HA THR 29 4.227 10.004 -3.031
162 HB THR 29 HB THR 29 1.922 11.968 -3.067
163 HG1 THR 29 HG1 THR 29 1.567 10.304 -4.653
164 HG21 THR 29 HG21 THR 29 3.477 13.272 -4.466
165 HG22 THR 29 HG22 THR 29 4.193 12.887 -2.883
166 HG23 THR 29 HG23 THR 29 4.687 11.974 -4.328
167 H GLY 30 H GLY 30 3.327 8.924 -0.540
168 HA2 GLY 30 HA3 GLY 30 4.048 11.238 1.163
169 HA3 GLY 30 HA2 GLY 30 2.540 10.380 1.533
170 H CYS 31 H CYS 31 3.440 7.752 0.872
171 HA CYS 31 HA CYS 31 4.400 6.860 3.335
172 HB2 CYS 31 HB2 CYS 31 5.003 5.541 0.676
173 HB3 CYS 31 HB3 CYS 31 4.886 4.759 2.260
Start of MODEL 7
1 H1 CYS 1 H1 CYS 1 3.296 -1.095 9.835
2 H2 CYS 1 H2 CYS 1 3.692 0.498 9.997
3 H3 CYS 1 H3 CYS 1 2.147 -0.000 10.284
4 HA CYS 1 HA CYS 1 1.839 -0.610 8.030
5 HB2 CYS 1 HB3 CYS 1 2.154 1.739 7.045
6 HB3 CYS 1 HB2 CYS 1 1.106 1.566 8.463
7 H LYS 2 H LYS 2 2.623 -0.467 5.832
8 HA LYS 2 HA LYS 2 5.285 -1.502 5.583
9 HB2 LYS 2 HB3 LYS 2 3.570 -0.347 3.364
10 HB3 LYS 2 HB2 LYS 2 4.870 -1.544 3.223
11 HG2 LYS 2 HG2 LYS 2 2.174 -1.937 4.543
12 HG3 LYS 2 HG3 LYS 2 2.737 -2.653 3.018
13 HD2 LYS 2 HD2 LYS 2 3.414 -4.409 4.234
14 HD3 LYS 2 HD3 LYS 2 4.708 -3.362 4.856
15 HE2 LYS 2 HE2 LYS 2 2.544 -2.646 6.417
16 HE3 LYS 2 HE3 LYS 2 2.294 -4.389 6.189
17 HZ1 LYS 2 HZ1 LYS 2 3.642 -3.929 8.111
18 HZ2 LYS 2 HZ2 LYS 2 4.756 -3.124 7.199
19 HZ3 LYS 2 HZ3 LYS 2 4.531 -4.744 6.986
20 H SER 3 H SER 3 6.372 -0.343 3.354
21 HA SER 3 HA SER 3 6.906 2.470 4.207
22 HB2 SER 3 HB3 SER 3 8.782 0.189 3.936
23 HB3 SER 3 HB2 SER 3 9.308 1.700 3.164
24 HG SER 3 HG SER 3 9.949 1.564 5.376
25 H GLY 4 H GLY 4 5.309 1.009 2.011
26 HA2 GLY 4 HA3 GLY 4 4.697 1.860 -0.095
27 HA3 GLY 4 HA2 GLY 4 6.171 2.848 -0.110
28 H GLY 5 H GLY 5 5.144 1.326 -2.310
29 HA2 GLY 5 HA3 GLY 5 5.860 -0.201 -3.890
30 HA3 GLY 5 HA2 GLY 5 7.487 0.166 -3.285
31 H ALA 6 H ALA 6 5.072 -1.230 -1.180
32 HA ALA 6 HA ALA 6 6.590 -3.802 -1.286
33 HB1 ALA 6 HB1 ALA 6 5.952 -4.112 1.074
34 HB2 ALA 6 HB2 ALA 6 5.136 -2.530 1.055
35 HB3 ALA 6 HB3 ALA 6 6.900 -2.625 0.833
36 H TRP 7 H TRP 7 5.415 -5.755 -0.889
37 HA TRP 7 HA TRP 7 2.877 -5.776 -2.296
38 HB2 TRP 7 HB3 TRP 7 4.872 -7.600 -1.939
39 HB3 TRP 7 HB2 TRP 7 3.681 -8.177 -0.760
40 HD1 TRP 7 HD1 TRP 7 4.442 -8.236 -4.433
41 HE1 TRP 7 HE1 TRP 7 2.545 -9.403 -5.736
42 HE3 TRP 7 HE3 TRP 7 0.957 -8.422 -0.701
43 HZ2 TRP 7 HZ2 TRP 7 -0.076 -10.278 -5.212
44 HZ3 TRP 7 HZ3 TRP 7 -1.231 -9.444 -1.178
45 HH2 TRP 7 HH2 TRP 7 -1.739 -10.362 -3.405
46 H CYS 8 H CYS 8 0.869 -5.762 -1.527
47 HA CYS 8 HA CYS 8 0.502 -6.162 1.409
48 HB2 CYS 8 HB2 CYS 8 -1.521 -4.423 0.603
49 HB3 CYS 8 HB3 CYS 8 -0.102 -4.022 1.584
50 H GLY 9 H GLY 9 -1.736 -5.441 -1.289
51 HA2 GLY 9 HA2 GLY 9 -3.299 -6.871 -2.291
52 HA3 GLY 9 HA3 GLY 9 -2.765 -8.189 -1.229
53 H PHE 10 H PHE 10 -3.277 -7.695 1.202
54 HA PHE 10 HA PHE 10 -6.114 -7.671 1.439
55 HB2 PHE 10 HB3 PHE 10 -5.732 -7.659 3.848
56 HB3 PHE 10 HB2 PHE 10 -4.624 -8.783 3.041
57 HD1 PHE 10 HD2 PHE 10 -2.238 -8.274 2.866
58 HD2 PHE 10 HD1 PHE 10 -4.896 -5.672 4.943
59 HE1 PHE 10 HE2 PHE 10 -0.320 -7.167 3.931
60 HE2 PHE 10 HE1 PHE 10 -2.980 -4.564 6.010
61 HZ PHE 10 HZ PHE 10 -0.688 -5.306 5.500
62 H ASP 11 H ASP 11 -3.663 -5.152 1.931
63 HA ASP 11 HA ASP 11 -5.890 -3.197 2.327
64 HB2 ASP 11 HB3 ASP 11 -3.148 -3.425 3.506
65 HB3 ASP 11 HB2 ASP 11 -3.787 -1.799 3.194
66 HA PRO 12 HA PRO 12 -3.975 -2.310 -1.783
67 HB2 PRO 12 HB3 PRO 12 -6.382 -1.796 -3.029
68 HB3 PRO 12 HB2 PRO 12 -5.686 -3.438 -2.890
69 HG2 PRO 12 HG3 PRO 12 -7.798 -2.097 -1.223
70 HG3 PRO 12 HG2 PRO 12 -7.751 -3.764 -1.864
71 HD2 PRO 12 HD3 PRO 12 -7.117 -3.152 0.710
72 HD3 PRO 12 HD2 PRO 12 -6.339 -4.501 -0.174
73 H HIS 13 H HIS 13 -5.706 -0.667 0.602
74 HA HIS 13 HA HIS 13 -4.937 1.935 -0.582
75 HB2 HIS 13 HB2 HIS 13 -7.175 2.875 0.156
76 HB3 HIS 13 HB3 HIS 13 -7.187 1.866 -1.301
77 HD1 HIS 13 HD1 HIS 13 -7.853 1.498 2.451
78 HD2 HIS 13 HD2 HIS 13 -9.053 -0.113 -1.215
79 HE1 HIS 13 HE1 HIS 13 -9.722 -0.135 2.975
80 HE2 HIS 13 HE2 HIS 13 -10.446 -1.111 0.742
81 H GLY 14 H GLY 14 -4.130 0.088 1.681
82 HA2 GLY 14 HA3 GLY 14 -4.747 1.867 3.986
83 HA3 GLY 14 HA2 GLY 14 -4.102 0.217 4.083
84 H CYS 15 H CYS 15 -1.906 -0.163 3.834
85 HA CYS 15 HA CYS 15 0.311 0.358 4.208
86 HB2 CYS 15 HB3 CYS 15 -0.594 1.774 1.855
87 HB3 CYS 15 HB2 CYS 15 0.664 2.707 2.683
88 H CYS 16 H CYS 16 1.813 2.589 4.379
89 HA CYS 16 HA CYS 16 0.915 3.703 6.919
90 HB2 CYS 16 HB2 CYS 16 3.359 3.161 5.837
91 HB3 CYS 16 HB3 CYS 16 3.257 4.907 5.560
92 H GLY 17 H GLY 17 1.997 5.238 3.847
93 HA2 GLY 17 HA3 GLY 17 0.536 7.678 4.621
94 HA3 GLY 17 HA2 GLY 17 1.623 7.482 3.233
95 H ASN 18 H ASN 18 0.118 8.524 1.875
96 HA ASN 18 HA ASN 18 -2.502 7.222 1.493
97 HB2 ASN 18 HB3 ASN 18 -2.942 9.051 -0.073
98 HB3 ASN 18 HB2 ASN 18 -2.353 9.677 1.479
99 HD21 ASN 18 HD21 ASN 18 -0.269 10.586 1.633
100 HD22 ASN 18 HD22 ASN 18 0.618 11.084 0.209
101 H CYS 19 H CYS 19 -0.496 5.444 0.944
102 HA CYS 19 HA CYS 19 -0.348 5.409 -2.037
103 HB2 CYS 19 HB2 CYS 19 1.236 3.738 -0.067
104 HB3 CYS 19 HB3 CYS 19 1.509 3.887 -1.811
105 H GLY 20 H GLY 20 -1.304 3.838 -3.196
106 HA2 GLY 20 HA3 GLY 20 -2.697 1.712 -1.617
107 HA3 GLY 20 HA2 GLY 20 -3.371 2.466 -3.075
108 H CYS 21 H CYS 21 -2.956 -0.351 -2.572
109 HA CYS 21 HA CYS 21 -0.653 -1.081 -4.259
110 HB2 CYS 21 HB3 CYS 21 -2.762 -2.973 -3.217
111 HB3 CYS 21 HB2 CYS 21 -1.075 -3.309 -3.640
112 H LEU 22 H LEU 22 -1.746 0.267 -6.022
113 HA LEU 22 HA LEU 22 -4.084 -0.483 -7.350
114 HB2 LEU 22 HB2 LEU 22 -3.288 0.677 -9.207
115 HB3 LEU 22 HB3 LEU 22 -2.492 1.455 -7.834
116 HG LEU 22 HG LEU 22 -1.174 -0.654 -9.558
117 HD11 LEU 22 HD11 LEU 22 -1.799 1.297 -10.927
118 HD12 LEU 22 HD12 LEU 22 -0.968 2.366 -9.773
119 HD13 LEU 22 HD13 LEU 22 -0.036 1.176 -10.714
120 HD21 LEU 22 HD21 LEU 22 0.856 0.743 -8.581
121 HD22 LEU 22 HD22 LEU 22 -0.325 1.124 -7.305
122 HD23 LEU 22 HD23 LEU 22 0.099 -0.570 -7.647
123 H VAL 23 H VAL 23 -0.987 -2.108 -7.246
124 HA VAL 23 HA VAL 23 -2.190 -4.384 -8.688
125 HB VAL 23 HB VAL 23 -0.988 -2.920 -10.390
126 HG11 VAL 23 HG11 VAL 23 0.887 -2.249 -8.940
127 HG12 VAL 23 HG12 VAL 23 1.455 -3.021 -10.439
128 HG13 VAL 23 HG13 VAL 23 1.461 -3.933 -8.911
129 HG21 VAL 23 HG21 VAL 23 -1.481 -5.305 -10.754
130 HG22 VAL 23 HG22 VAL 23 0.063 -5.737 -9.981
131 HG23 VAL 23 HG23 VAL 23 0.058 -4.825 -11.510
132 H GLY 24 H GLY 24 -1.326 -3.741 -5.924
133 HA2 GLY 24 HA3 GLY 24 -0.620 -5.580 -4.467
134 HA3 GLY 24 HA2 GLY 24 0.618 -5.992 -5.670
135 H PHE 25 H PHE 25 1.492 -3.294 -6.168
136 HA PHE 25 HA PHE 25 3.086 -2.939 -3.689
137 HB2 PHE 25 HB2 PHE 25 3.540 -1.591 -6.357
138 HB3 PHE 25 HB3 PHE 25 4.693 -1.809 -5.028
139 HD1 PHE 25 HD1 PHE 25 5.246 -4.296 -4.419
140 HD2 PHE 25 HD2 PHE 25 3.571 -3.070 -8.140
141 HE1 PHE 25 HE1 PHE 25 6.044 -6.374 -5.461
142 HE2 PHE 25 HE2 PHE 25 4.366 -5.148 -9.183
143 HZ PHE 25 HZ PHE 25 5.608 -6.801 -7.845
144 H CYS 26 H CYS 26 2.845 -1.263 -2.376
145 HA CYS 26 HA CYS 26 0.663 0.547 -2.663
146 HB2 CYS 26 HB2 CYS 26 3.015 0.286 -0.836
147 HB3 CYS 26 HB3 CYS 26 2.139 1.826 -0.846
148 H TYR 27 H TYR 27 0.442 2.451 -3.630
149 HA TYR 27 HA TYR 27 2.868 3.994 -4.358
150 HB2 TYR 27 HB3 TYR 27 2.755 3.443 -6.514
151 HB3 TYR 27 HB2 TYR 27 1.324 2.442 -6.214
152 HD1 TYR 27 HD1 TYR 27 2.394 5.938 -6.962
153 HD2 TYR 27 HD2 TYR 27 -0.807 3.125 -6.975
154 HE1 TYR 27 HE1 TYR 27 1.008 7.525 -8.221
155 HE2 TYR 27 HE2 TYR 27 -2.193 4.708 -8.241
156 HH TYR 27 HH TYR 27 -2.240 7.307 -8.508
157 H GLY 28 H GLY 28 2.596 5.975 -3.607
158 HA2 GLY 28 HA3 GLY 28 0.048 7.355 -4.120
159 HA3 GLY 28 HA2 GLY 28 0.467 7.115 -2.412
160 H THR 29 H THR 29 1.045 9.042 -1.648
161 HA THR 29 HA THR 29 3.399 10.336 -2.852
162 HB THR 29 HB THR 29 0.975 12.060 -2.294
163 HG1 THR 29 HG1 THR 29 0.467 10.543 -3.983
164 HG21 THR 29 HG21 THR 29 2.168 13.634 -3.769
165 HG22 THR 29 HG22 THR 29 3.470 12.441 -3.988
166 HG23 THR 29 HG23 THR 29 3.176 13.153 -2.383
167 H GLY 30 H GLY 30 2.724 8.891 -0.363
168 HA2 GLY 30 HA2 GLY 30 3.581 11.059 1.486
169 HA3 GLY 30 HA3 GLY 30 2.235 9.998 1.946
170 H CYS 31 H CYS 31 2.933 7.529 1.381
171 HA CYS 31 HA CYS 31 4.703 6.761 3.402
172 HB2 CYS 31 HB2 CYS 31 4.754 4.569 2.347
173 HB3 CYS 31 HB3 CYS 31 3.113 5.237 2.314
Start of MODEL 8
1 H1 CYS 1 H1 CYS 1 3.278 -1.264 9.628
2 H2 CYS 1 H2 CYS 1 2.043 -0.292 10.126
3 H3 CYS 1 H3 CYS 1 3.552 0.337 9.910
4 HA CYS 1 HA CYS 1 1.821 -0.759 7.830
5 HB2 CYS 1 HB3 CYS 1 1.977 1.670 7.017
6 HB3 CYS 1 HB2 CYS 1 0.921 1.322 8.396
7 H LYS 2 H LYS 2 2.629 -0.360 5.659
8 HA LYS 2 HA LYS 2 5.424 -1.106 5.453
9 HB2 LYS 2 HB3 LYS 2 3.654 -0.213 3.169
10 HB3 LYS 2 HB2 LYS 2 5.032 -1.327 3.133
11 HG2 LYS 2 HG2 LYS 2 2.349 -1.854 4.437
12 HG3 LYS 2 HG3 LYS 2 2.924 -2.536 2.901
13 HD2 LYS 2 HD3 LYS 2 3.747 -4.248 4.091
14 HD3 LYS 2 HD2 LYS 2 4.962 -3.116 4.722
15 HE2 LYS 2 HE3 LYS 2 4.130 -3.510 6.762
16 HE3 LYS 2 HE2 LYS 2 2.687 -2.606 6.257
17 HZ1 LYS 2 HZ1 LYS 2 2.126 -4.771 7.107
18 HZ2 LYS 2 HZ2 LYS 2 1.727 -4.670 5.510
19 HZ3 LYS 2 HZ3 LYS 2 3.066 -5.514 5.974
20 H SER 3 H SER 3 6.362 0.170 3.234
21 HA SER 3 HA SER 3 6.431 3.051 4.015
22 HB2 SER 3 HB3 SER 3 8.657 1.087 3.879
23 HB3 SER 3 HB2 SER 3 8.965 2.658 3.107
24 HG SER 3 HG SER 3 9.519 2.645 5.347
25 H GLY 4 H GLY 4 5.180 1.285 1.816
26 HA2 GLY 4 HA3 GLY 4 4.514 2.128 -0.314
27 HA3 GLY 4 HA2 GLY 4 5.988 3.115 -0.368
28 H GLY 5 H GLY 5 4.966 1.440 -2.475
29 HA2 GLY 5 HA3 GLY 5 5.699 -0.183 -3.949
30 HA3 GLY 5 HA2 GLY 5 7.322 0.250 -3.377
31 H ALA 6 H ALA 6 4.918 -1.049 -1.188
32 HA ALA 6 HA ALA 6 6.510 -3.573 -1.089
33 HB1 ALA 6 HB1 ALA 6 5.805 -3.750 1.266
34 HB2 ALA 6 HB2 ALA 6 6.711 -2.250 0.955
35 HB3 ALA 6 HB3 ALA 6 4.939 -2.203 1.117
36 H TRP 7 H TRP 7 5.444 -5.545 -0.808
37 HA TRP 7 HA TRP 7 2.918 -5.717 -2.194
38 HB2 TRP 7 HB3 TRP 7 4.982 -7.442 -1.754
39 HB3 TRP 7 HB2 TRP 7 3.799 -8.033 -0.573
40 HD1 TRP 7 HD1 TRP 7 4.626 -8.191 -4.225
41 HE1 TRP 7 HE1 TRP 7 2.795 -9.475 -5.517
42 HE3 TRP 7 HE3 TRP 7 1.080 -8.372 -0.549
43 HZ2 TRP 7 HZ2 TRP 7 0.199 -10.426 -5.008
44 HZ3 TRP 7 HZ3 TRP 7 -1.063 -9.488 -1.030
45 HH2 TRP 7 HH2 TRP 7 -1.494 -10.503 -3.229
46 H CYS 8 H CYS 8 0.897 -5.779 -1.461
47 HA CYS 8 HA CYS 8 0.496 -6.112 1.480
48 HB2 CYS 8 HB3 CYS 8 -1.575 -4.461 0.639
49 HB3 CYS 8 HB2 CYS 8 -0.153 -3.983 1.581
50 H GLY 9 H GLY 9 -1.724 -5.530 -1.267
51 HA2 GLY 9 HA3 GLY 9 -3.202 -7.058 -2.271
52 HA3 GLY 9 HA2 GLY 9 -2.654 -8.312 -1.142
53 H PHE 10 H PHE 10 -3.302 -7.922 1.203
54 HA PHE 10 HA PHE 10 -6.134 -7.885 1.357
55 HB2 PHE 10 HB2 PHE 10 -5.826 -7.879 3.781
56 HB3 PHE 10 HB3 PHE 10 -4.712 -9.017 3.003
57 HD1 PHE 10 HD2 PHE 10 -2.308 -8.509 2.889
58 HD2 PHE 10 HD1 PHE 10 -5.015 -5.927 4.928
59 HE1 PHE 10 HE2 PHE 10 -0.418 -7.419 4.017
60 HE2 PHE 10 HE1 PHE 10 -3.127 -4.837 6.057
61 HZ PHE 10 HZ PHE 10 -0.824 -5.578 5.601
62 H ASP 11 H ASP 11 -3.712 -5.361 1.965
63 HA ASP 11 HA ASP 11 -5.957 -3.424 2.339
64 HB2 ASP 11 HB3 ASP 11 -3.233 -3.657 3.546
65 HB3 ASP 11 HB2 ASP 11 -3.853 -2.026 3.222
66 HA PRO 12 HA PRO 12 -4.031 -2.485 -1.754
67 HB2 PRO 12 HB3 PRO 12 -6.438 -1.961 -2.999
68 HB3 PRO 12 HB2 PRO 12 -5.739 -3.603 -2.877
69 HG2 PRO 12 HG2 PRO 12 -7.864 -2.290 -1.205
70 HG3 PRO 12 HG3 PRO 12 -7.794 -3.950 -1.861
71 HD2 PRO 12 HD2 PRO 12 -7.178 -3.375 0.726
72 HD3 PRO 12 HD3 PRO 12 -6.386 -4.695 -0.188
73 H HIS 13 H HIS 13 -5.777 -0.870 0.644
74 HA HIS 13 HA HIS 13 -5.012 1.747 -0.514
75 HB2 HIS 13 HB2 HIS 13 -7.219 2.708 0.136
76 HB3 HIS 13 HB3 HIS 13 -7.298 1.571 -1.221
77 HD1 HIS 13 HD1 HIS 13 -7.699 1.394 2.591
78 HD2 HIS 13 HD2 HIS 13 -9.337 -0.186 -0.914
79 HE1 HIS 13 HE1 HIS 13 -9.611 -0.104 3.319
80 HE2 HIS 13 HE2 HIS 13 -10.604 -1.059 1.183
81 H GLY 14 H GLY 14 -4.187 -0.118 1.726
82 HA2 GLY 14 HA3 GLY 14 -4.829 1.604 4.061
83 HA3 GLY 14 HA2 GLY 14 -4.117 -0.020 4.119
84 H CYS 15 H CYS 15 -1.912 -0.306 3.861
85 HA CYS 15 HA CYS 15 0.284 0.299 4.237
86 HB2 CYS 15 HB2 CYS 15 -0.697 1.744 1.917
87 HB3 CYS 15 HB3 CYS 15 0.591 2.650 2.730
88 H CYS 16 H CYS 16 1.686 2.609 4.394
89 HA CYS 16 HA CYS 16 0.690 3.701 6.928
90 HB2 CYS 16 HB2 CYS 16 3.187 3.129 5.957
91 HB3 CYS 16 HB3 CYS 16 3.114 4.883 5.724
92 H GLY 17 H GLY 17 1.903 5.150 3.866
93 HA2 GLY 17 HA3 GLY 17 0.495 7.648 4.551
94 HA3 GLY 17 HA2 GLY 17 1.606 7.389 3.192
95 H ASN 18 H ASN 18 0.115 8.480 1.824
96 HA ASN 18 HA ASN 18 -2.498 7.184 1.384
97 HB2 ASN 18 HB2 ASN 18 -2.987 9.033 -0.065
98 HB3 ASN 18 HB3 ASN 18 -2.237 9.679 1.408
99 HD21 ASN 18 HD22 ASN 18 0.040 10.291 1.327
100 HD22 ASN 18 HD21 ASN 18 0.735 10.814 -0.191
101 H CYS 19 H CYS 19 -0.393 5.463 0.846
102 HA CYS 19 HA CYS 19 -0.268 5.432 -2.135
103 HB2 CYS 19 HB3 CYS 19 1.381 3.701 -0.290
104 HB3 CYS 19 HB2 CYS 19 1.686 4.134 -1.980
105 H GLY 20 H GLY 20 -1.549 4.075 -3.180
106 HA2 GLY 20 HA3 GLY 20 -2.731 1.823 -1.629
107 HA3 GLY 20 HA2 GLY 20 -3.418 2.550 -3.095
108 H CYS 21 H CYS 21 -2.987 -0.247 -2.602
109 HA CYS 21 HA CYS 21 -0.650 -0.966 -4.248
110 HB2 CYS 21 HB3 CYS 21 -2.767 -2.870 -3.247
111 HB3 CYS 21 HB2 CYS 21 -1.069 -3.193 -3.633
112 H LEU 22 H LEU 22 -1.620 0.314 -6.076
113 HA LEU 22 HA LEU 22 -3.949 -0.307 -7.450
114 HB2 LEU 22 HB2 LEU 22 -2.900 0.526 -9.430
115 HB3 LEU 22 HB3 LEU 22 -2.341 1.482 -8.053
116 HG LEU 22 HG LEU 22 -0.429 -0.540 -8.337
117 HD11 LEU 22 HD11 LEU 22 -1.386 -1.083 -10.543
118 HD12 LEU 22 HD12 LEU 22 0.253 -0.404 -10.683
119 HD13 LEU 22 HD13 LEU 22 -1.164 0.608 -11.050
120 HD21 LEU 22 HD21 LEU 22 0.945 1.408 -9.278
121 HD22 LEU 22 HD22 LEU 22 -0.540 2.376 -9.125
122 HD23 LEU 22 HD23 LEU 22 0.195 1.640 -7.681
123 H VAL 23 H VAL 23 -0.947 -2.145 -7.301
124 HA VAL 23 HA VAL 23 -2.355 -4.424 -8.543
125 HB VAL 23 HB VAL 23 -1.138 -3.163 -10.382
126 HG11 VAL 23 HG11 VAL 23 0.821 -2.492 -9.050
127 HG12 VAL 23 HG12 VAL 23 1.292 -3.397 -10.508
128 HG13 VAL 23 HG13 VAL 23 1.311 -4.198 -8.919
129 HG21 VAL 23 HG21 VAL 23 -1.763 -5.540 -10.555
130 HG22 VAL 23 HG22 VAL 23 -0.233 -5.196 -11.396
131 HG23 VAL 23 HG23 VAL 23 -0.214 -5.996 -9.807
132 H GLY 24 H GLY 24 -1.411 -3.732 -5.851
133 HA2 GLY 24 HA3 GLY 24 -0.750 -5.535 -4.331
134 HA3 GLY 24 HA2 GLY 24 0.451 -6.043 -5.534
135 H PHE 25 H PHE 25 1.290 -3.280 -6.110
136 HA PHE 25 HA PHE 25 3.006 -2.944 -3.701
137 HB2 PHE 25 HB3 PHE 25 3.404 -1.667 -6.418
138 HB3 PHE 25 HB2 PHE 25 4.585 -1.864 -5.111
139 HD1 PHE 25 HD1 PHE 25 5.190 -4.295 -4.454
140 HD2 PHE 25 HD2 PHE 25 3.314 -3.245 -8.131
141 HE1 PHE 25 HE1 PHE 25 5.946 -6.414 -5.443
142 HE2 PHE 25 HE2 PHE 25 4.066 -5.363 -9.122
143 HZ PHE 25 HZ PHE 25 5.387 -6.950 -7.781
144 H CYS 26 H CYS 26 2.692 -1.317 -2.362
145 HA CYS 26 HA CYS 26 0.595 0.577 -2.700
146 HB2 CYS 26 HB2 CYS 26 2.913 0.273 -0.822
147 HB3 CYS 26 HB3 CYS 26 2.007 1.795 -0.823
148 H TYR 27 H TYR 27 0.465 2.513 -3.628
149 HA TYR 27 HA TYR 27 2.968 3.953 -4.308
150 HB2 TYR 27 HB2 TYR 27 2.846 3.476 -6.475
151 HB3 TYR 27 HB3 TYR 27 1.395 2.494 -6.208
152 HD1 TYR 27 HD1 TYR 27 2.557 5.977 -6.872
153 HD2 TYR 27 HD2 TYR 27 -0.721 3.257 -6.968
154 HE1 TYR 27 HE1 TYR 27 1.228 7.627 -8.110
155 HE2 TYR 27 HE2 TYR 27 -2.052 4.903 -8.211
156 HH TYR 27 HH TYR 27 -2.025 7.507 -8.426
157 H GLY 28 H GLY 28 2.777 5.921 -3.499
158 HA2 GLY 28 HA3 GLY 28 0.314 7.443 -4.024
159 HA3 GLY 28 HA2 GLY 28 0.681 7.137 -2.315
160 H THR 29 H THR 29 1.315 9.027 -1.502
161 HA THR 29 HA THR 29 3.779 10.213 -2.586
162 HB THR 29 HB THR 29 1.416 12.049 -2.131
163 HG1 THR 29 HG1 THR 29 0.934 10.582 -3.868
164 HG21 THR 29 HG21 THR 29 2.762 13.585 -3.512
165 HG22 THR 29 HG22 THR 29 4.019 12.335 -3.675
166 HG23 THR 29 HG23 THR 29 3.666 13.039 -2.079
167 H GLY 30 H GLY 30 2.968 8.779 -0.157
168 HA2 GLY 30 HA2 GLY 30 3.994 10.790 1.741
169 HA3 GLY 30 HA3 GLY 30 2.410 10.084 2.117
170 H CYS 31 H CYS 31 4.543 7.998 0.433
171 HA CYS 31 HA CYS 31 5.214 6.636 3.009
172 HB2 CYS 31 HB2 CYS 31 4.973 5.246 0.343
173 HB3 CYS 31 HB3 CYS 31 4.949 4.537 1.966
Start of MODEL 9
1 H1 CYS 1 H1 CYS 1 2.763 -1.201 9.221
2 H2 CYS 1 H2 CYS 1 1.827 -0.063 9.961
3 H3 CYS 1 H3 CYS 1 3.441 0.207 9.749
4 HA CYS 1 HA CYS 1 1.436 -0.039 7.641
5 HB2 CYS 1 HB2 CYS 1 1.696 2.296 7.289
6 HB3 CYS 1 HB3 CYS 1 1.387 2.066 9.018
7 H LYS 2 H LYS 2 2.188 0.128 5.531
8 HA LYS 2 HA LYS 2 4.790 -1.019 5.074
9 HB2 LYS 2 HB3 LYS 2 2.871 0.291 3.118
10 HB3 LYS 2 HB2 LYS 2 4.259 -0.727 2.696
11 HG2 LYS 2 HG3 LYS 2 1.753 -1.578 4.170
12 HG3 LYS 2 HG2 LYS 2 2.253 -2.041 2.529
13 HD2 LYS 2 HD2 LYS 2 3.157 -3.855 3.489
14 HD3 LYS 2 HD3 LYS 2 4.443 -2.764 4.046
15 HE2 LYS 2 HE3 LYS 2 2.473 -2.380 5.942
16 HE3 LYS 2 HE2 LYS 2 2.301 -4.105 5.556
17 HZ1 LYS 2 HZ1 LYS 2 3.866 -3.744 7.329
18 HZ2 LYS 2 HZ2 LYS 2 4.802 -2.780 6.373
19 HZ3 LYS 2 HZ3 LYS 2 4.636 -4.382 6.017
20 H SER 3 H SER 3 6.358 -0.049 3.492
21 HA SER 3 HA SER 3 6.702 2.860 4.099
22 HB2 SER 3 HB3 SER 3 8.574 0.555 4.263
23 HB3 SER 3 HB2 SER 3 9.229 2.042 3.543
24 HG SER 3 HG SER 3 9.477 1.981 5.837
25 H GLY 4 H GLY 4 5.450 1.278 1.779
26 HA2 GLY 4 HA2 GLY 4 5.217 2.169 -0.421
27 HA3 GLY 4 HA3 GLY 4 6.853 2.848 -0.311
28 H GLY 5 H GLY 5 5.601 1.205 -2.426
29 HA2 GLY 5 HA3 GLY 5 6.124 -0.622 -3.744
30 HA3 GLY 5 HA2 GLY 5 7.779 -0.369 -3.154
31 H ALA 6 H ALA 6 5.189 -1.147 -0.937
32 HA ALA 6 HA ALA 6 6.475 -3.803 -0.521
33 HB1 ALA 6 HB1 ALA 6 5.485 -3.722 1.736
34 HB2 ALA 6 HB2 ALA 6 6.541 -2.324 1.425
35 HB3 ALA 6 HB3 ALA 6 4.773 -2.135 1.360
36 H TRP 7 H TRP 7 5.402 -5.623 -0.886
37 HA TRP 7 HA TRP 7 2.933 -5.640 -2.272
38 HB2 TRP 7 HB2 TRP 7 4.865 -7.468 -1.809
39 HB3 TRP 7 HB3 TRP 7 3.641 -8.043 -0.663
40 HD1 TRP 7 HD1 TRP 7 4.503 -8.044 -4.335
41 HE1 TRP 7 HE1 TRP 7 2.677 -9.267 -5.687
42 HE3 TRP 7 HE3 TRP 7 0.959 -8.418 -0.672
43 HZ2 TRP 7 HZ2 TRP 7 0.081 -10.245 -5.227
44 HZ3 TRP 7 HZ3 TRP 7 -1.180 -9.513 -1.206
45 HH2 TRP 7 HH2 TRP 7 -1.610 -10.418 -3.453
46 H CYS 8 H CYS 8 0.850 -5.724 -1.693
47 HA CYS 8 HA CYS 8 0.250 -6.019 1.219
48 HB2 CYS 8 HB2 CYS 8 -1.778 -4.432 0.307
49 HB3 CYS 8 HB3 CYS 8 -0.339 -3.851 1.161
50 H GLY 9 H GLY 9 -1.896 -5.468 -1.571
51 HA2 GLY 9 HA3 GLY 9 -3.429 -6.900 -2.579
52 HA3 GLY 9 HA2 GLY 9 -2.677 -8.260 -1.724
53 H PHE 10 H PHE 10 -3.056 -8.084 0.789
54 HA PHE 10 HA PHE 10 -5.746 -8.643 1.276
55 HB2 PHE 10 HB3 PHE 10 -5.232 -8.412 3.651
56 HB3 PHE 10 HB2 PHE 10 -3.916 -9.239 2.800
57 HD1 PHE 10 HD1 PHE 10 -4.919 -6.118 4.474
58 HD2 PHE 10 HD2 PHE 10 -1.743 -8.232 2.579
59 HE1 PHE 10 HE1 PHE 10 -3.309 -4.487 5.359
60 HE2 PHE 10 HE2 PHE 10 -0.129 -6.606 3.466
61 HZ PHE 10 HZ PHE 10 -0.909 -4.727 4.853
62 H ASP 11 H ASP 11 -4.073 -5.538 1.334
63 HA ASP 11 HA ASP 11 -6.707 -4.196 1.419
64 HB2 ASP 11 HB3 ASP 11 -5.658 -4.427 3.788
65 HB3 ASP 11 HB2 ASP 11 -4.504 -3.203 3.224
66 HA PRO 12 HA PRO 12 -4.415 -2.116 -1.789
67 HB2 PRO 12 HB3 PRO 12 -6.550 -0.598 -2.656
68 HB3 PRO 12 HB2 PRO 12 -6.335 -2.319 -3.093
69 HG2 PRO 12 HG2 PRO 12 -8.059 -1.076 -0.967
70 HG3 PRO 12 HG3 PRO 12 -8.432 -2.401 -2.106
71 HD2 PRO 12 HD2 PRO 12 -7.749 -2.855 0.490
72 HD3 PRO 12 HD3 PRO 12 -7.328 -3.984 -0.835
73 H HIS 13 H HIS 13 -5.789 -0.897 1.070
74 HA HIS 13 HA HIS 13 -4.459 1.737 0.608
75 HB2 HIS 13 HB3 HIS 13 -7.185 1.120 1.695
76 HB3 HIS 13 HB2 HIS 13 -6.287 2.491 2.367
77 HD1 HIS 13 HD1 HIS 13 -6.186 4.619 1.016
78 HD2 HIS 13 HD2 HIS 13 -7.777 1.397 -1.122
79 HE1 HIS 13 HE1 HIS 13 -7.102 5.585 -1.144
80 HE2 HIS 13 HE2 HIS 13 -8.065 3.624 -2.437
81 H GLY 14 H GLY 14 -3.710 -0.917 1.926
82 HA2 GLY 14 HA2 GLY 14 -3.508 -0.122 4.753
83 HA3 GLY 14 HA3 GLY 14 -2.971 -1.657 4.042
84 H CYS 15 H CYS 15 -2.227 1.848 3.873
85 HA CYS 15 HA CYS 15 0.643 1.146 4.195
86 HB2 CYS 15 HB3 CYS 15 -0.281 3.191 2.166
87 HB3 CYS 15 HB2 CYS 15 1.344 2.524 2.397
88 H CYS 16 H CYS 16 1.972 2.912 4.917
89 HA CYS 16 HA CYS 16 0.871 4.365 7.050
90 HB2 CYS 16 HB2 CYS 16 3.405 4.072 5.802
91 HB3 CYS 16 HB3 CYS 16 3.103 5.811 5.952
92 H GLY 17 H GLY 17 1.954 5.753 3.910
93 HA2 GLY 17 HA3 GLY 17 0.317 8.141 4.466
94 HA3 GLY 17 HA2 GLY 17 1.456 7.918 3.123
95 H ASN 18 H ASN 18 -0.051 8.744 1.638
96 HA ASN 18 HA ASN 18 -2.584 7.274 1.292
97 HB2 ASN 18 HB3 ASN 18 -3.119 8.946 -0.367
98 HB3 ASN 18 HB2 ASN 18 -2.476 9.755 1.075
99 HD21 ASN 18 HD22 ASN 18 -0.259 10.517 1.050
100 HD22 ASN 18 HD21 ASN 18 0.490 10.949 -0.471
101 H CYS 19 H CYS 19 -0.472 5.567 0.958
102 HA CYS 19 HA CYS 19 0.049 5.363 -1.944
103 HB2 CYS 19 HB2 CYS 19 1.029 3.850 0.483
104 HB3 CYS 19 HB3 CYS 19 1.361 3.300 -1.167
105 H GLY 20 H GLY 20 -1.006 4.063 -3.299
106 HA2 GLY 20 HA3 GLY 20 -2.943 2.145 -2.072
107 HA3 GLY 20 HA2 GLY 20 -3.186 2.976 -3.620
108 H CYS 21 H CYS 21 -3.244 0.104 -2.986
109 HA CYS 21 HA CYS 21 -0.822 -0.941 -4.308
110 HB2 CYS 21 HB2 CYS 21 -3.291 -2.431 -3.375
111 HB3 CYS 21 HB3 CYS 21 -1.723 -3.131 -3.810
112 H LEU 22 H LEU 22 -1.576 0.494 -6.214
113 HA LEU 22 HA LEU 22 -3.745 -0.005 -7.846
114 HB2 LEU 22 HB3 LEU 22 -2.453 0.786 -9.686
115 HB3 LEU 22 HB2 LEU 22 -1.929 1.654 -8.238
116 HG LEU 22 HG LEU 22 -0.431 -0.727 -9.332
117 HD11 LEU 22 HD11 LEU 22 -0.560 1.022 -11.063
118 HD12 LEU 22 HD12 LEU 22 1.088 0.856 -10.412
119 HD13 LEU 22 HD13 LEU 22 0.061 2.215 -9.896
120 HD21 LEU 22 HD21 LEU 22 1.399 0.787 -8.087
121 HD22 LEU 22 HD22 LEU 22 -0.041 1.277 -7.162
122 HD23 LEU 22 HD23 LEU 22 0.426 -0.439 -7.239
123 H VAL 23 H VAL 23 -0.846 -1.998 -7.457
124 HA VAL 23 HA VAL 23 -2.252 -4.144 -8.968
125 HB VAL 23 HB VAL 23 0.718 -3.566 -9.229
126 HG11 VAL 23 HG11 VAL 23 -0.008 -5.130 -11.349
127 HG12 VAL 23 HG12 VAL 23 -1.078 -5.751 -10.070
128 HG13 VAL 23 HG13 VAL 23 0.686 -5.740 -9.828
129 HG21 VAL 23 HG21 VAL 23 -0.720 -3.285 -11.698
130 HG22 VAL 23 HG22 VAL 23 -1.460 -2.231 -10.469
131 HG23 VAL 23 HG23 VAL 23 0.276 -2.087 -10.837
132 H GLY 24 H GLY 24 -1.247 -3.233 -6.069
133 HA2 GLY 24 HA2 GLY 24 -1.392 -5.026 -4.359
134 HA3 GLY 24 HA3 GLY 24 -0.299 -5.983 -5.377
135 H PHE 25 H PHE 25 0.616 -2.771 -5.527
136 HA PHE 25 HA PHE 25 2.483 -3.082 -3.216
137 HB2 PHE 25 HB2 PHE 25 3.384 -1.683 -5.704
138 HB3 PHE 25 HB3 PHE 25 4.338 -2.529 -4.473
139 HD1 PHE 25 HD1 PHE 25 2.331 -2.900 -7.523
140 HD2 PHE 25 HD2 PHE 25 4.632 -4.944 -4.576
141 HE1 PHE 25 HE1 PHE 25 2.413 -4.885 -8.967
142 HE2 PHE 25 HE2 PHE 25 4.718 -6.929 -6.020
143 HZ PHE 25 HZ PHE 25 3.602 -6.908 -8.215
144 H CYS 26 H CYS 26 2.605 -1.392 -1.897
145 HA CYS 26 HA CYS 26 0.812 0.750 -1.989
146 HB2 CYS 26 HB3 CYS 26 3.501 0.438 -0.640
147 HB3 CYS 26 HB2 CYS 26 2.509 1.892 -0.440
148 H TYR 27 H TYR 27 0.629 2.511 -3.182
149 HA TYR 27 HA TYR 27 3.042 3.874 -4.180
150 HB2 TYR 27 HB3 TYR 27 2.913 2.756 -6.147
151 HB3 TYR 27 HB2 TYR 27 1.231 2.268 -5.876
152 HD1 TYR 27 HD2 TYR 27 3.165 5.419 -6.562
153 HD2 TYR 27 HD1 TYR 27 -0.359 3.145 -7.315
154 HE1 TYR 27 HE2 TYR 27 2.405 7.128 -8.151
155 HE2 TYR 27 HE1 TYR 27 -1.118 4.849 -8.912
156 HH TYR 27 HH TYR 27 0.816 7.133 -10.227
157 H GLY 28 H GLY 28 2.720 5.869 -3.461
158 HA2 GLY 28 HA3 GLY 28 0.263 7.258 -4.297
159 HA3 GLY 28 HA2 GLY 28 0.513 7.115 -2.546
160 H THR 29 H THR 29 1.183 8.980 -1.752
161 HA THR 29 HA THR 29 3.594 10.216 -2.908
162 HB THR 29 HB THR 29 1.194 11.994 -2.419
163 HG1 THR 29 HG1 THR 29 0.695 10.478 -4.110
164 HG21 THR 29 HG21 THR 29 2.453 13.534 -3.874
165 HG22 THR 29 HG22 THR 29 3.416 13.042 -2.460
166 HG23 THR 29 HG23 THR 29 3.737 12.314 -4.052
167 H GLY 30 H GLY 30 2.892 8.796 -0.437
168 HA2 GLY 30 HA2 GLY 30 3.708 10.971 1.422
169 HA3 GLY 30 HA3 GLY 30 2.357 9.909 1.863
170 H CYS 31 H CYS 31 3.100 7.437 1.257
171 HA CYS 31 HA CYS 31 5.007 6.805 3.297
172 HB2 CYS 31 HB3 CYS 31 4.626 4.545 2.747
173 HB3 CYS 31 HB2 CYS 31 3.090 5.369 2.432
Start of MODEL 10
1 H1 CYS 1 H1 CYS 1 2.872 -1.136 9.880
2 H2 CYS 1 H2 CYS 1 3.375 0.420 10.092
3 H3 CYS 1 H3 CYS 1 1.782 0.037 10.274
4 HA CYS 1 HA CYS 1 1.572 -0.521 7.996
5 HB2 CYS 1 HB2 CYS 1 2.170 1.815 7.078
6 HB3 CYS 1 HB3 CYS 1 0.966 1.697 8.372
7 H LYS 2 H LYS 2 2.531 -0.229 5.824
8 HA LYS 2 HA LYS 2 5.162 -1.466 5.764
9 HB2 LYS 2 HB2 LYS 2 3.644 -0.348 3.400
10 HB3 LYS 2 HB3 LYS 2 4.838 -1.657 3.417
11 HG2 LYS 2 HG3 LYS 2 2.075 -1.756 4.668
12 HG3 LYS 2 HG2 LYS 2 2.549 -2.497 3.125
13 HD2 LYS 2 HD2 LYS 2 2.870 -4.328 4.426
14 HD3 LYS 2 HD3 LYS 2 4.442 -3.560 4.734
15 HE2 LYS 2 HE3 LYS 2 3.954 -3.225 6.899
16 HE3 LYS 2 HE2 LYS 2 2.364 -2.539 6.507
17 HZ1 LYS 2 HZ1 LYS 2 2.171 -4.540 7.807
18 HZ2 LYS 2 HZ2 LYS 2 2.990 -5.414 6.673
19 HZ3 LYS 2 HZ3 LYS 2 1.514 -4.772 6.312
20 H SER 3 H SER 3 6.380 -0.414 3.553
21 HA SER 3 HA SER 3 7.009 2.379 4.417
22 HB2 SER 3 HB2 SER 3 8.785 0.044 3.820
23 HB3 SER 3 HB3 SER 3 9.341 1.659 3.329
24 HG SER 3 HG SER 3 9.992 1.108 5.472
25 H GLY 4 H GLY 4 5.336 0.918 2.187
26 HA2 GLY 4 HA2 GLY 4 4.635 1.937 0.169
27 HA3 GLY 4 HA3 GLY 4 6.152 2.855 0.110
28 H GLY 5 H GLY 5 4.892 1.395 -2.049
29 HA2 GLY 5 HA3 GLY 5 5.425 -0.159 -3.680
30 HA3 GLY 5 HA2 GLY 5 7.105 0.205 -3.240
31 H ALA 6 H ALA 6 4.504 -1.428 -1.411
32 HA ALA 6 HA ALA 6 6.125 -3.922 -1.506
33 HB1 ALA 6 HB1 ALA 6 5.733 -4.279 0.902
34 HB2 ALA 6 HB2 ALA 6 4.958 -2.680 1.006
35 HB3 ALA 6 HB3 ALA 6 6.686 -2.808 0.596
36 H TRP 7 H TRP 7 4.984 -5.845 -1.300
37 HA TRP 7 HA TRP 7 2.333 -5.805 -2.371
38 HB2 TRP 7 HB3 TRP 7 4.326 -7.701 -2.010
39 HB3 TRP 7 HB2 TRP 7 3.048 -8.242 -0.908
40 HD1 TRP 7 HD1 TRP 7 3.816 -7.840 -4.639
41 HE1 TRP 7 HE1 TRP 7 1.993 -9.032 -6.025
42 HE3 TRP 7 HE3 TRP 7 0.558 -8.917 -0.851
43 HZ2 TRP 7 HZ2 TRP 7 -0.488 -10.262 -5.538
44 HZ3 TRP 7 HZ3 TRP 7 -1.528 -10.108 -1.390
45 HH2 TRP 7 HH2 TRP 7 -2.042 -10.773 -3.705
46 H CYS 8 H CYS 8 0.400 -5.646 -1.461
47 HA CYS 8 HA CYS 8 0.256 -5.893 1.515
48 HB2 CYS 8 HB2 CYS 8 -1.799 -4.352 1.179
49 HB3 CYS 8 HB3 CYS 8 -0.176 -3.643 1.135
50 H GLY 9 H GLY 9 -1.748 -6.088 -1.463
51 HA2 GLY 9 HA3 GLY 9 -3.327 -7.674 -2.064
52 HA3 GLY 9 HA2 GLY 9 -2.731 -8.698 -0.743
53 H PHE 10 H PHE 10 -3.533 -8.321 1.416
54 HA PHE 10 HA PHE 10 -6.361 -8.052 1.481
55 HB2 PHE 10 HB3 PHE 10 -6.109 -8.068 3.933
56 HB3 PHE 10 HB2 PHE 10 -5.142 -9.330 3.150
57 HD1 PHE 10 HD2 PHE 10 -5.019 -6.149 4.988
58 HD2 PHE 10 HD1 PHE 10 -2.728 -9.247 3.171
59 HE1 PHE 10 HE2 PHE 10 -3.004 -5.328 6.131
60 HE2 PHE 10 HE1 PHE 10 -0.712 -8.428 4.311
61 HZ PHE 10 HZ PHE 10 -0.849 -6.471 5.800
62 H ASP 11 H ASP 11 -3.748 -5.750 2.124
63 HA ASP 11 HA ASP 11 -5.821 -3.634 2.527
64 HB2 ASP 11 HB2 ASP 11 -3.247 -4.212 3.830
65 HB3 ASP 11 HB3 ASP 11 -3.423 -2.521 3.323
66 HA PRO 12 HA PRO 12 -3.838 -2.845 -1.577
67 HB2 PRO 12 HB2 PRO 12 -6.200 -2.184 -2.841
68 HB3 PRO 12 HB3 PRO 12 -5.606 -3.864 -2.690
69 HG2 PRO 12 HG3 PRO 12 -7.644 -2.405 -1.035
70 HG3 PRO 12 HG2 PRO 12 -7.694 -4.065 -1.691
71 HD2 PRO 12 HD2 PRO 12 -7.041 -3.533 0.897
72 HD3 PRO 12 HD3 PRO 12 -6.330 -4.901 -0.014
73 H HIS 13 H HIS 13 -5.496 -1.120 0.809
74 HA HIS 13 HA HIS 13 -4.588 1.444 -0.374
75 HB2 HIS 13 HB3 HIS 13 -7.372 1.004 0.754
76 HB3 HIS 13 HB2 HIS 13 -6.688 2.555 0.237
77 HD1 HIS 13 HD1 HIS 13 -6.136 2.779 -2.381
78 HD2 HIS 13 HD2 HIS 13 -8.526 -0.466 -1.266
79 HE1 HIS 13 HE1 HIS 13 -7.245 1.952 -4.507
80 HE2 HIS 13 HE2 HIS 13 -8.692 -0.020 -3.823
81 H GLY 14 H GLY 14 -3.852 -0.482 1.870
82 HA2 GLY 14 HA2 GLY 14 -4.401 1.147 4.256
83 HA3 GLY 14 HA3 GLY 14 -3.518 -0.391 4.202
84 H CYS 15 H CYS 15 -1.312 -0.410 3.885
85 HA CYS 15 HA CYS 15 0.820 0.427 4.169
86 HB2 CYS 15 HB3 CYS 15 -0.312 1.561 1.854
87 HB3 CYS 15 HB2 CYS 15 0.500 2.897 2.688
88 H CYS 16 H CYS 16 1.986 2.839 4.384
89 HA CYS 16 HA CYS 16 0.882 3.795 6.945
90 HB2 CYS 16 HB2 CYS 16 3.433 3.322 6.072
91 HB3 CYS 16 HB3 CYS 16 3.312 5.076 5.858
92 H GLY 17 H GLY 17 2.125 5.307 3.926
93 HA2 GLY 17 HA2 GLY 17 0.648 7.764 4.613
94 HA3 GLY 17 HA3 GLY 17 1.787 7.553 3.269
95 H ASN 18 H ASN 18 0.254 8.644 1.923
96 HA ASN 18 HA ASN 18 -2.309 7.274 1.426
97 HB2 ASN 18 HB2 ASN 18 -1.230 9.602 -0.160
98 HB3 ASN 18 HB3 ASN 18 -2.918 9.153 0.156
99 HD21 ASN 18 HD21 ASN 18 0.045 10.516 1.564
100 HD22 ASN 18 HD22 ASN 18 -0.741 11.358 2.881
101 H CYS 19 H CYS 19 -0.332 5.525 0.878
102 HA CYS 19 HA CYS 19 0.063 5.638 -2.071
103 HB2 CYS 19 HB3 CYS 19 1.360 3.949 0.090
104 HB3 CYS 19 HB2 CYS 19 1.636 3.724 -1.645
105 H GLY 20 H GLY 20 -1.188 4.479 -3.367
106 HA2 GLY 20 HA3 GLY 20 -2.872 2.368 -2.124
107 HA3 GLY 20 HA2 GLY 20 -3.180 3.181 -3.671
108 H CYS 21 H CYS 21 -3.091 0.309 -3.004
109 HA CYS 21 HA CYS 21 -0.662 -0.636 -4.385
110 HB2 CYS 21 HB3 CYS 21 -3.033 -2.179 -3.281
111 HB3 CYS 21 HB2 CYS 21 -1.524 -2.875 -3.894
112 H LEU 22 H LEU 22 -1.437 0.673 -6.320
113 HA LEU 22 HA LEU 22 -3.666 0.060 -7.872
114 HB2 LEU 22 HB2 LEU 22 -2.554 1.013 -9.684
115 HB3 LEU 22 HB3 LEU 22 -1.844 1.801 -8.271
116 HG LEU 22 HG LEU 22 -0.559 -0.529 -9.713
117 HD11 LEU 22 HD11 LEU 22 -0.819 1.385 -11.243
118 HD12 LEU 22 HD12 LEU 22 0.886 1.110 -10.812
119 HD13 LEU 22 HD13 LEU 22 -0.021 2.439 -10.052
120 HD21 LEU 22 HD21 LEU 22 1.478 0.726 -8.569
121 HD22 LEU 22 HD22 LEU 22 0.489 -0.447 -7.668
122 HD23 LEU 22 HD23 LEU 22 0.204 1.298 -7.466
123 H VAL 23 H VAL 23 -0.713 -1.797 -7.420
124 HA VAL 23 HA VAL 23 -1.996 -4.040 -8.875
125 HB VAL 23 HB VAL 23 0.321 -4.579 -9.853
126 HG11 VAL 23 HG11 VAL 23 -1.620 -3.868 -11.192
127 HG12 VAL 23 HG12 VAL 23 -1.181 -2.166 -10.915
128 HG13 VAL 23 HG13 VAL 23 -0.094 -3.224 -11.846
129 HG21 VAL 23 HG21 VAL 23 2.020 -3.121 -9.704
130 HG22 VAL 23 HG22 VAL 23 0.968 -1.726 -10.041
131 HG23 VAL 23 HG23 VAL 23 1.089 -2.370 -8.387
132 H GLY 24 H GLY 24 -1.336 -3.245 -6.032
133 HA2 GLY 24 HA2 GLY 24 -1.098 -5.023 -4.373
134 HA3 GLY 24 HA3 GLY 24 0.153 -5.755 -5.396
135 H PHE 25 H PHE 25 1.369 -3.104 -5.971
136 HA PHE 25 HA PHE 25 2.887 -2.902 -3.423
137 HB2 PHE 25 HB2 PHE 25 3.775 -1.453 -5.865
138 HB3 PHE 25 HB3 PHE 25 4.725 -2.331 -4.654
139 HD1 PHE 25 HD1 PHE 25 4.283 -4.964 -4.659
140 HD2 PHE 25 HD2 PHE 25 3.608 -2.372 -7.972
141 HE1 PHE 25 HE1 PHE 25 4.449 -6.878 -6.187
142 HE2 PHE 25 HE2 PHE 25 3.773 -4.287 -9.503
143 HZ PHE 25 HZ PHE 25 4.200 -6.542 -8.614
144 H CYS 26 H CYS 26 2.836 -1.163 -2.164
145 HA CYS 26 HA CYS 26 0.864 0.841 -2.466
146 HB2 CYS 26 HB2 CYS 26 3.413 0.753 -0.835
147 HB3 CYS 26 HB3 CYS 26 2.239 2.074 -0.717
148 H TYR 27 H TYR 27 0.731 2.632 -3.627
149 HA TYR 27 HA TYR 27 3.174 4.086 -4.395
150 HB2 TYR 27 HB2 TYR 27 3.296 3.078 -6.393
151 HB3 TYR 27 HB3 TYR 27 1.684 2.359 -6.238
152 HD1 TYR 27 HD1 TYR 27 3.320 5.670 -6.909
153 HD2 TYR 27 HD2 TYR 27 -0.007 3.118 -7.660
154 HE1 TYR 27 HE1 TYR 27 2.458 7.281 -8.549
155 HE2 TYR 27 HE2 TYR 27 -0.873 4.726 -9.301
156 HH TYR 27 HH TYR 27 0.193 6.580 -10.803
157 H GLY 28 H GLY 28 2.705 6.063 -3.707
158 HA2 GLY 28 HA3 GLY 28 0.299 7.370 -4.781
159 HA3 GLY 28 HA2 GLY 28 0.359 7.209 -3.015
160 H THR 29 H THR 29 0.944 9.029 -2.072
161 HA THR 29 HA THR 29 3.377 10.402 -3.002
162 HB THR 29 HB THR 29 0.883 12.071 -2.617
163 HG1 THR 29 HG1 THR 29 0.559 10.611 -4.396
164 HG21 THR 29 HG21 THR 29 2.181 13.713 -3.918
165 HG22 THR 29 HG22 THR 29 3.518 12.547 -4.054
166 HG23 THR 29 HG23 THR 29 3.062 13.196 -2.461
167 H GLY 30 H GLY 30 2.490 8.856 -0.641
168 HA2 GLY 30 HA3 GLY 30 2.978 11.010 1.373
169 HA3 GLY 30 HA2 GLY 30 1.802 9.713 1.660
170 H CYS 31 H CYS 31 2.780 7.430 1.287
171 HA CYS 31 HA CYS 31 4.661 6.943 3.300
172 HB2 CYS 31 HB2 CYS 31 4.843 4.717 2.439
173 HB3 CYS 31 HB3 CYS 31 3.167 5.251 2.228
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