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 |
|
|
547311 |
2lur   |
18536 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 1.807 0.001 0.856
2 HA CYS 1 HA CYS 1 1.814 0.877 -1.804
3 HB2 CYS 1 HB2 CYS 1 3.836 -0.702 -0.212
4 HB3 CYS 1 HB3 CYS 1 4.143 -0.133 -1.850
5 H GLY 2 H GLY 2 1.388 -2.293 -0.417
6 HA2 GLY 2 HA2 GLY 2 0.280 -4.040 -1.586
7 HA3 GLY 2 HA3 GLY 2 0.814 -3.327 -3.101
8 H GLU 3 H GLU 3 2.646 -4.220 -0.189
9 HA GLU 3 HA GLU 3 4.025 -6.294 -1.729
10 HB2 GLU 3 HB2 GLU 3 5.299 -3.915 -0.408
11 HB3 GLU 3 HB3 GLU 3 6.191 -5.416 -0.611
12 HG2 GLU 3 HG2 GLU 3 6.791 -4.142 -2.457
13 HG3 GLU 3 HG3 GLU 3 5.568 -5.249 -3.079
14 H THR 4 H THR 4 5.794 -7.264 -0.056
15 HA THR 4 HA THR 4 4.609 -7.531 2.599
16 HB THR 4 HB THR 4 3.504 -9.348 1.607
17 HG1 THR 4 HG1 THR 4 4.948 -11.212 2.350
18 HG21 THR 4 HG21 THR 4 4.265 -9.788 -0.483
19 HG22 THR 4 HG22 THR 4 5.158 -11.061 0.349
20 HG23 THR 4 HG23 THR 4 5.952 -9.535 -0.038
21 H CYS 5 H CYS 5 6.154 -7.443 4.086
22 HA CYS 5 HA CYS 5 8.918 -8.022 3.272
23 HB2 CYS 5 HB2 CYS 5 9.535 -6.690 5.305
24 HB3 CYS 5 HB3 CYS 5 8.667 -5.774 4.077
25 H VAL 6 H VAL 6 8.000 -10.338 3.568
26 HA VAL 6 HA VAL 6 7.461 -11.435 6.062
27 HB VAL 6 HB VAL 6 8.975 -12.817 3.845
28 HG11 VAL 6 HG11 VAL 6 7.607 -14.783 4.813
29 HG12 VAL 6 HG12 VAL 6 9.041 -14.237 5.684
30 HG13 VAL 6 HG13 VAL 6 7.436 -13.757 6.236
31 HG21 VAL 6 HG21 VAL 6 6.238 -11.833 3.968
32 HG22 VAL 6 HG22 VAL 6 7.171 -12.414 2.588
33 HG23 VAL 6 HG23 VAL 6 6.333 -13.562 3.632
34 H GLY 7 H GLY 7 10.464 -10.364 4.709
35 HA2 GLY 7 HA2 GLY 7 12.107 -11.829 6.588
36 HA3 GLY 7 HA3 GLY 7 12.661 -10.639 5.420
37 H GLY 8 H GLY 8 10.420 -8.845 6.576
38 HA2 GLY 8 HA2 GLY 8 10.111 -7.523 8.504
39 HA3 GLY 8 HA3 GLY 8 11.582 -8.205 9.181
40 H THR 9 H THR 9 11.360 -6.886 5.940
41 HA THR 9 HA THR 9 12.750 -4.453 6.796
42 HB THR 9 HB THR 9 14.606 -5.811 6.214
43 HG1 THR 9 HG1 THR 9 15.434 -4.624 4.520
44 HG21 THR 9 HG21 THR 9 14.245 -7.634 4.975
45 HG22 THR 9 HG22 THR 9 14.293 -6.586 3.558
46 HG23 THR 9 HG23 THR 9 12.749 -6.970 4.319
47 H CYS 10 H CYS 10 11.282 -2.983 6.164
48 HA CYS 10 HA CYS 10 10.742 -2.738 3.321
49 HB2 CYS 10 HB2 CYS 10 8.852 -3.980 4.921
50 HB3 CYS 10 HB3 CYS 10 8.287 -2.315 4.842
51 H ASN 11 H ASN 11 12.268 -1.258 5.307
52 HA ASN 11 HA ASN 11 10.820 1.115 5.985
53 HB2 ASN 11 HB2 ASN 11 13.680 0.244 6.150
54 HB3 ASN 11 HB3 ASN 11 13.292 1.952 6.335
55 HD21 ASN 11 HD21 ASN 11 13.329 -1.117 7.801
56 HD22 ASN 11 HD22 ASN 11 12.641 -0.660 9.318
57 H THR 12 H THR 12 9.945 1.758 3.961
58 HA THR 12 HA THR 12 11.911 2.881 2.076
59 HB THR 12 HB THR 12 9.599 2.976 0.672
60 HG1 THR 12 HG1 THR 12 8.792 0.682 1.137
61 HG21 THR 12 HG21 THR 12 10.634 0.348 0.317
62 HG22 THR 12 HG22 THR 12 11.980 1.428 0.681
63 HG23 THR 12 HG23 THR 12 10.907 1.780 -0.674
64 HA PRO 13 HA PRO 13 10.557 6.980 2.869
65 HB2 PRO 13 HB2 PRO 13 10.662 8.097 0.397
66 HB3 PRO 13 HB3 PRO 13 12.107 7.680 1.325
67 HG2 PRO 13 HG2 PRO 13 10.777 6.169 -0.891
68 HG3 PRO 13 HG3 PRO 13 12.504 6.460 -0.615
69 HD2 PRO 13 HD2 PRO 13 11.300 4.121 0.027
70 HD3 PRO 13 HD3 PRO 13 12.666 4.778 0.952
71 H GLY 14 H GLY 14 8.372 6.413 3.470
72 HA2 GLY 14 HA2 GLY 14 6.236 7.560 3.058
73 HA3 GLY 14 HA3 GLY 14 6.418 7.116 1.368
74 H CYS 15 H CYS 15 7.499 4.575 3.189
75 HA CYS 15 HA CYS 15 4.860 3.361 3.530
76 HB2 CYS 15 HB2 CYS 15 6.360 2.842 1.271
77 HB3 CYS 15 HB3 CYS 15 6.786 1.508 2.338
78 H THR 16 H THR 16 4.820 1.584 4.965
79 HA THR 16 HA THR 16 7.272 1.248 6.567
80 HB THR 16 HB THR 16 5.692 0.841 8.526
81 HG1 THR 16 HG1 THR 16 3.823 0.817 6.934
82 HG21 THR 16 HG21 THR 16 5.344 3.303 8.901
83 HG22 THR 16 HG22 THR 16 5.938 3.568 7.262
84 HG23 THR 16 HG23 THR 16 6.992 2.844 8.476
85 H CYS 17 H CYS 17 7.382 -0.791 7.773
86 HA CYS 17 HA CYS 17 6.490 -2.991 6.112
87 HB2 CYS 17 HB2 CYS 17 8.800 -2.949 6.949
88 HB3 CYS 17 HB3 CYS 17 8.204 -2.977 8.606
89 H SER 18 H SER 18 5.114 -4.626 6.712
90 HA SER 18 HA SER 18 3.862 -4.495 9.354
91 HB2 SER 18 HB2 SER 18 2.488 -3.161 7.705
92 HB3 SER 18 HB3 SER 18 2.214 -4.663 6.823
93 HG SER 18 HG SER 18 0.557 -4.721 8.157
94 H TRP 19 H TRP 19 5.654 -6.368 8.830
95 HA TRP 19 HA TRP 19 5.239 -8.647 7.498
96 HB2 TRP 19 HB2 TRP 19 7.058 -8.259 9.163
97 HB3 TRP 19 HB3 TRP 19 5.908 -8.618 10.448
98 HD1 TRP 19 HD1 TRP 19 8.230 -10.270 8.009
99 HE1 TRP 19 HE1 TRP 19 8.104 -12.826 8.284
100 HE3 TRP 19 HE3 TRP 19 4.124 -10.558 11.042
101 HZ2 TRP 19 HZ2 TRP 19 6.478 -14.714 9.611
102 HZ3 TRP 19 HZ3 TRP 19 3.348 -12.777 11.768
103 HH2 TRP 19 HH2 TRP 19 4.502 -14.811 11.066
104 HA PRO 20 HA PRO 20 5.165 -10.806 7.387
105 HB2 PRO 20 HB2 PRO 20 3.487 -12.130 5.713
106 HB3 PRO 20 HB3 PRO 20 3.968 -12.764 7.291
107 HG2 PRO 20 HG2 PRO 20 1.453 -11.342 6.507
108 HG3 PRO 20 HG3 PRO 20 1.655 -12.770 7.538
109 HD2 PRO 20 HD2 PRO 20 1.269 -10.287 8.548
110 HD3 PRO 20 HD3 PRO 20 2.248 -11.513 9.378
111 H VAL 21 H VAL 21 2.179 -9.252 6.279
112 HA VAL 21 HA VAL 21 3.097 -8.665 3.661
113 HB VAL 21 HB VAL 21 1.185 -7.238 3.443
114 HG11 VAL 21 HG11 VAL 21 0.438 -9.554 5.224
115 HG12 VAL 21 HG12 VAL 21 -0.603 -8.746 4.050
116 HG13 VAL 21 HG13 VAL 21 0.792 -9.675 3.501
117 HG21 VAL 21 HG21 VAL 21 -0.241 -6.686 5.397
118 HG22 VAL 21 HG22 VAL 21 0.996 -7.371 6.451
119 HG23 VAL 21 HG23 VAL 21 1.360 -5.950 5.471
120 H CYS 22 H CYS 22 2.673 -6.033 3.196
121 HA CYS 22 HA CYS 22 4.288 -4.451 5.017
122 HB2 CYS 22 HB2 CYS 22 6.041 -5.406 3.690
123 HB3 CYS 22 HB3 CYS 22 5.163 -5.088 2.198
124 H GLY 23 H GLY 23 3.873 -2.280 4.889
125 HA2 GLY 23 HA2 GLY 23 3.052 -0.675 2.908
126 HA3 GLY 23 HA3 GLY 23 1.566 -1.532 3.290
127 H HIS 24 H HIS 24 0.361 -0.875 4.982
128 HA HIS 24 HA HIS 24 1.545 0.959 6.934
129 HB2 HIS 24 HB2 HIS 24 -1.087 1.555 5.579
130 HB3 HIS 24 HB3 HIS 24 -0.199 2.586 6.698
131 HD1 HIS 24 HD1 HIS 24 1.366 4.237 5.683
132 HD2 HIS 24 HD2 HIS 24 0.279 1.250 3.007
133 HE1 HIS 24 HE1 HIS 24 2.342 4.928 3.471
134 H PHE 25 H PHE 25 -0.658 1.613 8.383
135 HA PHE 25 HA PHE 25 -1.552 -1.010 9.368
136 HB2 PHE 25 HB2 PHE 25 -0.251 0.180 11.016
137 HB3 PHE 25 HB3 PHE 25 -1.225 1.631 10.802
138 HD1 PHE 25 HD2 PHE 25 -3.445 1.793 11.755
139 HD2 PHE 25 HD1 PHE 25 -1.069 -1.698 12.289
140 HE1 PHE 25 HE2 PHE 25 -4.944 1.053 13.560
141 HE2 PHE 25 HE1 PHE 25 -2.565 -2.444 14.094
142 HZ PHE 25 HZ PHE 25 -4.505 -1.068 14.733
143 H ARG 26 H ARG 26 -2.597 2.085 8.206
144 HA ARG 26 HA ARG 26 -5.353 1.675 9.007
145 HB2 ARG 26 HB2 ARG 26 -4.031 3.932 8.784
146 HB3 ARG 26 HB3 ARG 26 -4.488 3.805 7.090
147 HG2 ARG 26 HG2 ARG 26 -6.603 3.490 9.155
148 HG3 ARG 26 HG3 ARG 26 -5.977 5.105 8.817
149 HD2 ARG 26 HD2 ARG 26 -6.676 5.031 6.582
150 HD3 ARG 26 HD3 ARG 26 -6.878 3.280 6.614
151 HE ARG 26 HE ARG 26 -8.974 3.564 7.509
152 HH11 ARG 26 HH11 ARG 26 -7.228 6.573 7.648
153 HH12 ARG 26 HH12 ARG 26 -8.611 7.505 8.116
154 HH21 ARG 26 HH21 ARG 26 -10.803 4.780 8.126
155 HH22 ARG 26 HH22 ARG 26 -10.644 6.484 8.389
156 H TRP 27 H TRP 27 -3.522 1.879 5.965
157 HA TRP 27 HA TRP 27 -5.832 0.832 4.511
158 HB2 TRP 27 HB2 TRP 27 -3.182 1.686 3.344
159 HB3 TRP 27 HB3 TRP 27 -4.720 1.499 2.507
160 HD1 TRP 27 HD1 TRP 27 -6.694 3.237 3.986
161 HE1 TRP 27 HE1 TRP 27 -6.389 5.778 4.261
162 HE3 TRP 27 HE3 TRP 27 -1.642 3.530 3.259
163 HZ2 TRP 27 HZ2 TRP 27 -4.284 7.658 4.180
164 HZ3 TRP 27 HZ3 TRP 27 -0.561 5.737 3.374
165 HH2 TRP 27 HH2 TRP 27 -1.856 7.757 3.824
166 H GLY 28 H GLY 28 -2.321 0.212 4.315
167 HA2 GLY 28 HA2 GLY 28 -1.390 -1.961 4.810
168 HA3 GLY 28 HA3 GLY 28 -2.927 -2.673 4.342
169 H VAL 29 H VAL 29 -1.312 -0.149 2.520
170 HA VAL 29 HA VAL 29 -0.313 -2.067 0.568
171 HB VAL 29 HB VAL 29 -1.400 -0.730 -1.297
172 HG11 VAL 29 HG11 VAL 29 -3.127 -2.375 0.548
173 HG12 VAL 29 HG12 VAL 29 -3.535 -1.969 -1.121
174 HG13 VAL 29 HG13 VAL 29 -2.124 -2.971 -0.775
175 HG21 VAL 29 HG21 VAL 29 -2.803 0.949 -0.868
176 HG22 VAL 29 HG22 VAL 29 -3.684 0.005 0.333
177 HG23 VAL 29 HG23 VAL 29 -2.227 0.883 0.798
Start of MODEL 2
1 H1 CYS 1 H CYS 1 1.666 -0.127 0.867
2 HA CYS 1 HA CYS 1 2.505 0.305 -1.869
3 HB2 CYS 1 HB2 CYS 1 3.852 -0.711 0.618
4 HB3 CYS 1 HB3 CYS 1 4.616 -0.905 -0.956
5 H GLY 2 H GLY 2 1.229 -2.265 0.052
6 HA2 GLY 2 HA2 GLY 2 0.666 -4.431 -0.457
7 HA3 GLY 2 HA3 GLY 2 0.727 -3.935 -2.142
8 H GLU 3 H GLU 3 3.371 -3.974 0.209
9 HA GLU 3 HA GLU 3 4.784 -5.853 -1.561
10 HB2 GLU 3 HB2 GLU 3 5.701 -3.591 0.165
11 HB3 GLU 3 HB3 GLU 3 6.804 -4.924 -0.149
12 HG2 GLU 3 HG2 GLU 3 5.428 -3.365 -2.318
13 HG3 GLU 3 HG3 GLU 3 7.022 -2.962 -1.683
14 H THR 4 H THR 4 6.671 -6.939 -0.132
15 HA THR 4 HA THR 4 5.238 -8.374 1.992
16 HB THR 4 HB THR 4 7.529 -9.815 1.586
17 HG1 THR 4 HG1 THR 4 7.999 -9.812 -0.569
18 HG21 THR 4 HG21 THR 4 6.098 -11.335 0.248
19 HG22 THR 4 HG22 THR 4 4.881 -10.062 0.154
20 HG23 THR 4 HG23 THR 4 5.307 -10.763 1.715
21 H CYS 5 H CYS 5 6.097 -8.636 4.028
22 HA CYS 5 HA CYS 5 8.652 -7.329 4.624
23 HB2 CYS 5 HB2 CYS 5 6.272 -6.062 5.139
24 HB3 CYS 5 HB3 CYS 5 6.594 -6.873 6.668
25 H VAL 6 H VAL 6 7.465 -10.126 4.504
26 HA VAL 6 HA VAL 6 7.132 -11.279 6.983
27 HB VAL 6 HB VAL 6 6.812 -12.579 4.981
28 HG11 VAL 6 HG11 VAL 6 8.587 -13.258 3.523
29 HG12 VAL 6 HG12 VAL 6 8.649 -11.502 3.686
30 HG13 VAL 6 HG13 VAL 6 9.796 -12.512 4.567
31 HG21 VAL 6 HG21 VAL 6 7.853 -14.638 5.633
32 HG22 VAL 6 HG22 VAL 6 9.117 -13.778 6.511
33 HG23 VAL 6 HG23 VAL 6 7.453 -13.735 7.095
34 H GLY 7 H GLY 7 10.152 -10.474 5.324
35 HA2 GLY 7 HA2 GLY 7 11.716 -11.499 7.567
36 HA3 GLY 7 HA3 GLY 7 12.353 -10.900 6.042
37 H GLY 8 H GLY 8 10.126 -8.683 6.933
38 HA2 GLY 8 HA2 GLY 8 10.229 -6.592 7.877
39 HA3 GLY 8 HA3 GLY 8 11.372 -7.267 9.030
40 H THR 9 H THR 9 11.403 -6.567 5.531
41 HA THR 9 HA THR 9 13.616 -4.721 5.912
42 HB THR 9 HB THR 9 14.760 -6.879 5.670
43 HG1 THR 9 HG1 THR 9 16.143 -6.178 4.060
44 HG21 THR 9 HG21 THR 9 13.743 -7.105 2.864
45 HG22 THR 9 HG22 THR 9 12.810 -7.786 4.196
46 HG23 THR 9 HG23 THR 9 14.456 -8.341 3.899
47 H CYS 10 H CYS 10 11.032 -4.158 5.123
48 HA CYS 10 HA CYS 10 11.411 -3.460 2.287
49 HB2 CYS 10 HB2 CYS 10 8.929 -3.598 2.039
50 HB3 CYS 10 HB3 CYS 10 9.693 -5.148 2.377
51 H ASN 11 H ASN 11 12.398 -1.681 3.903
52 HA ASN 11 HA ASN 11 10.370 0.247 4.705
53 HB2 ASN 11 HB2 ASN 11 13.324 0.753 4.862
54 HB3 ASN 11 HB3 ASN 11 12.040 1.335 5.918
55 HD21 ASN 11 HD21 ASN 11 14.212 -1.247 5.202
56 HD22 ASN 11 HD22 ASN 11 13.894 -2.189 6.615
57 H THR 12 H THR 12 9.674 1.789 3.395
58 HA THR 12 HA THR 12 11.462 2.740 1.253
59 HB THR 12 HB THR 12 8.924 3.227 0.286
60 HG1 THR 12 HG1 THR 12 8.835 0.516 1.010
61 HG21 THR 12 HG21 THR 12 10.196 2.445 -1.390
62 HG22 THR 12 HG22 THR 12 9.615 0.851 -0.908
63 HG23 THR 12 HG23 THR 12 11.163 1.445 -0.307
64 HA PRO 13 HA PRO 13 10.719 6.848 2.608
65 HB2 PRO 13 HB2 PRO 13 10.650 8.214 0.263
66 HB3 PRO 13 HB3 PRO 13 12.139 7.545 0.941
67 HG2 PRO 13 HG2 PRO 13 10.371 6.438 -1.207
68 HG3 PRO 13 HG3 PRO 13 12.141 6.511 -1.142
69 HD2 PRO 13 HD2 PRO 13 10.754 4.258 -0.569
70 HD3 PRO 13 HD3 PRO 13 12.293 4.658 0.220
71 H GLY 14 H GLY 14 8.597 6.552 3.470
72 HA2 GLY 14 HA2 GLY 14 6.579 7.941 3.443
73 HA3 GLY 14 HA3 GLY 14 6.485 7.638 1.714
74 H CYS 15 H CYS 15 7.466 4.819 3.101
75 HA CYS 15 HA CYS 15 4.698 3.868 3.450
76 HB2 CYS 15 HB2 CYS 15 6.371 3.150 1.388
77 HB3 CYS 15 HB3 CYS 15 6.635 1.855 2.552
78 H THR 16 H THR 16 4.457 1.987 4.828
79 HA THR 16 HA THR 16 6.592 1.803 6.854
80 HB THR 16 HB THR 16 3.935 1.012 7.779
81 HG1 THR 16 HG1 THR 16 4.388 3.737 7.061
82 HG21 THR 16 HG21 THR 16 6.275 2.582 8.719
83 HG22 THR 16 HG22 THR 16 5.387 1.286 9.520
84 HG23 THR 16 HG23 THR 16 4.715 2.915 9.470
85 H CYS 17 H CYS 17 5.890 -0.286 8.321
86 HA CYS 17 HA CYS 17 5.688 -2.522 6.410
87 HB2 CYS 17 HB2 CYS 17 7.944 -2.366 7.308
88 HB3 CYS 17 HB3 CYS 17 7.316 -2.344 8.953
89 H SER 18 H SER 18 4.410 -4.256 6.937
90 HA SER 18 HA SER 18 3.026 -4.226 9.518
91 HB2 SER 18 HB2 SER 18 1.773 -3.931 6.824
92 HB3 SER 18 HB3 SER 18 0.922 -4.883 8.039
93 HG SER 18 HG SER 18 1.621 -2.154 8.089
94 H TRP 19 H TRP 19 4.896 -5.962 9.340
95 HA TRP 19 HA TRP 19 4.872 -8.267 7.968
96 HB2 TRP 19 HB2 TRP 19 6.410 -7.760 9.848
97 HB3 TRP 19 HB3 TRP 19 5.116 -8.141 10.982
98 HD1 TRP 19 HD1 TRP 19 7.864 -9.731 9.013
99 HE1 TRP 19 HE1 TRP 19 7.818 -12.283 9.344
100 HE3 TRP 19 HE3 TRP 19 3.320 -10.169 11.314
101 HZ2 TRP 19 HZ2 TRP 19 6.085 -14.225 10.436
102 HZ3 TRP 19 HZ3 TRP 19 2.541 -12.409 11.970
103 HH2 TRP 19 HH2 TRP 19 3.896 -14.394 11.539
104 HA PRO 20 HA PRO 20 4.988 -10.428 7.884
105 HB2 PRO 20 HB2 PRO 20 3.685 -11.891 6.005
106 HB3 PRO 20 HB3 PRO 20 3.977 -12.478 7.647
107 HG2 PRO 20 HG2 PRO 20 1.500 -11.267 6.481
108 HG3 PRO 20 HG3 PRO 20 1.661 -12.669 7.555
109 HD2 PRO 20 HD2 PRO 20 0.935 -10.221 8.455
110 HD3 PRO 20 HD3 PRO 20 1.876 -11.360 9.439
111 H VAL 21 H VAL 21 2.069 -9.233 6.245
112 HA VAL 21 HA VAL 21 3.262 -8.582 3.794
113 HB VAL 21 HB VAL 21 1.342 -7.193 3.356
114 HG11 VAL 21 HG11 VAL 21 0.730 -9.699 4.903
115 HG12 VAL 21 HG12 VAL 21 -0.501 -8.790 4.024
116 HG13 VAL 21 HG13 VAL 21 0.861 -9.500 3.156
117 HG21 VAL 21 HG21 VAL 21 1.280 -5.966 5.461
118 HG22 VAL 21 HG22 VAL 21 -0.301 -6.657 5.095
119 HG23 VAL 21 HG23 VAL 21 0.735 -7.417 6.304
120 H CYS 22 H CYS 22 3.014 -6.073 3.102
121 HA CYS 22 HA CYS 22 4.455 -4.440 5.073
122 HB2 CYS 22 HB2 CYS 22 5.933 -5.558 3.247
123 HB3 CYS 22 HB3 CYS 22 5.222 -4.361 2.170
124 H GLY 23 H GLY 23 4.415 -2.115 4.568
125 HA2 GLY 23 HA2 GLY 23 3.404 -0.427 3.014
126 HA3 GLY 23 HA3 GLY 23 1.948 -1.409 3.101
127 H HIS 24 H HIS 24 0.602 -1.245 4.861
128 HA HIS 24 HA HIS 24 1.396 0.397 7.123
129 HB2 HIS 24 HB2 HIS 24 -1.033 1.133 5.480
130 HB3 HIS 24 HB3 HIS 24 -0.428 1.969 6.907
131 HD1 HIS 24 HD1 HIS 24 1.617 3.513 6.599
132 HD2 HIS 24 HD2 HIS 24 0.333 1.685 3.096
133 HE1 HIS 24 HE1 HIS 24 2.800 4.721 4.737
134 H PHE 25 H PHE 25 -0.763 0.681 8.547
135 HA PHE 25 HA PHE 25 -1.782 -2.053 8.875
136 HB2 PHE 25 HB2 PHE 25 -0.610 -1.168 10.816
137 HB3 PHE 25 HB3 PHE 25 -1.654 0.250 10.832
138 HD1 PHE 25 HD1 PHE 25 -1.635 -3.428 11.256
139 HD2 PHE 25 HD2 PHE 25 -3.697 0.226 11.971
140 HE1 PHE 25 HE1 PHE 25 -3.199 -4.606 12.745
141 HE2 PHE 25 HE2 PHE 25 -5.264 -0.946 13.462
142 HZ PHE 25 HZ PHE 25 -5.016 -3.365 13.851
143 H ARG 26 H ARG 26 -2.745 1.238 8.304
144 HA ARG 26 HA ARG 26 -5.551 0.729 8.776
145 HB2 ARG 26 HB2 ARG 26 -4.173 2.973 9.005
146 HB3 ARG 26 HB3 ARG 26 -4.581 3.139 7.302
147 HG2 ARG 26 HG2 ARG 26 -7.003 2.693 8.074
148 HG3 ARG 26 HG3 ARG 26 -6.391 3.099 9.679
149 HD2 ARG 26 HD2 ARG 26 -5.420 5.195 8.504
150 HD3 ARG 26 HD3 ARG 26 -6.585 4.817 7.236
151 HE ARG 26 HE ARG 26 -7.775 4.883 9.835
152 HH11 ARG 26 HH11 ARG 26 -6.718 6.848 7.162
153 HH12 ARG 26 HH12 ARG 26 -7.811 8.145 7.514
154 HH21 ARG 26 HH21 ARG 26 -9.218 6.585 10.309
155 HH22 ARG 26 HH22 ARG 26 -9.231 7.995 9.305
156 H TRP 27 H TRP 27 -3.773 1.888 5.906
157 HA TRP 27 HA TRP 27 -5.880 0.943 4.169
158 HB2 TRP 27 HB2 TRP 27 -3.208 2.075 3.337
159 HB3 TRP 27 HB3 TRP 27 -4.698 2.023 2.398
160 HD1 TRP 27 HD1 TRP 27 -6.781 3.340 4.208
161 HE1 TRP 27 HE1 TRP 27 -6.582 5.796 4.954
162 HE3 TRP 27 HE3 TRP 27 -1.754 3.989 3.536
163 HZ2 TRP 27 HZ2 TRP 27 -4.562 7.749 5.222
164 HZ3 TRP 27 HZ3 TRP 27 -0.768 6.181 4.060
165 HH2 TRP 27 HH2 TRP 27 -2.144 8.021 4.885
166 H GLY 28 H GLY 28 -2.346 0.457 4.014
167 HA2 GLY 28 HA2 GLY 28 -1.264 -1.655 3.998
168 HA3 GLY 28 HA3 GLY 28 -2.803 -2.410 3.609
169 H VAL 29 H VAL 29 -1.135 0.314 2.056
170 HA VAL 29 HA VAL 29 -0.817 -1.328 -0.360
171 HB VAL 29 HB VAL 29 -1.817 1.519 -0.427
172 HG11 VAL 29 HG11 VAL 29 -2.253 -0.223 -2.730
173 HG12 VAL 29 HG12 VAL 29 -1.628 1.426 -2.656
174 HG13 VAL 29 HG13 VAL 29 -0.551 0.059 -2.367
175 HG21 VAL 29 HG21 VAL 29 -3.251 -0.967 0.006
176 HG22 VAL 29 HG22 VAL 29 -3.811 0.699 0.149
177 HG23 VAL 29 HG23 VAL 29 -3.822 -0.103 -1.421
Start of MODEL 3
1 H1 CYS 1 H CYS 1 1.023 0.283 0.317
2 HA CYS 1 HA CYS 1 2.534 0.626 -1.950
3 HB2 CYS 1 HB2 CYS 1 3.325 -0.994 0.481
4 HB3 CYS 1 HB3 CYS 1 4.428 -0.265 -0.683
5 H GLY 2 H GLY 2 1.190 -2.349 -0.659
6 HA2 GLY 2 HA2 GLY 2 0.983 -4.443 -1.576
7 HA3 GLY 2 HA3 GLY 2 1.265 -3.681 -3.134
8 H GLU 3 H GLU 3 3.047 -4.694 -0.219
9 HA GLU 3 HA GLU 3 5.024 -5.982 -1.928
10 HB2 GLU 3 HB2 GLU 3 5.611 -3.708 -0.055
11 HB3 GLU 3 HB3 GLU 3 6.836 -4.918 -0.407
12 HG2 GLU 3 HG2 GLU 3 5.428 -3.251 -2.479
13 HG3 GLU 3 HG3 GLU 3 7.018 -2.895 -1.805
14 H THR 4 H THR 4 6.832 -6.880 -0.254
15 HA THR 4 HA THR 4 5.293 -8.323 1.803
16 HB THR 4 HB THR 4 7.554 -9.825 1.468
17 HG1 THR 4 HG1 THR 4 8.125 -9.837 -0.634
18 HG21 THR 4 HG21 THR 4 5.302 -10.712 1.590
19 HG22 THR 4 HG22 THR 4 6.110 -11.353 0.159
20 HG23 THR 4 HG23 THR 4 4.927 -10.056 -0.003
21 H CYS 5 H CYS 5 6.284 -8.760 3.814
22 HA CYS 5 HA CYS 5 8.824 -7.488 4.422
23 HB2 CYS 5 HB2 CYS 5 6.920 -5.782 4.707
24 HB3 CYS 5 HB3 CYS 5 6.426 -6.753 6.091
25 H VAL 6 H VAL 6 7.718 -10.208 4.372
26 HA VAL 6 HA VAL 6 7.090 -11.244 6.861
27 HB VAL 6 HB VAL 6 8.781 -12.570 4.736
28 HG11 VAL 6 HG11 VAL 6 8.902 -14.314 6.102
29 HG12 VAL 6 HG12 VAL 6 7.998 -13.432 7.335
30 HG13 VAL 6 HG13 VAL 6 7.141 -14.402 6.136
31 HG21 VAL 6 HG21 VAL 6 5.870 -12.073 5.002
32 HG22 VAL 6 HG22 VAL 6 6.875 -12.171 3.556
33 HG23 VAL 6 HG23 VAL 6 6.373 -13.646 4.383
34 H GLY 7 H GLY 7 10.235 -10.401 5.518
35 HA2 GLY 7 HA2 GLY 7 11.671 -11.510 7.774
36 HA3 GLY 7 HA3 GLY 7 12.366 -10.619 6.428
37 H GLY 8 H GLY 8 10.008 -8.634 7.191
38 HA2 GLY 8 HA2 GLY 8 9.706 -6.902 8.733
39 HA3 GLY 8 HA3 GLY 8 11.116 -7.472 9.615
40 H THR 9 H THR 9 11.805 -7.267 6.347
41 HA THR 9 HA THR 9 13.087 -4.644 6.741
42 HB THR 9 HB THR 9 14.803 -6.241 6.423
43 HG1 THR 9 HG1 THR 9 14.463 -5.336 3.768
44 HG21 THR 9 HG21 THR 9 14.540 -7.520 4.034
45 HG22 THR 9 HG22 THR 9 12.866 -7.471 4.588
46 HG23 THR 9 HG23 THR 9 14.107 -8.217 5.594
47 H CYS 10 H CYS 10 11.329 -3.417 6.004
48 HA CYS 10 HA CYS 10 11.129 -3.278 3.110
49 HB2 CYS 10 HB2 CYS 10 9.310 -4.849 3.960
50 HB3 CYS 10 HB3 CYS 10 8.597 -3.441 4.742
51 H ASN 11 H ASN 11 12.417 -1.503 4.693
52 HA ASN 11 HA ASN 11 10.611 0.695 5.304
53 HB2 ASN 11 HB2 ASN 11 13.596 0.359 5.648
54 HB3 ASN 11 HB3 ASN 11 12.725 1.832 6.065
55 HD21 ASN 11 HD21 ASN 11 13.778 1.229 8.164
56 HD22 ASN 11 HD22 ASN 11 12.870 0.223 9.235
57 H THR 12 H THR 12 9.997 1.995 3.715
58 HA THR 12 HA THR 12 12.001 2.838 1.733
59 HB THR 12 HB THR 12 9.626 2.984 0.337
60 HG1 THR 12 HG1 THR 12 8.893 1.512 2.182
61 HG21 THR 12 HG21 THR 12 11.177 0.478 0.053
62 HG22 THR 12 HG22 THR 12 12.081 1.986 -0.092
63 HG23 THR 12 HG23 THR 12 10.715 1.670 -1.162
64 HA PRO 13 HA PRO 13 10.715 6.962 2.510
65 HB2 PRO 13 HB2 PRO 13 10.923 8.092 0.050
66 HB3 PRO 13 HB3 PRO 13 12.329 7.636 1.020
67 HG2 PRO 13 HG2 PRO 13 11.035 6.170 -1.247
68 HG3 PRO 13 HG3 PRO 13 12.759 6.419 -0.915
69 HD2 PRO 13 HD2 PRO 13 11.483 4.105 -0.327
70 HD3 PRO 13 HD3 PRO 13 12.833 4.724 0.645
71 H GLY 14 H GLY 14 8.500 6.442 3.038
72 HA2 GLY 14 HA2 GLY 14 6.405 7.639 2.567
73 HA3 GLY 14 HA3 GLY 14 6.630 7.203 0.880
74 H CYS 15 H CYS 15 7.595 4.624 2.713
75 HA CYS 15 HA CYS 15 4.906 3.454 2.847
76 HB2 CYS 15 HB2 CYS 15 7.254 2.475 1.282
77 HB3 CYS 15 HB3 CYS 15 6.193 1.286 2.031
78 H THR 16 H THR 16 4.649 1.787 4.368
79 HA THR 16 HA THR 16 6.852 1.564 6.314
80 HB THR 16 HB THR 16 4.421 0.894 7.595
81 HG1 THR 16 HG1 THR 16 3.065 2.506 7.098
82 HG21 THR 16 HG21 THR 16 5.576 3.574 8.052
83 HG22 THR 16 HG22 THR 16 6.689 2.216 8.214
84 HG23 THR 16 HG23 THR 16 5.226 2.280 9.197
85 H CYS 17 H CYS 17 6.285 -0.427 7.854
86 HA CYS 17 HA CYS 17 6.016 -2.728 6.051
87 HB2 CYS 17 HB2 CYS 17 8.124 -2.604 7.280
88 HB3 CYS 17 HB3 CYS 17 7.250 -2.528 8.806
89 H SER 18 H SER 18 4.635 -4.425 6.499
90 HA SER 18 HA SER 18 2.878 -4.199 8.827
91 HB2 SER 18 HB2 SER 18 1.824 -3.047 6.823
92 HB3 SER 18 HB3 SER 18 1.751 -4.635 6.058
93 HG SER 18 HG SER 18 0.107 -5.122 7.272
94 H TRP 19 H TRP 19 4.813 -6.003 8.793
95 HA TRP 19 HA TRP 19 4.778 -8.374 7.574
96 HB2 TRP 19 HB2 TRP 19 6.182 -7.800 9.553
97 HB3 TRP 19 HB3 TRP 19 4.797 -8.133 10.590
98 HD1 TRP 19 HD1 TRP 19 7.658 -9.814 8.858
99 HE1 TRP 19 HE1 TRP 19 7.557 -12.353 9.269
100 HE3 TRP 19 HE3 TRP 19 2.973 -10.124 10.880
101 HZ2 TRP 19 HZ2 TRP 19 5.733 -14.238 10.312
102 HZ3 TRP 19 HZ3 TRP 19 2.124 -12.333 11.557
103 HH2 TRP 19 HH2 TRP 19 3.477 -14.346 11.278
104 HA PRO 20 HA PRO 20 4.814 -10.535 7.591
105 HB2 PRO 20 HB2 PRO 20 3.588 -12.037 5.690
106 HB3 PRO 20 HB3 PRO 20 3.744 -12.556 7.372
107 HG2 PRO 20 HG2 PRO 20 1.401 -11.315 5.983
108 HG3 PRO 20 HG3 PRO 20 1.435 -12.670 7.125
109 HD2 PRO 20 HD2 PRO 20 0.742 -10.159 7.864
110 HD3 PRO 20 HD3 PRO 20 1.569 -11.284 8.961
111 H VAL 21 H VAL 21 2.069 -9.251 5.744
112 HA VAL 21 HA VAL 21 3.514 -8.745 3.362
113 HB VAL 21 HB VAL 21 1.630 -7.429 2.650
114 HG11 VAL 21 HG11 VAL 21 0.350 -9.566 4.304
115 HG12 VAL 21 HG12 VAL 21 0.016 -9.085 2.639
116 HG13 VAL 21 HG13 VAL 21 1.479 -9.995 3.019
117 HG21 VAL 21 HG21 VAL 21 -0.224 -6.899 4.204
118 HG22 VAL 21 HG22 VAL 21 0.765 -7.487 5.540
119 HG23 VAL 21 HG23 VAL 21 1.280 -6.075 4.617
120 H CYS 22 H CYS 22 3.113 -6.189 2.620
121 HA CYS 22 HA CYS 22 4.498 -4.546 4.628
122 HB2 CYS 22 HB2 CYS 22 6.103 -5.429 2.925
123 HB3 CYS 22 HB3 CYS 22 5.179 -4.592 1.682
124 H GLY 23 H GLY 23 4.159 -2.283 4.458
125 HA2 GLY 23 HA2 GLY 23 2.982 -0.683 2.723
126 HA3 GLY 23 HA3 GLY 23 1.591 -1.634 3.221
127 H HIS 24 H HIS 24 0.627 -1.239 5.169
128 HA HIS 24 HA HIS 24 1.897 0.577 7.056
129 HB2 HIS 24 HB2 HIS 24 -0.840 1.213 5.948
130 HB3 HIS 24 HB3 HIS 24 0.113 2.183 7.067
131 HD1 HIS 24 HD1 HIS 24 1.820 3.768 6.077
132 HD2 HIS 24 HD2 HIS 24 0.094 1.263 3.248
133 HE1 HIS 24 HE1 HIS 24 2.560 4.663 3.846
134 H PHE 25 H PHE 25 -0.203 1.111 8.706
135 HA PHE 25 HA PHE 25 -0.912 -1.576 9.655
136 HB2 PHE 25 HB2 PHE 25 0.379 -0.295 11.252
137 HB3 PHE 25 HB3 PHE 25 -0.734 1.062 11.121
138 HD1 PHE 25 HD1 PHE 25 -0.220 -2.288 12.491
139 HD2 PHE 25 HD2 PHE 25 -2.879 1.025 12.220
140 HE1 PHE 25 HE1 PHE 25 -1.544 -3.203 14.353
141 HE2 PHE 25 HE2 PHE 25 -4.206 0.116 14.082
142 HZ PHE 25 HZ PHE 25 -3.539 -2.000 15.151
143 H ARG 26 H ARG 26 -2.228 1.263 8.313
144 HA ARG 26 HA ARG 26 -4.926 0.631 9.271
145 HB2 ARG 26 HB2 ARG 26 -3.953 2.999 9.347
146 HB3 ARG 26 HB3 ARG 26 -4.144 3.010 7.599
147 HG2 ARG 26 HG2 ARG 26 -6.531 2.688 7.822
148 HG3 ARG 26 HG3 ARG 26 -6.371 2.568 9.576
149 HD2 ARG 26 HD2 ARG 26 -5.370 4.888 9.513
150 HD3 ARG 26 HD3 ARG 26 -5.887 4.970 7.829
151 HE ARG 26 HE ARG 26 -8.015 4.253 9.601
152 HH11 ARG 26 HH11 ARG 26 -6.187 6.922 8.314
153 HH12 ARG 26 HH12 ARG 26 -7.455 8.077 8.557
154 HH21 ARG 26 HH21 ARG 26 -9.692 5.764 9.925
155 HH22 ARG 26 HH22 ARG 26 -9.448 7.418 9.474
156 H TRP 27 H TRP 27 -3.580 1.790 6.178
157 HA TRP 27 HA TRP 27 -5.594 0.232 4.757
158 HB2 TRP 27 HB2 TRP 27 -3.541 2.089 3.552
159 HB3 TRP 27 HB3 TRP 27 -5.046 1.529 2.829
160 HD1 TRP 27 HD1 TRP 27 -7.057 2.191 5.170
161 HE1 TRP 27 HE1 TRP 27 -7.594 4.641 5.747
162 HE3 TRP 27 HE3 TRP 27 -2.928 4.426 3.146
163 HZ2 TRP 27 HZ2 TRP 27 -6.424 7.185 5.390
164 HZ3 TRP 27 HZ3 TRP 27 -2.714 6.872 3.306
165 HH2 TRP 27 HH2 TRP 27 -4.426 8.221 4.405
166 H GLY 28 H GLY 28 -2.142 0.864 4.103
167 HA2 GLY 28 HA2 GLY 28 -0.423 -0.620 3.661
168 HA3 GLY 28 HA3 GLY 28 -1.502 -1.939 4.089
169 H VAL 29 H VAL 29 -0.757 0.371 1.507
170 HA VAL 29 HA VAL 29 -1.261 -1.731 -0.452
171 HB VAL 29 HB VAL 29 -2.536 0.993 -0.727
172 HG11 VAL 29 HG11 VAL 29 -2.562 -1.482 -2.437
173 HG12 VAL 29 HG12 VAL 29 -3.735 -0.176 -2.616
174 HG13 VAL 29 HG13 VAL 29 -2.018 0.137 -2.874
175 HG21 VAL 29 HG21 VAL 29 -4.679 -0.222 -0.459
176 HG22 VAL 29 HG22 VAL 29 -3.769 -1.667 -0.019
177 HG23 VAL 29 HG23 VAL 29 -3.689 -0.231 1.001
Start of MODEL 4
1 H1 CYS 1 H CYS 1 1.221 -0.303 0.767
2 HA CYS 1 HA CYS 1 1.884 0.448 -1.728
3 HB2 CYS 1 HB2 CYS 1 3.427 -0.873 0.443
4 HB3 CYS 1 HB3 CYS 1 4.190 -0.787 -1.141
5 H GLY 2 H GLY 2 1.271 -2.813 -0.695
6 HA2 GLY 2 HA2 GLY 2 0.690 -4.585 -2.116
7 HA3 GLY 2 HA3 GLY 2 1.353 -3.687 -3.473
8 H GLU 3 H GLU 3 2.826 -4.631 -0.378
9 HA GLU 3 HA GLU 3 4.612 -6.460 -1.784
10 HB2 GLU 3 HB2 GLU 3 5.448 -3.936 -0.415
11 HB3 GLU 3 HB3 GLU 3 6.510 -5.335 -0.349
12 HG2 GLU 3 HG2 GLU 3 7.276 -4.129 -2.178
13 HG3 GLU 3 HG3 GLU 3 6.287 -5.402 -2.892
14 H THR 4 H THR 4 6.261 -7.326 0.020
15 HA THR 4 HA THR 4 4.894 -7.709 2.570
16 HB THR 4 HB THR 4 3.983 -9.565 1.420
17 HG1 THR 4 HG1 THR 4 5.154 -11.346 2.444
18 HG21 THR 4 HG21 THR 4 5.306 -9.617 -0.569
19 HG22 THR 4 HG22 THR 4 5.463 -11.194 0.203
20 HG23 THR 4 HG23 THR 4 6.763 -10.012 0.340
21 H CYS 5 H CYS 5 6.258 -8.052 4.261
22 HA CYS 5 HA CYS 5 9.110 -8.443 3.644
23 HB2 CYS 5 HB2 CYS 5 9.321 -6.959 5.856
24 HB3 CYS 5 HB3 CYS 5 9.260 -6.245 4.247
25 H VAL 6 H VAL 6 8.644 -10.691 4.123
26 HA VAL 6 HA VAL 6 7.651 -11.593 6.591
27 HB VAL 6 HB VAL 6 9.643 -13.036 4.840
28 HG11 VAL 6 HG11 VAL 6 9.478 -14.272 6.794
29 HG12 VAL 6 HG12 VAL 6 7.775 -13.869 7.025
30 HG13 VAL 6 HG13 VAL 6 8.249 -15.012 5.768
31 HG21 VAL 6 HG21 VAL 6 7.251 -14.081 4.155
32 HG22 VAL 6 HG22 VAL 6 6.793 -12.403 4.445
33 HG23 VAL 6 HG23 VAL 6 8.047 -12.784 3.265
34 H GLY 7 H GLY 7 10.633 -10.154 5.779
35 HA2 GLY 7 HA2 GLY 7 11.846 -11.147 8.281
36 HA3 GLY 7 HA3 GLY 7 12.764 -10.603 6.885
37 H GLY 8 H GLY 8 10.116 -8.614 7.316
38 HA2 GLY 8 HA2 GLY 8 9.847 -6.489 8.148
39 HA3 GLY 8 HA3 GLY 8 10.991 -6.926 9.409
40 H THR 9 H THR 9 11.166 -6.423 5.881
41 HA THR 9 HA THR 9 13.094 -4.278 6.291
42 HB THR 9 HB THR 9 14.631 -6.081 6.170
43 HG1 THR 9 HG1 THR 9 15.620 -4.778 4.818
44 HG21 THR 9 HG21 THR 9 14.283 -7.394 3.762
45 HG22 THR 9 HG22 THR 9 12.640 -7.224 4.381
46 HG23 THR 9 HG23 THR 9 13.872 -8.024 5.357
47 H CYS 10 H CYS 10 11.092 -3.233 5.456
48 HA CYS 10 HA CYS 10 11.294 -2.958 2.569
49 HB2 CYS 10 HB2 CYS 10 8.974 -3.318 2.119
50 HB3 CYS 10 HB3 CYS 10 9.547 -4.717 3.021
51 H ASN 11 H ASN 11 11.827 -1.363 5.024
52 HA ASN 11 HA ASN 11 9.879 0.671 5.276
53 HB2 ASN 11 HB2 ASN 11 12.808 0.533 5.978
54 HB3 ASN 11 HB3 ASN 11 11.846 1.978 6.272
55 HD21 ASN 11 HD21 ASN 11 13.165 -0.254 7.942
56 HD22 ASN 11 HD22 ASN 11 11.943 -0.647 9.098
57 H THR 12 H THR 12 9.554 2.530 4.189
58 HA THR 12 HA THR 12 11.551 3.494 2.301
59 HB THR 12 HB THR 12 9.428 3.766 0.679
60 HG1 THR 12 HG1 THR 12 7.969 2.221 0.951
61 HG21 THR 12 HG21 THR 12 11.208 1.335 0.883
62 HG22 THR 12 HG22 THR 12 11.557 2.825 0.006
63 HG23 THR 12 HG23 THR 12 10.250 1.769 -0.532
64 HA PRO 13 HA PRO 13 10.078 7.468 3.439
65 HB2 PRO 13 HB2 PRO 13 10.360 8.868 1.130
66 HB3 PRO 13 HB3 PRO 13 11.734 8.352 2.114
67 HG2 PRO 13 HG2 PRO 13 10.603 7.105 -0.361
68 HG3 PRO 13 HG3 PRO 13 12.299 7.370 0.083
69 HD2 PRO 13 HD2 PRO 13 11.081 4.967 0.351
70 HD3 PRO 13 HD3 PRO 13 12.361 5.517 1.452
71 H GLY 14 H GLY 14 7.852 6.574 3.689
72 HA2 GLY 14 HA2 GLY 14 5.760 7.926 3.199
73 HA3 GLY 14 HA3 GLY 14 6.057 7.477 1.527
74 H CYS 15 H CYS 15 7.032 4.906 3.305
75 HA CYS 15 HA CYS 15 4.371 3.708 3.540
76 HB2 CYS 15 HB2 CYS 15 5.764 3.239 1.292
77 HB3 CYS 15 HB3 CYS 15 6.469 1.996 2.320
78 H THR 16 H THR 16 4.434 1.605 4.697
79 HA THR 16 HA THR 16 6.745 1.370 6.501
80 HB THR 16 HB THR 16 4.947 0.725 8.282
81 HG1 THR 16 HG1 THR 16 3.388 2.634 6.918
82 HG21 THR 16 HG21 THR 16 5.069 2.888 9.194
83 HG22 THR 16 HG22 THR 16 5.127 3.648 7.603
84 HG23 THR 16 HG23 THR 16 6.519 2.746 8.201
85 H CYS 17 H CYS 17 6.440 -0.728 7.884
86 HA CYS 17 HA CYS 17 5.841 -2.878 5.980
87 HB2 CYS 17 HB2 CYS 17 8.136 -2.715 6.995
88 HB3 CYS 17 HB3 CYS 17 7.406 -3.060 8.559
89 H SER 18 H SER 18 4.768 -4.799 6.717
90 HA SER 18 HA SER 18 3.310 -4.658 9.226
91 HB2 SER 18 HB2 SER 18 1.991 -3.476 7.318
92 HB3 SER 18 HB3 SER 18 1.696 -5.113 6.732
93 HG SER 18 HG SER 18 0.756 -5.593 8.750
94 H TRP 19 H TRP 19 5.180 -6.422 8.969
95 HA TRP 19 HA TRP 19 5.074 -8.732 7.621
96 HB2 TRP 19 HB2 TRP 19 6.667 -8.235 9.464
97 HB3 TRP 19 HB3 TRP 19 5.400 -8.612 10.627
98 HD1 TRP 19 HD1 TRP 19 8.067 -10.215 8.547
99 HE1 TRP 19 HE1 TRP 19 8.018 -12.767 8.880
100 HE3 TRP 19 HE3 TRP 19 3.623 -10.623 11.040
101 HZ2 TRP 19 HZ2 TRP 19 6.320 -14.698 10.044
102 HZ3 TRP 19 HZ3 TRP 19 2.857 -12.858 11.728
103 HH2 TRP 19 HH2 TRP 19 4.179 -14.852 11.238
104 HA PRO 20 HA PRO 20 5.151 -10.892 7.534
105 HB2 PRO 20 HB2 PRO 20 3.769 -12.334 5.696
106 HB3 PRO 20 HB3 PRO 20 4.099 -12.925 7.329
107 HG2 PRO 20 HG2 PRO 20 1.609 -11.673 6.235
108 HG3 PRO 20 HG3 PRO 20 1.779 -13.078 7.304
109 HD2 PRO 20 HD2 PRO 20 1.120 -10.618 8.224
110 HD3 PRO 20 HD3 PRO 20 2.071 -11.772 9.181
111 H VAL 21 H VAL 21 2.213 -9.595 6.022
112 HA VAL 21 HA VAL 21 3.400 -8.953 3.536
113 HB VAL 21 HB VAL 21 1.436 -7.666 3.065
114 HG11 VAL 21 HG11 VAL 21 -0.289 -9.286 3.438
115 HG12 VAL 21 HG12 VAL 21 1.229 -10.148 3.181
116 HG13 VAL 21 HG13 VAL 21 0.581 -9.968 4.812
117 HG21 VAL 21 HG21 VAL 21 1.298 -6.344 5.078
118 HG22 VAL 21 HG22 VAL 21 -0.240 -7.167 4.819
119 HG23 VAL 21 HG23 VAL 21 0.890 -7.771 6.030
120 H CYS 22 H CYS 22 2.838 -6.351 2.993
121 HA CYS 22 HA CYS 22 4.150 -4.662 4.958
122 HB2 CYS 22 HB2 CYS 22 5.488 -5.682 2.558
123 HB3 CYS 22 HB3 CYS 22 5.535 -3.927 2.693
124 H GLY 23 H GLY 23 3.971 -2.394 4.480
125 HA2 GLY 23 HA2 GLY 23 3.086 -0.951 2.476
126 HA3 GLY 23 HA3 GLY 23 1.610 -1.836 2.837
127 H HIS 24 H HIS 24 0.481 -1.402 4.746
128 HA HIS 24 HA HIS 24 1.468 0.693 6.504
129 HB2 HIS 24 HB2 HIS 24 -1.161 1.001 5.039
130 HB3 HIS 24 HB3 HIS 24 -0.484 2.118 6.221
131 HD1 HIS 24 HD1 HIS 24 1.480 3.623 5.440
132 HD2 HIS 24 HD2 HIS 24 -0.103 1.192 2.465
133 HE1 HIS 24 HE1 HIS 24 2.403 4.518 3.278
134 H PHE 25 H PHE 25 -0.644 1.239 8.024
135 HA PHE 25 HA PHE 25 -1.466 -1.398 9.039
136 HB2 PHE 25 HB2 PHE 25 -0.031 -0.118 10.573
137 HB3 PHE 25 HB3 PHE 25 -1.177 1.217 10.533
138 HD1 PHE 25 HD2 PHE 25 -3.298 1.074 11.693
139 HD2 PHE 25 HD1 PHE 25 -0.503 -2.134 11.809
140 HE1 PHE 25 HE2 PHE 25 -4.520 0.082 13.584
141 HE2 PHE 25 HE1 PHE 25 -1.721 -3.132 13.699
142 HZ PHE 25 HZ PHE 25 -3.731 -2.023 14.590
143 H ARG 26 H ARG 26 -2.568 1.688 7.933
144 HA ARG 26 HA ARG 26 -5.280 1.271 8.888
145 HB2 ARG 26 HB2 ARG 26 -3.718 3.512 7.939
146 HB3 ARG 26 HB3 ARG 26 -5.257 3.425 7.094
147 HG2 ARG 26 HG2 ARG 26 -6.277 3.176 9.451
148 HG3 ARG 26 HG3 ARG 26 -4.727 3.808 10.010
149 HD2 ARG 26 HD2 ARG 26 -6.284 5.202 7.862
150 HD3 ARG 26 HD3 ARG 26 -6.655 5.462 9.566
151 HE ARG 26 HE ARG 26 -3.876 5.805 8.957
152 HH11 ARG 26 HH11 ARG 26 -6.994 7.353 8.967
153 HH12 ARG 26 HH12 ARG 26 -6.344 8.955 9.082
154 HH21 ARG 26 HH21 ARG 26 -3.008 7.909 9.109
155 HH22 ARG 26 HH22 ARG 26 -4.076 9.270 9.162
156 H TRP 27 H TRP 27 -3.963 2.081 5.673
157 HA TRP 27 HA TRP 27 -6.224 0.914 4.352
158 HB2 TRP 27 HB2 TRP 27 -3.620 1.744 3.070
159 HB3 TRP 27 HB3 TRP 27 -5.208 1.632 2.316
160 HD1 TRP 27 HD1 TRP 27 -7.040 3.356 3.995
161 HE1 TRP 27 HE1 TRP 27 -6.648 5.876 4.344
162 HE3 TRP 27 HE3 TRP 27 -2.041 3.553 2.941
163 HZ2 TRP 27 HZ2 TRP 27 -4.503 7.705 4.192
164 HZ3 TRP 27 HZ3 TRP 27 -0.895 5.727 3.065
165 HH2 TRP 27 HH2 TRP 27 -2.102 7.758 3.678
166 H GLY 28 H GLY 28 -2.752 0.211 3.905
167 HA2 GLY 28 HA2 GLY 28 -1.846 -1.999 4.252
168 HA3 GLY 28 HA3 GLY 28 -3.432 -2.657 3.878
169 H VAL 29 H VAL 29 -1.681 -0.164 2.089
170 HA VAL 29 HA VAL 29 -1.155 -2.065 -0.072
171 HB VAL 29 HB VAL 29 -1.989 -0.328 -1.727
172 HG11 VAL 29 HG11 VAL 29 -3.807 -1.907 0.062
173 HG12 VAL 29 HG12 VAL 29 -4.431 -1.000 -1.317
174 HG13 VAL 29 HG13 VAL 29 -3.251 -2.287 -1.568
175 HG21 VAL 29 HG21 VAL 29 -2.338 1.188 0.572
176 HG22 VAL 29 HG22 VAL 29 -2.931 1.573 -1.044
177 HG23 VAL 29 HG23 VAL 29 -3.973 0.726 0.099
Start of MODEL 5
1 H1 CYS 1 H CYS 1 1.914 -1.287 0.300
2 HA CYS 1 HA CYS 1 1.832 0.586 -1.974
3 HB2 CYS 1 HB2 CYS 1 4.114 -0.784 -0.590
4 HB3 CYS 1 HB3 CYS 1 4.270 -0.305 -2.277
5 H GLY 2 H GLY 2 1.955 -2.760 -0.967
6 HA2 GLY 2 HA2 GLY 2 0.748 -4.330 -2.428
7 HA3 GLY 2 HA3 GLY 2 1.539 -3.545 -3.786
8 H GLU 3 H GLU 3 2.905 -4.612 -0.690
9 HA GLU 3 HA GLU 3 4.325 -6.777 -2.012
10 HB2 GLU 3 HB2 GLU 3 5.829 -4.603 -0.548
11 HB3 GLU 3 HB3 GLU 3 6.523 -6.028 -1.308
12 HG2 GLU 3 HG2 GLU 3 5.865 -5.223 -3.492
13 HG3 GLU 3 HG3 GLU 3 5.075 -3.827 -2.762
14 H THR 4 H THR 4 6.052 -7.566 -0.136
15 HA THR 4 HA THR 4 4.668 -7.620 2.438
16 HB THR 4 HB THR 4 3.704 -9.559 1.535
17 HG1 THR 4 HG1 THR 4 4.769 -11.245 2.702
18 HG21 THR 4 HG21 THR 4 5.471 -11.322 0.563
19 HG22 THR 4 HG22 THR 4 6.300 -9.826 0.134
20 HG23 THR 4 HG23 THR 4 4.663 -10.125 -0.447
21 H CYS 5 H CYS 5 6.048 -7.524 4.097
22 HA CYS 5 HA CYS 5 8.898 -8.014 3.543
23 HB2 CYS 5 HB2 CYS 5 9.291 -6.498 5.519
24 HB3 CYS 5 HB3 CYS 5 8.568 -5.718 4.115
25 H VAL 6 H VAL 6 8.097 -10.322 3.965
26 HA VAL 6 HA VAL 6 7.317 -11.235 6.470
27 HB VAL 6 HB VAL 6 9.125 -12.676 4.525
28 HG11 VAL 6 HG11 VAL 6 9.209 -14.115 6.261
29 HG12 VAL 6 HG12 VAL 6 7.758 -13.454 7.018
30 HG13 VAL 6 HG13 VAL 6 7.615 -14.589 5.675
31 HG21 VAL 6 HG21 VAL 6 6.115 -12.567 4.696
32 HG22 VAL 6 HG22 VAL 6 7.122 -11.927 3.397
33 HG23 VAL 6 HG23 VAL 6 7.029 -13.668 3.664
34 H GLY 7 H GLY 7 10.430 -10.168 5.350
35 HA2 GLY 7 HA2 GLY 7 11.863 -11.324 7.589
36 HA3 GLY 7 HA3 GLY 7 12.536 -10.288 6.339
37 H GLY 8 H GLY 8 10.079 -8.478 7.024
38 HA2 GLY 8 HA2 GLY 8 9.542 -6.895 8.671
39 HA3 GLY 8 HA3 GLY 8 10.925 -7.436 9.610
40 H THR 9 H THR 9 11.215 -6.646 6.228
41 HA THR 9 HA THR 9 12.523 -4.107 6.943
42 HB THR 9 HB THR 9 14.353 -5.552 6.527
43 HG1 THR 9 HG1 THR 9 14.975 -4.756 4.281
44 HG21 THR 9 HG21 THR 9 14.186 -6.592 3.995
45 HG22 THR 9 HG22 THR 9 12.530 -6.757 4.581
46 HG23 THR 9 HG23 THR 9 13.862 -7.479 5.484
47 H CYS 10 H CYS 10 10.967 -2.739 6.209
48 HA CYS 10 HA CYS 10 10.632 -2.581 3.328
49 HB2 CYS 10 HB2 CYS 10 8.661 -3.825 4.863
50 HB3 CYS 10 HB3 CYS 10 8.051 -2.194 4.601
51 H ASN 11 H ASN 11 11.769 -1.057 5.694
52 HA ASN 11 HA ASN 11 10.210 1.310 5.979
53 HB2 ASN 11 HB2 ASN 11 13.158 0.881 6.514
54 HB3 ASN 11 HB3 ASN 11 12.192 2.236 7.090
55 HD21 ASN 11 HD21 ASN 11 13.566 -0.505 8.059
56 HD22 ASN 11 HD22 ASN 11 12.487 -0.976 9.324
57 H THR 12 H THR 12 9.743 1.909 3.814
58 HA THR 12 HA THR 12 12.027 3.003 2.312
59 HB THR 12 HB THR 12 9.956 3.082 0.536
60 HG1 THR 12 HG1 THR 12 9.114 0.815 0.807
61 HG21 THR 12 HG21 THR 12 10.948 0.845 -0.277
62 HG22 THR 12 HG22 THR 12 12.053 1.005 1.088
63 HG23 THR 12 HG23 THR 12 12.020 2.240 -0.170
64 HA PRO 13 HA PRO 13 10.585 7.123 2.769
65 HB2 PRO 13 HB2 PRO 13 11.135 8.191 0.334
66 HB3 PRO 13 HB3 PRO 13 12.390 7.786 1.511
67 HG2 PRO 13 HG2 PRO 13 11.462 6.237 -0.876
68 HG3 PRO 13 HG3 PRO 13 13.115 6.526 -0.304
69 HD2 PRO 13 HD2 PRO 13 11.799 4.206 0.159
70 HD3 PRO 13 HD3 PRO 13 12.984 4.874 1.299
71 H GLY 14 H GLY 14 8.317 6.350 2.923
72 HA2 GLY 14 HA2 GLY 14 6.321 7.638 2.066
73 HA3 GLY 14 HA3 GLY 14 6.771 7.002 0.491
74 H CYS 15 H CYS 15 7.481 4.647 2.676
75 HA CYS 15 HA CYS 15 4.791 3.533 2.826
76 HB2 CYS 15 HB2 CYS 15 6.363 2.832 0.703
77 HB3 CYS 15 HB3 CYS 15 6.777 1.582 1.871
78 H THR 16 H THR 16 4.633 1.704 4.265
79 HA THR 16 HA THR 16 6.905 1.475 6.127
80 HB THR 16 HB THR 16 4.270 1.033 7.332
81 HG1 THR 16 HG1 THR 16 4.927 3.491 6.114
82 HG21 THR 16 HG21 THR 16 5.478 1.479 9.151
83 HG22 THR 16 HG22 THR 16 5.861 3.090 8.544
84 HG23 THR 16 HG23 THR 16 6.886 1.720 8.116
85 H CYS 17 H CYS 17 6.678 -0.501 7.567
86 HA CYS 17 HA CYS 17 6.056 -2.781 5.857
87 HB2 CYS 17 HB2 CYS 17 8.265 -2.660 6.968
88 HB3 CYS 17 HB3 CYS 17 7.462 -2.694 8.535
89 H SER 18 H SER 18 4.712 -4.481 6.474
90 HA SER 18 HA SER 18 3.141 -4.187 8.916
91 HB2 SER 18 HB2 SER 18 1.879 -2.964 7.177
92 HB3 SER 18 HB3 SER 18 1.861 -4.419 6.181
93 HG SER 18 HG SER 18 0.043 -3.803 7.835
94 H TRP 19 H TRP 19 4.976 -6.058 8.760
95 HA TRP 19 HA TRP 19 4.753 -8.419 7.517
96 HB2 TRP 19 HB2 TRP 19 6.332 -7.861 9.397
97 HB3 TRP 19 HB3 TRP 19 5.035 -8.254 10.522
98 HD1 TRP 19 HD1 TRP 19 7.689 -9.844 8.367
99 HE1 TRP 19 HE1 TRP 19 7.667 -12.393 8.722
100 HE3 TRP 19 HE3 TRP 19 3.354 -10.253 11.046
101 HZ2 TRP 19 HZ2 TRP 19 6.028 -14.322 9.971
102 HZ3 TRP 19 HZ3 TRP 19 2.629 -12.486 11.783
103 HH2 TRP 19 HH2 TRP 19 3.940 -14.477 11.255
104 HA PRO 20 HA PRO 20 4.709 -10.579 7.523
105 HB2 PRO 20 HB2 PRO 20 3.256 -12.023 5.741
106 HB3 PRO 20 HB3 PRO 20 3.548 -12.558 7.400
107 HG2 PRO 20 HG2 PRO 20 1.134 -11.222 6.239
108 HG3 PRO 20 HG3 PRO 20 1.223 -12.585 7.369
109 HD2 PRO 20 HD2 PRO 20 0.697 -10.054 8.177
110 HD3 PRO 20 HD3 PRO 20 1.579 -11.215 9.189
111 H VAL 21 H VAL 21 1.858 -9.164 5.958
112 HA VAL 21 HA VAL 21 3.064 -8.714 3.441
113 HB VAL 21 HB VAL 21 1.197 -7.296 2.934
114 HG11 VAL 21 HG11 VAL 21 0.704 -9.660 2.974
115 HG12 VAL 21 HG12 VAL 21 0.365 -9.592 4.705
116 HG13 VAL 21 HG13 VAL 21 -0.692 -8.758 3.564
117 HG21 VAL 21 HG21 VAL 21 -0.418 -6.602 4.660
118 HG22 VAL 21 HG22 VAL 21 0.633 -7.287 5.899
119 HG23 VAL 21 HG23 VAL 21 1.185 -5.920 4.932
120 H CYS 22 H CYS 22 2.719 -6.119 2.768
121 HA CYS 22 HA CYS 22 4.225 -4.478 4.652
122 HB2 CYS 22 HB2 CYS 22 6.010 -5.441 3.378
123 HB3 CYS 22 HB3 CYS 22 5.162 -5.156 1.862
124 H GLY 23 H GLY 23 3.826 -2.303 4.475
125 HA2 GLY 23 HA2 GLY 23 3.044 -0.723 2.467
126 HA3 GLY 23 HA3 GLY 23 1.551 -1.582 2.815
127 H HIS 24 H HIS 24 0.454 -1.187 4.746
128 HA HIS 24 HA HIS 24 1.530 0.800 6.578
129 HB2 HIS 24 HB2 HIS 24 -1.119 1.241 5.188
130 HB3 HIS 24 HB3 HIS 24 -0.371 2.296 6.384
131 HD1 HIS 24 HD1 HIS 24 1.339 3.966 5.559
132 HD2 HIS 24 HD2 HIS 24 0.151 1.276 2.625
133 HE1 HIS 24 HE1 HIS 24 2.300 4.849 3.409
134 H PHE 25 H PHE 25 -0.321 1.285 8.288
135 HA PHE 25 HA PHE 25 -1.181 -1.346 9.229
136 HB2 PHE 25 HB2 PHE 25 0.106 -0.102 10.832
137 HB3 PHE 25 HB3 PHE 25 -0.913 1.319 10.627
138 HD1 PHE 25 HD2 PHE 25 -0.796 -2.112 11.969
139 HD2 PHE 25 HD1 PHE 25 -2.933 1.566 11.829
140 HE1 PHE 25 HE2 PHE 25 -2.218 -2.872 13.828
141 HE2 PHE 25 HE1 PHE 25 -4.358 0.813 13.688
142 HZ PHE 25 HZ PHE 25 -4.002 -1.409 14.689
143 H ARG 26 H ARG 26 -2.435 1.670 8.076
144 HA ARG 26 HA ARG 26 -5.132 1.125 8.994
145 HB2 ARG 26 HB2 ARG 26 -3.689 3.405 7.863
146 HB3 ARG 26 HB3 ARG 26 -5.311 3.219 7.208
147 HG2 ARG 26 HG2 ARG 26 -4.992 3.046 10.149
148 HG3 ARG 26 HG3 ARG 26 -4.820 4.630 9.391
149 HD2 ARG 26 HD2 ARG 26 -7.005 4.682 8.687
150 HD3 ARG 26 HD3 ARG 26 -7.142 2.925 8.639
151 HE ARG 26 HE ARG 26 -7.902 2.990 10.785
152 HH11 ARG 26 HH11 ARG 26 -6.137 5.923 10.148
153 HH12 ARG 26 HH12 ARG 26 -6.514 6.637 11.681
154 HH21 ARG 26 HH21 ARG 26 -8.404 3.919 12.807
155 HH22 ARG 26 HH22 ARG 26 -7.803 5.496 13.193
156 H TRP 27 H TRP 27 -3.702 1.778 5.789
157 HA TRP 27 HA TRP 27 -5.918 0.456 4.484
158 HB2 TRP 27 HB2 TRP 27 -3.394 1.485 3.185
159 HB3 TRP 27 HB3 TRP 27 -4.962 1.211 2.431
160 HD1 TRP 27 HD1 TRP 27 -6.952 2.807 4.046
161 HE1 TRP 27 HE1 TRP 27 -6.788 5.359 4.338
162 HE3 TRP 27 HE3 TRP 27 -1.979 3.422 3.034
163 HZ2 TRP 27 HZ2 TRP 27 -4.812 7.367 4.162
164 HZ3 TRP 27 HZ3 TRP 27 -1.030 5.690 3.117
165 HH2 TRP 27 HH2 TRP 27 -2.419 7.621 3.669
166 H GLY 28 H GLY 28 -2.394 0.056 4.070
167 HA2 GLY 28 HA2 GLY 28 -1.304 -2.062 4.483
168 HA3 GLY 28 HA3 GLY 28 -2.820 -2.861 4.096
169 H VAL 29 H VAL 29 -0.939 -0.359 2.400
170 HA VAL 29 HA VAL 29 -0.334 -2.216 0.250
171 HB VAL 29 HB VAL 29 -2.412 -1.543 -0.607
172 HG11 VAL 29 HG11 VAL 29 -1.720 1.297 0.139
173 HG12 VAL 29 HG12 VAL 29 -3.201 0.767 -0.663
174 HG13 VAL 29 HG13 VAL 29 -2.858 0.253 0.990
175 HG21 VAL 29 HG21 VAL 29 -1.882 -0.350 -2.596
176 HG22 VAL 29 HG22 VAL 29 -0.508 0.446 -1.829
177 HG23 VAL 29 HG23 VAL 29 -0.452 -1.286 -2.158
Start of MODEL 6
1 H1 CYS 1 H CYS 1 1.414 -0.553 0.669
2 HA CYS 1 HA CYS 1 1.963 -0.038 -2.122
3 HB2 CYS 1 HB2 CYS 1 3.660 -1.303 0.040
4 HB3 CYS 1 HB3 CYS 1 4.223 -0.907 -1.580
5 H GLY 2 H GLY 2 1.222 -2.777 -0.078
6 HA2 GLY 2 HA2 GLY 2 0.536 -4.900 -0.660
7 HA3 GLY 2 HA3 GLY 2 0.577 -4.398 -2.344
8 H GLU 3 H GLU 3 3.341 -4.156 -0.208
9 HA GLU 3 HA GLU 3 4.756 -6.055 -1.931
10 HB2 GLU 3 HB2 GLU 3 5.466 -3.572 -0.828
11 HB3 GLU 3 HB3 GLU 3 6.425 -4.763 0.040
12 HG2 GLU 3 HG2 GLU 3 7.763 -4.153 -1.757
13 HG3 GLU 3 HG3 GLU 3 7.043 -5.682 -2.259
14 H THR 4 H THR 4 6.792 -6.877 -0.325
15 HA THR 4 HA THR 4 5.385 -8.512 1.679
16 HB THR 4 HB THR 4 7.785 -9.776 1.310
17 HG1 THR 4 HG1 THR 4 8.467 -8.673 -0.460
18 HG21 THR 4 HG21 THR 4 6.493 -11.377 -0.085
19 HG22 THR 4 HG22 THR 4 5.185 -10.197 -0.166
20 HG23 THR 4 HG23 THR 4 5.647 -10.896 1.385
21 H CYS 5 H CYS 5 6.155 -8.673 3.744
22 HA CYS 5 HA CYS 5 8.661 -7.342 4.433
23 HB2 CYS 5 HB2 CYS 5 6.483 -5.843 4.648
24 HB3 CYS 5 HB3 CYS 5 6.300 -6.734 6.156
25 H VAL 6 H VAL 6 7.758 -10.114 4.348
26 HA VAL 6 HA VAL 6 7.064 -11.180 6.814
27 HB VAL 6 HB VAL 6 8.904 -12.398 4.751
28 HG11 VAL 6 HG11 VAL 6 9.174 -14.045 6.221
29 HG12 VAL 6 HG12 VAL 6 8.005 -13.327 7.331
30 HG13 VAL 6 HG13 VAL 6 7.456 -14.398 6.041
31 HG21 VAL 6 HG21 VAL 6 6.680 -13.640 4.232
32 HG22 VAL 6 HG22 VAL 6 5.929 -12.252 5.020
33 HG23 VAL 6 HG23 VAL 6 6.938 -12.016 3.593
34 H GLY 7 H GLY 7 10.136 -9.964 5.685
35 HA2 GLY 7 HA2 GLY 7 11.525 -11.011 8.035
36 HA3 GLY 7 HA3 GLY 7 12.268 -10.191 6.670
37 H GLY 8 H GLY 8 9.694 -8.335 7.339
38 HA2 GLY 8 HA2 GLY 8 9.353 -6.380 8.500
39 HA3 GLY 8 HA3 GLY 8 10.466 -6.987 9.716
40 H THR 9 H THR 9 10.791 -6.032 6.296
41 HA THR 9 HA THR 9 12.736 -3.995 7.106
42 HB THR 9 HB THR 9 14.171 -5.820 6.552
43 HG1 THR 9 HG1 THR 9 15.362 -4.604 5.288
44 HG21 THR 9 HG21 THR 9 13.648 -6.390 3.845
45 HG22 THR 9 HG22 THR 9 12.095 -6.469 4.678
46 HG23 THR 9 HG23 THR 9 13.444 -7.461 5.231
47 H CYS 10 H CYS 10 10.575 -2.897 6.556
48 HA CYS 10 HA CYS 10 10.522 -2.288 3.672
49 HB2 CYS 10 HB2 CYS 10 8.308 -2.532 5.683
50 HB3 CYS 10 HB3 CYS 10 8.105 -1.503 4.270
51 H ASN 11 H ASN 11 12.357 -0.877 4.796
52 HA ASN 11 HA ASN 11 11.283 1.572 5.942
53 HB2 ASN 11 HB2 ASN 11 13.737 2.217 6.038
54 HB3 ASN 11 HB3 ASN 11 13.275 0.815 6.999
55 HD21 ASN 11 HD21 ASN 11 13.785 -1.281 6.190
56 HD22 ASN 11 HD22 ASN 11 15.114 -1.498 5.107
57 H THR 12 H THR 12 10.126 1.748 3.731
58 HA THR 12 HA THR 12 11.859 3.071 1.761
59 HB THR 12 HB THR 12 9.272 2.863 0.690
60 HG1 THR 12 HG1 THR 12 10.055 0.540 2.135
61 HG21 THR 12 HG21 THR 12 11.823 2.370 -0.102
62 HG22 THR 12 HG22 THR 12 10.391 1.924 -1.031
63 HG23 THR 12 HG23 THR 12 11.179 0.731 0.001
64 HA PRO 13 HA PRO 13 10.230 7.043 2.705
65 HB2 PRO 13 HB2 PRO 13 10.450 8.244 0.280
66 HB3 PRO 13 HB3 PRO 13 11.845 7.888 1.306
67 HG2 PRO 13 HG2 PRO 13 10.787 6.370 -1.047
68 HG3 PRO 13 HG3 PRO 13 12.466 6.759 -0.630
69 HD2 PRO 13 HD2 PRO 13 11.371 4.330 -0.148
70 HD3 PRO 13 HD3 PRO 13 12.617 5.040 0.898
71 H GLY 14 H GLY 14 8.050 6.497 3.153
72 HA2 GLY 14 HA2 GLY 14 5.887 7.462 2.597
73 HA3 GLY 14 HA3 GLY 14 6.220 7.087 0.913
74 H CYS 15 H CYS 15 7.308 4.549 2.736
75 HA CYS 15 HA CYS 15 4.718 3.160 2.681
76 HB2 CYS 15 HB2 CYS 15 6.297 2.686 0.672
77 HB3 CYS 15 HB3 CYS 15 7.239 1.760 1.836
78 H THR 16 H THR 16 4.372 1.701 4.304
79 HA THR 16 HA THR 16 6.480 1.536 6.357
80 HB THR 16 HB THR 16 3.735 0.865 7.182
81 HG1 THR 16 HG1 THR 16 4.419 3.561 6.548
82 HG21 THR 16 HG21 THR 16 4.954 1.087 9.060
83 HG22 THR 16 HG22 THR 16 4.679 2.816 8.843
84 HG23 THR 16 HG23 THR 16 6.174 2.080 8.265
85 H CYS 17 H CYS 17 5.865 -0.455 7.899
86 HA CYS 17 HA CYS 17 5.838 -2.793 6.122
87 HB2 CYS 17 HB2 CYS 17 7.822 -2.420 7.610
88 HB3 CYS 17 HB3 CYS 17 6.761 -2.645 8.997
89 H SER 18 H SER 18 4.456 -4.498 6.440
90 HA SER 18 HA SER 18 2.536 -4.334 8.645
91 HB2 SER 18 HB2 SER 18 1.733 -4.684 5.746
92 HB3 SER 18 HB3 SER 18 0.645 -4.722 7.134
93 HG SER 18 HG SER 18 2.191 -2.517 6.236
94 H TRP 19 H TRP 19 4.584 -6.062 8.693
95 HA TRP 19 HA TRP 19 4.648 -8.451 7.497
96 HB2 TRP 19 HB2 TRP 19 6.019 -7.799 9.474
97 HB3 TRP 19 HB3 TRP 19 4.640 -8.160 10.508
98 HD1 TRP 19 HD1 TRP 19 7.565 -9.775 8.822
99 HE1 TRP 19 HE1 TRP 19 7.546 -12.309 9.277
100 HE3 TRP 19 HE3 TRP 19 2.881 -10.205 10.825
101 HZ2 TRP 19 HZ2 TRP 19 5.779 -14.234 10.343
102 HZ3 TRP 19 HZ3 TRP 19 2.102 -12.428 11.537
103 HH2 TRP 19 HH2 TRP 19 3.523 -14.400 11.300
104 HA PRO 20 HA PRO 20 4.761 -10.611 7.553
105 HB2 PRO 20 HB2 PRO 20 3.602 -12.187 5.671
106 HB3 PRO 20 HB3 PRO 20 3.763 -12.672 7.363
107 HG2 PRO 20 HG2 PRO 20 1.389 -11.537 5.935
108 HG3 PRO 20 HG3 PRO 20 1.461 -12.871 7.102
109 HD2 PRO 20 HD2 PRO 20 0.676 -10.373 7.792
110 HD3 PRO 20 HD3 PRO 20 1.533 -11.449 8.914
111 H VAL 21 H VAL 21 1.997 -9.364 5.728
112 HA VAL 21 HA VAL 21 3.414 -8.889 3.315
113 HB VAL 21 HB VAL 21 1.509 -7.604 2.602
114 HG11 VAL 21 HG11 VAL 21 0.287 -9.746 4.299
115 HG12 VAL 21 HG12 VAL 21 -0.101 -9.274 2.644
116 HG13 VAL 21 HG13 VAL 21 1.385 -10.162 2.984
117 HG21 VAL 21 HG21 VAL 21 0.627 -7.659 5.487
118 HG22 VAL 21 HG22 VAL 21 1.189 -6.246 4.593
119 HG23 VAL 21 HG23 VAL 21 -0.322 -7.033 4.139
120 H CYS 22 H CYS 22 2.952 -6.336 2.558
121 HA CYS 22 HA CYS 22 4.337 -4.655 4.532
122 HB2 CYS 22 HB2 CYS 22 5.898 -5.591 2.761
123 HB3 CYS 22 HB3 CYS 22 5.004 -4.630 1.588
124 H GLY 23 H GLY 23 4.073 -2.354 4.195
125 HA2 GLY 23 HA2 GLY 23 2.872 -0.776 2.535
126 HA3 GLY 23 HA3 GLY 23 1.478 -1.766 2.940
127 H HIS 24 H HIS 24 0.343 -1.336 4.756
128 HA HIS 24 HA HIS 24 1.491 0.364 6.819
129 HB2 HIS 24 HB2 HIS 24 -1.085 1.151 5.448
130 HB3 HIS 24 HB3 HIS 24 -0.247 2.032 6.722
131 HD1 HIS 24 HD1 HIS 24 1.601 3.611 6.024
132 HD2 HIS 24 HD2 HIS 24 0.189 1.280 2.888
133 HE1 HIS 24 HE1 HIS 24 2.639 4.578 3.948
134 H PHE 25 H PHE 25 0.030 0.568 8.711
135 HA PHE 25 HA PHE 25 -1.230 -1.988 9.227
136 HB2 PHE 25 HB2 PHE 25 0.256 -0.989 10.913
137 HB3 PHE 25 HB3 PHE 25 -0.821 0.398 11.042
138 HD1 PHE 25 HD2 PHE 25 -0.460 -3.196 11.733
139 HD2 PHE 25 HD1 PHE 25 -2.821 0.296 12.322
140 HE1 PHE 25 HE2 PHE 25 -1.743 -4.362 13.480
141 HE2 PHE 25 HE1 PHE 25 -4.107 -0.864 14.070
142 HZ PHE 25 HZ PHE 25 -3.569 -3.196 14.650
143 H ARG 26 H ARG 26 -2.165 1.266 8.521
144 HA ARG 26 HA ARG 26 -4.893 0.901 9.433
145 HB2 ARG 26 HB2 ARG 26 -3.473 3.100 9.407
146 HB3 ARG 26 HB3 ARG 26 -3.996 3.197 7.731
147 HG2 ARG 26 HG2 ARG 26 -6.369 2.790 8.833
148 HG3 ARG 26 HG3 ARG 26 -5.558 3.503 10.229
149 HD2 ARG 26 HD2 ARG 26 -4.793 5.310 8.520
150 HD3 ARG 26 HD3 ARG 26 -6.135 4.703 7.552
151 HE ARG 26 HE ARG 26 -6.917 5.298 10.232
152 HH11 ARG 26 HH11 ARG 26 -6.278 6.702 7.111
153 HH12 ARG 26 HH12 ARG 26 -7.313 8.068 7.369
154 HH21 ARG 26 HH21 ARG 26 -8.282 7.092 10.584
155 HH22 ARG 26 HH22 ARG 26 -8.451 8.289 9.345
156 H TRP 27 H TRP 27 -3.451 1.803 6.294
157 HA TRP 27 HA TRP 27 -5.814 0.908 4.896
158 HB2 TRP 27 HB2 TRP 27 -3.199 1.784 3.667
159 HB3 TRP 27 HB3 TRP 27 -4.796 1.791 2.925
160 HD1 TRP 27 HD1 TRP 27 -6.546 3.376 4.850
161 HE1 TRP 27 HE1 TRP 27 -6.083 5.846 5.411
162 HE3 TRP 27 HE3 TRP 27 -1.592 3.577 3.604
163 HZ2 TRP 27 HZ2 TRP 27 -3.906 7.641 5.334
164 HZ3 TRP 27 HZ3 TRP 27 -0.392 5.709 3.877
165 HH2 TRP 27 HH2 TRP 27 -1.528 7.697 4.724
166 H GLY 28 H GLY 28 -2.368 0.152 4.343
167 HA2 GLY 28 HA2 GLY 28 -1.473 -2.063 4.392
168 HA3 GLY 28 HA3 GLY 28 -3.095 -2.689 4.135
169 H VAL 29 H VAL 29 -1.173 -0.244 2.400
170 HA VAL 29 HA VAL 29 -1.114 -1.974 0.048
171 HB VAL 29 HB VAL 29 -2.138 0.860 -0.131
172 HG11 VAL 29 HG11 VAL 29 -1.061 -0.903 -2.049
173 HG12 VAL 29 HG12 VAL 29 -2.797 -0.811 -2.351
174 HG13 VAL 29 HG13 VAL 29 -1.826 0.662 -2.319
175 HG21 VAL 29 HG21 VAL 29 -3.901 -0.244 0.910
176 HG22 VAL 29 HG22 VAL 29 -4.296 -0.385 -0.803
177 HG23 VAL 29 HG23 VAL 29 -3.590 -1.754 0.055
Start of MODEL 7
1 H1 CYS 1 H CYS 1 1.718 0.424 1.004
2 HA CYS 1 HA CYS 1 2.241 1.027 -1.522
3 HB2 CYS 1 HB2 CYS 1 3.768 -0.355 0.550
4 HB3 CYS 1 HB3 CYS 1 4.316 -0.748 -1.076
5 H GLY 2 H GLY 2 1.880 -2.330 -0.410
6 HA2 GLY 2 HA2 GLY 2 0.647 -3.885 -1.814
7 HA3 GLY 2 HA3 GLY 2 1.341 -3.080 -3.213
8 H GLU 3 H GLU 3 3.036 -4.080 -0.279
9 HA GLU 3 HA GLU 3 4.360 -6.219 -1.782
10 HB2 GLU 3 HB2 GLU 3 5.815 -4.079 -0.220
11 HB3 GLU 3 HB3 GLU 3 6.563 -5.497 -0.941
12 HG2 GLU 3 HG2 GLU 3 5.005 -3.602 -2.640
13 HG3 GLU 3 HG3 GLU 3 6.661 -3.221 -2.170
14 H THR 4 H THR 4 6.103 -7.183 -0.035
15 HA THR 4 HA THR 4 4.802 -7.444 2.568
16 HB THR 4 HB THR 4 3.768 -9.278 1.529
17 HG1 THR 4 HG1 THR 4 6.108 -10.526 2.525
18 HG21 THR 4 HG21 THR 4 6.408 -9.677 0.156
19 HG22 THR 4 HG22 THR 4 4.805 -9.486 -0.555
20 HG23 THR 4 HG23 THR 4 5.232 -10.986 0.267
21 H CYS 5 H CYS 5 6.248 -7.465 4.166
22 HA CYS 5 HA CYS 5 9.065 -7.957 3.473
23 HB2 CYS 5 HB2 CYS 5 9.568 -6.635 5.540
24 HB3 CYS 5 HB3 CYS 5 8.739 -5.719 4.286
25 H VAL 6 H VAL 6 8.075 -10.282 3.714
26 HA VAL 6 HA VAL 6 7.446 -11.412 6.155
27 HB VAL 6 HB VAL 6 9.052 -12.692 3.939
28 HG11 VAL 6 HG11 VAL 6 7.795 -14.755 4.945
29 HG12 VAL 6 HG12 VAL 6 9.296 -14.183 5.675
30 HG13 VAL 6 HG13 VAL 6 7.744 -13.759 6.399
31 HG21 VAL 6 HG21 VAL 6 6.303 -11.849 4.097
32 HG22 VAL 6 HG22 VAL 6 7.191 -12.523 2.731
33 HG23 VAL 6 HG23 VAL 6 6.409 -13.597 3.890
34 H GLY 7 H GLY 7 10.545 -10.393 4.932
35 HA2 GLY 7 HA2 GLY 7 12.149 -11.851 6.784
36 HA3 GLY 7 HA3 GLY 7 12.664 -10.469 5.829
37 H GLY 8 H GLY 8 10.463 -8.798 6.929
38 HA2 GLY 8 HA2 GLY 8 9.873 -7.876 9.068
39 HA3 GLY 8 HA3 GLY 8 11.373 -8.524 9.716
40 H THR 9 H THR 9 11.285 -6.881 6.645
41 HA THR 9 HA THR 9 12.175 -4.367 7.804
42 HB THR 9 HB THR 9 14.293 -5.458 7.677
43 HG1 THR 9 HG1 THR 9 14.290 -4.044 5.239
44 HG21 THR 9 HG21 THR 9 13.556 -7.275 6.132
45 HG22 THR 9 HG22 THR 9 15.130 -6.590 5.727
46 HG23 THR 9 HG23 THR 9 13.703 -6.134 4.796
47 H CYS 10 H CYS 10 11.126 -2.826 6.751
48 HA CYS 10 HA CYS 10 10.971 -2.875 3.852
49 HB2 CYS 10 HB2 CYS 10 8.858 -3.943 5.176
50 HB3 CYS 10 HB3 CYS 10 8.376 -2.251 5.122
51 H ASN 11 H ASN 11 12.538 -1.140 4.659
52 HA ASN 11 HA ASN 11 11.233 1.288 5.591
53 HB2 ASN 11 HB2 ASN 11 14.142 0.768 4.934
54 HB3 ASN 11 HB3 ASN 11 13.503 2.215 5.708
55 HD21 ASN 11 HD21 ASN 11 15.075 -0.558 6.290
56 HD22 ASN 11 HD22 ASN 11 14.618 -0.834 7.933
57 H THR 12 H THR 12 9.935 1.744 3.765
58 HA THR 12 HA THR 12 11.409 2.552 1.348
59 HB THR 12 HB THR 12 8.827 2.654 0.553
60 HG1 THR 12 HG1 THR 12 7.800 0.784 1.452
61 HG21 THR 12 HG21 THR 12 11.055 0.871 0.243
62 HG22 THR 12 HG22 THR 12 9.788 1.279 -0.914
63 HG23 THR 12 HG23 THR 12 9.549 -0.046 0.225
64 HA PRO 13 HA PRO 13 10.494 6.796 2.009
65 HB2 PRO 13 HB2 PRO 13 10.173 7.672 -0.540
66 HB3 PRO 13 HB3 PRO 13 11.747 7.236 0.135
67 HG2 PRO 13 HG2 PRO 13 9.928 5.631 -1.619
68 HG3 PRO 13 HG3 PRO 13 11.689 5.818 -1.708
69 HD2 PRO 13 HD2 PRO 13 10.508 3.643 -0.609
70 HD3 PRO 13 HD3 PRO 13 12.063 4.278 -0.034
71 H GLY 14 H GLY 14 8.442 6.450 3.069
72 HA2 GLY 14 HA2 GLY 14 6.322 7.626 3.046
73 HA3 GLY 14 HA3 GLY 14 6.177 7.220 1.343
74 H CYS 15 H CYS 15 7.405 4.607 3.025
75 HA CYS 15 HA CYS 15 4.766 3.516 3.675
76 HB2 CYS 15 HB2 CYS 15 6.598 2.565 1.543
77 HB3 CYS 15 HB3 CYS 15 5.850 1.326 2.546
78 H THR 16 H THR 16 4.874 1.559 4.986
79 HA THR 16 HA THR 16 7.422 1.280 6.438
80 HB THR 16 HB THR 16 4.982 0.797 8.019
81 HG1 THR 16 HG1 THR 16 4.526 2.985 8.284
82 HG21 THR 16 HG21 THR 16 7.745 1.431 8.410
83 HG22 THR 16 HG22 THR 16 6.546 0.926 9.600
84 HG23 THR 16 HG23 THR 16 6.751 2.637 9.227
85 H CYS 17 H CYS 17 7.191 -0.750 7.975
86 HA CYS 17 HA CYS 17 6.497 -2.969 6.210
87 HB2 CYS 17 HB2 CYS 17 8.745 -2.908 7.238
88 HB3 CYS 17 HB3 CYS 17 8.004 -2.974 8.834
89 H SER 18 H SER 18 5.095 -4.614 6.760
90 HA SER 18 HA SER 18 3.659 -4.443 9.297
91 HB2 SER 18 HB2 SER 18 2.321 -4.309 6.587
92 HB3 SER 18 HB3 SER 18 1.464 -4.633 8.094
93 HG SER 18 HG SER 18 1.477 -2.391 7.423
94 H TRP 19 H TRP 19 5.423 -6.354 8.916
95 HA TRP 19 HA TRP 19 5.062 -8.617 7.535
96 HB2 TRP 19 HB2 TRP 19 6.741 -8.237 9.374
97 HB3 TRP 19 HB3 TRP 19 5.482 -8.671 10.528
98 HD1 TRP 19 HD1 TRP 19 7.981 -10.180 8.138
99 HE1 TRP 19 HE1 TRP 19 7.895 -12.746 8.320
100 HE3 TRP 19 HE3 TRP 19 3.773 -10.652 11.004
101 HZ2 TRP 19 HZ2 TRP 19 6.260 -14.710 9.519
102 HZ3 TRP 19 HZ3 TRP 19 3.015 -12.909 11.624
103 HH2 TRP 19 HH2 TRP 19 4.234 -14.895 10.895
104 HA PRO 20 HA PRO 20 4.946 -10.772 7.401
105 HB2 PRO 20 HB2 PRO 20 3.367 -12.046 5.597
106 HB3 PRO 20 HB3 PRO 20 3.714 -12.701 7.201
107 HG2 PRO 20 HG2 PRO 20 1.298 -11.215 6.245
108 HG3 PRO 20 HG3 PRO 20 1.391 -12.654 7.277
109 HD2 PRO 20 HD2 PRO 20 0.987 -10.169 8.274
110 HD3 PRO 20 HD3 PRO 20 1.874 -11.423 9.165
111 H VAL 21 H VAL 21 2.079 -9.161 6.071
112 HA VAL 21 HA VAL 21 3.200 -8.576 3.538
113 HB VAL 21 HB VAL 21 1.344 -7.105 3.190
114 HG11 VAL 21 HG11 VAL 21 0.938 -9.583 3.313
115 HG12 VAL 21 HG12 VAL 21 0.315 -9.325 4.944
116 HG13 VAL 21 HG13 VAL 21 -0.485 -8.573 3.564
117 HG21 VAL 21 HG21 VAL 21 1.429 -5.823 5.233
118 HG22 VAL 21 HG22 VAL 21 -0.191 -6.490 5.032
119 HG23 VAL 21 HG23 VAL 21 0.930 -7.227 6.175
120 H CYS 22 H CYS 22 2.868 -5.925 3.070
121 HA CYS 22 HA CYS 22 4.427 -4.417 5.005
122 HB2 CYS 22 HB2 CYS 22 6.219 -5.362 3.740
123 HB3 CYS 22 HB3 CYS 22 5.401 -5.035 2.216
124 H GLY 23 H GLY 23 4.068 -2.234 4.914
125 HA2 GLY 23 HA2 GLY 23 3.399 -0.518 3.008
126 HA3 GLY 23 HA3 GLY 23 1.885 -1.396 3.168
127 H HIS 24 H HIS 24 0.517 -0.905 4.804
128 HA HIS 24 HA HIS 24 1.475 0.898 6.914
129 HB2 HIS 24 HB2 HIS 24 -1.095 1.313 5.374
130 HB3 HIS 24 HB3 HIS 24 -0.479 2.326 6.676
131 HD1 HIS 24 HD1 HIS 24 1.601 3.826 6.117
132 HD2 HIS 24 HD2 HIS 24 -0.042 1.826 2.867
133 HE1 HIS 24 HE1 HIS 24 2.573 4.938 4.081
134 H PHE 25 H PHE 25 -0.813 1.302 8.303
135 HA PHE 25 HA PHE 25 -1.512 -1.423 9.157
136 HB2 PHE 25 HB2 PHE 25 -0.393 -0.105 10.874
137 HB3 PHE 25 HB3 PHE 25 -1.578 1.184 10.691
138 HD1 PHE 25 HD1 PHE 25 -1.096 -2.295 11.818
139 HD2 PHE 25 HD2 PHE 25 -3.657 1.104 11.803
140 HE1 PHE 25 HE1 PHE 25 -2.499 -3.349 13.543
141 HE2 PHE 25 HE2 PHE 25 -5.064 0.056 13.528
142 HZ PHE 25 HZ PHE 25 -4.486 -2.173 14.401
143 H ARG 26 H ARG 26 -2.820 1.668 8.182
144 HA ARG 26 HA ARG 26 -5.548 0.922 8.770
145 HB2 ARG 26 HB2 ARG 26 -4.391 3.314 8.671
146 HB3 ARG 26 HB3 ARG 26 -4.898 3.222 6.990
147 HG2 ARG 26 HG2 ARG 26 -7.204 2.913 7.673
148 HG3 ARG 26 HG3 ARG 26 -6.718 2.921 9.370
149 HD2 ARG 26 HD2 ARG 26 -5.697 5.235 8.809
150 HD3 ARG 26 HD3 ARG 26 -6.754 5.175 7.400
151 HE ARG 26 HE ARG 26 -8.179 4.605 9.794
152 HH11 ARG 26 HH11 ARG 26 -6.811 7.203 7.923
153 HH12 ARG 26 HH12 ARG 26 -7.914 8.394 8.528
154 HH21 ARG 26 HH21 ARG 26 -9.638 6.164 10.597
155 HH22 ARG 26 HH22 ARG 26 -9.521 7.802 10.050
156 H TRP 27 H TRP 27 -3.931 1.905 5.743
157 HA TRP 27 HA TRP 27 -5.948 0.574 4.169
158 HB2 TRP 27 HB2 TRP 27 -3.373 1.793 3.170
159 HB3 TRP 27 HB3 TRP 27 -4.854 1.506 2.261
160 HD1 TRP 27 HD1 TRP 27 -7.050 2.894 3.817
161 HE1 TRP 27 HE1 TRP 27 -7.038 5.426 4.281
162 HE3 TRP 27 HE3 TRP 27 -2.052 3.801 3.241
163 HZ2 TRP 27 HZ2 TRP 27 -5.159 7.529 4.387
164 HZ3 TRP 27 HZ3 TRP 27 -1.228 6.100 3.540
165 HH2 TRP 27 HH2 TRP 27 -2.751 7.924 4.101
166 H GLY 28 H GLY 28 -2.388 0.342 4.025
167 HA2 GLY 28 HA2 GLY 28 -1.212 -1.729 4.352
168 HA3 GLY 28 HA3 GLY 28 -2.669 -2.586 3.874
169 H VAL 29 H VAL 29 -1.583 0.194 2.089
170 HA VAL 29 HA VAL 29 -0.440 -1.537 0.010
171 HB VAL 29 HB VAL 29 -1.612 -0.082 -1.706
172 HG11 VAL 29 HG11 VAL 29 -3.660 -1.403 -1.643
173 HG12 VAL 29 HG12 VAL 29 -2.258 -2.400 -1.248
174 HG13 VAL 29 HG13 VAL 29 -3.336 -1.844 0.033
175 HG21 VAL 29 HG21 VAL 29 -2.346 1.420 0.441
176 HG22 VAL 29 HG22 VAL 29 -3.141 1.461 -1.133
177 HG23 VAL 29 HG23 VAL 29 -3.803 0.467 0.164
Start of MODEL 8
1 H1 CYS 1 H CYS 1 0.988 0.456 0.839
2 HA CYS 1 HA CYS 1 1.908 1.489 -1.739
3 HB2 CYS 1 HB2 CYS 1 3.407 -0.127 0.334
4 HB3 CYS 1 HB3 CYS 1 4.103 0.630 -1.096
5 H GLY 2 H GLY 2 1.994 -1.665 -0.059
6 HA2 GLY 2 HA2 GLY 2 0.992 -3.631 -1.028
7 HA3 GLY 2 HA3 GLY 2 1.269 -2.934 -2.617
8 H GLU 3 H GLU 3 3.115 -3.940 0.262
9 HA GLU 3 HA GLU 3 4.944 -5.389 -1.502
10 HB2 GLU 3 HB2 GLU 3 5.687 -3.176 0.379
11 HB3 GLU 3 HB3 GLU 3 6.825 -4.479 0.066
12 HG2 GLU 3 HG2 GLU 3 6.891 -3.959 -2.262
13 HG3 GLU 3 HG3 GLU 3 5.576 -2.798 -2.091
14 H THR 4 H THR 4 6.588 -6.640 -0.055
15 HA THR 4 HA THR 4 5.030 -7.899 2.103
16 HB THR 4 HB THR 4 7.057 -9.666 1.573
17 HG1 THR 4 HG1 THR 4 6.929 -9.807 -0.805
18 HG21 THR 4 HG21 THR 4 5.342 -10.983 0.400
19 HG22 THR 4 HG22 THR 4 4.330 -9.545 0.278
20 HG23 THR 4 HG23 THR 4 4.701 -10.231 1.859
21 H CYS 5 H CYS 5 5.909 -8.200 4.105
22 HA CYS 5 HA CYS 5 8.669 -7.293 4.541
23 HB2 CYS 5 HB2 CYS 5 6.437 -5.806 5.263
24 HB3 CYS 5 HB3 CYS 5 6.896 -6.623 6.754
25 H VAL 6 H VAL 6 7.052 -9.905 4.497
26 HA VAL 6 HA VAL 6 6.773 -11.051 6.975
27 HB VAL 6 HB VAL 6 7.925 -12.437 4.550
28 HG11 VAL 6 HG11 VAL 6 6.589 -14.371 5.658
29 HG12 VAL 6 HG12 VAL 6 8.187 -13.950 6.280
30 HG13 VAL 6 HG13 VAL 6 6.738 -13.397 7.121
31 HG21 VAL 6 HG21 VAL 6 5.247 -11.407 5.149
32 HG22 VAL 6 HG22 VAL 6 5.979 -11.833 3.603
33 HG23 VAL 6 HG23 VAL 6 5.282 -13.091 4.624
34 H GLY 7 H GLY 7 9.744 -10.931 5.013
35 HA2 GLY 7 HA2 GLY 7 11.397 -12.290 6.835
36 HA3 GLY 7 HA3 GLY 7 11.951 -11.180 5.590
37 H GLY 8 H GLY 8 10.267 -9.002 6.791
38 HA2 GLY 8 HA2 GLY 8 10.295 -7.630 8.725
39 HA3 GLY 8 HA3 GLY 8 11.667 -8.550 9.326
40 H THR 9 H THR 9 11.713 -7.520 6.034
41 HA THR 9 HA THR 9 13.214 -5.100 6.627
42 HB THR 9 HB THR 9 15.042 -6.600 6.683
43 HG1 THR 9 HG1 THR 9 16.079 -6.102 4.572
44 HG21 THR 9 HG21 THR 9 15.255 -8.022 4.383
45 HG22 THR 9 HG22 THR 9 13.507 -8.031 4.617
46 HG23 THR 9 HG23 THR 9 14.569 -8.656 5.878
47 H CYS 10 H CYS 10 11.609 -3.967 5.537
48 HA CYS 10 HA CYS 10 11.825 -4.061 2.639
49 HB2 CYS 10 HB2 CYS 10 9.420 -4.153 2.271
50 HB3 CYS 10 HB3 CYS 10 9.947 -5.582 3.155
51 H ASN 11 H ASN 11 12.608 -2.220 4.767
52 HA ASN 11 HA ASN 11 10.895 -0.024 5.000
53 HB2 ASN 11 HB2 ASN 11 13.166 -0.578 6.187
54 HB3 ASN 11 HB3 ASN 11 13.867 0.350 4.864
55 HD21 ASN 11 HD21 ASN 11 13.440 2.550 4.708
56 HD22 ASN 11 HD22 ASN 11 12.799 3.455 6.032
57 H THR 12 H THR 12 10.298 1.541 3.646
58 HA THR 12 HA THR 12 11.946 2.125 1.296
59 HB THR 12 HB THR 12 9.348 2.351 0.327
60 HG1 THR 12 HG1 THR 12 9.105 0.769 2.310
61 HG21 THR 12 HG21 THR 12 11.750 0.807 -0.192
62 HG22 THR 12 HG22 THR 12 10.592 1.502 -1.325
63 HG23 THR 12 HG23 THR 12 10.289 -0.084 -0.616
64 HA PRO 13 HA PRO 13 11.021 6.329 2.165
65 HB2 PRO 13 HB2 PRO 13 11.044 7.407 -0.326
66 HB3 PRO 13 HB3 PRO 13 12.511 6.879 0.505
67 HG2 PRO 13 HG2 PRO 13 10.906 5.463 -1.587
68 HG3 PRO 13 HG3 PRO 13 12.667 5.609 -1.437
69 HD2 PRO 13 HD2 PRO 13 11.319 3.388 -0.674
70 HD3 PRO 13 HD3 PRO 13 12.797 3.936 0.143
71 H GLY 14 H GLY 14 8.904 6.256 2.960
72 HA2 GLY 14 HA2 GLY 14 6.848 7.510 2.626
73 HA3 GLY 14 HA3 GLY 14 6.843 6.946 0.962
74 H CYS 15 H CYS 15 7.818 4.369 2.715
75 HA CYS 15 HA CYS 15 5.069 3.441 3.220
76 HB2 CYS 15 HB2 CYS 15 7.316 1.835 1.983
77 HB3 CYS 15 HB3 CYS 15 5.717 1.217 2.385
78 H THR 16 H THR 16 4.759 2.118 4.986
79 HA THR 16 HA THR 16 7.081 1.836 6.780
80 HB THR 16 HB THR 16 5.199 1.679 8.579
81 HG1 THR 16 HG1 THR 16 3.816 3.380 6.808
82 HG21 THR 16 HG21 THR 16 6.901 3.515 8.266
83 HG22 THR 16 HG22 THR 16 5.381 4.015 9.008
84 HG23 THR 16 HG23 THR 16 5.691 4.368 7.308
85 H CYS 17 H CYS 17 7.572 -0.130 7.574
86 HA CYS 17 HA CYS 17 6.562 -2.453 6.383
87 HB2 CYS 17 HB2 CYS 17 8.805 -2.230 7.462
88 HB3 CYS 17 HB3 CYS 17 8.008 -2.261 9.032
89 H SER 18 H SER 18 5.002 -3.884 6.923
90 HA SER 18 HA SER 18 3.616 -3.573 9.485
91 HB2 SER 18 HB2 SER 18 2.165 -3.718 6.832
92 HB3 SER 18 HB3 SER 18 1.427 -3.584 8.428
93 HG SER 18 HG SER 18 2.313 -1.635 6.828
94 H TRP 19 H TRP 19 5.309 -5.558 9.225
95 HA TRP 19 HA TRP 19 4.894 -7.878 7.967
96 HB2 TRP 19 HB2 TRP 19 6.571 -7.503 9.774
97 HB3 TRP 19 HB3 TRP 19 5.290 -7.725 10.962
98 HD1 TRP 19 HD1 TRP 19 7.748 -9.634 8.887
99 HE1 TRP 19 HE1 TRP 19 7.434 -12.161 9.262
100 HE3 TRP 19 HE3 TRP 19 3.309 -9.533 11.420
101 HZ2 TRP 19 HZ2 TRP 19 5.553 -13.883 10.471
102 HZ3 TRP 19 HZ3 TRP 19 2.319 -11.664 12.150
103 HH2 TRP 19 HH2 TRP 19 3.419 -13.793 11.684
104 HA PRO 20 HA PRO 20 4.710 -10.032 7.946
105 HB2 PRO 20 HB2 PRO 20 3.122 -11.351 6.182
106 HB3 PRO 20 HB3 PRO 20 3.419 -11.929 7.826
107 HG2 PRO 20 HG2 PRO 20 1.070 -10.421 6.744
108 HG3 PRO 20 HG3 PRO 20 1.097 -11.804 7.853
109 HD2 PRO 20 HD2 PRO 20 0.758 -9.257 8.708
110 HD3 PRO 20 HD3 PRO 20 1.587 -10.489 9.682
111 H VAL 21 H VAL 21 1.902 -8.469 6.431
112 HA VAL 21 HA VAL 21 3.073 -8.045 3.905
113 HB VAL 21 HB VAL 21 1.324 -6.334 3.573
114 HG11 VAL 21 HG11 VAL 21 0.357 -8.875 4.879
115 HG12 VAL 21 HG12 VAL 21 -0.602 -7.830 3.829
116 HG13 VAL 21 HG13 VAL 21 0.804 -8.679 3.184
117 HG21 VAL 21 HG21 VAL 21 -0.313 -5.919 5.357
118 HG22 VAL 21 HG22 VAL 21 0.670 -6.872 6.469
119 HG23 VAL 21 HG23 VAL 21 1.302 -5.366 5.803
120 H CYS 22 H CYS 22 3.022 -5.508 3.180
121 HA CYS 22 HA CYS 22 4.637 -3.958 5.065
122 HB2 CYS 22 HB2 CYS 22 6.060 -5.342 3.401
123 HB3 CYS 22 HB3 CYS 22 5.507 -4.184 2.196
124 H GLY 23 H GLY 23 4.572 -1.718 4.748
125 HA2 GLY 23 HA2 GLY 23 3.968 0.105 3.151
126 HA3 GLY 23 HA3 GLY 23 2.517 -0.829 2.818
127 H HIS 24 H HIS 24 1.048 -1.204 4.676
128 HA HIS 24 HA HIS 24 1.266 0.665 6.882
129 HB2 HIS 24 HB2 HIS 24 -1.057 0.824 4.950
130 HB3 HIS 24 HB3 HIS 24 -0.886 1.747 6.440
131 HD1 HIS 24 HD1 HIS 24 0.868 3.677 6.441
132 HD2 HIS 24 HD2 HIS 24 0.363 1.800 2.770
133 HE1 HIS 24 HE1 HIS 24 1.964 5.189 4.757
134 H PHE 25 H PHE 25 -1.204 0.554 7.945
135 HA PHE 25 HA PHE 25 -1.682 -2.333 8.293
136 HB2 PHE 25 HB2 PHE 25 -0.652 -1.211 10.266
137 HB3 PHE 25 HB3 PHE 25 -2.061 -0.159 10.362
138 HD1 PHE 25 HD1 PHE 25 -1.237 -3.795 10.219
139 HD2 PHE 25 HD2 PHE 25 -3.740 -0.743 11.810
140 HE1 PHE 25 HE1 PHE 25 -2.382 -5.467 11.614
141 HE2 PHE 25 HE2 PHE 25 -4.889 -2.409 13.209
142 HZ PHE 25 HZ PHE 25 -4.210 -4.775 13.113
143 H ARG 26 H ARG 26 -3.113 0.850 7.989
144 HA ARG 26 HA ARG 26 -5.815 -0.103 8.292
145 HB2 ARG 26 HB2 ARG 26 -4.723 2.313 8.670
146 HB3 ARG 26 HB3 ARG 26 -5.268 2.520 7.010
147 HG2 ARG 26 HG2 ARG 26 -7.536 1.682 7.851
148 HG3 ARG 26 HG3 ARG 26 -6.897 1.993 9.466
149 HD2 ARG 26 HD2 ARG 26 -6.819 4.082 7.314
150 HD3 ARG 26 HD3 ARG 26 -8.249 3.849 8.319
151 HE ARG 26 HE ARG 26 -5.764 5.061 9.096
152 HH11 ARG 26 HH11 ARG 26 -8.599 3.383 10.221
153 HH12 ARG 26 HH12 ARG 26 -8.500 4.022 11.828
154 HH21 ARG 26 HH21 ARG 26 -5.622 5.909 11.209
155 HH22 ARG 26 HH22 ARG 26 -6.806 5.460 12.388
156 H TRP 27 H TRP 27 -3.945 1.270 5.583
157 HA TRP 27 HA TRP 27 -5.940 0.324 3.694
158 HB2 TRP 27 HB2 TRP 27 -3.333 1.719 3.077
159 HB3 TRP 27 HB3 TRP 27 -4.747 1.577 2.036
160 HD1 TRP 27 HD1 TRP 27 -7.069 2.643 3.659
161 HE1 TRP 27 HE1 TRP 27 -7.148 5.054 4.554
162 HE3 TRP 27 HE3 TRP 27 -2.068 3.701 3.584
163 HZ2 TRP 27 HZ2 TRP 27 -5.331 7.131 5.150
164 HZ3 TRP 27 HZ3 TRP 27 -1.321 5.923 4.333
165 HH2 TRP 27 HH2 TRP 27 -2.921 7.601 5.099
166 H GLY 28 H GLY 28 -2.375 0.118 3.708
167 HA2 GLY 28 HA2 GLY 28 -1.138 -1.909 3.644
168 HA3 GLY 28 HA3 GLY 28 -2.588 -2.745 3.110
169 H VAL 29 H VAL 29 -1.919 0.234 1.559
170 HA VAL 29 HA VAL 29 -0.564 -1.111 -0.669
171 HB VAL 29 HB VAL 29 -2.023 -0.099 -2.314
172 HG11 VAL 29 HG11 VAL 29 -3.597 -1.561 -0.197
173 HG12 VAL 29 HG12 VAL 29 -4.074 -1.367 -1.885
174 HG13 VAL 29 HG13 VAL 29 -2.635 -2.303 -1.475
175 HG21 VAL 29 HG21 VAL 29 -3.088 1.313 0.054
176 HG22 VAL 29 HG22 VAL 29 -2.893 1.871 -1.607
177 HG23 VAL 29 HG23 VAL 29 -4.260 0.843 -1.177
Start of MODEL 9
1 H1 CYS 1 H CYS 1 1.109 -0.638 0.748
2 HA CYS 1 HA CYS 1 2.020 0.593 -1.642
3 HB2 CYS 1 HB2 CYS 1 3.430 -1.189 0.353
4 HB3 CYS 1 HB3 CYS 1 4.241 -0.368 -0.976
5 H GLY 2 H GLY 2 1.232 -2.691 -0.751
6 HA2 GLY 2 HA2 GLY 2 0.697 -4.406 -2.257
7 HA3 GLY 2 HA3 GLY 2 1.445 -3.475 -3.547
8 H GLU 3 H GLU 3 2.773 -4.500 -0.418
9 HA GLU 3 HA GLU 3 4.536 -6.396 -1.744
10 HB2 GLU 3 HB2 GLU 3 5.552 -3.988 -0.230
11 HB3 GLU 3 HB3 GLU 3 6.547 -5.377 -0.642
12 HG2 GLU 3 HG2 GLU 3 5.125 -3.639 -2.644
13 HG3 GLU 3 HG3 GLU 3 6.818 -3.471 -2.185
14 H THR 4 H THR 4 6.089 -7.346 0.027
15 HA THR 4 HA THR 4 4.770 -7.516 2.629
16 HB THR 4 HB THR 4 3.713 -9.347 1.555
17 HG1 THR 4 HG1 THR 4 4.403 -10.972 2.867
18 HG21 THR 4 HG21 THR 4 6.434 -10.223 0.577
19 HG22 THR 4 HG22 THR 4 5.187 -9.466 -0.413
20 HG23 THR 4 HG23 THR 4 4.907 -11.056 0.294
21 H CYS 5 H CYS 5 6.229 -7.414 4.200
22 HA CYS 5 HA CYS 5 9.033 -8.000 3.547
23 HB2 CYS 5 HB2 CYS 5 9.540 -6.649 5.593
24 HB3 CYS 5 HB3 CYS 5 8.720 -5.745 4.323
25 H VAL 6 H VAL 6 8.007 -10.311 3.821
26 HA VAL 6 HA VAL 6 7.382 -11.378 6.301
27 HB VAL 6 HB VAL 6 8.320 -13.548 5.371
28 HG11 VAL 6 HG11 VAL 6 6.596 -13.535 3.447
29 HG12 VAL 6 HG12 VAL 6 6.030 -13.270 5.097
30 HG13 VAL 6 HG13 VAL 6 6.228 -11.902 4.001
31 HG21 VAL 6 HG21 VAL 6 9.927 -12.157 3.860
32 HG22 VAL 6 HG22 VAL 6 9.243 -13.667 3.260
33 HG23 VAL 6 HG23 VAL 6 8.552 -12.125 2.755
34 H GLY 7 H GLY 7 10.460 -10.410 5.020
35 HA2 GLY 7 HA2 GLY 7 12.038 -11.891 6.915
36 HA3 GLY 7 HA3 GLY 7 12.615 -10.633 5.832
37 H GLY 8 H GLY 8 10.434 -8.822 6.908
38 HA2 GLY 8 HA2 GLY 8 10.001 -7.654 8.939
39 HA3 GLY 8 HA3 GLY 8 11.474 -8.338 9.611
40 H THR 9 H THR 9 11.279 -6.866 6.435
41 HA THR 9 HA THR 9 12.492 -4.400 7.402
42 HB THR 9 HB THR 9 14.486 -5.638 7.056
43 HG1 THR 9 HG1 THR 9 14.298 -4.398 4.539
44 HG21 THR 9 HG21 THR 9 12.942 -6.903 4.942
45 HG22 THR 9 HG22 THR 9 14.349 -7.500 5.822
46 HG23 THR 9 HG23 THR 9 14.565 -6.462 4.413
47 H CYS 10 H CYS 10 11.239 -2.895 6.519
48 HA CYS 10 HA CYS 10 10.873 -2.858 3.638
49 HB2 CYS 10 HB2 CYS 10 8.859 -3.943 5.164
50 HB3 CYS 10 HB3 CYS 10 8.358 -2.261 5.024
51 H ASN 11 H ASN 11 12.267 -1.289 5.728
52 HA ASN 11 HA ASN 11 10.932 1.150 6.188
53 HB2 ASN 11 HB2 ASN 11 13.889 0.520 6.082
54 HB3 ASN 11 HB3 ASN 11 13.218 2.043 6.659
55 HD21 ASN 11 HD21 ASN 11 13.071 2.179 8.766
56 HD22 ASN 11 HD22 ASN 11 12.818 0.868 9.862
57 H THR 12 H THR 12 10.024 2.022 4.369
58 HA THR 12 HA THR 12 11.917 3.058 2.371
59 HB THR 12 HB THR 12 9.581 2.758 0.934
60 HG1 THR 12 HG1 THR 12 9.121 0.467 1.290
61 HG21 THR 12 HG21 THR 12 11.142 0.473 0.421
62 HG22 THR 12 HG22 THR 12 12.263 1.735 0.931
63 HG23 THR 12 HG23 THR 12 11.178 2.016 -0.430
64 HA PRO 13 HA PRO 13 9.989 6.964 2.909
65 HB2 PRO 13 HB2 PRO 13 10.095 7.994 0.400
66 HB3 PRO 13 HB3 PRO 13 11.524 7.810 1.424
67 HG2 PRO 13 HG2 PRO 13 10.543 6.052 -0.792
68 HG3 PRO 13 HG3 PRO 13 12.196 6.584 -0.434
69 HD2 PRO 13 HD2 PRO 13 11.275 4.129 0.244
70 HD3 PRO 13 HD3 PRO 13 12.483 4.997 1.213
71 H GLY 14 H GLY 14 7.855 6.360 3.439
72 HA2 GLY 14 HA2 GLY 14 5.619 7.078 2.889
73 HA3 GLY 14 HA3 GLY 14 5.958 6.692 1.208
74 H CYS 15 H CYS 15 7.257 4.289 3.082
75 HA CYS 15 HA CYS 15 4.782 2.707 3.106
76 HB2 CYS 15 HB2 CYS 15 7.392 2.009 1.784
77 HB3 CYS 15 HB3 CYS 15 6.286 0.752 2.327
78 H THR 16 H THR 16 4.509 1.490 4.880
79 HA THR 16 HA THR 16 6.786 1.264 6.739
80 HB THR 16 HB THR 16 4.802 0.978 8.456
81 HG1 THR 16 HG1 THR 16 2.996 2.201 7.851
82 HG21 THR 16 HG21 THR 16 5.257 3.102 9.183
83 HG22 THR 16 HG22 THR 16 5.162 3.794 7.563
84 HG23 THR 16 HG23 THR 16 6.594 2.889 8.053
85 H CYS 17 H CYS 17 7.399 -0.719 7.322
86 HA CYS 17 HA CYS 17 6.423 -3.028 6.116
87 HB2 CYS 17 HB2 CYS 17 8.670 -2.806 7.149
88 HB3 CYS 17 HB3 CYS 17 7.918 -2.843 8.740
89 H SER 18 H SER 18 5.026 -4.635 6.725
90 HA SER 18 HA SER 18 3.625 -4.405 9.277
91 HB2 SER 18 HB2 SER 18 2.416 -3.142 7.340
92 HB3 SER 18 HB3 SER 18 1.982 -4.760 6.788
93 HG SER 18 HG SER 18 1.204 -5.053 9.037
94 H TRP 19 H TRP 19 5.403 -6.309 8.923
95 HA TRP 19 HA TRP 19 5.054 -8.613 7.616
96 HB2 TRP 19 HB2 TRP 19 6.740 -8.171 9.431
97 HB3 TRP 19 HB3 TRP 19 5.492 -8.572 10.607
98 HD1 TRP 19 HD1 TRP 19 7.991 -10.147 8.267
99 HE1 TRP 19 HE1 TRP 19 7.915 -12.707 8.529
100 HE3 TRP 19 HE3 TRP 19 3.780 -10.545 11.139
101 HZ2 TRP 19 HZ2 TRP 19 6.286 -14.639 9.786
102 HZ3 TRP 19 HZ3 TRP 19 3.030 -12.785 11.829
103 HH2 TRP 19 HH2 TRP 19 4.258 -14.788 11.165
104 HA PRO 20 HA PRO 20 4.958 -10.771 7.542
105 HB2 PRO 20 HB2 PRO 20 3.383 -12.109 5.781
106 HB3 PRO 20 HB3 PRO 20 3.745 -12.717 7.401
107 HG2 PRO 20 HG2 PRO 20 1.309 -11.281 6.416
108 HG3 PRO 20 HG3 PRO 20 1.421 -12.690 7.487
109 HD2 PRO 20 HD2 PRO 20 0.998 -10.183 8.417
110 HD3 PRO 20 HD3 PRO 20 1.901 -11.403 9.338
111 H VAL 21 H VAL 21 2.068 -9.233 6.177
112 HA VAL 21 HA VAL 21 3.190 -8.698 3.629
113 HB VAL 21 HB VAL 21 1.300 -7.291 3.224
114 HG11 VAL 21 HG11 VAL 21 0.378 -9.514 5.039
115 HG12 VAL 21 HG12 VAL 21 -0.523 -8.776 3.712
116 HG13 VAL 21 HG13 VAL 21 0.914 -9.742 3.374
117 HG21 VAL 21 HG21 VAL 21 -0.271 -6.691 5.066
118 HG22 VAL 21 HG22 VAL 21 0.921 -7.296 6.215
119 HG23 VAL 21 HG23 VAL 21 1.309 -5.917 5.187
120 H CYS 22 H CYS 22 2.778 -6.060 3.101
121 HA CYS 22 HA CYS 22 4.266 -4.453 5.003
122 HB2 CYS 22 HB2 CYS 22 6.108 -5.426 3.815
123 HB3 CYS 22 HB3 CYS 22 5.337 -5.128 2.260
124 H GLY 23 H GLY 23 3.858 -2.285 4.814
125 HA2 GLY 23 HA2 GLY 23 3.232 -0.624 2.876
126 HA3 GLY 23 HA3 GLY 23 1.751 -1.569 2.912
127 H HIS 24 H HIS 24 0.325 -1.351 4.636
128 HA HIS 24 HA HIS 24 0.984 0.503 6.778
129 HB2 HIS 24 HB2 HIS 24 -1.402 1.005 4.991
130 HB3 HIS 24 HB3 HIS 24 -0.886 1.980 6.363
131 HD1 HIS 24 HD1 HIS 24 1.259 3.449 6.024
132 HD2 HIS 24 HD2 HIS 24 -0.106 1.529 2.602
133 HE1 HIS 24 HE1 HIS 24 2.438 4.572 4.107
134 H PHE 25 H PHE 25 -1.457 0.885 7.893
135 HA PHE 25 HA PHE 25 -2.380 -1.861 8.433
136 HB2 PHE 25 HB2 PHE 25 -2.983 0.056 10.535
137 HB3 PHE 25 HB3 PHE 25 -2.170 -1.502 10.639
138 HD1 PHE 25 HD2 PHE 25 0.258 -1.655 10.397
139 HD2 PHE 25 HD1 PHE 25 -1.750 2.098 10.382
140 HE1 PHE 25 HE2 PHE 25 2.400 -0.511 10.795
141 HE2 PHE 25 HE1 PHE 25 0.388 3.248 10.780
142 HZ PHE 25 HZ PHE 25 2.467 1.943 10.988
143 H ARG 26 H ARG 26 -3.335 1.511 8.073
144 HA ARG 26 HA ARG 26 -6.128 1.023 8.427
145 HB2 ARG 26 HB2 ARG 26 -4.405 3.303 7.946
146 HB3 ARG 26 HB3 ARG 26 -5.853 3.381 6.951
147 HG2 ARG 26 HG2 ARG 26 -6.904 2.702 9.361
148 HG3 ARG 26 HG3 ARG 26 -5.531 3.700 9.843
149 HD2 ARG 26 HD2 ARG 26 -6.325 5.558 8.635
150 HD3 ARG 26 HD3 ARG 26 -7.476 4.577 7.729
151 HE ARG 26 HE ARG 26 -8.970 4.872 9.423
152 HH11 ARG 26 HH11 ARG 26 -5.769 5.478 10.650
153 HH12 ARG 26 HH12 ARG 26 -6.323 5.995 12.208
154 HH21 ARG 26 HH21 ARG 26 -9.712 5.551 11.470
155 HH22 ARG 26 HH22 ARG 26 -8.566 6.035 12.674
156 H TRP 27 H TRP 27 -4.195 1.876 5.550
157 HA TRP 27 HA TRP 27 -6.368 1.100 3.801
158 HB2 TRP 27 HB2 TRP 27 -3.566 1.913 3.017
159 HB3 TRP 27 HB3 TRP 27 -5.008 1.929 2.006
160 HD1 TRP 27 HD1 TRP 27 -7.055 3.577 3.478
161 HE1 TRP 27 HE1 TRP 27 -6.668 6.035 4.137
162 HE3 TRP 27 HE3 TRP 27 -1.944 3.651 3.371
163 HZ2 TRP 27 HZ2 TRP 27 -4.485 7.775 4.554
164 HZ3 TRP 27 HZ3 TRP 27 -0.784 5.752 3.912
165 HH2 TRP 27 HH2 TRP 27 -2.030 7.770 4.491
166 H GLY 28 H GLY 28 -2.907 0.230 3.746
167 HA2 GLY 28 HA2 GLY 28 -2.074 -1.995 3.881
168 HA3 GLY 28 HA3 GLY 28 -3.674 -2.588 3.459
169 H VAL 29 H VAL 29 -1.661 -0.135 1.867
170 HA VAL 29 HA VAL 29 -1.182 -1.919 -0.381
171 HB VAL 29 HB VAL 29 -2.031 -0.245 -2.022
172 HG11 VAL 29 HG11 VAL 29 -3.316 -2.287 -1.047
173 HG12 VAL 29 HG12 VAL 29 -4.327 -1.055 -0.289
174 HG13 VAL 29 HG13 VAL 29 -4.171 -1.112 -2.045
175 HG21 VAL 29 HG21 VAL 29 -3.647 1.437 -1.244
176 HG22 VAL 29 HG22 VAL 29 -3.275 1.007 0.426
177 HG23 VAL 29 HG23 VAL 29 -2.031 1.723 -0.598
Start of MODEL 10
1 H1 CYS 1 H CYS 1 1.528 -0.798 0.683
2 HA CYS 1 HA CYS 1 2.327 0.403 -1.832
3 HB2 CYS 1 HB2 CYS 1 3.671 -0.844 0.459
4 HB3 CYS 1 HB3 CYS 1 4.387 -1.261 -1.094
5 H GLY 2 H GLY 2 1.284 -2.685 -0.619
6 HA2 GLY 2 HA2 GLY 2 0.466 -4.458 -1.900
7 HA3 GLY 2 HA3 GLY 2 1.130 -3.696 -3.337
8 H GLU 3 H GLU 3 3.029 -4.258 -0.455
9 HA GLU 3 HA GLU 3 4.436 -6.437 -1.851
10 HB2 GLU 3 HB2 GLU 3 5.739 -4.290 -0.168
11 HB3 GLU 3 HB3 GLU 3 6.557 -5.590 -1.024
12 HG2 GLU 3 HG2 GLU 3 4.912 -3.500 -2.418
13 HG3 GLU 3 HG3 GLU 3 6.637 -3.320 -2.106
14 H THR 4 H THR 4 6.154 -7.318 -0.050
15 HA THR 4 HA THR 4 4.797 -7.649 2.514
16 HB THR 4 HB THR 4 3.854 -9.515 1.442
17 HG1 THR 4 HG1 THR 4 4.510 -10.754 3.016
18 HG21 THR 4 HG21 THR 4 6.479 -9.667 0.047
19 HG22 THR 4 HG22 THR 4 4.845 -9.826 -0.599
20 HG23 THR 4 HG23 THR 4 5.578 -11.164 0.286
21 H CYS 5 H CYS 5 6.208 -7.602 4.139
22 HA CYS 5 HA CYS 5 9.055 -8.010 3.513
23 HB2 CYS 5 HB2 CYS 5 9.467 -6.656 5.582
24 HB3 CYS 5 HB3 CYS 5 8.645 -5.776 4.297
25 H VAL 6 H VAL 6 8.146 -10.363 3.753
26 HA VAL 6 HA VAL 6 7.494 -11.489 6.194
27 HB VAL 6 HB VAL 6 9.227 -12.787 4.088
28 HG11 VAL 6 HG11 VAL 6 9.277 -14.309 5.783
29 HG12 VAL 6 HG12 VAL 6 7.744 -13.766 6.467
30 HG13 VAL 6 HG13 VAL 6 7.756 -14.783 5.027
31 HG21 VAL 6 HG21 VAL 6 7.347 -12.031 2.912
32 HG22 VAL 6 HG22 VAL 6 6.964 -13.703 3.321
33 HG23 VAL 6 HG23 VAL 6 6.256 -12.383 4.251
34 H GLY 7 H GLY 7 10.574 -10.357 5.039
35 HA2 GLY 7 HA2 GLY 7 12.172 -11.755 6.958
36 HA3 GLY 7 HA3 GLY 7 12.687 -10.402 5.961
37 H GLY 8 H GLY 8 10.391 -8.766 6.979
38 HA2 GLY 8 HA2 GLY 8 9.759 -7.747 9.048
39 HA3 GLY 8 HA3 GLY 8 11.238 -8.365 9.766
40 H THR 9 H THR 9 11.140 -6.774 6.649
41 HA THR 9 HA THR 9 12.071 -4.258 7.771
42 HB THR 9 HB THR 9 14.180 -5.352 7.609
43 HG1 THR 9 HG1 THR 9 14.885 -3.586 6.698
44 HG21 THR 9 HG21 THR 9 14.355 -7.139 6.278
45 HG22 THR 9 HG22 THR 9 14.570 -6.018 4.934
46 HG23 THR 9 HG23 THR 9 12.964 -6.639 5.317
47 H CYS 10 H CYS 10 10.880 -2.786 6.765
48 HA CYS 10 HA CYS 10 10.753 -2.765 3.865
49 HB2 CYS 10 HB2 CYS 10 8.687 -3.980 5.157
50 HB3 CYS 10 HB3 CYS 10 8.111 -2.318 5.098
51 H ASN 11 H ASN 11 12.189 -1.042 5.325
52 HA ASN 11 HA ASN 11 10.662 1.312 5.996
53 HB2 ASN 11 HB2 ASN 11 13.582 0.611 6.001
54 HB3 ASN 11 HB3 ASN 11 13.071 2.288 6.172
55 HD21 ASN 11 HD21 ASN 11 13.640 -0.618 7.751
56 HD22 ASN 11 HD22 ASN 11 12.958 -0.212 9.286
57 H THR 12 H THR 12 9.642 1.871 4.053
58 HA THR 12 HA THR 12 11.436 2.837 1.923
59 HB THR 12 HB THR 12 8.978 2.805 0.743
60 HG1 THR 12 HG1 THR 12 8.199 1.683 2.696
61 HG21 THR 12 HG21 THR 12 10.927 0.500 0.865
62 HG22 THR 12 HG22 THR 12 11.072 1.911 -0.182
63 HG23 THR 12 HG23 THR 12 9.733 0.785 -0.400
64 HA PRO 13 HA PRO 13 10.095 6.973 2.522
65 HB2 PRO 13 HB2 PRO 13 10.011 7.908 -0.025
66 HB3 PRO 13 HB3 PRO 13 11.524 7.570 0.825
67 HG2 PRO 13 HG2 PRO 13 10.059 5.893 -1.175
68 HG3 PRO 13 HG3 PRO 13 11.798 6.215 -1.045
69 HD2 PRO 13 HD2 PRO 13 10.671 3.921 -0.152
70 HD3 PRO 13 HD3 PRO 13 12.091 4.653 0.624
71 H GLY 14 H GLY 14 7.972 6.521 3.325
72 HA2 GLY 14 HA2 GLY 14 5.786 7.518 3.058
73 HA3 GLY 14 HA3 GLY 14 5.873 7.130 1.346
74 H CYS 15 H CYS 15 7.091 4.579 3.113
75 HA CYS 15 HA CYS 15 4.487 3.293 3.475
76 HB2 CYS 15 HB2 CYS 15 6.482 2.611 1.432
77 HB3 CYS 15 HB3 CYS 15 5.962 1.240 2.406
78 H THR 16 H THR 16 4.527 1.458 4.867
79 HA THR 16 HA THR 16 6.982 1.221 6.480
80 HB THR 16 HB THR 16 5.444 0.756 8.442
81 HG1 THR 16 HG1 THR 16 3.312 1.601 8.216
82 HG21 THR 16 HG21 THR 16 6.640 2.978 7.828
83 HG22 THR 16 HG22 THR 16 5.385 2.994 9.066
84 HG23 THR 16 HG23 THR 16 5.018 3.543 7.431
85 H CYS 17 H CYS 17 6.831 -0.816 7.929
86 HA CYS 17 HA CYS 17 6.226 -3.050 6.154
87 HB2 CYS 17 HB2 CYS 17 8.454 -2.923 7.212
88 HB3 CYS 17 HB3 CYS 17 7.696 -3.008 8.798
89 H SER 18 H SER 18 4.896 -4.766 6.699
90 HA SER 18 HA SER 18 3.404 -4.639 9.204
91 HB2 SER 18 HB2 SER 18 2.045 -4.694 6.498
92 HB3 SER 18 HB3 SER 18 1.236 -4.813 8.060
93 HG SER 18 HG SER 18 1.479 -2.650 6.894
94 H TRP 19 H TRP 19 5.245 -6.480 8.872
95 HA TRP 19 HA TRP 19 5.002 -8.761 7.492
96 HB2 TRP 19 HB2 TRP 19 6.632 -8.315 9.355
97 HB3 TRP 19 HB3 TRP 19 5.369 -8.775 10.493
98 HD1 TRP 19 HD1 TRP 19 7.967 -10.230 8.185
99 HE1 TRP 19 HE1 TRP 19 7.956 -12.796 8.389
100 HE3 TRP 19 HE3 TRP 19 3.697 -10.807 10.936
101 HZ2 TRP 19 HZ2 TRP 19 6.349 -14.799 9.560
102 HZ3 TRP 19 HZ3 TRP 19 2.992 -13.081 11.556
103 HH2 TRP 19 HH2 TRP 19 4.291 -15.035 10.881
104 HA PRO 20 HA PRO 20 4.977 -10.921 7.371
105 HB2 PRO 20 HB2 PRO 20 3.489 -12.268 5.543
106 HB3 PRO 20 HB3 PRO 20 3.828 -12.899 7.159
107 HG2 PRO 20 HG2 PRO 20 1.375 -11.517 6.141
108 HG3 PRO 20 HG3 PRO 20 1.503 -12.945 7.185
109 HD2 PRO 20 HD2 PRO 20 0.979 -10.473 8.156
110 HD3 PRO 20 HD3 PRO 20 1.896 -11.684 9.074
111 H VAL 21 H VAL 21 2.076 -9.438 5.968
112 HA VAL 21 HA VAL 21 3.228 -8.822 3.456
113 HB VAL 21 HB VAL 21 1.322 -7.428 3.059
114 HG11 VAL 21 HG11 VAL 21 0.364 -9.694 4.796
115 HG12 VAL 21 HG12 VAL 21 -0.461 -8.968 3.415
116 HG13 VAL 21 HG13 VAL 21 1.008 -9.913 3.170
117 HG21 VAL 21 HG21 VAL 21 1.301 -6.133 5.091
118 HG22 VAL 21 HG22 VAL 21 -0.281 -6.878 4.868
119 HG23 VAL 21 HG23 VAL 21 0.854 -7.554 6.036
120 H CYS 22 H CYS 22 2.808 -6.195 2.955
121 HA CYS 22 HA CYS 22 4.264 -4.613 4.915
122 HB2 CYS 22 HB2 CYS 22 6.111 -5.495 3.679
123 HB3 CYS 22 HB3 CYS 22 5.307 -5.192 2.142
124 H GLY 23 H GLY 23 3.823 -2.445 4.804
125 HA2 GLY 23 HA2 GLY 23 3.103 -0.782 2.858
126 HA3 GLY 23 HA3 GLY 23 1.619 -1.704 3.046
127 H HIS 24 H HIS 24 0.296 -1.330 4.782
128 HA HIS 24 HA HIS 24 1.187 0.444 6.908
129 HB2 HIS 24 HB2 HIS 24 -1.215 1.141 5.207
130 HB3 HIS 24 HB3 HIS 24 -0.609 2.048 6.590
131 HD1 HIS 24 HD1 HIS 24 1.541 3.461 6.231
132 HD2 HIS 24 HD2 HIS 24 0.145 1.560 2.811
133 HE1 HIS 24 HE1 HIS 24 2.772 4.531 4.317
134 H PHE 25 H PHE 25 -1.170 0.996 8.131
135 HA PHE 25 HA PHE 25 -2.245 -1.683 8.718
136 HB2 PHE 25 HB2 PHE 25 -2.667 0.319 10.796
137 HB3 PHE 25 HB3 PHE 25 -1.988 -1.300 10.918
138 HD1 PHE 25 HD1 PHE 25 -1.248 2.245 10.427
139 HD2 PHE 25 HD2 PHE 25 0.392 -1.667 10.774
140 HE1 PHE 25 HE1 PHE 25 0.989 3.216 10.754
141 HE2 PHE 25 HE2 PHE 25 2.631 -0.703 11.102
142 HZ PHE 25 HZ PHE 25 2.932 1.742 11.094
143 H ARG 26 H ARG 26 -3.036 1.744 8.399
144 HA ARG 26 HA ARG 26 -5.839 1.396 8.804
145 HB2 ARG 26 HB2 ARG 26 -4.046 3.570 8.491
146 HB3 ARG 26 HB3 ARG 26 -5.279 3.734 7.248
147 HG2 ARG 26 HG2 ARG 26 -6.852 3.203 9.343
148 HG3 ARG 26 HG3 ARG 26 -5.497 3.962 10.181
149 HD2 ARG 26 HD2 ARG 26 -6.170 5.974 9.525
150 HD3 ARG 26 HD3 ARG 26 -6.127 5.471 7.836
151 HE ARG 26 HE ARG 26 -8.403 5.282 7.881
152 HH11 ARG 26 HH11 ARG 26 -7.210 5.324 11.152
153 HH12 ARG 26 HH12 ARG 26 -8.788 5.396 11.864
154 HH21 ARG 26 HH21 ARG 26 -10.485 5.377 8.807
155 HH22 ARG 26 HH22 ARG 26 -10.650 5.425 10.530
156 H TRP 27 H TRP 27 -3.850 1.958 5.905
157 HA TRP 27 HA TRP 27 -6.133 1.325 4.205
158 HB2 TRP 27 HB2 TRP 27 -3.339 2.087 3.343
159 HB3 TRP 27 HB3 TRP 27 -4.808 2.125 2.371
160 HD1 TRP 27 HD1 TRP 27 -6.787 3.812 3.890
161 HE1 TRP 27 HE1 TRP 27 -6.340 6.264 4.532
162 HE3 TRP 27 HE3 TRP 27 -1.680 3.796 3.653
163 HZ2 TRP 27 HZ2 TRP 27 -4.117 7.966 4.890
164 HZ3 TRP 27 HZ3 TRP 27 -0.469 5.877 4.159
165 HH2 TRP 27 HH2 TRP 27 -1.665 7.918 4.764
166 H GLY 28 H GLY 28 -2.690 0.390 4.066
167 HA2 GLY 28 HA2 GLY 28 -1.932 -1.874 4.223
168 HA3 GLY 28 HA3 GLY 28 -3.536 -2.408 3.745
169 H VAL 29 H VAL 29 -1.256 -0.076 2.315
170 HA VAL 29 HA VAL 29 -1.038 -1.786 -0.051
171 HB VAL 29 HB VAL 29 -1.740 1.144 -0.251
172 HG11 VAL 29 HG11 VAL 29 -0.950 0.959 -2.319
173 HG12 VAL 29 HG12 VAL 29 -0.664 -0.770 -2.109
174 HG13 VAL 29 HG13 VAL 29 -2.240 -0.196 -2.655
175 HG21 VAL 29 HG21 VAL 29 -3.473 -1.265 -0.792
176 HG22 VAL 29 HG22 VAL 29 -3.636 -0.170 0.582
177 HG23 VAL 29 HG23 VAL 29 -3.922 0.420 -1.056
Start of MODEL 11
1 H1 CYS 1 H CYS 1 1.282 0.353 -0.078
2 HA CYS 1 HA CYS 1 2.570 0.065 -2.509
3 HB2 CYS 1 HB2 CYS 1 3.205 -0.711 0.295
4 HB3 CYS 1 HB3 CYS 1 4.199 -1.399 -0.985
5 H GLY 2 H GLY 2 1.074 -2.408 -0.472
6 HA2 GLY 2 HA2 GLY 2 0.393 -4.547 -0.958
7 HA3 GLY 2 HA3 GLY 2 0.515 -4.110 -2.656
8 H GLU 3 H GLU 3 3.042 -4.240 -0.167
9 HA GLU 3 HA GLU 3 4.452 -6.200 -1.855
10 HB2 GLU 3 HB2 GLU 3 5.310 -3.713 -0.922
11 HB3 GLU 3 HB3 GLU 3 6.119 -4.877 0.118
12 HG2 GLU 3 HG2 GLU 3 7.508 -4.330 -1.777
13 HG3 GLU 3 HG3 GLU 3 7.007 -6.019 -1.853
14 H THR 4 H THR 4 6.376 -7.056 -0.124
15 HA THR 4 HA THR 4 5.022 -8.047 2.268
16 HB THR 4 HB THR 4 6.331 -10.318 1.407
17 HG1 THR 4 HG1 THR 4 6.338 -10.313 -0.702
18 HG21 THR 4 HG21 THR 4 4.010 -11.161 0.935
19 HG22 THR 4 HG22 THR 4 3.433 -9.513 1.181
20 HG23 THR 4 HG23 THR 4 4.210 -10.382 2.504
21 H CYS 5 H CYS 5 6.345 -8.179 3.980
22 HA CYS 5 HA CYS 5 9.249 -8.207 3.508
23 HB2 CYS 5 HB2 CYS 5 9.433 -6.656 5.512
24 HB3 CYS 5 HB3 CYS 5 8.805 -5.935 4.033
25 H VAL 6 H VAL 6 8.432 -10.557 3.938
26 HA VAL 6 HA VAL 6 7.662 -11.447 6.448
27 HB VAL 6 HB VAL 6 9.475 -12.832 4.466
28 HG11 VAL 6 HG11 VAL 6 8.414 -14.885 5.667
29 HG12 VAL 6 HG12 VAL 6 9.801 -14.067 6.390
30 HG13 VAL 6 HG13 VAL 6 8.174 -13.750 6.995
31 HG21 VAL 6 HG21 VAL 6 7.234 -14.074 4.055
32 HG22 VAL 6 HG22 VAL 6 6.505 -12.643 4.784
33 HG23 VAL 6 HG23 VAL 6 7.487 -12.488 3.327
34 H GLY 7 H GLY 7 10.799 -10.413 5.311
35 HA2 GLY 7 HA2 GLY 7 12.223 -11.468 7.589
36 HA3 GLY 7 HA3 GLY 7 12.879 -10.424 6.338
37 H GLY 8 H GLY 8 10.429 -8.625 6.928
38 HA2 GLY 8 HA2 GLY 8 9.810 -7.086 8.614
39 HA3 GLY 8 HA3 GLY 8 11.242 -7.543 9.524
40 H THR 9 H THR 9 11.758 -6.972 6.198
41 HA THR 9 HA THR 9 12.892 -4.326 6.833
42 HB THR 9 HB THR 9 14.732 -5.672 6.286
43 HG1 THR 9 HG1 THR 9 14.195 -4.757 3.682
44 HG21 THR 9 HG21 THR 9 13.481 -7.615 5.463
45 HG22 THR 9 HG22 THR 9 14.806 -7.199 4.376
46 HG23 THR 9 HG23 THR 9 13.150 -6.764 3.955
47 H CYS 10 H CYS 10 11.292 -2.958 6.206
48 HA CYS 10 HA CYS 10 10.777 -2.780 3.351
49 HB2 CYS 10 HB2 CYS 10 8.921 -4.069 4.952
50 HB3 CYS 10 HB3 CYS 10 8.293 -2.428 4.845
51 H ASN 11 H ASN 11 12.205 -1.216 5.373
52 HA ASN 11 HA ASN 11 10.645 1.124 5.929
53 HB2 ASN 11 HB2 ASN 11 13.507 0.332 6.298
54 HB3 ASN 11 HB3 ASN 11 13.071 2.034 6.411
55 HD21 ASN 11 HD21 ASN 11 11.198 2.499 7.878
56 HD22 ASN 11 HD22 ASN 11 11.134 1.625 9.367
57 H THR 12 H THR 12 9.879 1.810 3.909
58 HA THR 12 HA THR 12 11.931 2.904 2.098
59 HB THR 12 HB THR 12 9.535 2.913 0.686
60 HG1 THR 12 HG1 THR 12 8.391 1.432 1.702
61 HG21 THR 12 HG21 THR 12 11.194 2.265 -0.684
62 HG22 THR 12 HG22 THR 12 10.797 0.629 -0.159
63 HG23 THR 12 HG23 THR 12 12.105 1.514 0.626
64 HA PRO 13 HA PRO 13 10.479 6.982 2.831
65 HB2 PRO 13 HB2 PRO 13 10.868 8.126 0.400
66 HB3 PRO 13 HB3 PRO 13 12.197 7.708 1.488
67 HG2 PRO 13 HG2 PRO 13 11.149 6.211 -0.884
68 HG3 PRO 13 HG3 PRO 13 12.829 6.510 -0.402
69 HD2 PRO 13 HD2 PRO 13 11.574 4.157 0.071
70 HD3 PRO 13 HD3 PRO 13 12.816 4.812 1.158
71 H GLY 14 H GLY 14 8.237 6.292 3.135
72 HA2 GLY 14 HA2 GLY 14 6.178 7.527 2.429
73 HA3 GLY 14 HA3 GLY 14 6.540 6.953 0.808
74 H CYS 15 H CYS 15 7.408 4.527 2.847
75 HA CYS 15 HA CYS 15 4.751 3.380 3.162
76 HB2 CYS 15 HB2 CYS 15 6.482 2.688 0.981
77 HB3 CYS 15 HB3 CYS 15 6.316 1.298 2.050
78 H THR 16 H THR 16 4.683 1.598 4.598
79 HA THR 16 HA THR 16 7.144 1.216 6.175
80 HB THR 16 HB THR 16 5.464 0.759 8.106
81 HG1 THR 16 HG1 THR 16 3.470 1.588 7.861
82 HG21 THR 16 HG21 THR 16 5.915 3.566 7.082
83 HG22 THR 16 HG22 THR 16 7.040 2.631 8.069
84 HG23 THR 16 HG23 THR 16 5.485 3.127 8.735
85 H CYS 17 H CYS 17 6.869 -0.801 7.654
86 HA CYS 17 HA CYS 17 6.129 -3.009 5.892
87 HB2 CYS 17 HB2 CYS 17 8.390 -2.971 6.911
88 HB3 CYS 17 HB3 CYS 17 7.650 -3.058 8.506
89 H SER 18 H SER 18 4.803 -4.724 6.553
90 HA SER 18 HA SER 18 3.329 -4.431 9.055
91 HB2 SER 18 HB2 SER 18 2.135 -3.223 7.105
92 HB3 SER 18 HB3 SER 18 1.788 -4.843 6.501
93 HG SER 18 HG SER 18 1.045 -3.762 9.018
94 H TRP 19 H TRP 19 5.138 -6.322 8.803
95 HA TRP 19 HA TRP 19 4.884 -8.664 7.569
96 HB2 TRP 19 HB2 TRP 19 6.421 -8.097 9.519
97 HB3 TRP 19 HB3 TRP 19 5.111 -8.614 10.578
98 HD1 TRP 19 HD1 TRP 19 7.818 -9.965 8.291
99 HE1 TRP 19 HE1 TRP 19 7.922 -12.526 8.530
100 HE3 TRP 19 HE3 TRP 19 3.601 -10.691 11.088
101 HZ2 TRP 19 HZ2 TRP 19 6.416 -14.581 9.743
102 HZ3 TRP 19 HZ3 TRP 19 3.003 -12.986 11.745
103 HH2 TRP 19 HH2 TRP 19 4.382 -14.889 11.085
104 HA PRO 20 HA PRO 20 4.815 -10.821 7.537
105 HB2 PRO 20 HB2 PRO 20 3.360 -12.219 5.720
106 HB3 PRO 20 HB3 PRO 20 3.633 -12.785 7.372
107 HG2 PRO 20 HG2 PRO 20 1.244 -11.403 6.214
108 HG3 PRO 20 HG3 PRO 20 1.309 -12.785 7.322
109 HD2 PRO 20 HD2 PRO 20 0.804 -10.263 8.168
110 HD3 PRO 20 HD3 PRO 20 1.666 -11.451 9.167
111 H VAL 21 H VAL 21 1.976 -9.421 5.920
112 HA VAL 21 HA VAL 21 3.268 -8.899 3.457
113 HB VAL 21 HB VAL 21 1.370 -7.531 2.896
114 HG11 VAL 21 HG11 VAL 21 0.954 -9.892 2.814
115 HG12 VAL 21 HG12 VAL 21 0.598 -9.936 4.542
116 HG13 VAL 21 HG13 VAL 21 -0.489 -9.093 3.438
117 HG21 VAL 21 HG21 VAL 21 -0.396 -7.125 4.677
118 HG22 VAL 21 HG22 VAL 21 0.847 -7.539 5.858
119 HG23 VAL 21 HG23 VAL 21 1.073 -6.156 4.788
120 H CYS 22 H CYS 22 2.860 -6.314 2.797
121 HA CYS 22 HA CYS 22 4.306 -4.687 4.758
122 HB2 CYS 22 HB2 CYS 22 5.990 -5.631 3.220
123 HB3 CYS 22 HB3 CYS 22 5.114 -4.948 1.854
124 H GLY 23 H GLY 23 3.969 -2.453 4.581
125 HA2 GLY 23 HA2 GLY 23 2.946 -0.863 2.716
126 HA3 GLY 23 HA3 GLY 23 1.508 -1.761 3.178
127 H HIS 24 H HIS 24 0.507 -1.335 5.118
128 HA HIS 24 HA HIS 24 1.730 0.503 7.000
129 HB2 HIS 24 HB2 HIS 24 -0.871 1.212 5.628
130 HB3 HIS 24 HB3 HIS 24 -0.085 2.132 6.906
131 HD1 HIS 24 HD1 HIS 24 2.088 3.439 6.254
132 HD2 HIS 24 HD2 HIS 24 0.118 1.632 3.073
133 HE1 HIS 24 HE1 HIS 24 3.068 4.473 4.182
134 H PHE 25 H PHE 25 -0.378 1.152 8.560
135 HA PHE 25 HA PHE 25 -1.277 -1.478 9.503
136 HB2 PHE 25 HB2 PHE 25 0.025 -0.199 11.119
137 HB3 PHE 25 HB3 PHE 25 -1.073 1.167 10.956
138 HD1 PHE 25 HD1 PHE 25 -0.691 -2.241 12.265
139 HD2 PHE 25 HD2 PHE 25 -3.183 1.204 12.072
140 HE1 PHE 25 HE1 PHE 25 -2.074 -3.144 14.090
141 HE2 PHE 25 HE2 PHE 25 -4.569 0.308 13.896
142 HZ PHE 25 HZ PHE 25 -4.015 -1.868 14.908
143 H ARG 26 H ARG 26 -2.385 1.507 8.205
144 HA ARG 26 HA ARG 26 -5.150 0.989 9.005
145 HB2 ARG 26 HB2 ARG 26 -3.962 3.308 9.039
146 HB3 ARG 26 HB3 ARG 26 -4.279 3.305 7.310
147 HG2 ARG 26 HG2 ARG 26 -6.675 3.036 7.762
148 HG3 ARG 26 HG3 ARG 26 -6.340 3.087 9.493
149 HD2 ARG 26 HD2 ARG 26 -5.277 5.341 9.096
150 HD3 ARG 26 HD3 ARG 26 -5.947 5.276 7.466
151 HE ARG 26 HE ARG 26 -8.104 4.834 9.029
152 HH11 ARG 26 HH11 ARG 26 -5.634 7.287 9.015
153 HH12 ARG 26 HH12 ARG 26 -6.670 8.519 9.655
154 HH21 ARG 26 HH21 ARG 26 -9.479 6.448 9.871
155 HH22 ARG 26 HH22 ARG 26 -8.857 8.040 10.142
156 H TRP 27 H TRP 27 -3.599 2.029 5.964
157 HA TRP 27 HA TRP 27 -5.634 0.550 4.478
158 HB2 TRP 27 HB2 TRP 27 -3.507 2.372 3.348
159 HB3 TRP 27 HB3 TRP 27 -4.991 1.835 2.567
160 HD1 TRP 27 HD1 TRP 27 -7.103 2.528 4.784
161 HE1 TRP 27 HE1 TRP 27 -7.619 4.982 5.363
162 HE3 TRP 27 HE3 TRP 27 -2.815 4.693 3.035
163 HZ2 TRP 27 HZ2 TRP 27 -6.373 7.502 5.111
164 HZ3 TRP 27 HZ3 TRP 27 -2.556 7.131 3.242
165 HH2 TRP 27 HH2 TRP 27 -4.299 8.505 4.258
166 H GLY 28 H GLY 28 -2.150 1.108 3.933
167 HA2 GLY 28 HA2 GLY 28 -0.451 -0.410 3.535
168 HA3 GLY 28 HA3 GLY 28 -1.569 -1.707 3.930
169 H VAL 29 H VAL 29 -0.623 0.549 1.376
170 HA VAL 29 HA VAL 29 -1.179 -1.526 -0.597
171 HB VAL 29 HB VAL 29 -2.302 1.264 -0.879
172 HG11 VAL 29 HG11 VAL 29 -3.423 0.243 -2.884
173 HG12 VAL 29 HG12 VAL 29 -1.675 0.446 -3.023
174 HG13 VAL 29 HG13 VAL 29 -2.355 -1.146 -2.683
175 HG21 VAL 29 HG21 VAL 29 -3.609 -1.366 -0.230
176 HG22 VAL 29 HG22 VAL 29 -3.670 0.139 0.687
177 HG23 VAL 29 HG23 VAL 29 -4.505 0.016 -0.861
Start of MODEL 12
1 H1 CYS 1 H CYS 1 1.503 0.219 0.157
2 HA CYS 1 HA CYS 1 3.148 0.268 -2.093
3 HB2 CYS 1 HB2 CYS 1 3.373 -0.643 0.692
4 HB3 CYS 1 HB3 CYS 1 4.431 -1.494 -0.429
5 H GLY 2 H GLY 2 1.129 -2.269 -0.803
6 HA2 GLY 2 HA2 GLY 2 0.574 -4.343 -1.614
7 HA3 GLY 2 HA3 GLY 2 1.078 -3.738 -3.185
8 H GLU 3 H GLU 3 2.976 -4.274 -0.232
9 HA GLU 3 HA GLU 3 4.502 -6.333 -1.677
10 HB2 GLU 3 HB2 GLU 3 5.435 -3.767 -0.871
11 HB3 GLU 3 HB3 GLU 3 6.230 -4.969 0.135
12 HG2 GLU 3 HG2 GLU 3 7.518 -4.424 -1.874
13 HG3 GLU 3 HG3 GLU 3 7.051 -6.123 -1.814
14 H THR 4 H THR 4 6.199 -7.230 0.131
15 HA THR 4 HA THR 4 4.829 -7.645 2.670
16 HB THR 4 HB THR 4 3.881 -9.460 1.472
17 HG1 THR 4 HG1 THR 4 6.094 -10.772 2.615
18 HG21 THR 4 HG21 THR 4 4.903 -9.976 -0.464
19 HG22 THR 4 HG22 THR 4 5.839 -11.107 0.513
20 HG23 THR 4 HG23 THR 4 6.492 -9.511 0.142
21 H CYS 5 H CYS 5 6.200 -7.978 4.344
22 HA CYS 5 HA CYS 5 9.038 -8.448 3.711
23 HB2 CYS 5 HB2 CYS 5 9.336 -6.974 5.895
24 HB3 CYS 5 HB3 CYS 5 9.197 -6.236 4.303
25 H VAL 6 H VAL 6 8.586 -10.680 4.192
26 HA VAL 6 HA VAL 6 7.548 -11.596 6.634
27 HB VAL 6 HB VAL 6 9.583 -13.012 4.910
28 HG11 VAL 6 HG11 VAL 6 7.601 -13.965 6.964
29 HG12 VAL 6 HG12 VAL 6 8.400 -15.040 5.816
30 HG13 VAL 6 HG13 VAL 6 9.356 -14.134 6.989
31 HG21 VAL 6 HG21 VAL 6 6.597 -12.775 4.659
32 HG22 VAL 6 HG22 VAL 6 7.829 -12.428 3.446
33 HG23 VAL 6 HG23 VAL 6 7.508 -14.094 3.925
34 H GLY 7 H GLY 7 10.565 -10.176 5.873
35 HA2 GLY 7 HA2 GLY 7 11.768 -11.213 8.355
36 HA3 GLY 7 HA3 GLY 7 12.662 -10.511 7.015
37 H GLY 8 H GLY 8 10.000 -8.625 7.387
38 HA2 GLY 8 HA2 GLY 8 9.553 -6.640 8.476
39 HA3 GLY 8 HA3 GLY 8 10.770 -7.072 9.667
40 H THR 9 H THR 9 11.220 -6.746 6.179
41 HA THR 9 HA THR 9 12.992 -4.449 6.706
42 HB THR 9 HB THR 9 14.475 -6.174 6.121
43 HG1 THR 9 HG1 THR 9 15.321 -4.858 4.705
44 HG21 THR 9 HG21 THR 9 12.609 -6.918 3.865
45 HG22 THR 9 HG22 THR 9 12.796 -7.805 5.378
46 HG23 THR 9 HG23 THR 9 14.143 -7.700 4.244
47 H CYS 10 H CYS 10 11.238 -3.026 6.244
48 HA CYS 10 HA CYS 10 10.788 -2.703 3.362
49 HB2 CYS 10 HB2 CYS 10 8.766 -3.196 5.437
50 HB3 CYS 10 HB3 CYS 10 8.421 -1.805 4.415
51 H ASN 11 H ASN 11 12.622 -1.183 3.995
52 HA ASN 11 HA ASN 11 11.735 1.254 5.320
53 HB2 ASN 11 HB2 ASN 11 14.399 0.266 4.326
54 HB3 ASN 11 HB3 ASN 11 14.166 1.947 4.794
55 HD21 ASN 11 HD21 ASN 11 13.997 -1.371 5.927
56 HD22 ASN 11 HD22 ASN 11 14.233 -1.008 7.599
57 H THR 12 H THR 12 10.237 2.054 3.821
58 HA THR 12 HA THR 12 11.429 3.068 1.322
59 HB THR 12 HB THR 12 8.653 3.067 0.960
60 HG1 THR 12 HG1 THR 12 9.481 0.499 1.861
61 HG21 THR 12 HG21 THR 12 9.467 0.901 -0.450
62 HG22 THR 12 HG22 THR 12 11.014 1.691 -0.142
63 HG23 THR 12 HG23 THR 12 9.724 2.567 -0.966
64 HA PRO 13 HA PRO 13 10.390 7.133 2.629
65 HB2 PRO 13 HB2 PRO 13 9.989 8.337 0.229
66 HB3 PRO 13 HB3 PRO 13 11.592 7.881 0.819
67 HG2 PRO 13 HG2 PRO 13 9.809 6.455 -1.118
68 HG3 PRO 13 HG3 PRO 13 11.559 6.728 -1.201
69 HD2 PRO 13 HD2 PRO 13 10.488 4.374 -0.399
70 HD3 PRO 13 HD3 PRO 13 12.025 4.991 0.240
71 H GLY 14 H GLY 14 8.392 6.695 3.681
72 HA2 GLY 14 HA2 GLY 14 6.221 7.694 3.858
73 HA3 GLY 14 HA3 GLY 14 6.069 7.584 2.111
74 H CYS 15 H CYS 15 7.404 4.762 3.291
75 HA CYS 15 HA CYS 15 4.768 3.482 3.568
76 HB2 CYS 15 HB2 CYS 15 6.618 3.113 1.457
77 HB3 CYS 15 HB3 CYS 15 6.670 1.653 2.439
78 H THR 16 H THR 16 4.648 1.716 4.960
79 HA THR 16 HA THR 16 7.021 1.296 6.660
80 HB THR 16 HB THR 16 5.363 0.782 8.509
81 HG1 THR 16 HG1 THR 16 3.275 1.203 8.188
82 HG21 THR 16 HG21 THR 16 4.785 3.302 8.787
83 HG22 THR 16 HG22 THR 16 5.765 3.508 7.336
84 HG23 THR 16 HG23 THR 16 6.475 2.801 8.787
85 H CYS 17 H CYS 17 6.524 -0.792 8.099
86 HA CYS 17 HA CYS 17 5.967 -2.929 6.163
87 HB2 CYS 17 HB2 CYS 17 8.218 -2.810 7.310
88 HB3 CYS 17 HB3 CYS 17 7.388 -3.189 8.815
89 H SER 18 H SER 18 4.800 -4.813 6.855
90 HA SER 18 HA SER 18 3.238 -4.619 9.296
91 HB2 SER 18 HB2 SER 18 1.969 -4.610 6.550
92 HB3 SER 18 HB3 SER 18 1.089 -4.963 8.037
93 HG SER 18 HG SER 18 1.747 -2.580 6.995
94 H TRP 19 H TRP 19 5.098 -6.440 9.036
95 HA TRP 19 HA TRP 19 4.927 -8.747 7.698
96 HB2 TRP 19 HB2 TRP 19 6.503 -8.271 9.581
97 HB3 TRP 19 HB3 TRP 19 5.210 -8.672 10.709
98 HD1 TRP 19 HD1 TRP 19 7.879 -10.239 8.580
99 HE1 TRP 19 HE1 TRP 19 7.825 -12.796 8.867
100 HE3 TRP 19 HE3 TRP 19 3.462 -10.677 11.117
101 HZ2 TRP 19 HZ2 TRP 19 6.133 -14.742 10.016
102 HZ3 TRP 19 HZ3 TRP 19 2.696 -12.922 11.772
103 HH2 TRP 19 HH2 TRP 19 4.005 -14.911 11.232
104 HA PRO 20 HA PRO 20 4.931 -10.905 7.603
105 HB2 PRO 20 HB2 PRO 20 3.516 -12.295 5.749
106 HB3 PRO 20 HB3 PRO 20 3.815 -12.901 7.382
107 HG2 PRO 20 HG2 PRO 20 1.375 -11.565 6.275
108 HG3 PRO 20 HG3 PRO 20 1.491 -12.978 7.340
109 HD2 PRO 20 HD2 PRO 20 0.906 -10.500 8.263
110 HD3 PRO 20 HD3 PRO 20 1.811 -11.688 9.224
111 H VAL 21 H VAL 21 2.054 -9.482 6.093
112 HA VAL 21 HA VAL 21 3.286 -8.876 3.613
113 HB VAL 21 HB VAL 21 1.362 -7.545 3.118
114 HG11 VAL 21 HG11 VAL 21 1.132 -10.063 3.342
115 HG12 VAL 21 HG12 VAL 21 0.321 -9.750 4.877
116 HG13 VAL 21 HG13 VAL 21 -0.363 -9.129 3.375
117 HG21 VAL 21 HG21 VAL 21 -0.321 -7.003 4.860
118 HG22 VAL 21 HG22 VAL 21 0.799 -7.608 6.081
119 HG23 VAL 21 HG23 VAL 21 1.229 -6.200 5.110
120 H CYS 22 H CYS 22 2.772 -6.245 3.095
121 HA CYS 22 HA CYS 22 4.215 -4.656 5.073
122 HB2 CYS 22 HB2 CYS 22 5.359 -5.607 2.573
123 HB3 CYS 22 HB3 CYS 22 5.369 -3.850 2.670
124 H GLY 23 H GLY 23 4.275 -2.305 4.405
125 HA2 GLY 23 HA2 GLY 23 3.214 -0.720 2.754
126 HA3 GLY 23 HA3 GLY 23 1.747 -1.650 3.023
127 H HIS 24 H HIS 24 0.473 -1.198 4.751
128 HA HIS 24 HA HIS 24 1.483 0.608 6.817
129 HB2 HIS 24 HB2 HIS 24 -1.039 1.145 5.235
130 HB3 HIS 24 HB3 HIS 24 -0.473 2.080 6.616
131 HD1 HIS 24 HD1 HIS 24 1.642 3.581 6.234
132 HD2 HIS 24 HD2 HIS 24 0.157 1.751 2.812
133 HE1 HIS 24 HE1 HIS 24 2.733 4.772 4.307
134 H PHE 25 H PHE 25 -0.706 1.069 8.280
135 HA PHE 25 HA PHE 25 -1.524 -1.631 9.088
136 HB2 PHE 25 HB2 PHE 25 -0.355 -0.351 10.806
137 HB3 PHE 25 HB3 PHE 25 -1.515 0.963 10.644
138 HD1 PHE 25 HD1 PHE 25 -1.066 -2.515 11.771
139 HD2 PHE 25 HD2 PHE 25 -3.615 0.894 11.735
140 HE1 PHE 25 HE1 PHE 25 -2.478 -3.557 13.496
141 HE2 PHE 25 HE2 PHE 25 -5.030 -0.142 13.460
142 HZ PHE 25 HZ PHE 25 -4.462 -2.370 14.343
143 H ARG 26 H ARG 26 -2.705 1.345 7.839
144 HA ARG 26 HA ARG 26 -5.479 0.648 8.466
145 HB2 ARG 26 HB2 ARG 26 -4.464 3.009 8.760
146 HB3 ARG 26 HB3 ARG 26 -4.601 3.126 7.010
147 HG2 ARG 26 HG2 ARG 26 -6.975 2.868 7.111
148 HG3 ARG 26 HG3 ARG 26 -6.909 2.507 8.838
149 HD2 ARG 26 HD2 ARG 26 -6.049 5.116 7.595
150 HD3 ARG 26 HD3 ARG 26 -7.627 4.829 8.328
151 HE ARG 26 HE ARG 26 -5.664 4.156 10.197
152 HH11 ARG 26 HH11 ARG 26 -6.888 6.968 8.550
153 HH12 ARG 26 HH12 ARG 26 -6.476 8.058 9.831
154 HH21 ARG 26 HH21 ARG 26 -5.117 5.581 11.891
155 HH22 ARG 26 HH22 ARG 26 -5.469 7.269 11.731
156 H TRP 27 H TRP 27 -3.823 1.983 5.602
157 HA TRP 27 HA TRP 27 -5.707 0.558 3.891
158 HB2 TRP 27 HB2 TRP 27 -3.524 2.458 3.027
159 HB3 TRP 27 HB3 TRP 27 -4.945 1.963 2.112
160 HD1 TRP 27 HD1 TRP 27 -7.210 2.505 4.221
161 HE1 TRP 27 HE1 TRP 27 -7.789 4.916 4.910
162 HE3 TRP 27 HE3 TRP 27 -2.837 4.799 2.897
163 HZ2 TRP 27 HZ2 TRP 27 -6.555 7.455 4.893
164 HZ3 TRP 27 HZ3 TRP 27 -2.618 7.222 3.266
165 HH2 TRP 27 HH2 TRP 27 -4.440 8.521 4.243
166 H GLY 28 H GLY 28 -2.198 1.165 3.632
167 HA2 GLY 28 HA2 GLY 28 -0.462 -0.316 3.261
168 HA3 GLY 28 HA3 GLY 28 -1.593 -1.640 3.495
169 H VAL 29 H VAL 29 -0.523 0.791 1.156
170 HA VAL 29 HA VAL 29 -1.073 -1.147 -0.981
171 HB VAL 29 HB VAL 29 -1.755 0.816 -2.440
172 HG11 VAL 29 HG11 VAL 29 -4.096 0.886 -1.360
173 HG12 VAL 29 HG12 VAL 29 -3.466 -0.668 -1.909
174 HG13 VAL 29 HG13 VAL 29 -3.424 -0.253 -0.195
175 HG21 VAL 29 HG21 VAL 29 -1.061 2.277 -0.175
176 HG22 VAL 29 HG22 VAL 29 -1.869 2.883 -1.621
177 HG23 VAL 29 HG23 VAL 29 -2.822 2.348 -0.236
Start of MODEL 13
1 H1 CYS 1 H CYS 1 1.142 -0.004 0.773
2 HA CYS 1 HA CYS 1 2.175 0.589 -1.712
3 HB2 CYS 1 HB2 CYS 1 3.212 -0.103 0.782
4 HB3 CYS 1 HB3 CYS 1 3.856 -1.324 -0.311
5 H GLY 2 H GLY 2 1.270 -2.560 -0.396
6 HA2 GLY 2 HA2 GLY 2 0.642 -4.463 -1.568
7 HA3 GLY 2 HA3 GLY 2 1.028 -3.631 -3.067
8 H GLU 3 H GLU 3 2.850 -4.669 -0.178
9 HA GLU 3 HA GLU 3 4.605 -6.239 -1.912
10 HB2 GLU 3 HB2 GLU 3 5.693 -4.288 0.121
11 HB3 GLU 3 HB3 GLU 3 6.620 -5.293 -0.985
12 HG2 GLU 3 HG2 GLU 3 5.532 -4.043 -2.870
13 HG3 GLU 3 HG3 GLU 3 4.883 -2.937 -1.661
14 H THR 4 H THR 4 6.477 -7.033 -0.108
15 HA THR 4 HA THR 4 5.062 -8.040 2.243
16 HB THR 4 HB THR 4 6.456 -10.283 1.461
17 HG1 THR 4 HG1 THR 4 6.601 -9.166 -0.667
18 HG21 THR 4 HG21 THR 4 4.173 -11.174 0.868
19 HG22 THR 4 HG22 THR 4 3.556 -9.538 1.102
20 HG23 THR 4 HG23 THR 4 4.292 -10.405 2.450
21 H CYS 5 H CYS 5 6.327 -8.160 4.005
22 HA CYS 5 HA CYS 5 9.244 -8.087 3.640
23 HB2 CYS 5 HB2 CYS 5 9.353 -6.517 5.596
24 HB3 CYS 5 HB3 CYS 5 8.632 -5.824 4.147
25 H VAL 6 H VAL 6 8.434 -10.465 4.035
26 HA VAL 6 HA VAL 6 7.628 -11.378 6.521
27 HB VAL 6 HB VAL 6 9.526 -12.728 4.596
28 HG11 VAL 6 HG11 VAL 6 9.757 -13.884 6.624
29 HG12 VAL 6 HG12 VAL 6 8.041 -13.737 7.004
30 HG13 VAL 6 HG13 VAL 6 8.569 -14.814 5.712
31 HG21 VAL 6 HG21 VAL 6 7.360 -13.984 4.031
32 HG22 VAL 6 HG22 VAL 6 6.534 -12.641 4.822
33 HG23 VAL 6 HG23 VAL 6 7.548 -12.344 3.410
34 H GLY 7 H GLY 7 10.779 -10.297 5.460
35 HA2 GLY 7 HA2 GLY 7 12.208 -11.352 7.712
36 HA3 GLY 7 HA3 GLY 7 12.813 -10.184 6.547
37 H GLY 8 H GLY 8 10.355 -8.491 7.132
38 HA2 GLY 8 HA2 GLY 8 9.583 -7.125 8.918
39 HA3 GLY 8 HA3 GLY 8 11.002 -7.587 9.847
40 H THR 9 H THR 9 11.465 -6.701 6.550
41 HA THR 9 HA THR 9 12.406 -4.037 7.388
42 HB THR 9 HB THR 9 14.397 -5.284 7.058
43 HG1 THR 9 HG1 THR 9 14.942 -3.524 5.994
44 HG21 THR 9 HG21 THR 9 14.374 -6.195 4.415
45 HG22 THR 9 HG22 THR 9 12.815 -6.677 5.085
46 HG23 THR 9 HG23 THR 9 14.309 -7.176 5.879
47 H CYS 10 H CYS 10 10.901 -2.714 6.548
48 HA CYS 10 HA CYS 10 10.638 -2.628 3.656
49 HB2 CYS 10 HB2 CYS 10 8.702 -3.971 5.077
50 HB3 CYS 10 HB3 CYS 10 8.024 -2.350 4.956
51 H ASN 11 H ASN 11 11.889 -0.938 5.613
52 HA ASN 11 HA ASN 11 10.195 1.346 6.042
53 HB2 ASN 11 HB2 ASN 11 12.335 2.417 6.827
54 HB3 ASN 11 HB3 ASN 11 11.901 0.935 7.674
55 HD21 ASN 11 HD21 ASN 11 14.326 2.572 6.095
56 HD22 ASN 11 HD22 ASN 11 15.421 1.259 5.848
57 H THR 12 H THR 12 9.520 1.879 3.928
58 HA THR 12 HA THR 12 11.618 2.971 2.175
59 HB THR 12 HB THR 12 9.373 2.976 0.623
60 HG1 THR 12 HG1 THR 12 9.266 0.526 2.058
61 HG21 THR 12 HG21 THR 12 10.611 0.397 0.416
62 HG22 THR 12 HG22 THR 12 11.840 1.619 0.741
63 HG23 THR 12 HG23 THR 12 10.768 1.793 -0.649
64 HA PRO 13 HA PRO 13 10.171 7.085 2.671
65 HB2 PRO 13 HB2 PRO 13 10.454 8.092 0.166
66 HB3 PRO 13 HB3 PRO 13 11.828 7.734 1.218
67 HG2 PRO 13 HG2 PRO 13 10.684 6.109 -1.020
68 HG3 PRO 13 HG3 PRO 13 12.382 6.433 -0.628
69 HD2 PRO 13 HD2 PRO 13 11.153 4.111 0.027
70 HD3 PRO 13 HD3 PRO 13 12.439 4.825 1.022
71 H GLY 14 H GLY 14 7.948 6.440 3.115
72 HA2 GLY 14 HA2 GLY 14 5.835 7.559 2.505
73 HA3 GLY 14 HA3 GLY 14 6.155 7.064 0.849
74 H CYS 15 H CYS 15 7.115 4.617 2.879
75 HA CYS 15 HA CYS 15 4.483 3.368 3.060
76 HB2 CYS 15 HB2 CYS 15 6.723 2.446 1.313
77 HB3 CYS 15 HB3 CYS 15 5.734 1.231 2.117
78 H THR 16 H THR 16 4.456 1.471 4.426
79 HA THR 16 HA THR 16 6.786 1.258 6.213
80 HB THR 16 HB THR 16 5.066 0.833 8.071
81 HG1 THR 16 HG1 THR 16 3.286 0.807 6.454
82 HG21 THR 16 HG21 THR 16 6.489 2.852 7.903
83 HG22 THR 16 HG22 THR 16 4.906 3.192 8.603
84 HG23 THR 16 HG23 THR 16 5.240 3.621 6.925
85 H CYS 17 H CYS 17 6.584 -0.745 7.649
86 HA CYS 17 HA CYS 17 5.960 -2.998 5.909
87 HB2 CYS 17 HB2 CYS 17 8.167 -2.870 7.042
88 HB3 CYS 17 HB3 CYS 17 7.348 -2.968 8.597
89 H SER 18 H SER 18 4.646 -4.735 6.522
90 HA SER 18 HA SER 18 3.054 -4.467 8.952
91 HB2 SER 18 HB2 SER 18 1.733 -4.792 6.250
92 HB3 SER 18 HB3 SER 18 0.936 -4.601 7.811
93 HG SER 18 HG SER 18 2.461 -2.684 6.388
94 H TRP 19 H TRP 19 4.922 -6.316 8.771
95 HA TRP 19 HA TRP 19 4.768 -8.667 7.537
96 HB2 TRP 19 HB2 TRP 19 6.219 -8.059 9.540
97 HB3 TRP 19 HB3 TRP 19 4.884 -8.604 10.552
98 HD1 TRP 19 HD1 TRP 19 7.702 -9.896 8.367
99 HE1 TRP 19 HE1 TRP 19 7.858 -12.453 8.618
100 HE3 TRP 19 HE3 TRP 19 3.408 -10.715 11.016
101 HZ2 TRP 19 HZ2 TRP 19 6.359 -14.541 9.784
102 HZ3 TRP 19 HZ3 TRP 19 2.841 -13.021 11.660
103 HH2 TRP 19 HH2 TRP 19 4.287 -14.893 11.055
104 HA PRO 20 HA PRO 20 4.749 -10.824 7.508
105 HB2 PRO 20 HB2 PRO 20 3.394 -12.259 5.644
106 HB3 PRO 20 HB3 PRO 20 3.620 -12.815 7.306
107 HG2 PRO 20 HG2 PRO 20 1.242 -11.491 6.059
108 HG3 PRO 20 HG3 PRO 20 1.299 -12.870 7.173
109 HD2 PRO 20 HD2 PRO 20 0.706 -10.358 7.993
110 HD3 PRO 20 HD3 PRO 20 1.558 -11.524 9.026
111 H VAL 21 H VAL 21 1.940 -9.482 5.795
112 HA VAL 21 HA VAL 21 3.308 -8.938 3.375
113 HB VAL 21 HB VAL 21 1.401 -7.623 2.739
114 HG11 VAL 21 HG11 VAL 21 1.231 -10.160 2.993
115 HG12 VAL 21 HG12 VAL 21 0.263 -9.828 4.430
116 HG13 VAL 21 HG13 VAL 21 -0.276 -9.256 2.850
117 HG21 VAL 21 HG21 VAL 21 -0.441 -7.282 4.487
118 HG22 VAL 21 HG22 VAL 21 0.818 -7.585 5.684
119 HG23 VAL 21 HG23 VAL 21 0.970 -6.228 4.568
120 H CYS 22 H CYS 22 2.861 -6.363 2.697
121 HA CYS 22 HA CYS 22 4.161 -4.684 4.710
122 HB2 CYS 22 HB2 CYS 22 5.995 -5.568 3.364
123 HB3 CYS 22 HB3 CYS 22 5.185 -5.055 1.887
124 H GLY 23 H GLY 23 3.710 -2.496 4.539
125 HA2 GLY 23 HA2 GLY 23 2.808 -0.953 2.544
126 HA3 GLY 23 HA3 GLY 23 1.363 -1.869 2.946
127 H HIS 24 H HIS 24 0.243 -1.415 4.811
128 HA HIS 24 HA HIS 24 1.324 0.525 6.689
129 HB2 HIS 24 HB2 HIS 24 -1.296 1.055 5.278
130 HB3 HIS 24 HB3 HIS 24 -0.506 2.085 6.468
131 HD1 HIS 24 HD1 HIS 24 1.315 3.651 5.640
132 HD2 HIS 24 HD2 HIS 24 -0.091 1.074 2.700
133 HE1 HIS 24 HE1 HIS 24 2.285 4.501 3.481
134 H PHE 25 H PHE 25 -0.912 1.119 8.123
135 HA PHE 25 HA PHE 25 -1.699 -1.526 9.133
136 HB2 PHE 25 HB2 PHE 25 -0.477 -0.087 10.719
137 HB3 PHE 25 HB3 PHE 25 -1.717 1.151 10.544
138 HD1 PHE 25 HD1 PHE 25 -0.999 -2.215 11.841
139 HD2 PHE 25 HD2 PHE 25 -3.791 0.994 11.693
140 HE1 PHE 25 HE1 PHE 25 -2.281 -3.250 13.668
141 HE2 PHE 25 HE2 PHE 25 -5.076 -0.035 13.521
142 HZ PHE 25 HZ PHE 25 -4.322 -2.159 14.512
143 H ARG 26 H ARG 26 -2.905 1.481 7.885
144 HA ARG 26 HA ARG 26 -5.666 0.752 8.514
145 HB2 ARG 26 HB2 ARG 26 -4.762 3.240 7.076
146 HB3 ARG 26 HB3 ARG 26 -6.267 2.971 7.944
147 HG2 ARG 26 HG2 ARG 26 -5.108 2.972 10.054
148 HG3 ARG 26 HG3 ARG 26 -3.550 3.086 9.233
149 HD2 ARG 26 HD2 ARG 26 -3.711 5.299 9.229
150 HD3 ARG 26 HD3 ARG 26 -5.194 5.191 8.282
151 HE ARG 26 HE ARG 26 -5.913 4.703 10.903
152 HH11 ARG 26 HH11 ARG 26 -4.467 7.303 9.094
153 HH12 ARG 26 HH12 ARG 26 -5.099 8.545 10.123
154 HH21 ARG 26 HH21 ARG 26 -6.751 6.330 12.265
155 HH22 ARG 26 HH22 ARG 26 -6.398 7.990 11.927
156 H TRP 27 H TRP 27 -3.900 1.940 5.647
157 HA TRP 27 HA TRP 27 -5.902 0.962 3.852
158 HB2 TRP 27 HB2 TRP 27 -3.114 1.721 3.022
159 HB3 TRP 27 HB3 TRP 27 -4.621 1.906 2.129
160 HD1 TRP 27 HD1 TRP 27 -6.298 3.444 4.367
161 HE1 TRP 27 HE1 TRP 27 -5.712 5.889 4.918
162 HE3 TRP 27 HE3 TRP 27 -1.498 3.543 2.611
163 HZ2 TRP 27 HZ2 TRP 27 -3.507 7.630 4.644
164 HZ3 TRP 27 HZ3 TRP 27 -0.219 5.637 2.793
165 HH2 TRP 27 HH2 TRP 27 -1.204 7.637 3.788
166 H GLY 28 H GLY 28 -2.423 0.168 3.964
167 HA2 GLY 28 HA2 GLY 28 -1.474 -1.980 4.071
168 HA3 GLY 28 HA3 GLY 28 -3.067 -2.673 3.810
169 H VAL 29 H VAL 29 -1.493 -0.184 1.861
170 HA VAL 29 HA VAL 29 -0.936 -2.099 -0.260
171 HB VAL 29 HB VAL 29 -2.112 -0.604 -1.937
172 HG11 VAL 29 HG11 VAL 29 -2.918 -2.844 -1.020
173 HG12 VAL 29 HG12 VAL 29 -4.027 -1.902 -0.022
174 HG13 VAL 29 HG13 VAL 29 -4.122 -1.804 -1.781
175 HG21 VAL 29 HG21 VAL 29 -2.540 0.974 0.327
176 HG22 VAL 29 HG22 VAL 29 -3.213 1.216 -1.285
177 HG23 VAL 29 HG23 VAL 29 -4.119 0.302 -0.079
Start of MODEL 14
1 H1 CYS 1 H CYS 1 1.604 -0.817 0.488
2 HA CYS 1 HA CYS 1 2.407 0.568 -1.841
3 HB2 CYS 1 HB2 CYS 1 3.641 -0.448 0.543
4 HB3 CYS 1 HB3 CYS 1 4.612 -0.906 -0.852
5 H GLY 2 H GLY 2 2.025 -2.820 -1.086
6 HA2 GLY 2 HA2 GLY 2 1.638 -4.424 -2.814
7 HA3 GLY 2 HA3 GLY 2 2.614 -3.443 -3.898
8 H GLU 3 H GLU 3 3.465 -4.406 -0.612
9 HA GLU 3 HA GLU 3 5.360 -6.377 -1.622
10 HB2 GLU 3 HB2 GLU 3 7.057 -5.186 0.042
11 HB3 GLU 3 HB3 GLU 3 6.939 -4.728 -1.652
12 HG2 GLU 3 HG2 GLU 3 5.696 -2.799 -1.157
13 HG3 GLU 3 HG3 GLU 3 5.359 -3.342 0.486
14 H THR 4 H THR 4 6.573 -7.388 0.309
15 HA THR 4 HA THR 4 4.844 -7.497 2.682
16 HB THR 4 HB THR 4 4.110 -9.435 1.617
17 HG1 THR 4 HG1 THR 4 4.932 -9.904 3.725
18 HG21 THR 4 HG21 THR 4 5.318 -9.834 -0.271
19 HG22 THR 4 HG22 THR 4 6.051 -11.064 0.759
20 HG23 THR 4 HG23 THR 4 6.862 -9.517 0.519
21 H CYS 5 H CYS 5 5.964 -7.235 4.494
22 HA CYS 5 HA CYS 5 8.869 -7.398 4.412
23 HB2 CYS 5 HB2 CYS 5 6.962 -6.395 6.535
24 HB3 CYS 5 HB3 CYS 5 8.715 -6.384 6.696
25 H VAL 6 H VAL 6 7.985 -9.886 4.130
26 HA VAL 6 HA VAL 6 7.267 -11.461 6.238
27 HB VAL 6 HB VAL 6 9.374 -12.149 4.184
28 HG11 VAL 6 HG11 VAL 6 9.596 -13.910 5.601
29 HG12 VAL 6 HG12 VAL 6 7.977 -13.716 6.275
30 HG13 VAL 6 HG13 VAL 6 8.192 -14.482 4.700
31 HG21 VAL 6 HG21 VAL 6 7.213 -13.362 3.256
32 HG22 VAL 6 HG22 VAL 6 6.403 -12.052 4.115
33 HG23 VAL 6 HG23 VAL 6 7.577 -11.685 2.851
34 H GLY 7 H GLY 7 10.538 -10.302 5.487
35 HA2 GLY 7 HA2 GLY 7 11.438 -11.353 8.090
36 HA3 GLY 7 HA3 GLY 7 12.491 -10.990 6.731
37 H GLY 8 H GLY 8 10.006 -8.711 7.369
38 HA2 GLY 8 HA2 GLY 8 10.041 -6.571 8.198
39 HA3 GLY 8 HA3 GLY 8 11.276 -7.122 9.321
40 H THR 9 H THR 9 11.143 -6.682 5.785
41 HA THR 9 HA THR 9 13.221 -4.654 5.944
42 HB THR 9 HB THR 9 14.644 -6.550 5.809
43 HG1 THR 9 HG1 THR 9 15.702 -6.031 3.965
44 HG21 THR 9 HG21 THR 9 13.672 -8.468 5.159
45 HG22 THR 9 HG22 THR 9 14.100 -7.966 3.524
46 HG23 THR 9 HG23 THR 9 12.488 -7.632 4.155
47 H CYS 10 H CYS 10 11.198 -3.557 5.205
48 HA CYS 10 HA CYS 10 11.224 -3.396 2.305
49 HB2 CYS 10 HB2 CYS 10 8.813 -3.614 2.068
50 HB3 CYS 10 HB3 CYS 10 9.475 -5.073 2.797
51 H ASN 11 H ASN 11 12.113 -1.658 4.398
52 HA ASN 11 HA ASN 11 10.197 0.418 4.817
53 HB2 ASN 11 HB2 ASN 11 13.200 0.357 5.169
54 HB3 ASN 11 HB3 ASN 11 12.178 1.708 5.651
55 HD21 ASN 11 HD21 ASN 11 13.410 -1.339 6.492
56 HD22 ASN 11 HD22 ASN 11 12.568 -1.531 7.989
57 H THR 12 H THR 12 9.608 1.965 3.457
58 HA THR 12 HA THR 12 11.479 2.783 1.337
59 HB THR 12 HB THR 12 9.057 3.192 0.145
60 HG1 THR 12 HG1 THR 12 8.261 1.806 2.026
61 HG21 THR 12 HG21 THR 12 9.908 0.557 -0.536
62 HG22 THR 12 HG22 THR 12 11.335 1.541 -0.212
63 HG23 THR 12 HG23 THR 12 10.162 2.060 -1.422
64 HA PRO 13 HA PRO 13 10.602 6.941 2.433
65 HB2 PRO 13 HB2 PRO 13 10.632 8.187 0.022
66 HB3 PRO 13 HB3 PRO 13 12.094 7.579 0.807
67 HG2 PRO 13 HG2 PRO 13 10.456 6.336 -1.368
68 HG3 PRO 13 HG3 PRO 13 12.219 6.443 -1.218
69 HD2 PRO 13 HD2 PRO 13 10.838 4.197 -0.602
70 HD3 PRO 13 HD3 PRO 13 12.329 4.663 0.242
71 H GLY 14 H GLY 14 8.390 6.388 3.128
72 HA2 GLY 14 HA2 GLY 14 6.371 7.855 2.925
73 HA3 GLY 14 HA3 GLY 14 6.363 7.398 1.228
74 H CYS 15 H CYS 15 7.347 4.747 2.923
75 HA CYS 15 HA CYS 15 4.616 3.788 3.418
76 HB2 CYS 15 HB2 CYS 15 6.371 2.926 1.306
77 HB3 CYS 15 HB3 CYS 15 6.083 1.592 2.419
78 H THR 16 H THR 16 4.517 1.889 4.798
79 HA THR 16 HA THR 16 6.887 1.621 6.532
80 HB THR 16 HB THR 16 4.266 1.072 7.769
81 HG1 THR 16 HG1 THR 16 4.211 3.522 8.130
82 HG21 THR 16 HG21 THR 16 5.659 2.849 9.337
83 HG22 THR 16 HG22 THR 16 6.945 1.973 8.507
84 HG23 THR 16 HG23 THR 16 5.746 1.092 9.454
85 H CYS 17 H CYS 17 6.480 -0.415 8.043
86 HA CYS 17 HA CYS 17 6.006 -2.648 6.204
87 HB2 CYS 17 HB2 CYS 17 7.835 -2.157 8.443
88 HB3 CYS 17 HB3 CYS 17 7.077 -3.746 8.488
89 H SER 18 H SER 18 4.772 -4.463 6.836
90 HA SER 18 HA SER 18 3.162 -4.262 9.251
91 HB2 SER 18 HB2 SER 18 1.862 -4.474 6.525
92 HB3 SER 18 HB3 SER 18 1.037 -4.446 8.084
93 HG SER 18 HG SER 18 2.103 -2.377 6.607
94 H TRP 19 H TRP 19 5.007 -6.084 9.103
95 HA TRP 19 HA TRP 19 4.885 -8.405 7.768
96 HB2 TRP 19 HB2 TRP 19 6.418 -7.933 9.670
97 HB3 TRP 19 HB3 TRP 19 5.094 -8.265 10.783
98 HD1 TRP 19 HD1 TRP 19 7.811 -9.956 8.853
99 HE1 TRP 19 HE1 TRP 19 7.671 -12.504 9.191
100 HE3 TRP 19 HE3 TRP 19 3.227 -10.227 11.101
101 HZ2 TRP 19 HZ2 TRP 19 5.858 -14.380 10.267
102 HZ3 TRP 19 HZ3 TRP 19 2.363 -12.436 11.754
103 HH2 TRP 19 HH2 TRP 19 3.652 -14.468 11.344
104 HA PRO 20 HA PRO 20 4.897 -10.569 7.710
105 HB2 PRO 20 HB2 PRO 20 3.544 -11.990 5.834
106 HB3 PRO 20 HB3 PRO 20 3.791 -12.570 7.485
107 HG2 PRO 20 HG2 PRO 20 1.387 -11.256 6.279
108 HG3 PRO 20 HG3 PRO 20 1.470 -12.651 7.370
109 HD2 PRO 20 HD2 PRO 20 0.853 -10.161 8.235
110 HD3 PRO 20 HD3 PRO 20 1.728 -11.331 9.242
111 H VAL 21 H VAL 21 2.058 -9.233 6.042
112 HA VAL 21 HA VAL 21 3.372 -8.646 3.611
113 HB VAL 21 HB VAL 21 1.463 -7.324 3.032
114 HG11 VAL 21 HG11 VAL 21 1.163 -9.775 3.134
115 HG12 VAL 21 HG12 VAL 21 0.521 -9.603 4.769
116 HG13 VAL 21 HG13 VAL 21 -0.337 -8.889 3.403
117 HG21 VAL 21 HG21 VAL 21 0.862 -7.322 5.983
118 HG22 VAL 21 HG22 VAL 21 1.211 -5.935 4.952
119 HG23 VAL 21 HG23 VAL 21 -0.298 -6.825 4.751
120 H CYS 22 H CYS 22 2.920 -6.049 2.995
121 HA CYS 22 HA CYS 22 4.331 -4.435 4.990
122 HB2 CYS 22 HB2 CYS 22 5.981 -5.415 3.351
123 HB3 CYS 22 HB3 CYS 22 5.168 -4.498 2.088
124 H GLY 23 H GLY 23 4.098 -2.152 4.701
125 HA2 GLY 23 HA2 GLY 23 3.071 -0.531 2.949
126 HA3 GLY 23 HA3 GLY 23 1.628 -1.486 3.255
127 H HIS 24 H HIS 24 0.423 -1.102 5.056
128 HA HIS 24 HA HIS 24 1.465 0.608 7.162
129 HB2 HIS 24 HB2 HIS 24 -1.018 1.396 5.627
130 HB3 HIS 24 HB3 HIS 24 -0.301 2.260 6.984
131 HD1 HIS 24 HD1 HIS 24 1.617 3.842 6.484
132 HD2 HIS 24 HD2 HIS 24 0.432 1.617 3.181
133 HE1 HIS 24 HE1 HIS 24 2.807 4.867 4.521
134 H PHE 25 H PHE 25 -0.819 1.180 8.518
135 HA PHE 25 HA PHE 25 -1.752 -1.499 9.267
136 HB2 PHE 25 HB2 PHE 25 -0.656 -0.150 11.026
137 HB3 PHE 25 HB3 PHE 25 -1.890 1.090 10.828
138 HD1 PHE 25 HD1 PHE 25 -1.155 -2.248 12.115
139 HD2 PHE 25 HD2 PHE 25 -4.137 0.754 11.650
140 HE1 PHE 25 HE1 PHE 25 -2.567 -3.400 13.768
141 HE2 PHE 25 HE2 PHE 25 -5.553 -0.393 13.303
142 HZ PHE 25 HZ PHE 25 -4.769 -2.472 14.365
143 H ARG 26 H ARG 26 -2.791 1.476 7.906
144 HA ARG 26 HA ARG 26 -5.610 0.922 8.413
145 HB2 ARG 26 HB2 ARG 26 -4.027 3.268 7.666
146 HB3 ARG 26 HB3 ARG 26 -5.520 3.116 6.749
147 HG2 ARG 26 HG2 ARG 26 -6.491 2.677 9.194
148 HG3 ARG 26 HG3 ARG 26 -5.101 3.679 9.618
149 HD2 ARG 26 HD2 ARG 26 -5.878 5.488 8.338
150 HD3 ARG 26 HD3 ARG 26 -7.032 4.481 7.464
151 HE ARG 26 HE ARG 26 -8.536 4.866 9.130
152 HH11 ARG 26 HH11 ARG 26 -5.339 5.481 10.362
153 HH12 ARG 26 HH12 ARG 26 -5.899 6.066 11.893
154 HH21 ARG 26 HH21 ARG 26 -9.287 5.635 11.142
155 HH22 ARG 26 HH22 ARG 26 -8.145 6.153 12.336
156 H TRP 27 H TRP 27 -3.977 2.063 5.469
157 HA TRP 27 HA TRP 27 -5.836 0.758 3.764
158 HB2 TRP 27 HB2 TRP 27 -3.107 1.796 2.987
159 HB3 TRP 27 HB3 TRP 27 -4.513 1.588 1.946
160 HD1 TRP 27 HD1 TRP 27 -6.755 3.112 3.312
161 HE1 TRP 27 HE1 TRP 27 -6.636 5.645 3.754
162 HE3 TRP 27 HE3 TRP 27 -1.683 3.730 3.135
163 HZ2 TRP 27 HZ2 TRP 27 -4.654 7.641 3.994
164 HZ3 TRP 27 HZ3 TRP 27 -0.757 5.983 3.480
165 HH2 TRP 27 HH2 TRP 27 -2.213 7.897 3.900
166 H GLY 28 H GLY 28 -2.303 0.258 3.905
167 HA2 GLY 28 HA2 GLY 28 -1.207 -1.814 4.181
168 HA3 GLY 28 HA3 GLY 28 -2.734 -2.634 3.894
169 H VAL 29 H VAL 29 -1.271 -0.118 1.894
170 HA VAL 29 HA VAL 29 -0.708 -2.123 -0.177
171 HB VAL 29 HB VAL 29 -1.634 -0.634 -1.909
172 HG11 VAL 29 HG11 VAL 29 -3.842 -1.326 -1.668
173 HG12 VAL 29 HG12 VAL 29 -2.949 -2.474 -0.669
174 HG13 VAL 29 HG13 VAL 29 -3.814 -1.134 0.085
175 HG21 VAL 29 HG21 VAL 29 -1.924 1.147 0.377
176 HG22 VAL 29 HG22 VAL 29 -1.879 1.516 -1.347
177 HG23 VAL 29 HG23 VAL 29 -3.393 1.021 -0.591
Start of MODEL 15
1 H1 CYS 1 H CYS 1 0.913 0.327 0.558
2 HA CYS 1 HA CYS 1 2.357 0.485 -1.752
3 HB2 CYS 1 HB2 CYS 1 2.945 0.037 0.919
4 HB3 CYS 1 HB3 CYS 1 3.583 -1.394 0.116
5 H GLY 2 H GLY 2 0.919 -2.400 -0.328
6 HA2 GLY 2 HA2 GLY 2 0.483 -4.466 -1.232
7 HA3 GLY 2 HA3 GLY 2 0.763 -3.743 -2.810
8 H GLU 3 H GLU 3 2.731 -4.581 0.048
9 HA GLU 3 HA GLU 3 4.495 -6.122 -1.717
10 HB2 GLU 3 HB2 GLU 3 5.431 -4.079 0.306
11 HB3 GLU 3 HB3 GLU 3 6.478 -5.180 -0.579
12 HG2 GLU 3 HG2 GLU 3 4.706 -3.564 -2.261
13 HG3 GLU 3 HG3 GLU 3 5.893 -2.646 -1.338
14 H THR 4 H THR 4 6.349 -7.012 -0.004
15 HA THR 4 HA THR 4 4.993 -8.053 2.366
16 HB THR 4 HB THR 4 6.329 -10.295 1.445
17 HG1 THR 4 HG1 THR 4 4.856 -9.150 -0.713
18 HG21 THR 4 HG21 THR 4 4.218 -10.376 2.589
19 HG22 THR 4 HG22 THR 4 4.028 -11.177 1.029
20 HG23 THR 4 HG23 THR 4 3.413 -9.541 1.261
21 H CYS 5 H CYS 5 6.304 -8.064 4.075
22 HA CYS 5 HA CYS 5 9.213 -8.080 3.607
23 HB2 CYS 5 HB2 CYS 5 9.434 -6.573 5.572
24 HB3 CYS 5 HB3 CYS 5 8.561 -5.834 4.233
25 H VAL 6 H VAL 6 8.151 -10.464 3.963
26 HA VAL 6 HA VAL 6 7.574 -11.411 6.494
27 HB VAL 6 HB VAL 6 8.329 -13.606 5.740
28 HG11 VAL 6 HG11 VAL 6 6.222 -13.259 4.914
29 HG12 VAL 6 HG12 VAL 6 6.712 -11.873 3.938
30 HG13 VAL 6 HG13 VAL 6 7.108 -13.510 3.410
31 HG21 VAL 6 HG21 VAL 6 9.845 -11.971 3.795
32 HG22 VAL 6 HG22 VAL 6 10.280 -13.485 4.586
33 HG23 VAL 6 HG23 VAL 6 9.179 -13.495 3.209
34 H GLY 7 H GLY 7 10.677 -10.597 5.083
35 HA2 GLY 7 HA2 GLY 7 12.263 -11.848 7.104
36 HA3 GLY 7 HA3 GLY 7 12.817 -10.659 5.934
37 H GLY 8 H GLY 8 10.646 -8.784 6.849
38 HA2 GLY 8 HA2 GLY 8 10.178 -7.474 8.784
39 HA3 GLY 8 HA3 GLY 8 11.635 -8.113 9.531
40 H THR 9 H THR 9 11.278 -6.710 6.303
41 HA THR 9 HA THR 9 12.662 -4.289 7.137
42 HB THR 9 HB THR 9 14.580 -5.595 6.648
43 HG1 THR 9 HG1 THR 9 15.336 -4.548 4.703
44 HG21 THR 9 HG21 THR 9 14.294 -7.464 5.454
45 HG22 THR 9 HG22 THR 9 14.409 -6.451 4.015
46 HG23 THR 9 HG23 THR 9 12.830 -6.840 4.695
47 H CYS 10 H CYS 10 11.138 -2.902 6.437
48 HA CYS 10 HA CYS 10 10.717 -2.701 3.570
49 HB2 CYS 10 HB2 CYS 10 8.821 -4.033 5.073
50 HB3 CYS 10 HB3 CYS 10 8.183 -2.394 4.998
51 H ASN 11 H ASN 11 12.112 -1.122 5.533
52 HA ASN 11 HA ASN 11 10.497 1.195 6.101
53 HB2 ASN 11 HB2 ASN 11 12.700 2.167 6.861
54 HB3 ASN 11 HB3 ASN 11 12.217 0.685 7.682
55 HD21 ASN 11 HD21 ASN 11 14.659 2.251 6.021
56 HD22 ASN 11 HD22 ASN 11 15.698 0.899 5.748
57 H THR 12 H THR 12 9.799 1.773 3.989
58 HA THR 12 HA THR 12 11.896 2.921 2.269
59 HB THR 12 HB THR 12 9.641 2.945 0.718
60 HG1 THR 12 HG1 THR 12 9.605 0.472 2.129
61 HG21 THR 12 HG21 THR 12 11.535 0.605 0.922
62 HG22 THR 12 HG22 THR 12 11.951 2.143 0.167
63 HG23 THR 12 HG23 THR 12 10.656 1.153 -0.504
64 HA PRO 13 HA PRO 13 10.407 7.004 2.883
65 HB2 PRO 13 HB2 PRO 13 10.711 8.091 0.414
66 HB3 PRO 13 HB3 PRO 13 12.076 7.713 1.471
67 HG2 PRO 13 HG2 PRO 13 10.972 6.148 -0.830
68 HG3 PRO 13 HG3 PRO 13 12.663 6.475 -0.407
69 HD2 PRO 13 HD2 PRO 13 11.448 4.123 0.161
70 HD3 PRO 13 HD3 PRO 13 12.715 4.817 1.192
71 H GLY 14 H GLY 14 8.184 6.323 3.279
72 HA2 GLY 14 HA2 GLY 14 6.074 7.460 2.661
73 HA3 GLY 14 HA3 GLY 14 6.413 6.979 1.005
74 H CYS 15 H CYS 15 7.372 4.508 2.989
75 HA CYS 15 HA CYS 15 4.738 3.250 3.138
76 HB2 CYS 15 HB2 CYS 15 7.009 2.359 1.418
77 HB3 CYS 15 HB3 CYS 15 6.029 1.126 2.207
78 H THR 16 H THR 16 4.625 1.483 4.590
79 HA THR 16 HA THR 16 6.956 1.207 6.372
80 HB THR 16 HB THR 16 5.202 0.821 8.214
81 HG1 THR 16 HG1 THR 16 3.284 2.248 7.632
82 HG21 THR 16 HG21 THR 16 6.483 2.736 8.484
83 HG22 THR 16 HG22 THR 16 4.849 3.395 8.391
84 HG23 THR 16 HG23 THR 16 5.907 3.456 6.982
85 H CYS 17 H CYS 17 6.870 -0.792 7.720
86 HA CYS 17 HA CYS 17 6.128 -3.040 6.032
87 HB2 CYS 17 HB2 CYS 17 8.371 -2.957 7.065
88 HB3 CYS 17 HB3 CYS 17 7.626 -2.990 8.660
89 H SER 18 H SER 18 4.800 -4.746 6.673
90 HA SER 18 HA SER 18 3.309 -4.477 9.167
91 HB2 SER 18 HB2 SER 18 1.897 -4.724 6.502
92 HB3 SER 18 HB3 SER 18 1.143 -4.593 8.091
93 HG SER 18 HG SER 18 1.847 -2.496 8.241
94 H TRP 19 H TRP 19 5.127 -6.356 8.919
95 HA TRP 19 HA TRP 19 4.891 -8.692 7.662
96 HB2 TRP 19 HB2 TRP 19 6.417 -8.121 9.625
97 HB3 TRP 19 HB3 TRP 19 5.110 -8.671 10.671
98 HD1 TRP 19 HD1 TRP 19 7.835 -9.954 8.362
99 HE1 TRP 19 HE1 TRP 19 7.976 -12.516 8.570
100 HE3 TRP 19 HE3 TRP 19 3.640 -10.773 11.166
101 HZ2 TRP 19 HZ2 TRP 19 6.504 -14.607 9.765
102 HZ3 TRP 19 HZ3 TRP 19 3.077 -13.083 11.799
103 HH2 TRP 19 HH2 TRP 19 4.480 -14.959 11.112
104 HA PRO 20 HA PRO 20 4.833 -10.848 7.614
105 HB2 PRO 20 HB2 PRO 20 3.388 -12.240 5.785
106 HB3 PRO 20 HB3 PRO 20 3.662 -12.817 7.433
107 HG2 PRO 20 HG2 PRO 20 1.267 -11.439 6.283
108 HG3 PRO 20 HG3 PRO 20 1.338 -12.830 7.381
109 HD2 PRO 20 HD2 PRO 20 0.818 -10.316 8.244
110 HD3 PRO 20 HD3 PRO 20 1.685 -11.507 9.236
111 H VAL 21 H VAL 21 1.988 -9.450 6.005
112 HA VAL 21 HA VAL 21 3.282 -8.902 3.547
113 HB VAL 21 HB VAL 21 1.375 -7.555 2.987
114 HG11 VAL 21 HG11 VAL 21 0.616 -9.957 4.642
115 HG12 VAL 21 HG12 VAL 21 -0.478 -9.122 3.537
116 HG13 VAL 21 HG13 VAL 21 0.968 -9.918 2.914
117 HG21 VAL 21 HG21 VAL 21 1.060 -6.169 4.858
118 HG22 VAL 21 HG22 VAL 21 -0.395 -7.162 4.778
119 HG23 VAL 21 HG23 VAL 21 0.868 -7.542 5.949
120 H CYS 22 H CYS 22 2.843 -6.309 2.915
121 HA CYS 22 HA CYS 22 4.188 -4.645 4.898
122 HB2 CYS 22 HB2 CYS 22 6.049 -5.545 3.646
123 HB3 CYS 22 HB3 CYS 22 5.265 -5.151 2.119
124 H GLY 23 H GLY 23 3.730 -2.473 4.726
125 HA2 GLY 23 HA2 GLY 23 2.908 -0.950 2.656
126 HA3 GLY 23 HA3 GLY 23 1.439 -1.816 3.083
127 H HIS 24 H HIS 24 0.326 -1.270 4.925
128 HA HIS 24 HA HIS 24 1.460 0.692 6.749
129 HB2 HIS 24 HB2 HIS 24 -1.149 1.248 5.328
130 HB3 HIS 24 HB3 HIS 24 -0.325 2.294 6.480
131 HD1 HIS 24 HD1 HIS 24 1.497 3.810 5.589
132 HD2 HIS 24 HD2 HIS 24 0.083 1.123 2.753
133 HE1 HIS 24 HE1 HIS 24 2.490 4.556 3.403
134 H PHE 25 H PHE 25 -0.702 1.377 8.208
135 HA PHE 25 HA PHE 25 -1.598 -1.217 9.259
136 HB2 PHE 25 HB2 PHE 25 -0.270 0.235 10.782
137 HB3 PHE 25 HB3 PHE 25 -1.525 1.463 10.659
138 HD1 PHE 25 HD1 PHE 25 -0.664 -1.835 11.997
139 HD2 PHE 25 HD2 PHE 25 -3.622 1.219 11.804
140 HE1 PHE 25 HE1 PHE 25 -1.867 -2.887 13.868
141 HE2 PHE 25 HE2 PHE 25 -4.829 0.173 13.675
142 HZ PHE 25 HZ PHE 25 -3.952 -1.882 14.710
143 H ARG 26 H ARG 26 -2.681 1.824 7.986
144 HA ARG 26 HA ARG 26 -5.448 1.335 8.738
145 HB2 ARG 26 HB2 ARG 26 -3.886 3.619 7.760
146 HB3 ARG 26 HB3 ARG 26 -5.489 3.497 7.048
147 HG2 ARG 26 HG2 ARG 26 -6.069 3.103 9.660
148 HG3 ARG 26 HG3 ARG 26 -4.682 4.188 9.782
149 HD2 ARG 26 HD2 ARG 26 -5.756 5.889 8.607
150 HD3 ARG 26 HD3 ARG 26 -6.937 4.785 7.903
151 HE ARG 26 HE ARG 26 -7.470 4.649 10.550
152 HH11 ARG 26 HH11 ARG 26 -7.128 7.294 8.312
153 HH12 ARG 26 HH12 ARG 26 -8.239 8.322 9.155
154 HH21 ARG 26 HH21 ARG 26 -8.935 5.993 11.669
155 HH22 ARG 26 HH22 ARG 26 -9.265 7.581 11.065
156 H TRP 27 H TRP 27 -3.965 2.269 5.635
157 HA TRP 27 HA TRP 27 -6.058 1.036 4.134
158 HB2 TRP 27 HB2 TRP 27 -3.375 1.934 3.079
159 HB3 TRP 27 HB3 TRP 27 -4.886 1.780 2.187
160 HD1 TRP 27 HD1 TRP 27 -6.903 3.440 3.734
161 HE1 TRP 27 HE1 TRP 27 -6.617 5.970 4.106
162 HE3 TRP 27 HE3 TRP 27 -1.850 3.796 3.044
163 HZ2 TRP 27 HZ2 TRP 27 -4.526 7.867 4.106
164 HZ3 TRP 27 HZ3 TRP 27 -0.785 6.004 3.247
165 HH2 TRP 27 HH2 TRP 27 -2.097 7.997 3.767
166 H GLY 28 H GLY 28 -2.548 0.400 3.979
167 HA2 GLY 28 HA2 GLY 28 -1.551 -1.738 4.280
168 HA3 GLY 28 HA3 GLY 28 -3.122 -2.477 4.007
169 H VAL 29 H VAL 29 -1.579 -0.008 2.012
170 HA VAL 29 HA VAL 29 -0.978 -1.987 -0.049
171 HB VAL 29 HB VAL 29 -2.727 0.415 -0.596
172 HG11 VAL 29 HG11 VAL 29 -1.715 0.207 -2.607
173 HG12 VAL 29 HG12 VAL 29 -1.244 -1.470 -2.319
174 HG13 VAL 29 HG13 VAL 29 -2.894 -1.088 -2.813
175 HG21 VAL 29 HG21 VAL 29 -4.462 -1.247 -1.135
176 HG22 VAL 29 HG22 VAL 29 -3.384 -2.530 -0.585
177 HG23 VAL 29 HG23 VAL 29 -3.969 -1.321 0.557
Start of MODEL 16
1 H1 CYS 1 H CYS 1 2.151 0.204 0.627
2 HA CYS 1 HA CYS 1 2.506 1.005 -2.068
3 HB2 CYS 1 HB2 CYS 1 4.147 -0.640 -0.155
4 HB3 CYS 1 HB3 CYS 1 4.650 -0.413 -1.827
5 H GLY 2 H GLY 2 1.748 -2.067 -0.531
6 HA2 GLY 2 HA2 GLY 2 0.503 -3.766 -1.624
7 HA3 GLY 2 HA3 GLY 2 1.054 -3.139 -3.170
8 H GLU 3 H GLU 3 2.881 -4.073 -0.268
9 HA GLU 3 HA GLU 3 4.081 -6.279 -1.775
10 HB2 GLU 3 HB2 GLU 3 5.592 -4.051 -0.414
11 HB3 GLU 3 HB3 GLU 3 6.333 -5.586 -0.845
12 HG2 GLU 3 HG2 GLU 3 4.892 -4.119 -2.975
13 HG3 GLU 3 HG3 GLU 3 6.432 -3.463 -2.425
14 H THR 4 H THR 4 5.826 -7.303 -0.083
15 HA THR 4 HA THR 4 4.616 -7.459 2.573
16 HB THR 4 HB THR 4 3.465 -9.262 1.604
17 HG1 THR 4 HG1 THR 4 5.818 -10.524 2.580
18 HG21 THR 4 HG21 THR 4 5.979 -9.657 0.058
19 HG22 THR 4 HG22 THR 4 4.302 -9.677 -0.489
20 HG23 THR 4 HG23 THR 4 4.965 -11.063 0.376
21 H CYS 5 H CYS 5 6.122 -7.496 4.110
22 HA CYS 5 HA CYS 5 8.887 -8.124 3.326
23 HB2 CYS 5 HB2 CYS 5 9.509 -6.808 5.373
24 HB3 CYS 5 HB3 CYS 5 8.695 -5.870 4.125
25 H VAL 6 H VAL 6 7.925 -10.414 3.608
26 HA VAL 6 HA VAL 6 7.301 -11.501 6.086
27 HB VAL 6 HB VAL 6 8.830 -12.884 3.878
28 HG11 VAL 6 HG11 VAL 6 7.718 -14.914 4.795
29 HG12 VAL 6 HG12 VAL 6 8.880 -14.175 5.899
30 HG13 VAL 6 HG13 VAL 6 7.150 -13.937 6.148
31 HG21 VAL 6 HG21 VAL 6 6.002 -12.069 4.140
32 HG22 VAL 6 HG22 VAL 6 6.986 -12.305 2.696
33 HG23 VAL 6 HG23 VAL 6 6.299 -13.698 3.532
34 H GLY 7 H GLY 7 10.365 -10.505 4.804
35 HA2 GLY 7 HA2 GLY 7 11.930 -11.992 6.727
36 HA3 GLY 7 HA3 GLY 7 12.533 -10.801 5.584
37 H GLY 8 H GLY 8 10.300 -8.972 6.679
38 HA2 GLY 8 HA2 GLY 8 9.952 -7.659 8.608
39 HA3 GLY 8 HA3 GLY 8 11.389 -8.373 9.325
40 H THR 9 H THR 9 11.308 -7.039 6.087
41 HA THR 9 HA THR 9 12.695 -4.627 7.000
42 HB THR 9 HB THR 9 14.557 -6.014 6.505
43 HG1 THR 9 HG1 THR 9 14.313 -4.735 4.017
44 HG21 THR 9 HG21 THR 9 12.775 -7.129 4.503
45 HG22 THR 9 HG22 THR 9 14.205 -7.835 5.256
46 HG23 THR 9 HG23 THR 9 14.375 -6.791 3.846
47 H CYS 10 H CYS 10 11.309 -3.120 6.290
48 HA CYS 10 HA CYS 10 10.879 -2.899 3.425
49 HB2 CYS 10 HB2 CYS 10 8.899 -4.068 4.968
50 HB3 CYS 10 HB3 CYS 10 8.386 -2.387 4.859
51 H ASN 11 H ASN 11 12.308 -1.459 5.587
52 HA ASN 11 HA ASN 11 10.928 0.965 6.137
53 HB2 ASN 11 HB2 ASN 11 13.188 1.797 6.820
54 HB3 ASN 11 HB3 ASN 11 12.723 0.284 7.593
55 HD21 ASN 11 HD21 ASN 11 15.040 1.882 5.735
56 HD22 ASN 11 HD22 ASN 11 16.046 0.525 5.374
57 H THR 12 H THR 12 10.230 2.119 4.428
58 HA THR 12 HA THR 12 12.271 3.084 2.545
59 HB THR 12 HB THR 12 9.999 3.107 1.007
60 HG1 THR 12 HG1 THR 12 9.094 1.685 2.740
61 HG21 THR 12 HG21 THR 12 11.545 2.214 -0.326
62 HG22 THR 12 HG22 THR 12 11.297 0.660 0.471
63 HG23 THR 12 HG23 THR 12 12.531 1.770 1.067
64 HA PRO 13 HA PRO 13 10.698 7.113 3.292
65 HB2 PRO 13 HB2 PRO 13 10.983 8.286 0.861
66 HB3 PRO 13 HB3 PRO 13 12.354 7.901 1.908
67 HG2 PRO 13 HG2 PRO 13 11.287 6.391 -0.446
68 HG3 PRO 13 HG3 PRO 13 12.970 6.738 -0.009
69 HD2 PRO 13 HD2 PRO 13 11.802 4.344 0.479
70 HD3 PRO 13 HD3 PRO 13 13.053 5.030 1.536
71 H GLY 14 H GLY 14 8.492 6.491 3.690
72 HA2 GLY 14 HA2 GLY 14 6.367 7.578 3.084
73 HA3 GLY 14 HA3 GLY 14 6.710 7.129 1.420
74 H CYS 15 H CYS 15 7.712 4.622 3.315
75 HA CYS 15 HA CYS 15 5.104 3.343 3.548
76 HB2 CYS 15 HB2 CYS 15 6.795 2.878 1.327
77 HB3 CYS 15 HB3 CYS 15 6.898 1.448 2.349
78 H THR 16 H THR 16 5.043 1.650 5.020
79 HA THR 16 HA THR 16 7.528 1.202 6.542
80 HB THR 16 HB THR 16 5.987 0.820 8.535
81 HG1 THR 16 HG1 THR 16 4.009 0.712 7.428
82 HG21 THR 16 HG21 THR 16 5.805 3.226 9.028
83 HG22 THR 16 HG22 THR 16 6.150 3.588 7.337
84 HG23 THR 16 HG23 THR 16 7.375 2.812 8.340
85 H CYS 17 H CYS 17 7.481 -0.844 7.839
86 HA CYS 17 HA CYS 17 6.563 -3.008 6.132
87 HB2 CYS 17 HB2 CYS 17 8.860 -3.058 6.993
88 HB3 CYS 17 HB3 CYS 17 8.249 -3.056 8.644
89 H SER 18 H SER 18 5.135 -4.609 6.721
90 HA SER 18 HA SER 18 3.852 -4.437 9.344
91 HB2 SER 18 HB2 SER 18 2.589 -3.071 7.557
92 HB3 SER 18 HB3 SER 18 2.154 -4.633 6.863
93 HG SER 18 HG SER 18 1.464 -3.551 9.372
94 H TRP 19 H TRP 19 5.575 -6.373 8.850
95 HA TRP 19 HA TRP 19 5.104 -8.629 7.499
96 HB2 TRP 19 HB2 TRP 19 6.900 -8.308 9.208
97 HB3 TRP 19 HB3 TRP 19 5.710 -8.646 10.462
98 HD1 TRP 19 HD1 TRP 19 8.028 -10.341 8.045
99 HE1 TRP 19 HE1 TRP 19 7.821 -12.895 8.290
100 HE3 TRP 19 HE3 TRP 19 3.866 -10.536 11.007
101 HZ2 TRP 19 HZ2 TRP 19 6.118 -14.747 9.569
102 HZ3 TRP 19 HZ3 TRP 19 3.011 -12.739 11.696
103 HH2 TRP 19 HH2 TRP 19 4.115 -14.799 10.991
104 HA PRO 20 HA PRO 20 4.951 -10.782 7.372
105 HB2 PRO 20 HB2 PRO 20 3.258 -12.034 5.659
106 HB3 PRO 20 HB3 PRO 20 3.684 -12.694 7.242
107 HG2 PRO 20 HG2 PRO 20 1.239 -11.175 6.419
108 HG3 PRO 20 HG3 PRO 20 1.369 -12.615 7.445
109 HD2 PRO 20 HD2 PRO 20 1.055 -10.125 8.461
110 HD3 PRO 20 HD3 PRO 20 1.972 -11.391 9.303
111 H VAL 21 H VAL 21 2.040 -9.129 6.204
112 HA VAL 21 HA VAL 21 3.028 -8.560 3.612
113 HB VAL 21 HB VAL 21 1.178 -7.056 3.369
114 HG11 VAL 21 HG11 VAL 21 -0.574 -8.546 3.645
115 HG12 VAL 21 HG12 VAL 21 0.834 -9.611 3.657
116 HG13 VAL 21 HG13 VAL 21 0.054 -9.160 5.174
117 HG21 VAL 21 HG21 VAL 21 0.934 -7.195 6.371
118 HG22 VAL 21 HG22 VAL 21 1.372 -5.785 5.406
119 HG23 VAL 21 HG23 VAL 21 -0.257 -6.453 5.302
120 H CYS 22 H CYS 22 2.724 -5.915 3.146
121 HA CYS 22 HA CYS 22 4.383 -4.413 5.000
122 HB2 CYS 22 HB2 CYS 22 6.106 -5.409 3.674
123 HB3 CYS 22 HB3 CYS 22 5.240 -5.065 2.180
124 H GLY 23 H GLY 23 4.050 -2.227 4.901
125 HA2 GLY 23 HA2 GLY 23 3.314 -0.550 2.960
126 HA3 GLY 23 HA3 GLY 23 1.793 -1.371 3.277
127 H HIS 24 H HIS 24 0.557 -0.713 4.944
128 HA HIS 24 HA HIS 24 1.745 1.054 6.960
129 HB2 HIS 24 HB2 HIS 24 -0.874 1.682 5.593
130 HB3 HIS 24 HB3 HIS 24 0.000 2.687 6.745
131 HD1 HIS 24 HD1 HIS 24 1.646 4.317 5.803
132 HD2 HIS 24 HD2 HIS 24 0.456 1.475 3.016
133 HE1 HIS 24 HE1 HIS 24 2.631 5.068 3.614
134 H PHE 25 H PHE 25 -0.396 1.675 8.458
135 HA PHE 25 HA PHE 25 -1.325 -0.959 9.373
136 HB2 PHE 25 HB2 PHE 25 -0.030 0.189 11.049
137 HB3 PHE 25 HB3 PHE 25 -0.986 1.655 10.852
138 HD1 PHE 25 HD2 PHE 25 -1.246 -1.902 11.890
139 HD2 PHE 25 HD1 PHE 25 -2.837 2.034 12.196
140 HE1 PHE 25 HE2 PHE 25 -2.761 -2.657 13.675
141 HE2 PHE 25 HE1 PHE 25 -4.354 1.285 13.983
142 HZ PHE 25 HZ PHE 25 -4.319 -1.063 14.723
143 H ARG 26 H ARG 26 -2.361 2.141 8.234
144 HA ARG 26 HA ARG 26 -5.094 1.845 9.090
145 HB2 ARG 26 HB2 ARG 26 -3.462 3.919 7.950
146 HB3 ARG 26 HB3 ARG 26 -4.942 3.751 7.014
147 HG2 ARG 26 HG2 ARG 26 -5.676 3.674 9.736
148 HG3 ARG 26 HG3 ARG 26 -4.546 5.014 9.534
149 HD2 ARG 26 HD2 ARG 26 -6.080 5.417 7.381
150 HD3 ARG 26 HD3 ARG 26 -7.262 4.626 8.423
151 HE ARG 26 HE ARG 26 -5.823 6.774 9.690
152 HH11 ARG 26 HH11 ARG 26 -8.589 5.903 7.765
153 HH12 ARG 26 HH12 ARG 26 -9.510 7.297 8.223
154 HH21 ARG 26 HH21 ARG 26 -7.025 8.614 10.301
155 HH22 ARG 26 HH22 ARG 26 -8.619 8.839 9.665
156 H TRP 27 H TRP 27 -3.517 1.939 5.890
157 HA TRP 27 HA TRP 27 -5.826 0.510 4.780
158 HB2 TRP 27 HB2 TRP 27 -3.773 2.349 3.650
159 HB3 TRP 27 HB3 TRP 27 -4.442 1.116 2.585
160 HD1 TRP 27 HD1 TRP 27 -4.973 4.557 3.218
161 HE1 TRP 27 HE1 TRP 27 -7.404 5.292 2.799
162 HE3 TRP 27 HE3 TRP 27 -7.220 -0.035 3.209
163 HZ2 TRP 27 HZ2 TRP 27 -9.939 4.085 2.505
164 HZ3 TRP 27 HZ3 TRP 27 -9.651 -0.158 2.853
165 HH2 TRP 27 HH2 TRP 27 -10.981 1.861 2.509
166 H GLY 28 H GLY 28 -2.512 0.505 3.561
167 HA2 GLY 28 HA2 GLY 28 -1.106 -1.500 4.169
168 HA3 GLY 28 HA3 GLY 28 -2.542 -2.440 3.792
169 H VAL 29 H VAL 29 -0.791 0.224 2.190
170 HA VAL 29 HA VAL 29 -0.287 -1.506 -0.103
171 HB VAL 29 HB VAL 29 -1.096 0.333 -1.654
172 HG11 VAL 29 HG11 VAL 29 -2.275 -1.807 -1.310
173 HG12 VAL 29 HG12 VAL 29 -3.199 -1.063 -0.004
174 HG13 VAL 29 HG13 VAL 29 -3.375 -0.473 -1.657
175 HG21 VAL 29 HG21 VAL 29 -1.470 1.711 0.717
176 HG22 VAL 29 HG22 VAL 29 -2.069 2.183 -0.873
177 HG23 VAL 29 HG23 VAL 29 -3.103 1.265 0.222
Start of MODEL 17
1 H1 CYS 1 H CYS 1 1.035 -0.424 0.962
2 HA CYS 1 HA CYS 1 1.748 0.329 -1.638
3 HB2 CYS 1 HB2 CYS 1 3.425 -1.090 0.443
4 HB3 CYS 1 HB3 CYS 1 4.050 -0.260 -0.978
5 H GLY 2 H GLY 2 1.278 -2.820 -0.185
6 HA2 GLY 2 HA2 GLY 2 0.916 -4.846 -1.250
7 HA3 GLY 2 HA3 GLY 2 1.198 -4.049 -2.790
8 H GLU 3 H GLU 3 3.391 -4.103 -0.026
9 HA GLU 3 HA GLU 3 5.314 -5.578 -1.700
10 HB2 GLU 3 HB2 GLU 3 5.582 -3.244 0.088
11 HB3 GLU 3 HB3 GLU 3 6.864 -4.441 0.216
12 HG2 GLU 3 HG2 GLU 3 7.435 -2.683 -1.364
13 HG3 GLU 3 HG3 GLU 3 7.313 -4.251 -2.160
14 H THR 4 H THR 4 7.138 -6.478 -0.063
15 HA THR 4 HA THR 4 5.664 -8.197 1.818
16 HB THR 4 HB THR 4 8.085 -9.427 1.520
17 HG1 THR 4 HG1 THR 4 8.841 -9.128 -0.471
18 HG21 THR 4 HG21 THR 4 5.577 -9.793 -0.120
19 HG22 THR 4 HG22 THR 4 5.958 -10.564 1.420
20 HG23 THR 4 HG23 THR 4 6.889 -10.967 -0.023
21 H CYS 5 H CYS 5 6.583 -8.688 3.850
22 HA CYS 5 HA CYS 5 8.933 -7.214 4.712
23 HB2 CYS 5 HB2 CYS 5 6.827 -5.749 4.993
24 HB3 CYS 5 HB3 CYS 5 6.393 -6.861 6.288
25 H VAL 6 H VAL 6 7.925 -10.031 4.418
26 HA VAL 6 HA VAL 6 7.364 -11.269 6.818
27 HB VAL 6 HB VAL 6 9.141 -12.341 4.621
28 HG11 VAL 6 HG11 VAL 6 9.470 -13.795 6.401
29 HG12 VAL 6 HG12 VAL 6 7.814 -13.615 6.984
30 HG13 VAL 6 HG13 VAL 6 8.139 -14.546 5.521
31 HG21 VAL 6 HG21 VAL 6 6.176 -12.190 4.965
32 HG22 VAL 6 HG22 VAL 6 7.155 -11.865 3.535
33 HG23 VAL 6 HG23 VAL 6 6.892 -13.527 4.065
34 H GLY 7 H GLY 7 10.499 -10.256 5.536
35 HA2 GLY 7 HA2 GLY 7 11.838 -11.258 7.940
36 HA3 GLY 7 HA3 GLY 7 12.627 -10.654 6.491
37 H GLY 8 H GLY 8 10.023 -8.798 7.776
38 HA2 GLY 8 HA2 GLY 8 9.956 -6.713 8.733
39 HA3 GLY 8 HA3 GLY 8 11.347 -7.232 9.675
40 H THR 9 H THR 9 11.697 -7.281 6.261
41 HA THR 9 HA THR 9 13.340 -4.840 6.417
42 HB THR 9 HB THR 9 14.796 -6.648 5.948
43 HG1 THR 9 HG1 THR 9 14.156 -5.582 3.387
44 HG21 THR 9 HG21 THR 9 12.538 -7.613 4.296
45 HG22 THR 9 HG22 THR 9 13.678 -8.514 5.296
46 HG23 THR 9 HG23 THR 9 14.159 -7.959 3.693
47 H CYS 10 H CYS 10 11.430 -3.575 5.941
48 HA CYS 10 HA CYS 10 11.044 -3.292 3.076
49 HB2 CYS 10 HB2 CYS 10 9.265 -4.876 3.870
50 HB3 CYS 10 HB3 CYS 10 8.656 -3.589 4.905
51 H ASN 11 H ASN 11 12.463 -1.515 4.252
52 HA ASN 11 HA ASN 11 10.826 0.604 5.393
53 HB2 ASN 11 HB2 ASN 11 13.775 0.150 5.080
54 HB3 ASN 11 HB3 ASN 11 13.167 1.771 5.405
55 HD21 ASN 11 HD21 ASN 11 13.474 -1.476 6.630
56 HD22 ASN 11 HD22 ASN 11 13.150 -1.094 8.284
57 H THR 12 H THR 12 9.956 2.163 4.211
58 HA THR 12 HA THR 12 11.319 3.124 1.819
59 HB THR 12 HB THR 12 8.610 3.025 1.060
60 HG1 THR 12 HG1 THR 12 8.179 0.786 1.213
61 HG21 THR 12 HG21 THR 12 11.195 1.910 0.173
62 HG22 THR 12 HG22 THR 12 9.978 2.814 -0.730
63 HG23 THR 12 HG23 THR 12 9.758 1.089 -0.435
64 HA PRO 13 HA PRO 13 9.900 7.031 3.248
65 HB2 PRO 13 HB2 PRO 13 9.884 8.419 0.915
66 HB3 PRO 13 HB3 PRO 13 11.373 7.961 1.750
67 HG2 PRO 13 HG2 PRO 13 10.031 6.651 -0.583
68 HG3 PRO 13 HG3 PRO 13 11.754 6.981 -0.324
69 HD2 PRO 13 HD2 PRO 13 10.660 4.538 0.085
70 HD3 PRO 13 HD3 PRO 13 12.029 5.143 1.040
71 H GLY 14 H GLY 14 7.779 6.611 3.915
72 HA2 GLY 14 HA2 GLY 14 5.591 7.601 3.673
73 HA3 GLY 14 HA3 GLY 14 5.730 7.369 1.936
74 H CYS 15 H CYS 15 6.931 4.668 3.444
75 HA CYS 15 HA CYS 15 4.310 3.327 3.444
76 HB2 CYS 15 HB2 CYS 15 5.749 2.903 1.368
77 HB3 CYS 15 HB3 CYS 15 6.829 2.013 2.437
78 H THR 16 H THR 16 4.016 1.701 4.946
79 HA THR 16 HA THR 16 6.125 1.492 6.994
80 HB THR 16 HB THR 16 3.740 0.567 8.127
81 HG1 THR 16 HG1 THR 16 2.346 2.387 7.746
82 HG21 THR 16 HG21 THR 16 5.581 2.842 8.433
83 HG22 THR 16 HG22 THR 16 4.947 1.725 9.642
84 HG23 THR 16 HG23 THR 16 3.969 3.090 9.103
85 H CYS 17 H CYS 17 5.675 -0.610 8.387
86 HA CYS 17 HA CYS 17 5.691 -2.832 6.470
87 HB2 CYS 17 HB2 CYS 17 7.712 -2.598 7.822
88 HB3 CYS 17 HB3 CYS 17 6.755 -2.667 9.298
89 H SER 18 H SER 18 4.426 -4.646 6.746
90 HA SER 18 HA SER 18 2.541 -4.693 8.984
91 HB2 SER 18 HB2 SER 18 1.710 -4.854 6.077
92 HB3 SER 18 HB3 SER 18 0.645 -5.125 7.456
93 HG SER 18 HG SER 18 1.318 -2.815 6.309
94 H TRP 19 H TRP 19 4.648 -6.326 8.918
95 HA TRP 19 HA TRP 19 4.841 -8.625 7.586
96 HB2 TRP 19 HB2 TRP 19 6.142 -8.050 9.629
97 HB3 TRP 19 HB3 TRP 19 4.760 -8.531 10.609
98 HD1 TRP 19 HD1 TRP 19 7.785 -9.915 8.897
99 HE1 TRP 19 HE1 TRP 19 7.864 -12.471 9.191
100 HE3 TRP 19 HE3 TRP 19 3.079 -10.664 10.749
101 HZ2 TRP 19 HZ2 TRP 19 6.157 -14.532 10.089
102 HZ3 TRP 19 HZ3 TRP 19 2.380 -12.958 11.300
103 HH2 TRP 19 HH2 TRP 19 3.888 -14.850 10.975
104 HA PRO 20 HA PRO 20 5.057 -10.775 7.500
105 HB2 PRO 20 HB2 PRO 20 4.015 -12.273 5.490
106 HB3 PRO 20 HB3 PRO 20 4.165 -12.863 7.149
107 HG2 PRO 20 HG2 PRO 20 1.768 -11.748 5.745
108 HG3 PRO 20 HG3 PRO 20 1.881 -13.153 6.821
109 HD2 PRO 20 HD2 PRO 20 0.962 -10.747 7.658
110 HD3 PRO 20 HD3 PRO 20 1.848 -11.855 8.726
111 H VAL 21 H VAL 21 2.270 -9.600 5.650
112 HA VAL 21 HA VAL 21 3.740 -8.863 3.338
113 HB VAL 21 HB VAL 21 1.773 -7.685 2.619
114 HG11 VAL 21 HG11 VAL 21 0.952 -10.149 4.154
115 HG12 VAL 21 HG12 VAL 21 0.102 -9.441 2.780
116 HG13 VAL 21 HG13 VAL 21 1.706 -10.141 2.560
117 HG21 VAL 21 HG21 VAL 21 -0.184 -7.452 4.170
118 HG22 VAL 21 HG22 VAL 21 0.893 -7.898 5.494
119 HG23 VAL 21 HG23 VAL 21 1.198 -6.430 4.564
120 H CYS 22 H CYS 22 3.115 -6.308 2.721
121 HA CYS 22 HA CYS 22 4.235 -4.642 4.863
122 HB2 CYS 22 HB2 CYS 22 6.011 -5.391 3.207
123 HB3 CYS 22 HB3 CYS 22 5.161 -4.435 1.997
124 H GLY 23 H GLY 23 3.844 -2.350 4.591
125 HA2 GLY 23 HA2 GLY 23 2.659 -0.824 2.834
126 HA3 GLY 23 HA3 GLY 23 1.305 -1.885 3.195
127 H HIS 24 H HIS 24 0.022 -1.389 4.863
128 HA HIS 24 HA HIS 24 1.019 0.273 7.035
129 HB2 HIS 24 HB2 HIS 24 -1.463 1.103 5.531
130 HB3 HIS 24 HB3 HIS 24 -0.633 1.984 6.810
131 HD1 HIS 24 HD1 HIS 24 1.252 3.518 6.128
132 HD2 HIS 24 HD2 HIS 24 -0.101 1.133 3.007
133 HE1 HIS 24 HE1 HIS 24 2.373 4.414 4.063
134 H PHE 25 H PHE 25 -1.255 0.830 8.370
135 HA PHE 25 HA PHE 25 -2.357 -1.843 8.919
136 HB2 PHE 25 HB2 PHE 25 -2.800 0.142 11.002
137 HB3 PHE 25 HB3 PHE 25 -2.076 -1.459 11.114
138 HD1 PHE 25 HD1 PHE 25 0.320 -1.762 10.891
139 HD2 PHE 25 HD2 PHE 25 -1.444 2.107 10.694
140 HE1 PHE 25 HE1 PHE 25 2.535 -0.739 11.210
141 HE2 PHE 25 HE2 PHE 25 0.768 3.136 11.011
142 HZ PHE 25 HZ PHE 25 2.761 1.713 11.269
143 H ARG 26 H ARG 26 -3.151 1.533 8.401
144 HA ARG 26 HA ARG 26 -5.949 1.233 8.916
145 HB2 ARG 26 HB2 ARG 26 -4.166 3.374 8.469
146 HB3 ARG 26 HB3 ARG 26 -5.372 3.462 7.192
147 HG2 ARG 26 HG2 ARG 26 -7.034 3.127 9.210
148 HG3 ARG 26 HG3 ARG 26 -5.682 3.797 10.125
149 HD2 ARG 26 HD2 ARG 26 -6.228 5.260 7.668
150 HD3 ARG 26 HD3 ARG 26 -7.605 5.235 8.769
151 HE ARG 26 HE ARG 26 -5.550 5.906 10.386
152 HH11 ARG 26 HH11 ARG 26 -6.683 7.152 7.339
153 HH12 ARG 26 HH12 ARG 26 -6.146 8.769 7.652
154 HH21 ARG 26 HH21 ARG 26 -4.838 8.031 10.809
155 HH22 ARG 26 HH22 ARG 26 -5.095 9.268 9.626
156 H TRP 27 H TRP 27 -4.017 1.595 5.947
157 HA TRP 27 HA TRP 27 -6.340 0.848 4.344
158 HB2 TRP 27 HB2 TRP 27 -3.586 1.575 3.343
159 HB3 TRP 27 HB3 TRP 27 -5.097 1.578 2.439
160 HD1 TRP 27 HD1 TRP 27 -6.994 3.341 3.987
161 HE1 TRP 27 HE1 TRP 27 -6.508 5.819 4.486
162 HE3 TRP 27 HE3 TRP 27 -1.908 3.291 3.470
163 HZ2 TRP 27 HZ2 TRP 27 -4.266 7.526 4.640
164 HZ3 TRP 27 HZ3 TRP 27 -0.668 5.389 3.810
165 HH2 TRP 27 HH2 TRP 27 -1.824 7.462 4.382
166 H GLY 28 H GLY 28 -2.887 -0.046 4.178
167 HA2 GLY 28 HA2 GLY 28 -2.128 -2.310 4.487
168 HA3 GLY 28 HA3 GLY 28 -3.717 -2.866 3.984
169 H VAL 29 H VAL 29 -1.774 -0.398 2.382
170 HA VAL 29 HA VAL 29 -1.066 -2.253 0.247
171 HB VAL 29 HB VAL 29 -2.636 0.269 -0.308
172 HG11 VAL 29 HG11 VAL 29 -2.626 -0.587 -2.646
173 HG12 VAL 29 HG12 VAL 29 -1.031 -0.123 -2.049
174 HG13 VAL 29 HG13 VAL 29 -1.479 -1.827 -2.140
175 HG21 VAL 29 HG21 VAL 29 -4.358 -1.301 -1.171
176 HG22 VAL 29 HG22 VAL 29 -3.420 -2.637 -0.505
177 HG23 VAL 29 HG23 VAL 29 -4.107 -1.419 0.570
Start of MODEL 18
1 H1 CYS 1 H CYS 1 2.179 -1.077 1.035
2 HA CYS 1 HA CYS 1 1.930 0.581 -1.304
3 HB2 CYS 1 HB2 CYS 1 4.093 -0.610 0.255
4 HB3 CYS 1 HB3 CYS 1 4.387 -0.685 -1.479
5 H GLY 2 H GLY 2 2.039 -2.846 -0.594
6 HA2 GLY 2 HA2 GLY 2 0.753 -4.139 -2.348
7 HA3 GLY 2 HA3 GLY 2 1.872 -3.408 -3.489
8 H GLU 3 H GLU 3 4.036 -3.687 -1.371
9 HA GLU 3 HA GLU 3 4.797 -6.392 -2.138
10 HB2 GLU 3 HB2 GLU 3 7.020 -5.799 -1.393
11 HB3 GLU 3 HB3 GLU 3 6.395 -4.522 -2.428
12 HG2 GLU 3 HG2 GLU 3 5.646 -3.498 -0.116
13 HG3 GLU 3 HG3 GLU 3 6.965 -4.502 0.483
14 H THR 4 H THR 4 6.183 -7.534 -0.342
15 HA THR 4 HA THR 4 4.501 -7.619 2.074
16 HB THR 4 HB THR 4 4.362 -9.722 0.989
17 HG1 THR 4 HG1 THR 4 4.956 -10.925 2.674
18 HG21 THR 4 HG21 THR 4 6.003 -9.955 -0.578
19 HG22 THR 4 HG22 THR 4 6.710 -10.950 0.694
20 HG23 THR 4 HG23 THR 4 7.252 -9.287 0.471
21 H CYS 5 H CYS 5 5.584 -8.194 4.098
22 HA CYS 5 HA CYS 5 8.393 -7.310 4.181
23 HB2 CYS 5 HB2 CYS 5 6.660 -5.612 5.017
24 HB3 CYS 5 HB3 CYS 5 6.410 -6.710 6.370
25 H VAL 6 H VAL 6 7.432 -9.997 4.044
26 HA VAL 6 HA VAL 6 7.103 -11.388 6.374
27 HB VAL 6 HB VAL 6 8.866 -12.251 4.076
28 HG11 VAL 6 HG11 VAL 6 9.292 -13.939 5.505
29 HG12 VAL 6 HG12 VAL 6 7.878 -13.592 6.503
30 HG13 VAL 6 HG13 VAL 6 7.698 -14.503 5.003
31 HG21 VAL 6 HG21 VAL 6 6.512 -13.523 3.701
32 HG22 VAL 6 HG22 VAL 6 5.948 -11.996 4.379
33 HG23 VAL 6 HG23 VAL 6 6.943 -12.000 2.924
34 H GLY 7 H GLY 7 10.255 -10.623 4.878
35 HA2 GLY 7 HA2 GLY 7 11.830 -11.653 6.968
36 HA3 GLY 7 HA3 GLY 7 12.358 -10.466 5.784
37 H GLY 8 H GLY 8 10.129 -8.641 6.664
38 HA2 GLY 8 HA2 GLY 8 9.629 -7.238 8.492
39 HA3 GLY 8 HA3 GLY 8 10.980 -7.938 9.370
40 H THR 9 H THR 9 11.385 -6.860 6.093
41 HA THR 9 HA THR 9 12.489 -4.297 6.931
42 HB THR 9 HB THR 9 14.462 -5.584 7.164
43 HG1 THR 9 HG1 THR 9 14.699 -4.676 4.491
44 HG21 THR 9 HG21 THR 9 13.319 -7.129 4.968
45 HG22 THR 9 HG22 THR 9 14.447 -7.622 6.231
46 HG23 THR 9 HG23 THR 9 15.045 -6.825 4.776
47 H CYS 10 H CYS 10 11.073 -3.166 5.677
48 HA CYS 10 HA CYS 10 11.541 -3.249 2.811
49 HB2 CYS 10 HB2 CYS 10 9.234 -3.485 2.188
50 HB3 CYS 10 HB3 CYS 10 9.643 -4.829 3.250
51 H ASN 11 H ASN 11 11.908 -1.432 5.176
52 HA ASN 11 HA ASN 11 10.173 0.713 5.203
53 HB2 ASN 11 HB2 ASN 11 12.095 2.067 5.969
54 HB3 ASN 11 HB3 ASN 11 12.018 0.508 6.784
55 HD21 ASN 11 HD21 ASN 11 13.982 2.648 5.188
56 HD22 ASN 11 HD22 ASN 11 15.301 1.592 4.825
57 H THR 12 H THR 12 9.529 2.094 3.700
58 HA THR 12 HA THR 12 11.389 2.831 1.546
59 HB THR 12 HB THR 12 9.001 2.963 0.247
60 HG1 THR 12 HG1 THR 12 8.906 0.526 1.711
61 HG21 THR 12 HG21 THR 12 10.043 0.320 -0.109
62 HG22 THR 12 HG22 THR 12 11.380 1.449 0.111
63 HG23 THR 12 HG23 THR 12 10.195 1.723 -1.165
64 HA PRO 13 HA PRO 13 10.190 6.993 2.255
65 HB2 PRO 13 HB2 PRO 13 10.208 8.029 -0.254
66 HB3 PRO 13 HB3 PRO 13 11.684 7.597 0.618
67 HG2 PRO 13 HG2 PRO 13 10.206 6.059 -1.482
68 HG3 PRO 13 HG3 PRO 13 11.952 6.306 -1.297
69 HD2 PRO 13 HD2 PRO 13 10.713 4.026 -0.523
70 HD3 PRO 13 HD3 PRO 13 12.140 4.669 0.315
71 H GLY 14 H GLY 14 7.993 6.269 2.918
72 HA2 GLY 14 HA2 GLY 14 5.884 7.588 2.543
73 HA3 GLY 14 HA3 GLY 14 5.964 6.990 0.893
74 H CYS 15 H CYS 15 7.081 4.580 2.855
75 HA CYS 15 HA CYS 15 4.454 3.495 3.516
76 HB2 CYS 15 HB2 CYS 15 6.136 2.569 1.304
77 HB3 CYS 15 HB3 CYS 15 5.687 1.286 2.422
78 H THR 16 H THR 16 4.554 1.647 4.941
79 HA THR 16 HA THR 16 7.130 1.403 6.353
80 HB THR 16 HB THR 16 4.780 0.907 8.020
81 HG1 THR 16 HG1 THR 16 5.274 3.607 7.289
82 HG21 THR 16 HG21 THR 16 6.287 1.409 9.584
83 HG22 THR 16 HG22 THR 16 6.517 3.019 8.904
84 HG23 THR 16 HG23 THR 16 7.471 1.664 8.304
85 H CYS 17 H CYS 17 6.740 -0.562 8.060
86 HA CYS 17 HA CYS 17 6.288 -2.865 6.338
87 HB2 CYS 17 HB2 CYS 17 8.340 -2.745 7.706
88 HB3 CYS 17 HB3 CYS 17 7.356 -2.725 9.166
89 H SER 18 H SER 18 4.779 -4.451 6.690
90 HA SER 18 HA SER 18 2.954 -4.166 8.959
91 HB2 SER 18 HB2 SER 18 1.960 -4.428 6.113
92 HB3 SER 18 HB3 SER 18 0.979 -4.251 7.567
93 HG SER 18 HG SER 18 1.734 -2.167 7.800
94 H TRP 19 H TRP 19 4.796 -6.075 8.947
95 HA TRP 19 HA TRP 19 4.667 -8.420 7.689
96 HB2 TRP 19 HB2 TRP 19 5.956 -7.832 9.825
97 HB3 TRP 19 HB3 TRP 19 4.536 -8.397 10.701
98 HD1 TRP 19 HD1 TRP 19 7.502 -9.654 8.678
99 HE1 TRP 19 HE1 TRP 19 7.641 -12.214 8.902
100 HE3 TRP 19 HE3 TRP 19 3.063 -10.503 11.068
101 HZ2 TRP 19 HZ2 TRP 19 6.076 -14.316 9.953
102 HZ3 TRP 19 HZ3 TRP 19 2.459 -12.816 11.647
103 HH2 TRP 19 HH2 TRP 19 3.935 -14.682 11.099
104 HA PRO 20 HA PRO 20 4.586 -10.584 7.681
105 HB2 PRO 20 HB2 PRO 20 3.344 -11.994 5.721
106 HB3 PRO 20 HB3 PRO 20 3.414 -12.541 7.401
107 HG2 PRO 20 HG2 PRO 20 1.191 -11.155 5.951
108 HG3 PRO 20 HG3 PRO 20 1.112 -12.524 7.076
109 HD2 PRO 20 HD2 PRO 20 0.534 -9.987 7.825
110 HD3 PRO 20 HD3 PRO 20 1.260 -11.168 8.934
111 H VAL 21 H VAL 21 1.974 -9.165 5.735
112 HA VAL 21 HA VAL 21 3.579 -8.678 3.443
113 HB VAL 21 HB VAL 21 1.756 -7.400 2.584
114 HG11 VAL 21 HG11 VAL 21 -0.151 -8.929 2.943
115 HG12 VAL 21 HG12 VAL 21 1.362 -9.784 2.636
116 HG13 VAL 21 HG13 VAL 21 0.728 -9.674 4.278
117 HG21 VAL 21 HG21 VAL 21 1.148 -5.889 4.233
118 HG22 VAL 21 HG22 VAL 21 -0.238 -6.979 4.187
119 HG23 VAL 21 HG23 VAL 21 0.971 -7.143 5.461
120 H CYS 22 H CYS 22 3.170 -6.086 2.722
121 HA CYS 22 HA CYS 22 4.489 -4.493 4.814
122 HB2 CYS 22 HB2 CYS 22 6.150 -5.304 3.142
123 HB3 CYS 22 HB3 CYS 22 5.241 -4.472 1.884
124 H GLY 23 H GLY 23 4.084 -2.257 4.768
125 HA2 GLY 23 HA2 GLY 23 2.973 -0.580 3.059
126 HA3 GLY 23 HA3 GLY 23 1.574 -1.575 3.435
127 H HIS 24 H HIS 24 0.361 -1.015 5.126
128 HA HIS 24 HA HIS 24 1.546 0.538 7.300
129 HB2 HIS 24 HB2 HIS 24 -0.993 1.417 5.917
130 HB3 HIS 24 HB3 HIS 24 -0.155 2.245 7.226
131 HD1 HIS 24 HD1 HIS 24 1.584 3.919 6.573
132 HD2 HIS 24 HD2 HIS 24 0.472 1.473 3.405
133 HE1 HIS 24 HE1 HIS 24 2.710 4.891 4.546
134 H PHE 25 H PHE 25 -0.657 1.108 8.770
135 HA PHE 25 HA PHE 25 -1.632 -1.572 9.459
136 HB2 PHE 25 HB2 PHE 25 -0.388 -0.161 11.163
137 HB3 PHE 25 HB3 PHE 25 -1.786 0.909 11.171
138 HD1 PHE 25 HD1 PHE 25 -3.897 0.195 12.127
139 HD2 PHE 25 HD2 PHE 25 -0.483 -2.348 12.164
140 HE1 PHE 25 HE1 PHE 25 -4.985 -1.236 13.808
141 HE2 PHE 25 HE2 PHE 25 -1.566 -3.783 13.844
142 HZ PHE 25 HZ PHE 25 -3.820 -3.229 14.667
143 H ARG 26 H ARG 26 -2.687 1.679 8.674
144 HA ARG 26 HA ARG 26 -5.466 1.144 9.177
145 HB2 ARG 26 HB2 ARG 26 -3.927 3.432 8.847
146 HB3 ARG 26 HB3 ARG 26 -4.924 3.386 7.399
147 HG2 ARG 26 HG2 ARG 26 -6.894 3.034 8.994
148 HG3 ARG 26 HG3 ARG 26 -5.784 3.556 10.262
149 HD2 ARG 26 HD2 ARG 26 -5.871 5.701 9.614
150 HD3 ARG 26 HD3 ARG 26 -5.782 5.283 7.904
151 HE ARG 26 HE ARG 26 -8.330 4.711 9.106
152 HH11 ARG 26 HH11 ARG 26 -6.374 7.135 7.552
153 HH12 ARG 26 HH12 ARG 26 -7.729 8.063 7.002
154 HH21 ARG 26 HH21 ARG 26 -10.123 5.924 8.388
155 HH22 ARG 26 HH22 ARG 26 -9.861 7.374 7.479
156 H TRP 27 H TRP 27 -3.576 1.768 6.216
157 HA TRP 27 HA TRP 27 -5.749 0.752 4.580
158 HB2 TRP 27 HB2 TRP 27 -3.022 1.640 3.637
159 HB3 TRP 27 HB3 TRP 27 -4.509 1.536 2.698
160 HD1 TRP 27 HD1 TRP 27 -6.543 3.195 4.213
161 HE1 TRP 27 HE1 TRP 27 -6.223 5.708 4.665
162 HE3 TRP 27 HE3 TRP 27 -1.462 3.469 3.717
163 HZ2 TRP 27 HZ2 TRP 27 -4.099 7.562 4.794
164 HZ3 TRP 27 HZ3 TRP 27 -0.364 5.650 4.019
165 HH2 TRP 27 HH2 TRP 27 -1.656 7.653 4.546
166 H GLY 28 H GLY 28 -2.240 0.090 4.561
167 HA2 GLY 28 HA2 GLY 28 -1.301 -2.082 4.892
168 HA3 GLY 28 HA3 GLY 28 -2.852 -2.782 4.453
169 H VAL 29 H VAL 29 -0.932 -0.315 2.775
170 HA VAL 29 HA VAL 29 -0.341 -2.212 0.635
171 HB VAL 29 HB VAL 29 -1.682 0.431 0.055
172 HG11 VAL 29 HG11 VAL 29 -0.188 -0.251 -1.706
173 HG12 VAL 29 HG12 VAL 29 -0.877 -1.875 -1.714
174 HG13 VAL 29 HG13 VAL 29 -1.852 -0.500 -2.235
175 HG21 VAL 29 HG21 VAL 29 -3.394 -0.877 0.970
176 HG22 VAL 29 HG22 VAL 29 -3.550 -1.116 -0.771
177 HG23 VAL 29 HG23 VAL 29 -2.787 -2.356 0.225
Start of MODEL 19
1 H1 CYS 1 H CYS 1 2.053 0.414 1.223
2 HA CYS 1 HA CYS 1 2.059 1.050 -1.321
3 HB2 CYS 1 HB2 CYS 1 4.326 -0.130 -1.578
4 HB3 CYS 1 HB3 CYS 1 4.166 1.044 -0.277
5 H GLY 2 H GLY 2 2.081 -2.343 -0.274
6 HA2 GLY 2 HA2 GLY 2 0.566 -3.816 -1.587
7 HA3 GLY 2 HA3 GLY 2 1.271 -3.081 -3.019
8 H GLU 3 H GLU 3 3.312 -3.780 -0.313
9 HA GLU 3 HA GLU 3 4.391 -6.110 -1.760
10 HB2 GLU 3 HB2 GLU 3 5.936 -4.066 -0.156
11 HB3 GLU 3 HB3 GLU 3 6.621 -5.480 -0.945
12 HG2 GLU 3 HG2 GLU 3 5.099 -3.485 -2.554
13 HG3 GLU 3 HG3 GLU 3 6.762 -3.147 -2.079
14 H THR 4 H THR 4 6.146 -7.105 0.000
15 HA THR 4 HA THR 4 4.808 -7.400 2.580
16 HB THR 4 HB THR 4 3.788 -9.204 1.432
17 HG1 THR 4 HG1 THR 4 6.062 -10.362 2.695
18 HG21 THR 4 HG21 THR 4 4.745 -9.815 -0.505
19 HG22 THR 4 HG22 THR 4 5.715 -10.914 0.476
20 HG23 THR 4 HG23 THR 4 6.351 -9.330 0.035
21 H CYS 5 H CYS 5 6.237 -7.421 4.189
22 HA CYS 5 HA CYS 5 9.058 -7.940 3.531
23 HB2 CYS 5 HB2 CYS 5 9.551 -6.619 5.600
24 HB3 CYS 5 HB3 CYS 5 8.741 -5.697 4.337
25 H VAL 6 H VAL 6 8.108 -10.259 3.754
26 HA VAL 6 HA VAL 6 7.421 -11.378 6.198
27 HB VAL 6 HB VAL 6 9.072 -12.729 4.060
28 HG11 VAL 6 HG11 VAL 6 7.438 -13.706 6.369
29 HG12 VAL 6 HG12 VAL 6 7.673 -14.718 4.943
30 HG13 VAL 6 HG13 VAL 6 9.066 -14.171 5.877
31 HG21 VAL 6 HG21 VAL 6 7.255 -11.982 2.848
32 HG22 VAL 6 HG22 VAL 6 6.687 -13.555 3.406
33 HG23 VAL 6 HG23 VAL 6 6.158 -12.086 4.225
34 H GLY 7 H GLY 7 10.515 -10.325 5.030
35 HA2 GLY 7 HA2 GLY 7 12.033 -11.791 7.003
36 HA3 GLY 7 HA3 GLY 7 12.657 -10.584 5.888
37 H GLY 8 H GLY 8 10.381 -8.776 6.886
38 HA2 GLY 8 HA2 GLY 8 9.928 -7.506 8.836
39 HA3 GLY 8 HA3 GLY 8 11.380 -8.169 9.573
40 H THR 9 H THR 9 11.335 -6.854 6.333
41 HA THR 9 HA THR 9 12.607 -4.386 7.274
42 HB THR 9 HB THR 9 14.520 -5.716 6.802
43 HG1 THR 9 HG1 THR 9 15.278 -4.071 5.724
44 HG21 THR 9 HG21 THR 9 14.259 -7.529 5.523
45 HG22 THR 9 HG22 THR 9 14.399 -6.461 4.126
46 HG23 THR 9 HG23 THR 9 12.808 -6.870 4.768
47 H CYS 10 H CYS 10 11.231 -2.896 6.529
48 HA CYS 10 HA CYS 10 10.806 -2.711 3.663
49 HB2 CYS 10 HB2 CYS 10 8.842 -3.908 5.194
50 HB3 CYS 10 HB3 CYS 10 8.299 -2.237 5.092
51 H ASN 11 H ASN 11 12.342 -1.169 5.476
52 HA ASN 11 HA ASN 11 10.924 1.198 6.220
53 HB2 ASN 11 HB2 ASN 11 13.910 0.970 5.857
54 HB3 ASN 11 HB3 ASN 11 13.026 2.052 6.929
55 HD21 ASN 11 HD21 ASN 11 14.652 -0.861 6.665
56 HD22 ASN 11 HD22 ASN 11 14.192 -1.552 8.181
57 H THR 12 H THR 12 9.899 1.539 4.098
58 HA THR 12 HA THR 12 11.694 2.943 2.227
59 HB THR 12 HB THR 12 9.333 2.453 0.840
60 HG1 THR 12 HG1 THR 12 10.122 -0.007 1.999
61 HG21 THR 12 HG21 THR 12 11.021 2.046 -0.570
62 HG22 THR 12 HG22 THR 12 11.067 0.416 0.101
63 HG23 THR 12 HG23 THR 12 12.126 1.667 0.751
64 HA PRO 13 HA PRO 13 9.480 6.678 2.888
65 HB2 PRO 13 HB2 PRO 13 9.633 7.821 0.430
66 HB3 PRO 13 HB3 PRO 13 11.020 7.692 1.518
67 HG2 PRO 13 HG2 PRO 13 10.276 5.969 -0.814
68 HG3 PRO 13 HG3 PRO 13 11.867 6.598 -0.351
69 HD2 PRO 13 HD2 PRO 13 11.094 4.058 0.180
70 HD3 PRO 13 HD3 PRO 13 12.189 4.966 1.244
71 H GLY 14 H GLY 14 7.388 5.769 3.266
72 HA2 GLY 14 HA2 GLY 14 5.130 6.427 2.610
73 HA3 GLY 14 HA3 GLY 14 5.582 6.072 0.949
74 H CYS 15 H CYS 15 6.930 3.761 2.915
75 HA CYS 15 HA CYS 15 4.571 2.027 2.887
76 HB2 CYS 15 HB2 CYS 15 5.755 1.591 0.778
77 HB3 CYS 15 HB3 CYS 15 7.238 1.273 1.672
78 H THR 16 H THR 16 4.385 1.683 5.020
79 HA THR 16 HA THR 16 6.754 1.190 6.642
80 HB THR 16 HB THR 16 4.663 0.869 8.361
81 HG1 THR 16 HG1 THR 16 3.086 1.401 6.845
82 HG21 THR 16 HG21 THR 16 6.738 2.564 8.120
83 HG22 THR 16 HG22 THR 16 5.461 2.765 9.320
84 HG23 THR 16 HG23 THR 16 5.406 3.678 7.813
85 H CYS 17 H CYS 17 7.433 -0.769 7.217
86 HA CYS 17 HA CYS 17 6.475 -3.127 6.148
87 HB2 CYS 17 HB2 CYS 17 8.717 -2.793 7.208
88 HB3 CYS 17 HB3 CYS 17 7.935 -2.872 8.783
89 H SER 18 H SER 18 5.022 -4.661 6.735
90 HA SER 18 HA SER 18 3.666 -4.440 9.312
91 HB2 SER 18 HB2 SER 18 2.121 -4.552 6.713
92 HB3 SER 18 HB3 SER 18 1.452 -4.433 8.340
93 HG SER 18 HG SER 18 2.399 -2.377 8.514
94 H TRP 19 H TRP 19 5.407 -6.370 8.902
95 HA TRP 19 HA TRP 19 5.024 -8.650 7.582
96 HB2 TRP 19 HB2 TRP 19 6.686 -8.241 9.443
97 HB3 TRP 19 HB3 TRP 19 5.415 -8.688 10.577
98 HD1 TRP 19 HD1 TRP 19 7.935 -10.174 8.185
99 HE1 TRP 19 HE1 TRP 19 7.875 -12.740 8.371
100 HE3 TRP 19 HE3 TRP 19 3.745 -10.680 11.071
101 HZ2 TRP 19 HZ2 TRP 19 6.264 -14.718 9.581
102 HZ3 TRP 19 HZ3 TRP 19 3.012 -12.944 11.698
103 HH2 TRP 19 HH2 TRP 19 4.247 -14.919 10.967
104 HA PRO 20 HA PRO 20 4.890 -10.803 7.472
105 HB2 PRO 20 HB2 PRO 20 3.311 -12.086 5.675
106 HB3 PRO 20 HB3 PRO 20 3.644 -12.725 7.289
107 HG2 PRO 20 HG2 PRO 20 1.245 -11.231 6.301
108 HG3 PRO 20 HG3 PRO 20 1.320 -12.658 7.351
109 HD2 PRO 20 HD2 PRO 20 0.931 -10.158 8.316
110 HD3 PRO 20 HD3 PRO 20 1.803 -11.408 9.226
111 H VAL 21 H VAL 21 2.029 -9.235 6.068
112 HA VAL 21 HA VAL 21 3.227 -8.655 3.563
113 HB VAL 21 HB VAL 21 1.335 -7.261 3.117
114 HG11 VAL 21 HG11 VAL 21 0.978 -9.719 3.207
115 HG12 VAL 21 HG12 VAL 21 0.376 -9.530 4.856
116 HG13 VAL 21 HG13 VAL 21 -0.483 -8.779 3.510
117 HG21 VAL 21 HG21 VAL 21 -0.336 -6.872 5.033
118 HG22 VAL 21 HG22 VAL 21 1.021 -7.230 6.101
119 HG23 VAL 21 HG23 VAL 21 1.115 -5.871 4.981
120 H CYS 22 H CYS 22 2.778 -6.006 3.075
121 HA CYS 22 HA CYS 22 4.210 -4.424 5.043
122 HB2 CYS 22 HB2 CYS 22 6.083 -5.331 3.855
123 HB3 CYS 22 HB3 CYS 22 5.325 -5.012 2.299
124 H GLY 23 H GLY 23 3.723 -2.277 4.939
125 HA2 GLY 23 HA2 GLY 23 3.087 -0.603 2.972
126 HA3 GLY 23 HA3 GLY 23 1.604 -1.539 3.081
127 H HIS 24 H HIS 24 0.228 -1.252 4.816
128 HA HIS 24 HA HIS 24 0.996 0.569 6.949
129 HB2 HIS 24 HB2 HIS 24 -1.412 1.156 5.219
130 HB3 HIS 24 HB3 HIS 24 -0.835 2.107 6.584
131 HD1 HIS 24 HD1 HIS 24 1.241 3.605 6.191
132 HD2 HIS 24 HD2 HIS 24 -0.046 1.554 2.815
133 HE1 HIS 24 HE1 HIS 24 2.440 4.675 4.257
134 H PHE 25 H PHE 25 -1.405 1.025 8.122
135 HA PHE 25 HA PHE 25 -2.370 -1.696 8.708
136 HB2 PHE 25 HB2 PHE 25 -2.953 0.293 10.754
137 HB3 PHE 25 HB3 PHE 25 -2.172 -1.278 10.906
138 HD1 PHE 25 HD2 PHE 25 -1.655 2.305 10.412
139 HD2 PHE 25 HD1 PHE 25 0.230 -1.490 10.807
140 HE1 PHE 25 HE2 PHE 25 0.506 3.421 10.781
141 HE2 PHE 25 HE1 PHE 25 2.395 -0.381 11.177
142 HZ PHE 25 HZ PHE 25 2.535 2.078 11.163
143 H ARG 26 H ARG 26 -3.301 1.662 8.218
144 HA ARG 26 HA ARG 26 -6.100 1.200 8.598
145 HB2 ARG 26 HB2 ARG 26 -4.392 3.450 8.231
146 HB3 ARG 26 HB3 ARG 26 -5.649 3.521 7.003
147 HG2 ARG 26 HG2 ARG 26 -7.212 3.015 9.064
148 HG3 ARG 26 HG3 ARG 26 -5.863 3.722 9.957
149 HD2 ARG 26 HD2 ARG 26 -6.426 5.777 9.315
150 HD3 ARG 26 HD3 ARG 26 -6.486 5.291 7.621
151 HE ARG 26 HE ARG 26 -8.765 5.147 7.781
152 HH11 ARG 26 HH11 ARG 26 -7.400 5.246 10.982
153 HH12 ARG 26 HH12 ARG 26 -8.934 5.399 11.773
154 HH21 ARG 26 HH21 ARG 26 -10.790 5.348 8.810
155 HH22 ARG 26 HH22 ARG 26 -10.862 5.456 10.537
156 H TRP 27 H TRP 27 -4.071 1.796 5.732
157 HA TRP 27 HA TRP 27 -6.277 0.975 4.004
158 HB2 TRP 27 HB2 TRP 27 -3.538 1.907 3.141
159 HB3 TRP 27 HB3 TRP 27 -5.016 1.869 2.185
160 HD1 TRP 27 HD1 TRP 27 -7.062 3.454 3.727
161 HE1 TRP 27 HE1 TRP 27 -6.735 5.928 4.359
162 HE3 TRP 27 HE3 TRP 27 -1.965 3.701 3.426
163 HZ2 TRP 27 HZ2 TRP 27 -4.598 7.743 4.686
164 HZ3 TRP 27 HZ3 TRP 27 -0.857 5.843 3.913
165 HH2 TRP 27 HH2 TRP 27 -2.148 7.821 4.530
166 H GLY 28 H GLY 28 -2.770 0.308 3.939
167 HA2 GLY 28 HA2 GLY 28 -1.956 -1.969 4.257
168 HA3 GLY 28 HA3 GLY 28 -3.433 -2.534 3.490
169 H VAL 29 H VAL 29 -1.397 0.131 2.397
170 HA VAL 29 HA VAL 29 -0.275 -1.488 0.259
171 HB VAL 29 HB VAL 29 -1.006 0.267 -1.445
172 HG11 VAL 29 HG11 VAL 29 -1.978 -2.140 -0.899
173 HG12 VAL 29 HG12 VAL 29 -3.416 -1.193 -0.513
174 HG13 VAL 29 HG13 VAL 29 -2.700 -1.096 -2.123
175 HG21 VAL 29 HG21 VAL 29 -3.464 0.793 0.033
176 HG22 VAL 29 HG22 VAL 29 -2.039 1.530 0.766
177 HG23 VAL 29 HG23 VAL 29 -2.453 1.888 -0.910
Start of MODEL 20
1 H1 CYS 1 H CYS 1 1.361 -0.881 0.643
2 HA CYS 1 HA CYS 1 2.555 0.108 -1.805
3 HB2 CYS 1 HB2 CYS 1 3.495 -1.110 0.677
4 HB3 CYS 1 HB3 CYS 1 4.299 -1.765 -0.746
5 H GLY 2 H GLY 2 1.057 -2.796 -0.615
6 HA2 GLY 2 HA2 GLY 2 0.271 -4.608 -1.821
7 HA3 GLY 2 HA3 GLY 2 0.944 -3.885 -3.275
8 H GLU 3 H GLU 3 3.039 -4.266 -0.567
9 HA GLU 3 HA GLU 3 4.294 -6.581 -1.892
10 HB2 GLU 3 HB2 GLU 3 5.688 -4.445 -0.272
11 HB3 GLU 3 HB3 GLU 3 6.451 -5.766 -1.144
12 HG2 GLU 3 HG2 GLU 3 5.950 -4.824 -3.232
13 HG3 GLU 3 HG3 GLU 3 4.785 -3.699 -2.536
14 H THR 4 H THR 4 6.088 -7.370 -0.056
15 HA THR 4 HA THR 4 4.733 -7.684 2.508
16 HB THR 4 HB THR 4 3.825 -9.589 1.477
17 HG1 THR 4 HG1 THR 4 5.250 -11.342 2.395
18 HG21 THR 4 HG21 THR 4 4.751 -10.061 -0.529
19 HG22 THR 4 HG22 THR 4 5.723 -11.199 0.403
20 HG23 THR 4 HG23 THR 4 6.372 -9.611 -0.001
21 H CYS 5 H CYS 5 6.134 -7.653 4.151
22 HA CYS 5 HA CYS 5 8.991 -7.995 3.526
23 HB2 CYS 5 HB2 CYS 5 9.371 -6.603 5.583
24 HB3 CYS 5 HB3 CYS 5 8.563 -5.756 4.268
25 H VAL 6 H VAL 6 8.053 -10.355 3.818
26 HA VAL 6 HA VAL 6 7.440 -11.444 6.274
27 HB VAL 6 HB VAL 6 9.178 -12.744 4.172
28 HG11 VAL 6 HG11 VAL 6 8.049 -14.825 5.097
29 HG12 VAL 6 HG12 VAL 6 9.275 -14.068 6.117
30 HG13 VAL 6 HG13 VAL 6 7.563 -13.825 6.465
31 HG21 VAL 6 HG21 VAL 6 7.322 -12.230 2.935
32 HG22 VAL 6 HG22 VAL 6 6.803 -13.762 3.638
33 HG23 VAL 6 HG23 VAL 6 6.249 -12.240 4.334
34 H GLY 7 H GLY 7 10.596 -10.571 4.975
35 HA2 GLY 7 HA2 GLY 7 12.151 -11.814 6.993
36 HA3 GLY 7 HA3 GLY 7 12.685 -10.518 5.932
37 H GLY 8 H GLY 8 10.490 -8.743 6.834
38 HA2 GLY 8 HA2 GLY 8 9.858 -7.624 8.861
39 HA3 GLY 8 HA3 GLY 8 11.319 -8.247 9.614
40 H THR 9 H THR 9 11.104 -6.708 6.450
41 HA THR 9 HA THR 9 12.237 -4.235 7.477
42 HB THR 9 HB THR 9 14.079 -4.348 5.711
43 HG1 THR 9 HG1 THR 9 13.266 -7.070 5.813
44 HG21 THR 9 HG21 THR 9 14.546 -4.500 8.102
45 HG22 THR 9 HG22 THR 9 15.597 -5.587 7.195
46 HG23 THR 9 HG23 THR 9 14.208 -6.229 8.070
47 H CYS 10 H CYS 10 10.887 -2.801 6.608
48 HA CYS 10 HA CYS 10 10.635 -2.675 3.719
49 HB2 CYS 10 HB2 CYS 10 8.637 -3.953 5.130
50 HB3 CYS 10 HB3 CYS 10 8.022 -2.310 4.989
51 H ASN 11 H ASN 11 11.837 -1.092 5.898
52 HA ASN 11 HA ASN 11 10.257 1.249 6.293
53 HB2 ASN 11 HB2 ASN 11 12.465 2.234 7.064
54 HB3 ASN 11 HB3 ASN 11 11.929 0.794 7.925
55 HD21 ASN 11 HD21 ASN 11 14.429 2.243 6.217
56 HD22 ASN 11 HD22 ASN 11 15.454 0.862 6.044
57 H THR 12 H THR 12 9.618 1.710 4.106
58 HA THR 12 HA THR 12 11.744 2.846 2.421
59 HB THR 12 HB THR 12 9.558 2.889 0.814
60 HG1 THR 12 HG1 THR 12 9.307 0.460 2.267
61 HG21 THR 12 HG21 THR 12 10.432 0.714 -0.103
62 HG22 THR 12 HG22 THR 12 11.530 0.654 1.276
63 HG23 THR 12 HG23 THR 12 11.648 1.973 0.112
64 HA PRO 13 HA PRO 13 10.321 6.965 2.944
65 HB2 PRO 13 HB2 PRO 13 10.645 7.998 0.454
66 HB3 PRO 13 HB3 PRO 13 12.003 7.618 1.520
67 HG2 PRO 13 HG2 PRO 13 10.876 6.027 -0.752
68 HG3 PRO 13 HG3 PRO 13 12.572 6.334 -0.333
69 HD2 PRO 13 HD2 PRO 13 11.317 4.014 0.279
70 HD3 PRO 13 HD3 PRO 13 12.594 4.706 1.299
71 H GLY 14 H GLY 14 8.087 6.319 3.348
72 HA2 GLY 14 HA2 GLY 14 5.997 7.483 2.705
73 HA3 GLY 14 HA3 GLY 14 6.328 6.963 1.059
74 H CYS 15 H CYS 15 7.245 4.518 3.097
75 HA CYS 15 HA CYS 15 4.593 3.309 3.285
76 HB2 CYS 15 HB2 CYS 15 6.525 2.615 1.276
77 HB3 CYS 15 HB3 CYS 15 6.299 1.250 2.364
78 H THR 16 H THR 16 4.500 1.487 4.710
79 HA THR 16 HA THR 16 6.833 1.231 6.490
80 HB THR 16 HB THR 16 5.020 0.815 8.316
81 HG1 THR 16 HG1 THR 16 3.207 0.923 6.948
82 HG21 THR 16 HG21 THR 16 6.660 2.819 7.930
83 HG22 THR 16 HG22 THR 16 5.335 2.972 9.084
84 HG23 THR 16 HG23 THR 16 5.189 3.679 7.476
85 H CYS 17 H CYS 17 6.955 -0.778 7.676
86 HA CYS 17 HA CYS 17 6.178 -3.020 6.052
87 HB2 CYS 17 HB2 CYS 17 8.379 -2.928 7.164
88 HB3 CYS 17 HB3 CYS 17 7.580 -2.958 8.732
89 H SER 18 H SER 18 4.790 -4.691 6.587
90 HA SER 18 HA SER 18 3.222 -4.460 9.043
91 HB2 SER 18 HB2 SER 18 2.078 -4.392 6.250
92 HB3 SER 18 HB3 SER 18 1.115 -4.842 7.657
93 HG SER 18 HG SER 18 2.367 -2.368 7.100
94 H TRP 19 H TRP 19 5.067 -6.332 8.824
95 HA TRP 19 HA TRP 19 4.825 -8.664 7.534
96 HB2 TRP 19 HB2 TRP 19 6.402 -8.121 9.444
97 HB3 TRP 19 HB3 TRP 19 5.113 -8.613 10.539
98 HD1 TRP 19 HD1 TRP 19 7.769 -10.012 8.231
99 HE1 TRP 19 HE1 TRP 19 7.842 -12.573 8.479
100 HE3 TRP 19 HE3 TRP 19 3.564 -10.673 11.063
101 HZ2 TRP 19 HZ2 TRP 19 6.318 -14.604 9.712
102 HZ3 TRP 19 HZ3 TRP 19 2.942 -12.957 11.734
103 HH2 TRP 19 HH2 TRP 19 4.291 -14.881 11.071
104 HA PRO 20 HA PRO 20 4.776 -10.825 7.495
105 HB2 PRO 20 HB2 PRO 20 3.305 -12.226 5.693
106 HB3 PRO 20 HB3 PRO 20 3.608 -12.798 7.338
107 HG2 PRO 20 HG2 PRO 20 1.190 -11.430 6.223
108 HG3 PRO 20 HG3 PRO 20 1.283 -12.817 7.323
109 HD2 PRO 20 HD2 PRO 20 0.770 -10.303 8.188
110 HD3 PRO 20 HD3 PRO 20 1.657 -11.488 9.169
111 H VAL 21 H VAL 21 1.921 -9.357 5.989
112 HA VAL 21 HA VAL 21 3.127 -8.853 3.475
113 HB VAL 21 HB VAL 21 1.241 -7.469 2.981
114 HG11 VAL 21 HG11 VAL 21 -0.519 -8.993 3.281
115 HG12 VAL 21 HG12 VAL 21 0.943 -9.982 3.296
116 HG13 VAL 21 HG13 VAL 21 0.135 -9.578 4.811
117 HG21 VAL 21 HG21 VAL 21 1.202 -6.081 4.954
118 HG22 VAL 21 HG22 VAL 21 -0.387 -6.813 4.728
119 HG23 VAL 21 HG23 VAL 21 0.712 -7.451 5.951
120 H CYS 22 H CYS 22 2.708 -6.227 2.889
121 HA CYS 22 HA CYS 22 4.152 -4.593 4.810
122 HB2 CYS 22 HB2 CYS 22 6.012 -5.529 3.633
123 HB3 CYS 22 HB3 CYS 22 5.235 -5.269 2.074
124 H GLY 23 H GLY 23 3.719 -2.429 4.624
125 HA2 GLY 23 HA2 GLY 23 3.041 -0.832 2.605
126 HA3 GLY 23 HA3 GLY 23 1.548 -1.736 2.810
127 H HIS 24 H HIS 24 0.270 -1.391 4.626
128 HA HIS 24 HA HIS 24 1.138 0.522 6.630
129 HB2 HIS 24 HB2 HIS 24 -1.293 1.076 4.917
130 HB3 HIS 24 HB3 HIS 24 -0.732 2.049 6.274
131 HD1 HIS 24 HD1 HIS 24 1.376 3.519 5.885
132 HD2 HIS 24 HD2 HIS 24 0.060 1.475 2.516
133 HE1 HIS 24 HE1 HIS 24 2.580 4.574 3.945
134 H PHE 25 H PHE 25 -1.190 1.067 7.888
135 HA PHE 25 HA PHE 25 -2.196 -1.607 8.607
136 HB2 PHE 25 HB2 PHE 25 -2.639 0.445 10.619
137 HB3 PHE 25 HB3 PHE 25 -1.865 -1.129 10.775
138 HD1 PHE 25 HD2 PHE 25 0.536 -1.369 10.495
139 HD2 PHE 25 HD1 PHE 25 -1.353 2.436 10.223
140 HE1 PHE 25 HE2 PHE 25 2.725 -0.270 10.725
141 HE2 PHE 25 HE1 PHE 25 0.834 3.541 10.452
142 HZ PHE 25 HZ PHE 25 2.876 2.188 10.705
143 H ARG 26 H ARG 26 -3.062 1.767 8.082
144 HA ARG 26 HA ARG 26 -5.858 1.361 8.573
145 HB2 ARG 26 HB2 ARG 26 -4.098 3.592 7.941
146 HB3 ARG 26 HB3 ARG 26 -5.617 3.679 7.059
147 HG2 ARG 26 HG2 ARG 26 -5.600 3.174 10.006
148 HG3 ARG 26 HG3 ARG 26 -5.435 4.811 9.366
149 HD2 ARG 26 HD2 ARG 26 -7.537 4.551 8.149
150 HD3 ARG 26 HD3 ARG 26 -7.695 2.906 8.764
151 HE ARG 26 HE ARG 26 -8.381 5.307 10.124
152 HH11 ARG 26 HH11 ARG 26 -7.129 2.095 10.613
153 HH12 ARG 26 HH12 ARG 26 -7.691 1.984 12.248
154 HH21 ARG 26 HH21 ARG 26 -9.126 5.172 12.276
155 HH22 ARG 26 HH22 ARG 26 -8.828 3.734 13.192
156 H TRP 27 H TRP 27 -4.016 2.136 5.615
157 HA TRP 27 HA TRP 27 -6.260 1.306 3.971
158 HB2 TRP 27 HB2 TRP 27 -3.526 2.194 3.042
159 HB3 TRP 27 HB3 TRP 27 -5.022 2.172 2.112
160 HD1 TRP 27 HD1 TRP 27 -7.021 3.762 3.732
161 HE1 TRP 27 HE1 TRP 27 -6.661 6.235 4.348
162 HE3 TRP 27 HE3 TRP 27 -1.937 3.987 3.247
163 HZ2 TRP 27 HZ2 TRP 27 -4.507 8.042 4.595
164 HZ3 TRP 27 HZ3 TRP 27 -0.804 6.126 3.690
165 HH2 TRP 27 HH2 TRP 27 -2.064 8.110 4.350
166 H GLY 28 H GLY 28 -2.777 0.546 3.771
167 HA2 GLY 28 HA2 GLY 28 -1.874 -1.654 3.889
168 HA3 GLY 28 HA3 GLY 28 -3.468 -2.296 3.524
169 H VAL 29 H VAL 29 -1.202 -0.016 1.973
170 HA VAL 29 HA VAL 29 -1.140 -1.716 -0.394
171 HB VAL 29 HB VAL 29 -1.541 0.316 -1.860
172 HG11 VAL 29 HG11 VAL 29 -4.047 -0.259 -0.366
173 HG12 VAL 29 HG12 VAL 29 -3.744 -0.243 -2.104
174 HG13 VAL 29 HG13 VAL 29 -3.198 -1.605 -1.124
175 HG21 VAL 29 HG21 VAL 29 -1.547 1.654 0.559
176 HG22 VAL 29 HG22 VAL 29 -2.068 2.305 -0.996
177 HG23 VAL 29 HG23 VAL 29 -3.251 1.598 0.105
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