Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640867 | 6ee9 RC | 30507 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 16.506 -0.634 7.445
2 H2 PHE 1 HT2 PHE 1 15.021 -1.101 6.783
3 H3 PHE 1 HT3 PHE 1 15.512 0.516 6.703
4 HA PHE 1 HA PHE 1 16.846 -1.762 5.360
5 HB2 PHE 1 HB2 PHE 1 15.046 0.428 4.306
6 HB3 PHE 1 HB1 PHE 1 16.055 -0.575 3.270
7 HD1 PHE 1 HD1 PHE 1 13.088 -0.474 5.397
8 HD2 PHE 1 HD2 PHE 1 15.526 -2.908 2.897
9 HE1 PHE 1 HE1 PHE 1 11.304 -2.166 5.313
10 HE2 PHE 1 HE2 PHE 1 13.746 -4.604 2.809
11 HZ PHE 1 HZ PHE 1 11.633 -4.235 4.016
12 H GLY 2 HN GLY 2 18.650 -1.247 4.120
13 HA2 GLY 2 HA2 GLY 2 19.706 1.485 4.292
14 HA3 GLY 2 HA1 GLY 2 20.674 0.179 4.957
15 H VAL 3 HN VAL 3 21.497 1.910 2.884
16 HA VAL 3 HA VAL 3 21.808 -0.024 0.690
17 HB VAL 3 HB VAL 3 21.992 1.985 -0.884
18 HG11 VAL 3 HG11 VAL 3 19.317 1.296 0.324
19 HG12 VAL 3 HG12 VAL 3 20.149 0.416 -0.959
20 HG13 VAL 3 HG13 VAL 3 19.567 2.057 -1.248
21 HG21 VAL 3 HG21 VAL 3 20.471 3.360 1.342
22 HG22 VAL 3 HG22 VAL 3 20.727 3.993 -0.285
23 HG23 VAL 3 HG23 VAL 3 22.100 3.768 0.799
24 H ARG 4 HN ARG 4 23.833 -0.589 0.399
25 HA ARG 4 HA ARG 4 25.975 1.320 1.081
26 HB2 ARG 4 HB2 ARG 4 25.840 -1.660 1.518
27 HB3 ARG 4 HB1 ARG 4 27.363 -0.782 1.526
28 HG2 ARG 4 HG2 ARG 4 26.560 0.593 3.383
29 HG3 ARG 4 HG1 ARG 4 25.035 -0.295 3.375
30 HD2 ARG 4 HD2 ARG 4 26.239 -2.365 3.875
31 HD3 ARG 4 HD1 ARG 4 27.762 -1.478 3.881
32 HE ARG 4 HE ARG 4 26.016 -0.275 5.714
33 HH11 ARG 4 HH11 ARG 4 27.982 -3.500 7.079
34 HH12 ARG 4 HH12 ARG 4 27.831 -3.261 5.371
35 HH21 ARG 4 HH21 ARG 4 26.225 -0.609 7.946
36 HH22 ARG 4 HH22 ARG 4 27.073 -1.999 8.535
37 H VAL 5 HN VAL 5 27.592 1.615 -0.358
38 HA VAL 5 HA VAL 5 27.767 -0.131 -2.699
39 HB VAL 5 HB VAL 5 28.064 1.944 -4.165
40 HG11 VAL 5 HG11 VAL 5 25.653 2.132 -4.575
41 HG12 VAL 5 HG12 VAL 5 25.340 1.302 -3.050
42 HG13 VAL 5 HG13 VAL 5 26.164 0.457 -4.360
43 HG21 VAL 5 HG21 VAL 5 26.837 3.963 -3.482
44 HG22 VAL 5 HG22 VAL 5 28.207 3.648 -2.417
45 HG23 VAL 5 HG23 VAL 5 26.571 3.259 -1.888
46 H GLY 6 HN GLY 6 29.775 -0.776 -2.951
47 HA2 GLY 6 HA2 GLY 6 31.996 1.074 -2.755
48 HA3 GLY 6 HA1 GLY 6 31.979 -0.174 -1.519
49 H THR 7 HN THR 7 34.049 0.130 -3.370
50 HA THR 7 HA THR 7 33.685 -2.035 -5.310
51 HB THR 7 HB THR 7 35.984 -1.307 -6.121
52 HG1 THR 7 HG1 THR 7 36.947 0.123 -4.908
53 HG21 THR 7 HG21 THR 7 33.936 -0.688 -7.302
54 HG22 THR 7 HG22 THR 7 35.110 0.628 -7.349
55 HG23 THR 7 HG23 THR 7 33.738 0.709 -6.242
56 H CYS 8 HN CYS 8 35.822 -1.051 -2.665
57 HA CYS 8 HA CYS 8 36.908 -3.784 -2.562
58 HB2 CYS 8 HB2 CYS 8 38.793 -2.784 -1.276
59 HB3 CYS 8 HB1 CYS 8 38.640 -2.127 -2.907
60 HA PRO 9 HA PRO 9 34.837 -4.530 1.316
61 HB2 PRO 9 HB2 PRO 9 36.651 -6.142 2.599
62 HB3 PRO 9 HB1 PRO 9 35.593 -6.703 1.287
63 HG2 PRO 9 HG2 PRO 9 38.452 -5.869 1.177
64 HG3 PRO 9 HG1 PRO 9 37.645 -7.244 0.388
65 HD2 PRO 9 HD2 PRO 9 38.222 -4.991 -0.955
66 HD3 PRO 9 HD1 PRO 9 36.754 -5.929 -1.291
67 H SER 10 HN SER 10 35.027 -4.288 3.677
68 HA SER 10 HA SER 10 36.112 -1.809 4.432
69 HB2 SER 10 HB2 SER 10 34.148 -2.958 5.499
70 HB3 SER 10 HB1 SER 10 35.286 -4.042 6.298
71 HG SER 10 HG SER 10 34.574 -2.105 7.500
72 H GLY 11 HN GLY 11 37.903 -1.189 5.525
73 HA2 GLY 11 HA2 GLY 11 39.821 -1.561 6.909
74 HA3 GLY 11 HA1 GLY 11 39.839 -3.240 6.376
75 H TYR 12 HN TYR 12 39.527 -0.368 4.349
76 HA TYR 12 HA TYR 12 42.217 -0.819 3.252
77 HB2 TYR 12 HB2 TYR 12 39.606 -0.940 1.845
78 HB3 TYR 12 HB1 TYR 12 40.903 -0.077 1.012
79 HD1 TYR 12 HD1 TYR 12 42.843 -1.240 0.198
80 HD2 TYR 12 HD2 TYR 12 39.779 -3.342 2.262
81 HE1 TYR 12 HE1 TYR 12 43.796 -3.368 -0.574
82 HE2 TYR 12 HE2 TYR 12 40.720 -5.482 1.493
83 HH TYR 12 HH TYR 12 43.796 -5.738 0.091
84 H VAL 13 HN VAL 13 43.005 1.046 1.931
85 HA VAL 13 HA VAL 13 42.130 3.559 3.179
86 HB VAL 13 HB VAL 13 44.712 2.982 1.686
87 HG11 VAL 13 HG11 VAL 13 43.903 5.421 3.277
88 HG12 VAL 13 HG12 VAL 13 44.098 5.342 1.525
89 HG13 VAL 13 HG13 VAL 13 45.497 5.129 2.578
90 HG21 VAL 13 HG21 VAL 13 45.778 3.119 3.900
91 HG22 VAL 13 HG22 VAL 13 44.627 1.783 3.795
92 HG23 VAL 13 HG23 VAL 13 44.185 3.265 4.644
93 H ARG 14 HN ARG 14 40.534 4.434 2.015
94 HA ARG 14 HA ARG 14 40.664 4.443 -0.917
95 HB2 ARG 14 HB2 ARG 14 38.405 5.259 0.913
96 HB3 ARG 14 HB1 ARG 14 38.313 5.106 -0.839
97 HG2 ARG 14 HG2 ARG 14 38.687 2.695 -0.664
98 HG3 ARG 14 HG1 ARG 14 38.785 2.838 1.096
99 HD2 ARG 14 HD2 ARG 14 36.376 3.710 -0.485
100 HD3 ARG 14 HD1 ARG 14 36.561 2.074 0.144
101 HE ARG 14 HE ARG 14 36.962 3.824 2.268
102 HH11 ARG 14 HH11 ARG 14 34.318 2.946 0.129
103 HH12 ARG 14 HH12 ARG 14 33.097 3.313 1.302
104 HH21 ARG 14 HH21 ARG 14 33.681 4.077 3.370
105 HH22 ARG 14 HH22 ARG 14 35.348 4.296 3.786
106 H ARG 15 HN ARG 15 41.985 6.114 -1.486
107 HA ARG 15 HA ARG 15 41.024 8.805 -0.934
108 HB2 ARG 15 HB2 ARG 15 43.817 7.896 -0.206
109 HB3 ARG 15 HB1 ARG 15 43.364 9.587 -0.373
110 HG2 ARG 15 HG2 ARG 15 41.687 7.931 1.431
111 HG3 ARG 15 HG1 ARG 15 43.335 8.297 1.972
112 HD2 ARG 15 HD2 ARG 15 42.899 10.694 1.638
113 HD3 ARG 15 HD1 ARG 15 41.255 10.316 1.125
114 HE ARG 15 HE ARG 15 41.545 9.175 3.615
115 HH11 ARG 15 HH11 ARG 15 41.732 12.436 2.324
116 HH12 ARG 15 HH12 ARG 15 41.216 13.174 3.805
117 HH21 ARG 15 HH21 ARG 15 40.872 10.162 5.542
118 HH22 ARG 15 HH22 ARG 15 40.728 11.887 5.624
119 H GLY 16 HN GLY 16 41.227 10.116 -2.658
120 HA2 GLY 16 HA2 GLY 16 41.995 10.959 -4.679
121 HA3 GLY 16 HA1 GLY 16 43.263 9.736 -4.675
122 H THR 17 HN THR 17 39.847 9.034 -4.338
123 HA THR 17 HA THR 17 38.340 7.835 -5.499
124 HB THR 17 HB THR 17 38.204 8.024 -7.957
125 HG1 THR 17 HG1 THR 17 40.720 9.290 -7.646
126 HG21 THR 17 HG21 THR 17 37.218 9.771 -6.571
127 HG22 THR 17 HG22 THR 17 37.865 10.452 -8.063
128 HG23 THR 17 HG23 THR 17 38.753 10.639 -6.553
129 H PHE 18 HN PHE 18 41.053 6.623 -4.822
130 HA PHE 18 HA PHE 18 40.611 4.150 -6.323
131 HB2 PHE 18 HB2 PHE 18 43.014 3.760 -6.623
132 HB3 PHE 18 HB1 PHE 18 42.506 5.227 -7.442
133 HD1 PHE 18 HD1 PHE 18 44.411 3.870 -4.604
134 HD2 PHE 18 HD2 PHE 18 43.382 7.362 -6.806
135 HE1 PHE 18 HE1 PHE 18 46.222 5.103 -3.488
136 HE2 PHE 18 HE2 PHE 18 45.190 8.603 -5.692
137 HZ PHE 18 HZ PHE 18 46.615 7.473 -4.030
138 H CYS 19 HN CYS 19 41.052 2.248 -5.234
139 HA CYS 19 HA CYS 19 41.544 2.536 -2.341
140 HB2 CYS 19 HB2 CYS 19 39.264 1.742 -2.950
141 HB3 CYS 19 HB1 CYS 19 39.991 0.356 -3.763
142 H PHE 20 HN PHE 20 43.398 1.708 -1.622
143 HA PHE 20 HA PHE 20 44.598 -0.532 -3.088
144 HB2 PHE 20 HB2 PHE 20 46.821 0.432 -2.835
145 HB3 PHE 20 HB1 PHE 20 45.766 1.586 -3.648
146 HD1 PHE 20 HD1 PHE 20 47.894 0.962 -0.822
147 HD2 PHE 20 HD2 PHE 20 44.858 3.536 -2.331
148 HE1 PHE 20 HE1 PHE 20 48.496 2.651 0.859
149 HE2 PHE 20 HE2 PHE 20 45.457 5.229 -0.650
150 HZ PHE 20 HZ PHE 20 47.275 4.782 0.950
151 HA PRO 21 HA PRO 21 45.129 -2.341 0.980
152 HB2 PRO 21 HB2 PRO 21 47.480 -3.863 0.338
153 HB3 PRO 21 HB1 PRO 21 45.795 -4.420 0.348
154 HG2 PRO 21 HG2 PRO 21 47.337 -4.216 -1.906
155 HG3 PRO 21 HG1 PRO 21 45.564 -4.169 -1.893
156 HD2 PRO 21 HD2 PRO 21 47.514 -1.901 -2.058
157 HD3 PRO 21 HD1 PRO 21 45.980 -2.143 -2.922
158 H ASP 22 HN ASP 22 45.952 -1.770 2.838
159 HA ASP 22 HA ASP 22 48.730 -1.215 3.295
160 HB2 ASP 22 HB2 ASP 22 47.855 0.932 2.260
161 HB3 ASP 22 HB1 ASP 22 46.802 1.093 3.663
162 H ASP 23 HN ASP 23 45.452 -0.577 4.564
163 HA ASP 23 HA ASP 23 46.289 -1.245 7.270
164 HB2 ASP 23 HB2 ASP 23 44.729 0.701 6.583
165 HB3 ASP 23 HB1 ASP 23 43.488 -0.533 6.414
166 H ASP 24 HN ASP 24 45.249 -2.958 4.610
167 HA ASP 24 HA ASP 24 43.674 -4.918 6.104
168 HB2 ASP 24 HB2 ASP 24 43.147 -3.997 3.707
169 HB3 ASP 24 HB1 ASP 24 44.346 -5.177 3.188
170 H TYR 25 HN TYR 25 46.689 -4.680 4.244
171 HA TYR 25 HA TYR 25 47.520 -7.284 5.348
172 HB2 TYR 25 HB2 TYR 25 48.251 -5.953 2.737
173 HB3 TYR 25 HB1 TYR 25 49.135 -7.328 3.388
174 HD1 TYR 25 HD1 TYR 25 45.997 -6.218 1.861
175 HD2 TYR 25 HD2 TYR 25 48.138 -9.545 3.425
176 HE1 TYR 25 HE1 TYR 25 44.379 -7.744 0.812
177 HE2 TYR 25 HE2 TYR 25 46.527 -11.080 2.380
178 HH TYR 25 HH TYR 25 44.206 -11.046 1.576
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 21.115 -6.056 -14.144
2 H2 PHE 1 HT2 PHE 1 19.646 -5.404 -13.615
3 H3 PHE 1 HT3 PHE 1 19.865 -7.081 -13.643
4 HA PHE 1 HA PHE 1 20.020 -6.228 -11.398
5 HB2 PHE 1 HB2 PHE 1 22.586 -7.271 -12.612
6 HB3 PHE 1 HB1 PHE 1 22.317 -7.138 -10.878
7 HD1 PHE 1 HD1 PHE 1 21.450 -8.949 -13.928
8 HD2 PHE 1 HD2 PHE 1 20.788 -8.629 -9.736
9 HE1 PHE 1 HE1 PHE 1 20.394 -11.171 -13.930
10 HE2 PHE 1 HE2 PHE 1 19.732 -10.851 -9.730
11 HZ PHE 1 HZ PHE 1 19.534 -12.125 -11.829
12 H GLY 2 HN GLY 2 20.964 -4.871 -9.879
13 HA2 GLY 2 HA2 GLY 2 22.920 -2.893 -10.781
14 HA3 GLY 2 HA1 GLY 2 21.353 -2.289 -10.267
15 H VAL 3 HN VAL 3 24.057 -1.875 -9.154
16 HA VAL 3 HA VAL 3 23.410 -2.552 -6.382
17 HB VAL 3 HB VAL 3 25.896 -2.993 -5.958
18 HG11 VAL 3 HG11 VAL 3 24.205 -4.718 -5.790
19 HG12 VAL 3 HG12 VAL 3 25.675 -5.372 -6.512
20 HG13 VAL 3 HG13 VAL 3 24.285 -4.998 -7.529
21 HG21 VAL 3 HG21 VAL 3 25.885 -3.529 -8.936
22 HG22 VAL 3 HG22 VAL 3 27.179 -3.962 -7.818
23 HG23 VAL 3 HG23 VAL 3 26.799 -2.265 -8.111
24 H ARG 4 HN ARG 4 23.754 -0.955 -4.970
25 HA ARG 4 HA ARG 4 25.375 1.358 -5.807
26 HB2 ARG 4 HB2 ARG 4 22.611 1.366 -4.600
27 HB3 ARG 4 HB1 ARG 4 23.660 2.775 -4.555
28 HG2 ARG 4 HG2 ARG 4 23.731 2.802 -7.000
29 HG3 ARG 4 HG1 ARG 4 22.682 1.385 -7.044
30 HD2 ARG 4 HD2 ARG 4 21.896 3.958 -5.693
31 HD3 ARG 4 HD1 ARG 4 21.566 3.638 -7.394
32 HE ARG 4 HE ARG 4 20.567 1.477 -5.976
33 HH11 ARG 4 HH11 ARG 4 18.250 4.748 -5.704
34 HH12 ARG 4 HH12 ARG 4 19.918 4.926 -6.139
35 HH21 ARG 4 HH21 ARG 4 18.382 1.269 -5.408
36 HH22 ARG 4 HH22 ARG 4 17.384 2.680 -5.291
37 H VAL 5 HN VAL 5 26.588 2.340 -4.253
38 HA VAL 5 HA VAL 5 27.783 2.644 -2.347
39 HB VAL 5 HB VAL 5 25.516 1.409 -0.757
40 HG11 VAL 5 HG11 VAL 5 26.267 2.874 1.033
41 HG12 VAL 5 HG12 VAL 5 27.517 3.545 -0.012
42 HG13 VAL 5 HG13 VAL 5 27.595 1.854 0.481
43 HG21 VAL 5 HG21 VAL 5 24.565 3.111 -2.239
44 HG22 VAL 5 HG22 VAL 5 25.747 4.284 -1.654
45 HG23 VAL 5 HG23 VAL 5 24.529 3.635 -0.555
46 H GLY 6 HN GLY 6 29.518 1.541 -1.783
47 HA2 GLY 6 HA2 GLY 6 30.629 -0.229 -0.634
48 HA3 GLY 6 HA1 GLY 6 29.273 -1.282 -1.002
49 H THR 7 HN THR 7 32.169 0.227 -2.260
50 HA THR 7 HA THR 7 32.096 -1.583 -4.580
51 HB THR 7 HB THR 7 33.851 -0.019 -5.553
52 HG1 THR 7 HG1 THR 7 34.134 1.938 -4.602
53 HG21 THR 7 HG21 THR 7 32.190 1.620 -6.318
54 HG22 THR 7 HG22 THR 7 31.087 1.092 -5.047
55 HG23 THR 7 HG23 THR 7 31.538 -0.019 -6.341
56 H CYS 8 HN CYS 8 34.335 -0.128 -2.235
57 HA CYS 8 HA CYS 8 36.303 -2.206 -2.746
58 HB2 CYS 8 HB2 CYS 8 36.458 0.217 -0.939
59 HB3 CYS 8 HB1 CYS 8 37.790 -0.828 -1.412
60 HA PRO 9 HA PRO 9 35.206 -4.621 0.855
61 HB2 PRO 9 HB2 PRO 9 37.651 -5.611 1.601
62 HB3 PRO 9 HB1 PRO 9 36.725 -6.228 0.215
63 HG2 PRO 9 HG2 PRO 9 39.009 -4.315 0.259
64 HG3 PRO 9 HG1 PRO 9 38.685 -5.663 -0.855
65 HD2 PRO 9 HD2 PRO 9 38.182 -3.106 -1.532
66 HD3 PRO 9 HD1 PRO 9 37.165 -4.447 -2.096
67 H SER 10 HN SER 10 35.599 -4.873 3.186
68 HA SER 10 HA SER 10 36.042 -2.323 4.449
69 HB2 SER 10 HB2 SER 10 35.371 -5.023 5.643
70 HB3 SER 10 HB1 SER 10 35.364 -3.492 6.519
71 HG SER 10 HG SER 10 33.787 -2.797 4.893
72 H GLY 11 HN GLY 11 37.776 -1.620 5.504
73 HA2 GLY 11 HA2 GLY 11 39.692 -1.816 6.884
74 HA3 GLY 11 HA1 GLY 11 39.830 -3.509 6.413
75 H TYR 12 HN TYR 12 39.472 -0.661 4.338
76 HA TYR 12 HA TYR 12 42.197 -1.070 3.307
77 HB2 TYR 12 HB2 TYR 12 39.642 -1.332 1.868
78 HB3 TYR 12 HB1 TYR 12 40.817 -0.282 1.070
79 HD1 TYR 12 HD1 TYR 12 42.862 -1.153 0.179
80 HD2 TYR 12 HD2 TYR 12 40.123 -3.716 2.180
81 HE1 TYR 12 HE1 TYR 12 44.066 -3.104 -0.694
82 HE2 TYR 12 HE2 TYR 12 41.313 -5.683 1.306
83 HH TYR 12 HH TYR 12 44.378 -5.482 -0.140
84 H VAL 13 HN VAL 13 42.901 0.828 1.884
85 HA VAL 13 HA VAL 13 42.008 3.298 3.206
86 HB VAL 13 HB VAL 13 44.137 4.330 2.273
87 HG11 VAL 13 HG11 VAL 13 44.371 2.116 4.300
88 HG12 VAL 13 HG12 VAL 13 43.858 3.774 4.613
89 HG13 VAL 13 HG13 VAL 13 45.511 3.445 4.093
90 HG21 VAL 13 HG21 VAL 13 45.961 2.967 1.617
91 HG22 VAL 13 HG22 VAL 13 44.591 2.455 0.634
92 HG23 VAL 13 HG23 VAL 13 45.099 1.485 2.017
93 H ARG 14 HN ARG 14 40.472 4.307 2.109
94 HA ARG 14 HA ARG 14 40.501 4.301 -0.825
95 HB2 ARG 14 HB2 ARG 14 38.341 5.278 1.042
96 HB3 ARG 14 HB1 ARG 14 38.192 5.019 -0.695
97 HG2 ARG 14 HG2 ARG 14 38.427 2.622 -0.393
98 HG3 ARG 14 HG1 ARG 14 38.656 2.846 1.346
99 HD2 ARG 14 HD2 ARG 14 36.408 3.824 1.498
100 HD3 ARG 14 HD1 ARG 14 36.183 3.556 -0.230
101 HE ARG 14 HE ARG 14 36.798 1.090 0.726
102 HH11 ARG 14 HH11 ARG 14 34.342 3.444 1.601
103 HH12 ARG 14 HH12 ARG 14 33.214 2.241 2.131
104 HH21 ARG 14 HH21 ARG 14 33.761 0.030 2.031
105 HH22 ARG 14 HH22 ARG 14 35.307 -0.466 1.426
106 H ARG 15 HN ARG 15 41.879 5.906 -1.454
107 HA ARG 15 HA ARG 15 41.054 8.642 -0.919
108 HB2 ARG 15 HB2 ARG 15 43.794 7.605 -0.178
109 HB3 ARG 15 HB1 ARG 15 43.459 9.314 -0.424
110 HG2 ARG 15 HG2 ARG 15 42.022 9.412 1.434
111 HG3 ARG 15 HG1 ARG 15 41.898 7.650 1.537
112 HD2 ARG 15 HD2 ARG 15 44.262 7.532 2.174
113 HD3 ARG 15 HD1 ARG 15 44.390 9.287 2.054
114 HE ARG 15 HE ARG 15 42.321 8.595 3.845
115 HH11 ARG 15 HH11 ARG 15 45.829 8.623 3.669
116 HH12 ARG 15 HH12 ARG 15 46.028 8.789 5.381
117 HH21 ARG 15 HH21 ARG 15 42.607 8.813 6.084
118 HH22 ARG 15 HH22 ARG 15 44.206 8.897 6.747
119 H GLY 16 HN GLY 16 41.330 9.946 -2.641
120 HA2 GLY 16 HA2 GLY 16 42.124 10.735 -4.673
121 HA3 GLY 16 HA1 GLY 16 43.309 9.433 -4.683
122 H THR 17 HN THR 17 39.981 8.626 -4.200
123 HA THR 17 HA THR 17 38.378 7.581 -5.415
124 HB THR 17 HB THR 17 39.650 8.186 -8.062
125 HG1 THR 17 HG1 THR 17 39.589 10.065 -6.367
126 HG21 THR 17 HG21 THR 17 36.807 8.336 -7.039
127 HG22 THR 17 HG22 THR 17 37.497 7.019 -7.989
128 HG23 THR 17 HG23 THR 17 37.319 8.622 -8.704
129 H PHE 18 HN PHE 18 41.102 6.350 -4.774
130 HA PHE 18 HA PHE 18 40.638 3.873 -6.253
131 HB2 PHE 18 HB2 PHE 18 43.061 3.523 -6.633
132 HB3 PHE 18 HB1 PHE 18 42.438 4.908 -7.513
133 HD1 PHE 18 HD1 PHE 18 43.185 7.140 -7.002
134 HD2 PHE 18 HD2 PHE 18 44.590 3.812 -4.757
135 HE1 PHE 18 HE1 PHE 18 44.978 8.537 -6.060
136 HE2 PHE 18 HE2 PHE 18 46.384 5.202 -3.808
137 HZ PHE 18 HZ PHE 18 46.579 7.569 -4.459
138 H CYS 19 HN CYS 19 40.876 2.050 -5.080
139 HA CYS 19 HA CYS 19 41.629 2.373 -2.255
140 HB2 CYS 19 HB2 CYS 19 39.999 0.192 -3.586
141 HB3 CYS 19 HB1 CYS 19 40.339 0.311 -1.858
142 H PHE 20 HN PHE 20 43.513 1.578 -1.600
143 HA PHE 20 HA PHE 20 44.635 -0.740 -3.001
144 HB2 PHE 20 HB2 PHE 20 46.855 0.224 -3.017
145 HB3 PHE 20 HB1 PHE 20 45.745 1.361 -3.777
146 HD1 PHE 20 HD1 PHE 20 48.100 0.799 -1.116
147 HD2 PHE 20 HD2 PHE 20 45.033 3.403 -2.501
148 HE1 PHE 20 HE1 PHE 20 48.904 2.551 0.412
149 HE2 PHE 20 HE2 PHE 20 45.831 5.161 -0.975
150 HZ PHE 20 HZ PHE 20 47.765 4.729 0.490
151 HA PRO 21 HA PRO 21 45.440 -2.298 1.121
152 HB2 PRO 21 HB2 PRO 21 47.930 -3.612 0.467
153 HB3 PRO 21 HB1 PRO 21 46.320 -4.338 0.649
154 HG2 PRO 21 HG2 PRO 21 47.650 -4.207 -1.719
155 HG3 PRO 21 HG1 PRO 21 45.881 -4.251 -1.581
156 HD2 PRO 21 HD2 PRO 21 47.680 -1.899 -2.041
157 HD3 PRO 21 HD1 PRO 21 46.118 -2.294 -2.794
158 H ASP 22 HN ASP 22 46.209 -1.476 2.908
159 HA ASP 22 HA ASP 22 48.940 -0.705 3.307
160 HB2 ASP 22 HB2 ASP 22 47.939 1.282 2.078
161 HB3 ASP 22 HB1 ASP 22 46.878 1.510 3.467
162 H ASP 23 HN ASP 23 45.626 -0.155 4.509
163 HA ASP 23 HA ASP 23 46.487 -0.528 7.263
164 HB2 ASP 23 HB2 ASP 23 44.838 1.271 6.385
165 HB3 ASP 23 HB1 ASP 23 43.655 -0.036 6.366
166 H ASP 24 HN ASP 24 45.574 -2.530 4.776
167 HA ASP 24 HA ASP 24 44.066 -4.413 6.430
168 HB2 ASP 24 HB2 ASP 24 43.555 -3.745 3.937
169 HB3 ASP 24 HB1 ASP 24 44.791 -4.944 3.570
170 H TYR 25 HN TYR 25 47.084 -4.226 4.567
171 HA TYR 25 HA TYR 25 48.100 -6.525 6.097
172 HB2 TYR 25 HB2 TYR 25 48.465 -5.944 3.154
173 HB3 TYR 25 HB1 TYR 25 49.490 -7.070 4.039
174 HD1 TYR 25 HD1 TYR 25 46.204 -6.514 2.565
175 HD2 TYR 25 HD2 TYR 25 48.565 -9.187 4.883
176 HE1 TYR 25 HE1 TYR 25 44.564 -8.302 2.164
177 HE2 TYR 25 HE2 TYR 25 46.934 -10.982 4.488
178 HH TYR 25 HH TYR 25 44.484 -10.759 2.153
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 27.707 12.643 -2.814
2 H2 PHE 1 HT2 PHE 1 26.075 12.420 -3.193
3 H3 PHE 1 HT3 PHE 1 26.997 13.541 -4.061
4 HA PHE 1 HA PHE 1 28.359 11.795 -4.970
5 HB2 PHE 1 HB2 PHE 1 26.543 10.024 -3.327
6 HB3 PHE 1 HB1 PHE 1 27.571 9.420 -4.620
7 HD1 PHE 1 HD1 PHE 1 27.480 10.779 -1.230
8 HD2 PHE 1 HD2 PHE 1 29.973 9.314 -4.353
9 HE1 PHE 1 HE1 PHE 1 29.345 10.569 0.361
10 HE2 PHE 1 HE2 PHE 1 31.841 9.102 -2.767
11 HZ PHE 1 HZ PHE 1 31.530 9.729 -0.406
12 H GLY 2 HN GLY 2 27.867 11.181 -7.024
13 HA2 GLY 2 HA2 GLY 2 25.060 11.553 -7.850
14 HA3 GLY 2 HA1 GLY 2 26.457 11.854 -8.874
15 H VAL 3 HN VAL 3 27.933 9.738 -8.933
16 HA VAL 3 HA VAL 3 26.226 7.387 -9.342
17 HB VAL 3 HB VAL 3 27.600 6.863 -11.435
18 HG11 VAL 3 HG11 VAL 3 25.248 7.447 -11.508
19 HG12 VAL 3 HG12 VAL 3 26.104 8.163 -12.873
20 HG13 VAL 3 HG13 VAL 3 25.653 9.164 -11.492
21 HG21 VAL 3 HG21 VAL 3 28.462 8.783 -12.702
22 HG22 VAL 3 HG22 VAL 3 29.347 8.559 -11.193
23 HG23 VAL 3 HG23 VAL 3 28.139 9.838 -11.325
24 H ARG 4 HN ARG 4 27.200 5.392 -9.079
25 HA ARG 4 HA ARG 4 29.899 5.446 -7.891
26 HB2 ARG 4 HB2 ARG 4 27.490 3.763 -7.219
27 HB3 ARG 4 HB1 ARG 4 29.111 3.325 -6.701
28 HG2 ARG 4 HG2 ARG 4 29.295 5.426 -5.472
29 HG3 ARG 4 HG1 ARG 4 27.675 5.880 -6.003
30 HD2 ARG 4 HD2 ARG 4 26.756 3.925 -4.850
31 HD3 ARG 4 HD1 ARG 4 28.376 3.475 -4.322
32 HE ARG 4 HE ARG 4 27.891 6.088 -3.471
33 HH11 ARG 4 HH11 ARG 4 26.232 3.252 -1.160
34 HH12 ARG 4 HH12 ARG 4 26.677 2.864 -2.790
35 HH21 ARG 4 HH21 ARG 4 27.301 6.572 -1.337
36 HH22 ARG 4 HH22 ARG 4 26.585 5.349 -0.340
37 H VAL 5 HN VAL 5 31.406 4.023 -8.584
38 HA VAL 5 HA VAL 5 30.635 1.916 -10.459
39 HB VAL 5 HB VAL 5 32.655 2.518 -11.907
40 HG11 VAL 5 HG11 VAL 5 30.247 4.330 -11.900
41 HG12 VAL 5 HG12 VAL 5 30.370 2.748 -12.672
42 HG13 VAL 5 HG13 VAL 5 31.349 4.094 -13.257
43 HG21 VAL 5 HG21 VAL 5 33.224 4.932 -12.000
44 HG22 VAL 5 HG22 VAL 5 33.745 4.162 -10.502
45 HG23 VAL 5 HG23 VAL 5 32.304 5.180 -10.516
46 H GLY 6 HN GLY 6 33.157 3.333 -8.444
47 HA2 GLY 6 HA2 GLY 6 34.552 0.741 -8.357
48 HA3 GLY 6 HA1 GLY 6 35.249 2.288 -7.900
49 H THR 7 HN THR 7 34.356 -0.535 -6.663
50 HA THR 7 HA THR 7 33.815 0.623 -4.028
51 HB THR 7 HB THR 7 31.617 -0.037 -4.783
52 HG1 THR 7 HG1 THR 7 32.194 -2.193 -3.105
53 HG21 THR 7 HG21 THR 7 32.196 -1.678 -6.504
54 HG22 THR 7 HG22 THR 7 31.037 -2.357 -5.359
55 HG23 THR 7 HG23 THR 7 32.741 -2.807 -5.261
56 H CYS 8 HN CYS 8 34.910 -0.284 -2.390
57 HA CYS 8 HA CYS 8 36.346 -2.805 -2.889
58 HB2 CYS 8 HB2 CYS 8 38.265 -1.871 -1.606
59 HB3 CYS 8 HB1 CYS 8 37.954 -1.012 -3.115
60 HA PRO 9 HA PRO 9 34.643 -4.233 0.977
61 HB2 PRO 9 HB2 PRO 9 36.665 -5.840 1.908
62 HB3 PRO 9 HB1 PRO 9 35.556 -6.311 0.602
63 HG2 PRO 9 HG2 PRO 9 38.326 -5.225 0.423
64 HG3 PRO 9 HG1 PRO 9 37.572 -6.553 -0.491
65 HD2 PRO 9 HD2 PRO 9 37.864 -4.111 -1.560
66 HD3 PRO 9 HD1 PRO 9 36.445 -5.115 -1.910
67 H SER 10 HN SER 10 34.983 -4.292 3.328
68 HA SER 10 HA SER 10 36.089 -1.855 4.302
69 HB2 SER 10 HB2 SER 10 35.005 -4.244 5.811
70 HB3 SER 10 HB1 SER 10 35.355 -2.667 6.519
71 HG SER 10 HG SER 10 33.364 -3.361 4.644
72 H GLY 11 HN GLY 11 37.849 -1.457 5.580
73 HA2 GLY 11 HA2 GLY 11 39.730 -2.057 6.910
74 HA3 GLY 11 HA1 GLY 11 39.677 -3.671 6.206
75 H TYR 12 HN TYR 12 39.465 -0.718 4.330
76 HA TYR 12 HA TYR 12 42.225 -1.054 3.372
77 HB2 TYR 12 HB2 TYR 12 39.742 -1.422 1.854
78 HB3 TYR 12 HB1 TYR 12 40.853 -0.271 1.106
79 HD1 TYR 12 HD1 TYR 12 42.986 -0.987 0.243
80 HD2 TYR 12 HD2 TYR 12 40.353 -3.771 2.086
81 HE1 TYR 12 HE1 TYR 12 44.314 -2.838 -0.675
82 HE2 TYR 12 HE2 TYR 12 41.672 -5.635 1.171
83 HH TYR 12 HH TYR 12 44.748 -5.213 -0.195
84 H VAL 13 HN VAL 13 42.960 0.880 2.063
85 HA VAL 13 HA VAL 13 41.933 3.323 3.338
86 HB VAL 13 HB VAL 13 44.552 2.954 1.845
87 HG11 VAL 13 HG11 VAL 13 43.787 5.278 1.838
88 HG12 VAL 13 HG12 VAL 13 45.205 5.085 2.867
89 HG13 VAL 13 HG13 VAL 13 43.604 5.231 3.592
90 HG21 VAL 13 HG21 VAL 13 44.700 1.632 3.809
91 HG22 VAL 13 HG22 VAL 13 43.931 2.879 4.790
92 HG23 VAL 13 HG23 VAL 13 45.554 3.137 4.151
93 H ARG 14 HN ARG 14 40.452 4.371 2.186
94 HA ARG 14 HA ARG 14 40.480 4.236 -0.745
95 HB2 ARG 14 HB2 ARG 14 38.347 5.319 1.094
96 HB3 ARG 14 HB1 ARG 14 38.189 5.044 -0.641
97 HG2 ARG 14 HG2 ARG 14 38.389 2.636 -0.300
98 HG3 ARG 14 HG1 ARG 14 38.577 2.894 1.441
99 HD2 ARG 14 HD2 ARG 14 36.344 3.930 1.502
100 HD3 ARG 14 HD1 ARG 14 36.161 3.606 -0.220
101 HE ARG 14 HE ARG 14 36.741 1.181 0.971
102 HH11 ARG 14 HH11 ARG 14 34.162 3.553 1.199
103 HH12 ARG 14 HH12 ARG 14 32.964 2.379 1.634
104 HH21 ARG 14 HH21 ARG 14 33.530 0.179 1.829
105 HH22 ARG 14 HH22 ARG 14 35.157 -0.338 1.544
106 H ARG 15 HN ARG 15 41.895 5.775 -1.439
107 HA ARG 15 HA ARG 15 41.131 8.551 -1.052
108 HB2 ARG 15 HB2 ARG 15 43.843 7.499 -0.230
109 HB3 ARG 15 HB1 ARG 15 43.542 9.198 -0.565
110 HG2 ARG 15 HG2 ARG 15 42.090 9.414 1.275
111 HG3 ARG 15 HG1 ARG 15 41.940 7.662 1.468
112 HD2 ARG 15 HD2 ARG 15 44.299 7.546 2.124
113 HD3 ARG 15 HD1 ARG 15 44.450 9.290 1.918
114 HE ARG 15 HE ARG 15 42.363 8.737 3.724
115 HH11 ARG 15 HH11 ARG 15 45.871 8.625 3.583
116 HH12 ARG 15 HH12 ARG 15 46.060 8.855 5.289
117 HH21 ARG 15 HH21 ARG 15 42.636 9.037 5.953
118 HH22 ARG 15 HH22 ARG 15 44.230 9.088 6.630
119 H GLY 16 HN GLY 16 41.484 9.766 -2.829
120 HA2 GLY 16 HA2 GLY 16 42.331 10.422 -4.888
121 HA3 GLY 16 HA1 GLY 16 43.461 9.072 -4.820
122 H THR 17 HN THR 17 39.936 8.978 -4.590
123 HA THR 17 HA THR 17 38.303 7.901 -5.711
124 HB THR 17 HB THR 17 38.320 7.934 -8.197
125 HG1 THR 17 HG1 THR 17 40.563 9.521 -8.352
126 HG21 THR 17 HG21 THR 17 39.104 10.534 -6.876
127 HG22 THR 17 HG22 THR 17 37.480 9.853 -6.947
128 HG23 THR 17 HG23 THR 17 38.282 10.374 -8.428
129 H PHE 18 HN PHE 18 40.780 6.301 -4.885
130 HA PHE 18 HA PHE 18 39.832 3.790 -5.926
131 HB2 PHE 18 HB2 PHE 18 42.194 3.024 -6.578
132 HB3 PHE 18 HB1 PHE 18 41.337 4.044 -7.716
133 HD1 PHE 18 HD1 PHE 18 43.729 4.437 -4.846
134 HD2 PHE 18 HD2 PHE 18 42.559 5.677 -8.751
135 HE1 PHE 18 HE1 PHE 18 45.675 5.937 -4.952
136 HE2 PHE 18 HE2 PHE 18 44.501 7.181 -8.855
137 HZ PHE 18 HZ PHE 18 46.062 7.312 -6.956
138 H CYS 19 HN CYS 19 40.531 1.970 -4.751
139 HA CYS 19 HA CYS 19 41.523 2.630 -2.068
140 HB2 CYS 19 HB2 CYS 19 40.256 0.039 -2.976
141 HB3 CYS 19 HB1 CYS 19 40.494 0.597 -1.319
142 H PHE 20 HN PHE 20 43.429 1.875 -1.313
143 HA PHE 20 HA PHE 20 44.841 -0.135 -2.915
144 HB2 PHE 20 HB2 PHE 20 46.940 1.068 -2.673
145 HB3 PHE 20 HB1 PHE 20 45.733 2.141 -3.381
146 HD1 PHE 20 HD1 PHE 20 47.996 1.580 -0.640
147 HD2 PHE 20 HD2 PHE 20 44.679 3.908 -1.942
148 HE1 PHE 20 HE1 PHE 20 48.459 3.221 1.131
149 HE2 PHE 20 HE2 PHE 20 45.139 5.556 -0.172
150 HZ PHE 20 HZ PHE 20 47.028 5.206 1.370
151 HA PRO 21 HA PRO 21 45.671 -2.094 1.039
152 HB2 PRO 21 HB2 PRO 21 48.240 -3.173 0.232
153 HB3 PRO 21 HB1 PRO 21 46.683 -4.017 0.369
154 HG2 PRO 21 HG2 PRO 21 47.926 -3.593 -1.997
155 HG3 PRO 21 HG1 PRO 21 46.162 -3.702 -1.825
156 HD2 PRO 21 HD2 PRO 21 47.884 -1.254 -2.044
157 HD3 PRO 21 HD1 PRO 21 46.347 -1.630 -2.853
158 H ASP 22 HN ASP 22 46.505 -1.609 2.927
159 HA ASP 22 HA ASP 22 49.144 -0.674 3.420
160 HB2 ASP 22 HB2 ASP 22 47.957 1.396 2.455
161 HB3 ASP 22 HB1 ASP 22 47.000 1.397 3.935
162 H ASP 23 HN ASP 23 45.796 -0.537 4.631
163 HA ASP 23 HA ASP 23 46.608 -1.060 7.356
164 HB2 ASP 23 HB2 ASP 23 44.688 0.470 6.579
165 HB3 ASP 23 HB1 ASP 23 43.777 -1.011 6.307
166 H ASP 24 HN ASP 24 45.324 -2.832 4.615
167 HA ASP 24 HA ASP 24 45.635 -5.334 6.093
168 HB2 ASP 24 HB2 ASP 24 43.095 -4.494 4.689
169 HB3 ASP 24 HB1 ASP 24 43.471 -6.180 5.033
170 H TYR 25 HN TYR 25 47.111 -6.400 4.941
171 HA TYR 25 HA TYR 25 47.123 -6.159 2.017
172 HB2 TYR 25 HB2 TYR 25 49.234 -7.083 3.973
173 HB3 TYR 25 HB1 TYR 25 49.406 -7.246 2.230
174 HD1 TYR 25 HD1 TYR 25 49.353 -4.904 5.043
175 HD2 TYR 25 HD2 TYR 25 49.769 -5.290 0.827
176 HE1 TYR 25 HE1 TYR 25 50.247 -2.617 4.928
177 HE2 TYR 25 HE2 TYR 25 50.664 -3.005 0.701
178 HH TYR 25 HH TYR 25 51.660 -1.264 3.433
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 24.857 -9.838 -0.526
2 H2 PHE 1 HT2 PHE 1 26.256 -8.891 -0.443
3 H3 PHE 1 HT3 PHE 1 25.229 -9.001 0.897
4 HA PHE 1 HA PHE 1 25.726 -11.327 1.153
5 HB2 PHE 1 HB2 PHE 1 27.484 -10.849 -1.257
6 HB3 PHE 1 HB1 PHE 1 27.632 -12.263 -0.220
7 HD1 PHE 1 HD1 PHE 1 25.599 -10.578 -2.745
8 HD2 PHE 1 HD2 PHE 1 25.947 -13.999 -0.238
9 HE1 PHE 1 HE1 PHE 1 23.864 -11.717 -4.066
10 HE2 PHE 1 HE2 PHE 1 24.213 -15.146 -1.555
11 HZ PHE 1 HZ PHE 1 23.170 -14.005 -3.473
12 H GLY 2 HN GLY 2 27.988 -8.737 0.284
13 HA2 GLY 2 HA2 GLY 2 29.404 -9.230 2.832
14 HA3 GLY 2 HA1 GLY 2 30.272 -8.849 1.352
15 H VAL 3 HN VAL 3 29.050 -6.792 0.253
16 HA VAL 3 HA VAL 3 28.714 -4.744 2.331
17 HB VAL 3 HB VAL 3 29.995 -3.134 0.810
18 HG11 VAL 3 HG11 VAL 3 32.155 -3.759 1.787
19 HG12 VAL 3 HG12 VAL 3 31.492 -5.335 2.220
20 HG13 VAL 3 HG13 VAL 3 30.839 -3.872 2.956
21 HG21 VAL 3 HG21 VAL 3 31.099 -5.720 -0.306
22 HG22 VAL 3 HG22 VAL 3 31.758 -4.109 -0.597
23 HG23 VAL 3 HG23 VAL 3 30.151 -4.527 -1.195
24 H ARG 4 HN ARG 4 27.525 -2.887 1.725
25 HA ARG 4 HA ARG 4 25.618 -3.417 -0.426
26 HB2 ARG 4 HB2 ARG 4 24.324 -1.495 0.685
27 HB3 ARG 4 HB1 ARG 4 24.416 -3.025 1.538
28 HG2 ARG 4 HG2 ARG 4 26.098 -2.143 3.030
29 HG3 ARG 4 HG1 ARG 4 26.164 -0.638 2.118
30 HD2 ARG 4 HD2 ARG 4 23.831 -0.183 2.695
31 HD3 ARG 4 HD1 ARG 4 23.759 -1.696 3.596
32 HE ARG 4 HE ARG 4 25.876 -0.134 4.585
33 HH11 ARG 4 HH11 ARG 4 22.242 0.711 6.073
34 HH12 ARG 4 HH12 ARG 4 22.365 -0.150 4.575
35 HH21 ARG 4 HH21 ARG 4 25.692 0.990 6.545
36 HH22 ARG 4 HH22 ARG 4 24.125 1.356 7.186
37 H VAL 5 HN VAL 5 27.754 -0.847 0.738
38 HA VAL 5 HA VAL 5 27.739 0.293 -1.968
39 HB VAL 5 HB VAL 5 27.978 2.605 -0.923
40 HG11 VAL 5 HG11 VAL 5 25.550 2.912 -0.745
41 HG12 VAL 5 HG12 VAL 5 25.343 1.162 -0.681
42 HG13 VAL 5 HG13 VAL 5 25.998 1.921 -2.133
43 HG21 VAL 5 HG21 VAL 5 26.504 1.493 1.443
44 HG22 VAL 5 HG22 VAL 5 27.293 3.059 1.259
45 HG23 VAL 5 HG23 VAL 5 28.264 1.599 1.448
46 H GLY 6 HN GLY 6 29.693 0.316 -2.796
47 HA2 GLY 6 HA2 GLY 6 31.960 1.477 -2.178
48 HA3 GLY 6 HA1 GLY 6 32.024 0.156 -1.022
49 H THR 7 HN THR 7 33.983 0.534 -2.944
50 HA THR 7 HA THR 7 33.471 -1.473 -5.018
51 HB THR 7 HB THR 7 35.753 -0.739 -5.880
52 HG1 THR 7 HG1 THR 7 36.216 1.502 -5.080
53 HG21 THR 7 HG21 THR 7 33.669 0.011 -6.916
54 HG22 THR 7 HG22 THR 7 34.871 1.300 -6.922
55 HG23 THR 7 HG23 THR 7 33.554 1.329 -5.750
56 H CYS 8 HN CYS 8 35.749 -0.743 -2.411
57 HA CYS 8 HA CYS 8 36.765 -3.502 -2.560
58 HB2 CYS 8 HB2 CYS 8 38.733 -2.634 -1.289
59 HB3 CYS 8 HB1 CYS 8 38.531 -1.883 -2.874
60 HA PRO 9 HA PRO 9 34.879 -4.523 1.348
61 HB2 PRO 9 HB2 PRO 9 36.805 -6.132 2.481
62 HB3 PRO 9 HB1 PRO 9 35.691 -6.669 1.206
63 HG2 PRO 9 HG2 PRO 9 38.514 -5.740 0.975
64 HG3 PRO 9 HG1 PRO 9 37.708 -7.113 0.179
65 HD2 PRO 9 HD2 PRO 9 38.133 -4.819 -1.125
66 HD3 PRO 9 HD1 PRO 9 36.648 -5.757 -1.377
67 H SER 10 HN SER 10 35.150 -4.399 3.708
68 HA SER 10 HA SER 10 36.196 -1.922 4.545
69 HB2 SER 10 HB2 SER 10 34.277 -3.153 5.602
70 HB3 SER 10 HB1 SER 10 35.451 -4.250 6.327
71 HG SER 10 HG SER 10 35.818 -1.504 6.686
72 H GLY 11 HN GLY 11 37.995 -1.323 5.642
73 HA2 GLY 11 HA2 GLY 11 39.951 -1.709 6.954
74 HA3 GLY 11 HA1 GLY 11 39.979 -3.369 6.367
75 H TYR 12 HN TYR 12 39.531 -0.529 4.344
76 HA TYR 12 HA TYR 12 42.238 -0.856 3.241
77 HB2 TYR 12 HB2 TYR 12 39.621 -1.050 1.844
78 HB3 TYR 12 HB1 TYR 12 40.906 -0.174 1.007
79 HD1 TYR 12 HD1 TYR 12 39.807 -3.442 2.259
80 HD2 TYR 12 HD2 TYR 12 42.881 -1.321 0.224
81 HE1 TYR 12 HE1 TYR 12 40.775 -5.575 1.505
82 HE2 TYR 12 HE2 TYR 12 43.857 -3.441 -0.532
83 HH TYR 12 HH TYR 12 43.868 -5.811 0.138
84 H VAL 13 HN VAL 13 42.996 1.028 1.994
85 HA VAL 13 HA VAL 13 41.983 3.513 3.195
86 HB VAL 13 HB VAL 13 44.644 3.024 1.814
87 HG11 VAL 13 HG11 VAL 13 45.316 5.197 2.739
88 HG12 VAL 13 HG12 VAL 13 43.687 5.431 3.371
89 HG13 VAL 13 HG13 VAL 13 43.956 5.362 1.630
90 HG21 VAL 13 HG21 VAL 13 44.484 1.822 3.931
91 HG22 VAL 13 HG22 VAL 13 44.012 3.311 4.750
92 HG23 VAL 13 HG23 VAL 13 45.624 3.163 4.051
93 H ARG 14 HN ARG 14 40.416 4.340 1.960
94 HA ARG 14 HA ARG 14 40.666 4.333 -0.966
95 HB2 ARG 14 HB2 ARG 14 38.315 5.090 0.771
96 HB3 ARG 14 HB1 ARG 14 38.296 4.942 -0.986
97 HG2 ARG 14 HG2 ARG 14 38.740 2.538 -0.793
98 HG3 ARG 14 HG1 ARG 14 38.743 2.685 0.969
99 HD2 ARG 14 HD2 ARG 14 36.395 3.489 -0.737
100 HD3 ARG 14 HD1 ARG 14 36.595 1.856 -0.103
101 HE ARG 14 HE ARG 14 36.834 3.588 2.052
102 HH11 ARG 14 HH11 ARG 14 34.329 2.718 -0.252
103 HH12 ARG 14 HH12 ARG 14 33.037 3.061 0.850
104 HH21 ARG 14 HH21 ARG 14 33.489 3.801 2.958
105 HH22 ARG 14 HH22 ARG 14 35.126 4.028 3.476
106 H ARG 15 HN ARG 15 41.966 6.038 -1.492
107 HA ARG 15 HA ARG 15 40.906 8.703 -1.013
108 HB2 ARG 15 HB2 ARG 15 43.680 7.882 -0.127
109 HB3 ARG 15 HB1 ARG 15 43.194 9.557 -0.344
110 HG2 ARG 15 HG2 ARG 15 41.481 7.868 1.401
111 HG3 ARG 15 HG1 ARG 15 43.079 8.323 2.018
112 HD2 ARG 15 HD2 ARG 15 42.554 10.687 1.618
113 HD3 ARG 15 HD1 ARG 15 40.964 10.228 1.008
114 HE ARG 15 HE ARG 15 41.272 9.170 3.584
115 HH11 ARG 15 HH11 ARG 15 40.912 12.312 2.058
116 HH12 ARG 15 HH12 ARG 15 40.166 13.029 3.447
117 HH21 ARG 15 HH21 ARG 15 40.293 10.128 5.390
118 HH22 ARG 15 HH22 ARG 15 39.816 11.792 5.331
119 H GLY 16 HN GLY 16 41.240 10.068 -2.683
120 HA2 GLY 16 HA2 GLY 16 42.109 10.923 -4.657
121 HA3 GLY 16 HA1 GLY 16 43.350 9.674 -4.618
122 H THR 17 HN THR 17 39.905 9.046 -4.444
123 HA THR 17 HA THR 17 38.421 7.913 -5.699
124 HB THR 17 HB THR 17 38.407 8.131 -8.152
125 HG1 THR 17 HG1 THR 17 40.926 9.388 -7.742
126 HG21 THR 17 HG21 THR 17 38.173 10.571 -8.258
127 HG22 THR 17 HG22 THR 17 39.002 10.715 -6.708
128 HG23 THR 17 HG23 THR 17 37.436 9.910 -6.798
129 H PHE 18 HN PHE 18 41.062 6.610 -4.902
130 HA PHE 18 HA PHE 18 40.559 4.130 -6.354
131 HB2 PHE 18 HB2 PHE 18 43.020 3.669 -6.573
132 HB3 PHE 18 HB1 PHE 18 42.416 4.934 -7.625
133 HD1 PHE 18 HD1 PHE 18 44.165 4.446 -4.357
134 HD2 PHE 18 HD2 PHE 18 43.536 6.953 -7.740
135 HE1 PHE 18 HE1 PHE 18 45.960 5.938 -3.582
136 HE2 PHE 18 HE2 PHE 18 45.326 8.449 -6.966
137 HZ PHE 18 HZ PHE 18 46.542 7.943 -4.886
138 H CYS 19 HN CYS 19 40.964 2.257 -5.224
139 HA CYS 19 HA CYS 19 41.537 2.612 -2.355
140 HB2 CYS 19 HB2 CYS 19 39.257 1.774 -2.947
141 HB3 CYS 19 HB1 CYS 19 40.009 0.363 -3.693
142 H PHE 20 HN PHE 20 43.374 1.772 -1.600
143 HA PHE 20 HA PHE 20 44.617 -0.438 -3.080
144 HB2 PHE 20 HB2 PHE 20 46.825 0.553 -2.770
145 HB3 PHE 20 HB1 PHE 20 45.766 1.701 -3.588
146 HD1 PHE 20 HD1 PHE 20 44.786 3.607 -2.245
147 HD2 PHE 20 HD2 PHE 20 47.870 1.085 -0.746
148 HE1 PHE 20 HE1 PHE 20 45.323 5.287 -0.529
149 HE2 PHE 20 HE2 PHE 20 48.414 2.763 0.967
150 HZ PHE 20 HZ PHE 20 47.136 4.858 1.083
151 HA PRO 21 HA PRO 21 45.129 -2.302 0.970
152 HB2 PRO 21 HB2 PRO 21 47.522 -3.762 0.337
153 HB3 PRO 21 HB1 PRO 21 45.848 -4.355 0.317
154 HG2 PRO 21 HG2 PRO 21 47.413 -4.089 -1.914
155 HG3 PRO 21 HG1 PRO 21 45.639 -4.074 -1.922
156 HD2 PRO 21 HD2 PRO 21 47.548 -1.768 -2.024
157 HD3 PRO 21 HD1 PRO 21 46.032 -2.025 -2.916
158 H ASP 22 HN ASP 22 45.907 -1.715 2.843
159 HA ASP 22 HA ASP 22 48.672 -1.099 3.332
160 HB2 ASP 22 HB2 ASP 22 47.744 1.036 2.332
161 HB3 ASP 22 HB1 ASP 22 46.662 1.135 3.717
162 H ASP 23 HN ASP 23 45.373 -0.580 4.599
163 HA ASP 23 HA ASP 23 46.219 -1.282 7.292
164 HB2 ASP 23 HB2 ASP 23 44.620 0.645 6.637
165 HB3 ASP 23 HB1 ASP 23 43.405 -0.613 6.446
166 H ASP 24 HN ASP 24 45.183 -2.945 4.586
167 HA ASP 24 HA ASP 24 43.714 -4.997 6.077
168 HB2 ASP 24 HB2 ASP 24 43.016 -3.990 3.760
169 HB3 ASP 24 HB1 ASP 24 44.210 -5.114 3.119
170 H TYR 25 HN TYR 25 46.600 -4.590 4.053
171 HA TYR 25 HA TYR 25 47.483 -7.304 4.725
172 HB2 TYR 25 HB2 TYR 25 47.467 -6.314 2.316
173 HB3 TYR 25 HB1 TYR 25 48.918 -5.461 2.828
174 HD1 TYR 25 HD1 TYR 25 47.476 -8.731 2.022
175 HD2 TYR 25 HD2 TYR 25 50.991 -6.665 3.236
176 HE1 TYR 25 HE1 TYR 25 48.823 -10.718 1.485
177 HE2 TYR 25 HE2 TYR 25 52.347 -8.645 2.701
178 HH TYR 25 HH TYR 25 52.049 -11.073 2.470
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 38.220 11.145 -19.466
2 H2 PHE 1 HT2 PHE 1 38.521 9.554 -19.955
3 H3 PHE 1 HT3 PHE 1 38.323 9.911 -18.313
4 HA PHE 1 HA PHE 1 36.036 10.525 -18.669
5 HB2 PHE 1 HB2 PHE 1 36.670 9.797 -21.534
6 HB3 PHE 1 HB1 PHE 1 35.030 9.963 -20.918
7 HD1 PHE 1 HD1 PHE 1 38.088 11.729 -21.854
8 HD2 PHE 1 HD2 PHE 1 34.125 12.138 -20.361
9 HE1 PHE 1 HE1 PHE 1 38.170 14.145 -22.311
10 HE2 PHE 1 HE2 PHE 1 34.199 14.555 -20.815
11 HZ PHE 1 HZ PHE 1 36.224 15.560 -21.791
12 H GLY 2 HN GLY 2 34.553 9.000 -18.118
13 HA2 GLY 2 HA2 GLY 2 33.785 6.638 -18.678
14 HA3 GLY 2 HA1 GLY 2 35.445 6.192 -18.308
15 H VAL 3 HN VAL 3 32.936 5.328 -17.064
16 HA VAL 3 HA VAL 3 33.641 5.971 -14.293
17 HB VAL 3 HB VAL 3 31.149 5.911 -13.716
18 HG11 VAL 3 HG11 VAL 3 30.883 8.310 -14.148
19 HG12 VAL 3 HG12 VAL 3 32.251 8.252 -15.260
20 HG13 VAL 3 HG13 VAL 3 32.493 7.918 -13.545
21 HG21 VAL 3 HG21 VAL 3 30.270 5.116 -15.856
22 HG22 VAL 3 HG22 VAL 3 30.874 6.566 -16.656
23 HG23 VAL 3 HG23 VAL 3 29.594 6.694 -15.451
24 H ARG 4 HN ARG 4 34.067 4.191 -13.216
25 HA ARG 4 HA ARG 4 32.917 1.641 -14.122
26 HB2 ARG 4 HB2 ARG 4 35.415 2.297 -12.567
27 HB3 ARG 4 HB1 ARG 4 34.778 0.661 -12.669
28 HG2 ARG 4 HG2 ARG 4 35.013 0.716 -15.099
29 HG3 ARG 4 HG1 ARG 4 35.642 2.362 -15.001
30 HD2 ARG 4 HD2 ARG 4 37.525 1.559 -13.660
31 HD3 ARG 4 HD1 ARG 4 36.895 -0.085 -13.757
32 HE ARG 4 HE ARG 4 37.208 0.885 -16.361
33 HH11 ARG 4 HH11 ARG 4 40.583 -0.465 -14.651
34 HH12 ARG 4 HH12 ARG 4 39.245 -0.019 -13.647
35 HH21 ARG 4 HH21 ARG 4 38.972 0.294 -17.656
36 HH22 ARG 4 HH22 ARG 4 40.427 -0.288 -16.920
37 H VAL 5 HN VAL 5 31.965 0.211 -12.685
38 HA VAL 5 HA VAL 5 31.114 1.401 -10.134
39 HB VAL 5 HB VAL 5 29.314 0.944 -11.811
40 HG11 VAL 5 HG11 VAL 5 28.522 -1.361 -12.148
41 HG12 VAL 5 HG12 VAL 5 29.963 -1.958 -11.326
42 HG13 VAL 5 HG13 VAL 5 30.116 -1.080 -12.847
43 HG21 VAL 5 HG21 VAL 5 29.099 -0.589 -9.226
44 HG22 VAL 5 HG22 VAL 5 27.742 -0.098 -10.239
45 HG23 VAL 5 HG23 VAL 5 28.752 1.124 -9.467
46 H GLY 6 HN GLY 6 31.211 0.230 -8.234
47 HA2 GLY 6 HA2 GLY 6 31.551 -2.321 -7.588
48 HA3 GLY 6 HA1 GLY 6 33.148 -1.953 -8.223
49 H THR 7 HN THR 7 31.880 -2.550 -5.464
50 HA THR 7 HA THR 7 32.840 -0.213 -3.974
51 HB THR 7 HB THR 7 31.897 -1.481 -1.973
52 HG1 THR 7 HG1 THR 7 30.123 -2.916 -3.388
53 HG21 THR 7 HG21 THR 7 30.717 0.398 -2.998
54 HG22 THR 7 HG22 THR 7 29.581 -0.843 -2.470
55 HG23 THR 7 HG23 THR 7 29.989 -0.693 -4.179
56 H CYS 8 HN CYS 8 34.424 -0.349 -2.384
57 HA CYS 8 HA CYS 8 36.370 -2.465 -2.762
58 HB2 CYS 8 HB2 CYS 8 36.503 0.076 -1.126
59 HB3 CYS 8 HB1 CYS 8 37.847 -1.003 -1.468
60 HA PRO 9 HA PRO 9 35.360 -4.711 0.969
61 HB2 PRO 9 HB2 PRO 9 37.839 -5.595 1.753
62 HB3 PRO 9 HB1 PRO 9 36.917 -6.312 0.413
63 HG2 PRO 9 HG2 PRO 9 39.147 -4.338 0.324
64 HG3 PRO 9 HG1 PRO 9 38.855 -5.760 -0.705
65 HD2 PRO 9 HD2 PRO 9 38.272 -3.270 -1.537
66 HD3 PRO 9 HD1 PRO 9 37.278 -4.667 -1.995
67 H SER 10 HN SER 10 35.773 -4.826 3.308
68 HA SER 10 HA SER 10 36.174 -2.195 4.420
69 HB2 SER 10 HB2 SER 10 35.510 -4.826 5.759
70 HB3 SER 10 HB1 SER 10 35.495 -3.252 6.552
71 HG SER 10 HG SER 10 33.533 -4.380 5.230
72 H GLY 11 HN GLY 11 37.845 -1.443 5.573
73 HA2 GLY 11 HA2 GLY 11 39.741 -1.595 6.985
74 HA3 GLY 11 HA1 GLY 11 39.942 -3.276 6.496
75 H TYR 12 HN TYR 12 39.408 -0.705 4.185
76 HA TYR 12 HA TYR 12 42.214 -0.922 3.306
77 HB2 TYR 12 HB2 TYR 12 39.678 -1.211 1.812
78 HB3 TYR 12 HB1 TYR 12 40.912 -0.228 1.021
79 HD1 TYR 12 HD1 TYR 12 40.103 -3.594 2.284
80 HD2 TYR 12 HD2 TYR 12 42.919 -1.206 0.176
81 HE1 TYR 12 HE1 TYR 12 41.247 -5.633 1.514
82 HE2 TYR 12 HE2 TYR 12 44.074 -3.231 -0.594
83 HH TYR 12 HH TYR 12 42.724 -6.334 -0.321
84 H VAL 13 HN VAL 13 42.974 0.964 1.996
85 HA VAL 13 HA VAL 13 41.961 3.443 3.205
86 HB VAL 13 HB VAL 13 44.611 2.955 1.809
87 HG11 VAL 13 HG11 VAL 13 45.281 5.139 2.738
88 HG12 VAL 13 HG12 VAL 13 43.638 5.378 3.332
89 HG13 VAL 13 HG13 VAL 13 43.943 5.288 1.598
90 HG21 VAL 13 HG21 VAL 13 43.949 3.217 4.740
91 HG22 VAL 13 HG22 VAL 13 45.580 3.171 4.074
92 HG23 VAL 13 HG23 VAL 13 44.522 1.769 3.913
93 H ARG 14 HN ARG 14 40.426 4.346 2.001
94 HA ARG 14 HA ARG 14 40.588 4.283 -0.929
95 HB2 ARG 14 HB2 ARG 14 38.319 5.197 0.841
96 HB3 ARG 14 HB1 ARG 14 38.248 4.949 -0.902
97 HG2 ARG 14 HG2 ARG 14 38.590 2.546 -0.589
98 HG3 ARG 14 HG1 ARG 14 38.666 2.787 1.162
99 HD2 ARG 14 HD2 ARG 14 36.290 3.599 -0.498
100 HD3 ARG 14 HD1 ARG 14 36.447 1.995 0.216
101 HE ARG 14 HE ARG 14 36.837 3.849 2.253
102 HH11 ARG 14 HH11 ARG 14 34.216 2.880 0.127
103 HH12 ARG 14 HH12 ARG 14 32.981 3.317 1.261
104 HH21 ARG 14 HH21 ARG 14 33.543 4.183 3.294
105 HH22 ARG 14 HH22 ARG 14 35.205 4.413 3.722
106 H ARG 15 HN ARG 15 41.931 5.932 -1.532
107 HA ARG 15 HA ARG 15 40.985 8.641 -1.047
108 HB2 ARG 15 HB2 ARG 15 43.756 7.716 -0.269
109 HB3 ARG 15 HB1 ARG 15 43.341 9.409 -0.504
110 HG2 ARG 15 HG2 ARG 15 41.900 9.433 1.344
111 HG3 ARG 15 HG1 ARG 15 41.810 7.667 1.411
112 HD2 ARG 15 HD2 ARG 15 44.171 7.589 2.078
113 HD3 ARG 15 HD1 ARG 15 44.255 9.349 2.006
114 HE ARG 15 HE ARG 15 42.177 8.634 3.739
115 HH11 ARG 15 HH11 ARG 15 45.684 8.466 3.639
116 HH12 ARG 15 HH12 ARG 15 45.849 8.529 5.362
117 HH21 ARG 15 HH21 ARG 15 42.417 8.715 5.991
118 HH22 ARG 15 HH22 ARG 15 44.001 8.670 6.692
119 H GLY 16 HN GLY 16 41.303 9.985 -2.739
120 HA2 GLY 16 HA2 GLY 16 42.106 10.785 -4.765
121 HA3 GLY 16 HA1 GLY 16 43.286 9.476 -4.780
122 H THR 17 HN THR 17 39.924 8.752 -4.320
123 HA THR 17 HA THR 17 38.309 7.734 -5.540
124 HB THR 17 HB THR 17 39.645 8.248 -8.176
125 HG1 THR 17 HG1 THR 17 38.841 10.185 -6.325
126 HG21 THR 17 HG21 THR 17 37.453 7.147 -8.115
127 HG22 THR 17 HG22 THR 17 37.341 8.738 -8.870
128 HG23 THR 17 HG23 THR 17 36.790 8.508 -7.210
129 H PHE 18 HN PHE 18 40.983 6.431 -4.827
130 HA PHE 18 HA PHE 18 40.459 3.937 -6.256
131 HB2 PHE 18 HB2 PHE 18 42.875 3.506 -6.613
132 HB3 PHE 18 HB1 PHE 18 42.295 4.884 -7.532
133 HD1 PHE 18 HD1 PHE 18 43.133 7.091 -7.115
134 HD2 PHE 18 HD2 PHE 18 44.376 3.817 -4.700
135 HE1 PHE 18 HE1 PHE 18 44.961 8.463 -6.203
136 HE2 PHE 18 HE2 PHE 18 46.204 5.182 -3.780
137 HZ PHE 18 HZ PHE 18 46.498 7.509 -4.531
138 H CYS 19 HN CYS 19 41.005 2.057 -5.147
139 HA CYS 19 HA CYS 19 41.549 2.432 -2.277
140 HB2 CYS 19 HB2 CYS 19 40.169 0.116 -3.660
141 HB3 CYS 19 HB1 CYS 19 40.384 0.304 -1.918
142 H PHE 20 HN PHE 20 43.420 1.688 -1.493
143 HA PHE 20 HA PHE 20 44.813 -0.420 -2.981
144 HB2 PHE 20 HB2 PHE 20 46.951 0.696 -2.683
145 HB3 PHE 20 HB1 PHE 20 45.825 1.798 -3.474
146 HD1 PHE 20 HD1 PHE 20 44.778 3.645 -2.118
147 HD2 PHE 20 HD2 PHE 20 47.961 1.237 -0.640
148 HE1 PHE 20 HE1 PHE 20 45.242 5.327 -0.383
149 HE2 PHE 20 HE2 PHE 20 48.431 2.915 1.094
150 HZ PHE 20 HZ PHE 20 47.068 4.955 1.230
151 HA PRO 21 HA PRO 21 45.395 -2.289 1.057
152 HB2 PRO 21 HB2 PRO 21 47.905 -3.560 0.409
153 HB3 PRO 21 HB1 PRO 21 46.284 -4.286 0.437
154 HG2 PRO 21 HG2 PRO 21 47.751 -3.947 -1.835
155 HG3 PRO 21 HG1 PRO 21 45.978 -4.012 -1.799
156 HD2 PRO 21 HD2 PRO 21 47.774 -1.619 -1.947
157 HD3 PRO 21 HD1 PRO 21 46.264 -1.959 -2.821
158 H ASP 22 HN ASP 22 46.164 -1.736 2.956
159 HA ASP 22 HA ASP 22 48.854 -0.925 3.478
160 HB2 ASP 22 HB2 ASP 22 47.793 1.154 2.440
161 HB3 ASP 22 HB1 ASP 22 46.756 1.223 3.863
162 H ASP 23 HN ASP 23 45.500 -0.630 4.660
163 HA ASP 23 HA ASP 23 46.323 -1.192 7.390
164 HB2 ASP 23 HB2 ASP 23 44.599 0.579 6.680
165 HB3 ASP 23 HB1 ASP 23 43.499 -0.768 6.413
166 H ASP 24 HN ASP 24 45.298 -2.923 4.656
167 HA ASP 24 HA ASP 24 44.672 -5.266 6.322
168 HB2 ASP 24 HB2 ASP 24 42.688 -4.139 5.044
169 HB3 ASP 24 HB1 ASP 24 43.396 -4.897 3.623
170 H TYR 25 HN TYR 25 46.523 -6.388 6.158
171 HA TYR 25 HA TYR 25 47.887 -6.659 3.595
172 HB2 TYR 25 HB2 TYR 25 48.640 -7.505 6.396
173 HB3 TYR 25 HB1 TYR 25 49.605 -7.896 4.979
174 HD1 TYR 25 HD1 TYR 25 50.808 -6.131 3.770
175 HD2 TYR 25 HD2 TYR 25 48.597 -5.272 7.302
176 HE1 TYR 25 HE1 TYR 25 51.968 -3.972 3.964
177 HE2 TYR 25 HE2 TYR 25 49.750 -3.110 7.505
178 HH TYR 25 HH TYR 25 51.604 -1.772 4.998
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 44.554 -10.730 -20.666
2 H2 PHE 1 HT2 PHE 1 43.289 -9.974 -19.835
3 H3 PHE 1 HT3 PHE 1 44.730 -10.342 -19.028
4 HA PHE 1 HA PHE 1 45.949 -8.789 -20.375
5 HB2 PHE 1 HB2 PHE 1 44.205 -9.145 -22.297
6 HB3 PHE 1 HB1 PHE 1 43.357 -7.808 -21.534
7 HD1 PHE 1 HD1 PHE 1 44.270 -5.568 -21.578
8 HD2 PHE 1 HD2 PHE 1 46.327 -8.810 -23.411
9 HE1 PHE 1 HE1 PHE 1 45.704 -3.971 -22.782
10 HE2 PHE 1 HE2 PHE 1 47.764 -7.220 -24.619
11 HZ PHE 1 HZ PHE 1 47.455 -4.797 -24.305
12 H GLY 2 HN GLY 2 42.673 -8.369 -19.071
13 HA2 GLY 2 HA2 GLY 2 43.723 -6.357 -17.210
14 HA3 GLY 2 HA1 GLY 2 42.345 -5.922 -18.210
15 H VAL 3 HN VAL 3 42.572 -6.115 -15.297
16 HA VAL 3 HA VAL 3 40.330 -7.955 -14.847
17 HB VAL 3 HB VAL 3 41.293 -8.408 -12.518
18 HG11 VAL 3 HG11 VAL 3 42.659 -9.571 -14.940
19 HG12 VAL 3 HG12 VAL 3 41.137 -10.111 -14.230
20 HG13 VAL 3 HG13 VAL 3 42.643 -10.289 -13.329
21 HG21 VAL 3 HG21 VAL 3 43.082 -6.733 -12.514
22 HG22 VAL 3 HG22 VAL 3 43.864 -7.555 -13.864
23 HG23 VAL 3 HG23 VAL 3 43.735 -8.357 -12.299
24 H ARG 4 HN ARG 4 38.703 -7.182 -13.647
25 HA ARG 4 HA ARG 4 39.091 -4.643 -12.207
26 HB2 ARG 4 HB2 ARG 4 36.881 -5.368 -14.126
27 HB3 ARG 4 HB1 ARG 4 36.714 -4.074 -12.948
28 HG2 ARG 4 HG2 ARG 4 38.629 -2.921 -13.940
29 HG3 ARG 4 HG1 ARG 4 38.789 -4.218 -15.126
30 HD2 ARG 4 HD2 ARG 4 36.534 -3.722 -15.956
31 HD3 ARG 4 HD1 ARG 4 36.395 -2.415 -14.780
32 HE ARG 4 HE ARG 4 38.671 -1.863 -16.214
33 HH11 ARG 4 HH11 ARG 4 35.356 -1.224 -18.390
34 HH12 ARG 4 HH12 ARG 4 35.279 -2.289 -17.025
35 HH21 ARG 4 HH21 ARG 4 38.745 -0.476 -18.005
36 HH22 ARG 4 HH22 ARG 4 37.315 -0.201 -18.944
37 H VAL 5 HN VAL 5 37.765 -4.300 -10.402
38 HA VAL 5 HA VAL 5 36.221 -6.618 -9.470
39 HB VAL 5 HB VAL 5 37.038 -6.074 -7.108
40 HG11 VAL 5 HG11 VAL 5 38.960 -7.248 -9.110
41 HG12 VAL 5 HG12 VAL 5 37.653 -8.098 -8.283
42 HG13 VAL 5 HG13 VAL 5 39.028 -7.485 -7.363
43 HG21 VAL 5 HG21 VAL 5 39.252 -4.703 -8.649
44 HG22 VAL 5 HG22 VAL 5 39.306 -5.114 -6.935
45 HG23 VAL 5 HG23 VAL 5 38.131 -3.936 -7.522
46 H GLY 6 HN GLY 6 36.800 -3.153 -9.203
47 HA2 GLY 6 HA2 GLY 6 34.967 -1.603 -9.255
48 HA3 GLY 6 HA1 GLY 6 33.980 -2.801 -8.431
49 H THR 7 HN THR 7 33.848 -2.769 -6.260
50 HA THR 7 HA THR 7 35.302 -0.640 -4.862
51 HB THR 7 HB THR 7 33.628 -1.124 -3.004
52 HG1 THR 7 HG1 THR 7 33.059 -3.225 -4.153
53 HG21 THR 7 HG21 THR 7 31.823 0.132 -4.095
54 HG22 THR 7 HG22 THR 7 32.555 -0.186 -5.668
55 HG23 THR 7 HG23 THR 7 33.404 0.809 -4.486
56 H CYS 8 HN CYS 8 36.292 -0.995 -2.839
57 HA CYS 8 HA CYS 8 37.344 -3.710 -2.519
58 HB2 CYS 8 HB2 CYS 8 39.088 -2.612 -1.111
59 HB3 CYS 8 HB1 CYS 8 39.044 -2.016 -2.771
60 HA PRO 9 HA PRO 9 35.042 -4.462 1.228
61 HB2 PRO 9 HB2 PRO 9 36.810 -6.005 2.647
62 HB3 PRO 9 HB1 PRO 9 35.863 -6.611 1.272
63 HG2 PRO 9 HG2 PRO 9 38.697 -5.694 1.351
64 HG3 PRO 9 HG1 PRO 9 37.988 -7.100 0.524
65 HD2 PRO 9 HD2 PRO 9 38.591 -4.840 -0.800
66 HD3 PRO 9 HD1 PRO 9 37.183 -5.832 -1.232
67 H SER 10 HN SER 10 35.071 -4.184 3.592
68 HA SER 10 HA SER 10 36.034 -1.665 4.380
69 HB2 SER 10 HB2 SER 10 34.042 -2.854 5.338
70 HB3 SER 10 HB1 SER 10 35.153 -3.902 6.217
71 HG SER 10 HG SER 10 34.396 -1.320 6.731
72 H GLY 11 HN GLY 11 37.701 -0.984 5.644
73 HA2 GLY 11 HA2 GLY 11 39.553 -1.252 7.113
74 HA3 GLY 11 HA1 GLY 11 39.638 -2.951 6.652
75 H TYR 12 HN TYR 12 39.219 -0.724 4.086
76 HA TYR 12 HA TYR 12 42.034 -1.051 3.291
77 HB2 TYR 12 HB2 TYR 12 39.484 -1.277 1.863
78 HB3 TYR 12 HB1 TYR 12 40.669 -0.276 1.020
79 HD1 TYR 12 HD1 TYR 12 42.674 -1.234 0.107
80 HD2 TYR 12 HD2 TYR 12 39.916 -3.658 2.253
81 HE1 TYR 12 HE1 TYR 12 43.795 -3.248 -0.741
82 HE2 TYR 12 HE2 TYR 12 41.028 -5.682 1.411
83 HH TYR 12 HH TYR 12 42.441 -6.355 -0.479
84 H VAL 13 HN VAL 13 42.877 0.743 1.848
85 HA VAL 13 HA VAL 13 42.126 3.328 3.029
86 HB VAL 13 HB VAL 13 44.630 2.646 1.452
87 HG11 VAL 13 HG11 VAL 13 43.968 5.092 3.099
88 HG12 VAL 13 HG12 VAL 13 44.082 5.025 1.340
89 HG13 VAL 13 HG13 VAL 13 45.519 4.760 2.327
90 HG21 VAL 13 HG21 VAL 13 44.184 2.843 4.426
91 HG22 VAL 13 HG22 VAL 13 45.773 2.805 3.664
92 HG23 VAL 13 HG23 VAL 13 44.687 1.422 3.509
93 H ARG 14 HN ARG 14 41.206 4.898 1.850
94 HA ARG 14 HA ARG 14 41.065 4.621 -1.086
95 HB2 ARG 14 HB2 ARG 14 38.817 5.551 0.686
96 HB3 ARG 14 HB1 ARG 14 38.744 5.293 -1.056
97 HG2 ARG 14 HG2 ARG 14 38.985 2.893 -0.746
98 HG3 ARG 14 HG1 ARG 14 39.136 3.117 1.002
99 HD2 ARG 14 HD2 ARG 14 36.725 4.036 -0.546
100 HD3 ARG 14 HD1 ARG 14 36.855 2.410 0.120
101 HE ARG 14 HE ARG 14 37.362 3.944 2.266
102 HH11 ARG 14 HH11 ARG 14 34.750 4.063 -0.079
103 HH12 ARG 14 HH12 ARG 14 33.610 4.710 1.053
104 HH21 ARG 14 HH21 ARG 14 34.234 5.122 3.207
105 HH22 ARG 14 HH22 ARG 14 35.852 4.793 3.731
106 H ARG 15 HN ARG 15 42.172 6.358 -1.857
107 HA ARG 15 HA ARG 15 41.345 8.998 -0.923
108 HB2 ARG 15 HB2 ARG 15 44.212 8.048 -0.847
109 HB3 ARG 15 HB1 ARG 15 43.753 9.746 -0.771
110 HG2 ARG 15 HG2 ARG 15 42.372 7.974 1.147
111 HG3 ARG 15 HG1 ARG 15 44.114 8.179 1.407
112 HD2 ARG 15 HD2 ARG 15 42.247 10.509 1.012
113 HD3 ARG 15 HD1 ARG 15 42.575 9.817 2.601
114 HE ARG 15 HE ARG 15 45.013 10.405 1.336
115 HH11 ARG 15 HH11 ARG 15 42.298 12.100 2.781
116 HH12 ARG 15 HH12 ARG 15 43.246 13.482 3.220
117 HH21 ARG 15 HH21 ARG 15 46.235 12.224 1.922
118 HH22 ARG 15 HH22 ARG 15 45.473 13.551 2.732
119 H GLY 16 HN GLY 16 40.711 10.039 -2.683
120 HA2 GLY 16 HA2 GLY 16 40.874 11.089 -4.742
121 HA3 GLY 16 HA1 GLY 16 42.444 10.322 -4.977
122 H THR 17 HN THR 17 39.161 9.032 -4.443
123 HA THR 17 HA THR 17 37.948 7.393 -5.443
124 HB THR 17 HB THR 17 37.784 7.449 -7.942
125 HG1 THR 17 HG1 THR 17 39.135 9.764 -8.290
126 HG21 THR 17 HG21 THR 17 36.355 8.875 -6.571
127 HG22 THR 17 HG22 THR 17 36.797 9.689 -8.071
128 HG23 THR 17 HG23 THR 17 37.596 10.127 -6.561
129 H PHE 18 HN PHE 18 40.616 6.693 -4.614
130 HA PHE 18 HA PHE 18 41.026 4.290 -6.244
131 HB2 PHE 18 HB2 PHE 18 42.750 5.747 -7.015
132 HB3 PHE 18 HB1 PHE 18 43.111 6.305 -5.391
133 HD1 PHE 18 HD1 PHE 18 44.783 5.303 -4.130
134 HD2 PHE 18 HD2 PHE 18 43.345 3.342 -7.624
135 HE1 PHE 18 HE1 PHE 18 46.613 3.673 -3.961
136 HE2 PHE 18 HE2 PHE 18 45.173 1.702 -7.457
137 HZ PHE 18 HZ PHE 18 46.805 1.873 -5.622
138 H CYS 19 HN CYS 19 41.547 2.467 -5.119
139 HA CYS 19 HA CYS 19 41.864 2.670 -2.196
140 HB2 CYS 19 HB2 CYS 19 39.536 2.004 -2.823
141 HB3 CYS 19 HB1 CYS 19 40.202 0.589 -3.640
142 H PHE 20 HN PHE 20 43.615 1.632 -1.457
143 HA PHE 20 HA PHE 20 44.699 -0.600 -3.024
144 HB2 PHE 20 HB2 PHE 20 46.969 0.232 -2.797
145 HB3 PHE 20 HB1 PHE 20 45.965 1.482 -3.529
146 HD1 PHE 20 HD1 PHE 20 45.217 3.425 -2.112
147 HD2 PHE 20 HD2 PHE 20 48.116 0.605 -0.788
148 HE1 PHE 20 HE1 PHE 20 45.963 5.008 -0.381
149 HE2 PHE 20 HE2 PHE 20 48.866 2.183 0.944
150 HZ PHE 20 HZ PHE 20 47.785 4.381 1.152
151 HA PRO 21 HA PRO 21 45.209 -2.587 0.970
152 HB2 PRO 21 HB2 PRO 21 47.642 -3.990 0.261
153 HB3 PRO 21 HB1 PRO 21 45.989 -4.630 0.352
154 HG2 PRO 21 HG2 PRO 21 47.356 -4.397 -1.975
155 HG3 PRO 21 HG1 PRO 21 45.587 -4.292 -1.865
156 HD2 PRO 21 HD2 PRO 21 47.598 -2.074 -2.056
157 HD3 PRO 21 HD1 PRO 21 46.048 -2.269 -2.903
158 H ASP 22 HN ASP 22 46.003 -2.101 2.871
159 HA ASP 22 HA ASP 22 48.736 -1.542 3.448
160 HB2 ASP 22 HB2 ASP 22 47.895 0.637 2.379
161 HB3 ASP 22 HB1 ASP 22 46.878 0.817 3.806
162 H ASP 23 HN ASP 23 45.404 -0.878 4.532
163 HA ASP 23 HA ASP 23 46.077 -1.543 7.283
164 HB2 ASP 23 HB2 ASP 23 44.590 0.421 6.537
165 HB3 ASP 23 HB1 ASP 23 43.349 -0.789 6.234
166 H ASP 24 HN ASP 24 44.712 -3.028 4.490
167 HA ASP 24 HA ASP 24 44.000 -5.394 6.083
168 HB2 ASP 24 HB2 ASP 24 42.005 -3.971 5.173
169 HB3 ASP 24 HB1 ASP 24 42.427 -4.682 3.619
170 H TYR 25 HN TYR 25 45.560 -6.804 5.571
171 HA TYR 25 HA TYR 25 46.337 -7.100 2.746
172 HB2 TYR 25 HB2 TYR 25 48.054 -6.441 4.617
173 HB3 TYR 25 HB1 TYR 25 47.997 -8.154 5.017
174 HD1 TYR 25 HD1 TYR 25 49.097 -5.669 2.577
175 HD2 TYR 25 HD2 TYR 25 48.874 -9.824 3.458
176 HE1 TYR 25 HE1 TYR 25 50.748 -6.126 0.812
177 HE2 TYR 25 HE2 TYR 25 50.524 -10.293 1.696
178 HH TYR 25 HH TYR 25 52.377 -7.861 0.219
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 20.385 -8.373 -15.027
2 H2 PHE 1 HT2 PHE 1 20.177 -8.578 -16.693
3 H3 PHE 1 HT3 PHE 1 21.253 -7.408 -16.114
4 HA PHE 1 HA PHE 1 21.536 -10.336 -15.770
5 HB2 PHE 1 HB2 PHE 1 22.932 -8.381 -17.606
6 HB3 PHE 1 HB1 PHE 1 23.540 -9.998 -17.276
7 HD1 PHE 1 HD1 PHE 1 20.957 -8.040 -18.959
8 HD2 PHE 1 HD2 PHE 1 22.422 -11.955 -18.158
9 HE1 PHE 1 HE1 PHE 1 19.541 -8.934 -20.762
10 HE2 PHE 1 HE2 PHE 1 21.008 -12.856 -19.959
11 HZ PHE 1 HZ PHE 1 19.565 -11.346 -21.264
12 H GLY 2 HN GLY 2 22.905 -7.104 -15.264
13 HA2 GLY 2 HA2 GLY 2 23.847 -7.459 -12.717
14 HA3 GLY 2 HA1 GLY 2 25.150 -8.040 -13.740
15 H VAL 3 HN VAL 3 25.035 -5.739 -11.916
16 HA VAL 3 HA VAL 3 25.962 -3.713 -13.813
17 HB VAL 3 HB VAL 3 24.926 -1.913 -12.317
18 HG11 VAL 3 HG11 VAL 3 22.797 -1.978 -13.533
19 HG12 VAL 3 HG12 VAL 3 23.131 -3.643 -14.009
20 HG13 VAL 3 HG13 VAL 3 24.172 -2.339 -14.576
21 HG21 VAL 3 HG21 VAL 3 23.149 -4.214 -11.485
22 HG22 VAL 3 HG22 VAL 3 22.845 -2.509 -11.153
23 HG23 VAL 3 HG23 VAL 3 24.240 -3.312 -10.432
24 H ARG 4 HN ARG 4 27.761 -2.656 -13.219
25 HA ARG 4 HA ARG 4 28.741 -2.986 -10.462
26 HB2 ARG 4 HB2 ARG 4 30.250 -3.425 -13.036
27 HB3 ARG 4 HB1 ARG 4 31.069 -3.129 -11.509
28 HG2 ARG 4 HG2 ARG 4 30.042 -5.122 -10.556
29 HG3 ARG 4 HG1 ARG 4 29.183 -5.412 -12.069
30 HD2 ARG 4 HD2 ARG 4 31.326 -5.647 -13.234
31 HD3 ARG 4 HD1 ARG 4 32.178 -5.368 -11.716
32 HE ARG 4 HE ARG 4 30.476 -7.494 -11.262
33 HH11 ARG 4 HH11 ARG 4 33.675 -8.517 -13.463
34 HH12 ARG 4 HH12 ARG 4 33.193 -6.855 -13.394
35 HH21 ARG 4 HH21 ARG 4 31.125 -9.661 -11.367
36 HH22 ARG 4 HH22 ARG 4 32.505 -10.104 -12.317
37 H VAL 5 HN VAL 5 30.072 -1.332 -9.662
38 HA VAL 5 HA VAL 5 30.226 1.110 -11.286
39 HB VAL 5 HB VAL 5 29.791 2.438 -9.143
40 HG11 VAL 5 HG11 VAL 5 27.362 2.367 -9.469
41 HG12 VAL 5 HG12 VAL 5 27.539 0.882 -10.403
42 HG13 VAL 5 HG13 VAL 5 28.239 2.387 -11.000
43 HG21 VAL 5 HG21 VAL 5 29.922 0.664 -7.493
44 HG22 VAL 5 HG22 VAL 5 28.593 -0.197 -8.268
45 HG23 VAL 5 HG23 VAL 5 28.300 1.358 -7.488
46 H GLY 6 HN GLY 6 31.470 -0.677 -8.512
47 HA2 GLY 6 HA2 GLY 6 33.932 -0.916 -8.450
48 HA3 GLY 6 HA1 GLY 6 34.014 0.807 -8.786
49 H THR 7 HN THR 7 33.554 -1.633 -6.386
50 HA THR 7 HA THR 7 33.839 0.386 -4.278
51 HB THR 7 HB THR 7 32.237 -0.990 -2.850
52 HG1 THR 7 HG1 THR 7 30.879 -1.795 -5.123
53 HG21 THR 7 HG21 THR 7 31.101 0.492 -5.225
54 HG22 THR 7 HG22 THR 7 31.640 1.217 -3.712
55 HG23 THR 7 HG23 THR 7 30.242 0.139 -3.725
56 H CYS 8 HN CYS 8 35.263 -0.162 -2.738
57 HA CYS 8 HA CYS 8 36.486 -2.818 -2.900
58 HB2 CYS 8 HB2 CYS 8 38.357 -1.793 -1.623
59 HB3 CYS 8 HB1 CYS 8 38.039 -0.978 -3.154
60 HA PRO 9 HA PRO 9 34.746 -4.156 0.981
61 HB2 PRO 9 HB2 PRO 9 36.737 -5.773 1.940
62 HB3 PRO 9 HB1 PRO 9 35.646 -6.244 0.618
63 HG2 PRO 9 HG2 PRO 9 38.431 -5.187 0.479
64 HG3 PRO 9 HG1 PRO 9 37.676 -6.511 -0.440
65 HD2 PRO 9 HD2 PRO 9 38.016 -4.061 -1.501
66 HD3 PRO 9 HD1 PRO 9 36.612 -5.072 -1.898
67 H SER 10 HN SER 10 35.075 -4.183 3.333
68 HA SER 10 HA SER 10 36.210 -1.749 4.278
69 HB2 SER 10 HB2 SER 10 35.506 -2.610 6.532
70 HB3 SER 10 HB1 SER 10 34.215 -2.582 5.330
71 HG SER 10 HG SER 10 35.101 -4.650 6.734
72 H GLY 11 HN GLY 11 37.927 -1.380 5.660
73 HA2 GLY 11 HA2 GLY 11 39.807 -1.986 6.975
74 HA3 GLY 11 HA1 GLY 11 39.751 -3.599 6.265
75 H TYR 12 HN TYR 12 39.542 -0.684 4.352
76 HA TYR 12 HA TYR 12 42.311 -1.010 3.419
77 HB2 TYR 12 HB2 TYR 12 39.804 -1.291 1.885
78 HB3 TYR 12 HB1 TYR 12 41.015 -0.250 1.134
79 HD1 TYR 12 HD1 TYR 12 43.070 -1.148 0.290
80 HD2 TYR 12 HD2 TYR 12 40.258 -3.676 2.233
81 HE1 TYR 12 HE1 TYR 12 44.265 -3.118 -0.561
82 HE2 TYR 12 HE2 TYR 12 41.443 -5.658 1.387
83 HH TYR 12 HH TYR 12 42.958 -6.252 -0.454
84 H VAL 13 HN VAL 13 43.035 0.921 2.089
85 HA VAL 13 HA VAL 13 42.021 3.371 3.360
86 HB VAL 13 HB VAL 13 44.620 2.999 1.833
87 HG11 VAL 13 HG11 VAL 13 45.281 5.135 2.868
88 HG12 VAL 13 HG12 VAL 13 43.669 5.284 3.567
89 HG13 VAL 13 HG13 VAL 13 43.877 5.319 1.816
90 HG21 VAL 13 HG21 VAL 13 45.691 3.128 4.075
91 HG22 VAL 13 HG22 VAL 13 44.721 1.675 3.833
92 HG23 VAL 13 HG23 VAL 13 44.089 3.005 4.800
93 H ARG 14 HN ARG 14 40.473 4.329 2.206
94 HA ARG 14 HA ARG 14 40.524 4.218 -0.726
95 HB2 ARG 14 HB2 ARG 14 38.330 5.217 1.091
96 HB3 ARG 14 HB1 ARG 14 38.200 4.902 -0.639
97 HG2 ARG 14 HG2 ARG 14 38.461 2.522 -0.269
98 HG3 ARG 14 HG1 ARG 14 38.700 2.794 1.463
99 HD2 ARG 14 HD2 ARG 14 36.433 3.768 1.584
100 HD3 ARG 14 HD1 ARG 14 36.204 3.392 -0.123
101 HE ARG 14 HE ARG 14 36.918 1.022 1.106
102 HH11 ARG 14 HH11 ARG 14 34.256 3.299 1.369
103 HH12 ARG 14 HH12 ARG 14 33.123 2.092 1.876
104 HH21 ARG 14 HH21 ARG 14 33.781 -0.080 2.102
105 HH22 ARG 14 HH22 ARG 14 35.418 -0.540 1.772
106 H ARG 15 HN ARG 15 41.878 5.815 -1.397
107 HA ARG 15 HA ARG 15 41.008 8.556 -0.993
108 HB2 ARG 15 HB2 ARG 15 43.751 7.597 -0.159
109 HB3 ARG 15 HB1 ARG 15 43.392 9.286 -0.483
110 HG2 ARG 15 HG2 ARG 15 41.921 9.439 1.346
111 HG3 ARG 15 HG1 ARG 15 41.826 7.681 1.523
112 HD2 ARG 15 HD2 ARG 15 44.190 7.641 2.193
113 HD3 ARG 15 HD1 ARG 15 44.272 9.394 2.018
114 HE ARG 15 HE ARG 15 42.192 8.789 3.785
115 HH11 ARG 15 HH11 ARG 15 45.698 8.586 3.708
116 HH12 ARG 15 HH12 ARG 15 45.859 8.743 5.425
117 HH21 ARG 15 HH21 ARG 15 42.428 8.992 6.030
118 HH22 ARG 15 HH22 ARG 15 44.009 8.973 6.737
119 H GLY 16 HN GLY 16 41.256 9.750 -2.795
120 HA2 GLY 16 HA2 GLY 16 42.074 10.451 -4.849
121 HA3 GLY 16 HA1 GLY 16 43.308 9.198 -4.753
122 H THR 17 HN THR 17 39.761 9.085 -4.741
123 HA THR 17 HA THR 17 38.236 7.819 -5.799
124 HB THR 17 HB THR 17 38.642 9.556 -7.493
125 HG1 THR 17 HG1 THR 17 37.008 8.022 -7.859
126 HG21 THR 17 HG21 THR 17 40.945 9.046 -8.164
127 HG22 THR 17 HG22 THR 17 39.865 9.044 -9.560
128 HG23 THR 17 HG23 THR 17 40.409 7.518 -8.863
129 H PHE 18 HN PHE 18 40.743 6.309 -4.944
130 HA PHE 18 HA PHE 18 39.897 3.770 -6.002
131 HB2 PHE 18 HB2 PHE 18 42.315 3.099 -6.610
132 HB3 PHE 18 HB1 PHE 18 41.401 4.035 -7.776
133 HD1 PHE 18 HD1 PHE 18 43.699 4.722 -4.880
134 HD2 PHE 18 HD2 PHE 18 42.588 5.637 -8.892
135 HE1 PHE 18 HE1 PHE 18 45.553 6.331 -5.026
136 HE2 PHE 18 HE2 PHE 18 44.436 7.249 -9.036
137 HZ PHE 18 HZ PHE 18 45.923 7.598 -7.104
138 H CYS 19 HN CYS 19 40.572 1.996 -4.793
139 HA CYS 19 HA CYS 19 41.588 2.682 -2.124
140 HB2 CYS 19 HB2 CYS 19 40.309 0.079 -2.972
141 HB3 CYS 19 HB1 CYS 19 40.530 0.691 -1.332
142 H PHE 20 HN PHE 20 43.450 1.837 -1.319
143 HA PHE 20 HA PHE 20 44.844 -0.176 -2.933
144 HB2 PHE 20 HB2 PHE 20 46.969 0.977 -2.649
145 HB3 PHE 20 HB1 PHE 20 45.799 2.073 -3.379
146 HD1 PHE 20 HD1 PHE 20 44.774 3.877 -1.973
147 HD2 PHE 20 HD2 PHE 20 47.990 1.457 -0.589
148 HE1 PHE 20 HE1 PHE 20 45.245 5.520 -0.203
149 HE2 PHE 20 HE2 PHE 20 48.467 3.095 1.181
150 HZ PHE 20 HZ PHE 20 47.091 5.122 1.379
151 HA PRO 21 HA PRO 21 45.572 -2.160 1.021
152 HB2 PRO 21 HB2 PRO 21 48.067 -3.392 0.275
153 HB3 PRO 21 HB1 PRO 21 46.450 -4.125 0.290
154 HG2 PRO 21 HG2 PRO 21 47.893 -3.673 -1.983
155 HG3 PRO 21 HG1 PRO 21 46.121 -3.765 -1.927
156 HD2 PRO 21 HD2 PRO 21 47.883 -1.340 -1.991
157 HD3 PRO 21 HD1 PRO 21 46.367 -1.663 -2.863
158 H ASP 22 HN ASP 22 46.359 -1.663 2.913
159 HA ASP 22 HA ASP 22 49.056 -0.891 3.439
160 HB2 ASP 22 HB2 ASP 22 48.005 1.238 2.491
161 HB3 ASP 22 HB1 ASP 22 46.982 1.258 3.924
162 H ASP 23 HN ASP 23 45.718 -0.575 4.661
163 HA ASP 23 HA ASP 23 46.557 -1.309 7.351
164 HB2 ASP 23 HB2 ASP 23 44.892 0.566 6.750
165 HB3 ASP 23 HB1 ASP 23 43.733 -0.727 6.471
166 H ASP 24 HN ASP 24 45.438 -2.869 4.555
167 HA ASP 24 HA ASP 24 44.210 -5.080 6.045
168 HB2 ASP 24 HB2 ASP 24 43.216 -3.935 3.892
169 HB3 ASP 24 HB1 ASP 24 44.345 -4.991 3.052
170 H TYR 25 HN TYR 25 46.791 -4.414 3.695
171 HA TYR 25 HA TYR 25 48.076 -6.942 4.489
172 HB2 TYR 25 HB2 TYR 25 47.870 -5.752 1.719
173 HB3 TYR 25 HB1 TYR 25 49.023 -7.015 2.136
174 HD1 TYR 25 HD1 TYR 25 45.527 -6.238 1.461
175 HD2 TYR 25 HD2 TYR 25 48.237 -9.281 2.683
176 HE1 TYR 25 HE1 TYR 25 43.809 -7.939 1.016
177 HE2 TYR 25 HE2 TYR 25 46.526 -10.991 2.240
178 HH TYR 25 HH TYR 25 43.684 -10.342 0.509
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 19.368 -0.871 -8.004
2 H2 PHE 1 HT2 PHE 1 19.806 -2.478 -7.706
3 H3 PHE 1 HT3 PHE 1 18.173 -2.043 -7.758
4 HA PHE 1 HA PHE 1 18.825 -3.183 -9.773
5 HB2 PHE 1 HB2 PHE 1 18.174 -0.242 -10.050
6 HB3 PHE 1 HB1 PHE 1 18.122 -1.376 -11.395
7 HD1 PHE 1 HD1 PHE 1 16.382 -3.052 -11.544
8 HD2 PHE 1 HD2 PHE 1 16.514 -0.308 -8.293
9 HE1 PHE 1 HE1 PHE 1 14.071 -3.649 -10.951
10 HE2 PHE 1 HE2 PHE 1 14.203 -0.900 -7.695
11 HZ PHE 1 HZ PHE 1 12.978 -2.573 -9.024
12 H GLY 2 HN GLY 2 20.687 -0.218 -9.189
13 HA2 GLY 2 HA2 GLY 2 23.082 -1.284 -10.242
14 HA3 GLY 2 HA1 GLY 2 22.321 -0.265 -11.455
15 H VAL 3 HN VAL 3 23.675 -0.336 -8.209
16 HA VAL 3 HA VAL 3 24.381 2.495 -8.491
17 HB VAL 3 HB VAL 3 23.960 2.778 -5.984
18 HG11 VAL 3 HG11 VAL 3 21.609 2.450 -7.843
19 HG12 VAL 3 HG12 VAL 3 22.624 3.883 -7.676
20 HG13 VAL 3 HG13 VAL 3 21.604 3.364 -6.334
21 HG21 VAL 3 HG21 VAL 3 23.605 0.435 -5.377
22 HG22 VAL 3 HG22 VAL 3 22.187 0.366 -6.425
23 HG23 VAL 3 HG23 VAL 3 22.178 1.402 -4.998
24 H ARG 4 HN ARG 4 26.382 3.028 -7.841
25 HA ARG 4 HA ARG 4 28.043 0.884 -6.694
26 HB2 ARG 4 HB2 ARG 4 28.725 3.204 -8.498
27 HB3 ARG 4 HB1 ARG 4 29.959 2.291 -7.641
28 HG2 ARG 4 HG2 ARG 4 29.259 0.252 -8.781
29 HG3 ARG 4 HG1 ARG 4 28.000 1.154 -9.627
30 HD2 ARG 4 HD2 ARG 4 29.723 2.556 -10.669
31 HD3 ARG 4 HD1 ARG 4 30.971 1.626 -9.841
32 HE ARG 4 HE ARG 4 29.458 -0.203 -11.249
33 HH11 ARG 4 HH11 ARG 4 31.889 1.938 -13.625
34 HH12 ARG 4 HH12 ARG 4 31.458 2.567 -12.069
35 HH21 ARG 4 HH21 ARG 4 30.035 -1.004 -13.288
36 HH22 ARG 4 HH22 ARG 4 31.084 -0.081 -14.312
37 H VAL 5 HN VAL 5 28.909 1.133 -4.748
38 HA VAL 5 HA VAL 5 29.294 3.811 -3.643
39 HB VAL 5 HB VAL 5 28.400 2.980 -1.395
40 HG11 VAL 5 HG11 VAL 5 26.102 3.632 -1.951
41 HG12 VAL 5 HG12 VAL 5 26.481 3.467 -3.666
42 HG13 VAL 5 HG13 VAL 5 27.296 4.695 -2.697
43 HG21 VAL 5 HG21 VAL 5 26.575 1.309 -1.512
44 HG22 VAL 5 HG22 VAL 5 28.156 0.613 -1.862
45 HG23 VAL 5 HG23 VAL 5 27.034 0.956 -3.179
46 H GLY 6 HN GLY 6 29.889 0.349 -3.332
47 HA2 GLY 6 HA2 GLY 6 32.513 0.974 -2.142
48 HA3 GLY 6 HA1 GLY 6 31.501 -0.283 -1.448
49 H THR 7 HN THR 7 34.123 0.160 -3.273
50 HA THR 7 HA THR 7 33.601 -2.036 -5.145
51 HB THR 7 HB THR 7 35.883 -1.397 -6.080
52 HG1 THR 7 HG1 THR 7 36.931 0.144 -5.093
53 HG21 THR 7 HG21 THR 7 33.683 0.673 -6.169
54 HG22 THR 7 HG22 THR 7 33.795 -0.762 -7.187
55 HG23 THR 7 HG23 THR 7 34.998 0.519 -7.334
56 H CYS 8 HN CYS 8 35.869 -1.042 -2.619
57 HA CYS 8 HA CYS 8 36.948 -3.774 -2.529
58 HB2 CYS 8 HB2 CYS 8 38.817 -2.762 -1.218
59 HB3 CYS 8 HB1 CYS 8 38.666 -2.109 -2.850
60 HA PRO 9 HA PRO 9 34.897 -4.613 1.342
61 HB2 PRO 9 HB2 PRO 9 36.743 -6.206 2.602
62 HB3 PRO 9 HB1 PRO 9 35.688 -6.769 1.287
63 HG2 PRO 9 HG2 PRO 9 38.533 -5.890 1.179
64 HG3 PRO 9 HG1 PRO 9 37.744 -7.266 0.372
65 HD2 PRO 9 HD2 PRO 9 38.285 -4.985 -0.940
66 HD3 PRO 9 HD1 PRO 9 36.830 -5.940 -1.287
67 H SER 10 HN SER 10 35.083 -4.402 3.705
68 HA SER 10 HA SER 10 36.104 -1.912 4.499
69 HB2 SER 10 HB2 SER 10 35.226 -4.247 6.211
70 HB3 SER 10 HB1 SER 10 35.459 -2.596 6.784
71 HG SER 10 HG SER 10 33.384 -2.540 6.298
72 H GLY 11 HN GLY 11 37.888 -1.248 5.556
73 HA2 GLY 11 HA2 GLY 11 39.817 -1.560 6.935
74 HA3 GLY 11 HA1 GLY 11 39.872 -3.245 6.419
75 H TYR 12 HN TYR 12 39.485 -0.414 4.350
76 HA TYR 12 HA TYR 12 42.181 -0.831 3.247
77 HB2 TYR 12 HB2 TYR 12 39.565 -1.000 1.871
78 HB3 TYR 12 HB1 TYR 12 40.818 -0.088 1.025
79 HD1 TYR 12 HD1 TYR 12 39.815 -3.400 2.260
80 HD2 TYR 12 HD2 TYR 12 42.780 -1.184 0.163
81 HE1 TYR 12 HE1 TYR 12 40.805 -5.502 1.448
82 HE2 TYR 12 HE2 TYR 12 43.778 -3.274 -0.651
83 HH TYR 12 HH TYR 12 42.212 -6.272 -0.423
84 H VAL 13 HN VAL 13 42.969 1.035 1.952
85 HA VAL 13 HA VAL 13 42.060 3.546 3.181
86 HB VAL 13 HB VAL 13 44.664 2.986 1.723
87 HG11 VAL 13 HG11 VAL 13 45.418 5.141 2.649
88 HG12 VAL 13 HG12 VAL 13 43.798 5.423 3.287
89 HG13 VAL 13 HG13 VAL 13 44.057 5.339 1.545
90 HG21 VAL 13 HG21 VAL 13 44.102 3.270 4.674
91 HG22 VAL 13 HG22 VAL 13 45.702 3.126 3.948
92 HG23 VAL 13 HG23 VAL 13 44.557 1.788 3.834
93 H ARG 14 HN ARG 14 40.526 4.495 2.006
94 HA ARG 14 HA ARG 14 40.656 4.453 -0.928
95 HB2 ARG 14 HB2 ARG 14 38.410 5.351 0.879
96 HB3 ARG 14 HB1 ARG 14 38.323 5.163 -0.871
97 HG2 ARG 14 HG2 ARG 14 38.622 2.752 -0.647
98 HG3 ARG 14 HG1 ARG 14 38.742 2.924 1.110
99 HD2 ARG 14 HD2 ARG 14 36.466 3.824 1.170
100 HD3 ARG 14 HD1 ARG 14 36.349 3.655 -0.580
101 HE ARG 14 HE ARG 14 36.995 1.153 0.409
102 HH11 ARG 14 HH11 ARG 14 34.309 3.391 0.742
103 HH12 ARG 14 HH12 ARG 14 33.149 2.135 1.021
104 HH21 ARG 14 HH21 ARG 14 33.800 -0.048 1.041
105 HH22 ARG 14 HH22 ARG 14 35.459 -0.472 0.776
106 H ARG 15 HN ARG 15 42.017 6.090 -1.516
107 HA ARG 15 HA ARG 15 41.113 8.805 -0.987
108 HB2 ARG 15 HB2 ARG 15 43.887 7.844 -0.257
109 HB3 ARG 15 HB1 ARG 15 43.471 9.541 -0.438
110 HG2 ARG 15 HG2 ARG 15 41.759 7.941 1.383
111 HG3 ARG 15 HG1 ARG 15 43.418 8.272 1.919
112 HD2 ARG 15 HD2 ARG 15 43.039 10.674 1.571
113 HD3 ARG 15 HD1 ARG 15 41.390 10.335 1.051
114 HE ARG 15 HE ARG 15 41.647 9.204 3.554
115 HH11 ARG 15 HH11 ARG 15 41.889 12.449 2.234
116 HH12 ARG 15 HH12 ARG 15 41.377 13.209 3.704
117 HH21 ARG 15 HH21 ARG 15 40.976 10.219 5.466
118 HH22 ARG 15 HH22 ARG 15 40.861 11.947 5.531
119 H GLY 16 HN GLY 16 41.373 10.126 -2.698
120 HA2 GLY 16 HA2 GLY 16 42.161 10.942 -4.723
121 HA3 GLY 16 HA1 GLY 16 43.374 9.665 -4.732
122 H THR 17 HN THR 17 39.950 9.074 -4.353
123 HA THR 17 HA THR 17 38.380 7.954 -5.510
124 HB THR 17 HB THR 17 38.214 8.154 -7.956
125 HG1 THR 17 HG1 THR 17 40.144 9.880 -8.496
126 HG21 THR 17 HG21 THR 17 38.943 10.741 -6.579
127 HG22 THR 17 HG22 THR 17 37.357 9.970 -6.580
128 HG23 THR 17 HG23 THR 17 38.031 10.602 -8.083
129 H PHE 18 HN PHE 18 41.048 6.645 -4.848
130 HA PHE 18 HA PHE 18 40.491 4.173 -6.311
131 HB2 PHE 18 HB2 PHE 18 42.893 3.691 -6.624
132 HB3 PHE 18 HB1 PHE 18 42.385 5.116 -7.513
133 HD1 PHE 18 HD1 PHE 18 44.271 3.939 -4.559
134 HD2 PHE 18 HD2 PHE 18 43.387 7.224 -7.114
135 HE1 PHE 18 HE1 PHE 18 46.132 5.204 -3.568
136 HE2 PHE 18 HE2 PHE 18 45.245 8.497 -6.126
137 HZ PHE 18 HZ PHE 18 46.621 7.488 -4.350
138 H CYS 19 HN CYS 19 41.005 2.257 -5.225
139 HA CYS 19 HA CYS 19 41.506 2.578 -2.337
140 HB2 CYS 19 HB2 CYS 19 39.229 1.758 -2.927
141 HB3 CYS 19 HB1 CYS 19 39.966 0.368 -3.728
142 H PHE 20 HN PHE 20 43.373 1.780 -1.627
143 HA PHE 20 HA PHE 20 44.605 -0.439 -3.101
144 HB2 PHE 20 HB2 PHE 20 46.813 0.553 -2.797
145 HB3 PHE 20 HB1 PHE 20 45.750 1.698 -3.615
146 HD1 PHE 20 HD1 PHE 20 47.843 1.079 -0.760
147 HD2 PHE 20 HD2 PHE 20 44.790 3.617 -2.294
148 HE1 PHE 20 HE1 PHE 20 48.384 2.757 0.952
149 HE2 PHE 20 HE2 PHE 20 45.327 5.302 -0.582
150 HZ PHE 20 HZ PHE 20 47.124 4.865 1.046
151 HA PRO 21 HA PRO 21 45.115 -2.302 0.947
152 HB2 PRO 21 HB2 PRO 21 47.488 -3.792 0.299
153 HB3 PRO 21 HB1 PRO 21 45.808 -4.366 0.295
154 HG2 PRO 21 HG2 PRO 21 47.355 -4.122 -1.951
155 HG3 PRO 21 HG1 PRO 21 45.580 -4.084 -1.945
156 HD2 PRO 21 HD2 PRO 21 47.519 -1.803 -2.064
157 HD3 PRO 21 HD1 PRO 21 45.993 -2.042 -2.946
158 H ASP 22 HN ASP 22 45.919 -1.756 2.820
159 HA ASP 22 HA ASP 22 48.686 -1.178 3.305
160 HB2 ASP 22 HB2 ASP 22 47.787 0.975 2.299
161 HB3 ASP 22 HB1 ASP 22 46.734 1.104 3.705
162 H ASP 23 HN ASP 23 45.395 -0.598 4.566
163 HA ASP 23 HA ASP 23 46.228 -1.314 7.262
164 HB2 ASP 23 HB2 ASP 23 44.678 0.651 6.622
165 HB3 ASP 23 HB1 ASP 23 43.431 -0.573 6.412
166 H ASP 24 HN ASP 24 45.122 -2.944 4.553
167 HA ASP 24 HA ASP 24 43.628 -4.965 6.059
168 HB2 ASP 24 HB2 ASP 24 42.891 -3.932 3.776
169 HB3 ASP 24 HB1 ASP 24 44.063 -5.049 3.086
170 H TYR 25 HN TYR 25 46.488 -4.617 3.986
171 HA TYR 25 HA TYR 25 47.466 -7.201 5.006
172 HB2 TYR 25 HB2 TYR 25 47.723 -6.064 2.218
173 HB3 TYR 25 HB1 TYR 25 48.713 -7.396 2.802
174 HD1 TYR 25 HD1 TYR 25 47.716 -9.591 3.233
175 HD2 TYR 25 HD2 TYR 25 45.386 -6.382 1.694
176 HE1 TYR 25 HE1 TYR 25 45.956 -11.184 2.594
177 HE2 TYR 25 HE2 TYR 25 43.619 -7.966 1.050
178 HH TYR 25 HH TYR 25 43.386 -10.357 0.538
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 38.154 -14.585 -15.282
2 H2 PHE 1 HT2 PHE 1 39.235 -13.825 -14.227
3 H3 PHE 1 HT3 PHE 1 39.572 -13.888 -15.884
4 HA PHE 1 HA PHE 1 38.810 -11.698 -15.242
5 HB2 PHE 1 HB2 PHE 1 36.941 -13.319 -16.982
6 HB3 PHE 1 HB1 PHE 1 36.865 -11.565 -16.855
7 HD1 PHE 1 HD1 PHE 1 38.580 -10.169 -17.837
8 HD2 PHE 1 HD2 PHE 1 38.759 -14.410 -18.142
9 HE1 PHE 1 HE1 PHE 1 40.278 -9.966 -19.606
10 HE2 PHE 1 HE2 PHE 1 40.459 -14.215 -19.910
11 HZ PHE 1 HZ PHE 1 41.220 -11.991 -20.644
12 H GLY 2 HN GLY 2 37.246 -10.351 -14.349
13 HA2 GLY 2 HA2 GLY 2 34.722 -10.827 -13.482
14 HA3 GLY 2 HA1 GLY 2 35.709 -11.539 -12.213
15 H VAL 3 HN VAL 3 35.090 -8.544 -13.987
16 HA VAL 3 HA VAL 3 35.736 -7.038 -11.549
17 HB VAL 3 HB VAL 3 36.618 -5.171 -13.059
18 HG11 VAL 3 HG11 VAL 3 38.214 -7.711 -12.773
19 HG12 VAL 3 HG12 VAL 3 38.041 -6.438 -11.564
20 HG13 VAL 3 HG13 VAL 3 38.884 -6.108 -13.079
21 HG21 VAL 3 HG21 VAL 3 37.665 -5.867 -15.174
22 HG22 VAL 3 HG22 VAL 3 35.912 -6.040 -15.229
23 HG23 VAL 3 HG23 VAL 3 36.931 -7.462 -15.009
24 H ARG 4 HN ARG 4 34.338 -5.481 -10.999
25 HA ARG 4 HA ARG 4 32.260 -4.708 -12.934
26 HB2 ARG 4 HB2 ARG 4 31.906 -5.550 -10.063
27 HB3 ARG 4 HB1 ARG 4 30.690 -4.613 -10.918
28 HG2 ARG 4 HG2 ARG 4 30.447 -6.393 -12.559
29 HG3 ARG 4 HG1 ARG 4 31.701 -7.328 -11.742
30 HD2 ARG 4 HD2 ARG 4 30.315 -7.420 -9.727
31 HD3 ARG 4 HD1 ARG 4 29.065 -6.482 -10.543
32 HE ARG 4 HE ARG 4 29.583 -8.720 -12.112
33 HH11 ARG 4 HH11 ARG 4 27.265 -9.472 -8.918
34 HH12 ARG 4 HH12 ARG 4 28.269 -8.059 -8.922
35 HH21 ARG 4 HH21 ARG 4 28.263 -10.562 -12.083
36 HH22 ARG 4 HH22 ARG 4 27.262 -10.886 -10.707
37 H VAL 5 HN VAL 5 34.015 -3.867 -9.987
38 HA VAL 5 HA VAL 5 34.656 -1.910 -9.031
39 HB VAL 5 HB VAL 5 33.987 -0.457 -11.606
40 HG11 VAL 5 HG11 VAL 5 36.109 0.081 -9.524
41 HG12 VAL 5 HG12 VAL 5 34.581 0.948 -9.676
42 HG13 VAL 5 HG13 VAL 5 35.783 1.050 -10.962
43 HG21 VAL 5 HG21 VAL 5 36.543 -1.940 -10.977
44 HG22 VAL 5 HG22 VAL 5 36.257 -0.918 -12.385
45 HG23 VAL 5 HG23 VAL 5 35.343 -2.411 -12.182
46 H GLY 6 HN GLY 6 33.476 -1.087 -7.460
47 HA2 GLY 6 HA2 GLY 6 31.377 0.785 -7.898
48 HA3 GLY 6 HA1 GLY 6 30.726 -0.775 -7.416
49 H THR 7 HN THR 7 32.294 -1.713 -5.524
50 HA THR 7 HA THR 7 32.703 0.401 -3.527
51 HB THR 7 HB THR 7 31.688 -1.170 -1.798
52 HG1 THR 7 HG1 THR 7 31.433 -3.063 -2.897
53 HG21 THR 7 HG21 THR 7 29.852 0.023 -3.880
54 HG22 THR 7 HG22 THR 7 30.562 0.878 -2.509
55 HG23 THR 7 HG23 THR 7 29.393 -0.414 -2.234
56 H CYS 8 HN CYS 8 34.366 0.063 -2.124
57 HA CYS 8 HA CYS 8 36.165 -2.137 -2.721
58 HB2 CYS 8 HB2 CYS 8 36.496 0.342 -1.019
59 HB3 CYS 8 HB1 CYS 8 37.762 -0.836 -1.342
60 HA PRO 9 HA PRO 9 35.184 -4.520 0.929
61 HB2 PRO 9 HB2 PRO 9 37.638 -5.578 1.564
62 HB3 PRO 9 HB1 PRO 9 36.626 -6.171 0.229
63 HG2 PRO 9 HG2 PRO 9 38.961 -4.323 0.148
64 HG3 PRO 9 HG1 PRO 9 38.545 -5.665 -0.941
65 HD2 PRO 9 HD2 PRO 9 38.078 -3.101 -1.609
66 HD3 PRO 9 HD1 PRO 9 36.990 -4.414 -2.106
67 H SER 10 HN SER 10 35.681 -4.785 3.240
68 HA SER 10 HA SER 10 36.231 -2.251 4.482
69 HB2 SER 10 HB2 SER 10 35.706 -3.492 6.601
70 HB3 SER 10 HB1 SER 10 34.433 -3.569 5.383
71 HG SER 10 HG SER 10 35.026 -5.649 4.906
72 H GLY 11 HN GLY 11 37.995 -1.585 5.527
73 HA2 GLY 11 HA2 GLY 11 39.970 -1.830 6.814
74 HA3 GLY 11 HA1 GLY 11 40.091 -3.501 6.266
75 H TYR 12 HN TYR 12 39.631 -0.577 4.320
76 HA TYR 12 HA TYR 12 42.323 -0.891 3.188
77 HB2 TYR 12 HB2 TYR 12 39.718 -1.113 1.785
78 HB3 TYR 12 HB1 TYR 12 40.962 -0.161 0.972
79 HD1 TYR 12 HD1 TYR 12 39.965 -3.505 2.055
80 HD2 TYR 12 HD2 TYR 12 43.021 -1.196 0.214
81 HE1 TYR 12 HE1 TYR 12 41.018 -5.570 1.227
82 HE2 TYR 12 HE2 TYR 12 44.088 -3.245 -0.612
83 HH TYR 12 HH TYR 12 42.538 -6.269 -0.574
84 H VAL 13 HN VAL 13 43.024 1.022 1.901
85 HA VAL 13 HA VAL 13 42.042 3.480 3.182
86 HB VAL 13 HB VAL 13 44.639 3.023 1.675
87 HG11 VAL 13 HG11 VAL 13 43.925 5.356 1.517
88 HG12 VAL 13 HG12 VAL 13 45.335 5.203 2.565
89 HG13 VAL 13 HG13 VAL 13 43.734 5.426 3.269
90 HG21 VAL 13 HG21 VAL 13 44.110 3.281 4.633
91 HG22 VAL 13 HG22 VAL 13 45.704 3.207 3.886
92 HG23 VAL 13 HG23 VAL 13 44.616 1.822 3.782
93 H ARG 14 HN ARG 14 40.441 4.365 2.041
94 HA ARG 14 HA ARG 14 40.504 4.340 -0.894
95 HB2 ARG 14 HB2 ARG 14 38.271 5.224 0.933
96 HB3 ARG 14 HB1 ARG 14 38.159 4.922 -0.800
97 HG2 ARG 14 HG2 ARG 14 38.485 2.553 -0.457
98 HG3 ARG 14 HG1 ARG 14 38.735 2.810 1.276
99 HD2 ARG 14 HD2 ARG 14 36.431 3.755 1.391
100 HD3 ARG 14 HD1 ARG 14 36.206 3.291 -0.296
101 HE ARG 14 HE ARG 14 36.949 0.972 0.851
102 HH11 ARG 14 HH11 ARG 14 34.469 3.300 1.728
103 HH12 ARG 14 HH12 ARG 14 33.443 2.106 2.451
104 HH21 ARG 14 HH21 ARG 14 34.079 -0.083 2.494
105 HH22 ARG 14 HH22 ARG 14 35.591 -0.572 1.806
106 H ARG 15 HN ARG 15 41.802 6.016 -1.517
107 HA ARG 15 HA ARG 15 40.819 8.702 -1.008
108 HB2 ARG 15 HB2 ARG 15 43.602 7.820 -0.229
109 HB3 ARG 15 HB1 ARG 15 43.182 9.507 -0.496
110 HG2 ARG 15 HG2 ARG 15 41.687 9.531 1.334
111 HG3 ARG 15 HG1 ARG 15 41.706 7.769 1.473
112 HD2 ARG 15 HD2 ARG 15 43.061 8.588 3.235
113 HD3 ARG 15 HD1 ARG 15 44.176 7.980 2.013
114 HE ARG 15 HE ARG 15 43.849 10.671 1.482
115 HH11 ARG 15 HH11 ARG 15 45.068 8.768 4.171
116 HH12 ARG 15 HH12 ARG 15 46.165 10.002 4.695
117 HH21 ARG 15 HH21 ARG 15 45.290 12.271 2.187
118 HH22 ARG 15 HH22 ARG 15 46.290 11.983 3.573
119 H GLY 16 HN GLY 16 41.005 9.986 -2.753
120 HA2 GLY 16 HA2 GLY 16 41.765 10.807 -4.785
121 HA3 GLY 16 HA1 GLY 16 43.047 9.601 -4.760
122 H THR 17 HN THR 17 39.778 8.554 -4.314
123 HA THR 17 HA THR 17 38.278 7.375 -5.536
124 HB THR 17 HB THR 17 39.554 8.034 -8.170
125 HG1 THR 17 HG1 THR 17 38.279 10.082 -7.974
126 HG21 THR 17 HG21 THR 17 36.687 7.981 -7.207
127 HG22 THR 17 HG22 THR 17 37.493 6.707 -8.122
128 HG23 THR 17 HG23 THR 17 37.209 8.281 -8.864
129 H PHE 18 HN PHE 18 41.072 6.356 -4.827
130 HA PHE 18 HA PHE 18 40.834 3.845 -6.309
131 HB2 PHE 18 HB2 PHE 18 43.308 3.671 -6.537
132 HB3 PHE 18 HB1 PHE 18 42.614 4.973 -7.489
133 HD1 PHE 18 HD1 PHE 18 43.197 7.252 -7.071
134 HD2 PHE 18 HD2 PHE 18 44.650 4.162 -4.532
135 HE1 PHE 18 HE1 PHE 18 44.811 8.825 -6.084
136 HE2 PHE 18 HE2 PHE 18 46.263 5.730 -3.538
137 HZ PHE 18 HZ PHE 18 46.345 8.067 -4.314
138 H CYS 19 HN CYS 19 41.034 2.063 -5.103
139 HA CYS 19 HA CYS 19 41.701 2.405 -2.261
140 HB2 CYS 19 HB2 CYS 19 40.181 0.183 -3.651
141 HB3 CYS 19 HB1 CYS 19 40.481 0.284 -1.914
142 H PHE 20 HN PHE 20 43.560 1.626 -1.512
143 HA PHE 20 HA PHE 20 44.848 -0.577 -2.959
144 HB2 PHE 20 HB2 PHE 20 47.033 0.464 -2.722
145 HB3 PHE 20 HB1 PHE 20 45.940 1.584 -3.533
146 HD1 PHE 20 HD1 PHE 20 44.992 3.516 -2.232
147 HD2 PHE 20 HD2 PHE 20 48.079 1.020 -0.699
148 HE1 PHE 20 HE1 PHE 20 45.540 5.229 -0.553
149 HE2 PHE 20 HE2 PHE 20 48.634 2.729 0.978
150 HZ PHE 20 HZ PHE 20 47.361 4.829 1.057
151 HA PRO 21 HA PRO 21 45.394 -2.354 1.120
152 HB2 PRO 21 HB2 PRO 21 47.882 -3.695 0.510
153 HB3 PRO 21 HB1 PRO 21 46.248 -4.388 0.571
154 HG2 PRO 21 HG2 PRO 21 47.706 -4.155 -1.716
155 HG3 PRO 21 HG1 PRO 21 45.933 -4.181 -1.669
156 HD2 PRO 21 HD2 PRO 21 47.780 -1.834 -1.914
157 HD3 PRO 21 HD1 PRO 21 46.252 -2.167 -2.759
158 H ASP 22 HN ASP 22 46.157 -1.756 3.007
159 HA ASP 22 HA ASP 22 48.861 -1.006 3.535
160 HB2 ASP 22 HB2 ASP 22 47.907 1.064 2.400
161 HB3 ASP 22 HB1 ASP 22 46.824 1.222 3.780
162 H ASP 23 HN ASP 23 45.501 -0.561 4.660
163 HA ASP 23 HA ASP 23 46.289 -1.041 7.418
164 HB2 ASP 23 HB2 ASP 23 44.658 0.782 6.637
165 HB3 ASP 23 HB1 ASP 23 43.492 -0.517 6.410
166 H ASP 24 HN ASP 24 45.425 -2.927 4.799
167 HA ASP 24 HA ASP 24 43.978 -4.909 6.394
168 HB2 ASP 24 HB2 ASP 24 43.661 -6.080 4.169
169 HB3 ASP 24 HB1 ASP 24 42.889 -4.508 4.317
170 H TYR 25 HN TYR 25 45.542 -5.777 7.670
171 HA TYR 25 HA TYR 25 47.437 -7.569 6.333
172 HB2 TYR 25 HB2 TYR 25 48.103 -5.495 8.401
173 HB3 TYR 25 HB1 TYR 25 49.048 -6.976 8.301
174 HD1 TYR 25 HD1 TYR 25 48.202 -3.828 6.631
175 HD2 TYR 25 HD2 TYR 25 50.490 -7.406 6.395
176 HE1 TYR 25 HE1 TYR 25 49.554 -2.839 4.831
177 HE2 TYR 25 HE2 TYR 25 51.847 -6.427 4.594
178 HH TYR 25 HH TYR 25 51.780 -3.123 3.830
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 28.759 -8.994 -17.205
2 H2 PHE 1 HT2 PHE 1 27.690 -9.625 -16.055
3 H3 PHE 1 HT3 PHE 1 29.353 -9.888 -15.896
4 HA PHE 1 HA PHE 1 27.999 -7.259 -15.740
5 HB2 PHE 1 HB2 PHE 1 29.161 -9.059 -13.605
6 HB3 PHE 1 HB1 PHE 1 28.769 -7.365 -13.335
7 HD1 PHE 1 HD1 PHE 1 26.470 -6.622 -13.212
8 HD2 PHE 1 HD2 PHE 1 27.422 -10.718 -13.871
9 HE1 PHE 1 HE1 PHE 1 24.153 -7.243 -12.667
10 HE2 PHE 1 HE2 PHE 1 25.106 -11.347 -13.328
11 HZ PHE 1 HZ PHE 1 23.469 -9.608 -12.726
12 H GLY 2 HN GLY 2 29.298 -5.490 -15.606
13 HA2 GLY 2 HA2 GLY 2 32.172 -5.753 -15.306
14 HA3 GLY 2 HA1 GLY 2 31.641 -5.251 -16.904
15 H VAL 3 HN VAL 3 32.024 -4.343 -13.584
16 HA VAL 3 HA VAL 3 31.647 -1.538 -14.323
17 HB VAL 3 HB VAL 3 30.549 -1.135 -12.049
18 HG11 VAL 3 HG11 VAL 3 29.017 -2.616 -14.179
19 HG12 VAL 3 HG12 VAL 3 29.363 -0.887 -14.146
20 HG13 VAL 3 HG13 VAL 3 28.308 -1.598 -12.925
21 HG21 VAL 3 HG21 VAL 3 30.934 -3.320 -11.025
22 HG22 VAL 3 HG22 VAL 3 29.956 -4.093 -12.272
23 HG23 VAL 3 HG23 VAL 3 29.208 -2.979 -11.127
24 H ARG 4 HN ARG 4 33.370 -0.409 -13.809
25 HA ARG 4 HA ARG 4 35.205 -1.420 -11.755
26 HB2 ARG 4 HB2 ARG 4 35.574 0.501 -14.052
27 HB3 ARG 4 HB1 ARG 4 36.779 0.312 -12.789
28 HG2 ARG 4 HG2 ARG 4 35.815 -2.104 -14.250
29 HG3 ARG 4 HG1 ARG 4 36.973 -1.024 -15.028
30 HD2 ARG 4 HD2 ARG 4 38.495 -1.290 -13.128
31 HD3 ARG 4 HD1 ARG 4 37.335 -2.365 -12.347
32 HE ARG 4 HE ARG 4 37.905 -3.392 -14.882
33 HH11 ARG 4 HH11 ARG 4 40.649 -4.233 -12.072
34 HH12 ARG 4 HH12 ARG 4 39.569 -2.901 -11.827
35 HH21 ARG 4 HH21 ARG 4 39.330 -5.128 -15.179
36 HH22 ARG 4 HH22 ARG 4 40.514 -5.491 -13.970
37 H VAL 5 HN VAL 5 35.778 -0.264 -9.985
38 HA VAL 5 HA VAL 5 35.681 1.226 -8.275
39 HB VAL 5 HB VAL 5 34.875 3.390 -10.238
40 HG11 VAL 5 HG11 VAL 5 36.493 3.530 -7.691
41 HG12 VAL 5 HG12 VAL 5 34.799 3.992 -7.855
42 HG13 VAL 5 HG13 VAL 5 36.043 4.890 -8.722
43 HG21 VAL 5 HG21 VAL 5 36.819 2.224 -11.164
44 HG22 VAL 5 HG22 VAL 5 37.681 2.447 -9.640
45 HG23 VAL 5 HG23 VAL 5 37.244 3.847 -10.619
46 H GLY 6 HN GLY 6 34.139 0.977 -6.827
47 HA2 GLY 6 HA2 GLY 6 31.619 2.308 -7.015
48 HA3 GLY 6 HA1 GLY 6 31.445 0.576 -7.259
49 H THR 7 HN THR 7 32.518 -0.802 -5.548
50 HA THR 7 HA THR 7 32.441 0.455 -2.893
51 HB THR 7 HB THR 7 31.286 -1.651 -2.046
52 HG1 THR 7 HG1 THR 7 30.050 -2.034 -4.474
53 HG21 THR 7 HG21 THR 7 29.728 0.173 -3.884
54 HG22 THR 7 HG22 THR 7 30.124 0.494 -2.196
55 HG23 THR 7 HG23 THR 7 29.041 -0.836 -2.609
56 H CYS 8 HN CYS 8 34.261 0.068 -1.855
57 HA CYS 8 HA CYS 8 35.953 -2.175 -2.626
58 HB2 CYS 8 HB2 CYS 8 36.437 0.289 -0.942
59 HB3 CYS 8 HB1 CYS 8 37.635 -0.976 -1.189
60 HA PRO 9 HA PRO 9 35.036 -4.643 0.981
61 HB2 PRO 9 HB2 PRO 9 37.504 -5.706 1.564
62 HB3 PRO 9 HB1 PRO 9 36.468 -6.284 0.242
63 HG2 PRO 9 HG2 PRO 9 38.792 -4.422 0.141
64 HG3 PRO 9 HG1 PRO 9 38.368 -5.759 -0.954
65 HD2 PRO 9 HD2 PRO 9 37.871 -3.208 -1.612
66 HD3 PRO 9 HD1 PRO 9 36.758 -4.515 -2.062
67 H SER 10 HN SER 10 35.560 -4.958 3.279
68 HA SER 10 HA SER 10 36.114 -2.450 4.570
69 HB2 SER 10 HB2 SER 10 34.341 -4.059 5.324
70 HB3 SER 10 HB1 SER 10 35.624 -5.143 5.861
71 HG SER 10 HG SER 10 36.315 -3.500 7.285
72 H GLY 11 HN GLY 11 37.936 -1.767 5.466
73 HA2 GLY 11 HA2 GLY 11 39.923 -2.037 6.757
74 HA3 GLY 11 HA1 GLY 11 40.042 -3.695 6.170
75 H TYR 12 HN TYR 12 39.537 -0.718 4.309
76 HA TYR 12 HA TYR 12 42.220 -0.973 3.151
77 HB2 TYR 12 HB2 TYR 12 39.656 -1.364 1.754
78 HB3 TYR 12 HB1 TYR 12 40.755 -0.237 0.954
79 HD1 TYR 12 HD1 TYR 12 42.937 -0.990 0.152
80 HD2 TYR 12 HD2 TYR 12 40.169 -3.716 1.880
81 HE1 TYR 12 HE1 TYR 12 44.225 -2.865 -0.767
82 HE2 TYR 12 HE2 TYR 12 41.446 -5.606 0.958
83 HH TYR 12 HH TYR 12 43.028 -6.041 -0.875
84 H VAL 13 HN VAL 13 42.926 0.959 1.957
85 HA VAL 13 HA VAL 13 41.830 3.381 3.212
86 HB VAL 13 HB VAL 13 44.506 2.992 1.830
87 HG11 VAL 13 HG11 VAL 13 43.752 5.314 1.663
88 HG12 VAL 13 HG12 VAL 13 45.114 5.174 2.776
89 HG13 VAL 13 HG13 VAL 13 43.478 5.358 3.406
90 HG21 VAL 13 HG21 VAL 13 43.774 3.126 4.749
91 HG22 VAL 13 HG22 VAL 13 45.422 3.246 4.138
92 HG23 VAL 13 HG23 VAL 13 44.493 1.767 3.884
93 H ARG 14 HN ARG 14 40.371 4.420 2.025
94 HA ARG 14 HA ARG 14 40.482 4.315 -0.906
95 HB2 ARG 14 HB2 ARG 14 38.286 5.382 0.869
96 HB3 ARG 14 HB1 ARG 14 38.180 5.075 -0.863
97 HG2 ARG 14 HG2 ARG 14 38.373 2.680 -0.481
98 HG3 ARG 14 HG1 ARG 14 38.545 2.958 1.257
99 HD2 ARG 14 HD2 ARG 14 36.303 4.014 1.259
100 HD3 ARG 14 HD1 ARG 14 36.139 3.599 -0.446
101 HE ARG 14 HE ARG 14 36.696 1.224 0.759
102 HH11 ARG 14 HH11 ARG 14 34.216 3.657 1.274
103 HH12 ARG 14 HH12 ARG 14 33.052 2.512 1.851
104 HH21 ARG 14 HH21 ARG 14 33.584 0.301 1.990
105 HH22 ARG 14 HH22 ARG 14 35.157 -0.254 1.520
106 H ARG 15 HN ARG 15 41.897 5.888 -1.548
107 HA ARG 15 HA ARG 15 41.090 8.646 -1.102
108 HB2 ARG 15 HB2 ARG 15 43.808 7.597 -0.298
109 HB3 ARG 15 HB1 ARG 15 43.494 9.303 -0.589
110 HG2 ARG 15 HG2 ARG 15 42.033 9.460 1.245
111 HG3 ARG 15 HG1 ARG 15 41.881 7.702 1.385
112 HD2 ARG 15 HD2 ARG 15 44.245 7.573 2.048
113 HD3 ARG 15 HD1 ARG 15 44.378 9.326 1.918
114 HE ARG 15 HE ARG 15 42.286 8.759 3.672
115 HH11 ARG 15 HH11 ARG 15 45.775 8.370 3.585
116 HH12 ARG 15 HH12 ARG 15 45.942 8.458 5.307
117 HH21 ARG 15 HH21 ARG 15 42.528 8.871 5.922
118 HH22 ARG 15 HH22 ARG 15 44.104 8.743 6.628
119 H GLY 16 HN GLY 16 41.466 9.942 -2.821
120 HA2 GLY 16 HA2 GLY 16 42.304 10.670 -4.857
121 HA3 GLY 16 HA1 GLY 16 43.426 9.311 -4.848
122 H THR 17 HN THR 17 40.051 8.698 -4.371
123 HA THR 17 HA THR 17 38.399 7.718 -5.574
124 HB THR 17 HB THR 17 39.734 8.191 -8.220
125 HG1 THR 17 HG1 THR 17 39.911 10.249 -7.767
126 HG21 THR 17 HG21 THR 17 36.887 8.512 -7.247
127 HG22 THR 17 HG22 THR 17 37.520 7.134 -8.148
128 HG23 THR 17 HG23 THR 17 37.438 8.723 -8.909
129 H PHE 18 HN PHE 18 41.048 6.353 -4.879
130 HA PHE 18 HA PHE 18 40.419 3.845 -6.222
131 HB2 PHE 18 HB2 PHE 18 42.806 3.343 -6.700
132 HB3 PHE 18 HB1 PHE 18 42.187 4.686 -7.647
133 HD1 PHE 18 HD1 PHE 18 43.123 6.867 -7.448
134 HD2 PHE 18 HD2 PHE 18 44.394 3.747 -4.850
135 HE1 PHE 18 HE1 PHE 18 45.025 8.249 -6.726
136 HE2 PHE 18 HE2 PHE 18 46.298 5.124 -4.120
137 HZ PHE 18 HZ PHE 18 46.614 7.379 -5.058
138 H CYS 19 HN CYS 19 40.886 2.009 -5.050
139 HA CYS 19 HA CYS 19 41.588 2.468 -2.234
140 HB2 CYS 19 HB2 CYS 19 40.184 0.122 -3.542
141 HB3 CYS 19 HB1 CYS 19 40.512 0.279 -1.815
142 H PHE 20 HN PHE 20 43.482 1.789 -1.468
143 HA PHE 20 HA PHE 20 44.921 -0.301 -2.944
144 HB2 PHE 20 HB2 PHE 20 47.028 0.879 -2.632
145 HB3 PHE 20 HB1 PHE 20 45.874 1.944 -3.434
146 HD1 PHE 20 HD1 PHE 20 48.022 1.472 -0.599
147 HD2 PHE 20 HD2 PHE 20 44.737 3.744 -2.070
148 HE1 PHE 20 HE1 PHE 20 48.417 3.160 1.143
149 HE2 PHE 20 HE2 PHE 20 45.129 5.439 -0.328
150 HZ PHE 20 HZ PHE 20 46.967 5.139 1.284
151 HA PRO 21 HA PRO 21 45.530 -2.155 1.098
152 HB2 PRO 21 HB2 PRO 21 48.098 -3.326 0.442
153 HB3 PRO 21 HB1 PRO 21 46.515 -4.124 0.527
154 HG2 PRO 21 HG2 PRO 21 47.889 -3.793 -1.785
155 HG3 PRO 21 HG1 PRO 21 46.118 -3.879 -1.699
156 HD2 PRO 21 HD2 PRO 21 47.878 -1.461 -1.926
157 HD3 PRO 21 HD1 PRO 21 46.363 -1.844 -2.773
158 H ASP 22 HN ASP 22 46.274 -1.573 2.996
159 HA ASP 22 HA ASP 22 48.927 -0.678 3.544
160 HB2 ASP 22 HB2 ASP 22 47.834 1.367 2.473
161 HB3 ASP 22 HB1 ASP 22 46.774 1.425 3.877
162 H ASP 23 HN ASP 23 45.547 -0.457 4.661
163 HA ASP 23 HA ASP 23 46.255 -0.840 7.425
164 HB2 ASP 23 HB2 ASP 23 44.316 0.566 6.486
165 HB3 ASP 23 HB1 ASP 23 43.474 -0.962 6.259
166 H ASP 24 HN ASP 24 45.262 -2.840 4.742
167 HA ASP 24 HA ASP 24 45.490 -5.213 6.441
168 HB2 ASP 24 HB2 ASP 24 43.137 -4.582 4.654
169 HB3 ASP 24 HB1 ASP 24 43.522 -6.226 5.156
170 H TYR 25 HN TYR 25 47.238 -6.154 5.590
171 HA TYR 25 HA TYR 25 47.489 -6.330 2.666
172 HB2 TYR 25 HB2 TYR 25 49.317 -5.245 4.188
173 HB3 TYR 25 HB1 TYR 25 49.741 -6.909 4.569
174 HD1 TYR 25 HD1 TYR 25 50.769 -8.343 2.904
175 HD2 TYR 25 HD2 TYR 25 49.685 -4.341 1.954
176 HE1 TYR 25 HE1 TYR 25 52.139 -8.462 0.864
177 HE2 TYR 25 HE2 TYR 25 51.050 -4.448 -0.089
178 HH TYR 25 HH TYR 25 52.274 -7.356 -1.331
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 20.145 -5.220 -17.894
2 H2 PHE 1 HT2 PHE 1 19.853 -6.858 -18.198
3 H3 PHE 1 HT3 PHE 1 21.328 -6.164 -18.651
4 HA PHE 1 HA PHE 1 20.358 -6.462 -15.868
5 HB2 PHE 1 HB2 PHE 1 22.405 -8.030 -17.452
6 HB3 PHE 1 HB1 PHE 1 22.257 -8.113 -15.702
7 HD1 PHE 1 HD1 PHE 1 20.730 -9.016 -18.896
8 HD2 PHE 1 HD2 PHE 1 20.393 -9.243 -14.660
9 HE1 PHE 1 HE1 PHE 1 19.025 -10.773 -19.130
10 HE2 PHE 1 HE2 PHE 1 18.687 -11.002 -14.886
11 HZ PHE 1 HZ PHE 1 18.002 -11.769 -17.124
12 H GLY 2 HN GLY 2 21.749 -5.720 -14.272
13 HA2 GLY 2 HA2 GLY 2 24.069 -4.135 -15.171
14 HA3 GLY 2 HA1 GLY 2 22.876 -3.437 -14.088
15 H VAL 3 HN VAL 3 24.691 -3.075 -12.655
16 HA VAL 3 HA VAL 3 25.146 -5.388 -10.924
17 HB VAL 3 HB VAL 3 27.555 -4.602 -10.575
18 HG11 VAL 3 HG11 VAL 3 26.774 -5.868 -13.196
19 HG12 VAL 3 HG12 VAL 3 27.005 -6.694 -11.654
20 HG13 VAL 3 HG13 VAL 3 28.376 -5.937 -12.465
21 HG21 VAL 3 HG21 VAL 3 28.652 -3.517 -12.488
22 HG22 VAL 3 HG22 VAL 3 27.444 -2.461 -11.754
23 HG23 VAL 3 HG23 VAL 3 27.083 -3.298 -13.263
24 H ARG 4 HN ARG 4 25.719 -4.880 -8.752
25 HA ARG 4 HA ARG 4 25.165 -2.098 -7.951
26 HB2 ARG 4 HB2 ARG 4 23.324 -3.969 -7.599
27 HB3 ARG 4 HB1 ARG 4 24.305 -4.360 -6.195
28 HG2 ARG 4 HG2 ARG 4 24.052 -2.060 -5.384
29 HG3 ARG 4 HG1 ARG 4 23.047 -1.685 -6.787
30 HD2 ARG 4 HD2 ARG 4 21.426 -3.369 -6.077
31 HD3 ARG 4 HD1 ARG 4 22.434 -3.765 -4.687
32 HE ARG 4 HE ARG 4 21.820 -1.006 -4.687
33 HH11 ARG 4 HH11 ARG 4 19.157 -3.448 -2.930
34 HH12 ARG 4 HH12 ARG 4 20.305 -4.109 -4.044
35 HH21 ARG 4 HH21 ARG 4 20.307 -0.163 -3.224
36 HH22 ARG 4 HH22 ARG 4 19.160 -1.215 -2.467
37 H VAL 5 HN VAL 5 27.355 -4.608 -7.896
38 HA VAL 5 HA VAL 5 28.634 -3.597 -5.442
39 HB VAL 5 HB VAL 5 29.862 -5.833 -5.370
40 HG11 VAL 5 HG11 VAL 5 28.037 -6.931 -4.165
41 HG12 VAL 5 HG12 VAL 5 26.892 -5.788 -4.866
42 HG13 VAL 5 HG13 VAL 5 28.150 -5.216 -3.770
43 HG21 VAL 5 HG21 VAL 5 28.886 -7.758 -6.405
44 HG22 VAL 5 HG22 VAL 5 29.187 -6.571 -7.674
45 HG23 VAL 5 HG23 VAL 5 27.552 -6.808 -7.055
46 H GLY 6 HN GLY 6 30.390 -2.459 -5.761
47 HA2 GLY 6 HA2 GLY 6 32.452 -3.291 -7.597
48 HA3 GLY 6 HA1 GLY 6 31.620 -1.831 -8.103
49 H THR 7 HN THR 7 32.633 -3.009 -4.919
50 HA THR 7 HA THR 7 34.484 -0.752 -4.649
51 HB THR 7 HB THR 7 33.637 -0.425 -2.268
52 HG1 THR 7 HG1 THR 7 32.175 -2.468 -2.778
53 HG21 THR 7 HG21 THR 7 33.202 1.212 -4.028
54 HG22 THR 7 HG22 THR 7 31.810 1.068 -2.953
55 HG23 THR 7 HG23 THR 7 31.781 0.300 -4.540
56 H CYS 8 HN CYS 8 35.896 -0.978 -2.692
57 HA CYS 8 HA CYS 8 36.837 -3.714 -2.496
58 HB2 CYS 8 HB2 CYS 8 38.730 -2.666 -1.214
59 HB3 CYS 8 HB1 CYS 8 38.524 -2.050 -2.855
60 HA PRO 9 HA PRO 9 35.013 -4.745 1.439
61 HB2 PRO 9 HB2 PRO 9 37.014 -6.235 2.596
62 HB3 PRO 9 HB1 PRO 9 35.933 -6.848 1.325
63 HG2 PRO 9 HG2 PRO 9 38.705 -5.780 1.087
64 HG3 PRO 9 HG1 PRO 9 37.973 -7.204 0.311
65 HD2 PRO 9 HD2 PRO 9 38.285 -4.905 -1.025
66 HD3 PRO 9 HD1 PRO 9 36.856 -5.931 -1.272
67 H SER 10 HN SER 10 35.275 -4.571 3.793
68 HA SER 10 HA SER 10 36.202 -2.033 4.591
69 HB2 SER 10 HB2 SER 10 35.432 -4.416 6.288
70 HB3 SER 10 HB1 SER 10 35.618 -2.764 6.879
71 HG SER 10 HG SER 10 34.001 -2.666 4.797
72 H GLY 11 HN GLY 11 37.914 -1.361 5.831
73 HA2 GLY 11 HA2 GLY 11 39.888 -1.646 7.122
74 HA3 GLY 11 HA1 GLY 11 40.008 -3.299 6.525
75 H TYR 12 HN TYR 12 39.272 -1.004 4.126
76 HA TYR 12 HA TYR 12 42.031 -1.103 3.115
77 HB2 TYR 12 HB2 TYR 12 39.390 -1.357 1.874
78 HB3 TYR 12 HB1 TYR 12 40.456 -0.239 1.020
79 HD1 TYR 12 HD1 TYR 12 39.876 -3.728 1.946
80 HD2 TYR 12 HD2 TYR 12 42.516 -1.023 0.001
81 HE1 TYR 12 HE1 TYR 12 41.026 -5.625 0.881
82 HE2 TYR 12 HE2 TYR 12 43.676 -2.904 -1.064
83 HH TYR 12 HH TYR 12 42.417 -6.049 -1.117
84 H VAL 13 HN VAL 13 42.651 0.831 1.711
85 HA VAL 13 HA VAL 13 41.779 3.282 3.093
86 HB VAL 13 HB VAL 13 43.948 4.309 2.264
87 HG11 VAL 13 HG11 VAL 13 43.597 3.711 4.579
88 HG12 VAL 13 HG12 VAL 13 45.258 3.359 4.104
89 HG13 VAL 13 HG13 VAL 13 44.086 2.050 4.248
90 HG21 VAL 13 HG21 VAL 13 44.470 2.518 0.586
91 HG22 VAL 13 HG22 VAL 13 44.854 1.448 1.934
92 HG23 VAL 13 HG23 VAL 13 45.796 2.915 1.677
93 H ARG 14 HN ARG 14 40.389 4.455 1.964
94 HA ARG 14 HA ARG 14 40.515 4.453 -0.974
95 HB2 ARG 14 HB2 ARG 14 38.314 5.395 0.866
96 HB3 ARG 14 HB1 ARG 14 38.222 5.322 -0.893
97 HG2 ARG 14 HG2 ARG 14 38.418 2.877 -0.803
98 HG3 ARG 14 HG1 ARG 14 38.484 2.954 0.963
99 HD2 ARG 14 HD2 ARG 14 36.249 2.420 0.424
100 HD3 ARG 14 HD1 ARG 14 36.242 4.127 0.859
101 HE ARG 14 HE ARG 14 36.569 3.843 -1.933
102 HH11 ARG 14 HH11 ARG 14 34.091 3.532 0.537
103 HH12 ARG 14 HH12 ARG 14 32.794 3.878 -0.557
104 HH21 ARG 14 HH21 ARG 14 33.227 4.307 -2.755
105 HH22 ARG 14 HH22 ARG 14 34.854 4.292 -3.348
106 H ARG 15 HN ARG 15 41.971 6.025 -1.508
107 HA ARG 15 HA ARG 15 41.218 8.774 -0.928
108 HB2 ARG 15 HB2 ARG 15 43.916 7.640 -0.160
109 HB3 ARG 15 HB1 ARG 15 43.603 9.362 -0.316
110 HG2 ARG 15 HG2 ARG 15 41.771 7.821 1.440
111 HG3 ARG 15 HG1 ARG 15 43.431 8.067 2.014
112 HD2 ARG 15 HD2 ARG 15 43.174 10.488 1.703
113 HD3 ARG 15 HD1 ARG 15 41.523 10.237 1.137
114 HE ARG 15 HE ARG 15 41.721 9.057 3.644
115 HH11 ARG 15 HH11 ARG 15 41.925 12.298 2.308
116 HH12 ARG 15 HH12 ARG 15 41.362 13.056 3.761
117 HH21 ARG 15 HH21 ARG 15 40.989 10.069 5.535
118 HH22 ARG 15 HH22 ARG 15 40.834 11.793 5.586
119 H GLY 16 HN GLY 16 41.634 10.136 -2.582
120 HA2 GLY 16 HA2 GLY 16 42.529 10.951 -4.562
121 HA3 GLY 16 HA1 GLY 16 43.640 9.584 -4.586
122 H THR 17 HN THR 17 40.230 9.034 -4.243
123 HA THR 17 HA THR 17 38.600 8.142 -5.540
124 HB THR 17 HB THR 17 40.043 8.650 -8.120
125 HG1 THR 17 HG1 THR 17 39.988 10.767 -7.880
126 HG21 THR 17 HG21 THR 17 37.794 7.677 -8.159
127 HG22 THR 17 HG22 THR 17 37.792 9.295 -8.861
128 HG23 THR 17 HG23 THR 17 37.180 9.043 -7.227
129 H PHE 18 HN PHE 18 41.175 6.667 -4.787
130 HA PHE 18 HA PHE 18 40.551 4.248 -6.297
131 HB2 PHE 18 HB2 PHE 18 42.933 3.687 -6.631
132 HB3 PHE 18 HB1 PHE 18 42.472 5.143 -7.497
133 HD1 PHE 18 HD1 PHE 18 43.382 7.300 -6.874
134 HD2 PHE 18 HD2 PHE 18 44.463 3.771 -4.758
135 HE1 PHE 18 HE1 PHE 18 45.274 8.496 -5.853
136 HE2 PHE 18 HE2 PHE 18 46.355 4.963 -3.729
137 HZ PHE 18 HZ PHE 18 46.763 7.328 -4.276
138 H CYS 19 HN CYS 19 40.929 2.316 -5.219
139 HA CYS 19 HA CYS 19 41.515 2.582 -2.341
140 HB2 CYS 19 HB2 CYS 19 39.179 1.912 -2.881
141 HB3 CYS 19 HB1 CYS 19 39.805 0.491 -3.719
142 H PHE 20 HN PHE 20 43.397 1.743 -1.742
143 HA PHE 20 HA PHE 20 44.403 -0.622 -3.162
144 HB2 PHE 20 HB2 PHE 20 46.663 0.242 -3.120
145 HB3 PHE 20 HB1 PHE 20 45.615 1.449 -3.860
146 HD1 PHE 20 HD1 PHE 20 47.915 0.714 -1.196
147 HD2 PHE 20 HD2 PHE 20 44.961 3.475 -2.520
148 HE1 PHE 20 HE1 PHE 20 48.767 2.383 0.396
149 HE2 PHE 20 HE2 PHE 20 45.809 5.149 -0.930
150 HZ PHE 20 HZ PHE 20 47.712 4.599 0.535
151 HA PRO 21 HA PRO 21 45.087 -2.341 0.919
152 HB2 PRO 21 HB2 PRO 21 47.541 -3.722 0.242
153 HB3 PRO 21 HB1 PRO 21 45.909 -4.397 0.409
154 HG2 PRO 21 HG2 PRO 21 47.225 -4.268 -1.958
155 HG3 PRO 21 HG1 PRO 21 45.456 -4.220 -1.814
156 HD2 PRO 21 HD2 PRO 21 47.379 -1.953 -2.204
157 HD3 PRO 21 HD1 PRO 21 45.808 -2.251 -2.984
158 H ASP 22 HN ASP 22 45.853 -1.589 2.739
159 HA ASP 22 HA ASP 22 48.611 -0.943 3.195
160 HB2 ASP 22 HB2 ASP 22 47.708 1.116 2.017
161 HB3 ASP 22 HB1 ASP 22 46.629 1.343 3.390
162 H ASP 23 HN ASP 23 45.307 -0.298 4.384
163 HA ASP 23 HA ASP 23 46.137 -0.831 7.127
164 HB2 ASP 23 HB2 ASP 23 44.608 1.117 6.313
165 HB3 ASP 23 HB1 ASP 23 43.343 -0.107 6.287
166 H ASP 24 HN ASP 24 44.981 -2.595 4.527
167 HA ASP 24 HA ASP 24 43.403 -4.465 6.135
168 HB2 ASP 24 HB2 ASP 24 42.798 -3.581 3.741
169 HB3 ASP 24 HB1 ASP 24 43.930 -4.816 3.201
170 H TYR 25 HN TYR 25 46.323 -4.383 4.111
171 HA TYR 25 HA TYR 25 47.161 -6.937 5.322
172 HB2 TYR 25 HB2 TYR 25 47.655 -5.889 2.532
173 HB3 TYR 25 HB1 TYR 25 48.553 -7.237 3.221
174 HD1 TYR 25 HD1 TYR 25 47.460 -9.386 3.616
175 HD2 TYR 25 HD2 TYR 25 45.341 -6.137 1.869
176 HE1 TYR 25 HE1 TYR 25 45.695 -10.937 2.889
177 HE2 TYR 25 HE2 TYR 25 43.569 -7.678 1.139
178 HH TYR 25 HH TYR 25 43.316 -10.863 2.280
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 20.075 5.994 -4.943
2 H2 PHE 1 HT2 PHE 1 21.717 6.171 -5.309
3 H3 PHE 1 HT3 PHE 1 21.007 4.637 -5.339
4 HA PHE 1 HA PHE 1 19.620 5.256 -7.188
5 HB2 PHE 1 HB2 PHE 1 21.048 7.906 -6.905
6 HB3 PHE 1 HB1 PHE 1 20.144 7.445 -8.343
7 HD1 PHE 1 HD1 PHE 1 17.728 7.323 -8.307
8 HD2 PHE 1 HD2 PHE 1 19.921 8.440 -4.836
9 HE1 PHE 1 HE1 PHE 1 15.659 8.166 -7.276
10 HE2 PHE 1 HE2 PHE 1 17.857 9.285 -3.798
11 HZ PHE 1 HZ PHE 1 15.721 9.149 -5.018
12 H GLY 2 HN GLY 2 23.021 6.124 -6.669
13 HA2 GLY 2 HA2 GLY 2 23.766 4.327 -8.861
14 HA3 GLY 2 HA1 GLY 2 24.326 5.989 -8.940
15 H VAL 3 HN VAL 3 25.892 3.553 -8.793
16 HA VAL 3 HA VAL 3 27.407 4.158 -6.346
17 HB VAL 3 HB VAL 3 28.096 1.692 -6.311
18 HG11 VAL 3 HG11 VAL 3 26.695 2.693 -4.608
19 HG12 VAL 3 HG12 VAL 3 26.146 1.056 -4.968
20 HG13 VAL 3 HG13 VAL 3 25.264 2.442 -5.607
21 HG21 VAL 3 HG21 VAL 3 27.205 1.009 -8.486
22 HG22 VAL 3 HG22 VAL 3 25.570 1.385 -7.944
23 HG23 VAL 3 HG23 VAL 3 26.469 0.074 -7.182
24 H ARG 4 HN ARG 4 29.410 4.754 -6.731
25 HA ARG 4 HA ARG 4 30.775 3.774 -9.148
26 HB2 ARG 4 HB2 ARG 4 30.629 6.595 -8.103
27 HB3 ARG 4 HB1 ARG 4 31.913 6.071 -9.181
28 HG2 ARG 4 HG2 ARG 4 30.237 5.457 -10.864
29 HG3 ARG 4 HG1 ARG 4 28.962 6.019 -9.782
30 HD2 ARG 4 HD2 ARG 4 29.908 8.269 -9.828
31 HD3 ARG 4 HD1 ARG 4 31.200 7.711 -10.890
32 HE ARG 4 HE ARG 4 28.675 7.132 -12.026
33 HH11 ARG 4 HH11 ARG 4 30.229 10.753 -12.805
34 HH12 ARG 4 HH12 ARG 4 30.831 9.845 -11.460
35 HH21 ARG 4 HH21 ARG 4 27.903 8.338 -13.782
36 HH22 ARG 4 HH22 ARG 4 28.572 9.899 -14.118
37 H VAL 5 HN VAL 5 31.030 4.895 -5.834
38 HA VAL 5 HA VAL 5 33.769 3.816 -5.719
39 HB VAL 5 HB VAL 5 34.084 5.307 -3.674
40 HG11 VAL 5 HG11 VAL 5 34.707 7.251 -5.034
41 HG12 VAL 5 HG12 VAL 5 33.779 6.593 -6.382
42 HG13 VAL 5 HG13 VAL 5 35.195 5.729 -5.782
43 HG21 VAL 5 HG21 VAL 5 32.756 7.281 -3.419
44 HG22 VAL 5 HG22 VAL 5 31.657 5.903 -3.413
45 HG23 VAL 5 HG23 VAL 5 31.810 6.903 -4.858
46 H GLY 6 HN GLY 6 34.132 2.153 -4.437
47 HA2 GLY 6 HA2 GLY 6 33.760 1.298 -2.091
48 HA3 GLY 6 HA1 GLY 6 32.052 1.410 -2.478
49 H THR 7 HN THR 7 34.912 0.128 -4.139
50 HA THR 7 HA THR 7 33.401 -2.283 -4.842
51 HB THR 7 HB THR 7 35.412 -2.753 -6.333
52 HG1 THR 7 HG1 THR 7 36.920 -1.355 -5.424
53 HG21 THR 7 HG21 THR 7 34.683 -1.173 -8.065
54 HG22 THR 7 HG22 THR 7 33.813 -0.241 -6.846
55 HG23 THR 7 HG23 THR 7 33.308 -1.887 -7.223
56 H CYS 8 HN CYS 8 36.214 -1.233 -3.031
57 HA CYS 8 HA CYS 8 37.071 -3.960 -2.485
58 HB2 CYS 8 HB2 CYS 8 38.909 -2.861 -1.218
59 HB3 CYS 8 HB1 CYS 8 38.814 -2.334 -2.900
60 HA PRO 9 HA PRO 9 34.882 -4.381 1.382
61 HB2 PRO 9 HB2 PRO 9 36.603 -5.964 2.807
62 HB3 PRO 9 HB1 PRO 9 35.578 -6.573 1.489
63 HG2 PRO 9 HG2 PRO 9 38.462 -5.824 1.444
64 HG3 PRO 9 HG1 PRO 9 37.645 -7.219 0.700
65 HD2 PRO 9 HD2 PRO 9 38.339 -5.044 -0.730
66 HD3 PRO 9 HD1 PRO 9 36.877 -5.984 -1.091
67 H SER 10 HN SER 10 35.024 -3.990 3.726
68 HA SER 10 HA SER 10 36.199 -1.508 4.346
69 HB2 SER 10 HB2 SER 10 34.148 -2.483 5.420
70 HB3 SER 10 HB1 SER 10 35.203 -3.568 6.326
71 HG SER 10 HG SER 10 35.158 -1.948 7.691
72 H GLY 11 HN GLY 11 37.963 -0.907 5.518
73 HA2 GLY 11 HA2 GLY 11 39.769 -1.395 7.063
74 HA3 GLY 11 HA1 GLY 11 39.823 -3.026 6.398
75 H TYR 12 HN TYR 12 39.353 -0.837 3.927
76 HA TYR 12 HA TYR 12 42.192 -0.926 3.179
77 HB2 TYR 12 HB2 TYR 12 39.633 -1.035 1.683
78 HB3 TYR 12 HB1 TYR 12 40.953 -0.156 0.906
79 HD1 TYR 12 HD1 TYR 12 39.805 -3.441 2.086
80 HD2 TYR 12 HD2 TYR 12 42.913 -1.304 0.126
81 HE1 TYR 12 HE1 TYR 12 40.773 -5.569 1.315
82 HE2 TYR 12 HE2 TYR 12 43.892 -3.417 -0.648
83 HH TYR 12 HH TYR 12 42.239 -6.378 -0.490
84 H VAL 13 HN VAL 13 42.976 0.969 1.846
85 HA VAL 13 HA VAL 13 42.099 3.455 3.146
86 HB VAL 13 HB VAL 13 44.671 2.914 1.625
87 HG11 VAL 13 HG11 VAL 13 43.855 5.327 3.252
88 HG12 VAL 13 HG12 VAL 13 44.058 5.274 1.501
89 HG13 VAL 13 HG13 VAL 13 45.452 5.052 2.557
90 HG21 VAL 13 HG21 VAL 13 44.608 1.683 3.714
91 HG22 VAL 13 HG22 VAL 13 44.165 3.148 4.589
92 HG23 VAL 13 HG23 VAL 13 45.751 3.020 3.832
93 H ARG 14 HN ARG 14 40.479 4.322 2.009
94 HA ARG 14 HA ARG 14 40.592 4.398 -0.925
95 HB2 ARG 14 HB2 ARG 14 38.322 5.175 0.907
96 HB3 ARG 14 HB1 ARG 14 38.238 4.983 -0.842
97 HG2 ARG 14 HG2 ARG 14 38.606 2.591 -0.632
98 HG3 ARG 14 HG1 ARG 14 38.772 2.754 1.123
99 HD2 ARG 14 HD2 ARG 14 36.458 3.644 1.204
100 HD3 ARG 14 HD1 ARG 14 36.311 3.330 -0.525
101 HE ARG 14 HE ARG 14 37.058 0.931 0.536
102 HH11 ARG 14 HH11 ARG 14 34.391 3.128 1.160
103 HH12 ARG 14 HH12 ARG 14 33.313 1.864 1.652
104 HH21 ARG 14 HH21 ARG 14 34.016 -0.305 1.667
105 HH22 ARG 14 HH22 ARG 14 35.631 -0.707 1.187
106 H ARG 15 HN ARG 15 41.886 6.105 -1.459
107 HA ARG 15 HA ARG 15 40.875 8.765 -0.862
108 HB2 ARG 15 HB2 ARG 15 43.658 7.876 -0.088
109 HB3 ARG 15 HB1 ARG 15 43.219 9.567 -0.281
110 HG2 ARG 15 HG2 ARG 15 41.745 9.508 1.546
111 HG3 ARG 15 HG1 ARG 15 41.714 7.739 1.576
112 HD2 ARG 15 HD2 ARG 15 44.070 7.726 2.264
113 HD3 ARG 15 HD1 ARG 15 44.097 9.489 2.226
114 HE ARG 15 HE ARG 15 42.029 8.633 3.928
115 HH11 ARG 15 HH11 ARG 15 45.539 8.739 3.851
116 HH12 ARG 15 HH12 ARG 15 45.689 8.808 5.575
117 HH21 ARG 15 HH21 ARG 15 42.248 8.726 6.183
118 HH22 ARG 15 HH22 ARG 15 43.826 8.801 6.892
119 H GLY 16 HN GLY 16 41.056 10.097 -2.571
120 HA2 GLY 16 HA2 GLY 16 41.827 10.994 -4.566
121 HA3 GLY 16 HA1 GLY 16 43.134 9.812 -4.559
122 H THR 17 HN THR 17 39.735 8.998 -4.293
123 HA THR 17 HA THR 17 38.291 7.765 -5.499
124 HB THR 17 HB THR 17 38.188 7.996 -7.956
125 HG1 THR 17 HG1 THR 17 39.709 9.457 -8.944
126 HG21 THR 17 HG21 THR 17 37.119 9.680 -6.554
127 HG22 THR 17 HG22 THR 17 37.764 10.411 -8.024
128 HG23 THR 17 HG23 THR 17 38.620 10.603 -6.494
129 H PHE 18 HN PHE 18 41.034 6.636 -4.802
130 HA PHE 18 HA PHE 18 40.705 4.181 -6.362
131 HB2 PHE 18 HB2 PHE 18 43.129 3.877 -6.607
132 HB3 PHE 18 HB1 PHE 18 42.589 5.339 -7.413
133 HD1 PHE 18 HD1 PHE 18 44.461 4.004 -4.540
134 HD2 PHE 18 HD2 PHE 18 43.386 7.487 -6.733
135 HE1 PHE 18 HE1 PHE 18 46.203 5.279 -3.361
136 HE2 PHE 18 HE2 PHE 18 45.123 8.769 -5.556
137 HZ PHE 18 HZ PHE 18 46.535 7.665 -3.867
138 H CYS 19 HN CYS 19 41.203 2.268 -5.304
139 HA CYS 19 HA CYS 19 41.622 2.510 -2.395
140 HB2 CYS 19 HB2 CYS 19 39.368 1.688 -3.044
141 HB3 CYS 19 HB1 CYS 19 40.127 0.338 -3.890
142 H PHE 20 HN PHE 20 43.457 1.672 -1.638
143 HA PHE 20 HA PHE 20 44.727 -0.509 -3.131
144 HB2 PHE 20 HB2 PHE 20 46.930 0.478 -2.811
145 HB3 PHE 20 HB1 PHE 20 45.876 1.637 -3.621
146 HD1 PHE 20 HD1 PHE 20 47.939 0.968 -0.751
147 HD2 PHE 20 HD2 PHE 20 44.933 3.555 -2.296
148 HE1 PHE 20 HE1 PHE 20 48.484 2.628 0.980
149 HE2 PHE 20 HE2 PHE 20 45.475 5.220 -0.568
150 HZ PHE 20 HZ PHE 20 47.248 4.752 1.075
151 HA PRO 21 HA PRO 21 45.190 -2.397 0.911
152 HB2 PRO 21 HB2 PRO 21 47.582 -3.868 0.275
153 HB3 PRO 21 HB1 PRO 21 45.906 -4.454 0.263
154 HG2 PRO 21 HG2 PRO 21 47.453 -4.201 -1.976
155 HG3 PRO 21 HG1 PRO 21 45.679 -4.151 -1.974
156 HD2 PRO 21 HD2 PRO 21 47.631 -1.880 -2.066
157 HD3 PRO 21 HD1 PRO 21 46.117 -2.108 -2.968
158 H ASP 22 HN ASP 22 45.981 -1.895 2.804
159 HA ASP 22 HA ASP 22 48.729 -1.308 3.343
160 HB2 ASP 22 HB2 ASP 22 47.851 0.856 2.328
161 HB3 ASP 22 HB1 ASP 22 46.785 0.982 3.725
162 H ASP 23 HN ASP 23 45.412 -0.730 4.524
163 HA ASP 23 HA ASP 23 46.184 -1.502 7.228
164 HB2 ASP 23 HB2 ASP 23 44.736 0.546 6.626
165 HB3 ASP 23 HB1 ASP 23 43.440 -0.611 6.350
166 H ASP 24 HN ASP 24 44.851 -2.903 4.434
167 HA ASP 24 HA ASP 24 43.887 -5.205 5.996
168 HB2 ASP 24 HB2 ASP 24 42.090 -3.701 4.836
169 HB3 ASP 24 HB1 ASP 24 42.634 -4.486 3.358
170 H TYR 25 HN TYR 25 45.502 -6.626 5.722
171 HA TYR 25 HA TYR 25 46.940 -8.111 4.809
172 HB2 TYR 25 HB2 TYR 25 45.152 -7.772 2.396
173 HB3 TYR 25 HB1 TYR 25 46.462 -8.944 2.471
174 HD1 TYR 25 HD1 TYR 25 46.298 -10.905 3.910
175 HD2 TYR 25 HD2 TYR 25 43.121 -8.085 3.682
176 HE1 TYR 25 HE1 TYR 25 44.793 -12.522 4.989
177 HE2 TYR 25 HE2 TYR 25 41.607 -9.694 4.762
178 HH TYR 25 HH TYR 25 42.709 -12.512 6.293
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 29.383 12.100 -21.389
2 H2 PHE 1 HT2 PHE 1 31.010 11.891 -21.796
3 H3 PHE 1 HT3 PHE 1 30.593 12.615 -20.326
4 HA PHE 1 HA PHE 1 29.612 10.577 -19.540
5 HB2 PHE 1 HB2 PHE 1 30.487 9.545 -22.245
6 HB3 PHE 1 HB1 PHE 1 30.039 8.493 -20.906
7 HD1 PHE 1 HD1 PHE 1 28.825 10.841 -23.427
8 HD2 PHE 1 HD2 PHE 1 27.735 8.300 -20.192
9 HE1 PHE 1 HE1 PHE 1 26.464 10.999 -24.103
10 HE2 PHE 1 HE2 PHE 1 25.373 8.453 -20.862
11 HZ PHE 1 HZ PHE 1 24.735 9.804 -22.820
12 H GLY 2 HN GLY 2 30.857 9.383 -18.175
13 HA2 GLY 2 HA2 GLY 2 33.231 8.215 -18.295
14 HA3 GLY 2 HA1 GLY 2 33.731 9.898 -18.271
15 H VAL 3 HN VAL 3 31.948 7.430 -16.485
16 HA VAL 3 HA VAL 3 32.825 8.670 -13.982
17 HB VAL 3 HB VAL 3 30.550 8.096 -12.960
18 HG11 VAL 3 HG11 VAL 3 30.752 10.361 -14.937
19 HG12 VAL 3 HG12 VAL 3 31.318 10.372 -13.268
20 HG13 VAL 3 HG13 VAL 3 29.593 10.258 -13.612
21 HG21 VAL 3 HG21 VAL 3 28.607 8.193 -14.461
22 HG22 VAL 3 HG22 VAL 3 29.612 6.783 -14.798
23 HG23 VAL 3 HG23 VAL 3 29.685 8.192 -15.857
24 H ARG 4 HN ARG 4 33.822 7.247 -12.760
25 HA ARG 4 HA ARG 4 33.366 4.383 -13.209
26 HB2 ARG 4 HB2 ARG 4 35.656 5.918 -11.989
27 HB3 ARG 4 HB1 ARG 4 35.512 4.173 -11.831
28 HG2 ARG 4 HG2 ARG 4 35.565 3.950 -14.268
29 HG3 ARG 4 HG1 ARG 4 35.723 5.702 -14.419
30 HD2 ARG 4 HD2 ARG 4 37.831 5.618 -13.181
31 HD3 ARG 4 HD1 ARG 4 37.670 3.869 -13.023
32 HE ARG 4 HE ARG 4 37.556 4.573 -15.745
33 HH11 ARG 4 HH11 ARG 4 41.237 4.145 -14.196
34 HH12 ARG 4 HH12 ARG 4 39.896 4.403 -13.130
35 HH21 ARG 4 HH21 ARG 4 39.327 4.233 -17.118
36 HH22 ARG 4 HH22 ARG 4 40.914 4.049 -16.451
37 H VAL 5 HN VAL 5 32.922 2.966 -11.543
38 HA VAL 5 HA VAL 5 32.426 4.068 -8.877
39 HB VAL 5 HB VAL 5 30.266 2.701 -8.769
40 HG11 VAL 5 HG11 VAL 5 30.293 5.122 -8.748
41 HG12 VAL 5 HG12 VAL 5 28.931 4.533 -9.702
42 HG13 VAL 5 HG13 VAL 5 30.370 5.158 -10.510
43 HG21 VAL 5 HG21 VAL 5 29.042 2.399 -10.878
44 HG22 VAL 5 HG22 VAL 5 30.506 1.417 -10.836
45 HG23 VAL 5 HG23 VAL 5 30.471 2.907 -11.780
46 H GLY 6 HN GLY 6 33.421 2.881 -7.422
47 HA2 GLY 6 HA2 GLY 6 33.315 -0.017 -7.510
48 HA3 GLY 6 HA1 GLY 6 34.919 0.670 -7.704
49 H THR 7 HN THR 7 33.848 -1.025 -5.572
50 HA THR 7 HA THR 7 34.568 0.689 -3.302
51 HB THR 7 HB THR 7 32.849 -0.575 -1.910
52 HG1 THR 7 HG1 THR 7 30.994 -1.060 -3.585
53 HG21 THR 7 HG21 THR 7 31.841 1.304 -4.049
54 HG22 THR 7 HG22 THR 7 32.559 1.776 -2.509
55 HG23 THR 7 HG23 THR 7 31.012 0.928 -2.538
56 H CYS 8 HN CYS 8 35.907 -0.234 -1.865
57 HA CYS 8 HA CYS 8 36.757 -2.991 -2.377
58 HB2 CYS 8 HB2 CYS 8 38.740 -2.333 -0.949
59 HB3 CYS 8 HB1 CYS 8 38.578 -1.451 -2.470
60 HA PRO 9 HA PRO 9 34.952 -4.648 1.345
61 HB2 PRO 9 HB2 PRO 9 36.945 -6.341 2.222
62 HB3 PRO 9 HB1 PRO 9 35.821 -6.726 0.900
63 HG2 PRO 9 HG2 PRO 9 38.610 -5.680 0.761
64 HG3 PRO 9 HG1 PRO 9 37.833 -6.955 -0.209
65 HD2 PRO 9 HD2 PRO 9 38.157 -4.501 -1.198
66 HD3 PRO 9 HD1 PRO 9 36.679 -5.428 -1.528
67 H SER 10 HN SER 10 35.234 -4.871 3.694
68 HA SER 10 HA SER 10 36.140 -2.521 4.915
69 HB2 SER 10 HB2 SER 10 35.540 -5.205 6.177
70 HB3 SER 10 HB1 SER 10 35.688 -3.680 7.051
71 HG SER 10 HG SER 10 33.705 -4.489 5.216
72 H GLY 11 HN GLY 11 37.984 -1.882 5.819
73 HA2 GLY 11 HA2 GLY 11 40.032 -2.197 6.996
74 HA3 GLY 11 HA1 GLY 11 40.112 -3.838 6.360
75 H TYR 12 HN TYR 12 39.414 -0.957 4.467
76 HA TYR 12 HA TYR 12 42.049 -1.147 3.171
77 HB2 TYR 12 HB2 TYR 12 39.400 -1.553 2.004
78 HB3 TYR 12 HB1 TYR 12 40.332 -0.314 1.157
79 HD1 TYR 12 HD1 TYR 12 42.495 -0.893 0.123
80 HD2 TYR 12 HD2 TYR 12 39.998 -3.865 1.861
81 HE1 TYR 12 HE1 TYR 12 43.756 -2.632 -1.063
82 HE2 TYR 12 HE2 TYR 12 41.250 -5.618 0.675
83 HH TYR 12 HH TYR 12 42.667 -5.838 -1.323
84 H VAL 13 HN VAL 13 42.537 0.845 1.817
85 HA VAL 13 HA VAL 13 41.499 3.226 3.215
86 HB VAL 13 HB VAL 13 43.652 4.372 2.521
87 HG11 VAL 13 HG11 VAL 13 44.926 3.440 4.404
88 HG12 VAL 13 HG12 VAL 13 43.806 2.079 4.469
89 HG13 VAL 13 HG13 VAL 13 43.230 3.713 4.804
90 HG21 VAL 13 HG21 VAL 13 44.708 1.564 2.170
91 HG22 VAL 13 HG22 VAL 13 45.600 3.075 2.007
92 HG23 VAL 13 HG23 VAL 13 44.351 2.658 0.834
93 H ARG 14 HN ARG 14 40.182 4.436 2.033
94 HA ARG 14 HA ARG 14 40.371 4.364 -0.897
95 HB2 ARG 14 HB2 ARG 14 38.189 5.471 0.875
96 HB3 ARG 14 HB1 ARG 14 38.120 5.337 -0.881
97 HG2 ARG 14 HG2 ARG 14 38.198 2.894 -0.702
98 HG3 ARG 14 HG1 ARG 14 38.249 3.030 1.061
99 HD2 ARG 14 HD2 ARG 14 36.070 4.142 1.034
100 HD3 ARG 14 HD1 ARG 14 36.022 4.012 -0.723
101 HE ARG 14 HE ARG 14 36.387 1.450 0.338
102 HH11 ARG 14 HH11 ARG 14 33.883 3.910 0.238
103 HH12 ARG 14 HH12 ARG 14 32.591 2.761 0.362
104 HH21 ARG 14 HH21 ARG 14 33.045 0.532 0.509
105 HH22 ARG 14 HH22 ARG 14 34.681 -0.034 0.498
106 H ARG 15 HN ARG 15 41.914 5.836 -1.455
107 HA ARG 15 HA ARG 15 41.287 8.641 -1.053
108 HB2 ARG 15 HB2 ARG 15 43.867 7.426 -0.044
109 HB3 ARG 15 HB1 ARG 15 43.676 9.144 -0.348
110 HG2 ARG 15 HG2 ARG 15 41.674 7.832 1.420
111 HG3 ARG 15 HG1 ARG 15 43.307 8.083 2.059
112 HD2 ARG 15 HD2 ARG 15 43.146 10.473 1.522
113 HD3 ARG 15 HD1 ARG 15 41.521 10.218 0.889
114 HE ARG 15 HE ARG 15 41.575 9.266 3.511
115 HH11 ARG 15 HH11 ARG 15 41.849 12.357 1.865
116 HH12 ARG 15 HH12 ARG 15 41.213 13.254 3.202
117 HH21 ARG 15 HH21 ARG 15 40.746 10.462 5.248
118 HH22 ARG 15 HH22 ARG 15 40.590 12.182 5.116
119 H GLY 16 HN GLY 16 41.859 9.868 -2.768
120 HA2 GLY 16 HA2 GLY 16 42.926 10.515 -4.723
121 HA3 GLY 16 HA1 GLY 16 43.975 9.107 -4.583
122 H THR 17 HN THR 17 40.452 9.475 -4.861
123 HA THR 17 HA THR 17 38.871 8.455 -6.091
124 HB THR 17 HB THR 17 39.645 10.170 -7.676
125 HG1 THR 17 HG1 THR 17 37.923 8.545 -8.129
126 HG21 THR 17 HG21 THR 17 41.249 7.956 -8.977
127 HG22 THR 17 HG22 THR 17 41.914 9.376 -8.169
128 HG23 THR 17 HG23 THR 17 40.974 9.564 -9.649
129 H PHE 18 HN PHE 18 41.078 6.606 -5.093
130 HA PHE 18 HA PHE 18 39.993 4.218 -6.245
131 HB2 PHE 18 HB2 PHE 18 42.322 3.255 -6.802
132 HB3 PHE 18 HB1 PHE 18 41.570 4.319 -7.975
133 HD1 PHE 18 HD1 PHE 18 42.940 5.839 -8.996
134 HD2 PHE 18 HD2 PHE 18 43.886 4.600 -5.030
135 HE1 PHE 18 HE1 PHE 18 44.983 7.204 -9.057
136 HE2 PHE 18 HE2 PHE 18 45.927 5.970 -5.088
137 HZ PHE 18 HZ PHE 18 46.477 7.274 -7.102
138 H CYS 19 HN CYS 19 40.416 2.354 -5.052
139 HA CYS 19 HA CYS 19 41.426 2.877 -2.347
140 HB2 CYS 19 HB2 CYS 19 39.095 1.997 -2.662
141 HB3 CYS 19 HB1 CYS 19 39.797 0.521 -3.328
142 H PHE 20 HN PHE 20 43.254 1.975 -1.622
143 HA PHE 20 HA PHE 20 44.398 -0.276 -3.122
144 HB2 PHE 20 HB2 PHE 20 46.621 0.697 -2.986
145 HB3 PHE 20 HB1 PHE 20 45.527 1.860 -3.734
146 HD1 PHE 20 HD1 PHE 20 44.685 3.796 -2.346
147 HD2 PHE 20 HD2 PHE 20 47.812 1.218 -1.042
148 HE1 PHE 20 HE1 PHE 20 45.378 5.478 -0.688
149 HE2 PHE 20 HE2 PHE 20 48.511 2.897 0.614
150 HZ PHE 20 HZ PHE 20 47.290 5.023 0.799
151 HA PRO 21 HA PRO 21 45.124 -2.082 0.924
152 HB2 PRO 21 HB2 PRO 21 47.603 -3.389 0.219
153 HB3 PRO 21 HB1 PRO 21 45.981 -4.102 0.335
154 HG2 PRO 21 HG2 PRO 21 47.343 -3.847 -2.003
155 HG3 PRO 21 HG1 PRO 21 45.572 -3.868 -1.890
156 HD2 PRO 21 HD2 PRO 21 47.415 -1.521 -2.170
157 HD3 PRO 21 HD1 PRO 21 45.866 -1.845 -2.980
158 H ASP 22 HN ASP 22 45.896 -1.398 2.771
159 HA ASP 22 HA ASP 22 48.633 -0.666 3.218
160 HB2 ASP 22 HB2 ASP 22 47.637 1.406 2.143
161 HB3 ASP 22 HB1 ASP 22 46.570 1.533 3.539
162 H ASP 23 HN ASP 23 45.322 -0.207 4.474
163 HA ASP 23 HA ASP 23 46.197 -0.770 7.189
164 HB2 ASP 23 HB2 ASP 23 44.519 1.068 6.437
165 HB3 ASP 23 HB1 ASP 23 43.352 -0.249 6.349
166 H ASP 24 HN ASP 24 45.436 -2.651 4.612
167 HA ASP 24 HA ASP 24 43.801 -4.613 6.025
168 HB2 ASP 24 HB2 ASP 24 43.623 -3.884 3.501
169 HB3 ASP 24 HB1 ASP 24 44.911 -5.063 3.276
170 H TYR 25 HN TYR 25 47.044 -4.334 4.597
171 HA TYR 25 HA TYR 25 47.883 -6.655 6.200
172 HB2 TYR 25 HB2 TYR 25 48.601 -6.027 3.334
173 HB3 TYR 25 HB1 TYR 25 49.534 -7.144 4.322
174 HD1 TYR 25 HD1 TYR 25 46.441 -6.637 2.466
175 HD2 TYR 25 HD2 TYR 25 48.562 -9.290 5.028
176 HE1 TYR 25 HE1 TYR 25 44.901 -8.453 1.851
177 HE2 TYR 25 HE2 TYR 25 47.028 -11.113 4.419
178 HH TYR 25 HH TYR 25 44.876 -10.909 1.805
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 19.092 6.612 5.167
2 H2 PHE 1 HT2 PHE 1 17.999 5.375 5.536
3 H3 PHE 1 HT3 PHE 1 18.424 5.675 3.926
4 HA PHE 1 HA PHE 1 20.684 5.006 4.345
5 HB2 PHE 1 HB2 PHE 1 19.640 4.553 7.146
6 HB3 PHE 1 HB1 PHE 1 21.155 3.877 6.560
7 HD1 PHE 1 HD1 PHE 1 19.412 6.919 7.584
8 HD2 PHE 1 HD2 PHE 1 23.080 5.290 6.166
9 HE1 PHE 1 HE1 PHE 1 20.572 8.998 8.206
10 HE2 PHE 1 HE2 PHE 1 24.246 7.366 6.785
11 HZ PHE 1 HZ PHE 1 22.990 9.224 7.807
12 H GLY 2 HN GLY 2 21.285 2.886 3.916
13 HA2 GLY 2 HA2 GLY 2 20.050 0.526 4.528
14 HA3 GLY 2 HA1 GLY 2 19.137 1.136 3.157
15 H VAL 3 HN VAL 3 22.599 1.068 3.997
16 HA VAL 3 HA VAL 3 23.133 -0.565 1.632
17 HB VAL 3 HB VAL 3 25.156 0.914 1.111
18 HG11 VAL 3 HG11 VAL 3 22.382 1.964 0.579
19 HG12 VAL 3 HG12 VAL 3 23.240 0.740 -0.358
20 HG13 VAL 3 HG13 VAL 3 23.833 2.400 -0.323
21 HG21 VAL 3 HG21 VAL 3 25.138 2.323 3.108
22 HG22 VAL 3 HG22 VAL 3 23.550 2.949 2.667
23 HG23 VAL 3 HG23 VAL 3 24.947 3.301 1.653
24 H ARG 4 HN ARG 4 24.322 -2.233 2.192
25 HA ARG 4 HA ARG 4 26.088 -2.021 4.535
26 HB2 ARG 4 HB2 ARG 4 24.653 -4.372 3.316
27 HB3 ARG 4 HB1 ARG 4 25.962 -4.577 4.472
28 HG2 ARG 4 HG2 ARG 4 24.690 -3.299 6.129
29 HG3 ARG 4 HG1 ARG 4 23.375 -3.112 4.969
30 HD2 ARG 4 HD2 ARG 4 23.102 -5.541 4.890
31 HD3 ARG 4 HD1 ARG 4 24.424 -5.730 6.042
32 HE ARG 4 HE ARG 4 22.459 -4.035 7.135
33 HH11 ARG 4 HH11 ARG 4 21.848 -7.978 7.600
34 HH12 ARG 4 HH12 ARG 4 22.936 -7.430 6.370
35 HH21 ARG 4 HH21 ARG 4 21.036 -4.778 8.737
36 HH22 ARG 4 HH22 ARG 4 20.773 -6.477 8.939
37 H VAL 5 HN VAL 5 25.916 -3.185 1.209
38 HA VAL 5 HA VAL 5 28.813 -3.645 1.223
39 HB VAL 5 HB VAL 5 27.339 -5.534 0.502
40 HG11 VAL 5 HG11 VAL 5 25.578 -4.396 -0.665
41 HG12 VAL 5 HG12 VAL 5 26.380 -5.505 -1.778
42 HG13 VAL 5 HG13 VAL 5 26.714 -3.775 -1.864
43 HG21 VAL 5 HG21 VAL 5 28.666 -6.172 -1.464
44 HG22 VAL 5 HG22 VAL 5 29.660 -5.498 -0.173
45 HG23 VAL 5 HG23 VAL 5 29.264 -4.516 -1.583
46 H GLY 6 HN GLY 6 30.184 -2.487 -0.017
47 HA2 GLY 6 HA2 GLY 6 29.021 -0.298 -1.627
48 HA3 GLY 6 HA1 GLY 6 30.529 -0.170 -0.735
49 H THR 7 HN THR 7 32.100 0.067 -2.177
50 HA THR 7 HA THR 7 32.110 -1.657 -4.562
51 HB THR 7 HB THR 7 33.803 0.020 -5.459
52 HG1 THR 7 HG1 THR 7 34.249 1.735 -4.292
53 HG21 THR 7 HG21 THR 7 31.493 -0.036 -6.252
54 HG22 THR 7 HG22 THR 7 32.080 1.624 -6.153
55 HG23 THR 7 HG23 THR 7 30.997 0.996 -4.911
56 H CYS 8 HN CYS 8 34.287 -0.217 -2.151
57 HA CYS 8 HA CYS 8 36.313 -2.231 -2.725
58 HB2 CYS 8 HB2 CYS 8 36.392 0.251 -0.995
59 HB3 CYS 8 HB1 CYS 8 37.752 -0.820 -1.300
60 HA PRO 9 HA PRO 9 35.321 -4.664 0.892
61 HB2 PRO 9 HB2 PRO 9 37.793 -5.625 1.588
62 HB3 PRO 9 HB1 PRO 9 36.850 -6.246 0.215
63 HG2 PRO 9 HG2 PRO 9 39.115 -4.312 0.227
64 HG3 PRO 9 HG1 PRO 9 38.777 -5.652 -0.893
65 HD2 PRO 9 HD2 PRO 9 38.239 -3.084 -1.525
66 HD3 PRO 9 HD1 PRO 9 37.239 -4.434 -2.101
67 H SER 10 HN SER 10 35.765 -4.913 3.216
68 HA SER 10 HA SER 10 36.173 -2.361 4.475
69 HB2 SER 10 HB2 SER 10 35.659 -3.630 6.579
70 HB3 SER 10 HB1 SER 10 34.420 -3.765 5.332
71 HG SER 10 HG SER 10 36.011 -5.697 6.439
72 H GLY 11 HN GLY 11 37.906 -1.599 5.492
73 HA2 GLY 11 HA2 GLY 11 39.865 -1.723 6.816
74 HA3 GLY 11 HA1 GLY 11 40.050 -3.410 6.341
75 H TYR 12 HN TYR 12 39.584 -0.507 4.351
76 HA TYR 12 HA TYR 12 42.267 -0.859 3.209
77 HB2 TYR 12 HB2 TYR 12 39.659 -1.078 1.826
78 HB3 TYR 12 HB1 TYR 12 40.881 -0.102 1.004
79 HD1 TYR 12 HD1 TYR 12 40.008 -3.476 2.162
80 HD2 TYR 12 HD2 TYR 12 42.877 -1.095 0.126
81 HE1 TYR 12 HE1 TYR 12 41.084 -5.517 1.307
82 HE2 TYR 12 HE2 TYR 12 43.969 -3.118 -0.729
83 HH TYR 12 HH TYR 12 44.150 -5.504 -0.149
84 H VAL 13 HN VAL 13 43.002 1.040 1.929
85 HA VAL 13 HA VAL 13 42.055 3.512 3.208
86 HB VAL 13 HB VAL 13 44.651 3.017 1.712
87 HG11 VAL 13 HG11 VAL 13 43.776 5.433 3.305
88 HG12 VAL 13 HG12 VAL 13 43.972 5.362 1.554
89 HG13 VAL 13 HG13 VAL 13 45.377 5.185 2.607
90 HG21 VAL 13 HG21 VAL 13 45.703 3.196 3.936
91 HG22 VAL 13 HG22 VAL 13 44.612 1.814 3.811
92 HG23 VAL 13 HG23 VAL 13 44.100 3.268 4.666
93 H ARG 14 HN ARG 14 40.505 4.478 2.068
94 HA ARG 14 HA ARG 14 40.549 4.421 -0.865
95 HB2 ARG 14 HB2 ARG 14 38.373 5.391 0.986
96 HB3 ARG 14 HB1 ARG 14 38.232 5.138 -0.752
97 HG2 ARG 14 HG2 ARG 14 38.500 2.736 -0.450
98 HG3 ARG 14 HG1 ARG 14 38.690 2.967 1.294
99 HD2 ARG 14 HD2 ARG 14 36.426 3.948 1.374
100 HD3 ARG 14 HD1 ARG 14 36.245 3.622 -0.349
101 HE ARG 14 HE ARG 14 36.908 1.214 0.850
102 HH11 ARG 14 HH11 ARG 14 34.245 3.498 1.032
103 HH12 ARG 14 HH12 ARG 14 33.083 2.287 1.456
104 HH21 ARG 14 HH21 ARG 14 33.720 0.108 1.668
105 HH22 ARG 14 HH22 ARG 14 35.369 -0.356 1.408
106 H ARG 15 HN ARG 15 41.910 6.035 -1.515
107 HA ARG 15 HA ARG 15 41.054 8.766 -1.001
108 HB2 ARG 15 HB2 ARG 15 43.822 7.769 -0.312
109 HB3 ARG 15 HB1 ARG 15 43.449 9.473 -0.542
110 HG2 ARG 15 HG2 ARG 15 42.056 9.542 1.347
111 HG3 ARG 15 HG1 ARG 15 41.938 7.781 1.435
112 HD2 ARG 15 HD2 ARG 15 43.399 8.454 3.182
113 HD3 ARG 15 HD1 ARG 15 44.421 7.768 1.921
114 HE ARG 15 HE ARG 15 44.229 10.553 1.553
115 HH11 ARG 15 HH11 ARG 15 45.714 8.252 3.752
116 HH12 ARG 15 HH12 ARG 15 47.011 9.319 4.172
117 HH21 ARG 15 HH21 ARG 15 45.938 11.930 2.117
118 HH22 ARG 15 HH22 ARG 15 47.137 11.399 3.248
119 H GLY 16 HN GLY 16 41.181 9.985 -2.792
120 HA2 GLY 16 HA2 GLY 16 41.897 10.755 -4.860
121 HA3 GLY 16 HA1 GLY 16 43.173 9.541 -4.839
122 H THR 17 HN THR 17 39.776 8.816 -4.390
123 HA THR 17 HA THR 17 38.259 7.554 -5.469
124 HB THR 17 HB THR 17 38.049 7.668 -7.928
125 HG1 THR 17 HG1 THR 17 40.007 7.861 -8.807
126 HG21 THR 17 HG21 THR 17 37.060 9.427 -6.563
127 HG22 THR 17 HG22 THR 17 37.652 10.085 -8.088
128 HG23 THR 17 HG23 THR 17 38.574 10.331 -6.604
129 H PHE 18 HN PHE 18 41.011 6.408 -4.843
130 HA PHE 18 HA PHE 18 40.570 3.886 -6.264
131 HB2 PHE 18 HB2 PHE 18 42.968 3.531 -6.624
132 HB3 PHE 18 HB1 PHE 18 42.417 4.975 -7.456
133 HD1 PHE 18 HD1 PHE 18 43.271 7.138 -6.870
134 HD2 PHE 18 HD2 PHE 18 44.422 3.694 -4.655
135 HE1 PHE 18 HE1 PHE 18 45.092 8.421 -5.829
136 HE2 PHE 18 HE2 PHE 18 46.244 4.972 -3.606
137 HZ PHE 18 HZ PHE 18 46.581 7.339 -4.193
138 H CYS 19 HN CYS 19 41.118 2.016 -5.142
139 HA CYS 19 HA CYS 19 41.640 2.400 -2.266
140 HB2 CYS 19 HB2 CYS 19 40.106 0.195 -3.665
141 HB3 CYS 19 HB1 CYS 19 40.447 0.243 -1.934
142 H PHE 20 HN PHE 20 43.520 1.659 -1.532
143 HA PHE 20 HA PHE 20 44.810 -0.554 -2.962
144 HB2 PHE 20 HB2 PHE 20 46.991 0.492 -2.713
145 HB3 PHE 20 HB1 PHE 20 45.900 1.606 -3.532
146 HD1 PHE 20 HD1 PHE 20 48.028 1.056 -0.687
147 HD2 PHE 20 HD2 PHE 20 44.935 3.535 -2.238
148 HE1 PHE 20 HE1 PHE 20 48.566 2.770 0.992
149 HE2 PHE 20 HE2 PHE 20 45.470 5.254 -0.561
150 HZ PHE 20 HZ PHE 20 47.283 4.866 1.059
151 HA PRO 21 HA PRO 21 45.321 -2.323 1.120
152 HB2 PRO 21 HB2 PRO 21 47.758 -3.743 0.514
153 HB3 PRO 21 HB1 PRO 21 46.102 -4.379 0.554
154 HG2 PRO 21 HG2 PRO 21 47.596 -4.173 -1.719
155 HG3 PRO 21 HG1 PRO 21 45.821 -4.163 -1.686
156 HD2 PRO 21 HD2 PRO 21 47.719 -1.855 -1.907
157 HD3 PRO 21 HD1 PRO 21 46.191 -2.151 -2.765
158 H ASP 22 HN ASP 22 46.085 -1.702 2.989
159 HA ASP 22 HA ASP 22 48.822 -1.038 3.506
160 HB2 ASP 22 HB2 ASP 22 47.923 1.058 2.400
161 HB3 ASP 22 HB1 ASP 22 46.815 1.216 3.759
162 H ASP 23 HN ASP 23 45.490 -0.493 4.671
163 HA ASP 23 HA ASP 23 46.263 -1.010 7.421
164 HB2 ASP 23 HB2 ASP 23 44.597 0.780 6.612
165 HB3 ASP 23 HB1 ASP 23 43.458 -0.546 6.414
166 H ASP 24 HN ASP 24 45.361 -2.894 4.788
167 HA ASP 24 HA ASP 24 43.991 -4.918 6.400
168 HB2 ASP 24 HB2 ASP 24 43.635 -6.069 4.181
169 HB3 ASP 24 HB1 ASP 24 42.861 -4.500 4.340
170 H TYR 25 HN TYR 25 46.855 -4.561 4.331
171 HA TYR 25 HA TYR 25 47.995 -6.956 5.615
172 HB2 TYR 25 HB2 TYR 25 47.322 -7.096 3.097
173 HB3 TYR 25 HB1 TYR 25 48.763 -6.121 2.829
174 HD1 TYR 25 HD1 TYR 25 50.981 -7.055 3.190
175 HD2 TYR 25 HD2 TYR 25 47.496 -9.405 3.837
176 HE1 TYR 25 HE1 TYR 25 52.366 -9.086 3.219
177 HE2 TYR 25 HE2 TYR 25 48.869 -11.445 3.867
178 HH TYR 25 HH TYR 25 51.051 -12.208 3.031
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 31.415 -15.756 -6.267
2 H2 PHE 1 HT2 PHE 1 31.290 -14.224 -5.563
3 H3 PHE 1 HT3 PHE 1 32.236 -15.417 -4.827
4 HA PHE 1 HA PHE 1 33.612 -13.797 -5.953
5 HB2 PHE 1 HB2 PHE 1 33.538 -16.570 -7.156
6 HB3 PHE 1 HB1 PHE 1 34.842 -15.426 -7.450
7 HD1 PHE 1 HD1 PHE 1 36.427 -14.867 -5.708
8 HD2 PHE 1 HD2 PHE 1 33.274 -17.637 -5.002
9 HE1 PHE 1 HE1 PHE 1 37.561 -15.631 -3.663
10 HE2 PHE 1 HE2 PHE 1 34.401 -18.405 -2.955
11 HZ PHE 1 HZ PHE 1 36.548 -17.401 -2.283
12 H GLY 2 HN GLY 2 34.243 -12.724 -7.833
13 HA2 GLY 2 HA2 GLY 2 33.516 -13.001 -10.420
14 HA3 GLY 2 HA1 GLY 2 32.098 -12.246 -9.711
15 H VAL 3 HN VAL 3 32.253 -10.314 -10.775
16 HA VAL 3 HA VAL 3 34.411 -8.551 -9.876
17 HB VAL 3 HB VAL 3 34.403 -7.460 -12.189
18 HG11 VAL 3 HG11 VAL 3 35.581 -10.216 -11.867
19 HG12 VAL 3 HG12 VAL 3 36.298 -8.698 -11.324
20 HG13 VAL 3 HG13 VAL 3 36.097 -9.011 -13.048
21 HG21 VAL 3 HG21 VAL 3 32.453 -8.576 -13.149
22 HG22 VAL 3 HG22 VAL 3 33.254 -10.138 -12.995
23 HG23 VAL 3 HG23 VAL 3 33.898 -8.924 -14.099
24 H ARG 4 HN ARG 4 33.552 -6.906 -8.849
25 HA ARG 4 HA ARG 4 31.073 -5.693 -9.869
26 HB2 ARG 4 HB2 ARG 4 31.722 -6.432 -7.020
27 HB3 ARG 4 HB1 ARG 4 30.501 -5.234 -7.418
28 HG2 ARG 4 HG2 ARG 4 29.269 -6.924 -8.698
29 HG3 ARG 4 HG1 ARG 4 30.488 -8.124 -8.271
30 HD2 ARG 4 HD2 ARG 4 28.715 -8.456 -6.757
31 HD3 ARG 4 HD1 ARG 4 29.955 -7.597 -5.849
32 HE ARG 4 HE ARG 4 28.216 -5.698 -6.924
33 HH11 ARG 4 HH11 ARG 4 26.851 -7.508 -3.607
34 HH12 ARG 4 HH12 ARG 4 28.097 -8.272 -4.537
35 HH21 ARG 4 HH21 ARG 4 26.587 -4.717 -5.690
36 HH22 ARG 4 HH22 ARG 4 25.998 -5.497 -4.260
37 H VAL 5 HN VAL 5 30.874 -3.476 -9.620
38 HA VAL 5 HA VAL 5 33.211 -2.045 -8.559
39 HB VAL 5 HB VAL 5 32.860 -0.336 -10.434
40 HG11 VAL 5 HG11 VAL 5 34.309 -1.579 -11.975
41 HG12 VAL 5 HG12 VAL 5 33.954 -3.065 -11.094
42 HG13 VAL 5 HG13 VAL 5 34.817 -1.750 -10.296
43 HG21 VAL 5 HG21 VAL 5 31.483 -2.687 -11.751
44 HG22 VAL 5 HG22 VAL 5 31.969 -1.194 -12.555
45 HG23 VAL 5 HG23 VAL 5 30.725 -1.156 -11.306
46 H GLY 6 HN GLY 6 32.665 -0.673 -7.027
47 HA2 GLY 6 HA2 GLY 6 30.785 1.347 -7.167
48 HA3 GLY 6 HA1 GLY 6 29.955 -0.018 -6.438
49 H THR 7 HN THR 7 31.683 -1.136 -4.770
50 HA THR 7 HA THR 7 32.797 0.984 -3.071
51 HB THR 7 HB THR 7 31.877 -0.277 -1.058
52 HG1 THR 7 HG1 THR 7 29.768 -1.179 -2.632
53 HG21 THR 7 HG21 THR 7 30.990 1.893 -1.755
54 HG22 THR 7 HG22 THR 7 29.701 0.851 -1.155
55 HG23 THR 7 HG23 THR 7 29.903 1.093 -2.891
56 H CYS 8 HN CYS 8 34.440 0.333 -1.651
57 HA CYS 8 HA CYS 8 35.864 -2.068 -2.489
58 HB2 CYS 8 HB2 CYS 8 36.645 0.393 -0.928
59 HB3 CYS 8 HB1 CYS 8 37.703 -1.005 -1.070
60 HA PRO 9 HA PRO 9 34.966 -4.433 1.190
61 HB2 PRO 9 HB2 PRO 9 37.374 -5.669 1.673
62 HB3 PRO 9 HB1 PRO 9 36.243 -6.177 0.400
63 HG2 PRO 9 HG2 PRO 9 38.687 -4.484 0.186
64 HG3 PRO 9 HG1 PRO 9 38.126 -5.795 -0.877
65 HD2 PRO 9 HD2 PRO 9 37.777 -3.222 -1.540
66 HD3 PRO 9 HD1 PRO 9 36.558 -4.452 -1.928
67 H SER 10 HN SER 10 35.568 -4.765 3.467
68 HA SER 10 HA SER 10 36.368 -2.294 4.702
69 HB2 SER 10 HB2 SER 10 34.516 -3.766 5.551
70 HB3 SER 10 HB1 SER 10 35.742 -4.928 6.053
71 HG SER 10 HG SER 10 34.865 -3.018 7.498
72 H GLY 11 HN GLY 11 38.244 -1.767 5.626
73 HA2 GLY 11 HA2 GLY 11 40.220 -2.348 6.904
74 HA3 GLY 11 HA1 GLY 11 40.285 -3.865 6.011
75 H TYR 12 HN TYR 12 39.487 -1.448 3.870
76 HA TYR 12 HA TYR 12 42.289 -1.141 3.023
77 HB2 TYR 12 HB2 TYR 12 39.783 -1.672 1.563
78 HB3 TYR 12 HB1 TYR 12 40.824 -0.455 0.822
79 HD1 TYR 12 HD1 TYR 12 43.055 -1.043 0.031
80 HD2 TYR 12 HD2 TYR 12 40.449 -3.989 1.646
81 HE1 TYR 12 HE1 TYR 12 44.474 -2.806 -0.922
82 HE2 TYR 12 HE2 TYR 12 41.858 -5.768 0.693
83 HH TYR 12 HH TYR 12 43.487 -6.048 -1.129
84 H VAL 13 HN VAL 13 42.890 0.879 1.972
85 HA VAL 13 HA VAL 13 41.533 3.164 3.229
86 HB VAL 13 HB VAL 13 44.292 3.077 1.965
87 HG11 VAL 13 HG11 VAL 13 43.331 5.325 1.925
88 HG12 VAL 13 HG12 VAL 13 44.660 5.232 3.082
89 HG13 VAL 13 HG13 VAL 13 42.991 5.221 3.654
90 HG21 VAL 13 HG21 VAL 13 43.484 2.998 4.871
91 HG22 VAL 13 HG22 VAL 13 45.134 3.194 4.283
92 HG23 VAL 13 HG23 VAL 13 44.252 1.702 3.954
93 H ARG 14 HN ARG 14 40.137 4.248 2.002
94 HA ARG 14 HA ARG 14 40.362 4.151 -0.924
95 HB2 ARG 14 HB2 ARG 14 38.066 5.229 0.709
96 HB3 ARG 14 HB1 ARG 14 38.055 4.803 -1.000
97 HG2 ARG 14 HG2 ARG 14 38.207 2.459 -0.479
98 HG3 ARG 14 HG1 ARG 14 38.402 2.817 1.243
99 HD2 ARG 14 HD2 ARG 14 36.152 3.913 1.176
100 HD3 ARG 14 HD1 ARG 14 35.968 3.305 -0.470
101 HE ARG 14 HE ARG 14 36.492 1.052 0.838
102 HH11 ARG 14 HH11 ARG 14 34.276 3.641 1.684
103 HH12 ARG 14 HH12 ARG 14 33.191 2.590 2.531
104 HH21 ARG 14 HH21 ARG 14 33.635 0.359 2.685
105 HH22 ARG 14 HH22 ARG 14 35.059 -0.303 1.957
106 H ARG 15 HN ARG 15 41.784 5.741 -1.499
107 HA ARG 15 HA ARG 15 40.918 8.489 -1.133
108 HB2 ARG 15 HB2 ARG 15 43.562 7.484 -0.074
109 HB3 ARG 15 HB1 ARG 15 43.286 9.177 -0.458
110 HG2 ARG 15 HG2 ARG 15 41.658 9.403 1.231
111 HG3 ARG 15 HG1 ARG 15 41.518 7.653 1.441
112 HD2 ARG 15 HD2 ARG 15 43.815 7.591 2.306
113 HD3 ARG 15 HD1 ARG 15 43.942 9.338 2.099
114 HE ARG 15 HE ARG 15 41.711 8.784 3.703
115 HH11 ARG 15 HH11 ARG 15 45.213 8.612 3.910
116 HH12 ARG 15 HH12 ARG 15 45.235 8.826 5.628
117 HH21 ARG 15 HH21 ARG 15 41.766 9.063 5.951
118 HH22 ARG 15 HH22 ARG 15 43.285 9.081 6.782
119 H GLY 16 HN GLY 16 41.408 9.761 -2.840
120 HA2 GLY 16 HA2 GLY 16 42.416 10.485 -4.798
121 HA3 GLY 16 HA1 GLY 16 43.563 9.154 -4.665
122 H THR 17 HN THR 17 40.029 9.012 -4.770
123 HA THR 17 HA THR 17 38.531 7.922 -6.058
124 HB THR 17 HB THR 17 38.780 8.030 -8.533
125 HG1 THR 17 HG1 THR 17 40.962 9.693 -8.447
126 HG21 THR 17 HG21 THR 17 39.347 10.604 -7.058
127 HG22 THR 17 HG22 THR 17 37.759 9.880 -7.317
128 HG23 THR 17 HG23 THR 17 38.690 10.477 -8.691
129 H PHE 18 HN PHE 18 40.967 6.361 -5.059
130 HA PHE 18 HA PHE 18 40.182 3.853 -6.219
131 HB2 PHE 18 HB2 PHE 18 42.609 3.170 -6.720
132 HB3 PHE 18 HB1 PHE 18 41.792 4.177 -7.900
133 HD1 PHE 18 HD1 PHE 18 43.032 5.853 -8.839
134 HD2 PHE 18 HD2 PHE 18 43.964 4.627 -4.866
135 HE1 PHE 18 HE1 PHE 18 44.925 7.420 -8.800
136 HE2 PHE 18 HE2 PHE 18 45.854 6.201 -4.824
137 HZ PHE 18 HZ PHE 18 46.337 7.599 -6.792
138 H CYS 19 HN CYS 19 40.839 2.038 -5.021
139 HA CYS 19 HA CYS 19 41.644 2.683 -2.275
140 HB2 CYS 19 HB2 CYS 19 40.409 0.138 -3.358
141 HB3 CYS 19 HB1 CYS 19 40.664 0.539 -1.657
142 H PHE 20 HN PHE 20 43.517 1.987 -1.420
143 HA PHE 20 HA PHE 20 45.089 0.040 -2.954
144 HB2 PHE 20 HB2 PHE 20 47.129 1.283 -2.493
145 HB3 PHE 20 HB1 PHE 20 45.956 2.351 -3.265
146 HD1 PHE 20 HD1 PHE 20 48.008 1.756 -0.372
147 HD2 PHE 20 HD2 PHE 20 44.727 4.031 -1.850
148 HE1 PHE 20 HE1 PHE 20 48.278 3.344 1.484
149 HE2 PHE 20 HE2 PHE 20 44.993 5.625 0.006
150 HZ PHE 20 HZ PHE 20 46.769 5.274 1.678
151 HA PRO 21 HA PRO 21 45.641 -2.051 0.973
152 HB2 PRO 21 HB2 PRO 21 48.293 -3.041 0.386
153 HB3 PRO 21 HB1 PRO 21 46.749 -3.916 0.299
154 HG2 PRO 21 HG2 PRO 21 48.258 -3.317 -1.882
155 HG3 PRO 21 HG1 PRO 21 46.496 -3.520 -1.927
156 HD2 PRO 21 HD2 PRO 21 48.101 -0.989 -1.846
157 HD3 PRO 21 HD1 PRO 21 46.665 -1.389 -2.816
158 H ASP 22 HN ASP 22 46.225 -1.539 2.943
159 HA ASP 22 HA ASP 22 48.806 -0.574 3.703
160 HB2 ASP 22 HB2 ASP 22 47.670 1.488 2.718
161 HB3 ASP 22 HB1 ASP 22 46.530 1.390 4.057
162 H ASP 23 HN ASP 23 45.368 -0.576 4.661
163 HA ASP 23 HA ASP 23 46.048 -1.283 7.398
164 HB2 ASP 23 HB2 ASP 23 44.249 0.421 6.672
165 HB3 ASP 23 HB1 ASP 23 43.262 -0.984 6.286
166 H ASP 24 HN ASP 24 45.250 -2.859 4.483
167 HA ASP 24 HA ASP 24 44.670 -5.350 5.944
168 HB2 ASP 24 HB2 ASP 24 42.735 -4.239 4.579
169 HB3 ASP 24 HB1 ASP 24 43.596 -4.867 3.178
170 H TYR 25 HN TYR 25 46.601 -6.342 5.871
171 HA TYR 25 HA TYR 25 47.895 -6.680 3.245
172 HB2 TYR 25 HB2 TYR 25 49.099 -5.366 5.156
173 HB3 TYR 25 HB1 TYR 25 49.383 -6.962 5.842
174 HD1 TYR 25 HD1 TYR 25 50.911 -8.523 4.771
175 HD2 TYR 25 HD2 TYR 25 50.204 -4.674 3.101
176 HE1 TYR 25 HE1 TYR 25 52.886 -8.791 3.331
177 HE2 TYR 25 HE2 TYR 25 52.176 -4.932 1.655
178 HH TYR 25 HH TYR 25 54.271 -6.216 1.610
Start of MODEL 16
1 H1 PHE 1 HT1 PHE 1 23.608 2.465 -12.473
2 H2 PHE 1 HT2 PHE 1 22.343 1.385 -12.780
3 H3 PHE 1 HT3 PHE 1 22.662 2.644 -13.865
4 HA PHE 1 HA PHE 1 23.463 0.541 -14.719
5 HB2 PHE 1 HB2 PHE 1 24.669 2.850 -14.984
6 HB3 PHE 1 HB1 PHE 1 25.899 2.127 -13.953
7 HD1 PHE 1 HD1 PHE 1 24.310 2.066 -17.241
8 HD2 PHE 1 HD2 PHE 1 27.281 0.307 -14.753
9 HE1 PHE 1 HE1 PHE 1 25.318 0.990 -19.212
10 HE2 PHE 1 HE2 PHE 1 28.295 -0.771 -16.719
11 HZ PHE 1 HZ PHE 1 27.312 -0.431 -18.952
12 H GLY 2 HN GLY 2 24.959 1.449 -11.626
13 HA2 GLY 2 HA2 GLY 2 24.975 -0.701 -10.156
14 HA3 GLY 2 HA1 GLY 2 26.115 -1.240 -11.380
15 H VAL 3 HN VAL 3 27.756 0.759 -11.846
16 HA VAL 3 HA VAL 3 28.722 1.757 -9.261
17 HB VAL 3 HB VAL 3 31.103 1.292 -10.076
18 HG11 VAL 3 HG11 VAL 3 29.325 -1.019 -9.313
19 HG12 VAL 3 HG12 VAL 3 30.098 0.121 -8.211
20 HG13 VAL 3 HG13 VAL 3 31.082 -0.987 -9.168
21 HG21 VAL 3 HG21 VAL 3 31.402 -0.645 -11.561
22 HG22 VAL 3 HG22 VAL 3 30.618 0.696 -12.397
23 HG23 VAL 3 HG23 VAL 3 29.663 -0.685 -11.858
24 H ARG 4 HN ARG 4 29.349 3.810 -9.261
25 HA ARG 4 HA ARG 4 29.405 5.242 -11.818
26 HB2 ARG 4 HB2 ARG 4 27.954 5.842 -9.678
27 HB3 ARG 4 HB1 ARG 4 29.430 6.667 -9.197
28 HG2 ARG 4 HG2 ARG 4 29.370 7.989 -11.248
29 HG3 ARG 4 HG1 ARG 4 27.898 7.151 -11.747
30 HD2 ARG 4 HD2 ARG 4 26.741 8.011 -9.768
31 HD3 ARG 4 HD1 ARG 4 28.213 8.847 -9.272
32 HE ARG 4 HE ARG 4 27.566 9.667 -11.867
33 HH11 ARG 4 HH11 ARG 4 25.518 11.518 -8.949
34 HH12 ARG 4 HH12 ARG 4 26.274 9.996 -8.618
35 HH21 ARG 4 HH21 ARG 4 26.567 11.662 -12.277
36 HH22 ARG 4 HH22 ARG 4 25.683 12.459 -11.019
37 H VAL 5 HN VAL 5 31.296 4.716 -8.886
38 HA VAL 5 HA VAL 5 33.650 5.794 -10.277
39 HB VAL 5 HB VAL 5 34.531 6.508 -7.986
40 HG11 VAL 5 HG11 VAL 5 33.411 8.685 -8.114
41 HG12 VAL 5 HG12 VAL 5 32.208 7.992 -9.200
42 HG13 VAL 5 HG13 VAL 5 33.895 8.090 -9.703
43 HG21 VAL 5 HG21 VAL 5 32.854 7.150 -6.307
44 HG22 VAL 5 HG22 VAL 5 32.883 5.404 -6.558
45 HG23 VAL 5 HG23 VAL 5 31.595 6.376 -7.271
46 H GLY 6 HN GLY 6 32.433 3.568 -7.832
47 HA2 GLY 6 HA2 GLY 6 33.546 1.273 -8.279
48 HA3 GLY 6 HA1 GLY 6 35.006 2.139 -7.827
49 H THR 7 HN THR 7 33.867 -0.172 -6.545
50 HA THR 7 HA THR 7 33.543 0.928 -3.841
51 HB THR 7 HB THR 7 31.928 -0.985 -3.364
52 HG1 THR 7 HG1 THR 7 32.296 -2.127 -5.337
53 HG21 THR 7 HG21 THR 7 31.022 1.200 -5.245
54 HG22 THR 7 HG22 THR 7 31.185 1.340 -3.495
55 HG23 THR 7 HG23 THR 7 29.975 0.257 -4.184
56 H CYS 8 HN CYS 8 34.737 -0.054 -2.332
57 HA CYS 8 HA CYS 8 35.968 -2.652 -2.970
58 HB2 CYS 8 HB2 CYS 8 38.034 -1.857 -1.825
59 HB3 CYS 8 HB1 CYS 8 37.661 -0.951 -3.293
60 HA PRO 9 HA PRO 9 34.470 -4.078 0.979
61 HB2 PRO 9 HB2 PRO 9 36.519 -5.732 1.781
62 HB3 PRO 9 HB1 PRO 9 35.305 -6.177 0.561
63 HG2 PRO 9 HG2 PRO 9 38.078 -5.151 0.175
64 HG3 PRO 9 HG1 PRO 9 37.233 -6.468 -0.673
65 HD2 PRO 9 HD2 PRO 9 37.491 -4.054 -1.788
66 HD3 PRO 9 HD1 PRO 9 36.008 -5.007 -1.995
67 H SER 10 HN SER 10 34.941 -4.168 3.303
68 HA SER 10 HA SER 10 36.199 -1.768 4.215
69 HB2 SER 10 HB2 SER 10 35.007 -4.069 5.776
70 HB3 SER 10 HB1 SER 10 35.477 -2.513 6.459
71 HG SER 10 HG SER 10 33.494 -2.964 4.477
72 H GLY 11 HN GLY 11 37.918 -1.540 5.680
73 HA2 GLY 11 HA2 GLY 11 39.786 -2.292 6.930
74 HA3 GLY 11 HA1 GLY 11 39.669 -3.853 6.120
75 H TYR 12 HN TYR 12 39.478 -0.949 4.246
76 HA TYR 12 HA TYR 12 42.274 -1.226 3.368
77 HB2 TYR 12 HB2 TYR 12 39.810 -1.585 1.817
78 HB3 TYR 12 HB1 TYR 12 40.930 -0.428 1.093
79 HD1 TYR 12 HD1 TYR 12 40.394 -3.935 1.999
80 HD2 TYR 12 HD2 TYR 12 43.096 -1.134 0.291
81 HE1 TYR 12 HE1 TYR 12 41.727 -5.790 1.084
82 HE2 TYR 12 HE2 TYR 12 44.440 -2.973 -0.625
83 HH TYR 12 HH TYR 12 43.332 -6.180 -0.740
84 H VAL 13 HN VAL 13 42.954 0.741 1.999
85 HA VAL 13 HA VAL 13 41.882 3.140 3.320
86 HB VAL 13 HB VAL 13 44.000 4.293 2.512
87 HG11 VAL 13 HG11 VAL 13 43.664 3.706 4.822
88 HG12 VAL 13 HG12 VAL 13 45.343 3.401 4.374
89 HG13 VAL 13 HG13 VAL 13 44.211 2.058 4.518
90 HG21 VAL 13 HG21 VAL 13 45.915 3.047 1.908
91 HG22 VAL 13 HG22 VAL 13 44.617 2.462 0.867
92 HG23 VAL 13 HG23 VAL 13 45.128 1.509 2.261
93 H ARG 14 HN ARG 14 40.416 4.189 2.171
94 HA ARG 14 HA ARG 14 40.529 4.139 -0.760
95 HB2 ARG 14 HB2 ARG 14 38.315 5.150 1.021
96 HB3 ARG 14 HB1 ARG 14 38.221 4.854 -0.714
97 HG2 ARG 14 HG2 ARG 14 38.487 2.452 -0.331
98 HG3 ARG 14 HG1 ARG 14 38.584 2.741 1.411
99 HD2 ARG 14 HD2 ARG 14 36.359 2.080 0.996
100 HD3 ARG 14 HD1 ARG 14 36.301 3.828 1.213
101 HE ARG 14 HE ARG 14 36.586 3.231 -1.525
102 HH11 ARG 14 HH11 ARG 14 34.163 3.048 1.011
103 HH12 ARG 14 HH12 ARG 14 32.834 3.186 -0.090
104 HH21 ARG 14 HH21 ARG 14 33.213 3.390 -2.330
105 HH22 ARG 14 HH22 ARG 14 34.830 3.410 -2.949
106 H ARG 15 HN ARG 15 41.919 5.730 -1.376
107 HA ARG 15 HA ARG 15 41.083 8.473 -0.909
108 HB2 ARG 15 HB2 ARG 15 43.808 7.446 -0.100
109 HB3 ARG 15 HB1 ARG 15 43.477 9.152 -0.378
110 HG2 ARG 15 HG2 ARG 15 42.010 9.281 1.452
111 HG3 ARG 15 HG1 ARG 15 41.871 7.520 1.574
112 HD2 ARG 15 HD2 ARG 15 44.223 7.397 2.260
113 HD3 ARG 15 HD1 ARG 15 44.359 9.151 2.128
114 HE ARG 15 HE ARG 15 42.250 8.460 3.879
115 HH11 ARG 15 HH11 ARG 15 45.759 8.555 3.774
116 HH12 ARG 15 HH12 ARG 15 45.920 8.752 5.487
117 HH21 ARG 15 HH21 ARG 15 42.485 8.719 6.120
118 HH22 ARG 15 HH22 ARG 15 44.067 8.845 6.812
119 H GLY 16 HN GLY 16 41.401 9.747 -2.647
120 HA2 GLY 16 HA2 GLY 16 42.231 10.490 -4.684
121 HA3 GLY 16 HA1 GLY 16 43.403 9.177 -4.651
122 H THR 17 HN THR 17 39.926 8.792 -4.343
123 HA THR 17 HA THR 17 38.334 7.691 -5.491
124 HB THR 17 HB THR 17 38.248 7.848 -7.960
125 HG1 THR 17 HG1 THR 17 40.804 9.062 -7.650
126 HG21 THR 17 HG21 THR 17 38.091 10.292 -8.093
127 HG22 THR 17 HG22 THR 17 38.969 10.430 -6.570
128 HG23 THR 17 HG23 THR 17 37.376 9.677 -6.603
129 H PHE 18 HN PHE 18 40.936 6.243 -4.794
130 HA PHE 18 HA PHE 18 40.171 3.747 -6.059
131 HB2 PHE 18 HB2 PHE 18 42.587 3.150 -6.568
132 HB3 PHE 18 HB1 PHE 18 41.837 4.307 -7.650
133 HD1 PHE 18 HD1 PHE 18 43.960 4.255 -4.557
134 HD2 PHE 18 HD2 PHE 18 43.056 6.152 -8.262
135 HE1 PHE 18 HE1 PHE 18 45.871 5.771 -4.245
136 HE2 PHE 18 HE2 PHE 18 44.962 7.673 -7.948
137 HZ PHE 18 HZ PHE 18 46.372 7.485 -5.940
138 H CYS 19 HN CYS 19 40.672 1.914 -4.893
139 HA CYS 19 HA CYS 19 41.544 2.402 -2.131
140 HB2 CYS 19 HB2 CYS 19 40.145 -0.041 -3.246
141 HB3 CYS 19 HB1 CYS 19 40.395 0.356 -1.545
142 H PHE 20 HN PHE 20 43.489 1.729 -1.484
143 HA PHE 20 HA PHE 20 44.782 -0.454 -2.960
144 HB2 PHE 20 HB2 PHE 20 46.917 0.694 -2.915
145 HB3 PHE 20 HB1 PHE 20 45.716 1.755 -3.647
146 HD1 PHE 20 HD1 PHE 20 48.107 1.323 -0.998
147 HD2 PHE 20 HD2 PHE 20 44.796 3.666 -2.288
148 HE1 PHE 20 HE1 PHE 20 48.735 3.082 0.601
149 HE2 PHE 20 HE2 PHE 20 45.419 5.431 -0.689
150 HZ PHE 20 HZ PHE 20 47.389 5.133 0.762
151 HA PRO 21 HA PRO 21 45.735 -2.100 1.100
152 HB2 PRO 21 HB2 PRO 21 48.293 -3.230 0.380
153 HB3 PRO 21 HB1 PRO 21 46.730 -4.059 0.526
154 HG2 PRO 21 HG2 PRO 21 48.051 -3.734 -1.832
155 HG3 PRO 21 HG1 PRO 21 46.291 -3.910 -1.698
156 HD2 PRO 21 HD2 PRO 21 47.917 -1.417 -2.049
157 HD3 PRO 21 HD1 PRO 21 46.386 -1.887 -2.823
158 H ASP 22 HN ASP 22 46.503 -1.350 2.918
159 HA ASP 22 HA ASP 22 49.173 -0.412 3.324
160 HB2 ASP 22 HB2 ASP 22 48.020 1.567 2.198
161 HB3 ASP 22 HB1 ASP 22 46.995 1.673 3.626
162 H ASP 23 HN ASP 23 45.838 -0.137 4.560
163 HA ASP 23 HA ASP 23 46.715 -0.538 7.298
164 HB2 ASP 23 HB2 ASP 23 44.892 1.099 6.484
165 HB3 ASP 23 HB1 ASP 23 43.858 -0.321 6.353
166 H ASP 24 HN ASP 24 46.296 -2.595 4.814
167 HA ASP 24 HA ASP 24 44.752 -4.654 6.169
168 HB2 ASP 24 HB2 ASP 24 46.102 -4.548 3.468
169 HB3 ASP 24 HB1 ASP 24 45.300 -5.990 4.083
170 H TYR 25 HN TYR 25 48.107 -4.073 5.185
171 HA TYR 25 HA TYR 25 48.960 -6.522 6.552
172 HB2 TYR 25 HB2 TYR 25 49.707 -5.830 4.153
173 HB3 TYR 25 HB1 TYR 25 50.788 -4.719 4.984
174 HD1 TYR 25 HD1 TYR 25 52.676 -5.551 6.276
175 HD2 TYR 25 HD2 TYR 25 50.065 -8.232 4.254
176 HE1 TYR 25 HE1 TYR 25 54.321 -7.357 6.561
177 HE2 TYR 25 HE2 TYR 25 51.702 -10.046 4.534
178 HH TYR 25 HH TYR 25 54.368 -9.811 6.620
Start of MODEL 17
1 H1 PHE 1 HT1 PHE 1 42.962 -8.308 -15.814
2 H2 PHE 1 HT2 PHE 1 41.776 -8.216 -14.613
3 H3 PHE 1 HT3 PHE 1 41.976 -9.645 -15.493
4 HA PHE 1 HA PHE 1 42.915 -9.848 -13.287
5 HB2 PHE 1 HB2 PHE 1 43.937 -10.858 -15.477
6 HB3 PHE 1 HB1 PHE 1 45.242 -9.715 -15.184
7 HD1 PHE 1 HD1 PHE 1 43.574 -12.747 -14.006
8 HD2 PHE 1 HD2 PHE 1 46.742 -9.991 -13.309
9 HE1 PHE 1 HE1 PHE 1 44.610 -14.338 -12.443
10 HE2 PHE 1 HE2 PHE 1 47.784 -11.580 -11.744
11 HZ PHE 1 HZ PHE 1 46.717 -13.757 -11.310
12 H GLY 2 HN GLY 2 44.400 -7.250 -15.202
13 HA2 GLY 2 HA2 GLY 2 45.646 -6.194 -12.744
14 HA3 GLY 2 HA1 GLY 2 46.181 -5.836 -14.380
15 H VAL 3 HN VAL 3 45.327 -4.122 -12.067
16 HA VAL 3 HA VAL 3 44.285 -2.141 -11.687
17 HB VAL 3 HB VAL 3 43.540 -1.983 -14.619
18 HG11 VAL 3 HG11 VAL 3 44.176 0.155 -12.584
19 HG12 VAL 3 HG12 VAL 3 42.575 -0.256 -13.195
20 HG13 VAL 3 HG13 VAL 3 43.781 0.434 -14.280
21 HG21 VAL 3 HG21 VAL 3 45.909 -2.548 -14.515
22 HG22 VAL 3 HG22 VAL 3 46.187 -1.232 -13.374
23 HG23 VAL 3 HG23 VAL 3 45.692 -0.873 -15.029
24 H ARG 4 HN ARG 4 42.502 -2.122 -10.531
25 HA ARG 4 HA ARG 4 39.971 -2.997 -11.756
26 HB2 ARG 4 HB2 ARG 4 41.042 -3.654 -9.015
27 HB3 ARG 4 HB1 ARG 4 39.332 -3.770 -9.404
28 HG2 ARG 4 HG2 ARG 4 39.840 -5.404 -11.151
29 HG3 ARG 4 HG1 ARG 4 41.555 -5.287 -10.758
30 HD2 ARG 4 HD2 ARG 4 41.089 -6.090 -8.494
31 HD3 ARG 4 HD1 ARG 4 39.374 -6.205 -8.887
32 HE ARG 4 HE ARG 4 40.792 -7.719 -10.756
33 HH11 ARG 4 HH11 ARG 4 40.198 -9.550 -7.231
34 HH12 ARG 4 HH12 ARG 4 40.086 -7.824 -7.317
35 HH21 ARG 4 HH21 ARG 4 40.932 -9.977 -10.618
36 HH22 ARG 4 HH22 ARG 4 40.677 -10.767 -9.098
37 H VAL 5 HN VAL 5 38.147 -1.843 -11.228
38 HA VAL 5 HA VAL 5 38.402 0.406 -9.373
39 HB VAL 5 HB VAL 5 37.145 1.869 -11.056
40 HG11 VAL 5 HG11 VAL 5 39.225 2.609 -12.125
41 HG12 VAL 5 HG12 VAL 5 40.014 1.123 -11.596
42 HG13 VAL 5 HG13 VAL 5 39.438 2.288 -10.404
43 HG21 VAL 5 HG21 VAL 5 36.553 0.159 -12.701
44 HG22 VAL 5 HG22 VAL 5 38.261 -0.147 -13.016
45 HG23 VAL 5 HG23 VAL 5 37.553 1.413 -13.436
46 H GLY 6 HN GLY 6 36.780 0.402 -7.999
47 HA2 GLY 6 HA2 GLY 6 34.075 0.390 -8.575
48 HA3 GLY 6 HA1 GLY 6 34.507 -1.291 -8.301
49 H THR 7 HN THR 7 34.105 -1.953 -6.319
50 HA THR 7 HA THR 7 34.494 -0.081 -4.073
51 HB THR 7 HB THR 7 32.653 -1.391 -2.899
52 HG1 THR 7 HG1 THR 7 32.004 -3.064 -4.027
53 HG21 THR 7 HG21 THR 7 30.851 -0.089 -3.939
54 HG22 THR 7 HG22 THR 7 31.898 0.259 -5.314
55 HG23 THR 7 HG23 THR 7 32.304 0.885 -3.716
56 H CYS 8 HN CYS 8 35.848 -0.748 -2.557
57 HA CYS 8 HA CYS 8 36.741 -3.544 -2.584
58 HB2 CYS 8 HB2 CYS 8 38.694 -2.668 -1.274
59 HB3 CYS 8 HB1 CYS 8 38.541 -1.980 -2.892
60 HA PRO 9 HA PRO 9 34.799 -4.481 1.320
61 HB2 PRO 9 HB2 PRO 9 36.670 -6.129 2.481
62 HB3 PRO 9 HB1 PRO 9 35.561 -6.647 1.192
63 HG2 PRO 9 HG2 PRO 9 38.409 -5.789 0.997
64 HG3 PRO 9 HG1 PRO 9 37.580 -7.144 0.194
65 HD2 PRO 9 HD2 PRO 9 38.084 -4.858 -1.106
66 HD3 PRO 9 HD1 PRO 9 36.588 -5.771 -1.387
67 H SER 10 HN SER 10 35.054 -4.344 3.680
68 HA SER 10 HA SER 10 36.131 -1.890 4.514
69 HB2 SER 10 HB2 SER 10 35.584 -2.700 6.825
70 HB3 SER 10 HB1 SER 10 34.250 -2.828 5.680
71 HG SER 10 HG SER 10 36.005 -4.984 6.200
72 H GLY 11 HN GLY 11 37.931 -1.290 5.609
73 HA2 GLY 11 HA2 GLY 11 39.899 -1.658 6.899
74 HA3 GLY 11 HA1 GLY 11 39.912 -3.333 6.349
75 H TYR 12 HN TYR 12 39.526 -0.447 4.352
76 HA TYR 12 HA TYR 12 42.189 -0.872 3.182
77 HB2 TYR 12 HB2 TYR 12 39.546 -1.032 1.854
78 HB3 TYR 12 HB1 TYR 12 40.779 -0.105 0.994
79 HD1 TYR 12 HD1 TYR 12 42.808 -1.190 0.193
80 HD2 TYR 12 HD2 TYR 12 39.736 -3.424 2.100
81 HE1 TYR 12 HE1 TYR 12 43.803 -3.262 -0.659
82 HE2 TYR 12 HE2 TYR 12 40.719 -5.513 1.248
83 HH TYR 12 HH TYR 12 42.180 -6.248 -0.584
84 H VAL 13 HN VAL 13 42.955 1.003 1.887
85 HA VAL 13 HA VAL 13 42.070 3.507 3.150
86 HB VAL 13 HB VAL 13 44.646 2.955 1.638
87 HG11 VAL 13 HG11 VAL 13 45.421 5.104 2.540
88 HG12 VAL 13 HG12 VAL 13 43.831 5.378 3.252
89 HG13 VAL 13 HG13 VAL 13 44.013 5.313 1.499
90 HG21 VAL 13 HG21 VAL 13 44.613 1.741 3.729
91 HG22 VAL 13 HG22 VAL 13 44.118 3.192 4.599
92 HG23 VAL 13 HG23 VAL 13 45.718 3.112 3.862
93 H ARG 14 HN ARG 14 40.501 4.441 2.005
94 HA ARG 14 HA ARG 14 40.614 4.449 -0.933
95 HB2 ARG 14 HB2 ARG 14 38.352 5.204 0.920
96 HB3 ARG 14 HB1 ARG 14 38.254 5.114 -0.838
97 HG2 ARG 14 HG2 ARG 14 38.651 2.701 -0.748
98 HG3 ARG 14 HG1 ARG 14 38.749 2.783 1.016
99 HD2 ARG 14 HD2 ARG 14 36.557 2.058 0.527
100 HD3 ARG 14 HD1 ARG 14 36.412 3.759 0.962
101 HE ARG 14 HE ARG 14 36.701 3.492 -1.838
102 HH11 ARG 14 HH11 ARG 14 34.314 2.993 0.690
103 HH12 ARG 14 HH12 ARG 14 32.968 3.225 -0.375
104 HH21 ARG 14 HH21 ARG 14 33.316 3.677 -2.584
105 HH22 ARG 14 HH22 ARG 14 34.925 3.792 -3.214
106 H ARG 15 HN ARG 15 41.925 6.137 -1.481
107 HA ARG 15 HA ARG 15 40.940 8.813 -0.913
108 HB2 ARG 15 HB2 ARG 15 43.735 7.926 -0.167
109 HB3 ARG 15 HB1 ARG 15 43.265 9.613 -0.320
110 HG2 ARG 15 HG2 ARG 15 41.599 7.914 1.456
111 HG3 ARG 15 HG1 ARG 15 43.234 8.309 2.013
112 HD2 ARG 15 HD2 ARG 15 42.751 10.700 1.692
113 HD3 ARG 15 HD1 ARG 15 41.120 10.292 1.163
114 HE ARG 15 HE ARG 15 41.396 9.137 3.641
115 HH11 ARG 15 HH11 ARG 15 41.591 12.417 2.399
116 HH12 ARG 15 HH12 ARG 15 41.061 13.133 3.884
117 HH21 ARG 15 HH21 ARG 15 40.705 10.096 5.575
118 HH22 ARG 15 HH22 ARG 15 40.561 11.819 5.680
119 H GLY 16 HN GLY 16 41.105 10.104 -2.652
120 HA2 GLY 16 HA2 GLY 16 41.876 10.971 -4.661
121 HA3 GLY 16 HA1 GLY 16 43.190 9.796 -4.630
122 H THR 17 HN THR 17 39.807 8.942 -4.345
123 HA THR 17 HA THR 17 38.375 7.676 -5.528
124 HB THR 17 HB THR 17 38.252 7.880 -7.987
125 HG1 THR 17 HG1 THR 17 39.848 9.704 -8.693
126 HG21 THR 17 HG21 THR 17 37.167 9.557 -6.586
127 HG22 THR 17 HG22 THR 17 37.777 10.281 -8.073
128 HG23 THR 17 HG23 THR 17 38.650 10.510 -6.558
129 H PHE 18 HN PHE 18 41.139 6.594 -4.838
130 HA PHE 18 HA PHE 18 40.836 4.118 -6.371
131 HB2 PHE 18 HB2 PHE 18 43.258 3.850 -6.640
132 HB3 PHE 18 HB1 PHE 18 42.692 5.302 -7.447
133 HD1 PHE 18 HD1 PHE 18 43.433 7.475 -6.747
134 HD2 PHE 18 HD2 PHE 18 44.639 3.992 -4.622
135 HE1 PHE 18 HE1 PHE 18 45.164 8.784 -5.592
136 HE2 PHE 18 HE2 PHE 18 46.370 5.296 -3.460
137 HZ PHE 18 HZ PHE 18 46.635 7.695 -3.943
138 H CYS 19 HN CYS 19 40.999 2.289 -5.216
139 HA CYS 19 HA CYS 19 41.611 2.549 -2.350
140 HB2 CYS 19 HB2 CYS 19 39.310 1.803 -2.953
141 HB3 CYS 19 HB1 CYS 19 40.009 0.394 -3.752
142 H PHE 20 HN PHE 20 43.435 1.666 -1.623
143 HA PHE 20 HA PHE 20 44.579 -0.608 -3.081
144 HB2 PHE 20 HB2 PHE 20 46.823 0.315 -2.888
145 HB3 PHE 20 HB1 PHE 20 45.777 1.485 -3.691
146 HD1 PHE 20 HD1 PHE 20 44.931 3.462 -2.365
147 HD2 PHE 20 HD2 PHE 20 47.958 0.845 -0.913
148 HE1 PHE 20 HE1 PHE 20 45.602 5.159 -0.712
149 HE2 PHE 20 HE2 PHE 20 48.634 2.539 0.738
150 HZ PHE 20 HZ PHE 20 47.452 4.691 0.845
151 HA PRO 21 HA PRO 21 45.147 -2.375 1.005
152 HB2 PRO 21 HB2 PRO 21 47.532 -3.859 0.360
153 HB3 PRO 21 HB1 PRO 21 45.861 -4.453 0.433
154 HG2 PRO 21 HG2 PRO 21 47.323 -4.293 -1.865
155 HG3 PRO 21 HG1 PRO 21 45.551 -4.247 -1.804
156 HD2 PRO 21 HD2 PRO 21 47.490 -1.982 -2.077
157 HD3 PRO 21 HD1 PRO 21 45.936 -2.248 -2.899
158 H ASP 22 HN ASP 22 45.978 -1.775 2.857
159 HA ASP 22 HA ASP 22 48.743 -1.180 3.298
160 HB2 ASP 22 HB2 ASP 22 47.853 0.934 2.195
161 HB3 ASP 22 HB1 ASP 22 46.820 1.140 3.607
162 H ASP 23 HN ASP 23 45.456 -0.535 4.540
163 HA ASP 23 HA ASP 23 46.280 -1.015 7.276
164 HB2 ASP 23 HB2 ASP 23 44.588 0.756 6.433
165 HB3 ASP 23 HB1 ASP 23 43.446 -0.581 6.352
166 H ASP 24 HN ASP 24 45.348 -2.966 4.711
167 HA ASP 24 HA ASP 24 43.970 -4.935 6.382
168 HB2 ASP 24 HB2 ASP 24 43.662 -6.172 4.189
169 HB3 ASP 24 HB1 ASP 24 42.851 -4.617 4.309
170 H TYR 25 HN TYR 25 46.822 -4.716 4.263
171 HA TYR 25 HA TYR 25 48.066 -6.876 5.814
172 HB2 TYR 25 HB2 TYR 25 47.910 -6.679 2.806
173 HB3 TYR 25 HB1 TYR 25 49.123 -7.658 3.623
174 HD1 TYR 25 HD1 TYR 25 48.492 -9.690 4.810
175 HD2 TYR 25 HD2 TYR 25 45.575 -7.338 2.794
176 HE1 TYR 25 HE1 TYR 25 46.895 -11.554 4.958
177 HE2 TYR 25 HE2 TYR 25 43.970 -9.196 2.935
178 HH TYR 25 HH TYR 25 44.007 -11.647 3.187
Start of MODEL 18
1 H1 PHE 1 HT1 PHE 1 21.744 5.351 -14.612
2 H2 PHE 1 HT2 PHE 1 22.475 4.204 -13.607
3 H3 PHE 1 HT3 PHE 1 23.017 4.404 -15.197
4 HA PHE 1 HA PHE 1 24.537 5.420 -13.633
5 HB2 PHE 1 HB2 PHE 1 22.974 7.310 -15.403
6 HB3 PHE 1 HB1 PHE 1 24.491 7.746 -14.622
7 HD1 PHE 1 HD1 PHE 1 26.590 6.800 -15.365
8 HD2 PHE 1 HD2 PHE 1 22.922 5.755 -17.252
9 HE1 PHE 1 HE1 PHE 1 27.840 5.847 -17.258
10 HE2 PHE 1 HE2 PHE 1 24.165 4.799 -19.148
11 HZ PHE 1 HZ PHE 1 26.627 4.844 -19.152
12 H GLY 2 HN GLY 2 24.964 6.889 -11.986
13 HA2 GLY 2 HA2 GLY 2 23.278 8.766 -10.858
14 HA3 GLY 2 HA1 GLY 2 22.867 7.243 -10.084
15 H VAL 3 HN VAL 3 23.621 7.642 -8.064
16 HA VAL 3 HA VAL 3 26.532 7.937 -7.796
17 HB VAL 3 HB VAL 3 26.080 9.243 -5.639
18 HG11 VAL 3 HG11 VAL 3 25.969 11.382 -6.837
19 HG12 VAL 3 HG12 VAL 3 25.492 10.524 -8.303
20 HG13 VAL 3 HG13 VAL 3 27.085 10.247 -7.598
21 HG21 VAL 3 HG21 VAL 3 24.030 10.603 -5.590
22 HG22 VAL 3 HG22 VAL 3 23.673 8.882 -5.450
23 HG23 VAL 3 HG23 VAL 3 23.411 9.714 -6.982
24 H ARG 4 HN ARG 4 27.408 6.315 -6.745
25 HA ARG 4 HA ARG 4 25.862 4.940 -4.648
26 HB2 ARG 4 HB2 ARG 4 27.480 3.710 -6.876
27 HB3 ARG 4 HB1 ARG 4 27.081 2.825 -5.410
28 HG2 ARG 4 HG2 ARG 4 24.698 3.120 -5.878
29 HG3 ARG 4 HG1 ARG 4 25.100 4.009 -7.349
30 HD2 ARG 4 HD2 ARG 4 24.617 1.812 -8.049
31 HD3 ARG 4 HD1 ARG 4 26.374 1.943 -8.080
32 HE ARG 4 HE ARG 4 25.593 0.928 -5.585
33 HH11 ARG 4 HH11 ARG 4 25.808 -1.779 -8.544
34 HH12 ARG 4 HH12 ARG 4 25.666 -0.100 -8.943
35 HH21 ARG 4 HH21 ARG 4 25.780 -1.274 -5.088
36 HH22 ARG 4 HH22 ARG 4 25.873 -2.443 -6.363
37 H VAL 5 HN VAL 5 27.052 4.064 -2.932
38 HA VAL 5 HA VAL 5 29.886 4.828 -2.788
39 HB VAL 5 HB VAL 5 29.506 5.338 -0.312
40 HG11 VAL 5 HG11 VAL 5 28.344 7.191 -2.386
41 HG12 VAL 5 HG12 VAL 5 30.045 7.049 -1.943
42 HG13 VAL 5 HG13 VAL 5 28.876 7.662 -0.771
43 HG21 VAL 5 HG21 VAL 5 27.280 6.172 0.319
44 HG22 VAL 5 HG22 VAL 5 27.242 4.451 -0.062
45 HG23 VAL 5 HG23 VAL 5 26.638 5.626 -1.230
46 H GLY 6 HN GLY 6 31.200 3.259 -2.170
47 HA2 GLY 6 HA2 GLY 6 31.776 1.504 -0.592
48 HA3 GLY 6 HA1 GLY 6 30.100 0.991 -0.636
49 H THR 7 HN THR 7 32.960 1.348 -2.683
50 HA THR 7 HA THR 7 32.016 -0.853 -4.381
51 HB THR 7 HB THR 7 33.933 -0.140 -5.896
52 HG1 THR 7 HG1 THR 7 34.110 2.377 -5.204
53 HG21 THR 7 HG21 THR 7 32.681 1.737 -6.854
54 HG22 THR 7 HG22 THR 7 31.727 1.858 -5.376
55 HG23 THR 7 HG23 THR 7 31.603 0.420 -6.390
56 H CYS 8 HN CYS 8 34.841 0.231 -2.547
57 HA CYS 8 HA CYS 8 36.214 -2.296 -2.931
58 HB2 CYS 8 HB2 CYS 8 36.968 0.240 -1.462
59 HB3 CYS 8 HB1 CYS 8 38.008 -1.174 -1.605
60 HA PRO 9 HA PRO 9 34.860 -4.209 0.869
61 HB2 PRO 9 HB2 PRO 9 37.119 -5.569 1.638
62 HB3 PRO 9 HB1 PRO 9 36.046 -6.106 0.328
63 HG2 PRO 9 HG2 PRO 9 38.627 -4.622 0.163
64 HG3 PRO 9 HG1 PRO 9 38.042 -5.982 -0.823
65 HD2 PRO 9 HD2 PRO 9 37.948 -3.458 -1.726
66 HD3 PRO 9 HD1 PRO 9 36.673 -4.632 -2.113
67 H SER 10 HN SER 10 35.279 -4.371 3.202
68 HA SER 10 HA SER 10 36.161 -1.864 4.286
69 HB2 SER 10 HB2 SER 10 34.186 -3.169 5.135
70 HB3 SER 10 HB1 SER 10 35.318 -4.344 5.800
71 HG SER 10 HG SER 10 34.840 -2.899 7.413
72 H GLY 11 HN GLY 11 37.924 -1.396 5.500
73 HA2 GLY 11 HA2 GLY 11 39.844 -1.877 6.808
74 HA3 GLY 11 HA1 GLY 11 39.826 -3.525 6.183
75 H TYR 12 HN TYR 12 39.560 -0.621 4.219
76 HA TYR 12 HA TYR 12 42.288 -1.017 3.197
77 HB2 TYR 12 HB2 TYR 12 39.739 -1.276 1.748
78 HB3 TYR 12 HB1 TYR 12 40.906 -0.209 0.961
79 HD1 TYR 12 HD1 TYR 12 40.080 -3.643 1.812
80 HD2 TYR 12 HD2 TYR 12 43.099 -1.084 0.259
81 HE1 TYR 12 HE1 TYR 12 41.259 -5.600 0.898
82 HE2 TYR 12 HE2 TYR 12 44.289 -3.026 -0.655
83 HH TYR 12 HH TYR 12 42.881 -6.108 -0.879
84 H VAL 13 HN VAL 13 43.014 0.890 1.823
85 HA VAL 13 HA VAL 13 42.142 3.368 3.142
86 HB VAL 13 HB VAL 13 44.654 2.891 1.504
87 HG11 VAL 13 HG11 VAL 13 45.440 5.017 2.447
88 HG12 VAL 13 HG12 VAL 13 43.884 5.237 3.245
89 HG13 VAL 13 HG13 VAL 13 43.979 5.240 1.485
90 HG21 VAL 13 HG21 VAL 13 44.860 1.603 3.487
91 HG22 VAL 13 HG22 VAL 13 44.205 2.906 4.480
92 HG23 VAL 13 HG23 VAL 13 45.796 3.077 3.739
93 H ARG 14 HN ARG 14 40.522 4.299 2.067
94 HA ARG 14 HA ARG 14 40.467 4.276 -0.869
95 HB2 ARG 14 HB2 ARG 14 38.337 5.192 1.066
96 HB3 ARG 14 HB1 ARG 14 38.142 4.945 -0.668
97 HG2 ARG 14 HG2 ARG 14 38.497 2.540 -0.374
98 HG3 ARG 14 HG1 ARG 14 38.686 2.782 1.366
99 HD2 ARG 14 HD2 ARG 14 36.213 3.601 -0.143
100 HD3 ARG 14 HD1 ARG 14 36.408 2.001 0.571
101 HE ARG 14 HE ARG 14 36.935 3.897 2.552
102 HH11 ARG 14 HH11 ARG 14 34.185 2.808 0.657
103 HH12 ARG 14 HH12 ARG 14 33.030 3.233 1.876
104 HH21 ARG 14 HH21 ARG 14 33.722 4.158 3.843
105 HH22 ARG 14 HH22 ARG 14 35.406 4.446 4.133
106 H ARG 15 HN ARG 15 41.778 5.920 -1.546
107 HA ARG 15 HA ARG 15 40.894 8.632 -0.983
108 HB2 ARG 15 HB2 ARG 15 43.693 7.677 -0.360
109 HB3 ARG 15 HB1 ARG 15 43.289 9.376 -0.573
110 HG2 ARG 15 HG2 ARG 15 41.944 9.414 1.349
111 HG3 ARG 15 HG1 ARG 15 41.853 7.650 1.430
112 HD2 ARG 15 HD2 ARG 15 44.246 7.565 1.965
113 HD3 ARG 15 HD1 ARG 15 44.335 9.325 1.873
114 HE ARG 15 HE ARG 15 42.358 8.666 3.726
115 HH11 ARG 15 HH11 ARG 15 45.845 8.366 3.431
116 HH12 ARG 15 HH12 ARG 15 46.109 8.417 5.141
117 HH21 ARG 15 HH21 ARG 15 42.728 8.732 5.962
118 HH22 ARG 15 HH22 ARG 15 44.345 8.625 6.573
119 H GLY 16 HN GLY 16 40.981 9.884 -2.752
120 HA2 GLY 16 HA2 GLY 16 41.653 10.700 -4.817
121 HA3 GLY 16 HA1 GLY 16 42.938 9.496 -4.843
122 H THR 17 HN THR 17 39.623 8.566 -4.301
123 HA THR 17 HA THR 17 38.066 7.406 -5.473
124 HB THR 17 HB THR 17 39.368 7.893 -8.131
125 HG1 THR 17 HG1 THR 17 37.787 9.961 -7.565
126 HG21 THR 17 HG21 THR 17 37.252 6.660 -8.027
127 HG22 THR 17 HG22 THR 17 37.037 8.212 -8.839
128 HG23 THR 17 HG23 THR 17 36.502 8.008 -7.170
129 H PHE 18 HN PHE 18 40.816 6.298 -4.723
130 HA PHE 18 HA PHE 18 40.437 3.713 -6.026
131 HB2 PHE 18 HB2 PHE 18 42.871 3.413 -6.398
132 HB3 PHE 18 HB1 PHE 18 42.193 4.705 -7.377
133 HD1 PHE 18 HD1 PHE 18 42.899 6.978 -7.084
134 HD2 PHE 18 HD2 PHE 18 44.373 3.914 -4.527
135 HE1 PHE 18 HE1 PHE 18 44.647 8.504 -6.270
136 HE2 PHE 18 HE2 PHE 18 46.123 5.436 -3.706
137 HZ PHE 18 HZ PHE 18 46.262 7.734 -4.577
138 H CYS 19 HN CYS 19 41.234 1.921 -4.853
139 HA CYS 19 HA CYS 19 41.915 2.495 -2.044
140 HB2 CYS 19 HB2 CYS 19 40.660 0.463 -1.412
141 HB3 CYS 19 HB1 CYS 19 39.625 1.664 -2.187
142 H PHE 20 HN PHE 20 43.833 1.760 -1.455
143 HA PHE 20 HA PHE 20 44.960 -0.546 -2.888
144 HB2 PHE 20 HB2 PHE 20 47.174 0.448 -2.731
145 HB3 PHE 20 HB1 PHE 20 46.076 1.600 -3.489
146 HD1 PHE 20 HD1 PHE 20 45.224 3.540 -2.131
147 HD2 PHE 20 HD2 PHE 20 48.315 0.960 -0.748
148 HE1 PHE 20 HE1 PHE 20 45.880 5.223 -0.460
149 HE2 PHE 20 HE2 PHE 20 48.976 2.640 0.921
150 HZ PHE 20 HZ PHE 20 47.754 4.766 1.071
151 HA PRO 21 HA PRO 21 45.627 -2.368 1.153
152 HB2 PRO 21 HB2 PRO 21 48.128 -3.659 0.458
153 HB3 PRO 21 HB1 PRO 21 46.514 -4.386 0.593
154 HG2 PRO 21 HG2 PRO 21 47.844 -4.150 -1.758
155 HG3 PRO 21 HG1 PRO 21 46.074 -4.158 -1.628
156 HD2 PRO 21 HD2 PRO 21 47.930 -1.825 -1.941
157 HD3 PRO 21 HD1 PRO 21 46.374 -2.148 -2.739
158 H ASP 22 HN ASP 22 46.411 -1.769 3.024
159 HA ASP 22 HA ASP 22 49.111 -1.035 3.552
160 HB2 ASP 22 HB2 ASP 22 48.167 1.045 2.392
161 HB3 ASP 22 HB1 ASP 22 47.131 1.240 3.802
162 H ASP 23 HN ASP 23 45.751 -0.524 4.634
163 HA ASP 23 HA ASP 23 46.455 -0.907 7.416
164 HB2 ASP 23 HB2 ASP 23 44.721 0.751 6.502
165 HB3 ASP 23 HB1 ASP 23 43.669 -0.641 6.280
166 H ASP 24 HN ASP 24 45.480 -2.863 4.780
167 HA ASP 24 HA ASP 24 44.567 -4.998 6.582
168 HB2 ASP 24 HB2 ASP 24 43.693 -6.089 4.470
169 HB3 ASP 24 HB1 ASP 24 42.894 -4.593 4.934
170 H TYR 25 HN TYR 25 46.430 -5.893 7.283
171 HA TYR 25 HA TYR 25 48.185 -7.105 5.250
172 HB2 TYR 25 HB2 TYR 25 49.106 -5.154 6.723
173 HB3 TYR 25 HB1 TYR 25 49.178 -6.371 7.992
174 HD1 TYR 25 HD1 TYR 25 50.764 -8.220 7.855
175 HD2 TYR 25 HD2 TYR 25 50.608 -5.243 4.820
176 HE1 TYR 25 HE1 TYR 25 52.944 -8.978 7.006
177 HE2 TYR 25 HE2 TYR 25 52.786 -5.992 3.962
178 HH TYR 25 HH TYR 25 54.228 -8.911 4.910
Start of MODEL 19
1 H1 PHE 1 HT1 PHE 1 28.661 15.259 -12.885
2 H2 PHE 1 HT2 PHE 1 27.701 16.623 -13.166
3 H3 PHE 1 HT3 PHE 1 28.067 15.570 -14.440
4 HA PHE 1 HA PHE 1 26.446 14.895 -12.054
5 HB2 PHE 1 HB2 PHE 1 25.529 16.478 -13.938
6 HB3 PHE 1 HB1 PHE 1 25.415 14.992 -14.874
7 HD1 PHE 1 HD1 PHE 1 24.072 16.891 -12.068
8 HD2 PHE 1 HD2 PHE 1 23.835 13.250 -14.258
9 HE1 PHE 1 HE1 PHE 1 21.900 16.405 -11.017
10 HE2 PHE 1 HE2 PHE 1 21.663 12.757 -13.212
11 HZ PHE 1 HZ PHE 1 20.693 14.336 -11.590
12 H GLY 2 HN GLY 2 25.916 12.778 -11.812
13 HA2 GLY 2 HA2 GLY 2 25.549 10.653 -13.219
14 HA3 GLY 2 HA1 GLY 2 27.242 10.879 -13.633
15 H VAL 3 HN VAL 3 26.153 8.579 -12.401
16 HA VAL 3 HA VAL 3 27.625 8.627 -9.859
17 HB VAL 3 HB VAL 3 25.952 6.895 -8.991
18 HG11 VAL 3 HG11 VAL 3 24.429 8.635 -8.156
19 HG12 VAL 3 HG12 VAL 3 25.091 9.760 -9.342
20 HG13 VAL 3 HG13 VAL 3 26.123 9.117 -8.064
21 HG21 VAL 3 HG21 VAL 3 24.749 6.435 -11.070
22 HG22 VAL 3 HG22 VAL 3 24.210 8.113 -11.144
23 HG23 VAL 3 HG23 VAL 3 23.651 7.065 -9.841
24 H ARG 4 HN ARG 4 29.106 7.097 -9.651
25 HA ARG 4 HA ARG 4 29.163 4.923 -11.630
26 HB2 ARG 4 HB2 ARG 4 31.348 6.273 -10.051
27 HB3 ARG 4 HB1 ARG 4 31.608 4.754 -10.895
28 HG2 ARG 4 HG2 ARG 4 30.998 5.837 -13.012
29 HG3 ARG 4 HG1 ARG 4 30.770 7.361 -12.154
30 HD2 ARG 4 HD2 ARG 4 33.367 5.841 -12.106
31 HD3 ARG 4 HD1 ARG 4 32.992 7.041 -13.343
32 HE ARG 4 HE ARG 4 32.582 8.181 -10.807
33 HH11 ARG 4 HH11 ARG 4 36.371 8.220 -12.138
34 HH12 ARG 4 HH12 ARG 4 35.241 7.108 -12.834
35 HH21 ARG 4 HH21 ARG 4 34.077 9.630 -9.912
36 HH22 ARG 4 HH22 ARG 4 35.712 9.645 -10.485
37 H VAL 5 HN VAL 5 29.787 2.805 -10.977
38 HA VAL 5 HA VAL 5 29.242 2.226 -8.141
39 HB VAL 5 HB VAL 5 28.446 -0.061 -8.938
40 HG11 VAL 5 HG11 VAL 5 26.938 1.621 -8.063
41 HG12 VAL 5 HG12 VAL 5 26.179 0.747 -9.393
42 HG13 VAL 5 HG13 VAL 5 26.817 2.370 -9.653
43 HG21 VAL 5 HG21 VAL 5 29.320 0.172 -11.284
44 HG22 VAL 5 HG22 VAL 5 28.028 1.335 -11.585
45 HG23 VAL 5 HG23 VAL 5 27.634 -0.333 -11.170
46 H GLY 6 HN GLY 6 30.658 1.043 -7.029
47 HA2 GLY 6 HA2 GLY 6 32.233 -1.021 -7.555
48 HA3 GLY 6 HA1 GLY 6 33.129 0.254 -8.370
49 H THR 7 HN THR 7 32.111 -1.044 -5.305
50 HA THR 7 HA THR 7 33.840 0.874 -3.887
51 HB THR 7 HB THR 7 32.641 0.011 -1.811
52 HG1 THR 7 HG1 THR 7 31.701 -1.851 -2.752
53 HG21 THR 7 HG21 THR 7 30.687 1.452 -2.157
54 HG22 THR 7 HG22 THR 7 31.000 1.462 -3.892
55 HG23 THR 7 HG23 THR 7 32.155 2.202 -2.782
56 H CYS 8 HN CYS 8 35.228 0.111 -2.227
57 HA CYS 8 HA CYS 8 36.254 -2.584 -2.744
58 HB2 CYS 8 HB2 CYS 8 38.268 -1.745 -1.466
59 HB3 CYS 8 HB1 CYS 8 37.934 -0.905 -2.981
60 HA PRO 9 HA PRO 9 34.825 -4.274 1.124
61 HB2 PRO 9 HB2 PRO 9 36.954 -5.855 1.864
62 HB3 PRO 9 HB1 PRO 9 35.772 -6.306 0.617
63 HG2 PRO 9 HG2 PRO 9 38.488 -5.119 0.297
64 HG3 PRO 9 HG1 PRO 9 37.716 -6.436 -0.618
65 HD2 PRO 9 HD2 PRO 9 37.852 -3.963 -1.620
66 HD3 PRO 9 HD1 PRO 9 36.421 -4.981 -1.877
67 H SER 10 HN SER 10 35.289 -4.448 3.447
68 HA SER 10 HA SER 10 36.351 -2.026 4.497
69 HB2 SER 10 HB2 SER 10 35.826 -3.073 6.721
70 HB3 SER 10 HB1 SER 10 34.469 -3.041 5.596
71 HG SER 10 HG SER 10 36.125 -5.243 6.261
72 H GLY 11 HN GLY 11 38.154 -1.618 5.710
73 HA2 GLY 11 HA2 GLY 11 40.139 -2.177 6.888
74 HA3 GLY 11 HA1 GLY 11 40.108 -3.769 6.133
75 H TYR 12 HN TYR 12 39.656 -0.787 4.353
76 HA TYR 12 HA TYR 12 42.369 -0.958 3.236
77 HB2 TYR 12 HB2 TYR 12 39.801 -1.349 1.834
78 HB3 TYR 12 HB1 TYR 12 40.913 -0.228 1.044
79 HD1 TYR 12 HD1 TYR 12 42.992 -0.993 0.112
80 HD2 TYR 12 HD2 TYR 12 40.374 -3.711 2.071
81 HE1 TYR 12 HE1 TYR 12 44.254 -2.878 -0.834
82 HE2 TYR 12 HE2 TYR 12 41.625 -5.608 1.126
83 HH TYR 12 HH TYR 12 43.103 -6.073 -0.780
84 H VAL 13 HN VAL 13 43.014 1.016 2.045
85 HA VAL 13 HA VAL 13 41.852 3.397 3.323
86 HB VAL 13 HB VAL 13 44.505 3.195 1.859
87 HG11 VAL 13 HG11 VAL 13 43.635 5.472 1.920
88 HG12 VAL 13 HG12 VAL 13 45.034 5.317 2.983
89 HG13 VAL 13 HG13 VAL 13 43.409 5.355 3.666
90 HG21 VAL 13 HG21 VAL 13 43.971 3.152 4.829
91 HG22 VAL 13 HG22 VAL 13 45.560 3.200 4.066
92 HG23 VAL 13 HG23 VAL 13 44.523 1.788 3.856
93 H ARG 14 HN ARG 14 40.399 4.471 2.154
94 HA ARG 14 HA ARG 14 40.451 4.300 -0.776
95 HB2 ARG 14 HB2 ARG 14 38.284 5.436 0.988
96 HB3 ARG 14 HB1 ARG 14 38.159 5.041 -0.726
97 HG2 ARG 14 HG2 ARG 14 38.367 2.667 -0.217
98 HG3 ARG 14 HG1 ARG 14 38.534 3.044 1.505
99 HD2 ARG 14 HD2 ARG 14 36.295 4.054 1.482
100 HD3 ARG 14 HD1 ARG 14 36.131 3.636 -0.223
101 HE ARG 14 HE ARG 14 36.709 1.277 1.086
102 HH11 ARG 14 HH11 ARG 14 34.129 3.658 1.226
103 HH12 ARG 14 HH12 ARG 14 32.937 2.504 1.725
104 HH21 ARG 14 HH21 ARG 14 33.506 0.315 2.017
105 HH22 ARG 14 HH22 ARG 14 35.132 -0.215 1.740
106 H ARG 15 HN ARG 15 41.864 5.836 -1.477
107 HA ARG 15 HA ARG 15 41.086 8.612 -1.132
108 HB2 ARG 15 HB2 ARG 15 43.799 7.584 -0.276
109 HB3 ARG 15 HB1 ARG 15 43.490 9.278 -0.635
110 HG2 ARG 15 HG2 ARG 15 41.692 7.938 1.321
111 HG3 ARG 15 HG1 ARG 15 43.347 8.304 1.834
112 HD2 ARG 15 HD2 ARG 15 41.533 10.359 0.586
113 HD3 ARG 15 HD1 ARG 15 41.589 10.070 2.323
114 HE ARG 15 HE ARG 15 44.201 10.509 1.406
115 HH11 ARG 15 HH11 ARG 15 41.224 12.323 1.842
116 HH12 ARG 15 HH12 ARG 15 42.043 13.832 2.074
117 HH21 ARG 15 HH21 ARG 15 45.250 12.497 1.712
118 HH22 ARG 15 HH22 ARG 15 44.321 13.928 2.001
119 H GLY 16 HN GLY 16 41.439 9.803 -2.925
120 HA2 GLY 16 HA2 GLY 16 42.299 10.439 -4.982
121 HA3 GLY 16 HA1 GLY 16 43.443 9.104 -4.885
122 H THR 17 HN THR 17 39.917 8.963 -4.688
123 HA THR 17 HA THR 17 38.313 7.844 -5.810
124 HB THR 17 HB THR 17 38.356 7.855 -8.302
125 HG1 THR 17 HG1 THR 17 40.645 9.461 -8.285
126 HG21 THR 17 HG21 THR 17 39.046 10.484 -6.984
127 HG22 THR 17 HG22 THR 17 37.442 9.754 -7.071
128 HG23 THR 17 HG23 THR 17 38.248 10.292 -8.544
129 H PHE 18 HN PHE 18 40.815 6.303 -4.959
130 HA PHE 18 HA PHE 18 39.927 3.763 -5.982
131 HB2 PHE 18 HB2 PHE 18 42.313 3.041 -6.600
132 HB3 PHE 18 HB1 PHE 18 41.441 4.025 -7.760
133 HD1 PHE 18 HD1 PHE 18 43.790 4.526 -4.870
134 HD2 PHE 18 HD2 PHE 18 42.642 5.664 -8.812
135 HE1 PHE 18 HE1 PHE 18 45.700 6.071 -4.980
136 HE2 PHE 18 HE2 PHE 18 44.546 7.212 -8.921
137 HZ PHE 18 HZ PHE 18 46.079 7.418 -7.006
138 H CYS 19 HN CYS 19 40.600 1.986 -4.753
139 HA CYS 19 HA CYS 19 41.592 2.708 -2.087
140 HB2 CYS 19 HB2 CYS 19 40.293 0.114 -2.945
141 HB3 CYS 19 HB1 CYS 19 40.565 0.678 -1.295
142 H PHE 20 HN PHE 20 43.540 2.070 -1.389
143 HA PHE 20 HA PHE 20 44.962 0.029 -2.950
144 HB2 PHE 20 HB2 PHE 20 47.055 1.202 -2.555
145 HB3 PHE 20 HB1 PHE 20 45.889 2.316 -3.269
146 HD1 PHE 20 HD1 PHE 20 44.811 4.049 -1.832
147 HD2 PHE 20 HD2 PHE 20 47.987 1.589 -0.427
148 HE1 PHE 20 HE1 PHE 20 45.197 5.611 0.030
149 HE2 PHE 20 HE2 PHE 20 48.377 3.146 1.433
150 HZ PHE 20 HZ PHE 20 46.979 5.152 1.667
151 HA PRO 21 HA PRO 21 45.570 -2.132 0.924
152 HB2 PRO 21 HB2 PRO 21 48.179 -3.184 0.236
153 HB3 PRO 21 HB1 PRO 21 46.612 -4.019 0.206
154 HG2 PRO 21 HG2 PRO 21 48.039 -3.451 -2.030
155 HG3 PRO 21 HG1 PRO 21 46.269 -3.585 -2.002
156 HD2 PRO 21 HD2 PRO 21 47.973 -1.118 -1.959
157 HD3 PRO 21 HD1 PRO 21 46.491 -1.453 -2.882
158 H ASP 22 HN ASP 22 46.241 -1.723 2.885
159 HA ASP 22 HA ASP 22 48.851 -0.880 3.629
160 HB2 ASP 22 HB2 ASP 22 47.799 1.259 2.665
161 HB3 ASP 22 HB1 ASP 22 46.723 1.224 4.059
162 H ASP 23 HN ASP 23 45.419 -0.713 4.592
163 HA ASP 23 HA ASP 23 46.134 -1.699 7.263
164 HB2 ASP 23 HB2 ASP 23 44.844 0.510 6.898
165 HB3 ASP 23 HB1 ASP 23 43.473 -0.510 6.480
166 H ASP 24 HN ASP 24 45.568 -3.156 4.545
167 HA ASP 24 HA ASP 24 43.236 -4.742 5.102
168 HB2 ASP 24 HB2 ASP 24 43.961 -6.062 3.088
169 HB3 ASP 24 HB1 ASP 24 43.725 -4.346 2.792
170 H TYR 25 HN TYR 25 43.398 -5.898 6.934
171 HA TYR 25 HA TYR 25 45.734 -7.597 7.395
172 HB2 TYR 25 HB2 TYR 25 43.398 -6.831 9.152
173 HB3 TYR 25 HB1 TYR 25 44.593 -8.035 9.621
174 HD1 TYR 25 HD1 TYR 25 43.936 -4.478 9.130
175 HD2 TYR 25 HD2 TYR 25 46.891 -7.368 10.141
176 HE1 TYR 25 HE1 TYR 25 45.374 -2.689 10.015
177 HE2 TYR 25 HE2 TYR 25 48.337 -5.587 11.028
178 HH TYR 25 HH TYR 25 48.650 -3.167 10.766
Start of MODEL 20
1 H1 PHE 1 HT1 PHE 1 25.335 3.586 13.033
2 H2 PHE 1 HT2 PHE 1 23.972 4.403 12.454
3 H3 PHE 1 HT3 PHE 1 25.511 5.074 12.246
4 HA PHE 1 HA PHE 1 24.698 4.121 10.191
5 HB2 PHE 1 HB2 PHE 1 27.023 2.698 11.503
6 HB3 PHE 1 HB1 PHE 1 26.635 2.544 9.793
7 HD1 PHE 1 HD1 PHE 1 27.941 4.748 12.398
8 HD2 PHE 1 HD2 PHE 1 27.010 4.379 8.261
9 HE1 PHE 1 HE1 PHE 1 29.268 6.765 11.923
10 HE2 PHE 1 HE2 PHE 1 28.336 6.395 7.779
11 HZ PHE 1 HZ PHE 1 29.467 7.591 9.611
12 H GLY 2 HN GLY 2 23.734 2.489 9.075
13 HA2 GLY 2 HA2 GLY 2 22.766 0.213 10.687
14 HA3 GLY 2 HA1 GLY 2 21.908 0.909 9.321
15 H VAL 3 HN VAL 3 22.674 0.507 7.196
16 HA VAL 3 HA VAL 3 24.691 -1.593 6.901
17 HB VAL 3 HB VAL 3 23.185 -2.729 5.172
18 HG11 VAL 3 HG11 VAL 3 23.772 -3.758 7.283
19 HG12 VAL 3 HG12 VAL 3 22.095 -4.117 6.875
20 HG13 VAL 3 HG13 VAL 3 22.465 -2.895 8.092
21 HG21 VAL 3 HG21 VAL 3 21.024 -1.261 6.698
22 HG22 VAL 3 HG22 VAL 3 20.759 -2.567 5.543
23 HG23 VAL 3 HG23 VAL 3 21.433 -1.031 4.998
24 H ARG 4 HN ARG 4 26.126 -1.012 5.449
25 HA ARG 4 HA ARG 4 25.275 0.600 3.136
26 HB2 ARG 4 HB2 ARG 4 27.682 1.008 4.907
27 HB3 ARG 4 HB1 ARG 4 27.589 1.678 3.285
28 HG2 ARG 4 HG2 ARG 4 25.591 2.939 3.920
29 HG3 ARG 4 HG1 ARG 4 25.684 2.265 5.547
30 HD2 ARG 4 HD2 ARG 4 26.664 4.403 5.692
31 HD3 ARG 4 HD1 ARG 4 28.010 3.266 5.676
32 HE ARG 4 HE ARG 4 27.522 4.058 3.043
33 HH11 ARG 4 HH11 ARG 4 29.638 6.696 5.211
34 HH12 ARG 4 HH12 ARG 4 28.672 5.511 6.026
35 HH21 ARG 4 HH21 ARG 4 28.793 5.617 1.999
36 HH22 ARG 4 HH22 ARG 4 29.704 6.755 2.932
37 H VAL 5 HN VAL 5 26.314 0.206 1.196
38 HA VAL 5 HA VAL 5 28.227 -2.022 1.127
39 HB VAL 5 HB VAL 5 27.096 -2.788 -1.036
40 HG11 VAL 5 HG11 VAL 5 25.664 -3.157 1.589
41 HG12 VAL 5 HG12 VAL 5 27.043 -4.086 1.005
42 HG13 VAL 5 HG13 VAL 5 25.493 -4.196 0.174
43 HG21 VAL 5 HG21 VAL 5 24.771 -1.231 0.113
44 HG22 VAL 5 HG22 VAL 5 24.682 -2.371 -1.230
45 HG23 VAL 5 HG23 VAL 5 25.608 -0.880 -1.400
46 H GLY 6 HN GLY 6 30.028 -1.472 0.140
47 HA2 GLY 6 HA2 GLY 6 29.951 0.703 -1.858
48 HA3 GLY 6 HA1 GLY 6 31.325 0.355 -0.821
49 H THR 7 HN THR 7 32.601 0.310 -2.754
50 HA THR 7 HA THR 7 32.209 -2.064 -4.432
51 HB THR 7 HB THR 7 32.322 -0.016 -5.730
52 HG1 THR 7 HG1 THR 7 33.649 -0.842 -7.223
53 HG21 THR 7 HG21 THR 7 33.634 1.471 -4.369
54 HG22 THR 7 HG22 THR 7 34.471 1.263 -5.904
55 HG23 THR 7 HG23 THR 7 35.039 0.409 -4.473
56 H CYS 8 HN CYS 8 34.612 -0.449 -2.413
57 HA CYS 8 HA CYS 8 36.514 -2.620 -2.778
58 HB2 CYS 8 HB2 CYS 8 36.691 0.008 -1.294
59 HB3 CYS 8 HB1 CYS 8 37.996 -1.164 -1.406
60 HA PRO 9 HA PRO 9 35.401 -4.728 1.001
61 HB2 PRO 9 HB2 PRO 9 37.835 -5.692 1.820
62 HB3 PRO 9 HB1 PRO 9 36.896 -6.400 0.489
63 HG2 PRO 9 HG2 PRO 9 39.207 -4.522 0.378
64 HG3 PRO 9 HG1 PRO 9 38.861 -5.949 -0.626
65 HD2 PRO 9 HD2 PRO 9 38.390 -3.447 -1.500
66 HD3 PRO 9 HD1 PRO 9 37.351 -4.814 -1.954
67 H SER 10 HN SER 10 35.798 -4.807 3.345
68 HA SER 10 HA SER 10 36.262 -2.175 4.411
69 HB2 SER 10 HB2 SER 10 35.591 -4.776 5.806
70 HB3 SER 10 HB1 SER 10 35.591 -3.185 6.566
71 HG SER 10 HG SER 10 34.042 -3.717 4.268
72 H GLY 11 HN GLY 11 37.872 -1.467 5.729
73 HA2 GLY 11 HA2 GLY 11 39.782 -1.657 7.111
74 HA3 GLY 11 HA1 GLY 11 40.014 -3.302 6.526
75 H TYR 12 HN TYR 12 39.362 -0.985 4.102
76 HA TYR 12 HA TYR 12 42.193 -0.974 3.302
77 HB2 TYR 12 HB2 TYR 12 39.660 -1.309 1.832
78 HB3 TYR 12 HB1 TYR 12 40.822 -0.229 1.056
79 HD1 TYR 12 HD1 TYR 12 40.260 -3.680 2.247
80 HD2 TYR 12 HD2 TYR 12 42.816 -1.064 0.076
81 HE1 TYR 12 HE1 TYR 12 41.487 -5.622 1.365
82 HE2 TYR 12 HE2 TYR 12 44.055 -2.994 -0.806
83 HH TYR 12 HH TYR 12 44.478 -5.343 -0.212
84 H VAL 13 HN VAL 13 42.908 0.959 2.043
85 HA VAL 13 HA VAL 13 41.858 3.393 3.314
86 HB VAL 13 HB VAL 13 44.494 3.016 1.853
87 HG11 VAL 13 HG11 VAL 13 43.739 5.339 1.788
88 HG12 VAL 13 HG12 VAL 13 45.135 5.165 2.852
89 HG13 VAL 13 HG13 VAL 13 43.519 5.327 3.539
90 HG21 VAL 13 HG21 VAL 13 43.910 3.114 4.811
91 HG22 VAL 13 HG22 VAL 13 45.520 3.130 4.093
92 HG23 VAL 13 HG23 VAL 13 44.480 1.719 3.896
93 H ARG 14 HN ARG 14 40.395 4.460 2.151
94 HA ARG 14 HA ARG 14 40.445 4.314 -0.781
95 HB2 ARG 14 HB2 ARG 14 38.295 5.454 1.003
96 HB3 ARG 14 HB1 ARG 14 38.159 5.095 -0.716
97 HG2 ARG 14 HG2 ARG 14 38.377 2.696 -0.231
98 HG3 ARG 14 HG1 ARG 14 38.476 3.065 1.494
99 HD2 ARG 14 HD2 ARG 14 36.235 2.447 1.106
100 HD3 ARG 14 HD1 ARG 14 36.225 4.204 1.234
101 HE ARG 14 HE ARG 14 36.496 3.607 -1.459
102 HH11 ARG 14 HH11 ARG 14 34.076 3.067 1.029
103 HH12 ARG 14 HH12 ARG 14 32.757 3.065 -0.094
104 HH21 ARG 14 HH21 ARG 14 33.144 3.367 -2.322
105 HH22 ARG 14 HH22 ARG 14 34.756 3.600 -2.909
106 H ARG 15 HN ARG 15 41.881 5.838 -1.468
107 HA ARG 15 HA ARG 15 41.138 8.622 -1.106
108 HB2 ARG 15 HB2 ARG 15 43.817 7.542 -0.213
109 HB3 ARG 15 HB1 ARG 15 43.556 9.241 -0.585
110 HG2 ARG 15 HG2 ARG 15 42.066 9.518 1.215
111 HG3 ARG 15 HG1 ARG 15 41.880 7.773 1.436
112 HD2 ARG 15 HD2 ARG 15 44.226 7.630 2.146
113 HD3 ARG 15 HD1 ARG 15 44.404 9.369 1.920
114 HE ARG 15 HE ARG 15 42.270 8.916 3.676
115 HH11 ARG 15 HH11 ARG 15 45.765 8.571 3.646
116 HH12 ARG 15 HH12 ARG 15 45.916 8.781 5.359
117 HH21 ARG 15 HH21 ARG 15 42.491 9.183 5.916
118 HH22 ARG 15 HH22 ARG 15 44.063 9.126 6.642
119 H GLY 16 HN GLY 16 41.550 9.834 -2.875
120 HA2 GLY 16 HA2 GLY 16 42.451 10.479 -4.913
121 HA3 GLY 16 HA1 GLY 16 43.564 9.116 -4.820
122 H THR 17 HN THR 17 40.023 9.126 -4.717
123 HA THR 17 HA THR 17 38.409 8.062 -5.878
124 HB THR 17 HB THR 17 38.527 8.081 -8.369
125 HG1 THR 17 HG1 THR 17 40.323 9.025 -9.356
126 HG21 THR 17 HG21 THR 17 38.520 10.525 -8.599
127 HG22 THR 17 HG22 THR 17 39.270 10.674 -7.009
128 HG23 THR 17 HG23 THR 17 37.644 10.005 -7.158
129 H PHE 18 HN PHE 18 40.826 6.413 -4.972
130 HA PHE 18 HA PHE 18 39.849 3.911 -5.980
131 HB2 PHE 18 HB2 PHE 18 42.193 3.095 -6.652
132 HB3 PHE 18 HB1 PHE 18 41.324 4.095 -7.799
133 HD1 PHE 18 HD1 PHE 18 43.784 4.524 -4.993
134 HD2 PHE 18 HD2 PHE 18 42.534 5.698 -8.893
135 HE1 PHE 18 HE1 PHE 18 45.743 5.999 -5.174
136 HE2 PHE 18 HE2 PHE 18 44.490 7.179 -9.073
137 HZ PHE 18 HZ PHE 18 46.097 7.330 -7.214
138 H CYS 19 HN CYS 19 40.479 2.121 -4.753
139 HA CYS 19 HA CYS 19 41.587 2.820 -2.129
140 HB2 CYS 19 HB2 CYS 19 40.553 0.714 -1.357
141 HB3 CYS 19 HB1 CYS 19 39.373 1.794 -2.101
142 H PHE 20 HN PHE 20 43.432 1.955 -1.357
143 HA PHE 20 HA PHE 20 44.747 -0.117 -2.967
144 HB2 PHE 20 HB2 PHE 20 46.901 0.974 -2.659
145 HB3 PHE 20 HB1 PHE 20 45.762 2.121 -3.364
146 HD1 PHE 20 HD1 PHE 20 47.941 1.385 -0.597
147 HD2 PHE 20 HD2 PHE 20 44.774 3.909 -1.906
148 HE1 PHE 20 HE1 PHE 20 48.455 2.964 1.217
149 HE2 PHE 20 HE2 PHE 20 45.284 5.492 -0.093
150 HZ PHE 20 HZ PHE 20 47.123 5.013 1.473
151 HA PRO 21 HA PRO 21 45.405 -2.210 0.942
152 HB2 PRO 21 HB2 PRO 21 47.951 -3.372 0.205
153 HB3 PRO 21 HB1 PRO 21 46.353 -4.148 0.228
154 HG2 PRO 21 HG2 PRO 21 47.749 -3.671 -2.052
155 HG3 PRO 21 HG1 PRO 21 45.978 -3.750 -1.980
156 HD2 PRO 21 HD2 PRO 21 47.756 -1.338 -2.030
157 HD3 PRO 21 HD1 PRO 21 46.239 -1.644 -2.907
158 H ASP 22 HN ASP 22 46.145 -1.745 2.870
159 HA ASP 22 HA ASP 22 48.820 -0.950 3.475
160 HB2 ASP 22 HB2 ASP 22 47.767 1.182 2.529
161 HB3 ASP 22 HB1 ASP 22 46.718 1.177 3.944
162 H ASP 23 HN ASP 23 45.447 -0.702 4.614
163 HA ASP 23 HA ASP 23 46.250 -1.501 7.305
164 HB2 ASP 23 HB2 ASP 23 44.661 0.457 6.763
165 HB3 ASP 23 HB1 ASP 23 43.458 -0.779 6.417
166 H ASP 24 HN ASP 24 45.027 -2.872 4.437
167 HA ASP 24 HA ASP 24 44.231 -5.304 5.892
168 HB2 ASP 24 HB2 ASP 24 42.344 -3.891 4.756
169 HB3 ASP 24 HB1 ASP 24 42.968 -4.584 3.263
170 H TYR 25 HN TYR 25 45.910 -6.635 5.573
171 HA TYR 25 HA TYR 25 47.206 -6.767 2.953
172 HB2 TYR 25 HB2 TYR 25 47.993 -7.863 5.656
173 HB3 TYR 25 HB1 TYR 25 48.874 -8.223 4.176
174 HD1 TYR 25 HD1 TYR 25 50.207 -6.506 3.072
175 HD2 TYR 25 HD2 TYR 25 48.107 -5.665 6.676
176 HE1 TYR 25 HE1 TYR 25 51.531 -4.454 3.359
177 HE2 TYR 25 HE2 TYR 25 49.425 -3.611 6.971
178 HH TYR 25 HH TYR 25 51.589 -2.693 6.258