Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655132 | 7l55 RC | 30830 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 -5.309 -4.718 2.944
2 HA2 GLY 1 HA2 GLY 1 -4.953 -3.639 0.313
3 HA3 GLY 1 HA1 GLY 1 -6.023 -5.042 0.402
4 H PHE 2 HN PHE 2 -6.736 -2.250 -0.225
5 HA PHE 2 HA PHE 2 -8.883 -2.038 1.652
6 HB2 PHE 2 HB2 PHE 2 -8.410 0.286 2.324
7 HB3 PHE 2 HB1 PHE 2 -7.204 -0.840 2.928
8 HD1 PHE 2 HD1 PHE 2 -4.937 -0.878 1.848
9 HD2 PHE 2 HD2 PHE 2 -7.832 2.097 0.915
10 HE1 PHE 2 HE1 PHE 2 -3.172 0.558 0.921
11 HE2 PHE 2 HE2 PHE 2 -6.068 3.520 -0.007
12 HZ PHE 2 HZ PHE 2 -3.737 2.755 -0.006
13 H CYS 3 HN CYS 3 -10.581 -0.871 0.889
14 HA CYS 3 HA CYS 3 -10.243 0.486 -1.669
15 HB2 CYS 3 HB2 CYS 3 -11.128 -1.762 -2.171
16 HB3 CYS 3 HB1 CYS 3 -12.432 -1.506 -1.015
17 H TRP 4 HN TRP 4 -11.123 2.436 -1.608
18 HA TRP 4 HA TRP 4 -12.540 3.215 0.759
19 HB2 TRP 4 HB2 TRP 4 -11.895 4.745 -1.755
20 HB3 TRP 4 HB1 TRP 4 -12.721 5.448 -0.370
21 HD1 TRP 4 HD1 TRP 4 -11.192 5.440 1.971
22 HE1 TRP 4 HE1 TRP 4 -8.683 5.920 2.221
23 HE3 TRP 4 3HE TRP 4 -9.730 4.543 -2.826
24 HZ2 TRP 4 HZ2 TRP 4 -6.384 5.935 0.594
25 HZ3 TRP 4 HZ3 TRP 4 -7.360 4.816 -3.406
26 HH2 TRP 4 2HH TRP 4 -5.718 5.500 -1.728
27 H HIS 5 HN HIS 5 -13.475 3.884 -2.580
28 HA HIS 5 HA HIS 5 -16.114 2.812 -1.938
29 HB2 HIS 5 HB2 HIS 5 -15.489 5.335 -3.499
30 HB3 HIS 5 HB1 HIS 5 -17.073 4.584 -3.469
31 HD1 HIS 5 HD1 HIS 5 -18.505 4.962 -1.368
32 HD2 HIS 5 HD2 HIS 5 -14.725 6.658 -1.148
33 HE1 HIS 5 HE1 HIS 5 -18.546 6.513 0.630
34 H HIS 6 HN HIS 6 -14.575 4.094 -4.853
35 HA HIS 6 HA HIS 6 -15.215 1.561 -6.198
36 HB2 HIS 6 HB2 HIS 6 -16.103 3.572 -7.282
37 HB3 HIS 6 HB1 HIS 6 -14.484 4.264 -7.354
38 HD1 HIS 6 HD1 HIS 6 -13.134 3.723 -9.461
39 HD2 HIS 6 HD2 HIS 6 -16.461 1.285 -8.979
40 HE1 HIS 6 HE1 HIS 6 -13.331 2.392 -11.577
41 H SER 7 HN SER 7 -12.618 3.793 -5.418
42 HA SER 7 HA SER 7 -10.681 2.336 -6.873
43 HB2 SER 7 HB2 SER 7 -10.395 4.421 -4.744
44 HB3 SER 7 HB1 SER 7 -9.105 3.893 -5.825
45 HG SER 7 HG SER 7 -10.861 4.457 -7.490
46 H CYS 8 HN CYS 8 -10.351 0.431 -6.286
47 HA CYS 8 HA CYS 8 -10.046 -0.321 -3.475
48 HB2 CYS 8 HB2 CYS 8 -10.623 -2.073 -5.870
49 HB3 CYS 8 HB1 CYS 8 -10.499 -2.619 -4.208
50 H VAL 9 HN VAL 9 -8.013 -0.545 -2.861
51 HA VAL 9 HA VAL 9 -5.930 -0.968 -4.825
52 HB VAL 9 HB VAL 9 -5.702 -0.616 -1.821
53 HG11 VAL 9 HG11 VAL 9 -3.400 0.066 -2.299
54 HG12 VAL 9 HG12 VAL 9 -3.667 -0.267 -4.011
55 HG13 VAL 9 3HG1 VAL 9 -3.732 -1.582 -2.839
56 HG21 VAL 9 HG21 VAL 9 -5.174 1.747 -2.257
57 HG22 VAL 9 HG22 VAL 9 -6.818 1.334 -2.723
58 HG23 VAL 9 HG23 VAL 9 -5.570 1.515 -3.961
59 HA PRO 10 HA PRO 10 -6.510 -5.384 -4.037
60 HB2 PRO 10 HB2 PRO 10 -3.918 -5.525 -5.471
61 HB3 PRO 10 HB1 PRO 10 -5.433 -6.365 -5.811
62 HG2 PRO 10 HG2 PRO 10 -4.600 -4.343 -7.338
63 HG3 PRO 10 HG1 PRO 10 -6.317 -4.579 -6.973
64 HD2 PRO 10 HD2 PRO 10 -4.396 -2.594 -5.838
65 HD3 PRO 10 HD1 PRO 10 -6.123 -2.424 -6.224
66 H SER 11 HN SER 11 -5.475 -6.982 -2.854
67 HA SER 11 HA SER 11 -3.954 -6.083 -0.716
68 HB2 SER 11 HB2 SER 11 -3.687 -8.615 -0.264
69 HB3 SER 11 HB1 SER 11 -5.309 -7.930 -0.234
70 HG SER 11 HG SER 11 -5.746 -8.835 -2.186
71 H GLY 12 HN GLY 12 -1.969 -5.873 -0.365
72 HA2 GLY 12 HA2 GLY 12 0.358 -6.553 -0.652
73 HA3 GLY 12 HA1 GLY 12 -0.004 -6.761 -2.378
74 H THR 13 HN THR 13 -0.300 -4.370 0.210
75 HA THR 13 HA THR 13 -0.459 -2.288 -1.712
76 HB THR 13 HB THR 13 -0.657 -0.919 0.442
77 HG1 THR 13 HG1 THR 13 -1.013 -2.059 2.282
78 HG21 THR 13 HG21 THR 13 -2.999 -1.630 0.749
79 HG22 THR 13 HG22 THR 13 -2.662 -3.090 -0.180
80 HG23 THR 13 HG23 THR 13 -2.568 -1.510 -0.956
81 H CYS 14 HN CYS 14 1.223 -1.337 -2.477
82 HA CYS 14 HA CYS 14 3.697 -1.438 -0.988
83 HB2 CYS 14 HB2 CYS 14 3.117 -0.619 -3.830
84 HB3 CYS 14 HB1 CYS 14 4.705 -0.583 -3.051
85 H ALA 15 HN ALA 15 3.887 0.088 0.419
86 HA ALA 15 HA ALA 15 3.179 2.796 -0.367
87 HB1 ALA 15 HB1 ALA 15 3.272 3.284 2.057
88 HB2 ALA 15 HB2 ALA 15 3.671 1.595 2.368
89 HB3 ALA 15 HB3 ALA 15 2.097 2.021 1.696
90 H ASP 16 HN ASP 16 4.796 4.104 -0.748
91 HA ASP 16 HA ASP 16 7.513 3.104 -0.465
92 HB2 ASP 16 HB2 ASP 16 6.925 3.852 -2.668
93 HB3 ASP 16 HB1 ASP 16 6.343 5.389 -2.042
94 H PHE 17 HN PHE 17 8.706 3.658 1.067
95 HA PHE 17 HA PHE 17 8.340 6.212 2.479
96 HB2 PHE 17 HB2 PHE 17 9.258 3.521 3.523
97 HB3 PHE 17 HB1 PHE 17 9.260 5.003 4.462
98 HD1 PHE 17 HD1 PHE 17 7.020 6.153 4.818
99 HD2 PHE 17 HD2 PHE 17 7.408 2.141 3.483
100 HE1 PHE 17 HE1 PHE 17 4.743 5.702 5.559
101 HE2 PHE 17 HE2 PHE 17 5.127 1.658 4.220
102 HZ PHE 17 HZ PHE 17 3.770 3.443 5.266
103 HA PRO 18 HA PRO 18 12.728 7.021 1.678
104 HB2 PRO 18 HB2 PRO 18 13.098 7.124 4.641
105 HB3 PRO 18 HB1 PRO 18 13.583 8.306 3.419
106 HG2 PRO 18 HG2 PRO 18 11.499 8.794 4.959
107 HG3 PRO 18 HG1 PRO 18 11.430 9.174 3.228
108 HD2 PRO 18 HD2 PRO 18 10.234 6.866 4.710
109 HD3 PRO 18 HD1 PRO 18 9.534 7.827 3.398
110 H TRP 19 HN TRP 19 14.862 6.010 2.066
111 HA TRP 19 HA TRP 19 14.442 3.233 2.508
112 HB2 TRP 19 HB2 TRP 19 16.577 4.795 1.170
113 HB3 TRP 19 HB1 TRP 19 17.003 3.188 1.780
114 HD1 TRP 19 HD1 TRP 19 14.321 4.825 -0.483
115 HE1 TRP 19 HE1 TRP 19 13.471 3.032 -2.114
116 HE3 TRP 19 3HE TRP 19 17.052 0.817 1.188
117 HZ2 TRP 19 HZ2 TRP 19 13.902 0.322 -2.603
118 HZ3 TRP 19 HZ3 TRP 19 16.765 -1.331 0.073
119 HH2 TRP 19 2HH TRP 19 15.228 -1.585 -1.796
120 HA PRO 20 HA PRO 20 15.898 1.506 2.536
121 HB2 PRO 20 HB2 PRO 20 16.512 -0.616 3.945
122 HB3 PRO 20 HB1 PRO 20 17.755 0.607 3.646
123 HG2 PRO 20 HG2 PRO 20 16.179 0.086 6.127
124 HG3 PRO 20 HG1 PRO 20 17.876 0.566 5.957
125 HD2 PRO 20 HD2 PRO 20 15.691 2.270 6.494
126 HD3 PRO 20 HD1 PRO 20 17.326 2.776 6.025
127 H LEU 21 HN LEU 21 13.556 2.440 4.281
128 HA LEU 21 HA LEU 21 12.008 0.037 4.420
129 HB2 LEU 21 HB2 LEU 21 11.357 2.928 4.333
130 HB3 LEU 21 HB1 LEU 21 10.078 1.716 4.467
131 HG LEU 21 HG LEU 21 12.275 2.267 6.478
132 HD11 LEU 21 HD11 LEU 21 10.464 3.080 7.902
133 HD12 LEU 21 HD12 LEU 21 9.311 2.812 6.594
134 HD13 LEU 21 HD13 LEU 21 10.582 4.021 6.417
135 HD21 LEU 21 HD21 LEU 21 11.036 0.703 7.924
136 HD22 LEU 21 HD22 LEU 21 11.669 -0.085 6.485
137 HD23 LEU 21 HD23 LEU 21 9.956 0.332 6.580
138 H GLY 22 HN GLY 22 11.884 2.873 2.295
139 HA2 GLY 22 HA2 GLY 22 11.416 3.100 0.078
140 HA3 GLY 22 HA1 GLY 22 11.972 1.442 -0.116
141 H HIS 23 HN HIS 23 10.378 1.069 -1.627
142 HA HIS 23 HA HIS 23 7.631 1.182 -0.867
143 HB2 HIS 23 HB2 HIS 23 7.160 -0.083 -2.967
144 HB3 HIS 23 HB1 HIS 23 8.152 1.331 -3.260
145 HD1 HIS 23 HD1 HIS 23 7.842 -1.831 -4.612
146 HD2 HIS 23 HD2 HIS 23 11.117 0.197 -3.061
147 HE1 HIS 23 HE1 HIS 23 9.869 -2.878 -5.652
148 H GLN 24 HN GLN 24 7.303 0.224 0.898
149 HA GLN 24 HA GLN 24 8.425 -2.099 1.862
150 HB2 GLN 24 HB2 GLN 24 5.920 -0.656 2.547
151 HB3 GLN 24 HB1 GLN 24 6.278 -2.180 3.337
152 HG2 GLN 24 HG2 GLN 24 8.141 0.178 3.284
153 HG3 GLN 24 HG1 GLN 24 7.025 -0.184 4.608
154 HE21 GLN 24 1HE2 GLN 24 9.987 -1.133 2.994
155 HE22 GLN 24 2HE2 GLN 24 10.475 -2.253 4.204
156 H CYS 25 HN CYS 25 5.223 -1.900 0.370
157 HA CYS 25 HA CYS 25 3.861 -3.457 -0.560
158 HB2 CYS 25 HB2 CYS 25 6.465 -4.878 -1.178
159 HB3 CYS 25 HB1 CYS 25 4.910 -5.233 -1.924
160 H PHE 26 HN PHE 26 2.738 -4.115 1.129
161 HA PHE 26 HA PHE 26 3.655 -6.573 2.422
162 HB2 PHE 26 HB2 PHE 26 2.777 -5.685 4.625
163 HB3 PHE 26 HB1 PHE 26 4.210 -4.876 4.015
164 HD1 PHE 26 HD1 PHE 26 4.056 -2.589 3.133
165 HD2 PHE 26 HD2 PHE 26 0.702 -4.543 4.861
166 HE1 PHE 26 HE1 PHE 26 2.921 -0.426 3.354
167 HE2 PHE 26 HE2 PHE 26 -0.445 -2.388 5.083
168 HZ PHE 26 HZ PHE 26 0.668 -0.320 4.324
169 HA PRO 27 HA PRO 27 -0.380 -8.106 1.717
170 HB2 PRO 27 HB2 PRO 27 -0.606 -9.517 4.222
171 HB3 PRO 27 HB1 PRO 27 -0.276 -10.170 2.615
172 HG2 PRO 27 HG2 PRO 27 1.568 -10.128 4.637
173 HG3 PRO 27 HG1 PRO 27 1.991 -10.112 2.920
174 HD2 PRO 27 HD2 PRO 27 1.877 -7.842 4.867
175 HD3 PRO 27 HD1 PRO 27 3.058 -8.159 3.578
176 H ASP 28 HN ASP 28 -1.551 -6.317 1.805
177 HA ASP 28 HA ASP 28 -3.588 -6.155 3.808
178 HB2 ASP 28 HB2 ASP 28 -1.755 -4.731 4.779
179 HB3 ASP 28 HB1 ASP 28 -1.761 -3.777 3.306
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 -4.380 -4.976 1.529
2 HA2 GLY 1 HA2 GLY 1 -3.688 -3.264 -0.583
3 HA3 GLY 1 HA1 GLY 1 -5.174 -4.123 -0.968
4 H PHE 2 HN PHE 2 -6.262 -2.140 -0.927
5 HA PHE 2 HA PHE 2 -7.429 -1.570 1.550
6 HB2 PHE 2 HB2 PHE 2 -6.868 0.848 1.641
7 HB3 PHE 2 HB1 PHE 2 -5.451 -0.157 1.882
8 HD1 PHE 2 HD1 PHE 2 -7.057 2.337 -0.212
9 HD2 PHE 2 HD2 PHE 2 -3.723 -0.292 0.109
10 HE1 PHE 2 HE1 PHE 2 -5.886 3.611 -1.950
11 HE2 PHE 2 HE2 PHE 2 -2.552 0.979 -1.636
12 HZ PHE 2 HZ PHE 2 -3.634 2.936 -2.665
13 H CYS 3 HN CYS 3 -9.223 -0.086 1.237
14 HA CYS 3 HA CYS 3 -9.937 0.326 -1.558
15 HB2 CYS 3 HB2 CYS 3 -10.981 -1.800 -0.837
16 HB3 CYS 3 HB1 CYS 3 -11.700 -0.983 0.543
17 H TRP 4 HN TRP 4 -11.348 2.102 -1.851
18 HA TRP 4 HA TRP 4 -11.420 3.903 0.431
19 HB2 TRP 4 HB2 TRP 4 -12.060 4.324 -2.491
20 HB3 TRP 4 HB1 TRP 4 -12.322 5.557 -1.264
21 HD1 TRP 4 HD1 TRP 4 -10.089 6.575 -0.103
22 HE1 TRP 4 HE1 TRP 4 -7.718 6.853 -1.040
23 HE3 TRP 4 3HE TRP 4 -10.355 3.270 -3.984
24 HZ2 TRP 4 HZ2 TRP 4 -6.157 5.816 -3.144
25 HZ3 TRP 4 HZ3 TRP 4 -8.381 2.974 -5.413
26 HH2 TRP 4 2HH TRP 4 -6.326 4.221 -5.001
27 H HIS 5 HN HIS 5 -13.828 3.529 -2.111
28 HA HIS 5 HA HIS 5 -15.742 2.780 -0.038
29 HB2 HIS 5 HB2 HIS 5 -16.288 4.660 -2.370
30 HB3 HIS 5 HB1 HIS 5 -17.496 4.071 -1.236
31 HD1 HIS 5 HD1 HIS 5 -17.460 5.089 1.148
32 HD2 HIS 5 HD2 HIS 5 -14.619 6.663 -1.421
33 HE1 HIS 5 HE1 HIS 5 -16.538 7.128 2.301
34 H HIS 6 HN HIS 6 -15.990 3.134 -3.543
35 HA HIS 6 HA HIS 6 -16.672 0.294 -3.606
36 HB2 HIS 6 HB2 HIS 6 -17.292 2.453 -5.637
37 HB3 HIS 6 HB1 HIS 6 -17.652 0.746 -5.863
38 HD1 HIS 6 HD1 HIS 6 -19.606 -0.266 -4.313
39 HD2 HIS 6 HD2 HIS 6 -19.035 3.852 -4.041
40 HE1 HIS 6 HE1 HIS 6 -21.644 0.648 -3.196
41 H SER 7 HN SER 7 -14.307 2.570 -4.566
42 HA SER 7 HA SER 7 -13.102 0.774 -6.458
43 HB2 SER 7 HB2 SER 7 -12.102 3.359 -5.287
44 HB3 SER 7 HB1 SER 7 -11.412 2.519 -6.672
45 HG SER 7 HG SER 7 -12.753 3.543 -7.839
46 H CYS 8 HN CYS 8 -12.082 -0.877 -5.680
47 HA CYS 8 HA CYS 8 -10.577 -0.606 -3.189
48 HB2 CYS 8 HB2 CYS 8 -11.804 -3.114 -4.363
49 HB3 CYS 8 HB1 CYS 8 -10.926 -3.010 -2.845
50 H VAL 9 HN VAL 9 -8.450 -1.186 -3.241
51 HA VAL 9 HA VAL 9 -7.340 -1.479 -5.895
52 HB VAL 9 HB VAL 9 -5.901 -1.102 -3.245
53 HG11 VAL 9 HG11 VAL 9 -4.468 -1.935 -5.028
54 HG12 VAL 9 HG12 VAL 9 -4.050 -0.280 -4.589
55 HG13 VAL 9 3HG1 VAL 9 -4.963 -0.594 -6.066
56 HG21 VAL 9 HG21 VAL 9 -7.428 0.745 -3.608
57 HG22 VAL 9 HG22 VAL 9 -6.776 0.991 -5.228
58 HG23 VAL 9 HG23 VAL 9 -5.760 1.273 -3.814
59 HA PRO 10 HA PRO 10 -6.874 -5.906 -5.487
60 HB2 PRO 10 HB2 PRO 10 -4.687 -6.156 -7.143
61 HB3 PRO 10 HB1 PRO 10 -6.363 -6.113 -7.704
62 HG2 PRO 10 HG2 PRO 10 -4.320 -3.938 -7.635
63 HG3 PRO 10 HG1 PRO 10 -5.557 -4.277 -8.857
64 HD2 PRO 10 HD2 PRO 10 -5.836 -2.301 -7.087
65 HD3 PRO 10 HD1 PRO 10 -7.231 -3.252 -7.627
66 H SER 11 HN SER 11 -5.435 -7.453 -4.693
67 HA SER 11 HA SER 11 -3.794 -6.594 -2.609
68 HB2 SER 11 HB2 SER 11 -4.944 -8.812 -2.764
69 HB3 SER 11 HB1 SER 11 -3.737 -9.297 -3.955
70 HG SER 11 HG SER 11 -3.615 -9.236 -1.282
71 H GLY 12 HN GLY 12 -1.731 -6.254 -2.476
72 HA2 GLY 12 HA2 GLY 12 0.548 -6.598 -3.274
73 HA3 GLY 12 HA1 GLY 12 -0.106 -6.511 -4.913
74 H THR 13 HN THR 13 -0.301 -4.635 -1.947
75 HA THR 13 HA THR 13 -0.034 -2.220 -3.557
76 HB THR 13 HB THR 13 -1.108 -1.156 -1.493
77 HG1 THR 13 HG1 THR 13 -1.989 -3.827 -1.009
78 HG21 THR 13 HG21 THR 13 -2.739 -3.131 -3.085
79 HG22 THR 13 HG22 THR 13 -2.319 -1.496 -3.596
80 HG23 THR 13 HG23 THR 13 -3.372 -1.741 -2.204
81 H CYS 14 HN CYS 14 1.739 -0.969 -3.116
82 HA CYS 14 HA CYS 14 2.922 -1.541 -0.589
83 HB2 CYS 14 HB2 CYS 14 4.138 -2.805 -2.348
84 HB3 CYS 14 HB1 CYS 14 4.576 -1.276 -3.106
85 H ALA 15 HN ALA 15 4.535 0.143 0.035
86 HA ALA 15 HA ALA 15 3.764 2.784 -0.910
87 HB1 ALA 15 HB1 ALA 15 4.072 3.516 1.445
88 HB2 ALA 15 HB2 ALA 15 4.265 1.823 1.912
89 HB3 ALA 15 HB3 ALA 15 2.727 2.388 1.261
90 H ASP 16 HN ASP 16 5.502 4.018 -1.317
91 HA ASP 16 HA ASP 16 8.059 2.628 -1.272
92 HB2 ASP 16 HB2 ASP 16 7.168 5.112 -2.750
93 HB3 ASP 16 HB1 ASP 16 8.785 4.428 -2.831
94 H PHE 17 HN PHE 17 9.222 2.996 0.451
95 HA PHE 17 HA PHE 17 9.257 5.706 1.527
96 HB2 PHE 17 HB2 PHE 17 9.605 3.023 2.837
97 HB3 PHE 17 HB1 PHE 17 10.207 4.492 3.589
98 HD1 PHE 17 HD1 PHE 17 7.198 2.674 2.536
99 HD2 PHE 17 HD2 PHE 17 8.752 6.064 4.559
100 HE1 PHE 17 HE1 PHE 17 4.980 3.121 3.500
101 HE2 PHE 17 HE2 PHE 17 6.557 6.516 5.516
102 HZ PHE 17 HZ PHE 17 4.658 5.046 4.985
103 HA PRO 18 HA PRO 18 13.538 5.852 0.465
104 HB2 PRO 18 HB2 PRO 18 14.528 7.397 2.470
105 HB3 PRO 18 HB1 PRO 18 13.558 8.067 1.156
106 HG2 PRO 18 HG2 PRO 18 12.718 7.328 3.932
107 HG3 PRO 18 HG1 PRO 18 12.290 8.760 2.981
108 HD2 PRO 18 HD2 PRO 18 10.639 6.643 3.247
109 HD3 PRO 18 HD1 PRO 18 10.680 7.625 1.772
110 H TRP 19 HN TRP 19 15.677 5.319 1.436
111 HA TRP 19 HA TRP 19 15.375 2.927 2.901
112 HB2 TRP 19 HB2 TRP 19 17.603 4.213 1.468
113 HB3 TRP 19 HB1 TRP 19 18.039 3.078 2.753
114 HD1 TRP 19 HD1 TRP 19 15.606 3.111 -0.279
115 HE1 TRP 19 HE1 TRP 19 15.546 0.743 -1.249
116 HE3 TRP 19 3HE TRP 19 18.782 0.833 3.011
117 HZ2 TRP 19 HZ2 TRP 19 16.703 -1.762 -0.683
118 HZ3 TRP 19 HZ3 TRP 19 19.259 -1.560 2.724
119 HH2 TRP 19 2HH TRP 19 18.244 -2.835 0.910
120 HA PRO 20 HA PRO 20 16.737 1.543 3.820
121 HB2 PRO 20 HB2 PRO 20 17.117 0.123 5.991
122 HB3 PRO 20 HB1 PRO 20 18.382 1.246 5.466
123 HG2 PRO 20 HG2 PRO 20 16.390 1.536 7.676
124 HG3 PRO 20 HG1 PRO 20 18.085 2.040 7.625
125 HD2 PRO 20 HD2 PRO 20 15.841 3.678 7.137
126 HD3 PRO 20 HD1 PRO 20 17.527 4.085 6.768
127 H LEU 21 HN LEU 21 14.176 2.926 4.917
128 HA LEU 21 HA LEU 21 12.520 0.825 5.876
129 HB2 LEU 21 HB2 LEU 21 12.027 3.358 4.443
130 HB3 LEU 21 HB1 LEU 21 10.689 2.371 5.036
131 HG LEU 21 HG LEU 21 12.807 3.737 6.721
132 HD11 LEU 21 HD11 LEU 21 9.899 4.390 6.254
133 HD12 LEU 21 HD12 LEU 21 11.280 5.316 5.664
134 HD13 LEU 21 HD13 LEU 21 10.967 5.204 7.394
135 HD21 LEU 21 HD21 LEU 21 11.957 1.681 7.753
136 HD22 LEU 21 HD22 LEU 21 10.305 2.243 7.511
137 HD23 LEU 21 HD23 LEU 21 11.376 3.109 8.608
138 H GLY 22 HN GLY 22 12.798 2.416 2.718
139 HA2 GLY 22 HA2 GLY 22 12.491 1.680 0.582
140 HA3 GLY 22 HA1 GLY 22 12.910 0.082 1.179
141 H HIS 23 HN HIS 23 11.441 -1.358 0.783
142 HA HIS 23 HA HIS 23 8.742 -0.538 0.194
143 HB2 HIS 23 HB2 HIS 23 10.067 -3.244 0.017
144 HB3 HIS 23 HB1 HIS 23 8.378 -2.953 -0.365
145 HD1 HIS 23 HD1 HIS 23 11.154 -3.663 -2.180
146 HD2 HIS 23 HD2 HIS 23 8.566 -0.421 -2.277
147 HE1 HIS 23 HE1 HIS 23 11.345 -2.682 -4.498
148 H GLN 24 HN GLN 24 8.084 0.108 2.201
149 HA GLN 24 HA GLN 24 7.901 -1.800 4.350
150 HB2 GLN 24 HB2 GLN 24 6.484 0.835 3.926
151 HB3 GLN 24 HB1 GLN 24 6.247 -0.168 5.350
152 HG2 GLN 24 HG2 GLN 24 8.873 1.019 4.476
153 HG3 GLN 24 HG1 GLN 24 7.834 1.657 5.750
154 HE21 GLN 24 1HE2 GLN 24 10.086 -0.848 4.862
155 HE22 GLN 24 2HE2 GLN 24 10.256 -1.520 6.423
156 H CYS 25 HN CYS 25 5.813 -0.622 1.888
157 HA CYS 25 HA CYS 25 4.033 -1.371 0.839
158 HB2 CYS 25 HB2 CYS 25 4.833 -4.065 1.930
159 HB3 CYS 25 HB1 CYS 25 3.647 -3.821 0.652
160 H PHE 26 HN PHE 26 1.807 -2.572 1.004
161 HA PHE 26 HA PHE 26 0.724 -1.912 3.620
162 HB2 PHE 26 HB2 PHE 26 -0.534 -1.921 0.876
163 HB3 PHE 26 HB1 PHE 26 -1.481 -1.841 2.350
164 HD1 PHE 26 HD1 PHE 26 0.579 -0.034 0.006
165 HD2 PHE 26 HD2 PHE 26 -1.309 0.107 3.802
166 HE1 PHE 26 HE1 PHE 26 0.784 2.413 0.001
167 HE2 PHE 26 HE2 PHE 26 -1.109 2.572 3.818
168 HZ PHE 26 HZ PHE 26 -0.061 3.724 1.910
169 HA PRO 27 HA PRO 27 -0.443 -6.203 4.036
170 HB2 PRO 27 HB2 PRO 27 -2.821 -5.272 5.484
171 HB3 PRO 27 HB1 PRO 27 -1.474 -6.261 6.083
172 HG2 PRO 27 HG2 PRO 27 -1.799 -3.728 6.875
173 HG3 PRO 27 HG1 PRO 27 -0.179 -4.387 6.567
174 HD2 PRO 27 HD2 PRO 27 -1.893 -2.674 4.803
175 HD3 PRO 27 HD1 PRO 27 -0.165 -2.519 5.201
176 H ASP 28 HN ASP 28 -1.035 -6.762 2.053
177 HA ASP 28 HA ASP 28 -2.286 -7.599 0.400
178 HB2 ASP 28 HB2 ASP 28 -3.815 -8.459 2.171
179 HB3 ASP 28 HB1 ASP 28 -4.722 -6.955 2.090
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -5.247 -4.685 1.646
2 HA2 GLY 1 HA2 GLY 1 -4.536 -3.757 -0.909
3 HA3 GLY 1 HA1 GLY 1 -5.543 -5.201 -1.033
4 H PHE 2 HN PHE 2 -5.337 -2.126 0.595
5 HA PHE 2 HA PHE 2 -7.948 -2.116 1.466
6 HB2 PHE 2 HB2 PHE 2 -7.528 0.474 1.636
7 HB3 PHE 2 HB1 PHE 2 -6.742 -0.661 2.718
8 HD1 PHE 2 HD1 PHE 2 -4.435 -0.724 2.880
9 HD2 PHE 2 HD2 PHE 2 -6.234 1.254 -0.410
10 HE1 PHE 2 HE1 PHE 2 -2.239 0.165 2.234
11 HE2 PHE 2 HE2 PHE 2 -4.037 2.156 -1.064
12 HZ PHE 2 HZ PHE 2 -2.042 1.605 0.256
13 H CYS 3 HN CYS 3 -9.774 -1.386 0.848
14 HA CYS 3 HA CYS 3 -10.201 -0.041 -1.679
15 HB2 CYS 3 HB2 CYS 3 -10.121 -2.333 -2.408
16 HB3 CYS 3 HB1 CYS 3 -11.065 -2.861 -1.034
17 H TRP 4 HN TRP 4 -11.502 1.543 -1.003
18 HA TRP 4 HA TRP 4 -13.367 0.894 1.162
19 HB2 TRP 4 HB2 TRP 4 -12.547 3.702 0.309
20 HB3 TRP 4 HB1 TRP 4 -13.386 3.224 1.780
21 HD1 TRP 4 HD1 TRP 4 -11.844 2.077 3.699
22 HE1 TRP 4 HE1 TRP 4 -9.300 2.247 4.126
23 HE3 TRP 4 3HE TRP 4 -10.359 3.909 -0.834
24 HZ2 TRP 4 HZ2 TRP 4 -6.998 3.057 2.736
25 HZ3 TRP 4 HZ3 TRP 4 -7.975 4.363 -1.203
26 HH2 TRP 4 2HH TRP 4 -6.330 3.945 0.544
27 H HIS 5 HN HIS 5 -13.658 3.614 -1.082
28 HA HIS 5 HA HIS 5 -15.934 2.281 -2.243
29 HB2 HIS 5 HB2 HIS 5 -17.090 4.545 -2.339
30 HB3 HIS 5 HB1 HIS 5 -16.981 3.815 -0.746
31 HD1 HIS 5 HD1 HIS 5 -15.991 6.847 -2.677
32 HD2 HIS 5 HD2 HIS 5 -15.181 5.120 1.009
33 HE1 HIS 5 HE1 HIS 5 -14.951 8.644 -1.283
34 H HIS 6 HN HIS 6 -15.259 1.788 -4.132
35 HA HIS 6 HA HIS 6 -14.725 1.946 -6.288
36 HB2 HIS 6 HB2 HIS 6 -14.681 4.937 -5.855
37 HB3 HIS 6 HB1 HIS 6 -14.387 4.182 -7.415
38 HD1 HIS 6 HD1 HIS 6 -16.434 4.302 -8.830
39 HD2 HIS 6 HD2 HIS 6 -17.344 3.874 -4.804
40 HE1 HIS 6 HE1 HIS 6 -18.936 4.304 -8.685
41 H SER 7 HN SER 7 -12.702 3.983 -4.267
42 HA SER 7 HA SER 7 -10.385 3.422 -5.841
43 HB2 SER 7 HB2 SER 7 -10.560 4.513 -3.048
44 HB3 SER 7 HB1 SER 7 -9.191 4.649 -4.146
45 HG SER 7 HG SER 7 -11.318 5.551 -5.444
46 H CYS 8 HN CYS 8 -9.565 1.474 -5.840
47 HA CYS 8 HA CYS 8 -9.315 -0.034 -3.368
48 HB2 CYS 8 HB2 CYS 8 -10.429 -1.135 -5.946
49 HB3 CYS 8 HB1 CYS 8 -10.135 -2.051 -4.472
50 H VAL 9 HN VAL 9 -7.410 -0.852 -3.144
51 HA VAL 9 HA VAL 9 -5.620 -0.952 -5.454
52 HB VAL 9 HB VAL 9 -4.985 -0.809 -2.481
53 HG11 VAL 9 HG11 VAL 9 -2.694 -0.323 -3.165
54 HG12 VAL 9 HG12 VAL 9 -3.137 -0.587 -4.852
55 HG13 VAL 9 3HG1 VAL 9 -3.208 -1.924 -3.698
56 HG21 VAL 9 HG21 VAL 9 -4.885 1.330 -4.596
57 HG22 VAL 9 HG22 VAL 9 -4.233 1.494 -2.973
58 HG23 VAL 9 HG23 VAL 9 -5.970 1.257 -3.205
59 HA PRO 10 HA PRO 10 -5.858 -5.422 -5.058
60 HB2 PRO 10 HB2 PRO 10 -3.492 -6.005 -6.303
61 HB3 PRO 10 HB1 PRO 10 -5.005 -5.685 -7.168
62 HG2 PRO 10 HG2 PRO 10 -2.679 -3.884 -6.651
63 HG3 PRO 10 HG1 PRO 10 -3.695 -4.010 -8.093
64 HD2 PRO 10 HD2 PRO 10 -3.981 -2.015 -6.311
65 HD3 PRO 10 HD1 PRO 10 -5.368 -2.694 -7.185
66 H SER 11 HN SER 11 -4.656 -7.191 -4.171
67 HA SER 11 HA SER 11 -3.479 -6.654 -1.701
68 HB2 SER 11 HB2 SER 11 -3.382 -9.181 -3.344
69 HB3 SER 11 HB1 SER 11 -3.135 -9.060 -1.600
70 HG SER 11 HG SER 11 -5.326 -7.968 -1.736
71 H GLY 12 HN GLY 12 -1.519 -6.279 -1.137
72 HA2 GLY 12 HA2 GLY 12 0.892 -6.812 -1.246
73 HA3 GLY 12 HA1 GLY 12 0.740 -6.746 -3.002
74 H THR 13 HN THR 13 -0.460 -4.629 -0.444
75 HA THR 13 HA THR 13 -0.081 -2.330 -1.932
76 HB THR 13 HB THR 13 -0.586 -1.288 0.382
77 HG1 THR 13 HG1 THR 13 0.027 -3.448 1.381
78 HG21 THR 13 HG21 THR 13 -2.952 -1.913 0.125
79 HG22 THR 13 HG22 THR 13 -2.476 -3.214 -0.968
80 HG23 THR 13 HG23 THR 13 -2.211 -1.534 -1.430
81 H CYS 14 HN CYS 14 1.679 -1.313 -2.366
82 HA CYS 14 HA CYS 14 3.703 -0.826 -0.314
83 HB2 CYS 14 HB2 CYS 14 4.159 -1.774 -3.139
84 HB3 CYS 14 HB1 CYS 14 5.384 -0.943 -2.187
85 H ALA 15 HN ALA 15 4.719 1.246 -0.560
86 HA ALA 15 HA ALA 15 3.899 2.874 -2.835
87 HB1 ALA 15 HB1 ALA 15 3.339 4.772 -1.368
88 HB2 ALA 15 HB2 ALA 15 3.596 3.757 0.046
89 HB3 ALA 15 HB3 ALA 15 2.263 3.408 -1.058
90 H ASP 16 HN ASP 16 5.354 4.812 -3.002
91 HA ASP 16 HA ASP 16 7.995 3.891 -2.616
92 HB2 ASP 16 HB2 ASP 16 8.812 5.935 -3.673
93 HB3 ASP 16 HB1 ASP 16 7.445 5.307 -4.569
94 H PHE 17 HN PHE 17 8.450 3.548 -0.600
95 HA PHE 17 HA PHE 17 8.763 5.848 1.122
96 HB2 PHE 17 HB2 PHE 17 8.122 3.021 1.420
97 HB3 PHE 17 HB1 PHE 17 9.111 3.599 2.719
98 HD1 PHE 17 HD1 PHE 17 7.917 4.416 4.523
99 HD2 PHE 17 HD2 PHE 17 6.170 4.743 0.692
100 HE1 PHE 17 HE1 PHE 17 5.990 5.591 5.503
101 HE2 PHE 17 HE2 PHE 17 4.237 5.873 1.626
102 HZ PHE 17 HZ PHE 17 4.124 6.315 4.060
103 HA PRO 18 HA PRO 18 13.152 6.121 0.871
104 HB2 PRO 18 HB2 PRO 18 13.823 5.640 3.568
105 HB3 PRO 18 HB1 PRO 18 13.523 7.212 2.823
106 HG2 PRO 18 HG2 PRO 18 11.680 5.477 4.399
107 HG3 PRO 18 HG1 PRO 18 11.790 7.246 4.341
108 HD2 PRO 18 HD2 PRO 18 9.814 5.980 3.106
109 HD3 PRO 18 HD1 PRO 18 10.611 7.370 2.333
110 H TRP 19 HN TRP 19 15.029 4.899 0.754
111 HA TRP 19 HA TRP 19 14.630 2.332 0.059
112 HB2 TRP 19 HB2 TRP 19 17.080 3.924 0.463
113 HB3 TRP 19 HB1 TRP 19 17.266 2.175 0.327
114 HD1 TRP 19 HD1 TRP 19 16.250 5.231 -1.710
115 HE1 TRP 19 HE1 TRP 19 16.038 4.528 -4.170
116 HE3 TRP 19 3HE TRP 19 16.809 0.177 -1.171
117 HZ2 TRP 19 HZ2 TRP 19 16.086 2.146 -5.665
118 HZ3 TRP 19 HZ3 TRP 19 16.713 -1.240 -3.167
119 HH2 TRP 19 2HH TRP 19 16.365 -0.275 -5.376
120 HA PRO 20 HA PRO 20 14.996 0.518 -0.413
121 HB2 PRO 20 HB2 PRO 20 13.942 -1.879 -0.077
122 HB3 PRO 20 HB1 PRO 20 15.662 -1.624 0.264
123 HG2 PRO 20 HG2 PRO 20 13.355 -1.685 2.176
124 HG3 PRO 20 HG1 PRO 20 14.892 -2.575 2.297
125 HD2 PRO 20 HD2 PRO 20 14.428 -0.233 3.620
126 HD3 PRO 20 HD1 PRO 20 16.042 -0.687 3.034
127 H LEU 21 HN LEU 21 12.779 0.801 2.144
128 HA LEU 21 HA LEU 21 10.663 1.888 0.901
129 HB2 LEU 21 HB2 LEU 21 10.749 -0.844 0.108
130 HB3 LEU 21 HB1 LEU 21 9.801 -0.671 1.601
131 HG LEU 21 HG LEU 21 8.567 -0.749 -0.563
132 HD11 LEU 21 HD11 LEU 21 8.147 1.152 1.693
133 HD12 LEU 21 HD12 LEU 21 7.377 -0.402 1.385
134 HD13 LEU 21 HD13 LEU 21 6.952 1.004 0.403
135 HD21 LEU 21 HD21 LEU 21 9.808 0.912 -1.793
136 HD22 LEU 21 HD22 LEU 21 9.436 2.131 -0.569
137 HD23 LEU 21 HD23 LEU 21 8.148 1.471 -1.559
138 H GLY 22 HN GLY 22 11.046 2.799 2.850
139 HA2 GLY 22 HA2 GLY 22 11.075 1.771 5.396
140 HA3 GLY 22 HA1 GLY 22 10.419 3.347 5.016
141 H HIS 23 HN HIS 23 9.568 -0.052 5.174
142 HA HIS 23 HA HIS 23 7.907 -1.140 6.086
143 HB2 HIS 23 HB2 HIS 23 7.498 1.374 7.661
144 HB3 HIS 23 HB1 HIS 23 6.557 -0.082 7.941
145 HD1 HIS 23 HD1 HIS 23 7.612 -1.819 9.481
146 HD2 HIS 23 HD2 HIS 23 10.304 1.082 8.205
147 HE1 HIS 23 HE1 HIS 23 9.712 -2.175 10.817
148 H GLN 24 HN GLN 24 7.034 1.058 3.791
149 HA GLN 24 HA GLN 24 4.233 0.772 4.411
150 HB2 GLN 24 HB2 GLN 24 5.152 2.902 3.575
151 HB3 GLN 24 HB1 GLN 24 5.499 2.127 2.045
152 HG2 GLN 24 HG2 GLN 24 3.510 3.558 2.072
153 HG3 GLN 24 HG1 GLN 24 3.191 1.922 1.528
154 HE21 GLN 24 1HE2 GLN 24 3.555 2.977 4.918
155 HE22 GLN 24 2HE2 GLN 24 1.914 2.677 5.351
156 H CYS 25 HN CYS 25 6.336 -1.269 3.073
157 HA CYS 25 HA CYS 25 4.369 -2.380 1.253
158 HB2 CYS 25 HB2 CYS 25 7.209 -3.142 1.864
159 HB3 CYS 25 HB1 CYS 25 6.109 -4.324 1.155
160 H PHE 26 HN PHE 26 2.755 -3.433 2.148
161 HA PHE 26 HA PHE 26 3.398 -5.508 4.003
162 HB2 PHE 26 HB2 PHE 26 1.640 -4.867 5.652
163 HB3 PHE 26 HB1 PHE 26 2.925 -3.682 5.558
164 HD1 PHE 26 HD1 PHE 26 -0.595 -4.330 5.146
165 HD2 PHE 26 HD2 PHE 26 2.494 -1.492 4.461
166 HE1 PHE 26 HE1 PHE 26 -2.279 -2.585 4.853
167 HE2 PHE 26 HE2 PHE 26 0.811 0.271 4.160
168 HZ PHE 26 HZ PHE 26 -1.584 -0.268 4.357
169 HA PRO 27 HA PRO 27 0.379 -7.454 1.538
170 HB2 PRO 27 HB2 PRO 27 -0.373 -9.377 3.527
171 HB3 PRO 27 HB1 PRO 27 0.719 -9.595 2.158
172 HG2 PRO 27 HG2 PRO 27 1.523 -9.605 4.801
173 HG3 PRO 27 HG1 PRO 27 2.582 -9.234 3.434
174 HD2 PRO 27 HD2 PRO 27 1.205 -7.366 5.325
175 HD3 PRO 27 HD1 PRO 27 2.827 -7.262 4.603
176 H ASP 28 HN ASP 28 -1.261 -6.030 1.348
177 HA ASP 28 HA ASP 28 -3.740 -6.756 2.548
178 HB2 ASP 28 HB2 ASP 28 -2.651 -5.042 4.189
179 HB3 ASP 28 HB1 ASP 28 -2.894 -3.860 2.911
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 -4.443 -5.224 1.543
2 HA2 GLY 1 HA2 GLY 1 -3.118 -4.054 -0.680
3 HA3 GLY 1 HA1 GLY 1 -4.820 -4.396 -0.999
4 H PHE 2 HN PHE 2 -5.338 -2.152 -1.060
5 HA PHE 2 HA PHE 2 -5.972 -1.152 1.503
6 HB2 PHE 2 HB2 PHE 2 -4.787 1.048 1.278
7 HB3 PHE 2 HB1 PHE 2 -3.714 -0.311 1.537
8 HD1 PHE 2 HD1 PHE 2 -4.560 2.463 -0.585
9 HD2 PHE 2 HD2 PHE 2 -2.402 -1.200 -0.432
10 HE1 PHE 2 HE1 PHE 2 -3.203 3.179 -2.505
11 HE2 PHE 2 HE2 PHE 2 -1.049 -0.490 -2.352
12 HZ PHE 2 HZ PHE 2 -1.446 1.702 -3.391
13 H CYS 3 HN CYS 3 -7.568 0.371 1.471
14 HA CYS 3 HA CYS 3 -8.479 1.385 -1.076
15 HB2 CYS 3 HB2 CYS 3 -9.541 -0.825 -0.986
16 HB3 CYS 3 HB1 CYS 3 -10.168 -0.469 0.622
17 H TRP 4 HN TRP 4 -9.833 3.129 -0.828
18 HA TRP 4 HA TRP 4 -10.185 3.998 1.950
19 HB2 TRP 4 HB2 TRP 4 -9.910 5.810 -0.461
20 HB3 TRP 4 HB1 TRP 4 -9.972 6.311 1.230
21 HD1 TRP 4 HD1 TRP 4 -7.737 5.524 2.704
22 HE1 TRP 4 HE1 TRP 4 -5.286 5.372 1.927
23 HE3 TRP 4 3HE TRP 4 -8.487 5.365 -2.338
24 HZ2 TRP 4 HZ2 TRP 4 -3.864 5.214 -0.500
25 HZ3 TRP 4 HZ3 TRP 4 -6.532 5.212 -3.822
26 HH2 TRP 4 2HH TRP 4 -4.270 5.139 -2.917
27 H HIS 5 HN HIS 5 -11.619 5.516 -0.923
28 HA HIS 5 HA HIS 5 -14.218 4.463 -0.081
29 HB2 HIS 5 HB2 HIS 5 -13.646 7.242 -1.174
30 HB3 HIS 5 HB1 HIS 5 -15.225 6.615 -0.729
31 HD1 HIS 5 HD1 HIS 5 -15.764 6.520 1.856
32 HD2 HIS 5 HD2 HIS 5 -12.035 8.087 0.909
33 HE1 HIS 5 HE1 HIS 5 -14.928 7.644 3.943
34 H HIS 6 HN HIS 6 -14.492 2.960 -1.621
35 HA HIS 6 HA HIS 6 -14.984 2.013 -3.580
36 HB2 HIS 6 HB2 HIS 6 -14.974 4.831 -4.677
37 HB3 HIS 6 HB1 HIS 6 -15.320 3.425 -5.673
38 HD1 HIS 6 HD1 HIS 6 -17.762 2.814 -5.807
39 HD2 HIS 6 HD2 HIS 6 -16.868 5.088 -2.442
40 HE1 HIS 6 HE1 HIS 6 -19.956 3.300 -4.690
41 H SER 7 HN SER 7 -12.320 4.264 -3.771
42 HA SER 7 HA SER 7 -10.953 2.851 -5.834
43 HB2 SER 7 HB2 SER 7 -9.850 4.731 -3.784
44 HB3 SER 7 HB1 SER 7 -9.172 4.386 -5.375
45 HG SER 7 HG SER 7 -11.610 5.129 -5.839
46 H CYS 8 HN CYS 8 -10.515 0.810 -5.323
47 HA CYS 8 HA CYS 8 -9.111 0.216 -2.803
48 HB2 CYS 8 HB2 CYS 8 -10.946 -1.630 -4.343
49 HB3 CYS 8 HB1 CYS 8 -10.091 -2.034 -2.870
50 H VAL 9 HN VAL 9 -7.162 -0.684 -3.061
51 HA VAL 9 HA VAL 9 -6.399 -1.478 -5.740
52 HB VAL 9 HB VAL 9 -4.669 -1.005 -3.280
53 HG11 VAL 9 HG11 VAL 9 -3.557 -2.479 -4.855
54 HG12 VAL 9 HG12 VAL 9 -2.817 -0.873 -4.907
55 HG13 VAL 9 3HG1 VAL 9 -3.923 -1.369 -6.176
56 HG21 VAL 9 HG21 VAL 9 -5.204 0.803 -5.636
57 HG22 VAL 9 HG22 VAL 9 -4.046 1.113 -4.340
58 HG23 VAL 9 HG23 VAL 9 -5.770 1.045 -3.983
59 HA PRO 10 HA PRO 10 -7.233 -5.722 -4.761
60 HB2 PRO 10 HB2 PRO 10 -5.377 -6.814 -6.493
61 HB3 PRO 10 HB1 PRO 10 -7.029 -6.335 -6.913
62 HG2 PRO 10 HG2 PRO 10 -4.465 -4.848 -7.279
63 HG3 PRO 10 HG1 PRO 10 -5.865 -4.957 -8.361
64 HD2 PRO 10 HD2 PRO 10 -5.447 -2.798 -6.899
65 HD3 PRO 10 HD1 PRO 10 -7.097 -3.417 -7.124
66 H SER 11 HN SER 11 -6.220 -7.748 -4.189
67 HA SER 11 HA SER 11 -4.353 -7.413 -2.084
68 HB2 SER 11 HB2 SER 11 -6.247 -9.106 -2.180
69 HB3 SER 11 HB1 SER 11 -5.298 -9.993 -3.367
70 HG SER 11 HG SER 11 -5.095 -9.808 -0.676
71 H GLY 12 HN GLY 12 -2.231 -7.885 -2.082
72 HA2 GLY 12 HA2 GLY 12 -0.235 -8.893 -2.904
73 HA3 GLY 12 HA1 GLY 12 -1.020 -9.063 -4.472
74 H THR 13 HN THR 13 -0.565 -6.342 -2.274
75 HA THR 13 HA THR 13 0.725 -4.938 -4.480
76 HB THR 13 HB THR 13 -1.435 -3.741 -2.725
77 HG1 THR 13 HG1 THR 13 -2.590 -4.830 -4.192
78 HG21 THR 13 HG21 THR 13 -1.233 -1.801 -4.207
79 HG22 THR 13 HG22 THR 13 0.042 -2.610 -5.114
80 HG23 THR 13 HG23 THR 13 0.318 -2.142 -3.437
81 H CYS 14 HN CYS 14 2.502 -3.916 -3.905
82 HA CYS 14 HA CYS 14 2.932 -3.329 -1.090
83 HB2 CYS 14 HB2 CYS 14 4.595 -4.940 -2.005
84 HB3 CYS 14 HB1 CYS 14 4.987 -3.800 -3.285
85 H ALA 15 HN ALA 15 4.223 -1.258 -0.825
86 HA ALA 15 HA ALA 15 3.697 0.613 -2.979
87 HB1 ALA 15 HB1 ALA 15 2.964 2.287 -1.354
88 HB2 ALA 15 HB2 ALA 15 3.100 1.095 -0.064
89 HB3 ALA 15 HB3 ALA 15 1.898 0.882 -1.343
90 H ASP 16 HN ASP 16 5.234 2.142 -3.184
91 HA ASP 16 HA ASP 16 7.730 1.565 -1.810
92 HB2 ASP 16 HB2 ASP 16 7.136 3.370 -4.153
93 HB3 ASP 16 HB1 ASP 16 8.726 3.162 -3.439
94 H PHE 17 HN PHE 17 8.568 2.799 -0.355
95 HA PHE 17 HA PHE 17 7.485 5.477 0.018
96 HB2 PHE 17 HB2 PHE 17 8.231 3.415 2.104
97 HB3 PHE 17 HB1 PHE 17 7.896 5.100 2.478
98 HD1 PHE 17 HD1 PHE 17 5.638 6.009 1.853
99 HD2 PHE 17 HD2 PHE 17 6.511 1.863 1.970
100 HE1 PHE 17 HE1 PHE 17 3.258 5.532 1.998
101 HE2 PHE 17 HE2 PHE 17 4.110 1.352 2.119
102 HZ PHE 17 HZ PHE 17 2.471 3.183 2.132
103 HA PRO 18 HA PRO 18 11.753 6.596 -0.090
104 HB2 PRO 18 HB2 PRO 18 11.861 8.716 1.609
105 HB3 PRO 18 HB1 PRO 18 11.117 8.830 0.011
106 HG2 PRO 18 HG2 PRO 18 9.841 8.512 2.682
107 HG3 PRO 18 HG1 PRO 18 9.311 9.485 1.300
108 HD2 PRO 18 HD2 PRO 18 8.264 7.050 1.964
109 HD3 PRO 18 HD1 PRO 18 8.238 7.684 0.317
110 H TRP 19 HN TRP 19 13.653 6.852 1.399
111 HA TRP 19 HA TRP 19 13.420 4.814 3.349
112 HB2 TRP 19 HB2 TRP 19 15.702 6.237 2.128
113 HB3 TRP 19 HB1 TRP 19 15.959 5.501 3.719
114 HD1 TRP 19 HD1 TRP 19 14.536 4.461 0.276
115 HE1 TRP 19 HE1 TRP 19 15.031 1.960 -0.031
116 HE3 TRP 19 3HE TRP 19 16.802 3.505 4.756
117 HZ2 TRP 19 HZ2 TRP 19 16.202 -0.110 1.413
118 HZ3 TRP 19 HZ3 TRP 19 17.585 1.222 5.204
119 HH2 TRP 19 2HH TRP 19 17.293 -0.549 3.565
120 HA PRO 20 HA PRO 20 14.789 4.043 4.893
121 HB2 PRO 20 HB2 PRO 20 14.858 3.342 7.451
122 HB3 PRO 20 HB1 PRO 20 16.021 4.511 6.817
123 HG2 PRO 20 HG2 PRO 20 13.659 4.956 8.559
124 HG3 PRO 20 HG1 PRO 20 15.172 5.867 8.463
125 HD2 PRO 20 HD2 PRO 20 12.669 6.515 7.241
126 HD3 PRO 20 HD1 PRO 20 14.212 7.364 7.048
127 H LEU 21 HN LEU 21 11.890 4.790 4.737
128 HA LEU 21 HA LEU 21 10.584 2.558 5.975
129 HB2 LEU 21 HB2 LEU 21 9.832 4.531 3.890
130 HB3 LEU 21 HB1 LEU 21 8.683 3.324 4.476
131 HG LEU 21 HG LEU 21 9.932 5.572 6.089
132 HD11 LEU 21 HD11 LEU 21 7.671 6.504 6.113
133 HD12 LEU 21 HD12 LEU 21 7.123 5.197 5.060
134 HD13 LEU 21 HD13 LEU 21 8.299 6.373 4.470
135 HD21 LEU 21 HD21 LEU 21 9.483 3.616 7.476
136 HD22 LEU 21 HD22 LEU 21 7.844 3.534 6.831
137 HD23 LEU 21 HD23 LEU 21 8.328 4.905 7.832
138 H GLY 22 HN GLY 22 11.048 3.543 2.579
139 HA2 GLY 22 HA2 GLY 22 11.582 2.336 0.711
140 HA3 GLY 22 HA1 GLY 22 12.191 1.083 1.787
141 H HIS 23 HN HIS 23 11.289 -0.772 1.236
142 HA HIS 23 HA HIS 23 8.599 -0.849 0.188
143 HB2 HIS 23 HB2 HIS 23 10.536 -3.125 0.735
144 HB3 HIS 23 HB1 HIS 23 8.967 -3.303 -0.026
145 HD1 HIS 23 HD1 HIS 23 8.823 -2.699 -2.569
146 HD2 HIS 23 HD2 HIS 23 12.552 -2.056 -0.852
147 HE1 HIS 23 HE1 HIS 23 10.392 -2.267 -4.468
148 H GLN 24 HN GLN 24 7.462 -0.149 1.972
149 HA GLN 24 HA GLN 24 7.490 -1.755 4.383
150 HB2 GLN 24 HB2 GLN 24 5.608 0.448 3.506
151 HB3 GLN 24 HB1 GLN 24 5.472 -0.391 5.042
152 HG2 GLN 24 HG2 GLN 24 7.898 1.168 4.171
153 HG3 GLN 24 HG1 GLN 24 6.606 1.823 5.171
154 HE21 GLN 24 1HE2 GLN 24 6.235 -0.637 6.721
155 HE22 GLN 24 2HE2 GLN 24 7.609 -0.769 7.737
156 H CYS 25 HN CYS 25 5.502 -1.395 1.554
157 HA CYS 25 HA CYS 25 3.998 -2.687 0.516
158 HB2 CYS 25 HB2 CYS 25 5.100 -4.880 2.276
159 HB3 CYS 25 HB1 CYS 25 4.079 -5.138 0.863
160 H PHE 26 HN PHE 26 1.981 -4.170 0.822
161 HA PHE 26 HA PHE 26 0.760 -3.589 3.393
162 HB2 PHE 26 HB2 PHE 26 -0.426 -3.442 0.617
163 HB3 PHE 26 HB1 PHE 26 -1.432 -3.602 2.050
164 HD1 PHE 26 HD1 PHE 26 0.962 -1.394 0.298
165 HD2 PHE 26 HD2 PHE 26 -1.866 -1.760 3.452
166 HE1 PHE 26 HE1 PHE 26 0.995 1.049 0.617
167 HE2 PHE 26 HE2 PHE 26 -1.834 0.673 3.771
168 HZ PHE 26 HZ PHE 26 -0.399 2.081 2.350
169 HA PRO 27 HA PRO 27 0.379 -7.989 3.894
170 HB2 PRO 27 HB2 PRO 27 -2.298 -7.183 4.962
171 HB3 PRO 27 HB1 PRO 27 -1.101 -8.277 5.668
172 HG2 PRO 27 HG2 PRO 27 -1.361 -5.824 6.613
173 HG3 PRO 27 HG1 PRO 27 0.247 -6.538 6.398
174 HD2 PRO 27 HD2 PRO 27 -1.124 -4.457 4.762
175 HD3 PRO 27 HD1 PRO 27 0.596 -4.658 5.147
176 H ASP 28 HN ASP 28 -2.657 -6.361 3.017
177 HA ASP 28 HA ASP 28 -3.053 -8.438 0.972
178 HB2 ASP 28 HB2 ASP 28 -4.791 -8.534 2.718
179 HB3 ASP 28 HB1 ASP 28 -5.183 -6.844 2.425
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 -5.286 -6.088 0.695
2 HA2 GLY 1 HA2 GLY 1 -4.031 -3.839 -0.487
3 HA3 GLY 1 HA1 GLY 1 -5.627 -4.456 -0.875
4 H PHE 2 HN PHE 2 -4.660 -1.720 -0.585
5 HA PHE 2 HA PHE 2 -6.137 -0.818 1.753
6 HB2 PHE 2 HB2 PHE 2 -5.047 1.378 1.364
7 HB3 PHE 2 HB1 PHE 2 -3.880 0.089 1.585
8 HD1 PHE 2 HD1 PHE 2 -2.672 -0.822 -0.482
9 HD2 PHE 2 HD2 PHE 2 -5.052 2.711 -0.558
10 HE1 PHE 2 HE1 PHE 2 -1.555 -0.116 -2.540
11 HE2 PHE 2 HE2 PHE 2 -3.939 3.411 -2.618
12 HZ PHE 2 HZ PHE 2 -2.184 2.001 -3.618
13 H CYS 3 HN CYS 3 -8.029 0.231 1.596
14 HA CYS 3 HA CYS 3 -8.929 1.107 -1.034
15 HB2 CYS 3 HB2 CYS 3 -10.536 -0.677 0.815
16 HB3 CYS 3 HB1 CYS 3 -11.038 -0.056 -0.754
17 H TRP 4 HN TRP 4 -10.562 2.706 -0.886
18 HA TRP 4 HA TRP 4 -11.023 3.707 1.828
19 HB2 TRP 4 HB2 TRP 4 -10.665 5.351 -0.687
20 HB3 TRP 4 HB1 TRP 4 -11.176 6.008 0.863
21 HD1 TRP 4 HD1 TRP 4 -9.285 5.766 2.898
22 HE1 TRP 4 HE1 TRP 4 -6.729 5.959 2.748
23 HE3 TRP 4 3HE TRP 4 -8.707 4.995 -2.118
24 HZ2 TRP 4 HZ2 TRP 4 -4.726 5.830 0.763
25 HZ3 TRP 4 HZ3 TRP 4 -6.437 5.054 -3.067
26 HH2 TRP 4 2HH TRP 4 -4.490 5.462 -1.652
27 H HIS 5 HN HIS 5 -12.480 4.802 -1.212
28 HA HIS 5 HA HIS 5 -15.007 3.774 -0.164
29 HB2 HIS 5 HB2 HIS 5 -14.547 6.281 -1.808
30 HB3 HIS 5 HB1 HIS 5 -16.141 5.616 -1.476
31 HD1 HIS 5 HD1 HIS 5 -17.116 6.064 0.869
32 HD2 HIS 5 HD2 HIS 5 -13.241 7.462 0.360
33 HE1 HIS 5 HE1 HIS 5 -16.633 7.530 2.872
34 H HIS 6 HN HIS 6 -14.251 5.059 -3.379
35 HA HIS 6 HA HIS 6 -15.209 2.532 -4.442
36 HB2 HIS 6 HB2 HIS 6 -14.686 5.178 -5.809
37 HB3 HIS 6 HB1 HIS 6 -15.104 3.710 -6.684
38 HD1 HIS 6 HD1 HIS 6 -16.649 6.603 -5.127
39 HD2 HIS 6 HD2 HIS 6 -17.690 2.638 -5.803
40 HE1 HIS 6 HE1 HIS 6 -19.146 6.492 -4.909
41 H SER 7 HN SER 7 -12.296 4.359 -4.133
42 HA SER 7 HA SER 7 -10.818 2.706 -5.920
43 HB2 SER 7 HB2 SER 7 -9.876 4.538 -3.713
44 HB3 SER 7 HB1 SER 7 -8.862 3.876 -4.990
45 HG SER 7 HG SER 7 -9.500 5.983 -5.453
46 H CYS 8 HN CYS 8 -10.238 0.699 -5.450
47 HA CYS 8 HA CYS 8 -9.562 -0.016 -2.726
48 HB2 CYS 8 HB2 CYS 8 -12.005 -0.559 -3.131
49 HB3 CYS 8 HB1 CYS 8 -11.472 -1.660 -4.396
50 H VAL 9 HN VAL 9 -7.596 -0.787 -2.888
51 HA VAL 9 HA VAL 9 -6.717 -1.909 -5.427
52 HB VAL 9 HB VAL 9 -5.088 -0.965 -3.045
53 HG11 VAL 9 HG11 VAL 9 -4.265 -1.495 -5.890
54 HG12 VAL 9 HG12 VAL 9 -3.875 -2.496 -4.489
55 HG13 VAL 9 3HG1 VAL 9 -3.239 -0.854 -4.609
56 HG21 VAL 9 HG21 VAL 9 -6.364 0.883 -3.929
57 HG22 VAL 9 HG22 VAL 9 -5.809 0.515 -5.560
58 HG23 VAL 9 HG23 VAL 9 -4.659 1.072 -4.341
59 HA PRO 10 HA PRO 10 -6.836 -5.976 -3.560
60 HB2 PRO 10 HB2 PRO 10 -5.048 -7.204 -5.186
61 HB3 PRO 10 HB1 PRO 10 -6.734 -6.889 -5.653
62 HG2 PRO 10 HG2 PRO 10 -4.244 -5.356 -6.313
63 HG3 PRO 10 HG1 PRO 10 -5.603 -5.776 -7.371
64 HD2 PRO 10 HD2 PRO 10 -5.362 -3.333 -6.320
65 HD3 PRO 10 HD1 PRO 10 -6.954 -4.097 -6.502
66 H SER 11 HN SER 11 -5.610 -7.398 -2.347
67 HA SER 11 HA SER 11 -3.358 -6.441 -0.970
68 HB2 SER 11 HB2 SER 11 -4.440 -9.258 -1.197
69 HB3 SER 11 HB1 SER 11 -3.355 -8.663 0.062
70 HG SER 11 HG SER 11 -6.045 -8.459 -0.116
71 H GLY 12 HN GLY 12 -1.200 -6.914 -1.208
72 HA2 GLY 12 HA2 GLY 12 0.554 -8.338 -2.140
73 HA3 GLY 12 HA1 GLY 12 -0.454 -8.512 -3.574
74 H THR 13 HN THR 13 -1.132 -5.594 -3.160
75 HA THR 13 HA THR 13 0.669 -4.477 -5.000
76 HB THR 13 HB THR 13 -1.219 -3.100 -3.076
77 HG1 THR 13 HG1 THR 13 -2.628 -4.189 -4.268
78 HG21 THR 13 HG21 THR 13 -1.239 -1.287 -4.733
79 HG22 THR 13 HG22 THR 13 -0.086 -2.173 -5.734
80 HG23 THR 13 HG23 THR 13 0.400 -1.566 -4.149
81 H CYS 14 HN CYS 14 2.506 -3.249 -4.687
82 HA CYS 14 HA CYS 14 3.197 -2.702 -1.926
83 HB2 CYS 14 HB2 CYS 14 4.543 -4.573 -2.794
84 HB3 CYS 14 HB1 CYS 14 5.098 -3.552 -4.116
85 H ALA 15 HN ALA 15 4.450 -0.843 -1.574
86 HA ALA 15 HA ALA 15 4.551 1.085 -3.749
87 HB1 ALA 15 HB1 ALA 15 3.760 2.793 -2.162
88 HB2 ALA 15 HB2 ALA 15 3.501 1.542 -0.962
89 HB3 ALA 15 HB3 ALA 15 2.535 1.554 -2.448
90 H ASP 16 HN ASP 16 6.365 2.353 -3.608
91 HA ASP 16 HA ASP 16 8.229 1.611 -1.519
92 HB2 ASP 16 HB2 ASP 16 9.978 2.615 -2.829
93 HB3 ASP 16 HB1 ASP 16 8.987 1.694 -3.933
94 H PHE 17 HN PHE 17 8.706 2.838 0.086
95 HA PHE 17 HA PHE 17 7.468 5.484 0.281
96 HB2 PHE 17 HB2 PHE 17 8.075 3.416 2.411
97 HB3 PHE 17 HB1 PHE 17 7.426 5.013 2.736
98 HD1 PHE 17 HD1 PHE 17 5.170 5.588 1.650
99 HD2 PHE 17 HD2 PHE 17 6.664 1.621 2.013
100 HE1 PHE 17 HE1 PHE 17 2.901 4.718 1.424
101 HE2 PHE 17 HE2 PHE 17 4.402 0.740 1.792
102 HZ PHE 17 HZ PHE 17 2.503 2.279 1.493
103 HA PRO 18 HA PRO 18 11.539 7.324 1.197
104 HB2 PRO 18 HB2 PRO 18 10.497 8.087 3.859
105 HB3 PRO 18 HB1 PRO 18 11.210 9.100 2.602
106 HG2 PRO 18 HG2 PRO 18 8.595 9.171 3.109
107 HG3 PRO 18 HG1 PRO 18 9.210 9.313 1.456
108 HD2 PRO 18 HD2 PRO 18 7.925 7.003 2.817
109 HD3 PRO 18 HD1 PRO 18 7.807 7.510 1.122
110 H TRP 19 HN TRP 19 13.338 6.726 2.103
111 HA TRP 19 HA TRP 19 13.512 4.368 3.603
112 HB2 TRP 19 HB2 TRP 19 15.517 4.620 2.572
113 HB3 TRP 19 HB1 TRP 19 15.272 6.339 2.362
114 HD1 TRP 19 HD1 TRP 19 16.211 7.903 4.214
115 HE1 TRP 19 HE1 TRP 19 18.187 7.627 5.894
116 HE3 TRP 19 3HE TRP 19 16.706 2.849 4.009
117 HZ2 TRP 19 HZ2 TRP 19 19.717 5.505 6.952
118 HZ3 TRP 19 HZ3 TRP 19 18.441 1.761 5.364
119 HH2 TRP 19 2HH TRP 19 19.914 3.063 6.808
120 HA PRO 20 HA PRO 20 14.887 3.516 5.151
121 HB2 PRO 20 HB2 PRO 20 14.861 2.307 7.481
122 HB3 PRO 20 HB1 PRO 20 15.903 3.717 7.226
123 HG2 PRO 20 HG2 PRO 20 13.268 3.538 8.624
124 HG3 PRO 20 HG1 PRO 20 14.714 4.454 9.084
125 HD2 PRO 20 HD2 PRO 20 12.493 5.486 7.726
126 HD3 PRO 20 HD1 PRO 20 14.092 6.247 7.815
127 H LEU 21 HN LEU 21 11.808 4.099 5.217
128 HA LEU 21 HA LEU 21 10.684 1.558 5.866
129 HB2 LEU 21 HB2 LEU 21 9.857 3.890 4.283
130 HB3 LEU 21 HB1 LEU 21 8.748 2.522 4.478
131 HG LEU 21 HG LEU 21 9.799 4.371 6.654
132 HD11 LEU 21 HD11 LEU 21 7.045 4.084 5.458
133 HD12 LEU 21 HD12 LEU 21 8.150 5.434 5.203
134 HD13 LEU 21 HD13 LEU 21 7.480 5.134 6.807
135 HD21 LEU 21 HD21 LEU 21 8.219 3.205 8.128
136 HD22 LEU 21 HD22 LEU 21 9.447 2.102 7.505
137 HD23 LEU 21 HD23 LEU 21 7.821 2.099 6.814
138 H GLY 22 HN GLY 22 11.031 3.242 2.745
139 HA2 GLY 22 HA2 GLY 22 11.545 2.454 0.671
140 HA3 GLY 22 HA1 GLY 22 12.226 1.023 1.440
141 H HIS 23 HN HIS 23 11.322 -0.652 0.404
142 HA HIS 23 HA HIS 23 8.530 -0.550 -0.321
143 HB2 HIS 23 HB2 HIS 23 10.642 -2.637 -0.809
144 HB3 HIS 23 HB1 HIS 23 8.943 -2.959 -1.107
145 HD1 HIS 23 HD1 HIS 23 8.082 -2.308 -3.365
146 HD2 HIS 23 HD2 HIS 23 11.675 -0.454 -2.425
147 HE1 HIS 23 HE1 HIS 23 8.786 -1.065 -5.436
148 H GLN 24 HN GLN 24 7.629 -0.377 1.652
149 HA GLN 24 HA GLN 24 7.831 -2.497 3.586
150 HB2 GLN 24 HB2 GLN 24 5.844 -0.240 3.304
151 HB3 GLN 24 HB1 GLN 24 5.866 -1.371 4.649
152 HG2 GLN 24 HG2 GLN 24 8.119 0.468 3.898
153 HG3 GLN 24 HG1 GLN 24 6.946 0.765 5.183
154 HE21 GLN 24 1HE2 GLN 24 7.006 -0.524 7.005
155 HE22 GLN 24 2HE2 GLN 24 8.395 -1.447 7.444
156 H CYS 25 HN CYS 25 5.731 -1.597 0.998
157 HA CYS 25 HA CYS 25 4.220 -2.659 -0.234
158 HB2 CYS 25 HB2 CYS 25 5.200 -5.165 1.142
159 HB3 CYS 25 HB1 CYS 25 4.218 -5.118 -0.326
160 H PHE 26 HN PHE 26 2.110 -4.034 -0.133
161 HA PHE 26 HA PHE 26 0.904 -3.518 2.465
162 HB2 PHE 26 HB2 PHE 26 -0.308 -3.360 -0.288
163 HB3 PHE 26 HB1 PHE 26 -1.245 -3.298 1.200
164 HD1 PHE 26 HD1 PHE 26 0.714 -1.444 -1.148
165 HD2 PHE 26 HD2 PHE 26 -0.773 -1.483 2.819
166 HE1 PHE 26 HE1 PHE 26 1.081 0.987 -1.000
167 HE2 PHE 26 HE2 PHE 26 -0.413 0.952 2.987
168 HZ PHE 26 HZ PHE 26 0.508 2.188 1.069
169 HA PRO 27 HA PRO 27 0.624 -8.066 2.697
170 HB2 PRO 27 HB2 PRO 27 -0.939 -6.800 4.926
171 HB3 PRO 27 HB1 PRO 27 0.052 -8.272 4.999
172 HG2 PRO 27 HG2 PRO 27 1.043 -6.062 5.945
173 HG3 PRO 27 HG1 PRO 27 2.051 -7.011 4.832
174 HD2 PRO 27 HD2 PRO 27 0.529 -4.498 4.338
175 HD3 PRO 27 HD1 PRO 27 2.116 -4.997 3.716
176 H ASP 28 HN ASP 28 -1.966 -5.841 3.562
177 HA ASP 28 HA ASP 28 -3.841 -7.358 1.903
178 HB2 ASP 28 HB2 ASP 28 -5.631 -6.628 3.362
179 HB3 ASP 28 HB1 ASP 28 -4.389 -7.367 4.364
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 -4.636 -5.304 1.016
2 HA2 GLY 1 HA2 GLY 1 -3.126 -3.131 -0.025
3 HA3 GLY 1 HA1 GLY 1 -4.582 -3.811 -0.771
4 H PHE 2 HN PHE 2 -3.848 -1.071 -0.514
5 HA PHE 2 HA PHE 2 -5.363 0.061 1.610
6 HB2 PHE 2 HB2 PHE 2 -4.782 2.255 0.543
7 HB3 PHE 2 HB1 PHE 2 -3.392 1.264 0.951
8 HD1 PHE 2 HD1 PHE 2 -5.184 2.958 -1.667
9 HD2 PHE 2 HD2 PHE 2 -2.189 0.055 -0.884
10 HE1 PHE 2 HE1 PHE 2 -4.349 3.197 -3.972
11 HE2 PHE 2 HE2 PHE 2 -1.355 0.279 -3.175
12 HZ PHE 2 HZ PHE 2 -2.427 1.845 -4.726
13 H CYS 3 HN CYS 3 -7.370 0.673 1.617
14 HA CYS 3 HA CYS 3 -8.815 0.833 -0.903
15 HB2 CYS 3 HB2 CYS 3 -9.702 -0.693 1.553
16 HB3 CYS 3 HB1 CYS 3 -10.723 -0.348 0.165
17 H TRP 4 HN TRP 4 -10.253 2.381 -0.994
18 HA TRP 4 HA TRP 4 -11.022 3.785 1.476
19 HB2 TRP 4 HB2 TRP 4 -11.026 5.057 -1.268
20 HB3 TRP 4 HB1 TRP 4 -11.059 5.847 0.297
21 HD1 TRP 4 HD1 TRP 4 -8.586 5.722 1.674
22 HE1 TRP 4 HE1 TRP 4 -6.214 5.923 0.644
23 HE3 TRP 4 3HE TRP 4 -9.767 4.659 -3.099
24 HZ2 TRP 4 HZ2 TRP 4 -5.033 5.658 -1.911
25 HZ3 TRP 4 HZ3 TRP 4 -7.965 4.644 -4.834
26 HH2 TRP 4 2HH TRP 4 -5.659 5.135 -4.229
27 H HIS 5 HN HIS 5 -13.026 5.219 0.073
28 HA HIS 5 HA HIS 5 -14.640 3.025 -0.966
29 HB2 HIS 5 HB2 HIS 5 -15.603 5.506 0.496
30 HB3 HIS 5 HB1 HIS 5 -16.659 4.384 -0.338
31 HD1 HIS 5 HD1 HIS 5 -17.921 3.375 1.572
32 HD2 HIS 5 HD2 HIS 5 -13.831 3.371 2.225
33 HE1 HIS 5 HE1 HIS 5 -17.551 2.076 3.706
34 H HIS 6 HN HIS 6 -13.651 3.330 -2.832
35 HA HIS 6 HA HIS 6 -14.764 5.001 -4.768
36 HB2 HIS 6 HB2 HIS 6 -13.366 6.750 -3.558
37 HB3 HIS 6 HB1 HIS 6 -11.945 5.781 -3.909
38 HD1 HIS 6 HD1 HIS 6 -14.458 8.029 -5.559
39 HD2 HIS 6 HD2 HIS 6 -10.955 6.013 -6.484
40 HE1 HIS 6 HE1 HIS 6 -13.709 8.921 -7.801
41 H SER 7 HN SER 7 -11.756 3.570 -3.642
42 HA SER 7 HA SER 7 -11.889 1.515 -5.662
43 HB2 SER 7 HB2 SER 7 -9.432 3.236 -5.241
44 HB3 SER 7 HB1 SER 7 -9.573 1.872 -6.350
45 HG SER 7 HG SER 7 -11.546 3.437 -6.954
46 H CYS 8 HN CYS 8 -11.300 -0.385 -4.750
47 HA CYS 8 HA CYS 8 -9.780 -0.313 -2.260
48 HB2 CYS 8 HB2 CYS 8 -12.130 -1.131 -2.015
49 HB3 CYS 8 HB1 CYS 8 -11.796 -2.376 -3.207
50 H VAL 9 HN VAL 9 -7.737 -0.747 -2.808
51 HA VAL 9 HA VAL 9 -7.187 -2.354 -5.142
52 HB VAL 9 HB VAL 9 -5.279 -0.940 -3.238
53 HG11 VAL 9 HG11 VAL 9 -3.640 -1.107 -5.037
54 HG12 VAL 9 HG12 VAL 9 -4.806 -1.973 -6.032
55 HG13 VAL 9 3HG1 VAL 9 -4.197 -2.708 -4.548
56 HG21 VAL 9 HG21 VAL 9 -6.415 0.005 -5.870
57 HG22 VAL 9 HG22 VAL 9 -5.158 0.826 -4.942
58 HG23 VAL 9 HG23 VAL 9 -6.779 0.660 -4.272
59 HA PRO 10 HA PRO 10 -6.912 -6.037 -2.702
60 HB2 PRO 10 HB2 PRO 10 -5.369 -7.519 -4.373
61 HB3 PRO 10 HB1 PRO 10 -7.113 -7.291 -4.596
62 HG2 PRO 10 HG2 PRO 10 -4.819 -5.900 -5.925
63 HG3 PRO 10 HG1 PRO 10 -6.346 -6.456 -6.632
64 HD2 PRO 10 HD2 PRO 10 -5.913 -3.881 -6.021
65 HD3 PRO 10 HD1 PRO 10 -7.518 -4.620 -5.846
66 H SER 11 HN SER 11 -5.495 -7.226 -1.475
67 HA SER 11 HA SER 11 -3.113 -6.015 -0.652
68 HB2 SER 11 HB2 SER 11 -4.145 -8.819 -0.207
69 HB3 SER 11 HB1 SER 11 -2.933 -7.984 0.773
70 HG SER 11 HG SER 11 -5.501 -7.937 1.175
71 H GLY 12 HN GLY 12 -0.986 -6.565 -1.119
72 HA2 GLY 12 HA2 GLY 12 0.596 -8.073 -2.140
73 HA3 GLY 12 HA1 GLY 12 -0.633 -8.454 -3.344
74 H THR 13 HN THR 13 -1.196 -5.391 -3.014
75 HA THR 13 HA THR 13 0.269 -4.605 -5.283
76 HB THR 13 HB THR 13 -1.932 -3.645 -4.928
77 HG1 THR 13 HG1 THR 13 -1.076 -2.100 -5.988
78 HG21 THR 13 HG21 THR 13 -0.733 -2.377 -2.510
79 HG22 THR 13 HG22 THR 13 -1.894 -3.708 -2.524
80 HG23 THR 13 HG23 THR 13 -2.386 -2.094 -3.096
81 H CYS 14 HN CYS 14 2.196 -3.614 -5.420
82 HA CYS 14 HA CYS 14 3.492 -3.129 -2.875
83 HB2 CYS 14 HB2 CYS 14 4.649 -3.814 -5.561
84 HB3 CYS 14 HB1 CYS 14 5.638 -3.295 -4.196
85 H ALA 15 HN ALA 15 4.982 -1.386 -2.611
86 HA ALA 15 HA ALA 15 4.740 0.875 -4.336
87 HB1 ALA 15 HB1 ALA 15 3.807 2.332 -2.605
88 HB2 ALA 15 HB2 ALA 15 3.629 0.954 -1.531
89 HB3 ALA 15 HB3 ALA 15 2.665 1.045 -3.010
90 H ASP 16 HN ASP 16 6.463 2.140 -4.055
91 HA ASP 16 HA ASP 16 8.487 1.390 -2.124
92 HB2 ASP 16 HB2 ASP 16 9.182 1.841 -4.421
93 HB3 ASP 16 HB1 ASP 16 8.429 3.429 -4.361
94 H PHE 17 HN PHE 17 8.557 2.354 -0.191
95 HA PHE 17 HA PHE 17 7.130 4.874 0.140
96 HB2 PHE 17 HB2 PHE 17 7.916 2.767 2.156
97 HB3 PHE 17 HB1 PHE 17 7.086 4.265 2.542
98 HD1 PHE 17 HD1 PHE 17 6.747 0.864 1.503
99 HD2 PHE 17 HD2 PHE 17 4.803 4.642 1.555
100 HE1 PHE 17 HE1 PHE 17 4.594 -0.248 1.152
101 HE2 PHE 17 HE2 PHE 17 2.653 3.550 1.204
102 HZ PHE 17 HZ PHE 17 2.538 1.090 1.003
103 HA PRO 18 HA PRO 18 10.989 6.895 1.233
104 HB2 PRO 18 HB2 PRO 18 9.629 8.065 3.586
105 HB3 PRO 18 HB1 PRO 18 10.381 8.878 2.218
106 HG2 PRO 18 HG2 PRO 18 7.724 8.807 2.498
107 HG3 PRO 18 HG1 PRO 18 8.490 8.715 0.903
108 HD2 PRO 18 HD2 PRO 18 7.298 6.530 2.562
109 HD3 PRO 18 HD1 PRO 18 7.231 6.801 0.808
110 H TRP 19 HN TRP 19 12.500 7.118 3.081
111 HA TRP 19 HA TRP 19 12.712 4.686 4.491
112 HB2 TRP 19 HB2 TRP 19 14.362 7.118 4.251
113 HB3 TRP 19 HB1 TRP 19 14.590 6.161 5.715
114 HD1 TRP 19 HD1 TRP 19 14.622 5.637 1.877
115 HE1 TRP 19 HE1 TRP 19 16.260 3.706 1.394
116 HE3 TRP 19 3HE TRP 19 15.868 4.384 6.660
117 HZ2 TRP 19 HZ2 TRP 19 17.837 1.922 2.830
118 HZ3 TRP 19 HZ3 TRP 19 17.467 2.547 7.022
119 HH2 TRP 19 2HH TRP 19 18.434 1.342 5.144
120 HA PRO 20 HA PRO 20 13.762 3.871 6.139
121 HB2 PRO 20 HB2 PRO 20 13.565 2.522 8.392
122 HB3 PRO 20 HB1 PRO 20 14.324 4.121 8.392
123 HG2 PRO 20 HG2 PRO 20 11.622 3.309 9.346
124 HG3 PRO 20 HG1 PRO 20 12.728 4.526 10.003
125 HD2 PRO 20 HD2 PRO 20 10.527 4.981 8.274
126 HD3 PRO 20 HD1 PRO 20 11.776 6.156 8.735
127 H LEU 21 HN LEU 21 10.691 3.919 5.709
128 HA LEU 21 HA LEU 21 9.838 1.231 6.024
129 HB2 LEU 21 HB2 LEU 21 9.015 3.512 4.340
130 HB3 LEU 21 HB1 LEU 21 8.127 1.986 4.274
131 HG LEU 21 HG LEU 21 8.405 3.796 6.700
132 HD11 LEU 21 HD11 LEU 21 7.028 4.800 4.949
133 HD12 LEU 21 HD12 LEU 21 6.030 4.284 6.309
134 HD13 LEU 21 HD13 LEU 21 6.080 3.319 4.835
135 HD21 LEU 21 HD21 LEU 21 6.696 2.359 7.685
136 HD22 LEU 21 HD22 LEU 21 8.131 1.420 7.272
137 HD23 LEU 21 HD23 LEU 21 6.702 1.347 6.244
138 H GLY 22 HN GLY 22 10.653 3.104 3.114
139 HA2 GLY 22 HA2 GLY 22 11.718 2.466 1.173
140 HA3 GLY 22 HA1 GLY 22 12.275 1.024 2.022
141 H HIS 23 HN HIS 23 11.790 -0.406 0.365
142 HA HIS 23 HA HIS 23 9.079 -0.429 -0.591
143 HB2 HIS 23 HB2 HIS 23 10.914 -1.013 -2.163
144 HB3 HIS 23 HB1 HIS 23 11.275 -2.435 -1.187
145 HD1 HIS 23 HD1 HIS 23 10.117 -4.550 -1.981
146 HD2 HIS 23 HD2 HIS 23 8.125 -1.089 -3.143
147 HE1 HIS 23 HE1 HIS 23 8.159 -5.296 -3.371
148 H GLN 24 HN GLN 24 7.926 -0.774 1.167
149 HA GLN 24 HA GLN 24 8.222 -3.271 2.634
150 HB2 GLN 24 HB2 GLN 24 6.385 -0.915 3.009
151 HB3 GLN 24 HB1 GLN 24 6.261 -2.397 3.941
152 HG2 GLN 24 HG2 GLN 24 8.679 -0.617 3.846
153 HG3 GLN 24 HG1 GLN 24 7.467 -0.631 5.129
154 HE21 GLN 24 1HE2 GLN 24 10.154 -2.299 3.716
155 HE22 GLN 24 2HE2 GLN 24 10.336 -3.474 4.960
156 H CYS 25 HN CYS 25 6.235 -1.805 0.210
157 HA CYS 25 HA CYS 25 4.518 -2.499 -1.055
158 HB2 CYS 25 HB2 CYS 25 6.019 -4.456 -1.512
159 HB3 CYS 25 HB1 CYS 25 5.348 -5.291 -0.123
160 H PHE 26 HN PHE 26 2.337 -4.103 -0.781
161 HA PHE 26 HA PHE 26 1.400 -3.433 1.896
162 HB2 PHE 26 HB2 PHE 26 -0.021 -3.369 -0.727
163 HB3 PHE 26 HB1 PHE 26 -0.903 -3.497 0.787
164 HD1 PHE 26 HD1 PHE 26 0.907 -1.318 -1.443
165 HD2 PHE 26 HD2 PHE 26 -0.733 -1.728 2.448
166 HE1 PHE 26 HE1 PHE 26 0.981 1.120 -1.168
167 HE2 PHE 26 HE2 PHE 26 -0.671 0.718 2.743
168 HZ PHE 26 HZ PHE 26 0.190 2.142 0.928
169 HA PRO 27 HA PRO 27 0.848 -7.911 2.365
170 HB2 PRO 27 HB2 PRO 27 0.053 -6.808 5.003
171 HB3 PRO 27 HB1 PRO 27 1.186 -8.134 4.665
172 HG2 PRO 27 HG2 PRO 27 2.080 -5.790 5.483
173 HG3 PRO 27 HG1 PRO 27 2.926 -6.634 4.172
174 HD2 PRO 27 HD2 PRO 27 1.007 -4.343 4.028
175 HD3 PRO 27 HD1 PRO 27 2.540 -4.600 3.160
176 H ASP 28 HN ASP 28 -1.045 -5.164 3.161
177 HA ASP 28 HA ASP 28 -3.566 -6.509 2.495
178 HB2 ASP 28 HB2 ASP 28 -3.401 -6.095 4.990
179 HB3 ASP 28 HB1 ASP 28 -3.136 -4.395 4.561
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 -4.699 -5.126 1.633
2 HA2 GLY 1 HA2 GLY 1 -3.793 -3.413 -0.511
3 HA3 GLY 1 HA1 GLY 1 -5.315 -4.278 -0.748
4 H PHE 2 HN PHE 2 -6.432 -2.257 -0.748
5 HA PHE 2 HA PHE 2 -7.561 -1.595 1.706
6 HB2 PHE 2 HB2 PHE 2 -6.783 0.771 1.949
7 HB3 PHE 2 HB1 PHE 2 -5.497 -0.388 2.225
8 HD1 PHE 2 HD1 PHE 2 -3.825 -0.786 0.325
9 HD2 PHE 2 HD2 PHE 2 -6.546 2.492 0.386
10 HE1 PHE 2 HE1 PHE 2 -2.423 0.398 -1.274
11 HE2 PHE 2 HE2 PHE 2 -5.129 3.679 -1.234
12 HZ PHE 2 HZ PHE 2 -3.056 2.608 -2.064
13 H CYS 3 HN CYS 3 -9.364 -0.204 1.402
14 HA CYS 3 HA CYS 3 -9.821 0.456 -1.414
15 HB2 CYS 3 HB2 CYS 3 -11.050 -1.592 -0.839
16 HB3 CYS 3 HB1 CYS 3 -11.829 -0.757 0.502
17 H TRP 4 HN TRP 4 -10.965 2.342 -1.814
18 HA TRP 4 HA TRP 4 -11.087 4.075 0.491
19 HB2 TRP 4 HB2 TRP 4 -11.401 4.684 -2.457
20 HB3 TRP 4 HB1 TRP 4 -11.588 5.886 -1.186
21 HD1 TRP 4 HD1 TRP 4 -9.277 6.191 0.400
22 HE1 TRP 4 HE1 TRP 4 -6.840 6.295 -0.383
23 HE3 TRP 4 3HE TRP 4 -9.797 3.944 -4.143
24 HZ2 TRP 4 HZ2 TRP 4 -5.323 5.541 -2.644
25 HZ3 TRP 4 HZ3 TRP 4 -7.805 3.677 -5.569
26 HH2 TRP 4 2HH TRP 4 -5.615 4.459 -4.830
27 H HIS 5 HN HIS 5 -13.327 4.311 -2.201
28 HA HIS 5 HA HIS 5 -15.473 3.713 -0.278
29 HB2 HIS 5 HB2 HIS 5 -15.532 5.632 -2.621
30 HB3 HIS 5 HB1 HIS 5 -16.957 5.142 -1.730
31 HD1 HIS 5 HD1 HIS 5 -17.617 6.760 0.056
32 HD2 HIS 5 HD2 HIS 5 -13.558 6.932 -0.783
33 HE1 HIS 5 HE1 HIS 5 -16.706 8.695 1.392
34 H HIS 6 HN HIS 6 -15.032 3.915 -3.786
35 HA HIS 6 HA HIS 6 -16.360 1.297 -3.959
36 HB2 HIS 6 HB2 HIS 6 -16.447 3.561 -5.964
37 HB3 HIS 6 HB1 HIS 6 -17.187 1.976 -6.183
38 HD1 HIS 6 HD1 HIS 6 -17.871 5.298 -4.843
39 HD2 HIS 6 HD2 HIS 6 -19.268 1.436 -4.232
40 HE1 HIS 6 HE1 HIS 6 -20.050 5.528 -3.591
41 H SER 7 HN SER 7 -13.575 3.068 -4.560
42 HA SER 7 HA SER 7 -12.571 1.218 -6.567
43 HB2 SER 7 HB2 SER 7 -11.253 3.624 -5.324
44 HB3 SER 7 HB1 SER 7 -10.826 2.838 -6.851
45 HG SER 7 HG SER 7 -13.203 3.430 -7.302
46 H CYS 8 HN CYS 8 -11.593 -0.561 -5.742
47 HA CYS 8 HA CYS 8 -10.390 -0.342 -3.089
48 HB2 CYS 8 HB2 CYS 8 -11.586 -2.788 -4.392
49 HB3 CYS 8 HB1 CYS 8 -10.870 -2.726 -2.790
50 H VAL 9 HN VAL 9 -8.268 -0.618 -3.001
51 HA VAL 9 HA VAL 9 -6.815 -1.427 -5.338
52 HB VAL 9 HB VAL 9 -5.835 -0.739 -2.546
53 HG11 VAL 9 HG11 VAL 9 -4.396 -0.791 -5.179
54 HG12 VAL 9 HG12 VAL 9 -4.179 -1.921 -3.841
55 HG13 VAL 9 3HG1 VAL 9 -3.719 -0.226 -3.655
56 HG21 VAL 9 HG21 VAL 9 -7.102 1.126 -3.447
57 HG22 VAL 9 HG22 VAL 9 -6.151 1.082 -4.930
58 HG23 VAL 9 HG23 VAL 9 -5.383 1.512 -3.403
59 HA PRO 10 HA PRO 10 -7.162 -5.639 -3.984
60 HB2 PRO 10 HB2 PRO 10 -5.514 -6.783 -5.794
61 HB3 PRO 10 HB1 PRO 10 -7.122 -6.183 -6.213
62 HG2 PRO 10 HG2 PRO 10 -4.459 -4.881 -6.602
63 HG3 PRO 10 HG1 PRO 10 -5.828 -4.980 -7.724
64 HD2 PRO 10 HD2 PRO 10 -5.314 -2.773 -6.243
65 HD3 PRO 10 HD1 PRO 10 -6.961 -3.261 -6.692
66 H SER 11 HN SER 11 -5.860 -7.436 -3.259
67 HA SER 11 HA SER 11 -3.806 -6.699 -1.508
68 HB2 SER 11 HB2 SER 11 -4.553 -9.463 -2.482
69 HB3 SER 11 HB1 SER 11 -3.783 -9.023 -0.955
70 HG SER 11 HG SER 11 -6.194 -9.421 -1.084
71 H GLY 12 HN GLY 12 -1.696 -6.607 -1.877
72 HA2 GLY 12 HA2 GLY 12 0.311 -7.530 -2.903
73 HA3 GLY 12 HA1 GLY 12 -0.650 -7.811 -4.355
74 H THR 13 HN THR 13 -0.200 -5.078 -2.182
75 HA THR 13 HA THR 13 0.525 -3.429 -4.485
76 HB THR 13 HB THR 13 -1.296 -2.623 -2.179
77 HG1 THR 13 HG1 THR 13 -2.676 -3.707 -3.462
78 HG21 THR 13 HG21 THR 13 0.074 -0.766 -3.119
79 HG22 THR 13 HG22 THR 13 -1.645 -0.568 -3.428
80 HG23 THR 13 HG23 THR 13 -0.579 -1.128 -4.720
81 H CYS 14 HN CYS 14 2.237 -2.032 -4.071
82 HA CYS 14 HA CYS 14 3.280 -2.244 -1.392
83 HB2 CYS 14 HB2 CYS 14 4.645 -3.354 -3.164
84 HB3 CYS 14 HB1 CYS 14 4.925 -1.775 -3.889
85 H ALA 15 HN ALA 15 4.713 -0.299 -0.794
86 HA ALA 15 HA ALA 15 3.676 2.176 -1.877
87 HB1 ALA 15 HB1 ALA 15 3.464 3.032 0.435
88 HB2 ALA 15 HB2 ALA 15 3.811 1.409 1.042
89 HB3 ALA 15 HB3 ALA 15 2.344 1.707 0.114
90 H ASP 16 HN ASP 16 5.232 3.659 -1.984
91 HA ASP 16 HA ASP 16 7.933 2.741 -1.490
92 HB2 ASP 16 HB2 ASP 16 7.421 3.696 -3.671
93 HB3 ASP 16 HB1 ASP 16 6.912 5.200 -2.910
94 H PHE 17 HN PHE 17 8.735 3.085 0.419
95 HA PHE 17 HA PHE 17 8.274 5.661 1.722
96 HB2 PHE 17 HB2 PHE 17 8.807 2.905 2.825
97 HB3 PHE 17 HB1 PHE 17 9.116 4.341 3.789
98 HD1 PHE 17 HD1 PHE 17 6.541 2.236 2.264
99 HD2 PHE 17 HD2 PHE 17 7.324 5.673 4.629
100 HE1 PHE 17 HE1 PHE 17 4.182 2.286 2.969
101 HE2 PHE 17 HE2 PHE 17 4.983 5.745 5.331
102 HZ PHE 17 HZ PHE 17 3.395 4.042 4.505
103 HA PRO 18 HA PRO 18 12.575 6.573 1.201
104 HB2 PRO 18 HB2 PRO 18 13.202 7.710 3.603
105 HB3 PRO 18 HB1 PRO 18 12.284 8.557 2.350
106 HG2 PRO 18 HG2 PRO 18 11.296 7.123 4.787
107 HG3 PRO 18 HG1 PRO 18 10.791 8.692 4.134
108 HD2 PRO 18 HD2 PRO 18 9.350 6.474 3.739
109 HD3 PRO 18 HD1 PRO 18 9.475 7.712 2.480
110 H TRP 19 HN TRP 19 14.741 6.018 2.082
111 HA TRP 19 HA TRP 19 14.605 3.418 3.198
112 HB2 TRP 19 HB2 TRP 19 16.792 5.010 1.956
113 HB3 TRP 19 HB1 TRP 19 17.233 3.644 2.992
114 HD1 TRP 19 HD1 TRP 19 15.187 4.398 -0.191
115 HE1 TRP 19 HE1 TRP 19 14.881 2.189 -1.472
116 HE3 TRP 19 3HE TRP 19 17.417 1.168 3.118
117 HZ2 TRP 19 HZ2 TRP 19 15.473 -0.494 -1.113
118 HZ3 TRP 19 HZ3 TRP 19 17.487 -1.202 2.551
119 HH2 TRP 19 2HH TRP 19 16.547 -2.026 0.471
120 HA PRO 20 HA PRO 20 15.971 1.986 3.966
121 HB2 PRO 20 HB2 PRO 20 16.561 0.426 5.984
122 HB3 PRO 20 HB1 PRO 20 17.717 1.688 5.532
123 HG2 PRO 20 HG2 PRO 20 15.802 1.614 7.827
124 HG3 PRO 20 HG1 PRO 20 17.444 2.280 7.764
125 HD2 PRO 20 HD2 PRO 20 15.005 3.707 7.474
126 HD3 PRO 20 HD1 PRO 20 16.638 4.330 7.168
127 H LEU 21 HN LEU 21 13.362 3.103 5.093
128 HA LEU 21 HA LEU 21 11.900 0.754 5.806
129 HB2 LEU 21 HB2 LEU 21 11.129 3.354 4.568
130 HB3 LEU 21 HB1 LEU 21 9.932 2.172 5.094
131 HG LEU 21 HG LEU 21 11.874 3.667 6.873
132 HD11 LEU 21 HD11 LEU 21 10.159 5.115 5.952
133 HD12 LEU 21 HD12 LEU 21 9.874 4.821 7.670
134 HD13 LEU 21 HD13 LEU 21 8.907 3.978 6.457
135 HD21 LEU 21 HD21 LEU 21 9.599 1.810 7.538
136 HD22 LEU 21 HD22 LEU 21 10.535 2.744 8.703
137 HD23 LEU 21 HD23 LEU 21 11.316 1.465 7.768
138 H GLY 22 HN GLY 22 12.277 2.705 2.901
139 HA2 GLY 22 HA2 GLY 22 12.322 2.228 0.689
140 HA3 GLY 22 HA1 GLY 22 12.846 0.619 1.147
141 H HIS 23 HN HIS 23 11.613 -0.930 0.536
142 HA HIS 23 HA HIS 23 8.927 -0.316 -0.394
143 HB2 HIS 23 HB2 HIS 23 10.596 -2.826 -0.752
144 HB3 HIS 23 HB1 HIS 23 8.989 -2.589 -1.423
145 HD1 HIS 23 HD1 HIS 23 9.226 -2.173 -3.902
146 HD2 HIS 23 HD2 HIS 23 12.279 -0.399 -1.703
147 HE1 HIS 23 HE1 HIS 23 10.687 -0.940 -5.562
148 H GLN 24 HN GLN 24 8.217 -0.020 1.745
149 HA GLN 24 HA GLN 24 8.127 -2.153 3.653
150 HB2 GLN 24 HB2 GLN 24 6.448 0.341 3.381
151 HB3 GLN 24 HB1 GLN 24 6.265 -0.803 4.699
152 HG2 GLN 24 HG2 GLN 24 8.819 0.635 4.065
153 HG3 GLN 24 HG1 GLN 24 7.629 1.200 5.240
154 HE21 GLN 24 1HE2 GLN 24 7.354 0.044 7.142
155 HE22 GLN 24 2HE2 GLN 24 8.534 -1.069 7.720
156 H CYS 25 HN CYS 25 5.996 -0.935 1.221
157 HA CYS 25 HA CYS 25 4.252 -1.736 0.109
158 HB2 CYS 25 HB2 CYS 25 5.106 -4.424 1.184
159 HB3 CYS 25 HB1 CYS 25 3.996 -4.171 -0.163
160 H PHE 26 HN PHE 26 2.075 -3.014 0.374
161 HA PHE 26 HA PHE 26 1.132 -2.329 3.031
162 HB2 PHE 26 HB2 PHE 26 -0.337 -2.920 0.450
163 HB3 PHE 26 HB1 PHE 26 -1.140 -2.649 1.991
164 HD1 PHE 26 HD1 PHE 26 0.325 -1.132 -0.897
165 HD2 PHE 26 HD2 PHE 26 -0.827 -0.454 3.127
166 HE1 PHE 26 HE1 PHE 26 0.345 1.291 -1.312
167 HE2 PHE 26 HE2 PHE 26 -0.814 1.979 2.732
168 HZ PHE 26 HZ PHE 26 -0.229 2.852 0.509
169 HA PRO 27 HA PRO 27 0.913 -6.562 4.350
170 HB2 PRO 27 HB2 PRO 27 -1.845 -5.765 5.199
171 HB3 PRO 27 HB1 PRO 27 -0.607 -6.635 6.126
172 HG2 PRO 27 HG2 PRO 27 -1.026 -4.084 6.619
173 HG3 PRO 27 HG1 PRO 27 0.637 -4.685 6.498
174 HD2 PRO 27 HD2 PRO 27 -0.959 -3.120 4.517
175 HD3 PRO 27 HD1 PRO 27 0.762 -2.995 4.943
176 H ASP 28 HN ASP 28 -1.983 -5.191 2.891
177 HA ASP 28 HA ASP 28 -2.044 -7.366 1.028
178 HB2 ASP 28 HB2 ASP 28 -4.529 -7.765 1.358
179 HB3 ASP 28 HB1 ASP 28 -3.500 -8.354 2.651
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 -5.279 -4.539 1.611
2 HA2 GLY 1 HA2 GLY 1 -4.531 -3.383 -0.837
3 HA3 GLY 1 HA1 GLY 1 -5.665 -4.701 -1.130
4 H PHE 2 HN PHE 2 -5.197 -1.645 0.496
5 HA PHE 2 HA PHE 2 -7.781 -1.566 1.623
6 HB2 PHE 2 HB2 PHE 2 -7.342 0.792 2.150
7 HB3 PHE 2 HB1 PHE 2 -6.014 -0.242 2.634
8 HD1 PHE 2 HD1 PHE 2 -7.098 2.448 0.418
9 HD2 PHE 2 HD2 PHE 2 -3.840 -0.062 1.510
10 HE1 PHE 2 HE1 PHE 2 -5.544 3.956 -0.743
11 HE2 PHE 2 HE2 PHE 2 -2.287 1.439 0.349
12 HZ PHE 2 HZ PHE 2 -3.136 3.454 -0.781
13 H CYS 3 HN CYS 3 -9.485 -0.163 1.152
14 HA CYS 3 HA CYS 3 -9.753 0.338 -1.717
15 HB2 CYS 3 HB2 CYS 3 -11.910 -0.171 0.344
16 HB3 CYS 3 HB1 CYS 3 -12.150 0.037 -1.388
17 H TRP 4 HN TRP 4 -10.462 2.312 -2.371
18 HA TRP 4 HA TRP 4 -10.311 4.410 -0.379
19 HB2 TRP 4 HB2 TRP 4 -10.677 4.530 -3.377
20 HB3 TRP 4 HB1 TRP 4 -10.587 5.949 -2.343
21 HD1 TRP 4 HD1 TRP 4 -8.141 6.137 -0.942
22 HE1 TRP 4 HE1 TRP 4 -5.789 5.688 -1.861
23 HE3 TRP 4 3HE TRP 4 -9.373 3.221 -4.937
24 HZ2 TRP 4 HZ2 TRP 4 -4.600 4.295 -4.005
25 HZ3 TRP 4 HZ3 TRP 4 -7.573 2.371 -6.386
26 HH2 TRP 4 2HH TRP 4 -5.234 2.897 -5.926
27 H HIS 5 HN HIS 5 -12.551 4.219 -3.091
28 HA HIS 5 HA HIS 5 -14.748 4.431 -1.163
29 HB2 HIS 5 HB2 HIS 5 -14.620 5.659 -3.951
30 HB3 HIS 5 HB1 HIS 5 -16.031 5.677 -2.906
31 HD1 HIS 5 HD1 HIS 5 -14.270 8.224 -3.998
32 HD2 HIS 5 HD2 HIS 5 -14.360 6.605 -0.173
33 HE1 HIS 5 HE1 HIS 5 -13.590 10.074 -2.438
34 H HIS 6 HN HIS 6 -14.379 3.695 -4.620
35 HA HIS 6 HA HIS 6 -15.831 1.184 -4.095
36 HB2 HIS 6 HB2 HIS 6 -15.595 2.708 -6.719
37 HB3 HIS 6 HB1 HIS 6 -16.403 1.170 -6.514
38 HD1 HIS 6 HD1 HIS 6 -18.897 1.354 -6.196
39 HD2 HIS 6 HD2 HIS 6 -16.894 4.812 -5.050
40 HE1 HIS 6 HE1 HIS 6 -20.672 3.021 -5.593
41 H SER 7 HN SER 7 -12.985 2.660 -5.449
42 HA SER 7 HA SER 7 -12.054 0.265 -6.681
43 HB2 SER 7 HB2 SER 7 -10.804 2.976 -6.254
44 HB3 SER 7 HB1 SER 7 -10.105 1.694 -7.251
45 HG SER 7 HG SER 7 -11.906 1.773 -8.538
46 H CYS 8 HN CYS 8 -10.597 -1.134 -5.915
47 HA CYS 8 HA CYS 8 -9.459 -0.639 -3.260
48 HB2 CYS 8 HB2 CYS 8 -10.326 -3.269 -4.472
49 HB3 CYS 8 HB1 CYS 8 -9.514 -3.083 -2.922
50 H VAL 9 HN VAL 9 -7.352 -0.855 -3.016
51 HA VAL 9 HA VAL 9 -5.648 -0.931 -5.263
52 HB VAL 9 HB VAL 9 -4.963 -1.300 -2.321
53 HG11 VAL 9 HG11 VAL 9 -3.208 -0.461 -4.624
54 HG12 VAL 9 HG12 VAL 9 -3.118 -1.985 -3.739
55 HG13 VAL 9 3HG1 VAL 9 -2.734 -0.466 -2.927
56 HG21 VAL 9 HG21 VAL 9 -6.159 0.773 -2.686
57 HG22 VAL 9 HG22 VAL 9 -5.043 1.210 -3.979
58 HG23 VAL 9 HG23 VAL 9 -4.467 1.093 -2.316
59 HA PRO 10 HA PRO 10 -5.288 -5.380 -5.892
60 HB2 PRO 10 HB2 PRO 10 -2.529 -4.572 -6.705
61 HB3 PRO 10 HB1 PRO 10 -3.692 -5.588 -7.558
62 HG2 PRO 10 HG2 PRO 10 -3.290 -3.111 -8.353
63 HG3 PRO 10 HG1 PRO 10 -4.932 -3.778 -8.309
64 HD2 PRO 10 HD2 PRO 10 -3.610 -1.875 -6.431
65 HD3 PRO 10 HD1 PRO 10 -5.288 -1.915 -7.020
66 H SER 11 HN SER 11 -4.092 -7.141 -5.066
67 HA SER 11 HA SER 11 -3.437 -7.014 -2.398
68 HB2 SER 11 HB2 SER 11 -2.606 -9.078 -4.438
69 HB3 SER 11 HB1 SER 11 -2.736 -9.319 -2.695
70 HG SER 11 HG SER 11 -4.682 -9.910 -3.183
71 H GLY 12 HN GLY 12 -1.775 -6.081 -1.483
72 HA2 GLY 12 HA2 GLY 12 0.635 -6.288 -1.008
73 HA3 GLY 12 HA1 GLY 12 0.893 -6.233 -2.754
74 H THR 13 HN THR 13 -0.016 -4.398 0.062
75 HA THR 13 HA THR 13 -0.199 -1.970 -1.504
76 HB THR 13 HB THR 13 -0.851 -1.037 0.809
77 HG1 THR 13 HG1 THR 13 -0.072 -3.213 1.710
78 HG21 THR 13 HG21 THR 13 -3.153 -1.889 0.527
79 HG22 THR 13 HG22 THR 13 -2.531 -3.091 -0.611
80 HG23 THR 13 HG23 THR 13 -2.437 -1.373 -1.000
81 H CYS 14 HN CYS 14 1.371 -0.570 -1.616
82 HA CYS 14 HA CYS 14 3.539 -0.649 0.371
83 HB2 CYS 14 HB2 CYS 14 3.680 0.060 -2.562
84 HB3 CYS 14 HB1 CYS 14 4.996 0.243 -1.407
85 H ALA 15 HN ALA 15 3.607 1.146 1.569
86 HA ALA 15 HA ALA 15 2.447 3.581 0.425
87 HB1 ALA 15 HB1 ALA 15 1.659 2.991 2.696
88 HB2 ALA 15 HB2 ALA 15 2.583 4.494 2.715
89 HB3 ALA 15 HB3 ALA 15 3.331 2.996 3.262
90 H ASP 16 HN ASP 16 3.758 5.475 0.386
91 HA ASP 16 HA ASP 16 6.355 4.871 -0.524
92 HB2 ASP 16 HB2 ASP 16 5.096 7.552 0.015
93 HB3 ASP 16 HB1 ASP 16 6.690 7.344 -0.702
94 H PHE 17 HN PHE 17 7.636 4.046 0.796
95 HA PHE 17 HA PHE 17 8.403 5.460 3.205
96 HB2 PHE 17 HB2 PHE 17 8.010 2.672 2.426
97 HB3 PHE 17 HB1 PHE 17 9.437 2.874 3.378
98 HD1 PHE 17 HD1 PHE 17 5.951 4.268 3.368
99 HD2 PHE 17 HD2 PHE 17 9.082 2.532 5.604
100 HE1 PHE 17 HE1 PHE 17 4.625 4.574 5.377
101 HE2 PHE 17 HE2 PHE 17 7.759 2.820 7.682
102 HZ PHE 17 HZ PHE 17 5.521 3.843 7.572
103 HA PRO 18 HA PRO 18 12.433 6.604 1.789
104 HB2 PRO 18 HB2 PRO 18 14.079 5.402 3.688
105 HB3 PRO 18 HB1 PRO 18 13.284 6.969 3.872
106 HG2 PRO 18 HG2 PRO 18 12.413 4.278 4.845
107 HG3 PRO 18 HG1 PRO 18 12.359 5.843 5.680
108 HD2 PRO 18 HD2 PRO 18 10.155 4.834 4.637
109 HD3 PRO 18 HD1 PRO 18 10.515 6.564 4.440
110 H TRP 19 HN TRP 19 14.413 5.846 0.864
111 HA TRP 19 HA TRP 19 13.926 3.861 -0.870
112 HB2 TRP 19 HB2 TRP 19 16.365 5.357 -0.216
113 HB3 TRP 19 HB1 TRP 19 16.564 3.896 -1.187
114 HD1 TRP 19 HD1 TRP 19 15.143 7.414 -1.360
115 HE1 TRP 19 HE1 TRP 19 14.417 7.879 -3.788
116 HE3 TRP 19 3HE TRP 19 15.745 2.736 -3.289
117 HZ2 TRP 19 HZ2 TRP 19 14.117 6.429 -6.172
118 HZ3 TRP 19 HZ3 TRP 19 15.220 2.353 -5.643
119 HH2 TRP 19 2HH TRP 19 14.423 4.168 -7.066
120 HA PRO 20 HA PRO 20 14.086 2.544 -2.164
121 HB2 PRO 20 HB2 PRO 20 13.302 0.126 -2.891
122 HB3 PRO 20 HB1 PRO 20 15.035 0.488 -2.843
123 HG2 PRO 20 HG2 PRO 20 13.343 -0.916 -0.802
124 HG3 PRO 20 HG1 PRO 20 14.915 -1.427 -1.460
125 HD2 PRO 20 HD2 PRO 20 14.616 -0.137 0.937
126 HD3 PRO 20 HD1 PRO 20 16.075 0.013 -0.063
127 H LEU 21 HN LEU 21 12.772 1.279 0.616
128 HA LEU 21 HA LEU 21 10.336 2.382 0.681
129 HB2 LEU 21 HB2 LEU 21 10.195 0.278 -1.228
130 HB3 LEU 21 HB1 LEU 21 9.940 -0.376 0.395
131 HG LEU 21 HG LEU 21 7.908 0.139 -0.979
132 HD11 LEU 21 HD11 LEU 21 7.708 -0.643 1.205
133 HD12 LEU 21 HD12 LEU 21 6.718 0.827 1.176
134 HD13 LEU 21 HD13 LEU 21 8.343 0.834 1.888
135 HD21 LEU 21 HD21 LEU 21 8.435 2.406 -1.600
136 HD22 LEU 21 HD22 LEU 21 8.549 2.861 0.097
137 HD23 LEU 21 HD23 LEU 21 6.993 2.394 -0.575
138 H GLY 22 HN GLY 22 11.151 2.475 2.655
139 HA2 GLY 22 HA2 GLY 22 12.193 0.543 4.354
140 HA3 GLY 22 HA1 GLY 22 11.254 1.902 4.929
141 H HIS 23 HN HIS 23 10.675 -1.192 3.372
142 HA HIS 23 HA HIS 23 9.412 -2.924 3.779
143 HB2 HIS 23 HB2 HIS 23 9.899 -2.183 6.640
144 HB3 HIS 23 HB1 HIS 23 9.147 -3.695 6.136
145 HD1 HIS 23 HD1 HIS 23 12.304 -2.571 7.167
146 HD2 HIS 23 HD2 HIS 23 10.984 -4.931 4.018
147 HE1 HIS 23 HE1 HIS 23 14.316 -3.861 6.369
148 H GLN 24 HN GLN 24 7.809 -0.205 3.779
149 HA GLN 24 HA GLN 24 5.527 -1.121 5.237
150 HB2 GLN 24 HB2 GLN 24 6.193 1.270 5.040
151 HB3 GLN 24 HB1 GLN 24 5.670 1.223 3.370
152 HG2 GLN 24 HG2 GLN 24 4.094 2.242 4.949
153 HG3 GLN 24 HG1 GLN 24 3.394 0.948 3.995
154 HE21 GLN 24 1HE2 GLN 24 5.493 0.602 6.832
155 HE22 GLN 24 2HE2 GLN 24 4.316 -0.053 7.886
156 H CYS 25 HN CYS 25 6.664 -2.125 2.390
157 HA CYS 25 HA CYS 25 4.110 -2.536 1.093
158 HB2 CYS 25 HB2 CYS 25 6.711 -4.035 0.663
159 HB3 CYS 25 HB1 CYS 25 5.251 -4.282 -0.263
160 H PHE 26 HN PHE 26 2.643 -3.506 2.232
161 HA PHE 26 HA PHE 26 3.352 -6.077 3.448
162 HB2 PHE 26 HB2 PHE 26 1.806 -5.656 5.318
163 HB3 PHE 26 HB1 PHE 26 3.024 -4.398 5.231
164 HD1 PHE 26 HD1 PHE 26 -0.456 -5.156 5.325
165 HD2 PHE 26 HD2 PHE 26 2.346 -2.176 4.185
166 HE1 PHE 26 HE1 PHE 26 -2.239 -3.468 5.355
167 HE2 PHE 26 HE2 PHE 26 0.571 -0.487 4.209
168 HZ PHE 26 HZ PHE 26 -1.724 -1.132 4.795
169 HA PRO 27 HA PRO 27 0.091 -7.743 1.053
170 HB2 PRO 27 HB2 PRO 27 -0.652 -9.771 2.928
171 HB3 PRO 27 HB1 PRO 27 0.391 -9.931 1.516
172 HG2 PRO 27 HG2 PRO 27 1.235 -10.143 4.144
173 HG3 PRO 27 HG1 PRO 27 2.282 -9.785 2.768
174 HD2 PRO 27 HD2 PRO 27 1.144 -7.953 4.815
175 HD3 PRO 27 HD1 PRO 27 2.710 -7.890 3.981
176 H ASP 28 HN ASP 28 -1.556 -6.338 0.940
177 HA ASP 28 HA ASP 28 -4.001 -6.969 2.178
178 HB2 ASP 28 HB2 ASP 28 -2.751 -5.583 4.002
179 HB3 ASP 28 HB1 ASP 28 -2.890 -4.226 2.899
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 -3.995 -3.520 0.573
2 HA2 GLY 1 HA2 GLY 1 -5.234 -3.688 -1.420
3 HA3 GLY 1 HA1 GLY 1 -5.918 -5.199 -0.835
4 H PHE 2 HN PHE 2 -5.788 -2.016 0.671
5 HA PHE 2 HA PHE 2 -8.379 -2.112 1.612
6 HB2 PHE 2 HB2 PHE 2 -8.111 0.306 2.135
7 HB3 PHE 2 HB1 PHE 2 -6.802 -0.707 2.710
8 HD1 PHE 2 HD1 PHE 2 -7.723 2.100 0.641
9 HD2 PHE 2 HD2 PHE 2 -4.596 -0.630 1.556
10 HE1 PHE 2 HE1 PHE 2 -6.084 3.627 -0.377
11 HE2 PHE 2 HE2 PHE 2 -2.961 0.895 0.533
12 HZ PHE 2 HZ PHE 2 -3.708 3.027 -0.428
13 H CYS 3 HN CYS 3 -10.252 -1.116 1.072
14 HA CYS 3 HA CYS 3 -10.431 0.067 -1.574
15 HB2 CYS 3 HB2 CYS 3 -11.016 -2.323 -1.817
16 HB3 CYS 3 HB1 CYS 3 -12.196 -2.167 -0.522
17 H TRP 4 HN TRP 4 -12.356 1.374 -1.782
18 HA TRP 4 HA TRP 4 -13.392 2.122 0.840
19 HB2 TRP 4 HB2 TRP 4 -13.200 3.849 -1.639
20 HB3 TRP 4 HB1 TRP 4 -13.821 4.361 -0.070
21 HD1 TRP 4 HD1 TRP 4 -11.949 4.503 1.919
22 HE1 TRP 4 HE1 TRP 4 -9.450 5.079 1.764
23 HE3 TRP 4 3HE TRP 4 -11.221 3.653 -3.057
24 HZ2 TRP 4 HZ2 TRP 4 -7.447 5.174 -0.192
25 HZ3 TRP 4 HZ3 TRP 4 -8.979 4.010 -3.998
26 HH2 TRP 4 2HH TRP 4 -7.129 4.752 -2.591
27 H HIS 5 HN HIS 5 -14.668 3.028 -2.300
28 HA HIS 5 HA HIS 5 -17.003 1.383 -1.702
29 HB2 HIS 5 HB2 HIS 5 -17.002 4.231 -2.753
30 HB3 HIS 5 HB1 HIS 5 -18.425 3.204 -2.709
31 HD1 HIS 5 HD1 HIS 5 -19.677 3.054 -0.454
32 HD2 HIS 5 HD2 HIS 5 -16.048 5.070 -0.200
33 HE1 HIS 5 HE1 HIS 5 -19.607 4.089 1.838
34 H HIS 6 HN HIS 6 -15.812 3.431 -4.288
35 HA HIS 6 HA HIS 6 -16.688 1.516 -6.287
36 HB2 HIS 6 HB2 HIS 6 -17.247 3.874 -6.584
37 HB3 HIS 6 HB1 HIS 6 -15.554 4.317 -6.483
38 HD1 HIS 6 HD1 HIS 6 -18.071 2.783 -8.833
39 HD2 HIS 6 HD2 HIS 6 -14.119 4.057 -8.830
40 HE1 HIS 6 HE1 HIS 6 -17.362 2.870 -11.251
41 H SER 7 HN SER 7 -13.739 3.069 -5.154
42 HA SER 7 HA SER 7 -12.195 1.454 -7.012
43 HB2 SER 7 HB2 SER 7 -11.399 3.866 -5.378
44 HB3 SER 7 HB1 SER 7 -10.397 3.050 -6.584
45 HG SER 7 HG SER 7 -12.161 3.480 -8.069
46 H CYS 8 HN CYS 8 -10.903 -0.129 -6.353
47 HA CYS 8 HA CYS 8 -10.312 -0.386 -3.501
48 HB2 CYS 8 HB2 CYS 8 -10.665 -2.610 -5.534
49 HB3 CYS 8 HB1 CYS 8 -10.280 -2.823 -3.838
50 H VAL 9 HN VAL 9 -8.146 -0.746 -3.040
51 HA VAL 9 HA VAL 9 -6.310 -0.467 -5.270
52 HB VAL 9 HB VAL 9 -5.825 -0.444 -2.256
53 HG11 VAL 9 HG11 VAL 9 -3.965 0.372 -4.493
54 HG12 VAL 9 HG12 VAL 9 -3.814 -1.084 -3.512
55 HG13 VAL 9 3HG1 VAL 9 -3.634 0.505 -2.765
56 HG21 VAL 9 HG21 VAL 9 -7.194 1.431 -2.951
57 HG22 VAL 9 HG22 VAL 9 -6.028 1.837 -4.209
58 HG23 VAL 9 HG23 VAL 9 -5.577 1.984 -2.510
59 HA PRO 10 HA PRO 10 -5.736 -4.876 -5.383
60 HB2 PRO 10 HB2 PRO 10 -3.139 -4.911 -6.318
61 HB3 PRO 10 HB1 PRO 10 -4.570 -4.739 -7.335
62 HG2 PRO 10 HG2 PRO 10 -2.739 -2.626 -6.279
63 HG3 PRO 10 HG1 PRO 10 -3.477 -2.763 -7.884
64 HD2 PRO 10 HD2 PRO 10 -4.437 -1.078 -6.061
65 HD3 PRO 10 HD1 PRO 10 -5.530 -1.973 -7.136
66 H SER 11 HN SER 11 -4.549 -6.584 -4.403
67 HA SER 11 HA SER 11 -3.678 -6.009 -1.798
68 HB2 SER 11 HB2 SER 11 -3.458 -8.539 -3.424
69 HB3 SER 11 HB1 SER 11 -3.260 -8.412 -1.674
70 HG SER 11 HG SER 11 -5.310 -8.248 -1.420
71 H GLY 12 HN GLY 12 -1.794 -5.468 -1.145
72 HA2 GLY 12 HA2 GLY 12 0.628 -5.845 -1.144
73 HA3 GLY 12 HA1 GLY 12 0.528 -5.863 -2.911
74 H THR 13 HN THR 13 0.239 -3.910 -0.073
75 HA THR 13 HA THR 13 0.124 -1.549 -1.779
76 HB THR 13 HB THR 13 -0.881 -0.427 0.257
77 HG1 THR 13 HG1 THR 13 -0.128 -2.440 1.552
78 HG21 THR 13 HG21 THR 13 -3.123 -1.384 -0.081
79 HG22 THR 13 HG22 THR 13 -2.402 -2.773 -0.894
80 HG23 THR 13 HG23 THR 13 -2.280 -1.169 -1.615
81 H CYS 14 HN CYS 14 2.000 -0.540 -1.841
82 HA CYS 14 HA CYS 14 3.533 -0.407 0.620
83 HB2 CYS 14 HB2 CYS 14 4.456 -2.186 -0.887
84 HB3 CYS 14 HB1 CYS 14 4.747 -0.929 -2.084
85 H ALA 15 HN ALA 15 4.055 1.576 1.069
86 HA ALA 15 HA ALA 15 3.711 3.705 -0.888
87 HB1 ALA 15 HB1 ALA 15 2.764 4.033 1.343
88 HB2 ALA 15 HB2 ALA 15 4.067 5.198 1.077
89 HB3 ALA 15 HB3 ALA 15 4.349 3.766 2.060
90 H ASP 16 HN ASP 16 5.452 5.264 -1.255
91 HA ASP 16 HA ASP 16 7.924 3.848 -1.530
92 HB2 ASP 16 HB2 ASP 16 8.715 5.809 -2.881
93 HB3 ASP 16 HB1 ASP 16 7.264 5.044 -3.497
94 H PHE 17 HN PHE 17 8.736 3.584 0.313
95 HA PHE 17 HA PHE 17 9.381 5.734 2.112
96 HB2 PHE 17 HB2 PHE 17 9.275 2.837 2.159
97 HB3 PHE 17 HB1 PHE 17 10.507 3.434 3.208
98 HD1 PHE 17 HD1 PHE 17 6.898 3.538 2.349
99 HD2 PHE 17 HD2 PHE 17 9.848 4.586 5.250
100 HE1 PHE 17 HE1 PHE 17 5.182 4.149 3.843
101 HE2 PHE 17 HE2 PHE 17 8.066 5.188 6.816
102 HZ PHE 17 HZ PHE 17 5.713 4.983 6.130
103 HA PRO 18 HA PRO 18 13.698 6.671 1.299
104 HB2 PRO 18 HB2 PRO 18 14.752 6.193 3.822
105 HB3 PRO 18 HB1 PRO 18 13.933 7.687 3.347
106 HG2 PRO 18 HG2 PRO 18 12.769 5.250 4.676
107 HG3 PRO 18 HG1 PRO 18 12.594 6.960 5.162
108 HD2 PRO 18 HD2 PRO 18 10.656 5.838 3.863
109 HD3 PRO 18 HD1 PRO 18 11.240 7.407 3.264
110 H TRP 19 HN TRP 19 15.806 5.714 1.218
111 HA TRP 19 HA TRP 19 15.684 3.237 0.146
112 HB2 TRP 19 HB2 TRP 19 17.963 4.988 0.822
113 HB3 TRP 19 HB1 TRP 19 18.297 3.304 0.408
114 HD1 TRP 19 HD1 TRP 19 16.913 6.525 -1.123
115 HE1 TRP 19 HE1 TRP 19 16.809 6.212 -3.671
116 HE3 TRP 19 3HE TRP 19 18.152 1.569 -1.392
117 HZ2 TRP 19 HZ2 TRP 19 17.179 4.131 -5.524
118 HZ3 TRP 19 HZ3 TRP 19 18.244 0.500 -3.593
119 HH2 TRP 19 2HH TRP 19 17.776 1.757 -5.622
120 HA PRO 20 HA PRO 20 16.357 1.585 -0.601
121 HB2 PRO 20 HB2 PRO 20 15.531 -0.939 -0.712
122 HB3 PRO 20 HB1 PRO 20 17.205 -0.602 -0.247
123 HG2 PRO 20 HG2 PRO 20 14.838 -1.184 1.502
124 HG3 PRO 20 HG1 PRO 20 16.460 -1.913 1.578
125 HD2 PRO 20 HD2 PRO 20 15.624 0.140 3.175
126 HD3 PRO 20 HD1 PRO 20 17.337 -0.067 2.714
127 H LEU 21 HN LEU 21 14.227 1.294 1.844
128 HA LEU 21 HA LEU 21 12.105 2.537 1.337
129 HB2 LEU 21 HB2 LEU 21 11.803 0.810 -0.784
130 HB3 LEU 21 HB1 LEU 21 11.347 -0.168 0.619
131 HG LEU 21 HG LEU 21 9.892 2.363 0.421
132 HD11 LEU 21 HD11 LEU 21 9.724 1.573 -1.857
133 HD12 LEU 21 HD12 LEU 21 8.211 1.407 -0.947
134 HD13 LEU 21 HD13 LEU 21 9.210 -0.024 -1.259
135 HD21 LEU 21 HD21 LEU 21 9.626 0.818 2.278
136 HD22 LEU 21 HD22 LEU 21 9.125 -0.451 1.164
137 HD23 LEU 21 HD23 LEU 21 8.121 0.993 1.374
138 H GLY 22 HN GLY 22 12.463 2.497 3.409
139 HA2 GLY 22 HA2 GLY 22 12.417 0.441 5.272
140 HA3 GLY 22 HA1 GLY 22 11.510 1.937 5.556
141 H HIS 23 HN HIS 23 11.314 -1.355 5.074
142 HA HIS 23 HA HIS 23 9.306 -1.725 3.313
143 HB2 HIS 23 HB2 HIS 23 10.192 -3.551 5.498
144 HB3 HIS 23 HB1 HIS 23 8.942 -3.992 4.338
145 HD1 HIS 23 HD1 HIS 23 12.639 -3.571 4.634
146 HD2 HIS 23 HD2 HIS 23 9.801 -4.194 1.668
147 HE1 HIS 23 HE1 HIS 23 13.909 -4.281 2.602
148 H GLN 24 HN GLN 24 7.795 -0.423 3.398
149 HA GLN 24 HA GLN 24 5.716 -0.630 5.400
150 HB2 GLN 24 HB2 GLN 24 6.294 1.551 4.566
151 HB3 GLN 24 HB1 GLN 24 6.126 1.014 2.909
152 HG2 GLN 24 HG2 GLN 24 4.315 2.451 3.673
153 HG3 GLN 24 HG1 GLN 24 3.773 0.887 3.114
154 HE21 GLN 24 1HE2 GLN 24 1.875 0.911 4.309
155 HE22 GLN 24 2HE2 GLN 24 1.834 0.853 6.036
156 H CYS 25 HN CYS 25 6.664 -2.083 2.516
157 HA CYS 25 HA CYS 25 4.286 -2.496 1.143
158 HB2 CYS 25 HB2 CYS 25 6.590 -4.440 1.216
159 HB3 CYS 25 HB1 CYS 25 5.454 -4.168 -0.090
160 H PHE 26 HN PHE 26 2.507 -3.522 1.976
161 HA PHE 26 HA PHE 26 2.906 -6.190 2.925
162 HB2 PHE 26 HB2 PHE 26 1.591 -6.005 4.946
163 HB3 PHE 26 HB1 PHE 26 2.855 -4.796 5.015
164 HD1 PHE 26 HD1 PHE 26 -0.491 -5.464 5.592
165 HD2 PHE 26 HD2 PHE 26 2.053 -2.393 4.140
166 HE1 PHE 26 HE1 PHE 26 -2.195 -3.800 6.159
167 HE2 PHE 26 HE2 PHE 26 0.356 -0.716 4.698
168 HZ PHE 26 HZ PHE 26 -1.778 -1.418 5.717
169 HA PRO 27 HA PRO 27 -0.617 -6.655 0.340
170 HB2 PRO 27 HB2 PRO 27 -1.375 -9.120 1.555
171 HB3 PRO 27 HB1 PRO 27 -0.591 -8.855 -0.006
172 HG2 PRO 27 HG2 PRO 27 0.668 -10.048 2.128
173 HG3 PRO 27 HG1 PRO 27 1.526 -9.148 0.867
174 HD2 PRO 27 HD2 PRO 27 0.713 -8.267 3.610
175 HD3 PRO 27 HD1 PRO 27 2.221 -7.958 2.717
176 H ASP 28 HN ASP 28 -1.743 -5.008 1.371
177 HA ASP 28 HA ASP 28 -3.844 -5.897 3.196
178 HB2 ASP 28 HB2 ASP 28 -2.628 -3.819 3.763
179 HB3 ASP 28 HB1 ASP 28 -3.211 -3.087 2.274
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 -5.857 -4.088 2.363
2 HA2 GLY 1 HA2 GLY 1 -6.309 -4.265 -0.462
3 HA3 GLY 1 HA1 GLY 1 -7.249 -5.422 0.481
4 H PHE 2 HN PHE 2 -6.243 -2.143 1.217
5 HA PHE 2 HA PHE 2 -8.726 -1.428 2.304
6 HB2 PHE 2 HB2 PHE 2 -7.820 0.894 2.399
7 HB3 PHE 2 HB1 PHE 2 -6.773 -0.310 3.122
8 HD1 PHE 2 HD1 PHE 2 -7.215 1.931 0.206
9 HD2 PHE 2 HD2 PHE 2 -4.547 -0.670 2.286
10 HE1 PHE 2 HE1 PHE 2 -5.336 2.792 -1.110
11 HE2 PHE 2 HE2 PHE 2 -2.684 0.188 0.974
12 HZ PHE 2 HZ PHE 2 -3.067 1.926 -0.734
13 H CYS 3 HN CYS 3 -10.178 0.204 1.625
14 HA CYS 3 HA CYS 3 -10.332 0.485 -1.289
15 HB2 CYS 3 HB2 CYS 3 -12.671 0.162 0.605
16 HB3 CYS 3 HB1 CYS 3 -12.728 0.212 -1.156
17 H TRP 4 HN TRP 4 -10.893 2.497 -1.997
18 HA TRP 4 HA TRP 4 -10.547 4.597 -0.062
19 HB2 TRP 4 HB2 TRP 4 -11.030 4.704 -3.043
20 HB3 TRP 4 HB1 TRP 4 -10.735 6.123 -2.041
21 HD1 TRP 4 HD1 TRP 4 -8.260 6.537 -1.246
22 HE1 TRP 4 HE1 TRP 4 -5.997 5.586 -2.013
23 HE3 TRP 4 3HE TRP 4 -9.924 2.530 -3.918
24 HZ2 TRP 4 HZ2 TRP 4 -5.042 3.428 -3.543
25 HZ3 TRP 4 HZ3 TRP 4 -8.278 1.073 -4.998
26 HH2 TRP 4 2HH TRP 4 -5.890 1.512 -4.818
27 H HIS 5 HN HIS 5 -12.944 4.481 -2.636
28 HA HIS 5 HA HIS 5 -14.989 5.090 -0.604
29 HB2 HIS 5 HB2 HIS 5 -14.854 6.144 -3.443
30 HB3 HIS 5 HB1 HIS 5 -16.218 6.363 -2.357
31 HD1 HIS 5 HD1 HIS 5 -14.323 8.658 -3.641
32 HD2 HIS 5 HD2 HIS 5 -14.296 7.232 0.253
33 HE1 HIS 5 HE1 HIS 5 -13.340 10.494 -2.238
34 H HIS 6 HN HIS 6 -14.309 3.598 -3.684
35 HA HIS 6 HA HIS 6 -16.347 1.604 -3.130
36 HB2 HIS 6 HB2 HIS 6 -17.340 1.770 -5.388
37 HB3 HIS 6 HB1 HIS 6 -17.590 3.239 -4.456
38 HD1 HIS 6 HD1 HIS 6 -16.360 2.011 -7.625
39 HD2 HIS 6 HD2 HIS 6 -15.847 5.400 -5.316
40 HE1 HIS 6 HE1 HIS 6 -15.346 3.754 -9.162
41 H SER 7 HN SER 7 -13.601 2.648 -5.060
42 HA SER 7 HA SER 7 -13.121 0.028 -6.097
43 HB2 SER 7 HB2 SER 7 -11.358 2.484 -6.075
44 HB3 SER 7 HB1 SER 7 -11.198 1.070 -7.118
45 HG SER 7 HG SER 7 -13.426 1.646 -7.816
46 H CYS 8 HN CYS 8 -11.494 -1.359 -5.389
47 HA CYS 8 HA CYS 8 -10.261 -0.663 -2.840
48 HB2 CYS 8 HB2 CYS 8 -11.105 -3.362 -3.894
49 HB3 CYS 8 HB1 CYS 8 -10.258 -3.085 -2.374
50 H VAL 9 HN VAL 9 -8.128 -1.173 -2.543
51 HA VAL 9 HA VAL 9 -6.526 -1.154 -4.910
52 HB VAL 9 HB VAL 9 -6.029 0.009 -2.674
53 HG11 VAL 9 HG11 VAL 9 -6.451 -1.760 -1.144
54 HG12 VAL 9 HG12 VAL 9 -4.783 -1.212 -0.978
55 HG13 VAL 9 3HG1 VAL 9 -5.137 -2.717 -1.829
56 HG21 VAL 9 HG21 VAL 9 -3.620 -0.235 -2.795
57 HG22 VAL 9 HG22 VAL 9 -4.332 -0.074 -4.407
58 HG23 VAL 9 HG23 VAL 9 -3.804 -1.659 -3.817
59 HA PRO 10 HA PRO 10 -6.145 -5.606 -5.473
60 HB2 PRO 10 HB2 PRO 10 -3.286 -5.029 -6.061
61 HB3 PRO 10 HB1 PRO 10 -4.473 -5.905 -7.026
62 HG2 PRO 10 HG2 PRO 10 -3.691 -3.416 -7.668
63 HG3 PRO 10 HG1 PRO 10 -5.337 -3.985 -7.964
64 HD2 PRO 10 HD2 PRO 10 -4.326 -2.111 -5.901
65 HD3 PRO 10 HD1 PRO 10 -5.919 -2.202 -6.676
66 H SER 11 HN SER 11 -5.317 -7.359 -4.294
67 HA SER 11 HA SER 11 -4.522 -6.791 -1.646
68 HB2 SER 11 HB2 SER 11 -4.441 -9.437 -3.124
69 HB3 SER 11 HB1 SER 11 -4.421 -9.220 -1.372
70 HG SER 11 HG SER 11 -6.472 -8.105 -2.913
71 H GLY 12 HN GLY 12 -2.647 -6.204 -1.027
72 HA2 GLY 12 HA2 GLY 12 -0.245 -6.567 -0.752
73 HA3 GLY 12 HA1 GLY 12 -0.233 -7.239 -2.385
74 H THR 13 HN THR 13 -0.179 -4.387 -0.486
75 HA THR 13 HA THR 13 -0.366 -2.679 -2.837
76 HB THR 13 HB THR 13 -0.337 -1.915 0.056
77 HG1 THR 13 HG1 THR 13 -2.382 -2.980 -1.573
78 HG21 THR 13 HG21 THR 13 -1.418 -0.559 -2.426
79 HG22 THR 13 HG22 THR 13 0.033 -0.091 -1.536
80 HG23 THR 13 HG23 THR 13 -1.558 0.072 -0.787
81 H CYS 14 HN CYS 14 1.547 -2.292 -3.673
82 HA CYS 14 HA CYS 14 3.862 -2.214 -1.950
83 HB2 CYS 14 HB2 CYS 14 3.654 -2.249 -4.960
84 HB3 CYS 14 HB1 CYS 14 5.164 -2.200 -4.063
85 H ALA 15 HN ALA 15 5.014 -0.413 -1.542
86 HA ALA 15 HA ALA 15 4.455 2.030 -2.954
87 HB1 ALA 15 HB1 ALA 15 4.026 1.727 0.024
88 HB2 ALA 15 HB2 ALA 15 2.757 2.013 -1.171
89 HB3 ALA 15 HB3 ALA 15 3.982 3.247 -0.864
90 H ASP 16 HN ASP 16 6.143 3.474 -2.710
91 HA ASP 16 HA ASP 16 8.581 2.309 -1.611
92 HB2 ASP 16 HB2 ASP 16 8.758 3.057 -3.932
93 HB3 ASP 16 HB1 ASP 16 8.176 4.656 -3.488
94 H PHE 17 HN PHE 17 8.999 2.830 0.357
95 HA PHE 17 HA PHE 17 7.966 5.314 1.464
96 HB2 PHE 17 HB2 PHE 17 9.112 2.845 2.779
97 HB3 PHE 17 HB1 PHE 17 8.487 4.244 3.637
98 HD1 PHE 17 HD1 PHE 17 6.071 4.815 3.335
99 HD2 PHE 17 HD2 PHE 17 7.704 1.092 2.133
100 HE1 PHE 17 HE1 PHE 17 3.846 3.860 3.363
101 HE2 PHE 17 HE2 PHE 17 5.466 0.088 2.154
102 HZ PHE 17 HZ PHE 17 3.510 1.467 2.770
103 HA PRO 18 HA PRO 18 12.207 6.988 1.862
104 HB2 PRO 18 HB2 PRO 18 11.492 7.615 4.655
105 HB3 PRO 18 HB1 PRO 18 12.009 8.710 3.369
106 HG2 PRO 18 HG2 PRO 18 9.492 8.739 4.221
107 HG3 PRO 18 HG1 PRO 18 9.864 8.902 2.496
108 HD2 PRO 18 HD2 PRO 18 8.876 6.488 3.985
109 HD3 PRO 18 HD1 PRO 18 8.400 7.105 2.399
110 H TRP 19 HN TRP 19 14.107 6.465 2.752
111 HA TRP 19 HA TRP 19 14.445 3.896 3.798
112 HB2 TRP 19 HB2 TRP 19 16.474 4.473 2.923
113 HB3 TRP 19 HB1 TRP 19 16.070 6.176 2.980
114 HD1 TRP 19 HD1 TRP 19 16.696 7.459 5.196
115 HE1 TRP 19 HE1 TRP 19 18.631 7.067 6.917
116 HE3 TRP 19 3HE TRP 19 17.910 2.691 3.929
117 HZ2 TRP 19 HZ2 TRP 19 20.412 4.985 7.577
118 HZ3 TRP 19 HZ3 TRP 19 19.738 1.558 5.124
119 HH2 TRP 19 2HH TRP 19 20.965 2.683 6.910
120 HA PRO 20 HA PRO 20 15.882 2.867 5.212
121 HB2 PRO 20 HB2 PRO 20 15.679 1.269 7.481
122 HB3 PRO 20 HB1 PRO 20 16.996 2.389 7.126
123 HG2 PRO 20 HG2 PRO 20 15.069 2.610 9.214
124 HG3 PRO 20 HG1 PRO 20 16.299 3.797 8.760
125 HD2 PRO 20 HD2 PRO 20 13.415 3.687 8.063
126 HD3 PRO 20 HD1 PRO 20 14.477 5.097 8.250
127 H LEU 21 HN LEU 21 12.792 3.220 5.478
128 HA LEU 21 HA LEU 21 11.840 0.537 5.528
129 HB2 LEU 21 HB2 LEU 21 10.816 3.134 4.609
130 HB3 LEU 21 HB1 LEU 21 9.798 1.683 4.513
131 HG LEU 21 HG LEU 21 10.914 2.939 7.044
132 HD11 LEU 21 HD11 LEU 21 8.125 2.947 5.903
133 HD12 LEU 21 HD12 LEU 21 9.208 4.337 6.016
134 HD13 LEU 21 HD13 LEU 21 8.593 3.574 7.483
135 HD21 LEU 21 HD21 LEU 21 10.599 0.516 7.215
136 HD22 LEU 21 HD22 LEU 21 8.937 0.699 6.655
137 HD23 LEU 21 HD23 LEU 21 9.432 1.399 8.196
138 H GLY 22 HN GLY 22 11.904 2.949 2.911
139 HA2 GLY 22 HA2 GLY 22 12.509 2.706 0.710
140 HA3 GLY 22 HA1 GLY 22 13.113 1.093 1.086
141 H HIS 23 HN HIS 23 12.130 0.219 -0.767
142 HA HIS 23 HA HIS 23 9.256 0.384 -0.935
143 HB2 HIS 23 HB2 HIS 23 10.626 0.368 -3.018
144 HB3 HIS 23 HB1 HIS 23 11.193 -1.245 -2.601
145 HD1 HIS 23 HD1 HIS 23 10.009 -2.964 -4.002
146 HD2 HIS 23 HD2 HIS 23 7.577 0.269 -3.056
147 HE1 HIS 23 HE1 HIS 23 7.780 -3.434 -5.064
148 H GLN 24 HN GLN 24 8.741 -0.488 0.999
149 HA GLN 24 HA GLN 24 9.538 -3.140 1.746
150 HB2 GLN 24 HB2 GLN 24 7.330 -1.402 2.863
151 HB3 GLN 24 HB1 GLN 24 7.868 -2.902 3.580
152 HG2 GLN 24 HG2 GLN 24 9.682 -0.525 3.216
153 HG3 GLN 24 HG1 GLN 24 8.668 -0.730 4.631
154 HE21 GLN 24 1HE2 GLN 24 10.387 -3.461 3.066
155 HE22 GLN 24 2HE2 GLN 24 11.468 -3.671 4.367
156 H CYS 25 HN CYS 25 6.473 -1.706 0.732
157 HA CYS 25 HA CYS 25 4.571 -2.506 -0.157
158 HB2 CYS 25 HB2 CYS 25 6.007 -3.542 -1.940
159 HB3 CYS 25 HB1 CYS 25 6.169 -4.985 -0.949
160 H PHE 26 HN PHE 26 2.777 -3.322 0.809
161 HA PHE 26 HA PHE 26 3.269 -5.319 2.862
162 HB2 PHE 26 HB2 PHE 26 1.844 -4.067 4.463
163 HB3 PHE 26 HB1 PHE 26 3.267 -3.155 3.993
164 HD1 PHE 26 HD1 PHE 26 2.975 -1.297 2.260
165 HD2 PHE 26 HD2 PHE 26 -0.286 -3.196 4.216
166 HE1 PHE 26 HE1 PHE 26 1.529 0.604 1.682
167 HE2 PHE 26 HE2 PHE 26 -1.737 -1.320 3.643
168 HZ PHE 26 HZ PHE 26 -0.837 0.600 2.369
169 HA PRO 27 HA PRO 27 -0.390 -7.087 1.139
170 HB2 PRO 27 HB2 PRO 27 -0.979 -8.729 3.353
171 HB3 PRO 27 HB1 PRO 27 0.027 -9.153 1.969
172 HG2 PRO 27 HG2 PRO 27 0.915 -8.833 4.613
173 HG3 PRO 27 HG1 PRO 27 1.941 -8.896 3.172
174 HD2 PRO 27 HD2 PRO 27 0.972 -6.528 4.710
175 HD3 PRO 27 HD1 PRO 27 2.514 -6.776 3.863
176 H ASP 28 HN ASP 28 -2.033 -5.600 1.042
177 HA ASP 28 HA ASP 28 -3.946 -5.668 3.226
178 HB2 ASP 28 HB2 ASP 28 -2.289 -3.631 3.410
179 HB3 ASP 28 HB1 ASP 28 -3.227 -2.981 2.073
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 -4.411 -4.360 2.757
2 HA2 GLY 1 HA2 GLY 1 -4.316 -4.595 0.075
3 HA3 GLY 1 HA1 GLY 1 -5.903 -5.250 0.516
4 H PHE 2 HN PHE 2 -4.439 -2.401 -0.351
5 HA PHE 2 HA PHE 2 -5.982 -1.006 1.625
6 HB2 PHE 2 HB2 PHE 2 -4.778 1.060 1.126
7 HB3 PHE 2 HB1 PHE 2 -3.702 -0.241 1.573
8 HD1 PHE 2 HD1 PHE 2 -4.405 2.342 -0.734
9 HD2 PHE 2 HD2 PHE 2 -2.428 -1.429 -0.409
10 HE1 PHE 2 HE1 PHE 2 -3.001 2.894 -2.668
11 HE2 PHE 2 HE2 PHE 2 -1.049 -0.872 -2.326
12 HZ PHE 2 HZ PHE 2 -1.317 1.283 -3.463
13 H CYS 3 HN CYS 3 -7.704 0.030 1.367
14 HA CYS 3 HA CYS 3 -8.614 0.783 -1.286
15 HB2 CYS 3 HB2 CYS 3 -9.498 -1.496 -0.872
16 HB3 CYS 3 HB1 CYS 3 -10.170 -0.953 0.659
17 H TRP 4 HN TRP 4 -9.764 2.674 -1.190
18 HA TRP 4 HA TRP 4 -9.832 3.927 1.418
19 HB2 TRP 4 HB2 TRP 4 -10.443 5.086 -1.309
20 HB3 TRP 4 HB1 TRP 4 -10.387 6.008 0.192
21 HD1 TRP 4 HD1 TRP 4 -7.937 6.322 1.322
22 HE1 TRP 4 HE1 TRP 4 -5.600 6.297 0.287
23 HE3 TRP 4 3HE TRP 4 -9.061 4.047 -3.085
24 HZ2 TRP 4 HZ2 TRP 4 -4.379 5.413 -2.135
25 HZ3 TRP 4 HZ3 TRP 4 -7.264 3.643 -4.706
26 HH2 TRP 4 2HH TRP 4 -4.973 4.310 -4.232
27 H HIS 5 HN HIS 5 -12.256 4.427 -1.093
28 HA HIS 5 HA HIS 5 -14.219 3.661 0.950
29 HB2 HIS 5 HB2 HIS 5 -14.619 5.479 -1.452
30 HB3 HIS 5 HB1 HIS 5 -15.853 5.057 -0.278
31 HD1 HIS 5 HD1 HIS 5 -15.939 6.510 1.879
32 HD2 HIS 5 HD2 HIS 5 -12.550 7.154 -0.446
33 HE1 HIS 5 HE1 HIS 5 -14.825 8.531 2.826
34 H HIS 6 HN HIS 6 -14.106 3.845 -2.570
35 HA HIS 6 HA HIS 6 -15.023 1.061 -2.604
36 HB2 HIS 6 HB2 HIS 6 -15.890 3.298 -4.436
37 HB3 HIS 6 HB1 HIS 6 -16.175 1.600 -4.806
38 HD1 HIS 6 HD1 HIS 6 -17.683 4.441 -3.074
39 HD2 HIS 6 HD2 HIS 6 -17.840 0.300 -2.782
40 HE1 HIS 6 HE1 HIS 6 -19.761 3.912 -1.757
41 H SER 7 HN SER 7 -12.760 3.362 -3.756
42 HA SER 7 HA SER 7 -11.769 1.726 -5.872
43 HB2 SER 7 HB2 SER 7 -10.498 4.047 -4.448
44 HB3 SER 7 HB1 SER 7 -10.026 3.399 -6.019
45 HG SER 7 HG SER 7 -12.561 3.879 -6.215
46 H CYS 8 HN CYS 8 -10.958 -0.105 -5.270
47 HA CYS 8 HA CYS 8 -9.238 -0.252 -2.916
48 HB2 CYS 8 HB2 CYS 8 -10.655 -2.486 -4.386
49 HB3 CYS 8 HB1 CYS 8 -9.696 -2.660 -2.928
50 H VAL 9 HN VAL 9 -7.167 -0.930 -3.176
51 HA VAL 9 HA VAL 9 -6.334 -1.370 -5.923
52 HB VAL 9 HB VAL 9 -4.620 -0.663 -3.510
53 HG11 VAL 9 HG11 VAL 9 -4.071 -0.580 -6.465
54 HG12 VAL 9 HG12 VAL 9 -3.361 -1.697 -5.292
55 HG13 VAL 9 3HG1 VAL 9 -3.002 0.034 -5.212
56 HG21 VAL 9 HG21 VAL 9 -6.209 1.136 -3.941
57 HG22 VAL 9 HG22 VAL 9 -5.714 1.179 -5.634
58 HG23 VAL 9 HG23 VAL 9 -4.570 1.626 -4.369
59 HA PRO 10 HA PRO 10 -6.256 -5.669 -4.903
60 HB2 PRO 10 HB2 PRO 10 -4.547 -6.496 -6.875
61 HB3 PRO 10 HB1 PRO 10 -6.267 -6.158 -7.118
62 HG2 PRO 10 HG2 PRO 10 -3.895 -4.411 -7.640
63 HG3 PRO 10 HG1 PRO 10 -5.327 -4.675 -8.651
64 HD2 PRO 10 HD2 PRO 10 -5.095 -2.487 -7.172
65 HD3 PRO 10 HD1 PRO 10 -6.663 -3.308 -7.329
66 H SER 11 HN SER 11 -4.893 -7.438 -4.382
67 HA SER 11 HA SER 11 -2.731 -6.788 -2.685
68 HB2 SER 11 HB2 SER 11 -4.346 -8.685 -2.335
69 HB3 SER 11 HB1 SER 11 -3.625 -9.496 -3.721
70 HG SER 11 HG SER 11 -2.123 -10.177 -2.462
71 H GLY 12 HN GLY 12 -0.584 -6.984 -3.076
72 HA2 GLY 12 HA2 GLY 12 1.263 -7.874 -4.382
73 HA3 GLY 12 HA1 GLY 12 0.234 -7.736 -5.809
74 H THR 13 HN THR 13 -0.635 -5.170 -4.263
75 HA THR 13 HA THR 13 1.126 -3.408 -5.698
76 HB THR 13 HB THR 13 -1.087 -2.757 -3.784
77 HG1 THR 13 HG1 THR 13 -2.218 -3.708 -5.319
78 HG21 THR 13 HG21 THR 13 0.443 -0.910 -4.288
79 HG22 THR 13 HG22 THR 13 -1.157 -0.618 -4.927
80 HG23 THR 13 HG23 THR 13 0.147 -1.117 -6.022
81 H CYS 14 HN CYS 14 2.977 -2.837 -4.794
82 HA CYS 14 HA CYS 14 3.052 -2.770 -1.914
83 HB2 CYS 14 HB2 CYS 14 4.710 -4.265 -3.036
84 HB3 CYS 14 HB1 CYS 14 5.401 -2.848 -3.815
85 H ALA 15 HN ALA 15 3.207 -0.771 -0.943
86 HA ALA 15 HA ALA 15 3.308 1.544 -2.594
87 HB1 ALA 15 HB1 ALA 15 3.032 2.754 -0.472
88 HB2 ALA 15 HB2 ALA 15 3.263 1.246 0.413
89 HB3 ALA 15 HB3 ALA 15 1.852 1.453 -0.624
90 H ASP 16 HN ASP 16 4.996 2.754 -2.991
91 HA ASP 16 HA ASP 16 7.612 1.750 -2.242
92 HB2 ASP 16 HB2 ASP 16 6.838 3.975 -4.150
93 HB3 ASP 16 HB1 ASP 16 8.441 3.294 -3.950
94 H PHE 17 HN PHE 17 8.245 2.504 -0.268
95 HA PHE 17 HA PHE 17 7.908 5.375 0.238
96 HB2 PHE 17 HB2 PHE 17 8.141 3.069 2.175
97 HB3 PHE 17 HB1 PHE 17 8.250 4.749 2.666
98 HD1 PHE 17 HD1 PHE 17 6.229 6.220 1.780
99 HD2 PHE 17 HD2 PHE 17 6.142 2.025 2.407
100 HE1 PHE 17 HE1 PHE 17 3.805 6.327 2.039
101 HE2 PHE 17 HE2 PHE 17 3.699 2.109 2.668
102 HZ PHE 17 HZ PHE 17 2.523 4.263 2.486
103 HA PRO 18 HA PRO 18 12.389 5.741 0.351
104 HB2 PRO 18 HB2 PRO 18 12.671 7.672 2.222
105 HB3 PRO 18 HB1 PRO 18 12.092 8.036 0.594
106 HG2 PRO 18 HG2 PRO 18 10.541 7.708 3.129
107 HG3 PRO 18 HG1 PRO 18 10.331 8.904 1.836
108 HD2 PRO 18 HD2 PRO 18 8.765 6.714 2.086
109 HD3 PRO 18 HD1 PRO 18 9.127 7.431 0.513
110 H TRP 19 HN TRP 19 14.113 5.271 1.619
111 HA TRP 19 HA TRP 19 13.686 3.349 3.623
112 HB2 TRP 19 HB2 TRP 19 15.764 2.874 2.833
113 HB3 TRP 19 HB1 TRP 19 15.875 4.443 2.066
114 HD1 TRP 19 HD1 TRP 19 16.967 6.382 3.507
115 HE1 TRP 19 HE1 TRP 19 18.799 6.276 5.378
116 HE3 TRP 19 3HE TRP 19 16.635 1.444 4.676
117 HZ2 TRP 19 HZ2 TRP 19 19.900 4.337 7.069
118 HZ3 TRP 19 HZ3 TRP 19 18.108 0.524 6.416
119 HH2 TRP 19 2HH TRP 19 19.708 1.941 7.587
120 HA PRO 20 HA PRO 20 14.878 2.661 5.463
121 HB2 PRO 20 HB2 PRO 20 14.510 2.077 8.014
122 HB3 PRO 20 HB1 PRO 20 15.851 3.122 7.518
123 HG2 PRO 20 HG2 PRO 20 13.215 3.866 8.708
124 HG3 PRO 20 HG1 PRO 20 14.824 4.531 9.042
125 HD2 PRO 20 HD2 PRO 20 12.929 5.660 7.324
126 HD3 PRO 20 HD1 PRO 20 14.662 6.036 7.329
127 H LEU 21 HN LEU 21 11.968 3.946 5.375
128 HA LEU 21 HA LEU 21 10.313 1.843 6.322
129 HB2 LEU 21 HB2 LEU 21 10.055 3.956 4.300
130 HB3 LEU 21 HB1 LEU 21 8.659 2.937 4.701
131 HG LEU 21 HG LEU 21 10.096 4.947 6.473
132 HD11 LEU 21 HD11 LEU 21 7.303 4.920 5.344
133 HD12 LEU 21 HD12 LEU 21 8.627 5.966 4.830
134 HD13 LEU 21 HD13 LEU 21 7.954 6.128 6.451
135 HD21 LEU 21 HD21 LEU 21 8.382 4.438 8.156
136 HD22 LEU 21 HD22 LEU 21 9.391 3.036 7.813
137 HD23 LEU 21 HD23 LEU 21 7.766 3.142 7.131
138 H GLY 22 HN GLY 22 11.183 2.869 3.049
139 HA2 GLY 22 HA2 GLY 22 11.740 1.675 1.194
140 HA3 GLY 22 HA1 GLY 22 11.971 0.267 2.224
141 H HIS 23 HN HIS 23 10.880 -1.252 1.172
142 HA HIS 23 HA HIS 23 8.283 -0.617 0.102
143 HB2 HIS 23 HB2 HIS 23 9.895 -3.173 0.005
144 HB3 HIS 23 HB1 HIS 23 8.297 -2.988 -0.707
145 HD1 HIS 23 HD1 HIS 23 11.742 -2.815 -1.606
146 HD2 HIS 23 HD2 HIS 23 8.328 -0.711 -2.652
147 HE1 HIS 23 HE1 HIS 23 12.268 -1.681 -3.781
148 H GLN 24 HN GLN 24 7.132 -0.209 1.877
149 HA GLN 24 HA GLN 24 6.832 -2.178 3.964
150 HB2 GLN 24 HB2 GLN 24 5.227 0.306 3.338
151 HB3 GLN 24 HB1 GLN 24 4.932 -0.721 4.727
152 HG2 GLN 24 HG2 GLN 24 7.504 0.749 4.180
153 HG3 GLN 24 HG1 GLN 24 6.238 1.296 5.273
154 HE21 GLN 24 1HE2 GLN 24 5.696 -1.426 6.258
155 HE22 GLN 24 2HE2 GLN 24 7.019 -1.805 7.296
156 H CYS 25 HN CYS 25 5.380 -1.391 0.976
157 HA CYS 25 HA CYS 25 3.817 -2.306 -0.311
158 HB2 CYS 25 HB2 CYS 25 4.134 -4.701 1.504
159 HB3 CYS 25 HB1 CYS 25 3.296 -4.708 -0.045
160 H PHE 26 HN PHE 26 1.513 -3.514 -0.174
161 HA PHE 26 HA PHE 26 -0.161 -1.910 1.397
162 HB2 PHE 26 HB2 PHE 26 -1.946 -3.432 0.636
163 HB3 PHE 26 HB1 PHE 26 -0.867 -3.065 -0.707
164 HD1 PHE 26 HD1 PHE 26 0.814 -4.777 -1.402
165 HD2 PHE 26 HD2 PHE 26 -2.254 -5.633 1.377
166 HE1 PHE 26 HE1 PHE 26 1.191 -7.124 -1.751
167 HE2 PHE 26 HE2 PHE 26 -1.905 -8.013 1.048
168 HZ PHE 26 HZ PHE 26 -0.173 -8.798 -0.531
169 HA PRO 27 HA PRO 27 0.051 -4.357 5.162
170 HB2 PRO 27 HB2 PRO 27 -2.728 -3.681 5.808
171 HB3 PRO 27 HB1 PRO 27 -1.251 -3.150 6.613
172 HG2 PRO 27 HG2 PRO 27 -2.794 -1.466 5.141
173 HG3 PRO 27 HG1 PRO 27 -1.038 -1.276 5.296
174 HD2 PRO 27 HD2 PRO 27 -2.627 -2.469 3.049
175 HD3 PRO 27 HD1 PRO 27 -1.217 -1.385 2.992
176 H ASP 28 HN ASP 28 -3.324 -4.488 4.169
177 HA ASP 28 HA ASP 28 -3.058 -7.387 3.699
178 HB2 ASP 28 HB2 ASP 28 -5.345 -5.854 4.949
179 HB3 ASP 28 HB1 ASP 28 -5.501 -7.512 4.382
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 -4.071 -4.278 1.814
2 HA2 GLY 1 HA2 GLY 1 -3.102 -3.218 -0.564
3 HA3 GLY 1 HA1 GLY 1 -4.708 -3.894 -0.857
4 H PHE 2 HN PHE 2 -5.530 -1.750 -1.187
5 HA PHE 2 HA PHE 2 -6.473 -0.722 1.259
6 HB2 PHE 2 HB2 PHE 2 -5.791 1.643 0.907
7 HB3 PHE 2 HB1 PHE 2 -4.436 0.581 1.216
8 HD1 PHE 2 HD1 PHE 2 -3.090 -0.195 -0.847
9 HD2 PHE 2 HD2 PHE 2 -5.788 3.072 -0.867
10 HE1 PHE 2 HE1 PHE 2 -1.929 0.735 -2.799
11 HE2 PHE 2 HE2 PHE 2 -4.636 4.015 -2.838
12 HZ PHE 2 HZ PHE 2 -2.704 2.842 -3.803
13 H CYS 3 HN CYS 3 -8.456 -0.110 1.100
14 HA CYS 3 HA CYS 3 -9.548 0.639 -1.496
15 HB2 CYS 3 HB2 CYS 3 -10.702 -1.539 0.276
16 HB3 CYS 3 HB1 CYS 3 -11.376 -0.974 -1.251
17 H TRP 4 HN TRP 4 -11.191 2.134 -1.264
18 HA TRP 4 HA TRP 4 -11.527 3.035 1.488
19 HB2 TRP 4 HB2 TRP 4 -12.109 4.534 -1.070
20 HB3 TRP 4 HB1 TRP 4 -12.136 5.204 0.560
21 HD1 TRP 4 HD1 TRP 4 -9.710 5.519 1.759
22 HE1 TRP 4 HE1 TRP 4 -7.375 5.864 0.730
23 HE3 TRP 4 3HE TRP 4 -10.666 3.922 -2.983
24 HZ2 TRP 4 HZ2 TRP 4 -6.113 5.516 -1.759
25 HZ3 TRP 4 HZ3 TRP 4 -8.846 3.956 -4.637
26 HH2 TRP 4 2HH TRP 4 -6.615 4.736 -4.036
27 H HIS 5 HN HIS 5 -13.694 3.593 -1.262
28 HA HIS 5 HA HIS 5 -15.734 2.211 0.310
29 HB2 HIS 5 HB2 HIS 5 -16.085 4.743 -1.322
30 HB3 HIS 5 HB1 HIS 5 -17.422 3.815 -0.655
31 HD1 HIS 5 HD1 HIS 5 -18.080 4.388 1.746
32 HD2 HIS 5 HD2 HIS 5 -14.375 5.918 0.665
33 HE1 HIS 5 HE1 HIS 5 -17.344 5.838 3.658
34 H HIS 6 HN HIS 6 -15.771 3.550 -2.983
35 HA HIS 6 HA HIS 6 -16.645 0.908 -3.831
36 HB2 HIS 6 HB2 HIS 6 -17.932 3.006 -4.496
37 HB3 HIS 6 HB1 HIS 6 -16.562 3.420 -5.520
38 HD1 HIS 6 HD1 HIS 6 -19.592 1.274 -5.397
39 HD2 HIS 6 HD2 HIS 6 -16.191 1.677 -7.740
40 HE1 HIS 6 HE1 HIS 6 -20.050 -0.005 -7.511
41 H SER 7 HN SER 7 -14.050 3.229 -4.266
42 HA SER 7 HA SER 7 -12.750 1.645 -6.252
43 HB2 SER 7 HB2 SER 7 -11.794 4.043 -4.668
44 HB3 SER 7 HB1 SER 7 -10.976 3.346 -6.069
45 HG SER 7 HG SER 7 -12.514 4.077 -7.373
46 H CYS 8 HN CYS 8 -11.407 0.029 -5.887
47 HA CYS 8 HA CYS 8 -10.246 -0.339 -3.237
48 HB2 CYS 8 HB2 CYS 8 -12.363 -1.603 -3.421
49 HB3 CYS 8 HB1 CYS 8 -11.752 -2.403 -4.856
50 H VAL 9 HN VAL 9 -8.113 -0.603 -3.465
51 HA VAL 9 HA VAL 9 -6.987 -1.098 -6.065
52 HB VAL 9 HB VAL 9 -5.713 -0.441 -3.382
53 HG11 VAL 9 HG11 VAL 9 -3.661 0.045 -4.628
54 HG12 VAL 9 HG12 VAL 9 -4.423 -0.516 -6.111
55 HG13 VAL 9 3HG1 VAL 9 -4.111 -1.648 -4.800
56 HG21 VAL 9 HG21 VAL 9 -6.234 1.266 -5.804
57 HG22 VAL 9 HG22 VAL 9 -5.360 1.779 -4.358
58 HG23 VAL 9 HG23 VAL 9 -7.072 1.362 -4.254
59 HA PRO 10 HA PRO 10 -6.662 -5.483 -5.602
60 HB2 PRO 10 HB2 PRO 10 -4.251 -5.782 -6.981
61 HB3 PRO 10 HB1 PRO 10 -5.868 -5.811 -7.688
62 HG2 PRO 10 HG2 PRO 10 -3.913 -3.569 -7.512
63 HG3 PRO 10 HG1 PRO 10 -5.028 -3.982 -8.826
64 HD2 PRO 10 HD2 PRO 10 -5.544 -1.958 -7.197
65 HD3 PRO 10 HD1 PRO 10 -6.854 -3.029 -7.737
66 H SER 11 HN SER 11 -5.668 -7.043 -4.439
67 HA SER 11 HA SER 11 -4.040 -6.340 -2.276
68 HB2 SER 11 HB2 SER 11 -4.639 -9.059 -3.458
69 HB3 SER 11 HB1 SER 11 -4.049 -8.738 -1.828
70 HG SER 11 HG SER 11 -5.938 -7.849 -1.276
71 H GLY 12 HN GLY 12 -1.885 -6.431 -2.049
72 HA2 GLY 12 HA2 GLY 12 0.279 -7.323 -2.572
73 HA3 GLY 12 HA1 GLY 12 -0.294 -7.649 -4.202
74 H THR 13 HN THR 13 -1.129 -4.640 -2.797
75 HA THR 13 HA THR 13 0.602 -3.361 -4.697
76 HB THR 13 HB THR 13 -1.495 -2.139 -2.929
77 HG1 THR 13 HG1 THR 13 -2.543 -3.384 -4.518
78 HG21 THR 13 HG21 THR 13 0.066 -1.010 -5.265
79 HG22 THR 13 HG22 THR 13 0.178 -0.485 -3.583
80 HG23 THR 13 HG23 THR 13 -1.302 -0.206 -4.506
81 H CYS 14 HN CYS 14 2.499 -2.811 -4.104
82 HA CYS 14 HA CYS 14 3.005 -2.337 -1.278
83 HB2 CYS 14 HB2 CYS 14 4.296 -4.183 -2.271
84 HB3 CYS 14 HB1 CYS 14 4.983 -3.059 -3.439
85 H ALA 15 HN ALA 15 4.528 -0.619 -0.748
86 HA ALA 15 HA ALA 15 4.367 1.569 -2.661
87 HB1 ALA 15 HB1 ALA 15 3.840 1.665 0.302
88 HB2 ALA 15 HB2 ALA 15 2.650 1.886 -0.984
89 HB3 ALA 15 HB3 ALA 15 3.947 3.061 -0.763
90 H ASP 16 HN ASP 16 6.082 2.843 -2.729
91 HA ASP 16 HA ASP 16 8.570 1.932 -1.572
92 HB2 ASP 16 HB2 ASP 16 8.666 2.513 -3.892
93 HB3 ASP 16 HB1 ASP 16 7.844 4.040 -3.613
94 H PHE 17 HN PHE 17 9.251 2.691 0.302
95 HA PHE 17 HA PHE 17 8.517 5.413 1.058
96 HB2 PHE 17 HB2 PHE 17 9.122 3.001 2.785
97 HB3 PHE 17 HB1 PHE 17 8.940 4.634 3.408
98 HD1 PHE 17 HD1 PHE 17 6.776 5.737 3.318
99 HD2 PHE 17 HD2 PHE 17 7.259 1.685 2.198
100 HE1 PHE 17 HE1 PHE 17 4.360 5.415 3.513
101 HE2 PHE 17 HE2 PHE 17 4.833 1.330 2.388
102 HZ PHE 17 HZ PHE 17 3.374 3.196 3.048
103 HA PRO 18 HA PRO 18 12.898 6.543 1.032
104 HB2 PRO 18 HB2 PRO 18 12.338 7.478 3.801
105 HB3 PRO 18 HB1 PRO 18 13.104 8.338 2.462
106 HG2 PRO 18 HG2 PRO 18 10.633 8.944 3.126
107 HG3 PRO 18 HG1 PRO 18 11.065 8.779 1.415
108 HD2 PRO 18 HD2 PRO 18 9.602 6.870 3.190
109 HD3 PRO 18 HD1 PRO 18 9.304 7.293 1.490
110 H TRP 19 HN TRP 19 14.703 5.769 1.672
111 HA TRP 19 HA TRP 19 14.831 3.368 3.104
112 HB2 TRP 19 HB2 TRP 19 16.649 3.429 1.742
113 HB3 TRP 19 HB1 TRP 19 16.592 5.178 1.628
114 HD1 TRP 19 HD1 TRP 19 18.001 6.521 3.316
115 HE1 TRP 19 HE1 TRP 19 20.118 5.910 4.712
116 HE3 TRP 19 3HE TRP 19 17.748 1.475 2.897
117 HZ2 TRP 19 HZ2 TRP 19 21.446 3.548 5.492
118 HZ3 TRP 19 HZ3 TRP 19 19.470 0.091 3.978
119 HH2 TRP 19 2HH TRP 19 21.282 1.110 5.249
120 HA PRO 20 HA PRO 20 16.153 2.264 4.414
121 HB2 PRO 20 HB2 PRO 20 16.455 1.039 6.748
122 HB3 PRO 20 HB1 PRO 20 17.659 2.193 6.163
123 HG2 PRO 20 HG2 PRO 20 15.574 2.534 8.258
124 HG3 PRO 20 HG1 PRO 20 17.206 3.219 8.166
125 HD2 PRO 20 HD2 PRO 20 14.777 4.493 7.443
126 HD3 PRO 20 HD1 PRO 20 16.419 5.086 7.134
127 H LEU 21 HN LEU 21 13.323 3.378 5.107
128 HA LEU 21 HA LEU 21 11.837 1.191 6.177
129 HB2 LEU 21 HB2 LEU 21 11.213 3.492 4.440
130 HB3 LEU 21 HB1 LEU 21 9.937 2.387 4.954
131 HG LEU 21 HG LEU 21 11.632 4.117 6.779
132 HD11 LEU 21 HD11 LEU 21 10.125 5.419 5.343
133 HD12 LEU 21 HD12 LEU 21 9.606 5.440 7.027
134 HD13 LEU 21 HD13 LEU 21 8.770 4.412 5.861
135 HD21 LEU 21 HD21 LEU 21 10.818 2.067 7.836
136 HD22 LEU 21 HD22 LEU 21 9.187 2.443 7.278
137 HD23 LEU 21 HD23 LEU 21 9.974 3.486 8.463
138 H GLY 22 HN GLY 22 12.389 2.445 2.928
139 HA2 GLY 22 HA2 GLY 22 12.476 1.416 0.884
140 HA3 GLY 22 HA1 GLY 22 12.671 -0.103 1.746
141 H HIS 23 HN HIS 23 11.279 -1.366 0.680
142 HA HIS 23 HA HIS 23 8.605 -0.430 0.178
143 HB2 HIS 23 HB2 HIS 23 9.956 -3.055 -0.476
144 HB3 HIS 23 HB1 HIS 23 8.256 -2.741 -0.797
145 HD1 HIS 23 HD1 HIS 23 11.407 -2.669 -2.472
146 HD2 HIS 23 HD2 HIS 23 8.019 -0.268 -2.501
147 HE1 HIS 23 HE1 HIS 23 11.485 -1.383 -4.625
148 H GLN 24 HN GLN 24 7.943 -0.095 2.240
149 HA GLN 24 HA GLN 24 7.733 -2.192 4.168
150 HB2 GLN 24 HB2 GLN 24 6.361 0.479 3.947
151 HB3 GLN 24 HB1 GLN 24 6.017 -0.645 5.248
152 HG2 GLN 24 HG2 GLN 24 8.746 0.470 4.650
153 HG3 GLN 24 HG1 GLN 24 7.633 1.142 5.844
154 HE21 GLN 24 1HE2 GLN 24 9.840 -1.434 5.121
155 HE22 GLN 24 2HE2 GLN 24 9.769 -2.168 6.684
156 H CYS 25 HN CYS 25 5.768 -1.012 1.602
157 HA CYS 25 HA CYS 25 4.000 -1.821 0.462
158 HB2 CYS 25 HB2 CYS 25 4.438 -4.332 2.059
159 HB3 CYS 25 HB1 CYS 25 3.471 -4.209 0.588
160 H PHE 26 HN PHE 26 1.682 -2.687 0.680
161 HA PHE 26 HA PHE 26 0.579 -1.727 3.160
162 HB2 PHE 26 HB2 PHE 26 -0.611 -2.549 0.496
163 HB3 PHE 26 HB1 PHE 26 -1.614 -2.220 1.904
164 HD1 PHE 26 HD1 PHE 26 -1.920 -0.012 2.708
165 HD2 PHE 26 HD2 PHE 26 0.615 -0.743 -0.614
166 HE1 PHE 26 HE1 PHE 26 -1.904 2.399 2.194
167 HE2 PHE 26 HE2 PHE 26 0.637 1.660 -1.142
168 HZ PHE 26 HZ PHE 26 -0.619 3.235 0.264
169 HA PRO 27 HA PRO 27 0.063 -5.721 4.997
170 HB2 PRO 27 HB2 PRO 27 -2.853 -5.166 5.218
171 HB3 PRO 27 HB1 PRO 27 -1.709 -5.617 6.489
172 HG2 PRO 27 HG2 PRO 27 -2.596 -3.127 6.323
173 HG3 PRO 27 HG1 PRO 27 -0.895 -3.457 6.690
174 HD2 PRO 27 HD2 PRO 27 -2.131 -2.565 4.125
175 HD3 PRO 27 HD1 PRO 27 -0.601 -2.066 4.880
176 H ASP 28 HN ASP 28 -2.859 -4.985 3.164
177 HA ASP 28 HA ASP 28 -2.345 -7.338 1.490
178 HB2 ASP 28 HB2 ASP 28 -4.209 -7.903 3.002
179 HB3 ASP 28 HB1 ASP 28 -5.081 -6.469 2.464
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 -5.361 -5.769 1.698
2 HA2 GLY 1 HA2 GLY 1 -3.781 -4.141 -0.133
3 HA3 GLY 1 HA1 GLY 1 -5.226 -4.962 -0.722
4 H PHE 2 HN PHE 2 -4.257 -2.084 0.107
5 HA PHE 2 HA PHE 2 -6.359 -1.394 1.933
6 HB2 PHE 2 HB2 PHE 2 -5.384 0.955 1.696
7 HB3 PHE 2 HB1 PHE 2 -4.372 -0.265 2.448
8 HD1 PHE 2 HD1 PHE 2 -2.266 -0.810 1.546
9 HD2 PHE 2 HD2 PHE 2 -4.919 1.645 -0.687
10 HE1 PHE 2 HE1 PHE 2 -0.452 -0.264 -0.017
11 HE2 PHE 2 HE2 PHE 2 -3.101 2.196 -2.239
12 HZ PHE 2 HZ PHE 2 -0.862 1.244 -1.898
13 H CYS 3 HN CYS 3 -8.222 -0.497 1.512
14 HA CYS 3 HA CYS 3 -8.651 0.576 -1.154
15 HB2 CYS 3 HB2 CYS 3 -10.580 -1.179 0.391
16 HB3 CYS 3 HB1 CYS 3 -10.894 -0.435 -1.175
17 H TRP 4 HN TRP 4 -9.499 2.482 -1.182
18 HA TRP 4 HA TRP 4 -10.571 3.656 1.294
19 HB2 TRP 4 HB2 TRP 4 -9.494 5.126 -1.131
20 HB3 TRP 4 HB1 TRP 4 -9.843 5.774 0.464
21 HD1 TRP 4 HD1 TRP 4 -8.162 4.358 2.450
22 HE1 TRP 4 HE1 TRP 4 -5.588 4.193 2.267
23 HE3 TRP 4 3HE TRP 4 -7.662 5.230 -2.520
24 HZ2 TRP 4 HZ2 TRP 4 -3.625 4.404 0.269
25 HZ3 TRP 4 HZ3 TRP 4 -5.395 5.241 -3.517
26 HH2 TRP 4 2HH TRP 4 -3.424 4.839 -2.141
27 H HIS 5 HN HIS 5 -11.604 5.887 -0.360
28 HA HIS 5 HA HIS 5 -13.999 4.526 -1.286
29 HB2 HIS 5 HB2 HIS 5 -13.411 7.479 -0.893
30 HB3 HIS 5 HB1 HIS 5 -14.944 6.843 -1.466
31 HD1 HIS 5 HD1 HIS 5 -16.635 6.229 0.334
32 HD2 HIS 5 HD2 HIS 5 -12.782 6.660 1.833
33 HE1 HIS 5 HE1 HIS 5 -16.834 6.102 2.839
34 H HIS 6 HN HIS 6 -14.315 4.078 -3.356
35 HA HIS 6 HA HIS 6 -14.180 4.014 -5.602
36 HB2 HIS 6 HB2 HIS 6 -13.281 6.891 -5.325
37 HB3 HIS 6 HB1 HIS 6 -13.687 6.121 -6.851
38 HD1 HIS 6 HD1 HIS 6 -16.186 5.936 -7.422
39 HD2 HIS 6 HD2 HIS 6 -15.452 7.426 -3.627
40 HE1 HIS 6 HE1 HIS 6 -18.383 6.835 -6.594
41 H SER 7 HN SER 7 -11.857 3.345 -3.940
42 HA SER 7 HA SER 7 -9.964 2.910 -6.049
43 HB2 SER 7 HB2 SER 7 -9.168 4.526 -3.642
44 HB3 SER 7 HB1 SER 7 -8.051 3.944 -4.872
45 HG SER 7 HG SER 7 -10.032 5.250 -6.051
46 H CYS 8 HN CYS 8 -9.684 0.812 -5.687
47 HA CYS 8 HA CYS 8 -9.182 -0.093 -2.949
48 HB2 CYS 8 HB2 CYS 8 -11.523 -0.581 -3.580
49 HB3 CYS 8 HB1 CYS 8 -10.947 -1.491 -4.963
50 H VAL 9 HN VAL 9 -7.199 -0.898 -2.905
51 HA VAL 9 HA VAL 9 -6.062 -1.931 -5.364
52 HB VAL 9 HB VAL 9 -4.732 -1.249 -2.718
53 HG11 VAL 9 HG11 VAL 9 -3.510 -1.769 -5.422
54 HG12 VAL 9 HG12 VAL 9 -3.507 -2.879 -4.050
55 HG13 VAL 9 3HG1 VAL 9 -2.653 -1.335 -3.936
56 HG21 VAL 9 HG21 VAL 9 -5.679 0.741 -3.756
57 HG22 VAL 9 HG22 VAL 9 -4.855 0.357 -5.269
58 HG23 VAL 9 HG23 VAL 9 -3.918 0.770 -3.834
59 HA PRO 10 HA PRO 10 -6.826 -6.142 -3.932
60 HB2 PRO 10 HB2 PRO 10 -4.450 -6.750 -5.563
61 HB3 PRO 10 HB1 PRO 10 -6.067 -7.453 -5.646
62 HG2 PRO 10 HG2 PRO 10 -5.231 -5.730 -7.514
63 HG3 PRO 10 HG1 PRO 10 -6.907 -5.728 -6.944
64 HD2 PRO 10 HD2 PRO 10 -4.691 -3.832 -6.314
65 HD3 PRO 10 HD1 PRO 10 -6.432 -3.538 -6.506
66 H SER 11 HN SER 11 -5.737 -7.870 -2.854
67 HA SER 11 HA SER 11 -3.993 -7.058 -0.826
68 HB2 SER 11 HB2 SER 11 -5.665 -8.904 -0.630
69 HB3 SER 11 HB1 SER 11 -4.689 -9.871 -1.729
70 HG SER 11 HG SER 11 -4.140 -10.483 0.260
71 H GLY 12 HN GLY 12 -1.875 -7.124 -0.671
72 HA2 GLY 12 HA2 GLY 12 0.324 -7.912 -1.144
73 HA3 GLY 12 HA1 GLY 12 -0.276 -8.558 -2.674
74 H THR 13 HN THR 13 -0.486 -5.439 -1.121
75 HA THR 13 HA THR 13 0.331 -4.217 -3.624
76 HB THR 13 HB THR 13 -1.821 -3.437 -2.964
77 HG1 THR 13 HG1 THR 13 -0.437 -1.816 -3.701
78 HG21 THR 13 HG21 THR 13 -1.724 -4.143 -0.688
79 HG22 THR 13 HG22 THR 13 -2.233 -2.436 -0.769
80 HG23 THR 13 HG23 THR 13 -0.565 -2.870 -0.322
81 H CYS 14 HN CYS 14 2.044 -2.793 -3.676
82 HA CYS 14 HA CYS 14 3.488 -2.508 -1.159
83 HB2 CYS 14 HB2 CYS 14 4.622 -2.636 -3.958
84 HB3 CYS 14 HB1 CYS 14 5.547 -2.384 -2.478
85 H ALA 15 HN ALA 15 2.912 -0.621 -0.403
86 HA ALA 15 HA ALA 15 2.751 1.674 -2.126
87 HB1 ALA 15 HB1 ALA 15 2.624 1.488 0.881
88 HB2 ALA 15 HB2 ALA 15 1.223 1.430 -0.194
89 HB3 ALA 15 HB3 ALA 15 2.199 2.897 -0.090
90 H ASP 16 HN ASP 16 4.235 3.271 -2.234
91 HA ASP 16 HA ASP 16 6.865 2.551 -1.217
92 HB2 ASP 16 HB2 ASP 16 7.800 3.990 -2.916
93 HB3 ASP 16 HB1 ASP 16 6.617 2.937 -3.672
94 H PHE 17 HN PHE 17 7.908 3.717 0.156
95 HA PHE 17 HA PHE 17 6.862 6.309 1.035
96 HB2 PHE 17 HB2 PHE 17 7.798 4.001 2.760
97 HB3 PHE 17 HB1 PHE 17 7.400 5.600 3.361
98 HD1 PHE 17 HD1 PHE 17 5.020 6.417 2.954
99 HD2 PHE 17 HD2 PHE 17 6.191 2.349 2.635
100 HE1 PHE 17 HE1 PHE 17 2.705 5.744 3.263
101 HE2 PHE 17 HE2 PHE 17 3.865 1.646 2.943
102 HZ PHE 17 HZ PHE 17 2.106 3.332 3.256
103 HA PRO 18 HA PRO 18 11.193 7.602 0.993
104 HB2 PRO 18 HB2 PRO 18 10.900 8.363 3.863
105 HB3 PRO 18 HB1 PRO 18 11.454 9.344 2.503
106 HG2 PRO 18 HG2 PRO 18 9.035 9.730 3.526
107 HG3 PRO 18 HG1 PRO 18 9.292 9.790 1.772
108 HD2 PRO 18 HD2 PRO 18 8.099 7.605 3.434
109 HD3 PRO 18 HD1 PRO 18 7.612 8.193 1.839
110 H TRP 19 HN TRP 19 13.258 6.976 1.895
111 HA TRP 19 HA TRP 19 13.168 4.332 2.875
112 HB2 TRP 19 HB2 TRP 19 15.295 6.095 1.844
113 HB3 TRP 19 HB1 TRP 19 15.815 4.802 2.933
114 HD1 TRP 19 HD1 TRP 19 13.652 5.180 -0.269
115 HE1 TRP 19 HE1 TRP 19 13.877 2.999 -1.610
116 HE3 TRP 19 3HE TRP 19 16.650 2.543 2.925
117 HZ2 TRP 19 HZ2 TRP 19 15.124 0.530 -1.345
118 HZ3 TRP 19 HZ3 TRP 19 17.309 0.275 2.298
119 HH2 TRP 19 2HH TRP 19 16.564 -0.714 0.200
120 HA PRO 20 HA PRO 20 14.818 2.982 3.648
121 HB2 PRO 20 HB2 PRO 20 15.252 1.216 5.538
122 HB3 PRO 20 HB1 PRO 20 16.344 2.601 5.374
123 HG2 PRO 20 HG2 PRO 20 14.159 2.143 7.359
124 HG3 PRO 20 HG1 PRO 20 15.751 2.877 7.599
125 HD2 PRO 20 HD2 PRO 20 13.334 4.261 7.188
126 HD3 PRO 20 HD1 PRO 20 14.962 4.954 7.065
127 H LEU 21 HN LEU 21 11.998 3.720 4.579
128 HA LEU 21 HA LEU 21 10.682 1.228 4.892
129 HB2 LEU 21 HB2 LEU 21 9.821 3.893 3.924
130 HB3 LEU 21 HB1 LEU 21 8.666 2.586 4.219
131 HG LEU 21 HG LEU 21 10.400 3.984 6.279
132 HD11 LEU 21 HD11 LEU 21 8.286 4.874 7.127
133 HD12 LEU 21 HD12 LEU 21 7.430 4.111 5.784
134 HD13 LEU 21 HD13 LEU 21 8.596 5.397 5.471
135 HD21 LEU 21 HD21 LEU 21 10.025 1.657 6.883
136 HD22 LEU 21 HD22 LEU 21 8.294 1.852 6.608
137 HD23 LEU 21 HD23 LEU 21 9.083 2.730 7.918
138 H GLY 22 HN GLY 22 10.691 3.510 2.139
139 HA2 GLY 22 HA2 GLY 22 10.630 3.147 -0.122
140 HA3 GLY 22 HA1 GLY 22 11.396 1.590 0.197
141 H HIS 23 HN HIS 23 10.155 0.399 -1.194
142 HA HIS 23 HA HIS 23 7.309 0.443 -0.829
143 HB2 HIS 23 HB2 HIS 23 7.222 -1.380 -2.548
144 HB3 HIS 23 HB1 HIS 23 8.031 0.067 -3.108
145 HD1 HIS 23 HD1 HIS 23 10.528 -0.200 -3.800
146 HD2 HIS 23 HD2 HIS 23 8.782 -3.596 -2.229
147 HE1 HIS 23 HE1 HIS 23 12.121 -2.079 -4.316
148 H GLN 24 HN GLN 24 6.870 0.009 1.097
149 HA GLN 24 HA GLN 24 7.975 -1.937 2.763
150 HB2 GLN 24 HB2 GLN 24 5.359 -0.496 2.862
151 HB3 GLN 24 HB1 GLN 24 5.760 -1.721 4.055
152 HG2 GLN 24 HG2 GLN 24 7.440 0.701 3.477
153 HG3 GLN 24 HG1 GLN 24 6.252 0.594 4.779
154 HE21 GLN 24 1HE2 GLN 24 6.668 -0.778 6.516
155 HE22 GLN 24 2HE2 GLN 24 8.240 -1.356 6.875
156 H CYS 25 HN CYS 25 5.199 -2.193 0.678
157 HA CYS 25 HA CYS 25 3.904 -3.912 -0.007
158 HB2 CYS 25 HB2 CYS 25 6.218 -5.619 0.922
159 HB3 CYS 25 HB1 CYS 25 4.859 -6.216 -0.036
160 H PHE 26 HN PHE 26 2.116 -4.473 0.765
161 HA PHE 26 HA PHE 26 1.961 -5.005 3.620
162 HB2 PHE 26 HB2 PHE 26 -0.074 -3.939 1.677
163 HB3 PHE 26 HB1 PHE 26 -0.448 -4.381 3.339
164 HD1 PHE 26 HD1 PHE 26 1.035 -3.318 5.127
165 HD2 PHE 26 HD2 PHE 26 0.568 -1.783 1.212
166 HE1 PHE 26 HE1 PHE 26 1.748 -1.064 5.924
167 HE2 PHE 26 HE2 PHE 26 1.270 0.445 1.975
168 HZ PHE 26 HZ PHE 26 1.864 0.803 4.335
169 HA PRO 27 HA PRO 27 0.609 -9.113 2.835
170 HB2 PRO 27 HB2 PRO 27 -0.609 -9.652 5.159
171 HB3 PRO 27 HB1 PRO 27 1.141 -9.333 5.077
172 HG2 PRO 27 HG2 PRO 27 -1.068 -7.454 5.811
173 HG3 PRO 27 HG1 PRO 27 0.433 -7.801 6.693
174 HD2 PRO 27 HD2 PRO 27 0.208 -5.671 5.061
175 HD3 PRO 27 HD1 PRO 27 1.728 -6.572 5.230
176 H ASP 28 HN ASP 28 -1.434 -6.517 2.952
177 HA ASP 28 HA ASP 28 -3.725 -8.112 2.073
178 HB2 ASP 28 HB2 ASP 28 -3.848 -7.316 4.560
179 HB3 ASP 28 HB1 ASP 28 -4.069 -5.708 3.879
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 -6.035 -5.729 1.587
2 HA2 GLY 1 HA2 GLY 1 -5.280 -4.097 -0.674
3 HA3 GLY 1 HA1 GLY 1 -6.864 -4.796 -0.349
4 H PHE 2 HN PHE 2 -5.632 -1.998 -0.803
5 HA PHE 2 HA PHE 2 -6.831 -0.761 1.542
6 HB2 PHE 2 HB2 PHE 2 -5.688 1.342 0.885
7 HB3 PHE 2 HB1 PHE 2 -4.577 0.022 1.183
8 HD1 PHE 2 HD1 PHE 2 -5.883 2.379 -1.286
9 HD2 PHE 2 HD2 PHE 2 -3.331 -0.996 -0.716
10 HE1 PHE 2 HE1 PHE 2 -4.774 2.851 -3.403
11 HE2 PHE 2 HE2 PHE 2 -2.240 -0.518 -2.836
12 HZ PHE 2 HZ PHE 2 -2.947 1.406 -4.191
13 H CYS 3 HN CYS 3 -8.582 0.438 1.464
14 HA CYS 3 HA CYS 3 -9.927 0.662 -1.142
15 HB2 CYS 3 HB2 CYS 3 -11.102 0.678 1.645
16 HB3 CYS 3 HB1 CYS 3 -12.006 0.713 0.136
17 H TRP 4 HN TRP 4 -10.126 2.661 -1.945
18 HA TRP 4 HA TRP 4 -9.375 4.904 -0.310
19 HB2 TRP 4 HB2 TRP 4 -10.568 4.835 -3.093
20 HB3 TRP 4 HB1 TRP 4 -10.010 6.292 -2.287
21 HD1 TRP 4 HD1 TRP 4 -7.191 5.782 -1.411
22 HE1 TRP 4 HE1 TRP 4 -5.310 5.117 -3.037
23 HE3 TRP 4 3HE TRP 4 -10.041 3.906 -5.212
24 HZ2 TRP 4 HZ2 TRP 4 -5.072 3.969 -5.606
25 HZ3 TRP 4 HZ3 TRP 4 -8.911 3.056 -7.222
26 HH2 TRP 4 2HH TRP 4 -6.481 3.088 -7.413
27 H HIS 5 HN HIS 5 -12.311 4.481 -2.243
28 HA HIS 5 HA HIS 5 -13.850 5.251 0.126
29 HB2 HIS 5 HB2 HIS 5 -14.449 6.056 -2.751
30 HB3 HIS 5 HB1 HIS 5 -15.497 6.368 -1.379
31 HD1 HIS 5 HD1 HIS 5 -14.932 8.456 0.072
32 HD2 HIS 5 HD2 HIS 5 -12.098 7.615 -2.840
33 HE1 HIS 5 HE1 HIS 5 -13.409 10.444 -0.014
34 H HIS 6 HN HIS 6 -14.406 4.001 -3.133
35 HA HIS 6 HA HIS 6 -15.938 1.809 -1.902
36 HB2 HIS 6 HB2 HIS 6 -17.276 1.670 -3.990
37 HB3 HIS 6 HB1 HIS 6 -17.451 3.213 -3.172
38 HD1 HIS 6 HD1 HIS 6 -16.313 1.693 -6.380
39 HD2 HIS 6 HD2 HIS 6 -16.295 5.395 -4.512
40 HE1 HIS 6 HE1 HIS 6 -15.745 3.376 -8.171
41 H SER 7 HN SER 7 -13.502 2.612 -4.293
42 HA SER 7 HA SER 7 -13.298 -0.135 -5.063
43 HB2 SER 7 HB2 SER 7 -11.415 0.907 -6.514
44 HB3 SER 7 HB1 SER 7 -13.092 1.295 -6.898
45 HG SER 7 HG SER 7 -11.665 3.126 -6.820
46 H CYS 8 HN CYS 8 -11.731 -1.497 -4.498
47 HA CYS 8 HA CYS 8 -9.764 -0.594 -2.535
48 HB2 CYS 8 HB2 CYS 8 -11.084 -3.301 -2.803
49 HB3 CYS 8 HB1 CYS 8 -9.920 -2.823 -1.573
50 H VAL 9 HN VAL 9 -7.727 -1.056 -2.956
51 HA VAL 9 HA VAL 9 -7.142 -2.515 -5.423
52 HB VAL 9 HB VAL 9 -5.232 -0.834 -3.787
53 HG11 VAL 9 HG11 VAL 9 -5.172 -1.683 -6.673
54 HG12 VAL 9 HG12 VAL 9 -4.180 -2.322 -5.359
55 HG13 VAL 9 3HG1 VAL 9 -3.984 -0.649 -5.876
56 HG21 VAL 9 HG21 VAL 9 -7.008 0.109 -6.039
57 HG22 VAL 9 HG22 VAL 9 -5.652 1.014 -5.359
58 HG23 VAL 9 HG23 VAL 9 -7.037 0.636 -4.349
59 HA PRO 10 HA PRO 10 -6.500 -5.801 -2.521
60 HB2 PRO 10 HB2 PRO 10 -5.361 -7.563 -4.232
61 HB3 PRO 10 HB1 PRO 10 -7.111 -7.297 -4.103
62 HG2 PRO 10 HG2 PRO 10 -5.150 -6.253 -6.100
63 HG3 PRO 10 HG1 PRO 10 -6.825 -6.776 -6.346
64 HD2 PRO 10 HD2 PRO 10 -6.119 -4.180 -6.239
65 HD3 PRO 10 HD1 PRO 10 -7.689 -4.751 -5.648
66 H SER 11 HN SER 11 -4.932 -7.250 -1.696
67 HA SER 11 HA SER 11 -2.466 -6.178 -1.028
68 HB2 SER 11 HB2 SER 11 -3.612 -7.951 0.273
69 HB3 SER 11 HB1 SER 11 -3.358 -9.075 -1.054
70 HG SER 11 HG SER 11 -1.639 -8.258 0.910
71 H GLY 12 HN GLY 12 -0.474 -6.513 -1.820
72 HA2 GLY 12 HA2 GLY 12 1.064 -7.736 -3.273
73 HA3 GLY 12 HA1 GLY 12 -0.255 -7.863 -4.430
74 H THR 13 HN THR 13 -1.039 -5.079 -3.655
75 HA THR 13 HA THR 13 0.384 -3.649 -5.617
76 HB THR 13 HB THR 13 -1.262 -2.587 -3.326
77 HG1 THR 13 HG1 THR 13 -2.780 -3.756 -4.295
78 HG21 THR 13 HG21 THR 13 -1.772 -0.746 -4.882
79 HG22 THR 13 HG22 THR 13 -0.722 -1.480 -6.095
80 HG23 THR 13 HG23 THR 13 -0.038 -0.868 -4.586
81 H CYS 14 HN CYS 14 2.379 -2.879 -5.358
82 HA CYS 14 HA CYS 14 3.329 -2.546 -2.643
83 HB2 CYS 14 HB2 CYS 14 4.886 -3.137 -5.150
84 HB3 CYS 14 HB1 CYS 14 5.626 -2.766 -3.593
85 H ALA 15 HN ALA 15 4.745 -0.821 -2.126
86 HA ALA 15 HA ALA 15 4.789 1.437 -3.892
87 HB1 ALA 15 HB1 ALA 15 3.884 2.905 -2.119
88 HB2 ALA 15 HB2 ALA 15 3.518 1.481 -1.148
89 HB3 ALA 15 HB3 ALA 15 2.688 1.739 -2.683
90 H ASP 16 HN ASP 16 6.510 2.700 -3.407
91 HA ASP 16 HA ASP 16 8.417 1.587 -1.512
92 HB2 ASP 16 HB2 ASP 16 10.096 2.882 -2.627
93 HB3 ASP 16 HB1 ASP 16 9.114 2.145 -3.883
94 H PHE 17 HN PHE 17 9.178 2.734 0.192
95 HA PHE 17 HA PHE 17 7.907 5.295 0.742
96 HB2 PHE 17 HB2 PHE 17 8.295 2.925 2.580
97 HB3 PHE 17 HB1 PHE 17 7.931 4.540 3.172
98 HD1 PHE 17 HD1 PHE 17 5.761 5.522 2.816
99 HD2 PHE 17 HD2 PHE 17 6.630 1.606 1.447
100 HE1 PHE 17 HE1 PHE 17 3.363 5.112 2.518
101 HE2 PHE 17 HE2 PHE 17 4.229 1.166 1.144
102 HZ PHE 17 HZ PHE 17 2.583 2.924 1.677
103 HA PRO 18 HA PRO 18 11.972 6.860 1.637
104 HB2 PRO 18 HB2 PRO 18 10.942 7.819 4.256
105 HB3 PRO 18 HB1 PRO 18 11.715 8.733 2.958
106 HG2 PRO 18 HG2 PRO 18 9.103 8.950 3.354
107 HG3 PRO 18 HG1 PRO 18 9.763 8.867 1.710
108 HD2 PRO 18 HD2 PRO 18 8.430 6.730 3.321
109 HD3 PRO 18 HD1 PRO 18 8.238 7.141 1.604
110 H TRP 19 HN TRP 19 13.796 6.507 2.984
111 HA TRP 19 HA TRP 19 13.687 4.039 4.330
112 HB2 TRP 19 HB2 TRP 19 15.864 5.895 3.575
113 HB3 TRP 19 HB1 TRP 19 16.188 4.794 4.921
114 HD1 TRP 19 HD1 TRP 19 14.977 4.628 1.245
115 HE1 TRP 19 HE1 TRP 19 15.608 2.305 0.327
116 HE3 TRP 19 3HE TRP 19 16.993 2.567 5.478
117 HZ2 TRP 19 HZ2 TRP 19 16.777 -0.041 1.261
118 HZ3 TRP 19 HZ3 TRP 19 17.840 0.273 5.370
119 HH2 TRP 19 2HH TRP 19 17.741 -1.007 3.300
120 HA PRO 20 HA PRO 20 15.040 2.961 5.643
121 HB2 PRO 20 HB2 PRO 20 15.097 1.576 7.897
122 HB3 PRO 20 HB1 PRO 20 16.195 2.941 7.662
123 HG2 PRO 20 HG2 PRO 20 13.757 2.752 9.346
124 HG3 PRO 20 HG1 PRO 20 15.216 3.724 9.592
125 HD2 PRO 20 HD2 PRO 20 12.723 4.555 8.466
126 HD3 PRO 20 HD1 PRO 20 14.212 5.514 8.601
127 H LEU 21 HN LEU 21 12.034 3.603 5.753
128 HA LEU 21 HA LEU 21 10.774 1.097 6.232
129 HB2 LEU 21 HB2 LEU 21 10.114 3.476 4.575
130 HB3 LEU 21 HB1 LEU 21 8.989 2.128 4.740
131 HG LEU 21 HG LEU 21 9.973 3.817 7.057
132 HD11 LEU 21 HD11 LEU 21 7.787 4.908 6.940
133 HD12 LEU 21 HD12 LEU 21 7.416 4.001 5.470
134 HD13 LEU 21 HD13 LEU 21 8.721 5.188 5.472
135 HD21 LEU 21 HD21 LEU 21 8.063 2.830 8.207
136 HD22 LEU 21 HD22 LEU 21 9.163 1.574 7.633
137 HD23 LEU 21 HD23 LEU 21 7.667 1.905 6.761
138 H GLY 22 HN GLY 22 11.434 2.819 3.185
139 HA2 GLY 22 HA2 GLY 22 12.331 2.058 1.225
140 HA3 GLY 22 HA1 GLY 22 12.650 0.511 1.997
141 H HIS 23 HN HIS 23 11.826 -0.836 0.462
142 HA HIS 23 HA HIS 23 9.223 -0.400 -0.676
143 HB2 HIS 23 HB2 HIS 23 11.027 -2.838 -0.822
144 HB3 HIS 23 HB1 HIS 23 9.513 -2.667 -1.695
145 HD1 HIS 23 HD1 HIS 23 9.638 -1.465 -3.961
146 HD2 HIS 23 HD2 HIS 23 13.140 -1.236 -1.743
147 HE1 HIS 23 HE1 HIS 23 11.374 -0.488 -5.494
148 H GLN 24 HN GLN 24 7.948 -0.277 1.111
149 HA GLN 24 HA GLN 24 7.769 -2.442 2.985
150 HB2 GLN 24 HB2 GLN 24 6.061 0.002 2.567
151 HB3 GLN 24 HB1 GLN 24 5.745 -1.201 3.800
152 HG2 GLN 24 HG2 GLN 24 8.319 0.318 3.581
153 HG3 GLN 24 HG1 GLN 24 6.965 0.794 4.611
154 HE21 GLN 24 1HE2 GLN 24 6.413 -0.519 6.339
155 HE22 GLN 24 2HE2 GLN 24 7.528 -1.630 7.033
156 H CYS 25 HN CYS 25 5.839 -1.216 0.332
157 HA CYS 25 HA CYS 25 4.207 -2.070 -0.939
158 HB2 CYS 25 HB2 CYS 25 5.776 -4.028 -1.178
159 HB3 CYS 25 HB1 CYS 25 4.989 -4.798 0.191
160 H PHE 26 HN PHE 26 1.917 -3.025 -0.800
161 HA PHE 26 HA PHE 26 0.961 -2.361 1.822
162 HB2 PHE 26 HB2 PHE 26 -0.461 -2.770 -0.796
163 HB3 PHE 26 HB1 PHE 26 -1.325 -2.562 0.726
164 HD1 PHE 26 HD1 PHE 26 0.374 -0.910 -1.966
165 HD2 PHE 26 HD2 PHE 26 -0.930 -0.494 2.054
166 HE1 PHE 26 HE1 PHE 26 0.568 1.535 -2.167
167 HE2 PHE 26 HE2 PHE 26 -0.740 1.963 1.865
168 HZ PHE 26 HZ PHE 26 0.009 2.974 -0.249
169 HA PRO 27 HA PRO 27 0.817 -6.587 3.142
170 HB2 PRO 27 HB2 PRO 27 -1.040 -5.367 5.103
171 HB3 PRO 27 HB1 PRO 27 0.377 -6.391 5.400
172 HG2 PRO 27 HG2 PRO 27 0.467 -3.788 5.880
173 HG3 PRO 27 HG1 PRO 27 1.846 -4.603 5.123
174 HD2 PRO 27 HD2 PRO 27 -0.230 -2.860 3.880
175 HD3 PRO 27 HD1 PRO 27 1.511 -2.983 3.561
176 H ASP 28 HN ASP 28 -2.152 -4.601 3.063
177 HA ASP 28 HA ASP 28 -3.576 -6.954 2.065
178 HB2 ASP 28 HB2 ASP 28 -4.031 -6.554 4.532
179 HB3 ASP 28 HB1 ASP 28 -4.731 -5.003 4.091
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 -4.997 -4.680 2.530
2 HA2 GLY 1 HA2 GLY 1 -3.791 -3.448 0.208
3 HA3 GLY 1 HA1 GLY 1 -5.132 -4.531 -0.135
4 H PHE 2 HN PHE 2 -4.260 -1.446 0.467
5 HA PHE 2 HA PHE 2 -6.544 -0.665 1.897
6 HB2 PHE 2 HB2 PHE 2 -5.826 1.708 1.179
7 HB3 PHE 2 HB1 PHE 2 -4.786 0.805 2.261
8 HD1 PHE 2 HD1 PHE 2 -2.632 0.092 1.574
9 HD2 PHE 2 HD2 PHE 2 -5.185 2.118 -1.126
10 HE1 PHE 2 HE1 PHE 2 -0.710 0.491 0.089
11 HE2 PHE 2 HE2 PHE 2 -3.274 2.529 -2.632
12 HZ PHE 2 HZ PHE 2 -1.030 1.707 -2.015
13 H CYS 3 HN CYS 3 -8.404 -0.032 1.327
14 HA CYS 3 HA CYS 3 -9.125 0.588 -1.375
15 HB2 CYS 3 HB2 CYS 3 -9.174 -1.825 -1.547
16 HB3 CYS 3 HB1 CYS 3 -10.052 -1.974 -0.035
17 H TRP 4 HN TRP 4 -10.963 1.837 -1.384
18 HA TRP 4 HA TRP 4 -12.335 2.069 1.181
19 HB2 TRP 4 HB2 TRP 4 -11.613 4.329 -0.704
20 HB3 TRP 4 HB1 TRP 4 -12.604 4.490 0.748
21 HD1 TRP 4 HD1 TRP 4 -11.344 4.511 3.064
22 HE1 TRP 4 HE1 TRP 4 -8.881 4.829 3.708
23 HE3 TRP 4 3HE TRP 4 -9.229 3.787 -1.524
24 HZ2 TRP 4 HZ2 TRP 4 -6.352 4.756 2.419
25 HZ3 TRP 4 HZ3 TRP 4 -6.784 3.927 -1.739
26 HH2 TRP 4 2HH TRP 4 -5.377 4.403 0.196
27 H HIS 5 HN HIS 5 -13.305 4.089 -1.436
28 HA HIS 5 HA HIS 5 -15.404 2.175 -2.108
29 HB2 HIS 5 HB2 HIS 5 -15.796 5.125 -1.578
30 HB3 HIS 5 HB1 HIS 5 -16.991 4.123 -2.394
31 HD1 HIS 5 HD1 HIS 5 -18.390 2.507 -0.911
32 HD2 HIS 5 HD2 HIS 5 -15.483 4.641 1.142
33 HE1 HIS 5 HE1 HIS 5 -18.828 2.097 1.534
34 H HIS 6 HN HIS 6 -14.079 5.271 -3.211
35 HA HIS 6 HA HIS 6 -14.667 4.553 -5.942
36 HB2 HIS 6 HB2 HIS 6 -13.210 6.980 -4.845
37 HB3 HIS 6 HB1 HIS 6 -13.732 6.763 -6.509
38 HD1 HIS 6 HD1 HIS 6 -14.800 8.242 -3.388
39 HD2 HIS 6 HD2 HIS 6 -16.677 6.571 -6.693
40 HE1 HIS 6 HE1 HIS 6 -17.174 9.049 -3.321
41 H SER 7 HN SER 7 -11.863 5.075 -3.893
42 HA SER 7 HA SER 7 -10.092 4.029 -5.959
43 HB2 SER 7 HB2 SER 7 -9.461 5.100 -3.199
44 HB3 SER 7 HB1 SER 7 -8.307 4.778 -4.495
45 HG SER 7 HG SER 7 -10.176 6.369 -5.468
46 H CYS 8 HN CYS 8 -9.523 1.891 -5.894
47 HA CYS 8 HA CYS 8 -9.539 0.559 -3.331
48 HB2 CYS 8 HB2 CYS 8 -11.803 0.234 -4.339
49 HB3 CYS 8 HB1 CYS 8 -11.029 -0.566 -5.704
50 H VAL 9 HN VAL 9 -7.679 -0.517 -3.145
51 HA VAL 9 HA VAL 9 -6.430 -1.462 -5.598
52 HB VAL 9 HB VAL 9 -5.080 -0.759 -2.956
53 HG11 VAL 9 HG11 VAL 9 -3.847 -2.367 -4.281
54 HG12 VAL 9 HG12 VAL 9 -3.010 -0.812 -4.227
55 HG13 VAL 9 3HG1 VAL 9 -3.900 -1.288 -5.678
56 HG21 VAL 9 HG21 VAL 9 -5.252 0.877 -5.480
57 HG22 VAL 9 HG22 VAL 9 -4.238 1.261 -4.090
58 HG23 VAL 9 HG23 VAL 9 -5.997 1.265 -3.930
59 HA PRO 10 HA PRO 10 -7.375 -5.575 -4.049
60 HB2 PRO 10 HB2 PRO 10 -4.811 -6.317 -5.362
61 HB3 PRO 10 HB1 PRO 10 -6.421 -7.015 -5.565
62 HG2 PRO 10 HG2 PRO 10 -5.422 -5.443 -7.436
63 HG3 PRO 10 HG1 PRO 10 -7.127 -5.313 -6.971
64 HD2 PRO 10 HD2 PRO 10 -4.833 -3.536 -6.249
65 HD3 PRO 10 HD1 PRO 10 -6.509 -3.126 -6.672
66 H SER 11 HN SER 11 -6.674 -7.181 -2.636
67 HA SER 11 HA SER 11 -5.125 -6.420 -0.425
68 HB2 SER 11 HB2 SER 11 -6.985 -8.113 -0.418
69 HB3 SER 11 HB1 SER 11 -5.925 -9.222 -1.278
70 HG SER 11 HG SER 11 -5.602 -8.185 1.353
71 H GLY 12 HN GLY 12 -3.000 -6.331 -0.217
72 HA2 GLY 12 HA2 GLY 12 -0.866 -7.360 -0.316
73 HA3 GLY 12 HA1 GLY 12 -1.323 -8.064 -1.875
74 H THR 13 HN THR 13 -0.419 -5.142 -0.220
75 HA THR 13 HA THR 13 -0.362 -3.808 -2.793
76 HB THR 13 HB THR 13 -0.396 -1.681 -1.353
77 HG1 THR 13 HG1 THR 13 -1.468 -3.578 0.488
78 HG21 THR 13 HG21 THR 13 -2.794 -3.492 -1.574
79 HG22 THR 13 HG22 THR 13 -2.228 -2.334 -2.778
80 HG23 THR 13 HG23 THR 13 -2.863 -1.762 -1.235
81 H CYS 14 HN CYS 14 1.535 -3.709 -3.600
82 HA CYS 14 HA CYS 14 3.827 -3.489 -1.897
83 HB2 CYS 14 HB2 CYS 14 3.781 -4.912 -3.984
84 HB3 CYS 14 HB1 CYS 14 3.701 -3.419 -4.913
85 H ALA 15 HN ALA 15 4.279 -1.608 -1.120
86 HA ALA 15 HA ALA 15 3.767 0.781 -2.729
87 HB1 ALA 15 HB1 ALA 15 1.984 0.524 -1.043
88 HB2 ALA 15 HB2 ALA 15 2.989 1.948 -0.755
89 HB3 ALA 15 HB3 ALA 15 3.223 0.503 0.219
90 H ASP 16 HN ASP 16 5.239 2.352 -2.544
91 HA ASP 16 HA ASP 16 7.668 1.727 -1.073
92 HB2 ASP 16 HB2 ASP 16 8.752 3.482 -2.335
93 HB3 ASP 16 HB1 ASP 16 7.843 2.498 -3.470
94 H PHE 17 HN PHE 17 8.503 3.114 0.382
95 HA PHE 17 HA PHE 17 6.767 5.193 1.468
96 HB2 PHE 17 HB2 PHE 17 8.211 2.962 2.921
97 HB3 PHE 17 HB1 PHE 17 7.537 4.363 3.739
98 HD1 PHE 17 HD1 PHE 17 6.804 1.182 2.098
99 HD2 PHE 17 HD2 PHE 17 5.141 4.659 3.887
100 HE1 PHE 17 HE1 PHE 17 4.648 0.048 2.280
101 HE2 PHE 17 HE2 PHE 17 2.989 3.540 4.069
102 HZ PHE 17 HZ PHE 17 2.721 1.222 3.269
103 HA PRO 18 HA PRO 18 10.658 7.652 1.764
104 HB2 PRO 18 HB2 PRO 18 10.126 7.724 4.690
105 HB3 PRO 18 HB1 PRO 18 10.471 9.062 3.586
106 HG2 PRO 18 HG2 PRO 18 8.013 8.720 4.474
107 HG3 PRO 18 HG1 PRO 18 8.283 9.109 2.765
108 HD2 PRO 18 HD2 PRO 18 7.605 6.487 4.026
109 HD3 PRO 18 HD1 PRO 18 7.026 7.181 2.497
110 H TRP 19 HN TRP 19 12.686 7.289 2.132
111 HA TRP 19 HA TRP 19 13.558 4.749 2.903
112 HB2 TRP 19 HB2 TRP 19 15.161 5.605 1.534
113 HB3 TRP 19 HB1 TRP 19 14.645 7.247 1.844
114 HD1 TRP 19 HD1 TRP 19 15.842 8.536 3.718
115 HE1 TRP 19 HE1 TRP 19 18.211 8.226 4.844
116 HE3 TRP 19 3HE TRP 19 16.822 3.809 2.188
117 HZ2 TRP 19 HZ2 TRP 19 20.158 6.209 4.996
118 HZ3 TRP 19 HZ3 TRP 19 18.935 2.741 2.840
119 HH2 TRP 19 2HH TRP 19 20.562 3.913 4.213
120 HA PRO 20 HA PRO 20 15.331 3.808 3.852
121 HB2 PRO 20 HB2 PRO 20 16.096 2.166 5.756
122 HB3 PRO 20 HB1 PRO 20 16.859 3.754 5.591
123 HG2 PRO 20 HG2 PRO 20 14.851 2.819 7.579
124 HG3 PRO 20 HG1 PRO 20 16.184 3.968 7.775
125 HD2 PRO 20 HD2 PRO 20 13.448 4.584 7.283
126 HD3 PRO 20 HD1 PRO 20 14.808 5.721 7.282
127 H LEU 21 HN LEU 21 12.358 3.820 4.732
128 HA LEU 21 HA LEU 21 11.789 1.037 4.945
129 HB2 LEU 21 HB2 LEU 21 10.252 3.454 4.251
130 HB3 LEU 21 HB1 LEU 21 9.452 1.875 4.322
131 HG LEU 21 HG LEU 21 10.766 3.364 6.622
132 HD11 LEU 21 HD11 LEU 21 8.654 4.362 5.919
133 HD12 LEU 21 HD12 LEU 21 8.491 3.574 7.488
134 HD13 LEU 21 HD13 LEU 21 7.863 2.790 6.039
135 HD21 LEU 21 HD21 LEU 21 9.275 0.743 6.573
136 HD22 LEU 21 HD22 LEU 21 9.792 1.590 8.026
137 HD23 LEU 21 HD23 LEU 21 10.995 0.954 6.905
138 H GLY 22 HN GLY 22 11.249 3.438 2.355
139 HA2 GLY 22 HA2 GLY 22 11.304 3.214 0.064
140 HA3 GLY 22 HA1 GLY 22 12.384 1.843 0.315
141 H HIS 23 HN HIS 23 11.515 0.349 -1.020
142 HA HIS 23 HA HIS 23 8.683 -0.059 -1.095
143 HB2 HIS 23 HB2 HIS 23 10.972 -1.499 -2.410
144 HB3 HIS 23 HB1 HIS 23 9.340 -2.152 -2.456
145 HD1 HIS 23 HD1 HIS 23 11.513 0.394 -4.101
146 HD2 HIS 23 HD2 HIS 23 7.468 -0.539 -3.835
147 HE1 HIS 23 HE1 HIS 23 10.382 1.640 -5.960
148 H GLN 24 HN GLN 24 7.997 -0.526 0.822
149 HA GLN 24 HA GLN 24 9.068 -2.755 2.320
150 HB2 GLN 24 HB2 GLN 24 6.671 -0.985 2.779
151 HB3 GLN 24 HB1 GLN 24 7.076 -2.336 3.826
152 HG2 GLN 24 HG2 GLN 24 8.874 0.009 3.270
153 HG3 GLN 24 HG1 GLN 24 7.851 -0.168 4.698
154 HE21 GLN 24 1HE2 GLN 24 10.733 -1.225 3.098
155 HE22 GLN 24 2HE2 GLN 24 11.356 -2.161 4.392
156 H CYS 25 HN CYS 25 5.973 -1.998 0.821
157 HA CYS 25 HA CYS 25 4.350 -3.223 -0.089
158 HB2 CYS 25 HB2 CYS 25 6.577 -5.204 -0.663
159 HB3 CYS 25 HB1 CYS 25 5.044 -5.115 -1.533
160 H PHE 26 HN PHE 26 2.789 -3.889 1.163
161 HA PHE 26 HA PHE 26 3.393 -5.973 3.106
162 HB2 PHE 26 HB2 PHE 26 1.784 -4.828 4.662
163 HB3 PHE 26 HB1 PHE 26 3.204 -3.875 4.285
164 HD1 PHE 26 HD1 PHE 26 -0.351 -4.042 4.276
165 HD2 PHE 26 HD2 PHE 26 2.980 -1.999 2.623
166 HE1 PHE 26 HE1 PHE 26 -1.812 -2.160 3.674
167 HE2 PHE 26 HE2 PHE 26 1.546 -0.121 2.002
168 HZ PHE 26 HZ PHE 26 -0.860 -0.184 2.536
169 HA PRO 27 HA PRO 27 0.316 -8.474 1.452
170 HB2 PRO 27 HB2 PRO 27 -0.682 -9.794 3.580
171 HB3 PRO 27 HB1 PRO 27 0.963 -10.043 2.982
172 HG2 PRO 27 HG2 PRO 27 0.008 -8.386 5.274
173 HG3 PRO 27 HG1 PRO 27 1.413 -9.465 5.187
174 HD2 PRO 27 HD2 PRO 27 1.572 -6.772 4.948
175 HD3 PRO 27 HD1 PRO 27 2.710 -7.865 4.143
176 H ASP 28 HN ASP 28 -0.820 -5.946 3.409
177 HA ASP 28 HA ASP 28 -3.561 -6.845 3.121
178 HB2 ASP 28 HB2 ASP 28 -2.627 -5.676 5.262
179 HB3 ASP 28 HB1 ASP 28 -2.780 -4.190 4.326
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 -5.567 -6.158 1.032
2 HA2 GLY 1 HA2 GLY 1 -4.415 -3.693 -0.090
3 HA3 GLY 1 HA1 GLY 1 -5.535 -4.699 -1.015
4 H PHE 2 HN PHE 2 -6.561 -2.296 -0.796
5 HA PHE 2 HA PHE 2 -8.590 -2.582 1.238
6 HB2 PHE 2 HB2 PHE 2 -8.226 -0.386 2.269
7 HB3 PHE 2 HB1 PHE 2 -6.834 -1.431 2.501
8 HD1 PHE 2 HD1 PHE 2 -8.082 1.625 0.933
9 HD2 PHE 2 HD2 PHE 2 -4.718 -0.946 1.357
10 HE1 PHE 2 HE1 PHE 2 -6.626 3.386 0.038
11 HE2 PHE 2 HE2 PHE 2 -3.258 0.819 0.461
12 HZ PHE 2 HZ PHE 2 -4.211 2.985 -0.200
13 H CYS 3 HN CYS 3 -10.418 -1.412 0.828
14 HA CYS 3 HA CYS 3 -10.511 0.022 -1.718
15 HB2 CYS 3 HB2 CYS 3 -12.763 -0.834 0.128
16 HB3 CYS 3 HB1 CYS 3 -12.942 -0.151 -1.484
17 H TRP 4 HN TRP 4 -10.394 2.196 -1.687
18 HA TRP 4 HA TRP 4 -10.341 3.505 0.841
19 HB2 TRP 4 HB2 TRP 4 -8.797 4.068 -0.949
20 HB3 TRP 4 HB1 TRP 4 -10.133 4.443 -2.018
21 HD1 TRP 4 HD1 TRP 4 -9.407 5.770 1.570
22 HE1 TRP 4 HE1 TRP 4 -9.332 8.346 1.413
23 HE3 TRP 4 3HE TRP 4 -10.078 6.185 -3.368
24 HZ2 TRP 4 HZ2 TRP 4 -9.544 10.316 -0.623
25 HZ3 TRP 4 HZ3 TRP 4 -10.136 8.463 -4.429
26 HH2 TRP 4 2HH TRP 4 -9.871 10.472 -3.061
27 H HIS 5 HN HIS 5 -12.202 4.241 -2.099
28 HA HIS 5 HA HIS 5 -14.572 4.262 -0.391
29 HB2 HIS 5 HB2 HIS 5 -13.957 6.194 -2.647
30 HB3 HIS 5 HB1 HIS 5 -15.580 5.956 -2.026
31 HD1 HIS 5 HD1 HIS 5 -16.194 7.225 0.107
32 HD2 HIS 5 HD2 HIS 5 -12.150 7.411 -0.813
33 HE1 HIS 5 HE1 HIS 5 -15.215 8.946 1.641
34 H HIS 6 HN HIS 6 -13.969 4.448 -3.849
35 HA HIS 6 HA HIS 6 -15.633 2.051 -4.136
36 HB2 HIS 6 HB2 HIS 6 -15.083 4.292 -6.091
37 HB3 HIS 6 HB1 HIS 6 -15.932 2.813 -6.518
38 HD1 HIS 6 HD1 HIS 6 -18.410 2.705 -5.949
39 HD2 HIS 6 HD2 HIS 6 -16.485 5.981 -4.272
40 HE1 HIS 6 HE1 HIS 6 -20.228 4.178 -5.002
41 H SER 7 HN SER 7 -12.591 3.542 -4.875
42 HA SER 7 HA SER 7 -11.687 1.517 -6.640
43 HB2 SER 7 HB2 SER 7 -10.111 3.546 -5.068
44 HB3 SER 7 HB1 SER 7 -9.607 2.694 -6.531
45 HG SER 7 HG SER 7 -11.329 3.739 -7.631
46 H CYS 8 HN CYS 8 -10.848 -0.400 -6.077
47 HA CYS 8 HA CYS 8 -10.025 -0.799 -3.306
48 HB2 CYS 8 HB2 CYS 8 -11.094 -2.801 -5.294
49 HB3 CYS 8 HB1 CYS 8 -10.463 -3.213 -3.703
50 H VAL 9 HN VAL 9 -8.013 -0.595 -3.111
51 HA VAL 9 HA VAL 9 -6.090 -0.884 -5.153
52 HB VAL 9 HB VAL 9 -5.678 -0.884 -2.151
53 HG11 VAL 9 HG11 VAL 9 -3.471 0.027 -2.645
54 HG12 VAL 9 HG12 VAL 9 -3.807 -0.078 -4.372
55 HG13 VAL 9 3HG1 VAL 9 -3.700 -1.549 -3.406
56 HG21 VAL 9 HG21 VAL 9 -5.823 1.468 -4.028
57 HG22 VAL 9 HG22 VAL 9 -5.390 1.532 -2.318
58 HG23 VAL 9 HG23 VAL 9 -7.010 1.039 -2.796
59 HA PRO 10 HA PRO 10 -5.797 -5.346 -5.260
60 HB2 PRO 10 HB2 PRO 10 -2.960 -4.693 -5.876
61 HB3 PRO 10 HB1 PRO 10 -4.078 -5.765 -6.726
62 HG2 PRO 10 HG2 PRO 10 -3.487 -3.352 -7.692
63 HG3 PRO 10 HG1 PRO 10 -5.119 -4.022 -7.831
64 HD2 PRO 10 HD2 PRO 10 -4.091 -1.886 -6.046
65 HD3 PRO 10 HD1 PRO 10 -5.704 -2.102 -6.757
66 H SER 11 HN SER 11 -5.100 -6.946 -3.968
67 HA SER 11 HA SER 11 -4.129 -6.451 -1.403
68 HB2 SER 11 HB2 SER 11 -4.097 -9.032 -2.982
69 HB3 SER 11 HB1 SER 11 -4.014 -8.877 -1.224
70 HG SER 11 HG SER 11 -6.177 -8.429 -2.959
71 H GLY 12 HN GLY 12 -2.135 -5.907 -0.847
72 HA2 GLY 12 HA2 GLY 12 0.210 -6.418 -0.815
73 HA3 GLY 12 HA1 GLY 12 0.082 -6.843 -2.525
74 H THR 13 HN THR 13 -1.029 -4.122 -0.593
75 HA THR 13 HA THR 13 -0.255 -2.363 -2.705
76 HB THR 13 HB THR 13 -2.377 -1.898 -1.679
77 HG1 THR 13 HG1 THR 13 -1.025 -0.117 -2.318
78 HG21 THR 13 HG21 THR 13 -0.833 -1.531 0.840
79 HG22 THR 13 HG22 THR 13 -1.931 -2.862 0.460
80 HG23 THR 13 HG23 THR 13 -2.574 -1.216 0.669
81 H CYS 14 HN CYS 14 1.575 -1.339 -2.834
82 HA CYS 14 HA CYS 14 3.295 -1.327 -0.453
83 HB2 CYS 14 HB2 CYS 14 4.322 -1.540 -3.265
84 HB3 CYS 14 HB1 CYS 14 5.169 -1.889 -1.773
85 H ALA 15 HN ALA 15 3.430 0.730 0.170
86 HA ALA 15 HA ALA 15 3.265 2.849 -1.777
87 HB1 ALA 15 HB1 ALA 15 2.042 3.049 0.344
88 HB2 ALA 15 HB2 ALA 15 3.247 4.321 0.170
89 HB3 ALA 15 HB3 ALA 15 3.565 2.946 1.228
90 H ASP 16 HN ASP 16 4.921 4.261 -2.203
91 HA ASP 16 HA ASP 16 7.562 3.159 -1.870
92 HB2 ASP 16 HB2 ASP 16 6.670 5.739 -3.188
93 HB3 ASP 16 HB1 ASP 16 8.319 5.148 -3.180
94 H PHE 17 HN PHE 17 8.206 3.324 0.216
95 HA PHE 17 HA PHE 17 8.100 5.942 1.476
96 HB2 PHE 17 HB2 PHE 17 8.949 3.241 2.558
97 HB3 PHE 17 HB1 PHE 17 8.955 4.730 3.482
98 HD1 PHE 17 HD1 PHE 17 6.721 5.938 3.751
99 HD2 PHE 17 HD2 PHE 17 7.081 1.891 2.522
100 HE1 PHE 17 HE1 PHE 17 4.408 5.533 4.453
101 HE2 PHE 17 HE2 PHE 17 4.765 1.468 3.212
102 HZ PHE 17 HZ PHE 17 3.416 3.287 4.183
103 HA PRO 18 HA PRO 18 12.438 6.667 0.596
104 HB2 PRO 18 HB2 PRO 18 12.748 7.657 3.364
105 HB3 PRO 18 HB1 PRO 18 12.997 8.516 1.844
106 HG2 PRO 18 HG2 PRO 18 10.891 9.039 3.424
107 HG3 PRO 18 HG1 PRO 18 10.775 9.108 1.657
108 HD2 PRO 18 HD2 PRO 18 9.817 6.967 3.528
109 HD3 PRO 18 HD1 PRO 18 9.076 7.614 2.053
110 H TRP 19 HN TRP 19 14.587 6.009 1.383
111 HA TRP 19 HA TRP 19 14.451 3.437 2.544
112 HB2 TRP 19 HB2 TRP 19 16.582 5.051 1.284
113 HB3 TRP 19 HB1 TRP 19 17.096 3.810 2.428
114 HD1 TRP 19 HD1 TRP 19 14.811 4.054 -0.699
115 HE1 TRP 19 HE1 TRP 19 14.944 1.786 -1.912
116 HE3 TRP 19 3HE TRP 19 17.864 1.574 2.555
117 HZ2 TRP 19 HZ2 TRP 19 16.175 -0.700 -1.513
118 HZ3 TRP 19 HZ3 TRP 19 18.478 -0.747 2.059
119 HH2 TRP 19 2HH TRP 19 17.652 -1.866 0.064
120 HA PRO 20 HA PRO 20 15.898 2.045 3.356
121 HB2 PRO 20 HB2 PRO 20 16.400 0.471 5.401
122 HB3 PRO 20 HB1 PRO 20 17.578 1.716 4.964
123 HG2 PRO 20 HG2 PRO 20 15.630 1.669 7.222
124 HG3 PRO 20 HG1 PRO 20 17.263 2.349 7.165
125 HD2 PRO 20 HD2 PRO 20 14.821 3.751 6.833
126 HD3 PRO 20 HD1 PRO 20 16.455 4.381 6.552
127 H LEU 21 HN LEU 21 13.282 3.168 4.595
128 HA LEU 21 HA LEU 21 11.778 0.869 5.314
129 HB2 LEU 21 HB2 LEU 21 11.081 3.498 4.130
130 HB3 LEU 21 HB1 LEU 21 9.837 2.374 4.688
131 HG LEU 21 HG LEU 21 11.919 3.779 6.397
132 HD11 LEU 21 HD11 LEU 21 10.205 5.294 5.558
133 HD12 LEU 21 HD12 LEU 21 10.010 5.020 7.291
134 HD13 LEU 21 HD13 LEU 21 8.947 4.205 6.142
135 HD21 LEU 21 HD21 LEU 21 11.323 1.592 7.302
136 HD22 LEU 21 HD22 LEU 21 9.614 1.998 7.169
137 HD23 LEU 21 HD23 LEU 21 10.645 2.885 8.294
138 H GLY 22 HN GLY 22 11.768 2.873 2.386
139 HA2 GLY 22 HA2 GLY 22 11.537 2.380 0.177
140 HA3 GLY 22 HA1 GLY 22 12.204 0.798 0.555
141 H HIS 23 HN HIS 23 10.944 -0.721 -0.163
142 HA HIS 23 HA HIS 23 8.095 -0.247 -0.341
143 HB2 HIS 23 HB2 HIS 23 9.751 -2.589 -1.351
144 HB3 HIS 23 HB1 HIS 23 8.031 -2.374 -1.624
145 HD1 HIS 23 HD1 HIS 23 7.603 -1.565 -3.979
146 HD2 HIS 23 HD2 HIS 23 11.209 -0.147 -2.465
147 HE1 HIS 23 HE1 HIS 23 8.635 -0.173 -5.797
148 H GLN 24 HN GLN 24 7.844 -0.250 1.952
149 HA GLN 24 HA GLN 24 8.360 -2.567 3.530
150 HB2 GLN 24 HB2 GLN 24 6.351 -0.339 3.879
151 HB3 GLN 24 HB1 GLN 24 6.538 -1.629 5.056
152 HG2 GLN 24 HG2 GLN 24 8.709 0.288 4.228
153 HG3 GLN 24 HG1 GLN 24 7.708 0.459 5.667
154 HE21 GLN 24 1HE2 GLN 24 7.738 -2.459 6.210
155 HE22 GLN 24 2HE2 GLN 24 9.309 -2.786 6.808
156 H CYS 25 HN CYS 25 5.323 -1.363 2.210
157 HA CYS 25 HA CYS 25 3.627 -2.283 1.141
158 HB2 CYS 25 HB2 CYS 25 5.438 -3.375 -0.195
159 HB3 CYS 25 HB1 CYS 25 5.239 -4.794 0.827
160 H PHE 26 HN PHE 26 1.773 -3.246 1.502
161 HA PHE 26 HA PHE 26 1.591 -4.769 3.976
162 HB2 PHE 26 HB2 PHE 26 -0.507 -3.243 2.427
163 HB3 PHE 26 HB1 PHE 26 -0.829 -4.201 3.866
164 HD1 PHE 26 HD1 PHE 26 0.371 -3.591 5.963
165 HD2 PHE 26 HD2 PHE 26 0.142 -1.031 2.601
166 HE1 PHE 26 HE1 PHE 26 0.893 -1.648 7.414
167 HE2 PHE 26 HE2 PHE 26 0.662 0.904 3.994
168 HZ PHE 26 HZ PHE 26 1.038 0.610 6.423
169 HA PRO 27 HA PRO 27 0.840 -8.482 1.561
170 HB2 PRO 27 HB2 PRO 27 -0.793 -8.941 4.018
171 HB3 PRO 27 HB1 PRO 27 0.314 -10.074 3.203
172 HG2 PRO 27 HG2 PRO 27 1.090 -8.894 5.401
173 HG3 PRO 27 HG1 PRO 27 2.200 -8.904 4.014
174 HD2 PRO 27 HD2 PRO 27 0.478 -6.680 5.036
175 HD3 PRO 27 HD1 PRO 27 2.143 -6.641 4.419
176 H ASP 28 HN ASP 28 -1.699 -6.610 3.132
177 HA ASP 28 HA ASP 28 -3.763 -7.852 1.489
178 HB2 ASP 28 HB2 ASP 28 -5.338 -6.819 3.047
179 HB3 ASP 28 HB1 ASP 28 -4.135 -7.761 3.921
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 -5.216 -6.124 1.114
2 HA2 GLY 1 HA2 GLY 1 -3.612 -3.762 0.438
3 HA3 GLY 1 HA1 GLY 1 -5.004 -4.303 -0.494
4 H PHE 2 HN PHE 2 -6.015 -2.338 -0.210
5 HA PHE 2 HA PHE 2 -7.631 -2.202 2.094
6 HB2 PHE 2 HB2 PHE 2 -7.028 0.178 2.671
7 HB3 PHE 2 HB1 PHE 2 -5.807 -1.002 3.106
8 HD1 PHE 2 HD1 PHE 2 -3.632 -0.942 2.107
9 HD2 PHE 2 HD2 PHE 2 -6.652 1.760 0.808
10 HE1 PHE 2 HE1 PHE 2 -1.935 0.402 0.972
11 HE2 PHE 2 HE2 PHE 2 -4.949 3.105 -0.344
12 HZ PHE 2 HZ PHE 2 -2.588 2.429 -0.265
13 H CYS 3 HN CYS 3 -9.496 -1.165 1.646
14 HA CYS 3 HA CYS 3 -9.564 0.055 -0.976
15 HB2 CYS 3 HB2 CYS 3 -11.653 -1.778 0.204
16 HB3 CYS 3 HB1 CYS 3 -11.843 -0.882 -1.302
17 H TRP 4 HN TRP 4 -10.264 1.979 -1.073
18 HA TRP 4 HA TRP 4 -11.851 3.053 1.108
19 HB2 TRP 4 HB2 TRP 4 -9.458 3.744 1.220
20 HB3 TRP 4 HB1 TRP 4 -9.530 4.267 -0.450
21 HD1 TRP 4 HD1 TRP 4 -11.011 5.233 3.000
22 HE1 TRP 4 HE1 TRP 4 -11.450 7.772 2.959
23 HE3 TRP 4 3HE TRP 4 -9.764 6.161 -1.819
24 HZ2 TRP 4 HZ2 TRP 4 -11.286 9.883 1.116
25 HZ3 TRP 4 HZ3 TRP 4 -9.918 8.484 -2.676
26 HH2 TRP 4 2HH TRP 4 -10.671 10.300 -1.226
27 H HIS 5 HN HIS 5 -12.568 5.379 -0.082
28 HA HIS 5 HA HIS 5 -14.557 4.719 -1.899
29 HB2 HIS 5 HB2 HIS 5 -13.251 7.411 -1.447
30 HB3 HIS 5 HB1 HIS 5 -14.719 7.172 -2.381
31 HD1 HIS 5 HD1 HIS 5 -16.907 6.981 -1.069
32 HD2 HIS 5 HD2 HIS 5 -13.519 6.971 1.334
33 HE1 HIS 5 HE1 HIS 5 -17.729 7.197 1.306
34 H HIS 6 HN HIS 6 -14.425 4.013 -3.837
35 HA HIS 6 HA HIS 6 -13.998 3.737 -6.033
36 HB2 HIS 6 HB2 HIS 6 -12.147 6.129 -5.820
37 HB3 HIS 6 HB1 HIS 6 -12.565 5.326 -7.318
38 HD1 HIS 6 HD1 HIS 6 -14.473 6.384 -8.560
39 HD2 HIS 6 HD2 HIS 6 -14.482 7.368 -4.528
40 HE1 HIS 6 HE1 HIS 6 -16.274 8.125 -8.266
41 H SER 7 HN SER 7 -11.073 4.611 -4.328
42 HA SER 7 HA SER 7 -9.408 2.864 -5.859
43 HB2 SER 7 HB2 SER 7 -8.842 4.258 -3.290
44 HB3 SER 7 HB1 SER 7 -7.647 3.693 -4.451
45 HG SER 7 HG SER 7 -8.243 6.013 -4.478
46 H CYS 8 HN CYS 8 -10.183 0.837 -5.507
47 HA CYS 8 HA CYS 8 -9.916 -0.240 -2.803
48 HB2 CYS 8 HB2 CYS 8 -12.086 -0.683 -3.921
49 HB3 CYS 8 HB1 CYS 8 -11.232 -1.467 -5.238
50 H VAL 9 HN VAL 9 -7.908 -0.890 -2.443
51 HA VAL 9 HA VAL 9 -6.302 -1.799 -4.672
52 HB VAL 9 HB VAL 9 -5.483 -1.328 -1.798
53 HG11 VAL 9 HG11 VAL 9 -3.847 -1.516 -4.313
54 HG12 VAL 9 HG12 VAL 9 -3.961 -2.736 -3.042
55 HG13 VAL 9 3HG1 VAL 9 -3.234 -1.167 -2.696
56 HG21 VAL 9 HG21 VAL 9 -4.604 0.839 -2.541
57 HG22 VAL 9 HG22 VAL 9 -6.355 0.741 -2.700
58 HG23 VAL 9 HG23 VAL 9 -5.330 0.579 -4.129
59 HA PRO 10 HA PRO 10 -7.132 -6.000 -3.368
60 HB2 PRO 10 HB2 PRO 10 -5.371 -7.192 -5.052
61 HB3 PRO 10 HB1 PRO 10 -6.961 -6.621 -5.580
62 HG2 PRO 10 HG2 PRO 10 -4.279 -5.348 -5.891
63 HG3 PRO 10 HG1 PRO 10 -5.624 -5.417 -7.042
64 HD2 PRO 10 HD2 PRO 10 -5.059 -3.237 -5.537
65 HD3 PRO 10 HD1 PRO 10 -6.709 -3.635 -6.068
66 H SER 11 HN SER 11 -5.845 -7.835 -2.575
67 HA SER 11 HA SER 11 -4.128 -7.239 -0.534
68 HB2 SER 11 HB2 SER 11 -4.183 -9.790 -2.127
69 HB3 SER 11 HB1 SER 11 -3.744 -9.605 -0.430
70 HG SER 11 HG SER 11 -5.846 -9.193 0.098
71 H GLY 12 HN GLY 12 -2.131 -6.358 -0.674
72 HA2 GLY 12 HA2 GLY 12 0.194 -6.839 -1.209
73 HA3 GLY 12 HA1 GLY 12 -0.355 -7.270 -2.829
74 H THR 13 HN THR 13 0.143 -4.657 -0.589
75 HA THR 13 HA THR 13 -0.140 -2.812 -2.858
76 HB THR 13 HB THR 13 -0.384 -2.069 0.032
77 HG1 THR 13 HG1 THR 13 -2.130 -3.348 -1.665
78 HG21 THR 13 HG21 THR 13 -1.179 -0.720 -2.555
79 HG22 THR 13 HG22 THR 13 0.102 -0.213 -1.456
80 HG23 THR 13 HG23 THR 13 -1.585 -0.110 -0.954
81 H CYS 14 HN CYS 14 1.768 -2.254 -3.554
82 HA CYS 14 HA CYS 14 3.916 -1.671 -1.649
83 HB2 CYS 14 HB2 CYS 14 4.103 -2.361 -4.592
84 HB3 CYS 14 HB1 CYS 14 5.466 -1.973 -3.549
85 H ALA 15 HN ALA 15 3.874 0.427 -1.243
86 HA ALA 15 HA ALA 15 3.474 2.258 -3.485
87 HB1 ALA 15 HB1 ALA 15 1.707 2.419 -1.780
88 HB2 ALA 15 HB2 ALA 15 2.679 3.886 -1.845
89 HB3 ALA 15 HB3 ALA 15 2.932 2.718 -0.545
90 H ASP 16 HN ASP 16 4.719 4.333 -3.145
91 HA ASP 16 HA ASP 16 7.428 3.553 -2.569
92 HB2 ASP 16 HB2 ASP 16 6.308 6.097 -3.747
93 HB3 ASP 16 HB1 ASP 16 8.016 5.858 -3.411
94 H PHE 17 HN PHE 17 7.587 3.359 -0.442
95 HA PHE 17 HA PHE 17 7.001 5.652 1.222
96 HB2 PHE 17 HB2 PHE 17 7.870 2.832 1.828
97 HB3 PHE 17 HB1 PHE 17 7.843 4.087 3.058
98 HD1 PHE 17 HD1 PHE 17 5.867 1.809 1.054
99 HD2 PHE 17 HD2 PHE 17 5.746 5.094 3.738
100 HE1 PHE 17 HE1 PHE 17 3.487 1.370 1.474
101 HE2 PHE 17 HE2 PHE 17 3.380 4.684 4.164
102 HZ PHE 17 HZ PHE 17 2.231 2.810 3.037
103 HA PRO 18 HA PRO 18 11.212 7.111 1.164
104 HB2 PRO 18 HB2 PRO 18 11.324 8.190 3.645
105 HB3 PRO 18 HB1 PRO 18 10.479 8.984 2.313
106 HG2 PRO 18 HG2 PRO 18 9.372 7.372 4.569
107 HG3 PRO 18 HG1 PRO 18 8.737 8.854 3.834
108 HD2 PRO 18 HD2 PRO 18 7.753 6.394 3.291
109 HD3 PRO 18 HD1 PRO 18 7.732 7.693 2.092
110 H TRP 19 HN TRP 19 13.131 6.545 1.829
111 HA TRP 19 HA TRP 19 13.516 4.044 2.990
112 HB2 TRP 19 HB2 TRP 19 15.411 4.486 1.827
113 HB3 TRP 19 HB1 TRP 19 15.101 6.208 1.848
114 HD1 TRP 19 HD1 TRP 19 16.071 7.533 3.919
115 HE1 TRP 19 HE1 TRP 19 18.212 7.119 5.340
116 HE3 TRP 19 3HE TRP 19 16.870 2.684 2.687
117 HZ2 TRP 19 HZ2 TRP 19 19.972 4.975 5.823
118 HZ3 TRP 19 HZ3 TRP 19 18.806 1.505 3.642
119 HH2 TRP 19 2HH TRP 19 20.323 2.629 5.179
120 HA PRO 20 HA PRO 20 15.039 3.031 4.201
121 HB2 PRO 20 HB2 PRO 20 15.409 1.500 6.349
122 HB3 PRO 20 HB1 PRO 20 16.440 2.899 6.025
123 HG2 PRO 20 HG2 PRO 20 14.262 2.575 8.008
124 HG3 PRO 20 HG1 PRO 20 15.737 3.554 8.096
125 HD2 PRO 20 HD2 PRO 20 13.118 4.443 7.411
126 HD3 PRO 20 HD1 PRO 20 14.622 5.379 7.318
127 H LEU 21 HN LEU 21 12.048 3.530 4.865
128 HA LEU 21 HA LEU 21 10.938 0.949 5.350
129 HB2 LEU 21 HB2 LEU 21 9.959 3.422 4.056
130 HB3 LEU 21 HB1 LEU 21 8.876 2.062 4.378
131 HG LEU 21 HG LEU 21 10.300 3.795 6.425
132 HD11 LEU 21 HD11 LEU 21 7.402 3.619 5.624
133 HD12 LEU 21 HD12 LEU 21 8.497 4.965 5.294
134 HD13 LEU 21 HD13 LEU 21 8.043 4.579 6.956
135 HD21 LEU 21 HD21 LEU 21 8.296 1.577 6.786
136 HD22 LEU 21 HD22 LEU 21 8.925 2.614 8.064
137 HD23 LEU 21 HD23 LEU 21 10.005 1.499 7.221
138 H GLY 22 HN GLY 22 10.924 3.003 2.456
139 HA2 GLY 22 HA2 GLY 22 11.218 2.567 0.250
140 HA3 GLY 22 HA1 GLY 22 12.082 1.111 0.725
141 H HIS 23 HN HIS 23 11.219 -0.722 0.153
142 HA HIS 23 HA HIS 23 8.547 -0.710 -0.970
143 HB2 HIS 23 HB2 HIS 23 10.689 -2.862 -1.056
144 HB3 HIS 23 HB1 HIS 23 9.125 -2.962 -1.849
145 HD1 HIS 23 HD1 HIS 23 9.075 -2.141 -4.238
146 HD2 HIS 23 HD2 HIS 23 12.361 -0.717 -2.125
147 HE1 HIS 23 HE1 HIS 23 10.520 -0.926 -5.912
148 H GLN 24 HN GLN 24 7.703 -0.431 1.130
149 HA GLN 24 HA GLN 24 7.837 -2.262 3.229
150 HB2 GLN 24 HB2 GLN 24 5.633 -0.424 2.345
151 HB3 GLN 24 HB1 GLN 24 5.487 -1.397 3.796
152 HG2 GLN 24 HG2 GLN 24 7.647 0.617 3.255
153 HG3 GLN 24 HG1 GLN 24 6.220 0.891 4.256
154 HE21 GLN 24 1HE2 GLN 24 6.060 -0.162 6.230
155 HE22 GLN 24 2HE2 GLN 24 7.440 -0.852 7.007
156 H CYS 25 HN CYS 25 5.428 -2.056 0.690
157 HA CYS 25 HA CYS 25 3.937 -3.451 -0.164
158 HB2 CYS 25 HB2 CYS 25 6.160 -5.428 0.281
159 HB3 CYS 25 HB1 CYS 25 4.716 -5.756 -0.675
160 H PHE 26 HN PHE 26 2.254 -3.448 0.997
161 HA PHE 26 HA PHE 26 2.064 -4.867 3.468
162 HB2 PHE 26 HB2 PHE 26 -0.064 -3.527 1.793
163 HB3 PHE 26 HB1 PHE 26 -0.320 -4.199 3.400
164 HD1 PHE 26 HD1 PHE 26 0.767 -1.359 1.520
165 HD2 PHE 26 HD2 PHE 26 0.985 -3.266 5.301
166 HE1 PHE 26 HE1 PHE 26 1.490 0.752 2.523
167 HE2 PHE 26 HE2 PHE 26 1.716 -1.142 6.332
168 HZ PHE 26 HZ PHE 26 1.968 0.869 4.929
169 HA PRO 27 HA PRO 27 1.119 -8.948 1.942
170 HB2 PRO 27 HB2 PRO 27 -0.655 -8.723 4.340
171 HB3 PRO 27 HB1 PRO 27 0.370 -10.091 3.850
172 HG2 PRO 27 HG2 PRO 27 1.166 -8.498 5.765
173 HG3 PRO 27 HG1 PRO 27 2.322 -8.965 4.501
174 HD2 PRO 27 HD2 PRO 27 0.887 -6.380 4.892
175 HD3 PRO 27 HD1 PRO 27 2.525 -6.692 4.287
176 H ASP 28 HN ASP 28 -1.607 -7.150 3.361
177 HA ASP 28 HA ASP 28 -3.225 -8.069 1.109
178 HB2 ASP 28 HB2 ASP 28 -4.004 -8.696 3.455
179 HB3 ASP 28 HB1 ASP 28 -4.263 -6.979 3.747
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 -4.885 -5.852 0.156
2 HA2 GLY 1 HA2 GLY 1 -3.701 -3.475 -0.850
3 HA3 GLY 1 HA1 GLY 1 -5.054 -4.332 -1.575
4 H PHE 2 HN PHE 2 -4.205 -1.485 -0.494
5 HA PHE 2 HA PHE 2 -6.183 -0.741 1.353
6 HB2 PHE 2 HB2 PHE 2 -5.493 1.581 0.940
7 HB3 PHE 2 HB1 PHE 2 -4.127 0.512 1.192
8 HD1 PHE 2 HD1 PHE 2 -2.919 -0.330 -0.984
9 HD2 PHE 2 HD2 PHE 2 -5.537 3.026 -0.845
10 HE1 PHE 2 HE1 PHE 2 -1.893 0.550 -3.015
11 HE2 PHE 2 HE2 PHE 2 -4.506 3.907 -2.883
12 HZ PHE 2 HZ PHE 2 -2.680 2.673 -3.978
13 H CYS 3 HN CYS 3 -7.926 0.743 1.157
14 HA CYS 3 HA CYS 3 -9.273 0.775 -1.462
15 HB2 CYS 3 HB2 CYS 3 -10.632 0.270 1.196
16 HB3 CYS 3 HB1 CYS 3 -11.372 0.231 -0.395
17 H TRP 4 HN TRP 4 -10.494 2.650 -1.817
18 HA TRP 4 HA TRP 4 -10.105 4.750 0.207
19 HB2 TRP 4 HB2 TRP 4 -10.930 5.138 -2.686
20 HB3 TRP 4 HB1 TRP 4 -10.530 6.401 -1.531
21 HD1 TRP 4 HD1 TRP 4 -7.826 6.385 -0.744
22 HE1 TRP 4 HE1 TRP 4 -5.774 5.895 -2.221
23 HE3 TRP 4 3HE TRP 4 -10.146 3.895 -4.527
24 HZ2 TRP 4 HZ2 TRP 4 -5.229 4.623 -4.690
25 HZ3 TRP 4 HZ3 TRP 4 -8.801 3.075 -6.404
26 HH2 TRP 4 2HH TRP 4 -6.398 3.429 -6.477
27 H HIS 5 HN HIS 5 -12.583 4.541 -2.304
28 HA HIS 5 HA HIS 5 -14.625 4.416 -0.213
29 HB2 HIS 5 HB2 HIS 5 -14.759 5.990 -2.817
30 HB3 HIS 5 HB1 HIS 5 -16.074 5.826 -1.667
31 HD1 HIS 5 HD1 HIS 5 -16.127 7.539 0.251
32 HD2 HIS 5 HD2 HIS 5 -12.568 7.581 -1.895
33 HE1 HIS 5 HE1 HIS 5 -14.856 9.562 1.036
34 H HIS 6 HN HIS 6 -14.642 2.201 -0.474
35 HA HIS 6 HA HIS 6 -15.416 0.230 -1.168
36 HB2 HIS 6 HB2 HIS 6 -17.488 1.325 -1.951
37 HB3 HIS 6 HB1 HIS 6 -16.713 1.734 -3.476
38 HD1 HIS 6 HD1 HIS 6 -16.702 -0.090 -5.296
39 HD2 HIS 6 HD2 HIS 6 -18.114 -1.426 -1.626
40 HE1 HIS 6 HE1 HIS 6 -17.692 -2.363 -5.714
41 H SER 7 HN SER 7 -14.047 2.194 -3.689
42 HA SER 7 HA SER 7 -13.012 0.215 -5.338
43 HB2 SER 7 HB2 SER 7 -11.883 2.927 -4.762
44 HB3 SER 7 HB1 SER 7 -11.696 2.004 -6.256
45 HG SER 7 HG SER 7 -13.339 3.683 -6.281
46 H CYS 8 HN CYS 8 -11.762 -1.314 -4.624
47 HA CYS 8 HA CYS 8 -9.605 -0.711 -2.754
48 HB2 CYS 8 HB2 CYS 8 -10.952 -3.317 -3.473
49 HB3 CYS 8 HB1 CYS 8 -9.523 -3.192 -2.454
50 H VAL 9 HN VAL 9 -7.558 -1.077 -3.342
51 HA VAL 9 HA VAL 9 -7.087 -1.494 -6.152
52 HB VAL 9 HB VAL 9 -5.068 -1.183 -3.896
53 HG11 VAL 9 HG11 VAL 9 -3.541 -0.396 -5.623
54 HG12 VAL 9 HG12 VAL 9 -4.780 -0.648 -6.852
55 HG13 VAL 9 3HG1 VAL 9 -4.105 -2.028 -5.981
56 HG21 VAL 9 HG21 VAL 9 -6.304 0.969 -5.603
57 HG22 VAL 9 HG22 VAL 9 -4.983 1.196 -4.453
58 HG23 VAL 9 HG23 VAL 9 -6.576 0.711 -3.879
59 HA PRO 10 HA PRO 10 -6.890 -5.962 -6.032
60 HB2 PRO 10 HB2 PRO 10 -4.390 -6.027 -7.419
61 HB3 PRO 10 HB1 PRO 10 -5.988 -6.381 -8.069
62 HG2 PRO 10 HG2 PRO 10 -4.412 -3.888 -8.227
63 HG3 PRO 10 HG1 PRO 10 -5.722 -4.457 -9.270
64 HD2 PRO 10 HD2 PRO 10 -6.044 -2.415 -7.585
65 HD3 PRO 10 HD1 PRO 10 -7.362 -3.565 -7.896
66 H SER 11 HN SER 11 -6.160 -7.359 -4.614
67 HA SER 11 HA SER 11 -4.510 -6.770 -2.499
68 HB2 SER 11 HB2 SER 11 -6.180 -8.598 -2.555
69 HB3 SER 11 HB1 SER 11 -5.151 -9.501 -3.662
70 HG SER 11 HG SER 11 -4.019 -10.138 -2.045
71 H GLY 12 HN GLY 12 -2.412 -6.611 -2.293
72 HA2 GLY 12 HA2 GLY 12 -0.189 -7.539 -2.641
73 HA3 GLY 12 HA1 GLY 12 -0.649 -7.806 -4.324
74 H THR 13 HN THR 13 -0.916 -5.120 -2.066
75 HA THR 13 HA THR 13 -0.030 -3.329 -4.187
76 HB THR 13 HB THR 13 -0.924 -1.557 -2.616
77 HG1 THR 13 HG1 THR 13 -0.939 -3.428 -0.903
78 HG21 THR 13 HG21 THR 13 -2.831 -3.683 -3.583
79 HG22 THR 13 HG22 THR 13 -2.195 -2.345 -4.544
80 HG23 THR 13 HG23 THR 13 -3.260 -2.023 -3.175
81 H CYS 14 HN CYS 14 1.804 -2.150 -3.983
82 HA CYS 14 HA CYS 14 2.977 -2.002 -1.369
83 HB2 CYS 14 HB2 CYS 14 4.072 -3.900 -2.531
84 HB3 CYS 14 HB1 CYS 14 4.593 -2.791 -3.797
85 H ALA 15 HN ALA 15 4.363 -0.212 -1.068
86 HA ALA 15 HA ALA 15 4.323 1.802 -3.159
87 HB1 ALA 15 HB1 ALA 15 2.445 2.276 -1.669
88 HB2 ALA 15 HB2 ALA 15 3.706 3.494 -1.501
89 HB3 ALA 15 HB3 ALA 15 3.526 2.236 -0.275
90 H ASP 16 HN ASP 16 5.988 3.346 -2.838
91 HA ASP 16 HA ASP 16 8.286 2.169 -1.491
92 HB2 ASP 16 HB2 ASP 16 9.664 3.781 -2.742
93 HB3 ASP 16 HB1 ASP 16 8.635 2.862 -3.829
94 H PHE 17 HN PHE 17 9.188 2.978 0.239
95 HA PHE 17 HA PHE 17 8.168 5.507 1.306
96 HB2 PHE 17 HB2 PHE 17 8.894 2.916 2.665
97 HB3 PHE 17 HB1 PHE 17 8.739 4.421 3.556
98 HD1 PHE 17 HD1 PHE 17 6.635 5.399 3.945
99 HD2 PHE 17 HD2 PHE 17 6.964 1.839 1.669
100 HE1 PHE 17 HE1 PHE 17 4.246 5.079 4.146
101 HE2 PHE 17 HE2 PHE 17 4.545 1.476 1.859
102 HZ PHE 17 HZ PHE 17 3.162 3.094 3.094
103 HA PRO 18 HA PRO 18 12.411 6.923 1.502
104 HB2 PRO 18 HB2 PRO 18 12.478 7.995 4.021
105 HB3 PRO 18 HB1 PRO 18 11.810 8.838 2.624
106 HG2 PRO 18 HG2 PRO 18 10.405 7.404 4.825
107 HG3 PRO 18 HG1 PRO 18 9.930 8.871 3.957
108 HD2 PRO 18 HD2 PRO 18 8.840 6.447 3.499
109 HD3 PRO 18 HD1 PRO 18 8.960 7.659 2.229
110 H TRP 19 HN TRP 19 14.323 6.357 2.221
111 HA TRP 19 HA TRP 19 14.660 3.855 3.364
112 HB2 TRP 19 HB2 TRP 19 16.603 4.362 2.289
113 HB3 TRP 19 HB1 TRP 19 16.286 6.084 2.394
114 HD1 TRP 19 HD1 TRP 19 17.217 7.343 4.407
115 HE1 TRP 19 HE1 TRP 19 19.202 6.828 6.076
116 HE3 TRP 19 3HE TRP 19 17.848 2.432 3.363
117 HZ2 TRP 19 HZ2 TRP 19 20.735 4.603 6.773
118 HZ3 TRP 19 HZ3 TRP 19 19.585 1.161 4.548
119 HH2 TRP 19 2HH TRP 19 21.001 2.233 6.219
120 HA PRO 20 HA PRO 20 15.924 2.738 4.659
121 HB2 PRO 20 HB2 PRO 20 15.985 1.261 6.975
122 HB3 PRO 20 HB1 PRO 20 17.271 2.342 6.438
123 HG2 PRO 20 HG2 PRO 20 15.512 2.642 8.694
124 HG3 PRO 20 HG1 PRO 20 16.845 3.698 8.200
125 HD2 PRO 20 HD2 PRO 20 13.941 3.959 7.739
126 HD3 PRO 20 HD1 PRO 20 15.198 5.216 7.737
127 H LEU 21 HN LEU 21 12.975 3.416 5.071
128 HA LEU 21 HA LEU 21 11.688 0.979 5.824
129 HB2 LEU 21 HB2 LEU 21 10.881 3.435 4.398
130 HB3 LEU 21 HB1 LEU 21 9.699 2.206 4.876
131 HG LEU 21 HG LEU 21 11.415 3.866 6.751
132 HD11 LEU 21 HD11 LEU 21 9.345 5.040 7.279
133 HD12 LEU 21 HD12 LEU 21 8.497 4.105 6.041
134 HD13 LEU 21 HD13 LEU 21 9.777 5.231 5.579
135 HD21 LEU 21 HD21 LEU 21 9.098 2.027 7.272
136 HD22 LEU 21 HD22 LEU 21 9.918 3.012 8.484
137 HD23 LEU 21 HD23 LEU 21 10.783 1.694 7.683
138 H GLY 22 HN GLY 22 11.920 2.800 2.765
139 HA2 GLY 22 HA2 GLY 22 12.092 2.072 0.591
140 HA3 GLY 22 HA1 GLY 22 12.591 0.505 1.220
141 H HIS 23 HN HIS 23 11.299 -0.975 0.277
142 HA HIS 23 HA HIS 23 8.537 -0.291 -0.247
143 HB2 HIS 23 HB2 HIS 23 9.977 -2.910 -0.750
144 HB3 HIS 23 HB1 HIS 23 8.346 -2.532 -1.265
145 HD1 HIS 23 HD1 HIS 23 11.694 -2.606 -2.478
146 HD2 HIS 23 HD2 HIS 23 8.381 -0.200 -3.153
147 HE1 HIS 23 HE1 HIS 23 12.090 -1.481 -4.707
148 H GLN 24 HN GLN 24 7.793 -0.037 1.839
149 HA GLN 24 HA GLN 24 7.837 -2.166 3.762
150 HB2 GLN 24 HB2 GLN 24 6.024 0.246 3.565
151 HB3 GLN 24 HB1 GLN 24 6.034 -0.865 4.925
152 HG2 GLN 24 HG2 GLN 24 8.358 0.798 4.004
153 HG3 GLN 24 HG1 GLN 24 7.309 1.173 5.373
154 HE21 GLN 24 1HE2 GLN 24 7.515 -0.039 7.262
155 HE22 GLN 24 2HE2 GLN 24 8.877 -1.074 7.507
156 H CYS 25 HN CYS 25 5.710 -1.082 1.301
157 HA CYS 25 HA CYS 25 3.999 -1.944 0.199
158 HB2 CYS 25 HB2 CYS 25 4.795 -4.574 1.460
159 HB3 CYS 25 HB1 CYS 25 3.747 -4.389 0.052
160 H PHE 26 HN PHE 26 1.890 -3.558 0.663
161 HA PHE 26 HA PHE 26 0.984 -2.798 3.322
162 HB2 PHE 26 HB2 PHE 26 -0.595 -2.722 0.747
163 HB3 PHE 26 HB1 PHE 26 -1.273 -2.476 2.352
164 HD1 PHE 26 HD1 PHE 26 0.249 -0.938 -0.453
165 HD2 PHE 26 HD2 PHE 26 -0.307 -0.587 3.738
166 HE1 PHE 26 HE1 PHE 26 0.817 1.443 -0.592
167 HE2 PHE 26 HE2 PHE 26 0.260 1.810 3.618
168 HZ PHE 26 HZ PHE 26 0.823 2.828 1.445
169 HA PRO 27 HA PRO 27 0.316 -7.194 3.946
170 HB2 PRO 27 HB2 PRO 27 -1.738 -5.817 5.631
171 HB3 PRO 27 HB1 PRO 27 -0.738 -7.224 6.053
172 HG2 PRO 27 HG2 PRO 27 -0.060 -4.880 6.976
173 HG3 PRO 27 HG1 PRO 27 1.195 -5.897 6.244
174 HD2 PRO 27 HD2 PRO 27 -0.159 -3.481 5.139
175 HD3 PRO 27 HD1 PRO 27 1.517 -4.032 4.953
176 H ASP 28 HN ASP 28 -2.394 -4.917 3.613
177 HA ASP 28 HA ASP 28 -3.681 -6.808 1.807
178 HB2 ASP 28 HB2 ASP 28 -5.908 -6.266 2.678
179 HB3 ASP 28 HB1 ASP 28 -4.912 -6.898 3.978
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 -5.320 -5.700 1.465
2 HA2 GLY 1 HA2 GLY 1 -4.241 -3.694 -0.266
3 HA3 GLY 1 HA1 GLY 1 -5.871 -4.346 -0.310
4 H PHE 2 HN PHE 2 -6.080 -1.917 -0.822
5 HA PHE 2 HA PHE 2 -6.913 -0.682 1.652
6 HB2 PHE 2 HB2 PHE 2 -5.911 1.504 1.059
7 HB3 PHE 2 HB1 PHE 2 -4.716 0.270 1.412
8 HD1 PHE 2 HD1 PHE 2 -6.034 2.582 -1.069
9 HD2 PHE 2 HD2 PHE 2 -3.354 -0.676 -0.457
10 HE1 PHE 2 HE1 PHE 2 -4.867 3.149 -3.137
11 HE2 PHE 2 HE2 PHE 2 -2.197 -0.108 -2.529
12 HZ PHE 2 HZ PHE 2 -2.945 1.807 -3.876
13 H CYS 3 HN CYS 3 -8.682 0.490 1.518
14 HA CYS 3 HA CYS 3 -9.931 0.789 -1.127
15 HB2 CYS 3 HB2 CYS 3 -11.160 0.556 1.620
16 HB3 CYS 3 HB1 CYS 3 -12.057 0.878 0.142
17 H TRP 4 HN TRP 4 -10.406 2.812 -1.800
18 HA TRP 4 HA TRP 4 -9.919 4.998 0.068
19 HB2 TRP 4 HB2 TRP 4 -10.780 5.094 -2.843
20 HB3 TRP 4 HB1 TRP 4 -10.400 6.499 -1.856
21 HD1 TRP 4 HD1 TRP 4 -7.681 5.834 -0.614
22 HE1 TRP 4 HE1 TRP 4 -5.588 5.472 -2.054
23 HE3 TRP 4 3HE TRP 4 -9.948 4.706 -5.037
24 HZ2 TRP 4 HZ2 TRP 4 -4.977 4.810 -4.734
25 HZ3 TRP 4 HZ3 TRP 4 -8.543 4.227 -6.995
26 HH2 TRP 4 2HH TRP 4 -6.114 4.282 -6.846
27 H HIS 5 HN HIS 5 -12.547 4.458 -2.238
28 HA HIS 5 HA HIS 5 -14.404 4.887 -0.007
29 HB2 HIS 5 HB2 HIS 5 -14.908 5.766 -2.885
30 HB3 HIS 5 HB1 HIS 5 -15.928 6.047 -1.490
31 HD1 HIS 5 HD1 HIS 5 -14.091 8.072 -3.533
32 HD2 HIS 5 HD2 HIS 5 -13.872 7.352 0.538
33 HE1 HIS 5 HE1 HIS 5 -12.970 10.081 -2.547
34 H HIS 6 HN HIS 6 -14.656 3.960 -3.392
35 HA HIS 6 HA HIS 6 -15.958 1.444 -2.591
36 HB2 HIS 6 HB2 HIS 6 -17.404 2.947 -3.918
37 HB3 HIS 6 HB1 HIS 6 -16.173 3.043 -5.161
38 HD1 HIS 6 HD1 HIS 6 -16.416 1.425 -7.047
39 HD2 HIS 6 HD2 HIS 6 -18.562 0.273 -3.692
40 HE1 HIS 6 HE1 HIS 6 -17.758 -0.594 -7.744
41 H SER 7 HN SER 7 -13.517 2.958 -4.619
42 HA SER 7 HA SER 7 -12.656 0.601 -5.899
43 HB2 SER 7 HB2 SER 7 -11.186 3.198 -5.457
44 HB3 SER 7 HB1 SER 7 -10.856 1.994 -6.706
45 HG SER 7 HG SER 7 -13.115 2.409 -7.352
46 H CYS 8 HN CYS 8 -11.556 -0.965 -4.985
47 HA CYS 8 HA CYS 8 -9.779 -0.335 -2.762
48 HB2 CYS 8 HB2 CYS 8 -11.344 -2.868 -3.261
49 HB3 CYS 8 HB1 CYS 8 -10.183 -2.622 -1.962
50 H VAL 9 HN VAL 9 -7.780 -0.873 -3.023
51 HA VAL 9 HA VAL 9 -7.046 -2.235 -5.486
52 HB VAL 9 HB VAL 9 -5.255 -0.795 -3.499
53 HG11 VAL 9 HG11 VAL 9 -4.077 -2.297 -4.986
54 HG12 VAL 9 HG12 VAL 9 -3.700 -0.617 -5.366
55 HG13 VAL 9 3HG1 VAL 9 -4.819 -1.522 -6.386
56 HG21 VAL 9 HG21 VAL 9 -6.587 0.350 -5.960
57 HG22 VAL 9 HG22 VAL 9 -5.324 1.143 -5.014
58 HG23 VAL 9 HG23 VAL 9 -6.881 0.808 -4.275
59 HA PRO 10 HA PRO 10 -6.728 -5.917 -3.016
60 HB2 PRO 10 HB2 PRO 10 -5.148 -7.379 -4.692
61 HB3 PRO 10 HB1 PRO 10 -6.893 -7.173 -4.909
62 HG2 PRO 10 HG2 PRO 10 -4.627 -5.732 -6.230
63 HG3 PRO 10 HG1 PRO 10 -6.138 -6.324 -6.941
64 HD2 PRO 10 HD2 PRO 10 -5.781 -3.743 -6.340
65 HD3 PRO 10 HD1 PRO 10 -7.363 -4.527 -6.139
66 H SER 11 HN SER 11 -5.219 -7.341 -2.017
67 HA SER 11 HA SER 11 -2.910 -6.126 -0.956
68 HB2 SER 11 HB2 SER 11 -3.721 -9.038 -0.965
69 HB3 SER 11 HB1 SER 11 -2.650 -8.237 0.188
70 HG SER 11 HG SER 11 -4.502 -8.215 1.211
71 H GLY 12 HN GLY 12 -0.743 -6.575 -1.455
72 HA2 GLY 12 HA2 GLY 12 0.887 -7.931 -2.676
73 HA3 GLY 12 HA1 GLY 12 -0.313 -8.088 -3.957
74 H THR 13 HN THR 13 -1.081 -5.267 -3.446
75 HA THR 13 HA THR 13 0.364 -3.891 -5.392
76 HB THR 13 HB THR 13 -1.166 -2.793 -3.014
77 HG1 THR 13 HG1 THR 13 -2.746 -3.830 -3.978
78 HG21 THR 13 HG21 THR 13 -0.675 -1.588 -5.753
79 HG22 THR 13 HG22 THR 13 0.119 -1.072 -4.267
80 HG23 THR 13 HG23 THR 13 -1.621 -0.862 -4.455
81 H CYS 14 HN CYS 14 2.087 -2.298 -5.148
82 HA CYS 14 HA CYS 14 3.341 -2.570 -2.569
83 HB2 CYS 14 HB2 CYS 14 4.599 -3.694 -4.419
84 HB3 CYS 14 HB1 CYS 14 4.863 -2.103 -5.124
85 H ALA 15 HN ALA 15 4.885 -0.741 -2.057
86 HA ALA 15 HA ALA 15 4.062 1.821 -2.999
87 HB1 ALA 15 HB1 ALA 15 3.739 0.920 -0.127
88 HB2 ALA 15 HB2 ALA 15 2.435 1.391 -1.216
89 HB3 ALA 15 HB3 ALA 15 3.616 2.588 -0.685
90 H ASP 16 HN ASP 16 5.732 3.209 -2.652
91 HA ASP 16 HA ASP 16 8.192 1.937 -1.695
92 HB2 ASP 16 HB2 ASP 16 7.864 4.192 -3.681
93 HB3 ASP 16 HB1 ASP 16 9.384 3.454 -3.189
94 H PHE 17 HN PHE 17 8.551 2.635 0.277
95 HA PHE 17 HA PHE 17 7.903 5.398 0.912
96 HB2 PHE 17 HB2 PHE 17 8.522 3.010 2.673
97 HB3 PHE 17 HB1 PHE 17 8.207 4.625 3.287
98 HD1 PHE 17 HD1 PHE 17 5.967 5.672 2.714
99 HD2 PHE 17 HD2 PHE 17 6.781 1.523 2.303
100 HE1 PHE 17 HE1 PHE 17 3.570 5.216 2.742
101 HE2 PHE 17 HE2 PHE 17 4.369 1.042 2.330
102 HZ PHE 17 HZ PHE 17 2.751 2.889 2.549
103 HA PRO 18 HA PRO 18 12.251 6.217 1.076
104 HB2 PRO 18 HB2 PRO 18 12.449 8.067 3.050
105 HB3 PRO 18 HB1 PRO 18 11.740 8.440 1.477
106 HG2 PRO 18 HG2 PRO 18 10.405 7.908 4.078
107 HG3 PRO 18 HG1 PRO 18 9.937 9.017 2.781
108 HD2 PRO 18 HD2 PRO 18 8.830 6.536 3.253
109 HD3 PRO 18 HD1 PRO 18 8.714 7.392 1.715
110 H TRP 19 HN TRP 19 14.150 6.149 2.605
111 HA TRP 19 HA TRP 19 13.919 3.859 4.184
112 HB2 TRP 19 HB2 TRP 19 16.154 5.679 3.511
113 HB3 TRP 19 HB1 TRP 19 16.336 4.699 4.970
114 HD1 TRP 19 HD1 TRP 19 15.562 4.217 1.221
115 HE1 TRP 19 HE1 TRP 19 16.365 1.852 0.558
116 HE3 TRP 19 3HE TRP 19 17.089 2.543 5.795
117 HZ2 TRP 19 HZ2 TRP 19 17.470 -0.376 1.803
118 HZ3 TRP 19 HZ3 TRP 19 18.008 0.280 5.973
119 HH2 TRP 19 2HH TRP 19 18.201 -1.156 4.016
120 HA PRO 20 HA PRO 20 15.056 2.881 5.657
121 HB2 PRO 20 HB2 PRO 20 14.641 1.724 8.128
122 HB3 PRO 20 HB1 PRO 20 16.068 2.668 7.698
123 HG2 PRO 20 HG2 PRO 20 14.064 3.356 9.615
124 HG3 PRO 20 HG1 PRO 20 15.427 4.348 9.084
125 HD2 PRO 20 HD2 PRO 20 12.586 4.395 8.213
126 HD3 PRO 20 HD1 PRO 20 13.765 5.721 8.277
127 H LEU 21 HN LEU 21 12.035 3.707 5.864
128 HA LEU 21 HA LEU 21 10.614 1.323 6.395
129 HB2 LEU 21 HB2 LEU 21 10.117 3.690 4.696
130 HB3 LEU 21 HB1 LEU 21 8.845 2.505 5.036
131 HG LEU 21 HG LEU 21 10.242 4.290 7.051
132 HD11 LEU 21 HD11 LEU 21 8.810 5.566 5.579
133 HD12 LEU 21 HD12 LEU 21 8.073 5.441 7.180
134 HD13 LEU 21 HD13 LEU 21 7.488 4.437 5.851
135 HD21 LEU 21 HD21 LEU 21 8.509 3.518 8.603
136 HD22 LEU 21 HD22 LEU 21 9.507 2.179 8.038
137 HD23 LEU 21 HD23 LEU 21 7.893 2.425 7.365
138 H GLY 22 HN GLY 22 11.422 2.952 3.359
139 HA2 GLY 22 HA2 GLY 22 12.196 2.115 1.382
140 HA3 GLY 22 HA1 GLY 22 12.419 0.571 2.186
141 H HIS 23 HN HIS 23 11.618 -0.624 0.545
142 HA HIS 23 HA HIS 23 8.996 0.030 -0.551
143 HB2 HIS 23 HB2 HIS 23 10.703 -2.323 -1.391
144 HB3 HIS 23 HB1 HIS 23 9.476 -1.481 -2.328
145 HD1 HIS 23 HD1 HIS 23 10.286 0.723 -3.634
146 HD2 HIS 23 HD2 HIS 23 13.197 -1.134 -1.302
147 HE1 HIS 23 HE1 HIS 23 12.472 1.794 -4.235
148 H GLN 24 HN GLN 24 7.868 -0.419 1.326
149 HA GLN 24 HA GLN 24 7.943 -3.069 2.469
150 HB2 GLN 24 HB2 GLN 24 6.381 -0.614 3.186
151 HB3 GLN 24 HB1 GLN 24 6.138 -2.164 3.984
152 HG2 GLN 24 HG2 GLN 24 8.728 -0.654 3.846
153 HG3 GLN 24 HG1 GLN 24 7.644 -0.729 5.240
154 HE21 GLN 24 1HE2 GLN 24 10.410 -1.633 4.832
155 HE22 GLN 24 2HE2 GLN 24 10.420 -3.304 5.296
156 H CYS 25 HN CYS 25 6.017 -1.397 0.213
157 HA CYS 25 HA CYS 25 4.203 -1.953 -1.005
158 HB2 CYS 25 HB2 CYS 25 4.841 -4.776 -0.140
159 HB3 CYS 25 HB1 CYS 25 3.876 -4.335 -1.544
160 H PHE 26 HN PHE 26 2.107 -3.786 -0.693
161 HA PHE 26 HA PHE 26 1.056 -2.991 1.906
162 HB2 PHE 26 HB2 PHE 26 -0.335 -3.237 -0.751
163 HB3 PHE 26 HB1 PHE 26 -1.195 -3.131 0.778
164 HD1 PHE 26 HD1 PHE 26 0.353 -1.322 -1.865
165 HD2 PHE 26 HD2 PHE 26 -0.774 -1.114 2.219
166 HE1 PHE 26 HE1 PHE 26 0.439 1.132 -1.978
167 HE2 PHE 26 HE2 PHE 26 -0.695 1.347 2.126
168 HZ PHE 26 HZ PHE 26 -0.086 2.474 0.022
169 HA PRO 27 HA PRO 27 0.987 -7.513 2.627
170 HB2 PRO 27 HB2 PRO 27 -0.217 -6.098 4.981
171 HB3 PRO 27 HB1 PRO 27 0.845 -7.527 4.988
172 HG2 PRO 27 HG2 PRO 27 1.863 -5.199 5.597
173 HG3 PRO 27 HG1 PRO 27 2.730 -6.217 4.429
174 HD2 PRO 27 HD2 PRO 27 1.045 -3.802 3.949
175 HD3 PRO 27 HD1 PRO 27 2.544 -4.307 3.149
176 H ASP 28 HN ASP 28 -1.474 -5.168 3.586
177 HA ASP 28 HA ASP 28 -3.562 -6.888 2.459
178 HB2 ASP 28 HB2 ASP 28 -5.149 -5.899 4.053
179 HB3 ASP 28 HB1 ASP 28 -3.802 -6.609 4.929
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 -3.935 -4.294 1.829
2 HA2 GLY 1 HA2 GLY 1 -2.464 -2.822 0.173
3 HA3 GLY 1 HA1 GLY 1 -3.919 -3.119 -0.775
4 H PHE 2 HN PHE 2 -5.016 -1.336 -0.741
5 HA PHE 2 HA PHE 2 -5.952 -0.277 1.743
6 HB2 PHE 2 HB2 PHE 2 -5.284 2.076 1.051
7 HB3 PHE 2 HB1 PHE 2 -3.959 1.049 1.576
8 HD1 PHE 2 HD1 PHE 2 -2.372 0.129 -0.098
9 HD2 PHE 2 HD2 PHE 2 -5.370 2.955 -1.167
10 HE1 PHE 2 HE1 PHE 2 -1.162 0.614 -2.175
11 HE2 PHE 2 HE2 PHE 2 -4.162 3.438 -3.251
12 HZ PHE 2 HZ PHE 2 -2.055 2.264 -3.756
13 H CYS 3 HN CYS 3 -7.551 1.566 1.164
14 HA CYS 3 HA CYS 3 -8.763 1.131 -1.440
15 HB2 CYS 3 HB2 CYS 3 -9.771 -0.535 0.122
16 HB3 CYS 3 HB1 CYS 3 -10.242 0.783 1.184
17 H TRP 4 HN TRP 4 -9.467 3.034 -2.243
18 HA TRP 4 HA TRP 4 -8.942 5.390 -0.690
19 HB2 TRP 4 HB2 TRP 4 -10.083 5.105 -3.473
20 HB3 TRP 4 HB1 TRP 4 -9.597 6.624 -2.731
21 HD1 TRP 4 HD1 TRP 4 -6.855 6.621 -1.953
22 HE1 TRP 4 HE1 TRP 4 -4.867 5.779 -3.345
23 HE3 TRP 4 3HE TRP 4 -9.353 3.582 -5.191
24 HZ2 TRP 4 HZ2 TRP 4 -4.414 4.075 -5.528
25 HZ3 TRP 4 HZ3 TRP 4 -8.067 2.381 -6.911
26 HH2 TRP 4 2HH TRP 4 -5.647 2.627 -7.072
27 H HIS 5 HN HIS 5 -11.830 4.397 -2.473
28 HA HIS 5 HA HIS 5 -13.419 5.451 -0.236
29 HB2 HIS 5 HB2 HIS 5 -14.116 5.622 -3.196
30 HB3 HIS 5 HB1 HIS 5 -15.214 6.065 -1.894
31 HD1 HIS 5 HD1 HIS 5 -15.042 8.482 -1.115
32 HD2 HIS 5 HD2 HIS 5 -11.838 7.287 -3.457
33 HE1 HIS 5 HE1 HIS 5 -13.718 10.559 -1.587
34 H HIS 6 HN HIS 6 -14.537 3.854 -3.143
35 HA HIS 6 HA HIS 6 -15.049 1.425 -1.579
36 HB2 HIS 6 HB2 HIS 6 -16.446 2.448 -4.070
37 HB3 HIS 6 HB1 HIS 6 -16.806 0.935 -3.250
38 HD1 HIS 6 HD1 HIS 6 -17.733 4.469 -3.299
39 HD2 HIS 6 HD2 HIS 6 -17.866 1.328 -0.591
40 HE1 HIS 6 HE1 HIS 6 -19.342 5.166 -1.507
41 H SER 7 HN SER 7 -13.226 2.926 -3.932
42 HA SER 7 HA SER 7 -12.614 0.717 -5.552
43 HB2 SER 7 HB2 SER 7 -10.764 2.415 -6.145
44 HB3 SER 7 HB1 SER 7 -12.451 2.778 -6.534
45 HG SER 7 HG SER 7 -11.309 4.512 -5.503
46 H CYS 8 HN CYS 8 -11.843 -0.878 -4.407
47 HA CYS 8 HA CYS 8 -9.734 -0.327 -2.480
48 HB2 CYS 8 HB2 CYS 8 -11.454 -2.782 -2.783
49 HB3 CYS 8 HB1 CYS 8 -10.223 -2.531 -1.552
50 H VAL 9 HN VAL 9 -7.762 -0.868 -2.887
51 HA VAL 9 HA VAL 9 -7.056 -1.843 -5.450
52 HB VAL 9 HB VAL 9 -5.295 -1.315 -3.027
53 HG11 VAL 9 HG11 VAL 9 -4.622 -1.319 -5.961
54 HG12 VAL 9 HG12 VAL 9 -4.120 -2.528 -4.773
55 HG13 VAL 9 3HG1 VAL 9 -3.541 -0.862 -4.651
56 HG21 VAL 9 HG21 VAL 9 -6.154 0.581 -5.199
57 HG22 VAL 9 HG22 VAL 9 -4.961 0.925 -3.946
58 HG23 VAL 9 HG23 VAL 9 -6.644 0.633 -3.507
59 HA PRO 10 HA PRO 10 -7.063 -6.264 -4.718
60 HB2 PRO 10 HB2 PRO 10 -4.789 -6.822 -6.196
61 HB3 PRO 10 HB1 PRO 10 -6.435 -6.731 -6.847
62 HG2 PRO 10 HG2 PRO 10 -4.280 -4.658 -6.804
63 HG3 PRO 10 HG1 PRO 10 -5.427 -5.045 -8.101
64 HD2 PRO 10 HD2 PRO 10 -5.803 -2.922 -6.618
65 HD3 PRO 10 HD1 PRO 10 -7.190 -3.962 -7.005
66 H SER 11 HN SER 11 -5.768 -7.995 -3.876
67 HA SER 11 HA SER 11 -4.196 -7.200 -1.677
68 HB2 SER 11 HB2 SER 11 -4.664 -9.956 -2.822
69 HB3 SER 11 HB1 SER 11 -4.185 -9.554 -1.170
70 HG SER 11 HG SER 11 -6.220 -8.315 -1.098
71 H GLY 12 HN GLY 12 -2.030 -7.349 -1.426
72 HA2 GLY 12 HA2 GLY 12 0.156 -8.114 -1.876
73 HA3 GLY 12 HA1 GLY 12 -0.392 -8.660 -3.454
74 H THR 13 HN THR 13 -1.179 -5.501 -2.326
75 HA THR 13 HA THR 13 0.387 -4.361 -4.482
76 HB THR 13 HB THR 13 -1.616 -3.088 -2.589
77 HG1 THR 13 HG1 THR 13 -2.848 -4.321 -3.889
78 HG21 THR 13 HG21 THR 13 -0.428 -2.026 -5.174
79 HG22 THR 13 HG22 THR 13 0.004 -1.467 -3.563
80 HG23 THR 13 HG23 THR 13 -1.627 -1.205 -4.172
81 H CYS 14 HN CYS 14 2.053 -2.835 -4.160
82 HA CYS 14 HA CYS 14 2.923 -2.635 -1.402
83 HB2 CYS 14 HB2 CYS 14 4.409 -4.072 -2.775
84 HB3 CYS 14 HB1 CYS 14 4.677 -2.722 -3.873
85 H ALA 15 HN ALA 15 4.197 -0.637 -0.961
86 HA ALA 15 HA ALA 15 3.518 1.565 -2.718
87 HB1 ALA 15 HB1 ALA 15 1.849 1.573 -0.924
88 HB2 ALA 15 HB2 ALA 15 2.943 2.947 -0.758
89 HB3 ALA 15 HB3 ALA 15 3.134 1.535 0.283
90 H ASP 16 HN ASP 16 5.016 3.176 -2.690
91 HA ASP 16 HA ASP 16 7.669 2.351 -1.856
92 HB2 ASP 16 HB2 ASP 16 7.363 3.065 -4.151
93 HB3 ASP 16 HB1 ASP 16 6.700 4.602 -3.619
94 H PHE 17 HN PHE 17 8.106 2.865 0.180
95 HA PHE 17 HA PHE 17 7.272 5.452 1.215
96 HB2 PHE 17 HB2 PHE 17 8.242 2.905 2.508
97 HB3 PHE 17 HB1 PHE 17 8.145 4.405 3.412
98 HD1 PHE 17 HD1 PHE 17 6.044 5.336 4.022
99 HD2 PHE 17 HD2 PHE 17 6.232 1.757 1.754
100 HE1 PHE 17 HE1 PHE 17 3.688 4.936 4.494
101 HE2 PHE 17 HE2 PHE 17 3.855 1.326 2.226
102 HZ PHE 17 HZ PHE 17 2.570 2.919 3.598
103 HA PRO 18 HA PRO 18 11.396 7.096 1.026
104 HB2 PRO 18 HB2 PRO 18 11.648 8.371 3.416
105 HB3 PRO 18 HB1 PRO 18 10.648 8.998 2.100
106 HG2 PRO 18 HG2 PRO 18 9.824 7.426 4.510
107 HG3 PRO 18 HG1 PRO 18 9.074 8.874 3.818
108 HD2 PRO 18 HD2 PRO 18 8.085 6.433 3.367
109 HD3 PRO 18 HD1 PRO 18 8.049 7.671 2.105
110 H TRP 19 HN TRP 19 13.522 7.055 2.179
111 HA TRP 19 HA TRP 19 13.860 4.447 3.287
112 HB2 TRP 19 HB2 TRP 19 15.696 6.490 2.187
113 HB3 TRP 19 HB1 TRP 19 16.366 5.375 3.384
114 HD1 TRP 19 HD1 TRP 19 14.495 5.248 -0.006
115 HE1 TRP 19 HE1 TRP 19 15.123 3.027 -1.146
116 HE3 TRP 19 3HE TRP 19 17.389 3.218 3.687
117 HZ2 TRP 19 HZ2 TRP 19 16.626 0.746 -0.548
118 HZ3 TRP 19 HZ3 TRP 19 18.390 1.009 3.319
119 HH2 TRP 19 2HH TRP 19 18.023 -0.205 1.238
120 HA PRO 20 HA PRO 20 15.392 3.356 4.260
121 HB2 PRO 20 HB2 PRO 20 16.058 1.966 6.398
122 HB3 PRO 20 HB1 PRO 20 17.002 3.397 5.961
123 HG2 PRO 20 HG2 PRO 20 15.011 3.047 8.150
124 HG3 PRO 20 HG1 PRO 20 16.459 4.066 8.104
125 HD2 PRO 20 HD2 PRO 20 13.758 4.846 7.599
126 HD3 PRO 20 HD1 PRO 20 15.211 5.843 7.418
127 H LEU 21 HN LEU 21 12.503 3.938 5.226
128 HA LEU 21 HA LEU 21 11.395 1.465 6.044
129 HB2 LEU 21 HB2 LEU 21 10.341 3.768 4.485
130 HB3 LEU 21 HB1 LEU 21 9.289 2.461 5.032
131 HG LEU 21 HG LEU 21 10.844 4.340 6.841
132 HD11 LEU 21 HD11 LEU 21 8.678 5.361 7.303
133 HD12 LEU 21 HD12 LEU 21 7.923 4.309 6.101
134 HD13 LEU 21 HD13 LEU 21 9.110 5.518 5.600
135 HD21 LEU 21 HD21 LEU 21 9.407 3.430 8.598
136 HD22 LEU 21 HD22 LEU 21 10.384 2.164 7.853
137 HD23 LEU 21 HD23 LEU 21 8.677 2.328 7.430
138 H GLY 22 HN GLY 22 11.615 3.069 2.902
139 HA2 GLY 22 HA2 GLY 22 11.883 2.269 0.784
140 HA3 GLY 22 HA1 GLY 22 12.396 0.746 1.494
141 H HIS 23 HN HIS 23 11.249 -0.818 0.634
142 HA HIS 23 HA HIS 23 8.502 -0.313 -0.089
143 HB2 HIS 23 HB2 HIS 23 10.222 -2.762 -0.531
144 HB3 HIS 23 HB1 HIS 23 8.571 -2.571 -1.103
145 HD1 HIS 23 HD1 HIS 23 11.988 -2.146 -2.220
146 HD2 HIS 23 HD2 HIS 23 8.359 -0.248 -2.923
147 HE1 HIS 23 HE1 HIS 23 12.270 -0.879 -4.355
148 H GLN 24 HN GLN 24 7.668 -0.086 1.917
149 HA GLN 24 HA GLN 24 7.725 -2.157 3.895
150 HB2 GLN 24 HB2 GLN 24 5.762 0.105 3.483
151 HB3 GLN 24 HB1 GLN 24 5.704 -0.992 4.851
152 HG2 GLN 24 HG2 GLN 24 8.042 0.779 4.181
153 HG3 GLN 24 HG1 GLN 24 6.778 1.184 5.343
154 HE21 GLN 24 1HE2 GLN 24 6.666 0.035 7.245
155 HE22 GLN 24 2HE2 GLN 24 7.966 -0.901 7.866
156 H CYS 25 HN CYS 25 5.577 -1.303 1.299
157 HA CYS 25 HA CYS 25 3.985 -2.347 0.148
158 HB2 CYS 25 HB2 CYS 25 5.195 -4.875 1.282
159 HB3 CYS 25 HB1 CYS 25 4.103 -4.804 -0.098
160 H PHE 26 HN PHE 26 2.061 -4.159 0.396
161 HA PHE 26 HA PHE 26 1.107 -4.141 3.135
162 HB2 PHE 26 HB2 PHE 26 -0.413 -3.250 0.680
163 HB3 PHE 26 HB1 PHE 26 -1.207 -3.698 2.183
164 HD1 PHE 26 HD1 PHE 26 -0.721 -2.362 4.228
165 HD2 PHE 26 HD2 PHE 26 0.465 -1.103 0.349
166 HE1 PHE 26 HE1 PHE 26 -0.489 -0.046 5.057
167 HE2 PHE 26 HE2 PHE 26 0.706 1.210 1.160
168 HZ PHE 26 HZ PHE 26 0.228 1.740 3.518
169 HA PRO 27 HA PRO 27 0.241 -8.464 2.176
170 HB2 PRO 27 HB2 PRO 27 -2.035 -7.976 4.043
171 HB3 PRO 27 HB1 PRO 27 -0.817 -9.266 4.091
172 HG2 PRO 27 HG2 PRO 27 -0.681 -7.283 5.812
173 HG3 PRO 27 HG1 PRO 27 0.797 -7.845 5.009
174 HD2 PRO 27 HD2 PRO 27 -0.868 -5.425 4.419
175 HD3 PRO 27 HD1 PRO 27 0.900 -5.591 4.488
176 H ASP 28 HN ASP 28 -2.538 -6.320 2.686
177 HA ASP 28 HA ASP 28 -3.789 -7.505 0.341
178 HB2 ASP 28 HB2 ASP 28 -5.221 -7.524 2.340
179 HB3 ASP 28 HB1 ASP 28 -5.009 -5.791 2.534