NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570638 |
2m7d   |
19183 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HT1 ASP 1 -5.139 -4.225 6.710
2 H2 ASP 1 HT2 ASP 1 -4.718 -4.962 5.220
3 H3 ASP 1 HT3 ASP 1 -5.536 -5.867 6.424
4 HA ASP 1 HA ASP 1 -7.135 -5.362 4.885
5 HB2 ASP 1 HB2 ASP 1 -8.664 -3.981 6.157
6 HB3 ASP 1 HB3 ASP 1 -7.707 -4.946 7.275
7 H ALA 2 H ALA 2 -5.262 -2.438 5.649
8 HA ALA 2 HA ALA 2 -5.814 -1.459 2.940
9 HB1 ALA 2 HB1 ALA 2 -7.146 -0.386 5.027
10 HB2 ALA 2 HB2 ALA 2 -6.714 0.509 3.571
11 HB3 ALA 2 HB3 ALA 2 -5.707 0.631 5.012
12 H TYR 3 H TYR 3 -4.088 -0.250 5.826
13 HA TYR 3 HA TYR 3 -1.851 0.626 4.302
14 HB2 TYR 3 HB2 TYR 3 -2.728 1.389 6.670
15 HB3 TYR 3 HB3 TYR 3 -1.630 0.138 7.242
16 HD1 TYR 3 HD1 TYR 3 -1.863 3.403 5.544
17 HD2 TYR 3 HD2 TYR 3 0.760 0.408 7.073
18 HE1 TYR 3 HE1 TYR 3 0.015 4.979 5.419
19 HE2 TYR 3 HE2 TYR 3 2.644 1.979 6.928
20 HH TYR 3 HH TYR 3 2.861 4.441 5.195
21 H ALA 4 H ALA 4 -2.288 -2.103 6.568
22 HA ALA 4 HA ALA 4 0.278 -3.223 6.133
23 HB1 ALA 4 HB1 ALA 4 -2.196 -4.731 6.973
24 HB2 ALA 4 HB2 ALA 4 -1.258 -3.719 8.070
25 HB3 ALA 4 HB3 ALA 4 -0.514 -5.131 7.320
26 H GLN 5 H GLN 5 -2.828 -3.540 4.509
27 HA GLN 5 HA GLN 5 -2.157 -5.778 2.893
28 HB2 GLN 5 HB2 GLN 5 -4.480 -5.159 3.271
29 HB3 GLN 5 HB3 GLN 5 -4.217 -3.591 2.521
30 HG2 GLN 5 HG2 GLN 5 -5.328 -4.901 0.923
31 HG3 GLN 5 HG3 GLN 5 -3.644 -4.832 0.409
32 HE21 GLN 5 HE21 GLN 5 -2.595 -6.688 0.055
33 HE22 GLN 5 HE22 GLN 5 -3.194 -8.259 0.452
34 H TRP 6 H TRP 6 -1.896 -2.276 2.506
35 HA TRP 6 HA TRP 6 -1.140 -2.190 -0.196
36 HB2 TRP 6 HB2 TRP 6 -1.800 -0.184 1.046
37 HB3 TRP 6 HB3 TRP 6 -0.383 -0.332 2.072
38 HD1 TRP 6 HD1 TRP 6 -1.224 0.282 -1.648
39 HE1 TRP 6 HE1 TRP 6 0.622 1.751 -2.648
40 HE3 TRP 6 HE3 TRP 6 1.879 0.569 2.404
41 HZ2 TRP 6 HZ2 TRP 6 3.062 2.896 -1.847
42 HZ3 TRP 6 HZ3 TRP 6 3.952 1.890 2.204
43 HH2 TRP 6 HH2 TRP 6 4.523 3.040 0.119
44 H LEU 7 H LEU 7 0.820 -2.300 2.760
45 HA LEU 7 HA LEU 7 3.336 -2.351 1.483
46 HB2 LEU 7 HB2 LEU 7 2.514 -3.401 4.193
47 HB3 LEU 7 HB3 LEU 7 4.170 -3.173 3.668
48 HG LEU 7 HG LEU 7 2.222 -0.882 3.748
49 HD11 LEU 7 HD11 LEU 7 4.056 -1.722 5.986
50 HD12 LEU 7 HD12 LEU 7 2.308 -1.954 5.975
51 HD13 LEU 7 HD13 LEU 7 2.981 -0.325 5.958
52 HD21 LEU 7 HD21 LEU 7 4.164 -0.362 2.502
53 HD22 LEU 7 HD22 LEU 7 5.220 -1.133 3.687
54 HD23 LEU 7 HD23 LEU 7 4.391 0.371 4.091
55 H ALA 8 H ALA 8 1.076 -4.885 2.423
56 HA ALA 8 HA ALA 8 2.850 -7.057 1.825
57 HB1 ALA 8 HB1 ALA 8 0.606 -8.358 1.908
58 HB2 ALA 8 HB2 ALA 8 -0.051 -6.837 2.514
59 HB3 ALA 8 HB3 ALA 8 1.252 -7.645 3.386
60 H ASP 9 H ASP 9 0.829 -5.015 -0.071
61 HA ASP 9 HA ASP 9 0.538 -6.924 -2.243
62 HB2 ASP 9 HB2 ASP 9 -0.867 -4.614 -1.422
63 HB3 ASP 9 HB3 ASP 9 -0.167 -4.231 -2.991
64 H DAL 10 H DAL 10 3.191 -5.590 -1.261
65 HA DAL 10 HA DAL 10 4.174 -4.994 -3.962
66 HB1 DAL 10 HB1 DAL 10 5.746 -5.773 -1.516
67 HB2 DAL 10 HB2 DAL 10 6.349 -5.649 -3.169
68 HB3 DAL 10 HB3 DAL 10 5.180 -6.901 -2.747
69 H GLY 11 H GLY 11 3.097 -3.280 -1.405
70 HA2 GLY 11 HA2 GLY 11 3.473 -1.176 -0.566
71 HA3 GLY 11 HA3 GLY 11 5.180 -1.426 -0.902
72 H TRP 12 H TRP 12 6.084 -0.578 -2.741
73 HA TRP 12 HA TRP 12 4.387 1.332 -4.162
74 HB2 TRP 12 HB2 TRP 12 7.320 1.159 -3.612
75 HB3 TRP 12 HB3 TRP 12 6.762 2.103 -4.994
76 HD1 TRP 12 HD1 TRP 12 7.471 2.496 -1.440
77 HE1 TRP 12 HE1 TRP 12 6.317 4.581 -0.468
78 HE3 TRP 12 HE3 TRP 12 4.244 3.514 -5.285
79 HZ2 TRP 12 HZ2 TRP 12 4.298 6.387 -1.217
80 HZ3 TRP 12 HZ3 TRP 12 2.748 5.448 -5.083
81 HH2 TRP 12 HH2 TRP 12 2.774 6.862 -3.087
82 H ALA 13 H ALA 13 4.851 -1.722 -4.670
83 HA ALA 13 HA ALA 13 5.762 -1.664 -7.429
84 HB1 ALA 13 HB1 ALA 13 5.407 -3.707 -5.389
85 HB2 ALA 13 HB2 ALA 13 6.470 -3.680 -6.794
86 HB3 ALA 13 HB3 ALA 13 4.795 -4.200 -6.968
87 H SER 14 H SER 14 2.817 -1.883 -5.564
88 HA SER 14 HA SER 14 1.052 -2.705 -7.599
89 HB2 SER 14 HB2 SER 14 -0.612 -1.321 -6.043
90 HB3 SER 14 HB3 SER 14 0.047 -2.871 -5.528
91 HG SER 14 HG SER 14 1.203 -1.896 -4.042
92 H DAL 15 H DAL 15 2.469 0.389 -6.814
93 HA DAL 15 HA DAL 15 1.230 1.533 -9.211
94 HB1 DAL 15 HB1 DAL 15 3.814 1.825 -7.883
95 HB2 DAL 15 HB2 DAL 15 3.109 3.343 -8.436
96 HB3 DAL 15 HB3 DAL 15 3.373 2.027 -9.578
97 H ARG 16 H ARG 16 -0.066 1.315 -6.504
98 HA ARG 16 HA ARG 16 -1.073 4.039 -6.408
99 HB2 ARG 16 HB2 ARG 16 -2.895 3.162 -5.186
100 HB3 ARG 16 HB3 ARG 16 -2.495 1.862 -6.306
101 HG2 ARG 16 HG2 ARG 16 -0.996 1.056 -4.287
102 HG3 ARG 16 HG3 ARG 16 -2.164 1.999 -3.357
103 HD2 ARG 16 HD2 ARG 16 -3.991 0.729 -4.439
104 HD3 ARG 16 HD3 ARG 16 -2.783 -0.248 -5.269
105 HE ARG 16 HE ARG 16 -2.434 -1.420 -3.336
106 HH11 ARG 16 HH11 ARG 16 -4.240 1.482 -2.566
107 HH12 ARG 16 HH12 ARG 16 -4.574 0.988 -0.941
108 HH21 ARG 16 HH21 ARG 16 -2.881 -2.064 -1.196
109 HH22 ARG 16 HH22 ARG 16 -3.802 -1.023 -0.162
110 HA PRO 17 HA PRO 17 1.199 5.116 -2.752
111 HB2 PRO 17 HB2 PRO 17 -0.615 7.139 -1.944
112 HB3 PRO 17 HB3 PRO 17 0.828 7.330 -2.942
113 HG2 PRO 17 HG2 PRO 17 -1.811 7.686 -3.787
114 HG3 PRO 17 HG3 PRO 17 -0.401 7.489 -4.840
115 HD2 PRO 17 HD2 PRO 17 -2.459 5.489 -4.034
116 HD3 PRO 17 HD3 PRO 17 -1.575 5.654 -5.561
117 HA PRO 18 HA PRO 18 -0.363 3.314 0.934
118 HB2 PRO 18 HB2 PRO 18 0.326 5.217 2.822
119 HB3 PRO 18 HB3 PRO 18 1.407 3.980 2.195
120 HG2 PRO 18 HG2 PRO 18 1.177 6.854 1.468
121 HG3 PRO 18 HG3 PRO 18 2.619 5.828 1.552
122 HD2 PRO 18 HD2 PRO 18 1.462 6.528 -0.787
123 HD3 PRO 18 HD3 PRO 18 2.287 4.975 -0.558
124 HA PRO 19 HA PRO 19 -4.288 5.230 1.754
125 HB2 PRO 19 HB2 PRO 19 -5.193 3.408 3.568
126 HB3 PRO 19 HB3 PRO 19 -5.160 3.145 1.836
127 HG2 PRO 19 HG2 PRO 19 -3.476 1.977 3.904
128 HG3 PRO 19 HG3 PRO 19 -3.843 1.386 2.285
129 HD2 PRO 19 HD2 PRO 19 -1.470 2.699 3.131
130 HD3 PRO 19 HD3 PRO 19 -1.926 2.223 1.487
131 H SER 20 H SER 20 -4.503 7.018 2.923
132 HA SER 20 HA SER 20 -3.567 7.020 5.715
133 HB2 SER 20 HB2 SER 20 -3.552 9.535 5.452
134 HB3 SER 20 HB3 SER 20 -2.377 8.675 4.459
135 HG SER 20 HG SER 20 -3.415 9.262 2.705
Start of MODEL 2
1 H1 ASP 1 HT1 ASP 1 -9.381 -1.435 7.709
2 H2 ASP 1 HT2 ASP 1 -9.249 -2.800 6.677
3 H3 ASP 1 HT3 ASP 1 -9.242 -1.216 6.015
4 HA ASP 1 HA ASP 1 -7.195 -0.735 7.120
5 HB2 ASP 1 HB2 ASP 1 -7.824 -2.503 8.940
6 HB3 ASP 1 HB3 ASP 1 -7.014 -3.641 7.869
7 H ALA 2 H ALA 2 -6.055 -0.464 5.315
8 HA ALA 2 HA ALA 2 -5.448 -2.830 3.667
9 HB1 ALA 2 HB1 ALA 2 -5.829 -1.687 1.676
10 HB2 ALA 2 HB2 ALA 2 -5.790 -0.109 2.462
11 HB3 ALA 2 HB3 ALA 2 -7.166 -1.183 2.710
12 H TYR 3 H TYR 3 -4.025 -0.859 5.753
13 HA TYR 3 HA TYR 3 -1.821 0.180 4.281
14 HB2 TYR 3 HB2 TYR 3 -2.743 0.814 6.670
15 HB3 TYR 3 HB3 TYR 3 -1.588 -0.403 7.199
16 HD1 TYR 3 HD1 TYR 3 -1.973 2.905 5.615
17 HD2 TYR 3 HD2 TYR 3 0.787 -0.014 7.045
18 HE1 TYR 3 HE1 TYR 3 -0.171 4.569 5.543
19 HE2 TYR 3 HE2 TYR 3 2.596 1.647 6.952
20 HH TYR 3 HH TYR 3 2.712 4.157 5.305
21 H ALA 4 H ALA 4 -2.084 -2.614 6.500
22 HA ALA 4 HA ALA 4 0.523 -3.586 6.019
23 HB1 ALA 4 HB1 ALA 4 -0.398 -5.755 6.902
24 HB2 ALA 4 HB2 ALA 4 -1.976 -4.972 6.981
25 HB3 ALA 4 HB3 ALA 4 -0.638 -4.359 7.952
26 H GLN 5 H GLN 5 -2.565 -4.096 4.394
27 HA GLN 5 HA GLN 5 -1.743 -6.207 2.696
28 HB2 GLN 5 HB2 GLN 5 -4.107 -5.703 3.135
29 HB3 GLN 5 HB3 GLN 5 -3.934 -4.151 2.329
30 HG2 GLN 5 HG2 GLN 5 -4.941 -5.506 0.738
31 HG3 GLN 5 HG3 GLN 5 -3.241 -5.497 0.279
32 HE21 GLN 5 HE21 GLN 5 -2.000 -7.360 0.584
33 HE22 GLN 5 HE22 GLN 5 -2.726 -8.906 0.846
34 H TRP 6 H TRP 6 -1.713 -2.682 2.411
35 HA TRP 6 HA TRP 6 -0.980 -2.466 -0.290
36 HB2 TRP 6 HB2 TRP 6 -1.737 -0.539 1.020
37 HB3 TRP 6 HB3 TRP 6 -0.306 -0.642 2.031
38 HD1 TRP 6 HD1 TRP 6 -1.211 0.054 -1.662
39 HE1 TRP 6 HE1 TRP 6 0.540 1.663 -2.617
40 HE3 TRP 6 HE3 TRP 6 1.913 0.361 2.375
41 HZ2 TRP 6 HZ2 TRP 6 2.920 2.913 -1.791
42 HZ3 TRP 6 HZ3 TRP 6 3.908 1.801 2.208
43 HH2 TRP 6 HH2 TRP 6 4.392 3.061 0.166
44 H LEU 7 H LEU 7 0.998 -2.570 2.650
45 HA LEU 7 HA LEU 7 3.507 -2.437 1.367
46 HB2 LEU 7 HB2 LEU 7 2.755 -3.620 4.042
47 HB3 LEU 7 HB3 LEU 7 4.393 -3.281 3.523
48 HG LEU 7 HG LEU 7 2.315 -1.112 3.687
49 HD11 LEU 7 HD11 LEU 7 2.503 -2.262 5.875
50 HD12 LEU 7 HD12 LEU 7 3.049 -0.586 5.906
51 HD13 LEU 7 HD13 LEU 7 4.228 -1.897 5.876
52 HD21 LEU 7 HD21 LEU 7 4.407 0.258 4.046
53 HD22 LEU 7 HD22 LEU 7 4.208 -0.438 2.438
54 HD23 LEU 7 HD23 LEU 7 5.321 -1.179 3.589
55 H ALA 8 H ALA 8 1.403 -5.131 2.226
56 HA ALA 8 HA ALA 8 3.302 -7.170 1.548
57 HB1 ALA 8 HB1 ALA 8 1.847 -8.143 2.957
58 HB2 ALA 8 HB2 ALA 8 0.919 -8.455 1.490
59 HB3 ALA 8 HB3 ALA 8 0.525 -7.066 2.503
60 H ASP 9 H ASP 9 1.159 -5.188 -0.272
61 HA ASP 9 HA ASP 9 0.972 -7.045 -2.503
62 HB2 ASP 9 HB2 ASP 9 -0.385 -4.574 -1.696
63 HB3 ASP 9 HB3 ASP 9 -0.012 -4.622 -3.415
64 H DAL 10 H DAL 10 3.540 -5.580 -1.497
65 HA DAL 10 HA DAL 10 4.457 -4.828 -4.182
66 HB1 DAL 10 HB1 DAL 10 6.684 -5.354 -3.407
67 HB2 DAL 10 HB2 DAL 10 5.601 -6.704 -3.070
68 HB3 DAL 10 HB3 DAL 10 6.080 -5.612 -1.770
69 H GLY 11 H GLY 11 3.286 -3.271 -1.576
70 HA2 GLY 11 HA2 GLY 11 3.529 -1.177 -0.666
71 HA3 GLY 11 HA3 GLY 11 5.248 -1.309 -1.006
72 H TRP 12 H TRP 12 6.097 -0.342 -2.809
73 HA TRP 12 HA TRP 12 4.299 1.522 -4.159
74 HB2 TRP 12 HB2 TRP 12 7.243 1.463 -3.642
75 HB3 TRP 12 HB3 TRP 12 6.626 2.432 -4.981
76 HD1 TRP 12 HD1 TRP 12 7.350 2.709 -1.415
77 HE1 TRP 12 HE1 TRP 12 6.123 4.707 -0.354
78 HE3 TRP 12 HE3 TRP 12 4.061 3.756 -5.200
79 HZ2 TRP 12 HZ2 TRP 12 4.031 6.461 -1.018
80 HZ3 TRP 12 HZ3 TRP 12 2.495 5.623 -4.913
81 HH2 TRP 12 HH2 TRP 12 2.478 6.953 -2.860
82 H ALA 13 H ALA 13 5.072 -1.514 -4.770
83 HA ALA 13 HA ALA 13 5.893 -1.279 -7.535
84 HB1 ALA 13 HB1 ALA 13 4.917 -3.894 -6.800
85 HB2 ALA 13 HB2 ALA 13 6.079 -3.288 -5.620
86 HB3 ALA 13 HB3 ALA 13 6.526 -3.396 -7.322
87 H SER 14 H SER 14 2.968 -1.751 -5.677
88 HA SER 14 HA SER 14 1.264 -2.607 -7.752
89 HB2 SER 14 HB2 SER 14 -0.499 -1.402 -6.171
90 HB3 SER 14 HB3 SER 14 0.273 -2.908 -5.687
91 HG SER 14 HG SER 14 1.361 -1.882 -4.178
92 H DAL 15 H DAL 15 2.482 0.531 -6.829
93 HA DAL 15 HA DAL 15 1.206 1.692 -9.201
94 HB1 DAL 15 HB1 DAL 15 3.048 2.926 -9.509
95 HB2 DAL 15 HB2 DAL 15 3.800 1.725 -8.460
96 HB3 DAL 15 HB3 DAL 15 3.246 3.259 -7.788
97 H ARG 16 H ARG 16 -0.097 1.318 -6.523
98 HA ARG 16 HA ARG 16 -1.207 3.996 -6.332
99 HB2 ARG 16 HB2 ARG 16 -3.018 3.016 -5.193
100 HB3 ARG 16 HB3 ARG 16 -2.543 1.756 -6.329
101 HG2 ARG 16 HG2 ARG 16 -1.138 0.817 -4.395
102 HG3 ARG 16 HG3 ARG 16 -2.109 1.877 -3.366
103 HD2 ARG 16 HD2 ARG 16 -4.146 0.815 -4.476
104 HD3 ARG 16 HD3 ARG 16 -3.037 -0.405 -5.094
105 HE ARG 16 HE ARG 16 -3.818 0.009 -2.307
106 HH11 ARG 16 HH11 ARG 16 -1.907 -1.796 -4.627
107 HH12 ARG 16 HH12 ARG 16 -1.634 -3.121 -3.550
108 HH21 ARG 16 HH21 ARG 16 -3.450 -1.742 -0.898
109 HH22 ARG 16 HH22 ARG 16 -2.511 -3.094 -1.437
110 HA PRO 17 HA PRO 17 0.981 5.039 -2.619
111 HB2 PRO 17 HB2 PRO 17 -0.949 6.927 -1.744
112 HB3 PRO 17 HB3 PRO 17 0.498 7.237 -2.706
113 HG2 PRO 17 HG2 PRO 17 -2.136 7.502 -3.587
114 HG3 PRO 17 HG3 PRO 17 -0.704 7.405 -4.623
115 HD2 PRO 17 HD2 PRO 17 -2.684 5.287 -3.921
116 HD3 PRO 17 HD3 PRO 17 -1.789 5.550 -5.429
117 HA PRO 18 HA PRO 18 -0.505 3.041 0.999
118 HB2 PRO 18 HB2 PRO 18 0.112 4.877 2.961
119 HB3 PRO 18 HB3 PRO 18 1.252 3.738 2.260
120 HG2 PRO 18 HG2 PRO 18 0.842 6.628 1.678
121 HG3 PRO 18 HG3 PRO 18 2.347 5.692 1.713
122 HD2 PRO 18 HD2 PRO 18 1.135 6.424 -0.590
123 HD3 PRO 18 HD3 PRO 18 2.062 4.920 -0.434
124 HA PRO 19 HA PRO 19 -4.498 4.750 1.925
125 HB2 PRO 19 HB2 PRO 19 -5.299 2.820 3.675
126 HB3 PRO 19 HB3 PRO 19 -5.276 2.628 1.934
127 HG2 PRO 19 HG2 PRO 19 -3.523 1.449 3.935
128 HG3 PRO 19 HG3 PRO 19 -3.874 0.916 2.292
129 HD2 PRO 19 HD2 PRO 19 -1.558 2.303 3.188
130 HD3 PRO 19 HD3 PRO 19 -1.998 1.867 1.530
131 H SER 20 H SER 20 -4.731 6.500 3.147
132 HA SER 20 HA SER 20 -4.690 6.317 6.012
133 HB2 SER 20 HB2 SER 20 -2.361 7.363 4.602
134 HB3 SER 20 HB3 SER 20 -3.034 8.526 5.744
135 HG SER 20 HG SER 20 -2.633 7.169 7.388
Start of MODEL 3
1 H1 ASP 1 HT1 ASP 1 -8.758 -3.801 6.419
2 H2 ASP 1 HT2 ASP 1 -8.165 -4.968 7.529
3 H3 ASP 1 HT3 ASP 1 -8.061 -5.256 5.840
4 HA ASP 1 HA ASP 1 -6.674 -3.135 7.342
5 HB2 ASP 1 HB2 ASP 1 -6.022 -5.914 6.582
6 HB3 ASP 1 HB3 ASP 1 -4.765 -4.732 6.229
7 H ALA 2 H ALA 2 -5.462 -1.717 6.131
8 HA ALA 2 HA ALA 2 -5.693 -1.922 3.200
9 HB1 ALA 2 HB1 ALA 2 -7.278 -0.254 4.282
10 HB2 ALA 2 HB2 ALA 2 -6.253 0.345 2.978
11 HB3 ALA 2 HB3 ALA 2 -5.842 0.698 4.656
12 H TYR 3 H TYR 3 -4.016 -0.142 5.808
13 HA TYR 3 HA TYR 3 -1.791 0.608 4.245
14 HB2 TYR 3 HB2 TYR 3 -2.602 1.427 6.619
15 HB3 TYR 3 HB3 TYR 3 -1.502 0.178 7.190
16 HD1 TYR 3 HD2 TYR 3 0.901 0.390 6.857
17 HD2 TYR 3 HD1 TYR 3 -1.765 3.447 5.541
18 HE1 TYR 3 HE2 TYR 3 2.793 1.944 6.643
19 HE2 TYR 3 HE1 TYR 3 0.122 5.006 5.348
20 HH TYR 3 HH TYR 3 2.787 4.872 6.704
21 H ALA 4 H ALA 4 -2.264 -2.120 6.480
22 HA ALA 4 HA ALA 4 0.318 -3.238 6.071
23 HB1 ALA 4 HB1 ALA 4 -0.641 -5.264 7.118
24 HB2 ALA 4 HB2 ALA 4 -2.236 -4.515 7.054
25 HB3 ALA 4 HB3 ALA 4 -0.966 -3.800 8.046
26 H GLN 5 H GLN 5 -2.776 -3.527 4.418
27 HA GLN 5 HA GLN 5 -2.085 -5.794 2.832
28 HB2 GLN 5 HB2 GLN 5 -4.416 -5.223 3.189
29 HB3 GLN 5 HB3 GLN 5 -4.179 -3.644 2.454
30 HG2 GLN 5 HG2 GLN 5 -5.295 -5.095 0.903
31 HG3 GLN 5 HG3 GLN 5 -3.673 -4.737 0.317
32 HE21 GLN 5 HE21 GLN 5 -2.535 -6.402 -0.392
33 HE22 GLN 5 HE22 GLN 5 -2.793 -8.058 0.027
34 H TRP 6 H TRP 6 -1.851 -2.295 2.430
35 HA TRP 6 HA TRP 6 -1.104 -2.199 -0.271
36 HB2 TRP 6 HB2 TRP 6 -1.753 -0.198 0.985
37 HB3 TRP 6 HB3 TRP 6 -0.332 -0.354 2.005
38 HD1 TRP 6 HD1 TRP 6 -1.168 0.251 -1.718
39 HE1 TRP 6 HE1 TRP 6 0.663 1.742 -2.713
40 HE3 TRP 6 HE3 TRP 6 1.914 0.585 2.347
41 HZ2 TRP 6 HZ2 TRP 6 3.085 2.917 -1.904
42 HZ3 TRP 6 HZ3 TRP 6 3.973 1.928 2.150
43 HH2 TRP 6 HH2 TRP 6 4.537 3.082 0.066
44 H LEU 7 H LEU 7 0.878 -2.313 2.674
45 HA LEU 7 HA LEU 7 3.385 -2.367 1.387
46 HB2 LEU 7 HB2 LEU 7 2.541 -3.399 4.096
47 HB3 LEU 7 HB3 LEU 7 4.206 -3.259 3.572
48 HG LEU 7 HG LEU 7 2.369 -0.879 3.656
49 HD11 LEU 7 HD11 LEU 7 4.237 -1.734 5.855
50 HD12 LEU 7 HD12 LEU 7 2.492 -1.992 5.886
51 HD13 LEU 7 HD13 LEU 7 3.141 -0.352 5.846
52 HD21 LEU 7 HD21 LEU 7 4.225 -0.276 2.429
53 HD22 LEU 7 HD22 LEU 7 5.304 -1.331 3.342
54 HD23 LEU 7 HD23 LEU 7 4.722 0.170 4.061
55 H ALA 8 H ALA 8 1.127 -4.907 2.317
56 HA ALA 8 HA ALA 8 2.887 -7.082 1.720
57 HB1 ALA 8 HB1 ALA 8 0.695 -8.403 1.783
58 HB2 ALA 8 HB2 ALA 8 -0.058 -6.881 2.261
59 HB3 ALA 8 HB3 ALA 8 1.208 -7.592 3.262
60 H ASP 9 H ASP 9 0.857 -5.035 -0.193
61 HA ASP 9 HA ASP 9 0.644 -6.918 -2.392
62 HB2 ASP 9 HB2 ASP 9 -0.914 -4.804 -1.564
63 HB3 ASP 9 HB3 ASP 9 -0.064 -4.126 -2.948
64 H DAL 10 H DAL 10 3.276 -5.594 -1.369
65 HA DAL 10 HA DAL 10 4.281 -4.955 -4.049
66 HB1 DAL 10 HB1 DAL 10 5.297 -6.858 -2.854
67 HB2 DAL 10 HB2 DAL 10 5.822 -5.748 -1.588
68 HB3 DAL 10 HB3 DAL 10 6.459 -5.583 -3.224
69 H GLY 11 H GLY 11 3.177 -3.263 -1.477
70 HA2 GLY 11 HA2 GLY 11 3.531 -1.157 -0.633
71 HA3 GLY 11 HA3 GLY 11 5.242 -1.395 -0.961
72 H TRP 12 H TRP 12 6.151 -0.515 -2.778
73 HA TRP 12 HA TRP 12 4.448 1.382 -4.205
74 HB2 TRP 12 HB2 TRP 12 7.374 1.235 -3.624
75 HB3 TRP 12 HB3 TRP 12 6.828 2.171 -5.016
76 HD1 TRP 12 HD1 TRP 12 7.500 2.594 -1.463
77 HE1 TRP 12 HE1 TRP 12 6.308 4.666 -0.510
78 HE3 TRP 12 HE3 TRP 12 4.283 3.539 -5.334
79 HZ2 TRP 12 HZ2 TRP 12 4.265 6.435 -1.283
80 HZ3 TRP 12 HZ3 TRP 12 2.756 5.451 -5.152
81 HH2 TRP 12 HH2 TRP 12 2.747 6.877 -3.166
82 H ALA 13 H ALA 13 4.990 -1.675 -4.723
83 HA ALA 13 HA ALA 13 5.899 -1.571 -7.480
84 HB1 ALA 13 HB1 ALA 13 5.684 -3.607 -5.454
85 HB2 ALA 13 HB2 ALA 13 6.614 -3.603 -6.951
86 HB3 ALA 13 HB3 ALA 13 4.933 -4.134 -6.960
87 H SER 14 H SER 14 2.946 -1.866 -5.633
88 HA SER 14 HA SER 14 1.220 -2.722 -7.687
89 HB2 SER 14 HB2 SER 14 -0.498 -1.390 -6.155
90 HB3 SER 14 HB3 SER 14 0.205 -2.915 -5.620
91 HG SER 14 HG SER 14 1.329 -1.890 -4.137
92 H DAL 15 H DAL 15 2.559 0.403 -6.876
93 HA DAL 15 HA DAL 15 1.321 1.523 -9.286
94 HB1 DAL 15 HB1 DAL 15 3.924 1.685 -8.138
95 HB2 DAL 15 HB2 DAL 15 3.240 3.306 -8.248
96 HB3 DAL 15 HB3 DAL 15 3.351 2.297 -9.689
97 H ARG 16 H ARG 16 0.007 1.276 -6.594
98 HA ARG 16 HA ARG 16 -1.049 3.981 -6.500
99 HB2 ARG 16 HB2 ARG 16 -2.871 3.074 -5.311
100 HB3 ARG 16 HB3 ARG 16 -2.428 1.769 -6.410
101 HG2 ARG 16 HG2 ARG 16 -1.004 0.899 -4.440
102 HG3 ARG 16 HG3 ARG 16 -2.001 1.972 -3.453
103 HD2 ARG 16 HD2 ARG 16 -4.018 0.863 -4.405
104 HD3 ARG 16 HD3 ARG 16 -2.951 -0.274 -5.226
105 HE ARG 16 HE ARG 16 -2.648 -1.376 -3.247
106 HH11 ARG 16 HH11 ARG 16 -4.055 1.757 -2.559
107 HH12 ARG 16 HH12 ARG 16 -4.342 1.398 -0.890
108 HH21 ARG 16 HH21 ARG 16 -3.023 -1.841 -1.050
109 HH22 ARG 16 HH22 ARG 16 -3.755 -0.646 -0.032
110 HA PRO 17 HA PRO 17 1.178 5.097 -2.830
111 HB2 PRO 17 HB2 PRO 17 -0.680 7.086 -2.036
112 HB3 PRO 17 HB3 PRO 17 0.769 7.304 -3.020
113 HG2 PRO 17 HG2 PRO 17 -1.865 7.614 -3.892
114 HG3 PRO 17 HG3 PRO 17 -0.444 7.434 -4.932
115 HD2 PRO 17 HD2 PRO 17 -2.478 5.405 -4.134
116 HD3 PRO 17 HD3 PRO 17 -1.587 5.581 -5.656
117 HA PRO 18 HA PRO 18 -0.368 3.286 0.865
118 HB2 PRO 18 HB2 PRO 18 0.308 5.189 2.746
119 HB3 PRO 18 HB3 PRO 18 1.411 3.983 2.098
120 HG2 PRO 18 HG2 PRO 18 1.087 6.853 1.372
121 HG3 PRO 18 HG3 PRO 18 2.566 5.881 1.473
122 HD2 PRO 18 HD2 PRO 18 1.416 6.515 -0.880
123 HD3 PRO 18 HD3 PRO 18 2.263 4.977 -0.625
124 HA PRO 19 HA PRO 19 -4.304 5.155 1.734
125 HB2 PRO 19 HB2 PRO 19 -5.143 3.371 3.613
126 HB3 PRO 19 HB3 PRO 19 -5.130 3.051 1.891
127 HG2 PRO 19 HG2 PRO 19 -3.392 1.990 3.970
128 HG3 PRO 19 HG3 PRO 19 -3.772 1.335 2.380
129 HD2 PRO 19 HD2 PRO 19 -1.413 2.723 3.139
130 HD3 PRO 19 HD3 PRO 19 -1.886 2.182 1.520
131 H SER 20 H SER 20 -4.991 6.741 3.047
132 HA SER 20 HA SER 20 -3.482 7.280 5.483
133 HB2 SER 20 HB2 SER 20 -4.802 9.455 5.438
134 HB3 SER 20 HB3 SER 20 -3.710 9.192 4.079
135 HG SER 20 HG SER 20 -5.364 9.131 2.776
Start of MODEL 4
1 H1 ASP 1 HT1 ASP 1 -5.190 -5.607 7.173
2 H2 ASP 1 HT2 ASP 1 -4.577 -4.096 7.708
3 H3 ASP 1 HT3 ASP 1 -4.245 -4.645 6.116
4 HA ASP 1 HA ASP 1 -6.618 -4.588 5.643
5 HB2 ASP 1 HB2 ASP 1 -6.617 -3.427 8.430
6 HB3 ASP 1 HB3 ASP 1 -7.925 -3.115 7.293
7 H ALA 2 H ALA 2 -6.180 -3.309 3.957
8 HA ALA 2 HA ALA 2 -5.940 -1.426 2.712
9 HB1 ALA 2 HB1 ALA 2 -6.476 0.697 3.584
10 HB2 ALA 2 HB2 ALA 2 -6.047 0.221 5.226
11 HB3 ALA 2 HB3 ALA 2 -7.487 -0.449 4.462
12 H TYR 3 H TYR 3 -4.267 -0.351 5.684
13 HA TYR 3 HA TYR 3 -1.982 0.514 4.235
14 HB2 TYR 3 HB2 TYR 3 -2.903 1.229 6.606
15 HB3 TYR 3 HB3 TYR 3 -1.817 -0.039 7.165
16 HD1 TYR 3 HD1 TYR 3 -2.009 3.248 5.489
17 HD2 TYR 3 HD2 TYR 3 0.565 0.244 7.083
18 HE1 TYR 3 HE1 TYR 3 -0.126 4.822 5.426
19 HE2 TYR 3 HE2 TYR 3 2.454 1.814 6.998
20 HH TYR 3 HH TYR 3 2.748 4.255 5.294
21 H ALA 4 H ALA 4 -2.483 -2.245 6.450
22 HA ALA 4 HA ALA 4 0.077 -3.383 6.041
23 HB1 ALA 4 HB1 ALA 4 -2.341 -5.021 6.732
24 HB2 ALA 4 HB2 ALA 4 -1.661 -3.879 7.891
25 HB3 ALA 4 HB3 ALA 4 -0.675 -5.207 7.281
26 H GLN 5 H GLN 5 -2.986 -3.638 4.332
27 HA GLN 5 HA GLN 5 -2.287 -5.855 2.694
28 HB2 GLN 5 HB2 GLN 5 -4.614 -5.288 2.995
29 HB3 GLN 5 HB3 GLN 5 -4.350 -3.668 2.367
30 HG2 GLN 5 HG2 GLN 5 -5.425 -4.937 0.676
31 HG3 GLN 5 HG3 GLN 5 -3.753 -4.686 0.178
32 HE21 GLN 5 HE21 GLN 5 -6.129 -6.996 1.194
33 HE22 GLN 5 HE22 GLN 5 -5.203 -8.411 0.845
34 H TRP 6 H TRP 6 -2.004 -2.348 2.375
35 HA TRP 6 HA TRP 6 -1.186 -2.219 -0.308
36 HB2 TRP 6 HB2 TRP 6 -1.874 -0.235 0.955
37 HB3 TRP 6 HB3 TRP 6 -0.478 -0.399 2.007
38 HD1 TRP 6 HD1 TRP 6 -1.244 0.271 -1.719
39 HE1 TRP 6 HE1 TRP 6 0.617 1.763 -2.657
40 HE3 TRP 6 HE3 TRP 6 1.777 0.496 2.398
41 HZ2 TRP 6 HZ2 TRP 6 3.038 2.898 -1.788
42 HZ3 TRP 6 HZ3 TRP 6 3.851 1.823 2.260
43 HH2 TRP 6 HH2 TRP 6 4.458 3.011 0.208
44 H LEU 7 H LEU 7 0.704 -2.383 2.690
45 HA LEU 7 HA LEU 7 3.247 -2.414 1.472
46 HB2 LEU 7 HB2 LEU 7 2.364 -3.503 4.146
47 HB3 LEU 7 HB3 LEU 7 4.030 -3.265 3.663
48 HG LEU 7 HG LEU 7 2.074 -0.982 3.739
49 HD11 LEU 7 HD11 LEU 7 3.902 -1.774 5.993
50 HD12 LEU 7 HD12 LEU 7 2.179 -2.149 5.950
51 HD13 LEU 7 HD13 LEU 7 2.715 -0.469 5.967
52 HD21 LEU 7 HD21 LEU 7 4.023 -0.417 2.538
53 HD22 LEU 7 HD22 LEU 7 5.071 -1.225 3.705
54 HD23 LEU 7 HD23 LEU 7 4.241 0.267 4.149
55 H ALA 8 H ALA 8 0.970 -4.962 2.328
56 HA ALA 8 HA ALA 8 2.755 -7.126 1.743
57 HB1 ALA 8 HB1 ALA 8 -0.241 -7.076 2.078
58 HB2 ALA 8 HB2 ALA 8 0.955 -7.450 3.319
59 HB3 ALA 8 HB3 ALA 8 0.740 -8.536 1.947
60 H ASP 9 H ASP 9 0.810 -5.047 -0.185
61 HA ASP 9 HA ASP 9 0.584 -6.929 -2.392
62 HB2 ASP 9 HB2 ASP 9 -0.829 -4.593 -1.583
63 HB3 ASP 9 HB3 ASP 9 -0.140 -4.271 -3.170
64 H DAL 10 H DAL 10 3.199 -5.617 -1.319
65 HA DAL 10 HA DAL 10 4.255 -4.961 -3.977
66 HB1 DAL 10 HB1 DAL 10 6.407 -5.616 -3.138
67 HB2 DAL 10 HB2 DAL 10 5.237 -6.876 -2.744
68 HB3 DAL 10 HB3 DAL 10 5.770 -5.747 -1.498
69 H GLY 11 H GLY 11 3.085 -3.288 -1.435
70 HA2 GLY 11 HA2 GLY 11 3.417 -1.192 -0.558
71 HA3 GLY 11 HA3 GLY 11 5.136 -1.425 -0.843
72 H TRP 12 H TRP 12 6.090 -0.548 -2.641
73 HA TRP 12 HA TRP 12 4.430 1.374 -4.087
74 HB2 TRP 12 HB2 TRP 12 7.345 1.198 -3.453
75 HB3 TRP 12 HB3 TRP 12 6.825 2.163 -4.836
76 HD1 TRP 12 HD1 TRP 12 7.434 2.501 -1.257
77 HE1 TRP 12 HE1 TRP 12 6.252 4.571 -0.287
78 HE3 TRP 12 HE3 TRP 12 4.314 3.573 -5.174
79 HZ2 TRP 12 HZ2 TRP 12 4.250 6.385 -1.065
80 HZ3 TRP 12 HZ3 TRP 12 2.811 5.504 -4.986
81 HH2 TRP 12 HH2 TRP 12 2.779 6.887 -2.969
82 H ALA 13 H ALA 13 4.949 -1.680 -4.620
83 HA ALA 13 HA ALA 13 5.932 -1.571 -7.351
84 HB1 ALA 13 HB1 ALA 13 5.916 -3.542 -5.380
85 HB2 ALA 13 HB2 ALA 13 6.438 -3.712 -7.054
86 HB3 ALA 13 HB3 ALA 13 4.779 -4.106 -6.605
87 H SER 14 H SER 14 2.933 -1.830 -5.581
88 HA SER 14 HA SER 14 1.241 -2.634 -7.686
89 HB2 SER 14 HB2 SER 14 -0.485 -1.289 -6.164
90 HB3 SER 14 HB3 SER 14 0.168 -2.844 -5.654
91 HG SER 14 HG SER 14 1.272 -1.887 -4.115
92 H DAL 15 H DAL 15 2.612 0.456 -6.806
93 HA DAL 15 HA DAL 15 1.433 1.630 -9.220
94 HB1 DAL 15 HB1 DAL 15 4.019 1.687 -8.109
95 HB2 DAL 15 HB2 DAL 15 3.383 3.329 -8.023
96 HB3 DAL 15 HB3 DAL 15 3.439 2.485 -9.570
97 H ARG 16 H ARG 16 0.065 1.360 -6.552
98 HA ARG 16 HA ARG 16 -0.965 4.075 -6.443
99 HB2 ARG 16 HB2 ARG 16 -2.812 3.168 -5.282
100 HB3 ARG 16 HB3 ARG 16 -2.374 1.886 -6.408
101 HG2 ARG 16 HG2 ARG 16 -0.926 1.052 -4.369
102 HG3 ARG 16 HG3 ARG 16 -2.108 1.987 -3.448
103 HD2 ARG 16 HD2 ARG 16 -3.915 0.735 -4.613
104 HD3 ARG 16 HD3 ARG 16 -2.678 -0.255 -5.382
105 HE ARG 16 HE ARG 16 -2.430 -1.418 -3.429
106 HH11 ARG 16 HH11 ARG 16 -4.212 1.520 -2.746
107 HH12 ARG 16 HH12 ARG 16 -4.610 1.047 -1.129
108 HH21 ARG 16 HH21 ARG 16 -2.962 -2.034 -1.299
109 HH22 ARG 16 HH22 ARG 16 -3.900 -0.969 -0.307
110 HA PRO 17 HA PRO 17 1.201 5.120 -2.714
111 HB2 PRO 17 HB2 PRO 17 -0.652 7.110 -1.919
112 HB3 PRO 17 HB3 PRO 17 0.813 7.332 -2.878
113 HG2 PRO 17 HG2 PRO 17 -1.811 7.674 -3.780
114 HG3 PRO 17 HG3 PRO 17 -0.374 7.513 -4.802
115 HD2 PRO 17 HD2 PRO 17 -2.428 5.475 -4.085
116 HD3 PRO 17 HD3 PRO 17 -1.503 5.675 -5.584
117 HA PRO 18 HA PRO 18 -0.430 3.255 0.910
118 HB2 PRO 18 HB2 PRO 18 0.209 5.123 2.843
119 HB3 PRO 18 HB3 PRO 18 1.314 3.912 2.209
120 HG2 PRO 18 HG2 PRO 18 1.061 6.798 1.535
121 HG3 PRO 18 HG3 PRO 18 2.515 5.790 1.631
122 HD2 PRO 18 HD2 PRO 18 1.396 6.518 -0.719
123 HD3 PRO 18 HD3 PRO 18 2.239 4.973 -0.501
124 HA PRO 19 HA PRO 19 -4.378 5.138 1.696
125 HB2 PRO 19 HB2 PRO 19 -5.321 3.261 3.423
126 HB3 PRO 19 HB3 PRO 19 -5.223 3.035 1.689
127 HG2 PRO 19 HG2 PRO 19 -3.592 1.852 3.795
128 HG3 PRO 19 HG3 PRO 19 -3.911 1.276 2.160
129 HD2 PRO 19 HD2 PRO 19 -1.572 2.598 3.081
130 HD3 PRO 19 HD3 PRO 19 -1.984 2.146 1.419
131 H SER 20 H SER 20 -4.688 6.870 2.931
132 HA SER 20 HA SER 20 -4.205 6.669 5.819
133 HB2 SER 20 HB2 SER 20 -2.306 7.861 4.554
134 HB3 SER 20 HB3 SER 20 -3.467 9.164 4.295
135 HG SER 20 HG SER 20 -2.018 8.622 6.479
Start of MODEL 5
1 H1 ASP 1 HT1 ASP 1 -6.251 -2.384 9.003
2 H2 ASP 1 HT2 ASP 1 -6.724 -1.331 7.733
3 H3 ASP 1 HT3 ASP 1 -5.070 -1.737 7.944
4 HA ASP 1 HA ASP 1 -5.688 -4.076 7.551
5 HB2 ASP 1 HB2 ASP 1 -8.175 -3.378 8.004
6 HB3 ASP 1 HB3 ASP 1 -8.179 -2.974 6.290
7 H ALA 2 H ALA 2 -6.753 -1.270 5.607
8 HA ALA 2 HA ALA 2 -5.842 -2.281 3.133
9 HB1 ALA 2 HB1 ALA 2 -6.371 -0.196 2.225
10 HB2 ALA 2 HB2 ALA 2 -6.067 0.645 3.745
11 HB3 ALA 2 HB3 ALA 2 -7.493 -0.377 3.573
12 H TYR 3 H TYR 3 -4.307 -0.274 5.597
13 HA TYR 3 HA TYR 3 -2.023 0.482 4.140
14 HB2 TYR 3 HB2 TYR 3 -2.925 1.246 6.500
15 HB3 TYR 3 HB3 TYR 3 -1.845 -0.013 7.084
16 HD1 TYR 3 HD1 TYR 3 -2.045 3.275 5.439
17 HD2 TYR 3 HD2 TYR 3 0.554 0.230 6.912
18 HE1 TYR 3 HE1 TYR 3 -0.156 4.843 5.361
19 HE2 TYR 3 HE2 TYR 3 2.447 1.794 6.814
20 HH TYR 3 HH TYR 3 2.390 4.757 6.863
21 H ALA 4 H ALA 4 -2.598 -2.306 6.265
22 HA ALA 4 HA ALA 4 0.008 -3.411 5.959
23 HB1 ALA 4 HB1 ALA 4 -2.471 -4.981 6.632
24 HB2 ALA 4 HB2 ALA 4 -1.676 -3.923 7.797
25 HB3 ALA 4 HB3 ALA 4 -0.806 -5.299 7.118
26 H GLN 5 H GLN 5 -3.018 -3.711 4.170
27 HA GLN 5 HA GLN 5 -2.225 -5.927 2.569
28 HB2 GLN 5 HB2 GLN 5 -4.583 -5.334 2.880
29 HB3 GLN 5 HB3 GLN 5 -4.315 -3.793 2.081
30 HG2 GLN 5 HG2 GLN 5 -5.350 -5.216 0.509
31 HG3 GLN 5 HG3 GLN 5 -3.658 -5.066 0.037
32 HE21 GLN 5 HE21 GLN 5 -2.426 -6.862 -0.108
33 HE22 GLN 5 HE22 GLN 5 -2.976 -8.456 0.267
34 H TRP 6 H TRP 6 -2.010 -2.422 2.251
35 HA TRP 6 HA TRP 6 -1.164 -2.270 -0.421
36 HB2 TRP 6 HB2 TRP 6 -1.896 -0.302 0.847
37 HB3 TRP 6 HB3 TRP 6 -0.506 -0.451 1.910
38 HD1 TRP 6 HD1 TRP 6 -1.256 0.230 -1.817
39 HE1 TRP 6 HE1 TRP 6 0.592 1.750 -2.735
40 HE3 TRP 6 HE3 TRP 6 1.739 0.464 2.318
41 HZ2 TRP 6 HZ2 TRP 6 2.998 2.907 -1.845
42 HZ3 TRP 6 HZ3 TRP 6 3.801 1.812 2.201
43 HH2 TRP 6 HH2 TRP 6 4.406 3.021 0.161
44 H LEU 7 H LEU 7 0.684 -2.433 2.603
45 HA LEU 7 HA LEU 7 3.245 -2.431 1.415
46 HB2 LEU 7 HB2 LEU 7 2.316 -3.501 4.081
47 HB3 LEU 7 HB3 LEU 7 3.997 -3.315 3.622
48 HG LEU 7 HG LEU 7 2.088 -0.988 3.664
49 HD11 LEU 7 HD11 LEU 7 3.927 -1.801 5.903
50 HD12 LEU 7 HD12 LEU 7 2.191 -2.115 5.887
51 HD13 LEU 7 HD13 LEU 7 2.786 -0.455 5.876
52 HD21 LEU 7 HD21 LEU 7 5.078 -1.292 3.577
53 HD22 LEU 7 HD22 LEU 7 4.293 0.220 4.034
54 HD23 LEU 7 HD23 LEU 7 4.023 -0.463 2.431
55 H ALA 8 H ALA 8 0.983 -5.006 2.234
56 HA ALA 8 HA ALA 8 2.800 -7.149 1.670
57 HB1 ALA 8 HB1 ALA 8 1.078 -8.586 2.216
58 HB2 ALA 8 HB2 ALA 8 -0.169 -7.488 1.623
59 HB3 ALA 8 HB3 ALA 8 0.657 -7.146 3.143
60 H ASP 9 H ASP 9 0.881 -5.075 -0.283
61 HA ASP 9 HA ASP 9 0.715 -6.947 -2.506
62 HB2 ASP 9 HB2 ASP 9 -0.710 -4.584 -1.718
63 HB3 ASP 9 HB3 ASP 9 -0.050 -4.339 -3.331
64 H DAL 10 H DAL 10 3.294 -5.620 -1.384
65 HA DAL 10 HA DAL 10 4.385 -4.931 -4.018
66 HB1 DAL 10 HB1 DAL 10 6.538 -5.534 -3.126
67 HB2 DAL 10 HB2 DAL 10 5.387 -6.826 -2.782
68 HB3 DAL 10 HB3 DAL 10 5.857 -5.700 -1.507
69 H GLY 11 H GLY 11 3.138 -3.280 -1.497
70 HA2 GLY 11 HA2 GLY 11 3.411 -1.178 -0.618
71 HA3 GLY 11 HA3 GLY 11 5.140 -1.380 -0.865
72 H TRP 12 H TRP 12 6.118 -0.482 -2.638
73 HA TRP 12 HA TRP 12 4.461 1.417 -4.116
74 HB2 TRP 12 HB2 TRP 12 7.366 1.276 -3.429
75 HB3 TRP 12 HB3 TRP 12 6.858 2.239 -4.818
76 HD1 TRP 12 HD1 TRP 12 7.395 2.564 -1.224
77 HE1 TRP 12 HE1 TRP 12 6.177 4.619 -0.268
78 HE3 TRP 12 HE3 TRP 12 4.346 3.632 -5.199
79 HZ2 TRP 12 HZ2 TRP 12 4.176 6.418 -1.075
80 HZ3 TRP 12 HZ3 TRP 12 2.823 5.549 -5.029
81 HH2 TRP 12 HH2 TRP 12 2.739 6.920 -3.006
82 H ALA 13 H ALA 13 5.087 -1.639 -4.639
83 HA ALA 13 HA ALA 13 6.103 -1.501 -7.352
84 HB1 ALA 13 HB1 ALA 13 6.595 -3.655 -7.095
85 HB2 ALA 13 HB2 ALA 13 4.955 -4.049 -6.583
86 HB3 ALA 13 HB3 ALA 13 6.131 -3.466 -5.405
87 H SER 14 H SER 14 3.072 -1.803 -5.649
88 HA SER 14 HA SER 14 1.440 -2.627 -7.795
89 HB2 SER 14 HB2 SER 14 -0.346 -1.337 -6.305
90 HB3 SER 14 HB3 SER 14 0.339 -2.873 -5.780
91 HG SER 14 HG SER 14 1.372 -1.887 -4.214
92 H DAL 15 H DAL 15 2.745 0.479 -6.872
93 HA DAL 15 HA DAL 15 1.587 1.646 -9.299
94 HB1 DAL 15 HB1 DAL 15 3.577 2.556 -9.605
95 HB2 DAL 15 HB2 DAL 15 4.151 1.737 -8.154
96 HB3 DAL 15 HB3 DAL 15 3.488 3.367 -8.042
97 H ARG 16 H ARG 16 0.183 1.337 -6.648
98 HA ARG 16 HA ARG 16 -0.905 4.031 -6.550
99 HB2 ARG 16 HB2 ARG 16 -2.748 3.081 -5.407
100 HB3 ARG 16 HB3 ARG 16 -2.276 1.824 -6.548
101 HG2 ARG 16 HG2 ARG 16 -0.812 1.044 -4.461
102 HG3 ARG 16 HG3 ARG 16 -2.110 1.869 -3.592
103 HD2 ARG 16 HD2 ARG 16 -3.746 0.513 -4.905
104 HD3 ARG 16 HD3 ARG 16 -2.385 -0.382 -5.578
105 HE ARG 16 HE ARG 16 -2.202 -1.533 -3.610
106 HH11 ARG 16 HH11 ARG 16 -4.242 1.263 -3.068
107 HH12 ARG 16 HH12 ARG 16 -4.725 0.754 -1.486
108 HH21 ARG 16 HH21 ARG 16 -2.848 -2.198 -1.527
109 HH22 ARG 16 HH22 ARG 16 -3.934 -1.208 -0.610
110 HA PRO 17 HA PRO 17 1.187 5.105 -2.784
111 HB2 PRO 17 HB2 PRO 17 -0.714 7.060 -2.014
112 HB3 PRO 17 HB3 PRO 17 0.762 7.310 -2.947
113 HG2 PRO 17 HG2 PRO 17 -1.850 7.610 -3.894
114 HG3 PRO 17 HG3 PRO 17 -0.394 7.475 -4.891
115 HD2 PRO 17 HD2 PRO 17 -2.426 5.402 -4.213
116 HD3 PRO 17 HD3 PRO 17 -1.480 5.621 -5.696
117 HA PRO 18 HA PRO 18 -0.491 3.215 0.812
118 HB2 PRO 18 HB2 PRO 18 0.130 5.055 2.764
119 HB3 PRO 18 HB3 PRO 18 1.253 3.871 2.113
120 HG2 PRO 18 HG2 PRO 18 0.956 6.763 1.478
121 HG3 PRO 18 HG3 PRO 18 2.427 5.780 1.579
122 HD2 PRO 18 HD2 PRO 18 1.320 6.511 -0.776
123 HD3 PRO 18 HD3 PRO 18 2.189 4.980 -0.564
124 HA PRO 19 HA PRO 19 -4.439 5.091 1.620
125 HB2 PRO 19 HB2 PRO 19 -5.356 3.242 3.393
126 HB3 PRO 19 HB3 PRO 19 -5.272 2.981 1.662
127 HG2 PRO 19 HG2 PRO 19 -3.620 1.847 3.776
128 HG3 PRO 19 HG3 PRO 19 -3.944 1.240 2.154
129 HD2 PRO 19 HD2 PRO 19 -1.610 2.598 3.040
130 HD3 PRO 19 HD3 PRO 19 -2.023 2.105 1.390
131 H SER 20 H SER 20 -5.541 6.268 3.209
132 HA SER 20 HA SER 20 -3.897 7.270 5.340
133 HB2 SER 20 HB2 SER 20 -5.915 8.695 5.847
134 HB3 SER 20 HB3 SER 20 -5.298 8.854 4.203
135 HG SER 20 HG SER 20 -7.731 8.371 4.817
Start of MODEL 6
1 H1 ASP 1 HT1 ASP 1 -7.977 -3.801 7.529
2 H2 ASP 1 HT2 ASP 1 -9.087 -2.777 6.713
3 H3 ASP 1 HT3 ASP 1 -8.748 -2.525 8.376
4 HA ASP 1 HA ASP 1 -7.656 -0.924 6.986
5 HB2 ASP 1 HB2 ASP 1 -5.584 -1.050 8.124
6 HB3 ASP 1 HB3 ASP 1 -6.728 -1.877 9.174
7 H ALA 2 H ALA 2 -6.181 -0.421 5.349
8 HA ALA 2 HA ALA 2 -5.546 -2.650 3.528
9 HB1 ALA 2 HB1 ALA 2 -5.962 0.231 2.759
10 HB2 ALA 2 HB2 ALA 2 -7.217 -1.006 2.693
11 HB3 ALA 2 HB3 ALA 2 -5.781 -1.152 1.680
12 H TYR 3 H TYR 3 -4.077 -0.634 5.692
13 HA TYR 3 HA TYR 3 -1.827 0.281 4.237
14 HB2 TYR 3 HB2 TYR 3 -2.741 0.947 6.625
15 HB3 TYR 3 HB3 TYR 3 -1.614 -0.295 7.158
16 HD1 TYR 3 HD1 TYR 3 -1.930 3.018 5.575
17 HD2 TYR 3 HD2 TYR 3 0.773 0.038 6.987
18 HE1 TYR 3 HE1 TYR 3 -0.091 4.643 5.495
19 HE2 TYR 3 HE2 TYR 3 2.617 1.659 6.890
20 HH TYR 3 HH TYR 3 2.456 4.636 6.960
21 H ALA 4 H ALA 4 -2.218 -2.517 6.424
22 HA ALA 4 HA ALA 4 0.376 -3.557 5.998
23 HB1 ALA 4 HB1 ALA 4 -0.932 -4.248 7.909
24 HB2 ALA 4 HB2 ALA 4 -0.545 -5.660 6.925
25 HB3 ALA 4 HB3 ALA 4 -2.160 -4.952 6.857
26 H GLN 5 H GLN 5 -2.690 -3.981 4.302
27 HA GLN 5 HA GLN 5 -1.856 -6.119 2.632
28 HB2 GLN 5 HB2 GLN 5 -4.218 -5.676 2.971
29 HB3 GLN 5 HB3 GLN 5 -4.048 -4.061 2.301
30 HG2 GLN 5 HG2 GLN 5 -5.019 -5.313 0.595
31 HG3 GLN 5 HG3 GLN 5 -3.319 -5.196 0.152
32 HE21 GLN 5 HE21 GLN 5 -5.273 -7.155 -0.699
33 HE22 GLN 5 HE22 GLN 5 -4.672 -8.698 -0.207
34 H TRP 6 H TRP 6 -1.771 -2.598 2.358
35 HA TRP 6 HA TRP 6 -0.994 -2.385 -0.331
36 HB2 TRP 6 HB2 TRP 6 -1.747 -0.457 0.992
37 HB3 TRP 6 HB3 TRP 6 -0.316 -0.578 2.003
38 HD1 TRP 6 HD1 TRP 6 -1.211 0.126 -1.688
39 HE1 TRP 6 HE1 TRP 6 0.561 1.710 -2.645
40 HE3 TRP 6 HE3 TRP 6 1.906 0.402 2.353
41 HZ2 TRP 6 HZ2 TRP 6 2.959 2.926 -1.819
42 HZ3 TRP 6 HZ3 TRP 6 3.921 1.813 2.186
43 HH2 TRP 6 HH2 TRP 6 4.427 3.059 0.142
44 H LEU 7 H LEU 7 0.933 -2.545 2.641
45 HA LEU 7 HA LEU 7 3.463 -2.450 1.387
46 HB2 LEU 7 HB2 LEU 7 2.641 -3.584 4.062
47 HB3 LEU 7 HB3 LEU 7 4.299 -3.312 3.565
48 HG LEU 7 HG LEU 7 2.279 -1.083 3.694
49 HD11 LEU 7 HD11 LEU 7 2.580 -2.293 5.896
50 HD12 LEU 7 HD12 LEU 7 2.937 -0.566 5.890
51 HD13 LEU 7 HD13 LEU 7 4.254 -1.738 5.859
52 HD21 LEU 7 HD21 LEU 7 4.163 -0.478 2.393
53 HD22 LEU 7 HD22 LEU 7 5.282 -1.213 3.543
54 HD23 LEU 7 HD23 LEU 7 4.403 0.252 3.981
55 H ALA 8 H ALA 8 1.296 -5.097 2.231
56 HA ALA 8 HA ALA 8 3.168 -7.175 1.592
57 HB1 ALA 8 HB1 ALA 8 1.326 -8.696 1.932
58 HB2 ALA 8 HB2 ALA 8 0.173 -7.362 1.885
59 HB3 ALA 8 HB3 ALA 8 1.330 -7.482 3.211
60 H ASP 9 H ASP 9 1.103 -5.161 -0.273
61 HA ASP 9 HA ASP 9 0.909 -7.036 -2.492
62 HB2 ASP 9 HB2 ASP 9 -0.430 -4.544 -1.711
63 HB3 ASP 9 HB3 ASP 9 -0.052 -4.617 -3.428
64 H DAL 10 H DAL 10 3.479 -5.591 -1.467
65 HA DAL 10 HA DAL 10 4.428 -4.857 -4.146
66 HB1 DAL 10 HB1 DAL 10 6.638 -5.405 -3.359
67 HB2 DAL 10 HB2 DAL 10 5.540 -6.737 -2.996
68 HB3 DAL 10 HB3 DAL 10 6.031 -5.625 -1.718
69 H GLY 11 H GLY 11 3.246 -3.272 -1.561
70 HA2 GLY 11 HA2 GLY 11 3.494 -1.171 -0.669
71 HA3 GLY 11 HA3 GLY 11 5.217 -1.325 -0.979
72 H TRP 12 H TRP 12 6.107 -0.388 -2.782
73 HA TRP 12 HA TRP 12 4.352 1.491 -4.170
74 HB2 TRP 12 HB2 TRP 12 7.287 1.397 -3.610
75 HB3 TRP 12 HB3 TRP 12 6.702 2.366 -4.963
76 HD1 TRP 12 HD1 TRP 12 7.387 2.660 -1.393
77 HE1 TRP 12 HE1 TRP 12 6.171 4.678 -0.358
78 HE3 TRP 12 HE3 TRP 12 4.150 3.713 -5.219
79 HZ2 TRP 12 HZ2 TRP 12 4.101 6.449 -1.058
80 HZ3 TRP 12 HZ3 TRP 12 2.599 5.597 -4.962
81 HH2 TRP 12 HH2 TRP 12 2.574 6.943 -2.920
82 H ALA 13 H ALA 13 5.073 -1.555 -4.748
83 HA ALA 13 HA ALA 13 5.943 -1.359 -7.503
84 HB1 ALA 13 HB1 ALA 13 6.751 -3.351 -6.905
85 HB2 ALA 13 HB2 ALA 13 5.112 -3.948 -7.154
86 HB3 ALA 13 HB3 ALA 13 5.647 -3.491 -5.537
87 H SER 14 H SER 14 2.995 -1.776 -5.674
88 HA SER 14 HA SER 14 1.298 -2.618 -7.758
89 HB2 SER 14 HB2 SER 14 -0.468 -1.404 -6.198
90 HB3 SER 14 HB3 SER 14 0.305 -2.902 -5.688
91 HG SER 14 HG SER 14 1.351 -1.856 -4.171
92 H DAL 15 H DAL 15 2.553 0.514 -6.852
93 HA DAL 15 HA DAL 15 1.294 1.671 -9.234
94 HB1 DAL 15 HB1 DAL 15 3.875 1.684 -8.540
95 HB2 DAL 15 HB2 DAL 15 3.360 3.190 -7.779
96 HB3 DAL 15 HB3 DAL 15 3.125 2.950 -9.511
97 H ARG 16 H ARG 16 -0.024 1.323 -6.555
98 HA ARG 16 HA ARG 16 -1.126 4.007 -6.391
99 HB2 ARG 16 HB2 ARG 16 -2.938 3.037 -5.228
100 HB3 ARG 16 HB3 ARG 16 -2.478 1.784 -6.378
101 HG2 ARG 16 HG2 ARG 16 -1.008 0.922 -4.386
102 HG3 ARG 16 HG3 ARG 16 -2.152 1.857 -3.418
103 HD2 ARG 16 HD2 ARG 16 -3.902 0.584 -4.971
104 HD3 ARG 16 HD3 ARG 16 -2.599 -0.601 -5.035
105 HE ARG 16 HE ARG 16 -4.167 0.169 -2.697
106 HH11 ARG 16 HH11 ARG 16 -1.497 -1.703 -3.985
107 HH12 ARG 16 HH12 ARG 16 -1.439 -2.775 -2.628
108 HH21 ARG 16 HH21 ARG 16 -4.078 -1.245 -0.916
109 HH22 ARG 16 HH22 ARG 16 -2.906 -2.519 -0.888
110 HA PRO 17 HA PRO 17 1.056 5.067 -2.678
111 HB2 PRO 17 HB2 PRO 17 -0.860 6.976 -1.825
112 HB3 PRO 17 HB3 PRO 17 0.589 7.267 -2.789
113 HG2 PRO 17 HG2 PRO 17 -2.047 7.538 -3.669
114 HG3 PRO 17 HG3 PRO 17 -0.615 7.433 -4.705
115 HD2 PRO 17 HD2 PRO 17 -2.602 5.327 -3.997
116 HD3 PRO 17 HD3 PRO 17 -1.701 5.576 -5.503
117 HA PRO 18 HA PRO 18 -0.468 3.107 0.945
118 HB2 PRO 18 HB2 PRO 18 0.154 4.945 2.902
119 HB3 PRO 18 HB3 PRO 18 1.290 3.795 2.210
120 HG2 PRO 18 HG2 PRO 18 0.904 6.685 1.613
121 HG3 PRO 18 HG3 PRO 18 2.402 5.739 1.663
122 HD2 PRO 18 HD2 PRO 18 1.209 6.468 -0.651
123 HD3 PRO 18 HD3 PRO 18 2.125 4.959 -0.483
124 HA PRO 19 HA PRO 19 -4.450 4.859 1.837
125 HB2 PRO 19 HB2 PRO 19 -5.275 2.962 3.612
126 HB3 PRO 19 HB3 PRO 19 -5.238 2.737 1.875
127 HG2 PRO 19 HG2 PRO 19 -3.504 1.591 3.914
128 HG3 PRO 19 HG3 PRO 19 -3.851 1.023 2.283
129 HD2 PRO 19 HD2 PRO 19 -1.531 2.413 3.154
130 HD3 PRO 19 HD3 PRO 19 -1.970 1.950 1.503
131 H SER 20 H SER 20 -4.757 6.599 3.058
132 HA SER 20 HA SER 20 -3.942 6.508 5.891
133 HB2 SER 20 HB2 SER 20 -3.681 9.027 5.680
134 HB3 SER 20 HB3 SER 20 -2.481 8.060 4.823
135 HG SER 20 HG SER 20 -3.265 8.714 2.956
Start of MODEL 7
1 H1 ASP 1 HT1 ASP 1 -7.583 -4.982 7.190
2 H2 ASP 1 HT2 ASP 1 -7.344 -4.527 5.553
3 H3 ASP 1 HT3 ASP 1 -8.084 -3.435 6.651
4 HA ASP 1 HA ASP 1 -6.041 -3.411 7.945
5 HB2 ASP 1 HB2 ASP 1 -5.308 -5.321 5.780
6 HB3 ASP 1 HB3 ASP 1 -4.056 -4.214 6.334
7 H ALA 2 H ALA 2 -5.970 -3.341 4.367
8 HA ALA 2 HA ALA 2 -5.792 -1.622 2.886
9 HB1 ALA 2 HB1 ALA 2 -6.494 0.503 3.424
10 HB2 ALA 2 HB2 ALA 2 -5.801 0.441 5.044
11 HB3 ALA 2 HB3 ALA 2 -7.277 -0.453 4.681
12 H TYR 3 H TYR 3 -4.098 -0.307 5.751
13 HA TYR 3 HA TYR 3 -1.849 0.528 4.242
14 HB2 TYR 3 HB2 TYR 3 -2.728 1.294 6.608
15 HB3 TYR 3 HB3 TYR 3 -1.636 0.040 7.182
16 HD1 TYR 3 HD2 TYR 3 0.771 0.280 6.939
17 HD2 TYR 3 HD1 TYR 3 -1.874 3.335 5.569
18 HE1 TYR 3 HE2 TYR 3 2.657 1.848 6.801
19 HE2 TYR 3 HE1 TYR 3 0.009 4.906 5.452
20 HH TYR 3 HH TYR 3 2.869 4.337 5.154
21 H ALA 4 H ALA 4 -2.324 -2.226 6.460
22 HA ALA 4 HA ALA 4 0.258 -3.333 6.044
23 HB1 ALA 4 HB1 ALA 4 -2.163 -4.939 6.819
24 HB2 ALA 4 HB2 ALA 4 -1.385 -3.829 7.947
25 HB3 ALA 4 HB3 ALA 4 -0.479 -5.187 7.281
26 H GLN 5 H GLN 5 -2.837 -3.643 4.399
27 HA GLN 5 HA GLN 5 -2.146 -5.872 2.774
28 HB2 GLN 5 HB2 GLN 5 -4.475 -5.285 3.145
29 HB3 GLN 5 HB3 GLN 5 -4.227 -3.704 2.419
30 HG2 GLN 5 HG2 GLN 5 -5.349 -5.090 0.842
31 HG3 GLN 5 HG3 GLN 5 -3.701 -4.826 0.277
32 HE21 GLN 5 HE21 GLN 5 -5.905 -7.135 1.711
33 HE22 GLN 5 HE22 GLN 5 -4.988 -8.545 1.317
34 H TRP 6 H TRP 6 -1.898 -2.370 2.417
35 HA TRP 6 HA TRP 6 -1.146 -2.249 -0.285
36 HB2 TRP 6 HB2 TRP 6 -1.805 -0.262 0.988
37 HB3 TRP 6 HB3 TRP 6 -0.387 -0.426 2.011
38 HD1 TRP 6 HD1 TRP 6 -1.220 0.244 -1.704
39 HE1 TRP 6 HE1 TRP 6 0.616 1.746 -2.670
40 HE3 TRP 6 HE3 TRP 6 1.865 0.485 2.367
41 HZ2 TRP 6 HZ2 TRP 6 3.044 2.896 -1.838
42 HZ3 TRP 6 HZ3 TRP 6 3.929 1.824 2.196
43 HH2 TRP 6 HH2 TRP 6 4.497 3.015 0.135
44 H LEU 7 H LEU 7 0.813 -2.407 2.669
45 HA LEU 7 HA LEU 7 3.328 -2.441 1.393
46 HB2 LEU 7 HB2 LEU 7 2.496 -3.516 4.088
47 HB3 LEU 7 HB3 LEU 7 4.155 -3.309 3.569
48 HG LEU 7 HG LEU 7 2.230 -0.999 3.689
49 HD11 LEU 7 HD11 LEU 7 2.431 -2.168 5.903
50 HD12 LEU 7 HD12 LEU 7 2.951 -0.483 5.885
51 HD13 LEU 7 HD13 LEU 7 4.150 -1.776 5.869
52 HD21 LEU 7 HD21 LEU 7 4.400 0.249 3.967
53 HD22 LEU 7 HD22 LEU 7 4.152 -0.501 2.391
54 HD23 LEU 7 HD23 LEU 7 5.227 -1.257 3.568
55 H ALA 8 H ALA 8 1.069 -4.990 2.292
56 HA ALA 8 HA ALA 8 2.840 -7.154 1.672
57 HB1 ALA 8 HB1 ALA 8 0.386 -8.290 1.584
58 HB2 ALA 8 HB2 ALA 8 0.053 -6.859 2.560
59 HB3 ALA 8 HB3 ALA 8 1.295 -8.004 3.068
60 H ASP 9 H ASP 9 0.872 -5.065 -0.218
61 HA ASP 9 HA ASP 9 0.618 -6.937 -2.432
62 HB2 ASP 9 HB2 ASP 9 -0.756 -4.564 -1.600
63 HB3 ASP 9 HB3 ASP 9 -0.139 -4.314 -3.228
64 H DAL 10 H DAL 10 3.249 -5.637 -1.397
65 HA DAL 10 HA DAL 10 4.261 -4.964 -4.066
66 HB1 DAL 10 HB1 DAL 10 5.785 -5.767 -1.596
67 HB2 DAL 10 HB2 DAL 10 6.444 -5.567 -3.220
68 HB3 DAL 10 HB3 DAL 10 5.295 -6.862 -2.888
69 H GLY 11 H GLY 11 3.114 -3.299 -1.504
70 HA2 GLY 11 HA2 GLY 11 3.436 -1.198 -0.637
71 HA3 GLY 11 HA3 GLY 11 5.153 -1.415 -0.946
72 H TRP 12 H TRP 12 6.074 -0.524 -2.750
73 HA TRP 12 HA TRP 12 4.385 1.391 -4.169
74 HB2 TRP 12 HB2 TRP 12 7.316 1.202 -3.608
75 HB3 TRP 12 HB3 TRP 12 6.760 2.178 -4.968
76 HD1 TRP 12 HD1 TRP 12 7.446 2.459 -1.391
77 HE1 TRP 12 HE1 TRP 12 6.320 4.538 -0.376
78 HE3 TRP 12 HE3 TRP 12 4.283 3.644 -5.245
79 HZ2 TRP 12 HZ2 TRP 12 4.344 6.399 -1.097
80 HZ3 TRP 12 HZ3 TRP 12 2.822 5.601 -5.005
81 HH2 TRP 12 HH2 TRP 12 2.850 6.956 -2.969
82 H ALA 13 H ALA 13 5.064 -1.695 -4.698
83 HA ALA 13 HA ALA 13 5.937 -1.567 -7.449
84 HB1 ALA 13 HB1 ALA 13 5.991 -3.534 -5.500
85 HB2 ALA 13 HB2 ALA 13 6.412 -3.725 -7.201
86 HB3 ALA 13 HB3 ALA 13 4.779 -4.099 -6.650
87 H SER 14 H SER 14 2.958 -1.848 -5.647
88 HA SER 14 HA SER 14 1.244 -2.642 -7.735
89 HB2 SER 14 HB2 SER 14 -0.470 -1.304 -6.202
90 HB3 SER 14 HB3 SER 14 0.199 -2.849 -5.685
91 HG SER 14 HG SER 14 1.292 -1.872 -4.157
92 H DAL 15 H DAL 15 2.613 0.449 -6.850
93 HA DAL 15 HA DAL 15 1.424 1.626 -9.260
94 HB1 DAL 15 HB1 DAL 15 3.998 1.546 -8.549
95 HB2 DAL 15 HB2 DAL 15 3.538 3.078 -7.807
96 HB3 DAL 15 HB3 DAL 15 3.304 2.830 -9.537
97 H ARG 16 H ARG 16 0.072 1.358 -6.593
98 HA ARG 16 HA ARG 16 -0.925 4.085 -6.461
99 HB2 ARG 16 HB2 ARG 16 -2.790 3.194 -5.326
100 HB3 ARG 16 HB3 ARG 16 -2.357 1.905 -6.447
101 HG2 ARG 16 HG2 ARG 16 -0.953 1.023 -4.417
102 HG3 ARG 16 HG3 ARG 16 -2.073 2.021 -3.482
103 HD2 ARG 16 HD2 ARG 16 -3.846 0.784 -5.046
104 HD3 ARG 16 HD3 ARG 16 -2.592 -0.453 -5.049
105 HE ARG 16 HE ARG 16 -4.175 0.442 -2.766
106 HH11 ARG 16 HH11 ARG 16 -1.568 -1.580 -3.953
107 HH12 ARG 16 HH12 ARG 16 -1.585 -2.619 -2.570
108 HH21 ARG 16 HH21 ARG 16 -4.187 -0.936 -0.950
109 HH22 ARG 16 HH22 ARG 16 -3.071 -2.258 -0.870
110 HA PRO 17 HA PRO 17 1.256 5.073 -2.727
111 HB2 PRO 17 HB2 PRO 17 -0.580 7.073 -1.909
112 HB3 PRO 17 HB3 PRO 17 0.888 7.291 -2.865
113 HG2 PRO 17 HG2 PRO 17 -1.730 7.668 -3.765
114 HG3 PRO 17 HG3 PRO 17 -0.294 7.503 -4.787
115 HD2 PRO 17 HD2 PRO 17 -2.372 5.483 -4.095
116 HD3 PRO 17 HD3 PRO 17 -1.441 5.685 -5.589
117 HA PRO 18 HA PRO 18 -0.392 3.230 0.905
118 HB2 PRO 18 HB2 PRO 18 0.252 5.077 2.846
119 HB3 PRO 18 HB3 PRO 18 1.366 3.886 2.188
120 HG2 PRO 18 HG2 PRO 18 1.071 6.778 1.544
121 HG3 PRO 18 HG3 PRO 18 2.540 5.791 1.634
122 HD2 PRO 18 HD2 PRO 18 1.410 6.518 -0.711
123 HD3 PRO 18 HD3 PRO 18 2.279 4.986 -0.504
124 HA PRO 19 HA PRO 19 -4.338 5.092 1.734
125 HB2 PRO 19 HB2 PRO 19 -5.202 3.287 3.585
126 HB3 PRO 19 HB3 PRO 19 -5.170 2.988 1.860
127 HG2 PRO 19 HG2 PRO 19 -3.463 1.895 3.944
128 HG3 PRO 19 HG3 PRO 19 -3.816 1.268 2.336
129 HD2 PRO 19 HD2 PRO 19 -1.471 2.647 3.160
130 HD3 PRO 19 HD3 PRO 19 -1.914 2.126 1.527
131 H SER 20 H SER 20 -5.280 6.470 3.183
132 HA SER 20 HA SER 20 -4.424 6.551 5.948
133 HB2 SER 20 HB2 SER 20 -3.829 9.021 5.755
134 HB3 SER 20 HB3 SER 20 -2.659 7.889 5.078
135 HG SER 20 HG SER 20 -3.116 8.566 3.109
Start of MODEL 8
1 H1 ASP 1 HT1 ASP 1 -8.040 -4.790 7.330
2 H2 ASP 1 HT2 ASP 1 -8.766 -4.200 5.891
3 H3 ASP 1 HT3 ASP 1 -7.991 -3.115 6.972
4 HA ASP 1 HA ASP 1 -5.896 -4.155 6.555
5 HB2 ASP 1 HB2 ASP 1 -7.678 -6.083 5.248
6 HB3 ASP 1 HB3 ASP 1 -6.287 -5.647 4.261
7 H ALA 2 H ALA 2 -5.160 -2.257 5.809
8 HA ALA 2 HA ALA 2 -5.689 -1.582 3.010
9 HB1 ALA 2 HB1 ALA 2 -6.093 0.293 5.328
10 HB2 ALA 2 HB2 ALA 2 -7.275 -0.204 4.117
11 HB3 ALA 2 HB3 ALA 2 -5.925 0.833 3.658
12 H TYR 3 H TYR 3 -3.987 -0.165 5.824
13 HA TYR 3 HA TYR 3 -1.762 0.672 4.272
14 HB2 TYR 3 HB2 TYR 3 -2.607 1.481 6.632
15 HB3 TYR 3 HB3 TYR 3 -1.516 0.232 7.222
16 HD1 TYR 3 HD1 TYR 3 -1.745 3.488 5.522
17 HD2 TYR 3 HD2 TYR 3 0.885 0.459 6.971
18 HE1 TYR 3 HE1 TYR 3 0.149 5.044 5.352
19 HE2 TYR 3 HE2 TYR 3 2.782 2.010 6.781
20 HH TYR 3 HH TYR 3 2.752 4.963 6.777
21 H ALA 4 H ALA 4 -2.179 -2.038 6.559
22 HA ALA 4 HA ALA 4 0.396 -3.144 6.108
23 HB1 ALA 4 HB1 ALA 4 -0.553 -5.181 7.175
24 HB2 ALA 4 HB2 ALA 4 -2.136 -4.403 7.170
25 HB3 ALA 4 HB3 ALA 4 -0.815 -3.711 8.113
26 H GLN 5 H GLN 5 -2.734 -3.494 4.536
27 HA GLN 5 HA GLN 5 -2.073 -5.768 2.961
28 HB2 GLN 5 HB2 GLN 5 -4.397 -5.120 3.400
29 HB3 GLN 5 HB3 GLN 5 -4.156 -3.613 2.530
30 HG2 GLN 5 HG2 GLN 5 -5.316 -5.092 1.091
31 HG3 GLN 5 HG3 GLN 5 -3.665 -4.953 0.494
32 HE21 GLN 5 HE21 GLN 5 -3.384 -6.868 -0.496
33 HE22 GLN 5 HE22 GLN 5 -3.529 -8.406 0.278
34 H TRP 6 H TRP 6 -1.818 -2.279 2.520
35 HA TRP 6 HA TRP 6 -1.125 -2.227 -0.204
36 HB2 TRP 6 HB2 TRP 6 -1.771 -0.208 1.021
37 HB3 TRP 6 HB3 TRP 6 -0.340 -0.337 2.030
38 HD1 TRP 6 HD1 TRP 6 -1.237 0.239 -1.685
39 HE1 TRP 6 HE1 TRP 6 0.581 1.721 -2.720
40 HE3 TRP 6 HE3 TRP 6 1.928 0.573 2.320
41 HZ2 TRP 6 HZ2 TRP 6 3.025 2.891 -1.961
42 HZ3 TRP 6 HZ3 TRP 6 3.988 1.909 2.080
43 HH2 TRP 6 HH2 TRP 6 4.515 3.055 -0.019
44 H LEU 7 H LEU 7 0.885 -2.290 2.719
45 HA LEU 7 HA LEU 7 3.378 -2.336 1.405
46 HB2 LEU 7 HB2 LEU 7 2.598 -3.363 4.136
47 HB3 LEU 7 HB3 LEU 7 4.248 -3.156 3.584
48 HG LEU 7 HG LEU 7 2.308 -0.857 3.689
49 HD11 LEU 7 HD11 LEU 7 3.023 -0.298 5.862
50 HD12 LEU 7 HD12 LEU 7 4.280 -1.536 5.851
51 HD13 LEU 7 HD13 LEU 7 2.581 -2.005 5.922
52 HD21 LEU 7 HD21 LEU 7 4.437 0.434 3.870
53 HD22 LEU 7 HD22 LEU 7 4.232 -0.420 2.340
54 HD23 LEU 7 HD23 LEU 7 5.312 -1.069 3.575
55 H ALA 8 H ALA 8 1.155 -4.888 2.387
56 HA ALA 8 HA ALA 8 2.939 -7.046 1.777
57 HB1 ALA 8 HB1 ALA 8 0.956 -7.085 3.387
58 HB2 ALA 8 HB2 ALA 8 1.183 -8.487 2.342
59 HB3 ALA 8 HB3 ALA 8 -0.048 -7.286 1.951
60 H ASP 9 H ASP 9 0.891 -5.021 -0.110
61 HA ASP 9 HA ASP 9 0.606 -6.929 -2.281
62 HB2 ASP 9 HB2 ASP 9 -0.825 -4.648 -1.449
63 HB3 ASP 9 HB3 ASP 9 -0.123 -4.231 -3.008
64 H DAL 10 H DAL 10 3.261 -5.582 -1.325
65 HA DAL 10 HA DAL 10 4.211 -4.979 -4.037
66 HB1 DAL 10 HB1 DAL 10 6.408 -5.601 -3.252
67 HB2 DAL 10 HB2 DAL 10 5.255 -6.874 -2.851
68 HB3 DAL 10 HB3 DAL 10 5.804 -5.756 -1.602
69 H GLY 11 H GLY 11 3.144 -3.266 -1.480
70 HA2 GLY 11 HA2 GLY 11 3.506 -1.156 -0.653
71 HA3 GLY 11 HA3 GLY 11 5.214 -1.398 -0.990
72 H TRP 12 H TRP 12 6.114 -0.525 -2.815
73 HA TRP 12 HA TRP 12 4.403 1.360 -4.249
74 HB2 TRP 12 HB2 TRP 12 7.334 1.213 -3.690
75 HB3 TRP 12 HB3 TRP 12 6.773 2.150 -5.076
76 HD1 TRP 12 HD1 TRP 12 7.471 2.552 -1.520
77 HE1 TRP 12 HE1 TRP 12 6.302 4.631 -0.555
78 HE3 TRP 12 HE3 TRP 12 4.248 3.542 -5.375
79 HZ2 TRP 12 HZ2 TRP 12 4.272 6.421 -1.312
80 HZ3 TRP 12 HZ3 TRP 12 2.739 5.468 -5.181
81 HH2 TRP 12 HH2 TRP 12 2.750 6.884 -3.186
82 H ALA 13 H ALA 13 4.970 -1.706 -4.743
83 HA ALA 13 HA ALA 13 5.861 -1.628 -7.503
84 HB1 ALA 13 HB1 ALA 13 4.819 -4.175 -6.878
85 HB2 ALA 13 HB2 ALA 13 5.716 -3.621 -5.464
86 HB3 ALA 13 HB3 ALA 13 6.508 -3.696 -7.038
87 H SER 14 H SER 14 2.914 -1.880 -5.646
88 HA SER 14 HA SER 14 1.175 -2.730 -7.690
89 HB2 SER 14 HB2 SER 14 -0.536 -1.412 -6.150
90 HB3 SER 14 HB3 SER 14 0.188 -2.925 -5.607
91 HG SER 14 HG SER 14 1.280 -1.877 -4.125
92 H DAL 15 H DAL 15 2.540 0.389 -6.900
93 HA DAL 15 HA DAL 15 1.276 1.503 -9.299
94 HB1 DAL 15 HB1 DAL 15 3.242 2.421 -9.721
95 HB2 DAL 15 HB2 DAL 15 3.893 1.594 -8.306
96 HB3 DAL 15 HB3 DAL 15 3.255 3.231 -8.155
97 H ARG 16 H ARG 16 -0.007 1.270 -6.582
98 HA ARG 16 HA ARG 16 -1.072 3.974 -6.499
99 HB2 ARG 16 HB2 ARG 16 -2.867 3.066 -5.245
100 HB3 ARG 16 HB3 ARG 16 -2.464 1.784 -6.385
101 HG2 ARG 16 HG2 ARG 16 -0.897 1.055 -4.337
102 HG3 ARG 16 HG3 ARG 16 -2.187 1.868 -3.446
103 HD2 ARG 16 HD2 ARG 16 -3.837 0.462 -4.659
104 HD3 ARG 16 HD3 ARG 16 -2.496 -0.394 -5.415
105 HE ARG 16 HE ARG 16 -2.160 -1.548 -3.467
106 HH11 ARG 16 HH11 ARG 16 -4.287 1.156 -2.799
107 HH12 ARG 16 HH12 ARG 16 -4.686 0.604 -1.208
108 HH21 ARG 16 HH21 ARG 16 -2.699 -2.270 -1.374
109 HH22 ARG 16 HH22 ARG 16 -3.784 -1.338 -0.398
110 HA PRO 17 HA PRO 17 1.192 5.115 -2.851
111 HB2 PRO 17 HB2 PRO 17 -0.672 7.094 -2.043
112 HB3 PRO 17 HB3 PRO 17 0.773 7.321 -3.032
113 HG2 PRO 17 HG2 PRO 17 -1.866 7.623 -3.892
114 HG3 PRO 17 HG3 PRO 17 -0.449 7.450 -4.939
115 HD2 PRO 17 HD2 PRO 17 -2.475 5.414 -4.139
116 HD3 PRO 17 HD3 PRO 17 -1.586 5.593 -5.663
117 HA PRO 18 HA PRO 18 -0.366 3.306 0.839
118 HB2 PRO 18 HB2 PRO 18 0.349 5.173 2.737
119 HB3 PRO 18 HB3 PRO 18 1.433 3.964 2.066
120 HG2 PRO 18 HG2 PRO 18 1.152 6.849 1.395
121 HG3 PRO 18 HG3 PRO 18 2.612 5.846 1.452
122 HD2 PRO 18 HD2 PRO 18 1.414 6.562 -0.866
123 HD3 PRO 18 HD3 PRO 18 2.281 5.027 -0.669
124 HA PRO 19 HA PRO 19 -4.261 5.241 1.739
125 HB2 PRO 19 HB2 PRO 19 -5.124 3.460 3.613
126 HB3 PRO 19 HB3 PRO 19 -5.124 3.150 1.889
127 HG2 PRO 19 HG2 PRO 19 -3.392 2.046 3.954
128 HG3 PRO 19 HG3 PRO 19 -3.794 1.407 2.362
129 HD2 PRO 19 HD2 PRO 19 -1.407 2.750 3.114
130 HD3 PRO 19 HD3 PRO 19 -1.899 2.226 1.495
131 H SER 20 H SER 20 -5.242 6.543 3.279
132 HA SER 20 HA SER 20 -3.520 7.409 5.450
133 HB2 SER 20 HB2 SER 20 -5.302 9.184 5.747
134 HB3 SER 20 HB3 SER 20 -4.504 9.178 4.174
135 HG SER 20 HG SER 20 -6.345 8.728 3.267
Start of MODEL 9
1 H1 ASP 1 HT1 ASP 1 -8.499 -4.800 5.416
2 H2 ASP 1 HT2 ASP 1 -8.264 -3.511 6.524
3 H3 ASP 1 HT3 ASP 1 -8.035 -5.134 7.032
4 HA ASP 1 HA ASP 1 -5.955 -4.064 6.705
5 HB2 ASP 1 HB2 ASP 1 -6.837 -6.497 5.631
6 HB3 ASP 1 HB3 ASP 1 -5.849 -5.780 4.363
7 H ALA 2 H ALA 2 -5.325 -2.151 5.936
8 HA ALA 2 HA ALA 2 -5.683 -1.605 3.061
9 HB1 ALA 2 HB1 ALA 2 -5.964 0.358 5.331
10 HB2 ALA 2 HB2 ALA 2 -7.250 -0.229 4.278
11 HB3 ALA 2 HB3 ALA 2 -5.964 0.783 3.620
12 H TYR 3 H TYR 3 -3.953 -0.190 5.856
13 HA TYR 3 HA TYR 3 -1.725 0.627 4.304
14 HB2 TYR 3 HB2 TYR 3 -2.560 1.416 6.678
15 HB3 TYR 3 HB3 TYR 3 -1.466 0.160 7.246
16 HD1 TYR 3 HD1 TYR 3 -1.702 3.425 5.559
17 HD2 TYR 3 HD2 TYR 3 0.930 0.401 7.014
18 HE1 TYR 3 HE1 TYR 3 0.186 4.987 5.400
19 HE2 TYR 3 HE2 TYR 3 2.823 1.958 6.835
20 HH TYR 3 HH TYR 3 2.754 4.945 6.821
21 H ALA 4 H ALA 4 -2.150 -2.088 6.580
22 HA ALA 4 HA ALA 4 0.409 -3.219 6.116
23 HB1 ALA 4 HB1 ALA 4 -2.088 -4.639 7.047
24 HB2 ALA 4 HB2 ALA 4 -1.016 -3.712 8.095
25 HB3 ALA 4 HB3 ALA 4 -0.419 -5.158 7.282
26 H GLN 5 H GLN 5 -2.702 -3.487 4.508
27 HA GLN 5 HA GLN 5 -2.073 -5.762 2.915
28 HB2 GLN 5 HB2 GLN 5 -4.390 -5.066 3.359
29 HB3 GLN 5 HB3 GLN 5 -4.114 -3.567 2.484
30 HG2 GLN 5 HG2 GLN 5 -5.224 -4.884 0.946
31 HG3 GLN 5 HG3 GLN 5 -3.531 -5.076 0.497
32 HE21 GLN 5 HE21 GLN 5 -2.526 -7.050 0.789
33 HE22 GLN 5 HE22 GLN 5 -3.397 -8.492 1.174
34 H TRP 6 H TRP 6 -1.788 -2.270 2.513
35 HA TRP 6 HA TRP 6 -1.080 -2.196 -0.205
36 HB2 TRP 6 HB2 TRP 6 -1.719 -0.188 1.045
37 HB3 TRP 6 HB3 TRP 6 -0.285 -0.335 2.048
38 HD1 TRP 6 HD1 TRP 6 -1.185 0.274 -1.662
39 HE1 TRP 6 HE1 TRP 6 0.640 1.751 -2.687
40 HE3 TRP 6 HE3 TRP 6 1.982 0.560 2.342
41 HZ2 TRP 6 HZ2 TRP 6 3.091 2.898 -1.922
42 HZ3 TRP 6 HZ3 TRP 6 4.050 1.884 2.109
43 HH2 TRP 6 HH2 TRP 6 4.583 3.038 0.019
44 H LEU 7 H LEU 7 0.919 -2.306 2.726
45 HA LEU 7 HA LEU 7 3.416 -2.369 1.416
46 HB2 LEU 7 HB2 LEU 7 2.625 -3.403 4.140
47 HB3 LEU 7 HB3 LEU 7 4.275 -3.191 3.593
48 HG LEU 7 HG LEU 7 2.337 -0.892 3.702
49 HD11 LEU 7 HD11 LEU 7 4.278 -1.619 5.880
50 HD12 LEU 7 HD12 LEU 7 2.565 -2.036 5.929
51 HD13 LEU 7 HD13 LEU 7 3.060 -0.344 5.886
52 HD21 LEU 7 HD21 LEU 7 4.508 0.367 3.957
53 HD22 LEU 7 HD22 LEU 7 4.245 -0.393 2.388
54 HD23 LEU 7 HD23 LEU 7 5.334 -1.140 3.559
55 H ALA 8 H ALA 8 1.166 -4.895 2.404
56 HA ALA 8 HA ALA 8 2.920 -7.074 1.782
57 HB1 ALA 8 HB1 ALA 8 -0.058 -6.997 2.249
58 HB2 ALA 8 HB2 ALA 8 1.192 -7.381 3.432
59 HB3 ALA 8 HB3 ALA 8 0.898 -8.469 2.076
60 H ASP 9 H ASP 9 0.922 -5.007 -0.096
61 HA ASP 9 HA ASP 9 0.584 -6.916 -2.267
62 HB2 ASP 9 HB2 ASP 9 -0.687 -4.445 -1.467
63 HB3 ASP 9 HB3 ASP 9 -0.187 -4.355 -3.151
64 H DAL 10 H DAL 10 3.252 -5.606 -1.319
65 HA DAL 10 HA DAL 10 4.202 -5.000 -4.028
66 HB1 DAL 10 HB1 DAL 10 5.790 -5.770 -1.589
67 HB2 DAL 10 HB2 DAL 10 6.395 -5.623 -3.239
68 HB3 DAL 10 HB3 DAL 10 5.240 -6.892 -2.833
69 H GLY 11 H GLY 11 3.135 -3.282 -1.470
70 HA2 GLY 11 HA2 GLY 11 3.498 -1.172 -0.645
71 HA3 GLY 11 HA3 GLY 11 5.205 -1.411 -0.988
72 H TRP 12 H TRP 12 6.093 -0.563 -2.833
73 HA TRP 12 HA TRP 12 4.385 1.339 -4.247
74 HB2 TRP 12 HB2 TRP 12 7.324 1.157 -3.730
75 HB3 TRP 12 HB3 TRP 12 6.750 2.108 -5.100
76 HD1 TRP 12 HD1 TRP 12 7.502 2.473 -1.548
77 HE1 TRP 12 HE1 TRP 12 6.384 4.567 -0.555
78 HE3 TRP 12 HE3 TRP 12 4.249 3.548 -5.356
79 HZ2 TRP 12 HZ2 TRP 12 4.378 6.398 -1.274
80 HZ3 TRP 12 HZ3 TRP 12 2.779 5.500 -5.129
81 HH2 TRP 12 HH2 TRP 12 2.841 6.901 -3.126
82 H ALA 13 H ALA 13 4.892 -1.730 -4.749
83 HA ALA 13 HA ALA 13 5.764 -1.665 -7.516
84 HB1 ALA 13 HB1 ALA 13 5.410 -3.716 -5.479
85 HB2 ALA 13 HB2 ALA 13 6.484 -3.678 -6.876
86 HB3 ALA 13 HB3 ALA 13 4.811 -4.202 -7.065
87 H SER 14 H SER 14 2.831 -1.896 -5.633
88 HA SER 14 HA SER 14 1.054 -2.712 -7.657
89 HB2 SER 14 HB2 SER 14 -0.592 -1.303 -6.094
90 HB3 SER 14 HB3 SER 14 0.044 -2.867 -5.593
91 HG SER 14 HG SER 14 1.219 -1.922 -4.103
92 H DAL 15 H DAL 15 2.460 0.388 -6.857
93 HA DAL 15 HA DAL 15 1.227 1.529 -9.263
94 HB1 DAL 15 HB1 DAL 15 3.849 1.551 -8.273
95 HB2 DAL 15 HB2 DAL 15 3.253 3.205 -8.139
96 HB3 DAL 15 HB3 DAL 15 3.219 2.379 -9.696
97 H ARG 16 H ARG 16 -0.067 1.325 -6.564
98 HA ARG 16 HA ARG 16 -1.026 4.067 -6.460
99 HB2 ARG 16 HB2 ARG 16 -2.883 3.226 -5.290
100 HB3 ARG 16 HB3 ARG 16 -2.478 1.899 -6.375
101 HG2 ARG 16 HG2 ARG 16 -1.119 0.962 -4.410
102 HG3 ARG 16 HG3 ARG 16 -2.023 2.113 -3.420
103 HD2 ARG 16 HD2 ARG 16 -4.125 1.126 -4.459
104 HD3 ARG 16 HD3 ARG 16 -3.096 -0.169 -5.064
105 HE ARG 16 HE ARG 16 -3.789 0.361 -2.272
106 HH11 ARG 16 HH11 ARG 16 -2.078 -1.627 -4.598
107 HH12 ARG 16 HH12 ARG 16 -1.861 -2.942 -3.494
108 HH21 ARG 16 HH21 ARG 16 -3.495 -1.377 -0.827
109 HH22 ARG 16 HH22 ARG 16 -2.665 -2.802 -1.357
110 HA PRO 17 HA PRO 17 1.243 5.102 -2.797
111 HB2 PRO 17 HB2 PRO 17 -0.569 7.124 -1.968
112 HB3 PRO 17 HB3 PRO 17 0.884 7.319 -2.950
113 HG2 PRO 17 HG2 PRO 17 -1.740 7.705 -3.819
114 HG3 PRO 17 HG3 PRO 17 -0.324 7.497 -4.861
115 HD2 PRO 17 HD2 PRO 17 -2.412 5.516 -4.084
116 HD3 PRO 17 HD3 PRO 17 -1.516 5.682 -5.604
117 HA PRO 18 HA PRO 18 -0.305 3.299 0.896
118 HB2 PRO 18 HB2 PRO 18 0.408 5.174 2.791
119 HB3 PRO 18 HB3 PRO 18 1.487 3.955 2.129
120 HG2 PRO 18 HG2 PRO 18 1.221 6.838 1.442
121 HG3 PRO 18 HG3 PRO 18 2.675 5.827 1.504
122 HD2 PRO 18 HD2 PRO 18 1.491 6.536 -0.818
123 HD3 PRO 18 HD3 PRO 18 2.335 4.991 -0.611
124 HA PRO 19 HA PRO 19 -4.211 5.208 1.810
125 HB2 PRO 19 HB2 PRO 19 -5.067 3.391 3.652
126 HB3 PRO 19 HB3 PRO 19 -5.065 3.111 1.922
127 HG2 PRO 19 HG2 PRO 19 -3.334 1.979 3.970
128 HG3 PRO 19 HG3 PRO 19 -3.727 1.367 2.365
129 HD2 PRO 19 HD2 PRO 19 -1.348 2.709 3.150
130 HD3 PRO 19 HD3 PRO 19 -1.831 2.208 1.522
131 H SER 20 H SER 20 -5.171 6.510 3.348
132 HA SER 20 HA SER 20 -4.325 6.548 6.087
133 HB2 SER 20 HB2 SER 20 -3.521 8.960 5.973
134 HB3 SER 20 HB3 SER 20 -2.426 7.753 5.301
135 HG SER 20 HG SER 20 -2.575 9.432 3.847
Start of MODEL 10
1 H1 ASP 1 HT1 ASP 1 -9.440 -0.475 7.565
2 H2 ASP 1 HT2 ASP 1 -8.683 -2.016 7.540
3 H3 ASP 1 HT3 ASP 1 -9.497 -1.435 6.145
4 HA ASP 1 HA ASP 1 -7.924 0.342 5.943
5 HB2 ASP 1 HB2 ASP 1 -6.948 -0.897 8.492
6 HB3 ASP 1 HB3 ASP 1 -5.790 -0.102 7.430
7 H ALA 2 H ALA 2 -6.141 0.053 4.574
8 HA ALA 2 HA ALA 2 -5.410 -2.751 4.017
9 HB1 ALA 2 HB1 ALA 2 -5.207 -2.017 1.606
10 HB2 ALA 2 HB2 ALA 2 -6.057 -0.545 2.078
11 HB3 ALA 2 HB3 ALA 2 -6.846 -2.113 2.252
12 H TYR 3 H TYR 3 -3.999 -0.785 5.691
13 HA TYR 3 HA TYR 3 -1.782 0.245 4.234
14 HB2 TYR 3 HB2 TYR 3 -2.728 0.906 6.601
15 HB3 TYR 3 HB3 TYR 3 -1.584 -0.309 7.162
16 HD1 TYR 3 HD1 TYR 3 -1.945 2.990 5.565
17 HD2 TYR 3 HD2 TYR 3 0.802 0.060 7.001
18 HE1 TYR 3 HE1 TYR 3 -0.134 4.647 5.492
19 HE2 TYR 3 HE2 TYR 3 2.618 1.713 6.910
20 HH TYR 3 HH TYR 3 2.769 4.197 5.271
21 H ALA 4 H ALA 4 -2.051 -2.528 6.478
22 HA ALA 4 HA ALA 4 0.565 -3.492 6.019
23 HB1 ALA 4 HB1 ALA 4 -0.128 -5.490 7.137
24 HB2 ALA 4 HB2 ALA 4 -1.828 -5.148 6.817
25 HB3 ALA 4 HB3 ALA 4 -0.920 -4.132 7.937
26 H GLN 5 H GLN 5 -2.523 -4.051 4.409
27 HA GLN 5 HA GLN 5 -1.678 -6.173 2.732
28 HB2 GLN 5 HB2 GLN 5 -4.024 -5.857 3.045
29 HB3 GLN 5 HB3 GLN 5 -3.935 -4.180 2.527
30 HG2 GLN 5 HG2 GLN 5 -4.919 -5.397 0.763
31 HG3 GLN 5 HG3 GLN 5 -3.278 -5.004 0.262
32 HE21 GLN 5 HE21 GLN 5 -5.356 -7.277 -0.239
33 HE22 GLN 5 HE22 GLN 5 -4.383 -8.700 -0.143
34 H TRP 6 H TRP 6 -1.679 -2.653 2.404
35 HA TRP 6 HA TRP 6 -0.951 -2.459 -0.297
36 HB2 TRP 6 HB2 TRP 6 -1.703 -0.520 0.999
37 HB3 TRP 6 HB3 TRP 6 -0.269 -0.616 2.008
38 HD1 TRP 6 HD1 TRP 6 -1.185 0.043 -1.683
39 HE1 TRP 6 HE1 TRP 6 0.560 1.641 -2.664
40 HE3 TRP 6 HE3 TRP 6 1.949 0.394 2.336
41 HZ2 TRP 6 HZ2 TRP 6 2.944 2.901 -1.860
42 HZ3 TRP 6 HZ3 TRP 6 3.943 1.832 2.149
43 HH2 TRP 6 HH2 TRP 6 4.421 3.069 0.092
44 H LEU 7 H LEU 7 1.039 -2.534 2.637
45 HA LEU 7 HA LEU 7 3.544 -2.418 1.344
46 HB2 LEU 7 HB2 LEU 7 2.805 -3.577 4.032
47 HB3 LEU 7 HB3 LEU 7 4.438 -3.234 3.503
48 HG LEU 7 HG LEU 7 2.350 -1.075 3.661
49 HD11 LEU 7 HD11 LEU 7 2.603 -2.265 5.853
50 HD12 LEU 7 HD12 LEU 7 3.014 -0.550 5.874
51 HD13 LEU 7 HD13 LEU 7 4.295 -1.763 5.849
52 HD21 LEU 7 HD21 LEU 7 5.359 -1.114 3.577
53 HD22 LEU 7 HD22 LEU 7 4.418 0.320 3.990
54 HD23 LEU 7 HD23 LEU 7 4.249 -0.418 2.396
55 H ALA 8 H ALA 8 1.438 -5.095 2.246
56 HA ALA 8 HA ALA 8 3.324 -7.150 1.578
57 HB1 ALA 8 HB1 ALA 8 0.359 -7.227 2.102
58 HB2 ALA 8 HB2 ALA 8 1.660 -7.650 3.215
59 HB3 ALA 8 HB3 ALA 8 1.345 -8.658 1.802
60 H ASP 9 H ASP 9 1.197 -5.168 -0.253
61 HA ASP 9 HA ASP 9 0.974 -7.050 -2.462
62 HB2 ASP 9 HB2 ASP 9 -0.456 -4.690 -1.611
63 HB3 ASP 9 HB3 ASP 9 0.048 -4.518 -3.288
64 H DAL 10 H DAL 10 3.551 -5.583 -1.482
65 HA DAL 10 HA DAL 10 4.459 -4.863 -4.179
66 HB1 DAL 10 HB1 DAL 10 6.059 -5.660 -1.756
67 HB2 DAL 10 HB2 DAL 10 6.701 -5.353 -3.370
68 HB3 DAL 10 HB3 DAL 10 5.622 -6.721 -3.095
69 H GLY 11 H GLY 11 3.310 -3.280 -1.571
70 HA2 GLY 11 HA2 GLY 11 3.558 -1.176 -0.689
71 HA3 GLY 11 HA3 GLY 11 5.276 -1.314 -1.036
72 H TRP 12 H TRP 12 6.116 -0.376 -2.859
73 HA TRP 12 HA TRP 12 4.313 1.477 -4.220
74 HB2 TRP 12 HB2 TRP 12 7.257 1.425 -3.709
75 HB3 TRP 12 HB3 TRP 12 6.637 2.380 -5.056
76 HD1 TRP 12 HD1 TRP 12 7.366 2.688 -1.492
77 HE1 TRP 12 HE1 TRP 12 6.147 4.700 -0.448
78 HE3 TRP 12 HE3 TRP 12 4.077 3.710 -5.283
79 HZ2 TRP 12 HZ2 TRP 12 4.059 6.454 -1.126
80 HZ3 TRP 12 HZ3 TRP 12 2.516 5.584 -5.012
81 HH2 TRP 12 HH2 TRP 12 2.505 6.934 -2.972
82 H ALA 13 H ALA 13 5.076 -1.563 -4.798
83 HA ALA 13 HA ALA 13 5.899 -1.372 -7.565
84 HB1 ALA 13 HB1 ALA 13 4.874 -3.957 -6.698
85 HB2 ALA 13 HB2 ALA 13 6.155 -3.332 -5.660
86 HB3 ALA 13 HB3 ALA 13 6.438 -3.528 -7.389
87 H SER 14 H SER 14 2.978 -1.796 -5.697
88 HA SER 14 HA SER 14 1.258 -2.661 -7.753
89 HB2 SER 14 HB2 SER 14 -0.487 -1.438 -6.167
90 HB3 SER 14 HB3 SER 14 0.284 -2.942 -5.676
91 HG SER 14 HG SER 14 1.368 -1.908 -4.175
92 H DAL 15 H DAL 15 2.507 0.484 -6.885
93 HA DAL 15 HA DAL 15 1.197 1.621 -9.249
94 HB1 DAL 15 HB1 DAL 15 3.017 2.895 -9.567
95 HB2 DAL 15 HB2 DAL 15 3.792 1.678 -8.554
96 HB3 DAL 15 HB3 DAL 15 3.245 3.197 -7.845
97 H ARG 16 H ARG 16 -0.071 1.265 -6.544
98 HA ARG 16 HA ARG 16 -1.216 3.930 -6.374
99 HB2 ARG 16 HB2 ARG 16 -2.987 2.931 -5.169
100 HB3 ARG 16 HB3 ARG 16 -2.528 1.684 -6.327
101 HG2 ARG 16 HG2 ARG 16 -0.989 0.880 -4.349
102 HG3 ARG 16 HG3 ARG 16 -2.169 1.761 -3.374
103 HD2 ARG 16 HD2 ARG 16 -3.972 0.460 -4.495
104 HD3 ARG 16 HD3 ARG 16 -2.727 -0.478 -5.315
105 HE ARG 16 HE ARG 16 -2.374 -1.649 -3.384
106 HH11 ARG 16 HH11 ARG 16 -4.239 1.215 -2.618
107 HH12 ARG 16 HH12 ARG 16 -4.556 0.721 -0.989
108 HH21 ARG 16 HH21 ARG 16 -2.796 -2.293 -1.239
109 HH22 ARG 16 HH22 ARG 16 -3.736 -1.269 -0.205
110 HA PRO 17 HA PRO 17 1.017 5.027 -2.697
111 HB2 PRO 17 HB2 PRO 17 -0.892 6.936 -1.835
112 HB3 PRO 17 HB3 PRO 17 0.536 7.225 -2.831
113 HG2 PRO 17 HG2 PRO 17 -2.120 7.470 -3.660
114 HG3 PRO 17 HG3 PRO 17 -0.707 7.370 -4.722
115 HD2 PRO 17 HD2 PRO 17 -2.660 5.251 -3.959
116 HD3 PRO 17 HD3 PRO 17 -1.792 5.497 -5.485
117 HA PRO 18 HA PRO 18 -0.467 3.078 0.948
118 HB2 PRO 18 HB2 PRO 18 0.154 4.936 2.891
119 HB3 PRO 18 HB3 PRO 18 1.289 3.781 2.204
120 HG2 PRO 18 HG2 PRO 18 0.900 6.666 1.587
121 HG3 PRO 18 HG3 PRO 18 2.397 5.719 1.631
122 HD2 PRO 18 HD2 PRO 18 1.184 6.436 -0.678
123 HD3 PRO 18 HD3 PRO 18 2.104 4.930 -0.509
124 HA PRO 19 HA PRO 19 -4.458 4.807 1.869
125 HB2 PRO 19 HB2 PRO 19 -5.271 2.871 3.606
126 HB3 PRO 19 HB3 PRO 19 -5.227 2.671 1.865
127 HG2 PRO 19 HG2 PRO 19 -3.486 1.517 3.895
128 HG3 PRO 19 HG3 PRO 19 -3.828 0.963 2.258
129 HD2 PRO 19 HD2 PRO 19 -1.521 2.364 3.145
130 HD3 PRO 19 HD3 PRO 19 -1.954 1.912 1.489
131 H SER 20 H SER 20 -5.577 5.880 3.522
132 HA SER 20 HA SER 20 -3.920 6.862 5.663
133 HB2 SER 20 HB2 SER 20 -5.966 8.227 6.233
134 HB3 SER 20 HB3 SER 20 -5.357 8.459 4.595
135 HG SER 20 HG SER 20 -7.449 8.131 4.239
Start of MODEL 11
1 H1 ASP 1 HT1 ASP 1 -5.436 -5.404 7.141
2 H2 ASP 1 HT2 ASP 1 -5.301 -3.695 7.196
3 H3 ASP 1 HT3 ASP 1 -4.498 -4.583 5.966
4 HA ASP 1 HA ASP 1 -6.735 -5.380 5.268
5 HB2 ASP 1 HB2 ASP 1 -7.618 -4.420 7.561
6 HB3 ASP 1 HB3 ASP 1 -7.766 -2.925 6.644
7 H ALA 2 H ALA 2 -5.536 -2.080 5.882
8 HA ALA 2 HA ALA 2 -5.812 -1.531 2.997
9 HB1 ALA 2 HB1 ALA 2 -7.012 -0.162 5.101
10 HB2 ALA 2 HB2 ALA 2 -6.880 0.372 3.426
11 HB3 ALA 2 HB3 ALA 2 -5.665 0.861 4.606
12 H TYR 3 H TYR 3 -4.088 -0.137 5.803
13 HA TYR 3 HA TYR 3 -1.845 0.666 4.261
14 HB2 TYR 3 HB2 TYR 3 -2.697 1.482 6.618
15 HB3 TYR 3 HB3 TYR 3 -1.622 0.221 7.212
16 HD1 TYR 3 HD2 TYR 3 0.786 0.420 6.962
17 HD2 TYR 3 HD1 TYR 3 -1.812 3.492 5.545
18 HE1 TYR 3 HE2 TYR 3 2.697 1.957 6.798
19 HE2 TYR 3 HE1 TYR 3 0.094 5.033 5.402
20 HH TYR 3 HH TYR 3 2.967 4.393 5.122
21 H ALA 4 H ALA 4 -2.322 -2.044 6.531
22 HA ALA 4 HA ALA 4 0.244 -3.182 6.119
23 HB1 ALA 4 HB1 ALA 4 -1.269 -3.647 8.067
24 HB2 ALA 4 HB2 ALA 4 -0.573 -5.082 7.315
25 HB3 ALA 4 HB3 ALA 4 -2.250 -4.640 6.989
26 H GLN 5 H GLN 5 -2.855 -3.476 4.477
27 HA GLN 5 HA GLN 5 -2.184 -5.752 2.903
28 HB2 GLN 5 HB2 GLN 5 -4.510 -5.109 3.295
29 HB3 GLN 5 HB3 GLN 5 -4.247 -3.581 2.467
30 HG2 GLN 5 HG2 GLN 5 -5.375 -4.990 0.953
31 HG3 GLN 5 HG3 GLN 5 -3.701 -4.899 0.412
32 HE21 GLN 5 HE21 GLN 5 -4.224 -6.854 -0.773
33 HE22 GLN 5 HE22 GLN 5 -4.147 -8.380 0.033
34 H TRP 6 H TRP 6 -1.906 -2.260 2.481
35 HA TRP 6 HA TRP 6 -1.167 -2.197 -0.229
36 HB2 TRP 6 HB2 TRP 6 -1.807 -0.178 0.999
37 HB3 TRP 6 HB3 TRP 6 -0.395 -0.333 2.030
38 HD1 TRP 6 HD1 TRP 6 -1.218 0.282 -1.698
39 HE1 TRP 6 HE1 TRP 6 0.638 1.746 -2.687
40 HE3 TRP 6 HE3 TRP 6 1.876 0.541 2.366
41 HZ2 TRP 6 HZ2 TRP 6 3.083 2.875 -1.874
42 HZ3 TRP 6 HZ3 TRP 6 3.958 1.850 2.174
43 HH2 TRP 6 HH2 TRP 6 4.540 3.003 0.095
44 H LEU 7 H LEU 7 0.793 -2.317 2.725
45 HA LEU 7 HA LEU 7 3.309 -2.396 1.450
46 HB2 LEU 7 HB2 LEU 7 2.461 -3.421 4.162
47 HB3 LEU 7 HB3 LEU 7 4.124 -3.253 3.639
48 HG LEU 7 HG LEU 7 2.249 -0.902 3.715
49 HD11 LEU 7 HD11 LEU 7 2.406 -2.047 5.948
50 HD12 LEU 7 HD12 LEU 7 2.949 -0.369 5.910
51 HD13 LEU 7 HD13 LEU 7 4.131 -1.678 5.927
52 HD21 LEU 7 HD21 LEU 7 4.491 0.264 4.050
53 HD22 LEU 7 HD22 LEU 7 4.162 -0.400 2.450
54 HD23 LEU 7 HD23 LEU 7 5.227 -1.263 3.561
55 H ALA 8 H ALA 8 1.015 -4.906 2.371
56 HA ALA 8 HA ALA 8 2.773 -7.093 1.765
57 HB1 ALA 8 HB1 ALA 8 -0.227 -7.152 2.051
58 HB2 ALA 8 HB2 ALA 8 0.905 -7.235 3.401
59 HB3 ALA 8 HB3 ALA 8 0.888 -8.512 2.185
60 H ASP 9 H ASP 9 0.801 -5.007 -0.119
61 HA ASP 9 HA ASP 9 0.470 -6.900 -2.303
62 HB2 ASP 9 HB2 ASP 9 -0.860 -4.519 -1.473
63 HB3 ASP 9 HB3 ASP 9 -0.218 -4.238 -3.087
64 H DAL 10 H DAL 10 3.142 -5.625 -1.314
65 HA DAL 10 HA DAL 10 4.135 -5.018 -4.007
66 HB1 DAL 10 HB1 DAL 10 5.723 -5.787 -1.571
67 HB2 DAL 10 HB2 DAL 10 6.287 -5.724 -3.241
68 HB3 DAL 10 HB3 DAL 10 5.106 -6.940 -2.754
69 H GLY 11 H GLY 11 3.066 -3.303 -1.449
70 HA2 GLY 11 HA2 GLY 11 3.453 -1.204 -0.605
71 HA3 GLY 11 HA3 GLY 11 5.160 -1.467 -0.932
72 H TRP 12 H TRP 12 6.082 -0.599 -2.751
73 HA TRP 12 HA TRP 12 4.410 1.327 -4.174
74 HB2 TRP 12 HB2 TRP 12 7.339 1.114 -3.619
75 HB3 TRP 12 HB3 TRP 12 6.794 2.076 -4.995
76 HD1 TRP 12 HD1 TRP 12 7.492 2.415 -1.428
77 HE1 TRP 12 HE1 TRP 12 6.378 4.514 -0.442
78 HE3 TRP 12 HE3 TRP 12 4.319 3.547 -5.286
79 HZ2 TRP 12 HZ2 TRP 12 4.405 6.373 -1.186
80 HZ3 TRP 12 HZ3 TRP 12 2.866 5.513 -5.075
81 HH2 TRP 12 HH2 TRP 12 2.907 6.903 -3.063
82 H ALA 13 H ALA 13 4.995 -1.762 -4.687
83 HA ALA 13 HA ALA 13 5.863 -1.663 -7.446
84 HB1 ALA 13 HB1 ALA 13 6.559 -3.693 -6.853
85 HB2 ALA 13 HB2 ALA 13 4.879 -4.205 -7.003
86 HB3 ALA 13 HB3 ALA 13 5.517 -3.724 -5.431
87 H SER 14 H SER 14 2.900 -1.904 -5.607
88 HA SER 14 HA SER 14 1.154 -2.705 -7.663
89 HB2 SER 14 HB2 SER 14 -0.526 -1.316 -6.141
90 HB3 SER 14 HB3 SER 14 0.130 -2.858 -5.597
91 HG SER 14 HG SER 14 1.260 -1.860 -4.106
92 H DAL 15 H DAL 15 2.553 0.387 -6.823
93 HA DAL 15 HA DAL 15 1.381 1.539 -9.254
94 HB1 DAL 15 HB1 DAL 15 3.537 2.948 -7.801
95 HB2 DAL 15 HB2 DAL 15 3.267 2.752 -9.533
96 HB3 DAL 15 HB3 DAL 15 3.949 1.427 -8.591
97 H ARG 16 H ARG 16 0.026 1.334 -6.583
98 HA ARG 16 HA ARG 16 -0.916 4.082 -6.491
99 HB2 ARG 16 HB2 ARG 16 -2.803 3.252 -5.358
100 HB3 ARG 16 HB3 ARG 16 -2.389 1.928 -6.444
101 HG2 ARG 16 HG2 ARG 16 -1.076 0.968 -4.456
102 HG3 ARG 16 HG3 ARG 16 -1.996 2.118 -3.479
103 HD2 ARG 16 HD2 ARG 16 -4.079 1.153 -4.568
104 HD3 ARG 16 HD3 ARG 16 -3.046 -0.141 -5.169
105 HE ARG 16 HE ARG 16 -3.802 0.354 -2.389
106 HH11 ARG 16 HH11 ARG 16 -2.017 -1.596 -4.691
107 HH12 ARG 16 HH12 ARG 16 -1.816 -2.919 -3.596
108 HH21 ARG 16 HH21 ARG 16 -3.528 -1.395 -0.955
109 HH22 ARG 16 HH22 ARG 16 -2.674 -2.808 -1.478
110 HA PRO 17 HA PRO 17 1.287 5.093 -2.780
111 HB2 PRO 17 HB2 PRO 17 -0.528 7.126 -1.987
112 HB3 PRO 17 HB3 PRO 17 0.949 7.314 -2.934
113 HG2 PRO 17 HG2 PRO 17 -1.650 7.722 -3.862
114 HG3 PRO 17 HG3 PRO 17 -0.213 7.505 -4.872
115 HD2 PRO 17 HD2 PRO 17 -2.336 5.541 -4.146
116 HD3 PRO 17 HD3 PRO 17 -1.403 5.701 -5.645
117 HA PRO 18 HA PRO 18 -0.366 3.307 0.877
118 HB2 PRO 18 HB2 PRO 18 0.342 5.157 2.792
119 HB3 PRO 18 HB3 PRO 18 1.421 3.936 2.135
120 HG2 PRO 18 HG2 PRO 18 1.184 6.825 1.464
121 HG3 PRO 18 HG3 PRO 18 2.632 5.808 1.551
122 HD2 PRO 18 HD2 PRO 18 1.499 6.533 -0.792
123 HD3 PRO 18 HD3 PRO 18 2.330 4.981 -0.574
124 HA PRO 19 HA PRO 19 -4.250 5.280 1.741
125 HB2 PRO 19 HB2 PRO 19 -5.153 3.495 3.589
126 HB3 PRO 19 HB3 PRO 19 -5.131 3.195 1.863
127 HG2 PRO 19 HG2 PRO 19 -3.442 2.063 3.947
128 HG3 PRO 19 HG3 PRO 19 -3.821 1.439 2.344
129 HD2 PRO 19 HD2 PRO 19 -1.437 2.763 3.147
130 HD3 PRO 19 HD3 PRO 19 -1.903 2.244 1.519
131 H SER 20 H SER 20 -5.284 6.525 3.314
132 HA SER 20 HA SER 20 -4.055 6.719 5.959
133 HB2 SER 20 HB2 SER 20 -4.053 9.247 5.744
134 HB3 SER 20 HB3 SER 20 -2.829 8.406 4.793
135 HG SER 20 HG SER 20 -3.776 9.034 3.008
Start of MODEL 12
1 H1 ASP 1 HT1 ASP 1 -4.844 -2.088 7.982
2 H2 ASP 1 HT2 ASP 1 -6.097 -2.588 9.043
3 H3 ASP 1 HT3 ASP 1 -6.413 -1.413 7.833
4 HA ASP 1 HA ASP 1 -5.815 -4.273 7.487
5 HB2 ASP 1 HB2 ASP 1 -8.201 -2.485 7.018
6 HB3 ASP 1 HB3 ASP 1 -8.055 -4.058 6.239
7 H ALA 2 H ALA 2 -6.694 -1.322 5.660
8 HA ALA 2 HA ALA 2 -5.825 -2.357 3.162
9 HB1 ALA 2 HB1 ALA 2 -7.489 -0.452 3.638
10 HB2 ALA 2 HB2 ALA 2 -6.414 -0.305 2.248
11 HB3 ALA 2 HB3 ALA 2 -6.056 0.571 3.736
12 H TYR 3 H TYR 3 -4.296 -0.359 5.633
13 HA TYR 3 HA TYR 3 -2.025 0.429 4.165
14 HB2 TYR 3 HB2 TYR 3 -2.924 1.170 6.539
15 HB3 TYR 3 HB3 TYR 3 -1.821 -0.078 7.105
16 HD1 TYR 3 HD2 TYR 3 0.579 0.193 6.884
17 HD2 TYR 3 HD1 TYR 3 -2.088 3.224 5.513
18 HE1 TYR 3 HE2 TYR 3 2.449 1.784 6.778
19 HE2 TYR 3 HE1 TYR 3 -0.224 4.821 5.427
20 HH TYR 3 HH TYR 3 2.326 4.775 6.864
21 H ALA 4 H ALA 4 -2.560 -2.367 6.296
22 HA ALA 4 HA ALA 4 0.044 -3.458 5.964
23 HB1 ALA 4 HB1 ALA 4 -0.985 -5.542 6.867
24 HB2 ALA 4 HB2 ALA 4 -2.553 -4.736 6.819
25 HB3 ALA 4 HB3 ALA 4 -1.274 -4.115 7.862
26 H GLN 5 H GLN 5 -2.991 -3.759 4.193
27 HA GLN 5 HA GLN 5 -2.205 -5.958 2.571
28 HB2 GLN 5 HB2 GLN 5 -4.564 -5.323 2.930
29 HB3 GLN 5 HB3 GLN 5 -4.286 -3.822 2.058
30 HG2 GLN 5 HG2 GLN 5 -5.320 -5.239 0.520
31 HG3 GLN 5 HG3 GLN 5 -3.611 -5.258 0.091
32 HE21 GLN 5 HE21 GLN 5 -2.479 -7.142 0.204
33 HE22 GLN 5 HE22 GLN 5 -3.185 -8.663 0.620
34 H TRP 6 H TRP 6 -1.977 -2.450 2.276
35 HA TRP 6 HA TRP 6 -1.148 -2.294 -0.405
36 HB2 TRP 6 HB2 TRP 6 -1.872 -0.324 0.852
37 HB3 TRP 6 HB3 TRP 6 -0.491 -0.478 1.927
38 HD1 TRP 6 HD1 TRP 6 -1.193 0.196 -1.816
39 HE1 TRP 6 HE1 TRP 6 0.664 1.721 -2.708
40 HE3 TRP 6 HE3 TRP 6 1.738 0.453 2.366
41 HZ2 TRP 6 HZ2 TRP 6 3.049 2.891 -1.783
42 HZ3 TRP 6 HZ3 TRP 6 3.795 1.810 2.278
43 HH2 TRP 6 HH2 TRP 6 4.428 3.015 0.242
44 H LEU 7 H LEU 7 0.710 -2.459 2.611
45 HA LEU 7 HA LEU 7 3.269 -2.462 1.418
46 HB2 LEU 7 HB2 LEU 7 2.339 -3.546 4.077
47 HB3 LEU 7 HB3 LEU 7 4.020 -3.371 3.616
48 HG LEU 7 HG LEU 7 2.131 -1.028 3.679
49 HD11 LEU 7 HD11 LEU 7 2.317 -2.260 5.897
50 HD12 LEU 7 HD12 LEU 7 2.723 -0.543 5.892
51 HD13 LEU 7 HD13 LEU 7 4.006 -1.754 5.906
52 HD21 LEU 7 HD21 LEU 7 5.117 -1.357 3.578
53 HD22 LEU 7 HD22 LEU 7 4.349 0.158 4.052
54 HD23 LEU 7 HD23 LEU 7 4.065 -0.508 2.444
55 H ALA 8 H ALA 8 0.998 -5.036 2.218
56 HA ALA 8 HA ALA 8 2.813 -7.176 1.621
57 HB1 ALA 8 HB1 ALA 8 0.956 -8.639 1.967
58 HB2 ALA 8 HB2 ALA 8 -0.191 -7.311 1.792
59 HB3 ALA 8 HB3 ALA 8 0.883 -7.370 3.189
60 H ASP 9 H ASP 9 0.872 -5.088 -0.290
61 HA ASP 9 HA ASP 9 0.654 -6.949 -2.518
62 HB2 ASP 9 HB2 ASP 9 -0.655 -4.479 -1.727
63 HB3 ASP 9 HB3 ASP 9 -0.133 -4.411 -3.405
64 H DAL 10 H DAL 10 3.259 -5.617 -1.420
65 HA DAL 10 HA DAL 10 4.312 -4.922 -4.072
66 HB1 DAL 10 HB1 DAL 10 6.490 -5.535 -3.187
67 HB2 DAL 10 HB2 DAL 10 5.333 -6.846 -2.953
68 HB3 DAL 10 HB3 DAL 10 5.779 -5.809 -1.597
69 H GLY 11 H GLY 11 3.136 -3.296 -1.507
70 HA2 GLY 11 HA2 GLY 11 3.460 -1.214 -0.594
71 HA3 GLY 11 HA3 GLY 11 5.181 -1.441 -0.872
72 H TRP 12 H TRP 12 6.148 -0.511 -2.633
73 HA TRP 12 HA TRP 12 4.489 1.421 -4.066
74 HB2 TRP 12 HB2 TRP 12 7.396 1.260 -3.396
75 HB3 TRP 12 HB3 TRP 12 6.889 2.238 -4.774
76 HD1 TRP 12 HD1 TRP 12 7.449 2.543 -1.186
77 HE1 TRP 12 HE1 TRP 12 6.236 4.590 -0.208
78 HE3 TRP 12 HE3 TRP 12 4.364 3.625 -5.128
79 HZ2 TRP 12 HZ2 TRP 12 4.226 6.394 -0.991
80 HZ3 TRP 12 HZ3 TRP 12 2.840 5.539 -4.937
81 HH2 TRP 12 HH2 TRP 12 2.772 6.901 -2.907
82 H ALA 13 H ALA 13 5.069 -1.624 -4.647
83 HA ALA 13 HA ALA 13 6.070 -1.442 -7.366
84 HB1 ALA 13 HB1 ALA 13 6.802 -3.463 -6.783
85 HB2 ALA 13 HB2 ALA 13 5.147 -4.015 -7.033
86 HB3 ALA 13 HB3 ALA 13 5.693 -3.566 -5.417
87 H SER 14 H SER 14 3.054 -1.795 -5.636
88 HA SER 14 HA SER 14 1.404 -2.587 -7.775
89 HB2 SER 14 HB2 SER 14 -0.364 -1.282 -6.271
90 HB3 SER 14 HB3 SER 14 0.304 -2.831 -5.762
91 HG SER 14 HG SER 14 1.372 -1.869 -4.200
92 H DAL 15 H DAL 15 2.701 0.511 -6.812
93 HA DAL 15 HA DAL 15 1.577 1.700 -9.246
94 HB1 DAL 15 HB1 DAL 15 4.136 1.657 -8.350
95 HB2 DAL 15 HB2 DAL 15 3.590 3.230 -7.770
96 HB3 DAL 15 HB3 DAL 15 3.485 2.837 -9.486
97 H ARG 16 H ARG 16 0.141 1.390 -6.627
98 HA ARG 16 HA ARG 16 -0.881 4.107 -6.500
99 HB2 ARG 16 HB2 ARG 16 -2.775 3.197 -5.436
100 HB3 ARG 16 HB3 ARG 16 -2.296 1.918 -6.548
101 HG2 ARG 16 HG2 ARG 16 -1.007 0.939 -4.551
102 HG3 ARG 16 HG3 ARG 16 -1.991 2.031 -3.569
103 HD2 ARG 16 HD2 ARG 16 -4.009 1.032 -4.752
104 HD3 ARG 16 HD3 ARG 16 -2.916 -0.213 -5.349
105 HE ARG 16 HE ARG 16 -3.762 0.196 -2.578
106 HH11 ARG 16 HH11 ARG 16 -1.900 -1.671 -4.889
107 HH12 ARG 16 HH12 ARG 16 -1.704 -3.018 -3.823
108 HH21 ARG 16 HH21 ARG 16 -3.496 -1.587 -1.184
109 HH22 ARG 16 HH22 ARG 16 -2.608 -2.973 -1.723
110 HA PRO 17 HA PRO 17 1.185 5.095 -2.705
111 HB2 PRO 17 HB2 PRO 17 -0.715 7.056 -1.922
112 HB3 PRO 17 HB3 PRO 17 0.788 7.307 -2.813
113 HG2 PRO 17 HG2 PRO 17 -1.786 7.671 -3.822
114 HG3 PRO 17 HG3 PRO 17 -0.311 7.508 -4.787
115 HD2 PRO 17 HD2 PRO 17 -2.407 5.478 -4.171
116 HD3 PRO 17 HD3 PRO 17 -1.433 5.695 -5.637
117 HA PRO 18 HA PRO 18 -0.507 3.174 0.865
118 HB2 PRO 18 HB2 PRO 18 0.071 5.020 2.832
119 HB3 PRO 18 HB3 PRO 18 1.210 3.841 2.198
120 HG2 PRO 18 HG2 PRO 18 0.904 6.731 1.553
121 HG3 PRO 18 HG3 PRO 18 2.381 5.759 1.681
122 HD2 PRO 18 HD2 PRO 18 1.319 6.474 -0.693
123 HD3 PRO 18 HD3 PRO 18 2.175 4.938 -0.460
124 HA PRO 19 HA PRO 19 -4.484 4.999 1.632
125 HB2 PRO 19 HB2 PRO 19 -5.386 3.166 3.431
126 HB3 PRO 19 HB3 PRO 19 -5.290 2.882 1.705
127 HG2 PRO 19 HG2 PRO 19 -3.637 1.795 3.840
128 HG3 PRO 19 HG3 PRO 19 -3.938 1.169 2.221
129 HD2 PRO 19 HD2 PRO 19 -1.632 2.570 3.114
130 HD3 PRO 19 HD3 PRO 19 -2.023 2.050 1.467
131 H SER 20 H SER 20 -5.082 6.648 2.886
132 HA SER 20 HA SER 20 -3.746 7.069 5.436
133 HB2 SER 20 HB2 SER 20 -4.936 9.298 5.354
134 HB3 SER 20 HB3 SER 20 -3.823 9.000 4.020
135 HG SER 20 HG SER 20 -5.844 9.841 3.319
Start of MODEL 13
1 H1 ASP 1 HT1 ASP 1 -8.558 -4.185 5.882
2 H2 ASP 1 HT2 ASP 1 -7.932 -5.560 6.695
3 H3 ASP 1 HT3 ASP 1 -7.884 -5.478 4.981
4 HA ASP 1 HA ASP 1 -6.446 -3.719 6.857
5 HB2 ASP 1 HB2 ASP 1 -5.841 -6.290 5.561
6 HB3 ASP 1 HB3 ASP 1 -4.599 -5.064 5.328
7 H ALA 2 H ALA 2 -5.378 -2.012 5.960
8 HA ALA 2 HA ALA 2 -5.667 -1.611 3.052
9 HB1 ALA 2 HB1 ALA 2 -6.431 0.523 3.303
10 HB2 ALA 2 HB2 ALA 2 -5.635 0.745 4.861
11 HB3 ALA 2 HB3 ALA 2 -7.116 -0.207 4.755
12 H TYR 3 H TYR 3 -3.961 -0.145 5.836
13 HA TYR 3 HA TYR 3 -1.726 0.666 4.293
14 HB2 TYR 3 HB2 TYR 3 -2.571 1.468 6.656
15 HB3 TYR 3 HB3 TYR 3 -1.485 0.211 7.238
16 HD1 TYR 3 HD1 TYR 3 -1.699 3.468 5.534
17 HD2 TYR 3 HD2 TYR 3 0.914 0.439 7.016
18 HE1 TYR 3 HE1 TYR 3 0.198 5.020 5.375
19 HE2 TYR 3 HE2 TYR 3 2.814 1.986 6.838
20 HH TYR 3 HH TYR 3 2.796 4.930 6.827
21 H ALA 4 H ALA 4 -2.166 -2.042 6.573
22 HA ALA 4 HA ALA 4 0.400 -3.169 6.131
23 HB1 ALA 4 HB1 ALA 4 -0.247 -4.855 7.540
24 HB2 ALA 4 HB2 ALA 4 -1.891 -4.908 6.903
25 HB3 ALA 4 HB3 ALA 4 -1.412 -3.615 8.003
26 H GLN 5 H GLN 5 -2.715 -3.478 4.524
27 HA GLN 5 HA GLN 5 -2.046 -5.745 2.937
28 HB2 GLN 5 HB2 GLN 5 -4.371 -5.152 3.322
29 HB3 GLN 5 HB3 GLN 5 -4.133 -3.585 2.563
30 HG2 GLN 5 HG2 GLN 5 -5.262 -4.980 1.013
31 HG3 GLN 5 HG3 GLN 5 -3.608 -4.771 0.442
32 HE21 GLN 5 HE21 GLN 5 -2.215 -6.521 0.420
33 HE22 GLN 5 HE22 GLN 5 -2.755 -8.145 0.658
34 H TRP 6 H TRP 6 -1.806 -2.248 2.510
35 HA TRP 6 HA TRP 6 -1.083 -2.175 -0.200
36 HB2 TRP 6 HB2 TRP 6 -1.714 -0.162 1.047
37 HB3 TRP 6 HB3 TRP 6 -0.284 -0.316 2.055
38 HD1 TRP 6 HD1 TRP 6 -1.165 0.291 -1.657
39 HE1 TRP 6 HE1 TRP 6 0.669 1.759 -2.680
40 HE3 TRP 6 HE3 TRP 6 1.982 0.582 2.360
41 HZ2 TRP 6 HZ2 TRP 6 3.119 2.902 -1.908
42 HZ3 TRP 6 HZ3 TRP 6 4.055 1.900 2.133
43 HH2 TRP 6 HH2 TRP 6 4.602 3.047 0.041
44 H LEU 7 H LEU 7 0.910 -2.292 2.732
45 HA LEU 7 HA LEU 7 3.412 -2.360 1.429
46 HB2 LEU 7 HB2 LEU 7 2.606 -3.394 4.150
47 HB3 LEU 7 HB3 LEU 7 4.259 -3.188 3.609
48 HG LEU 7 HG LEU 7 2.334 -0.879 3.711
49 HD11 LEU 7 HD11 LEU 7 4.243 -1.647 5.906
50 HD12 LEU 7 HD12 LEU 7 2.516 -2.006 5.940
51 HD13 LEU 7 HD13 LEU 7 3.069 -0.332 5.901
52 HD21 LEU 7 HD21 LEU 7 4.536 0.347 4.014
53 HD22 LEU 7 HD22 LEU 7 4.236 -0.354 2.424
54 HD23 LEU 7 HD23 LEU 7 5.323 -1.163 3.554
55 H ALA 8 H ALA 8 1.148 -4.879 2.399
56 HA ALA 8 HA ALA 8 2.904 -7.061 1.787
57 HB1 ALA 8 HB1 ALA 8 -0.093 -7.168 2.061
58 HB2 ALA 8 HB2 ALA 8 1.014 -7.153 3.434
59 HB3 ALA 8 HB3 ALA 8 1.061 -8.483 2.278
60 H ASP 9 H ASP 9 0.876 -5.012 -0.094
61 HA ASP 9 HA ASP 9 0.555 -6.930 -2.256
62 HB2 ASP 9 HB2 ASP 9 -0.829 -4.600 -1.429
63 HB3 ASP 9 HB3 ASP 9 -0.171 -4.256 -3.024
64 H DAL 10 H DAL 10 3.221 -5.597 -1.315
65 HA DAL 10 HA DAL 10 4.164 -5.003 -4.031
66 HB1 DAL 10 HB1 DAL 10 5.771 -5.787 -1.610
67 HB2 DAL 10 HB2 DAL 10 6.351 -5.659 -3.271
68 HB3 DAL 10 HB3 DAL 10 5.187 -6.911 -2.837
69 H GLY 11 H GLY 11 3.127 -3.283 -1.464
70 HA2 GLY 11 HA2 GLY 11 3.518 -1.178 -0.634
71 HA3 GLY 11 HA3 GLY 11 5.220 -1.436 -0.986
72 H TRP 12 H TRP 12 6.111 -0.584 -2.828
73 HA TRP 12 HA TRP 12 4.410 1.330 -4.236
74 HB2 TRP 12 HB2 TRP 12 7.346 1.141 -3.712
75 HB3 TRP 12 HB3 TRP 12 6.782 2.085 -5.092
76 HD1 TRP 12 HD1 TRP 12 7.527 2.487 -1.547
77 HE1 TRP 12 HE1 TRP 12 6.391 4.580 -0.572
78 HE3 TRP 12 HE3 TRP 12 4.265 3.500 -5.362
79 HZ2 TRP 12 HZ2 TRP 12 4.368 6.389 -1.307
80 HZ3 TRP 12 HZ3 TRP 12 2.778 5.440 -5.154
81 HH2 TRP 12 HH2 TRP 12 2.827 6.861 -3.165
82 H ALA 13 H ALA 13 4.893 -1.736 -4.745
83 HA ALA 13 HA ALA 13 5.761 -1.671 -7.515
84 HB1 ALA 13 HB1 ALA 13 4.675 -4.203 -6.822
85 HB2 ALA 13 HB2 ALA 13 5.682 -3.648 -5.484
86 HB3 ALA 13 HB3 ALA 13 6.359 -3.765 -7.108
87 H SER 14 H SER 14 2.836 -1.901 -5.619
88 HA SER 14 HA SER 14 1.058 -2.726 -7.638
89 HB2 SER 14 HB2 SER 14 -0.604 -1.347 -6.080
90 HB3 SER 14 HB3 SER 14 0.071 -2.888 -5.556
91 HG SER 14 HG SER 14 1.236 -1.892 -4.089
92 H DAL 15 H DAL 15 2.465 0.376 -6.858
93 HA DAL 15 HA DAL 15 1.216 1.509 -9.257
94 HB1 DAL 15 HB1 DAL 15 3.111 2.647 -9.626
95 HB2 DAL 15 HB2 DAL 15 3.817 1.449 -8.543
96 HB3 DAL 15 HB3 DAL 15 3.343 3.029 -7.921
97 H ARG 16 H ARG 16 -0.075 1.297 -6.558
98 HA ARG 16 HA ARG 16 -1.067 4.024 -6.452
99 HB2 ARG 16 HB2 ARG 16 -2.891 3.161 -5.236
100 HB3 ARG 16 HB3 ARG 16 -2.490 1.838 -6.328
101 HG2 ARG 16 HG2 ARG 16 -1.063 0.946 -4.379
102 HG3 ARG 16 HG3 ARG 16 -2.004 2.061 -3.381
103 HD2 ARG 16 HD2 ARG 16 -4.077 1.005 -4.271
104 HD3 ARG 16 HD3 ARG 16 -3.067 -0.172 -5.107
105 HE ARG 16 HE ARG 16 -2.760 -1.270 -3.128
106 HH11 ARG 16 HH11 ARG 16 -4.015 1.925 -2.422
107 HH12 ARG 16 HH12 ARG 16 -4.268 1.587 -0.744
108 HH21 ARG 16 HH21 ARG 16 -3.096 -1.705 -0.915
109 HH22 ARG 16 HH22 ARG 16 -3.747 -0.472 0.113
110 HA PRO 17 HA PRO 17 1.241 5.103 -2.822
111 HB2 PRO 17 HB2 PRO 17 -0.565 7.133 -2.005
112 HB3 PRO 17 HB3 PRO 17 0.874 7.317 -3.010
113 HG2 PRO 17 HG2 PRO 17 -1.763 7.683 -3.850
114 HG3 PRO 17 HG3 PRO 17 -0.361 7.463 -4.907
115 HD2 PRO 17 HD2 PRO 17 -2.428 5.485 -4.066
116 HD3 PRO 17 HD3 PRO 17 -1.561 5.634 -5.604
117 HA PRO 18 HA PRO 18 -0.284 3.326 0.893
118 HB2 PRO 18 HB2 PRO 18 0.441 5.221 2.767
119 HB3 PRO 18 HB3 PRO 18 1.511 3.988 2.117
120 HG2 PRO 18 HG2 PRO 18 1.262 6.863 1.397
121 HG3 PRO 18 HG3 PRO 18 2.710 5.844 1.465
122 HD2 PRO 18 HD2 PRO 18 1.522 6.535 -0.861
123 HD3 PRO 18 HD3 PRO 18 2.353 4.984 -0.639
124 HA PRO 19 HA PRO 19 -4.182 5.265 1.786
125 HB2 PRO 19 HB2 PRO 19 -5.064 3.448 3.612
126 HB3 PRO 19 HB3 PRO 19 -5.049 3.171 1.881
127 HG2 PRO 19 HG2 PRO 19 -3.338 2.027 3.943
128 HG3 PRO 19 HG3 PRO 19 -3.729 1.415 2.338
129 HD2 PRO 19 HD2 PRO 19 -1.343 2.738 3.128
130 HD3 PRO 19 HD3 PRO 19 -1.826 2.245 1.497
131 H SER 20 H SER 20 -5.208 6.485 3.382
132 HA SER 20 HA SER 20 -4.230 6.547 6.088
133 HB2 SER 20 HB2 SER 20 -3.628 9.010 5.960
134 HB3 SER 20 HB3 SER 20 -2.490 7.909 5.186
135 HG SER 20 HG SER 20 -2.946 9.682 3.842
Start of MODEL 14
1 H1 ASP 1 HT1 ASP 1 -4.648 -5.026 5.331
2 H2 ASP 1 HT2 ASP 1 -5.517 -5.637 6.677
3 H3 ASP 1 HT3 ASP 1 -4.981 -4.007 6.669
4 HA ASP 1 HA ASP 1 -7.040 -5.248 4.971
5 HB2 ASP 1 HB2 ASP 1 -6.988 -3.359 7.296
6 HB3 ASP 1 HB3 ASP 1 -8.272 -3.203 6.101
7 H ALA 2 H ALA 2 -5.484 -2.125 5.763
8 HA ALA 2 HA ALA 2 -5.797 -1.357 2.932
9 HB1 ALA 2 HB1 ALA 2 -5.756 0.671 5.132
10 HB2 ALA 2 HB2 ALA 2 -7.252 -0.155 4.699
11 HB3 ALA 2 HB3 ALA 2 -6.397 0.811 3.496
12 H TYR 3 H TYR 3 -4.051 -0.120 5.798
13 HA TYR 3 HA TYR 3 -1.792 0.684 4.273
14 HB2 TYR 3 HB2 TYR 3 -2.650 1.474 6.641
15 HB3 TYR 3 HB3 TYR 3 -1.575 0.205 7.214
16 HD1 TYR 3 HD1 TYR 3 -1.757 3.469 5.514
17 HD2 TYR 3 HD2 TYR 3 0.822 0.427 7.024
18 HE1 TYR 3 HE1 TYR 3 0.150 5.011 5.373
19 HE2 TYR 3 HE2 TYR 3 2.733 1.963 6.865
20 HH TYR 3 HH TYR 3 2.677 4.971 6.821
21 H ALA 4 H ALA 4 -2.289 -2.022 6.549
22 HA ALA 4 HA ALA 4 0.252 -3.199 6.125
23 HB1 ALA 4 HB1 ALA 4 -2.265 -4.631 6.973
24 HB2 ALA 4 HB2 ALA 4 -1.278 -3.658 8.063
25 HB3 ALA 4 HB3 ALA 4 -0.596 -5.096 7.304
26 H GLN 5 H GLN 5 -2.848 -3.448 4.479
27 HA GLN 5 HA GLN 5 -2.208 -5.714 2.880
28 HB2 GLN 5 HB2 GLN 5 -4.523 -5.075 3.245
29 HB3 GLN 5 HB3 GLN 5 -4.242 -3.506 2.505
30 HG2 GLN 5 HG2 GLN 5 -5.383 -4.841 0.922
31 HG3 GLN 5 HG3 GLN 5 -3.713 -4.692 0.378
32 HE21 GLN 5 HE21 GLN 5 -2.879 -6.506 -0.371
33 HE22 GLN 5 HE22 GLN 5 -3.296 -8.105 0.133
34 H TRP 6 H TRP 6 -1.888 -2.222 2.488
35 HA TRP 6 HA TRP 6 -1.133 -2.149 -0.217
36 HB2 TRP 6 HB2 TRP 6 -1.767 -0.136 1.034
37 HB3 TRP 6 HB3 TRP 6 -0.344 -0.302 2.050
38 HD1 TRP 6 HD1 TRP 6 -1.196 0.313 -1.667
39 HE1 TRP 6 HE1 TRP 6 0.656 1.767 -2.676
40 HE3 TRP 6 HE3 TRP 6 1.925 0.583 2.373
41 HZ2 TRP 6 HZ2 TRP 6 3.108 2.893 -1.887
42 HZ3 TRP 6 HZ3 TRP 6 4.008 1.887 2.160
43 HH2 TRP 6 HH2 TRP 6 4.576 3.030 0.072
44 H LEU 7 H LEU 7 0.818 -2.293 2.742
45 HA LEU 7 HA LEU 7 3.334 -2.376 1.468
46 HB2 LEU 7 HB2 LEU 7 2.485 -3.389 4.183
47 HB3 LEU 7 HB3 LEU 7 4.148 -3.210 3.662
48 HG LEU 7 HG LEU 7 2.244 -0.880 3.739
49 HD11 LEU 7 HD11 LEU 7 2.992 -0.325 5.923
50 HD12 LEU 7 HD12 LEU 7 4.155 -1.652 5.930
51 HD13 LEU 7 HD13 LEU 7 2.425 -1.995 5.972
52 HD21 LEU 7 HD21 LEU 7 5.237 -1.170 3.606
53 HD22 LEU 7 HD22 LEU 7 4.434 0.349 4.004
54 HD23 LEU 7 HD23 LEU 7 4.162 -0.406 2.434
55 H ALA 8 H ALA 8 1.035 -4.875 2.399
56 HA ALA 8 HA ALA 8 2.781 -7.075 1.830
57 HB1 ALA 8 HB1 ALA 8 0.670 -8.423 1.997
58 HB2 ALA 8 HB2 ALA 8 -0.191 -6.910 2.281
59 HB3 ALA 8 HB3 ALA 8 1.050 -7.445 3.415
60 H ASP 9 H ASP 9 0.776 -5.023 -0.095
61 HA ASP 9 HA ASP 9 0.527 -6.926 -2.273
62 HB2 ASP 9 HB2 ASP 9 -0.976 -4.747 -1.463
63 HB3 ASP 9 HB3 ASP 9 -0.143 -4.148 -2.894
64 H DAL 10 H DAL 10 3.179 -5.622 -1.266
65 HA DAL 10 HA DAL 10 4.191 -5.026 -3.955
66 HB1 DAL 10 HB1 DAL 10 5.749 -5.781 -1.494
67 HB2 DAL 10 HB2 DAL 10 6.349 -5.694 -3.150
68 HB3 DAL 10 HB3 DAL 10 5.173 -6.929 -2.702
69 H GLY 11 H GLY 11 3.097 -3.294 -1.412
70 HA2 GLY 11 HA2 GLY 11 3.476 -1.184 -0.585
71 HA3 GLY 11 HA3 GLY 11 5.184 -1.444 -0.910
72 H TRP 12 H TRP 12 6.102 -0.612 -2.750
73 HA TRP 12 HA TRP 12 4.422 1.297 -4.191
74 HB2 TRP 12 HB2 TRP 12 7.352 1.110 -3.626
75 HB3 TRP 12 HB3 TRP 12 6.806 2.048 -5.018
76 HD1 TRP 12 HD1 TRP 12 7.511 2.469 -1.468
77 HE1 TRP 12 HE1 TRP 12 6.366 4.568 -0.516
78 HE3 TRP 12 HE3 TRP 12 4.289 3.462 -5.323
79 HZ2 TRP 12 HZ2 TRP 12 4.352 6.373 -1.283
80 HZ3 TRP 12 HZ3 TRP 12 2.800 5.405 -5.140
81 HH2 TRP 12 HH2 TRP 12 2.830 6.836 -3.158
82 H ALA 13 H ALA 13 4.853 -1.759 -4.681
83 HA ALA 13 HA ALA 13 5.774 -1.718 -7.439
84 HB1 ALA 13 HB1 ALA 13 4.728 -4.250 -6.844
85 HB2 ALA 13 HB2 ALA 13 5.562 -3.712 -5.386
86 HB3 ALA 13 HB3 ALA 13 6.423 -3.774 -6.923
87 H SER 14 H SER 14 2.834 -1.909 -5.567
88 HA SER 14 HA SER 14 1.062 -2.745 -7.591
89 HB2 SER 14 HB2 SER 14 -0.597 -1.343 -6.049
90 HB3 SER 14 HB3 SER 14 0.062 -2.887 -5.514
91 HG SER 14 HG SER 14 1.223 -1.891 -4.044
92 H DAL 15 H DAL 15 2.490 0.352 -6.828
93 HA DAL 15 HA DAL 15 1.258 1.482 -9.238
94 HB1 DAL 15 HB1 DAL 15 3.342 2.105 -9.649
95 HB2 DAL 15 HB2 DAL 15 3.864 1.658 -8.026
96 HB3 DAL 15 HB3 DAL 15 3.192 3.260 -8.326
97 H ARG 16 H ARG 16 -0.041 1.291 -6.533
98 HA ARG 16 HA ARG 16 -1.034 4.020 -6.456
99 HB2 ARG 16 HB2 ARG 16 -2.860 3.162 -5.229
100 HB3 ARG 16 HB3 ARG 16 -2.464 1.846 -6.333
101 HG2 ARG 16 HG2 ARG 16 -0.980 1.037 -4.319
102 HG3 ARG 16 HG3 ARG 16 -2.109 2.023 -3.383
103 HD2 ARG 16 HD2 ARG 16 -3.983 0.786 -4.423
104 HD3 ARG 16 HD3 ARG 16 -2.812 -0.237 -5.252
105 HE ARG 16 HE ARG 16 -2.473 -1.387 -3.304
106 HH11 ARG 16 HH11 ARG 16 -4.177 1.581 -2.557
107 HH12 ARG 16 HH12 ARG 16 -4.514 1.119 -0.923
108 HH21 ARG 16 HH21 ARG 16 -2.918 -1.988 -1.152
109 HH22 ARG 16 HH22 ARG 16 -3.798 -0.907 -0.123
110 HA PRO 17 HA PRO 17 1.245 5.120 -2.812
111 HB2 PRO 17 HB2 PRO 17 -0.561 7.156 -2.020
112 HB3 PRO 17 HB3 PRO 17 0.881 7.333 -3.023
113 HG2 PRO 17 HG2 PRO 17 -1.758 7.689 -3.868
114 HG3 PRO 17 HG3 PRO 17 -0.352 7.474 -4.921
115 HD2 PRO 17 HD2 PRO 17 -2.415 5.490 -4.084
116 HD3 PRO 17 HD3 PRO 17 -1.538 5.636 -5.618
117 HA PRO 18 HA PRO 18 -0.312 3.349 0.890
118 HB2 PRO 18 HB2 PRO 18 0.424 5.243 2.765
119 HB3 PRO 18 HB3 PRO 18 1.480 3.991 2.127
120 HG2 PRO 18 HG2 PRO 18 1.283 6.868 1.402
121 HG3 PRO 18 HG3 PRO 18 2.711 5.821 1.468
122 HD2 PRO 18 HD2 PRO 18 1.530 6.540 -0.856
123 HD3 PRO 18 HD3 PRO 18 2.345 4.980 -0.640
124 HA PRO 19 HA PRO 19 -4.197 5.319 1.771
125 HB2 PRO 19 HB2 PRO 19 -5.104 3.494 3.578
126 HB3 PRO 19 HB3 PRO 19 -5.087 3.234 1.845
127 HG2 PRO 19 HG2 PRO 19 -3.396 2.050 3.900
128 HG3 PRO 19 HG3 PRO 19 -3.784 1.462 2.286
129 HD2 PRO 19 HD2 PRO 19 -1.391 2.753 3.105
130 HD3 PRO 19 HD3 PRO 19 -1.868 2.280 1.467
131 H SER 20 H SER 20 -5.219 6.536 3.370
132 HA SER 20 HA SER 20 -3.957 6.675 6.008
133 HB2 SER 20 HB2 SER 20 -2.974 8.417 4.406
134 HB3 SER 20 HB3 SER 20 -4.553 9.199 4.466
135 HG SER 20 HG SER 20 -2.612 8.932 6.461
Start of MODEL 15
1 H1 ASP 1 HT1 ASP 1 -7.582 -4.576 7.776
2 H2 ASP 1 HT2 ASP 1 -8.495 -3.460 6.845
3 H3 ASP 1 HT3 ASP 1 -6.972 -3.001 7.488
4 HA ASP 1 HA ASP 1 -5.884 -4.620 6.130
5 HB2 ASP 1 HB2 ASP 1 -8.219 -5.920 6.097
6 HB3 ASP 1 HB3 ASP 1 -8.394 -5.052 4.576
7 H ALA 2 H ALA 2 -4.995 -2.577 5.641
8 HA ALA 2 HA ALA 2 -5.715 -1.586 3.027
9 HB1 ALA 2 HB1 ALA 2 -6.030 0.158 5.460
10 HB2 ALA 2 HB2 ALA 2 -7.261 -0.272 4.274
11 HB3 ALA 2 HB3 ALA 2 -5.924 0.782 3.815
12 H TYR 3 H TYR 3 -3.963 -0.261 5.850
13 HA TYR 3 HA TYR 3 -1.744 0.576 4.292
14 HB2 TYR 3 HB2 TYR 3 -2.575 1.356 6.669
15 HB3 TYR 3 HB3 TYR 3 -1.476 0.102 7.232
16 HD1 TYR 3 HD1 TYR 3 -1.730 3.380 5.584
17 HD2 TYR 3 HD2 TYR 3 0.925 0.340 6.962
18 HE1 TYR 3 HE1 TYR 3 0.153 4.946 5.422
19 HE2 TYR 3 HE2 TYR 3 2.813 1.903 6.781
20 HH TYR 3 HH TYR 3 2.782 4.841 6.828
21 H ALA 4 H ALA 4 -2.153 -2.149 6.560
22 HA ALA 4 HA ALA 4 0.415 -3.260 6.091
23 HB1 ALA 4 HB1 ALA 4 -0.565 -5.321 7.112
24 HB2 ALA 4 HB2 ALA 4 -2.126 -4.500 7.149
25 HB3 ALA 4 HB3 ALA 4 -0.773 -3.864 8.085
26 H GLN 5 H GLN 5 -2.714 -3.588 4.514
27 HA GLN 5 HA GLN 5 -2.049 -5.839 2.907
28 HB2 GLN 5 HB2 GLN 5 -4.373 -5.217 3.361
29 HB3 GLN 5 HB3 GLN 5 -4.146 -3.689 2.523
30 HG2 GLN 5 HG2 GLN 5 -5.325 -5.220 1.102
31 HG3 GLN 5 HG3 GLN 5 -3.717 -4.919 0.445
32 HE21 GLN 5 HE21 GLN 5 -3.482 -6.785 -0.693
33 HE22 GLN 5 HE22 GLN 5 -3.411 -8.352 0.030
34 H TRP 6 H TRP 6 -1.801 -2.343 2.512
35 HA TRP 6 HA TRP 6 -1.125 -2.257 -0.217
36 HB2 TRP 6 HB2 TRP 6 -1.763 -0.252 1.031
37 HB3 TRP 6 HB3 TRP 6 -0.331 -0.395 2.035
38 HD1 TRP 6 HD1 TRP 6 -1.226 0.223 -1.673
39 HE1 TRP 6 HE1 TRP 6 0.590 1.719 -2.689
40 HE3 TRP 6 HE3 TRP 6 1.934 0.516 2.338
41 HZ2 TRP 6 HZ2 TRP 6 3.030 2.883 -1.914
42 HZ3 TRP 6 HZ3 TRP 6 3.992 1.858 2.114
43 HH2 TRP 6 HH2 TRP 6 4.518 3.027 0.029
44 H LEU 7 H LEU 7 0.898 -2.358 2.694
45 HA LEU 7 HA LEU 7 3.387 -2.396 1.373
46 HB2 LEU 7 HB2 LEU 7 2.603 -3.449 4.092
47 HB3 LEU 7 HB3 LEU 7 4.254 -3.254 3.542
48 HG LEU 7 HG LEU 7 2.361 -0.921 3.640
49 HD11 LEU 7 HD11 LEU 7 3.369 -0.388 5.850
50 HD12 LEU 7 HD12 LEU 7 4.065 -2.009 5.871
51 HD13 LEU 7 HD13 LEU 7 2.313 -1.801 5.861
52 HD21 LEU 7 HD21 LEU 7 4.662 0.193 4.079
53 HD22 LEU 7 HD22 LEU 7 4.243 -0.304 2.439
54 HD23 LEU 7 HD23 LEU 7 5.320 -1.303 3.416
55 H ALA 8 H ALA 8 1.151 -4.944 2.324
56 HA ALA 8 HA ALA 8 2.919 -7.107 1.693
57 HB1 ALA 8 HB1 ALA 8 1.006 -7.224 3.315
58 HB2 ALA 8 HB2 ALA 8 1.084 -8.545 2.149
59 HB3 ALA 8 HB3 ALA 8 -0.080 -7.238 1.925
60 H ASP 9 H ASP 9 0.905 -5.038 -0.182
61 HA ASP 9 HA ASP 9 0.627 -6.926 -2.377
62 HB2 ASP 9 HB2 ASP 9 -0.833 -4.682 -1.521
63 HB3 ASP 9 HB3 ASP 9 -0.105 -4.209 -3.053
64 H DAL 10 H DAL 10 3.273 -5.633 -1.389
65 HA DAL 10 HA DAL 10 4.251 -4.974 -4.074
66 HB1 DAL 10 HB1 DAL 10 6.437 -5.601 -3.262
67 HB2 DAL 10 HB2 DAL 10 5.278 -6.880 -2.899
68 HB3 DAL 10 HB3 DAL 10 5.806 -5.780 -1.626
69 H GLY 11 H GLY 11 3.153 -3.289 -1.506
70 HA2 GLY 11 HA2 GLY 11 3.510 -1.189 -0.647
71 HA3 GLY 11 HA3 GLY 11 5.220 -1.422 -0.983
72 H TRP 12 H TRP 12 6.122 -0.530 -2.797
73 HA TRP 12 HA TRP 12 4.410 1.374 -4.206
74 HB2 TRP 12 HB2 TRP 12 7.339 1.226 -3.640
75 HB3 TRP 12 HB3 TRP 12 6.782 2.176 -5.019
76 HD1 TRP 12 HD1 TRP 12 7.469 2.547 -1.459
77 HE1 TRP 12 HE1 TRP 12 6.294 4.613 -0.476
78 HE3 TRP 12 HE3 TRP 12 4.251 3.565 -5.309
79 HZ2 TRP 12 HZ2 TRP 12 4.259 6.407 -1.220
80 HZ3 TRP 12 HZ3 TRP 12 2.737 5.485 -5.100
81 HH2 TRP 12 HH2 TRP 12 2.740 6.883 -3.093
82 H ALA 13 H ALA 13 4.968 -1.681 -4.744
83 HA ALA 13 HA ALA 13 5.867 -1.557 -7.502
84 HB1 ALA 13 HB1 ALA 13 5.941 -3.527 -5.533
85 HB2 ALA 13 HB2 ALA 13 6.414 -3.689 -7.223
86 HB3 ALA 13 HB3 ALA 13 4.777 -4.110 -6.723
87 H SER 14 H SER 14 2.915 -1.842 -5.653
88 HA SER 14 HA SER 14 1.188 -2.683 -7.719
89 HB2 SER 14 HB2 SER 14 -0.532 -1.375 -6.170
90 HB3 SER 14 HB3 SER 14 0.173 -2.905 -5.654
91 HG SER 14 HG SER 14 1.301 -1.896 -4.160
92 H DAL 15 H DAL 15 2.549 0.421 -6.887
93 HA DAL 15 HA DAL 15 1.297 1.575 -9.272
94 HB1 DAL 15 HB1 DAL 15 3.239 2.573 -9.653
95 HB2 DAL 15 HB2 DAL 15 3.905 1.611 -8.335
96 HB3 DAL 15 HB3 DAL 15 3.300 3.238 -8.021
97 H ARG 16 H ARG 16 0.004 1.298 -6.560
98 HA ARG 16 HA ARG 16 -1.065 3.998 -6.443
99 HB2 ARG 16 HB2 ARG 16 -2.861 3.073 -5.205
100 HB3 ARG 16 HB3 ARG 16 -2.453 1.806 -6.359
101 HG2 ARG 16 HG2 ARG 16 -0.904 1.015 -4.343
102 HG3 ARG 16 HG3 ARG 16 -2.139 1.869 -3.414
103 HD2 ARG 16 HD2 ARG 16 -3.867 0.533 -4.621
104 HD3 ARG 16 HD3 ARG 16 -2.563 -0.387 -5.367
105 HE ARG 16 HE ARG 16 -2.282 -1.533 -3.408
106 HH11 ARG 16 HH11 ARG 16 -4.254 1.293 -2.765
107 HH12 ARG 16 HH12 ARG 16 -4.649 0.799 -1.154
108 HH21 ARG 16 HH21 ARG 16 -2.814 -2.175 -1.285
109 HH22 ARG 16 HH22 ARG 16 -3.832 -1.166 -0.313
110 HA PRO 17 HA PRO 17 1.184 5.104 -2.779
111 HB2 PRO 17 HB2 PRO 17 -0.679 7.080 -1.962
112 HB3 PRO 17 HB3 PRO 17 0.766 7.310 -2.950
113 HG2 PRO 17 HG2 PRO 17 -1.873 7.618 -3.812
114 HG3 PRO 17 HG3 PRO 17 -0.456 7.448 -4.858
115 HD2 PRO 17 HD2 PRO 17 -2.481 5.406 -4.066
116 HD3 PRO 17 HD3 PRO 17 -1.596 5.595 -5.590
117 HA PRO 18 HA PRO 18 -0.365 3.257 0.899
118 HB2 PRO 18 HB2 PRO 18 0.348 5.108 2.810
119 HB3 PRO 18 HB3 PRO 18 1.437 3.912 2.123
120 HG2 PRO 18 HG2 PRO 18 1.124 6.800 1.470
121 HG3 PRO 18 HG3 PRO 18 2.597 5.817 1.532
122 HD2 PRO 18 HD2 PRO 18 1.416 6.518 -0.793
123 HD3 PRO 18 HD3 PRO 18 2.275 4.980 -0.589
124 HA PRO 19 HA PRO 19 -4.269 5.155 1.832
125 HB2 PRO 19 HB2 PRO 19 -5.098 3.349 3.700
126 HB3 PRO 19 HB3 PRO 19 -5.118 3.061 1.971
127 HG2 PRO 19 HG2 PRO 19 -3.367 1.933 4.000
128 HG3 PRO 19 HG3 PRO 19 -3.766 1.326 2.396
129 HD2 PRO 19 HD2 PRO 19 -1.390 2.679 3.176
130 HD3 PRO 19 HD3 PRO 19 -1.874 2.168 1.551
131 H SER 20 H SER 20 -5.166 6.529 3.315
132 HA SER 20 HA SER 20 -4.313 6.577 6.066
133 HB2 SER 20 HB2 SER 20 -2.837 8.113 4.212
134 HB3 SER 20 HB3 SER 20 -3.853 9.252 5.094
135 HG SER 20 HG SER 20 -2.863 8.737 6.941
Start of MODEL 16
1 H1 ASP 1 HT1 ASP 1 -7.429 -4.643 8.046
2 H2 ASP 1 HT2 ASP 1 -6.575 -5.317 6.719
3 H3 ASP 1 HT3 ASP 1 -7.868 -4.221 6.444
4 HA ASP 1 HA ASP 1 -6.634 -2.487 7.534
5 HB2 ASP 1 HB2 ASP 1 -4.678 -4.752 7.832
6 HB3 ASP 1 HB3 ASP 1 -4.105 -3.089 7.776
7 H ALA 2 H ALA 2 -6.489 -1.188 5.828
8 HA ALA 2 HA ALA 2 -5.760 -2.114 3.228
9 HB1 ALA 2 HB1 ALA 2 -5.991 0.761 4.068
10 HB2 ALA 2 HB2 ALA 2 -7.393 -0.262 3.753
11 HB3 ALA 2 HB3 ALA 2 -6.234 0.067 2.465
12 H TYR 3 H TYR 3 -4.147 -0.167 5.706
13 HA TYR 3 HA TYR 3 -1.883 0.559 4.196
14 HB2 TYR 3 HB2 TYR 3 -2.731 1.344 6.574
15 HB3 TYR 3 HB3 TYR 3 -1.643 0.082 7.137
16 HD1 TYR 3 HD1 TYR 3 -1.873 3.363 5.494
17 HD2 TYR 3 HD2 TYR 3 0.756 0.310 6.888
18 HE1 TYR 3 HE1 TYR 3 0.018 4.924 5.356
19 HE2 TYR 3 HE2 TYR 3 2.653 1.865 6.731
20 HH TYR 3 HH TYR 3 2.584 4.858 6.764
21 H ALA 4 H ALA 4 -2.445 -2.200 6.368
22 HA ALA 4 HA ALA 4 0.130 -3.348 6.013
23 HB1 ALA 4 HB1 ALA 4 -1.407 -3.858 7.910
24 HB2 ALA 4 HB2 ALA 4 -0.761 -5.291 7.109
25 HB3 ALA 4 HB3 ALA 4 -2.416 -4.772 6.788
26 H GLN 5 H GLN 5 -2.928 -3.600 4.273
27 HA GLN 5 HA GLN 5 -2.200 -5.837 2.671
28 HB2 GLN 5 HB2 GLN 5 -4.543 -5.197 3.003
29 HB3 GLN 5 HB3 GLN 5 -4.252 -3.663 2.195
30 HG2 GLN 5 HG2 GLN 5 -5.265 -4.955 0.565
31 HG3 GLN 5 HG3 GLN 5 -3.550 -5.077 0.185
32 HE21 GLN 5 HE21 GLN 5 -2.476 -7.023 0.515
33 HE22 GLN 5 HE22 GLN 5 -3.319 -8.508 0.777
34 H TRP 6 H TRP 6 -1.942 -2.334 2.321
35 HA TRP 6 HA TRP 6 -1.118 -2.209 -0.356
36 HB2 TRP 6 HB2 TRP 6 -1.797 -0.224 0.917
37 HB3 TRP 6 HB3 TRP 6 -0.391 -0.391 1.956
38 HD1 TRP 6 HD1 TRP 6 -1.185 0.269 -1.769
39 HE1 TRP 6 HE1 TRP 6 0.670 1.758 -2.724
40 HE3 TRP 6 HE3 TRP 6 1.862 0.517 2.330
41 HZ2 TRP 6 HZ2 TRP 6 3.096 2.900 -1.875
42 HZ3 TRP 6 HZ3 TRP 6 3.934 1.844 2.174
43 HH2 TRP 6 HH2 TRP 6 4.528 3.022 0.113
44 H LEU 7 H LEU 7 0.776 -2.383 2.641
45 HA LEU 7 HA LEU 7 3.315 -2.429 1.410
46 HB2 LEU 7 HB2 LEU 7 2.407 -3.459 4.098
47 HB3 LEU 7 HB3 LEU 7 4.085 -3.321 3.613
48 HG LEU 7 HG LEU 7 2.242 -0.942 3.656
49 HD11 LEU 7 HD11 LEU 7 4.100 -1.724 5.885
50 HD12 LEU 7 HD12 LEU 7 2.377 -2.102 5.890
51 HD13 LEU 7 HD13 LEU 7 2.911 -0.421 5.858
52 HD21 LEU 7 HD21 LEU 7 4.561 0.139 4.076
53 HD22 LEU 7 HD22 LEU 7 4.129 -0.367 2.443
54 HD23 LEU 7 HD23 LEU 7 5.194 -1.373 3.426
55 H ALA 8 H ALA 8 1.029 -4.967 2.279
56 HA ALA 8 HA ALA 8 2.807 -7.139 1.697
57 HB1 ALA 8 HB1 ALA 8 0.753 -7.157 3.233
58 HB2 ALA 8 HB2 ALA 8 1.027 -8.562 2.203
59 HB3 ALA 8 HB3 ALA 8 -0.184 -7.361 1.753
60 H ASP 9 H ASP 9 0.861 -5.056 -0.232
61 HA ASP 9 HA ASP 9 0.635 -6.936 -2.440
62 HB2 ASP 9 HB2 ASP 9 -0.806 -4.642 -1.619
63 HB3 ASP 9 HB3 ASP 9 -0.081 -4.247 -3.174
64 H DAL 10 H DAL 10 3.256 -5.626 -1.377
65 HA DAL 10 HA DAL 10 4.299 -4.971 -4.040
66 HB1 DAL 10 HB1 DAL 10 5.811 -5.761 -1.559
67 HB2 DAL 10 HB2 DAL 10 6.463 -5.600 -3.190
68 HB3 DAL 10 HB3 DAL 10 5.300 -6.876 -2.827
69 H GLY 11 H GLY 11 3.136 -3.290 -1.498
70 HA2 GLY 11 HA2 GLY 11 3.464 -1.188 -0.635
71 HA3 GLY 11 HA3 GLY 11 5.183 -1.420 -0.920
72 H TRP 12 H TRP 12 6.135 -0.550 -2.724
73 HA TRP 12 HA TRP 12 4.473 1.367 -4.173
74 HB2 TRP 12 HB2 TRP 12 7.391 1.188 -3.551
75 HB3 TRP 12 HB3 TRP 12 6.867 2.145 -4.938
76 HD1 TRP 12 HD1 TRP 12 7.496 2.508 -1.367
77 HE1 TRP 12 HE1 TRP 12 6.320 4.584 -0.403
78 HE3 TRP 12 HE3 TRP 12 4.352 3.554 -5.271
79 HZ2 TRP 12 HZ2 TRP 12 4.314 6.394 -1.181
80 HZ3 TRP 12 HZ3 TRP 12 2.851 5.486 -5.087
81 HH2 TRP 12 HH2 TRP 12 2.831 6.884 -3.080
82 H ALA 13 H ALA 13 4.995 -1.692 -4.694
83 HA ALA 13 HA ALA 13 5.958 -1.595 -7.432
84 HB1 ALA 13 HB1 ALA 13 6.069 -3.532 -5.492
85 HB2 ALA 13 HB2 ALA 13 6.380 -3.775 -7.210
86 HB3 ALA 13 HB3 ALA 13 4.781 -4.112 -6.548
87 H SER 14 H SER 14 2.971 -1.835 -5.642
88 HA SER 14 HA SER 14 1.266 -2.653 -7.733
89 HB2 SER 14 HB2 SER 14 -0.455 -1.312 -6.209
90 HB3 SER 14 HB3 SER 14 0.214 -2.856 -5.686
91 HG SER 14 HG SER 14 1.316 -1.873 -4.163
92 H DAL 15 H DAL 15 2.649 0.438 -6.880
93 HA DAL 15 HA DAL 15 1.452 1.602 -9.289
94 HB1 DAL 15 HB1 DAL 15 4.046 1.644 -8.236
95 HB2 DAL 15 HB2 DAL 15 3.425 3.287 -8.075
96 HB3 DAL 15 HB3 DAL 15 3.439 2.499 -9.653
97 H ARG 16 H ARG 16 0.105 1.345 -6.608
98 HA ARG 16 HA ARG 16 -0.932 4.057 -6.506
99 HB2 ARG 16 HB2 ARG 16 -2.761 3.148 -5.307
100 HB3 ARG 16 HB3 ARG 16 -2.342 1.877 -6.454
101 HG2 ARG 16 HG2 ARG 16 -0.828 1.109 -4.382
102 HG3 ARG 16 HG3 ARG 16 -2.129 1.924 -3.508
103 HD2 ARG 16 HD2 ARG 16 -3.765 0.549 -4.775
104 HD3 ARG 16 HD3 ARG 16 -2.416 -0.313 -5.509
105 HE ARG 16 HE ARG 16 -2.137 -1.491 -3.568
106 HH11 ARG 16 HH11 ARG 16 -4.241 1.235 -2.920
107 HH12 ARG 16 HH12 ARG 16 -4.681 0.675 -1.343
108 HH21 ARG 16 HH21 ARG 16 -2.729 -2.223 -1.491
109 HH22 ARG 16 HH22 ARG 16 -3.822 -1.285 -0.530
110 HA PRO 17 HA PRO 17 1.256 5.123 -2.793
111 HB2 PRO 17 HB2 PRO 17 -0.601 7.111 -1.997
112 HB3 PRO 17 HB3 PRO 17 0.860 7.334 -2.961
113 HG2 PRO 17 HG2 PRO 17 -1.765 7.667 -3.858
114 HG3 PRO 17 HG3 PRO 17 -0.332 7.500 -4.884
115 HD2 PRO 17 HD2 PRO 17 -2.382 5.465 -4.144
116 HD3 PRO 17 HD3 PRO 17 -1.468 5.659 -5.651
117 HA PRO 18 HA PRO 18 -0.360 3.266 0.848
118 HB2 PRO 18 HB2 PRO 18 0.292 5.142 2.767
119 HB3 PRO 18 HB3 PRO 18 1.392 3.925 2.135
120 HG2 PRO 18 HG2 PRO 18 1.143 6.808 1.449
121 HG3 PRO 18 HG3 PRO 18 2.595 5.797 1.541
122 HD2 PRO 18 HD2 PRO 18 1.465 6.518 -0.806
123 HD3 PRO 18 HD3 PRO 18 2.305 4.972 -0.586
124 HA PRO 19 HA PRO 19 -4.289 5.165 1.683
125 HB2 PRO 19 HB2 PRO 19 -5.204 3.328 3.467
126 HB3 PRO 19 HB3 PRO 19 -5.128 3.056 1.738
127 HG2 PRO 19 HG2 PRO 19 -3.468 1.934 3.854
128 HG3 PRO 19 HG3 PRO 19 -3.804 1.314 2.239
129 HD2 PRO 19 HD2 PRO 19 -1.459 2.670 3.096
130 HD3 PRO 19 HD3 PRO 19 -1.887 2.165 1.453
131 H SER 20 H SER 20 -5.375 6.354 3.268
132 HA SER 20 HA SER 20 -4.270 6.477 5.960
133 HB2 SER 20 HB2 SER 20 -2.966 8.120 4.579
134 HB3 SER 20 HB3 SER 20 -4.474 8.981 4.271
135 HG SER 20 HG SER 20 -3.060 8.675 6.687
Start of MODEL 17
1 H1 ASP 1 HT1 ASP 1 -8.598 -3.276 7.022
2 H2 ASP 1 HT2 ASP 1 -8.232 -2.834 8.639
3 H3 ASP 1 HT3 ASP 1 -7.234 -3.956 7.808
4 HA ASP 1 HA ASP 1 -7.629 -1.129 7.082
5 HB2 ASP 1 HB2 ASP 1 -5.497 -0.707 8.053
6 HB3 ASP 1 HB3 ASP 1 -6.395 -1.637 9.247
7 H ALA 2 H ALA 2 -6.366 -0.413 5.339
8 HA ALA 2 HA ALA 2 -5.588 -2.545 3.481
9 HB1 ALA 2 HB1 ALA 2 -5.483 -0.134 2.106
10 HB2 ALA 2 HB2 ALA 2 -6.868 0.027 3.185
11 HB3 ALA 2 HB3 ALA 2 -6.780 -1.327 2.059
12 H TYR 3 H TYR 3 -4.102 -0.481 5.659
13 HA TYR 3 HA TYR 3 -1.847 0.381 4.183
14 HB2 TYR 3 HB2 TYR 3 -2.751 1.103 6.556
15 HB3 TYR 3 HB3 TYR 3 -1.644 -0.145 7.117
16 HD1 TYR 3 HD1 TYR 3 -1.915 3.159 5.521
17 HD2 TYR 3 HD2 TYR 3 0.754 0.138 6.913
18 HE1 TYR 3 HE1 TYR 3 -0.054 4.758 5.434
19 HE2 TYR 3 HE2 TYR 3 2.620 1.734 6.806
20 HH TYR 3 HH TYR 3 2.787 4.267 5.158
21 H ALA 4 H ALA 4 -2.290 -2.399 6.376
22 HA ALA 4 HA ALA 4 0.307 -3.460 5.989
23 HB1 ALA 4 HB1 ALA 4 -0.486 -5.421 7.094
24 HB2 ALA 4 HB2 ALA 4 -2.165 -5.025 6.724
25 HB3 ALA 4 HB3 ALA 4 -1.258 -4.036 7.868
26 H GLN 5 H GLN 5 -2.754 -3.865 4.277
27 HA GLN 5 HA GLN 5 -1.933 -6.032 2.637
28 HB2 GLN 5 HB2 GLN 5 -4.294 -5.541 2.972
29 HB3 GLN 5 HB3 GLN 5 -4.095 -3.953 2.243
30 HG2 GLN 5 HG2 GLN 5 -5.131 -5.429 0.666
31 HG3 GLN 5 HG3 GLN 5 -3.505 -5.031 0.116
32 HE21 GLN 5 HE21 GLN 5 -5.565 -7.521 1.425
33 HE22 GLN 5 HE22 GLN 5 -4.520 -8.849 1.067
34 H TRP 6 H TRP 6 -1.816 -2.515 2.320
35 HA TRP 6 HA TRP 6 -1.024 -2.341 -0.366
36 HB2 TRP 6 HB2 TRP 6 -1.753 -0.385 0.922
37 HB3 TRP 6 HB3 TRP 6 -0.337 -0.518 1.952
38 HD1 TRP 6 HD1 TRP 6 -1.184 0.174 -1.753
39 HE1 TRP 6 HE1 TRP 6 0.628 1.716 -2.707
40 HE3 TRP 6 HE3 TRP 6 1.908 0.414 2.311
41 HZ2 TRP 6 HZ2 TRP 6 3.045 2.891 -1.868
42 HZ3 TRP 6 HZ3 TRP 6 3.952 1.786 2.153
43 HH2 TRP 6 HH2 TRP 6 4.498 3.008 0.105
44 H LEU 7 H LEU 7 0.889 -2.492 2.615
45 HA LEU 7 HA LEU 7 3.425 -2.450 1.374
46 HB2 LEU 7 HB2 LEU 7 2.570 -3.550 4.052
47 HB3 LEU 7 HB3 LEU 7 4.236 -3.321 3.560
48 HG LEU 7 HG LEU 7 2.272 -1.042 3.664
49 HD11 LEU 7 HD11 LEU 7 2.526 -2.247 5.875
50 HD12 LEU 7 HD12 LEU 7 2.925 -0.529 5.863
51 HD13 LEU 7 HD13 LEU 7 4.213 -1.734 5.849
52 HD21 LEU 7 HD21 LEU 7 4.199 -0.525 2.367
53 HD22 LEU 7 HD22 LEU 7 5.276 -1.234 3.570
54 HD23 LEU 7 HD23 LEU 7 4.405 0.256 3.935
55 H ALA 8 H ALA 8 1.210 -5.055 2.222
56 HA ALA 8 HA ALA 8 3.045 -7.172 1.600
57 HB1 ALA 8 HB1 ALA 8 0.047 -7.247 1.922
58 HB2 ALA 8 HB2 ALA 8 1.232 -7.496 3.204
59 HB3 ALA 8 HB3 ALA 8 1.119 -8.646 1.872
60 H ASP 9 H ASP 9 1.030 -5.119 -0.278
61 HA ASP 9 HA ASP 9 0.800 -6.983 -2.500
62 HB2 ASP 9 HB2 ASP 9 -0.621 -4.655 -1.649
63 HB3 ASP 9 HB3 ASP 9 0.014 -4.347 -3.261
64 H DAL 10 H DAL 10 3.407 -5.621 -1.454
65 HA DAL 10 HA DAL 10 4.406 -4.927 -4.124
66 HB1 DAL 10 HB1 DAL 10 6.597 -5.513 -3.296
67 HB2 DAL 10 HB2 DAL 10 5.465 -6.823 -2.959
68 HB3 DAL 10 HB3 DAL 10 5.953 -5.725 -1.668
69 H GLY 11 H GLY 11 3.236 -3.301 -1.554
70 HA2 GLY 11 HA2 GLY 11 3.527 -1.203 -0.668
71 HA3 GLY 11 HA3 GLY 11 5.248 -1.392 -0.975
72 H TRP 12 H TRP 12 6.157 -0.485 -2.785
73 HA TRP 12 HA TRP 12 4.436 1.413 -4.190
74 HB2 TRP 12 HB2 TRP 12 7.368 1.281 -3.623
75 HB3 TRP 12 HB3 TRP 12 6.798 2.251 -4.982
76 HD1 TRP 12 HD1 TRP 12 7.472 2.546 -1.408
77 HE1 TRP 12 HE1 TRP 12 6.284 4.588 -0.387
78 HE3 TRP 12 HE3 TRP 12 4.275 3.644 -5.257
79 HZ2 TRP 12 HZ2 TRP 12 4.252 6.393 -1.105
80 HZ3 TRP 12 HZ3 TRP 12 2.757 5.556 -5.014
81 HH2 TRP 12 HH2 TRP 12 2.744 6.907 -2.976
82 H ALA 13 H ALA 13 5.017 -1.632 -4.748
83 HA ALA 13 HA ALA 13 5.934 -1.491 -7.498
84 HB1 ALA 13 HB1 ALA 13 4.870 -4.055 -6.859
85 HB2 ALA 13 HB2 ALA 13 5.870 -3.505 -5.514
86 HB3 ALA 13 HB3 ALA 13 6.547 -3.590 -7.140
87 H SER 14 H SER 14 2.971 -1.821 -5.672
88 HA SER 14 HA SER 14 1.250 -2.628 -7.747
89 HB2 SER 14 HB2 SER 14 -0.459 -1.296 -6.188
90 HB3 SER 14 HB3 SER 14 0.208 -2.851 -5.703
91 HG SER 14 HG SER 14 1.337 -1.903 -4.177
92 H DAL 15 H DAL 15 2.587 0.477 -6.865
93 HA DAL 15 HA DAL 15 1.375 1.643 -9.268
94 HB1 DAL 15 HB1 DAL 15 3.377 3.289 -7.999
95 HB2 DAL 15 HB2 DAL 15 3.326 2.624 -9.631
96 HB3 DAL 15 HB3 DAL 15 3.975 1.659 -8.307
97 H ARG 16 H ARG 16 0.035 1.361 -6.596
98 HA ARG 16 HA ARG 16 -0.987 4.079 -6.461
99 HB2 ARG 16 HB2 ARG 16 -2.844 3.176 -5.332
100 HB3 ARG 16 HB3 ARG 16 -2.396 1.882 -6.442
101 HG2 ARG 16 HG2 ARG 16 -1.027 0.956 -4.460
102 HG3 ARG 16 HG3 ARG 16 -2.019 2.036 -3.475
103 HD2 ARG 16 HD2 ARG 16 -4.003 0.941 -4.775
104 HD3 ARG 16 HD3 ARG 16 -2.846 -0.350 -5.085
105 HE ARG 16 HE ARG 16 -3.952 0.429 -2.491
106 HH11 ARG 16 HH11 ARG 16 -1.845 -1.696 -4.318
107 HH12 ARG 16 HH12 ARG 16 -1.749 -2.878 -3.058
108 HH21 ARG 16 HH21 ARG 16 -3.816 -1.135 -0.841
109 HH22 ARG 16 HH22 ARG 16 -2.869 -2.563 -1.089
110 HA PRO 17 HA PRO 17 1.182 5.098 -2.730
111 HB2 PRO 17 HB2 PRO 17 -0.707 7.048 -1.897
112 HB3 PRO 17 HB3 PRO 17 0.764 7.308 -2.837
113 HG2 PRO 17 HG2 PRO 17 -1.846 7.644 -3.763
114 HG3 PRO 17 HG3 PRO 17 -0.402 7.493 -4.775
115 HD2 PRO 17 HD2 PRO 17 -2.456 5.444 -4.086
116 HD3 PRO 17 HD3 PRO 17 -1.532 5.665 -5.583
117 HA PRO 18 HA PRO 18 -0.409 3.160 0.876
118 HB2 PRO 18 HB2 PRO 18 0.236 4.990 2.838
119 HB3 PRO 18 HB3 PRO 18 1.347 3.807 2.164
120 HG2 PRO 18 HG2 PRO 18 1.053 6.704 1.559
121 HG3 PRO 18 HG3 PRO 18 2.520 5.712 1.617
122 HD2 PRO 18 HD2 PRO 18 1.362 6.479 -0.704
123 HD3 PRO 18 HD3 PRO 18 2.235 4.945 -0.532
124 HA PRO 19 HA PRO 19 -4.357 4.995 1.756
125 HB2 PRO 19 HB2 PRO 19 -5.227 3.122 3.533
126 HB3 PRO 19 HB3 PRO 19 -5.182 2.884 1.798
127 HG2 PRO 19 HG2 PRO 19 -3.482 1.724 3.857
128 HG3 PRO 19 HG3 PRO 19 -3.828 1.149 2.228
129 HD2 PRO 19 HD2 PRO 19 -1.490 2.508 3.106
130 HD3 PRO 19 HD3 PRO 19 -1.924 2.036 1.455
131 H SER 20 H SER 20 -5.446 6.153 3.358
132 HA SER 20 HA SER 20 -4.166 6.354 5.991
133 HB2 SER 20 HB2 SER 20 -4.442 8.861 5.867
134 HB3 SER 20 HB3 SER 20 -3.208 8.200 4.795
135 HG SER 20 HG SER 20 -4.398 8.692 3.091
Start of MODEL 18
1 H1 ASP 1 HT1 ASP 1 -4.872 -4.503 6.076
2 H2 ASP 1 HT2 ASP 1 -5.671 -5.501 4.931
3 H3 ASP 1 HT3 ASP 1 -5.887 -5.777 6.610
4 HA ASP 1 HA ASP 1 -7.783 -4.710 5.672
5 HB2 ASP 1 HB2 ASP 1 -6.738 -4.227 8.012
6 HB3 ASP 1 HB3 ASP 1 -6.335 -2.657 7.326
7 H ALA 2 H ALA 2 -5.099 -2.342 5.698
8 HA ALA 2 HA ALA 2 -5.764 -1.485 3.008
9 HB1 ALA 2 HB1 ALA 2 -5.947 0.458 5.307
10 HB2 ALA 2 HB2 ALA 2 -7.315 -0.182 4.397
11 HB3 ALA 2 HB3 ALA 2 -6.125 0.844 3.596
12 H TYR 3 H TYR 3 -4.027 -0.124 5.821
13 HA TYR 3 HA TYR 3 -1.794 0.692 4.271
14 HB2 TYR 3 HB2 TYR 3 -2.636 1.507 6.627
15 HB3 TYR 3 HB3 TYR 3 -1.563 0.244 7.220
16 HD1 TYR 3 HD1 TYR 3 -1.743 3.506 5.524
17 HD2 TYR 3 HD2 TYR 3 0.839 0.444 6.991
18 HE1 TYR 3 HE1 TYR 3 0.168 5.041 5.378
19 HE2 TYR 3 HE2 TYR 3 2.754 1.974 6.824
20 HH TYR 3 HH TYR 3 2.769 4.909 6.838
21 H ALA 4 H ALA 4 -2.244 -2.014 6.555
22 HA ALA 4 HA ALA 4 0.319 -3.150 6.122
23 HB1 ALA 4 HB1 ALA 4 -0.473 -5.036 7.341
24 HB2 ALA 4 HB2 ALA 4 -2.156 -4.635 6.997
25 HB3 ALA 4 HB3 ALA 4 -1.208 -3.611 8.076
26 H GLN 5 H GLN 5 -2.804 -3.466 4.524
27 HA GLN 5 HA GLN 5 -2.150 -5.730 2.933
28 HB2 GLN 5 HB2 GLN 5 -4.469 -5.106 3.339
29 HB3 GLN 5 HB3 GLN 5 -4.219 -3.555 2.554
30 HG2 GLN 5 HG2 GLN 5 -5.383 -4.978 1.046
31 HG3 GLN 5 HG3 GLN 5 -3.741 -4.760 0.445
32 HE21 GLN 5 HE21 GLN 5 -2.935 -6.553 -0.379
33 HE22 GLN 5 HE22 GLN 5 -3.226 -8.158 0.189
34 H TRP 6 H TRP 6 -1.878 -2.236 2.508
35 HA TRP 6 HA TRP 6 -1.165 -2.176 -0.209
36 HB2 TRP 6 HB2 TRP 6 -1.793 -0.157 1.028
37 HB3 TRP 6 HB3 TRP 6 -0.365 -0.309 2.037
38 HD1 TRP 6 HD1 TRP 6 -1.252 0.297 -1.673
39 HE1 TRP 6 HE1 TRP 6 0.588 1.757 -2.700
40 HE3 TRP 6 HE3 TRP 6 1.915 0.564 2.333
41 HZ2 TRP 6 HZ2 TRP 6 3.049 2.887 -1.932
42 HZ3 TRP 6 HZ3 TRP 6 3.994 1.870 2.101
43 HH2 TRP 6 HH2 TRP 6 4.540 3.018 0.010
44 H LEU 7 H LEU 7 0.826 -2.290 2.725
45 HA LEU 7 HA LEU 7 3.328 -2.366 1.425
46 HB2 LEU 7 HB2 LEU 7 2.521 -3.389 4.148
47 HB3 LEU 7 HB3 LEU 7 4.175 -3.193 3.605
48 HG LEU 7 HG LEU 7 2.254 -0.878 3.706
49 HD11 LEU 7 HD11 LEU 7 2.524 -2.056 5.939
50 HD12 LEU 7 HD12 LEU 7 2.927 -0.340 5.887
51 HD13 LEU 7 HD13 LEU 7 4.212 -1.547 5.881
52 HD21 LEU 7 HD21 LEU 7 5.250 -1.139 3.568
53 HD22 LEU 7 HD22 LEU 7 4.423 0.374 3.937
54 HD23 LEU 7 HD23 LEU 7 4.168 -0.413 2.380
55 H ALA 8 H ALA 8 1.060 -4.883 2.390
56 HA ALA 8 HA ALA 8 2.811 -7.071 1.808
57 HB1 ALA 8 HB1 ALA 8 0.982 -8.482 2.288
58 HB2 ALA 8 HB2 ALA 8 -0.189 -7.206 1.954
59 HB3 ALA 8 HB3 ALA 8 0.834 -7.111 3.388
60 H ASP 9 H ASP 9 0.806 -5.023 -0.116
61 HA ASP 9 HA ASP 9 0.559 -6.927 -2.297
62 HB2 ASP 9 HB2 ASP 9 -0.938 -4.726 -1.480
63 HB3 ASP 9 HB3 ASP 9 -0.137 -4.172 -2.947
64 H DAL 10 H DAL 10 3.204 -5.629 -1.293
65 HA DAL 10 HA DAL 10 4.213 -5.019 -3.978
66 HB1 DAL 10 HB1 DAL 10 5.233 -6.901 -2.763
67 HB2 DAL 10 HB2 DAL 10 5.738 -5.782 -1.497
68 HB3 DAL 10 HB3 DAL 10 6.393 -5.622 -3.127
69 H GLY 11 H GLY 11 3.091 -3.291 -1.444
70 HA2 GLY 11 HA2 GLY 11 3.439 -1.176 -0.622
71 HA3 GLY 11 HA3 GLY 11 5.151 -1.410 -0.943
72 H TRP 12 H TRP 12 6.060 -0.574 -2.782
73 HA TRP 12 HA TRP 12 4.372 1.322 -4.224
74 HB2 TRP 12 HB2 TRP 12 7.305 1.134 -3.682
75 HB3 TRP 12 HB3 TRP 12 6.745 2.079 -5.062
76 HD1 TRP 12 HD1 TRP 12 7.455 2.448 -1.497
77 HE1 TRP 12 HE1 TRP 12 6.339 4.553 -0.526
78 HE3 TRP 12 HE3 TRP 12 4.269 3.546 -5.358
79 HZ2 TRP 12 HZ2 TRP 12 4.363 6.398 -1.278
80 HZ3 TRP 12 HZ3 TRP 12 2.814 5.511 -5.154
81 HH2 TRP 12 HH2 TRP 12 2.860 6.914 -3.153
82 H ALA 13 H ALA 13 4.960 -1.767 -4.697
83 HA ALA 13 HA ALA 13 5.823 -1.710 -7.461
84 HB1 ALA 13 HB1 ALA 13 6.339 -3.842 -7.124
85 HB2 ALA 13 HB2 ALA 13 4.683 -4.225 -6.655
86 HB3 ALA 13 HB3 ALA 13 5.830 -3.648 -5.447
87 H SER 14 H SER 14 2.878 -1.895 -5.603
88 HA SER 14 HA SER 14 1.119 -2.738 -7.637
89 HB2 SER 14 HB2 SER 14 -0.563 -1.370 -6.107
90 HB3 SER 14 HB3 SER 14 0.129 -2.892 -5.550
91 HG SER 14 HG SER 14 1.251 -1.853 -4.082
92 H DAL 15 H DAL 15 2.541 0.360 -6.868
93 HA DAL 15 HA DAL 15 1.306 1.486 -9.277
94 HB1 DAL 15 HB1 DAL 15 3.258 2.453 -9.686
95 HB2 DAL 15 HB2 DAL 15 3.918 1.480 -8.373
96 HB3 DAL 15 HB3 DAL 15 3.356 3.122 -8.058
97 H ARG 16 H ARG 16 0.012 1.293 -6.569
98 HA ARG 16 HA ARG 16 -0.985 4.022 -6.492
99 HB2 ARG 16 HB2 ARG 16 -2.812 3.156 -5.256
100 HB3 ARG 16 HB3 ARG 16 -2.429 1.866 -6.394
101 HG2 ARG 16 HG2 ARG 16 -0.901 1.090 -4.340
102 HG3 ARG 16 HG3 ARG 16 -2.163 1.947 -3.451
103 HD2 ARG 16 HD2 ARG 16 -3.851 0.597 -4.713
104 HD3 ARG 16 HD3 ARG 16 -2.517 -0.336 -5.386
105 HE ARG 16 HE ARG 16 -2.331 -1.450 -3.401
106 HH11 ARG 16 HH11 ARG 16 -4.282 1.412 -2.880
107 HH12 ARG 16 HH12 ARG 16 -4.731 0.961 -1.270
108 HH21 ARG 16 HH21 ARG 16 -2.930 -2.038 -1.279
109 HH22 ARG 16 HH22 ARG 16 -3.964 -0.995 -0.361
110 HA PRO 17 HA PRO 17 1.269 5.111 -2.825
111 HB2 PRO 17 HB2 PRO 17 -0.566 7.122 -2.024
112 HB3 PRO 17 HB3 PRO 17 0.889 7.323 -3.003
113 HG2 PRO 17 HG2 PRO 17 -1.733 7.678 -3.886
114 HG3 PRO 17 HG3 PRO 17 -0.312 7.471 -4.921
115 HD2 PRO 17 HD2 PRO 17 -2.385 5.478 -4.127
116 HD3 PRO 17 HD3 PRO 17 -1.489 5.639 -5.649
117 HA PRO 18 HA PRO 18 -0.325 3.328 0.865
118 HB2 PRO 18 HB2 PRO 18 0.400 5.188 2.764
119 HB3 PRO 18 HB3 PRO 18 1.477 3.971 2.095
120 HG2 PRO 18 HG2 PRO 18 1.213 6.857 1.419
121 HG3 PRO 18 HG3 PRO 18 2.669 5.849 1.489
122 HD2 PRO 18 HD2 PRO 18 1.496 6.561 -0.840
123 HD3 PRO 18 HD3 PRO 18 2.345 5.018 -0.631
124 HA PRO 19 HA PRO 19 -4.208 5.303 1.748
125 HB2 PRO 19 HB2 PRO 19 -5.104 3.512 3.594
126 HB3 PRO 19 HB3 PRO 19 -5.094 3.220 1.866
127 HG2 PRO 19 HG2 PRO 19 -3.393 2.075 3.934
128 HG3 PRO 19 HG3 PRO 19 -3.787 1.459 2.331
129 HD2 PRO 19 HD2 PRO 19 -1.392 2.770 3.121
130 HD3 PRO 19 HD3 PRO 19 -1.873 2.264 1.493
131 H SER 20 H SER 20 -5.238 6.537 3.336
132 HA SER 20 HA SER 20 -3.729 6.919 5.840
133 HB2 SER 20 HB2 SER 20 -3.530 8.780 4.082
134 HB3 SER 20 HB3 SER 20 -5.218 9.138 4.442
135 HG SER 20 HG SER 20 -3.045 9.871 5.797
Start of MODEL 19
1 H1 ASP 1 HT1 ASP 1 -7.925 -3.495 6.667
2 H2 ASP 1 HT2 ASP 1 -7.873 -5.187 6.950
3 H3 ASP 1 HT3 ASP 1 -8.563 -4.578 5.501
4 HA ASP 1 HA ASP 1 -5.743 -4.387 6.326
5 HB2 ASP 1 HB2 ASP 1 -7.300 -6.399 4.950
6 HB3 ASP 1 HB3 ASP 1 -6.060 -5.753 3.881
7 H ALA 2 H ALA 2 -5.219 -2.332 5.798
8 HA ALA 2 HA ALA 2 -5.697 -1.498 3.015
9 HB1 ALA 2 HB1 ALA 2 -7.249 -0.212 4.263
10 HB2 ALA 2 HB2 ALA 2 -5.898 0.858 3.889
11 HB3 ALA 2 HB3 ALA 2 -6.050 0.160 5.501
12 H TYR 3 H TYR 3 -3.955 -0.201 5.856
13 HA TYR 3 HA TYR 3 -1.736 0.652 4.298
14 HB2 TYR 3 HB2 TYR 3 -2.583 1.453 6.658
15 HB3 TYR 3 HB3 TYR 3 -1.491 0.204 7.245
16 HD1 TYR 3 HD1 TYR 3 -1.720 3.467 5.560
17 HD2 TYR 3 HD2 TYR 3 0.910 0.436 7.002
18 HE1 TYR 3 HE1 TYR 3 0.169 5.027 5.404
19 HE2 TYR 3 HE2 TYR 3 2.805 1.992 6.826
20 HH TYR 3 HH TYR 3 2.747 4.968 6.824
21 H ALA 4 H ALA 4 -2.125 -2.050 6.602
22 HA ALA 4 HA ALA 4 0.442 -3.158 6.143
23 HB1 ALA 4 HB1 ALA 4 -0.816 -3.725 8.136
24 HB2 ALA 4 HB2 ALA 4 -0.486 -5.189 7.209
25 HB3 ALA 4 HB3 ALA 4 -2.089 -4.456 7.159
26 H GLN 5 H GLN 5 -2.685 -3.510 4.568
27 HA GLN 5 HA GLN 5 -2.024 -5.765 2.970
28 HB2 GLN 5 HB2 GLN 5 -4.347 -5.105 3.418
29 HB3 GLN 5 HB3 GLN 5 -4.098 -3.601 2.545
30 HG2 GLN 5 HG2 GLN 5 -5.211 -4.961 1.032
31 HG3 GLN 5 HG3 GLN 5 -3.523 -5.062 0.542
32 HE21 GLN 5 HE21 GLN 5 -5.232 -6.960 -0.322
33 HE22 GLN 5 HE22 GLN 5 -4.928 -8.461 0.476
34 H TRP 6 H TRP 6 -1.785 -2.267 2.543
35 HA TRP 6 HA TRP 6 -1.089 -2.204 -0.177
36 HB2 TRP 6 HB2 TRP 6 -1.728 -0.191 1.060
37 HB3 TRP 6 HB3 TRP 6 -0.292 -0.328 2.061
38 HD1 TRP 6 HD1 TRP 6 -1.209 0.278 -1.644
39 HE1 TRP 6 HE1 TRP 6 0.617 1.747 -2.682
40 HE3 TRP 6 HE3 TRP 6 1.983 0.554 2.340
41 HZ2 TRP 6 HZ2 TRP 6 3.078 2.885 -1.932
42 HZ3 TRP 6 HZ3 TRP 6 4.054 1.870 2.095
43 HH2 TRP 6 HH2 TRP 6 4.582 3.021 0.001
44 H LEU 7 H LEU 7 0.921 -2.301 2.742
45 HA LEU 7 HA LEU 7 3.416 -2.355 1.423
46 HB2 LEU 7 HB2 LEU 7 2.637 -3.392 4.151
47 HB3 LEU 7 HB3 LEU 7 4.284 -3.170 3.598
48 HG LEU 7 HG LEU 7 2.336 -0.880 3.714
49 HD11 LEU 7 HD11 LEU 7 2.978 -0.352 5.899
50 HD12 LEU 7 HD12 LEU 7 4.304 -1.516 5.887
51 HD13 LEU 7 HD13 LEU 7 2.634 -2.081 5.942
52 HD21 LEU 7 HD21 LEU 7 5.338 -1.098 3.598
53 HD22 LEU 7 HD22 LEU 7 4.477 0.404 3.938
54 HD23 LEU 7 HD23 LEU 7 4.256 -0.407 2.387
55 H ALA 8 H ALA 8 1.173 -4.888 2.403
56 HA ALA 8 HA ALA 8 2.950 -7.052 1.769
57 HB1 ALA 8 HB1 ALA 8 1.424 -7.684 3.367
58 HB2 ALA 8 HB2 ALA 8 0.686 -8.348 1.909
59 HB3 ALA 8 HB3 ALA 8 0.090 -6.833 2.587
60 H ASP 9 H ASP 9 0.904 -5.011 -0.081
61 HA ASP 9 HA ASP 9 0.548 -6.937 -2.234
62 HB2 ASP 9 HB2 ASP 9 -0.714 -4.447 -1.445
63 HB3 ASP 9 HB3 ASP 9 -0.272 -4.413 -3.147
64 H DAL 10 H DAL 10 3.214 -5.608 -1.323
65 HA DAL 10 HA DAL 10 4.134 -5.004 -4.044
66 HB1 DAL 10 HB1 DAL 10 5.766 -5.777 -1.637
67 HB2 DAL 10 HB2 DAL 10 6.322 -5.667 -3.307
68 HB3 DAL 10 HB3 DAL 10 5.162 -6.912 -2.844
69 H GLY 11 H GLY 11 3.117 -3.288 -1.464
70 HA2 GLY 11 HA2 GLY 11 3.509 -1.182 -0.639
71 HA3 GLY 11 HA3 GLY 11 5.210 -1.438 -1.001
72 H TRP 12 H TRP 12 6.089 -0.581 -2.845
73 HA TRP 12 HA TRP 12 4.378 1.329 -4.245
74 HB2 TRP 12 HB2 TRP 12 7.318 1.140 -3.744
75 HB3 TRP 12 HB3 TRP 12 6.740 2.091 -5.113
76 HD1 TRP 12 HD1 TRP 12 7.501 2.452 -1.560
77 HE1 TRP 12 HE1 TRP 12 6.390 4.548 -0.564
78 HE3 TRP 12 HE3 TRP 12 4.249 3.543 -5.365
79 HZ2 TRP 12 HZ2 TRP 12 4.391 6.387 -1.279
80 HZ3 TRP 12 HZ3 TRP 12 2.786 5.499 -5.133
81 HH2 TRP 12 HH2 TRP 12 2.854 6.897 -3.129
82 H ALA 13 H ALA 13 4.908 -1.746 -4.750
83 HA ALA 13 HA ALA 13 5.745 -1.676 -7.525
84 HB1 ALA 13 HB1 ALA 13 5.962 -3.589 -5.597
85 HB2 ALA 13 HB2 ALA 13 6.123 -3.873 -7.329
86 HB3 ALA 13 HB3 ALA 13 4.580 -4.168 -6.528
87 H SER 14 H SER 14 2.826 -1.906 -5.619
88 HA SER 14 HA SER 14 1.038 -2.724 -7.631
89 HB2 SER 14 HB2 SER 14 -0.613 -1.339 -6.072
90 HB3 SER 14 HB3 SER 14 0.062 -2.877 -5.543
91 HG SER 14 HG SER 14 1.221 -1.874 -4.078
92 H DAL 15 H DAL 15 2.453 0.375 -6.845
93 HA DAL 15 HA DAL 15 1.214 1.508 -9.250
94 HB1 DAL 15 HB1 DAL 15 3.096 2.698 -9.599
95 HB2 DAL 15 HB2 DAL 15 3.803 1.411 -8.625
96 HB3 DAL 15 HB3 DAL 15 3.391 2.955 -7.880
97 H ARG 16 H ARG 16 -0.070 1.320 -6.544
98 HA ARG 16 HA ARG 16 -1.023 4.066 -6.452
99 HB2 ARG 16 HB2 ARG 16 -2.876 3.236 -5.262
100 HB3 ARG 16 HB3 ARG 16 -2.486 1.907 -6.351
101 HG2 ARG 16 HG2 ARG 16 -1.104 0.981 -4.384
102 HG3 ARG 16 HG3 ARG 16 -2.027 2.120 -3.398
103 HD2 ARG 16 HD2 ARG 16 -4.100 1.088 -4.532
104 HD3 ARG 16 HD3 ARG 16 -3.021 -0.229 -4.983
105 HE ARG 16 HE ARG 16 -3.871 0.493 -2.276
106 HH11 ARG 16 HH11 ARG 16 -2.038 -1.650 -4.360
107 HH12 ARG 16 HH12 ARG 16 -1.885 -2.883 -3.156
108 HH21 ARG 16 HH21 ARG 16 -3.659 -1.137 -0.700
109 HH22 ARG 16 HH22 ARG 16 -2.806 -2.595 -1.082
110 HA PRO 17 HA PRO 17 1.254 5.115 -2.794
111 HB2 PRO 17 HB2 PRO 17 -0.564 7.133 -1.968
112 HB3 PRO 17 HB3 PRO 17 0.890 7.332 -2.948
113 HG2 PRO 17 HG2 PRO 17 -1.733 7.712 -3.821
114 HG3 PRO 17 HG3 PRO 17 -0.316 7.502 -4.862
115 HD2 PRO 17 HD2 PRO 17 -2.404 5.522 -4.079
116 HD3 PRO 17 HD3 PRO 17 -1.508 5.685 -5.600
117 HA PRO 18 HA PRO 18 -0.307 3.310 0.897
118 HB2 PRO 18 HB2 PRO 18 0.420 5.172 2.797
119 HB3 PRO 18 HB3 PRO 18 1.493 3.952 2.128
120 HG2 PRO 18 HG2 PRO 18 1.234 6.838 1.452
121 HG3 PRO 18 HG3 PRO 18 2.688 5.826 1.514
122 HD2 PRO 18 HD2 PRO 18 1.510 6.542 -0.809
123 HD3 PRO 18 HD3 PRO 18 2.348 4.993 -0.604
124 HA PRO 19 HA PRO 19 -4.195 5.256 1.805
125 HB2 PRO 19 HB2 PRO 19 -5.065 3.454 3.658
126 HB3 PRO 19 HB3 PRO 19 -5.073 3.171 1.928
127 HG2 PRO 19 HG2 PRO 19 -3.350 2.018 3.971
128 HG3 PRO 19 HG3 PRO 19 -3.748 1.416 2.365
129 HD2 PRO 19 HD2 PRO 19 -1.358 2.735 3.156
130 HD3 PRO 19 HD3 PRO 19 -1.842 2.236 1.527
131 H SER 20 H SER 20 -5.196 6.516 3.372
132 HA SER 20 HA SER 20 -4.161 6.620 6.071
133 HB2 SER 20 HB2 SER 20 -2.684 8.099 4.507
134 HB3 SER 20 HB3 SER 20 -4.056 9.206 4.545
135 HG SER 20 HG SER 20 -3.421 9.807 6.444
Start of MODEL 20
1 H1 ASP 1 HT1 ASP 1 -5.468 -2.163 7.850
2 H2 ASP 1 HT2 ASP 1 -4.828 -3.724 7.528
3 H3 ASP 1 HT3 ASP 1 -5.981 -3.509 8.780
4 HA ASP 1 HA ASP 1 -7.029 -4.484 6.929
5 HB2 ASP 1 HB2 ASP 1 -8.053 -2.572 8.352
6 HB3 ASP 1 HB3 ASP 1 -7.833 -1.580 6.914
7 H ALA 2 H ALA 2 -6.050 -1.189 5.934
8 HA ALA 2 HA ALA 2 -5.768 -2.187 3.179
9 HB1 ALA 2 HB1 ALA 2 -6.098 0.665 4.087
10 HB2 ALA 2 HB2 ALA 2 -7.413 -0.375 3.540
11 HB3 ALA 2 HB3 ALA 2 -6.119 0.069 2.428
12 H TYR 3 H TYR 3 -4.182 -0.232 5.672
13 HA TYR 3 HA TYR 3 -1.905 0.497 4.192
14 HB2 TYR 3 HB2 TYR 3 -2.768 1.268 6.566
15 HB3 TYR 3 HB3 TYR 3 -1.694 -0.005 7.132
16 HD1 TYR 3 HD2 TYR 3 0.713 0.201 6.893
17 HD2 TYR 3 HD1 TYR 3 -1.884 3.297 5.526
18 HE1 TYR 3 HE2 TYR 3 2.623 1.741 6.764
19 HE2 TYR 3 HE1 TYR 3 0.023 4.841 5.414
20 HH TYR 3 HH TYR 3 2.617 4.694 6.848
21 H ALA 4 H ALA 4 -2.489 -2.286 6.323
22 HA ALA 4 HA ALA 4 0.098 -3.424 5.979
23 HB1 ALA 4 HB1 ALA 4 -0.737 -5.314 7.134
24 HB2 ALA 4 HB2 ALA 4 -2.404 -4.938 6.700
25 HB3 ALA 4 HB3 ALA 4 -1.541 -3.916 7.848
26 H GLN 5 H GLN 5 -2.954 -3.673 4.228
27 HA GLN 5 HA GLN 5 -2.219 -5.902 2.616
28 HB2 GLN 5 HB2 GLN 5 -4.566 -5.238 2.981
29 HB3 GLN 5 HB3 GLN 5 -4.272 -3.734 2.119
30 HG2 GLN 5 HG2 GLN 5 -5.346 -5.146 0.590
31 HG3 GLN 5 HG3 GLN 5 -3.647 -5.140 0.129
32 HE21 GLN 5 HE21 GLN 5 -4.452 -7.118 -1.013
33 HE22 GLN 5 HE22 GLN 5 -4.376 -8.615 -0.153
34 H TRP 6 H TRP 6 -1.938 -2.402 2.311
35 HA TRP 6 HA TRP 6 -1.127 -2.262 -0.376
36 HB2 TRP 6 HB2 TRP 6 -1.829 -0.288 0.899
37 HB3 TRP 6 HB3 TRP 6 -0.425 -0.446 1.942
38 HD1 TRP 6 HD1 TRP 6 -1.216 0.232 -1.781
39 HE1 TRP 6 HE1 TRP 6 0.630 1.743 -2.719
40 HE3 TRP 6 HE3 TRP 6 1.825 0.459 2.325
41 HZ2 TRP 6 HZ2 TRP 6 3.047 2.892 -1.855
42 HZ3 TRP 6 HZ3 TRP 6 3.890 1.801 2.183
43 HH2 TRP 6 HH2 TRP 6 4.477 3.003 0.134
44 H LEU 7 H LEU 7 0.757 -2.434 2.627
45 HA LEU 7 HA LEU 7 3.302 -2.457 1.408
46 HB2 LEU 7 HB2 LEU 7 2.388 -3.508 4.086
47 HB3 LEU 7 HB3 LEU 7 4.067 -3.361 3.608
48 HG LEU 7 HG LEU 7 2.208 -0.994 3.668
49 HD11 LEU 7 HD11 LEU 7 4.103 -1.741 5.874
50 HD12 LEU 7 HD12 LEU 7 2.397 -2.188 5.895
51 HD13 LEU 7 HD13 LEU 7 2.862 -0.487 5.866
52 HD21 LEU 7 HD21 LEU 7 4.108 -0.467 2.412
53 HD22 LEU 7 HD22 LEU 7 5.179 -1.376 3.479
54 HD23 LEU 7 HD23 LEU 7 4.475 0.146 4.024
55 H ALA 8 H ALA 8 1.035 -5.018 2.268
56 HA ALA 8 HA ALA 8 2.826 -7.173 1.676
57 HB1 ALA 8 HB1 ALA 8 -0.182 -7.217 1.895
58 HB2 ALA 8 HB2 ALA 8 0.941 -7.408 3.241
59 HB3 ALA 8 HB3 ALA 8 0.898 -8.610 1.952
60 H ASP 9 H ASP 9 0.900 -5.086 -0.257
61 HA ASP 9 HA ASP 9 0.692 -6.963 -2.474
62 HB2 ASP 9 HB2 ASP 9 -0.579 -4.427 -1.734
63 HB3 ASP 9 HB3 ASP 9 -0.143 -4.502 -3.437
64 H DAL 10 H DAL 10 3.295 -5.643 -1.393
65 HA DAL 10 HA DAL 10 4.344 -4.956 -4.045
66 HB1 DAL 10 HB1 DAL 10 6.507 -5.576 -3.197
67 HB2 DAL 10 HB2 DAL 10 5.354 -6.859 -2.828
68 HB3 DAL 10 HB3 DAL 10 5.859 -5.736 -1.565
69 H GLY 11 H GLY 11 3.144 -3.298 -1.515
70 HA2 GLY 11 HA2 GLY 11 3.445 -1.200 -0.633
71 HA3 GLY 11 HA3 GLY 11 5.169 -1.413 -0.904
72 H TRP 12 H TRP 12 6.129 -0.510 -2.684
73 HA TRP 12 HA TRP 12 4.465 1.400 -4.137
74 HB2 TRP 12 HB2 TRP 12 7.379 1.233 -3.497
75 HB3 TRP 12 HB3 TRP 12 6.858 2.202 -4.875
76 HD1 TRP 12 HD1 TRP 12 7.464 2.530 -1.296
77 HE1 TRP 12 HE1 TRP 12 6.271 4.589 -0.318
78 HE3 TRP 12 HE3 TRP 12 4.339 3.601 -5.209
79 HZ2 TRP 12 HZ2 TRP 12 4.261 6.396 -1.088
80 HZ3 TRP 12 HZ3 TRP 12 2.826 5.523 -5.013
81 HH2 TRP 12 HH2 TRP 12 2.787 6.897 -2.991
82 H ALA 13 H ALA 13 5.039 -1.657 -4.680
83 HA ALA 13 HA ALA 13 6.013 -1.516 -7.409
84 HB1 ALA 13 HB1 ALA 13 6.525 -3.663 -7.149
85 HB2 ALA 13 HB2 ALA 13 4.881 -4.067 -6.656
86 HB3 ALA 13 HB3 ALA 13 6.045 -3.495 -5.461
87 H SER 14 H SER 14 3.010 -1.826 -5.652
88 HA SER 14 HA SER 14 1.340 -2.633 -7.772
89 HB2 SER 14 HB2 SER 14 -0.412 -1.320 -6.257
90 HB3 SER 14 HB3 SER 14 0.259 -2.867 -5.749
91 HG SER 14 HG SER 14 1.338 -1.901 -4.198
92 H DAL 15 H DAL 15 2.658 0.467 -6.845
93 HA DAL 15 HA DAL 15 1.503 1.641 -9.272
94 HB1 DAL 15 HB1 DAL 15 3.394 2.818 -9.531
95 HB2 DAL 15 HB2 DAL 15 4.070 1.585 -8.469
96 HB3 DAL 15 HB3 DAL 15 3.563 3.138 -7.806
97 H ARG 16 H ARG 16 0.103 1.359 -6.630
98 HA ARG 16 HA ARG 16 -0.906 4.082 -6.513
99 HB2 ARG 16 HB2 ARG 16 -2.787 3.190 -5.414
100 HB3 ARG 16 HB3 ARG 16 -2.327 1.895 -6.516
101 HG2 ARG 16 HG2 ARG 16 -1.012 0.941 -4.521
102 HG3 ARG 16 HG3 ARG 16 -1.986 2.044 -3.543
103 HD2 ARG 16 HD2 ARG 16 -4.010 1.024 -4.732
104 HD3 ARG 16 HD3 ARG 16 -2.910 -0.247 -5.257
105 HE ARG 16 HE ARG 16 -3.797 0.285 -2.520
106 HH11 ARG 16 HH11 ARG 16 -1.893 -1.680 -4.712
107 HH12 ARG 16 HH12 ARG 16 -1.725 -2.983 -3.587
108 HH21 ARG 16 HH21 ARG 16 -3.569 -1.440 -1.049
109 HH22 ARG 16 HH22 ARG 16 -2.676 -2.850 -1.512
110 HA PRO 17 HA PRO 17 1.211 5.100 -2.755
111 HB2 PRO 17 HB2 PRO 17 -0.665 7.073 -1.961
112 HB3 PRO 17 HB3 PRO 17 0.815 7.312 -2.892
113 HG2 PRO 17 HG2 PRO 17 -1.790 7.657 -3.838
114 HG3 PRO 17 HG3 PRO 17 -0.337 7.498 -4.838
115 HD2 PRO 17 HD2 PRO 17 -2.405 5.460 -4.161
116 HD3 PRO 17 HD3 PRO 17 -1.462 5.669 -5.647
117 HA PRO 18 HA PRO 18 -0.446 3.215 0.849
118 HB2 PRO 18 HB2 PRO 18 0.222 5.032 2.804
119 HB3 PRO 18 HB3 PRO 18 1.328 3.848 2.123
120 HG2 PRO 18 HG2 PRO 18 1.030 6.747 1.513
121 HG3 PRO 18 HG3 PRO 18 2.501 5.763 1.594
122 HD2 PRO 18 HD2 PRO 18 1.376 6.503 -0.746
123 HD3 PRO 18 HD3 PRO 18 2.235 4.964 -0.548
124 HA PRO 19 HA PRO 19 -4.366 5.106 1.728
125 HB2 PRO 19 HB2 PRO 19 -5.234 3.291 3.569
126 HB3 PRO 19 HB3 PRO 19 -5.214 3.008 1.840
127 HG2 PRO 19 HG2 PRO 19 -3.503 1.881 3.905
128 HG3 PRO 19 HG3 PRO 19 -3.873 1.272 2.294
129 HD2 PRO 19 HD2 PRO 19 -1.511 2.625 3.114
130 HD3 PRO 19 HD3 PRO 19 -1.967 2.117 1.480
131 H SER 20 H SER 20 -5.322 6.439 3.229
132 HA SER 20 HA SER 20 -4.074 6.637 5.881
133 HB2 SER 20 HB2 SER 20 -4.232 9.152 5.671
134 HB3 SER 20 HB3 SER 20 -3.017 8.394 4.643
135 HG SER 20 HG SER 20 -4.135 8.918 2.910
Start of MODEL 21
1 H1 ASP 1 HT1 ASP 1 -7.953 -4.847 7.357
2 H2 ASP 1 HT2 ASP 1 -8.782 -4.039 6.090
3 H3 ASP 1 HT3 ASP 1 -7.725 -3.165 7.122
4 HA ASP 1 HA ASP 1 -5.871 -4.424 6.321
5 HB2 ASP 1 HB2 ASP 1 -8.089 -5.839 4.907
6 HB3 ASP 1 HB3 ASP 1 -6.540 -5.704 4.083
7 H ALA 2 H ALA 2 -5.063 -2.492 5.702
8 HA ALA 2 HA ALA 2 -5.680 -1.576 3.008
9 HB1 ALA 2 HB1 ALA 2 -5.998 0.749 3.706
10 HB2 ALA 2 HB2 ALA 2 -5.912 0.251 5.395
11 HB3 ALA 2 HB3 ALA 2 -7.240 -0.307 4.377
12 H TYR 3 H TYR 3 -3.954 -0.277 5.858
13 HA TYR 3 HA TYR 3 -1.721 0.572 4.326
14 HB2 TYR 3 HB2 TYR 3 -2.570 1.340 6.699
15 HB3 TYR 3 HB3 TYR 3 -1.482 0.077 7.265
16 HD1 TYR 3 HD1 TYR 3 -1.696 3.350 5.589
17 HD2 TYR 3 HD2 TYR 3 0.915 0.316 7.061
18 HE1 TYR 3 HE1 TYR 3 0.199 4.906 5.447
19 HE2 TYR 3 HE2 TYR 3 2.813 1.868 6.901
20 HH TYR 3 HH TYR 3 3.100 4.261 5.214
21 H ALA 4 H ALA 4 -2.144 -2.158 6.586
22 HA ALA 4 HA ALA 4 0.419 -3.278 6.129
23 HB1 ALA 4 HB1 ALA 4 -2.036 -4.806 6.981
24 HB2 ALA 4 HB2 ALA 4 -1.120 -3.769 8.075
25 HB3 ALA 4 HB3 ALA 4 -0.347 -5.172 7.338
26 H GLN 5 H GLN 5 -2.702 -3.602 4.527
27 HA GLN 5 HA GLN 5 -2.019 -5.843 2.912
28 HB2 GLN 5 HB2 GLN 5 -4.345 -5.287 3.308
29 HB3 GLN 5 HB3 GLN 5 -4.128 -3.700 2.584
30 HG2 GLN 5 HG2 GLN 5 -5.259 -5.106 1.024
31 HG3 GLN 5 HG3 GLN 5 -3.629 -4.797 0.429
32 HE21 GLN 5 HE21 GLN 5 -2.307 -6.481 0.025
33 HE22 GLN 5 HE22 GLN 5 -2.706 -8.134 0.328
34 H TRP 6 H TRP 6 -1.819 -2.341 2.509
35 HA TRP 6 HA TRP 6 -1.109 -2.240 -0.203
36 HB2 TRP 6 HB2 TRP 6 -1.759 -0.247 1.069
37 HB3 TRP 6 HB3 TRP 6 -0.318 -0.391 2.062
38 HD1 TRP 6 HD1 TRP 6 -1.245 0.242 -1.635
39 HE1 TRP 6 HE1 TRP 6 0.561 1.745 -2.659
40 HE3 TRP 6 HE3 TRP 6 1.943 0.526 2.354
41 HZ2 TRP 6 HZ2 TRP 6 3.007 2.910 -1.898
42 HZ3 TRP 6 HZ3 TRP 6 3.997 1.871 2.121
43 HH2 TRP 6 HH2 TRP 6 4.507 3.049 0.038
44 H LEU 7 H LEU 7 0.898 -2.368 2.718
45 HA LEU 7 HA LEU 7 3.395 -2.383 1.407
46 HB2 LEU 7 HB2 LEU 7 2.612 -3.449 4.121
47 HB3 LEU 7 HB3 LEU 7 4.262 -3.220 3.578
48 HG LEU 7 HG LEU 7 2.302 -0.940 3.706
49 HD11 LEU 7 HD11 LEU 7 4.244 -1.713 5.871
50 HD12 LEU 7 HD12 LEU 7 2.515 -2.055 5.925
51 HD13 LEU 7 HD13 LEU 7 3.082 -0.386 5.887
52 HD21 LEU 7 HD21 LEU 7 4.195 -0.405 2.388
53 HD22 LEU 7 HD22 LEU 7 5.299 -1.157 3.541
54 HD23 LEU 7 HD23 LEU 7 4.464 0.338 3.965
55 H ALA 8 H ALA 8 1.176 -4.952 2.351
56 HA ALA 8 HA ALA 8 2.963 -7.101 1.729
57 HB1 ALA 8 HB1 ALA 8 0.403 -6.827 2.928
58 HB2 ALA 8 HB2 ALA 8 1.458 -8.239 2.892
59 HB3 ALA 8 HB3 ALA 8 0.272 -7.991 1.610
60 H ASP 9 H ASP 9 0.903 -5.067 -0.149
61 HA ASP 9 HA ASP 9 0.667 -6.945 -2.351
62 HB2 ASP 9 HB2 ASP 9 -0.846 -4.767 -1.494
63 HB3 ASP 9 HB3 ASP 9 -0.074 -4.198 -2.970
64 H DAL 10 H DAL 10 3.300 -5.606 -1.355
65 HA DAL 10 HA DAL 10 4.275 -4.954 -4.043
66 HB1 DAL 10 HB1 DAL 10 6.474 -5.533 -3.215
67 HB2 DAL 10 HB2 DAL 10 5.336 -6.835 -2.865
68 HB3 DAL 10 HB3 DAL 10 5.831 -5.727 -1.585
69 H GLY 11 H GLY 11 3.150 -3.273 -1.481
70 HA2 GLY 11 HA2 GLY 11 3.472 -1.162 -0.638
71 HA3 GLY 11 HA3 GLY 11 5.185 -1.370 -0.971
72 H TRP 12 H TRP 12 6.072 -0.500 -2.807
73 HA TRP 12 HA TRP 12 4.347 1.386 -4.221
74 HB2 TRP 12 HB2 TRP 12 7.284 1.242 -3.688
75 HB3 TRP 12 HB3 TRP 12 6.705 2.190 -5.059
76 HD1 TRP 12 HD1 TRP 12 7.431 2.553 -1.502
77 HE1 TRP 12 HE1 TRP 12 6.274 4.625 -0.507
78 HE3 TRP 12 HE3 TRP 12 4.185 3.593 -5.325
79 HZ2 TRP 12 HZ2 TRP 12 4.243 6.427 -1.231
80 HZ3 TRP 12 HZ3 TRP 12 2.683 5.519 -5.100
81 HH2 TRP 12 HH2 TRP 12 2.710 6.914 -3.091
82 H ALA 13 H ALA 13 4.950 -1.681 -4.733
83 HA ALA 13 HA ALA 13 5.812 -1.582 -7.499
84 HB1 ALA 13 HB1 ALA 13 4.773 -4.137 -6.843
85 HB2 ALA 13 HB2 ALA 13 5.734 -3.575 -5.476
86 HB3 ALA 13 HB3 ALA 13 6.453 -3.662 -7.083
87 H SER 14 H SER 14 2.878 -1.845 -5.627
88 HA SER 14 HA SER 14 1.126 -2.698 -7.665
89 HB2 SER 14 HB2 SER 14 -0.576 -1.386 -6.107
90 HB3 SER 14 HB3 SER 14 0.149 -2.902 -5.577
91 HG SER 14 HG SER 14 1.260 -1.865 -4.100
92 H DAL 15 H DAL 15 2.494 0.414 -6.871
93 HA DAL 15 HA DAL 15 1.218 1.550 -9.253
94 HB1 DAL 15 HB1 DAL 15 3.241 2.328 -9.678
95 HB2 DAL 15 HB2 DAL 15 3.835 1.704 -8.140
96 HB3 DAL 15 HB3 DAL 15 3.151 3.326 -8.227
97 H ARG 16 H ARG 16 -0.049 1.295 -6.529
98 HA ARG 16 HA ARG 16 -1.106 4.001 -6.415
99 HB2 ARG 16 HB2 ARG 16 -2.900 3.087 -5.169
100 HB3 ARG 16 HB3 ARG 16 -2.501 1.812 -6.317
101 HG2 ARG 16 HG2 ARG 16 -0.941 1.039 -4.297
102 HG3 ARG 16 HG3 ARG 16 -2.187 1.887 -3.375
103 HD2 ARG 16 HD2 ARG 16 -3.901 0.535 -4.577
104 HD3 ARG 16 HD3 ARG 16 -2.591 -0.375 -5.325
105 HE ARG 16 HE ARG 16 -2.301 -1.520 -3.367
106 HH11 ARG 16 HH11 ARG 16 -4.284 1.295 -2.717
107 HH12 ARG 16 HH12 ARG 16 -4.676 0.796 -1.107
108 HH21 ARG 16 HH21 ARG 16 -2.827 -2.170 -1.246
109 HH22 ARG 16 HH22 ARG 16 -3.848 -1.167 -0.270
110 HA PRO 17 HA PRO 17 1.168 5.100 -2.766
111 HB2 PRO 17 HB2 PRO 17 -0.681 7.082 -1.935
112 HB3 PRO 17 HB3 PRO 17 0.751 7.307 -2.941
113 HG2 PRO 17 HG2 PRO 17 -1.900 7.615 -3.768
114 HG3 PRO 17 HG3 PRO 17 -0.494 7.448 -4.831
115 HD2 PRO 17 HD2 PRO 17 -2.507 5.405 -4.016
116 HD3 PRO 17 HD3 PRO 17 -1.641 5.595 -5.551
117 HA PRO 18 HA PRO 18 -0.355 3.269 0.925
118 HB2 PRO 18 HB2 PRO 18 0.357 5.125 2.832
119 HB3 PRO 18 HB3 PRO 18 1.449 3.935 2.138
120 HG2 PRO 18 HG2 PRO 18 1.119 6.822 1.492
121 HG3 PRO 18 HG3 PRO 18 2.596 5.843 1.538
122 HD2 PRO 18 HD2 PRO 18 1.385 6.548 -0.773
123 HD3 PRO 18 HD3 PRO 18 2.265 5.020 -0.584
124 HA PRO 19 HA PRO 19 -4.273 5.142 1.857
125 HB2 PRO 19 HB2 PRO 19 -5.104 3.320 3.703
126 HB3 PRO 19 HB3 PRO 19 -5.108 3.039 1.974
127 HG2 PRO 19 HG2 PRO 19 -3.353 1.926 4.014
128 HG3 PRO 19 HG3 PRO 19 -3.755 1.305 2.415
129 HD2 PRO 19 HD2 PRO 19 -1.379 2.662 3.172
130 HD3 PRO 19 HD3 PRO 19 -1.878 2.164 1.548
131 H SER 20 H SER 20 -4.916 6.716 3.202
132 HA SER 20 HA SER 20 -4.324 6.659 6.021
133 HB2 SER 20 HB2 SER 20 -3.190 8.943 5.932
134 HB3 SER 20 HB3 SER 20 -2.225 7.575 5.381
135 HG SER 20 HG SER 20 -2.293 8.309 3.381
Start of MODEL 22
1 H1 ASP 1 HT1 ASP 1 -6.228 -0.676 7.701
2 H2 ASP 1 HT2 ASP 1 -5.031 -1.881 7.951
3 H3 ASP 1 HT3 ASP 1 -6.372 -1.767 9.016
4 HA ASP 1 HA ASP 1 -6.789 -3.561 7.636
5 HB2 ASP 1 HB2 ASP 1 -8.266 -1.061 6.783
6 HB3 ASP 1 HB3 ASP 1 -8.777 -2.684 6.331
7 H ALA 2 H ALA 2 -6.488 -0.729 5.469
8 HA ALA 2 HA ALA 2 -5.705 -2.486 3.281
9 HB1 ALA 2 HB1 ALA 2 -6.263 0.475 3.341
10 HB2 ALA 2 HB2 ALA 2 -7.347 -0.797 2.777
11 HB3 ALA 2 HB3 ALA 2 -5.860 -0.451 1.895
12 H TYR 3 H TYR 3 -4.214 -0.415 5.599
13 HA TYR 3 HA TYR 3 -1.925 0.378 4.162
14 HB2 TYR 3 HB2 TYR 3 -2.840 1.102 6.535
15 HB3 TYR 3 HB3 TYR 3 -1.746 -0.156 7.095
16 HD1 TYR 3 HD1 TYR 3 -1.985 3.159 5.518
17 HD2 TYR 3 HD2 TYR 3 0.656 0.109 6.900
18 HE1 TYR 3 HE1 TYR 3 -0.112 4.744 5.447
19 HE2 TYR 3 HE2 TYR 3 2.534 1.691 6.810
20 HH TYR 3 HH TYR 3 2.435 4.673 6.905
21 H ALA 4 H ALA 4 -2.478 -2.427 6.285
22 HA ALA 4 HA ALA 4 0.121 -3.524 5.954
23 HB1 ALA 4 HB1 ALA 4 -1.205 -4.198 7.839
24 HB2 ALA 4 HB2 ALA 4 -0.921 -5.617 6.831
25 HB3 ALA 4 HB3 ALA 4 -2.484 -4.802 6.786
26 H GLN 5 H GLN 5 -2.916 -3.857 4.179
27 HA GLN 5 HA GLN 5 -2.099 -6.028 2.541
28 HB2 GLN 5 HB2 GLN 5 -4.464 -5.451 2.874
29 HB3 GLN 5 HB3 GLN 5 -4.209 -3.911 2.066
30 HG2 GLN 5 HG2 GLN 5 -5.212 -5.297 0.472
31 HG3 GLN 5 HG3 GLN 5 -3.505 -5.239 0.042
32 HE21 GLN 5 HE21 GLN 5 -2.218 -7.072 0.364
33 HE22 GLN 5 HE22 GLN 5 -2.907 -8.639 0.596
34 H TRP 6 H TRP 6 -1.904 -2.517 2.268
35 HA TRP 6 HA TRP 6 -1.073 -2.329 -0.408
36 HB2 TRP 6 HB2 TRP 6 -1.807 -0.380 0.887
37 HB3 TRP 6 HB3 TRP 6 -0.408 -0.534 1.938
38 HD1 TRP 6 HD1 TRP 6 -1.180 0.178 -1.781
39 HE1 TRP 6 HE1 TRP 6 0.648 1.727 -2.688
40 HE3 TRP 6 HE3 TRP 6 1.827 0.399 2.348
41 HZ2 TRP 6 HZ2 TRP 6 3.043 2.899 -1.795
42 HZ3 TRP 6 HZ3 TRP 6 3.874 1.771 2.236
43 HH2 TRP 6 HH2 TRP 6 4.459 3.006 0.206
44 H LEU 7 H LEU 7 0.791 -2.514 2.605
45 HA LEU 7 HA LEU 7 3.347 -2.490 1.405
46 HB2 LEU 7 HB2 LEU 7 2.426 -3.588 4.063
47 HB3 LEU 7 HB3 LEU 7 4.106 -3.401 3.603
48 HG LEU 7 HG LEU 7 2.201 -1.071 3.675
49 HD11 LEU 7 HD11 LEU 7 2.873 -0.571 5.889
50 HD12 LEU 7 HD12 LEU 7 4.062 -1.875 5.897
51 HD13 LEU 7 HD13 LEU 7 2.338 -2.252 5.885
52 HD21 LEU 7 HD21 LEU 7 5.176 -1.405 3.498
53 HD22 LEU 7 HD22 LEU 7 4.458 0.091 4.097
54 HD23 LEU 7 HD23 LEU 7 4.099 -0.466 2.463
55 H ALA 8 H ALA 8 1.100 -5.083 2.214
56 HA ALA 8 HA ALA 8 2.921 -7.211 1.606
57 HB1 ALA 8 HB1 ALA 8 -0.053 -7.131 2.048
58 HB2 ALA 8 HB2 ALA 8 1.198 -7.705 3.150
59 HB3 ALA 8 HB3 ALA 8 0.827 -8.615 1.686
60 H ASP 9 H ASP 9 0.968 -5.127 -0.302
61 HA ASP 9 HA ASP 9 0.779 -6.985 -2.537
62 HB2 ASP 9 HB2 ASP 9 -0.548 -4.506 -1.755
63 HB3 ASP 9 HB3 ASP 9 -0.065 -4.490 -3.447
64 H DAL 10 H DAL 10 3.366 -5.647 -1.439
65 HA DAL 10 HA DAL 10 4.415 -4.929 -4.083
66 HB1 DAL 10 HB1 DAL 10 5.949 -5.682 -1.607
67 HB2 DAL 10 HB2 DAL 10 6.574 -5.545 -3.251
68 HB3 DAL 10 HB3 DAL 10 5.434 -6.828 -2.845
69 H GLY 11 H GLY 11 3.184 -3.304 -1.545
70 HA2 GLY 11 HA2 GLY 11 3.456 -1.210 -0.645
71 HA3 GLY 11 HA3 GLY 11 5.183 -1.395 -0.921
72 H TRP 12 H TRP 12 6.124 -0.468 -2.700
73 HA TRP 12 HA TRP 12 4.433 1.438 -4.125
74 HB2 TRP 12 HB2 TRP 12 7.356 1.281 -3.519
75 HB3 TRP 12 HB3 TRP 12 6.811 2.263 -4.879
76 HD1 TRP 12 HD1 TRP 12 7.439 2.533 -1.294
77 HE1 TRP 12 HE1 TRP 12 6.252 4.578 -0.277
78 HE3 TRP 12 HE3 TRP 12 4.303 3.674 -5.179
79 HZ2 TRP 12 HZ2 TRP 12 4.242 6.400 -1.012
80 HZ3 TRP 12 HZ3 TRP 12 2.795 5.595 -4.946
81 HH2 TRP 12 HH2 TRP 12 2.763 6.935 -2.901
82 H ALA 13 H ALA 13 5.118 -1.628 -4.690
83 HA ALA 13 HA ALA 13 6.038 -1.448 -7.427
84 HB1 ALA 13 HB1 ALA 13 6.693 -3.525 -7.028
85 HB2 ALA 13 HB2 ALA 13 5.008 -4.027 -6.893
86 HB3 ALA 13 HB3 ALA 13 5.889 -3.500 -5.459
87 H SER 14 H SER 14 3.038 -1.805 -5.668
88 HA SER 14 HA SER 14 1.372 -2.605 -7.795
89 HB2 SER 14 HB2 SER 14 -0.388 -1.312 -6.267
90 HB3 SER 14 HB3 SER 14 0.289 -2.861 -5.775
91 HG SER 14 HG SER 14 1.367 -1.907 -4.216
92 H DAL 15 H DAL 15 2.664 0.499 -6.842
93 HA DAL 15 HA DAL 15 1.495 1.688 -9.256
94 HB1 DAL 15 HB1 DAL 15 4.057 1.637 -8.517
95 HB2 DAL 15 HB2 DAL 15 3.567 3.143 -7.741
96 HB3 DAL 15 HB3 DAL 15 3.356 2.937 -9.480
97 H ARG 16 H ARG 16 0.096 1.364 -6.624
98 HA ARG 16 HA ARG 16 -0.935 4.075 -6.473
99 HB2 ARG 16 HB2 ARG 16 -2.807 3.153 -5.385
100 HB3 ARG 16 HB3 ARG 16 -2.334 1.874 -6.500
101 HG2 ARG 16 HG2 ARG 16 -1.010 0.912 -4.516
102 HG3 ARG 16 HG3 ARG 16 -1.993 1.996 -3.525
103 HD2 ARG 16 HD2 ARG 16 -4.013 0.977 -4.694
104 HD3 ARG 16 HD3 ARG 16 -2.913 -0.264 -5.287
105 HE ARG 16 HE ARG 16 -3.749 0.159 -2.515
106 HH11 ARG 16 HH11 ARG 16 -1.886 -1.710 -4.822
107 HH12 ARG 16 HH12 ARG 16 -1.681 -3.053 -3.750
108 HH21 ARG 16 HH21 ARG 16 -3.471 -1.616 -1.112
109 HH22 ARG 16 HH22 ARG 16 -2.581 -3.002 -1.648
110 HA PRO 17 HA PRO 17 1.184 5.068 -2.708
111 HB2 PRO 17 HB2 PRO 17 -0.705 7.025 -1.897
112 HB3 PRO 17 HB3 PRO 17 0.778 7.279 -2.819
113 HG2 PRO 17 HG2 PRO 17 -1.819 7.629 -3.776
114 HG3 PRO 17 HG3 PRO 17 -0.363 7.474 -4.771
115 HD2 PRO 17 HD2 PRO 17 -2.434 5.431 -4.110
116 HD3 PRO 17 HD3 PRO 17 -1.491 5.653 -5.596
117 HA PRO 18 HA PRO 18 -0.465 3.148 0.880
118 HB2 PRO 18 HB2 PRO 18 0.167 4.965 2.850
119 HB3 PRO 18 HB3 PRO 18 1.289 3.793 2.174
120 HG2 PRO 18 HG2 PRO 18 0.974 6.693 1.577
121 HG3 PRO 18 HG3 PRO 18 2.451 5.716 1.657
122 HD2 PRO 18 HD2 PRO 18 1.324 6.470 -0.681
123 HD3 PRO 18 HD3 PRO 18 2.201 4.940 -0.494
124 HA PRO 19 HA PRO 19 -4.412 4.996 1.740
125 HB2 PRO 19 HB2 PRO 19 -5.299 3.126 3.508
126 HB3 PRO 19 HB3 PRO 19 -5.234 2.882 1.774
127 HG2 PRO 19 HG2 PRO 19 -3.553 1.735 3.858
128 HG3 PRO 19 HG3 PRO 19 -3.886 1.148 2.231
129 HD2 PRO 19 HD2 PRO 19 -1.555 2.514 3.116
130 HD3 PRO 19 HD3 PRO 19 -1.976 2.031 1.466
131 H SER 20 H SER 20 -5.508 6.154 3.338
132 HA SER 20 HA SER 20 -4.172 6.400 5.947
133 HB2 SER 20 HB2 SER 20 -4.639 8.882 5.834
134 HB3 SER 20 HB3 SER 20 -3.398 8.307 4.722
135 HG SER 20 HG SER 20 -4.818 9.679 3.638
Start of MODEL 23
1 H1 ASP 1 HT1 ASP 1 -8.923 -2.614 6.931
2 H2 ASP 1 HT2 ASP 1 -8.633 -1.954 8.487
3 H3 ASP 1 HT3 ASP 1 -7.669 -3.251 7.910
4 HA ASP 1 HA ASP 1 -7.801 -0.540 6.765
5 HB2 ASP 1 HB2 ASP 1 -5.736 -0.108 7.831
6 HB3 ASP 1 HB3 ASP 1 -6.718 -0.885 9.068
7 H ALA 2 H ALA 2 -6.278 -0.157 5.084
8 HA ALA 2 HA ALA 2 -5.530 -2.600 3.617
9 HB1 ALA 2 HB1 ALA 2 -5.484 -1.038 1.619
10 HB2 ALA 2 HB2 ALA 2 -6.261 0.153 2.662
11 HB3 ALA 2 HB3 ALA 2 -7.066 -1.378 2.320
12 H TYR 3 H TYR 3 -4.054 -0.632 5.671
13 HA TYR 3 HA TYR 3 -1.805 0.311 4.211
14 HB2 TYR 3 HB2 TYR 3 -2.729 0.991 6.587
15 HB3 TYR 3 HB3 TYR 3 -1.615 -0.256 7.137
16 HD1 TYR 3 HD1 TYR 3 -1.890 3.050 5.524
17 HD2 TYR 3 HD2 TYR 3 0.772 0.062 6.998
18 HE1 TYR 3 HE1 TYR 3 -0.037 4.659 5.450
19 HE2 TYR 3 HE2 TYR 3 2.630 1.667 6.906
20 HH TYR 3 HH TYR 3 2.854 4.133 5.248
21 H ALA 4 H ALA 4 -2.187 -2.470 6.429
22 HA ALA 4 HA ALA 4 0.402 -3.516 5.992
23 HB1 ALA 4 HB1 ALA 4 -1.215 -4.105 7.868
24 HB2 ALA 4 HB2 ALA 4 -0.321 -5.444 7.148
25 HB3 ALA 4 HB3 ALA 4 -2.007 -5.173 6.710
26 H GLN 5 H GLN 5 -2.678 -3.952 4.331
27 HA GLN 5 HA GLN 5 -1.882 -6.096 2.658
28 HB2 GLN 5 HB2 GLN 5 -4.235 -5.587 3.044
29 HB3 GLN 5 HB3 GLN 5 -4.040 -4.004 2.306
30 HG2 GLN 5 HG2 GLN 5 -5.096 -5.400 0.716
31 HG3 GLN 5 HG3 GLN 5 -3.434 -5.157 0.182
32 HE21 GLN 5 HE21 GLN 5 -5.754 -7.427 1.405
33 HE22 GLN 5 HE22 GLN 5 -4.809 -8.849 1.140
34 H TRP 6 H TRP 6 -1.754 -2.578 2.364
35 HA TRP 6 HA TRP 6 -1.004 -2.397 -0.339
36 HB2 TRP 6 HB2 TRP 6 -1.739 -0.450 0.955
37 HB3 TRP 6 HB3 TRP 6 -0.312 -0.568 1.972
38 HD1 TRP 6 HD1 TRP 6 -1.199 0.108 -1.727
39 HE1 TRP 6 HE1 TRP 6 0.583 1.674 -2.696
40 HE3 TRP 6 HE3 TRP 6 1.923 0.395 2.312
41 HZ2 TRP 6 HZ2 TRP 6 2.988 2.885 -1.877
42 HZ3 TRP 6 HZ3 TRP 6 3.946 1.794 2.135
43 HH2 TRP 6 HH2 TRP 6 4.457 3.024 0.083
44 H LEU 7 H LEU 7 0.943 -2.523 2.619
45 HA LEU 7 HA LEU 7 3.466 -2.449 1.359
46 HB2 LEU 7 HB2 LEU 7 2.658 -3.587 4.036
47 HB3 LEU 7 HB3 LEU 7 4.309 -3.295 3.532
48 HG LEU 7 HG LEU 7 2.272 -1.084 3.669
49 HD11 LEU 7 HD11 LEU 7 2.770 -2.441 5.865
50 HD12 LEU 7 HD12 LEU 7 2.685 -0.680 5.875
51 HD13 LEU 7 HD13 LEU 7 4.253 -1.486 5.848
52 HD21 LEU 7 HD21 LEU 7 4.176 -0.485 2.378
53 HD22 LEU 7 HD22 LEU 7 5.280 -1.179 3.566
54 HD23 LEU 7 HD23 LEU 7 4.364 0.277 3.958
55 H ALA 8 H ALA 8 1.290 -5.085 2.214
56 HA ALA 8 HA ALA 8 3.148 -7.175 1.574
57 HB1 ALA 8 HB1 ALA 8 0.170 -7.210 2.033
58 HB2 ALA 8 HB2 ALA 8 1.437 -7.634 3.184
59 HB3 ALA 8 HB3 ALA 8 1.153 -8.651 1.772
60 H ASP 9 H ASP 9 1.085 -5.150 -0.281
61 HA ASP 9 HA ASP 9 0.859 -7.016 -2.502
62 HB2 ASP 9 HB2 ASP 9 -0.487 -4.573 -1.681
63 HB3 ASP 9 HB3 ASP 9 -0.017 -4.505 -3.375
64 H DAL 10 H DAL 10 3.456 -5.606 -1.480
65 HA DAL 10 HA DAL 10 4.415 -4.897 -4.163
66 HB1 DAL 10 HB1 DAL 10 6.012 -5.679 -1.734
67 HB2 DAL 10 HB2 DAL 10 6.618 -5.474 -3.377
68 HB3 DAL 10 HB3 DAL 10 5.504 -6.790 -3.005
69 H GLY 11 H GLY 11 3.257 -3.294 -1.578
70 HA2 GLY 11 HA2 GLY 11 3.533 -1.197 -0.688
71 HA3 GLY 11 HA3 GLY 11 5.254 -1.371 -1.002
72 H TRP 12 H TRP 12 6.150 -0.443 -2.806
73 HA TRP 12 HA TRP 12 4.405 1.443 -4.199
74 HB2 TRP 12 HB2 TRP 12 7.334 1.354 -3.614
75 HB3 TRP 12 HB3 TRP 12 6.762 2.317 -4.977
76 HD1 TRP 12 HD1 TRP 12 7.417 2.632 -1.404
77 HE1 TRP 12 HE1 TRP 12 6.192 4.655 -0.390
78 HE3 TRP 12 HE3 TRP 12 4.206 3.658 -5.259
79 HZ2 TRP 12 HZ2 TRP 12 4.124 6.419 -1.115
80 HZ3 TRP 12 HZ3 TRP 12 2.650 5.541 -5.024
81 HH2 TRP 12 HH2 TRP 12 2.610 6.899 -2.990
82 H ALA 13 H ALA 13 5.057 -1.592 -4.780
83 HA ALA 13 HA ALA 13 5.971 -1.403 -7.528
84 HB1 ALA 13 HB1 ALA 13 4.944 -3.995 -6.840
85 HB2 ALA 13 HB2 ALA 13 6.032 -3.414 -5.580
86 HB3 ALA 13 HB3 ALA 13 6.590 -3.514 -7.249
87 H SER 14 H SER 14 3.014 -1.784 -5.713
88 HA SER 14 HA SER 14 1.319 -2.627 -7.805
89 HB2 SER 14 HB2 SER 14 -0.441 -1.399 -6.238
90 HB3 SER 14 HB3 SER 14 0.307 -2.918 -5.748
91 HG SER 14 HG SER 14 1.375 -1.909 -4.218
92 H DAL 15 H DAL 15 2.602 0.492 -6.910
93 HA DAL 15 HA DAL 15 1.324 1.662 -9.274
94 HB1 DAL 15 HB1 DAL 15 3.314 3.304 -7.934
95 HB2 DAL 15 HB2 DAL 15 3.213 2.783 -9.615
96 HB3 DAL 15 HB3 DAL 15 3.926 1.719 -8.404
97 H ARG 16 H ARG 16 0.027 1.303 -6.577
98 HA ARG 16 HA ARG 16 -1.109 3.971 -6.414
99 HB2 ARG 16 HB2 ARG 16 -2.879 2.976 -5.186
100 HB3 ARG 16 HB3 ARG 16 -2.444 1.749 -6.373
101 HG2 ARG 16 HG2 ARG 16 -0.858 0.982 -4.353
102 HG3 ARG 16 HG3 ARG 16 -2.167 1.730 -3.433
103 HD2 ARG 16 HD2 ARG 16 -3.782 0.333 -4.706
104 HD3 ARG 16 HD3 ARG 16 -2.417 -0.469 -5.479
105 HE ARG 16 HE ARG 16 -2.057 -1.668 -3.561
106 HH11 ARG 16 HH11 ARG 16 -4.287 0.939 -2.849
107 HH12 ARG 16 HH12 ARG 16 -4.683 0.332 -1.277
108 HH21 ARG 16 HH21 ARG 16 -2.591 -2.462 -1.493
109 HH22 ARG 16 HH22 ARG 16 -3.719 -1.595 -0.506
110 HA PRO 17 HA PRO 17 1.092 5.077 -2.722
111 HB2 PRO 17 HB2 PRO 17 -0.829 6.988 -1.884
112 HB3 PRO 17 HB3 PRO 17 0.614 7.274 -2.859
113 HG2 PRO 17 HG2 PRO 17 -2.026 7.525 -3.732
114 HG3 PRO 17 HG3 PRO 17 -0.599 7.406 -4.773
115 HD2 PRO 17 HD2 PRO 17 -2.573 5.301 -4.016
116 HD3 PRO 17 HD3 PRO 17 -1.692 5.537 -5.536
117 HA PRO 18 HA PRO 18 -0.425 3.122 0.909
118 HB2 PRO 18 HB2 PRO 18 0.230 4.964 2.856
119 HB3 PRO 18 HB3 PRO 18 1.345 3.794 2.165
120 HG2 PRO 18 HG2 PRO 18 1.006 6.686 1.562
121 HG3 PRO 18 HG3 PRO 18 2.485 5.712 1.595
122 HD2 PRO 18 HD2 PRO 18 1.274 6.463 -0.705
123 HD3 PRO 18 HD3 PRO 18 2.175 4.944 -0.548
124 HA PRO 19 HA PRO 19 -4.386 4.919 1.830
125 HB2 PRO 19 HB2 PRO 19 -5.233 3.008 3.575
126 HB3 PRO 19 HB3 PRO 19 -5.197 2.802 1.835
127 HG2 PRO 19 HG2 PRO 19 -3.472 1.622 3.864
128 HG3 PRO 19 HG3 PRO 19 -3.833 1.066 2.232
129 HD2 PRO 19 HD2 PRO 19 -1.490 2.419 3.098
130 HD3 PRO 19 HD3 PRO 19 -1.946 1.979 1.444
131 H SER 20 H SER 20 -5.468 6.040 3.466
132 HA SER 20 HA SER 20 -4.126 6.217 6.074
133 HB2 SER 20 HB2 SER 20 -4.244 8.281 4.063
134 HB3 SER 20 HB3 SER 20 -5.099 8.802 5.514
135 HG SER 20 HG SER 20 -3.271 8.675 6.660
Start of MODEL 24
1 H1 ASP 1 HT1 ASP 1 -8.560 -3.241 8.301
2 H2 ASP 1 HT2 ASP 1 -8.022 -4.355 7.111
3 H3 ASP 1 HT3 ASP 1 -8.876 -2.941 6.644
4 HA ASP 1 HA ASP 1 -7.106 -1.576 7.457
5 HB2 ASP 1 HB2 ASP 1 -6.420 -3.297 9.184
6 HB3 ASP 1 HB3 ASP 1 -5.614 -4.172 7.885
7 H ALA 2 H ALA 2 -6.139 -0.713 5.729
8 HA ALA 2 HA ALA 2 -5.598 -2.457 3.423
9 HB1 ALA 2 HB1 ALA 2 -6.313 0.450 3.606
10 HB2 ALA 2 HB2 ALA 2 -7.193 -0.853 2.808
11 HB3 ALA 2 HB3 ALA 2 -5.670 -0.275 2.133
12 H TYR 3 H TYR 3 -4.058 -0.422 5.742
13 HA TYR 3 HA TYR 3 -1.803 0.390 4.255
14 HB2 TYR 3 HB2 TYR 3 -2.665 1.097 6.653
15 HB3 TYR 3 HB3 TYR 3 -1.555 -0.163 7.179
16 HD1 TYR 3 HD1 TYR 3 -1.829 3.132 5.545
17 HD2 TYR 3 HD2 TYR 3 0.830 0.135 7.007
18 HE1 TYR 3 HE1 TYR 3 0.036 4.727 5.437
19 HE2 TYR 3 HE2 TYR 3 2.699 1.726 6.879
20 HH TYR 3 HH TYR 3 2.598 4.690 6.910
21 H ALA 4 H ALA 4 -2.286 -2.418 6.391
22 HA ALA 4 HA ALA 4 0.302 -3.509 5.985
23 HB1 ALA 4 HB1 ALA 4 -1.289 -4.069 7.865
24 HB2 ALA 4 HB2 ALA 4 -0.494 -5.446 7.103
25 HB3 ALA 4 HB3 ALA 4 -2.172 -5.070 6.711
26 H GLN 5 H GLN 5 -2.770 -3.824 4.279
27 HA GLN 5 HA GLN 5 -2.003 -6.004 2.624
28 HB2 GLN 5 HB2 GLN 5 -4.356 -5.419 3.012
29 HB3 GLN 5 HB3 GLN 5 -4.113 -3.876 2.207
30 HG2 GLN 5 HG2 GLN 5 -5.193 -5.323 0.675
31 HG3 GLN 5 HG3 GLN 5 -3.526 -5.124 0.141
32 HE21 GLN 5 HE21 GLN 5 -2.442 -6.907 -0.348
33 HE22 GLN 5 HE22 GLN 5 -2.860 -8.509 0.145
34 H TRP 6 H TRP 6 -1.813 -2.492 2.347
35 HA TRP 6 HA TRP 6 -1.036 -2.310 -0.348
36 HB2 TRP 6 HB2 TRP 6 -1.756 -0.359 0.956
37 HB3 TRP 6 HB3 TRP 6 -0.334 -0.500 1.977
38 HD1 TRP 6 HD1 TRP 6 -1.193 0.184 -1.726
39 HE1 TRP 6 HE1 TRP 6 0.611 1.729 -2.689
40 HE3 TRP 6 HE3 TRP 6 1.903 0.456 2.334
41 HZ2 TRP 6 HZ2 TRP 6 3.020 2.920 -1.858
42 HZ3 TRP 6 HZ3 TRP 6 3.941 1.835 2.164
43 HH2 TRP 6 HH2 TRP 6 4.477 3.053 0.111
44 H LEU 7 H LEU 7 0.886 -2.473 2.630
45 HA LEU 7 HA LEU 7 3.417 -2.438 1.378
46 HB2 LEU 7 HB2 LEU 7 2.570 -3.537 4.058
47 HB3 LEU 7 HB3 LEU 7 4.233 -3.313 3.560
48 HG LEU 7 HG LEU 7 2.278 -1.027 3.674
49 HD11 LEU 7 HD11 LEU 7 4.226 -1.711 5.852
50 HD12 LEU 7 HD12 LEU 7 2.546 -2.248 5.883
51 HD13 LEU 7 HD13 LEU 7 2.921 -0.524 5.871
52 HD21 LEU 7 HD21 LEU 7 4.473 0.221 4.006
53 HD22 LEU 7 HD22 LEU 7 4.158 -0.430 2.398
54 HD23 LEU 7 HD23 LEU 7 5.267 -1.266 3.487
55 H ALA 8 H ALA 8 1.194 -5.034 2.226
56 HA ALA 8 HA ALA 8 3.019 -7.158 1.614
57 HB1 ALA 8 HB1 ALA 8 0.910 -8.562 1.701
58 HB2 ALA 8 HB2 ALA 8 0.055 -7.074 2.108
59 HB3 ALA 8 HB3 ALA 8 1.328 -7.678 3.169
60 H ASP 9 H ASP 9 1.004 -5.107 -0.280
61 HA ASP 9 HA ASP 9 0.814 -6.972 -2.504
62 HB2 ASP 9 HB2 ASP 9 -0.700 -4.750 -1.652
63 HB3 ASP 9 HB3 ASP 9 0.023 -4.283 -3.187
64 H DAL 10 H DAL 10 3.406 -5.610 -1.444
65 HA DAL 10 HA DAL 10 4.420 -4.903 -4.104
66 HB1 DAL 10 HB1 DAL 10 6.599 -5.490 -3.278
67 HB2 DAL 10 HB2 DAL 10 5.472 -6.791 -2.895
68 HB3 DAL 10 HB3 DAL 10 5.972 -5.658 -1.639
69 H GLY 11 H GLY 11 3.224 -3.275 -1.542
70 HA2 GLY 11 HA2 GLY 11 3.503 -1.173 -0.661
71 HA3 GLY 11 HA3 GLY 11 5.225 -1.354 -0.964
72 H TRP 12 H TRP 12 6.135 -0.445 -2.770
73 HA TRP 12 HA TRP 12 4.409 1.441 -4.185
74 HB2 TRP 12 HB2 TRP 12 7.338 1.330 -3.596
75 HB3 TRP 12 HB3 TRP 12 6.774 2.289 -4.966
76 HD1 TRP 12 HD1 TRP 12 7.429 2.622 -1.394
77 HE1 TRP 12 HE1 TRP 12 6.218 4.661 -0.396
78 HE3 TRP 12 HE3 TRP 12 4.228 3.646 -5.260
79 HZ2 TRP 12 HZ2 TRP 12 4.165 6.435 -1.135
80 HZ3 TRP 12 HZ3 TRP 12 2.686 5.542 -5.039
81 HH2 TRP 12 HH2 TRP 12 2.655 6.914 -3.014
82 H ALA 13 H ALA 13 5.037 -1.605 -4.738
83 HA ALA 13 HA ALA 13 5.962 -1.451 -7.484
84 HB1 ALA 13 HB1 ALA 13 6.014 -3.438 -5.524
85 HB2 ALA 13 HB2 ALA 13 6.534 -3.577 -7.203
86 HB3 ALA 13 HB3 ALA 13 4.888 -4.020 -6.750
87 H SER 14 H SER 14 2.996 -1.799 -5.674
88 HA SER 14 HA SER 14 1.298 -2.637 -7.761
89 HB2 SER 14 HB2 SER 14 -0.449 -1.364 -6.212
90 HB3 SER 14 HB3 SER 14 0.272 -2.890 -5.706
91 HG SER 14 HG SER 14 1.350 -1.885 -4.182
92 H DAL 15 H DAL 15 2.597 0.486 -6.883
93 HA DAL 15 HA DAL 15 1.347 1.637 -9.272
94 HB1 DAL 15 HB1 DAL 15 3.313 2.573 -9.648
95 HB2 DAL 15 HB2 DAL 15 3.949 1.752 -8.223
96 HB3 DAL 15 HB3 DAL 15 3.276 3.376 -8.079
97 H ARG 16 H ARG 16 0.029 1.316 -6.585
98 HA ARG 16 HA ARG 16 -1.072 4.002 -6.442
99 HB2 ARG 16 HB2 ARG 16 -2.875 3.042 -5.252
100 HB3 ARG 16 HB3 ARG 16 -2.427 1.782 -6.399
101 HG2 ARG 16 HG2 ARG 16 -0.925 0.960 -4.398
102 HG3 ARG 16 HG3 ARG 16 -2.104 1.863 -3.443
103 HD2 ARG 16 HD2 ARG 16 -3.909 0.585 -4.596
104 HD3 ARG 16 HD3 ARG 16 -2.660 -0.385 -5.372
105 HE ARG 16 HE ARG 16 -2.376 -1.536 -3.418
106 HH11 ARG 16 HH11 ARG 16 -4.197 1.376 -2.726
107 HH12 ARG 16 HH12 ARG 16 -4.559 0.909 -1.100
108 HH21 ARG 16 HH21 ARG 16 -2.860 -2.145 -1.276
109 HH22 ARG 16 HH22 ARG 16 -3.800 -1.089 -0.275
110 HA PRO 17 HA PRO 17 1.123 5.087 -2.742
111 HB2 PRO 17 HB2 PRO 17 -0.777 7.024 -1.915
112 HB3 PRO 17 HB3 PRO 17 0.670 7.287 -2.892
113 HG2 PRO 17 HG2 PRO 17 -1.968 7.564 -3.766
114 HG3 PRO 17 HG3 PRO 17 -0.542 7.426 -4.805
115 HD2 PRO 17 HD2 PRO 17 -2.537 5.345 -4.040
116 HD3 PRO 17 HD3 PRO 17 -1.655 5.565 -5.562
117 HA PRO 18 HA PRO 18 -0.401 3.175 0.907
118 HB2 PRO 18 HB2 PRO 18 0.244 5.038 2.837
119 HB3 PRO 18 HB3 PRO 18 1.365 3.864 2.160
120 HG2 PRO 18 HG2 PRO 18 1.014 6.749 1.521
121 HG3 PRO 18 HG3 PRO 18 2.499 5.783 1.578
122 HD2 PRO 18 HD2 PRO 18 1.308 6.494 -0.742
123 HD3 PRO 18 HD3 PRO 18 2.200 4.973 -0.554
124 HA PRO 19 HA PRO 19 -4.366 4.967 1.812
125 HB2 PRO 19 HB2 PRO 19 -5.208 3.080 3.582
126 HB3 PRO 19 HB3 PRO 19 -5.162 2.843 1.847
127 HG2 PRO 19 HG2 PRO 19 -3.435 1.714 3.904
128 HG3 PRO 19 HG3 PRO 19 -3.793 1.119 2.285
129 HD2 PRO 19 HD2 PRO 19 -1.458 2.500 3.118
130 HD3 PRO 19 HD3 PRO 19 -1.914 2.030 1.473
131 H SER 20 H SER 20 -5.174 6.400 3.251
132 HA SER 20 HA SER 20 -4.565 6.297 6.053
133 HB2 SER 20 HB2 SER 20 -3.485 8.576 6.101
134 HB3 SER 20 HB3 SER 20 -2.490 7.306 5.392
135 HG SER 20 HG SER 20 -3.364 9.593 4.279
Start of MODEL 25
1 H1 ASP 1 HT1 ASP 1 -7.519 -5.333 6.549
2 H2 ASP 1 HT2 ASP 1 -6.847 -4.976 5.011
3 H3 ASP 1 HT3 ASP 1 -7.958 -3.889 5.738
4 HA ASP 1 HA ASP 1 -6.339 -3.693 7.601
5 HB2 ASP 1 HB2 ASP 1 -4.974 -5.535 5.785
6 HB3 ASP 1 HB3 ASP 1 -3.972 -4.160 6.239
7 H ALA 2 H ALA 2 -5.980 -3.340 4.082
8 HA ALA 2 HA ALA 2 -5.821 -1.493 2.765
9 HB1 ALA 2 HB1 ALA 2 -6.922 0.304 3.465
10 HB2 ALA 2 HB2 ALA 2 -5.744 0.616 4.738
11 HB3 ALA 2 HB3 ALA 2 -7.083 -0.492 5.029
12 H TYR 3 H TYR 3 -4.166 -0.325 5.715
13 HA TYR 3 HA TYR 3 -1.905 0.566 4.241
14 HB2 TYR 3 HB2 TYR 3 -2.824 1.319 6.591
15 HB3 TYR 3 HB3 TYR 3 -1.737 0.067 7.183
16 HD1 TYR 3 HD1 TYR 3 -1.939 3.339 5.499
17 HD2 TYR 3 HD2 TYR 3 0.659 0.334 7.049
18 HE1 TYR 3 HE1 TYR 3 -0.058 4.915 5.409
19 HE2 TYR 3 HE2 TYR 3 2.546 1.905 6.941
20 HH TYR 3 HH TYR 3 2.475 4.868 6.935
21 H ALA 4 H ALA 4 -2.329 -2.163 6.511
22 HA ALA 4 HA ALA 4 0.255 -3.246 6.080
23 HB1 ALA 4 HB1 ALA 4 -0.755 -5.341 7.054
24 HB2 ALA 4 HB2 ALA 4 -2.289 -4.475 7.130
25 HB3 ALA 4 HB3 ALA 4 -0.904 -3.896 8.055
26 H GLN 5 H GLN 5 -2.836 -3.602 4.443
27 HA GLN 5 HA GLN 5 -2.125 -5.847 2.847
28 HB2 GLN 5 HB2 GLN 5 -4.459 -5.292 3.205
29 HB3 GLN 5 HB3 GLN 5 -4.232 -3.708 2.479
30 HG2 GLN 5 HG2 GLN 5 -5.326 -5.078 0.887
31 HG3 GLN 5 HG3 GLN 5 -3.667 -4.849 0.341
32 HE21 GLN 5 HE21 GLN 5 -2.334 -6.593 0.142
33 HE22 GLN 5 HE22 GLN 5 -2.842 -8.222 0.406
34 H TRP 6 H TRP 6 -1.912 -2.345 2.448
35 HA TRP 6 HA TRP 6 -1.158 -2.253 -0.256
36 HB2 TRP 6 HB2 TRP 6 -1.842 -0.254 0.981
37 HB3 TRP 6 HB3 TRP 6 -0.430 -0.387 2.015
38 HD1 TRP 6 HD1 TRP 6 -1.260 0.235 -1.706
39 HE1 TRP 6 HE1 TRP 6 0.572 1.734 -2.688
40 HE3 TRP 6 HE3 TRP 6 1.827 0.523 2.359
41 HZ2 TRP 6 HZ2 TRP 6 2.998 2.899 -1.868
42 HZ3 TRP 6 HZ3 TRP 6 3.888 1.866 2.175
43 HH2 TRP 6 HH2 TRP 6 4.451 3.040 0.103
44 H LEU 7 H LEU 7 0.793 -2.348 2.705
45 HA LEU 7 HA LEU 7 3.315 -2.363 1.442
46 HB2 LEU 7 HB2 LEU 7 2.496 -3.446 4.139
47 HB3 LEU 7 HB3 LEU 7 4.149 -3.186 3.624
48 HG LEU 7 HG LEU 7 2.163 -0.929 3.721
49 HD11 LEU 7 HD11 LEU 7 2.597 -0.482 5.934
50 HD12 LEU 7 HD12 LEU 7 4.079 -1.437 5.950
51 HD13 LEU 7 HD13 LEU 7 2.510 -2.243 5.940
52 HD21 LEU 7 HD21 LEU 7 4.305 0.360 4.076
53 HD22 LEU 7 HD22 LEU 7 4.097 -0.365 2.481
54 HD23 LEU 7 HD23 LEU 7 5.164 -1.124 3.664
55 H ALA 8 H ALA 8 1.084 -4.931 2.355
56 HA ALA 8 HA ALA 8 2.883 -7.078 1.751
57 HB1 ALA 8 HB1 ALA 8 0.950 -7.201 3.357
58 HB2 ALA 8 HB2 ALA 8 1.068 -8.533 2.208
59 HB3 ALA 8 HB3 ALA 8 -0.115 -7.250 1.952
60 H ASP 9 H ASP 9 0.849 -5.044 -0.144
61 HA ASP 9 HA ASP 9 0.596 -6.938 -2.333
62 HB2 ASP 9 HB2 ASP 9 -0.857 -4.672 -1.502
63 HB3 ASP 9 HB3 ASP 9 -0.133 -4.234 -3.045
64 H DAL 10 H DAL 10 3.228 -5.588 -1.325
65 HA DAL 10 HA DAL 10 4.221 -4.955 -4.014
66 HB1 DAL 10 HB1 DAL 10 5.243 -6.862 -2.827
67 HB2 DAL 10 HB2 DAL 10 5.776 -5.753 -1.563
68 HB3 DAL 10 HB3 DAL 10 6.402 -5.587 -3.204
69 H GLY 11 H GLY 11 3.110 -3.273 -1.452
70 HA2 GLY 11 HA2 GLY 11 3.458 -1.173 -0.593
71 HA3 GLY 11 HA3 GLY 11 5.171 -1.407 -0.911
72 H TRP 12 H TRP 12 6.092 -0.520 -2.719
73 HA TRP 12 HA TRP 12 4.396 1.380 -4.152
74 HB2 TRP 12 HB2 TRP 12 7.320 1.236 -3.551
75 HB3 TRP 12 HB3 TRP 12 6.776 2.186 -4.935
76 HD1 TRP 12 HD1 TRP 12 7.420 2.553 -1.365
77 HE1 TRP 12 HE1 TRP 12 6.232 4.620 -0.396
78 HE3 TRP 12 HE3 TRP 12 4.251 3.575 -5.256
79 HZ2 TRP 12 HZ2 TRP 12 4.208 6.413 -1.165
80 HZ3 TRP 12 HZ3 TRP 12 2.735 5.495 -5.065
81 HH2 TRP 12 HH2 TRP 12 2.713 6.890 -3.057
82 H ALA 13 H ALA 13 4.965 -1.675 -4.675
83 HA ALA 13 HA ALA 13 5.897 -1.563 -7.422
84 HB1 ALA 13 HB1 ALA 13 6.653 -3.558 -6.761
85 HB2 ALA 13 HB2 ALA 13 5.006 -4.121 -7.040
86 HB3 ALA 13 HB3 ALA 13 5.515 -3.651 -5.418
87 H SER 14 H SER 14 2.929 -1.834 -5.606
88 HA SER 14 HA SER 14 1.215 -2.680 -7.679
89 HB2 SER 14 HB2 SER 14 -0.515 -1.371 -6.151
90 HB3 SER 14 HB3 SER 14 0.199 -2.889 -5.610
91 HG SER 14 HG SER 14 1.288 -1.853 -4.113
92 H DAL 15 H DAL 15 2.573 0.427 -6.849
93 HA DAL 15 HA DAL 15 1.350 1.572 -9.254
94 HB1 DAL 15 HB1 DAL 15 3.187 3.406 -8.429
95 HB2 DAL 15 HB2 DAL 15 3.489 2.107 -9.582
96 HB3 DAL 15 HB3 DAL 15 3.907 1.893 -7.882
97 H ARG 16 H ARG 16 0.025 1.309 -6.557
98 HA ARG 16 HA ARG 16 -1.039 4.013 -6.461
99 HB2 ARG 16 HB2 ARG 16 -2.853 3.093 -5.247
100 HB3 ARG 16 HB3 ARG 16 -2.432 1.823 -6.394
101 HG2 ARG 16 HG2 ARG 16 -0.903 1.058 -4.337
102 HG3 ARG 16 HG3 ARG 16 -2.188 1.881 -3.448
103 HD2 ARG 16 HD2 ARG 16 -3.847 0.510 -4.692
104 HD3 ARG 16 HD3 ARG 16 -2.510 -0.364 -5.434
105 HE ARG 16 HE ARG 16 -2.221 -1.532 -3.487
106 HH11 ARG 16 HH11 ARG 16 -4.299 1.214 -2.837
107 HH12 ARG 16 HH12 ARG 16 -4.720 0.672 -1.248
108 HH21 ARG 16 HH21 ARG 16 -2.786 -2.239 -1.395
109 HH22 ARG 16 HH22 ARG 16 -3.860 -1.285 -0.428
110 HA PRO 17 HA PRO 17 1.163 5.114 -2.767
111 HB2 PRO 17 HB2 PRO 17 -0.704 7.093 -1.973
112 HB3 PRO 17 HB3 PRO 17 0.751 7.322 -2.945
113 HG2 PRO 17 HG2 PRO 17 -1.880 7.631 -3.832
114 HG3 PRO 17 HG3 PRO 17 -0.450 7.467 -4.864
115 HD2 PRO 17 HD2 PRO 17 -2.483 5.424 -4.101
116 HD3 PRO 17 HD3 PRO 17 -1.579 5.615 -5.614
117 HA PRO 18 HA PRO 18 -0.440 3.266 0.882
118 HB2 PRO 18 HB2 PRO 18 0.225 5.126 2.806
119 HB3 PRO 18 HB3 PRO 18 1.329 3.928 2.147
120 HG2 PRO 18 HG2 PRO 18 1.036 6.815 1.485
121 HG3 PRO 18 HG3 PRO 18 2.504 5.825 1.569
122 HD2 PRO 18 HD2 PRO 18 1.357 6.536 -0.772
123 HD3 PRO 18 HD3 PRO 18 2.218 5.001 -0.560
124 HA PRO 19 HA PRO 19 -4.375 5.153 1.708
125 HB2 PRO 19 HB2 PRO 19 -5.272 3.318 3.511
126 HB3 PRO 19 HB3 PRO 19 -5.224 3.055 1.780
127 HG2 PRO 19 HG2 PRO 19 -3.541 1.908 3.861
128 HG3 PRO 19 HG3 PRO 19 -3.893 1.310 2.242
129 HD2 PRO 19 HD2 PRO 19 -1.538 2.650 3.096
130 HD3 PRO 19 HD3 PRO 19 -1.981 2.166 1.452
131 H SER 20 H SER 20 -4.644 6.925 2.893
132 HA SER 20 HA SER 20 -3.365 7.221 5.469
133 HB2 SER 20 HB2 SER 20 -4.443 9.522 5.384
134 HB3 SER 20 HB3 SER 20 -3.302 9.163 4.088
135 HG SER 20 HG SER 20 -6.070 9.473 3.997
Start of MODEL 26
1 H1 ASP 1 HT1 ASP 1 -8.845 -3.272 6.649
2 H2 ASP 1 HT2 ASP 1 -8.261 -1.696 6.997
3 H3 ASP 1 HT3 ASP 1 -8.486 -2.828 8.266
4 HA ASP 1 HA ASP 1 -6.190 -2.591 7.726
5 HB2 ASP 1 HB2 ASP 1 -7.285 -4.774 8.447
6 HB3 ASP 1 HB3 ASP 1 -7.230 -5.260 6.755
7 H ALA 2 H ALA 2 -5.926 -1.092 5.967
8 HA ALA 2 HA ALA 2 -5.638 -2.386 3.334
9 HB1 ALA 2 HB1 ALA 2 -7.296 -0.426 3.694
10 HB2 ALA 2 HB2 ALA 2 -6.258 -0.440 2.268
11 HB3 ALA 2 HB3 ALA 2 -5.844 0.574 3.649
12 H TYR 3 H TYR 3 -4.080 -0.328 5.728
13 HA TYR 3 HA TYR 3 -1.834 0.441 4.220
14 HB2 TYR 3 HB2 TYR 3 -2.683 1.197 6.607
15 HB3 TYR 3 HB3 TYR 3 -1.570 -0.049 7.156
16 HD1 TYR 3 HD1 TYR 3 -1.865 3.243 5.547
17 HD2 TYR 3 HD2 TYR 3 0.829 0.221 6.888
18 HE1 TYR 3 HE1 TYR 3 -0.002 4.837 5.406
19 HE2 TYR 3 HE2 TYR 3 2.697 1.812 6.727
20 HH TYR 3 HH TYR 3 2.818 4.352 5.057
21 H ALA 4 H ALA 4 -2.329 -2.337 6.384
22 HA ALA 4 HA ALA 4 0.267 -3.430 6.014
23 HB1 ALA 4 HB1 ALA 4 -2.237 -4.925 6.785
24 HB2 ALA 4 HB2 ALA 4 -1.273 -3.969 7.910
25 HB3 ALA 4 HB3 ALA 4 -0.567 -5.381 7.123
26 H GLN 5 H GLN 5 -2.787 -3.741 4.282
27 HA GLN 5 HA GLN 5 -2.011 -5.956 2.667
28 HB2 GLN 5 HB2 GLN 5 -4.371 -5.367 3.051
29 HB3 GLN 5 HB3 GLN 5 -4.130 -3.848 2.200
30 HG2 GLN 5 HG2 GLN 5 -5.193 -5.319 0.693
31 HG3 GLN 5 HG3 GLN 5 -3.513 -5.177 0.181
32 HE21 GLN 5 HE21 GLN 5 -5.943 -7.265 1.500
33 HE22 GLN 5 HE22 GLN 5 -5.046 -8.735 1.369
34 H TRP 6 H TRP 6 -1.811 -2.451 2.364
35 HA TRP 6 HA TRP 6 -1.047 -2.293 -0.339
36 HB2 TRP 6 HB2 TRP 6 -1.762 -0.330 0.945
37 HB3 TRP 6 HB3 TRP 6 -0.345 -0.466 1.972
38 HD1 TRP 6 HD1 TRP 6 -1.184 0.193 -1.742
39 HE1 TRP 6 HE1 TRP 6 0.631 1.729 -2.702
40 HE3 TRP 6 HE3 TRP 6 1.889 0.482 2.334
41 HZ2 TRP 6 HZ2 TRP 6 3.037 2.918 -1.865
42 HZ3 TRP 6 HZ3 TRP 6 3.929 1.856 2.171
43 HH2 TRP 6 HH2 TRP 6 4.481 3.059 0.113
44 H LEU 7 H LEU 7 0.875 -2.445 2.637
45 HA LEU 7 HA LEU 7 3.409 -2.419 1.390
46 HB2 LEU 7 HB2 LEU 7 2.537 -3.484 4.077
47 HB3 LEU 7 HB3 LEU 7 4.209 -3.314 3.584
48 HG LEU 7 HG LEU 7 2.330 -0.965 3.638
49 HD11 LEU 7 HD11 LEU 7 3.214 -0.421 5.847
50 HD12 LEU 7 HD12 LEU 7 4.093 -1.950 5.875
51 HD13 LEU 7 HD13 LEU 7 2.329 -1.947 5.863
52 HD21 LEU 7 HD21 LEU 7 4.645 0.134 4.083
53 HD22 LEU 7 HD22 LEU 7 4.210 -0.348 2.443
54 HD23 LEU 7 HD23 LEU 7 5.285 -1.363 3.405
55 H ALA 8 H ALA 8 1.196 -5.018 2.276
56 HA ALA 8 HA ALA 8 3.022 -7.139 1.652
57 HB1 ALA 8 HB1 ALA 8 0.925 -8.553 1.777
58 HB2 ALA 8 HB2 ALA 8 0.062 -7.068 2.178
59 HB3 ALA 8 HB3 ALA 8 1.349 -7.652 3.233
60 H ASP 9 H ASP 9 1.007 -5.096 -0.240
61 HA ASP 9 HA ASP 9 0.780 -6.990 -2.440
62 HB2 ASP 9 HB2 ASP 9 -0.523 -4.479 -1.684
63 HB3 ASP 9 HB3 ASP 9 -0.111 -4.540 -3.394
64 H DAL 10 H DAL 10 3.384 -5.596 -1.429
65 HA DAL 10 HA DAL 10 4.349 -4.909 -4.117
66 HB1 DAL 10 HB1 DAL 10 5.963 -5.671 -1.696
67 HB2 DAL 10 HB2 DAL 10 6.533 -5.534 -3.360
68 HB3 DAL 10 HB3 DAL 10 5.402 -6.813 -2.916
69 H GLY 11 H GLY 11 3.211 -3.276 -1.542
70 HA2 GLY 11 HA2 GLY 11 3.514 -1.177 -0.665
71 HA3 GLY 11 HA3 GLY 11 5.233 -1.379 -0.972
72 H TRP 12 H TRP 12 6.151 -0.462 -2.770
73 HA TRP 12 HA TRP 12 4.435 1.434 -4.185
74 HB2 TRP 12 HB2 TRP 12 7.360 1.320 -3.578
75 HB3 TRP 12 HB3 TRP 12 6.808 2.277 -4.954
76 HD1 TRP 12 HD1 TRP 12 7.450 2.633 -1.386
77 HE1 TRP 12 HE1 TRP 12 6.225 4.670 -0.400
78 HE3 TRP 12 HE3 TRP 12 4.248 3.615 -5.261
79 HZ2 TRP 12 HZ2 TRP 12 4.162 6.426 -1.151
80 HZ3 TRP 12 HZ3 TRP 12 2.694 5.503 -5.053
81 HH2 TRP 12 HH2 TRP 12 2.651 6.886 -3.035
82 H ALA 13 H ALA 13 5.038 -1.607 -4.752
83 HA ALA 13 HA ALA 13 5.976 -1.441 -7.495
84 HB1 ALA 13 HB1 ALA 13 4.908 -4.017 -6.739
85 HB2 ALA 13 HB2 ALA 13 6.069 -3.425 -5.550
86 HB3 ALA 13 HB3 ALA 13 6.539 -3.575 -7.243
87 H SER 14 H SER 14 3.009 -1.795 -5.691
88 HA SER 14 HA SER 14 1.316 -2.638 -7.782
89 HB2 SER 14 HB2 SER 14 -0.440 -1.388 -6.232
90 HB3 SER 14 HB3 SER 14 0.300 -2.903 -5.722
91 HG SER 14 HG SER 14 1.361 -1.881 -4.198
92 H DAL 15 H DAL 15 2.608 0.481 -6.895
93 HA DAL 15 HA DAL 15 1.362 1.645 -9.279
94 HB1 DAL 15 HB1 DAL 15 3.935 1.647 -8.589
95 HB2 DAL 15 HB2 DAL 15 3.431 3.142 -7.800
96 HB3 DAL 15 HB3 DAL 15 3.192 2.936 -9.535
97 H ARG 16 H ARG 16 0.032 1.309 -6.602
98 HA ARG 16 HA ARG 16 -1.079 3.988 -6.457
99 HB2 ARG 16 HB2 ARG 16 -2.870 3.016 -5.256
100 HB3 ARG 16 HB3 ARG 16 -2.416 1.758 -6.404
101 HG2 ARG 16 HG2 ARG 16 -0.885 0.984 -4.385
102 HG3 ARG 16 HG3 ARG 16 -2.122 1.833 -3.454
103 HD2 ARG 16 HD2 ARG 16 -3.851 0.491 -4.625
104 HD3 ARG 16 HD3 ARG 16 -2.563 -0.405 -5.425
105 HE ARG 16 HE ARG 16 -2.207 -1.581 -3.493
106 HH11 ARG 16 HH11 ARG 16 -4.222 1.190 -2.760
107 HH12 ARG 16 HH12 ARG 16 -4.606 0.641 -1.163
108 HH21 ARG 16 HH21 ARG 16 -2.723 -2.299 -1.392
109 HH22 ARG 16 HH22 ARG 16 -3.754 -1.338 -0.385
110 HA PRO 17 HA PRO 17 1.128 5.083 -2.766
111 HB2 PRO 17 HB2 PRO 17 -0.748 7.040 -1.950
112 HB3 PRO 17 HB3 PRO 17 0.692 7.286 -2.940
113 HG2 PRO 17 HG2 PRO 17 -1.956 7.567 -3.791
114 HG3 PRO 17 HG3 PRO 17 -0.536 7.431 -4.841
115 HD2 PRO 17 HD2 PRO 17 -2.529 5.352 -4.068
116 HD3 PRO 17 HD3 PRO 17 -1.645 5.566 -5.589
117 HA PRO 18 HA PRO 18 -0.428 3.197 0.880
118 HB2 PRO 18 HB2 PRO 18 0.223 5.061 2.808
119 HB3 PRO 18 HB3 PRO 18 1.334 3.872 2.144
120 HG2 PRO 18 HG2 PRO 18 1.025 6.758 1.496
121 HG3 PRO 18 HG3 PRO 18 2.495 5.772 1.557
122 HD2 PRO 18 HD2 PRO 18 1.314 6.500 -0.765
123 HD3 PRO 18 HD3 PRO 18 2.196 4.972 -0.576
124 HA PRO 19 HA PRO 19 -4.386 5.010 1.757
125 HB2 PRO 19 HB2 PRO 19 -5.213 3.177 3.598
126 HB3 PRO 19 HB3 PRO 19 -5.196 2.898 1.867
127 HG2 PRO 19 HG2 PRO 19 -3.458 1.795 3.923
128 HG3 PRO 19 HG3 PRO 19 -3.820 1.185 2.311
129 HD2 PRO 19 HD2 PRO 19 -1.482 2.577 3.131
130 HD3 PRO 19 HD3 PRO 19 -1.933 2.070 1.495
131 H SER 20 H SER 20 -5.024 6.609 3.063
132 HA SER 20 HA SER 20 -3.665 6.934 5.644
133 HB2 SER 20 HB2 SER 20 -4.553 9.296 5.502
134 HB3 SER 20 HB3 SER 20 -3.400 8.858 4.241
135 HG SER 20 HG SER 20 -4.896 9.399 2.883
Start of MODEL 27
1 H1 ASP 1 HT1 ASP 1 -4.588 -3.092 7.749
2 H2 ASP 1 HT2 ASP 1 -5.901 -3.410 8.807
3 H3 ASP 1 HT3 ASP 1 -5.905 -1.998 7.832
4 HA ASP 1 HA ASP 1 -6.086 -4.797 6.938
5 HB2 ASP 1 HB2 ASP 1 -8.124 -3.806 7.949
6 HB3 ASP 1 HB3 ASP 1 -8.038 -2.483 6.790
7 H ALA 2 H ALA 2 -6.498 -1.440 5.756
8 HA ALA 2 HA ALA 2 -5.835 -2.212 3.062
9 HB1 ALA 2 HB1 ALA 2 -5.961 0.314 2.696
10 HB2 ALA 2 HB2 ALA 2 -6.505 0.401 4.371
11 HB3 ALA 2 HB3 ALA 2 -7.437 -0.516 3.188
12 H TYR 3 H TYR 3 -4.283 -0.292 5.618
13 HA TYR 3 HA TYR 3 -1.999 0.464 4.160
14 HB2 TYR 3 HB2 TYR 3 -2.891 1.238 6.513
15 HB3 TYR 3 HB3 TYR 3 -1.838 -0.040 7.106
16 HD1 TYR 3 HD2 TYR 3 0.575 0.154 6.925
17 HD2 TYR 3 HD1 TYR 3 -1.972 3.260 5.495
18 HE1 TYR 3 HE2 TYR 3 2.495 1.686 6.842
19 HE2 TYR 3 HE1 TYR 3 -0.058 4.796 5.431
20 HH TYR 3 HH TYR 3 2.507 4.628 6.934
21 H ALA 4 H ALA 4 -2.565 -2.311 6.306
22 HA ALA 4 HA ALA 4 0.027 -3.433 5.997
23 HB1 ALA 4 HB1 ALA 4 -1.651 -3.948 7.828
24 HB2 ALA 4 HB2 ALA 4 -0.815 -5.334 7.129
25 HB3 ALA 4 HB3 ALA 4 -2.475 -4.976 6.656
26 H GLN 5 H GLN 5 -2.986 -3.702 4.181
27 HA GLN 5 HA GLN 5 -2.180 -5.918 2.580
28 HB2 GLN 5 HB2 GLN 5 -4.538 -5.376 2.857
29 HB3 GLN 5 HB3 GLN 5 -4.290 -3.799 2.121
30 HG2 GLN 5 HG2 GLN 5 -5.306 -5.229 0.512
31 HG3 GLN 5 HG3 GLN 5 -3.637 -4.939 0.024
32 HE21 GLN 5 HE21 GLN 5 -5.907 -7.275 1.252
33 HE22 GLN 5 HE22 GLN 5 -4.926 -8.671 0.977
34 H TRP 6 H TRP 6 -1.952 -2.410 2.285
35 HA TRP 6 HA TRP 6 -1.103 -2.254 -0.389
36 HB2 TRP 6 HB2 TRP 6 -1.828 -0.285 0.880
37 HB3 TRP 6 HB3 TRP 6 -0.440 -0.441 1.944
38 HD1 TRP 6 HD1 TRP 6 -1.185 0.256 -1.782
39 HE1 TRP 6 HE1 TRP 6 0.676 1.762 -2.695
40 HE3 TRP 6 HE3 TRP 6 1.816 0.446 2.353
41 HZ2 TRP 6 HZ2 TRP 6 3.093 2.892 -1.803
42 HZ3 TRP 6 HZ3 TRP 6 3.889 1.776 2.238
43 HH2 TRP 6 HH2 TRP 6 4.505 2.985 0.201
44 H LEU 7 H LEU 7 0.736 -2.431 2.638
45 HA LEU 7 HA LEU 7 3.302 -2.447 1.460
46 HB2 LEU 7 HB2 LEU 7 2.351 -3.520 4.117
47 HB3 LEU 7 HB3 LEU 7 4.034 -3.341 3.669
48 HG LEU 7 HG LEU 7 2.144 -1.001 3.702
49 HD11 LEU 7 HD11 LEU 7 3.945 -1.830 5.965
50 HD12 LEU 7 HD12 LEU 7 2.211 -2.147 5.922
51 HD13 LEU 7 HD13 LEU 7 2.804 -0.486 5.927
52 HD21 LEU 7 HD21 LEU 7 4.080 -0.441 2.516
53 HD22 LEU 7 HD22 LEU 7 5.124 -1.350 3.609
54 HD23 LEU 7 HD23 LEU 7 4.386 0.160 4.145
55 H ALA 8 H ALA 8 1.009 -5.002 2.257
56 HA ALA 8 HA ALA 8 2.814 -7.156 1.672
57 HB1 ALA 8 HB1 ALA 8 0.638 -8.505 1.718
58 HB2 ALA 8 HB2 ALA 8 -0.134 -6.998 2.211
59 HB3 ALA 8 HB3 ALA 8 1.139 -7.704 3.207
60 H ASP 9 H ASP 9 0.877 -5.064 -0.238
61 HA ASP 9 HA ASP 9 0.628 -6.926 -2.460
62 HB2 ASP 9 HB2 ASP 9 -0.703 -4.512 -1.647
63 HB3 ASP 9 HB3 ASP 9 -0.081 -4.305 -3.279
64 H DAL 10 H DAL 10 3.252 -5.610 -1.370
65 HA DAL 10 HA DAL 10 4.313 -4.960 -4.028
66 HB1 DAL 10 HB1 DAL 10 6.468 -5.610 -3.178
67 HB2 DAL 10 HB2 DAL 10 5.298 -6.879 -2.818
68 HB3 DAL 10 HB3 DAL 10 5.815 -5.769 -1.548
69 H GLY 11 H GLY 11 3.139 -3.301 -1.481
70 HA2 GLY 11 HA2 GLY 11 3.462 -1.210 -0.594
71 HA3 GLY 11 HA3 GLY 11 5.183 -1.436 -0.876
72 H TRP 12 H TRP 12 6.135 -0.556 -2.681
73 HA TRP 12 HA TRP 12 4.471 1.374 -4.112
74 HB2 TRP 12 HB2 TRP 12 7.390 1.191 -3.495
75 HB3 TRP 12 HB3 TRP 12 6.862 2.166 -4.867
76 HD1 TRP 12 HD1 TRP 12 7.485 2.470 -1.285
77 HE1 TRP 12 HE1 TRP 12 6.315 4.536 -0.293
78 HE3 TRP 12 HE3 TRP 12 4.362 3.594 -5.187
79 HZ2 TRP 12 HZ2 TRP 12 4.321 6.368 -1.051
80 HZ3 TRP 12 HZ3 TRP 12 2.870 5.530 -4.977
81 HH2 TRP 12 HH2 TRP 12 2.848 6.894 -2.948
82 H ALA 13 H ALA 13 4.977 -1.676 -4.664
83 HA ALA 13 HA ALA 13 5.952 -1.554 -7.397
84 HB1 ALA 13 HB1 ALA 13 5.907 -3.547 -5.433
85 HB2 ALA 13 HB2 ALA 13 6.470 -3.690 -7.097
86 HB3 ALA 13 HB3 ALA 13 4.802 -4.092 -6.695
87 H SER 14 H SER 14 2.956 -1.839 -5.617
88 HA SER 14 HA SER 14 1.255 -2.615 -7.719
89 HB2 SER 14 HB2 SER 14 -0.445 -1.224 -6.186
90 HB3 SER 14 HB3 SER 14 0.154 -2.810 -5.709
91 HG SER 14 HG SER 14 1.299 -1.922 -4.155
92 H DAL 15 H DAL 15 2.621 0.472 -6.807
93 HA DAL 15 HA DAL 15 1.482 1.655 -9.239
94 HB1 DAL 15 HB1 DAL 15 3.411 2.737 -9.531
95 HB2 DAL 15 HB2 DAL 15 4.057 1.575 -8.374
96 HB3 DAL 15 HB3 DAL 15 3.544 3.172 -7.828
97 H ARG 16 H ARG 16 0.081 1.402 -6.600
98 HA ARG 16 HA ARG 16 -0.879 4.144 -6.480
99 HB2 ARG 16 HB2 ARG 16 -2.778 3.286 -5.388
100 HB3 ARG 16 HB3 ARG 16 -2.341 1.980 -6.488
101 HG2 ARG 16 HG2 ARG 16 -1.064 0.980 -4.513
102 HG3 ARG 16 HG3 ARG 16 -1.958 2.131 -3.515
103 HD2 ARG 16 HD2 ARG 16 -4.065 1.212 -4.590
104 HD3 ARG 16 HD3 ARG 16 -3.059 -0.084 -5.233
105 HE ARG 16 HE ARG 16 -3.785 0.355 -2.439
106 HH11 ARG 16 HH11 ARG 16 -1.994 -1.539 -4.781
107 HH12 ARG 16 HH12 ARG 16 -1.780 -2.881 -3.711
108 HH21 ARG 16 HH21 ARG 16 -3.497 -1.418 -1.038
109 HH22 ARG 16 HH22 ARG 16 -2.634 -2.815 -1.590
110 HA PRO 17 HA PRO 17 1.248 5.112 -2.716
111 HB2 PRO 17 HB2 PRO 17 -0.605 7.109 -1.915
112 HB3 PRO 17 HB3 PRO 17 0.883 7.331 -2.837
113 HG2 PRO 17 HG2 PRO 17 -1.706 7.724 -3.798
114 HG3 PRO 17 HG3 PRO 17 -0.252 7.537 -4.790
115 HD2 PRO 17 HD2 PRO 17 -2.361 5.537 -4.122
116 HD3 PRO 17 HD3 PRO 17 -1.413 5.734 -5.608
117 HA PRO 18 HA PRO 18 -0.426 3.223 0.879
118 HB2 PRO 18 HB2 PRO 18 0.233 5.052 2.837
119 HB3 PRO 18 HB3 PRO 18 1.332 3.847 2.180
120 HG2 PRO 18 HG2 PRO 18 1.083 6.745 1.546
121 HG3 PRO 18 HG3 PRO 18 2.538 5.737 1.642
122 HD2 PRO 18 HD2 PRO 18 1.443 6.485 -0.709
123 HD3 PRO 18 HD3 PRO 18 2.271 4.931 -0.498
124 HA PRO 19 HA PRO 19 -4.346 5.146 1.698
125 HB2 PRO 19 HB2 PRO 19 -5.285 3.303 3.469
126 HB3 PRO 19 HB3 PRO 19 -5.217 3.053 1.736
127 HG2 PRO 19 HG2 PRO 19 -3.573 1.874 3.830
128 HG3 PRO 19 HG3 PRO 19 -3.914 1.288 2.204
129 HD2 PRO 19 HD2 PRO 19 -1.552 2.596 3.090
130 HD3 PRO 19 HD3 PRO 19 -1.984 2.128 1.437
131 H SER 20 H SER 20 -5.299 6.477 3.196
132 HA SER 20 HA SER 20 -4.576 6.435 5.975
133 HB2 SER 20 HB2 SER 20 -3.708 8.832 5.926
134 HB3 SER 20 HB3 SER 20 -2.616 7.599 5.298
135 HG SER 20 HG SER 20 -2.595 8.716 3.531
Start of MODEL 28
1 H1 ASP 1 HT1 ASP 1 -7.084 -3.457 8.070
2 H2 ASP 1 HT2 ASP 1 -8.524 -3.084 7.214
3 H3 ASP 1 HT3 ASP 1 -8.201 -2.331 8.721
4 HA ASP 1 HA ASP 1 -7.816 -0.874 6.860
5 HB2 ASP 1 HB2 ASP 1 -5.691 -0.066 7.666
6 HB3 ASP 1 HB3 ASP 1 -6.575 -0.731 9.034
7 H ALA 2 H ALA 2 -6.446 -0.280 5.083
8 HA ALA 2 HA ALA 2 -5.566 -2.611 3.542
9 HB1 ALA 2 HB1 ALA 2 -6.970 -0.241 2.882
10 HB2 ALA 2 HB2 ALA 2 -6.550 -1.597 1.837
11 HB3 ALA 2 HB3 ALA 2 -5.446 -0.231 1.995
12 H TYR 3 H TYR 3 -4.096 -0.618 5.647
13 HA TYR 3 HA TYR 3 -1.839 0.307 4.197
14 HB2 TYR 3 HB2 TYR 3 -2.761 0.982 6.575
15 HB3 TYR 3 HB3 TYR 3 -1.658 -0.276 7.122
16 HD1 TYR 3 HD1 TYR 3 -1.905 3.040 5.525
17 HD2 TYR 3 HD2 TYR 3 0.731 0.029 7.000
18 HE1 TYR 3 HE1 TYR 3 -0.042 4.640 5.476
19 HE2 TYR 3 HE2 TYR 3 2.598 1.625 6.933
20 HH TYR 3 HH TYR 3 2.515 4.559 7.015
21 H ALA 4 H ALA 4 -2.260 -2.492 6.378
22 HA ALA 4 HA ALA 4 0.328 -3.556 5.964
23 HB1 ALA 4 HB1 ALA 4 -1.193 -5.750 6.564
24 HB2 ALA 4 HB2 ALA 4 -2.166 -4.438 7.229
25 HB3 ALA 4 HB3 ALA 4 -0.494 -4.647 7.749
26 H GLN 5 H GLN 5 -2.749 -3.979 4.287
27 HA GLN 5 HA GLN 5 -1.960 -6.103 2.596
28 HB2 GLN 5 HB2 GLN 5 -4.312 -5.551 2.969
29 HB3 GLN 5 HB3 GLN 5 -4.081 -3.976 2.224
30 HG2 GLN 5 HG2 GLN 5 -5.112 -5.283 0.588
31 HG3 GLN 5 HG3 GLN 5 -3.412 -5.223 0.129
32 HE21 GLN 5 HE21 GLN 5 -3.464 -7.110 -1.055
33 HE22 GLN 5 HE22 GLN 5 -3.650 -8.667 -0.331
34 H TRP 6 H TRP 6 -1.806 -2.584 2.320
35 HA TRP 6 HA TRP 6 -1.015 -2.391 -0.367
36 HB2 TRP 6 HB2 TRP 6 -1.755 -0.449 0.939
37 HB3 TRP 6 HB3 TRP 6 -0.335 -0.580 1.962
38 HD1 TRP 6 HD1 TRP 6 -1.197 0.128 -1.736
39 HE1 TRP 6 HE1 TRP 6 0.599 1.693 -2.684
40 HE3 TRP 6 HE3 TRP 6 1.902 0.376 2.324
41 HZ2 TRP 6 HZ2 TRP 6 3.003 2.887 -1.843
42 HZ3 TRP 6 HZ3 TRP 6 3.932 1.767 2.168
43 HH2 TRP 6 HH2 TRP 6 4.460 3.008 0.126
44 H LEU 7 H LEU 7 0.905 -2.537 2.612
45 HA LEU 7 HA LEU 7 3.437 -2.466 1.370
46 HB2 LEU 7 HB2 LEU 7 2.606 -3.608 4.039
47 HB3 LEU 7 HB3 LEU 7 4.263 -3.329 3.546
48 HG LEU 7 HG LEU 7 2.249 -1.097 3.660
49 HD11 LEU 7 HD11 LEU 7 2.975 -0.565 5.877
50 HD12 LEU 7 HD12 LEU 7 4.128 -1.899 5.872
51 HD13 LEU 7 HD13 LEU 7 2.395 -2.230 5.863
52 HD21 LEU 7 HD21 LEU 7 4.157 -0.472 2.422
53 HD22 LEU 7 HD22 LEU 7 5.250 -1.255 3.564
54 HD23 LEU 7 HD23 LEU 7 4.389 0.212 4.031
55 H ALA 8 H ALA 8 1.251 -5.102 2.194
56 HA ALA 8 HA ALA 8 3.109 -7.193 1.562
57 HB1 ALA 8 HB1 ALA 8 1.402 -8.692 2.078
58 HB2 ALA 8 HB2 ALA 8 0.133 -7.544 1.647
59 HB3 ALA 8 HB3 ALA 8 1.071 -7.309 3.122
60 H ASP 9 H ASP 9 1.059 -5.157 -0.304
61 HA ASP 9 HA ASP 9 0.865 -7.004 -2.542
62 HB2 ASP 9 HB2 ASP 9 -0.646 -4.791 -1.665
63 HB3 ASP 9 HB3 ASP 9 0.076 -4.303 -3.193
64 H DAL 10 H DAL 10 3.453 -5.616 -1.475
65 HA DAL 10 HA DAL 10 4.458 -4.898 -4.137
66 HB1 DAL 10 HB1 DAL 10 5.544 -6.782 -2.991
67 HB2 DAL 10 HB2 DAL 10 5.990 -5.700 -1.671
68 HB3 DAL 10 HB3 DAL 10 6.658 -5.446 -3.284
69 H GLY 11 H GLY 11 3.259 -3.301 -1.557
70 HA2 GLY 11 HA2 GLY 11 3.519 -1.204 -0.661
71 HA3 GLY 11 HA3 GLY 11 5.243 -1.370 -0.964
72 H TRP 12 H TRP 12 6.147 -0.451 -2.770
73 HA TRP 12 HA TRP 12 4.410 1.436 -4.170
74 HB2 TRP 12 HB2 TRP 12 7.340 1.335 -3.589
75 HB3 TRP 12 HB3 TRP 12 6.766 2.303 -4.947
76 HD1 TRP 12 HD1 TRP 12 7.419 2.592 -1.368
77 HE1 TRP 12 HE1 TRP 12 6.210 4.620 -0.347
78 HE3 TRP 12 HE3 TRP 12 4.229 3.671 -5.229
79 HZ2 TRP 12 HZ2 TRP 12 4.165 6.407 -1.068
80 HZ3 TRP 12 HZ3 TRP 12 2.692 5.569 -4.986
81 HH2 TRP 12 HH2 TRP 12 2.660 6.914 -2.944
82 H ALA 13 H ALA 13 5.014 -1.597 -4.742
83 HA ALA 13 HA ALA 13 5.944 -1.431 -7.488
84 HB1 ALA 13 HB1 ALA 13 6.421 -3.606 -7.311
85 HB2 ALA 13 HB2 ALA 13 4.843 -3.991 -6.625
86 HB3 ALA 13 HB3 ALA 13 6.136 -3.395 -5.584
87 H SER 14 H SER 14 2.990 -1.800 -5.665
88 HA SER 14 HA SER 14 1.275 -2.623 -7.738
89 HB2 SER 14 HB2 SER 14 -0.451 -1.328 -6.178
90 HB3 SER 14 HB3 SER 14 0.255 -2.864 -5.681
91 HG SER 14 HG SER 14 1.350 -1.876 -4.159
92 H DAL 15 H DAL 15 2.571 0.499 -6.842
93 HA DAL 15 HA DAL 15 1.344 1.656 -9.243
94 HB1 DAL 15 HB1 DAL 15 3.191 3.481 -8.323
95 HB2 DAL 15 HB2 DAL 15 3.440 2.289 -9.598
96 HB3 DAL 15 HB3 DAL 15 3.919 1.921 -7.942
97 H ARG 16 H ARG 16 0.013 1.349 -6.566
98 HA ARG 16 HA ARG 16 -1.041 4.056 -6.423
99 HB2 ARG 16 HB2 ARG 16 -2.888 3.129 -5.296
100 HB3 ARG 16 HB3 ARG 16 -2.428 1.847 -6.414
101 HG2 ARG 16 HG2 ARG 16 -1.056 0.911 -4.446
102 HG3 ARG 16 HG3 ARG 16 -2.039 1.988 -3.447
103 HD2 ARG 16 HD2 ARG 16 -4.052 0.921 -4.642
104 HD3 ARG 16 HD3 ARG 16 -2.922 -0.338 -5.131
105 HE ARG 16 HE ARG 16 -3.816 0.249 -2.404
106 HH11 ARG 16 HH11 ARG 16 -1.932 -1.768 -4.566
107 HH12 ARG 16 HH12 ARG 16 -1.758 -3.046 -3.414
108 HH21 ARG 16 HH21 ARG 16 -3.579 -1.442 -0.897
109 HH22 ARG 16 HH22 ARG 16 -2.694 -2.865 -1.335
110 HA PRO 17 HA PRO 17 1.123 5.086 -2.695
111 HB2 PRO 17 HB2 PRO 17 -0.784 7.013 -1.851
112 HB3 PRO 17 HB3 PRO 17 0.681 7.291 -2.794
113 HG2 PRO 17 HG2 PRO 17 -1.934 7.603 -3.713
114 HG3 PRO 17 HG3 PRO 17 -0.490 7.470 -4.729
115 HD2 PRO 17 HD2 PRO 17 -2.522 5.398 -4.042
116 HD3 PRO 17 HD3 PRO 17 -1.603 5.633 -5.539
117 HA PRO 18 HA PRO 18 -0.433 3.120 0.910
118 HB2 PRO 18 HB2 PRO 18 0.215 4.943 2.876
119 HB3 PRO 18 HB3 PRO 18 1.332 3.776 2.183
120 HG2 PRO 18 HG2 PRO 18 0.998 6.674 1.596
121 HG3 PRO 18 HG3 PRO 18 2.479 5.700 1.642
122 HD2 PRO 18 HD2 PRO 18 1.301 6.459 -0.670
123 HD3 PRO 18 HD3 PRO 18 2.188 4.933 -0.506
124 HA PRO 19 HA PRO 19 -4.390 4.930 1.820
125 HB2 PRO 19 HB2 PRO 19 -5.260 3.017 3.546
126 HB3 PRO 19 HB3 PRO 19 -5.200 2.810 1.807
127 HG2 PRO 19 HG2 PRO 19 -3.497 1.636 3.862
128 HG3 PRO 19 HG3 PRO 19 -3.849 1.068 2.231
129 HD2 PRO 19 HD2 PRO 19 -1.508 2.418 3.098
130 HD3 PRO 19 HD3 PRO 19 -1.959 1.979 1.444
131 H SER 20 H SER 20 -5.461 6.064 3.447
132 HA SER 20 HA SER 20 -4.676 5.994 6.185
133 HB2 SER 20 HB2 SER 20 -3.873 8.428 6.204
134 HB3 SER 20 HB3 SER 20 -2.744 7.225 5.585
135 HG SER 20 HG SER 20 -2.733 8.298 3.792
Start of MODEL 29
1 H1 ASP 1 HT1 ASP 1 -4.596 -4.892 5.560
2 H2 ASP 1 HT2 ASP 1 -5.222 -5.664 6.959
3 H3 ASP 1 HT3 ASP 1 -4.198 -4.296 7.117
4 HA ASP 1 HA ASP 1 -6.884 -4.346 5.912
5 HB2 ASP 1 HB2 ASP 1 -5.909 -4.092 8.623
6 HB3 ASP 1 HB3 ASP 1 -6.725 -2.611 8.131
7 H ALA 2 H ALA 2 -6.217 -3.238 4.045
8 HA ALA 2 HA ALA 2 -5.919 -1.397 2.753
9 HB1 ALA 2 HB1 ALA 2 -6.171 0.127 5.343
10 HB2 ALA 2 HB2 ALA 2 -7.482 -0.278 4.237
11 HB3 ALA 2 HB3 ALA 2 -6.211 0.832 3.728
12 H TYR 3 H TYR 3 -4.234 -0.254 5.686
13 HA TYR 3 HA TYR 3 -1.947 0.565 4.222
14 HB2 TYR 3 HB2 TYR 3 -2.860 1.338 6.571
15 HB3 TYR 3 HB3 TYR 3 -1.802 0.063 7.166
16 HD1 TYR 3 HD1 TYR 3 -1.939 3.348 5.511
17 HD2 TYR 3 HD2 TYR 3 0.605 0.274 7.017
18 HE1 TYR 3 HE1 TYR 3 -0.027 4.888 5.436
19 HE2 TYR 3 HE2 TYR 3 2.521 1.809 6.924
20 HH TYR 3 HH TYR 3 2.868 4.227 5.268
21 H ALA 4 H ALA 4 -2.481 -2.184 6.440
22 HA ALA 4 HA ALA 4 0.093 -3.314 6.069
23 HB1 ALA 4 HB1 ALA 4 -0.627 -5.062 7.384
24 HB2 ALA 4 HB2 ALA 4 -2.262 -5.029 6.724
25 HB3 ALA 4 HB3 ALA 4 -1.752 -3.795 7.875
26 H GLN 5 H GLN 5 -2.972 -3.621 4.360
27 HA GLN 5 HA GLN 5 -2.241 -5.838 2.742
28 HB2 GLN 5 HB2 GLN 5 -4.578 -5.261 3.060
29 HB3 GLN 5 HB3 GLN 5 -4.319 -3.673 2.351
30 HG2 GLN 5 HG2 GLN 5 -5.402 -5.056 0.741
31 HG3 GLN 5 HG3 GLN 5 -3.744 -4.775 0.213
32 HE21 GLN 5 HE21 GLN 5 -2.330 -6.482 0.073
33 HE22 GLN 5 HE22 GLN 5 -2.812 -8.128 0.274
34 H TRP 6 H TRP 6 -1.999 -2.330 2.383
35 HA TRP 6 HA TRP 6 -1.187 -2.210 -0.299
36 HB2 TRP 6 HB2 TRP 6 -1.852 -0.216 0.963
37 HB3 TRP 6 HB3 TRP 6 -0.453 -0.391 2.010
38 HD1 TRP 6 HD1 TRP 6 -1.218 0.276 -1.719
39 HE1 TRP 6 HE1 TRP 6 0.649 1.757 -2.660
40 HE3 TRP 6 HE3 TRP 6 1.804 0.499 2.400
41 HZ2 TRP 6 HZ2 TRP 6 3.076 2.884 -1.793
42 HZ3 TRP 6 HZ3 TRP 6 3.884 1.816 2.258
43 HH2 TRP 6 HH2 TRP 6 4.497 2.994 0.203
44 H LEU 7 H LEU 7 0.715 -2.383 2.690
45 HA LEU 7 HA LEU 7 3.256 -2.436 1.464
46 HB2 LEU 7 HB2 LEU 7 2.360 -3.504 4.142
47 HB3 LEU 7 HB3 LEU 7 4.030 -3.302 3.658
48 HG LEU 7 HG LEU 7 2.112 -0.985 3.736
49 HD11 LEU 7 HD11 LEU 7 2.216 -2.112 5.953
50 HD12 LEU 7 HD12 LEU 7 2.836 -0.461 5.949
51 HD13 LEU 7 HD13 LEU 7 3.956 -1.824 5.963
52 HD21 LEU 7 HD21 LEU 7 4.287 0.248 4.079
53 HD22 LEU 7 HD22 LEU 7 4.062 -0.482 2.490
54 HD23 LEU 7 HD23 LEU 7 5.108 -1.261 3.678
55 H ALA 8 H ALA 8 0.954 -4.962 2.312
56 HA ALA 8 HA ALA 8 2.723 -7.142 1.731
57 HB1 ALA 8 HB1 ALA 8 -0.282 -7.133 1.990
58 HB2 ALA 8 HB2 ALA 8 0.862 -7.367 3.312
59 HB3 ALA 8 HB3 ALA 8 0.765 -8.553 2.010
60 H ASP 9 H ASP 9 0.772 -5.053 -0.191
61 HA ASP 9 HA ASP 9 0.531 -6.932 -2.397
62 HB2 ASP 9 HB2 ASP 9 -0.895 -4.633 -1.578
63 HB3 ASP 9 HB3 ASP 9 -0.160 -4.232 -3.126
64 H DAL 10 H DAL 10 3.161 -5.628 -1.333
65 HA DAL 10 HA DAL 10 4.209 -4.987 -3.999
66 HB1 DAL 10 HB1 DAL 10 5.717 -5.802 -1.525
67 HB2 DAL 10 HB2 DAL 10 6.365 -5.650 -3.159
68 HB3 DAL 10 HB3 DAL 10 5.186 -6.910 -2.791
69 H GLY 11 H GLY 11 3.069 -3.305 -1.449
70 HA2 GLY 11 HA2 GLY 11 3.423 -1.213 -0.574
71 HA3 GLY 11 HA3 GLY 11 5.138 -1.460 -0.867
72 H TRP 12 H TRP 12 6.093 -0.583 -2.663
73 HA TRP 12 HA TRP 12 4.444 1.352 -4.101
74 HB2 TRP 12 HB2 TRP 12 7.361 1.148 -3.482
75 HB3 TRP 12 HB3 TRP 12 6.843 2.119 -4.861
76 HD1 TRP 12 HD1 TRP 12 7.469 2.447 -1.283
77 HE1 TRP 12 HE1 TRP 12 6.314 4.529 -0.308
78 HE3 TRP 12 HE3 TRP 12 4.348 3.558 -5.191
79 HZ2 TRP 12 HZ2 TRP 12 4.330 6.366 -1.077
80 HZ3 TRP 12 HZ3 TRP 12 2.868 5.506 -4.995
81 HH2 TRP 12 HH2 TRP 12 2.858 6.886 -2.976
82 H ALA 13 H ALA 13 4.973 -1.714 -4.635
83 HA ALA 13 HA ALA 13 5.929 -1.603 -7.373
84 HB1 ALA 13 HB1 ALA 13 4.767 -4.134 -6.625
85 HB2 ALA 13 HB2 ALA 13 5.913 -3.577 -5.405
86 HB3 ALA 13 HB3 ALA 13 6.425 -3.747 -7.083
87 H SER 14 H SER 14 2.934 -1.851 -5.591
88 HA SER 14 HA SER 14 1.232 -2.646 -7.690
89 HB2 SER 14 HB2 SER 14 -0.489 -1.303 -6.171
90 HB3 SER 14 HB3 SER 14 0.176 -2.847 -5.644
91 HG SER 14 HG SER 14 1.279 -1.864 -4.121
92 H DAL 15 H DAL 15 2.621 0.438 -6.814
93 HA DAL 15 HA DAL 15 1.448 1.618 -9.228
94 HB1 DAL 15 HB1 DAL 15 3.652 2.002 -9.484
95 HB2 DAL 15 HB2 DAL 15 3.973 1.988 -7.750
96 HB3 DAL 15 HB3 DAL 15 3.282 3.422 -8.508
97 H ARG 16 H ARG 16 0.074 1.358 -6.569
98 HA ARG 16 HA ARG 16 -0.929 4.081 -6.450
99 HB2 ARG 16 HB2 ARG 16 -2.786 3.192 -5.298
100 HB3 ARG 16 HB3 ARG 16 -2.353 1.897 -6.413
101 HG2 ARG 16 HG2 ARG 16 -0.951 1.005 -4.410
102 HG3 ARG 16 HG3 ARG 16 -2.015 2.037 -3.448
103 HD2 ARG 16 HD2 ARG 16 -3.964 0.907 -4.493
104 HD3 ARG 16 HD3 ARG 16 -2.848 -0.178 -5.317
105 HE ARG 16 HE ARG 16 -2.574 -1.339 -3.367
106 HH11 ARG 16 HH11 ARG 16 -4.102 1.725 -2.621
107 HH12 ARG 16 HH12 ARG 16 -4.451 1.290 -0.982
108 HH21 ARG 16 HH21 ARG 16 -3.035 -1.902 -1.208
109 HH22 ARG 16 HH22 ARG 16 -3.844 -0.769 -0.179
110 HA PRO 17 HA PRO 17 1.257 5.100 -2.726
111 HB2 PRO 17 HB2 PRO 17 -0.574 7.114 -1.934
112 HB3 PRO 17 HB3 PRO 17 0.895 7.318 -2.891
113 HG2 PRO 17 HG2 PRO 17 -1.719 7.692 -3.800
114 HG3 PRO 17 HG3 PRO 17 -0.284 7.504 -4.819
115 HD2 PRO 17 HD2 PRO 17 -2.368 5.500 -4.092
116 HD3 PRO 17 HD3 PRO 17 -1.445 5.683 -5.594
117 HA PRO 18 HA PRO 18 -0.405 3.270 0.903
118 HB2 PRO 18 HB2 PRO 18 0.253 5.121 2.838
119 HB3 PRO 18 HB3 PRO 18 1.354 3.912 2.191
120 HG2 PRO 18 HG2 PRO 18 1.097 6.803 1.528
121 HG3 PRO 18 HG3 PRO 18 2.554 5.799 1.630
122 HD2 PRO 18 HD2 PRO 18 1.447 6.521 -0.725
123 HD3 PRO 18 HD3 PRO 18 2.286 4.974 -0.502
124 HA PRO 19 HA PRO 19 -4.336 5.179 1.685
125 HB2 PRO 19 HB2 PRO 19 -5.248 3.366 3.508
126 HB3 PRO 19 HB3 PRO 19 -5.209 3.093 1.778
127 HG2 PRO 19 HG2 PRO 19 -3.537 1.936 3.857
128 HG3 PRO 19 HG3 PRO 19 -3.888 1.342 2.236
129 HD2 PRO 19 HD2 PRO 19 -1.526 2.661 3.103
130 HD3 PRO 19 HD3 PRO 19 -1.965 2.180 1.457
131 H SER 20 H SER 20 -5.097 6.705 3.033
132 HA SER 20 HA SER 20 -4.098 6.782 5.798
133 HB2 SER 20 HB2 SER 20 -3.996 9.317 5.537
134 HB3 SER 20 HB3 SER 20 -2.736 8.400 4.713
135 HG SER 20 HG SER 20 -4.912 9.803 3.649
Start of MODEL 30
1 H1 ASP 1 HT1 ASP 1 -4.358 -4.742 5.760
2 H2 ASP 1 HT2 ASP 1 -5.174 -5.545 7.038
3 H3 ASP 1 HT3 ASP 1 -4.343 -4.074 7.339
4 HA ASP 1 HA ASP 1 -6.707 -4.426 5.617
5 HB2 ASP 1 HB2 ASP 1 -6.271 -3.548 8.451
6 HB3 ASP 1 HB3 ASP 1 -7.590 -2.837 7.525
7 H ALA 2 H ALA 2 -6.185 -3.179 3.897
8 HA ALA 2 HA ALA 2 -5.912 -1.300 2.659
9 HB1 ALA 2 HB1 ALA 2 -6.386 0.851 3.575
10 HB2 ALA 2 HB2 ALA 2 -6.091 0.282 5.217
11 HB3 ALA 2 HB3 ALA 2 -7.490 -0.304 4.319
12 H TYR 3 H TYR 3 -4.263 -0.189 5.627
13 HA TYR 3 HA TYR 3 -1.966 0.649 4.179
14 HB2 TYR 3 HB2 TYR 3 -2.905 1.424 6.519
15 HB3 TYR 3 HB3 TYR 3 -1.839 0.160 7.124
16 HD1 TYR 3 HD1 TYR 3 -1.991 3.436 5.444
17 HD2 TYR 3 HD2 TYR 3 0.563 0.394 6.998
18 HE1 TYR 3 HE1 TYR 3 -0.091 4.989 5.370
19 HE2 TYR 3 HE2 TYR 3 2.469 1.942 6.904
20 HH TYR 3 HH TYR 3 2.403 4.942 6.890
21 H ALA 4 H ALA 4 -2.493 -2.076 6.429
22 HA ALA 4 HA ALA 4 0.079 -3.209 6.059
23 HB1 ALA 4 HB1 ALA 4 -0.694 -5.049 7.298
24 HB2 ALA 4 HB2 ALA 4 -2.368 -4.787 6.810
25 HB3 ALA 4 HB3 ALA 4 -1.595 -3.675 7.939
26 H GLN 5 H GLN 5 -2.987 -3.518 4.360
27 HA GLN 5 HA GLN 5 -2.277 -5.768 2.773
28 HB2 GLN 5 HB2 GLN 5 -4.609 -5.169 3.100
29 HB3 GLN 5 HB3 GLN 5 -4.344 -3.596 2.360
30 HG2 GLN 5 HG2 GLN 5 -5.450 -5.009 0.787
31 HG3 GLN 5 HG3 GLN 5 -3.798 -4.735 0.238
32 HE21 GLN 5 HE21 GLN 5 -2.792 -6.469 -0.490
33 HE22 GLN 5 HE22 GLN 5 -3.109 -8.102 -0.023
34 H TRP 6 H TRP 6 -1.988 -2.271 2.389
35 HA TRP 6 HA TRP 6 -1.192 -2.192 -0.306
36 HB2 TRP 6 HB2 TRP 6 -1.863 -0.179 0.916
37 HB3 TRP 6 HB3 TRP 6 -0.472 -0.335 1.975
38 HD1 TRP 6 HD1 TRP 6 -1.225 0.292 -1.763
39 HE1 TRP 6 HE1 TRP 6 0.650 1.757 -2.715
40 HE3 TRP 6 HE3 TRP 6 1.793 0.537 2.357
41 HZ2 TRP 6 HZ2 TRP 6 3.081 2.882 -1.853
42 HZ3 TRP 6 HZ3 TRP 6 3.879 1.844 2.207
43 HH2 TRP 6 HH2 TRP 6 4.500 3.003 0.144
44 H LEU 7 H LEU 7 0.706 -2.314 2.687
45 HA LEU 7 HA LEU 7 3.249 -2.381 1.470
46 HB2 LEU 7 HB2 LEU 7 2.353 -3.438 4.153
47 HB3 LEU 7 HB3 LEU 7 4.023 -3.227 3.669
48 HG LEU 7 HG LEU 7 2.099 -0.916 3.717
49 HD11 LEU 7 HD11 LEU 7 2.185 -2.068 5.941
50 HD12 LEU 7 HD12 LEU 7 2.734 -0.392 5.942
51 HD13 LEU 7 HD13 LEU 7 3.911 -1.705 5.985
52 HD21 LEU 7 HD21 LEU 7 5.093 -1.202 3.702
53 HD22 LEU 7 HD22 LEU 7 4.281 0.308 4.120
54 HD23 LEU 7 HD23 LEU 7 4.064 -0.396 2.517
55 H ALA 8 H ALA 8 0.949 -4.904 2.336
56 HA ALA 8 HA ALA 8 2.713 -7.091 1.778
57 HB1 ALA 8 HB1 ALA 8 0.768 -8.497 2.070
58 HB2 ALA 8 HB2 ALA 8 -0.295 -7.093 1.981
59 HB3 ALA 8 HB3 ALA 8 0.815 -7.274 3.339
60 H ASP 9 H ASP 9 0.728 -5.033 -0.164
61 HA ASP 9 HA ASP 9 0.517 -6.911 -2.365
62 HB2 ASP 9 HB2 ASP 9 -0.989 -4.734 -1.564
63 HB3 ASP 9 HB3 ASP 9 -0.119 -4.117 -2.964
64 H DAL 10 H DAL 10 3.152 -5.606 -1.289
65 HA DAL 10 HA DAL 10 4.223 -5.003 -3.954
66 HB1 DAL 10 HB1 DAL 10 5.197 -6.912 -2.744
67 HB2 DAL 10 HB2 DAL 10 5.692 -5.816 -1.454
68 HB3 DAL 10 HB3 DAL 10 6.380 -5.644 -3.069
69 H GLY 11 H GLY 11 3.087 -3.296 -1.403
70 HA2 GLY 11 HA2 GLY 11 3.442 -1.193 -0.557
71 HA3 GLY 11 HA3 GLY 11 5.157 -1.446 -0.853
72 H TRP 12 H TRP 12 6.105 -0.598 -2.669
73 HA TRP 12 HA TRP 12 4.450 1.321 -4.124
74 HB2 TRP 12 HB2 TRP 12 7.371 1.122 -3.521
75 HB3 TRP 12 HB3 TRP 12 6.843 2.078 -4.906
76 HD1 TRP 12 HD1 TRP 12 7.479 2.426 -1.328
77 HE1 TRP 12 HE1 TRP 12 6.339 4.522 -0.365
78 HE3 TRP 12 HE3 TRP 12 4.367 3.539 -5.244
79 HZ2 TRP 12 HZ2 TRP 12 4.372 6.370 -1.146
80 HZ3 TRP 12 HZ3 TRP 12 2.904 5.500 -5.059
81 HH2 TRP 12 HH2 TRP 12 2.904 6.892 -3.048
82 H ALA 13 H ALA 13 4.957 -1.749 -4.618
83 HA ALA 13 HA ALA 13 5.899 -1.683 -7.362
84 HB1 ALA 13 HB1 ALA 13 6.322 -3.856 -7.107
85 HB2 ALA 13 HB2 ALA 13 4.707 -4.185 -6.481
86 HB3 ALA 13 HB3 ALA 13 5.974 -3.612 -5.396
87 H SER 14 H SER 14 2.918 -1.894 -5.553
88 HA SER 14 HA SER 14 1.187 -2.705 -7.616
89 HB2 SER 14 HB2 SER 14 -0.495 -1.290 -6.111
90 HB3 SER 14 HB3 SER 14 0.138 -2.840 -5.563
91 HG SER 14 HG SER 14 1.277 -1.857 -4.067
92 H DAL 15 H DAL 15 2.599 0.387 -6.796
93 HA DAL 15 HA DAL 15 1.453 1.523 -9.246
94 HB1 DAL 15 HB1 DAL 15 4.029 1.660 -7.976
95 HB2 DAL 15 HB2 DAL 15 3.387 3.275 -8.276
96 HB3 DAL 15 HB3 DAL 15 3.550 2.129 -9.606
97 H ARG 16 H ARG 16 0.073 1.351 -6.587
98 HA ARG 16 HA ARG 16 -0.855 4.108 -6.531
99 HB2 ARG 16 HB2 ARG 16 -2.763 3.299 -5.418
100 HB3 ARG 16 HB3 ARG 16 -2.348 1.969 -6.496
101 HG2 ARG 16 HG2 ARG 16 -1.073 0.994 -4.498
102 HG3 ARG 16 HG3 ARG 16 -1.973 2.164 -3.527
103 HD2 ARG 16 HD2 ARG 16 -4.071 1.230 -4.626
104 HD3 ARG 16 HD3 ARG 16 -3.056 -0.090 -5.202
105 HE ARG 16 HE ARG 16 -3.824 0.455 -2.435
106 HH11 ARG 16 HH11 ARG 16 -2.047 -1.553 -4.692
107 HH12 ARG 16 HH12 ARG 16 -1.872 -2.862 -3.575
108 HH21 ARG 16 HH21 ARG 16 -3.587 -1.275 -0.973
109 HH22 ARG 16 HH22 ARG 16 -2.747 -2.707 -1.467
110 HA PRO 17 HA PRO 17 1.287 5.125 -2.786
111 HB2 PRO 17 HB2 PRO 17 -0.551 7.150 -2.018
112 HB3 PRO 17 HB3 PRO 17 0.942 7.345 -2.938
113 HG2 PRO 17 HG2 PRO 17 -1.637 7.750 -3.915
114 HG3 PRO 17 HG3 PRO 17 -0.183 7.527 -4.900
115 HD2 PRO 17 HD2 PRO 17 -2.318 5.565 -4.200
116 HD3 PRO 17 HD3 PRO 17 -1.368 5.725 -5.687
117 HA PRO 18 HA PRO 18 -0.410 3.312 0.837
118 HB2 PRO 18 HB2 PRO 18 0.248 5.172 2.768
119 HB3 PRO 18 HB3 PRO 18 1.340 3.944 2.143
120 HG2 PRO 18 HG2 PRO 18 1.132 6.832 1.461
121 HG3 PRO 18 HG3 PRO 18 2.572 5.804 1.571
122 HD2 PRO 18 HD2 PRO 18 1.481 6.540 -0.790
123 HD3 PRO 18 HD3 PRO 18 2.302 4.985 -0.561
124 HA PRO 19 HA PRO 19 -4.326 5.263 1.603
125 HB2 PRO 19 HB2 PRO 19 -5.278 3.448 3.398
126 HB3 PRO 19 HB3 PRO 19 -5.205 3.174 1.668
127 HG2 PRO 19 HG2 PRO 19 -3.572 2.017 3.784
128 HG3 PRO 19 HG3 PRO 19 -3.906 1.414 2.162
129 HD2 PRO 19 HD2 PRO 19 -1.547 2.727 3.047
130 HD3 PRO 19 HD3 PRO 19 -1.970 2.237 1.399
131 H SER 20 H SER 20 -5.413 6.480 3.161
132 HA SER 20 HA SER 20 -3.765 7.398 5.351
133 HB2 SER 20 HB2 SER 20 -5.732 8.982 5.725
134 HB3 SER 20 HB3 SER 20 -4.895 9.128 4.181
135 HG SER 20 HG SER 20 -7.447 8.137 4.744
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