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 |
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|
585675 |
2mwl   |
25335 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 2.655 -0.924 -1.287
3 HB VAL 1 HB VAL 1 0.640 1.003 -2.451
4 HG11 VAL 1 1HG1 VAL 1 3.033 0.036 -3.517
5 HG12 VAL 1 2HG1 VAL 1 1.761 -0.921 -4.276
6 HG13 VAL 1 3HG1 VAL 1 1.725 0.839 -4.384
7 HG21 VAL 1 3HG2 VAL 1 -0.314 -1.092 -1.446
8 HG22 VAL 1 1HG2 VAL 1 -0.615 -0.889 -3.172
9 HG23 VAL 1 2HG2 VAL 1 0.633 -2.006 -2.620
10 H ALA 2 H ALA 2 1.613 2.435 -0.749
11 HA ALA 2 HA ALA 2 4.394 3.278 -1.252
12 HB1 ALA 2 1HB ALA 2 2.970 4.088 -3.024
13 HB2 ALA 2 2HB ALA 2 1.854 4.787 -1.850
14 HB3 ALA 2 3HB ALA 2 3.483 5.441 -2.016
15 H ARG 3 H ARG 3 2.445 5.828 -0.348
16 HA ARG 3 HA ARG 3 3.212 5.547 2.484
17 HB2 ARG 3 2HB ARG 3 3.201 8.061 0.803
18 HB3 ARG 3 3HB ARG 3 3.523 8.003 2.531
19 HG2 ARG 3 2HG ARG 3 5.663 7.952 1.857
20 HG3 ARG 3 3HG ARG 3 5.344 6.228 1.657
21 HD2 ARG 3 2HD ARG 3 5.989 6.491 -0.461
22 HD3 ARG 3 3HD ARG 3 4.458 7.328 -0.713
23 HE ARG 3 HE ARG 3 6.338 9.161 0.268
24 HH11 ARG 3 1HH1 ARG 3 5.688 7.272 -2.583
25 HH12 ARG 3 2HH1 ARG 3 6.457 8.391 -3.659
26 HH21 ARG 3 1HH2 ARG 3 7.354 10.642 -1.138
27 HH22 ARG 3 2HH2 ARG 3 7.406 10.307 -2.836
28 H GLY 4 H GLY 4 0.826 6.601 0.159
29 HA2 GLY 4 2HA GLY 4 -0.944 7.832 2.020
30 HA3 GLY 4 3HA GLY 4 -1.352 7.304 0.395
31 H TRP 5 H TRP 5 -0.096 4.626 1.638
32 HA TRP 5 HA TRP 5 -2.670 3.445 2.116
33 HB2 TRP 5 2HB TRP 5 0.143 2.435 1.966
34 HB3 TRP 5 3HB TRP 5 -1.094 1.419 2.700
35 HD1 TRP 5 HD1 TRP 5 -2.298 -0.130 1.064
36 HE1 TRP 5 HE1 TRP 5 -2.681 -0.194 -1.480
37 HE3 TRP 5 HE3 TRP 5 -0.105 4.312 -0.197
38 HZ2 TRP 5 HZ2 TRP 5 -2.126 1.425 -3.725
39 HZ3 TRP 5 HZ3 TRP 5 -0.073 4.981 -2.565
40 HH2 TRP 5 HH2 TRP 5 -1.062 3.566 -4.291
41 H LYS 6 H LYS 6 -2.031 5.472 3.997
42 HA LYS 6 HA LYS 6 -1.881 3.871 6.467
43 HB2 LYS 6 2HB LYS 6 -0.710 6.574 5.848
44 HB3 LYS 6 3HB LYS 6 -1.016 6.064 7.503
45 HG2 LYS 6 2HG LYS 6 0.718 4.629 7.525
46 HG3 LYS 6 3HG LYS 6 0.490 4.159 5.839
47 HD2 LYS 6 2HD LYS 6 2.148 5.509 5.233
48 HD3 LYS 6 3HD LYS 6 1.277 6.891 5.902
49 HE2 LYS 6 2HE LYS 6 3.279 6.936 7.069
50 HE3 LYS 6 3HE LYS 6 2.208 6.074 8.172
51 HZ1 LYS 6 3HZ LYS 6 3.136 3.992 7.430
52 HZ2 LYS 6 1HZ LYS 6 4.385 5.008 7.951
53 HZ3 LYS 6 2HZ LYS 6 4.114 4.780 6.297
54 H ARG 7 H ARG 7 -2.612 7.299 5.987
55 HA ARG 7 HA ARG 7 -5.066 6.970 7.507
56 HB2 ARG 7 2HB ARG 7 -3.594 9.388 6.465
57 HB3 ARG 7 3HB ARG 7 -5.160 9.497 7.258
58 HG2 ARG 7 2HG ARG 7 -4.277 9.247 9.293
59 HG3 ARG 7 3HG ARG 7 -3.190 7.961 8.766
60 HD2 ARG 7 2HD ARG 7 -1.491 9.394 8.315
61 HD3 ARG 7 3HD ARG 7 -2.576 10.689 7.809
62 HE ARG 7 HE ARG 7 -2.853 10.305 10.573
63 HH11 ARG 7 1HH1 ARG 7 -0.524 11.461 8.257
64 HH12 ARG 7 2HH1 ARG 7 0.233 12.554 9.369
65 HH21 ARG 7 1HH2 ARG 7 -1.865 11.740 12.045
66 HH22 ARG 7 2HH2 ARG 7 -0.530 12.711 11.523
67 H LYS 8 H LYS 8 -4.493 9.067 4.705
68 HA LYS 8 HA LYS 8 -7.160 8.639 3.745
69 HB2 LYS 8 2HB LYS 8 -6.409 10.092 1.844
70 HB3 LYS 8 3HB LYS 8 -6.209 10.813 3.436
71 HG2 LYS 8 2HG LYS 8 -4.130 11.277 2.812
72 HG3 LYS 8 3HG LYS 8 -3.797 9.554 3.005
73 HD2 LYS 8 2HD LYS 8 -3.828 9.158 0.756
74 HD3 LYS 8 3HD LYS 8 -4.984 10.451 0.434
75 HE2 LYS 8 2HE LYS 8 -3.368 11.987 0.136
76 HE3 LYS 8 3HE LYS 8 -2.389 11.357 1.459
77 HZ1 LYS 8 3HZ LYS 8 -1.145 10.196 0.049
78 HZ2 LYS 8 1HZ LYS 8 -1.859 11.086 -1.200
79 HZ3 LYS 8 2HZ LYS 8 -2.485 9.574 -0.775
80 H CYS 9 H CYS 9 -6.222 6.174 3.812
81 HA CYS 9 HA CYS 9 -4.736 5.034 1.865
82 HB2 CYS 9 2HB CYS 9 -6.503 3.143 1.895
83 HB3 CYS 9 3HB CYS 9 -5.682 3.545 3.399
84 HG CYS 9 HG CYS 9 -7.793 4.064 4.764
85 HA PRO 10 HA PRO 10 -6.876 6.707 -1.749
86 HB2 PRO 10 2HB PRO 10 -4.830 6.196 -3.460
87 HB3 PRO 10 3HB PRO 10 -4.865 7.609 -2.399
88 HG2 PRO 10 2HG PRO 10 -3.431 5.007 -2.039
89 HG3 PRO 10 3HG PRO 10 -2.851 6.655 -1.736
90 HD2 PRO 10 2HD PRO 10 -3.715 5.026 0.247
91 HD3 PRO 10 3HD PRO 10 -3.917 6.789 0.303
92 H LEU 11 H LEU 11 -5.118 3.638 -1.528
93 HA LEU 11 HA LEU 11 -7.129 2.447 -3.322
94 HB2 LEU 11 2HB LEU 11 -5.113 2.451 -4.542
95 HB3 LEU 11 3HB LEU 11 -4.173 1.950 -3.139
96 HG LEU 11 HG LEU 11 -6.240 0.094 -4.224
97 HD11 LEU 11 1HD1 LEU 11 -5.244 0.453 -6.262
98 HD12 LEU 11 2HD1 LEU 11 -4.223 -0.826 -5.605
99 HD13 LEU 11 3HD1 LEU 11 -3.679 0.851 -5.551
100 HD21 LEU 11 3HD2 LEU 11 -4.460 -0.035 -2.159
101 HD22 LEU 11 1HD2 LEU 11 -3.584 -0.858 -3.449
102 HD23 LEU 11 2HD2 LEU 11 -5.182 -1.428 -2.966
103 H PHE 12 H PHE 12 -5.077 2.052 -0.500
104 HA PHE 12 HA PHE 12 -5.401 -0.506 0.275
105 HB2 PHE 12 2HB PHE 12 -4.650 1.811 1.552
106 HB3 PHE 12 3HB PHE 12 -6.070 1.321 2.470
107 HD1 PHE 12 HD1 PHE 12 -5.640 -1.696 1.998
108 HD2 PHE 12 HD2 PHE 12 -3.079 1.441 3.307
109 HE1 PHE 12 HE1 PHE 12 -4.277 -3.329 3.235
110 HE2 PHE 12 HE2 PHE 12 -1.711 -0.187 4.545
111 HZ PHE 12 HZ PHE 12 -2.309 -2.576 4.509
112 H GLY 13 H GLY 13 -7.788 2.040 1.035
113 HA2 GLY 13 2HA GLY 13 -9.825 -0.097 1.205
114 HA3 GLY 13 3HA GLY 13 -9.824 1.309 2.260
115 H LYS 14 H LYS 14 -9.142 1.337 -1.195
116 HA LYS 14 HA LYS 14 -10.571 3.523 -1.900
117 HB2 LYS 14 2HB LYS 14 -10.880 2.418 -4.162
118 HB3 LYS 14 3HB LYS 14 -9.230 2.483 -3.555
119 HG2 LYS 14 2HG LYS 14 -9.488 0.141 -2.770
120 HG3 LYS 14 3HG LYS 14 -11.072 0.102 -3.548
121 HD2 LYS 14 2HD LYS 14 -10.053 0.520 -5.708
122 HD3 LYS 14 3HD LYS 14 -8.464 0.674 -4.956
123 HE2 LYS 14 2HE LYS 14 -8.292 -1.499 -5.552
124 HE3 LYS 14 3HE LYS 14 -9.166 -1.751 -4.041
125 HZ1 LYS 14 3HZ LYS 14 -10.537 -1.431 -6.648
126 HZ2 LYS 14 1HZ LYS 14 -11.189 -1.998 -5.193
127 HZ3 LYS 14 2HZ LYS 14 -10.068 -2.939 -6.041
128 H GLY 15 H GLY 15 -11.857 0.256 -1.482
129 HA2 GLY 15 2HA GLY 15 -14.516 1.008 -2.302
130 HA3 GLY 15 3HA GLY 15 -14.032 -0.533 -1.611
131 H GLY 16 H GLY 16 -13.382 -0.353 0.795
132 HA2 GLY 16 2HA GLY 16 -14.232 1.614 2.512
133 HA3 GLY 16 3HA GLY 16 -15.672 0.661 2.183
Start of MODEL 2
1 H1 VAL 1 H VAL 1 0.875 -1.521 1.165
2 HA VAL 1 HA VAL 1 2.650 -2.061 -0.322
3 HB VAL 1 HB VAL 1 0.791 -0.251 -1.870
4 HG11 VAL 1 1HG1 VAL 1 3.103 -1.582 -2.690
5 HG12 VAL 1 2HG1 VAL 1 1.764 -2.578 -3.264
6 HG13 VAL 1 3HG1 VAL 1 1.857 -0.876 -3.718
7 HG21 VAL 1 3HG2 VAL 1 0.549 -3.224 -1.444
8 HG22 VAL 1 1HG2 VAL 1 -0.330 -2.024 -0.496
9 HG23 VAL 1 2HG2 VAL 1 -0.606 -2.150 -2.233
10 H ALA 2 H ALA 2 1.868 1.406 -0.457
11 HA ALA 2 HA ALA 2 4.705 1.925 -1.072
12 HB1 ALA 2 1HB ALA 2 2.286 3.477 -1.984
13 HB2 ALA 2 2HB ALA 2 3.961 3.965 -2.249
14 HB3 ALA 2 3HB ALA 2 3.345 2.486 -2.987
15 H ARG 3 H ARG 3 2.960 4.742 -0.702
16 HA ARG 3 HA ARG 3 3.703 4.953 2.142
17 HB2 ARG 3 2HB ARG 3 4.108 7.398 1.657
18 HB3 ARG 3 3HB ARG 3 5.269 6.284 0.948
19 HG2 ARG 3 2HG ARG 3 4.058 6.443 -1.198
20 HG3 ARG 3 3HG ARG 3 2.986 7.640 -0.469
21 HD2 ARG 3 2HD ARG 3 5.733 8.347 -0.009
22 HD3 ARG 3 3HD ARG 3 5.452 8.084 -1.729
23 HE ARG 3 HE ARG 3 4.523 10.271 -0.162
24 HH11 ARG 3 1HH1 ARG 3 3.705 8.228 -2.859
25 HH12 ARG 3 2HH1 ARG 3 2.701 9.416 -3.622
26 HH21 ARG 3 1HH2 ARG 3 3.204 11.844 -1.156
27 HH22 ARG 3 2HH2 ARG 3 2.417 11.473 -2.653
28 H GLY 4 H GLY 4 1.407 5.718 -0.377
29 HA2 GLY 4 2HA GLY 4 -0.262 7.417 1.186
30 HA3 GLY 4 3HA GLY 4 -0.710 6.619 -0.314
31 H TRP 5 H TRP 5 0.334 4.142 1.441
32 HA TRP 5 HA TRP 5 -2.324 3.274 2.093
33 HB2 TRP 5 2HB TRP 5 0.404 2.047 2.191
34 HB3 TRP 5 3HB TRP 5 -0.908 1.288 3.088
35 HD1 TRP 5 HD1 TRP 5 -2.218 -0.461 1.766
36 HE1 TRP 5 HE1 TRP 5 -2.603 -0.990 -0.724
37 HE3 TRP 5 HE3 TRP 5 0.292 3.485 -0.300
38 HZ2 TRP 5 HZ2 TRP 5 -1.931 0.119 -3.231
39 HZ3 TRP 5 HZ3 TRP 5 0.374 3.677 -2.751
40 HH2 TRP 5 HH2 TRP 5 -0.714 2.028 -4.185
41 H LYS 6 H LYS 6 -1.494 5.578 3.558
42 HA LYS 6 HA LYS 6 -1.508 4.480 6.293
43 HB2 LYS 6 2HB LYS 6 0.109 6.646 5.085
44 HB3 LYS 6 3HB LYS 6 -0.540 6.972 6.687
45 HG2 LYS 6 2HG LYS 6 1.145 5.837 7.558
46 HG3 LYS 6 3HG LYS 6 0.529 4.376 6.783
47 HD2 LYS 6 2HD LYS 6 1.813 4.932 4.759
48 HD3 LYS 6 3HD LYS 6 2.454 6.361 5.572
49 HE2 LYS 6 2HE LYS 6 4.147 4.823 5.892
50 HE3 LYS 6 3HE LYS 6 3.220 4.665 7.383
51 HZ1 LYS 6 3HZ LYS 6 3.462 2.489 6.785
52 HZ2 LYS 6 1HZ LYS 6 3.435 2.808 5.124
53 HZ3 LYS 6 2HZ LYS 6 1.996 2.832 6.013
54 H ARG 7 H ARG 7 -1.905 7.807 5.161
55 HA ARG 7 HA ARG 7 -4.366 8.025 6.675
56 HB2 ARG 7 2HB ARG 7 -2.733 10.029 5.116
57 HB3 ARG 7 3HB ARG 7 -4.249 10.432 5.912
58 HG2 ARG 7 2HG ARG 7 -1.901 9.255 7.371
59 HG3 ARG 7 3HG ARG 7 -2.148 10.992 7.177
60 HD2 ARG 7 2HD ARG 7 -4.550 10.377 8.110
61 HD3 ARG 7 3HD ARG 7 -3.665 9.019 8.803
62 HE ARG 7 HE ARG 7 -3.494 11.786 9.583
63 HH11 ARG 7 1HH1 ARG 7 -1.901 8.690 9.586
64 HH12 ARG 7 2HH1 ARG 7 -0.910 9.055 10.959
65 HH21 ARG 7 1HH2 ARG 7 -2.195 12.278 11.392
66 HH22 ARG 7 2HH2 ARG 7 -1.079 11.096 11.986
67 H LYS 8 H LYS 8 -3.693 9.458 3.509
68 HA LYS 8 HA LYS 8 -6.392 9.007 2.653
69 HB2 LYS 8 2HB LYS 8 -3.979 10.344 1.537
70 HB3 LYS 8 3HB LYS 8 -5.221 9.835 0.400
71 HG2 LYS 8 2HG LYS 8 -5.685 12.081 0.951
72 HG3 LYS 8 3HG LYS 8 -6.877 11.100 1.807
73 HD2 LYS 8 2HD LYS 8 -5.377 11.219 3.821
74 HD3 LYS 8 3HD LYS 8 -4.407 12.403 2.940
75 HE2 LYS 8 2HE LYS 8 -7.360 12.709 3.449
76 HE3 LYS 8 3HE LYS 8 -6.117 13.364 4.512
77 HZ1 LYS 8 3HZ LYS 8 -5.301 14.722 2.729
78 HZ2 LYS 8 1HZ LYS 8 -6.964 14.990 2.893
79 HZ3 LYS 8 2HZ LYS 8 -6.383 14.026 1.630
80 H CYS 9 H CYS 9 -5.715 6.556 3.166
81 HA CYS 9 HA CYS 9 -4.278 4.955 1.516
82 HB2 CYS 9 2HB CYS 9 -6.174 3.240 1.859
83 HB3 CYS 9 3HB CYS 9 -5.367 3.876 3.287
84 HG CYS 9 HG CYS 9 -8.485 4.653 2.136
85 HA PRO 10 HA PRO 10 -6.223 6.061 -2.410
86 HB2 PRO 10 2HB PRO 10 -4.215 5.051 -3.933
87 HB3 PRO 10 3HB PRO 10 -4.132 6.642 -3.166
88 HG2 PRO 10 2HG PRO 10 -2.944 4.044 -2.272
89 HG3 PRO 10 3HG PRO 10 -2.220 5.663 -2.276
90 HD2 PRO 10 2HD PRO 10 -3.248 4.533 -0.040
91 HD3 PRO 10 3HD PRO 10 -3.290 6.283 -0.331
92 H LEU 11 H LEU 11 -4.734 2.953 -1.577
93 HA LEU 11 HA LEU 11 -6.844 1.615 -3.139
94 HB2 LEU 11 2HB LEU 11 -4.859 1.207 -4.325
95 HB3 LEU 11 3HB LEU 11 -3.934 0.943 -2.848
96 HG LEU 11 HG LEU 11 -6.135 -0.952 -3.524
97 HD11 LEU 11 1HD1 LEU 11 -4.232 -2.277 -4.701
98 HD12 LEU 11 2HD1 LEU 11 -3.538 -0.679 -4.971
99 HD13 LEU 11 3HD1 LEU 11 -5.141 -1.062 -5.599
100 HD21 LEU 11 3HD2 LEU 11 -5.154 -2.258 -1.989
101 HD22 LEU 11 1HD2 LEU 11 -4.347 -0.776 -1.477
102 HD23 LEU 11 2HD2 LEU 11 -3.529 -1.891 -2.571
103 H PHE 12 H PHE 12 -4.824 1.598 -0.268
104 HA PHE 12 HA PHE 12 -5.343 -0.732 0.974
105 HB2 PHE 12 2HB PHE 12 -4.420 1.720 1.802
106 HB3 PHE 12 3HB PHE 12 -5.880 1.528 2.767
107 HD1 PHE 12 HD1 PHE 12 -5.684 -1.551 2.884
108 HD2 PHE 12 HD2 PHE 12 -2.899 1.579 3.635
109 HE1 PHE 12 HE1 PHE 12 -4.462 -3.016 4.439
110 HE2 PHE 12 HE2 PHE 12 -1.673 0.119 5.190
111 HZ PHE 12 HZ PHE 12 -2.453 -2.182 5.593
112 H GLY 13 H GLY 13 -7.535 2.079 1.209
113 HA2 GLY 13 2HA GLY 13 -9.726 0.166 1.737
114 HA3 GLY 13 3HA GLY 13 -9.622 1.739 2.514
115 H LYS 14 H LYS 14 -8.937 1.069 -0.875
116 HA LYS 14 HA LYS 14 -10.181 3.183 -2.006
117 HB2 LYS 14 2HB LYS 14 -9.050 0.875 -2.965
118 HB3 LYS 14 3HB LYS 14 -10.718 0.709 -3.496
119 HG2 LYS 14 2HG LYS 14 -10.618 2.629 -4.813
120 HG3 LYS 14 3HG LYS 14 -9.178 3.231 -3.988
121 HD2 LYS 14 2HD LYS 14 -7.852 1.435 -4.963
122 HD3 LYS 14 3HD LYS 14 -9.290 0.783 -5.751
123 HE2 LYS 14 2HE LYS 14 -8.260 2.005 -7.440
124 HE3 LYS 14 3HE LYS 14 -9.490 3.112 -6.831
125 HZ1 LYS 14 3HZ LYS 14 -7.665 4.037 -5.373
126 HZ2 LYS 14 1HZ LYS 14 -7.541 4.371 -7.027
127 HZ3 LYS 14 2HZ LYS 14 -6.574 3.171 -6.332
128 H GLY 15 H GLY 15 -11.756 0.104 -1.183
129 HA2 GLY 15 2HA GLY 15 -14.362 1.292 -1.820
130 HA3 GLY 15 3HA GLY 15 -14.047 -0.415 -1.546
131 H GLY 16 H GLY 16 -12.550 -0.064 0.885
132 HA2 GLY 16 2HA GLY 16 -14.819 0.451 2.672
133 HA3 GLY 16 3HA GLY 16 -13.381 -0.476 3.072
Start of MODEL 3
1 H1 VAL 1 H VAL 1 1.741 -1.202 1.649
2 HA VAL 1 HA VAL 1 2.838 -1.895 -0.246
3 HB VAL 1 HB VAL 1 0.977 -0.064 -1.768
4 HG11 VAL 1 1HG1 VAL 1 2.033 -2.289 -3.250
5 HG12 VAL 1 2HG1 VAL 1 2.125 -0.563 -3.604
6 HG13 VAL 1 3HG1 VAL 1 3.344 -1.320 -2.579
7 HG21 VAL 1 3HG2 VAL 1 -0.366 -1.970 -2.240
8 HG22 VAL 1 1HG2 VAL 1 0.807 -3.058 -1.498
9 HG23 VAL 1 2HG2 VAL 1 -0.116 -1.940 -0.494
10 H ALA 2 H ALA 2 1.993 1.560 -0.271
11 HA ALA 2 HA ALA 2 4.834 2.154 -0.788
12 HB1 ALA 2 1HB ALA 2 3.518 2.761 -2.717
13 HB2 ALA 2 2HB ALA 2 2.411 3.694 -1.709
14 HB3 ALA 2 3HB ALA 2 4.082 4.223 -1.907
15 H ARG 3 H ARG 3 3.018 4.920 -0.359
16 HA ARG 3 HA ARG 3 3.685 5.039 2.509
17 HB2 ARG 3 2HB ARG 3 4.118 7.467 2.177
18 HB3 ARG 3 3HB ARG 3 5.243 6.431 1.308
19 HG2 ARG 3 2HG ARG 3 4.805 7.746 -0.438
20 HG3 ARG 3 3HG ARG 3 3.297 6.837 -0.559
21 HD2 ARG 3 2HD ARG 3 2.465 8.611 1.190
22 HD3 ARG 3 3HD ARG 3 3.794 9.566 0.533
23 HE ARG 3 HE ARG 3 1.310 8.933 -0.761
24 HH11 ARG 3 1HH1 ARG 3 4.648 9.795 -1.247
25 HH12 ARG 3 2HH1 ARG 3 4.379 10.476 -2.818
26 HH21 ARG 3 1HH2 ARG 3 0.943 9.827 -2.827
27 HH22 ARG 3 2HH2 ARG 3 2.271 10.495 -3.715
28 H GLY 4 H GLY 4 1.440 5.867 -0.041
29 HA2 GLY 4 2HA GLY 4 -0.307 7.462 1.543
30 HA3 GLY 4 3HA GLY 4 -0.700 6.711 0.003
31 H TRP 5 H TRP 5 0.353 4.190 1.682
32 HA TRP 5 HA TRP 5 -2.301 3.246 2.243
33 HB2 TRP 5 2HB TRP 5 0.448 2.067 2.352
34 HB3 TRP 5 3HB TRP 5 -0.869 1.248 3.186
35 HD1 TRP 5 HD1 TRP 5 -2.124 -0.463 1.762
36 HE1 TRP 5 HE1 TRP 5 -2.437 -0.897 -0.756
37 HE3 TRP 5 HE3 TRP 5 0.380 3.597 -0.079
38 HZ2 TRP 5 HZ2 TRP 5 -1.717 0.320 -3.199
39 HZ3 TRP 5 HZ3 TRP 5 0.523 3.888 -2.518
40 HH2 TRP 5 HH2 TRP 5 -0.504 2.282 -4.044
41 H LYS 6 H LYS 6 -1.571 5.502 3.815
42 HA LYS 6 HA LYS 6 -1.602 4.296 6.503
43 HB2 LYS 6 2HB LYS 6 -0.088 6.629 5.438
44 HB3 LYS 6 3HB LYS 6 -0.691 6.730 7.087
45 HG2 LYS 6 2HG LYS 6 1.277 5.777 7.586
46 HG3 LYS 6 3HG LYS 6 0.442 4.287 7.144
47 HD2 LYS 6 2HD LYS 6 1.305 4.523 4.843
48 HD3 LYS 6 3HD LYS 6 2.191 5.965 5.345
49 HE2 LYS 6 2HE LYS 6 3.882 4.650 5.935
50 HE3 LYS 6 3HE LYS 6 2.857 3.972 7.199
51 HZ1 LYS 6 3HZ LYS 6 3.067 2.051 6.133
52 HZ2 LYS 6 1HZ LYS 6 3.767 2.777 4.774
53 HZ3 LYS 6 2HZ LYS 6 2.083 2.685 4.912
54 H ARG 7 H ARG 7 -2.079 7.649 5.481
55 HA ARG 7 HA ARG 7 -4.584 7.725 6.946
56 HB2 ARG 7 2HB ARG 7 -2.780 9.772 5.715
57 HB3 ARG 7 3HB ARG 7 -4.447 10.200 6.074
58 HG2 ARG 7 2HG ARG 7 -3.986 10.473 8.223
59 HG3 ARG 7 3HG ARG 7 -3.232 8.881 8.324
60 HD2 ARG 7 2HD ARG 7 -1.189 9.926 7.264
61 HD3 ARG 7 3HD ARG 7 -1.959 11.489 7.529
62 HE ARG 7 HE ARG 7 -1.899 10.003 9.933
63 HH11 ARG 7 1HH1 ARG 7 0.156 11.806 7.778
64 HH12 ARG 7 2HH1 ARG 7 1.283 12.252 9.016
65 HH21 ARG 7 1HH2 ARG 7 -0.422 10.583 11.572
66 HH22 ARG 7 2HH2 ARG 7 0.954 11.556 11.173
67 H LYS 8 H LYS 8 -3.826 9.310 3.868
68 HA LYS 8 HA LYS 8 -6.492 8.876 2.906
69 HB2 LYS 8 2HB LYS 8 -4.152 9.859 1.280
70 HB3 LYS 8 3HB LYS 8 -5.862 10.179 1.020
71 HG2 LYS 8 2HG LYS 8 -4.357 11.132 3.442
72 HG3 LYS 8 3HG LYS 8 -4.528 12.082 1.964
73 HD2 LYS 8 2HD LYS 8 -6.973 10.950 3.243
74 HD3 LYS 8 3HD LYS 8 -6.213 12.371 3.964
75 HE2 LYS 8 2HE LYS 8 -6.924 13.718 2.323
76 HE3 LYS 8 3HE LYS 8 -6.500 12.556 1.067
77 HZ1 LYS 8 3HZ LYS 8 -8.892 13.010 1.167
78 HZ2 LYS 8 1HZ LYS 8 -8.942 12.417 2.750
79 HZ3 LYS 8 2HZ LYS 8 -8.547 11.382 1.473
80 H CYS 9 H CYS 9 -5.738 6.408 3.366
81 HA CYS 9 HA CYS 9 -4.258 4.898 1.679
82 HB2 CYS 9 2HB CYS 9 -6.138 3.139 1.922
83 HB3 CYS 9 3HB CYS 9 -5.350 3.724 3.382
84 HG CYS 9 HG CYS 9 -8.530 4.117 2.361
85 HA PRO 10 HA PRO 10 -6.165 6.118 -2.234
86 HB2 PRO 10 2HB PRO 10 -4.106 5.223 -3.760
87 HB3 PRO 10 3HB PRO 10 -4.079 6.783 -2.929
88 HG2 PRO 10 2HG PRO 10 -2.836 4.183 -2.118
89 HG3 PRO 10 3HG PRO 10 -2.156 5.820 -2.045
90 HD2 PRO 10 2HD PRO 10 -3.190 4.574 0.125
91 HD3 PRO 10 3HD PRO 10 -3.274 6.333 -0.096
92 H LEU 11 H LEU 11 -4.619 3.018 -1.484
93 HA LEU 11 HA LEU 11 -6.655 1.690 -3.150
94 HB2 LEU 11 2HB LEU 11 -4.616 1.384 -4.286
95 HB3 LEU 11 3HB LEU 11 -3.742 1.056 -2.791
96 HG LEU 11 HG LEU 11 -5.891 -0.827 -3.645
97 HD11 LEU 11 1HD1 LEU 11 -4.823 -0.848 -5.678
98 HD12 LEU 11 2HD1 LEU 11 -3.901 -2.065 -4.797
99 HD13 LEU 11 3HD1 LEU 11 -3.255 -0.435 -4.984
100 HD21 LEU 11 3HD2 LEU 11 -4.961 -2.190 -2.130
101 HD22 LEU 11 1HD2 LEU 11 -4.176 -0.731 -1.525
102 HD23 LEU 11 2HD2 LEU 11 -3.318 -1.795 -2.640
103 H PHE 12 H PHE 12 -4.712 1.612 -0.227
104 HA PHE 12 HA PHE 12 -5.217 -0.774 0.913
105 HB2 PHE 12 2HB PHE 12 -4.360 1.663 1.853
106 HB3 PHE 12 3HB PHE 12 -5.836 1.403 2.778
107 HD1 PHE 12 HD2 PHE 12 -5.581 -1.671 2.785
108 HD2 PHE 12 HD1 PHE 12 -2.871 1.479 3.705
109 HE1 PHE 12 HE2 PHE 12 -4.362 -3.170 4.308
110 HE2 PHE 12 HE1 PHE 12 -1.646 -0.016 5.229
111 HZ PHE 12 HZ PHE 12 -2.392 -2.343 5.533
112 H GLY 13 H GLY 13 -7.463 1.989 1.190
113 HA2 GLY 13 2HA GLY 13 -9.632 0.023 1.601
114 HA3 GLY 13 3HA GLY 13 -9.575 1.570 2.431
115 H LYS 14 H LYS 14 -8.795 1.027 -0.960
116 HA LYS 14 HA LYS 14 -10.053 3.155 -2.049
117 HB2 LYS 14 2HB LYS 14 -8.841 0.918 -3.060
118 HB3 LYS 14 3HB LYS 14 -10.492 0.715 -3.631
119 HG2 LYS 14 2HG LYS 14 -10.429 2.696 -4.871
120 HG3 LYS 14 3HG LYS 14 -9.003 3.289 -4.016
121 HD2 LYS 14 2HD LYS 14 -7.791 1.267 -5.005
122 HD3 LYS 14 3HD LYS 14 -9.183 1.110 -6.079
123 HE2 LYS 14 2HE LYS 14 -8.279 3.836 -6.018
124 HE3 LYS 14 3HE LYS 14 -6.934 2.762 -6.402
125 HZ1 LYS 14 3HZ LYS 14 -8.563 1.731 -8.066
126 HZ2 LYS 14 1HZ LYS 14 -7.871 3.225 -8.452
127 HZ3 LYS 14 2HZ LYS 14 -9.459 3.153 -7.876
128 H GLY 15 H GLY 15 -11.582 0.017 -1.374
129 HA2 GLY 15 2HA GLY 15 -14.141 0.745 -2.360
130 HA3 GLY 15 3HA GLY 15 -13.793 -0.603 -1.286
131 H GLY 16 H GLY 16 -13.777 -0.242 0.992
132 HA2 GLY 16 2HA GLY 16 -14.090 1.228 2.880
133 HA3 GLY 16 3HA GLY 16 -15.022 2.293 1.837
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.549 0.124 0.712
2 HA VAL 1 HA VAL 1 2.528 -1.627 -1.208
3 HB VAL 1 HB VAL 1 0.605 0.370 -2.409
4 HG11 VAL 1 1HG1 VAL 1 2.908 -0.788 -3.486
5 HG12 VAL 1 2HG1 VAL 1 1.559 -1.693 -4.176
6 HG13 VAL 1 3HG1 VAL 1 1.630 0.060 -4.357
7 HG21 VAL 1 3HG2 VAL 1 -0.781 -1.470 -3.019
8 HG22 VAL 1 1HG2 VAL 1 0.413 -2.635 -2.446
9 HG23 VAL 1 2HG2 VAL 1 -0.450 -1.616 -1.293
10 H ALA 2 H ALA 2 1.696 1.816 -0.847
11 HA ALA 2 HA ALA 2 4.520 2.456 -1.407
12 HB1 ALA 2 1HB ALA 2 3.138 3.245 -3.221
13 HB2 ALA 2 2HB ALA 2 2.070 4.076 -2.089
14 HB3 ALA 2 3HB ALA 2 3.734 4.623 -2.295
15 H ARG 3 H ARG 3 2.717 5.163 -0.648
16 HA ARG 3 HA ARG 3 3.501 5.013 2.189
17 HB2 ARG 3 2HB ARG 3 3.949 7.441 2.092
18 HB3 ARG 3 3HB ARG 3 4.996 6.522 1.019
19 HG2 ARG 3 2HG ARG 3 3.204 7.090 -0.778
20 HG3 ARG 3 3HG ARG 3 2.756 8.371 0.350
21 HD2 ARG 3 2HD ARG 3 5.308 8.881 0.359
22 HD3 ARG 3 3HD ARG 3 5.310 7.973 -1.152
23 HE ARG 3 HE ARG 3 3.308 9.772 -1.490
24 HH11 ARG 3 1HH1 ARG 3 6.660 10.028 -0.587
25 HH12 ARG 3 2HH1 ARG 3 6.862 11.603 -1.282
26 HH21 ARG 3 1HH2 ARG 3 3.561 11.844 -2.408
27 HH22 ARG 3 2HH2 ARG 3 5.098 12.635 -2.316
28 H GLY 4 H GLY 4 1.158 6.092 -0.177
29 HA2 GLY 4 2HA GLY 4 -0.528 7.508 1.620
30 HA3 GLY 4 3HA GLY 4 -0.984 6.903 0.034
31 H TRP 5 H TRP 5 0.129 4.232 1.390
32 HA TRP 5 HA TRP 5 -2.498 3.241 1.996
33 HB2 TRP 5 2HB TRP 5 0.243 2.045 1.835
34 HB3 TRP 5 3HB TRP 5 -1.046 1.146 2.632
35 HD1 TRP 5 HD1 TRP 5 -2.409 -0.369 1.088
36 HE1 TRP 5 HE1 TRP 5 -2.831 -0.522 -1.447
37 HE3 TRP 5 HE3 TRP 5 0.120 3.814 -0.410
38 HZ2 TRP 5 HZ2 TRP 5 -2.177 0.937 -3.773
39 HZ3 TRP 5 HZ3 TRP 5 0.174 4.364 -2.807
40 HH2 TRP 5 HH2 TRP 5 -0.950 2.954 -4.453
41 H LYS 6 H LYS 6 -1.736 5.305 3.755
42 HA LYS 6 HA LYS 6 -1.570 3.824 6.297
43 HB2 LYS 6 2HB LYS 6 -0.097 6.206 5.357
44 HB3 LYS 6 3HB LYS 6 -0.712 6.298 7.002
45 HG2 LYS 6 2HG LYS 6 0.978 5.069 7.721
46 HG3 LYS 6 3HG LYS 6 0.504 3.754 6.643
47 HD2 LYS 6 2HD LYS 6 2.085 4.268 5.113
48 HD3 LYS 6 3HD LYS 6 1.905 6.006 5.360
49 HE2 LYS 6 2HE LYS 6 3.315 4.129 7.253
50 HE3 LYS 6 3HE LYS 6 4.120 5.137 6.052
51 HZ1 LYS 6 3HZ LYS 6 4.096 6.805 7.484
52 HZ2 LYS 6 1HZ LYS 6 3.334 5.833 8.641
53 HZ3 LYS 6 2HZ LYS 6 2.407 6.754 7.568
54 H ARG 7 H ARG 7 -2.190 7.247 5.642
55 HA ARG 7 HA ARG 7 -4.625 7.077 7.230
56 HB2 ARG 7 2HB ARG 7 -2.770 9.223 6.400
57 HB3 ARG 7 3HB ARG 7 -4.462 9.687 6.522
58 HG2 ARG 7 2HG ARG 7 -4.211 9.919 8.705
59 HG3 ARG 7 3HG ARG 7 -3.869 8.192 8.831
60 HD2 ARG 7 2HD ARG 7 -1.936 8.989 9.719
61 HD3 ARG 7 3HD ARG 7 -1.474 9.008 8.018
62 HE ARG 7 HE ARG 7 -1.362 11.283 8.126
63 HH11 ARG 7 1HH1 ARG 7 -3.279 10.130 10.794
64 HH12 ARG 7 2HH1 ARG 7 -3.426 11.691 11.533
65 HH21 ARG 7 1HH2 ARG 7 -1.548 13.343 9.089
66 HH22 ARG 7 2HH2 ARG 7 -2.442 13.518 10.561
67 H LYS 8 H LYS 8 -3.937 9.012 4.330
68 HA LYS 8 HA LYS 8 -6.646 8.753 3.424
69 HB2 LYS 8 2HB LYS 8 -5.945 10.147 1.553
70 HB3 LYS 8 3HB LYS 8 -5.352 10.816 3.069
71 HG2 LYS 8 2HG LYS 8 -3.546 8.994 1.588
72 HG3 LYS 8 3HG LYS 8 -3.828 10.599 0.910
73 HD2 LYS 8 2HD LYS 8 -3.379 11.287 3.454
74 HD3 LYS 8 3HD LYS 8 -2.431 9.799 3.398
75 HE2 LYS 8 2HE LYS 8 -0.794 11.058 2.548
76 HE3 LYS 8 3HE LYS 8 -1.735 11.064 1.058
77 HZ1 LYS 8 3HZ LYS 8 -1.613 13.141 3.158
78 HZ2 LYS 8 1HZ LYS 8 -2.886 13.084 2.045
79 HZ3 LYS 8 2HZ LYS 8 -1.298 13.296 1.503
80 H CYS 9 H CYS 9 -5.767 6.222 3.625
81 HA CYS 9 HA CYS 9 -4.444 4.901 1.693
82 HB2 CYS 9 2HB CYS 9 -6.339 3.132 1.869
83 HB3 CYS 9 3HB CYS 9 -5.412 3.532 3.310
84 HG CYS 9 HG CYS 9 -8.662 3.846 2.736
85 HA PRO 10 HA PRO 10 -6.614 6.521 -1.933
86 HB2 PRO 10 2HB PRO 10 -4.642 5.851 -3.673
87 HB3 PRO 10 3HB PRO 10 -4.589 7.309 -2.677
88 HG2 PRO 10 2HG PRO 10 -3.251 4.667 -2.239
89 HG3 PRO 10 3HG PRO 10 -2.597 6.301 -2.026
90 HD2 PRO 10 2HD PRO 10 -3.469 4.798 0.051
91 HD3 PRO 10 3HD PRO 10 -3.597 6.569 0.033
92 H LEU 11 H LEU 11 -5.001 3.389 -1.591
93 HA LEU 11 HA LEU 11 -7.088 2.212 -3.306
94 HB2 LEU 11 2HB LEU 11 -5.048 2.079 -4.512
95 HB3 LEU 11 3HB LEU 11 -4.168 1.524 -3.089
96 HG LEU 11 HG LEU 11 -6.369 -0.172 -4.173
97 HD11 LEU 11 1HD1 LEU 11 -4.389 -1.270 -5.501
98 HD12 LEU 11 2HD1 LEU 11 -3.758 0.376 -5.492
99 HD13 LEU 11 3HD1 LEU 11 -5.337 0.040 -6.204
100 HD21 LEU 11 3HD2 LEU 11 -5.461 -1.749 -2.871
101 HD22 LEU 11 1HD2 LEU 11 -4.621 -0.412 -2.087
102 HD23 LEU 11 2HD2 LEU 11 -3.815 -1.337 -3.355
103 H PHE 12 H PHE 12 -5.030 1.850 -0.482
104 HA PHE 12 HA PHE 12 -5.495 -0.645 0.424
105 HB2 PHE 12 2HB PHE 12 -4.592 1.691 1.573
106 HB3 PHE 12 3HB PHE 12 -6.015 1.315 2.538
107 HD1 PHE 12 HD1 PHE 12 -5.755 -1.736 2.205
108 HD2 PHE 12 HD2 PHE 12 -2.998 1.316 3.302
109 HE1 PHE 12 HE1 PHE 12 -4.450 -3.381 3.488
110 HE2 PHE 12 HE2 PHE 12 -1.688 -0.324 4.586
111 HZ PHE 12 HZ PHE 12 -2.413 -2.676 4.680
112 H GLY 13 H GLY 13 -7.709 2.080 1.076
113 HA2 GLY 13 2HA GLY 13 -9.869 0.086 1.388
114 HA3 GLY 13 3HA GLY 13 -9.766 1.544 2.364
115 H LYS 14 H LYS 14 -9.136 1.346 -1.094
116 HA LYS 14 HA LYS 14 -10.449 3.574 -1.895
117 HB2 LYS 14 2HB LYS 14 -10.794 2.438 -4.103
118 HB3 LYS 14 3HB LYS 14 -9.156 2.324 -3.474
119 HG2 LYS 14 2HG LYS 14 -9.706 0.050 -2.630
120 HG3 LYS 14 3HG LYS 14 -11.266 0.177 -3.447
121 HD2 LYS 14 2HD LYS 14 -9.552 0.854 -5.449
122 HD3 LYS 14 3HD LYS 14 -8.588 -0.318 -4.548
123 HE2 LYS 14 2HE LYS 14 -11.022 -1.546 -4.642
124 HE3 LYS 14 3HE LYS 14 -10.984 -0.706 -6.191
125 HZ1 LYS 14 3HZ LYS 14 -8.492 -1.906 -5.793
126 HZ2 LYS 14 1HZ LYS 14 -9.656 -2.278 -6.963
127 HZ3 LYS 14 2HZ LYS 14 -9.674 -3.073 -5.470
128 H GLY 15 H GLY 15 -11.902 0.411 -1.291
129 HA2 GLY 15 2HA GLY 15 -14.481 0.989 -2.260
130 HA3 GLY 15 3HA GLY 15 -14.091 -0.242 -1.067
131 H GLY 16 H GLY 16 -13.924 0.431 1.187
132 HA2 GLY 16 2HA GLY 16 -14.365 2.726 2.442
133 HA3 GLY 16 3HA GLY 16 -15.966 2.429 1.782
Start of MODEL 5
1 H1 VAL 1 H VAL 1 1.679 -0.050 1.364
2 HA VAL 1 HA VAL 1 2.505 -1.494 -0.593
3 HB VAL 1 HB VAL 1 0.613 0.394 -2.002
4 HG11 VAL 1 1HG1 VAL 1 1.774 0.034 -3.859
5 HG12 VAL 1 2HG1 VAL 1 2.980 -0.835 -2.908
6 HG13 VAL 1 3HG1 VAL 1 1.637 -1.711 -3.643
7 HG21 VAL 1 3HG2 VAL 1 -0.398 -1.591 -0.793
8 HG22 VAL 1 1HG2 VAL 1 -0.736 -1.473 -2.520
9 HG23 VAL 1 2HG2 VAL 1 0.478 -2.610 -1.934
10 H ALA 2 H ALA 2 1.674 1.966 -0.505
11 HA ALA 2 HA ALA 2 4.515 2.563 -1.020
12 HB1 ALA 2 1HB ALA 2 2.093 4.137 -1.884
13 HB2 ALA 2 2HB ALA 2 3.765 4.665 -2.078
14 HB3 ALA 2 3HB ALA 2 3.190 3.228 -2.925
15 H ARG 3 H ARG 3 2.703 5.319 -0.503
16 HA ARG 3 HA ARG 3 3.395 5.360 2.361
17 HB2 ARG 3 2HB ARG 3 3.846 7.781 2.107
18 HB3 ARG 3 3HB ARG 3 4.937 6.782 1.155
19 HG2 ARG 3 2HG ARG 3 3.046 7.242 -0.685
20 HG3 ARG 3 3HG ARG 3 2.880 8.706 0.286
21 HD2 ARG 3 2HD ARG 3 5.653 8.175 -0.120
22 HD3 ARG 3 3HD ARG 3 4.828 8.109 -1.677
23 HE ARG 3 HE ARG 3 4.147 10.402 -0.070
24 HH11 ARG 3 1HH1 ARG 3 6.325 9.092 -2.449
25 HH12 ARG 3 2HH1 ARG 3 6.793 10.642 -3.065
26 HH21 ARG 3 1HH2 ARG 3 4.754 12.449 -0.873
27 HH22 ARG 3 2HH2 ARG 3 5.899 12.551 -2.168
28 H GLY 4 H GLY 4 1.133 6.276 -0.147
29 HA2 GLY 4 2HA GLY 4 -0.602 7.820 1.492
30 HA3 GLY 4 3HA GLY 4 -1.010 7.107 -0.061
31 H TRP 5 H TRP 5 0.047 4.534 1.513
32 HA TRP 5 HA TRP 5 -2.603 3.594 2.101
33 HB2 TRP 5 2HB TRP 5 0.136 2.383 2.112
34 HB3 TRP 5 3HB TRP 5 -1.181 1.546 2.929
35 HD1 TRP 5 HD1 TRP 5 -2.501 -0.071 1.452
36 HE1 TRP 5 HE1 TRP 5 -2.843 -0.400 -1.077
37 HE3 TRP 5 HE3 TRP 5 0.091 3.992 -0.253
38 HZ2 TRP 5 HZ2 TRP 5 -2.111 0.891 -3.478
39 HZ3 TRP 5 HZ3 TRP 5 0.223 4.373 -2.681
40 HH2 TRP 5 HH2 TRP 5 -0.855 2.853 -4.258
41 H LYS 6 H LYS 6 -1.888 5.775 3.736
42 HA LYS 6 HA LYS 6 -1.810 4.474 6.379
43 HB2 LYS 6 2HB LYS 6 -0.330 6.824 5.336
44 HB3 LYS 6 3HB LYS 6 -0.949 6.953 6.977
45 HG2 LYS 6 2HG LYS 6 0.960 5.969 7.571
46 HG3 LYS 6 3HG LYS 6 0.203 4.479 7.002
47 HD2 LYS 6 2HD LYS 6 1.159 5.013 4.724
48 HD3 LYS 6 3HD LYS 6 2.099 6.283 5.511
49 HE2 LYS 6 2HE LYS 6 3.398 4.778 6.682
50 HE3 LYS 6 3HE LYS 6 2.182 3.505 6.599
51 HZ1 LYS 6 3HZ LYS 6 3.309 2.681 4.896
52 HZ2 LYS 6 1HZ LYS 6 4.353 4.011 4.853
53 HZ3 LYS 6 2HZ LYS 6 2.900 4.049 3.990
54 H ARG 7 H ARG 7 -2.392 7.845 5.468
55 HA ARG 7 HA ARG 7 -4.876 7.793 6.985
56 HB2 ARG 7 2HB ARG 7 -2.920 9.814 6.217
57 HB3 ARG 7 3HB ARG 7 -4.575 10.352 5.961
58 HG2 ARG 7 2HG ARG 7 -4.088 11.047 8.122
59 HG3 ARG 7 3HG ARG 7 -5.000 9.555 8.358
60 HD2 ARG 7 2HD ARG 7 -3.155 8.377 9.052
61 HD3 ARG 7 3HD ARG 7 -2.033 9.405 8.162
62 HE ARG 7 HE ARG 7 -3.268 10.884 10.225
63 HH11 ARG 7 1HH1 ARG 7 -0.902 8.383 9.710
64 HH12 ARG 7 2HH1 ARG 7 0.000 8.760 11.141
65 HH21 ARG 7 1HH2 ARG 7 -2.090 11.391 12.111
66 HH22 ARG 7 2HH2 ARG 7 -0.677 10.471 12.506
67 H LYS 8 H LYS 8 -4.088 9.519 3.980
68 HA LYS 8 HA LYS 8 -6.768 9.203 3.008
69 HB2 LYS 8 2HB LYS 8 -6.002 10.461 1.068
70 HB3 LYS 8 3HB LYS 8 -5.455 11.233 2.551
71 HG2 LYS 8 2HG LYS 8 -3.611 9.308 1.261
72 HG3 LYS 8 3HG LYS 8 -3.863 10.862 0.462
73 HD2 LYS 8 2HD LYS 8 -3.493 11.726 2.966
74 HD3 LYS 8 3HD LYS 8 -2.550 10.236 3.044
75 HE2 LYS 8 2HE LYS 8 -0.991 11.818 2.361
76 HE3 LYS 8 3HE LYS 8 -1.481 11.057 0.849
77 HZ1 LYS 8 3HZ LYS 8 -2.148 13.011 0.089
78 HZ2 LYS 8 1HZ LYS 8 -1.581 13.754 1.500
79 HZ3 LYS 8 2HZ LYS 8 -3.186 13.229 1.407
80 H CYS 9 H CYS 9 -5.909 6.691 3.414
81 HA CYS 9 HA CYS 9 -4.531 5.235 1.621
82 HB2 CYS 9 2HB CYS 9 -6.438 3.486 1.861
83 HB3 CYS 9 3HB CYS 9 -5.556 3.985 3.299
84 HG CYS 9 HG CYS 9 -8.084 3.839 4.219
85 HA PRO 10 HA PRO 10 -6.578 6.601 -2.176
86 HB2 PRO 10 2HB PRO 10 -4.554 5.805 -3.802
87 HB3 PRO 10 3HB PRO 10 -4.526 7.330 -2.908
88 HG2 PRO 10 2HG PRO 10 -3.216 4.722 -2.245
89 HG3 PRO 10 3HG PRO 10 -2.560 6.365 -2.126
90 HD2 PRO 10 2HD PRO 10 -3.504 5.014 0.022
91 HD3 PRO 10 3HD PRO 10 -3.624 6.779 -0.123
92 H LEU 11 H LEU 11 -4.991 3.497 -1.564
93 HA LEU 11 HA LEU 11 -7.029 2.208 -3.258
94 HB2 LEU 11 2HB LEU 11 -4.953 1.985 -4.387
95 HB3 LEU 11 3HB LEU 11 -4.121 1.530 -2.902
96 HG LEU 11 HG LEU 11 -6.294 -0.234 -3.932
97 HD11 LEU 11 1HD1 LEU 11 -3.641 0.215 -5.204
98 HD12 LEU 11 2HD1 LEU 11 -5.197 -0.171 -5.938
99 HD13 LEU 11 3HD1 LEU 11 -4.276 -1.428 -5.114
100 HD21 LEU 11 3HD2 LEU 11 -3.775 -1.346 -2.953
101 HD22 LEU 11 1HD2 LEU 11 -5.437 -1.715 -2.492
102 HD23 LEU 11 2HD2 LEU 11 -4.612 -0.328 -1.779
103 H PHE 12 H PHE 12 -5.062 2.040 -0.352
104 HA PHE 12 HA PHE 12 -5.569 -0.385 0.711
105 HB2 PHE 12 2HB PHE 12 -4.689 2.023 1.722
106 HB3 PHE 12 3HB PHE 12 -6.144 1.720 2.666
107 HD1 PHE 12 HD2 PHE 12 -5.887 -1.348 2.553
108 HD2 PHE 12 HD1 PHE 12 -3.152 1.766 3.523
109 HE1 PHE 12 HE2 PHE 12 -4.631 -2.903 3.988
110 HE2 PHE 12 HE1 PHE 12 -1.891 0.216 4.959
111 HZ PHE 12 HZ PHE 12 -2.631 -2.121 5.194
112 H GLY 13 H GLY 13 -7.788 2.387 1.098
113 HA2 GLY 13 2HA GLY 13 -9.967 0.426 1.483
114 HA3 GLY 13 3HA GLY 13 -9.887 1.950 2.356
115 H LYS 14 H LYS 14 -9.149 1.505 -1.058
116 HA LYS 14 HA LYS 14 -10.426 3.675 -2.056
117 HB2 LYS 14 2HB LYS 14 -10.735 2.349 -4.183
118 HB3 LYS 14 3HB LYS 14 -9.104 2.350 -3.523
119 HG2 LYS 14 2HG LYS 14 -9.591 0.138 -2.493
120 HG3 LYS 14 3HG LYS 14 -11.136 0.137 -3.347
121 HD2 LYS 14 2HD LYS 14 -9.352 0.721 -5.346
122 HD3 LYS 14 3HD LYS 14 -8.438 -0.403 -4.337
123 HE2 LYS 14 2HE LYS 14 -10.860 -1.631 -4.445
124 HE3 LYS 14 3HE LYS 14 -10.797 -0.860 -6.030
125 HZ1 LYS 14 3HZ LYS 14 -9.804 -2.908 -6.375
126 HZ2 LYS 14 1HZ LYS 14 -8.986 -2.893 -4.894
127 HZ3 LYS 14 2HZ LYS 14 -8.470 -1.891 -6.155
128 H GLY 15 H GLY 15 -11.912 0.565 -1.275
129 HA2 GLY 15 2HA GLY 15 -14.547 1.728 -1.909
130 HA3 GLY 15 3HA GLY 15 -14.194 0.007 -1.868
131 H GLY 16 H GLY 16 -13.892 -1.022 0.180
132 HA2 GLY 16 2HA GLY 16 -14.131 0.261 2.662
133 HA3 GLY 16 3HA GLY 16 -15.742 -0.203 2.136
Start of MODEL 6
1 H1 VAL 1 H VAL 1 1.327 -0.517 0.336
2 HA VAL 1 HA VAL 1 2.979 -0.447 -1.323
3 HB VAL 1 HB VAL 1 0.821 1.344 -2.448
4 HG11 VAL 1 1HG1 VAL 1 2.079 -0.548 -4.249
5 HG12 VAL 1 2HG1 VAL 1 1.835 1.190 -4.427
6 HG13 VAL 1 3HG1 VAL 1 3.242 0.581 -3.555
7 HG21 VAL 1 3HG2 VAL 1 0.990 -1.664 -2.568
8 HG22 VAL 1 1HG2 VAL 1 -0.026 -0.773 -1.435
9 HG23 VAL 1 2HG2 VAL 1 -0.313 -0.640 -3.170
10 H ALA 2 H ALA 2 1.690 2.816 -0.733
11 HA ALA 2 HA ALA 2 4.390 3.875 -1.265
12 HB1 ALA 2 1HB ALA 2 1.732 5.193 -1.804
13 HB2 ALA 2 2HB ALA 2 3.305 5.970 -1.990
14 HB3 ALA 2 3HB ALA 2 2.876 4.593 -3.005
15 H ARG 3 H ARG 3 2.273 6.262 -0.303
16 HA ARG 3 HA ARG 3 3.098 6.007 2.515
17 HB2 ARG 3 2HB ARG 3 2.873 8.538 0.876
18 HB3 ARG 3 3HB ARG 3 3.244 8.471 2.594
19 HG2 ARG 3 2HG ARG 3 5.364 8.582 1.869
20 HG3 ARG 3 3HG ARG 3 5.161 6.844 1.633
21 HD2 ARG 3 2HD ARG 3 4.169 7.780 -0.699
22 HD3 ARG 3 3HD ARG 3 5.371 9.020 -0.343
23 HE ARG 3 HE ARG 3 5.877 6.375 -1.234
24 HH11 ARG 3 1HH1 ARG 3 7.117 8.869 0.855
25 HH12 ARG 3 2HH1 ARG 3 8.760 8.329 0.740
26 HH21 ARG 3 1HH2 ARG 3 8.035 5.654 -1.392
27 HH22 ARG 3 2HH2 ARG 3 9.281 6.501 -0.539
28 H GLY 4 H GLY 4 0.612 6.921 0.234
29 HA2 GLY 4 2HA GLY 4 -1.217 7.995 2.135
30 HA3 GLY 4 3HA GLY 4 -1.608 7.462 0.507
31 H TRP 5 H TRP 5 -0.150 4.861 1.688
32 HA TRP 5 HA TRP 5 -2.622 3.488 2.171
33 HB2 TRP 5 2HB TRP 5 0.259 2.699 1.999
34 HB3 TRP 5 3HB TRP 5 -0.888 1.584 2.739
35 HD1 TRP 5 HD1 TRP 5 -1.970 -0.052 1.103
36 HE1 TRP 5 HE1 TRP 5 -2.373 -0.132 -1.438
37 HE3 TRP 5 HE3 TRP 5 -0.171 4.566 -0.149
38 HZ2 TRP 5 HZ2 TRP 5 -1.979 1.541 -3.677
39 HZ3 TRP 5 HZ3 TRP 5 -0.219 5.249 -2.513
40 HH2 TRP 5 HH2 TRP 5 -1.104 3.767 -4.238
41 H LYS 6 H LYS 6 -2.084 5.552 4.071
42 HA LYS 6 HA LYS 6 -1.855 3.935 6.525
43 HB2 LYS 6 2HB LYS 6 -0.627 6.542 5.800
44 HB3 LYS 6 3HB LYS 6 -1.207 6.367 7.451
45 HG2 LYS 6 2HG LYS 6 0.685 5.345 7.961
46 HG3 LYS 6 3HG LYS 6 0.232 4.027 6.878
47 HD2 LYS 6 2HD LYS 6 1.346 5.084 5.032
48 HD3 LYS 6 3HD LYS 6 1.653 6.535 5.989
49 HE2 LYS 6 2HE LYS 6 2.723 4.424 7.474
50 HE3 LYS 6 3HE LYS 6 3.181 4.095 5.803
51 HZ1 LYS 6 3HZ LYS 6 4.871 5.431 6.732
52 HZ2 LYS 6 1HZ LYS 6 3.765 6.527 7.393
53 HZ3 LYS 6 2HZ LYS 6 3.981 6.452 5.718
54 H ARG 7 H ARG 7 -2.745 7.330 6.083
55 HA ARG 7 HA ARG 7 -5.174 6.877 7.605
56 HB2 ARG 7 2HB ARG 7 -3.838 9.371 6.557
57 HB3 ARG 7 3HB ARG 7 -5.394 9.393 7.377
58 HG2 ARG 7 2HG ARG 7 -4.318 9.547 9.302
59 HG3 ARG 7 3HG ARG 7 -3.678 7.924 9.033
60 HD2 ARG 7 2HD ARG 7 -1.862 9.464 9.461
61 HD3 ARG 7 3HD ARG 7 -1.790 8.902 7.792
62 HE ARG 7 HE ARG 7 -3.239 11.322 7.944
63 HH11 ARG 7 1HH1 ARG 7 0.000 10.061 8.141
64 HH12 ARG 7 2HH1 ARG 7 0.744 11.527 7.593
65 HH21 ARG 7 1HH2 ARG 7 -2.272 13.257 7.221
66 HH22 ARG 7 2HH2 ARG 7 -0.549 13.345 7.071
67 H LYS 8 H LYS 8 -4.716 9.004 4.805
68 HA LYS 8 HA LYS 8 -7.365 8.458 3.858
69 HB2 LYS 8 2HB LYS 8 -6.685 9.937 1.949
70 HB3 LYS 8 3HB LYS 8 -6.510 10.670 3.539
71 HG2 LYS 8 2HG LYS 8 -4.456 11.222 2.905
72 HG3 LYS 8 3HG LYS 8 -4.048 9.516 3.101
73 HD2 LYS 8 2HD LYS 8 -4.062 9.113 0.856
74 HD3 LYS 8 3HD LYS 8 -5.284 10.345 0.533
75 HE2 LYS 8 2HE LYS 8 -3.748 11.947 0.197
76 HE3 LYS 8 3HE LYS 8 -2.751 11.407 1.546
77 HZ1 LYS 8 3HZ LYS 8 -1.473 11.049 -0.364
78 HZ2 LYS 8 1HZ LYS 8 -2.768 10.394 -1.233
79 HZ3 LYS 8 2HZ LYS 8 -2.070 9.517 0.033
80 H CYS 9 H CYS 9 -6.348 6.034 3.918
81 HA CYS 9 HA CYS 9 -4.817 4.942 1.982
82 HB2 CYS 9 2HB CYS 9 -7.453 3.923 3.047
83 HB3 CYS 9 3HB CYS 9 -6.387 2.959 2.033
84 HG CYS 9 HG CYS 9 -6.392 2.806 5.117
85 HA PRO 10 HA PRO 10 -6.984 6.558 -1.645
86 HB2 PRO 10 2HB PRO 10 -4.905 6.132 -3.338
87 HB3 PRO 10 3HB PRO 10 -5.003 7.539 -2.272
88 HG2 PRO 10 2HG PRO 10 -3.475 4.990 -1.910
89 HG3 PRO 10 3HG PRO 10 -2.961 6.658 -1.594
90 HD2 PRO 10 2HD PRO 10 -3.781 4.988 0.374
91 HD3 PRO 10 3HD PRO 10 -4.050 6.742 0.436
92 H LEU 11 H LEU 11 -5.069 3.573 -1.478
93 HA LEU 11 HA LEU 11 -7.048 2.302 -3.252
94 HB2 LEU 11 2HB LEU 11 -5.083 2.396 -4.524
95 HB3 LEU 11 3HB LEU 11 -4.067 2.000 -3.139
96 HG LEU 11 HG LEU 11 -6.008 -0.038 -4.121
97 HD11 LEU 11 1HD1 LEU 11 -3.993 -0.827 -5.567
98 HD12 LEU 11 2HD1 LEU 11 -3.550 0.880 -5.545
99 HD13 LEU 11 3HD1 LEU 11 -5.110 0.383 -6.200
100 HD21 LEU 11 3HD2 LEU 11 -4.784 -1.444 -2.878
101 HD22 LEU 11 1HD2 LEU 11 -4.158 0.020 -2.118
102 HD23 LEU 11 2HD2 LEU 11 -3.256 -0.751 -3.423
103 H PHE 12 H PHE 12 -4.913 1.960 -0.481
104 HA PHE 12 HA PHE 12 -5.084 -0.608 0.273
105 HB2 PHE 12 2HB PHE 12 -4.485 1.740 1.578
106 HB3 PHE 12 3HB PHE 12 -5.858 1.135 2.498
107 HD1 PHE 12 HD1 PHE 12 -5.199 -1.838 1.948
108 HD2 PHE 12 HD2 PHE 12 -2.894 1.458 3.341
109 HE1 PHE 12 HE1 PHE 12 -3.713 -3.389 3.147
110 HE2 PHE 12 HE2 PHE 12 -1.404 -0.088 4.541
111 HZ PHE 12 HZ PHE 12 -1.811 -2.515 4.445
112 H GLY 13 H GLY 13 -7.607 1.753 1.180
113 HA2 GLY 13 2HA GLY 13 -9.515 -0.504 1.252
114 HA3 GLY 13 3HA GLY 13 -9.576 0.837 2.385
115 H LYS 14 H LYS 14 -8.980 1.059 -1.084
116 HA LYS 14 HA LYS 14 -10.521 3.207 -1.656
117 HB2 LYS 14 2HB LYS 14 -10.766 2.311 -3.954
118 HB3 LYS 14 3HB LYS 14 -9.125 2.170 -3.337
119 HG2 LYS 14 2HG LYS 14 -9.289 0.084 -4.148
120 HG3 LYS 14 3HG LYS 14 -10.102 -0.229 -2.612
121 HD2 LYS 14 2HD LYS 14 -11.841 -0.946 -3.809
122 HD3 LYS 14 3HD LYS 14 -12.112 0.738 -4.263
123 HE2 LYS 14 2HE LYS 14 -10.166 -0.955 -5.783
124 HE3 LYS 14 3HE LYS 14 -11.894 -1.063 -6.116
125 HZ1 LYS 14 3HZ LYS 14 -10.840 0.523 -7.582
126 HZ2 LYS 14 1HZ LYS 14 -10.241 1.400 -6.265
127 HZ3 LYS 14 2HZ LYS 14 -11.907 1.327 -6.545
128 H GLY 15 H GLY 15 -11.655 -0.126 -1.344
129 HA2 GLY 15 2HA GLY 15 -14.346 0.463 -2.117
130 HA3 GLY 15 3HA GLY 15 -13.784 -1.013 -1.345
131 H GLY 16 H GLY 16 -13.697 -1.122 0.939
132 HA2 GLY 16 2HA GLY 16 -15.443 0.874 2.236
133 HA3 GLY 16 3HA GLY 16 -15.323 -0.812 2.719
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.042 0.304 0.860
2 HA VAL 1 HA VAL 1 2.528 -1.783 -0.537
3 HB VAL 1 HB VAL 1 0.589 0.038 -1.972
4 HG11 VAL 1 1HG1 VAL 1 2.958 -1.188 -2.877
5 HG12 VAL 1 2HG1 VAL 1 1.615 -2.104 -3.564
6 HG13 VAL 1 3HG1 VAL 1 1.727 -0.365 -3.834
7 HG21 VAL 1 3HG2 VAL 1 -0.379 -1.921 -0.688
8 HG22 VAL 1 1HG2 VAL 1 -0.743 -1.863 -2.412
9 HG23 VAL 1 2HG2 VAL 1 0.494 -2.965 -1.808
10 H ALA 2 H ALA 2 1.656 1.666 -0.510
11 HA ALA 2 HA ALA 2 4.476 2.286 -1.109
12 HB1 ALA 2 1HB ALA 2 3.095 2.895 -2.993
13 HB2 ALA 2 2HB ALA 2 2.015 3.815 -1.944
14 HB3 ALA 2 3HB ALA 2 3.676 4.355 -2.192
15 H ARG 3 H ARG 3 2.654 5.034 -0.606
16 HA ARG 3 HA ARG 3 3.407 5.139 2.241
17 HB2 ARG 3 2HB ARG 3 3.770 7.596 1.887
18 HB3 ARG 3 3HB ARG 3 4.923 6.559 1.057
19 HG2 ARG 3 2HG ARG 3 3.605 6.837 -1.022
20 HG3 ARG 3 3HG ARG 3 2.566 7.978 -0.164
21 HD2 ARG 3 2HD ARG 3 5.247 8.761 0.288
22 HD3 ARG 3 3HD ARG 3 5.076 8.442 -1.438
23 HE ARG 3 HE ARG 3 4.021 10.653 -0.013
24 HH11 ARG 3 1HH1 ARG 3 3.298 8.452 -2.611
25 HH12 ARG 3 2HH1 ARG 3 2.271 9.570 -3.446
26 HH21 ARG 3 1HH2 ARG 3 2.671 12.134 -1.103
27 HH22 ARG 3 2HH2 ARG 3 1.915 11.664 -2.588
28 H GLY 4 H GLY 4 1.078 5.963 -0.232
29 HA2 GLY 4 2HA GLY 4 -0.631 7.535 1.413
30 HA3 GLY 4 3HA GLY 4 -1.066 6.789 -0.117
31 H TRP 5 H TRP 5 0.054 4.264 1.505
32 HA TRP 5 HA TRP 5 -2.575 3.304 2.152
33 HB2 TRP 5 2HB TRP 5 0.181 2.134 2.151
34 HB3 TRP 5 3HB TRP 5 -1.106 1.300 3.018
35 HD1 TRP 5 HD1 TRP 5 -2.414 -0.389 1.616
36 HE1 TRP 5 HE1 TRP 5 -2.805 -0.796 -0.896
37 HE3 TRP 5 HE3 TRP 5 0.045 3.683 -0.258
38 HZ2 TRP 5 HZ2 TRP 5 -2.157 0.445 -3.347
39 HZ3 TRP 5 HZ3 TRP 5 0.113 3.999 -2.697
40 HH2 TRP 5 HH2 TRP 5 -0.965 2.413 -4.208
41 H LYS 6 H LYS 6 -1.862 5.538 3.719
42 HA LYS 6 HA LYS 6 -1.738 4.309 6.394
43 HB2 LYS 6 2HB LYS 6 -0.281 6.627 5.266
44 HB3 LYS 6 3HB LYS 6 -0.904 6.827 6.899
45 HG2 LYS 6 2HG LYS 6 0.849 5.730 7.677
46 HG3 LYS 6 3HG LYS 6 0.326 4.292 6.796
47 HD2 LYS 6 2HD LYS 6 1.730 4.715 5.011
48 HD3 LYS 6 3HD LYS 6 1.815 6.444 5.354
49 HE2 LYS 6 2HE LYS 6 3.540 6.199 6.776
50 HE3 LYS 6 3HE LYS 6 2.878 4.724 7.479
51 HZ1 LYS 6 3HZ LYS 6 5.041 4.782 5.929
52 HZ2 LYS 6 1HZ LYS 6 3.855 4.489 4.758
53 HZ3 LYS 6 2HZ LYS 6 4.030 3.432 6.067
54 H ARG 7 H ARG 7 -2.361 7.652 5.417
55 HA ARG 7 HA ARG 7 -4.829 7.612 6.959
56 HB2 ARG 7 2HB ARG 7 -3.031 9.723 5.874
57 HB3 ARG 7 3HB ARG 7 -4.723 10.137 6.114
58 HG2 ARG 7 2HG ARG 7 -4.276 10.538 8.241
59 HG3 ARG 7 3HG ARG 7 -3.905 8.826 8.454
60 HD2 ARG 7 2HD ARG 7 -1.577 9.349 7.641
61 HD3 ARG 7 3HD ARG 7 -2.006 11.056 7.757
62 HE ARG 7 HE ARG 7 -1.367 9.286 9.916
63 HH11 ARG 7 1HH1 ARG 7 -3.147 12.141 9.020
64 HH12 ARG 7 2HH1 ARG 7 -3.149 12.801 10.622
65 HH21 ARG 7 1HH2 ARG 7 -1.363 10.145 12.029
66 HH22 ARG 7 2HH2 ARG 7 -2.133 11.666 12.333
67 H LYS 8 H LYS 8 -4.091 9.267 3.903
68 HA LYS 8 HA LYS 8 -6.779 8.907 2.971
69 HB2 LYS 8 2HB LYS 8 -6.044 10.117 0.988
70 HB3 LYS 8 3HB LYS 8 -5.485 10.932 2.443
71 HG2 LYS 8 2HG LYS 8 -3.643 8.984 1.184
72 HG3 LYS 8 3HG LYS 8 -3.915 10.515 0.348
73 HD2 LYS 8 2HD LYS 8 -3.522 11.447 2.824
74 HD3 LYS 8 3HD LYS 8 -2.568 9.965 2.929
75 HE2 LYS 8 2HE LYS 8 -1.492 10.714 0.737
76 HE3 LYS 8 3HE LYS 8 -2.228 12.286 1.050
77 HZ1 LYS 8 3HZ LYS 8 0.179 11.397 2.004
78 HZ2 LYS 8 1HZ LYS 8 -0.854 11.288 3.339
79 HZ3 LYS 8 2HZ LYS 8 -0.666 12.763 2.534
80 H CYS 9 H CYS 9 -5.904 6.412 3.433
81 HA CYS 9 HA CYS 9 -4.536 4.918 1.662
82 HB2 CYS 9 2HB CYS 9 -6.420 3.160 1.979
83 HB3 CYS 9 3HB CYS 9 -5.528 3.711 3.392
84 HG CYS 9 HG CYS 9 -8.669 4.700 2.466
85 HA PRO 10 HA PRO 10 -6.649 6.162 -2.141
86 HB2 PRO 10 2HB PRO 10 -4.646 5.330 -3.774
87 HB3 PRO 10 3HB PRO 10 -4.612 6.880 -2.926
88 HG2 PRO 10 2HG PRO 10 -3.278 4.298 -2.208
89 HG3 PRO 10 3HG PRO 10 -2.630 5.947 -2.146
90 HD2 PRO 10 2HD PRO 10 -3.534 4.653 0.054
91 HD3 PRO 10 3HD PRO 10 -3.665 6.413 -0.140
92 H LEU 11 H LEU 11 -5.028 3.085 -1.477
93 HA LEU 11 HA LEU 11 -7.092 1.737 -3.090
94 HB2 LEU 11 2HB LEU 11 -5.058 1.486 -4.271
95 HB3 LEU 11 3HB LEU 11 -4.167 1.112 -2.797
96 HG LEU 11 HG LEU 11 -6.334 -0.738 -3.677
97 HD11 LEU 11 1HD1 LEU 11 -4.347 -1.945 -4.882
98 HD12 LEU 11 2HD1 LEU 11 -3.726 -0.303 -5.048
99 HD13 LEU 11 3HD1 LEU 11 -5.300 -0.722 -5.722
100 HD21 LEU 11 3HD2 LEU 11 -5.394 -2.141 -2.207
101 HD22 LEU 11 1HD2 LEU 11 -4.583 -0.706 -1.580
102 HD23 LEU 11 2HD2 LEU 11 -3.757 -1.751 -2.736
103 H PHE 12 H PHE 12 -5.065 1.667 -0.224
104 HA PHE 12 HA PHE 12 -5.518 -0.734 0.914
105 HB2 PHE 12 2HB PHE 12 -4.644 1.706 1.841
106 HB3 PHE 12 3HB PHE 12 -6.080 1.421 2.819
107 HD1 PHE 12 HD2 PHE 12 -5.800 -1.648 2.790
108 HD2 PHE 12 HD1 PHE 12 -3.077 1.515 3.625
109 HE1 PHE 12 HE2 PHE 12 -4.507 -3.150 4.248
110 HE2 PHE 12 HE1 PHE 12 -1.779 0.018 5.084
111 HZ PHE 12 HZ PHE 12 -2.495 -2.318 5.398
112 H GLY 13 H GLY 13 -7.765 2.020 1.268
113 HA2 GLY 13 2HA GLY 13 -9.910 0.044 1.754
114 HA3 GLY 13 3HA GLY 13 -9.832 1.593 2.580
115 H LYS 14 H LYS 14 -9.158 1.056 -0.834
116 HA LYS 14 HA LYS 14 -10.472 3.176 -1.877
117 HB2 LYS 14 2HB LYS 14 -9.254 0.967 -2.933
118 HB3 LYS 14 3HB LYS 14 -10.919 0.732 -3.452
119 HG2 LYS 14 2HG LYS 14 -10.935 2.710 -4.694
120 HG3 LYS 14 3HG LYS 14 -9.501 3.338 -3.878
121 HD2 LYS 14 2HD LYS 14 -8.248 1.377 -4.904
122 HD3 LYS 14 3HD LYS 14 -9.673 1.131 -5.916
123 HE2 LYS 14 2HE LYS 14 -9.453 3.428 -6.755
124 HE3 LYS 14 3HE LYS 14 -8.016 3.649 -5.759
125 HZ1 LYS 14 3HZ LYS 14 -6.772 2.660 -7.287
126 HZ2 LYS 14 1HZ LYS 14 -8.104 2.684 -8.329
127 HZ3 LYS 14 2HZ LYS 14 -7.801 1.321 -7.376
128 H GLY 15 H GLY 15 -11.938 0.014 -1.175
129 HA2 GLY 15 2HA GLY 15 -14.587 1.183 -1.697
130 HA3 GLY 15 3HA GLY 15 -14.226 -0.536 -1.625
131 H GLY 16 H GLY 16 -12.603 -0.160 0.841
132 HA2 GLY 16 2HA GLY 16 -13.635 0.962 3.011
133 HA3 GLY 16 3HA GLY 16 -14.854 -0.263 2.695
Start of MODEL 8
1 H1 VAL 1 H VAL 1 0.705 -1.030 1.109
2 HA VAL 1 HA VAL 1 2.716 -1.700 0.185
3 HB VAL 1 HB VAL 1 2.599 -1.801 -2.268
4 HG11 VAL 1 1HG1 VAL 1 0.451 -3.017 -2.435
5 HG12 VAL 1 2HG1 VAL 1 1.386 -3.463 -1.006
6 HG13 VAL 1 3HG1 VAL 1 0.000 -2.382 -0.854
7 HG21 VAL 1 3HG2 VAL 1 1.681 -0.037 -3.292
8 HG22 VAL 1 1HG2 VAL 1 0.131 -0.806 -2.950
9 HG23 VAL 1 2HG2 VAL 1 0.763 0.427 -1.859
10 H ALA 2 H ALA 2 1.763 1.565 -0.657
11 HA ALA 2 HA ALA 2 4.579 2.225 -1.213
12 HB1 ALA 2 1HB ALA 2 3.713 4.228 -2.358
13 HB2 ALA 2 2HB ALA 2 3.120 2.729 -3.074
14 HB3 ALA 2 3HB ALA 2 2.069 3.683 -2.028
15 H ARG 3 H ARG 3 2.707 4.952 -0.760
16 HA ARG 3 HA ARG 3 3.548 5.188 2.054
17 HB2 ARG 3 2HB ARG 3 3.775 7.672 1.540
18 HB3 ARG 3 3HB ARG 3 5.005 6.612 0.865
19 HG2 ARG 3 2HG ARG 3 4.526 7.253 -1.202
20 HG3 ARG 3 3HG ARG 3 2.807 6.928 -0.969
21 HD2 ARG 3 2HD ARG 3 2.549 9.111 0.114
22 HD3 ARG 3 3HD ARG 3 4.265 9.432 -0.130
23 HE ARG 3 HE ARG 3 2.168 9.612 -2.092
24 HH11 ARG 3 1HH1 ARG 3 5.586 9.210 -1.566
25 HH12 ARG 3 2HH1 ARG 3 6.029 9.799 -3.134
26 HH21 ARG 3 1HH2 ARG 3 2.738 10.389 -4.160
27 HH22 ARG 3 2HH2 ARG 3 4.408 10.471 -4.608
28 H GLY 4 H GLY 4 1.161 5.987 -0.397
29 HA2 GLY 4 2HA GLY 4 -0.536 7.534 1.271
30 HA3 GLY 4 3HA GLY 4 -0.995 6.769 -0.243
31 H TRP 5 H TRP 5 0.152 4.243 1.307
32 HA TRP 5 HA TRP 5 -2.453 3.302 2.072
33 HB2 TRP 5 2HB TRP 5 0.288 2.096 1.938
34 HB3 TRP 5 3HB TRP 5 -0.987 1.263 2.824
35 HD1 TRP 5 HD1 TRP 5 -2.409 -0.341 1.426
36 HE1 TRP 5 HE1 TRP 5 -2.865 -0.691 -1.083
37 HE3 TRP 5 HE3 TRP 5 0.166 3.665 -0.434
38 HZ2 TRP 5 HZ2 TRP 5 -2.218 0.565 -3.527
39 HZ3 TRP 5 HZ3 TRP 5 0.199 4.019 -2.868
40 HH2 TRP 5 HH2 TRP 5 -0.969 2.499 -4.381
41 H LYS 6 H LYS 6 -1.652 5.503 3.633
42 HA LYS 6 HA LYS 6 -1.396 4.234 6.281
43 HB2 LYS 6 2HB LYS 6 0.006 6.571 5.115
44 HB3 LYS 6 3HB LYS 6 -0.519 6.733 6.786
45 HG2 LYS 6 2HG LYS 6 1.197 5.526 7.483
46 HG3 LYS 6 3HG LYS 6 0.733 4.188 6.430
47 HD2 LYS 6 2HD LYS 6 2.039 5.007 4.645
48 HD3 LYS 6 3HD LYS 6 2.236 6.585 5.411
49 HE2 LYS 6 2HE LYS 6 3.339 5.087 7.310
50 HE3 LYS 6 3HE LYS 6 3.636 4.021 5.937
51 HZ1 LYS 6 3HZ LYS 6 4.485 6.248 4.878
52 HZ2 LYS 6 1HZ LYS 6 5.492 5.310 5.862
53 HZ3 LYS 6 2HZ LYS 6 4.727 6.678 6.496
54 H ARG 7 H ARG 7 -2.073 7.582 5.335
55 HA ARG 7 HA ARG 7 -4.449 7.539 7.020
56 HB2 ARG 7 2HB ARG 7 -3.017 9.800 5.618
57 HB3 ARG 7 3HB ARG 7 -4.456 10.004 6.606
58 HG2 ARG 7 2HG ARG 7 -1.930 8.773 7.663
59 HG3 ARG 7 3HG ARG 7 -2.245 10.509 7.712
60 HD2 ARG 7 2HD ARG 7 -4.212 8.534 8.819
61 HD3 ARG 7 3HD ARG 7 -2.841 9.092 9.777
62 HE ARG 7 HE ARG 7 -4.250 11.291 8.687
63 HH11 ARG 7 1HH1 ARG 7 -4.461 8.852 11.162
64 HH12 ARG 7 2HH1 ARG 7 -5.458 9.811 12.205
65 HH21 ARG 7 1HH2 ARG 7 -5.561 12.564 10.052
66 HH22 ARG 7 2HH2 ARG 7 -6.083 11.922 11.572
67 H LYS 8 H LYS 8 -3.869 9.227 3.949
68 HA LYS 8 HA LYS 8 -6.603 8.873 3.153
69 HB2 LYS 8 2HB LYS 8 -5.976 10.117 1.155
70 HB3 LYS 8 3HB LYS 8 -5.344 10.911 2.591
71 HG2 LYS 8 2HG LYS 8 -3.565 8.991 1.207
72 HG3 LYS 8 3HG LYS 8 -3.886 10.532 0.408
73 HD2 LYS 8 2HD LYS 8 -3.366 11.432 2.871
74 HD3 LYS 8 3HD LYS 8 -2.404 9.953 2.908
75 HE2 LYS 8 2HE LYS 8 -1.458 10.739 0.662
76 HE3 LYS 8 3HE LYS 8 -2.162 12.306 1.058
77 HZ1 LYS 8 3HZ LYS 8 -0.164 12.617 2.014
78 HZ2 LYS 8 1HZ LYS 8 0.141 10.964 2.211
79 HZ3 LYS 8 2HZ LYS 8 -0.857 11.777 3.308
80 H CYS 9 H CYS 9 -5.684 6.375 3.533
81 HA CYS 9 HA CYS 9 -4.407 4.908 1.683
82 HB2 CYS 9 2HB CYS 9 -6.297 3.155 2.041
83 HB3 CYS 9 3HB CYS 9 -5.327 3.663 3.418
84 HG CYS 9 HG CYS 9 -8.587 4.270 2.756
85 HA PRO 10 HA PRO 10 -6.670 6.226 -2.010
86 HB2 PRO 10 2HB PRO 10 -4.725 5.445 -3.736
87 HB3 PRO 10 3HB PRO 10 -4.670 6.977 -2.856
88 HG2 PRO 10 2HG PRO 10 -3.291 4.391 -2.245
89 HG3 PRO 10 3HG PRO 10 -2.653 6.044 -2.172
90 HD2 PRO 10 2HD PRO 10 -3.462 4.697 0.032
91 HD3 PRO 10 3HD PRO 10 -3.613 6.459 -0.119
92 H LEU 11 H LEU 11 -5.017 3.148 -1.454
93 HA LEU 11 HA LEU 11 -7.117 1.820 -3.039
94 HB2 LEU 11 2HB LEU 11 -5.066 1.627 -4.242
95 HB3 LEU 11 3HB LEU 11 -4.194 1.143 -2.789
96 HG LEU 11 HG LEU 11 -6.414 -0.586 -3.780
97 HD11 LEU 11 1HD1 LEU 11 -5.383 -0.524 -5.815
98 HD12 LEU 11 2HD1 LEU 11 -4.421 -1.776 -5.029
99 HD13 LEU 11 3HD1 LEU 11 -3.806 -0.126 -5.132
100 HD21 LEU 11 3HD2 LEU 11 -5.527 -2.095 -2.386
101 HD22 LEU 11 1HD2 LEU 11 -4.668 -0.726 -1.680
102 HD23 LEU 11 2HD2 LEU 11 -3.876 -1.734 -2.892
103 H PHE 12 H PHE 12 -5.019 1.699 -0.223
104 HA PHE 12 HA PHE 12 -5.456 -0.718 0.885
105 HB2 PHE 12 2HB PHE 12 -4.553 1.709 1.831
106 HB3 PHE 12 3HB PHE 12 -5.956 1.397 2.847
107 HD1 PHE 12 HD2 PHE 12 -5.679 -1.664 2.759
108 HD2 PHE 12 HD1 PHE 12 -2.917 1.478 3.541
109 HE1 PHE 12 HE2 PHE 12 -4.336 -3.193 4.142
110 HE2 PHE 12 HE1 PHE 12 -1.569 -0.046 4.924
111 HZ PHE 12 HZ PHE 12 -2.278 -2.385 5.227
112 H GLY 13 H GLY 13 -7.676 2.041 1.348
113 HA2 GLY 13 2HA GLY 13 -9.820 0.069 1.854
114 HA3 GLY 13 3HA GLY 13 -9.711 1.603 2.705
115 H LYS 14 H LYS 14 -9.130 1.123 -0.734
116 HA LYS 14 HA LYS 14 -10.464 3.271 -1.699
117 HB2 LYS 14 2HB LYS 14 -9.270 1.088 -2.832
118 HB3 LYS 14 3HB LYS 14 -10.946 0.860 -3.314
119 HG2 LYS 14 2HG LYS 14 -10.995 2.835 -4.538
120 HG3 LYS 14 3HG LYS 14 -9.579 3.493 -3.713
121 HD2 LYS 14 2HD LYS 14 -8.160 1.839 -4.807
122 HD3 LYS 14 3HD LYS 14 -9.571 1.139 -5.605
123 HE2 LYS 14 2HE LYS 14 -8.441 2.572 -7.163
124 HE3 LYS 14 3HE LYS 14 -9.965 3.331 -6.704
125 HZ1 LYS 14 3HZ LYS 14 -7.492 4.015 -5.261
126 HZ2 LYS 14 1HZ LYS 14 -8.897 4.935 -5.470
127 HZ3 LYS 14 2HZ LYS 14 -7.818 4.734 -6.757
128 H GLY 15 H GLY 15 -11.915 0.092 -1.042
129 HA2 GLY 15 2HA GLY 15 -14.574 1.296 -1.434
130 HA3 GLY 15 3HA GLY 15 -14.222 -0.425 -1.486
131 H GLY 16 H GLY 16 -12.553 -0.325 0.928
132 HA2 GLY 16 2HA GLY 16 -13.143 0.509 3.254
133 HA3 GLY 16 3HA GLY 16 -14.749 -0.104 2.888
Start of MODEL 9
1 H1 VAL 1 H VAL 1 1.165 -0.220 0.841
2 HA VAL 1 HA VAL 1 3.051 -0.687 -0.348
3 HB VAL 1 HB VAL 1 2.899 -0.491 -2.824
4 HG11 VAL 1 1HG1 VAL 1 0.519 -1.733 -1.448
5 HG12 VAL 1 2HG1 VAL 1 1.058 -2.103 -3.088
6 HG13 VAL 1 3HG1 VAL 1 2.091 -2.488 -1.711
7 HG21 VAL 1 3HG2 VAL 1 0.841 1.377 -2.147
8 HG22 VAL 1 1HG2 VAL 1 1.537 1.013 -3.726
9 HG23 VAL 1 2HG2 VAL 1 0.158 0.086 -3.136
10 H ALA 2 H ALA 2 1.683 2.497 -0.796
11 HA ALA 2 HA ALA 2 4.369 3.564 -1.358
12 HB1 ALA 2 1HB ALA 2 2.760 4.083 -3.095
13 HB2 ALA 2 2HB ALA 2 1.670 4.794 -1.903
14 HB3 ALA 2 3HB ALA 2 3.226 5.554 -2.239
15 H ARG 3 H ARG 3 2.242 5.987 -0.535
16 HA ARG 3 HA ARG 3 3.143 5.982 2.271
17 HB2 ARG 3 2HB ARG 3 2.787 8.417 0.516
18 HB3 ARG 3 3HB ARG 3 3.382 8.392 2.170
19 HG2 ARG 3 2HG ARG 3 5.458 8.037 1.486
20 HG3 ARG 3 3HG ARG 3 4.958 6.655 0.510
21 HD2 ARG 3 2HD ARG 3 4.155 8.364 -1.200
22 HD3 ARG 3 3HD ARG 3 5.064 9.555 -0.271
23 HE ARG 3 HE ARG 3 6.128 7.546 -2.023
24 HH11 ARG 3 1HH1 ARG 3 6.787 9.571 0.731
25 HH12 ARG 3 2HH1 ARG 3 8.504 9.552 0.499
26 HH21 ARG 3 1HH2 ARG 3 8.387 7.513 -2.339
27 HH22 ARG 3 2HH2 ARG 3 9.413 8.382 -1.248
28 H GLY 4 H GLY 4 0.617 6.819 -0.026
29 HA2 GLY 4 2HA GLY 4 -1.173 7.955 1.875
30 HA3 GLY 4 3HA GLY 4 -1.593 7.388 0.265
31 H TRP 5 H TRP 5 -0.156 4.793 1.462
32 HA TRP 5 HA TRP 5 -2.638 3.470 2.033
33 HB2 TRP 5 2HB TRP 5 0.224 2.627 1.799
34 HB3 TRP 5 3HB TRP 5 -0.924 1.545 2.584
35 HD1 TRP 5 HD1 TRP 5 -2.086 -0.090 1.002
36 HE1 TRP 5 HE1 TRP 5 -2.550 -0.202 -1.527
37 HE3 TRP 5 HE3 TRP 5 -0.212 4.465 -0.368
38 HZ2 TRP 5 HZ2 TRP 5 -2.171 1.426 -3.802
39 HZ3 TRP 5 HZ3 TRP 5 -0.301 5.111 -2.740
40 HH2 TRP 5 HH2 TRP 5 -1.260 3.622 -4.420
41 H LYS 6 H LYS 6 -2.014 5.555 3.883
42 HA LYS 6 HA LYS 6 -1.743 3.975 6.356
43 HB2 LYS 6 2HB LYS 6 -0.431 6.483 5.521
44 HB3 LYS 6 3HB LYS 6 -1.064 6.481 7.162
45 HG2 LYS 6 2HG LYS 6 0.647 5.277 7.880
46 HG3 LYS 6 3HG LYS 6 0.352 4.038 6.657
47 HD2 LYS 6 2HD LYS 6 1.790 5.033 5.124
48 HD3 LYS 6 3HD LYS 6 1.717 6.603 5.927
49 HE2 LYS 6 2HE LYS 6 2.833 4.306 7.447
50 HE3 LYS 6 3HE LYS 6 3.816 4.997 6.156
51 HZ1 LYS 6 3HZ LYS 6 2.630 6.585 8.364
52 HZ2 LYS 6 1HZ LYS 6 3.741 7.120 7.206
53 HZ3 LYS 6 2HZ LYS 6 4.214 5.991 8.373
54 H ARG 7 H ARG 7 -2.595 7.375 5.874
55 HA ARG 7 HA ARG 7 -4.988 6.986 7.472
56 HB2 ARG 7 2HB ARG 7 -3.415 9.335 6.524
57 HB3 ARG 7 3HB ARG 7 -5.111 9.580 6.917
58 HG2 ARG 7 2HG ARG 7 -4.414 9.904 9.004
59 HG3 ARG 7 3HG ARG 7 -4.191 8.155 9.073
60 HD2 ARG 7 2HD ARG 7 -2.061 8.619 9.571
61 HD3 ARG 7 3HD ARG 7 -1.886 8.998 7.858
62 HE ARG 7 HE ARG 7 -2.808 11.286 9.170
63 HH11 ARG 7 1HH1 ARG 7 0.028 9.272 9.039
64 HH12 ARG 7 2HH1 ARG 7 1.119 10.557 9.441
65 HH21 ARG 7 1HH2 ARG 7 -1.383 12.986 9.700
66 HH22 ARG 7 2HH2 ARG 7 0.315 12.669 9.818
67 H LYS 8 H LYS 8 -4.574 9.060 4.626
68 HA LYS 8 HA LYS 8 -7.255 8.540 3.760
69 HB2 LYS 8 2HB LYS 8 -6.606 9.978 1.810
70 HB3 LYS 8 3HB LYS 8 -6.378 10.733 3.382
71 HG2 LYS 8 2HG LYS 8 -4.333 11.244 2.684
72 HG3 LYS 8 3HG LYS 8 -3.945 9.535 2.897
73 HD2 LYS 8 2HD LYS 8 -4.026 9.097 0.659
74 HD3 LYS 8 3HD LYS 8 -5.238 10.343 0.350
75 HE2 LYS 8 2HE LYS 8 -3.595 12.072 0.484
76 HE3 LYS 8 3HE LYS 8 -2.373 10.941 1.064
77 HZ1 LYS 8 3HZ LYS 8 -3.222 11.499 -1.625
78 HZ2 LYS 8 1HZ LYS 8 -3.152 9.844 -1.281
79 HZ3 LYS 8 2HZ LYS 8 -1.781 10.811 -1.068
80 H CYS 9 H CYS 9 -6.273 6.102 3.832
81 HA CYS 9 HA CYS 9 -4.811 4.955 1.874
82 HB2 CYS 9 2HB CYS 9 -7.434 3.996 3.023
83 HB3 CYS 9 3HB CYS 9 -6.411 2.999 1.997
84 HG CYS 9 HG CYS 9 -5.766 4.117 5.152
85 HA PRO 10 HA PRO 10 -7.047 6.550 -1.720
86 HB2 PRO 10 2HB PRO 10 -5.019 6.068 -3.459
87 HB3 PRO 10 3HB PRO 10 -5.069 7.492 -2.413
88 HG2 PRO 10 2HG PRO 10 -3.569 4.927 -2.051
89 HG3 PRO 10 3HG PRO 10 -3.023 6.591 -1.774
90 HD2 PRO 10 2HD PRO 10 -3.816 4.964 0.240
91 HD3 PRO 10 3HD PRO 10 -4.058 6.722 0.282
92 H LEU 11 H LEU 11 -5.173 3.540 -1.554
93 HA LEU 11 HA LEU 11 -7.214 2.272 -3.260
94 HB2 LEU 11 2HB LEU 11 -5.274 2.321 -4.576
95 HB3 LEU 11 3HB LEU 11 -4.236 1.918 -3.210
96 HG LEU 11 HG LEU 11 -6.239 -0.090 -4.130
97 HD11 LEU 11 1HD1 LEU 11 -5.375 0.291 -6.230
98 HD12 LEU 11 2HD1 LEU 11 -4.271 -0.935 -5.607
99 HD13 LEU 11 3HD1 LEU 11 -3.791 0.762 -5.612
100 HD21 LEU 11 3HD2 LEU 11 -4.348 -0.051 -2.165
101 HD22 LEU 11 1HD2 LEU 11 -3.489 -0.854 -3.481
102 HD23 LEU 11 2HD2 LEU 11 -5.020 -1.509 -2.897
103 H PHE 12 H PHE 12 -5.016 1.937 -0.537
104 HA PHE 12 HA PHE 12 -5.210 -0.615 0.262
105 HB2 PHE 12 2HB PHE 12 -4.543 1.743 1.516
106 HB3 PHE 12 3HB PHE 12 -5.902 1.173 2.478
107 HD1 PHE 12 HD1 PHE 12 -5.299 -1.818 1.953
108 HD2 PHE 12 HD2 PHE 12 -2.917 1.464 3.247
109 HE1 PHE 12 HE1 PHE 12 -3.806 -3.373 3.139
110 HE2 PHE 12 HE2 PHE 12 -1.420 -0.086 4.434
111 HZ PHE 12 HZ PHE 12 -1.863 -2.508 4.381
112 H GLY 13 H GLY 13 -7.673 1.801 1.195
113 HA2 GLY 13 2HA GLY 13 -9.614 -0.424 1.347
114 HA3 GLY 13 3HA GLY 13 -9.625 0.935 2.461
115 H LYS 14 H LYS 14 -9.111 1.098 -1.024
116 HA LYS 14 HA LYS 14 -10.632 3.262 -1.589
117 HB2 LYS 14 2HB LYS 14 -10.995 2.271 -3.866
118 HB3 LYS 14 3HB LYS 14 -9.325 2.254 -3.317
119 HG2 LYS 14 2HG LYS 14 -9.595 -0.110 -2.666
120 HG3 LYS 14 3HG LYS 14 -11.235 -0.074 -3.318
121 HD2 LYS 14 2HD LYS 14 -9.224 0.918 -5.187
122 HD3 LYS 14 3HD LYS 14 -8.967 -0.762 -4.710
123 HE2 LYS 14 2HE LYS 14 -10.996 -1.455 -5.584
124 HE3 LYS 14 3HE LYS 14 -11.693 0.163 -5.516
125 HZ1 LYS 14 3HZ LYS 14 -10.046 -1.061 -7.572
126 HZ2 LYS 14 1HZ LYS 14 -9.706 0.561 -7.231
127 HZ3 LYS 14 2HZ LYS 14 -11.263 0.107 -7.710
128 H GLY 15 H GLY 15 -11.809 -0.049 -1.203
129 HA2 GLY 15 2HA GLY 15 -14.497 0.521 -1.951
130 HA3 GLY 15 3HA GLY 15 -13.942 -0.903 -1.083
131 H GLY 16 H GLY 16 -14.050 -0.964 1.148
132 HA2 GLY 16 2HA GLY 16 -14.377 1.078 2.941
133 HA3 GLY 16 3HA GLY 16 -15.997 0.784 2.326
Start of MODEL 10
1 H1 VAL 1 H VAL 1 1.732 -0.013 1.271
2 HA VAL 1 HA VAL 1 2.650 -1.706 -0.601
3 HB VAL 1 HB VAL 1 0.679 0.111 -1.995
4 HG11 VAL 1 1HG1 VAL 1 3.011 -1.031 -2.951
5 HG12 VAL 1 2HG1 VAL 1 1.743 -2.132 -3.494
6 HG13 VAL 1 3HG1 VAL 1 1.669 -0.422 -3.919
7 HG21 VAL 1 3HG2 VAL 1 -0.373 -1.748 -0.705
8 HG22 VAL 1 1HG2 VAL 1 -0.645 -1.832 -2.445
9 HG23 VAL 1 2HG2 VAL 1 0.549 -2.885 -1.688
10 H ALA 2 H ALA 2 1.688 1.718 -0.500
11 HA ALA 2 HA ALA 2 4.481 2.423 -1.131
12 HB1 ALA 2 1HB ALA 2 1.966 3.898 -1.903
13 HB2 ALA 2 2HB ALA 2 3.608 4.487 -2.167
14 HB3 ALA 2 3HB ALA 2 3.054 3.026 -2.983
15 H ARG 3 H ARG 3 2.598 5.115 -0.557
16 HA ARG 3 HA ARG 3 3.393 5.195 2.280
17 HB2 ARG 3 2HB ARG 3 4.851 6.677 1.102
18 HB3 ARG 3 3HB ARG 3 3.514 7.371 0.195
19 HG2 ARG 3 2HG ARG 3 3.046 7.685 3.003
20 HG3 ARG 3 3HG ARG 3 4.644 8.304 2.581
21 HD2 ARG 3 2HD ARG 3 2.537 9.045 0.690
22 HD3 ARG 3 3HD ARG 3 2.291 9.675 2.319
23 HE ARG 3 HE ARG 3 4.897 10.249 1.757
24 HH11 ARG 3 1HH1 ARG 3 1.847 10.913 0.215
25 HH12 ARG 3 2HH1 ARG 3 2.376 12.409 -0.480
26 HH21 ARG 3 1HH2 ARG 3 5.605 12.217 0.847
27 HH22 ARG 3 2HH2 ARG 3 4.514 13.150 -0.121
28 H GLY 4 H GLY 4 1.013 6.040 -0.148
29 HA2 GLY 4 2HA GLY 4 -0.713 7.520 1.557
30 HA3 GLY 4 3HA GLY 4 -1.153 6.794 0.018
31 H TRP 5 H TRP 5 0.052 4.264 1.566
32 HA TRP 5 HA TRP 5 -2.535 3.213 2.218
33 HB2 TRP 5 2HB TRP 5 0.257 2.140 2.191
34 HB3 TRP 5 3HB TRP 5 -0.988 1.255 3.067
35 HD1 TRP 5 HD1 TRP 5 -2.233 -0.482 1.668
36 HE1 TRP 5 HE1 TRP 5 -2.645 -0.885 -0.841
37 HE3 TRP 5 HE3 TRP 5 0.014 3.710 -0.206
38 HZ2 TRP 5 HZ2 TRP 5 -2.089 0.405 -3.290
39 HZ3 TRP 5 HZ3 TRP 5 0.031 4.050 -2.642
40 HH2 TRP 5 HH2 TRP 5 -0.999 2.430 -4.151
41 H LYS 6 H LYS 6 -1.794 5.467 3.811
42 HA LYS 6 HA LYS 6 -1.711 4.203 6.472
43 HB2 LYS 6 2HB LYS 6 -0.270 6.583 5.408
44 HB3 LYS 6 3HB LYS 6 -0.818 6.639 7.078
45 HG2 LYS 6 2HG LYS 6 1.124 5.655 7.553
46 HG3 LYS 6 3HG LYS 6 0.364 4.181 6.950
47 HD2 LYS 6 2HD LYS 6 1.334 4.472 4.793
48 HD3 LYS 6 3HD LYS 6 1.885 6.100 5.194
49 HE2 LYS 6 2HE LYS 6 2.838 3.574 6.539
50 HE3 LYS 6 3HE LYS 6 3.695 4.409 5.244
51 HZ1 LYS 6 3HZ LYS 6 3.098 6.282 7.227
52 HZ2 LYS 6 1HZ LYS 6 4.619 5.707 6.758
53 HZ3 LYS 6 2HZ LYS 6 3.767 4.932 7.997
54 H ARG 7 H ARG 7 -2.275 7.569 5.541
55 HA ARG 7 HA ARG 7 -4.731 7.570 7.089
56 HB2 ARG 7 2HB ARG 7 -3.210 9.770 5.684
57 HB3 ARG 7 3HB ARG 7 -4.714 10.028 6.558
58 HG2 ARG 7 2HG ARG 7 -3.720 9.908 8.570
59 HG3 ARG 7 3HG ARG 7 -2.607 8.636 8.063
60 HD2 ARG 7 2HD ARG 7 -1.568 10.585 6.629
61 HD3 ARG 7 3HD ARG 7 -2.345 11.595 7.848
62 HE ARG 7 HE ARG 7 -0.906 9.599 9.167
63 HH11 ARG 7 1HH1 ARG 7 -0.322 12.375 7.149
64 HH12 ARG 7 2HH1 ARG 7 1.231 12.712 7.838
65 HH21 ARG 7 1HH2 ARG 7 1.138 10.032 10.081
66 HH22 ARG 7 2HH2 ARG 7 2.062 11.378 9.505
67 H LYS 8 H LYS 8 -4.080 9.223 4.019
68 HA LYS 8 HA LYS 8 -6.773 8.803 3.134
69 HB2 LYS 8 2HB LYS 8 -5.962 9.924 1.041
70 HB3 LYS 8 3HB LYS 8 -5.712 10.855 2.512
71 HG2 LYS 8 2HG LYS 8 -3.616 11.113 1.827
72 HG3 LYS 8 3HG LYS 8 -3.373 9.421 2.267
73 HD2 LYS 8 2HD LYS 8 -3.434 8.707 0.102
74 HD3 LYS 8 3HD LYS 8 -4.534 9.991 -0.405
75 HE2 LYS 8 2HE LYS 8 -1.831 10.822 0.463
76 HE3 LYS 8 3HE LYS 8 -1.932 9.933 -1.056
77 HZ1 LYS 8 3HZ LYS 8 -2.088 12.339 -1.372
78 HZ2 LYS 8 1HZ LYS 8 -3.481 12.384 -0.412
79 HZ3 LYS 8 2HZ LYS 8 -3.495 11.553 -1.885
80 H CYS 9 H CYS 9 -5.993 6.327 3.547
81 HA CYS 9 HA CYS 9 -4.581 4.827 1.804
82 HB2 CYS 9 2HB CYS 9 -7.302 4.231 2.969
83 HB3 CYS 9 3HB CYS 9 -6.338 3.033 2.115
84 HG CYS 9 HG CYS 9 -5.741 4.458 5.146
85 HA PRO 10 HA PRO 10 -6.585 6.115 -2.042
86 HB2 PRO 10 2HB PRO 10 -4.558 5.256 -3.631
87 HB3 PRO 10 3HB PRO 10 -4.519 6.802 -2.776
88 HG2 PRO 10 2HG PRO 10 -3.244 4.196 -2.038
89 HG3 PRO 10 3HG PRO 10 -2.571 5.834 -1.954
90 HD2 PRO 10 2HD PRO 10 -3.546 4.547 0.219
91 HD3 PRO 10 3HD PRO 10 -3.644 6.310 0.029
92 H LEU 11 H LEU 11 -4.965 3.014 -1.434
93 HA LEU 11 HA LEU 11 -7.061 1.700 -3.034
94 HB2 LEU 11 2HB LEU 11 -5.098 1.427 -4.283
95 HB3 LEU 11 3HB LEU 11 -4.123 1.133 -2.846
96 HG LEU 11 HG LEU 11 -6.254 -0.827 -3.556
97 HD11 LEU 11 1HD1 LEU 11 -4.334 -2.001 -4.857
98 HD12 LEU 11 2HD1 LEU 11 -3.719 -0.362 -5.063
99 HD13 LEU 11 3HD1 LEU 11 -5.322 -0.783 -5.663
100 HD21 LEU 11 3HD2 LEU 11 -4.408 -0.669 -1.558
101 HD22 LEU 11 1HD2 LEU 11 -3.580 -1.691 -2.732
102 HD23 LEU 11 2HD2 LEU 11 -5.166 -2.160 -2.119
103 H PHE 12 H PHE 12 -4.965 1.553 -0.217
104 HA PHE 12 HA PHE 12 -5.378 -0.855 0.889
105 HB2 PHE 12 2HB PHE 12 -4.557 1.587 1.858
106 HB3 PHE 12 3HB PHE 12 -5.982 1.251 2.837
107 HD1 PHE 12 HD2 PHE 12 -5.608 -1.819 2.720
108 HD2 PHE 12 HD1 PHE 12 -3.000 1.410 3.662
109 HE1 PHE 12 HE2 PHE 12 -4.274 -3.317 4.145
110 HE2 PHE 12 HE1 PHE 12 -1.661 -0.083 5.087
111 HZ PHE 12 HZ PHE 12 -2.298 -2.450 5.331
112 H GLY 13 H GLY 13 -7.666 1.838 1.421
113 HA2 GLY 13 2HA GLY 13 -9.778 -0.197 1.788
114 HA3 GLY 13 3HA GLY 13 -9.711 1.292 2.719
115 H LYS 14 H LYS 14 -9.097 0.965 -0.737
116 HA LYS 14 HA LYS 14 -10.424 3.143 -1.631
117 HB2 LYS 14 2HB LYS 14 -9.111 1.428 -2.982
118 HB3 LYS 14 3HB LYS 14 -10.607 0.510 -3.092
119 HG2 LYS 14 2HG LYS 14 -11.257 1.734 -4.813
120 HG3 LYS 14 3HG LYS 14 -11.141 3.203 -3.841
121 HD2 LYS 14 2HD LYS 14 -9.150 3.785 -4.729
122 HD3 LYS 14 3HD LYS 14 -8.575 2.118 -4.791
123 HE2 LYS 14 2HE LYS 14 -8.767 2.751 -7.035
124 HE3 LYS 14 3HE LYS 14 -10.224 1.811 -6.719
125 HZ1 LYS 14 3HZ LYS 14 -11.327 3.548 -7.522
126 HZ2 LYS 14 1HZ LYS 14 -9.966 4.552 -7.481
127 HZ3 LYS 14 2HZ LYS 14 -10.927 4.374 -6.101
128 H GLY 15 H GLY 15 -11.977 -0.065 -1.836
129 HA2 GLY 15 2HA GLY 15 -14.587 1.240 -1.791
130 HA3 GLY 15 3HA GLY 15 -14.274 -0.450 -2.159
131 H GLY 16 H GLY 16 -13.789 -1.895 -0.380
132 HA2 GLY 16 2HA GLY 16 -13.674 -1.558 2.257
133 HA3 GLY 16 3HA GLY 16 -15.367 -1.190 1.965
Start of MODEL 11
1 H1 VAL 1 H VAL 1 1.837 -0.325 1.115
2 HA VAL 1 HA VAL 1 2.760 -1.211 -0.880
3 HB VAL 1 HB VAL 1 0.709 0.508 -2.284
4 HG11 VAL 1 1HG1 VAL 1 1.846 -1.476 -3.968
5 HG12 VAL 1 2HG1 VAL 1 1.921 0.280 -4.130
6 HG13 VAL 1 3HG1 VAL 1 3.162 -0.577 -3.214
7 HG21 VAL 1 3HG2 VAL 1 -0.670 -1.258 -2.359
8 HG22 VAL 1 1HG2 VAL 1 0.646 -2.392 -2.661
9 HG23 VAL 1 2HG2 VAL 1 0.289 -1.875 -1.013
10 H ALA 2 H ALA 2 1.729 2.187 -0.773
11 HA ALA 2 HA ALA 2 4.504 2.954 -1.410
12 HB1 ALA 2 1HB ALA 2 3.589 5.011 -2.420
13 HB2 ALA 2 2HB ALA 2 3.051 3.548 -3.247
14 HB3 ALA 2 3HB ALA 2 1.959 4.393 -2.150
15 H ARG 3 H ARG 3 2.584 5.607 -0.799
16 HA ARG 3 HA ARG 3 3.378 5.664 2.039
17 HB2 ARG 3 2HB ARG 3 3.435 7.903 0.012
18 HB3 ARG 3 3HB ARG 3 3.634 8.145 1.742
19 HG2 ARG 3 2HG ARG 3 5.757 7.432 1.724
20 HG3 ARG 3 3HG ARG 3 5.416 6.129 0.584
21 HD2 ARG 3 2HD ARG 3 5.210 8.001 -1.167
22 HD3 ARG 3 3HD ARG 3 6.027 9.011 0.025
23 HE ARG 3 HE ARG 3 7.192 6.920 -1.570
24 HH11 ARG 3 1HH1 ARG 3 7.467 8.790 1.354
25 HH12 ARG 3 2HH1 ARG 3 9.176 8.548 1.503
26 HH21 ARG 3 1HH2 ARG 3 9.442 6.594 -1.385
27 HH22 ARG 3 2HH2 ARG 3 10.299 7.299 -0.056
28 H GLY 4 H GLY 4 0.981 6.462 -0.376
29 HA2 GLY 4 2HA GLY 4 -0.760 7.925 1.337
30 HA3 GLY 4 3HA GLY 4 -1.190 7.206 -0.208
31 H TRP 5 H TRP 5 0.050 4.682 1.330
32 HA TRP 5 HA TRP 5 -2.525 3.591 1.969
33 HB2 TRP 5 2HB TRP 5 0.282 2.556 1.939
34 HB3 TRP 5 3HB TRP 5 -0.952 1.649 2.808
35 HD1 TRP 5 HD1 TRP 5 -2.168 -0.099 1.396
36 HE1 TRP 5 HE1 TRP 5 -2.572 -0.490 -1.115
37 HE3 TRP 5 HE3 TRP 5 0.014 4.141 -0.448
38 HZ2 TRP 5 HZ2 TRP 5 -2.037 0.825 -3.555
39 HZ3 TRP 5 HZ3 TRP 5 0.026 4.499 -2.882
40 HH2 TRP 5 HH2 TRP 5 -0.978 2.873 -4.402
41 H LYS 6 H LYS 6 -1.810 5.846 3.578
42 HA LYS 6 HA LYS 6 -1.719 4.565 6.230
43 HB2 LYS 6 2HB LYS 6 -0.269 6.929 5.171
44 HB3 LYS 6 3HB LYS 6 -0.867 7.040 6.821
45 HG2 LYS 6 2HG LYS 6 1.296 6.234 7.064
46 HG3 LYS 6 3HG LYS 6 0.295 4.785 7.187
47 HD2 LYS 6 2HD LYS 6 1.543 3.894 5.572
48 HD3 LYS 6 3HD LYS 6 0.824 5.065 4.464
49 HE2 LYS 6 2HE LYS 6 3.093 5.424 4.173
50 HE3 LYS 6 3HE LYS 6 2.659 6.662 5.350
51 HZ1 LYS 6 3HZ LYS 6 3.299 4.599 6.937
52 HZ2 LYS 6 1HZ LYS 6 4.378 5.821 6.486
53 HZ3 LYS 6 2HZ LYS 6 4.369 4.351 5.650
54 H ARG 7 H ARG 7 -2.314 7.932 5.325
55 HA ARG 7 HA ARG 7 -4.767 7.904 6.873
56 HB2 ARG 7 2HB ARG 7 -3.005 9.999 5.698
57 HB3 ARG 7 3HB ARG 7 -4.694 10.409 5.969
58 HG2 ARG 7 2HG ARG 7 -3.775 11.082 7.946
59 HG3 ARG 7 3HG ARG 7 -4.226 9.425 8.353
60 HD2 ARG 7 2HD ARG 7 -1.952 8.681 7.895
61 HD3 ARG 7 3HD ARG 7 -1.496 10.321 7.438
62 HE ARG 7 HE ARG 7 -2.548 10.355 10.040
63 HH11 ARG 7 1HH1 ARG 7 0.243 9.227 8.291
64 HH12 ARG 7 2HH1 ARG 7 1.306 9.342 9.654
65 HH21 ARG 7 1HH2 ARG 7 -1.158 10.511 11.842
66 HH22 ARG 7 2HH2 ARG 7 0.508 10.072 11.673
67 H LYS 8 H LYS 8 -4.157 9.574 3.805
68 HA LYS 8 HA LYS 8 -6.845 9.103 2.928
69 HB2 LYS 8 2HB LYS 8 -4.581 10.159 1.242
70 HB3 LYS 8 3HB LYS 8 -6.304 10.449 1.043
71 HG2 LYS 8 2HG LYS 8 -4.745 11.390 3.434
72 HG3 LYS 8 3HG LYS 8 -4.975 12.361 1.978
73 HD2 LYS 8 2HD LYS 8 -7.356 11.164 3.319
74 HD3 LYS 8 3HD LYS 8 -6.606 12.598 4.022
75 HE2 LYS 8 2HE LYS 8 -6.776 13.182 1.320
76 HE3 LYS 8 3HE LYS 8 -8.284 12.336 1.666
77 HZ1 LYS 8 3HZ LYS 8 -7.841 14.961 2.106
78 HZ2 LYS 8 1HZ LYS 8 -7.574 14.305 3.643
79 HZ3 LYS 8 2HZ LYS 8 -9.049 14.045 2.857
80 H CYS 9 H CYS 9 -6.046 6.642 3.312
81 HA CYS 9 HA CYS 9 -4.594 5.182 1.562
82 HB2 CYS 9 2HB CYS 9 -7.308 4.528 2.716
83 HB3 CYS 9 3HB CYS 9 -6.320 3.355 1.855
84 HG CYS 9 HG CYS 9 -6.301 3.961 4.995
85 HA PRO 10 HA PRO 10 -6.610 6.462 -2.278
86 HB2 PRO 10 2HB PRO 10 -4.570 5.642 -3.870
87 HB3 PRO 10 3HB PRO 10 -4.553 7.183 -3.005
88 HG2 PRO 10 2HG PRO 10 -3.244 4.589 -2.282
89 HG3 PRO 10 3HG PRO 10 -2.593 6.236 -2.186
90 HD2 PRO 10 2HD PRO 10 -3.555 4.922 -0.023
91 HD3 PRO 10 3HD PRO 10 -3.676 6.684 -0.202
92 H LEU 11 H LEU 11 -4.950 3.381 -1.688
93 HA LEU 11 HA LEU 11 -7.026 2.049 -3.299
94 HB2 LEU 11 2HB LEU 11 -5.061 1.809 -4.550
95 HB3 LEU 11 3HB LEU 11 -4.080 1.523 -3.114
96 HG LEU 11 HG LEU 11 -6.182 -0.466 -3.832
97 HD11 LEU 11 1HD1 LEU 11 -5.255 -0.401 -5.940
98 HD12 LEU 11 2HD1 LEU 11 -4.243 -1.603 -5.140
99 HD13 LEU 11 3HD1 LEU 11 -3.657 0.048 -5.342
100 HD21 LEU 11 3HD2 LEU 11 -4.338 -0.290 -1.835
101 HD22 LEU 11 1HD2 LEU 11 -3.492 -1.290 -3.016
102 HD23 LEU 11 2HD2 LEU 11 -5.069 -1.791 -2.406
103 H PHE 12 H PHE 12 -4.929 1.910 -0.482
104 HA PHE 12 HA PHE 12 -5.309 -0.511 0.608
105 HB2 PHE 12 2HB PHE 12 -4.523 1.936 1.593
106 HB3 PHE 12 3HB PHE 12 -5.943 1.573 2.569
107 HD1 PHE 12 HD2 PHE 12 -5.525 -1.491 2.429
108 HD2 PHE 12 HD1 PHE 12 -2.966 1.768 3.400
109 HE1 PHE 12 HE2 PHE 12 -4.171 -2.980 3.844
110 HE2 PHE 12 HE1 PHE 12 -1.607 0.284 4.816
111 HZ PHE 12 HZ PHE 12 -2.210 -2.093 5.041
112 H GLY 13 H GLY 13 -7.634 2.147 1.159
113 HA2 GLY 13 2HA GLY 13 -9.718 0.079 1.509
114 HA3 GLY 13 3HA GLY 13 -9.672 1.562 2.452
115 H LYS 14 H LYS 14 -9.054 1.270 -1.007
116 HA LYS 14 HA LYS 14 -10.414 3.438 -1.881
117 HB2 LYS 14 2HB LYS 14 -10.789 2.193 -4.032
118 HB3 LYS 14 3HB LYS 14 -9.135 2.151 -3.434
119 HG2 LYS 14 2HG LYS 14 -9.624 -0.095 -2.462
120 HG3 LYS 14 3HG LYS 14 -11.186 -0.045 -3.282
121 HD2 LYS 14 2HD LYS 14 -8.740 0.479 -4.891
122 HD3 LYS 14 3HD LYS 14 -9.064 -1.181 -4.388
123 HE2 LYS 14 2HE LYS 14 -11.254 -1.094 -5.429
124 HE3 LYS 14 3HE LYS 14 -11.004 0.596 -5.865
125 HZ1 LYS 14 3HZ LYS 14 -9.016 -0.218 -7.158
126 HZ2 LYS 14 1HZ LYS 14 -10.530 -0.645 -7.781
127 HZ3 LYS 14 2HZ LYS 14 -9.611 -1.786 -6.936
128 H GLY 15 H GLY 15 -11.818 0.278 -1.144
129 HA2 GLY 15 2HA GLY 15 -14.496 1.421 -1.608
130 HA3 GLY 15 3HA GLY 15 -14.117 -0.294 -1.635
131 H GLY 16 H GLY 16 -14.414 -1.457 0.172
132 HA2 GLY 16 2HA GLY 16 -15.129 0.046 2.609
133 HA3 GLY 16 3HA GLY 16 -15.753 -1.543 2.193
Start of MODEL 12
1 H1 VAL 1 H VAL 1 1.720 0.614 0.904
2 HA VAL 1 HA VAL 1 2.791 -1.108 -0.915
3 HB VAL 1 HB VAL 1 0.798 0.677 -2.320
4 HG11 VAL 1 1HG1 VAL 1 1.978 0.386 -4.177
5 HG12 VAL 1 2HG1 VAL 1 3.232 -0.410 -3.225
6 HG13 VAL 1 3HG1 VAL 1 1.945 -1.364 -3.963
7 HG21 VAL 1 3HG2 VAL 1 -0.445 -1.262 -2.849
8 HG22 VAL 1 1HG2 VAL 1 0.831 -2.330 -2.262
9 HG23 VAL 1 2HG2 VAL 1 -0.106 -1.365 -1.121
10 H ALA 2 H ALA 2 1.773 2.294 -0.751
11 HA ALA 2 HA ALA 2 4.565 3.060 -1.307
12 HB1 ALA 2 1HB ALA 2 3.680 5.145 -2.288
13 HB2 ALA 2 2HB ALA 2 3.162 3.704 -3.163
14 HB3 ALA 2 3HB ALA 2 2.043 4.524 -2.073
15 H ARG 3 H ARG 3 2.637 5.706 -0.678
16 HA ARG 3 HA ARG 3 3.373 5.698 2.176
17 HB2 ARG 3 2HB ARG 3 3.316 8.119 0.368
18 HB3 ARG 3 3HB ARG 3 3.856 8.059 2.041
19 HG2 ARG 3 2HG ARG 3 5.899 7.882 1.160
20 HG3 ARG 3 3HG ARG 3 5.463 6.194 0.882
21 HD2 ARG 3 2HD ARG 3 4.817 6.655 -1.367
22 HD3 ARG 3 3HD ARG 3 4.946 8.394 -1.108
23 HE ARG 3 HE ARG 3 7.175 8.233 -1.553
24 HH11 ARG 3 1HH1 ARG 3 5.996 5.086 -0.645
25 HH12 ARG 3 2HH1 ARG 3 7.497 4.285 -0.972
26 HH21 ARG 3 1HH2 ARG 3 9.157 7.190 -1.988
27 HH22 ARG 3 2HH2 ARG 3 9.295 5.483 -1.735
28 H GLY 4 H GLY 4 1.030 6.563 -0.271
29 HA2 GLY 4 2HA GLY 4 -0.743 7.990 1.437
30 HA3 GLY 4 3HA GLY 4 -1.143 7.306 -0.132
31 H TRP 5 H TRP 5 0.059 4.746 1.377
32 HA TRP 5 HA TRP 5 -2.531 3.648 1.938
33 HB2 TRP 5 2HB TRP 5 0.274 2.608 1.946
34 HB3 TRP 5 3HB TRP 5 -0.981 1.685 2.769
35 HD1 TRP 5 HD1 TRP 5 -2.166 -0.031 1.294
36 HE1 TRP 5 HE1 TRP 5 -2.517 -0.367 -1.234
37 HE3 TRP 5 HE3 TRP 5 0.057 4.246 -0.411
38 HZ2 TRP 5 HZ2 TRP 5 -1.929 0.999 -3.633
39 HZ3 TRP 5 HZ3 TRP 5 0.121 4.655 -2.836
40 HH2 TRP 5 HH2 TRP 5 -0.851 3.064 -4.412
41 H LYS 6 H LYS 6 -1.847 5.867 3.609
42 HA LYS 6 HA LYS 6 -1.819 4.529 6.235
43 HB2 LYS 6 2HB LYS 6 -0.434 7.019 5.312
44 HB3 LYS 6 3HB LYS 6 -0.922 6.874 6.995
45 HG2 LYS 6 2HG LYS 6 0.761 5.500 7.469
46 HG3 LYS 6 3HG LYS 6 0.469 4.512 6.036
47 HD2 LYS 6 2HD LYS 6 2.065 5.556 4.853
48 HD3 LYS 6 3HD LYS 6 1.595 7.149 5.450
49 HE2 LYS 6 2HE LYS 6 2.823 6.801 7.490
50 HE3 LYS 6 3HE LYS 6 3.174 5.133 7.041
51 HZ1 LYS 6 3HZ LYS 6 4.852 7.145 6.617
52 HZ2 LYS 6 1HZ LYS 6 4.018 7.166 5.145
53 HZ3 LYS 6 2HZ LYS 6 4.810 5.759 5.649
54 H ARG 7 H ARG 7 -2.375 7.920 5.397
55 HA ARG 7 HA ARG 7 -4.858 7.877 6.892
56 HB2 ARG 7 2HB ARG 7 -3.027 9.955 5.839
57 HB3 ARG 7 3HB ARG 7 -4.726 10.398 5.949
58 HG2 ARG 7 2HG ARG 7 -3.939 11.079 7.992
59 HG3 ARG 7 3HG ARG 7 -4.528 9.459 8.370
60 HD2 ARG 7 2HD ARG 7 -1.957 8.969 7.579
61 HD3 ARG 7 3HD ARG 7 -1.804 10.528 8.389
62 HE ARG 7 HE ARG 7 -3.318 8.871 10.035
63 HH11 ARG 7 1HH1 ARG 7 -0.084 9.040 8.759
64 HH12 ARG 7 2HH1 ARG 7 0.632 8.225 10.110
65 HH21 ARG 7 1HH2 ARG 7 -2.388 7.796 11.819
66 HH22 ARG 7 2HH2 ARG 7 -0.680 7.517 11.850
67 H LYS 8 H LYS 8 -4.206 9.603 3.867
68 HA LYS 8 HA LYS 8 -6.877 9.133 2.937
69 HB2 LYS 8 2HB LYS 8 -4.524 10.312 1.449
70 HB3 LYS 8 3HB LYS 8 -6.216 10.433 0.986
71 HG2 LYS 8 2HG LYS 8 -5.185 11.511 3.591
72 HG3 LYS 8 3HG LYS 8 -5.180 12.457 2.101
73 HD2 LYS 8 2HD LYS 8 -7.551 12.356 1.933
74 HD3 LYS 8 3HD LYS 8 -7.653 11.146 3.214
75 HE2 LYS 8 2HE LYS 8 -8.152 12.952 4.477
76 HE3 LYS 8 3HE LYS 8 -6.397 13.106 4.547
77 HZ1 LYS 8 3HZ LYS 8 -8.172 14.989 3.636
78 HZ2 LYS 8 1HZ LYS 8 -7.461 14.371 2.230
79 HZ3 LYS 8 2HZ LYS 8 -6.490 15.019 3.454
80 H CYS 9 H CYS 9 -6.093 6.671 3.274
81 HA CYS 9 HA CYS 9 -4.594 5.255 1.523
82 HB2 CYS 9 2HB CYS 9 -7.329 4.567 2.606
83 HB3 CYS 9 3HB CYS 9 -6.319 3.417 1.739
84 HG CYS 9 HG CYS 9 -4.435 4.665 4.052
85 HA PRO 10 HA PRO 10 -6.531 6.613 -2.330
86 HB2 PRO 10 2HB PRO 10 -4.459 5.825 -3.897
87 HB3 PRO 10 3HB PRO 10 -4.459 7.347 -2.999
88 HG2 PRO 10 2HG PRO 10 -3.166 4.739 -2.304
89 HG3 PRO 10 3HG PRO 10 -2.517 6.383 -2.160
90 HD2 PRO 10 2HD PRO 10 -3.523 5.024 -0.045
91 HD3 PRO 10 3HD PRO 10 -3.640 6.789 -0.189
92 H LEU 11 H LEU 11 -4.882 3.519 -1.773
93 HA LEU 11 HA LEU 11 -6.925 2.223 -3.455
94 HB2 LEU 11 2HB LEU 11 -4.932 2.008 -4.666
95 HB3 LEU 11 3HB LEU 11 -3.984 1.689 -3.215
96 HG LEU 11 HG LEU 11 -6.071 -0.281 -4.018
97 HD11 LEU 11 1HD1 LEU 11 -4.128 -1.397 -5.322
98 HD12 LEU 11 2HD1 LEU 11 -3.506 0.247 -5.458
99 HD13 LEU 11 3HD1 LEU 11 -5.096 -0.150 -6.109
100 HD21 LEU 11 3HD2 LEU 11 -3.396 -1.122 -3.166
101 HD22 LEU 11 1HD2 LEU 11 -4.985 -1.639 -2.603
102 HD23 LEU 11 2HD2 LEU 11 -4.271 -0.151 -1.981
103 H PHE 12 H PHE 12 -4.889 2.022 -0.596
104 HA PHE 12 HA PHE 12 -5.298 -0.421 0.433
105 HB2 PHE 12 2HB PHE 12 -4.526 2.003 1.487
106 HB3 PHE 12 3HB PHE 12 -5.966 1.622 2.426
107 HD1 PHE 12 HD2 PHE 12 -5.546 -1.441 2.223
108 HD2 PHE 12 HD1 PHE 12 -3.009 1.794 3.323
109 HE1 PHE 12 HE2 PHE 12 -4.223 -2.963 3.632
110 HE2 PHE 12 HE1 PHE 12 -1.680 0.277 4.733
111 HZ PHE 12 HZ PHE 12 -2.287 -2.104 4.890
112 H GLY 13 H GLY 13 -7.627 2.232 0.987
113 HA2 GLY 13 2HA GLY 13 -9.724 0.165 1.251
114 HA3 GLY 13 3HA GLY 13 -9.693 1.626 2.227
115 H LYS 14 H LYS 14 -9.003 1.407 -1.224
116 HA LYS 14 HA LYS 14 -10.341 3.598 -2.076
117 HB2 LYS 14 2HB LYS 14 -10.696 2.367 -4.259
118 HB3 LYS 14 3HB LYS 14 -9.046 2.384 -3.651
119 HG2 LYS 14 2HG LYS 14 -9.417 0.115 -2.725
120 HG3 LYS 14 3HG LYS 14 -11.008 0.107 -3.489
121 HD2 LYS 14 2HD LYS 14 -10.110 0.069 -5.639
122 HD3 LYS 14 3HD LYS 14 -8.537 0.657 -5.094
123 HE2 LYS 14 2HE LYS 14 -7.959 -1.514 -5.297
124 HE3 LYS 14 3HE LYS 14 -8.693 -1.642 -3.700
125 HZ1 LYS 14 3HZ LYS 14 -9.978 -3.191 -4.619
126 HZ2 LYS 14 1HZ LYS 14 -9.556 -2.753 -6.198
127 HZ3 LYS 14 2HZ LYS 14 -10.795 -1.929 -5.394
128 H GLY 15 H GLY 15 -11.763 0.426 -1.436
129 HA2 GLY 15 2HA GLY 15 -14.414 1.401 -2.171
130 HA3 GLY 15 3HA GLY 15 -13.998 -0.247 -1.725
131 H GLY 16 H GLY 16 -13.626 -0.711 0.546
132 HA2 GLY 16 2HA GLY 16 -15.283 1.034 2.245
133 HA3 GLY 16 3HA GLY 16 -15.029 -0.685 2.504
Start of MODEL 13
1 H1 VAL 1 H VAL 1 1.937 -0.582 1.634
2 HA VAL 1 HA VAL 1 2.972 -1.294 -0.335
3 HB VAL 1 HB VAL 1 0.957 0.432 -1.781
4 HG11 VAL 1 1HG1 VAL 1 2.170 -1.615 -3.376
5 HG12 VAL 1 2HG1 VAL 1 2.154 0.132 -3.627
6 HG13 VAL 1 3HG1 VAL 1 3.421 -0.608 -2.647
7 HG21 VAL 1 3HG2 VAL 1 0.070 -1.604 -0.569
8 HG22 VAL 1 1HG2 VAL 1 -0.235 -1.544 -2.305
9 HG23 VAL 1 2HG2 VAL 1 1.048 -2.575 -1.670
10 H ALA 2 H ALA 2 1.864 2.086 -0.264
11 HA ALA 2 HA ALA 2 4.652 2.910 -0.756
12 HB1 ALA 2 1HB ALA 2 2.119 4.282 -1.645
13 HB2 ALA 2 2HB ALA 2 3.744 4.944 -1.823
14 HB3 ALA 2 3HB ALA 2 3.296 3.465 -2.673
15 H ARG 3 H ARG 3 2.620 5.512 -0.260
16 HA ARG 3 HA ARG 3 3.280 5.611 2.610
17 HB2 ARG 3 2HB ARG 3 3.653 8.000 2.409
18 HB3 ARG 3 3HB ARG 3 4.691 7.140 1.280
19 HG2 ARG 3 2HG ARG 3 2.527 7.627 -0.277
20 HG3 ARG 3 3HG ARG 3 2.522 9.043 0.776
21 HD2 ARG 3 2HD ARG 3 4.583 9.769 0.029
22 HD3 ARG 3 3HD ARG 3 5.075 8.159 -0.494
23 HE ARG 3 HE ARG 3 2.871 9.157 -2.007
24 HH11 ARG 3 1HH1 ARG 3 6.331 9.301 -1.654
25 HH12 ARG 3 2HH1 ARG 3 6.613 9.735 -3.308
26 HH21 ARG 3 1HH2 ARG 3 3.228 9.728 -4.186
27 HH22 ARG 3 2HH2 ARG 3 4.847 9.979 -4.747
28 H GLY 4 H GLY 4 0.978 6.350 0.079
29 HA2 GLY 4 2HA GLY 4 -0.890 7.747 1.703
30 HA3 GLY 4 3HA GLY 4 -1.225 7.007 0.144
31 H TRP 5 H TRP 5 0.019 4.527 1.736
32 HA TRP 5 HA TRP 5 -2.551 3.372 2.288
33 HB2 TRP 5 2HB TRP 5 0.278 2.395 2.342
34 HB3 TRP 5 3HB TRP 5 -0.972 1.454 3.150
35 HD1 TRP 5 HD1 TRP 5 -2.127 -0.281 1.671
36 HE1 TRP 5 HE1 TRP 5 -2.414 -0.653 -0.859
37 HE3 TRP 5 HE3 TRP 5 0.115 3.985 -0.035
38 HZ2 TRP 5 HZ2 TRP 5 -1.774 0.685 -3.261
39 HZ3 TRP 5 HZ3 TRP 5 0.236 4.363 -2.463
40 HH2 TRP 5 HH2 TRP 5 -0.689 2.746 -4.041
41 H LYS 6 H LYS 6 -2.036 5.612 3.925
42 HA LYS 6 HA LYS 6 -1.903 4.328 6.574
43 HB2 LYS 6 2HB LYS 6 -0.605 6.794 5.550
44 HB3 LYS 6 3HB LYS 6 -1.247 6.860 7.186
45 HG2 LYS 6 2HG LYS 6 0.718 6.018 7.806
46 HG3 LYS 6 3HG LYS 6 0.110 4.482 7.185
47 HD2 LYS 6 2HD LYS 6 1.103 5.005 4.991
48 HD3 LYS 6 3HD LYS 6 1.750 6.505 5.658
49 HE2 LYS 6 2HE LYS 6 3.570 5.334 6.191
50 HE3 LYS 6 3HE LYS 6 2.594 4.573 7.445
51 HZ1 LYS 6 3HZ LYS 6 2.383 3.437 4.775
52 HZ2 LYS 6 1HZ LYS 6 2.419 2.667 6.281
53 HZ3 LYS 6 2HZ LYS 6 3.857 3.202 5.570
54 H ARG 7 H ARG 7 -2.727 7.645 5.656
55 HA ARG 7 HA ARG 7 -5.229 7.398 7.123
56 HB2 ARG 7 2HB ARG 7 -3.821 9.770 5.893
57 HB3 ARG 7 3HB ARG 7 -5.375 9.873 6.708
58 HG2 ARG 7 2HG ARG 7 -4.469 9.626 8.772
59 HG3 ARG 7 3HG ARG 7 -3.151 8.606 8.193
60 HD2 ARG 7 2HD ARG 7 -2.158 10.637 7.127
61 HD3 ARG 7 3HD ARG 7 -3.402 11.597 7.928
62 HE ARG 7 HE ARG 7 -2.259 10.223 9.964
63 HH11 ARG 7 1HH1 ARG 7 -1.003 12.242 7.421
64 HH12 ARG 7 2HH1 ARG 7 0.346 12.801 8.353
65 HH21 ARG 7 1HH2 ARG 7 -0.487 10.951 11.201
66 HH22 ARG 7 2HH2 ARG 7 0.640 12.065 10.502
67 H LYS 8 H LYS 8 -4.516 9.172 4.127
68 HA LYS 8 HA LYS 8 -7.147 8.659 3.108
69 HB2 LYS 8 2HB LYS 8 -6.437 9.962 1.175
70 HB3 LYS 8 3HB LYS 8 -5.976 10.777 2.664
71 HG2 LYS 8 2HG LYS 8 -3.973 8.986 1.418
72 HG3 LYS 8 3HG LYS 8 -4.322 10.515 0.608
73 HD2 LYS 8 2HD LYS 8 -4.063 11.410 3.115
74 HD3 LYS 8 3HD LYS 8 -3.016 9.992 3.216
75 HE2 LYS 8 2HE LYS 8 -2.660 11.691 0.832
76 HE3 LYS 8 3HE LYS 8 -2.196 12.420 2.369
77 HZ1 LYS 8 3HZ LYS 8 -0.850 10.373 2.776
78 HZ2 LYS 8 1HZ LYS 8 -0.299 11.338 1.500
79 HZ3 LYS 8 2HZ LYS 8 -1.153 9.915 1.176
80 H CYS 9 H CYS 9 -6.122 6.217 3.541
81 HA CYS 9 HA CYS 9 -4.608 4.857 1.782
82 HB2 CYS 9 2HB CYS 9 -6.384 2.975 1.996
83 HB3 CYS 9 3HB CYS 9 -5.574 3.547 3.450
84 HG CYS 9 HG CYS 9 -8.139 3.179 4.261
85 HA PRO 10 HA PRO 10 -6.675 6.058 -2.060
86 HB2 PRO 10 2HB PRO 10 -4.571 5.398 -3.644
87 HB3 PRO 10 3HB PRO 10 -4.666 6.926 -2.759
88 HG2 PRO 10 2HG PRO 10 -3.189 4.418 -2.057
89 HG3 PRO 10 3HG PRO 10 -2.652 6.104 -1.935
90 HD2 PRO 10 2HD PRO 10 -3.539 4.700 0.203
91 HD3 PRO 10 3HD PRO 10 -3.779 6.451 0.045
92 H LEU 11 H LEU 11 -4.866 3.079 -1.426
93 HA LEU 11 HA LEU 11 -6.793 1.639 -3.128
94 HB2 LEU 11 2HB LEU 11 -4.719 1.556 -4.260
95 HB3 LEU 11 3HB LEU 11 -3.840 1.208 -2.773
96 HG LEU 11 HG LEU 11 -5.851 -0.766 -3.749
97 HD11 LEU 11 1HD1 LEU 11 -4.771 -0.619 -5.768
98 HD12 LEU 11 2HD1 LEU 11 -3.764 -1.804 -4.937
99 HD13 LEU 11 3HD1 LEU 11 -3.243 -0.122 -5.041
100 HD21 LEU 11 3HD2 LEU 11 -3.228 -1.611 -2.765
101 HD22 LEU 11 1HD2 LEU 11 -4.843 -2.142 -2.298
102 HD23 LEU 11 2HD2 LEU 11 -4.166 -0.668 -1.606
103 H PHE 12 H PHE 12 -4.856 1.642 -0.203
104 HA PHE 12 HA PHE 12 -5.162 -0.816 0.862
105 HB2 PHE 12 2HB PHE 12 -4.495 1.653 1.874
106 HB3 PHE 12 3HB PHE 12 -5.938 1.245 2.796
107 HD1 PHE 12 HD1 PHE 12 -5.443 -1.794 2.710
108 HD2 PHE 12 HD2 PHE 12 -2.976 1.528 3.705
109 HE1 PHE 12 HE1 PHE 12 -4.096 -3.238 4.178
110 HE2 PHE 12 HE2 PHE 12 -1.624 0.089 5.173
111 HZ PHE 12 HZ PHE 12 -2.183 -2.297 5.411
112 H GLY 13 H GLY 13 -7.613 1.756 1.223
113 HA2 GLY 13 2HA GLY 13 -9.623 -0.383 1.578
114 HA3 GLY 13 3HA GLY 13 -9.681 1.136 2.459
115 H LYS 14 H LYS 14 -8.998 0.561 -0.973
116 HA LYS 14 HA LYS 14 -10.264 2.663 -2.079
117 HB2 LYS 14 2HB LYS 14 -9.402 0.111 -2.992
118 HB3 LYS 14 3HB LYS 14 -10.990 0.414 -3.685
119 HG2 LYS 14 2HG LYS 14 -8.529 2.124 -3.941
120 HG3 LYS 14 3HG LYS 14 -9.344 1.209 -5.212
121 HD2 LYS 14 2HD LYS 14 -11.386 2.653 -4.710
122 HD3 LYS 14 3HD LYS 14 -10.289 3.684 -3.787
123 HE2 LYS 14 2HE LYS 14 -9.055 4.265 -5.690
124 HE3 LYS 14 3HE LYS 14 -9.701 2.920 -6.629
125 HZ1 LYS 14 3HZ LYS 14 -10.582 5.386 -6.897
126 HZ2 LYS 14 1HZ LYS 14 -11.614 4.892 -5.650
127 HZ3 LYS 14 2HZ LYS 14 -11.588 4.043 -7.112
128 H GLY 15 H GLY 15 -11.951 -0.481 -1.945
129 HA2 GLY 15 2HA GLY 15 -14.506 0.908 -2.046
130 HA3 GLY 15 3HA GLY 15 -14.256 -0.827 -2.160
131 H GLY 16 H GLY 16 -14.574 -2.061 -0.394
132 HA2 GLY 16 2HA GLY 16 -14.119 -1.729 2.205
133 HA3 GLY 16 3HA GLY 16 -15.533 -0.706 2.001
Start of MODEL 14
1 H1 VAL 1 H VAL 1 1.633 0.483 0.856
2 HA VAL 1 HA VAL 1 2.744 -1.335 -0.945
3 HB VAL 1 HB VAL 1 0.759 0.519 -2.270
4 HG11 VAL 1 1HG1 VAL 1 1.827 -1.595 -3.911
5 HG12 VAL 1 2HG1 VAL 1 1.822 0.148 -4.188
6 HG13 VAL 1 3HG1 VAL 1 3.122 -0.594 -3.256
7 HG21 VAL 1 3HG2 VAL 1 0.685 -2.491 -2.150
8 HG22 VAL 1 1HG2 VAL 1 -0.238 -1.444 -1.072
9 HG23 VAL 1 2HG2 VAL 1 -0.540 -1.407 -2.809
10 H ALA 2 H ALA 2 1.773 2.078 -0.697
11 HA ALA 2 HA ALA 2 4.563 2.818 -1.303
12 HB1 ALA 2 1HB ALA 2 3.127 3.501 -3.120
13 HB2 ALA 2 2HB ALA 2 2.045 4.324 -1.996
14 HB3 ALA 2 3HB ALA 2 3.685 4.924 -2.240
15 H ARG 3 H ARG 3 2.685 5.479 -0.600
16 HA ARG 3 HA ARG 3 3.477 5.423 2.238
17 HB2 ARG 3 2HB ARG 3 3.564 7.738 0.298
18 HB3 ARG 3 3HB ARG 3 3.782 7.904 2.035
19 HG2 ARG 3 2HG ARG 3 5.931 7.430 1.836
20 HG3 ARG 3 3HG ARG 3 5.545 5.881 1.084
21 HD2 ARG 3 2HD ARG 3 6.983 7.275 -0.340
22 HD3 ARG 3 3HD ARG 3 5.426 6.933 -1.094
23 HE ARG 3 HE ARG 3 5.302 9.383 0.299
24 HH11 ARG 3 1HH1 ARG 3 6.669 7.949 -2.564
25 HH12 ARG 3 2HH1 ARG 3 6.695 9.435 -3.454
26 HH21 ARG 3 1HH2 ARG 3 5.331 11.345 -0.862
27 HH22 ARG 3 2HH2 ARG 3 5.935 11.367 -2.485
28 H GLY 4 H GLY 4 1.095 6.343 -0.148
29 HA2 GLY 4 2HA GLY 4 -0.624 7.770 1.619
30 HA3 GLY 4 3HA GLY 4 -1.063 7.120 0.046
31 H TRP 5 H TRP 5 0.135 4.520 1.492
32 HA TRP 5 HA TRP 5 -2.459 3.444 2.079
33 HB2 TRP 5 2HB TRP 5 0.332 2.369 2.017
34 HB3 TRP 5 3HB TRP 5 -0.918 1.449 2.850
35 HD1 TRP 5 HD1 TRP 5 -2.154 -0.228 1.373
36 HE1 TRP 5 HE1 TRP 5 -2.559 -0.521 -1.152
37 HE3 TRP 5 HE3 TRP 5 0.091 4.045 -0.309
38 HZ2 TRP 5 HZ2 TRP 5 -2.001 0.875 -3.541
39 HZ3 TRP 5 HZ3 TRP 5 0.113 4.492 -2.729
40 HH2 TRP 5 HH2 TRP 5 -0.911 2.939 -4.310
41 H LYS 6 H LYS 6 -1.764 5.619 3.774
42 HA LYS 6 HA LYS 6 -1.670 4.240 6.377
43 HB2 LYS 6 2HB LYS 6 -0.229 6.652 5.412
44 HB3 LYS 6 3HB LYS 6 -0.824 6.689 7.066
45 HG2 LYS 6 2HG LYS 6 1.098 5.697 7.593
46 HG3 LYS 6 3HG LYS 6 0.369 4.231 6.933
47 HD2 LYS 6 2HD LYS 6 1.303 4.912 4.694
48 HD3 LYS 6 3HD LYS 6 2.205 6.172 5.539
49 HE2 LYS 6 2HE LYS 6 3.311 4.476 6.900
50 HE3 LYS 6 3HE LYS 6 2.387 3.210 6.091
51 HZ1 LYS 6 3HZ LYS 6 3.492 3.642 4.062
52 HZ2 LYS 6 1HZ LYS 6 4.698 3.556 5.246
53 HZ3 LYS 6 2HZ LYS 6 4.202 5.060 4.651
54 H ARG 7 H ARG 7 -2.273 7.637 5.596
55 HA ARG 7 HA ARG 7 -4.754 7.519 7.109
56 HB2 ARG 7 2HB ARG 7 -3.004 9.713 6.072
57 HB3 ARG 7 3HB ARG 7 -4.679 10.069 6.472
58 HG2 ARG 7 2HG ARG 7 -4.367 9.541 8.735
59 HG3 ARG 7 3HG ARG 7 -2.837 8.720 8.417
60 HD2 ARG 7 2HD ARG 7 -1.694 10.726 8.082
61 HD3 ARG 7 3HD ARG 7 -3.180 11.635 7.813
62 HE ARG 7 HE ARG 7 -1.943 11.043 10.337
63 HH11 ARG 7 1HH1 ARG 7 -4.932 11.819 8.729
64 HH12 ARG 7 2HH1 ARG 7 -5.674 12.483 10.146
65 HH21 ARG 7 1HH2 ARG 7 -2.909 11.915 12.210
66 HH22 ARG 7 2HH2 ARG 7 -4.522 12.538 12.126
67 H LYS 8 H LYS 8 -3.998 9.318 4.139
68 HA LYS 8 HA LYS 8 -6.681 9.017 3.177
69 HB2 LYS 8 2HB LYS 8 -5.923 10.301 1.249
70 HB3 LYS 8 3HB LYS 8 -5.370 11.051 2.741
71 HG2 LYS 8 2HG LYS 8 -3.534 9.145 1.411
72 HG3 LYS 8 3HG LYS 8 -3.785 10.715 0.645
73 HD2 LYS 8 2HD LYS 8 -3.406 11.523 3.169
74 HD3 LYS 8 3HD LYS 8 -2.459 10.033 3.204
75 HE2 LYS 8 2HE LYS 8 -0.798 11.247 2.336
76 HE3 LYS 8 3HE LYS 8 -1.707 11.197 0.826
77 HZ1 LYS 8 3HZ LYS 8 -0.952 13.457 1.839
78 HZ2 LYS 8 1HZ LYS 8 -2.338 13.281 2.794
79 HZ3 LYS 8 2HZ LYS 8 -2.471 13.319 1.108
80 H CYS 9 H CYS 9 -5.853 6.497 3.532
81 HA CYS 9 HA CYS 9 -4.483 5.059 1.718
82 HB2 CYS 9 2HB CYS 9 -7.200 4.433 2.879
83 HB3 CYS 9 3HB CYS 9 -6.248 3.264 1.972
84 HG CYS 9 HG CYS 9 -6.135 2.891 4.829
85 HA PRO 10 HA PRO 10 -6.515 6.511 -2.057
86 HB2 PRO 10 2HB PRO 10 -4.493 5.736 -3.693
87 HB3 PRO 10 3HB PRO 10 -4.458 7.244 -2.772
88 HG2 PRO 10 2HG PRO 10 -3.163 4.617 -2.155
89 HG3 PRO 10 3HG PRO 10 -2.499 6.254 -2.004
90 HD2 PRO 10 2HD PRO 10 -3.454 4.868 0.117
91 HD3 PRO 10 3HD PRO 10 -3.564 6.636 0.004
92 H LEU 11 H LEU 11 -4.886 3.396 -1.575
93 HA LEU 11 HA LEU 11 -6.971 2.141 -3.236
94 HB2 LEU 11 2HB LEU 11 -4.994 1.927 -4.480
95 HB3 LEU 11 3HB LEU 11 -4.034 1.564 -3.047
96 HG LEU 11 HG LEU 11 -6.165 -0.352 -3.870
97 HD11 LEU 11 1HD1 LEU 11 -4.221 -1.473 -5.194
98 HD12 LEU 11 2HD1 LEU 11 -3.614 0.177 -5.327
99 HD13 LEU 11 3HD1 LEU 11 -5.209 -0.229 -5.961
100 HD21 LEU 11 3HD2 LEU 11 -4.330 -0.290 -1.849
101 HD22 LEU 11 1HD2 LEU 11 -3.513 -1.279 -3.058
102 HD23 LEU 11 2HD2 LEU 11 -5.109 -1.745 -2.471
103 H PHE 12 H PHE 12 -4.882 1.879 -0.420
104 HA PHE 12 HA PHE 12 -5.306 -0.571 0.588
105 HB2 PHE 12 2HB PHE 12 -4.480 1.830 1.655
106 HB3 PHE 12 3HB PHE 12 -5.903 1.453 2.621
107 HD1 PHE 12 HD1 PHE 12 -5.531 -1.609 2.372
108 HD2 PHE 12 HD2 PHE 12 -2.920 1.576 3.449
109 HE1 PHE 12 HE1 PHE 12 -4.195 -3.167 3.730
110 HE2 PHE 12 HE2 PHE 12 -1.580 0.023 4.808
111 HZ PHE 12 HZ PHE 12 -2.217 -2.352 4.949
112 H GLY 13 H GLY 13 -7.583 2.109 1.225
113 HA2 GLY 13 2HA GLY 13 -9.704 0.069 1.508
114 HA3 GLY 13 3HA GLY 13 -9.632 1.520 2.498
115 H LYS 14 H LYS 14 -9.016 1.328 -0.969
116 HA LYS 14 HA LYS 14 -10.343 3.547 -1.768
117 HB2 LYS 14 2HB LYS 14 -10.669 2.448 -3.969
118 HB3 LYS 14 3HB LYS 14 -9.048 2.230 -3.325
119 HG2 LYS 14 2HG LYS 14 -9.387 0.093 -3.916
120 HG3 LYS 14 3HG LYS 14 -10.237 0.011 -2.371
121 HD2 LYS 14 2HD LYS 14 -12.031 -0.659 -3.511
122 HD3 LYS 14 3HD LYS 14 -12.132 0.979 -4.161
123 HE2 LYS 14 2HE LYS 14 -10.245 -0.888 -5.477
124 HE3 LYS 14 3HE LYS 14 -11.966 -1.190 -5.712
125 HZ1 LYS 14 3HZ LYS 14 -11.788 1.461 -6.133
126 HZ2 LYS 14 1HZ LYS 14 -11.760 0.290 -7.355
127 HZ3 LYS 14 2HZ LYS 14 -10.310 0.926 -6.760
128 H GLY 15 H GLY 15 -11.787 0.384 -1.137
129 HA2 GLY 15 2HA GLY 15 -14.449 1.611 -1.500
130 HA3 GLY 15 3HA GLY 15 -14.110 -0.098 -1.729
131 H GLY 16 H GLY 16 -14.286 -1.466 -0.032
132 HA2 GLY 16 2HA GLY 16 -13.892 -1.011 2.636
133 HA3 GLY 16 3HA GLY 16 -15.539 -0.470 2.350
Start of MODEL 15
1 H1 VAL 1 H VAL 1 1.389 0.142 1.432
2 HA VAL 1 HA VAL 1 2.952 -1.228 0.268
3 HB VAL 1 HB VAL 1 2.813 -1.412 -2.209
4 HG11 VAL 1 1HG1 VAL 1 0.370 -2.301 -0.680
5 HG12 VAL 1 2HG1 VAL 1 0.888 -2.946 -2.239
6 HG13 VAL 1 3HG1 VAL 1 1.899 -3.169 -0.811
7 HG21 VAL 1 3HG2 VAL 1 1.534 0.006 -3.346
8 HG22 VAL 1 1HG2 VAL 1 0.108 -0.750 -2.634
9 HG23 VAL 1 2HG2 VAL 1 0.853 0.642 -1.848
10 H ALA 2 H ALA 2 1.748 1.913 -0.674
11 HA ALA 2 HA ALA 2 4.486 2.745 -1.370
12 HB1 ALA 2 1HB ALA 2 2.906 3.067 -3.182
13 HB2 ALA 2 2HB ALA 2 1.855 4.010 -2.125
14 HB3 ALA 2 3HB ALA 2 3.448 4.626 -2.562
15 H ARG 3 H ARG 3 2.483 5.370 -0.955
16 HA ARG 3 HA ARG 3 3.375 5.755 1.828
17 HB2 ARG 3 2HB ARG 3 3.190 7.856 -0.339
18 HB3 ARG 3 3HB ARG 3 3.664 8.141 1.330
19 HG2 ARG 3 2HG ARG 3 5.730 7.206 1.052
20 HG3 ARG 3 3HG ARG 3 5.196 6.148 -0.255
21 HD2 ARG 3 2HD ARG 3 4.814 8.535 -1.421
22 HD3 ARG 3 3HD ARG 3 6.140 8.947 -0.335
23 HE ARG 3 HE ARG 3 6.283 7.337 -2.695
24 HH11 ARG 3 1HH1 ARG 3 7.701 7.902 0.434
25 HH12 ARG 3 2HH1 ARG 3 9.248 7.258 -0.007
26 HH21 ARG 3 1HH2 ARG 3 8.315 6.486 -3.287
27 HH22 ARG 3 2HH2 ARG 3 9.597 6.454 -2.124
28 H GLY 4 H GLY 4 0.899 6.346 -0.595
29 HA2 GLY 4 2HA GLY 4 -0.836 7.850 1.088
30 HA3 GLY 4 3HA GLY 4 -1.281 7.062 -0.418
31 H TRP 5 H TRP 5 0.021 4.615 1.177
32 HA TRP 5 HA TRP 5 -2.524 3.522 1.925
33 HB2 TRP 5 2HB TRP 5 0.291 2.512 1.850
34 HB3 TRP 5 3HB TRP 5 -0.911 1.622 2.781
35 HD1 TRP 5 HD1 TRP 5 -2.155 -0.176 1.459
36 HE1 TRP 5 HE1 TRP 5 -2.619 -0.653 -1.027
37 HE3 TRP 5 HE3 TRP 5 -0.044 4.011 -0.578
38 HZ2 TRP 5 HZ2 TRP 5 -2.151 0.581 -3.522
39 HZ3 TRP 5 HZ3 TRP 5 -0.094 4.286 -3.023
40 HH2 TRP 5 HH2 TRP 5 -1.125 2.606 -4.463
41 H LYS 6 H LYS 6 -1.790 5.836 3.436
42 HA LYS 6 HA LYS 6 -1.608 4.645 6.126
43 HB2 LYS 6 2HB LYS 6 -0.313 7.099 4.998
44 HB3 LYS 6 3HB LYS 6 -0.714 7.042 6.710
45 HG2 LYS 6 2HG LYS 6 0.946 5.610 7.183
46 HG3 LYS 6 3HG LYS 6 0.713 4.685 5.698
47 HD2 LYS 6 2HD LYS 6 2.347 5.790 4.654
48 HD3 LYS 6 3HD LYS 6 1.713 7.355 5.166
49 HE2 LYS 6 2HE LYS 6 3.111 7.487 6.933
50 HE3 LYS 6 3HE LYS 6 3.012 5.760 7.273
51 HZ1 LYS 6 3HZ LYS 6 5.232 6.580 6.506
52 HZ2 LYS 6 1HZ LYS 6 4.541 6.871 4.990
53 HZ3 LYS 6 2HZ LYS 6 4.599 5.297 5.604
54 H ARG 7 H ARG 7 -2.271 7.971 5.116
55 HA ARG 7 HA ARG 7 -4.678 7.971 6.737
56 HB2 ARG 7 2HB ARG 7 -2.910 10.012 5.534
57 HB3 ARG 7 3HB ARG 7 -4.610 10.447 5.646
58 HG2 ARG 7 2HG ARG 7 -3.411 11.235 7.588
59 HG3 ARG 7 3HG ARG 7 -4.561 9.979 8.052
60 HD2 ARG 7 2HD ARG 7 -2.744 8.333 8.064
61 HD3 ARG 7 3HD ARG 7 -1.601 9.598 7.617
62 HE ARG 7 HE ARG 7 -2.979 10.328 9.969
63 HH11 ARG 7 1HH1 ARG 7 -0.526 8.143 8.817
64 HH12 ARG 7 2HH1 ARG 7 0.290 8.048 10.342
65 HH21 ARG 7 1HH2 ARG 7 -1.913 10.211 11.982
66 HH22 ARG 7 2HH2 ARG 7 -0.500 9.224 12.142
67 H LYS 8 H LYS 8 -4.174 9.543 3.601
68 HA LYS 8 HA LYS 8 -6.880 9.015 2.816
69 HB2 LYS 8 2HB LYS 8 -4.675 10.038 1.033
70 HB3 LYS 8 3HB LYS 8 -6.406 10.301 0.871
71 HG2 LYS 8 2HG LYS 8 -4.796 11.341 3.187
72 HG3 LYS 8 3HG LYS 8 -5.075 12.259 1.705
73 HD2 LYS 8 2HD LYS 8 -7.427 12.289 2.072
74 HD3 LYS 8 3HD LYS 8 -7.300 11.118 3.386
75 HE2 LYS 8 2HE LYS 8 -6.732 12.688 4.891
76 HE3 LYS 8 3HE LYS 8 -5.688 13.540 3.754
77 HZ1 LYS 8 3HZ LYS 8 -7.702 14.788 4.518
78 HZ2 LYS 8 1HZ LYS 8 -8.646 13.687 3.646
79 HZ3 LYS 8 2HZ LYS 8 -7.530 14.670 2.840
80 H CYS 9 H CYS 9 -6.038 6.577 3.261
81 HA CYS 9 HA CYS 9 -4.622 5.073 1.520
82 HB2 CYS 9 2HB CYS 9 -7.296 4.432 2.769
83 HB3 CYS 9 3HB CYS 9 -6.318 3.240 1.921
84 HG CYS 9 HG CYS 9 -6.266 3.575 4.980
85 HA PRO 10 HA PRO 10 -6.756 6.205 -2.303
86 HB2 PRO 10 2HB PRO 10 -4.750 5.356 -3.923
87 HB3 PRO 10 3HB PRO 10 -4.729 6.925 -3.109
88 HG2 PRO 10 2HG PRO 10 -3.368 4.372 -2.338
89 HG3 PRO 10 3HG PRO 10 -2.736 6.029 -2.314
90 HD2 PRO 10 2HD PRO 10 -3.622 4.775 -0.084
91 HD3 PRO 10 3HD PRO 10 -3.770 6.529 -0.316
92 H LEU 11 H LEU 11 -5.042 3.164 -1.659
93 HA LEU 11 HA LEU 11 -7.144 1.756 -3.169
94 HB2 LEU 11 2HB LEU 11 -5.205 1.502 -4.461
95 HB3 LEU 11 3HB LEU 11 -4.188 1.265 -3.042
96 HG LEU 11 HG LEU 11 -6.289 -0.760 -3.653
97 HD11 LEU 11 1HD1 LEU 11 -4.385 -1.923 -4.978
98 HD12 LEU 11 2HD1 LEU 11 -3.795 -0.280 -5.228
99 HD13 LEU 11 3HD1 LEU 11 -5.406 -0.733 -5.785
100 HD21 LEU 11 3HD2 LEU 11 -3.574 -1.539 -2.875
101 HD22 LEU 11 1HD2 LEU 11 -5.134 -2.034 -2.216
102 HD23 LEU 11 2HD2 LEU 11 -4.403 -0.513 -1.704
103 H PHE 12 H PHE 12 -4.974 1.737 -0.405
104 HA PHE 12 HA PHE 12 -5.295 -0.651 0.773
105 HB2 PHE 12 2HB PHE 12 -4.513 1.835 1.657
106 HB3 PHE 12 3HB PHE 12 -5.902 1.489 2.681
107 HD1 PHE 12 HD1 PHE 12 -5.446 -1.575 2.623
108 HD2 PHE 12 HD2 PHE 12 -2.912 1.747 3.433
109 HE1 PHE 12 HE1 PHE 12 -4.038 -3.002 4.050
110 HE2 PHE 12 HE2 PHE 12 -1.499 0.326 4.860
111 HZ PHE 12 HZ PHE 12 -2.061 -2.052 5.170
112 H GLY 13 H GLY 13 -7.638 1.996 1.293
113 HA2 GLY 13 2HA GLY 13 -9.686 -0.081 1.771
114 HA3 GLY 13 3HA GLY 13 -9.634 1.435 2.659
115 H LYS 14 H LYS 14 -9.101 1.026 -0.803
116 HA LYS 14 HA LYS 14 -10.506 3.143 -1.721
117 HB2 LYS 14 2HB LYS 14 -9.188 1.375 -3.037
118 HB3 LYS 14 3HB LYS 14 -10.703 0.486 -3.126
119 HG2 LYS 14 2HG LYS 14 -11.469 1.776 -4.764
120 HG3 LYS 14 3HG LYS 14 -11.025 3.256 -3.911
121 HD2 LYS 14 2HD LYS 14 -9.570 3.483 -5.624
122 HD3 LYS 14 3HD LYS 14 -8.584 2.384 -4.657
123 HE2 LYS 14 2HE LYS 14 -10.209 0.673 -6.063
124 HE3 LYS 14 3HE LYS 14 -9.902 1.960 -7.227
125 HZ1 LYS 14 3HZ LYS 14 -7.796 1.318 -7.474
126 HZ2 LYS 14 1HZ LYS 14 -8.251 -0.125 -6.716
127 HZ3 LYS 14 2HZ LYS 14 -7.548 1.120 -5.813
128 H GLY 15 H GLY 15 -11.979 -0.109 -1.783
129 HA2 GLY 15 2HA GLY 15 -14.623 1.042 -1.888
130 HA3 GLY 15 3HA GLY 15 -14.228 -0.670 -1.878
131 H GLY 16 H GLY 16 -13.635 -1.638 0.200
132 HA2 GLY 16 2HA GLY 16 -13.571 -0.850 2.688
133 HA3 GLY 16 3HA GLY 16 -15.246 -0.446 2.342
Start of MODEL 16
1 H1 VAL 1 H VAL 1 0.575 -0.631 0.303
2 HA VAL 1 HA VAL 1 2.829 -1.731 -0.914
3 HB VAL 1 HB VAL 1 0.834 0.171 -2.152
4 HG11 VAL 1 1HG1 VAL 1 1.477 -0.805 -4.270
5 HG12 VAL 1 2HG1 VAL 1 2.899 -0.137 -3.467
6 HG13 VAL 1 3HG1 VAL 1 2.618 -1.878 -3.461
7 HG21 VAL 1 3HG2 VAL 1 -0.671 -1.472 -2.156
8 HG22 VAL 1 1HG2 VAL 1 0.504 -2.632 -2.777
9 HG23 VAL 1 2HG2 VAL 1 0.384 -2.341 -1.042
10 H ALA 2 H ALA 2 1.875 1.692 -0.658
11 HA ALA 2 HA ALA 2 4.686 2.412 -1.181
12 HB1 ALA 2 1HB ALA 2 3.850 4.520 -2.155
13 HB2 ALA 2 2HB ALA 2 3.313 3.096 -3.046
14 HB3 ALA 2 3HB ALA 2 2.199 3.929 -1.961
15 H ARG 3 H ARG 3 2.795 5.085 -0.549
16 HA ARG 3 HA ARG 3 3.504 5.042 2.311
17 HB2 ARG 3 2HB ARG 3 3.846 7.507 2.120
18 HB3 ARG 3 3HB ARG 3 5.004 6.555 1.201
19 HG2 ARG 3 2HG ARG 3 4.521 7.868 -0.522
20 HG3 ARG 3 3HG ARG 3 2.972 7.027 -0.606
21 HD2 ARG 3 2HD ARG 3 1.970 8.694 0.856
22 HD3 ARG 3 3HD ARG 3 3.523 9.516 1.006
23 HE ARG 3 HE ARG 3 1.658 9.771 -1.127
24 HH11 ARG 3 1HH1 ARG 3 5.060 9.772 -0.389
25 HH12 ARG 3 2HH1 ARG 3 5.485 10.774 -1.738
26 HH21 ARG 3 1HH2 ARG 3 2.205 11.090 -2.906
27 HH22 ARG 3 2HH2 ARG 3 3.860 11.523 -3.168
28 H GLY 4 H GLY 4 1.198 5.968 -0.150
29 HA2 GLY 4 2HA GLY 4 -0.569 7.419 1.536
30 HA3 GLY 4 3HA GLY 4 -0.971 6.720 -0.025
31 H TRP 5 H TRP 5 0.178 4.150 1.478
32 HA TRP 5 HA TRP 5 -2.435 3.125 2.089
33 HB2 TRP 5 2HB TRP 5 0.336 1.990 2.032
34 HB3 TRP 5 3HB TRP 5 -0.947 1.098 2.845
35 HD1 TRP 5 HD1 TRP 5 -2.251 -0.513 1.347
36 HE1 TRP 5 HE1 TRP 5 -2.614 -0.794 -1.186
37 HE3 TRP 5 HE3 TRP 5 0.229 3.646 -0.294
38 HZ2 TRP 5 HZ2 TRP 5 -1.938 0.568 -3.564
39 HZ3 TRP 5 HZ3 TRP 5 0.325 4.084 -2.713
40 HH2 TRP 5 HH2 TRP 5 -0.736 2.575 -4.313
41 H LYS 6 H LYS 6 -1.759 5.288 3.759
42 HA LYS 6 HA LYS 6 -1.595 3.933 6.371
43 HB2 LYS 6 2HB LYS 6 -0.146 6.280 5.333
44 HB3 LYS 6 3HB LYS 6 -0.825 6.486 6.942
45 HG2 LYS 6 2HG LYS 6 0.856 5.348 7.815
46 HG3 LYS 6 3HG LYS 6 0.444 3.945 6.827
47 HD2 LYS 6 2HD LYS 6 1.949 4.511 5.163
48 HD3 LYS 6 3HD LYS 6 1.967 6.216 5.619
49 HE2 LYS 6 2HE LYS 6 3.088 5.480 7.771
50 HE3 LYS 6 3HE LYS 6 3.292 3.902 7.013
51 HZ1 LYS 6 3HZ LYS 6 5.177 5.625 6.845
52 HZ2 LYS 6 1HZ LYS 6 4.225 6.335 5.640
53 HZ3 LYS 6 2HZ LYS 6 4.760 4.740 5.464
54 H ARG 7 H ARG 7 -2.298 7.302 5.537
55 HA ARG 7 HA ARG 7 -4.752 7.142 7.096
56 HB2 ARG 7 2HB ARG 7 -3.098 9.390 5.996
57 HB3 ARG 7 3HB ARG 7 -4.755 9.681 6.509
58 HG2 ARG 7 2HG ARG 7 -4.197 9.666 8.662
59 HG3 ARG 7 3HG ARG 7 -3.223 8.205 8.485
60 HD2 ARG 7 2HD ARG 7 -1.302 9.361 8.201
61 HD3 ARG 7 3HD ARG 7 -2.092 10.658 7.305
62 HE ARG 7 HE ARG 7 -1.519 10.612 10.093
63 HH11 ARG 7 1HH1 ARG 7 -3.814 11.755 7.737
64 HH12 ARG 7 2HH1 ARG 7 -4.337 13.093 8.705
65 HH21 ARG 7 1HH2 ARG 7 -2.200 12.371 11.376
66 HH22 ARG 7 2HH2 ARG 7 -3.418 13.443 10.774
67 H LYS 8 H LYS 8 -4.066 8.954 4.117
68 HA LYS 8 HA LYS 8 -6.751 8.577 3.181
69 HB2 LYS 8 2HB LYS 8 -6.057 9.903 1.259
70 HB3 LYS 8 3HB LYS 8 -5.510 10.657 2.750
71 HG2 LYS 8 2HG LYS 8 -3.629 8.820 1.386
72 HG3 LYS 8 3HG LYS 8 -3.943 10.383 0.628
73 HD2 LYS 8 2HD LYS 8 -3.557 11.203 3.144
74 HD3 LYS 8 3HD LYS 8 -2.568 9.741 3.173
75 HE2 LYS 8 2HE LYS 8 -0.986 10.658 1.881
76 HE3 LYS 8 3HE LYS 8 -2.169 11.360 0.779
77 HZ1 LYS 8 3HZ LYS 8 -2.515 12.945 2.853
78 HZ2 LYS 8 1HZ LYS 8 -1.346 13.253 1.669
79 HZ3 LYS 8 2HZ LYS 8 -0.899 12.527 3.130
80 H CYS 9 H CYS 9 -5.805 6.085 3.516
81 HA CYS 9 HA CYS 9 -4.413 4.713 1.671
82 HB2 CYS 9 2HB CYS 9 -6.262 2.901 1.897
83 HB3 CYS 9 3HB CYS 9 -5.375 3.395 3.334
84 HG CYS 9 HG CYS 9 -7.354 4.769 4.518
85 HA PRO 10 HA PRO 10 -6.558 6.103 -2.064
86 HB2 PRO 10 2HB PRO 10 -4.534 5.411 -3.736
87 HB3 PRO 10 3HB PRO 10 -4.541 6.915 -2.807
88 HG2 PRO 10 2HG PRO 10 -3.139 4.335 -2.224
89 HG3 PRO 10 3HG PRO 10 -2.534 5.995 -2.075
90 HD2 PRO 10 2HD PRO 10 -3.403 4.564 0.054
91 HD3 PRO 10 3HD PRO 10 -3.581 6.328 -0.048
92 H LEU 11 H LEU 11 -4.869 3.037 -1.542
93 HA LEU 11 HA LEU 11 -6.885 1.724 -3.242
94 HB2 LEU 11 2HB LEU 11 -4.809 1.597 -4.393
95 HB3 LEU 11 3HB LEU 11 -3.955 1.117 -2.927
96 HG LEU 11 HG LEU 11 -6.092 -0.667 -3.998
97 HD11 LEU 11 1HD1 LEU 11 -3.461 -0.113 -5.272
98 HD12 LEU 11 2HD1 LEU 11 -5.011 -0.519 -6.008
99 HD13 LEU 11 3HD1 LEU 11 -4.051 -1.775 -5.227
100 HD21 LEU 11 3HD2 LEU 11 -4.393 -0.786 -1.860
101 HD22 LEU 11 1HD2 LEU 11 -3.540 -1.746 -3.069
102 HD23 LEU 11 2HD2 LEU 11 -5.189 -2.171 -2.609
103 H PHE 12 H PHE 12 -4.879 1.549 -0.363
104 HA PHE 12 HA PHE 12 -5.300 -0.912 0.651
105 HB2 PHE 12 2HB PHE 12 -4.483 1.500 1.706
106 HB3 PHE 12 3HB PHE 12 -5.915 1.128 2.660
107 HD1 PHE 12 HD2 PHE 12 -5.564 -1.926 2.474
108 HD2 PHE 12 HD1 PHE 12 -2.914 1.250 3.479
109 HE1 PHE 12 HE2 PHE 12 -4.240 -3.472 3.856
110 HE2 PHE 12 HE1 PHE 12 -1.585 -0.291 4.862
111 HZ PHE 12 HZ PHE 12 -2.248 -2.655 5.053
112 H GLY 13 H GLY 13 -7.591 1.782 1.161
113 HA2 GLY 13 2HA GLY 13 -9.711 -0.252 1.491
114 HA3 GLY 13 3HA GLY 13 -9.658 1.233 2.430
115 H LYS 14 H LYS 14 -9.366 0.441 -1.036
116 HA LYS 14 HA LYS 14 -10.299 2.675 -2.194
117 HB2 LYS 14 2HB LYS 14 -10.893 -0.194 -2.886
118 HB3 LYS 14 3HB LYS 14 -11.461 1.131 -3.894
119 HG2 LYS 14 2HG LYS 14 -8.572 0.693 -3.177
120 HG3 LYS 14 3HG LYS 14 -9.331 0.080 -4.647
121 HD2 LYS 14 2HD LYS 14 -9.226 2.988 -3.848
122 HD3 LYS 14 3HD LYS 14 -8.118 2.216 -4.985
123 HE2 LYS 14 2HE LYS 14 -10.820 1.620 -5.723
124 HE3 LYS 14 3HE LYS 14 -10.639 3.362 -5.515
125 HZ1 LYS 14 3HZ LYS 14 -9.716 3.403 -7.514
126 HZ2 LYS 14 1HZ LYS 14 -9.713 1.715 -7.623
127 HZ3 LYS 14 2HZ LYS 14 -8.408 2.518 -6.908
128 H GLY 15 H GLY 15 -12.642 0.033 -1.755
129 HA2 GLY 15 2HA GLY 15 -14.909 1.649 -1.941
130 HA3 GLY 15 3HA GLY 15 -14.866 0.060 -1.192
131 H GLY 16 H GLY 16 -13.637 0.177 1.055
132 HA2 GLY 16 2HA GLY 16 -13.306 1.957 2.867
133 HA3 GLY 16 3HA GLY 16 -14.994 2.328 2.546
Start of MODEL 17
1 H1 VAL 1 H VAL 1 1.993 -0.831 0.998
2 HA VAL 1 HA VAL 1 2.660 -1.809 -1.121
3 HB VAL 1 HB VAL 1 0.628 0.109 -2.272
4 HG11 VAL 1 1HG1 VAL 1 1.520 -1.885 -4.105
5 HG12 VAL 1 2HG1 VAL 1 1.646 -0.130 -4.230
6 HG13 VAL 1 3HG1 VAL 1 2.924 -1.053 -3.438
7 HG21 VAL 1 3HG2 VAL 1 0.541 -2.895 -2.357
8 HG22 VAL 1 1HG2 VAL 1 -0.225 -1.963 -1.071
9 HG23 VAL 1 2HG2 VAL 1 -0.742 -1.749 -2.743
10 H ALA 2 H ALA 2 1.799 1.638 -0.862
11 HA ALA 2 HA ALA 2 4.590 2.286 -1.562
12 HB1 ALA 2 1HB ALA 2 3.734 4.410 -2.500
13 HB2 ALA 2 2HB ALA 2 3.140 2.985 -3.353
14 HB3 ALA 2 3HB ALA 2 2.089 3.836 -2.221
15 H ARG 3 H ARG 3 2.750 4.988 -0.836
16 HA ARG 3 HA ARG 3 3.670 4.979 1.964
17 HB2 ARG 3 2HB ARG 3 4.060 7.404 1.749
18 HB3 ARG 3 3HB ARG 3 5.067 6.471 0.650
19 HG2 ARG 3 2HG ARG 3 2.872 6.996 -0.890
20 HG3 ARG 3 3HG ARG 3 3.014 8.462 0.083
21 HD2 ARG 3 2HD ARG 3 5.616 7.929 -0.664
22 HD3 ARG 3 3HD ARG 3 4.683 7.491 -2.095
23 HE ARG 3 HE ARG 3 3.946 10.036 -0.995
24 HH11 ARG 3 1HH1 ARG 3 6.174 8.377 -3.094
25 HH12 ARG 3 2HH1 ARG 3 6.539 9.785 -4.035
26 HH21 ARG 3 1HH2 ARG 3 4.419 11.897 -2.227
27 HH22 ARG 3 2HH2 ARG 3 5.541 11.787 -3.540
28 H GLY 4 H GLY 4 1.203 5.934 -0.336
29 HA2 GLY 4 2HA GLY 4 -0.438 7.376 1.473
30 HA3 GLY 4 3HA GLY 4 -0.952 6.683 -0.057
31 H TRP 5 H TRP 5 0.270 4.093 1.322
32 HA TRP 5 HA TRP 5 -2.297 3.096 2.140
33 HB2 TRP 5 2HB TRP 5 0.444 1.917 1.847
34 HB3 TRP 5 3HB TRP 5 -0.797 1.032 2.731
35 HD1 TRP 5 HD1 TRP 5 -2.254 -0.509 1.299
36 HE1 TRP 5 HE1 TRP 5 -2.794 -0.731 -1.207
37 HE3 TRP 5 HE3 TRP 5 0.231 3.609 -0.434
38 HZ2 TRP 5 HZ2 TRP 5 -2.240 0.656 -3.603
39 HZ3 TRP 5 HZ3 TRP 5 0.177 4.090 -2.847
40 HH2 TRP 5 HH2 TRP 5 -1.033 2.642 -4.397
41 H LYS 6 H LYS 6 -1.389 5.232 3.769
42 HA LYS 6 HA LYS 6 -1.046 3.836 6.342
43 HB2 LYS 6 2HB LYS 6 0.966 5.034 6.012
44 HB3 LYS 6 3HB LYS 6 0.120 6.443 5.387
45 HG2 LYS 6 2HG LYS 6 -0.772 5.878 8.050
46 HG3 LYS 6 3HG LYS 6 0.990 5.980 8.008
47 HD2 LYS 6 2HD LYS 6 -0.326 8.066 6.448
48 HD3 LYS 6 3HD LYS 6 -0.743 8.110 8.163
49 HE2 LYS 6 2HE LYS 6 1.639 8.125 8.735
50 HE3 LYS 6 3HE LYS 6 2.050 8.085 7.021
51 HZ1 LYS 6 3HZ LYS 6 0.825 10.277 8.570
52 HZ2 LYS 6 1HZ LYS 6 0.656 10.207 6.888
53 HZ3 LYS 6 2HZ LYS 6 2.196 10.316 7.579
54 H ARG 7 H ARG 7 -1.792 7.210 5.531
55 HA ARG 7 HA ARG 7 -4.094 7.080 7.322
56 HB2 ARG 7 2HB ARG 7 -2.159 9.046 6.753
57 HB3 ARG 7 3HB ARG 7 -3.681 9.671 6.134
58 HG2 ARG 7 2HG ARG 7 -3.276 10.382 8.431
59 HG3 ARG 7 3HG ARG 7 -4.715 9.369 8.310
60 HD2 ARG 7 2HD ARG 7 -3.864 8.055 9.885
61 HD3 ARG 7 3HD ARG 7 -2.569 7.622 8.770
62 HE ARG 7 HE ARG 7 -1.139 8.951 9.967
63 HH11 ARG 7 1HH1 ARG 7 -4.419 9.709 10.853
64 HH12 ARG 7 2HH1 ARG 7 -3.963 10.742 12.167
65 HH21 ARG 7 1HH2 ARG 7 -0.526 10.308 11.695
66 HH22 ARG 7 2HH2 ARG 7 -1.749 11.082 12.644
67 H LYS 8 H LYS 8 -3.610 8.915 4.316
68 HA LYS 8 HA LYS 8 -6.373 8.606 3.600
69 HB2 LYS 8 2HB LYS 8 -5.691 9.856 1.539
70 HB3 LYS 8 3HB LYS 8 -5.310 10.680 3.045
71 HG2 LYS 8 2HG LYS 8 -3.265 10.945 2.223
72 HG3 LYS 8 3HG LYS 8 -3.030 9.222 2.526
73 HD2 LYS 8 2HD LYS 8 -3.303 8.658 0.325
74 HD3 LYS 8 3HD LYS 8 -4.362 10.031 -0.007
75 HE2 LYS 8 2HE LYS 8 -2.652 11.316 -0.647
76 HE3 LYS 8 3HE LYS 8 -1.682 10.856 0.752
77 HZ1 LYS 8 3HZ LYS 8 -1.713 8.636 -0.859
78 HZ2 LYS 8 1HZ LYS 8 -0.428 9.717 -0.658
79 HZ3 LYS 8 2HZ LYS 8 -1.518 9.928 -1.933
80 H CYS 9 H CYS 9 -5.494 6.093 3.816
81 HA CYS 9 HA CYS 9 -4.267 4.712 1.863
82 HB2 CYS 9 2HB CYS 9 -6.156 2.955 2.178
83 HB3 CYS 9 3HB CYS 9 -5.162 3.394 3.562
84 HG CYS 9 HG CYS 9 -8.432 4.020 2.990
85 HA PRO 10 HA PRO 10 -6.605 6.241 -1.699
86 HB2 PRO 10 2HB PRO 10 -4.709 5.537 -3.510
87 HB3 PRO 10 3HB PRO 10 -4.619 7.020 -2.553
88 HG2 PRO 10 2HG PRO 10 -3.249 4.396 -2.112
89 HG3 PRO 10 3HG PRO 10 -2.594 6.038 -1.968
90 HD2 PRO 10 2HD PRO 10 -3.363 4.582 0.182
91 HD3 PRO 10 3HD PRO 10 -3.503 6.351 0.127
92 H LEU 11 H LEU 11 -4.965 3.125 -1.347
93 HA LEU 11 HA LEU 11 -7.119 1.897 -2.938
94 HB2 LEU 11 2HB LEU 11 -5.131 1.748 -4.231
95 HB3 LEU 11 3HB LEU 11 -4.189 1.222 -2.838
96 HG LEU 11 HG LEU 11 -6.433 -0.497 -3.790
97 HD11 LEU 11 1HD1 LEU 11 -5.492 -0.328 -5.868
98 HD12 LEU 11 2HD1 LEU 11 -4.507 -1.619 -5.181
99 HD13 LEU 11 3HD1 LEU 11 -3.885 0.030 -5.235
100 HD21 LEU 11 3HD2 LEU 11 -3.837 -1.634 -3.058
101 HD22 LEU 11 1HD2 LEU 11 -5.459 -2.054 -2.508
102 HD23 LEU 11 2HD2 LEU 11 -4.604 -0.697 -1.774
103 H PHE 12 H PHE 12 -4.937 1.622 -0.200
104 HA PHE 12 HA PHE 12 -5.339 -0.853 0.787
105 HB2 PHE 12 2HB PHE 12 -4.406 1.517 1.836
106 HB3 PHE 12 3HB PHE 12 -5.784 1.157 2.872
107 HD1 PHE 12 HD2 PHE 12 -5.516 -1.899 2.612
108 HD2 PHE 12 HD1 PHE 12 -2.733 1.197 3.498
109 HE1 PHE 12 HE2 PHE 12 -4.144 -3.500 3.879
110 HE2 PHE 12 HE1 PHE 12 -1.356 -0.399 4.767
111 HZ PHE 12 HZ PHE 12 -2.062 -2.751 4.959
112 H GLY 13 H GLY 13 -7.547 1.870 1.469
113 HA2 GLY 13 2HA GLY 13 -9.673 -0.133 1.925
114 HA3 GLY 13 3HA GLY 13 -9.541 1.350 2.858
115 H LYS 14 H LYS 14 -9.058 1.074 -0.618
116 HA LYS 14 HA LYS 14 -10.420 3.268 -1.420
117 HB2 LYS 14 2HB LYS 14 -9.135 1.579 -2.842
118 HB3 LYS 14 3HB LYS 14 -10.641 0.677 -2.945
119 HG2 LYS 14 2HG LYS 14 -11.353 1.970 -4.591
120 HG3 LYS 14 3HG LYS 14 -11.130 3.416 -3.603
121 HD2 LYS 14 2HD LYS 14 -9.184 3.943 -4.603
122 HD3 LYS 14 3HD LYS 14 -8.646 2.263 -4.660
123 HE2 LYS 14 2HE LYS 14 -10.476 2.034 -6.502
124 HE3 LYS 14 3HE LYS 14 -10.330 3.787 -6.605
125 HZ1 LYS 14 3HZ LYS 14 -8.865 2.793 -8.188
126 HZ2 LYS 14 1HZ LYS 14 -8.165 1.799 -7.012
127 HZ3 LYS 14 2HZ LYS 14 -7.920 3.471 -6.960
128 H GLY 15 H GLY 15 -11.956 0.053 -1.653
129 HA2 GLY 15 2HA GLY 15 -14.552 0.951 -2.033
130 HA3 GLY 15 3HA GLY 15 -14.132 -0.606 -1.335
131 H GLY 16 H GLY 16 -13.870 -0.758 0.969
132 HA2 GLY 16 2HA GLY 16 -14.008 0.889 2.998
133 HA3 GLY 16 3HA GLY 16 -15.623 1.141 2.354
Start of MODEL 18
1 H1 VAL 1 H VAL 1 1.610 -0.951 0.957
2 HA VAL 1 HA VAL 1 2.706 -1.432 -1.002
3 HB VAL 1 HB VAL 1 0.743 0.464 -2.299
4 HG11 VAL 1 1HG1 VAL 1 1.973 0.332 -4.140
5 HG12 VAL 1 2HG1 VAL 1 3.171 -0.632 -3.275
6 HG13 VAL 1 3HG1 VAL 1 1.837 -1.426 -4.113
7 HG21 VAL 1 3HG2 VAL 1 -0.697 -1.240 -2.532
8 HG22 VAL 1 1HG2 VAL 1 0.584 -2.396 -2.897
9 HG23 VAL 1 2HG2 VAL 1 0.213 -1.990 -1.221
10 H ALA 2 H ALA 2 1.797 1.984 -0.643
11 HA ALA 2 HA ALA 2 4.607 2.693 -1.183
12 HB1 ALA 2 1HB ALA 2 3.209 3.484 -2.986
13 HB2 ALA 2 2HB ALA 2 2.127 4.276 -1.840
14 HB3 ALA 2 3HB ALA 2 3.780 4.857 -2.037
15 H ARG 3 H ARG 3 2.763 5.355 -0.384
16 HA ARG 3 HA ARG 3 3.519 5.160 2.458
17 HB2 ARG 3 2HB ARG 3 4.241 7.400 2.479
18 HB3 ARG 3 3HB ARG 3 4.921 6.725 1.005
19 HG2 ARG 3 2HG ARG 3 2.356 8.290 1.069
20 HG3 ARG 3 3HG ARG 3 3.939 9.021 0.797
21 HD2 ARG 3 2HD ARG 3 3.879 6.889 -0.964
22 HD3 ARG 3 3HD ARG 3 2.237 7.527 -1.022
23 HE ARG 3 HE ARG 3 3.791 9.739 -1.245
24 HH11 ARG 3 1HH1 ARG 3 3.641 6.708 -2.951
25 HH12 ARG 3 2HH1 ARG 3 4.185 7.378 -4.454
26 HH21 ARG 3 1HH2 ARG 3 4.508 10.633 -3.218
27 HH22 ARG 3 2HH2 ARG 3 4.679 9.610 -4.604
28 H GLY 4 H GLY 4 1.191 6.231 0.082
29 HA2 GLY 4 2HA GLY 4 -0.521 7.622 1.883
30 HA3 GLY 4 3HA GLY 4 -0.951 7.047 0.279
31 H TRP 5 H TRP 5 0.169 4.363 1.631
32 HA TRP 5 HA TRP 5 -2.456 3.323 2.138
33 HB2 TRP 5 2HB TRP 5 0.312 2.189 2.068
34 HB3 TRP 5 3HB TRP 5 -0.969 1.263 2.845
35 HD1 TRP 5 HD1 TRP 5 -2.222 -0.322 1.282
36 HE1 TRP 5 HE1 TRP 5 -2.596 -0.500 -1.259
37 HE3 TRP 5 HE3 TRP 5 0.144 3.964 -0.189
38 HZ2 TRP 5 HZ2 TRP 5 -1.970 0.980 -3.579
39 HZ3 TRP 5 HZ3 TRP 5 0.213 4.510 -2.587
40 HH2 TRP 5 HH2 TRP 5 -0.822 3.047 -4.246
41 H LYS 6 H LYS 6 -1.739 5.409 3.931
42 HA LYS 6 HA LYS 6 -1.712 3.921 6.475
43 HB2 LYS 6 2HB LYS 6 -0.208 6.342 5.633
44 HB3 LYS 6 3HB LYS 6 -0.823 6.317 7.280
45 HG2 LYS 6 2HG LYS 6 0.772 4.925 7.944
46 HG3 LYS 6 3HG LYS 6 0.475 3.826 6.595
47 HD2 LYS 6 2HD LYS 6 1.909 5.078 5.160
48 HD3 LYS 6 3HD LYS 6 2.038 6.389 6.334
49 HE2 LYS 6 2HE LYS 6 3.162 4.830 7.890
50 HE3 LYS 6 3HE LYS 6 3.101 3.583 6.646
51 HZ1 LYS 6 3HZ LYS 6 5.165 4.421 6.270
52 HZ2 LYS 6 1HZ LYS 6 4.770 5.981 6.795
53 HZ3 LYS 6 2HZ LYS 6 4.285 5.457 5.262
54 H ARG 7 H ARG 7 -2.231 7.360 5.828
55 HA ARG 7 HA ARG 7 -4.735 7.234 7.301
56 HB2 ARG 7 2HB ARG 7 -2.955 9.450 6.348
57 HB3 ARG 7 3HB ARG 7 -4.614 9.796 6.818
58 HG2 ARG 7 2HG ARG 7 -4.240 9.234 9.035
59 HG3 ARG 7 3HG ARG 7 -2.802 8.285 8.653
60 HD2 ARG 7 2HD ARG 7 -1.993 10.257 9.641
61 HD3 ARG 7 3HD ARG 7 -1.745 10.473 7.909
62 HE ARG 7 HE ARG 7 -3.256 12.198 7.937
63 HH11 ARG 7 1HH1 ARG 7 -3.493 10.403 10.910
64 HH12 ARG 7 2HH1 ARG 7 -4.544 11.552 11.672
65 HH21 ARG 7 1HH2 ARG 7 -4.638 13.718 8.929
66 HH22 ARG 7 2HH2 ARG 7 -5.195 13.436 10.543
67 H LYS 8 H LYS 8 -3.898 9.138 4.420
68 HA LYS 8 HA LYS 8 -6.573 8.936 3.410
69 HB2 LYS 8 2HB LYS 8 -5.760 10.282 1.548
70 HB3 LYS 8 3HB LYS 8 -5.212 10.957 3.077
71 HG2 LYS 8 2HG LYS 8 -3.399 9.067 1.693
72 HG3 LYS 8 3HG LYS 8 -3.606 10.673 0.989
73 HD2 LYS 8 2HD LYS 8 -3.244 11.369 3.548
74 HD3 LYS 8 3HD LYS 8 -2.332 9.858 3.537
75 HE2 LYS 8 2HE LYS 8 -0.652 11.188 2.835
76 HE3 LYS 8 3HE LYS 8 -1.423 10.982 1.263
77 HZ1 LYS 8 3HZ LYS 8 -2.436 13.065 1.411
78 HZ2 LYS 8 1HZ LYS 8 -0.869 13.333 1.989
79 HZ3 LYS 8 2HZ LYS 8 -2.159 13.200 3.074
80 H CYS 9 H CYS 9 -5.803 6.386 3.671
81 HA CYS 9 HA CYS 9 -4.439 4.995 1.817
82 HB2 CYS 9 2HB CYS 9 -7.185 4.381 2.913
83 HB3 CYS 9 3HB CYS 9 -6.246 3.230 1.971
84 HG CYS 9 HG CYS 9 -6.213 2.812 4.856
85 HA PRO 10 HA PRO 10 -6.385 6.647 -1.921
86 HB2 PRO 10 2HB PRO 10 -4.355 5.896 -3.561
87 HB3 PRO 10 3HB PRO 10 -4.302 7.364 -2.577
88 HG2 PRO 10 2HG PRO 10 -3.071 4.686 -2.053
89 HG3 PRO 10 3HG PRO 10 -2.376 6.301 -1.824
90 HD2 PRO 10 2HD PRO 10 -3.391 4.848 0.223
91 HD3 PRO 10 3HD PRO 10 -3.462 6.622 0.183
92 H LEU 11 H LEU 11 -4.828 3.480 -1.549
93 HA LEU 11 HA LEU 11 -6.915 2.341 -3.289
94 HB2 LEU 11 2HB LEU 11 -4.923 2.136 -4.512
95 HB3 LEU 11 3HB LEU 11 -3.994 1.690 -3.083
96 HG LEU 11 HG LEU 11 -6.154 -0.139 -4.019
97 HD11 LEU 11 1HD1 LEU 11 -4.213 -1.246 -5.360
98 HD12 LEU 11 2HD1 LEU 11 -3.572 0.396 -5.416
99 HD13 LEU 11 3HD1 LEU 11 -5.165 0.048 -6.088
100 HD21 LEU 11 3HD2 LEU 11 -3.536 -1.161 -3.209
101 HD22 LEU 11 1HD2 LEU 11 -5.152 -1.614 -2.666
102 HD23 LEU 11 2HD2 LEU 11 -4.351 -0.205 -1.969
103 H PHE 12 H PHE 12 -4.874 1.915 -0.458
104 HA PHE 12 HA PHE 12 -5.365 -0.564 0.441
105 HB2 PHE 12 2HB PHE 12 -4.504 1.773 1.619
106 HB3 PHE 12 3HB PHE 12 -5.949 1.386 2.548
107 HD1 PHE 12 HD1 PHE 12 -5.637 -1.671 2.176
108 HD2 PHE 12 HD2 PHE 12 -2.977 1.410 3.423
109 HE1 PHE 12 HE1 PHE 12 -4.355 -3.312 3.486
110 HE2 PHE 12 HE2 PHE 12 -1.691 -0.227 4.733
111 HZ PHE 12 HZ PHE 12 -2.379 -2.592 4.766
112 H GLY 13 H GLY 13 -7.593 2.136 1.159
113 HA2 GLY 13 2HA GLY 13 -9.762 0.133 1.325
114 HA3 GLY 13 3HA GLY 13 -9.673 1.538 2.377
115 H LYS 14 H LYS 14 -9.012 1.478 -1.087
116 HA LYS 14 HA LYS 14 -10.277 3.758 -1.810
117 HB2 LYS 14 2HB LYS 14 -10.673 2.671 -4.055
118 HB3 LYS 14 3HB LYS 14 -9.024 2.578 -3.450
119 HG2 LYS 14 2HG LYS 14 -9.543 0.275 -2.630
120 HG3 LYS 14 3HG LYS 14 -11.090 0.392 -3.471
121 HD2 LYS 14 2HD LYS 14 -8.842 1.132 -5.161
122 HD3 LYS 14 3HD LYS 14 -8.709 -0.515 -4.542
123 HE2 LYS 14 2HE LYS 14 -10.636 -1.210 -5.601
124 HE3 LYS 14 3HE LYS 14 -11.308 0.418 -5.673
125 HZ1 LYS 14 3HZ LYS 14 -8.882 -0.231 -7.207
126 HZ2 LYS 14 1HZ LYS 14 -10.055 0.951 -7.509
127 HZ3 LYS 14 2HZ LYS 14 -10.398 -0.678 -7.809
128 H GLY 15 H GLY 15 -11.801 0.605 -1.330
129 HA2 GLY 15 2HA GLY 15 -14.427 1.782 -1.906
130 HA3 GLY 15 3HA GLY 15 -14.078 0.066 -1.753
131 H GLY 16 H GLY 16 -12.937 -0.260 0.617
132 HA2 GLY 16 2HA GLY 16 -13.341 0.854 2.912
133 HA3 GLY 16 3HA GLY 16 -15.031 0.661 2.468
Start of MODEL 19
1 H1 VAL 1 H VAL 1 0.728 -1.514 0.796
2 HA VAL 1 HA VAL 1 2.456 -2.025 -0.779
3 HB VAL 1 HB VAL 1 0.503 -0.195 -2.180
4 HG11 VAL 1 1HG1 VAL 1 1.400 -2.500 -3.662
5 HG12 VAL 1 2HG1 VAL 1 1.452 -0.791 -4.101
6 HG13 VAL 1 3HG1 VAL 1 2.764 -1.502 -3.159
7 HG21 VAL 1 3HG2 VAL 1 0.291 -3.174 -1.782
8 HG22 VAL 1 1HG2 VAL 1 -0.539 -1.987 -0.775
9 HG23 VAL 1 2HG2 VAL 1 -0.907 -2.096 -2.496
10 H ALA 2 H ALA 2 1.648 1.439 -0.796
11 HA ALA 2 HA ALA 2 4.440 1.990 -1.566
12 HB1 ALA 2 1HB ALA 2 2.967 2.577 -3.385
13 HB2 ALA 2 2HB ALA 2 1.964 3.544 -2.303
14 HB3 ALA 2 3HB ALA 2 3.617 4.046 -2.656
15 H ARG 3 H ARG 3 2.702 4.786 -1.036
16 HA ARG 3 HA ARG 3 3.614 4.947 1.761
17 HB2 ARG 3 2HB ARG 3 5.086 6.312 0.465
18 HB3 ARG 3 3HB ARG 3 3.745 7.028 -0.419
19 HG2 ARG 3 2HG ARG 3 3.407 7.479 2.390
20 HG3 ARG 3 3HG ARG 3 5.010 8.008 1.878
21 HD2 ARG 3 2HD ARG 3 2.858 8.762 0.043
22 HD3 ARG 3 3HD ARG 3 2.712 9.471 1.651
23 HE ARG 3 HE ARG 3 5.342 9.826 0.822
24 HH11 ARG 3 1HH1 ARG 3 2.150 10.844 -0.124
25 HH12 ARG 3 2HH1 ARG 3 2.687 12.351 -0.790
26 HH21 ARG 3 1HH2 ARG 3 6.061 11.806 -0.051
27 HH22 ARG 3 2HH2 ARG 3 4.912 12.897 -0.748
28 H GLY 4 H GLY 4 1.177 5.798 -0.606
29 HA2 GLY 4 2HA GLY 4 -0.412 7.424 1.098
30 HA3 GLY 4 3HA GLY 4 -0.946 6.656 -0.390
31 H TRP 5 H TRP 5 0.209 4.140 1.218
32 HA TRP 5 HA TRP 5 -2.393 3.236 2.015
33 HB2 TRP 5 2HB TRP 5 0.347 2.037 1.926
34 HB3 TRP 5 3HB TRP 5 -0.899 1.247 2.888
35 HD1 TRP 5 HD1 TRP 5 -2.278 -0.488 1.616
36 HE1 TRP 5 HE1 TRP 5 -2.808 -0.977 -0.854
37 HE3 TRP 5 HE3 TRP 5 0.077 3.512 -0.526
38 HZ2 TRP 5 HZ2 TRP 5 -2.295 0.180 -3.378
39 HZ3 TRP 5 HZ3 TRP 5 0.010 3.748 -2.974
40 HH2 TRP 5 HH2 TRP 5 -1.151 2.115 -4.369
41 H LYS 6 H LYS 6 -1.528 5.515 3.481
42 HA LYS 6 HA LYS 6 -1.367 4.361 6.187
43 HB2 LYS 6 2HB LYS 6 0.018 6.750 5.016
44 HB3 LYS 6 3HB LYS 6 -0.328 6.691 6.740
45 HG2 LYS 6 2HG LYS 6 1.366 5.308 7.127
46 HG3 LYS 6 3HG LYS 6 0.903 4.244 5.797
47 HD2 LYS 6 2HD LYS 6 2.409 5.148 4.401
48 HD3 LYS 6 3HD LYS 6 2.041 6.793 4.926
49 HE2 LYS 6 2HE LYS 6 3.412 6.459 6.925
50 HE3 LYS 6 3HE LYS 6 3.773 4.814 6.405
51 HZ1 LYS 6 3HZ LYS 6 5.475 5.625 5.272
52 HZ2 LYS 6 1HZ LYS 6 5.055 7.214 5.674
53 HZ3 LYS 6 2HZ LYS 6 4.408 6.493 4.287
54 H ARG 7 H ARG 7 -1.867 7.702 5.137
55 HA ARG 7 HA ARG 7 -4.275 7.827 6.763
56 HB2 ARG 7 2HB ARG 7 -2.697 9.942 5.293
57 HB3 ARG 7 3HB ARG 7 -4.177 10.275 6.183
58 HG2 ARG 7 2HG ARG 7 -1.663 9.118 7.370
59 HG3 ARG 7 3HG ARG 7 -2.160 10.809 7.471
60 HD2 ARG 7 2HD ARG 7 -4.390 9.540 8.368
61 HD3 ARG 7 3HD ARG 7 -3.122 8.460 8.948
62 HE ARG 7 HE ARG 7 -2.229 10.885 9.710
63 HH11 ARG 7 1HH1 ARG 7 -5.285 9.263 10.093
64 HH12 ARG 7 2HH1 ARG 7 -5.661 10.047 11.591
65 HH21 ARG 7 1HH2 ARG 7 -2.713 11.924 11.682
66 HH22 ARG 7 2HH2 ARG 7 -4.198 11.561 12.494
67 H LYS 8 H LYS 8 -3.587 9.328 3.616
68 HA LYS 8 HA LYS 8 -6.323 9.068 2.804
69 HB2 LYS 8 2HB LYS 8 -5.605 10.147 0.739
70 HB3 LYS 8 3HB LYS 8 -4.952 10.996 2.134
71 HG2 LYS 8 2HG LYS 8 -3.261 8.902 0.896
72 HG3 LYS 8 3HG LYS 8 -3.484 10.410 0.007
73 HD2 LYS 8 2HD LYS 8 -2.952 11.414 2.430
74 HD3 LYS 8 3HD LYS 8 -2.067 9.892 2.556
75 HE2 LYS 8 2HE LYS 8 -0.420 11.124 1.613
76 HE3 LYS 8 3HE LYS 8 -1.253 10.668 0.127
77 HZ1 LYS 8 3HZ LYS 8 -1.962 13.142 1.575
78 HZ2 LYS 8 1HZ LYS 8 -2.245 12.746 -0.045
79 HZ3 LYS 8 2HZ LYS 8 -0.678 13.113 0.474
80 H CYS 9 H CYS 9 -5.584 6.553 3.341
81 HA CYS 9 HA CYS 9 -4.363 4.903 1.604
82 HB2 CYS 9 2HB CYS 9 -7.049 4.506 2.927
83 HB3 CYS 9 3HB CYS 9 -6.190 3.220 2.086
84 HG CYS 9 HG CYS 9 -3.964 3.312 3.806
85 HA PRO 10 HA PRO 10 -6.500 6.121 -2.196
86 HB2 PRO 10 2HB PRO 10 -4.587 5.117 -3.841
87 HB3 PRO 10 3HB PRO 10 -4.448 6.695 -3.056
88 HG2 PRO 10 2HG PRO 10 -3.237 4.074 -2.267
89 HG3 PRO 10 3HG PRO 10 -2.499 5.686 -2.286
90 HD2 PRO 10 2HD PRO 10 -3.415 4.530 -0.015
91 HD3 PRO 10 3HD PRO 10 -3.456 6.286 -0.277
92 H LEU 11 H LEU 11 -4.979 2.987 -1.517
93 HA LEU 11 HA LEU 11 -7.190 1.692 -2.972
94 HB2 LEU 11 2HB LEU 11 -5.281 1.285 -4.275
95 HB3 LEU 11 3HB LEU 11 -4.273 0.998 -2.857
96 HG LEU 11 HG LEU 11 -6.520 -0.879 -3.427
97 HD11 LEU 11 1HD1 LEU 11 -4.689 -2.194 -4.729
98 HD12 LEU 11 2HD1 LEU 11 -4.016 -0.592 -5.025
99 HD13 LEU 11 3HD1 LEU 11 -5.653 -0.972 -5.558
100 HD21 LEU 11 3HD2 LEU 11 -5.462 -2.198 -1.959
101 HD22 LEU 11 1HD2 LEU 11 -4.597 -0.733 -1.494
102 HD23 LEU 11 2HD2 LEU 11 -3.874 -1.855 -2.647
103 H PHE 12 H PHE 12 -4.988 1.577 -0.233
104 HA PHE 12 HA PHE 12 -5.465 -0.757 1.000
105 HB2 PHE 12 2HB PHE 12 -4.496 1.687 1.820
106 HB3 PHE 12 3HB PHE 12 -5.888 1.456 2.872
107 HD1 PHE 12 HD2 PHE 12 -5.649 -1.630 2.875
108 HD2 PHE 12 HD1 PHE 12 -2.868 1.518 3.561
109 HE1 PHE 12 HE2 PHE 12 -4.318 -3.123 4.307
110 HE2 PHE 12 HE1 PHE 12 -1.531 0.029 4.993
111 HZ PHE 12 HZ PHE 12 -2.256 -2.294 5.368
112 H GLY 13 H GLY 13 -7.601 2.064 1.495
113 HA2 GLY 13 2HA GLY 13 -9.788 0.151 2.042
114 HA3 GLY 13 3HA GLY 13 -9.613 1.676 2.898
115 H LYS 14 H LYS 14 -9.160 1.165 -0.561
116 HA LYS 14 HA LYS 14 -10.426 3.362 -1.499
117 HB2 LYS 14 2HB LYS 14 -9.249 1.466 -2.789
118 HB3 LYS 14 3HB LYS 14 -10.837 0.714 -2.869
119 HG2 LYS 14 2HG LYS 14 -11.519 2.080 -4.490
120 HG3 LYS 14 3HG LYS 14 -10.864 3.507 -3.685
121 HD2 LYS 14 2HD LYS 14 -9.438 3.514 -5.434
122 HD3 LYS 14 3HD LYS 14 -8.580 2.305 -4.476
123 HE2 LYS 14 2HE LYS 14 -8.780 0.959 -6.243
124 HE3 LYS 14 3HE LYS 14 -10.487 0.832 -5.824
125 HZ1 LYS 14 3HZ LYS 14 -10.936 2.712 -7.287
126 HZ2 LYS 14 1HZ LYS 14 -10.210 1.441 -8.135
127 HZ3 LYS 14 2HZ LYS 14 -9.300 2.800 -7.705
128 H GLY 15 H GLY 15 -12.116 0.216 -1.489
129 HA2 GLY 15 2HA GLY 15 -14.676 1.564 -1.551
130 HA3 GLY 15 3HA GLY 15 -14.407 -0.172 -1.588
131 H GLY 16 H GLY 16 -13.607 -1.125 0.522
132 HA2 GLY 16 2HA GLY 16 -15.318 -0.081 2.649
133 HA3 GLY 16 3HA GLY 16 -14.576 -1.673 2.600
Start of MODEL 20
1 H1 VAL 1 H VAL 1 1.637 0.730 0.564
2 HA VAL 1 HA VAL 1 2.987 -1.109 -1.152
3 HB VAL 1 HB VAL 1 0.917 0.687 -2.426
4 HG11 VAL 1 1HG1 VAL 1 2.111 0.588 -4.292
5 HG12 VAL 1 2HG1 VAL 1 3.373 -0.301 -3.437
6 HG13 VAL 1 3HG1 VAL 1 2.067 -1.174 -4.240
7 HG21 VAL 1 3HG2 VAL 1 0.516 -1.779 -1.320
8 HG22 VAL 1 1HG2 VAL 1 -0.451 -1.079 -2.618
9 HG23 VAL 1 2HG2 VAL 1 0.871 -2.183 -3.000
10 H ALA 2 H ALA 2 1.927 2.263 -0.792
11 HA ALA 2 HA ALA 2 4.690 3.100 -1.395
12 HB1 ALA 2 1HB ALA 2 3.212 3.816 -3.167
13 HB2 ALA 2 2HB ALA 2 2.127 4.569 -1.998
14 HB3 ALA 2 3HB ALA 2 3.749 5.217 -2.240
15 H ARG 3 H ARG 3 2.764 5.686 -0.569
16 HA ARG 3 HA ARG 3 3.580 5.533 2.259
17 HB2 ARG 3 2HB ARG 3 3.889 7.995 2.181
18 HB3 ARG 3 3HB ARG 3 5.001 7.126 1.132
19 HG2 ARG 3 2HG ARG 3 3.019 7.617 -0.612
20 HG3 ARG 3 3HG ARG 3 2.838 9.006 0.460
21 HD2 ARG 3 2HD ARG 3 4.487 9.977 -0.675
22 HD3 ARG 3 3HD ARG 3 5.577 8.793 0.045
23 HE ARG 3 HE ARG 3 4.583 7.485 -2.101
24 HH11 ARG 3 1HH1 ARG 3 6.076 10.603 -1.684
25 HH12 ARG 3 2HH1 ARG 3 6.768 10.629 -3.272
26 HH21 ARG 3 1HH2 ARG 3 5.489 7.508 -4.195
27 HH22 ARG 3 2HH2 ARG 3 6.433 8.869 -4.700
28 H GLY 4 H GLY 4 1.163 6.505 -0.072
29 HA2 GLY 4 2HA GLY 4 -0.570 7.825 1.761
30 HA3 GLY 4 3HA GLY 4 -1.009 7.228 0.168
31 H TRP 5 H TRP 5 0.253 4.600 1.510
32 HA TRP 5 HA TRP 5 -2.312 3.445 2.064
33 HB2 TRP 5 2HB TRP 5 0.503 2.442 1.962
34 HB3 TRP 5 3HB TRP 5 -0.718 1.464 2.772
35 HD1 TRP 5 HD1 TRP 5 -1.903 -0.207 1.248
36 HE1 TRP 5 HE1 TRP 5 -2.319 -0.429 -1.283
37 HE3 TRP 5 HE3 TRP 5 0.185 4.193 -0.308
38 HZ2 TRP 5 HZ2 TRP 5 -1.828 1.063 -3.628
39 HZ3 TRP 5 HZ3 TRP 5 0.171 4.720 -2.712
40 HH2 TRP 5 HH2 TRP 5 -0.814 3.185 -4.336
41 H LYS 6 H LYS 6 -1.667 5.579 3.831
42 HA LYS 6 HA LYS 6 -1.532 4.116 6.386
43 HB2 LYS 6 2HB LYS 6 -0.429 6.842 5.700
44 HB3 LYS 6 3HB LYS 6 -0.602 6.257 7.350
45 HG2 LYS 6 2HG LYS 6 1.148 5.123 5.182
46 HG3 LYS 6 3HG LYS 6 1.656 5.921 6.672
47 HD2 LYS 6 2HD LYS 6 0.118 3.927 7.667
48 HD3 LYS 6 3HD LYS 6 0.757 3.155 6.213
49 HE2 LYS 6 2HE LYS 6 2.423 2.632 7.680
50 HE3 LYS 6 3HE LYS 6 3.025 4.185 7.101
51 HZ1 LYS 6 3HZ LYS 6 1.258 4.520 9.303
52 HZ2 LYS 6 1HZ LYS 6 2.859 5.038 9.126
53 HZ3 LYS 6 2HZ LYS 6 2.532 3.484 9.709
54 H ARG 7 H ARG 7 -2.198 7.534 5.864
55 HA ARG 7 HA ARG 7 -4.676 7.283 7.335
56 HB2 ARG 7 2HB ARG 7 -2.862 9.457 6.554
57 HB3 ARG 7 3HB ARG 7 -4.565 9.893 6.508
58 HG2 ARG 7 2HG ARG 7 -4.773 9.845 8.745
59 HG3 ARG 7 3HG ARG 7 -3.698 8.456 8.922
60 HD2 ARG 7 2HD ARG 7 -1.985 9.774 9.439
61 HD3 ARG 7 3HD ARG 7 -2.231 10.743 7.987
62 HE ARG 7 HE ARG 7 -3.271 12.328 9.267
63 HH11 ARG 7 1HH1 ARG 7 -3.102 9.349 11.061
64 HH12 ARG 7 2HH1 ARG 7 -3.682 10.052 12.535
65 HH21 ARG 7 1HH2 ARG 7 -4.035 13.264 11.201
66 HH22 ARG 7 2HH2 ARG 7 -4.213 12.279 12.613
67 H LYS 8 H LYS 8 -4.051 9.218 4.425
68 HA LYS 8 HA LYS 8 -6.729 8.807 3.485
69 HB2 LYS 8 2HB LYS 8 -5.937 10.129 1.506
70 HB3 LYS 8 3HB LYS 8 -5.722 10.934 3.054
71 HG2 LYS 8 2HG LYS 8 -3.630 11.308 2.412
72 HG3 LYS 8 3HG LYS 8 -3.342 9.591 2.704
73 HD2 LYS 8 2HD LYS 8 -3.369 9.069 0.484
74 HD3 LYS 8 3HD LYS 8 -4.504 10.360 0.083
75 HE2 LYS 8 2HE LYS 8 -2.669 11.999 0.470
76 HE3 LYS 8 3HE LYS 8 -1.563 10.643 0.685
77 HZ1 LYS 8 3HZ LYS 8 -1.334 10.501 -1.498
78 HZ2 LYS 8 1HZ LYS 8 -2.330 11.855 -1.697
79 HZ3 LYS 8 2HZ LYS 8 -3.001 10.303 -1.710
80 H CYS 9 H CYS 9 -5.882 6.327 3.688
81 HA CYS 9 HA CYS 9 -4.416 5.034 1.821
82 HB2 CYS 9 2HB CYS 9 -7.106 4.242 2.942
83 HB3 CYS 9 3HB CYS 9 -6.107 3.158 1.983
84 HG CYS 9 HG CYS 9 -6.105 3.266 5.099
85 HA PRO 10 HA PRO 10 -6.479 6.562 -1.899
86 HB2 PRO 10 2HB PRO 10 -4.444 5.883 -3.563
87 HB3 PRO 10 3HB PRO 10 -4.435 7.356 -2.586
88 HG2 PRO 10 2HG PRO 10 -3.094 4.731 -2.067
89 HG3 PRO 10 3HG PRO 10 -2.459 6.373 -1.855
90 HD2 PRO 10 2HD PRO 10 -3.389 4.893 0.213
91 HD3 PRO 10 3HD PRO 10 -3.529 6.662 0.166
92 H LEU 11 H LEU 11 -4.768 3.467 -1.569
93 HA LEU 11 HA LEU 11 -6.853 2.233 -3.247
94 HB2 LEU 11 2HB LEU 11 -4.913 2.104 -4.543
95 HB3 LEU 11 3HB LEU 11 -3.897 1.749 -3.147
96 HG LEU 11 HG LEU 11 -5.968 -0.238 -3.949
97 HD11 LEU 11 1HD1 LEU 11 -5.084 0.007 -6.069
98 HD12 LEU 11 2HD1 LEU 11 -4.057 -1.249 -5.378
99 HD13 LEU 11 3HD1 LEU 11 -3.477 0.414 -5.467
100 HD21 LEU 11 3HD2 LEU 11 -4.792 -1.626 -2.638
101 HD22 LEU 11 1HD2 LEU 11 -4.085 -0.148 -1.984
102 HD23 LEU 11 2HD2 LEU 11 -3.240 -1.046 -3.245
103 H PHE 12 H PHE 12 -4.720 1.914 -0.472
104 HA PHE 12 HA PHE 12 -5.048 -0.587 0.437
105 HB2 PHE 12 2HB PHE 12 -4.294 1.791 1.597
106 HB3 PHE 12 3HB PHE 12 -5.701 1.335 2.553
107 HD1 PHE 12 HD2 PHE 12 -5.231 -1.705 2.178
108 HD2 PHE 12 HD1 PHE 12 -2.725 1.518 3.381
109 HE1 PHE 12 HE2 PHE 12 -3.843 -3.272 3.470
110 HE2 PHE 12 HE1 PHE 12 -1.331 -0.044 4.675
111 HZ PHE 12 HZ PHE 12 -1.890 -2.442 4.722
112 H GLY 13 H GLY 13 -7.412 1.976 1.222
113 HA2 GLY 13 2HA GLY 13 -9.458 -0.149 1.420
114 HA3 GLY 13 3HA GLY 13 -9.426 1.251 2.481
115 H LYS 14 H LYS 14 -8.844 1.249 -0.998
116 HA LYS 14 HA LYS 14 -10.240 3.458 -1.684
117 HB2 LYS 14 2HB LYS 14 -10.591 2.435 -3.922
118 HB3 LYS 14 3HB LYS 14 -8.950 2.240 -3.320
119 HG2 LYS 14 2HG LYS 14 -9.218 0.110 -3.946
120 HG3 LYS 14 3HG LYS 14 -10.102 -0.044 -2.425
121 HD2 LYS 14 2HD LYS 14 -11.755 -0.828 -3.736
122 HD3 LYS 14 3HD LYS 14 -12.053 0.879 -4.073
123 HE2 LYS 14 2HE LYS 14 -10.216 0.465 -5.926
124 HE3 LYS 14 3HE LYS 14 -10.760 -1.203 -5.762
125 HZ1 LYS 14 3HZ LYS 14 -12.792 -0.723 -6.619
126 HZ2 LYS 14 1HZ LYS 14 -11.898 0.466 -7.425
127 HZ3 LYS 14 2HZ LYS 14 -12.800 0.871 -6.053
128 H GLY 15 H GLY 15 -11.606 0.233 -1.185
129 HA2 GLY 15 2HA GLY 15 -14.301 1.400 -1.482
130 HA3 GLY 15 3HA GLY 15 -13.916 -0.300 -1.706
131 H GLY 16 H GLY 16 -13.526 2.174 0.841
132 HA2 GLY 16 2HA GLY 16 -15.165 0.760 2.687
133 HA3 GLY 16 3HA GLY 16 -13.464 0.465 3.018
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