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 |
|
|
566038 |
2m3n   |
18970 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 6.811 7.213 -1.114
2 HA LEU 1 HA LEU 1 9.202 6.585 -1.364
3 HB2 LEU 1 2HB LEU 1 8.263 4.275 0.349
4 HB3 LEU 1 1HB LEU 1 9.805 4.359 -0.475
5 HG LEU 1 HG LEU 1 8.921 6.160 1.785
6 HD11 LEU 1 1HD1 LEU 1 9.352 3.888 2.526
7 HD12 LEU 1 2HD1 LEU 1 10.617 4.980 3.087
8 HD13 LEU 1 3HD1 LEU 1 10.920 3.907 1.722
9 HD21 LEU 1 3HD2 LEU 1 10.432 7.323 0.261
10 HD22 LEU 1 1HD2 LEU 1 11.566 5.972 0.335
11 HD23 LEU 1 2HD2 LEU 1 11.252 6.941 1.773
12 H VAL 2 H VAL 2 9.515 5.520 -3.289
13 HA VAL 2 HA VAL 2 7.107 4.470 -4.496
14 HB VAL 2 HB VAL 2 9.815 5.025 -5.750
15 HG11 VAL 2 1HG1 VAL 2 7.132 4.510 -7.035
16 HG12 VAL 2 2HG1 VAL 2 8.508 3.407 -7.019
17 HG13 VAL 2 3HG1 VAL 2 8.615 4.937 -7.890
18 HG21 VAL 2 3HG2 VAL 2 8.798 7.066 -6.656
19 HG22 VAL 2 1HG2 VAL 2 8.815 7.085 -4.893
20 HG23 VAL 2 2HG2 VAL 2 7.319 6.728 -5.760
21 H ARG 3 H ARG 3 6.733 2.398 -4.369
22 HA ARG 3 HA ARG 3 8.609 0.505 -5.197
23 HB2 ARG 3 2HB ARG 3 8.205 -0.954 -3.028
24 HB3 ARG 3 1HB ARG 3 9.503 0.218 -3.074
25 HG2 ARG 3 2HG ARG 3 8.388 0.287 -0.932
26 HG3 ARG 3 1HG ARG 3 8.111 1.790 -1.797
27 HD2 ARG 3 2HD ARG 3 5.882 0.939 -2.451
28 HD3 ARG 3 1HD ARG 3 6.176 -0.499 -1.473
29 HE ARG 3 HE ARG 3 6.438 1.046 0.430
30 HH11 ARG 3 1HH1 ARG 3 4.321 1.833 -2.276
31 HH12 ARG 3 2HH1 ARG 3 3.478 3.072 -1.494
32 HH21 ARG 3 1HH2 ARG 3 5.251 2.736 1.592
33 HH22 ARG 3 2HH2 ARG 3 4.060 3.632 0.828
34 H GLY 4 H GLY 4 7.650 -1.585 -5.528
35 HA2 GLY 4 2HA GLY 4 4.998 -1.151 -6.533
36 HA3 GLY 4 1HA GLY 4 6.008 -2.561 -6.795
37 H CYS 5 H CYS 5 3.318 -1.363 -5.230
38 HA CYS 5 HA CYS 5 2.885 -3.915 -4.034
39 HB2 CYS 5 2HB CYS 5 1.941 -2.619 -2.008
40 HB3 CYS 5 1HB CYS 5 3.666 -2.976 -2.049
41 H TRP 6 H TRP 6 0.544 -4.130 -3.371
42 HA TRP 6 HA TRP 6 -1.167 -2.286 -4.683
43 HB2 TRP 6 2HB TRP 6 -1.310 -3.400 -6.644
44 HB3 TRP 6 1HB TRP 6 -0.118 -4.529 -6.059
45 HD1 TRP 6 HD TRP 6 -0.983 -6.898 -5.252
46 HE1 TRP 6 1HE TRP 6 -3.180 -8.159 -5.753
47 HE3 TRP 6 3HE TRP 6 -3.742 -2.994 -6.923
48 HZ2 TRP 6 2HZ TRP 6 -5.764 -7.537 -6.737
49 HZ3 TRP 6 3HZ TRP 6 -6.027 -3.341 -7.614
50 HH2 TRP 6 HH TRP 6 -7.045 -5.603 -7.541
51 H THR 7 H THR 7 -3.312 -2.404 -3.919
52 HA THR 7 HA THR 7 -3.449 -3.903 -1.441
53 HB THR 7 HB THR 7 -5.113 -2.305 -0.672
54 HG1 THR 7 1HG THR 7 -5.087 -1.371 -3.368
55 HG21 THR 7 3HG2 THR 7 -3.033 -0.807 -2.240
56 HG22 THR 7 1HG2 THR 7 -2.773 -1.481 -0.627
57 HG23 THR 7 2HG2 THR 7 -3.938 -0.170 -0.880
58 H LYS 8 H LYS 8 -4.696 -5.618 -1.278
59 HA LYS 8 HA LYS 8 -6.662 -6.145 -3.367
60 HB2 LYS 8 2HB LYS 8 -5.108 -7.974 -2.726
61 HB3 LYS 8 1HB LYS 8 -5.696 -7.887 -1.074
62 HG2 LYS 8 2HG LYS 8 -7.965 -8.501 -1.918
63 HG3 LYS 8 1HG LYS 8 -7.254 -8.739 -3.511
64 HD2 LYS 8 2HD LYS 8 -6.466 -10.227 -0.997
65 HD3 LYS 8 1HD LYS 8 -7.511 -10.858 -2.266
66 HE2 LYS 8 2HE LYS 8 -5.653 -10.684 -3.866
67 HE3 LYS 8 1HE LYS 8 -4.614 -10.055 -2.588
68 HZ1 LYS 8 3HZ LYS 8 -4.887 -12.136 -1.390
69 HZ2 LYS 8 1HZ LYS 8 -4.256 -12.423 -2.933
70 HZ3 LYS 8 2HZ LYS 8 -5.884 -12.741 -2.610
71 H SER 9 H SER 9 -8.450 -5.020 -2.924
72 HA SER 9 HA SER 9 -9.987 -5.535 -0.582
73 HB2 SER 9 2HB SER 9 -8.942 -2.728 -1.175
74 HB3 SER 9 1HB SER 9 -10.182 -3.114 0.015
75 HG SER 9 HG SER 9 -7.993 -4.630 0.393
76 H TYR 10 H TYR 10 -11.834 -3.449 -1.017
77 HA TYR 10 HA TYR 10 -12.322 -3.388 -3.869
78 HB2 TYR 10 2HB TYR 10 -13.684 -5.275 -2.952
79 HB3 TYR 10 1HB TYR 10 -14.412 -4.166 -1.797
80 HD1 TYR 10 2HD TYR 10 -14.052 -4.824 -5.436
81 HD2 TYR 10 1HD TYR 10 -16.331 -2.922 -2.387
82 HE1 TYR 10 2HE TYR 10 -15.790 -4.274 -7.085
83 HE2 TYR 10 1HE TYR 10 -18.073 -2.367 -4.030
84 HH TYR 10 HH TYR 10 -18.315 -2.078 -6.442
85 HA PRO 11 HA PRO 11 -12.863 -2.066 -5.221
86 HB2 PRO 11 2HB PRO 11 -11.511 0.420 -5.822
87 HB3 PRO 11 1HB PRO 11 -13.003 -0.279 -6.494
88 HG2 PRO 11 2HG PRO 11 -13.023 1.926 -4.887
89 HG3 PRO 11 1HG PRO 11 -14.370 0.777 -5.007
90 HD2 PRO 11 2HD PRO 11 -12.255 0.965 -2.904
91 HD3 PRO 11 1HD PRO 11 -13.993 0.640 -2.733
92 HA PRO 12 HA PRO 12 -8.572 -3.286 -4.615
93 HB2 PRO 12 2HB PRO 12 -8.540 -4.035 -7.444
94 HB3 PRO 12 1HB PRO 12 -8.504 -5.098 -6.022
95 HG2 PRO 12 2HG PRO 12 -10.613 -4.976 -7.680
96 HG3 PRO 12 1HG PRO 12 -10.756 -5.331 -5.947
97 HD2 PRO 12 2HD PRO 12 -11.324 -2.772 -7.373
98 HD3 PRO 12 1HD PRO 12 -12.173 -3.517 -6.040
99 H LYS 13 H LYS 13 -6.613 -2.147 -4.848
100 HA LYS 13 HA LYS 13 -6.339 -0.414 -7.172
101 HB2 LYS 13 2HB LYS 13 -7.638 0.935 -5.691
102 HB3 LYS 13 1HB LYS 13 -6.620 0.475 -4.340
103 HG2 LYS 13 2HG LYS 13 -6.243 2.803 -5.016
104 HG3 LYS 13 1HG LYS 13 -4.798 1.824 -5.235
105 HD2 LYS 13 2HD LYS 13 -5.237 1.641 -7.579
106 HD3 LYS 13 1HD LYS 13 -6.739 2.571 -7.429
107 HE2 LYS 13 2HE LYS 13 -4.995 4.053 -8.230
108 HE3 LYS 13 1HE LYS 13 -5.381 4.486 -6.569
109 HZ1 LYS 13 3HZ LYS 13 -3.005 4.473 -6.744
110 HZ2 LYS 13 1HZ LYS 13 -3.005 2.970 -7.518
111 HZ3 LYS 13 2HZ LYS 13 -3.416 3.047 -5.926
112 HA PRO 14 HA PRO 14 -1.971 -1.544 -6.316
113 HB2 PRO 14 2HB PRO 14 -1.009 0.640 -7.837
114 HB3 PRO 14 1HB PRO 14 -1.213 -1.016 -8.433
115 HG2 PRO 14 2HG PRO 14 -3.032 1.302 -8.749
116 HG3 PRO 14 1HG PRO 14 -2.697 -0.038 -9.864
117 HD2 PRO 14 2HD PRO 14 -4.975 0.003 -8.532
118 HD3 PRO 14 1HD PRO 14 -4.086 -1.508 -8.744
119 H CYS 15 H CYS 15 -0.215 -0.357 -5.028
120 HA CYS 15 HA CYS 15 -1.542 1.211 -3.114
121 HB2 CYS 15 2HB CYS 15 0.579 1.179 -1.909
122 HB3 CYS 15 1HB CYS 15 0.163 -0.429 -2.483
123 H PHE 16 H PHE 16 -0.122 2.982 -2.254
124 HA PHE 16 HA PHE 16 0.143 5.007 -4.379
125 HB2 PHE 16 2HB PHE 16 -0.318 5.419 -1.410
126 HB3 PHE 16 1HB PHE 16 -0.196 6.702 -2.607
127 HD1 PHE 16 1HD PHE 16 -1.956 6.911 -4.362
128 HD2 PHE 16 2HD PHE 16 -2.348 4.245 -1.067
129 HE1 PHE 16 1HE PHE 16 -4.378 6.761 -4.774
130 HE2 PHE 16 2HE PHE 16 -4.768 4.090 -1.473
131 HZ PHE 16 HZ PHE 16 -5.787 5.349 -3.330
132 H VAL 17 H VAL 17 1.922 6.513 -4.218
133 HA VAL 17 HA VAL 17 4.350 5.133 -3.586
134 HB VAL 17 HB VAL 17 5.489 7.100 -4.595
135 HG11 VAL 17 1HG1 VAL 17 4.638 6.751 -6.876
136 HG12 VAL 17 2HG1 VAL 17 3.212 5.954 -6.212
137 HG13 VAL 17 3HG1 VAL 17 4.806 5.232 -5.997
138 HG21 VAL 17 3HG2 VAL 17 2.676 8.147 -4.986
139 HG22 VAL 17 1HG2 VAL 17 4.137 8.846 -5.686
140 HG23 VAL 17 2HG2 VAL 17 3.907 8.850 -3.937
141 H ARG 18 H ARG 18 2.718 6.041 -1.360
142 HA ARG 18 HA ARG 18 4.625 7.800 -0.054
143 HB2 ARG 18 2HB ARG 18 2.847 8.225 1.674
144 HB3 ARG 18 1HB ARG 18 2.424 8.794 0.074
145 HG2 ARG 18 2HG ARG 18 0.510 7.653 0.175
146 HG3 ARG 18 1HG ARG 18 1.404 6.146 0.394
147 HD2 ARG 18 2HD ARG 18 0.634 8.067 2.600
148 HD3 ARG 18 1HD ARG 18 -0.175 6.541 2.242
149 HE ARG 18 HE ARG 18 2.390 5.831 2.532
150 HH11 ARG 18 1HH1 ARG 18 0.153 7.575 4.638
151 HH12 ARG 18 2HH1 ARG 18 0.894 7.116 6.103
152 HH21 ARG 18 1HH2 ARG 18 3.433 5.197 4.483
153 HH22 ARG 18 2HH2 ARG 18 2.867 5.687 6.017
Start of MODEL 2
1 H1 LEU 1 H LEU 1 8.614 6.275 -7.691
2 HA LEU 1 HA LEU 1 9.373 4.957 -9.369
3 HB2 LEU 1 2HB LEU 1 11.080 3.247 -9.074
4 HB3 LEU 1 1HB LEU 1 11.780 4.810 -8.747
5 HG LEU 1 HG LEU 1 10.948 2.864 -6.573
6 HD11 LEU 1 1HD1 LEU 1 13.663 3.319 -7.799
7 HD12 LEU 1 2HD1 LEU 1 12.676 1.865 -7.960
8 HD13 LEU 1 3HD1 LEU 1 13.327 2.321 -6.387
9 HD21 LEU 1 3HD2 LEU 1 12.748 5.300 -6.512
10 HD22 LEU 1 1HD2 LEU 1 12.452 4.207 -5.161
11 HD23 LEU 1 2HD2 LEU 1 11.139 5.187 -5.797
12 H VAL 2 H VAL 2 8.085 3.187 -9.644
13 HA VAL 2 HA VAL 2 6.415 2.591 -7.404
14 HB VAL 2 HB VAL 2 5.095 1.228 -8.993
15 HG11 VAL 2 1HG1 VAL 2 4.590 3.586 -8.762
16 HG12 VAL 2 2HG1 VAL 2 4.345 3.076 -10.432
17 HG13 VAL 2 3HG1 VAL 2 5.790 3.985 -9.991
18 HG21 VAL 2 3HG2 VAL 2 7.168 2.073 -11.028
19 HG22 VAL 2 1HG2 VAL 2 5.658 1.237 -11.391
20 HG23 VAL 2 2HG2 VAL 2 6.906 0.433 -10.439
21 H ARG 3 H ARG 3 5.863 0.403 -6.780
22 HA ARG 3 HA ARG 3 7.946 -1.570 -7.229
23 HB2 ARG 3 2HB ARG 3 6.713 -0.898 -4.524
24 HB3 ARG 3 1HB ARG 3 7.732 -2.278 -4.851
25 HG2 ARG 3 2HG ARG 3 9.107 -0.746 -3.707
26 HG3 ARG 3 1HG ARG 3 9.569 -0.567 -5.397
27 HD2 ARG 3 2HD ARG 3 9.348 1.606 -4.269
28 HD3 ARG 3 1HD ARG 3 8.180 1.426 -5.580
29 HE ARG 3 HE ARG 3 7.378 0.796 -2.846
30 HH11 ARG 3 1HH1 ARG 3 7.189 3.070 -5.563
31 HH12 ARG 3 2HH1 ARG 3 5.693 3.728 -5.101
32 HH21 ARG 3 1HH2 ARG 3 5.300 1.787 -2.169
33 HH22 ARG 3 2HH2 ARG 3 4.612 3.006 -3.125
34 H GLY 4 H GLY 4 7.002 -3.746 -6.528
35 HA2 GLY 4 2HA GLY 4 4.380 -4.015 -7.635
36 HA3 GLY 4 1HA GLY 4 5.364 -5.301 -6.941
37 H CYS 5 H CYS 5 3.233 -2.635 -6.166
38 HA CYS 5 HA CYS 5 2.232 -4.039 -3.766
39 HB2 CYS 5 2HB CYS 5 4.067 -2.224 -3.304
40 HB3 CYS 5 1HB CYS 5 2.857 -1.131 -3.779
41 H TRP 6 H TRP 6 0.275 -4.191 -3.815
42 HA TRP 6 HA TRP 6 -1.306 -2.133 -4.881
43 HB2 TRP 6 2HB TRP 6 -1.349 -3.009 -6.952
44 HB3 TRP 6 1HB TRP 6 -0.421 -4.384 -6.424
45 HD1 TRP 6 HD TRP 6 -1.763 -6.534 -5.787
46 HE1 TRP 6 1HE TRP 6 -4.079 -7.398 -6.692
47 HE3 TRP 6 3HE TRP 6 -3.518 -2.179 -7.554
48 HZ2 TRP 6 2HZ TRP 6 -6.340 -6.245 -8.007
49 HZ3 TRP 6 3HZ TRP 6 -5.682 -2.026 -8.565
50 HH2 TRP 6 HH TRP 6 -7.111 -4.048 -8.833
51 H THR 7 H THR 7 -3.372 -2.157 -3.901
52 HA THR 7 HA THR 7 -3.297 -3.850 -1.562
53 HB THR 7 HB THR 7 -4.698 -2.242 -0.442
54 HG1 THR 7 1HG THR 7 -6.256 -1.640 -1.824
55 HG21 THR 7 3HG2 THR 7 -3.509 -0.132 -0.722
56 HG22 THR 7 1HG2 THR 7 -2.903 -0.694 -2.273
57 HG23 THR 7 2HG2 THR 7 -2.370 -1.494 -0.791
58 H LYS 8 H LYS 8 -4.531 -5.535 -1.410
59 HA LYS 8 HA LYS 8 -6.722 -5.908 -3.229
60 HB2 LYS 8 2HB LYS 8 -5.464 -7.895 -2.451
61 HB3 LYS 8 1HB LYS 8 -5.938 -7.547 -0.792
62 HG2 LYS 8 2HG LYS 8 -8.293 -7.876 -1.404
63 HG3 LYS 8 1HG LYS 8 -7.802 -8.266 -3.049
64 HD2 LYS 8 2HD LYS 8 -6.589 -10.217 -2.247
65 HD3 LYS 8 1HD LYS 8 -6.983 -9.797 -0.577
66 HE2 LYS 8 2HE LYS 8 -8.983 -10.477 -2.740
67 HE3 LYS 8 1HE LYS 8 -8.467 -11.558 -1.446
68 HZ1 LYS 8 3HZ LYS 8 -9.793 -8.940 -1.008
69 HZ2 LYS 8 1HZ LYS 8 -9.427 -10.072 0.174
70 HZ3 LYS 8 2HZ LYS 8 -10.627 -10.377 -0.987
71 H SER 9 H SER 9 -8.329 -4.618 -2.943
72 HA SER 9 HA SER 9 -9.569 -4.340 -0.322
73 HB2 SER 9 2HB SER 9 -9.080 -2.083 -2.302
74 HB3 SER 9 1HB SER 9 -9.749 -1.942 -0.676
75 HG SER 9 HG SER 9 -7.598 -3.044 -0.151
76 H TYR 10 H TYR 10 -11.877 -2.939 -1.120
77 HA TYR 10 HA TYR 10 -12.649 -4.085 -3.614
78 HB2 TYR 10 2HB TYR 10 -14.180 -3.915 -1.019
79 HB3 TYR 10 1HB TYR 10 -14.824 -4.403 -2.572
80 HD1 TYR 10 1HD TYR 10 -13.629 -6.518 -3.658
81 HD2 TYR 10 2HD TYR 10 -13.395 -5.507 0.469
82 HE1 TYR 10 1HE TYR 10 -12.955 -8.828 -3.132
83 HE2 TYR 10 2HE TYR 10 -12.722 -7.806 1.002
84 HH TYR 10 HH TYR 10 -13.056 -10.073 -0.085
85 HA PRO 11 HA PRO 11 -12.647 -3.244 -5.274
86 HB2 PRO 11 2HB PRO 11 -11.782 -0.951 -6.747
87 HB3 PRO 11 1HB PRO 11 -13.057 -2.148 -7.092
88 HG2 PRO 11 2HG PRO 11 -13.602 0.486 -6.496
89 HG3 PRO 11 1HG PRO 11 -14.724 -0.857 -6.191
90 HD2 PRO 11 2HD PRO 11 -12.854 0.484 -4.274
91 HD3 PRO 11 1HD PRO 11 -14.539 -0.034 -4.033
92 HA PRO 12 HA PRO 12 -8.381 -3.161 -4.241
93 HB2 PRO 12 2HB PRO 12 -7.416 -4.606 -6.360
94 HB3 PRO 12 1HB PRO 12 -8.300 -5.345 -5.012
95 HG2 PRO 12 2HG PRO 12 -9.247 -4.715 -7.736
96 HG3 PRO 12 1HG PRO 12 -9.704 -6.042 -6.652
97 HD2 PRO 12 2HD PRO 12 -11.252 -3.764 -7.041
98 HD3 PRO 12 1HD PRO 12 -11.389 -4.773 -5.659
99 H LYS 13 H LYS 13 -6.474 -2.036 -4.715
100 HA LYS 13 HA LYS 13 -6.375 -0.397 -7.126
101 HB2 LYS 13 2HB LYS 13 -8.019 0.602 -5.493
102 HB3 LYS 13 1HB LYS 13 -6.693 0.639 -4.350
103 HG2 LYS 13 2HG LYS 13 -6.598 2.191 -6.916
104 HG3 LYS 13 1HG LYS 13 -7.431 2.814 -5.503
105 HD2 LYS 13 2HD LYS 13 -4.572 1.978 -5.619
106 HD3 LYS 13 1HD LYS 13 -5.101 3.659 -5.761
107 HE2 LYS 13 2HE LYS 13 -4.523 3.558 -3.487
108 HE3 LYS 13 1HE LYS 13 -6.239 3.185 -3.420
109 HZ1 LYS 13 3HZ LYS 13 -5.619 0.761 -3.200
110 HZ2 LYS 13 1HZ LYS 13 -4.863 1.695 -2.019
111 HZ3 LYS 13 2HZ LYS 13 -4.036 1.198 -3.399
112 HA PRO 14 HA PRO 14 -1.991 -1.159 -6.284
113 HB2 PRO 14 2HB PRO 14 -0.857 1.183 -7.235
114 HB3 PRO 14 1HB PRO 14 -1.329 -0.189 -8.250
115 HG2 PRO 14 2HG PRO 14 -2.852 2.309 -7.704
116 HG3 PRO 14 1HG PRO 14 -2.638 1.430 -9.232
117 HD2 PRO 14 2HD PRO 14 -4.902 1.195 -7.881
118 HD3 PRO 14 1HD PRO 14 -4.167 -0.223 -8.658
119 H CYS 15 H CYS 15 0.021 -0.250 -4.890
120 HA CYS 15 HA CYS 15 -1.023 1.036 -2.639
121 HB2 CYS 15 2HB CYS 15 1.496 0.001 -3.627
122 HB3 CYS 15 1HB CYS 15 1.609 0.833 -2.110
123 H PHE 16 H PHE 16 0.564 2.692 -1.756
124 HA PHE 16 HA PHE 16 0.234 5.025 -3.470
125 HB2 PHE 16 2HB PHE 16 -0.658 4.999 -1.125
126 HB3 PHE 16 1HB PHE 16 0.988 4.878 -0.531
127 HD1 PHE 16 2HD PHE 16 -1.142 7.055 -2.683
128 HD2 PHE 16 1HD PHE 16 2.071 6.827 0.098
129 HE1 PHE 16 2HE PHE 16 -1.004 9.512 -2.644
130 HE2 PHE 16 1HE PHE 16 2.215 9.281 0.141
131 HZ PHE 16 HZ PHE 16 0.676 10.627 -1.231
132 H VAL 17 H VAL 17 1.955 6.699 -3.391
133 HA VAL 17 HA VAL 17 3.999 7.516 -3.752
134 HB VAL 17 HB VAL 17 5.112 4.907 -2.634
135 HG11 VAL 17 1HG1 VAL 17 7.271 6.081 -2.469
136 HG12 VAL 17 2HG1 VAL 17 6.566 7.481 -3.278
137 HG13 VAL 17 3HG1 VAL 17 6.726 5.953 -4.143
138 HG21 VAL 17 3HG2 VAL 17 4.869 7.640 -1.366
139 HG22 VAL 17 1HG2 VAL 17 5.658 6.241 -0.636
140 HG23 VAL 17 2HG2 VAL 17 3.924 6.209 -0.953
141 H ARG 18 H ARG 18 4.443 7.839 -5.761
142 HA ARG 18 HA ARG 18 4.760 5.531 -7.499
143 HB2 ARG 18 2HB ARG 18 2.711 6.807 -8.025
144 HB3 ARG 18 1HB ARG 18 3.638 8.288 -8.137
145 HG2 ARG 18 2HG ARG 18 4.249 6.001 -9.978
146 HG3 ARG 18 1HG ARG 18 2.872 7.049 -10.300
147 HD2 ARG 18 2HD ARG 18 5.683 8.072 -9.889
148 HD3 ARG 18 1HD ARG 18 5.024 7.669 -11.473
149 HE ARG 18 HE ARG 18 3.375 9.375 -11.143
150 HH11 ARG 18 1HH1 ARG 18 5.983 9.547 -8.744
151 HH12 ARG 18 2HH1 ARG 18 6.051 11.229 -8.666
152 HH21 ARG 18 1HH2 ARG 18 3.405 11.767 -11.015
153 HH22 ARG 18 2HH2 ARG 18 4.522 12.536 -9.985
Start of MODEL 3
1 H1 LEU 1 H LEU 1 10.293 3.738 -0.394
2 HA LEU 1 HA LEU 1 10.323 3.596 -2.494
3 HB2 LEU 1 2HB LEU 1 12.550 2.934 -3.742
4 HB3 LEU 1 1HB LEU 1 12.136 4.601 -3.447
5 HG LEU 1 HG LEU 1 13.699 4.547 -1.462
6 HD11 LEU 1 1HD1 LEU 1 14.603 1.928 -2.629
7 HD12 LEU 1 2HD1 LEU 1 13.819 2.161 -1.067
8 HD13 LEU 1 3HD1 LEU 1 15.422 2.839 -1.358
9 HD21 LEU 1 3HD2 LEU 1 14.343 5.565 -3.553
10 HD22 LEU 1 1HD2 LEU 1 14.874 4.004 -4.177
11 HD23 LEU 1 2HD2 LEU 1 15.723 4.747 -2.822
12 H VAL 2 H VAL 2 9.052 1.977 -1.800
13 HA VAL 2 HA VAL 2 10.312 -0.665 -1.748
14 HB VAL 2 HB VAL 2 7.498 0.137 -0.945
15 HG11 VAL 2 1HG1 VAL 2 7.342 -2.107 0.049
16 HG12 VAL 2 2HG1 VAL 2 8.947 -2.486 -0.575
17 HG13 VAL 2 3HG1 VAL 2 7.619 -2.176 -1.693
18 HG21 VAL 2 3HG2 VAL 2 9.119 1.069 0.617
19 HG22 VAL 2 1HG2 VAL 2 9.858 -0.518 0.824
20 HG23 VAL 2 2HG2 VAL 2 8.209 -0.234 1.382
21 H ARG 3 H ARG 3 7.697 1.048 -2.858
22 HA ARG 3 HA ARG 3 6.464 1.171 -4.794
23 HB2 ARG 3 2HB ARG 3 8.598 1.601 -5.872
24 HB3 ARG 3 1HB ARG 3 8.913 -0.111 -6.017
25 HG2 ARG 3 2HG ARG 3 8.316 0.861 -8.176
26 HG3 ARG 3 1HG ARG 3 7.109 -0.312 -7.671
27 HD2 ARG 3 2HD ARG 3 6.778 2.672 -7.268
28 HD3 ARG 3 1HD ARG 3 6.223 1.835 -8.717
29 HE ARG 3 HE ARG 3 5.231 0.489 -6.505
30 HH11 ARG 3 1HH1 ARG 3 4.668 3.594 -8.082
31 HH12 ARG 3 2HH1 ARG 3 3.064 3.728 -7.517
32 HH21 ARG 3 1HH2 ARG 3 3.141 0.656 -5.733
33 HH22 ARG 3 2HH2 ARG 3 2.146 1.975 -6.100
34 H GLY 4 H GLY 4 7.767 -2.102 -4.409
35 HA2 GLY 4 2HA GLY 4 5.706 -3.307 -5.999
36 HA3 GLY 4 1HA GLY 4 6.838 -4.151 -4.955
37 H CYS 5 H CYS 5 3.849 -2.259 -4.934
38 HA CYS 5 HA CYS 5 2.716 -4.095 -3.060
39 HB2 CYS 5 2HB CYS 5 1.868 -2.200 -1.738
40 HB3 CYS 5 1HB CYS 5 3.603 -2.484 -1.490
41 H TRP 6 H TRP 6 0.515 -4.266 -3.371
42 HA TRP 6 HA TRP 6 -0.905 -2.140 -4.596
43 HB2 TRP 6 2HB TRP 6 -1.182 -3.046 -6.672
44 HB3 TRP 6 1HB TRP 6 0.080 -4.178 -6.251
45 HD1 TRP 6 HD TRP 6 -0.684 -6.693 -5.682
46 HE1 TRP 6 1HE TRP 6 -2.851 -7.968 -6.263
47 HE3 TRP 6 3HE TRP 6 -3.631 -2.727 -6.869
48 HZ2 TRP 6 2HZ TRP 6 -5.477 -7.341 -7.121
49 HZ3 TRP 6 3HZ TRP 6 -5.918 -3.090 -7.538
50 HH2 TRP 6 HH TRP 6 -6.847 -5.385 -7.684
51 H THR 7 H THR 7 -3.159 -2.214 -3.956
52 HA THR 7 HA THR 7 -3.375 -3.980 -1.661
53 HB THR 7 HB THR 7 -4.908 -2.433 -0.654
54 HG1 THR 7 1HG THR 7 -5.101 -1.314 -3.265
55 HG21 THR 7 3HG2 THR 7 -2.972 -0.801 -2.236
56 HG22 THR 7 1HG2 THR 7 -2.583 -1.634 -0.724
57 HG23 THR 7 2HG2 THR 7 -3.756 -0.295 -0.742
58 H LYS 8 H LYS 8 -4.627 -5.673 -1.759
59 HA LYS 8 HA LYS 8 -6.699 -5.696 -3.809
60 HB2 LYS 8 2HB LYS 8 -5.205 -7.743 -3.431
61 HB3 LYS 8 1HB LYS 8 -5.957 -7.934 -1.865
62 HG2 LYS 8 2HG LYS 8 -7.457 -8.068 -4.502
63 HG3 LYS 8 1HG LYS 8 -6.817 -9.474 -3.664
64 HD2 LYS 8 2HD LYS 8 -8.869 -7.565 -2.514
65 HD3 LYS 8 1HD LYS 8 -9.258 -9.098 -3.295
66 HE2 LYS 8 2HE LYS 8 -8.095 -10.328 -1.584
67 HE3 LYS 8 1HE LYS 8 -7.468 -8.845 -0.872
68 HZ1 LYS 8 3HZ LYS 8 -9.651 -8.205 -0.262
69 HZ2 LYS 8 1HZ LYS 8 -9.351 -9.738 0.359
70 HZ3 LYS 8 2HZ LYS 8 -10.366 -9.550 -0.988
71 H SER 9 H SER 9 -8.291 -4.531 -3.176
72 HA SER 9 HA SER 9 -9.438 -4.807 -0.501
73 HB2 SER 9 2HB SER 9 -9.002 -2.216 -2.031
74 HB3 SER 9 1HB SER 9 -9.639 -2.381 -0.394
75 HG SER 9 HG SER 9 -7.125 -2.094 -1.127
76 H TYR 10 H TYR 10 -11.713 -3.125 -0.951
77 HA TYR 10 HA TYR 10 -12.679 -3.844 -3.538
78 HB2 TYR 10 2HB TYR 10 -14.146 -3.931 -0.894
79 HB3 TYR 10 1HB TYR 10 -14.758 -4.330 -2.487
80 HD1 TYR 10 1HD TYR 10 -13.543 -6.356 -3.691
81 HD2 TYR 10 2HD TYR 10 -13.337 -5.598 0.491
82 HE1 TYR 10 1HE TYR 10 -12.790 -8.670 -3.307
83 HE2 TYR 10 2HE TYR 10 -12.590 -7.897 0.881
84 HH TYR 10 HH TYR 10 -12.849 -10.138 -0.394
85 HA PRO 11 HA PRO 11 -12.919 -2.723 -5.051
86 HB2 PRO 11 2HB PRO 11 -11.934 -0.284 -6.211
87 HB3 PRO 11 1HB PRO 11 -13.352 -1.283 -6.623
88 HG2 PRO 11 2HG PRO 11 -13.567 1.223 -5.525
89 HG3 PRO 11 1HG PRO 11 -14.787 -0.054 -5.342
90 HD2 PRO 11 2HD PRO 11 -12.639 0.766 -3.428
91 HD3 PRO 11 1HD PRO 11 -14.334 0.338 -3.108
92 HA PRO 12 HA PRO 12 -8.529 -3.400 -4.508
93 HB2 PRO 12 2HB PRO 12 -8.532 -3.948 -7.416
94 HB3 PRO 12 1HB PRO 12 -8.101 -5.025 -6.070
95 HG2 PRO 12 2HG PRO 12 -10.342 -5.372 -7.457
96 HG3 PRO 12 1HG PRO 12 -10.236 -5.711 -5.719
97 HD2 PRO 12 2HD PRO 12 -11.562 -3.401 -7.067
98 HD3 PRO 12 1HD PRO 12 -11.987 -4.226 -5.606
99 H LYS 13 H LYS 13 -6.616 -2.141 -4.749
100 HA LYS 13 HA LYS 13 -6.653 -0.147 -6.852
101 HB2 LYS 13 2HB LYS 13 -7.905 0.889 -5.088
102 HB3 LYS 13 1HB LYS 13 -6.697 0.378 -3.922
103 HG2 LYS 13 2HG LYS 13 -6.635 2.812 -4.417
104 HG3 LYS 13 1HG LYS 13 -5.119 1.987 -4.774
105 HD2 LYS 13 2HD LYS 13 -5.651 1.929 -7.104
106 HD3 LYS 13 1HD LYS 13 -7.238 2.655 -6.818
107 HE2 LYS 13 2HE LYS 13 -5.558 4.295 -7.637
108 HE3 LYS 13 1HE LYS 13 -6.203 4.706 -6.051
109 HZ1 LYS 13 3HZ LYS 13 -3.767 4.972 -6.222
110 HZ2 LYS 13 1HZ LYS 13 -3.606 3.305 -6.471
111 HZ3 LYS 13 2HZ LYS 13 -4.226 3.866 -5.026
112 HA PRO 14 HA PRO 14 -2.229 -1.261 -6.535
113 HB2 PRO 14 2HB PRO 14 -1.435 0.934 -8.086
114 HB3 PRO 14 1HB PRO 14 -1.779 -0.684 -8.716
115 HG2 PRO 14 2HG PRO 14 -3.552 1.694 -8.677
116 HG3 PRO 14 1HG PRO 14 -3.390 0.421 -9.905
117 HD2 PRO 14 2HD PRO 14 -5.475 0.417 -8.295
118 HD3 PRO 14 1HD PRO 14 -4.659 -1.095 -8.708
119 H CYS 15 H CYS 15 -0.679 -0.551 -5.142
120 HA CYS 15 HA CYS 15 -1.450 1.321 -3.217
121 HB2 CYS 15 2HB CYS 15 -0.520 -0.622 -2.395
122 HB3 CYS 15 1HB CYS 15 0.653 -0.721 -3.684
123 H PHE 16 H PHE 16 0.074 2.813 -2.473
124 HA PHE 16 HA PHE 16 1.851 4.058 -4.393
125 HB2 PHE 16 2HB PHE 16 0.703 6.277 -4.318
126 HB3 PHE 16 1HB PHE 16 -0.216 5.033 -5.149
127 HD1 PHE 16 1HD PHE 16 -2.265 4.125 -4.140
128 HD2 PHE 16 2HD PHE 16 -0.098 7.279 -2.271
129 HE1 PHE 16 1HE PHE 16 -4.213 4.623 -2.727
130 HE2 PHE 16 2HE PHE 16 -2.041 7.778 -0.855
131 HZ PHE 16 HZ PHE 16 -4.103 6.450 -1.079
132 H VAL 17 H VAL 17 3.238 5.562 -3.581
133 HA VAL 17 HA VAL 17 4.617 6.582 -2.192
134 HB VAL 17 HB VAL 17 2.177 6.996 -0.437
135 HG11 VAL 17 1HG1 VAL 17 4.809 8.484 -0.478
136 HG12 VAL 17 2HG1 VAL 17 4.246 7.412 0.802
137 HG13 VAL 17 3HG1 VAL 17 3.396 8.924 0.481
138 HG21 VAL 17 3HG2 VAL 17 2.002 9.169 -1.548
139 HG22 VAL 17 1HG2 VAL 17 1.888 7.855 -2.718
140 HG23 VAL 17 2HG2 VAL 17 3.387 8.770 -2.563
141 H ARG 18 H ARG 18 5.958 4.867 -1.783
142 HA ARG 18 HA ARG 18 6.796 4.606 0.726
143 HB2 ARG 18 2HB ARG 18 6.356 2.236 1.338
144 HB3 ARG 18 1HB ARG 18 4.912 3.226 1.365
145 HG2 ARG 18 2HG ARG 18 4.646 2.249 -1.079
146 HG3 ARG 18 1HG ARG 18 5.631 0.951 -0.385
147 HD2 ARG 18 2HD ARG 18 3.281 0.472 -0.050
148 HD3 ARG 18 1HD ARG 18 4.058 0.807 1.505
149 HE ARG 18 HE ARG 18 3.115 3.202 0.479
150 HH11 ARG 18 1HH1 ARG 18 1.796 0.260 1.861
151 HH12 ARG 18 2HH1 ARG 18 0.313 0.954 2.355
152 HH21 ARG 18 1HH2 ARG 18 1.165 4.165 1.047
153 HH22 ARG 18 2HH2 ARG 18 -0.076 3.329 1.868
Start of MODEL 4
1 H1 LEU 1 H LEU 1 11.760 5.673 -9.304
2 HA LEU 1 HA LEU 1 12.492 3.351 -9.335
3 HB2 LEU 1 2HB LEU 1 12.474 4.664 -7.194
4 HB3 LEU 1 1HB LEU 1 10.859 4.075 -6.877
5 HG LEU 1 HG LEU 1 11.768 1.766 -6.727
6 HD11 LEU 1 1HD1 LEU 1 13.740 2.013 -8.114
7 HD12 LEU 1 2HD1 LEU 1 14.185 1.449 -6.503
8 HD13 LEU 1 3HD1 LEU 1 14.441 3.136 -6.949
9 HD21 LEU 1 3HD2 LEU 1 11.423 3.090 -4.712
10 HD22 LEU 1 1HD2 LEU 1 13.034 3.788 -4.879
11 HD23 LEU 1 2HD2 LEU 1 12.848 2.065 -4.547
12 H VAL 2 H VAL 2 11.807 1.078 -8.855
13 HA VAL 2 HA VAL 2 9.137 0.613 -9.901
14 HB VAL 2 HB VAL 2 11.389 -1.351 -9.305
15 HG11 VAL 2 1HG1 VAL 2 8.886 -1.710 -10.953
16 HG12 VAL 2 2HG1 VAL 2 9.206 -2.427 -9.375
17 HG13 VAL 2 3HG1 VAL 2 10.177 -2.899 -10.770
18 HG21 VAL 2 3HG2 VAL 2 12.099 0.231 -11.014
19 HG22 VAL 2 1HG2 VAL 2 10.634 -0.089 -11.941
20 HG23 VAL 2 2HG2 VAL 2 11.833 -1.362 -11.724
21 H ARG 3 H ARG 3 7.590 -0.559 -8.675
22 HA ARG 3 HA ARG 3 8.288 -1.414 -6.021
23 HB2 ARG 3 2HB ARG 3 6.444 -0.138 -4.976
24 HB3 ARG 3 1HB ARG 3 7.671 0.929 -5.636
25 HG2 ARG 3 2HG ARG 3 6.251 1.388 -7.567
26 HG3 ARG 3 1HG ARG 3 5.032 0.277 -6.943
27 HD2 ARG 3 2HD ARG 3 4.807 1.687 -4.939
28 HD3 ARG 3 1HD ARG 3 5.985 2.812 -5.613
29 HE ARG 3 HE ARG 3 4.227 2.777 -7.556
30 HH11 ARG 3 1HH1 ARG 3 3.695 3.061 -4.078
31 HH12 ARG 3 2HH1 ARG 3 2.171 3.817 -4.210
32 HH21 ARG 3 1HH2 ARG 3 2.133 3.934 -7.741
33 HH22 ARG 3 2HH2 ARG 3 1.300 4.358 -6.314
34 H GLY 4 H GLY 4 6.862 -3.001 -5.284
35 HA2 GLY 4 2HA GLY 4 4.790 -3.786 -7.218
36 HA3 GLY 4 1HA GLY 4 5.863 -4.956 -6.454
37 H CYS 5 H CYS 5 3.331 -2.573 -5.810
38 HA CYS 5 HA CYS 5 2.326 -4.268 -3.738
39 HB2 CYS 5 2HB CYS 5 2.101 -2.144 -2.310
40 HB3 CYS 5 1HB CYS 5 3.648 -2.978 -2.309
41 H TRP 6 H TRP 6 0.166 -4.176 -3.515
42 HA TRP 6 HA TRP 6 -1.283 -2.093 -4.774
43 HB2 TRP 6 2HB TRP 6 -1.468 -3.119 -6.764
44 HB3 TRP 6 1HB TRP 6 -0.521 -4.448 -6.168
45 HD1 TRP 6 HD TRP 6 -1.960 -6.553 -5.166
46 HE1 TRP 6 1HE TRP 6 -4.239 -7.481 -6.040
47 HE3 TRP 6 3HE TRP 6 -3.546 -2.463 -7.655
48 HZ2 TRP 6 2HZ TRP 6 -6.406 -6.527 -7.609
49 HZ3 TRP 6 3HZ TRP 6 -5.665 -2.460 -8.786
50 HH2 TRP 6 HH TRP 6 -7.105 -4.482 -8.801
51 H THR 7 H THR 7 -3.504 -1.972 -3.970
52 HA THR 7 HA THR 7 -3.583 -3.365 -1.464
53 HB THR 7 HB THR 7 -5.201 -1.687 -0.686
54 HG1 THR 7 1HG THR 7 -5.710 0.079 -2.084
55 HG21 THR 7 3HG2 THR 7 -3.061 -0.354 -2.279
56 HG22 THR 7 1HG2 THR 7 -2.816 -1.064 -0.668
57 HG23 THR 7 2HG2 THR 7 -3.903 0.329 -0.894
58 H LYS 8 H LYS 8 -4.311 -5.285 -1.748
59 HA LYS 8 HA LYS 8 -6.602 -5.835 -3.321
60 HB2 LYS 8 2HB LYS 8 -6.523 -8.120 -1.951
61 HB3 LYS 8 1HB LYS 8 -5.380 -7.783 -3.227
62 HG2 LYS 8 2HG LYS 8 -4.205 -8.797 -1.385
63 HG3 LYS 8 1HG LYS 8 -3.700 -7.123 -1.505
64 HD2 LYS 8 2HD LYS 8 -3.961 -7.712 0.821
65 HD3 LYS 8 1HD LYS 8 -5.241 -6.586 0.381
66 HE2 LYS 8 2HE LYS 8 -6.136 -8.365 1.773
67 HE3 LYS 8 1HE LYS 8 -6.804 -8.487 0.150
68 HZ1 LYS 8 3HZ LYS 8 -4.571 -10.110 1.238
69 HZ2 LYS 8 1HZ LYS 8 -5.207 -10.249 -0.326
70 HZ3 LYS 8 2HZ LYS 8 -6.160 -10.642 1.017
71 H SER 9 H SER 9 -8.436 -5.013 -2.899
72 HA SER 9 HA SER 9 -9.777 -5.398 -0.422
73 HB2 SER 9 2HB SER 9 -10.052 -2.879 -0.132
74 HB3 SER 9 1HB SER 9 -8.437 -3.493 0.233
75 HG SER 9 HG SER 9 -7.909 -2.921 -1.994
76 H TYR 10 H TYR 10 -11.771 -3.451 -0.903
77 HA TYR 10 HA TYR 10 -12.397 -3.771 -3.710
78 HB2 TYR 10 2HB TYR 10 -13.718 -5.449 -2.436
79 HB3 TYR 10 1HB TYR 10 -14.375 -4.161 -1.434
80 HD1 TYR 10 2HD TYR 10 -14.293 -5.513 -4.881
81 HD2 TYR 10 1HD TYR 10 -16.256 -2.891 -2.164
82 HE1 TYR 10 2HE TYR 10 -16.119 -5.211 -6.499
83 HE2 TYR 10 1HE TYR 10 -18.087 -2.583 -3.777
84 HH TYR 10 HH TYR 10 -18.506 -4.556 -6.492
85 HA PRO 11 HA PRO 11 -12.671 -2.736 -5.204
86 HB2 PRO 11 2HB PRO 11 -11.608 -0.272 -6.263
87 HB3 PRO 11 1HB PRO 11 -12.985 -1.270 -6.797
88 HG2 PRO 11 2HG PRO 11 -13.323 1.208 -5.698
89 HG3 PRO 11 1HG PRO 11 -14.520 -0.098 -5.566
90 HD2 PRO 11 2HD PRO 11 -12.477 0.770 -3.560
91 HD3 PRO 11 1HD PRO 11 -14.180 0.318 -3.316
92 HA PRO 12 HA PRO 12 -8.315 -2.998 -4.347
93 HB2 PRO 12 2HB PRO 12 -7.622 -4.641 -6.398
94 HB3 PRO 12 1HB PRO 12 -8.553 -5.218 -5.004
95 HG2 PRO 12 2HG PRO 12 -9.466 -4.678 -7.746
96 HG3 PRO 12 1HG PRO 12 -10.109 -5.800 -6.534
97 HD2 PRO 12 2HD PRO 12 -11.182 -3.251 -7.165
98 HD3 PRO 12 1HD PRO 12 -11.648 -4.242 -5.825
99 H LYS 13 H LYS 13 -6.502 -1.815 -4.897
100 HA LYS 13 HA LYS 13 -6.292 -0.611 -7.558
101 HB2 LYS 13 2HB LYS 13 -7.900 0.659 -5.942
102 HB3 LYS 13 1HB LYS 13 -6.401 0.935 -5.059
103 HG2 LYS 13 2HG LYS 13 -6.669 1.851 -7.908
104 HG3 LYS 13 1HG LYS 13 -7.385 2.800 -6.619
105 HD2 LYS 13 2HD LYS 13 -4.499 1.996 -6.698
106 HD3 LYS 13 1HD LYS 13 -5.079 3.503 -7.402
107 HE2 LYS 13 2HE LYS 13 -4.232 4.051 -5.231
108 HE3 LYS 13 1HE LYS 13 -5.984 4.094 -5.108
109 HZ1 LYS 13 3HZ LYS 13 -4.247 1.849 -4.223
110 HZ2 LYS 13 1HZ LYS 13 -5.918 1.936 -3.958
111 HZ3 LYS 13 2HZ LYS 13 -4.939 3.019 -3.217
112 HA PRO 14 HA PRO 14 -1.944 -1.254 -6.433
113 HB2 PRO 14 2HB PRO 14 -0.769 1.020 -7.508
114 HB3 PRO 14 1HB PRO 14 -1.085 -0.476 -8.392
115 HG2 PRO 14 2HG PRO 14 -2.728 2.001 -8.352
116 HG3 PRO 14 1HG PRO 14 -2.367 0.906 -9.701
117 HD2 PRO 14 2HD PRO 14 -4.738 0.804 -8.512
118 HD3 PRO 14 1HD PRO 14 -3.912 -0.688 -9.008
119 H CYS 15 H CYS 15 -0.093 -0.282 -5.150
120 HA CYS 15 HA CYS 15 -1.102 0.553 -2.756
121 HB2 CYS 15 2HB CYS 15 1.289 0.880 -2.057
122 HB3 CYS 15 1HB CYS 15 0.816 -0.702 -2.664
123 H PHE 16 H PHE 16 -1.608 2.129 -1.909
124 HA PHE 16 HA PHE 16 -0.396 4.716 -2.158
125 HB2 PHE 16 2HB PHE 16 -2.276 4.616 -3.915
126 HB3 PHE 16 1HB PHE 16 -3.399 4.319 -2.601
127 HD1 PHE 16 2HD PHE 16 -0.815 6.796 -3.655
128 HD2 PHE 16 1HD PHE 16 -4.555 6.130 -1.733
129 HE1 PHE 16 2HE PHE 16 -1.112 9.224 -3.397
130 HE2 PHE 16 1HE PHE 16 -4.858 8.556 -1.472
131 HZ PHE 16 HZ PHE 16 -3.135 10.106 -2.304
132 H VAL 17 H VAL 17 -2.445 5.913 -0.418
133 HA VAL 17 HA VAL 17 -1.835 4.430 1.986
134 HB VAL 17 HB VAL 17 -3.487 6.983 1.769
135 HG11 VAL 17 1HG1 VAL 17 -3.671 5.919 3.946
136 HG12 VAL 17 2HG1 VAL 17 -2.771 7.431 4.073
137 HG13 VAL 17 3HG1 VAL 17 -1.914 5.890 4.100
138 HG21 VAL 17 3HG2 VAL 17 -1.348 7.365 0.685
139 HG22 VAL 17 1HG2 VAL 17 -0.496 6.755 2.104
140 HG23 VAL 17 2HG2 VAL 17 -1.425 8.250 2.209
141 H ARG 18 H ARG 18 -3.903 4.103 -0.197
142 HA ARG 18 HA ARG 18 -5.634 2.301 1.034
143 HB2 ARG 18 2HB ARG 18 -6.754 4.497 1.771
144 HB3 ARG 18 1HB ARG 18 -6.955 4.896 0.075
145 HG2 ARG 18 2HG ARG 18 -8.163 2.425 1.322
146 HG3 ARG 18 1HG ARG 18 -8.997 3.976 1.268
147 HD2 ARG 18 2HD ARG 18 -9.109 3.948 -1.079
148 HD3 ARG 18 1HD ARG 18 -7.897 2.681 -1.207
149 HE ARG 18 HE ARG 18 -10.670 2.342 -0.324
150 HH11 ARG 18 1HH1 ARG 18 -7.585 0.923 -1.428
151 HH12 ARG 18 2HH1 ARG 18 -8.299 -0.553 -1.905
152 HH21 ARG 18 1HH2 ARG 18 -11.624 0.204 -1.073
153 HH22 ARG 18 2HH2 ARG 18 -10.534 -0.898 -1.785
Start of MODEL 5
1 H1 LEU 1 H LEU 1 5.359 -4.779 -0.689
2 HA LEU 1 HA LEU 1 7.269 -4.381 0.659
3 HB2 LEU 1 2HB LEU 1 8.303 -3.064 -1.883
4 HB3 LEU 1 1HB LEU 1 8.970 -2.756 -0.303
5 HG LEU 1 HG LEU 1 9.609 -5.212 -0.217
6 HD11 LEU 1 1HD1 LEU 1 9.868 -6.368 -2.368
7 HD12 LEU 1 2HD1 LEU 1 8.898 -5.114 -3.143
8 HD13 LEU 1 3HD1 LEU 1 8.189 -6.151 -1.904
9 HD21 LEU 1 3HD2 LEU 1 11.594 -4.894 -1.615
10 HD22 LEU 1 1HD2 LEU 1 11.232 -3.471 -0.638
11 HD23 LEU 1 2HD2 LEU 1 10.835 -3.485 -2.356
12 H VAL 2 H VAL 2 7.880 -1.784 1.075
13 HA VAL 2 HA VAL 2 5.331 -0.540 1.218
14 HB VAL 2 HB VAL 2 7.053 -0.164 2.969
15 HG11 VAL 2 1HG1 VAL 2 8.632 1.271 0.847
16 HG12 VAL 2 2HG1 VAL 2 9.068 -0.240 1.643
17 HG13 VAL 2 3HG1 VAL 2 9.009 1.259 2.569
18 HG21 VAL 2 3HG2 VAL 2 6.882 2.289 3.165
19 HG22 VAL 2 1HG2 VAL 2 5.349 1.548 2.703
20 HG23 VAL 2 2HG2 VAL 2 6.331 2.368 1.491
21 H ARG 3 H ARG 3 4.485 1.004 -0.086
22 HA ARG 3 HA ARG 3 4.093 2.329 -1.859
23 HB2 ARG 3 2HB ARG 3 6.395 3.334 -1.299
24 HB3 ARG 3 1HB ARG 3 7.072 2.259 -2.492
25 HG2 ARG 3 2HG ARG 3 4.993 4.330 -3.216
26 HG3 ARG 3 1HG ARG 3 6.692 4.738 -3.099
27 HD2 ARG 3 2HD ARG 3 6.386 4.369 -5.383
28 HD3 ARG 3 1HD ARG 3 7.028 2.830 -4.832
29 HE ARG 3 HE ARG 3 4.250 2.667 -4.751
30 HH11 ARG 3 1HH1 ARG 3 6.791 2.943 -7.190
31 HH12 ARG 3 2HH1 ARG 3 5.887 2.213 -8.433
32 HH21 ARG 3 1HH2 ARG 3 2.988 1.701 -6.420
33 HH22 ARG 3 2HH2 ARG 3 3.630 1.463 -7.974
34 H GLY 4 H GLY 4 6.550 -0.072 -2.671
35 HA2 GLY 4 2HA GLY 4 5.244 -0.677 -5.187
36 HA3 GLY 4 1HA GLY 4 6.676 -1.473 -4.537
37 H CYS 5 H CYS 5 3.189 -1.217 -4.200
38 HA CYS 5 HA CYS 5 2.900 -4.024 -3.940
39 HB2 CYS 5 2HB CYS 5 1.363 -3.664 -2.019
40 HB3 CYS 5 1HB CYS 5 3.084 -3.677 -1.576
41 H TRP 6 H TRP 6 0.345 -4.247 -3.412
42 HA TRP 6 HA TRP 6 -1.100 -2.252 -4.788
43 HB2 TRP 6 2HB TRP 6 -1.272 -3.363 -6.775
44 HB3 TRP 6 1HB TRP 6 -0.108 -4.509 -6.167
45 HD1 TRP 6 HD TRP 6 -0.966 -6.874 -5.545
46 HE1 TRP 6 1HE TRP 6 -3.199 -8.102 -6.041
47 HE3 TRP 6 3HE TRP 6 -3.752 -2.862 -6.863
48 HZ2 TRP 6 2HZ TRP 6 -5.820 -7.390 -6.897
49 HZ3 TRP 6 3HZ TRP 6 -6.059 -3.129 -7.484
50 HH2 TRP 6 HH TRP 6 -7.109 -5.403 -7.527
51 H THR 7 H THR 7 -3.195 -2.141 -3.947
52 HA THR 7 HA THR 7 -3.420 -3.770 -1.573
53 HB THR 7 HB THR 7 -4.922 -2.087 -0.662
54 HG1 THR 7 1HG THR 7 -4.851 -0.880 -3.241
55 HG21 THR 7 3HG2 THR 7 -2.512 -1.494 -0.689
56 HG22 THR 7 1HG2 THR 7 -3.558 -0.067 -0.737
57 HG23 THR 7 2HG2 THR 7 -2.780 -0.615 -2.202
58 H LYS 8 H LYS 8 -4.603 -5.480 -1.626
59 HA LYS 8 HA LYS 8 -6.732 -5.589 -3.565
60 HB2 LYS 8 2HB LYS 8 -5.407 -7.569 -3.699
61 HB3 LYS 8 1HB LYS 8 -5.447 -7.807 -1.959
62 HG2 LYS 8 2HG LYS 8 -6.894 -9.392 -3.262
63 HG3 LYS 8 1HG LYS 8 -7.745 -8.476 -2.021
64 HD2 LYS 8 2HD LYS 8 -8.422 -6.857 -3.840
65 HD3 LYS 8 1HD LYS 8 -7.777 -8.014 -5.007
66 HE2 LYS 8 2HE LYS 8 -9.380 -9.651 -4.385
67 HE3 LYS 8 1HE LYS 8 -9.855 -8.739 -2.951
68 HZ1 LYS 8 3HZ LYS 8 -10.745 -7.022 -4.356
69 HZ2 LYS 8 1HZ LYS 8 -11.477 -8.505 -4.718
70 HZ3 LYS 8 2HZ LYS 8 -10.298 -7.865 -5.760
71 H SER 9 H SER 9 -8.423 -4.655 -2.966
72 HA SER 9 HA SER 9 -9.865 -5.613 -0.644
73 HB2 SER 9 2HB SER 9 -8.632 -3.498 0.005
74 HB3 SER 9 1HB SER 9 -9.439 -2.665 -1.320
75 HG SER 9 HG SER 9 -10.408 -2.453 0.830
76 H TYR 10 H TYR 10 -11.892 -3.610 -1.174
77 HA TYR 10 HA TYR 10 -12.551 -3.744 -3.963
78 HB2 TYR 10 2HB TYR 10 -13.589 -5.814 -3.045
79 HB3 TYR 10 1HB TYR 10 -14.437 -4.850 -1.845
80 HD1 TYR 10 2HD TYR 10 -14.112 -5.358 -5.516
81 HD2 TYR 10 1HD TYR 10 -16.550 -3.929 -2.334
82 HE1 TYR 10 2HE TYR 10 -15.976 -5.044 -7.089
83 HE2 TYR 10 1HE TYR 10 -18.418 -3.609 -3.900
84 HH TYR 10 HH TYR 10 -18.781 -3.287 -6.294
85 HA PRO 11 HA PRO 11 -12.863 -2.355 -5.226
86 HB2 PRO 11 2HB PRO 11 -11.800 0.306 -5.515
87 HB3 PRO 11 1HB PRO 11 -13.085 -0.536 -6.414
88 HG2 PRO 11 2HG PRO 11 -13.604 1.562 -4.733
89 HG3 PRO 11 1HG PRO 11 -14.766 0.271 -5.098
90 HD2 PRO 11 2HD PRO 11 -13.003 0.578 -2.705
91 HD3 PRO 11 1HD PRO 11 -14.692 0.033 -2.804
92 HA PRO 12 HA PRO 12 -8.570 -2.756 -4.064
93 HB2 PRO 12 2HB PRO 12 -7.767 -4.186 -6.164
94 HB3 PRO 12 1HB PRO 12 -8.882 -4.876 -4.968
95 HG2 PRO 12 2HG PRO 12 -9.449 -3.978 -7.716
96 HG3 PRO 12 1HG PRO 12 -10.273 -5.199 -6.728
97 HD2 PRO 12 2HD PRO 12 -11.121 -2.504 -7.136
98 HD3 PRO 12 1HD PRO 12 -11.831 -3.662 -6.052
99 H LYS 13 H LYS 13 -6.503 -1.876 -4.614
100 HA LYS 13 HA LYS 13 -6.382 -0.183 -6.976
101 HB2 LYS 13 2HB LYS 13 -7.599 1.164 -5.438
102 HB3 LYS 13 1HB LYS 13 -6.482 0.716 -4.160
103 HG2 LYS 13 2HG LYS 13 -6.256 3.072 -4.935
104 HG3 LYS 13 1HG LYS 13 -4.776 2.130 -5.084
105 HD2 LYS 13 2HD LYS 13 -5.147 1.834 -7.428
106 HD3 LYS 13 1HD LYS 13 -6.714 2.646 -7.336
107 HE2 LYS 13 2HE LYS 13 -4.827 4.084 -8.182
108 HE3 LYS 13 1HE LYS 13 -5.692 4.731 -6.789
109 HZ1 LYS 13 3HZ LYS 13 -3.325 4.971 -6.539
110 HZ2 LYS 13 1HZ LYS 13 -3.073 3.282 -6.599
111 HZ3 LYS 13 2HZ LYS 13 -3.976 4.034 -5.365
112 HA PRO 14 HA PRO 14 -2.032 -1.541 -6.426
113 HB2 PRO 14 2HB PRO 14 -1.048 0.372 -8.233
114 HB3 PRO 14 1HB PRO 14 -1.521 -1.286 -8.654
115 HG2 PRO 14 2HG PRO 14 -3.074 1.224 -8.942
116 HG3 PRO 14 1HG PRO 14 -3.020 -0.202 -9.997
117 HD2 PRO 14 2HD PRO 14 -5.107 0.190 -8.434
118 HD3 PRO 14 1HD PRO 14 -4.438 -1.430 -8.652
119 H CYS 15 H CYS 15 -0.335 -0.759 -5.128
120 HA CYS 15 HA CYS 15 -0.893 1.388 -3.425
121 HB2 CYS 15 2HB CYS 15 1.367 -0.314 -3.985
122 HB3 CYS 15 1HB CYS 15 1.679 0.871 -2.800
123 H PHE 16 H PHE 16 -0.625 3.214 -3.721
124 HA PHE 16 HA PHE 16 1.695 4.499 -4.901
125 HB2 PHE 16 2HB PHE 16 -1.096 5.016 -6.001
126 HB3 PHE 16 1HB PHE 16 0.228 6.142 -6.212
127 HD1 PHE 16 1HD PHE 16 2.284 5.321 -7.472
128 HD2 PHE 16 2HD PHE 16 -1.438 3.263 -7.502
129 HE1 PHE 16 1HE PHE 16 2.944 4.165 -9.539
130 HE2 PHE 16 2HE PHE 16 -0.783 2.101 -9.565
131 HZ PHE 16 HZ PHE 16 1.410 2.550 -10.587
132 H VAL 17 H VAL 17 1.054 7.104 -4.701
133 HA VAL 17 HA VAL 17 0.269 7.345 -1.914
134 HB VAL 17 HB VAL 17 1.088 9.701 -2.067
135 HG11 VAL 17 1HG1 VAL 17 3.052 7.652 -3.087
136 HG12 VAL 17 2HG1 VAL 17 2.655 7.967 -1.399
137 HG13 VAL 17 3HG1 VAL 17 3.477 9.199 -2.357
138 HG21 VAL 17 3HG2 VAL 17 0.571 10.120 -4.425
139 HG22 VAL 17 1HG2 VAL 17 1.814 8.969 -4.913
140 HG23 VAL 17 2HG2 VAL 17 2.269 10.461 -4.091
141 H ARG 18 H ARG 18 -1.231 7.066 -4.477
142 HA ARG 18 HA ARG 18 -3.591 8.358 -3.651
143 HB2 ARG 18 2HB ARG 18 -2.633 10.230 -4.920
144 HB3 ARG 18 1HB ARG 18 -2.335 9.178 -6.291
145 HG2 ARG 18 2HG ARG 18 -4.286 10.629 -6.660
146 HG3 ARG 18 1HG ARG 18 -4.732 8.928 -6.662
147 HD2 ARG 18 2HD ARG 18 -5.065 10.772 -4.279
148 HD3 ARG 18 1HD ARG 18 -6.341 10.426 -5.442
149 HE ARG 18 HE ARG 18 -5.463 7.976 -4.572
150 HH11 ARG 18 1HH1 ARG 18 -6.925 10.770 -3.005
151 HH12 ARG 18 2HH1 ARG 18 -7.567 9.893 -1.690
152 HH21 ARG 18 1HH2 ARG 18 -6.251 6.785 -2.867
153 HH22 ARG 18 2HH2 ARG 18 -7.167 7.474 -1.596
Start of MODEL 6
1 H1 LEU 1 H LEU 1 8.070 8.426 -2.700
2 HA LEU 1 HA LEU 1 9.806 7.079 -3.843
3 HB2 LEU 1 2HB LEU 1 9.334 7.034 -1.374
4 HB3 LEU 1 1HB LEU 1 8.177 5.755 -1.636
5 HG LEU 1 HG LEU 1 10.036 4.283 -2.396
6 HD11 LEU 1 1HD1 LEU 1 12.343 4.949 -1.930
7 HD12 LEU 1 2HD1 LEU 1 11.789 6.571 -1.511
8 HD13 LEU 1 3HD1 LEU 1 11.602 5.971 -3.160
9 HD21 LEU 1 3HD2 LEU 1 10.358 5.489 0.349
10 HD22 LEU 1 1HD2 LEU 1 10.984 3.924 -0.166
11 HD23 LEU 1 2HD2 LEU 1 9.244 4.197 -0.097
12 H VAL 2 H VAL 2 10.109 4.550 -4.259
13 HA VAL 2 HA VAL 2 7.820 3.731 -5.853
14 HB VAL 2 HB VAL 2 9.440 2.302 -7.122
15 HG11 VAL 2 1HG1 VAL 2 8.792 4.469 -8.012
16 HG12 VAL 2 2HG1 VAL 2 10.479 4.133 -8.400
17 HG13 VAL 2 3HG1 VAL 2 10.079 5.251 -7.095
18 HG21 VAL 2 3HG2 VAL 2 11.546 3.817 -5.563
19 HG22 VAL 2 1HG2 VAL 2 11.857 2.743 -6.927
20 HG23 VAL 2 2HG2 VAL 2 11.198 2.094 -5.424
21 H ARG 3 H ARG 3 6.892 1.777 -5.477
22 HA ARG 3 HA ARG 3 8.160 -0.268 -3.980
23 HB2 ARG 3 2HB ARG 3 7.497 1.251 -2.135
24 HB3 ARG 3 1HB ARG 3 5.843 1.239 -2.722
25 HG2 ARG 3 2HG ARG 3 5.618 -1.093 -2.175
26 HG3 ARG 3 1HG ARG 3 7.322 -1.188 -1.730
27 HD2 ARG 3 2HD ARG 3 5.875 -1.019 0.244
28 HD3 ARG 3 1HD ARG 3 6.954 0.363 0.107
29 HE ARG 3 HE ARG 3 4.636 1.115 -1.134
30 HH11 ARG 3 1HH1 ARG 3 5.433 -0.060 2.087
31 HH12 ARG 3 2HH1 ARG 3 4.274 0.859 2.926
32 HH21 ARG 3 1HH2 ARG 3 2.993 2.480 0.008
33 HH22 ARG 3 2HH2 ARG 3 2.843 2.346 1.682
34 H GLY 4 H GLY 4 7.393 -2.094 -4.824
35 HA2 GLY 4 2HA GLY 4 5.127 -1.909 -6.617
36 HA3 GLY 4 1HA GLY 4 6.248 -3.254 -6.473
37 H CYS 5 H CYS 5 3.396 -1.730 -5.096
38 HA CYS 5 HA CYS 5 2.479 -4.332 -4.298
39 HB2 CYS 5 2HB CYS 5 1.641 -3.240 -2.169
40 HB3 CYS 5 1HB CYS 5 3.320 -3.781 -2.178
41 H TRP 6 H TRP 6 0.209 -4.237 -3.592
42 HA TRP 6 HA TRP 6 -1.277 -2.170 -4.827
43 HB2 TRP 6 2HB TRP 6 -1.327 -3.193 -6.827
44 HB3 TRP 6 1HB TRP 6 -0.455 -4.561 -6.193
45 HD1 TRP 6 HD TRP 6 -1.920 -6.637 -5.417
46 HE1 TRP 6 1HE TRP 6 -4.256 -7.453 -6.306
47 HE3 TRP 6 3HE TRP 6 -3.455 -2.359 -7.586
48 HZ2 TRP 6 2HZ TRP 6 -6.422 -6.340 -7.751
49 HZ3 TRP 6 3HZ TRP 6 -5.596 -2.222 -8.660
50 HH2 TRP 6 HH TRP 6 -7.090 -4.200 -8.783
51 H THR 7 H THR 7 -3.460 -2.128 -3.989
52 HA THR 7 HA THR 7 -3.490 -3.587 -1.508
53 HB THR 7 HB THR 7 -5.103 -1.984 -0.657
54 HG1 THR 7 1HG THR 7 -6.435 -1.680 -2.419
55 HG21 THR 7 3HG2 THR 7 -3.092 -0.495 -2.336
56 HG22 THR 7 1HG2 THR 7 -2.781 -1.160 -0.728
57 HG23 THR 7 2HG2 THR 7 -3.945 0.157 -0.953
58 H LYS 8 H LYS 8 -4.455 -5.389 -1.433
59 HA LYS 8 HA LYS 8 -6.580 -6.049 -3.235
60 HB2 LYS 8 2HB LYS 8 -6.655 -8.218 -1.932
61 HB3 LYS 8 1HB LYS 8 -5.093 -7.861 -2.647
62 HG2 LYS 8 2HG LYS 8 -4.265 -7.106 -0.459
63 HG3 LYS 8 1HG LYS 8 -5.837 -7.453 0.252
64 HD2 LYS 8 2HD LYS 8 -4.303 -9.264 0.744
65 HD3 LYS 8 1HD LYS 8 -5.546 -9.837 -0.366
66 HE2 LYS 8 2HE LYS 8 -3.997 -9.604 -2.240
67 HE3 LYS 8 1HE LYS 8 -2.763 -8.962 -1.156
68 HZ1 LYS 8 3HZ LYS 8 -2.402 -11.304 -1.624
69 HZ2 LYS 8 1HZ LYS 8 -3.939 -11.688 -1.023
70 HZ3 LYS 8 2HZ LYS 8 -2.753 -11.077 0.014
71 H SER 9 H SER 9 -8.397 -5.051 -2.932
72 HA SER 9 HA SER 9 -9.750 -5.080 -0.417
73 HB2 SER 9 2HB SER 9 -9.950 -2.527 -0.509
74 HB3 SER 9 1HB SER 9 -8.375 -3.148 -0.018
75 HG SER 9 HG SER 9 -9.142 -1.985 -2.495
76 H TYR 10 H TYR 10 -11.756 -3.342 -1.005
77 HA TYR 10 HA TYR 10 -12.461 -3.760 -3.773
78 HB2 TYR 10 2HB TYR 10 -13.613 -5.542 -2.473
79 HB3 TYR 10 1HB TYR 10 -14.310 -4.316 -1.421
80 HD1 TYR 10 2HD TYR 10 -14.238 -5.493 -4.945
81 HD2 TYR 10 1HD TYR 10 -16.362 -3.294 -1.985
82 HE1 TYR 10 2HE TYR 10 -16.158 -5.302 -6.470
83 HE2 TYR 10 1HE TYR 10 -18.286 -3.097 -3.502
84 HH TYR 10 HH TYR 10 -18.762 -3.186 -5.898
85 HA PRO 11 HA PRO 11 -12.755 -2.657 -5.253
86 HB2 PRO 11 2HB PRO 11 -11.635 -0.172 -6.167
87 HB3 PRO 11 1HB PRO 11 -13.027 -1.111 -6.761
88 HG2 PRO 11 2HG PRO 11 -13.310 1.320 -5.529
89 HG3 PRO 11 1HG PRO 11 -14.551 0.052 -5.516
90 HD2 PRO 11 2HD PRO 11 -12.558 0.736 -3.394
91 HD3 PRO 11 1HD PRO 11 -14.275 0.301 -3.236
92 HA PRO 12 HA PRO 12 -8.410 -3.107 -4.425
93 HB2 PRO 12 2HB PRO 12 -7.772 -4.599 -6.612
94 HB3 PRO 12 1HB PRO 12 -8.708 -5.262 -5.259
95 HG2 PRO 12 2HG PRO 12 -9.629 -4.470 -7.936
96 HG3 PRO 12 1HG PRO 12 -10.283 -5.683 -6.822
97 HD2 PRO 12 2HD PRO 12 -11.317 -3.079 -7.217
98 HD3 PRO 12 1HD PRO 12 -11.775 -4.161 -5.946
99 H LYS 13 H LYS 13 -6.585 -1.943 -4.900
100 HA LYS 13 HA LYS 13 -6.369 -0.485 -7.411
101 HB2 LYS 13 2HB LYS 13 -8.027 0.697 -5.949
102 HB3 LYS 13 1HB LYS 13 -6.782 0.765 -4.725
103 HG2 LYS 13 2HG LYS 13 -6.485 2.149 -7.377
104 HG3 LYS 13 1HG LYS 13 -7.361 2.878 -6.043
105 HD2 LYS 13 2HD LYS 13 -4.524 1.952 -5.962
106 HD3 LYS 13 1HD LYS 13 -4.993 3.634 -6.240
107 HE2 LYS 13 2HE LYS 13 -4.499 3.634 -3.934
108 HE3 LYS 13 1HE LYS 13 -6.240 3.390 -3.938
109 HZ1 LYS 13 3HZ LYS 13 -4.973 1.907 -2.383
110 HZ2 LYS 13 1HZ LYS 13 -4.219 1.234 -3.710
111 HZ3 LYS 13 2HZ LYS 13 -5.862 0.982 -3.459
112 HA PRO 14 HA PRO 14 -2.035 -1.280 -6.368
113 HB2 PRO 14 2HB PRO 14 -0.799 0.971 -7.395
114 HB3 PRO 14 1HB PRO 14 -1.276 -0.433 -8.361
115 HG2 PRO 14 2HG PRO 14 -2.740 2.134 -8.003
116 HG3 PRO 14 1HG PRO 14 -2.496 1.171 -9.475
117 HD2 PRO 14 2HD PRO 14 -4.817 1.070 -8.201
118 HD3 PRO 14 1HD PRO 14 -4.098 -0.404 -8.882
119 H CYS 15 H CYS 15 -0.034 -0.214 -5.116
120 HA CYS 15 HA CYS 15 -1.250 1.257 -2.962
121 HB2 CYS 15 2HB CYS 15 0.685 0.677 -1.658
122 HB3 CYS 15 1HB CYS 15 0.139 -0.781 -2.475
123 H PHE 16 H PHE 16 0.451 2.745 -1.998
124 HA PHE 16 HA PHE 16 1.888 4.304 -3.969
125 HB2 PHE 16 2HB PHE 16 0.829 6.444 -3.219
126 HB3 PHE 16 1HB PHE 16 -0.298 5.381 -4.043
127 HD1 PHE 16 1HD PHE 16 -2.112 4.297 -2.802
128 HD2 PHE 16 2HD PHE 16 0.577 6.984 -0.880
129 HE1 PHE 16 1HE PHE 16 -3.665 4.490 -0.906
130 HE2 PHE 16 2HE PHE 16 -0.971 7.178 1.021
131 HZ PHE 16 HZ PHE 16 -3.095 5.930 1.009
132 H VAL 17 H VAL 17 3.238 5.985 -2.877
133 HA VAL 17 HA VAL 17 3.582 5.984 -0.105
134 HB VAL 17 HB VAL 17 4.594 3.780 -0.436
135 HG11 VAL 17 1HG1 VAL 17 6.408 5.081 -2.444
136 HG12 VAL 17 2HG1 VAL 17 5.193 3.838 -2.739
137 HG13 VAL 17 3HG1 VAL 17 6.629 3.458 -1.788
138 HG21 VAL 17 3HG2 VAL 17 6.702 5.874 0.094
139 HG22 VAL 17 1HG2 VAL 17 6.846 4.163 0.500
140 HG23 VAL 17 2HG2 VAL 17 5.614 5.154 1.280
141 H ARG 18 H ARG 18 4.622 7.793 0.488
142 HA ARG 18 HA ARG 18 5.340 9.669 -1.600
143 HB2 ARG 18 2HB ARG 18 3.851 10.148 0.459
144 HB3 ARG 18 1HB ARG 18 5.315 10.064 1.406
145 HG2 ARG 18 2HG ARG 18 4.674 12.116 -0.735
146 HG3 ARG 18 1HG ARG 18 4.631 12.377 0.998
147 HD2 ARG 18 2HD ARG 18 7.029 11.981 -0.791
148 HD3 ARG 18 1HD ARG 18 6.638 13.375 0.210
149 HE ARG 18 HE ARG 18 7.377 10.732 1.259
150 HH11 ARG 18 1HH1 ARG 18 7.673 14.246 1.452
151 HH12 ARG 18 2HH1 ARG 18 8.832 14.245 2.706
152 HH21 ARG 18 1HH2 ARG 18 8.918 10.679 2.899
153 HH22 ARG 18 2HH2 ARG 18 9.593 12.086 3.592
Start of MODEL 7
1 H1 LEU 1 H LEU 1 4.869 7.923 -8.300
2 HA LEU 1 HA LEU 1 4.246 6.300 -9.928
3 HB2 LEU 1 2HB LEU 1 6.951 5.548 -8.795
4 HB3 LEU 1 1HB LEU 1 6.392 5.190 -10.414
5 HG LEU 1 HG LEU 1 6.923 7.955 -9.317
6 HD11 LEU 1 1HD1 LEU 1 8.485 6.275 -11.270
7 HD12 LEU 1 2HD1 LEU 1 8.967 6.681 -9.623
8 HD13 LEU 1 3HD1 LEU 1 8.832 7.949 -10.841
9 HD21 LEU 1 3HD2 LEU 1 6.639 8.686 -11.647
10 HD22 LEU 1 1HD2 LEU 1 5.159 7.971 -11.009
11 HD23 LEU 1 2HD2 LEU 1 6.184 7.045 -12.103
12 H VAL 2 H VAL 2 4.421 3.875 -10.510
13 HA VAL 2 HA VAL 2 3.288 2.442 -8.234
14 HB VAL 2 HB VAL 2 2.983 1.890 -11.208
15 HG11 VAL 2 1HG1 VAL 2 1.505 0.703 -8.861
16 HG12 VAL 2 2HG1 VAL 2 2.687 -0.123 -9.872
17 HG13 VAL 2 3HG1 VAL 2 1.150 0.397 -10.561
18 HG21 VAL 2 3HG2 VAL 2 0.697 2.763 -10.971
19 HG22 VAL 2 1HG2 VAL 2 1.912 3.993 -10.619
20 HG23 VAL 2 2HG2 VAL 2 1.047 3.204 -9.300
21 H ARG 3 H ARG 3 4.042 0.429 -7.689
22 HA ARG 3 HA ARG 3 6.161 -0.831 -9.240
23 HB2 ARG 3 2HB ARG 3 6.155 -0.435 -6.215
24 HB3 ARG 3 1HB ARG 3 7.163 -1.601 -7.030
25 HG2 ARG 3 2HG ARG 3 8.554 0.229 -6.485
26 HG3 ARG 3 1HG ARG 3 8.248 0.368 -8.213
27 HD2 ARG 3 2HD ARG 3 6.592 2.072 -7.814
28 HD3 ARG 3 1HD ARG 3 6.748 1.861 -6.074
29 HE ARG 3 HE ARG 3 9.234 2.502 -7.247
30 HH11 ARG 3 1HH1 ARG 3 6.122 3.961 -6.382
31 HH12 ARG 3 2HH1 ARG 3 6.820 5.500 -6.094
32 HH21 ARG 3 1HH2 ARG 3 10.121 4.727 -6.770
33 HH22 ARG 3 2HH2 ARG 3 8.997 5.906 -6.235
34 H GLY 4 H GLY 4 6.331 -3.174 -7.795
35 HA2 GLY 4 2HA GLY 4 3.701 -4.281 -8.110
36 HA3 GLY 4 1HA GLY 4 5.133 -5.131 -7.529
37 H CYS 5 H CYS 5 2.653 -2.862 -6.622
38 HA CYS 5 HA CYS 5 2.415 -3.955 -3.937
39 HB2 CYS 5 2HB CYS 5 4.134 -2.134 -3.729
40 HB3 CYS 5 1HB CYS 5 3.035 -1.068 -4.549
41 H TRP 6 H TRP 6 0.288 -4.203 -3.731
42 HA TRP 6 HA TRP 6 -1.404 -2.164 -4.674
43 HB2 TRP 6 2HB TRP 6 -1.752 -3.015 -6.735
44 HB3 TRP 6 1HB TRP 6 -0.611 -4.268 -6.368
45 HD1 TRP 6 HD TRP 6 -1.746 -6.554 -5.297
46 HE1 TRP 6 1HE TRP 6 -3.973 -7.681 -6.093
47 HE3 TRP 6 3HE TRP 6 -3.816 -2.565 -7.507
48 HZ2 TRP 6 2HZ TRP 6 -6.314 -6.858 -7.537
49 HZ3 TRP 6 3HZ TRP 6 -5.953 -2.676 -8.545
50 HH2 TRP 6 HH TRP 6 -7.238 -4.825 -8.604
51 H THR 7 H THR 7 -3.479 -2.199 -3.794
52 HA THR 7 HA THR 7 -3.454 -3.736 -1.360
53 HB THR 7 HB THR 7 -5.110 -2.159 -0.527
54 HG1 THR 7 1HG THR 7 -6.461 -1.470 -1.981
55 HG21 THR 7 3HG2 THR 7 -2.752 -1.363 -0.589
56 HG22 THR 7 1HG2 THR 7 -3.930 -0.043 -0.706
57 HG23 THR 7 2HG2 THR 7 -3.115 -0.602 -2.150
58 H LYS 8 H LYS 8 -4.602 -5.525 -1.227
59 HA LYS 8 HA LYS 8 -6.669 -6.013 -3.184
60 HB2 LYS 8 2HB LYS 8 -5.085 -7.836 -2.191
61 HB3 LYS 8 1HB LYS 8 -6.078 -7.735 -0.749
62 HG2 LYS 8 2HG LYS 8 -7.080 -8.522 -3.500
63 HG3 LYS 8 1HG LYS 8 -6.682 -9.644 -2.205
64 HD2 LYS 8 2HD LYS 8 -8.482 -8.734 -0.838
65 HD3 LYS 8 1HD LYS 8 -8.825 -7.515 -2.062
66 HE2 LYS 8 2HE LYS 8 -9.398 -9.320 -3.647
67 HE3 LYS 8 1HE LYS 8 -9.122 -10.502 -2.366
68 HZ1 LYS 8 3HZ LYS 8 -11.142 -8.328 -2.303
69 HZ2 LYS 8 1HZ LYS 8 -10.888 -9.474 -1.084
70 HZ3 LYS 8 2HZ LYS 8 -11.470 -9.961 -2.597
71 H SER 9 H SER 9 -8.334 -4.782 -2.858
72 HA SER 9 HA SER 9 -9.704 -4.795 -0.283
73 HB2 SER 9 2HB SER 9 -9.128 -2.321 -1.960
74 HB3 SER 9 1HB SER 9 -9.944 -2.366 -0.397
75 HG SER 9 HG SER 9 -7.737 -3.542 0.088
76 H TYR 10 H TYR 10 -11.708 -2.949 -1.274
77 HA TYR 10 HA TYR 10 -12.451 -3.843 -3.869
78 HB2 TYR 10 2HB TYR 10 -13.528 -5.530 -2.364
79 HB3 TYR 10 1HB TYR 10 -14.330 -4.223 -1.501
80 HD1 TYR 10 2HD TYR 10 -14.096 -5.910 -4.794
81 HD2 TYR 10 1HD TYR 10 -16.378 -3.320 -2.306
82 HE1 TYR 10 2HE TYR 10 -15.957 -6.020 -6.396
83 HE2 TYR 10 1HE TYR 10 -18.245 -3.422 -3.902
84 HH TYR 10 HH TYR 10 -18.403 -5.695 -6.409
85 HA PRO 11 HA PRO 11 -12.578 -2.824 -5.421
86 HB2 PRO 11 2HB PRO 11 -11.498 -0.349 -6.414
87 HB3 PRO 11 1HB PRO 11 -12.771 -1.410 -7.066
88 HG2 PRO 11 2HG PRO 11 -13.307 1.079 -6.057
89 HG3 PRO 11 1HG PRO 11 -14.471 -0.261 -6.064
90 HD2 PRO 11 2HD PRO 11 -12.741 0.697 -3.822
91 HD3 PRO 11 1HD PRO 11 -14.438 0.168 -3.795
92 HA PRO 12 HA PRO 12 -8.308 -2.894 -4.094
93 HB2 PRO 12 2HB PRO 12 -7.418 -4.652 -6.000
94 HB3 PRO 12 1HB PRO 12 -8.364 -5.165 -4.595
95 HG2 PRO 12 2HG PRO 12 -9.173 -5.015 -7.388
96 HG3 PRO 12 1HG PRO 12 -9.897 -5.911 -6.044
97 HD2 PRO 12 2HD PRO 12 -10.828 -3.443 -7.164
98 HD3 PRO 12 1HD PRO 12 -11.502 -4.301 -5.820
99 H LYS 13 H LYS 13 -6.347 -1.852 -4.671
100 HA LYS 13 HA LYS 13 -6.085 -0.761 -7.369
101 HB2 LYS 13 2HB LYS 13 -7.669 0.615 -5.758
102 HB3 LYS 13 1HB LYS 13 -6.122 1.023 -5.023
103 HG2 LYS 13 2HG LYS 13 -6.591 1.554 -7.945
104 HG3 LYS 13 1HG LYS 13 -7.244 2.647 -6.731
105 HD2 LYS 13 2HD LYS 13 -4.377 1.841 -6.862
106 HD3 LYS 13 1HD LYS 13 -4.990 3.256 -7.724
107 HE2 LYS 13 2HE LYS 13 -5.714 4.256 -5.612
108 HE3 LYS 13 1HE LYS 13 -5.184 2.828 -4.726
109 HZ1 LYS 13 3HZ LYS 13 -3.368 4.600 -6.288
110 HZ2 LYS 13 1HZ LYS 13 -2.958 3.248 -5.363
111 HZ3 LYS 13 2HZ LYS 13 -3.552 4.625 -4.594
112 HA PRO 14 HA PRO 14 -1.655 -1.234 -6.181
113 HB2 PRO 14 2HB PRO 14 -0.660 1.056 -7.431
114 HB3 PRO 14 1HB PRO 14 -0.804 -0.531 -8.191
115 HG2 PRO 14 2HG PRO 14 -2.649 1.783 -8.413
116 HG3 PRO 14 1HG PRO 14 -2.183 0.585 -9.636
117 HD2 PRO 14 2HD PRO 14 -4.559 0.433 -8.474
118 HD3 PRO 14 1HD PRO 14 -3.618 -1.035 -8.808
119 H CYS 15 H CYS 15 -0.029 -0.108 -4.584
120 HA CYS 15 HA CYS 15 -1.680 1.367 -2.811
121 HB2 CYS 15 2HB CYS 15 0.203 1.240 -1.260
122 HB3 CYS 15 1HB CYS 15 -0.133 -0.329 -1.973
123 H PHE 16 H PHE 16 -0.012 3.036 -1.600
124 HA PHE 16 HA PHE 16 0.257 5.209 -3.563
125 HB2 PHE 16 2HB PHE 16 -0.339 5.386 -0.594
126 HB3 PHE 16 1HB PHE 16 -0.113 6.763 -1.661
127 HD1 PHE 16 2HD PHE 16 -1.819 7.349 -3.308
128 HD2 PHE 16 1HD PHE 16 -2.382 4.117 -0.595
129 HE1 PHE 16 2HE PHE 16 -4.227 7.350 -3.811
130 HE2 PHE 16 1HE PHE 16 -4.791 4.112 -1.094
131 HZ PHE 16 HZ PHE 16 -5.716 5.730 -2.703
132 H VAL 17 H VAL 17 2.345 5.314 -4.077
133 HA VAL 17 HA VAL 17 4.231 5.786 -1.973
134 HB VAL 17 HB VAL 17 4.382 3.362 -2.215
135 HG11 VAL 17 1HG1 VAL 17 5.058 2.280 -4.317
136 HG12 VAL 17 2HG1 VAL 17 4.852 3.828 -5.143
137 HG13 VAL 17 3HG1 VAL 17 3.468 3.038 -4.396
138 HG21 VAL 17 3HG2 VAL 17 6.751 4.713 -3.513
139 HG22 VAL 17 1HG2 VAL 17 6.763 3.097 -2.804
140 HG23 VAL 17 2HG2 VAL 17 6.483 4.508 -1.782
141 H ARG 18 H ARG 18 5.869 7.101 -2.593
142 HA ARG 18 HA ARG 18 5.449 8.602 -4.976
143 HB2 ARG 18 2HB ARG 18 6.116 9.715 -2.859
144 HB3 ARG 18 1HB ARG 18 7.633 8.840 -2.868
145 HG2 ARG 18 2HG ARG 18 6.986 10.621 -5.182
146 HG3 ARG 18 1HG ARG 18 7.491 11.348 -3.661
147 HD2 ARG 18 2HD ARG 18 9.059 9.203 -5.096
148 HD3 ARG 18 1HD ARG 18 9.333 10.928 -5.329
149 HE ARG 18 HE ARG 18 9.960 11.092 -3.040
150 HH11 ARG 18 1HH1 ARG 18 9.638 7.731 -4.099
151 HH12 ARG 18 2HH1 ARG 18 10.867 7.110 -3.113
152 HH21 ARG 18 1HH2 ARG 18 11.674 10.250 -1.604
153 HH22 ARG 18 2HH2 ARG 18 12.057 8.595 -1.631
Start of MODEL 8
1 H1 LEU 1 H LEU 1 11.516 -4.063 2.045
2 HA LEU 1 HA LEU 1 9.207 -3.849 2.491
3 HB2 LEU 1 2HB LEU 1 9.615 -2.894 4.824
4 HB3 LEU 1 1HB LEU 1 10.080 -1.392 4.073
5 HG LEU 1 HG LEU 1 7.286 -2.529 3.764
6 HD11 LEU 1 1HD1 LEU 1 6.627 -1.068 5.616
7 HD12 LEU 1 2HD1 LEU 1 8.319 -0.651 5.889
8 HD13 LEU 1 3HD1 LEU 1 7.765 -2.306 6.145
9 HD21 LEU 1 3HD2 LEU 1 6.685 -0.192 3.352
10 HD22 LEU 1 1HD2 LEU 1 7.925 -0.718 2.212
11 HD23 LEU 1 2HD2 LEU 1 8.364 0.296 3.588
12 H VAL 2 H VAL 2 8.072 -2.563 0.888
13 HA VAL 2 HA VAL 2 9.474 -0.395 -0.332
14 HB VAL 2 HB VAL 2 10.370 -2.478 -1.451
15 HG11 VAL 2 1HG1 VAL 2 8.939 -3.789 -2.944
16 HG12 VAL 2 2HG1 VAL 2 7.531 -2.930 -2.322
17 HG13 VAL 2 3HG1 VAL 2 8.487 -3.947 -1.245
18 HG21 VAL 2 3HG2 VAL 2 9.989 -1.761 -3.784
19 HG22 VAL 2 1HG2 VAL 2 10.342 -0.404 -2.713
20 HG23 VAL 2 2HG2 VAL 2 8.685 -0.710 -3.230
21 H ARG 3 H ARG 3 7.912 0.710 -1.821
22 HA ARG 3 HA ARG 3 5.180 0.126 -0.949
23 HB2 ARG 3 2HB ARG 3 6.239 2.399 -0.434
24 HB3 ARG 3 1HB ARG 3 6.203 2.714 -2.159
25 HG2 ARG 3 2HG ARG 3 4.327 3.794 -1.001
26 HG3 ARG 3 1HG ARG 3 3.758 2.583 -2.151
27 HD2 ARG 3 2HD ARG 3 3.378 0.999 -0.360
28 HD3 ARG 3 1HD ARG 3 4.094 2.097 0.816
29 HE ARG 3 HE ARG 3 2.126 3.595 -0.014
30 HH11 ARG 3 1HH1 ARG 3 2.004 0.116 0.600
31 HH12 ARG 3 2HH1 ARG 3 0.370 0.110 1.102
32 HH21 ARG 3 1HH2 ARG 3 -0.180 3.584 0.719
33 HH22 ARG 3 2HH2 ARG 3 -0.927 2.130 1.059
34 H GLY 4 H GLY 4 6.713 -1.172 -3.084
35 HA2 GLY 4 2HA GLY 4 5.165 -0.437 -5.456
36 HA3 GLY 4 1HA GLY 4 6.531 -1.560 -5.417
37 H CYS 5 H CYS 5 3.202 -1.121 -4.449
38 HA CYS 5 HA CYS 5 2.700 -3.978 -4.624
39 HB2 CYS 5 2HB CYS 5 1.455 -3.752 -2.489
40 HB3 CYS 5 1HB CYS 5 3.211 -3.884 -2.311
41 H TRP 6 H TRP 6 0.387 -4.337 -4.044
42 HA TRP 6 HA TRP 6 -1.288 -2.286 -5.047
43 HB2 TRP 6 2HB TRP 6 -1.213 -3.021 -7.179
44 HB3 TRP 6 1HB TRP 6 -0.165 -4.328 -6.704
45 HD1 TRP 6 HD TRP 6 -1.193 -6.675 -6.538
46 HE1 TRP 6 1HE TRP 6 -3.451 -7.683 -7.513
47 HE3 TRP 6 3HE TRP 6 -3.607 -2.369 -7.515
48 HZ2 TRP 6 2HZ TRP 6 -5.881 -6.675 -8.522
49 HZ3 TRP 6 3HZ TRP 6 -5.820 -2.376 -8.447
50 HH2 TRP 6 HH TRP 6 -6.977 -4.512 -8.976
51 H THR 7 H THR 7 -3.178 -2.300 -4.020
52 HA THR 7 HA THR 7 -3.233 -4.049 -1.744
53 HB THR 7 HB THR 7 -4.775 -2.486 -0.735
54 HG1 THR 7 1HG THR 7 -5.058 -1.568 -3.397
55 HG21 THR 7 3HG2 THR 7 -2.824 -0.972 -2.415
56 HG22 THR 7 1HG2 THR 7 -2.422 -1.750 -0.874
57 HG23 THR 7 2HG2 THR 7 -3.568 -0.393 -0.925
58 H LYS 8 H LYS 8 -4.789 -5.402 -1.134
59 HA LYS 8 HA LYS 8 -6.810 -6.072 -3.111
60 HB2 LYS 8 2HB LYS 8 -5.931 -7.657 -0.662
61 HB3 LYS 8 1HB LYS 8 -7.059 -8.195 -1.888
62 HG2 LYS 8 2HG LYS 8 -5.101 -9.351 -2.399
63 HG3 LYS 8 1HG LYS 8 -5.065 -7.988 -3.516
64 HD2 LYS 8 2HD LYS 8 -3.562 -6.791 -1.941
65 HD3 LYS 8 1HD LYS 8 -3.551 -8.219 -0.907
66 HE2 LYS 8 2HE LYS 8 -1.562 -8.221 -2.260
67 HE3 LYS 8 1HE LYS 8 -2.622 -9.517 -2.812
68 HZ1 LYS 8 3HZ LYS 8 -2.327 -6.847 -4.066
69 HZ2 LYS 8 1HZ LYS 8 -3.372 -8.061 -4.610
70 HZ3 LYS 8 2HZ LYS 8 -1.695 -8.294 -4.672
71 H SER 9 H SER 9 -8.517 -4.881 -2.722
72 HA SER 9 HA SER 9 -9.848 -4.925 -0.206
73 HB2 SER 9 2HB SER 9 -8.873 -2.300 -1.436
74 HB3 SER 9 1HB SER 9 -9.963 -2.434 -0.058
75 HG SER 9 HG SER 9 -7.812 -3.897 0.408
76 H TYR 10 H TYR 10 -11.786 -3.019 -0.904
77 HA TYR 10 HA TYR 10 -12.373 -3.591 -3.677
78 HB2 TYR 10 2HB TYR 10 -13.706 -5.168 -2.292
79 HB3 TYR 10 1HB TYR 10 -14.367 -3.810 -1.390
80 HD1 TYR 10 2HD TYR 10 -14.181 -5.267 -4.806
81 HD2 TYR 10 1HD TYR 10 -16.325 -2.738 -2.141
82 HE1 TYR 10 2HE TYR 10 -15.998 -5.085 -6.451
83 HE2 TYR 10 1HE TYR 10 -18.149 -2.548 -3.780
84 HH TYR 10 HH TYR 10 -18.505 -2.793 -6.182
85 HA PRO 11 HA PRO 11 -12.713 -2.664 -5.261
86 HB2 PRO 11 2HB PRO 11 -11.515 -0.356 -6.503
87 HB3 PRO 11 1HB PRO 11 -12.972 -1.288 -6.935
88 HG2 PRO 11 2HG PRO 11 -13.090 1.276 -5.986
89 HG3 PRO 11 1HG PRO 11 -14.384 0.079 -5.769
90 HD2 PRO 11 2HD PRO 11 -12.253 0.897 -3.833
91 HD3 PRO 11 1HD PRO 11 -13.982 0.595 -3.548
92 HA PRO 12 HA PRO 12 -8.339 -3.445 -4.516
93 HB2 PRO 12 2HB PRO 12 -8.266 -4.412 -7.308
94 HB3 PRO 12 1HB PRO 12 -7.983 -5.330 -5.816
95 HG2 PRO 12 2HG PRO 12 -10.172 -5.705 -7.292
96 HG3 PRO 12 1HG PRO 12 -10.180 -5.844 -5.524
97 HD2 PRO 12 2HD PRO 12 -11.230 -3.606 -7.208
98 HD3 PRO 12 1HD PRO 12 -11.850 -4.249 -5.718
99 H LYS 13 H LYS 13 -6.494 -2.193 -4.886
100 HA LYS 13 HA LYS 13 -6.422 -0.490 -7.258
101 HB2 LYS 13 2HB LYS 13 -7.979 0.446 -5.411
102 HB3 LYS 13 1HB LYS 13 -6.513 0.643 -4.478
103 HG2 LYS 13 2HG LYS 13 -6.876 1.975 -7.149
104 HG3 LYS 13 1HG LYS 13 -7.531 2.663 -5.672
105 HD2 LYS 13 2HD LYS 13 -4.659 1.938 -6.021
106 HD3 LYS 13 1HD LYS 13 -5.266 3.529 -6.480
107 HE2 LYS 13 2HE LYS 13 -4.334 3.791 -4.274
108 HE3 LYS 13 1HE LYS 13 -6.078 3.782 -4.067
109 HZ1 LYS 13 3HZ LYS 13 -4.355 1.415 -3.703
110 HZ2 LYS 13 1HZ LYS 13 -5.955 1.531 -3.186
111 HZ3 LYS 13 2HZ LYS 13 -4.700 2.404 -2.432
112 HA PRO 14 HA PRO 14 -1.995 -1.250 -6.447
113 HB2 PRO 14 2HB PRO 14 -0.981 1.194 -7.355
114 HB3 PRO 14 1HB PRO 14 -1.296 -0.212 -8.386
115 HG2 PRO 14 2HG PRO 14 -3.001 2.181 -7.949
116 HG3 PRO 14 1HG PRO 14 -2.704 1.261 -9.437
117 HD2 PRO 14 2HD PRO 14 -4.982 0.958 -8.111
118 HD3 PRO 14 1HD PRO 14 -4.170 -0.441 -8.846
119 H CYS 15 H CYS 15 -0.159 -0.257 -4.956
120 HA CYS 15 HA CYS 15 -1.635 1.127 -2.931
121 HB2 CYS 15 2HB CYS 15 0.086 0.638 -1.348
122 HB3 CYS 15 1HB CYS 15 -0.453 -0.714 -2.369
123 H PHE 16 H PHE 16 -1.829 2.623 -4.142
124 HA PHE 16 HA PHE 16 0.199 4.766 -4.215
125 HB2 PHE 16 2HB PHE 16 -1.002 4.340 -6.349
126 HB3 PHE 16 1HB PHE 16 -2.530 4.682 -5.551
127 HD1 PHE 16 2HD PHE 16 0.712 6.198 -6.520
128 HD2 PHE 16 1HD PHE 16 -3.344 6.880 -5.424
129 HE1 PHE 16 2HE PHE 16 0.954 8.574 -7.110
130 HE2 PHE 16 1HE PHE 16 -3.108 9.256 -6.012
131 HZ PHE 16 HZ PHE 16 -0.957 10.106 -6.855
132 H VAL 17 H VAL 17 0.248 5.685 -2.345
133 HA VAL 17 HA VAL 17 -0.289 6.856 -0.484
134 HB VAL 17 HB VAL 17 -3.057 7.221 -1.671
135 HG11 VAL 17 1HG1 VAL 17 -1.690 8.729 0.565
136 HG12 VAL 17 2HG1 VAL 17 -3.030 7.598 0.745
137 HG13 VAL 17 3HG1 VAL 17 -3.268 9.119 -0.118
138 HG21 VAL 17 3HG2 VAL 17 -1.351 8.190 -3.124
139 HG22 VAL 17 1HG2 VAL 17 -0.673 9.078 -1.760
140 HG23 VAL 17 2HG2 VAL 17 -2.291 9.464 -2.347
141 H ARG 18 H ARG 18 -2.960 5.332 -1.142
142 HA ARG 18 HA ARG 18 -3.103 4.086 1.563
143 HB2 ARG 18 2HB ARG 18 -5.028 5.554 0.746
144 HB3 ARG 18 1HB ARG 18 -5.385 4.308 -0.422
145 HG2 ARG 18 2HG ARG 18 -5.399 3.691 2.526
146 HG3 ARG 18 1HG ARG 18 -6.768 4.490 1.779
147 HD2 ARG 18 2HD ARG 18 -7.348 2.210 1.828
148 HD3 ARG 18 1HD ARG 18 -6.838 2.491 0.173
149 HE ARG 18 HE ARG 18 -4.603 1.594 1.458
150 HH11 ARG 18 1HH1 ARG 18 -7.840 0.299 0.822
151 HH12 ARG 18 2HH1 ARG 18 -7.389 -1.337 0.898
152 HH21 ARG 18 1HH2 ARG 18 -3.970 -0.609 1.633
153 HH22 ARG 18 2HH2 ARG 18 -5.117 -1.875 1.442
Start of MODEL 9
1 H1 LEU 1 H LEU 1 6.046 2.787 1.169
2 HA LEU 1 HA LEU 1 4.997 0.344 -0.071
3 HB2 LEU 1 2HB LEU 1 6.172 1.193 -2.141
4 HB3 LEU 1 1HB LEU 1 4.747 2.086 -1.685
5 HG LEU 1 HG LEU 1 6.280 3.859 -0.723
6 HD11 LEU 1 1HD1 LEU 1 8.589 3.956 -1.501
7 HD12 LEU 1 2HD1 LEU 1 8.428 2.339 -2.188
8 HD13 LEU 1 3HD1 LEU 1 8.314 2.570 -0.444
9 HD21 LEU 1 3HD2 LEU 1 6.815 4.827 -2.903
10 HD22 LEU 1 1HD2 LEU 1 5.194 4.134 -2.864
11 HD23 LEU 1 2HD2 LEU 1 6.505 3.268 -3.666
12 H VAL 2 H VAL 2 7.065 -0.548 -1.404
13 HA VAL 2 HA VAL 2 9.573 -0.281 -0.286
14 HB VAL 2 HB VAL 2 8.680 -1.318 1.772
15 HG11 VAL 2 1HG1 VAL 2 7.941 -3.694 0.080
16 HG12 VAL 2 2HG1 VAL 2 6.833 -2.592 0.894
17 HG13 VAL 2 3HG1 VAL 2 7.889 -3.639 1.842
18 HG21 VAL 2 3HG2 VAL 2 10.266 -3.195 2.024
19 HG22 VAL 2 1HG2 VAL 2 11.001 -1.787 1.254
20 HG23 VAL 2 2HG2 VAL 2 10.529 -3.178 0.281
21 H ARG 3 H ARG 3 7.424 -2.398 -1.628
22 HA ARG 3 HA ARG 3 9.249 -3.040 -3.846
23 HB2 ARG 3 2HB ARG 3 7.397 -4.969 -2.405
24 HB3 ARG 3 1HB ARG 3 8.214 -5.324 -3.907
25 HG2 ARG 3 2HG ARG 3 9.616 -4.766 -1.285
26 HG3 ARG 3 1HG ARG 3 9.237 -6.376 -1.884
27 HD2 ARG 3 2HD ARG 3 11.531 -5.958 -2.404
28 HD3 ARG 3 1HD ARG 3 10.641 -5.834 -3.915
29 HE ARG 3 HE ARG 3 10.884 -3.294 -2.709
30 HH11 ARG 3 1HH1 ARG 3 12.881 -5.648 -4.453
31 HH12 ARG 3 2HH1 ARG 3 13.983 -4.496 -5.040
32 HH21 ARG 3 1HH2 ARG 3 12.349 -1.729 -3.479
33 HH22 ARG 3 2HH2 ARG 3 13.671 -2.149 -4.463
34 H GLY 4 H GLY 4 7.460 -4.384 -5.461
35 HA2 GLY 4 2HA GLY 4 5.649 -2.331 -6.235
36 HA3 GLY 4 1HA GLY 4 5.788 -3.938 -6.947
37 H CYS 5 H CYS 5 4.016 -1.948 -4.879
38 HA CYS 5 HA CYS 5 2.459 -4.250 -4.005
39 HB2 CYS 5 2HB CYS 5 1.670 -2.524 -2.169
40 HB3 CYS 5 1HB CYS 5 3.133 -3.474 -1.952
41 H TRP 6 H TRP 6 0.348 -4.243 -3.816
42 HA TRP 6 HA TRP 6 -1.200 -2.169 -4.966
43 HB2 TRP 6 2HB TRP 6 -1.208 -3.035 -7.056
44 HB3 TRP 6 1HB TRP 6 -0.241 -4.389 -6.531
45 HD1 TRP 6 HD TRP 6 -1.473 -6.660 -6.151
46 HE1 TRP 6 1HE TRP 6 -3.813 -7.544 -7.031
47 HE3 TRP 6 3HE TRP 6 -3.558 -2.255 -7.469
48 HZ2 TRP 6 2HZ TRP 6 -6.156 -6.442 -8.104
49 HZ3 TRP 6 3HZ TRP 6 -5.782 -2.174 -8.377
50 HH2 TRP 6 HH TRP 6 -7.094 -4.247 -8.720
51 H THR 7 H THR 7 -3.246 -2.137 -3.938
52 HA THR 7 HA THR 7 -3.238 -3.835 -1.624
53 HB THR 7 HB THR 7 -4.774 -2.233 -0.625
54 HG1 THR 7 1HG THR 7 -6.153 -1.370 -1.984
55 HG21 THR 7 3HG2 THR 7 -2.713 -0.746 -2.251
56 HG22 THR 7 1HG2 THR 7 -2.401 -1.534 -0.703
57 HG23 THR 7 2HG2 THR 7 -3.492 -0.147 -0.797
58 H LYS 8 H LYS 8 -4.830 -5.188 -1.023
59 HA LYS 8 HA LYS 8 -6.697 -5.953 -3.126
60 HB2 LYS 8 2HB LYS 8 -5.961 -7.499 -0.610
61 HB3 LYS 8 1HB LYS 8 -6.950 -8.081 -1.931
62 HG2 LYS 8 2HG LYS 8 -4.910 -9.154 -2.263
63 HG3 LYS 8 1HG LYS 8 -4.823 -7.788 -3.373
64 HD2 LYS 8 2HD LYS 8 -3.511 -6.538 -1.690
65 HD3 LYS 8 1HD LYS 8 -3.567 -7.941 -0.623
66 HE2 LYS 8 2HE LYS 8 -1.447 -7.901 -1.770
67 HE3 LYS 8 1HE LYS 8 -2.400 -9.253 -2.379
68 HZ1 LYS 8 3HZ LYS 8 -3.013 -7.874 -4.293
69 HZ2 LYS 8 1HZ LYS 8 -1.327 -8.046 -4.179
70 HZ3 LYS 8 2HZ LYS 8 -2.078 -6.614 -3.683
71 H SER 9 H SER 9 -8.502 -4.832 -2.876
72 HA SER 9 HA SER 9 -9.899 -4.890 -0.358
73 HB2 SER 9 2HB SER 9 -9.217 -2.289 -1.790
74 HB3 SER 9 1HB SER 9 -10.188 -2.449 -0.326
75 HG SER 9 HG SER 9 -7.975 -3.673 0.202
76 H TYR 10 H TYR 10 -12.114 -3.363 -1.059
77 HA TYR 10 HA TYR 10 -12.693 -4.017 -3.780
78 HB2 TYR 10 2HB TYR 10 -14.310 -4.390 -1.274
79 HB3 TYR 10 1HB TYR 10 -15.019 -4.328 -2.872
80 HD1 TYR 10 2HD TYR 10 -14.367 -6.157 -4.531
81 HD2 TYR 10 1HD TYR 10 -13.319 -6.355 -0.412
82 HE1 TYR 10 2HE TYR 10 -13.932 -8.566 -4.763
83 HE2 TYR 10 1HE TYR 10 -12.878 -8.763 -0.633
84 HH TYR 10 HH TYR 10 -12.620 -10.311 -3.635
85 HA PRO 11 HA PRO 11 -12.692 -2.966 -5.300
86 HB2 PRO 11 2HB PRO 11 -11.742 -0.498 -6.392
87 HB3 PRO 11 1HB PRO 11 -13.031 -1.600 -6.942
88 HG2 PRO 11 2HG PRO 11 -13.538 0.926 -5.971
89 HG3 PRO 11 1HG PRO 11 -14.694 -0.420 -5.897
90 HD2 PRO 11 2HD PRO 11 -12.845 0.573 -3.761
91 HD3 PRO 11 1HD PRO 11 -14.548 0.072 -3.636
92 HA PRO 12 HA PRO 12 -8.410 -2.961 -4.161
93 HB2 PRO 12 2HB PRO 12 -7.452 -4.378 -6.286
94 HB3 PRO 12 1HB PRO 12 -8.393 -5.139 -4.989
95 HG2 PRO 12 2HG PRO 12 -9.230 -4.436 -7.727
96 HG3 PRO 12 1HG PRO 12 -9.785 -5.746 -6.669
97 HD2 PRO 12 2HD PRO 12 -11.177 -3.343 -7.100
98 HD3 PRO 12 1HD PRO 12 -11.489 -4.435 -5.808
99 H LYS 13 H LYS 13 -6.397 -1.903 -4.743
100 HA LYS 13 HA LYS 13 -6.424 -0.285 -7.147
101 HB2 LYS 13 2HB LYS 13 -7.851 0.812 -5.313
102 HB3 LYS 13 1HB LYS 13 -6.374 0.881 -4.376
103 HG2 LYS 13 2HG LYS 13 -6.611 2.265 -7.045
104 HG3 LYS 13 1HG LYS 13 -7.214 2.994 -5.563
105 HD2 LYS 13 2HD LYS 13 -4.405 2.032 -5.934
106 HD3 LYS 13 1HD LYS 13 -4.894 3.701 -6.255
107 HE2 LYS 13 2HE LYS 13 -5.586 3.959 -3.920
108 HE3 LYS 13 1HE LYS 13 -5.171 2.279 -3.587
109 HZ1 LYS 13 3HZ LYS 13 -3.225 4.356 -4.452
110 HZ2 LYS 13 1HZ LYS 13 -2.908 2.741 -4.100
111 HZ3 LYS 13 2HZ LYS 13 -3.411 3.772 -2.865
112 HA PRO 14 HA PRO 14 -2.041 -1.180 -6.551
113 HB2 PRO 14 2HB PRO 14 -0.904 1.181 -7.458
114 HB3 PRO 14 1HB PRO 14 -1.381 -0.170 -8.494
115 HG2 PRO 14 2HG PRO 14 -2.886 2.330 -7.930
116 HG3 PRO 14 1HG PRO 14 -2.724 1.425 -9.449
117 HD2 PRO 14 2HD PRO 14 -4.952 1.238 -8.013
118 HD3 PRO 14 1HD PRO 14 -4.269 -0.189 -8.820
119 H CYS 15 H CYS 15 0.053 0.008 -5.579
120 HA CYS 15 HA CYS 15 -0.587 0.454 -2.899
121 HB2 CYS 15 2HB CYS 15 1.360 -0.697 -3.924
122 HB3 CYS 15 1HB CYS 15 2.081 0.822 -4.322
123 H PHE 16 H PHE 16 1.004 2.263 -2.016
124 HA PHE 16 HA PHE 16 -0.089 4.812 -2.999
125 HB2 PHE 16 2HB PHE 16 0.976 4.116 -0.249
126 HB3 PHE 16 1HB PHE 16 0.382 5.702 -0.728
127 HD1 PHE 16 1HD PHE 16 -2.015 6.024 -1.224
128 HD2 PHE 16 2HD PHE 16 -0.520 2.345 0.309
129 HE1 PHE 16 1HE PHE 16 -4.299 5.363 -0.593
130 HE2 PHE 16 2HE PHE 16 -2.802 1.677 0.941
131 HZ PHE 16 HZ PHE 16 -4.695 3.187 0.490
132 H VAL 17 H VAL 17 1.464 6.713 -2.375
133 HA VAL 17 HA VAL 17 4.048 6.050 -3.555
134 HB VAL 17 HB VAL 17 2.579 7.859 -4.531
135 HG11 VAL 17 1HG1 VAL 17 1.637 8.811 -2.561
136 HG12 VAL 17 2HG1 VAL 17 2.487 10.065 -3.464
137 HG13 VAL 17 3HG1 VAL 17 3.220 9.366 -2.020
138 HG21 VAL 17 3HG2 VAL 17 4.940 7.866 -5.083
139 HG22 VAL 17 1HG2 VAL 17 5.311 8.769 -3.612
140 HG23 VAL 17 2HG2 VAL 17 4.375 9.526 -4.900
141 H ARG 18 H ARG 18 3.124 5.622 -0.808
142 HA ARG 18 HA ARG 18 5.301 6.871 0.649
143 HB2 ARG 18 2HB ARG 18 2.449 6.491 1.610
144 HB3 ARG 18 1HB ARG 18 3.794 6.820 2.684
145 HG2 ARG 18 2HG ARG 18 2.872 8.668 0.479
146 HG3 ARG 18 1HG ARG 18 2.397 8.812 2.169
147 HD2 ARG 18 2HD ARG 18 4.195 10.373 1.720
148 HD3 ARG 18 1HD ARG 18 4.802 9.095 2.768
149 HE ARG 18 HE ARG 18 5.233 8.599 -0.017
150 HH11 ARG 18 1HH1 ARG 18 6.621 10.228 2.785
151 HH12 ARG 18 2HH1 ARG 18 8.227 10.160 2.220
152 HH21 ARG 18 1HH2 ARG 18 7.333 8.472 -0.799
153 HH22 ARG 18 2HH2 ARG 18 8.668 9.099 0.058
Start of MODEL 10
1 H1 LEU 1 H LEU 1 6.241 5.748 -8.322
2 HA LEU 1 HA LEU 1 6.334 3.746 -9.740
3 HB2 LEU 1 2HB LEU 1 7.487 5.876 -10.405
4 HB3 LEU 1 1HB LEU 1 8.948 5.281 -9.649
5 HG LEU 1 HG LEU 1 8.993 3.418 -11.306
6 HD11 LEU 1 1HD1 LEU 1 6.717 4.917 -12.580
7 HD12 LEU 1 2HD1 LEU 1 6.639 3.309 -11.857
8 HD13 LEU 1 3HD1 LEU 1 7.605 3.578 -13.305
9 HD21 LEU 1 3HD2 LEU 1 10.320 5.433 -11.657
10 HD22 LEU 1 1HD2 LEU 1 8.953 6.205 -12.461
11 HD23 LEU 1 2HD2 LEU 1 9.727 4.799 -13.192
12 H VAL 2 H VAL 2 7.610 1.815 -10.346
13 HA VAL 2 HA VAL 2 8.695 -0.067 -9.966
14 HB VAL 2 HB VAL 2 10.386 1.466 -7.941
15 HG11 VAL 2 1HG1 VAL 2 10.974 -1.026 -9.499
16 HG12 VAL 2 2HG1 VAL 2 10.625 -0.946 -7.773
17 HG13 VAL 2 3HG1 VAL 2 12.111 -0.218 -8.411
18 HG21 VAL 2 3HG2 VAL 2 10.489 2.607 -10.077
19 HG22 VAL 2 1HG2 VAL 2 10.852 1.088 -10.902
20 HG23 VAL 2 2HG2 VAL 2 12.015 1.779 -9.773
21 H ARG 3 H ARG 3 8.773 -1.931 -8.446
22 HA ARG 3 HA ARG 3 8.040 -3.244 -6.887
23 HB2 ARG 3 2HB ARG 3 7.381 -0.777 -5.253
24 HB3 ARG 3 1HB ARG 3 7.421 -2.481 -4.780
25 HG2 ARG 3 2HG ARG 3 9.654 -2.539 -4.549
26 HG3 ARG 3 1HG ARG 3 9.921 -1.458 -5.919
27 HD2 ARG 3 2HD ARG 3 8.935 -0.591 -3.200
28 HD3 ARG 3 1HD ARG 3 10.603 -0.446 -3.766
29 HE ARG 3 HE ARG 3 8.781 0.746 -5.588
30 HH11 ARG 3 1HH1 ARG 3 10.278 1.418 -2.451
31 HH12 ARG 3 2HH1 ARG 3 10.286 3.113 -2.685
32 HH21 ARG 3 1HH2 ARG 3 8.878 3.040 -5.914
33 HH22 ARG 3 2HH2 ARG 3 9.437 4.071 -4.710
34 H GLY 4 H GLY 4 6.362 -4.284 -7.672
35 HA2 GLY 4 2HA GLY 4 3.903 -2.967 -8.327
36 HA3 GLY 4 1HA GLY 4 4.249 -4.689 -8.463
37 H CYS 5 H CYS 5 3.206 -2.157 -6.361
38 HA CYS 5 HA CYS 5 2.299 -4.136 -4.367
39 HB2 CYS 5 2HB CYS 5 3.925 -2.411 -3.671
40 HB3 CYS 5 1HB CYS 5 2.792 -1.189 -4.039
41 H TRP 6 H TRP 6 0.241 -4.592 -4.450
42 HA TRP 6 HA TRP 6 -1.534 -2.550 -5.387
43 HB2 TRP 6 2HB TRP 6 -1.008 -5.089 -5.996
44 HB3 TRP 6 1HB TRP 6 -2.753 -5.147 -5.608
45 HD1 TRP 6 HD TRP 6 -0.212 -4.896 -8.256
46 HE1 TRP 6 1HE TRP 6 -1.151 -3.928 -10.445
47 HE3 TRP 6 3HE TRP 6 -4.631 -3.049 -6.494
48 HZ2 TRP 6 2HZ TRP 6 -3.457 -2.544 -11.312
49 HZ3 TRP 6 3HZ TRP 6 -6.122 -1.879 -8.038
50 HH2 TRP 6 HH TRP 6 -5.568 -1.654 -10.415
51 H THR 7 H THR 7 -3.426 -2.275 -3.904
52 HA THR 7 HA THR 7 -3.094 -3.796 -1.450
53 HB THR 7 HB THR 7 -4.147 -2.110 -0.142
54 HG1 THR 7 1HG THR 7 -6.088 -1.799 -1.332
55 HG21 THR 7 3HG2 THR 7 -2.043 -1.272 -1.159
56 HG22 THR 7 1HG2 THR 7 -3.187 0.035 -0.768
57 HG23 THR 7 2HG2 THR 7 -3.050 -0.534 -2.419
58 H LYS 8 H LYS 8 -4.295 -5.345 -1.027
59 HA LYS 8 HA LYS 8 -6.479 -6.116 -2.655
60 HB2 LYS 8 2HB LYS 8 -6.887 -7.884 -0.902
61 HB3 LYS 8 1HB LYS 8 -5.268 -7.894 -1.574
62 HG2 LYS 8 2HG LYS 8 -4.396 -6.810 0.421
63 HG3 LYS 8 1HG LYS 8 -6.024 -6.663 1.078
64 HD2 LYS 8 2HD LYS 8 -4.636 -9.280 0.462
65 HD3 LYS 8 1HD LYS 8 -4.723 -8.542 2.060
66 HE2 LYS 8 2HE LYS 8 -7.192 -8.671 1.955
67 HE3 LYS 8 1HE LYS 8 -7.067 -9.469 0.389
68 HZ1 LYS 8 3HZ LYS 8 -5.990 -10.507 2.948
69 HZ2 LYS 8 1HZ LYS 8 -5.865 -11.278 1.446
70 HZ3 LYS 8 2HZ LYS 8 -7.381 -11.060 2.164
71 H SER 9 H SER 9 -8.222 -4.949 -2.724
72 HA SER 9 HA SER 9 -9.687 -4.292 -0.333
73 HB2 SER 9 2HB SER 9 -8.806 -2.178 -2.340
74 HB3 SER 9 1HB SER 9 -9.762 -1.913 -0.881
75 HG SER 9 HG SER 9 -7.692 -3.094 -0.008
76 H TYR 10 H TYR 10 -11.743 -2.989 -1.366
77 HA TYR 10 HA TYR 10 -12.275 -3.969 -4.025
78 HB2 TYR 10 2HB TYR 10 -13.275 -5.639 -2.460
79 HB3 TYR 10 1HB TYR 10 -14.179 -4.347 -1.681
80 HD1 TYR 10 2HD TYR 10 -13.778 -6.212 -4.855
81 HD2 TYR 10 1HD TYR 10 -16.252 -3.600 -2.584
82 HE1 TYR 10 2HE TYR 10 -15.600 -6.537 -6.474
83 HE2 TYR 10 1HE TYR 10 -18.079 -3.917 -4.198
84 HH TYR 10 HH TYR 10 -18.064 -6.357 -6.541
85 HA PRO 11 HA PRO 11 -12.673 -3.178 -5.683
86 HB2 PRO 11 2HB PRO 11 -11.759 -0.748 -6.943
87 HB3 PRO 11 1HB PRO 11 -12.998 -1.923 -7.447
88 HG2 PRO 11 2HG PRO 11 -13.632 0.607 -6.633
89 HG3 PRO 11 1HG PRO 11 -14.715 -0.789 -6.452
90 HD2 PRO 11 2HD PRO 11 -12.932 0.474 -4.409
91 HD3 PRO 11 1HD PRO 11 -14.591 -0.141 -4.237
92 HA PRO 12 HA PRO 12 -8.331 -3.459 -4.648
93 HB2 PRO 12 2HB PRO 12 -7.980 -4.031 -7.550
94 HB3 PRO 12 1HB PRO 12 -7.510 -5.022 -6.153
95 HG2 PRO 12 2HG PRO 12 -9.577 -5.717 -7.645
96 HG3 PRO 12 1HG PRO 12 -9.596 -5.925 -5.882
97 HD2 PRO 12 2HD PRO 12 -11.010 -3.849 -7.511
98 HD3 PRO 12 1HD PRO 12 -11.530 -4.641 -6.058
99 H LYS 13 H LYS 13 -6.672 -1.978 -4.613
100 HA LYS 13 HA LYS 13 -6.445 -0.024 -6.758
101 HB2 LYS 13 2HB LYS 13 -8.243 0.747 -5.143
102 HB3 LYS 13 1HB LYS 13 -7.047 0.644 -3.864
103 HG2 LYS 13 2HG LYS 13 -6.855 2.518 -6.219
104 HG3 LYS 13 1HG LYS 13 -7.584 2.945 -4.677
105 HD2 LYS 13 2HD LYS 13 -4.783 1.968 -5.005
106 HD3 LYS 13 1HD LYS 13 -5.185 3.686 -5.036
107 HE2 LYS 13 2HE LYS 13 -4.375 3.145 -2.811
108 HE3 LYS 13 1HE LYS 13 -6.102 3.430 -2.697
109 HZ1 LYS 13 3HZ LYS 13 -5.184 1.465 -1.423
110 HZ2 LYS 13 1HZ LYS 13 -4.936 0.682 -2.873
111 HZ3 LYS 13 2HZ LYS 13 -6.490 1.091 -2.385
112 HA PRO 14 HA PRO 14 -2.662 -1.292 -5.067
113 HB2 PRO 14 2HB PRO 14 -0.870 -0.717 -6.806
114 HB3 PRO 14 1HB PRO 14 -2.331 -1.455 -7.319
115 HG2 PRO 14 2HG PRO 14 -2.012 1.514 -7.435
116 HG3 PRO 14 1HG PRO 14 -2.395 0.394 -8.768
117 HD2 PRO 14 2HD PRO 14 -4.428 1.579 -7.307
118 HD3 PRO 14 1HD PRO 14 -4.533 -0.028 -8.024
119 H CYS 15 H CYS 15 -0.201 -0.355 -4.721
120 HA CYS 15 HA CYS 15 -0.575 1.451 -2.564
121 HB2 CYS 15 2HB CYS 15 1.498 -0.041 -3.848
122 HB3 CYS 15 1HB CYS 15 1.931 0.654 -2.337
123 H PHE 16 H PHE 16 -0.104 3.423 -2.715
124 HA PHE 16 HA PHE 16 1.253 4.544 -5.045
125 HB2 PHE 16 2HB PHE 16 -0.005 5.972 -2.684
126 HB3 PHE 16 1HB PHE 16 0.746 6.780 -4.051
127 HD1 PHE 16 1HD PHE 16 -0.243 6.235 -6.384
128 HD2 PHE 16 2HD PHE 16 -2.267 5.518 -2.711
129 HE1 PHE 16 1HE PHE 16 -2.394 6.231 -7.577
130 HE2 PHE 16 2HE PHE 16 -4.418 5.510 -3.894
131 HZ PHE 16 HZ PHE 16 -4.486 5.866 -6.331
132 H VAL 17 H VAL 17 3.341 4.052 -4.878
133 HA VAL 17 HA VAL 17 4.718 5.069 -2.537
134 HB VAL 17 HB VAL 17 4.631 2.592 -2.474
135 HG11 VAL 17 1HG1 VAL 17 6.147 2.663 -5.069
136 HG12 VAL 17 2HG1 VAL 17 4.512 2.056 -4.812
137 HG13 VAL 17 3HG1 VAL 17 5.886 1.228 -4.078
138 HG21 VAL 17 3HG2 VAL 17 7.036 2.173 -2.150
139 HG22 VAL 17 1HG2 VAL 17 6.520 3.702 -1.434
140 HG23 VAL 17 2HG2 VAL 17 7.396 3.695 -2.965
141 H ARG 18 H ARG 18 6.445 6.223 -2.914
142 HA ARG 18 HA ARG 18 6.819 7.388 -5.482
143 HB2 ARG 18 2HB ARG 18 7.081 8.638 -3.326
144 HB3 ARG 18 1HB ARG 18 8.521 7.694 -2.989
145 HG2 ARG 18 2HG ARG 18 8.759 8.926 -5.576
146 HG3 ARG 18 1HG ARG 18 8.342 10.140 -4.370
147 HD2 ARG 18 2HD ARG 18 10.760 9.956 -4.575
148 HD3 ARG 18 1HD ARG 18 10.248 9.391 -2.987
149 HE ARG 18 HE ARG 18 10.302 7.116 -4.366
150 HH11 ARG 18 1HH1 ARG 18 12.734 9.656 -4.048
151 HH12 ARG 18 2HH1 ARG 18 14.065 8.639 -4.363
152 HH21 ARG 18 1HH2 ARG 18 12.020 5.747 -4.810
153 HH22 ARG 18 2HH2 ARG 18 13.645 6.274 -4.828
Start of MODEL 11
1 H1 LEU 1 H LEU 1 7.725 5.966 -7.205
2 HA LEU 1 HA LEU 1 9.601 5.472 -8.700
3 HB2 LEU 1 2HB LEU 1 10.407 3.707 -6.360
4 HB3 LEU 1 1HB LEU 1 11.038 3.518 -7.974
5 HG LEU 1 HG LEU 1 12.016 5.855 -7.736
6 HD11 LEU 1 1HD1 LEU 1 12.426 6.655 -5.452
7 HD12 LEU 1 2HD1 LEU 1 11.294 5.449 -4.839
8 HD13 LEU 1 3HD1 LEU 1 10.731 6.735 -5.906
9 HD21 LEU 1 3HD2 LEU 1 13.930 5.071 -6.429
10 HD22 LEU 1 1HD2 LEU 1 13.375 3.858 -7.581
11 HD23 LEU 1 2HD2 LEU 1 12.978 3.695 -5.871
12 H VAL 2 H VAL 2 9.826 2.903 -9.462
13 HA VAL 2 HA VAL 2 7.095 2.053 -9.687
14 HB VAL 2 HB VAL 2 9.643 0.657 -10.602
15 HG11 VAL 2 1HG1 VAL 2 8.182 -0.556 -12.160
16 HG12 VAL 2 2HG1 VAL 2 6.779 0.251 -11.463
17 HG13 VAL 2 3HG1 VAL 2 7.737 -0.855 -10.479
18 HG21 VAL 2 3HG2 VAL 2 9.177 1.596 -12.827
19 HG22 VAL 2 1HG2 VAL 2 9.466 2.861 -11.632
20 HG23 VAL 2 2HG2 VAL 2 7.820 2.499 -12.155
21 H ARG 3 H ARG 3 6.179 0.959 -8.059
22 HA ARG 3 HA ARG 3 7.883 -0.846 -6.505
23 HB2 ARG 3 2HB ARG 3 7.390 1.368 -5.382
24 HB3 ARG 3 1HB ARG 3 5.700 0.897 -5.377
25 HG2 ARG 3 2HG ARG 3 6.289 -1.081 -4.023
26 HG3 ARG 3 1HG ARG 3 7.960 -0.518 -3.979
27 HD2 ARG 3 2HD ARG 3 5.527 0.815 -2.808
28 HD3 ARG 3 1HD ARG 3 6.933 0.187 -1.950
29 HE ARG 3 HE ARG 3 7.151 2.437 -3.824
30 HH11 ARG 3 1HH1 ARG 3 7.708 1.150 -0.594
31 HH12 ARG 3 2HH1 ARG 3 8.474 2.553 0.000
32 HH21 ARG 3 1HH2 ARG 3 8.106 4.312 -3.087
33 HH22 ARG 3 2HH2 ARG 3 8.733 4.471 -1.497
34 H GLY 4 H GLY 4 7.023 -2.824 -6.352
35 HA2 GLY 4 2HA GLY 4 4.440 -3.376 -7.475
36 HA3 GLY 4 1HA GLY 4 5.542 -4.546 -6.749
37 H CYS 5 H CYS 5 3.201 -2.048 -6.040
38 HA CYS 5 HA CYS 5 2.573 -3.399 -3.500
39 HB2 CYS 5 2HB CYS 5 3.889 -1.299 -3.087
40 HB3 CYS 5 1HB CYS 5 2.674 -0.437 -3.987
41 H TRP 6 H TRP 6 0.557 -3.971 -3.473
42 HA TRP 6 HA TRP 6 -1.370 -2.259 -4.618
43 HB2 TRP 6 2HB TRP 6 -1.543 -3.335 -6.617
44 HB3 TRP 6 1HB TRP 6 -0.229 -4.369 -6.129
45 HD1 TRP 6 HD TRP 6 -0.867 -6.752 -5.137
46 HE1 TRP 6 1HE TRP 6 -2.967 -8.227 -5.548
47 HE3 TRP 6 3HE TRP 6 -3.932 -3.180 -6.954
48 HZ2 TRP 6 2HZ TRP 6 -5.615 -7.845 -6.544
49 HZ3 TRP 6 3HZ TRP 6 -6.177 -3.713 -7.609
50 HH2 TRP 6 HH TRP 6 -7.041 -6.046 -7.427
51 H THR 7 H THR 7 -3.241 -2.351 -3.552
52 HA THR 7 HA THR 7 -3.287 -4.287 -1.429
53 HB THR 7 HB THR 7 -3.400 -2.172 -0.426
54 HG1 THR 7 1HG THR 7 -6.167 -2.704 -0.533
55 HG21 THR 7 3HG2 THR 7 -5.043 -0.399 -1.043
56 HG22 THR 7 1HG2 THR 7 -5.494 -1.376 -2.441
57 HG23 THR 7 2HG2 THR 7 -3.852 -0.714 -2.292
58 H LYS 8 H LYS 8 -4.635 -5.813 -1.366
59 HA LYS 8 HA LYS 8 -6.642 -6.030 -3.458
60 HB2 LYS 8 2HB LYS 8 -5.220 -8.008 -3.005
61 HB3 LYS 8 1HB LYS 8 -5.780 -8.029 -1.340
62 HG2 LYS 8 2HG LYS 8 -8.079 -8.449 -2.156
63 HG3 LYS 8 1HG LYS 8 -7.450 -8.526 -3.802
64 HD2 LYS 8 2HD LYS 8 -6.048 -10.427 -3.191
65 HD3 LYS 8 1HD LYS 8 -6.617 -10.327 -1.523
66 HE2 LYS 8 2HE LYS 8 -8.912 -10.767 -2.300
67 HE3 LYS 8 1HE LYS 8 -8.313 -10.910 -3.952
68 HZ1 LYS 8 3HZ LYS 8 -7.547 -12.653 -1.673
69 HZ2 LYS 8 1HZ LYS 8 -6.966 -12.800 -3.257
70 HZ3 LYS 8 2HZ LYS 8 -8.603 -13.074 -2.923
71 H SER 9 H SER 9 -8.355 -4.904 -2.965
72 HA SER 9 HA SER 9 -9.863 -5.419 -0.598
73 HB2 SER 9 2HB SER 9 -9.860 -2.880 -0.113
74 HB3 SER 9 1HB SER 9 -8.414 -3.775 0.353
75 HG SER 9 HG SER 9 -8.748 -2.144 -1.979
76 H TYR 10 H TYR 10 -11.613 -3.259 -0.901
77 HA TYR 10 HA TYR 10 -12.238 -3.202 -3.740
78 HB2 TYR 10 2HB TYR 10 -13.773 -4.818 -2.588
79 HB3 TYR 10 1HB TYR 10 -14.259 -3.536 -1.485
80 HD1 TYR 10 2HD TYR 10 -14.336 -4.622 -5.021
81 HD2 TYR 10 1HD TYR 10 -15.921 -1.945 -2.119
82 HE1 TYR 10 2HE TYR 10 -16.079 -3.937 -6.613
83 HE2 TYR 10 1HE TYR 10 -17.667 -1.252 -3.705
84 HH TYR 10 HH TYR 10 -18.345 -2.937 -6.556
85 HA PRO 11 HA PRO 11 -12.692 -1.937 -5.130
86 HB2 PRO 11 2HB PRO 11 -11.118 0.321 -6.018
87 HB3 PRO 11 1HB PRO 11 -12.731 -0.237 -6.523
88 HG2 PRO 11 2HG PRO 11 -12.367 2.061 -5.102
89 HG3 PRO 11 1HG PRO 11 -13.839 1.071 -5.017
90 HD2 PRO 11 2HD PRO 11 -11.531 1.156 -3.118
91 HD3 PRO 11 1HD PRO 11 -13.274 1.062 -2.777
92 HA PRO 12 HA PRO 12 -8.525 -3.647 -4.959
93 HB2 PRO 12 2HB PRO 12 -8.838 -4.151 -7.854
94 HB3 PRO 12 1HB PRO 12 -8.690 -5.324 -6.529
95 HG2 PRO 12 2HG PRO 12 -10.981 -4.992 -7.855
96 HG3 PRO 12 1HG PRO 12 -10.915 -5.420 -6.134
97 HD2 PRO 12 2HD PRO 12 -11.533 -2.762 -7.357
98 HD3 PRO 12 1HD PRO 12 -12.208 -3.520 -5.942
99 H LYS 13 H LYS 13 -6.673 -2.422 -5.042
100 HA LYS 13 HA LYS 13 -6.279 -0.673 -7.318
101 HB2 LYS 13 2HB LYS 13 -7.738 0.614 -5.954
102 HB3 LYS 13 1HB LYS 13 -6.809 0.225 -4.520
103 HG2 LYS 13 2HG LYS 13 -6.498 2.543 -5.232
104 HG3 LYS 13 1HG LYS 13 -4.992 1.630 -5.294
105 HD2 LYS 13 2HD LYS 13 -5.327 1.293 -7.682
106 HD3 LYS 13 1HD LYS 13 -6.778 2.300 -7.624
107 HE2 LYS 13 2HE LYS 13 -5.463 4.197 -6.825
108 HE3 LYS 13 1HE LYS 13 -4.006 3.205 -6.833
109 HZ1 LYS 13 3HZ LYS 13 -5.624 3.901 -9.215
110 HZ2 LYS 13 1HZ LYS 13 -4.197 2.984 -9.206
111 HZ3 LYS 13 2HZ LYS 13 -4.152 4.620 -8.773
112 HA PRO 14 HA PRO 14 -1.857 -1.519 -6.189
113 HB2 PRO 14 2HB PRO 14 -1.031 0.738 -7.689
114 HB3 PRO 14 1HB PRO 14 -1.018 -0.934 -8.264
115 HG2 PRO 14 2HG PRO 14 -3.050 1.166 -8.748
116 HG3 PRO 14 1HG PRO 14 -2.510 -0.154 -9.805
117 HD2 PRO 14 2HD PRO 14 -4.856 -0.329 -8.618
118 HD3 PRO 14 1HD PRO 14 -3.800 -1.740 -8.723
119 H CYS 15 H CYS 15 -0.452 -0.236 -4.531
120 HA CYS 15 HA CYS 15 -2.372 1.322 -3.131
121 HB2 CYS 15 2HB CYS 15 -0.996 1.141 -1.231
122 HB3 CYS 15 1HB CYS 15 -0.845 -0.405 -2.053
123 H PHE 16 H PHE 16 -1.280 3.087 -1.872
124 HA PHE 16 HA PHE 16 -0.741 5.158 -3.864
125 HB2 PHE 16 2HB PHE 16 -2.520 5.495 -2.166
126 HB3 PHE 16 1HB PHE 16 -1.308 5.449 -0.898
127 HD1 PHE 16 2HD PHE 16 -2.296 7.336 -3.946
128 HD2 PHE 16 1HD PHE 16 -0.312 7.436 -0.181
129 HE1 PHE 16 2HE PHE 16 -2.020 9.772 -4.160
130 HE2 PHE 16 1HE PHE 16 -0.032 9.871 -0.388
131 HZ PHE 16 HZ PHE 16 -0.886 11.042 -2.380
132 H VAL 17 H VAL 17 1.166 3.195 -2.018
133 HA VAL 17 HA VAL 17 3.236 5.216 -1.600
134 HB VAL 17 HB VAL 17 3.157 2.360 -0.564
135 HG11 VAL 17 1HG1 VAL 17 5.417 3.231 -0.770
136 HG12 VAL 17 2HG1 VAL 17 4.969 3.075 0.929
137 HG13 VAL 17 3HG1 VAL 17 4.968 4.662 0.159
138 HG21 VAL 17 3HG2 VAL 17 2.516 4.926 0.895
139 HG22 VAL 17 1HG2 VAL 17 2.626 3.328 1.634
140 HG23 VAL 17 2HG2 VAL 17 1.363 3.669 0.449
141 H ARG 18 H ARG 18 4.236 5.431 -3.516
142 HA ARG 18 HA ARG 18 5.560 3.128 -4.538
143 HB2 ARG 18 2HB ARG 18 4.905 3.999 -6.958
144 HB3 ARG 18 1HB ARG 18 3.953 2.820 -6.095
145 HG2 ARG 18 2HG ARG 18 2.585 4.513 -7.274
146 HG3 ARG 18 1HG ARG 18 2.288 4.486 -5.547
147 HD2 ARG 18 2HD ARG 18 4.299 6.432 -6.529
148 HD3 ARG 18 1HD ARG 18 2.623 6.741 -6.973
149 HE ARG 18 HE ARG 18 2.233 6.441 -4.456
150 HH11 ARG 18 1HH1 ARG 18 5.315 7.619 -5.511
151 HH12 ARG 18 2HH1 ARG 18 5.413 8.966 -4.460
152 HH21 ARG 18 1HH2 ARG 18 2.300 8.134 -2.892
153 HH22 ARG 18 2HH2 ARG 18 3.586 9.261 -2.843
Start of MODEL 12
1 H1 LEU 1 H LEU 1 7.169 -6.069 0.810
2 HA LEU 1 HA LEU 1 5.412 -5.686 -0.632
3 HB2 LEU 1 2HB LEU 1 5.561 -4.198 -2.546
4 HB3 LEU 1 1HB LEU 1 5.858 -3.269 -1.100
5 HG LEU 1 HG LEU 1 8.050 -4.204 -2.983
6 HD11 LEU 1 1HD1 LEU 1 8.066 -1.908 -3.824
7 HD12 LEU 1 2HD1 LEU 1 6.658 -1.535 -2.830
8 HD13 LEU 1 3HD1 LEU 1 6.527 -2.706 -4.143
9 HD21 LEU 1 3HD2 LEU 1 8.890 -3.670 -0.738
10 HD22 LEU 1 1HD2 LEU 1 8.041 -2.122 -0.783
11 HD23 LEU 1 2HD2 LEU 1 9.375 -2.432 -1.889
12 H VAL 2 H VAL 2 5.395 -6.708 -2.866
13 HA VAL 2 HA VAL 2 7.895 -8.157 -3.333
14 HB VAL 2 HB VAL 2 5.081 -9.313 -3.525
15 HG11 VAL 2 1HG1 VAL 2 7.763 -10.640 -3.934
16 HG12 VAL 2 2HG1 VAL 2 6.582 -10.260 -5.188
17 HG13 VAL 2 3HG1 VAL 2 6.200 -11.458 -3.952
18 HG21 VAL 2 3HG2 VAL 2 5.747 -9.074 -1.186
19 HG22 VAL 2 1HG2 VAL 2 7.255 -9.927 -1.516
20 HG23 VAL 2 2HG2 VAL 2 5.715 -10.776 -1.649
21 H ARG 3 H ARG 3 8.564 -7.289 -5.149
22 HA ARG 3 HA ARG 3 8.749 -6.644 -7.286
23 HB2 ARG 3 2HB ARG 3 7.602 -8.684 -7.973
24 HB3 ARG 3 1HB ARG 3 6.042 -7.962 -7.648
25 HG2 ARG 3 2HG ARG 3 6.429 -8.092 -10.041
26 HG3 ARG 3 1HG ARG 3 6.370 -6.411 -9.534
27 HD2 ARG 3 2HD ARG 3 8.954 -7.931 -9.946
28 HD3 ARG 3 1HD ARG 3 8.170 -7.008 -11.224
29 HE ARG 3 HE ARG 3 8.423 -5.284 -9.098
30 HH11 ARG 3 1HH1 ARG 3 10.680 -7.091 -11.138
31 HH12 ARG 3 2HH1 ARG 3 11.959 -5.981 -10.981
32 HH21 ARG 3 1HH2 ARG 3 10.131 -3.761 -8.855
33 HH22 ARG 3 2HH2 ARG 3 11.632 -3.989 -9.620
34 H GLY 4 H GLY 4 5.522 -5.952 -6.100
35 HA2 GLY 4 2HA GLY 4 5.976 -3.130 -6.448
36 HA3 GLY 4 1HA GLY 4 4.675 -3.817 -7.428
37 H CYS 5 H CYS 5 3.285 -2.384 -6.087
38 HA CYS 5 HA CYS 5 2.260 -3.915 -3.830
39 HB2 CYS 5 2HB CYS 5 3.913 -2.162 -3.007
40 HB3 CYS 5 1HB CYS 5 2.804 -0.978 -3.548
41 H TRP 6 H TRP 6 0.361 -4.067 -3.755
42 HA TRP 6 HA TRP 6 -1.360 -2.195 -4.936
43 HB2 TRP 6 2HB TRP 6 -1.296 -3.154 -6.970
44 HB3 TRP 6 1HB TRP 6 -0.360 -4.498 -6.370
45 HD1 TRP 6 HD TRP 6 -1.624 -6.651 -5.781
46 HE1 TRP 6 1HE TRP 6 -3.983 -7.572 -6.615
47 HE3 TRP 6 3HE TRP 6 -3.575 -2.342 -7.462
48 HZ2 TRP 6 2HZ TRP 6 -6.290 -6.492 -7.813
49 HZ3 TRP 6 3HZ TRP 6 -5.796 -2.268 -8.403
50 HH2 TRP 6 HH TRP 6 -7.158 -4.322 -8.607
51 H THR 7 H THR 7 -3.262 -2.183 -3.865
52 HA THR 7 HA THR 7 -3.303 -3.844 -1.502
53 HB THR 7 HB THR 7 -4.962 -2.268 -0.622
54 HG1 THR 7 1HG THR 7 -4.837 -1.035 -3.195
55 HG21 THR 7 3HG2 THR 7 -2.746 -0.790 -2.053
56 HG22 THR 7 1HG2 THR 7 -2.607 -1.566 -0.474
57 HG23 THR 7 2HG2 THR 7 -3.674 -0.173 -0.697
58 H LYS 8 H LYS 8 -4.973 -5.168 -0.907
59 HA LYS 8 HA LYS 8 -6.803 -5.917 -3.054
60 HB2 LYS 8 2HB LYS 8 -5.830 -7.540 -0.670
61 HB3 LYS 8 1HB LYS 8 -7.070 -8.075 -1.782
62 HG2 LYS 8 2HG LYS 8 -5.056 -9.197 -2.373
63 HG3 LYS 8 1HG LYS 8 -5.342 -7.979 -3.610
64 HD2 LYS 8 2HD LYS 8 -3.720 -6.498 -2.493
65 HD3 LYS 8 1HD LYS 8 -3.429 -7.747 -1.285
66 HE2 LYS 8 2HE LYS 8 -2.591 -9.241 -3.012
67 HE3 LYS 8 1HE LYS 8 -2.946 -8.033 -4.248
68 HZ1 LYS 8 3HZ LYS 8 -1.400 -6.537 -3.145
69 HZ2 LYS 8 1HZ LYS 8 -0.618 -7.951 -3.667
70 HZ3 LYS 8 2HZ LYS 8 -1.000 -7.736 -2.028
71 H SER 9 H SER 9 -8.693 -5.026 -2.774
72 HA SER 9 HA SER 9 -10.127 -5.201 -0.339
73 HB2 SER 9 2HB SER 9 -8.684 -3.143 0.015
74 HB3 SER 9 1HB SER 9 -9.358 -2.464 -1.463
75 HG SER 9 HG SER 9 -10.507 -1.639 0.230
76 H TYR 10 H TYR 10 -12.067 -3.358 -1.138
77 HA TYR 10 HA TYR 10 -12.546 -3.922 -3.932
78 HB2 TYR 10 2HB TYR 10 -13.776 -5.680 -2.662
79 HB3 TYR 10 1HB TYR 10 -14.644 -4.423 -1.789
80 HD1 TYR 10 2HD TYR 10 -14.114 -5.892 -5.149
81 HD2 TYR 10 1HD TYR 10 -16.595 -3.426 -2.724
82 HE1 TYR 10 2HE TYR 10 -15.815 -5.866 -6.923
83 HE2 TYR 10 1HE TYR 10 -18.300 -3.393 -4.495
84 HH TYR 10 HH TYR 10 -18.245 -5.499 -7.146
85 HA PRO 11 HA PRO 11 -12.613 -2.877 -5.445
86 HB2 PRO 11 2HB PRO 11 -11.566 -0.374 -6.377
87 HB3 PRO 11 1HB PRO 11 -12.827 -1.437 -7.052
88 HG2 PRO 11 2HG PRO 11 -13.383 1.039 -6.007
89 HG3 PRO 11 1HG PRO 11 -14.542 -0.307 -6.051
90 HD2 PRO 11 2HD PRO 11 -12.823 0.601 -3.774
91 HD3 PRO 11 1HD PRO 11 -14.526 0.091 -3.770
92 HA PRO 12 HA PRO 12 -8.383 -2.928 -4.047
93 HB2 PRO 12 2HB PRO 12 -7.382 -4.490 -6.069
94 HB3 PRO 12 1HB PRO 12 -8.341 -5.148 -4.731
95 HG2 PRO 12 2HG PRO 12 -9.104 -4.765 -7.526
96 HG3 PRO 12 1HG PRO 12 -9.793 -5.837 -6.297
97 HD2 PRO 12 2HD PRO 12 -10.877 -3.351 -7.176
98 HD3 PRO 12 1HD PRO 12 -11.473 -4.333 -5.882
99 H LYS 13 H LYS 13 -6.365 -1.931 -4.583
100 HA LYS 13 HA LYS 13 -6.259 -0.417 -7.093
101 HB2 LYS 13 2HB LYS 13 -7.741 0.668 -5.205
102 HB3 LYS 13 1HB LYS 13 -6.162 1.012 -4.512
103 HG2 LYS 13 2HG LYS 13 -6.827 1.925 -7.293
104 HG3 LYS 13 1HG LYS 13 -7.413 2.815 -5.895
105 HD2 LYS 13 2HD LYS 13 -4.526 2.153 -6.371
106 HD3 LYS 13 1HD LYS 13 -5.270 3.663 -6.906
107 HE2 LYS 13 2HE LYS 13 -5.862 4.171 -4.562
108 HE3 LYS 13 1HE LYS 13 -5.068 2.681 -4.048
109 HZ1 LYS 13 3HZ LYS 13 -3.576 4.592 -3.801
110 HZ2 LYS 13 1HZ LYS 13 -3.812 4.949 -5.440
111 HZ3 LYS 13 2HZ LYS 13 -3.024 3.523 -5.009
112 HA PRO 14 HA PRO 14 -1.870 -1.166 -6.340
113 HB2 PRO 14 2HB PRO 14 -0.780 0.984 -7.686
114 HB3 PRO 14 1HB PRO 14 -1.317 -0.511 -8.463
115 HG2 PRO 14 2HG PRO 14 -2.794 2.061 -8.216
116 HG3 PRO 14 1HG PRO 14 -2.660 0.967 -9.609
117 HD2 PRO 14 2HD PRO 14 -4.852 0.953 -8.122
118 HD3 PRO 14 1HD PRO 14 -4.164 -0.564 -8.733
119 H CYS 15 H CYS 15 -0.063 -0.381 -4.904
120 HA CYS 15 HA CYS 15 -1.013 1.367 -2.879
121 HB2 CYS 15 2HB CYS 15 1.407 0.096 -3.605
122 HB3 CYS 15 1HB CYS 15 1.423 0.887 -2.059
123 H PHE 16 H PHE 16 -1.182 3.214 -3.607
124 HA PHE 16 HA PHE 16 1.112 4.971 -3.921
125 HB2 PHE 16 2HB PHE 16 -1.112 4.916 -6.003
126 HB3 PHE 16 1HB PHE 16 0.047 6.221 -5.840
127 HD1 PHE 16 1HD PHE 16 2.519 5.636 -6.175
128 HD2 PHE 16 2HD PHE 16 -0.680 3.102 -7.364
129 HE1 PHE 16 1HE PHE 16 4.024 4.485 -7.742
130 HE2 PHE 16 2HE PHE 16 0.822 1.938 -8.933
131 HZ PHE 16 HZ PHE 16 3.176 2.629 -9.122
132 H VAL 17 H VAL 17 0.337 7.293 -3.725
133 HA VAL 17 HA VAL 17 -1.776 7.367 -1.759
134 HB VAL 17 HB VAL 17 -0.123 9.709 -2.800
135 HG11 VAL 17 1HG1 VAL 17 -0.645 10.807 -0.670
136 HG12 VAL 17 2HG1 VAL 17 -1.643 9.428 -0.208
137 HG13 VAL 17 3HG1 VAL 17 -2.106 10.427 -1.584
138 HG21 VAL 17 3HG2 VAL 17 1.375 8.002 -1.929
139 HG22 VAL 17 1HG2 VAL 17 0.459 7.943 -0.423
140 HG23 VAL 17 2HG2 VAL 17 1.349 9.402 -0.857
141 H ARG 18 H ARG 18 -1.602 7.400 -4.789
142 HA ARG 18 HA ARG 18 -4.277 8.334 -5.266
143 HB2 ARG 18 2HB ARG 18 -2.857 10.391 -5.653
144 HB3 ARG 18 1HB ARG 18 -1.969 9.497 -6.876
145 HG2 ARG 18 2HG ARG 18 -4.666 9.253 -7.593
146 HG3 ARG 18 1HG ARG 18 -4.451 10.938 -7.118
147 HD2 ARG 18 2HD ARG 18 -4.009 10.624 -9.509
148 HD3 ARG 18 1HD ARG 18 -2.546 11.125 -8.654
149 HE ARG 18 HE ARG 18 -2.535 8.394 -8.599
150 HH11 ARG 18 1HH1 ARG 18 -2.458 10.796 -11.175
151 HH12 ARG 18 2HH1 ARG 18 -1.603 9.809 -12.275
152 HH21 ARG 18 1HH2 ARG 18 -1.435 7.080 -9.975
153 HH22 ARG 18 2HH2 ARG 18 -0.972 7.536 -11.557
Start of MODEL 13
1 H1 LEU 1 H LEU 1 14.492 -9.081 -5.774
2 HA LEU 1 HA LEU 1 12.364 -10.223 -5.747
3 HB2 LEU 1 2HB LEU 1 12.356 -7.783 -3.942
4 HB3 LEU 1 1HB LEU 1 11.397 -9.224 -3.692
5 HG LEU 1 HG LEU 1 14.412 -9.073 -3.553
6 HD11 LEU 1 1HD1 LEU 1 12.347 -9.372 -1.380
7 HD12 LEU 1 2HD1 LEU 1 13.341 -7.948 -1.687
8 HD13 LEU 1 3HD1 LEU 1 14.095 -9.452 -1.161
9 HD21 LEU 1 3HD2 LEU 1 13.665 -11.266 -4.331
10 HD22 LEU 1 1HD2 LEU 1 12.530 -11.369 -2.983
11 HD23 LEU 1 2HD2 LEU 1 14.265 -11.365 -2.677
12 H VAL 2 H VAL 2 9.894 -9.401 -5.119
13 HA VAL 2 HA VAL 2 9.058 -8.101 -7.539
14 HB VAL 2 HB VAL 2 7.870 -10.098 -6.613
15 HG11 VAL 2 1HG1 VAL 2 6.371 -9.887 -4.687
16 HG12 VAL 2 2HG1 VAL 2 7.040 -8.287 -4.365
17 HG13 VAL 2 3HG1 VAL 2 8.073 -9.711 -4.257
18 HG21 VAL 2 3HG2 VAL 2 5.566 -9.289 -6.904
19 HG22 VAL 2 1HG2 VAL 2 6.653 -8.627 -8.124
20 HG23 VAL 2 2HG2 VAL 2 6.139 -7.629 -6.763
21 H ARG 3 H ARG 3 7.891 -6.116 -7.588
22 HA ARG 3 HA ARG 3 7.951 -4.531 -5.125
23 HB2 ARG 3 2HB ARG 3 8.818 -2.576 -6.357
24 HB3 ARG 3 1HB ARG 3 9.964 -3.903 -6.350
25 HG2 ARG 3 2HG ARG 3 9.369 -4.454 -8.645
26 HG3 ARG 3 1HG ARG 3 8.157 -3.171 -8.650
27 HD2 ARG 3 2HD ARG 3 9.920 -1.511 -8.266
28 HD3 ARG 3 1HD ARG 3 11.128 -2.795 -8.266
29 HE ARG 3 HE ARG 3 9.828 -3.074 -10.630
30 HH11 ARG 3 1HH1 ARG 3 11.572 -0.420 -9.088
31 HH12 ARG 3 2HH1 ARG 3 12.127 0.302 -10.523
32 HH21 ARG 3 1HH2 ARG 3 10.579 -2.103 -12.673
33 HH22 ARG 3 2HH2 ARG 3 11.533 -0.701 -12.645
34 H GLY 4 H GLY 4 5.898 -5.912 -6.683
35 HA2 GLY 4 2HA GLY 4 4.334 -3.728 -7.818
36 HA3 GLY 4 1HA GLY 4 3.953 -5.447 -7.921
37 H CYS 5 H CYS 5 3.316 -2.572 -6.301
38 HA CYS 5 HA CYS 5 2.067 -4.021 -4.037
39 HB2 CYS 5 2HB CYS 5 3.786 -2.361 -3.387
40 HB3 CYS 5 1HB CYS 5 2.913 -1.151 -4.298
41 H TRP 6 H TRP 6 0.164 -4.301 -4.128
42 HA TRP 6 HA TRP 6 -1.601 -2.279 -4.935
43 HB2 TRP 6 2HB TRP 6 -1.807 -2.906 -7.087
44 HB3 TRP 6 1HB TRP 6 -0.640 -4.162 -6.819
45 HD1 TRP 6 HD TRP 6 -1.581 -6.604 -6.501
46 HE1 TRP 6 1HE TRP 6 -3.833 -7.661 -7.442
47 HE3 TRP 6 3HE TRP 6 -4.117 -2.362 -7.354
48 HZ2 TRP 6 2HZ TRP 6 -6.308 -6.702 -8.394
49 HZ3 TRP 6 3HZ TRP 6 -6.349 -2.400 -8.236
50 HH2 TRP 6 HH TRP 6 -7.469 -4.558 -8.784
51 H THR 7 H THR 7 -3.087 -2.183 -3.610
52 HA THR 7 HA THR 7 -3.148 -3.937 -1.400
53 HB THR 7 HB THR 7 -4.819 -2.366 -0.497
54 HG1 THR 7 1HG THR 7 -4.578 -0.853 -2.879
55 HG21 THR 7 3HG2 THR 7 -3.455 -0.323 -0.528
56 HG22 THR 7 1HG2 THR 7 -2.553 -0.940 -1.905
57 HG23 THR 7 2HG2 THR 7 -2.428 -1.748 -0.341
58 H LYS 8 H LYS 8 -4.880 -5.130 -0.613
59 HA LYS 8 HA LYS 8 -6.644 -6.138 -2.709
60 HB2 LYS 8 2HB LYS 8 -6.335 -7.347 0.042
61 HB3 LYS 8 1HB LYS 8 -6.834 -8.133 -1.444
62 HG2 LYS 8 2HG LYS 8 -4.046 -7.320 -0.635
63 HG3 LYS 8 1HG LYS 8 -4.667 -8.950 -0.867
64 HD2 LYS 8 2HD LYS 8 -4.872 -8.554 -3.260
65 HD3 LYS 8 1HD LYS 8 -4.370 -6.874 -3.043
66 HE2 LYS 8 2HE LYS 8 -2.231 -7.795 -2.032
67 HE3 LYS 8 1HE LYS 8 -2.733 -9.368 -2.649
68 HZ1 LYS 8 3HZ LYS 8 -2.272 -6.915 -4.220
69 HZ2 LYS 8 1HZ LYS 8 -2.792 -8.383 -4.891
70 HZ3 LYS 8 2HZ LYS 8 -1.252 -8.261 -4.188
71 H SER 9 H SER 9 -8.523 -5.078 -2.714
72 HA SER 9 HA SER 9 -10.037 -4.699 -0.298
73 HB2 SER 9 2HB SER 9 -9.302 -2.331 -2.066
74 HB3 SER 9 1HB SER 9 -10.293 -2.298 -0.613
75 HG SER 9 HG SER 9 -8.052 -3.369 0.111
76 H TYR 10 H TYR 10 -12.067 -3.218 -1.353
77 HA TYR 10 HA TYR 10 -12.428 -3.973 -4.099
78 HB2 TYR 10 2HB TYR 10 -13.566 -5.756 -2.771
79 HB3 TYR 10 1HB TYR 10 -14.503 -4.522 -1.937
80 HD1 TYR 10 2HD TYR 10 -13.870 -5.998 -5.285
81 HD2 TYR 10 1HD TYR 10 -16.543 -3.755 -2.849
82 HE1 TYR 10 2HE TYR 10 -15.582 -6.139 -7.043
83 HE2 TYR 10 1HE TYR 10 -18.262 -3.890 -4.603
84 HH TYR 10 HH TYR 10 -18.406 -4.244 -7.018
85 HA PRO 11 HA PRO 11 -12.482 -2.917 -5.642
86 HB2 PRO 11 2HB PRO 11 -11.424 -0.360 -6.462
87 HB3 PRO 11 1HB PRO 11 -12.575 -1.455 -7.267
88 HG2 PRO 11 2HG PRO 11 -13.328 0.963 -6.245
89 HG3 PRO 11 1HG PRO 11 -14.417 -0.433 -6.389
90 HD2 PRO 11 2HD PRO 11 -12.940 0.545 -3.979
91 HD3 PRO 11 1HD PRO 11 -14.606 -0.060 -4.116
92 HA PRO 12 HA PRO 12 -8.321 -2.935 -3.951
93 HB2 PRO 12 2HB PRO 12 -7.300 -4.328 -6.227
94 HB3 PRO 12 1HB PRO 12 -7.799 -5.040 -4.684
95 HG2 PRO 12 2HG PRO 12 -9.076 -5.383 -7.139
96 HG3 PRO 12 1HG PRO 12 -9.695 -5.832 -5.543
97 HD2 PRO 12 2HD PRO 12 -10.476 -3.537 -7.230
98 HD3 PRO 12 1HD PRO 12 -11.342 -4.319 -5.947
99 H LYS 13 H LYS 13 -6.141 -2.124 -4.524
100 HA LYS 13 HA LYS 13 -6.109 -0.250 -6.773
101 HB2 LYS 13 2HB LYS 13 -7.415 0.969 -5.300
102 HB3 LYS 13 1HB LYS 13 -6.495 0.377 -3.938
103 HG2 LYS 13 2HG LYS 13 -6.182 2.767 -4.228
104 HG3 LYS 13 1HG LYS 13 -4.681 1.912 -4.520
105 HD2 LYS 13 2HD LYS 13 -4.886 2.213 -6.864
106 HD3 LYS 13 1HD LYS 13 -6.533 2.840 -6.702
107 HE2 LYS 13 2HE LYS 13 -4.788 4.620 -7.021
108 HE3 LYS 13 1HE LYS 13 -5.761 4.801 -5.564
109 HZ1 LYS 13 3HZ LYS 13 -3.032 3.601 -5.641
110 HZ2 LYS 13 1HZ LYS 13 -3.954 3.821 -4.279
111 HZ3 LYS 13 2HZ LYS 13 -3.396 5.166 -5.057
112 HA PRO 14 HA PRO 14 -1.567 -1.059 -6.282
113 HB2 PRO 14 2HB PRO 14 -0.804 1.148 -7.788
114 HB3 PRO 14 1HB PRO 14 -1.165 -0.436 -8.489
115 HG2 PRO 14 2HG PRO 14 -2.924 1.956 -8.315
116 HG3 PRO 14 1HG PRO 14 -2.731 0.788 -9.641
117 HD2 PRO 14 2HD PRO 14 -4.848 0.648 -8.073
118 HD3 PRO 14 1HD PRO 14 -4.017 -0.822 -8.605
119 H CYS 15 H CYS 15 -0.133 -0.165 -4.615
120 HA CYS 15 HA CYS 15 -1.627 1.666 -3.056
121 HB2 CYS 15 2HB CYS 15 -0.048 1.393 -1.267
122 HB3 CYS 15 1HB CYS 15 -0.517 -0.121 -2.045
123 H PHE 16 H PHE 16 -1.770 3.412 -3.373
124 HA PHE 16 HA PHE 16 0.431 5.333 -3.480
125 HB2 PHE 16 2HB PHE 16 -1.561 5.243 -5.785
126 HB3 PHE 16 1HB PHE 16 -0.487 6.593 -5.473
127 HD1 PHE 16 1HD PHE 16 2.024 6.149 -5.589
128 HD2 PHE 16 2HD PHE 16 -0.892 3.448 -7.107
129 HE1 PHE 16 1HE PHE 16 3.738 5.103 -7.008
130 HE2 PHE 16 2HE PHE 16 0.821 2.393 -8.527
131 HZ PHE 16 HZ PHE 16 3.137 3.220 -8.477
132 H VAL 17 H VAL 17 -0.348 5.919 -1.537
133 HA VAL 17 HA VAL 17 -1.500 6.913 0.070
134 HB VAL 17 HB VAL 17 -1.081 8.884 -1.528
135 HG11 VAL 17 1HG1 VAL 17 -2.696 8.475 -3.237
136 HG12 VAL 17 2HG1 VAL 17 -2.992 10.050 -2.500
137 HG13 VAL 17 3HG1 VAL 17 -4.019 8.676 -2.088
138 HG21 VAL 17 3HG2 VAL 17 -3.323 9.155 0.467
139 HG22 VAL 17 1HG2 VAL 17 -2.399 10.498 -0.204
140 HG23 VAL 17 2HG2 VAL 17 -1.596 9.287 0.795
141 H ARG 18 H ARG 18 -2.800 4.825 -1.537
142 HA ARG 18 HA ARG 18 -5.049 4.284 -0.040
143 HB2 ARG 18 2HB ARG 18 -5.801 6.253 -1.694
144 HB3 ARG 18 1HB ARG 18 -5.759 4.993 -2.903
145 HG2 ARG 18 2HG ARG 18 -7.435 4.680 -0.422
146 HG3 ARG 18 1HG ARG 18 -8.008 5.646 -1.766
147 HD2 ARG 18 2HD ARG 18 -8.987 3.483 -1.953
148 HD3 ARG 18 1HD ARG 18 -7.776 3.600 -3.215
149 HE ARG 18 HE ARG 18 -6.405 2.348 -1.296
150 HH11 ARG 18 1HH1 ARG 18 -9.603 1.674 -2.664
151 HH12 ARG 18 2HH1 ARG 18 -9.553 0.012 -2.318
152 HH21 ARG 18 1HH2 ARG 18 -6.351 0.174 -0.779
153 HH22 ARG 18 2HH2 ARG 18 -7.633 -0.890 -1.086
Start of MODEL 14
1 H1 LEU 1 H LEU 1 5.563 -4.005 -0.649
2 HA LEU 1 HA LEU 1 7.614 -2.740 -0.508
3 HB2 LEU 1 2HB LEU 1 7.434 -4.266 -3.120
4 HB3 LEU 1 1HB LEU 1 8.917 -3.854 -2.290
5 HG LEU 1 HG LEU 1 6.802 -5.754 -1.269
6 HD11 LEU 1 1HD1 LEU 1 8.481 -7.482 -1.673
7 HD12 LEU 1 2HD1 LEU 1 9.554 -6.273 -2.379
8 HD13 LEU 1 3HD1 LEU 1 8.022 -6.659 -3.164
9 HD21 LEU 1 3HD2 LEU 1 9.508 -5.026 -0.135
10 HD22 LEU 1 1HD2 LEU 1 8.449 -6.299 0.472
11 HD23 LEU 1 2HD2 LEU 1 7.941 -4.615 0.566
12 H VAL 2 H VAL 2 9.274 -1.614 -2.055
13 HA VAL 2 HA VAL 2 8.215 0.793 -2.872
14 HB VAL 2 HB VAL 2 10.579 0.604 -2.354
15 HG11 VAL 2 1HG1 VAL 2 12.200 -0.535 -3.800
16 HG12 VAL 2 2HG1 VAL 2 10.872 -1.157 -4.780
17 HG13 VAL 2 3HG1 VAL 2 11.030 -1.652 -3.096
18 HG21 VAL 2 3HG2 VAL 2 10.004 2.407 -3.880
19 HG22 VAL 2 1HG2 VAL 2 10.232 1.335 -5.261
20 HG23 VAL 2 2HG2 VAL 2 11.610 1.781 -4.256
21 H ARG 3 H ARG 3 6.749 1.152 -4.374
22 HA ARG 3 HA ARG 3 5.623 1.290 -6.175
23 HB2 ARG 3 2HB ARG 3 7.870 -0.137 -7.617
24 HB3 ARG 3 1HB ARG 3 6.449 0.691 -8.271
25 HG2 ARG 3 2HG ARG 3 7.216 2.818 -7.517
26 HG3 ARG 3 1HG ARG 3 8.562 2.078 -6.650
27 HD2 ARG 3 2HD ARG 3 9.499 1.297 -8.775
28 HD3 ARG 3 1HD ARG 3 8.151 2.033 -9.640
29 HE ARG 3 HE ARG 3 9.295 4.022 -8.126
30 HH11 ARG 3 1HH1 ARG 3 10.324 1.910 -10.767
31 HH12 ARG 3 2HH1 ARG 3 11.436 2.994 -11.452
32 HH21 ARG 3 1HH2 ARG 3 10.851 5.586 -9.058
33 HH22 ARG 3 2HH2 ARG 3 11.743 5.167 -10.437
34 H GLY 4 H GLY 4 7.022 -1.901 -5.775
35 HA2 GLY 4 2HA GLY 4 4.776 -3.233 -6.985
36 HA3 GLY 4 1HA GLY 4 6.102 -4.003 -6.125
37 H CYS 5 H CYS 5 3.140 -2.181 -5.670
38 HA CYS 5 HA CYS 5 2.217 -3.996 -3.611
39 HB2 CYS 5 2HB CYS 5 3.572 -2.314 -2.421
40 HB3 CYS 5 1HB CYS 5 2.606 -1.040 -2.966
41 H TRP 6 H TRP 6 0.135 -4.011 -3.356
42 HA TRP 6 HA TRP 6 -1.405 -2.208 -4.840
43 HB2 TRP 6 2HB TRP 6 -1.273 -3.387 -6.732
44 HB3 TRP 6 1HB TRP 6 -0.455 -4.704 -5.931
45 HD1 TRP 6 HD TRP 6 -1.909 -6.673 -5.126
46 HE1 TRP 6 1HE TRP 6 -4.228 -7.580 -6.021
47 HE3 TRP 6 3HE TRP 6 -3.408 -2.557 -7.571
48 HZ2 TRP 6 2HZ TRP 6 -6.373 -6.547 -7.588
49 HZ3 TRP 6 3HZ TRP 6 -5.521 -2.481 -8.703
50 HH2 TRP 6 HH TRP 6 -7.014 -4.465 -8.754
51 H THR 7 H THR 7 -3.448 -2.000 -3.945
52 HA THR 7 HA THR 7 -3.645 -3.370 -1.424
53 HB THR 7 HB THR 7 -5.253 -1.668 -0.733
54 HG1 THR 7 1HG THR 7 -6.204 -1.607 -2.934
55 HG21 THR 7 3HG2 THR 7 -3.136 -0.362 -2.402
56 HG22 THR 7 1HG2 THR 7 -2.896 -0.978 -0.764
57 HG23 THR 7 2HG2 THR 7 -3.992 0.390 -1.064
58 H LYS 8 H LYS 8 -4.393 -5.268 -1.712
59 HA LYS 8 HA LYS 8 -6.600 -5.889 -3.463
60 HB2 LYS 8 2HB LYS 8 -4.850 -7.566 -2.927
61 HB3 LYS 8 1HB LYS 8 -5.360 -7.530 -1.245
62 HG2 LYS 8 2HG LYS 8 -7.623 -8.318 -2.017
63 HG3 LYS 8 1HG LYS 8 -6.918 -8.552 -3.615
64 HD2 LYS 8 2HD LYS 8 -6.918 -10.663 -2.435
65 HD3 LYS 8 1HD LYS 8 -5.253 -10.101 -2.601
66 HE2 LYS 8 2HE LYS 8 -5.277 -9.286 -0.295
67 HE3 LYS 8 1HE LYS 8 -6.968 -9.762 -0.130
68 HZ1 LYS 8 3HZ LYS 8 -5.487 -11.364 0.867
69 HZ2 LYS 8 1HZ LYS 8 -4.676 -11.591 -0.602
70 HZ3 LYS 8 2HZ LYS 8 -6.297 -12.061 -0.442
71 H SER 9 H SER 9 -8.446 -4.926 -2.900
72 HA SER 9 HA SER 9 -9.819 -5.676 -0.545
73 HB2 SER 9 2HB SER 9 -8.375 -3.727 0.229
74 HB3 SER 9 1HB SER 9 -9.135 -2.736 -1.011
75 HG SER 9 HG SER 9 -9.975 -3.108 1.424
76 H TYR 10 H TYR 10 -11.698 -3.540 -0.906
77 HA TYR 10 HA TYR 10 -12.339 -3.662 -3.732
78 HB2 TYR 10 2HB TYR 10 -13.699 -5.423 -2.633
79 HB3 TYR 10 1HB TYR 10 -14.337 -4.228 -1.511
80 HD1 TYR 10 2HD TYR 10 -14.183 -5.091 -5.124
81 HD2 TYR 10 1HD TYR 10 -16.274 -3.006 -2.061
82 HE1 TYR 10 2HE TYR 10 -15.999 -4.599 -6.707
83 HE2 TYR 10 1HE TYR 10 -18.095 -2.507 -3.636
84 HH TYR 10 HH TYR 10 -18.456 -2.335 -6.045
85 HA PRO 11 HA PRO 11 -12.648 -2.468 -5.136
86 HB2 PRO 11 2HB PRO 11 -11.473 -0.019 -6.040
87 HB3 PRO 11 1HB PRO 11 -12.970 -0.849 -6.538
88 HG2 PRO 11 2HG PRO 11 -12.964 1.550 -5.189
89 HG3 PRO 11 1HG PRO 11 -14.298 0.379 -5.143
90 HD2 PRO 11 2HD PRO 11 -12.103 0.789 -3.150
91 HD3 PRO 11 1HD PRO 11 -13.836 0.494 -2.878
92 HA PRO 12 HA PRO 12 -8.302 -3.138 -4.525
93 HB2 PRO 12 2HB PRO 12 -7.877 -4.672 -6.748
94 HB3 PRO 12 1HB PRO 12 -8.710 -5.286 -5.309
95 HG2 PRO 12 2HG PRO 12 -9.824 -4.582 -7.920
96 HG3 PRO 12 1HG PRO 12 -10.461 -5.658 -6.666
97 HD2 PRO 12 2HD PRO 12 -11.291 -2.985 -7.194
98 HD3 PRO 12 1HD PRO 12 -11.826 -3.988 -5.884
99 H LYS 13 H LYS 13 -6.564 -1.903 -5.013
100 HA LYS 13 HA LYS 13 -6.290 -0.612 -7.608
101 HB2 LYS 13 2HB LYS 13 -7.969 0.653 -6.184
102 HB3 LYS 13 1HB LYS 13 -6.682 0.805 -5.008
103 HG2 LYS 13 2HG LYS 13 -6.436 1.983 -7.759
104 HG3 LYS 13 1HG LYS 13 -7.301 2.823 -6.484
105 HD2 LYS 13 2HD LYS 13 -4.469 1.889 -6.321
106 HD3 LYS 13 1HD LYS 13 -4.916 3.534 -6.790
107 HE2 LYS 13 2HE LYS 13 -4.400 3.766 -4.492
108 HE3 LYS 13 1HE LYS 13 -6.149 3.608 -4.488
109 HZ1 LYS 13 3HZ LYS 13 -4.944 2.269 -2.760
110 HZ2 LYS 13 1HZ LYS 13 -4.248 1.391 -3.995
111 HZ3 LYS 13 2HZ LYS 13 -5.911 1.281 -3.707
112 HA PRO 14 HA PRO 14 -2.030 -1.417 -6.358
113 HB2 PRO 14 2HB PRO 14 -0.695 0.764 -7.420
114 HB3 PRO 14 1HB PRO 14 -1.149 -0.680 -8.335
115 HG2 PRO 14 2HG PRO 14 -2.592 1.920 -8.182
116 HG3 PRO 14 1HG PRO 14 -2.290 0.880 -9.590
117 HD2 PRO 14 2HD PRO 14 -4.672 0.869 -8.427
118 HD3 PRO 14 1HD PRO 14 -3.938 -0.648 -8.990
119 H CYS 15 H CYS 15 -0.143 -0.495 -4.851
120 HA CYS 15 HA CYS 15 -1.310 1.205 -2.859
121 HB2 CYS 15 2HB CYS 15 1.100 -0.286 -3.384
122 HB3 CYS 15 1HB CYS 15 1.139 0.695 -1.933
123 H PHE 16 H PHE 16 0.743 2.512 -1.990
124 HA PHE 16 HA PHE 16 1.490 4.454 -4.040
125 HB2 PHE 16 2HB PHE 16 1.989 4.436 -1.036
126 HB3 PHE 16 1HB PHE 16 2.353 5.772 -2.119
127 HD1 PHE 16 1HD PHE 16 0.494 7.031 -3.181
128 HD2 PHE 16 2HD PHE 16 -0.193 4.095 -0.177
129 HE1 PHE 16 1HE PHE 16 -1.756 7.949 -2.803
130 HE2 PHE 16 2HE PHE 16 -2.445 5.007 0.205
131 HZ PHE 16 HZ PHE 16 -3.230 6.936 -1.109
132 H VAL 17 H VAL 17 4.041 5.159 -2.928
133 HA VAL 17 HA VAL 17 5.538 2.873 -3.845
134 HB VAL 17 HB VAL 17 6.650 5.532 -2.864
135 HG11 VAL 17 1HG1 VAL 17 8.639 4.940 -4.176
136 HG12 VAL 17 2HG1 VAL 17 7.899 3.393 -4.589
137 HG13 VAL 17 3HG1 VAL 17 8.311 3.753 -2.912
138 HG21 VAL 17 3HG2 VAL 17 5.133 5.918 -4.732
139 HG22 VAL 17 1HG2 VAL 17 5.974 4.696 -5.687
140 HG23 VAL 17 2HG2 VAL 17 6.803 6.184 -5.230
141 H ARG 18 H ARG 18 4.607 1.660 -2.022
142 HA ARG 18 HA ARG 18 6.498 0.994 -0.154
143 HB2 ARG 18 2HB ARG 18 5.197 1.540 1.962
144 HB3 ARG 18 1HB ARG 18 5.920 2.928 1.185
145 HG2 ARG 18 2HG ARG 18 3.920 3.911 1.495
146 HG3 ARG 18 1HG ARG 18 3.375 2.934 0.140
147 HD2 ARG 18 2HD ARG 18 3.183 2.081 3.041
148 HD3 ARG 18 1HD ARG 18 1.879 2.860 2.156
149 HE ARG 18 HE ARG 18 2.690 0.671 0.681
150 HH11 ARG 18 1HH1 ARG 18 1.198 1.207 3.834
151 HH12 ARG 18 2HH1 ARG 18 0.365 -0.283 3.863
152 HH21 ARG 18 1HH2 ARG 18 1.596 -1.298 0.677
153 HH22 ARG 18 2HH2 ARG 18 0.600 -1.797 1.962
Start of MODEL 15
1 H1 LEU 1 H LEU 1 13.679 3.804 -2.074
2 HA LEU 1 HA LEU 1 11.335 3.463 -1.452
3 HB2 LEU 1 2HB LEU 1 12.222 5.408 -2.909
4 HB3 LEU 1 1HB LEU 1 11.653 4.518 -4.294
5 HG LEU 1 HG LEU 1 9.814 5.527 -2.101
6 HD11 LEU 1 1HD1 LEU 1 9.269 7.357 -3.635
7 HD12 LEU 1 2HD1 LEU 1 10.530 6.803 -4.739
8 HD13 LEU 1 3HD1 LEU 1 10.960 7.405 -3.138
9 HD21 LEU 1 3HD2 LEU 1 8.067 5.256 -3.792
10 HD22 LEU 1 1HD2 LEU 1 8.889 3.721 -3.504
11 HD23 LEU 1 2HD2 LEU 1 9.263 4.666 -4.946
12 H VAL 2 H VAL 2 9.432 2.204 -1.853
13 HA VAL 2 HA VAL 2 9.827 0.128 -3.876
14 HB VAL 2 HB VAL 2 8.159 0.040 -1.335
15 HG11 VAL 2 1HG1 VAL 2 8.778 -2.145 -3.323
16 HG12 VAL 2 2HG1 VAL 2 7.215 -1.368 -3.079
17 HG13 VAL 2 3HG1 VAL 2 7.914 -2.360 -1.800
18 HG21 VAL 2 3HG2 VAL 2 10.793 -1.302 -1.952
19 HG22 VAL 2 1HG2 VAL 2 9.829 -1.561 -0.499
20 HG23 VAL 2 2HG2 VAL 2 10.542 0.022 -0.816
21 H ARG 3 H ARG 3 8.389 0.046 -5.489
22 HA ARG 3 HA ARG 3 5.836 1.425 -5.104
23 HB2 ARG 3 2HB ARG 3 7.567 1.378 -7.576
24 HB3 ARG 3 1HB ARG 3 5.865 1.812 -7.629
25 HG2 ARG 3 2HG ARG 3 6.320 3.655 -6.038
26 HG3 ARG 3 1HG ARG 3 8.024 3.219 -6.080
27 HD2 ARG 3 2HD ARG 3 8.207 3.803 -8.373
28 HD3 ARG 3 1HD ARG 3 6.457 3.955 -8.541
29 HE ARG 3 HE ARG 3 6.972 5.743 -6.653
30 HH11 ARG 3 1HH1 ARG 3 8.592 5.245 -9.765
31 HH12 ARG 3 2HH1 ARG 3 8.919 6.886 -10.055
32 HH21 ARG 3 1HH2 ARG 3 7.394 8.042 -7.041
33 HH22 ARG 3 2HH2 ARG 3 8.206 8.539 -8.444
34 H GLY 4 H GLY 4 7.036 -1.466 -5.126
35 HA2 GLY 4 2HA GLY 4 5.088 -2.659 -6.952
36 HA3 GLY 4 1HA GLY 4 6.438 -3.503 -6.187
37 H CYS 5 H CYS 5 3.374 -1.938 -5.567
38 HA CYS 5 HA CYS 5 2.691 -3.928 -3.654
39 HB2 CYS 5 2HB CYS 5 1.984 -1.914 -2.124
40 HB3 CYS 5 1HB CYS 5 3.605 -2.592 -1.999
41 H TRP 6 H TRP 6 0.452 -4.109 -3.384
42 HA TRP 6 HA TRP 6 -1.235 -2.227 -4.679
43 HB2 TRP 6 2HB TRP 6 -1.386 -3.344 -6.659
44 HB3 TRP 6 1HB TRP 6 -0.191 -4.463 -6.070
45 HD1 TRP 6 HD TRP 6 -1.055 -6.855 -5.262
46 HE1 TRP 6 1HE TRP 6 -3.231 -8.127 -5.806
47 HE3 TRP 6 3HE TRP 6 -3.819 -2.957 -6.955
48 HZ2 TRP 6 2HZ TRP 6 -5.803 -7.520 -6.838
49 HZ3 TRP 6 3HZ TRP 6 -6.088 -3.317 -7.684
50 HH2 TRP 6 HH TRP 6 -7.089 -5.599 -7.652
51 H THR 7 H THR 7 -3.402 -2.325 -3.833
52 HA THR 7 HA THR 7 -3.476 -3.936 -1.440
53 HB THR 7 HB THR 7 -5.210 -2.414 -0.635
54 HG1 THR 7 1HG THR 7 -6.399 -1.754 -2.308
55 HG21 THR 7 3HG2 THR 7 -2.980 -0.838 -1.925
56 HG22 THR 7 1HG2 THR 7 -2.878 -1.658 -0.363
57 HG23 THR 7 2HG2 THR 7 -3.981 -0.295 -0.587
58 H LYS 8 H LYS 8 -4.599 -5.755 -1.477
59 HA LYS 8 HA LYS 8 -6.664 -6.103 -3.468
60 HB2 LYS 8 2HB LYS 8 -5.277 -8.057 -2.849
61 HB3 LYS 8 1HB LYS 8 -5.811 -7.907 -1.179
62 HG2 LYS 8 2HG LYS 8 -8.132 -8.332 -1.923
63 HG3 LYS 8 1HG LYS 8 -7.528 -8.594 -3.556
64 HD2 LYS 8 2HD LYS 8 -6.201 -10.478 -2.792
65 HD3 LYS 8 1HD LYS 8 -6.704 -10.180 -1.125
66 HE2 LYS 8 2HE LYS 8 -8.520 -10.930 -3.418
67 HE3 LYS 8 1HE LYS 8 -7.991 -12.005 -2.126
68 HZ1 LYS 8 3HZ LYS 8 -9.637 -9.554 -1.770
69 HZ2 LYS 8 1HZ LYS 8 -9.134 -10.584 -0.528
70 HZ3 LYS 8 2HZ LYS 8 -10.214 -11.140 -1.705
71 H SER 9 H SER 9 -8.357 -4.890 -3.060
72 HA SER 9 HA SER 9 -9.739 -5.121 -0.532
73 HB2 SER 9 2HB SER 9 -9.954 -2.548 -0.622
74 HB3 SER 9 1HB SER 9 -8.398 -3.195 -0.104
75 HG SER 9 HG SER 9 -9.076 -1.812 -2.437
76 H TYR 10 H TYR 10 -11.730 -3.252 -1.104
77 HA TYR 10 HA TYR 10 -12.499 -3.624 -3.842
78 HB2 TYR 10 2HB TYR 10 -13.554 -5.531 -2.592
79 HB3 TYR 10 1HB TYR 10 -14.342 -4.367 -1.534
80 HD1 TYR 10 2HD TYR 10 -14.144 -5.544 -5.042
81 HD2 TYR 10 1HD TYR 10 -16.392 -3.348 -2.173
82 HE1 TYR 10 2HE TYR 10 -16.023 -5.414 -6.622
83 HE2 TYR 10 1HE TYR 10 -18.276 -3.211 -3.747
84 HH TYR 10 HH TYR 10 -18.467 -5.089 -6.560
85 HA PRO 11 HA PRO 11 -12.793 -2.389 -5.240
86 HB2 PRO 11 2HB PRO 11 -11.657 0.185 -5.870
87 HB3 PRO 11 1HB PRO 11 -12.992 -0.714 -6.631
88 HG2 PRO 11 2HG PRO 11 -13.407 1.580 -5.201
89 HG3 PRO 11 1HG PRO 11 -14.613 0.289 -5.372
90 HD2 PRO 11 2HD PRO 11 -12.775 0.838 -3.082
91 HD3 PRO 11 1HD PRO 11 -14.475 0.324 -3.071
92 HA PRO 12 HA PRO 12 -8.489 -2.855 -4.198
93 HB2 PRO 12 2HB PRO 12 -7.776 -4.401 -6.260
94 HB3 PRO 12 1HB PRO 12 -8.865 -5.006 -4.997
95 HG2 PRO 12 2HG PRO 12 -9.504 -4.193 -7.759
96 HG3 PRO 12 1HG PRO 12 -10.298 -5.386 -6.715
97 HD2 PRO 12 2HD PRO 12 -11.188 -2.735 -7.175
98 HD3 PRO 12 1HD PRO 12 -11.809 -3.819 -5.972
99 H LYS 13 H LYS 13 -6.460 -1.962 -4.747
100 HA LYS 13 HA LYS 13 -6.251 -0.462 -7.227
101 HB2 LYS 13 2HB LYS 13 -7.503 1.029 -5.820
102 HB3 LYS 13 1HB LYS 13 -6.415 0.658 -4.492
103 HG2 LYS 13 2HG LYS 13 -6.073 2.943 -5.366
104 HG3 LYS 13 1HG LYS 13 -4.638 1.943 -5.555
105 HD2 LYS 13 2HD LYS 13 -5.122 1.603 -7.860
106 HD3 LYS 13 1HD LYS 13 -6.650 2.499 -7.747
107 HE2 LYS 13 2HE LYS 13 -4.946 3.929 -8.719
108 HE3 LYS 13 1HE LYS 13 -5.321 4.510 -7.100
109 HZ1 LYS 13 3HZ LYS 13 -2.898 2.979 -7.931
110 HZ2 LYS 13 1HZ LYS 13 -3.270 3.306 -6.323
111 HZ3 LYS 13 2HZ LYS 13 -2.956 4.527 -7.455
112 HA PRO 14 HA PRO 14 -1.873 -1.505 -6.356
113 HB2 PRO 14 2HB PRO 14 -0.942 0.665 -7.928
114 HB3 PRO 14 1HB PRO 14 -1.087 -1.015 -8.467
115 HG2 PRO 14 2HG PRO 14 -2.958 1.236 -8.905
116 HG3 PRO 14 1HG PRO 14 -2.593 -0.156 -9.944
117 HD2 PRO 14 2HD PRO 14 -4.884 -0.097 -8.625
118 HD3 PRO 14 1HD PRO 14 -3.955 -1.588 -8.759
119 H CYS 15 H CYS 15 -0.256 -0.458 -4.913
120 HA CYS 15 HA CYS 15 -1.337 1.119 -2.988
121 HB2 CYS 15 2HB CYS 15 0.973 1.380 -2.150
122 HB3 CYS 15 1HB CYS 15 0.596 -0.285 -2.572
123 H PHE 16 H PHE 16 -0.522 3.094 -2.305
124 HA PHE 16 HA PHE 16 -1.109 4.921 -4.475
125 HB2 PHE 16 2HB PHE 16 -1.181 5.456 -1.510
126 HB3 PHE 16 1HB PHE 16 -1.608 6.632 -2.747
127 HD1 PHE 16 1HD PHE 16 -3.586 6.252 -4.181
128 HD2 PHE 16 2HD PHE 16 -2.690 3.722 -0.877
129 HE1 PHE 16 1HE PHE 16 -5.888 5.387 -4.223
130 HE2 PHE 16 2HE PHE 16 -4.990 2.852 -0.915
131 HZ PHE 16 HZ PHE 16 -6.593 3.683 -2.589
132 H VAL 17 H VAL 17 1.106 4.346 -5.103
133 HA VAL 17 HA VAL 17 2.673 6.759 -4.621
134 HB VAL 17 HB VAL 17 4.649 5.448 -5.540
135 HG11 VAL 17 1HG1 VAL 17 3.407 4.318 -3.023
136 HG12 VAL 17 2HG1 VAL 17 4.433 5.751 -3.119
137 HG13 VAL 17 3HG1 VAL 17 5.102 4.160 -3.482
138 HG21 VAL 17 3HG2 VAL 17 3.433 3.717 -6.716
139 HG22 VAL 17 1HG2 VAL 17 2.766 3.123 -5.196
140 HG23 VAL 17 2HG2 VAL 17 4.488 2.975 -5.508
141 H ARG 18 H ARG 18 0.590 5.359 -6.275
142 HA ARG 18 HA ARG 18 0.029 6.924 -8.178
143 HB2 ARG 18 2HB ARG 18 0.605 5.661 -10.413
144 HB3 ARG 18 1HB ARG 18 1.761 6.740 -9.684
145 HG2 ARG 18 2HG ARG 18 2.999 4.929 -10.572
146 HG3 ARG 18 1HG ARG 18 2.984 4.696 -8.840
147 HD2 ARG 18 2HD ARG 18 1.073 3.267 -10.677
148 HD3 ARG 18 1HD ARG 18 2.688 2.650 -10.350
149 HE ARG 18 HE ARG 18 0.558 3.080 -8.413
150 HH11 ARG 18 1HH1 ARG 18 3.381 1.232 -9.497
151 HH12 ARG 18 2HH1 ARG 18 3.458 0.221 -8.123
152 HH21 ARG 18 1HH2 ARG 18 0.635 1.697 -6.565
153 HH22 ARG 18 2HH2 ARG 18 1.813 0.463 -6.403
Start of MODEL 16
1 H1 LEU 1 H LEU 1 10.091 1.787 -1.101
2 HA LEU 1 HA LEU 1 10.277 3.392 -3.548
3 HB2 LEU 1 2HB LEU 1 12.393 2.700 -1.489
4 HB3 LEU 1 1HB LEU 1 12.774 3.282 -3.087
5 HG LEU 1 HG LEU 1 11.531 5.411 -2.496
6 HD11 LEU 1 1HD1 LEU 1 11.634 4.269 0.288
7 HD12 LEU 1 2HD1 LEU 1 10.184 4.698 -0.631
8 HD13 LEU 1 3HD1 LEU 1 11.302 5.949 -0.111
9 HD21 LEU 1 3HD2 LEU 1 13.395 6.327 -1.201
10 HD22 LEU 1 1HD2 LEU 1 13.948 5.300 -2.523
11 HD23 LEU 1 2HD2 LEU 1 13.959 4.689 -0.869
12 H VAL 2 H VAL 2 9.641 1.882 -4.896
13 HA VAL 2 HA VAL 2 9.735 0.229 -6.310
14 HB VAL 2 HB VAL 2 12.552 -0.355 -5.338
15 HG11 VAL 2 1HG1 VAL 2 11.612 -2.155 -6.679
16 HG12 VAL 2 2HG1 VAL 2 12.870 -1.314 -7.599
17 HG13 VAL 2 3HG1 VAL 2 11.162 -0.998 -7.931
18 HG21 VAL 2 3HG2 VAL 2 13.322 1.060 -7.204
19 HG22 VAL 2 1HG2 VAL 2 12.370 1.977 -6.036
20 HG23 VAL 2 2HG2 VAL 2 11.648 1.478 -7.566
21 H ARG 3 H ARG 3 8.165 -0.423 -4.617
22 HA ARG 3 HA ARG 3 8.639 -3.238 -4.031
23 HB2 ARG 3 2HB ARG 3 7.457 -1.163 -2.190
24 HB3 ARG 3 1HB ARG 3 6.813 -2.790 -2.149
25 HG2 ARG 3 2HG ARG 3 8.415 -2.542 -0.385
26 HG3 ARG 3 1HG ARG 3 9.091 -3.621 -1.599
27 HD2 ARG 3 2HD ARG 3 10.331 -1.672 -2.520
28 HD3 ARG 3 1HD ARG 3 9.746 -0.721 -1.161
29 HE ARG 3 HE ARG 3 10.885 -2.366 0.281
30 HH11 ARG 3 1HH1 ARG 3 11.978 -1.995 -3.077
31 HH12 ARG 3 2HH1 ARG 3 13.601 -2.356 -2.784
32 HH21 ARG 3 1HH2 ARG 3 13.176 -2.908 0.727
33 HH22 ARG 3 2HH2 ARG 3 14.300 -2.902 -0.547
34 H GLY 4 H GLY 4 6.897 -4.539 -4.486
35 HA2 GLY 4 2HA GLY 4 4.966 -3.361 -6.281
36 HA3 GLY 4 1HA GLY 4 5.181 -5.078 -5.945
37 H CYS 5 H CYS 5 3.718 -2.119 -4.852
38 HA CYS 5 HA CYS 5 2.109 -3.696 -2.921
39 HB2 CYS 5 2HB CYS 5 3.501 -1.648 -2.136
40 HB3 CYS 5 1HB CYS 5 2.327 -0.724 -2.951
41 H TRP 6 H TRP 6 0.365 -4.204 -3.465
42 HA TRP 6 HA TRP 6 -1.241 -2.298 -4.807
43 HB2 TRP 6 2HB TRP 6 -1.219 -3.432 -6.747
44 HB3 TRP 6 1HB TRP 6 -0.132 -4.605 -6.043
45 HD1 TRP 6 HD TRP 6 -1.200 -6.854 -5.172
46 HE1 TRP 6 1HE TRP 6 -3.416 -8.078 -5.882
47 HE3 TRP 6 3HE TRP 6 -3.536 -2.972 -7.387
48 HZ2 TRP 6 2HZ TRP 6 -5.825 -7.388 -7.215
49 HZ3 TRP 6 3HZ TRP 6 -5.736 -3.245 -8.345
50 HH2 TRP 6 HH TRP 6 -6.889 -5.437 -8.283
51 H THR 7 H THR 7 -3.162 -2.082 -3.821
52 HA THR 7 HA THR 7 -3.539 -3.995 -1.763
53 HB THR 7 HB THR 7 -3.351 -1.954 -0.707
54 HG1 THR 7 1HG THR 7 -6.176 -2.166 -0.833
55 HG21 THR 7 3HG2 THR 7 -3.541 -0.447 -2.519
56 HG22 THR 7 1HG2 THR 7 -4.696 0.068 -1.283
57 HG23 THR 7 2HG2 THR 7 -5.257 -0.821 -2.723
58 H LYS 8 H LYS 8 -4.433 -5.440 -2.400
59 HA LYS 8 HA LYS 8 -6.805 -5.538 -3.967
60 HB2 LYS 8 2HB LYS 8 -6.601 -8.056 -2.917
61 HB3 LYS 8 1HB LYS 8 -5.765 -7.531 -4.366
62 HG2 LYS 8 2HG LYS 8 -4.196 -8.713 -2.976
63 HG3 LYS 8 1HG LYS 8 -3.752 -7.017 -2.963
64 HD2 LYS 8 2HD LYS 8 -5.020 -6.851 -0.763
65 HD3 LYS 8 1HD LYS 8 -5.109 -8.611 -0.788
66 HE2 LYS 8 2HE LYS 8 -3.233 -7.993 0.566
67 HE3 LYS 8 1HE LYS 8 -2.611 -8.659 -0.943
68 HZ1 LYS 8 3HZ LYS 8 -2.803 -5.772 -0.235
69 HZ2 LYS 8 1HZ LYS 8 -2.243 -6.327 -1.730
70 HZ3 LYS 8 2HZ LYS 8 -1.392 -6.674 -0.326
71 H SER 9 H SER 9 -8.518 -4.746 -3.142
72 HA SER 9 HA SER 9 -9.637 -5.614 -0.674
73 HB2 SER 9 2HB SER 9 -9.786 -3.121 0.042
74 HB3 SER 9 1HB SER 9 -8.233 -3.922 0.268
75 HG SER 9 HG SER 9 -8.897 -2.234 -1.970
76 H TYR 10 H TYR 10 -11.562 -3.343 -0.680
77 HA TYR 10 HA TYR 10 -12.452 -3.421 -3.377
78 HB2 TYR 10 2HB TYR 10 -14.709 -3.223 -2.247
79 HB3 TYR 10 1HB TYR 10 -14.028 -4.857 -2.340
80 HD1 TYR 10 1HD TYR 10 -12.984 -5.728 -0.120
81 HD2 TYR 10 2HD TYR 10 -15.444 -2.256 -0.288
82 HE1 TYR 10 1HE TYR 10 -13.399 -5.908 2.296
83 HE2 TYR 10 2HE TYR 10 -15.855 -2.426 2.129
84 HH TYR 10 HH TYR 10 -14.064 -4.446 4.179
85 HA PRO 11 HA PRO 11 -12.579 -2.271 -4.818
86 HB2 PRO 11 2HB PRO 11 -11.170 -0.014 -5.899
87 HB3 PRO 11 1HB PRO 11 -12.776 -0.686 -6.288
88 HG2 PRO 11 2HG PRO 11 -12.442 1.751 -5.074
89 HG3 PRO 11 1HG PRO 11 -13.881 0.730 -4.872
90 HD2 PRO 11 2HD PRO 11 -11.515 0.999 -3.057
91 HD3 PRO 11 1HD PRO 11 -13.245 0.926 -2.652
92 HA PRO 12 HA PRO 12 -8.254 -3.372 -4.571
93 HB2 PRO 12 2HB PRO 12 -8.171 -5.001 -6.735
94 HB3 PRO 12 1HB PRO 12 -9.017 -5.472 -5.248
95 HG2 PRO 12 2HG PRO 12 -10.145 -4.596 -7.825
96 HG3 PRO 12 1HG PRO 12 -10.833 -5.664 -6.588
97 HD2 PRO 12 2HD PRO 12 -11.498 -2.924 -6.937
98 HD3 PRO 12 1HD PRO 12 -11.933 -3.911 -5.591
99 H LYS 13 H LYS 13 -6.771 -1.861 -5.061
100 HA LYS 13 HA LYS 13 -6.227 -1.213 -7.824
101 HB2 LYS 13 2HB LYS 13 -8.089 0.282 -7.007
102 HB3 LYS 13 1HB LYS 13 -7.018 0.871 -5.763
103 HG2 LYS 13 2HG LYS 13 -6.457 1.211 -8.711
104 HG3 LYS 13 1HG LYS 13 -7.432 2.335 -7.772
105 HD2 LYS 13 2HD LYS 13 -4.635 1.551 -7.104
106 HD3 LYS 13 1HD LYS 13 -5.026 2.999 -8.045
107 HE2 LYS 13 2HE LYS 13 -6.343 3.863 -6.144
108 HE3 LYS 13 1HE LYS 13 -5.949 2.425 -5.208
109 HZ1 LYS 13 3HZ LYS 13 -4.529 4.224 -4.590
110 HZ2 LYS 13 1HZ LYS 13 -4.003 4.422 -6.202
111 HZ3 LYS 13 2HZ LYS 13 -3.649 2.993 -5.362
112 HA PRO 14 HA PRO 14 -2.045 -1.509 -6.225
113 HB2 PRO 14 2HB PRO 14 -0.887 0.701 -7.549
114 HB3 PRO 14 1HB PRO 14 -0.958 -0.963 -8.147
115 HG2 PRO 14 2HG PRO 14 -2.749 1.309 -8.783
116 HG3 PRO 14 1HG PRO 14 -2.197 -0.024 -9.816
117 HD2 PRO 14 2HD PRO 14 -4.668 -0.012 -8.861
118 HD3 PRO 14 1HD PRO 14 -3.740 -1.524 -8.946
119 H CYS 15 H CYS 15 -0.442 -0.415 -4.588
120 HA CYS 15 HA CYS 15 -1.853 1.194 -2.832
121 HB2 CYS 15 2HB CYS 15 0.794 0.141 -3.255
122 HB3 CYS 15 1HB CYS 15 0.611 1.094 -1.800
123 H PHE 16 H PHE 16 -0.617 3.014 -1.930
124 HA PHE 16 HA PHE 16 -0.356 5.043 -4.012
125 HB2 PHE 16 2HB PHE 16 -0.458 5.352 -1.002
126 HB3 PHE 16 1HB PHE 16 -0.438 6.681 -2.153
127 HD1 PHE 16 1HD PHE 16 -2.382 7.073 -3.620
128 HD2 PHE 16 2HD PHE 16 -2.454 4.121 -0.555
129 HE1 PHE 16 1HE PHE 16 -4.838 6.990 -3.761
130 HE2 PHE 16 2HE PHE 16 -4.907 4.032 -0.691
131 HZ PHE 16 HZ PHE 16 -6.102 5.467 -2.296
132 H VAL 17 H VAL 17 1.627 3.236 -1.885
133 HA VAL 17 HA VAL 17 3.895 4.828 -2.697
134 HB VAL 17 HB VAL 17 3.492 5.070 -0.265
135 HG11 VAL 17 1HG1 VAL 17 2.321 3.021 0.214
136 HG12 VAL 17 2HG1 VAL 17 3.729 3.167 1.269
137 HG13 VAL 17 3HG1 VAL 17 3.775 2.079 -0.117
138 HG21 VAL 17 3HG2 VAL 17 5.924 3.394 -0.891
139 HG22 VAL 17 1HG2 VAL 17 5.716 4.384 0.555
140 HG23 VAL 17 2HG2 VAL 17 5.796 5.146 -1.034
141 H ARG 18 H ARG 18 5.514 3.710 -3.568
142 HA ARG 18 HA ARG 18 5.394 0.799 -3.598
143 HB2 ARG 18 2HB ARG 18 5.944 2.621 -5.970
144 HB3 ARG 18 1HB ARG 18 6.426 0.942 -5.945
145 HG2 ARG 18 2HG ARG 18 4.431 1.092 -7.232
146 HG3 ARG 18 1HG ARG 18 3.994 0.339 -5.704
147 HD2 ARG 18 2HD ARG 18 2.327 1.986 -6.424
148 HD3 ARG 18 1HD ARG 18 3.093 2.467 -4.910
149 HE ARG 18 HE ARG 18 4.560 3.639 -6.881
150 HH11 ARG 18 1HH1 ARG 18 1.148 3.760 -5.947
151 HH12 ARG 18 2HH1 ARG 18 0.933 5.401 -6.352
152 HH21 ARG 18 1HH2 ARG 18 4.264 5.922 -7.467
153 HH22 ARG 18 2HH2 ARG 18 2.751 6.663 -7.245
Start of MODEL 17
1 H1 LEU 1 H LEU 1 9.093 -1.700 -12.300
2 HA LEU 1 HA LEU 1 11.194 -2.312 -11.246
3 HB2 LEU 1 2HB LEU 1 9.622 -0.694 -10.116
4 HB3 LEU 1 1HB LEU 1 8.914 -2.036 -9.251
5 HG LEU 1 HG LEU 1 11.074 -2.390 -8.081
6 HD11 LEU 1 1HD1 LEU 1 12.801 -0.661 -8.195
7 HD12 LEU 1 2HD1 LEU 1 11.920 0.131 -9.502
8 HD13 LEU 1 3HD1 LEU 1 12.590 -1.484 -9.739
9 HD21 LEU 1 3HD2 LEU 1 9.330 -1.049 -7.046
10 HD22 LEU 1 1HD2 LEU 1 9.931 0.394 -7.864
11 HD23 LEU 1 2HD2 LEU 1 10.923 -0.408 -6.645
12 H VAL 2 H VAL 2 11.963 -3.641 -9.143
13 HA VAL 2 HA VAL 2 11.293 -6.391 -9.712
14 HB VAL 2 HB VAL 2 13.131 -6.936 -8.132
15 HG11 VAL 2 1HG1 VAL 2 14.973 -5.997 -9.459
16 HG12 VAL 2 2HG1 VAL 2 13.847 -4.853 -10.191
17 HG13 VAL 2 3HG1 VAL 2 13.655 -6.581 -10.477
18 HG21 VAL 2 3HG2 VAL 2 13.395 -3.935 -7.831
19 HG22 VAL 2 1HG2 VAL 2 14.527 -5.131 -7.199
20 HG23 VAL 2 2HG2 VAL 2 12.879 -5.059 -6.575
21 H ARG 3 H ARG 3 9.582 -4.342 -8.120
22 HA ARG 3 HA ARG 3 8.349 -6.200 -6.429
23 HB2 ARG 3 2HB ARG 3 10.449 -5.294 -5.139
24 HB3 ARG 3 1HB ARG 3 9.532 -3.805 -5.022
25 HG2 ARG 3 2HG ARG 3 9.362 -5.199 -3.002
26 HG3 ARG 3 1HG ARG 3 7.795 -4.924 -3.766
27 HD2 ARG 3 2HD ARG 3 8.274 -7.296 -2.973
28 HD3 ARG 3 1HD ARG 3 7.713 -7.130 -4.631
29 HE ARG 3 HE ARG 3 10.167 -7.249 -5.227
30 HH11 ARG 3 1HH1 ARG 3 8.899 -8.934 -2.380
31 HH12 ARG 3 2HH1 ARG 3 10.032 -10.198 -2.433
32 HH21 ARG 3 1HH2 ARG 3 11.703 -8.955 -5.333
33 HH22 ARG 3 2HH2 ARG 3 11.710 -10.215 -4.191
34 H GLY 4 H GLY 4 6.393 -5.039 -5.458
35 HA2 GLY 4 2HA GLY 4 5.811 -2.405 -6.241
36 HA3 GLY 4 1HA GLY 4 4.992 -3.599 -7.255
37 H CYS 5 H CYS 5 3.277 -2.185 -5.848
38 HA CYS 5 HA CYS 5 2.263 -4.086 -3.886
39 HB2 CYS 5 2HB CYS 5 3.713 -2.459 -2.676
40 HB3 CYS 5 1HB CYS 5 2.704 -1.178 -3.153
41 H TRP 6 H TRP 6 0.240 -4.086 -3.649
42 HA TRP 6 HA TRP 6 -1.356 -2.190 -4.952
43 HB2 TRP 6 2HB TRP 6 -1.332 -3.206 -6.948
44 HB3 TRP 6 1HB TRP 6 -0.427 -4.553 -6.307
45 HD1 TRP 6 HD TRP 6 -1.799 -6.675 -5.587
46 HE1 TRP 6 1HE TRP 6 -4.154 -7.557 -6.438
47 HE3 TRP 6 3HE TRP 6 -3.537 -2.413 -7.620
48 HZ2 TRP 6 2HZ TRP 6 -6.381 -6.487 -7.784
49 HZ3 TRP 6 3HZ TRP 6 -5.715 -2.328 -8.637
50 HH2 TRP 6 HH TRP 6 -7.149 -4.351 -8.751
51 H THR 7 H THR 7 -3.319 -1.991 -3.927
52 HA THR 7 HA THR 7 -3.457 -3.452 -1.492
53 HB THR 7 HB THR 7 -5.030 -1.804 -0.743
54 HG1 THR 7 1HG THR 7 -6.544 -1.499 -2.259
55 HG21 THR 7 3HG2 THR 7 -2.773 -0.861 -0.972
56 HG22 THR 7 1HG2 THR 7 -3.983 0.376 -1.289
57 HG23 THR 7 2HG2 THR 7 -3.112 -0.365 -2.623
58 H LYS 8 H LYS 8 -4.843 -4.954 -1.024
59 HA LYS 8 HA LYS 8 -6.611 -5.843 -3.159
60 HB2 LYS 8 2HB LYS 8 -5.489 -7.339 -0.773
61 HB3 LYS 8 1HB LYS 8 -6.422 -8.043 -2.097
62 HG2 LYS 8 2HG LYS 8 -4.699 -7.586 -3.673
63 HG3 LYS 8 1HG LYS 8 -3.816 -6.610 -2.508
64 HD2 LYS 8 2HD LYS 8 -3.483 -8.664 -1.145
65 HD3 LYS 8 1HD LYS 8 -4.237 -9.591 -2.450
66 HE2 LYS 8 2HE LYS 8 -1.788 -9.631 -2.622
67 HE3 LYS 8 1HE LYS 8 -2.525 -8.830 -4.007
68 HZ1 LYS 8 3HZ LYS 8 -0.599 -7.598 -3.202
69 HZ2 LYS 8 1HZ LYS 8 -1.287 -7.451 -1.670
70 HZ3 LYS 8 2HZ LYS 8 -1.984 -6.663 -2.981
71 H SER 9 H SER 9 -8.465 -4.957 -2.837
72 HA SER 9 HA SER 9 -9.867 -5.141 -0.359
73 HB2 SER 9 2HB SER 9 -10.195 -2.579 -0.458
74 HB3 SER 9 1HB SER 9 -8.639 -3.152 0.144
75 HG SER 9 HG SER 9 -9.254 -1.927 -2.343
76 H TYR 10 H TYR 10 -11.914 -3.381 -1.055
77 HA TYR 10 HA TYR 10 -12.471 -3.888 -3.836
78 HB2 TYR 10 2HB TYR 10 -13.621 -5.684 -2.550
79 HB3 TYR 10 1HB TYR 10 -14.436 -4.459 -1.586
80 HD1 TYR 10 2HD TYR 10 -14.070 -5.702 -5.071
81 HD2 TYR 10 1HD TYR 10 -16.498 -3.574 -2.301
82 HE1 TYR 10 2HE TYR 10 -15.890 -5.639 -6.723
83 HE2 TYR 10 1HE TYR 10 -18.323 -3.503 -3.945
84 HH TYR 10 HH TYR 10 -18.636 -3.657 -6.360
85 HA PRO 11 HA PRO 11 -12.654 -2.806 -5.335
86 HB2 PRO 11 2HB PRO 11 -11.591 -0.281 -6.213
87 HB3 PRO 11 1HB PRO 11 -12.887 -1.300 -6.889
88 HG2 PRO 11 2HG PRO 11 -13.382 1.133 -5.731
89 HG3 PRO 11 1HG PRO 11 -14.554 -0.202 -5.776
90 HD2 PRO 11 2HD PRO 11 -12.747 0.622 -3.538
91 HD3 PRO 11 1HD PRO 11 -14.451 0.113 -3.489
92 HA PRO 12 HA PRO 12 -8.323 -2.901 -4.210
93 HB2 PRO 12 2HB PRO 12 -7.489 -4.552 -6.198
94 HB3 PRO 12 1HB PRO 12 -8.467 -5.145 -4.841
95 HG2 PRO 12 2HG PRO 12 -9.260 -4.689 -7.631
96 HG3 PRO 12 1HG PRO 12 -9.942 -5.791 -6.423
97 HD2 PRO 12 2HD PRO 12 -11.013 -3.261 -7.179
98 HD3 PRO 12 1HD PRO 12 -11.562 -4.261 -5.878
99 H LYS 13 H LYS 13 -6.451 -1.774 -4.799
100 HA LYS 13 HA LYS 13 -6.238 -0.621 -7.439
101 HB2 LYS 13 2HB LYS 13 -7.888 0.770 -6.138
102 HB3 LYS 13 1HB LYS 13 -6.639 1.024 -4.946
103 HG2 LYS 13 2HG LYS 13 -6.326 1.966 -7.797
104 HG3 LYS 13 1HG LYS 13 -7.205 2.888 -6.584
105 HD2 LYS 13 2HD LYS 13 -4.400 1.942 -6.232
106 HD3 LYS 13 1HD LYS 13 -4.779 3.536 -6.900
107 HE2 LYS 13 2HE LYS 13 -5.982 4.124 -4.838
108 HE3 LYS 13 1HE LYS 13 -5.639 2.537 -4.162
109 HZ1 LYS 13 3HZ LYS 13 -4.212 4.320 -3.373
110 HZ2 LYS 13 1HZ LYS 13 -3.545 4.520 -4.894
111 HZ3 LYS 13 2HZ LYS 13 -3.320 3.065 -4.086
112 HA PRO 14 HA PRO 14 -1.949 -1.303 -6.402
113 HB2 PRO 14 2HB PRO 14 -0.753 0.988 -7.430
114 HB3 PRO 14 1HB PRO 14 -1.087 -0.491 -8.345
115 HG2 PRO 14 2HG PRO 14 -2.685 2.012 -8.218
116 HG3 PRO 14 1HG PRO 14 -2.366 0.943 -9.602
117 HD2 PRO 14 2HD PRO 14 -4.710 0.862 -8.379
118 HD3 PRO 14 1HD PRO 14 -3.925 -0.636 -8.920
119 H CYS 15 H CYS 15 -0.148 -0.563 -4.796
120 HA CYS 15 HA CYS 15 -1.193 1.070 -2.687
121 HB2 CYS 15 2HB CYS 15 1.212 -0.295 -3.428
122 HB3 CYS 15 1HB CYS 15 1.269 0.559 -1.915
123 H PHE 16 H PHE 16 -0.195 1.844 -5.321
124 HA PHE 16 HA PHE 16 1.682 4.034 -4.735
125 HB2 PHE 16 2HB PHE 16 0.528 3.167 -7.408
126 HB3 PHE 16 1HB PHE 16 1.692 4.469 -7.202
127 HD1 PHE 16 1HD PHE 16 3.999 3.947 -6.449
128 HD2 PHE 16 2HD PHE 16 1.220 0.876 -7.435
129 HE1 PHE 16 1HE PHE 16 5.847 2.334 -6.642
130 HE2 PHE 16 2HE PHE 16 3.058 -0.737 -7.627
131 HZ PHE 16 HZ PHE 16 5.377 -0.011 -7.231
132 H VAL 17 H VAL 17 0.959 5.944 -4.188
133 HA VAL 17 HA VAL 17 -0.318 7.754 -3.855
134 HB VAL 17 HB VAL 17 -2.197 6.626 -6.004
135 HG11 VAL 17 1HG1 VAL 17 -3.137 8.879 -6.192
136 HG12 VAL 17 2HG1 VAL 17 -2.105 9.426 -4.871
137 HG13 VAL 17 3HG1 VAL 17 -3.364 8.230 -4.566
138 HG21 VAL 17 3HG2 VAL 17 0.002 7.115 -6.918
139 HG22 VAL 17 1HG2 VAL 17 -0.060 8.745 -6.245
140 HG23 VAL 17 2HG2 VAL 17 -1.184 8.273 -7.522
141 H ARG 18 H ARG 18 -2.217 8.269 -2.577
142 HA ARG 18 HA ARG 18 -2.991 6.050 -0.962
143 HB2 ARG 18 2HB ARG 18 -2.601 8.320 0.017
144 HB3 ARG 18 1HB ARG 18 -3.969 8.935 -0.889
145 HG2 ARG 18 2HG ARG 18 -4.355 6.694 1.068
146 HG3 ARG 18 1HG ARG 18 -4.226 8.353 1.638
147 HD2 ARG 18 2HD ARG 18 -6.201 7.485 -0.471
148 HD3 ARG 18 1HD ARG 18 -6.571 7.474 1.250
149 HE ARG 18 HE ARG 18 -6.181 9.853 1.265
150 HH11 ARG 18 1HH1 ARG 18 -6.487 8.531 -2.001
151 HH12 ARG 18 2HH1 ARG 18 -7.364 9.812 -2.650
152 HH21 ARG 18 1HH2 ARG 18 -7.371 11.737 0.375
153 HH22 ARG 18 2HH2 ARG 18 -7.864 11.714 -1.257
Start of MODEL 18
1 H1 LEU 1 H LEU 1 10.725 3.977 1.398
2 HA LEU 1 HA LEU 1 11.583 4.253 -0.855
3 HB2 LEU 1 2HB LEU 1 13.200 2.351 -0.952
4 HB3 LEU 1 1HB LEU 1 13.129 3.096 0.618
5 HG LEU 1 HG LEU 1 11.615 0.543 0.068
6 HD11 LEU 1 1HD1 LEU 1 13.600 -0.648 0.923
7 HD12 LEU 1 2HD1 LEU 1 14.513 0.865 0.873
8 HD13 LEU 1 3HD1 LEU 1 13.915 0.146 -0.617
9 HD21 LEU 1 3HD2 LEU 1 12.856 1.739 2.555
10 HD22 LEU 1 1HD2 LEU 1 11.941 0.235 2.466
11 HD23 LEU 1 2HD2 LEU 1 11.141 1.779 2.150
12 H VAL 2 H VAL 2 12.320 2.217 -2.655
13 HA VAL 2 HA VAL 2 9.760 2.049 -3.948
14 HB VAL 2 HB VAL 2 12.494 1.315 -5.043
15 HG11 VAL 2 1HG1 VAL 2 9.864 1.781 -6.458
16 HG12 VAL 2 2HG1 VAL 2 10.718 0.246 -6.300
17 HG13 VAL 2 3HG1 VAL 2 11.421 1.554 -7.250
18 HG21 VAL 2 3HG2 VAL 2 12.436 3.490 -6.186
19 HG22 VAL 2 1HG2 VAL 2 12.425 3.670 -4.431
20 HG23 VAL 2 2HG2 VAL 2 10.935 3.890 -5.351
21 H ARG 3 H ARG 3 8.723 0.448 -2.810
22 HA ARG 3 HA ARG 3 9.536 -2.260 -3.548
23 HB2 ARG 3 2HB ARG 3 8.411 -1.386 -0.877
24 HB3 ARG 3 1HB ARG 3 8.560 -3.050 -1.398
25 HG2 ARG 3 2HG ARG 3 10.973 -2.861 -1.403
26 HG3 ARG 3 1HG ARG 3 10.861 -1.149 -0.994
27 HD2 ARG 3 2HD ARG 3 9.853 -3.431 0.706
28 HD3 ARG 3 1HD ARG 3 11.337 -2.532 0.988
29 HE ARG 3 HE ARG 3 9.090 -0.794 0.821
30 HH11 ARG 3 1HH1 ARG 3 10.547 -3.104 3.073
31 HH12 ARG 3 2HH1 ARG 3 10.100 -2.253 4.476
32 HH21 ARG 3 1HH2 ARG 3 8.556 0.405 2.652
33 HH22 ARG 3 2HH2 ARG 3 8.885 -0.145 4.242
34 H GLY 4 H GLY 4 7.963 -3.100 -4.748
35 HA2 GLY 4 2HA GLY 4 5.622 -1.748 -5.324
36 HA3 GLY 4 1HA GLY 4 6.022 -3.392 -5.794
37 H CYS 5 H CYS 5 3.643 -1.992 -4.795
38 HA CYS 5 HA CYS 5 2.638 -4.134 -3.160
39 HB2 CYS 5 2HB CYS 5 1.569 -2.354 -1.698
40 HB3 CYS 5 1HB CYS 5 3.261 -2.737 -1.347
41 H TRP 6 H TRP 6 0.335 -4.202 -3.211
42 HA TRP 6 HA TRP 6 -1.043 -2.156 -4.591
43 HB2 TRP 6 2HB TRP 6 -1.247 -3.200 -6.590
44 HB3 TRP 6 1HB TRP 6 -0.124 -4.413 -6.033
45 HD1 TRP 6 HD TRP 6 -1.196 -6.741 -5.161
46 HE1 TRP 6 1HE TRP 6 -3.443 -7.878 -5.786
47 HE3 TRP 6 3HE TRP 6 -3.577 -2.723 -7.115
48 HZ2 TRP 6 2HZ TRP 6 -5.917 -7.107 -6.972
49 HZ3 TRP 6 3HZ TRP 6 -5.807 -2.906 -7.947
50 HH2 TRP 6 HH TRP 6 -7.009 -5.105 -7.907
51 H THR 7 H THR 7 -3.284 -2.128 -3.927
52 HA THR 7 HA THR 7 -3.531 -3.629 -1.476
53 HB THR 7 HB THR 7 -5.120 -1.917 -0.745
54 HG1 THR 7 1HG THR 7 -6.139 -1.395 -2.662
55 HG21 THR 7 3HG2 THR 7 -2.809 -0.609 -2.132
56 HG22 THR 7 1HG2 THR 7 -2.704 -1.434 -0.569
57 HG23 THR 7 2HG2 THR 7 -3.692 0.036 -0.753
58 H LYS 8 H LYS 8 -4.376 -5.504 -1.969
59 HA LYS 8 HA LYS 8 -6.634 -5.699 -3.758
60 HB2 LYS 8 2HB LYS 8 -4.963 -7.542 -3.602
61 HB3 LYS 8 1HB LYS 8 -5.417 -7.828 -1.940
62 HG2 LYS 8 2HG LYS 8 -7.343 -8.146 -4.254
63 HG3 LYS 8 1HG LYS 8 -6.321 -9.460 -3.695
64 HD2 LYS 8 2HD LYS 8 -8.400 -8.010 -2.029
65 HD3 LYS 8 1HD LYS 8 -8.621 -9.588 -2.784
66 HE2 LYS 8 2HE LYS 8 -6.829 -10.512 -1.404
67 HE3 LYS 8 1HE LYS 8 -6.531 -8.928 -0.699
68 HZ1 LYS 8 3HZ LYS 8 -8.721 -8.956 0.262
69 HZ2 LYS 8 1HZ LYS 8 -7.856 -10.322 0.752
70 HZ3 LYS 8 2HZ LYS 8 -9.058 -10.465 -0.432
71 H SER 9 H SER 9 -8.370 -4.773 -3.098
72 HA SER 9 HA SER 9 -9.666 -5.502 -0.618
73 HB2 SER 9 2HB SER 9 -9.096 -2.622 -1.449
74 HB3 SER 9 1HB SER 9 -10.000 -3.130 -0.024
75 HG SER 9 HG SER 9 -7.666 -4.362 0.032
76 H TYR 10 H TYR 10 -11.766 -3.511 -1.052
77 HA TYR 10 HA TYR 10 -12.444 -3.755 -3.824
78 HB2 TYR 10 2HB TYR 10 -13.375 -5.827 -2.798
79 HB3 TYR 10 1HB TYR 10 -14.274 -4.842 -1.654
80 HD1 TYR 10 2HD TYR 10 -13.834 -5.287 -5.338
81 HD2 TYR 10 1HD TYR 10 -16.486 -4.302 -2.155
82 HE1 TYR 10 2HE TYR 10 -15.694 -5.169 -6.934
83 HE2 TYR 10 1HE TYR 10 -18.355 -4.183 -3.747
84 HH TYR 10 HH TYR 10 -18.728 -3.837 -6.138
85 HA PRO 11 HA PRO 11 -12.911 -2.515 -5.178
86 HB2 PRO 11 2HB PRO 11 -12.049 0.190 -5.697
87 HB3 PRO 11 1HB PRO 11 -13.285 -0.804 -6.503
88 HG2 PRO 11 2HG PRO 11 -13.945 1.359 -4.973
89 HG3 PRO 11 1HG PRO 11 -14.994 -0.056 -5.181
90 HD2 PRO 11 2HD PRO 11 -13.189 0.604 -2.891
91 HD3 PRO 11 1HD PRO 11 -14.829 -0.080 -2.879
92 HA PRO 12 HA PRO 12 -8.608 -2.674 -4.065
93 HB2 PRO 12 2HB PRO 12 -7.735 -4.041 -6.248
94 HB3 PRO 12 1HB PRO 12 -8.651 -4.807 -4.941
95 HG2 PRO 12 2HG PRO 12 -9.517 -4.190 -7.657
96 HG3 PRO 12 1HG PRO 12 -10.197 -5.319 -6.475
97 HD2 PRO 12 2HD PRO 12 -11.181 -2.707 -7.127
98 HD3 PRO 12 1HD PRO 12 -11.826 -3.804 -5.946
99 H LYS 13 H LYS 13 -6.460 -1.871 -4.725
100 HA LYS 13 HA LYS 13 -6.429 -0.195 -7.080
101 HB2 LYS 13 2HB LYS 13 -6.699 0.776 -4.362
102 HB3 LYS 13 1HB LYS 13 -5.264 1.347 -5.210
103 HG2 LYS 13 2HG LYS 13 -8.110 1.647 -6.126
104 HG3 LYS 13 1HG LYS 13 -7.064 2.923 -5.488
105 HD2 LYS 13 2HD LYS 13 -5.453 2.121 -7.408
106 HD3 LYS 13 1HD LYS 13 -6.920 1.439 -8.041
107 HE2 LYS 13 2HE LYS 13 -6.722 4.354 -7.358
108 HE3 LYS 13 1HE LYS 13 -6.615 3.679 -8.985
109 HZ1 LYS 13 3HZ LYS 13 -8.932 3.386 -7.158
110 HZ2 LYS 13 1HZ LYS 13 -8.838 2.789 -8.735
111 HZ3 LYS 13 2HZ LYS 13 -8.864 4.462 -8.466
112 HA PRO 14 HA PRO 14 -2.132 -1.360 -6.702
113 HB2 PRO 14 2HB PRO 14 -1.086 0.745 -8.191
114 HB3 PRO 14 1HB PRO 14 -1.561 -0.820 -8.862
115 HG2 PRO 14 2HG PRO 14 -3.123 1.702 -8.823
116 HG3 PRO 14 1HG PRO 14 -3.017 0.452 -10.084
117 HD2 PRO 14 2HD PRO 14 -5.151 0.565 -8.512
118 HD3 PRO 14 1HD PRO 14 -4.449 -0.984 -8.983
119 H CYS 15 H CYS 15 -0.458 -0.607 -5.360
120 HA CYS 15 HA CYS 15 -1.302 1.418 -3.539
121 HB2 CYS 15 2HB CYS 15 -0.712 -0.576 -2.474
122 HB3 CYS 15 1HB CYS 15 0.618 -0.873 -3.564
123 H PHE 16 H PHE 16 0.338 2.778 -2.775
124 HA PHE 16 HA PHE 16 1.439 4.198 -5.081
125 HB2 PHE 16 2HB PHE 16 1.099 5.171 -2.247
126 HB3 PHE 16 1HB PHE 16 1.624 6.157 -3.605
127 HD1 PHE 16 1HD PHE 16 0.015 6.434 -5.572
128 HD2 PHE 16 2HD PHE 16 -1.180 4.878 -1.790
129 HE1 PHE 16 1HE PHE 16 -2.338 6.939 -6.107
130 HE2 PHE 16 2HE PHE 16 -3.531 5.384 -2.322
131 HZ PHE 16 HZ PHE 16 -4.110 6.411 -4.481
132 H VAL 17 H VAL 17 2.746 1.962 -3.249
133 HA VAL 17 HA VAL 17 4.835 1.188 -3.034
134 HB VAL 17 HB VAL 17 5.703 3.721 -4.480
135 HG11 VAL 17 1HG1 VAL 17 7.573 2.850 -3.182
136 HG12 VAL 17 2HG1 VAL 17 7.826 2.599 -4.909
137 HG13 VAL 17 3HG1 VAL 17 7.326 1.251 -3.889
138 HG21 VAL 17 3HG2 VAL 17 5.364 0.891 -5.485
139 HG22 VAL 17 1HG2 VAL 17 5.976 2.254 -6.420
140 HG23 VAL 17 2HG2 VAL 17 4.310 2.259 -5.843
141 H ARG 18 H ARG 18 6.061 0.983 -1.301
142 HA ARG 18 HA ARG 18 6.968 3.194 0.186
143 HB2 ARG 18 2HB ARG 18 5.905 2.316 2.397
144 HB3 ARG 18 1HB ARG 18 4.978 3.354 1.351
145 HG2 ARG 18 2HG ARG 18 3.497 1.703 2.182
146 HG3 ARG 18 1HG ARG 18 3.793 1.299 0.505
147 HD2 ARG 18 2HD ARG 18 5.222 -0.056 2.810
148 HD3 ARG 18 1HD ARG 18 3.690 -0.622 2.162
149 HE ARG 18 HE ARG 18 6.041 -0.338 0.444
150 HH11 ARG 18 1HH1 ARG 18 3.750 -2.505 2.014
151 HH12 ARG 18 2HH1 ARG 18 3.982 -3.804 0.932
152 HH21 ARG 18 1HH2 ARG 18 6.305 -1.999 -1.085
153 HH22 ARG 18 2HH2 ARG 18 5.520 -3.497 -0.969
Start of MODEL 19
1 H1 LEU 1 H LEU 1 11.998 4.150 -9.704
2 HA LEU 1 HA LEU 1 14.064 2.123 -9.584
3 HB2 LEU 1 2HB LEU 1 13.677 1.943 -7.195
4 HB3 LEU 1 1HB LEU 1 14.188 3.574 -7.541
5 HG LEU 1 HG LEU 1 11.302 2.789 -7.023
6 HD11 LEU 1 1HD1 LEU 1 12.656 2.321 -5.064
7 HD12 LEU 1 2HD1 LEU 1 11.632 3.730 -4.788
8 HD13 LEU 1 3HD1 LEU 1 13.347 3.942 -5.136
9 HD21 LEU 1 3HD2 LEU 1 12.675 5.490 -7.039
10 HD22 LEU 1 1HD2 LEU 1 10.996 5.197 -6.588
11 HD23 LEU 1 2HD2 LEU 1 11.521 4.910 -8.241
12 H VAL 2 H VAL 2 12.837 0.167 -8.460
13 HA VAL 2 HA VAL 2 10.305 -0.023 -9.882
14 HB VAL 2 HB VAL 2 10.549 -2.483 -9.603
15 HG11 VAL 2 1HG1 VAL 2 11.371 -1.459 -11.643
16 HG12 VAL 2 2HG1 VAL 2 12.409 -2.809 -11.182
17 HG13 VAL 2 3HG1 VAL 2 12.931 -1.152 -10.884
18 HG21 VAL 2 3HG2 VAL 2 13.253 -1.818 -8.416
19 HG22 VAL 2 1HG2 VAL 2 12.688 -3.437 -8.829
20 HG23 VAL 2 2HG2 VAL 2 11.887 -2.520 -7.552
21 H ARG 3 H ARG 3 8.506 -1.036 -8.761
22 HA ARG 3 HA ARG 3 8.615 -1.438 -5.953
23 HB2 ARG 3 2HB ARG 3 8.550 1.038 -6.050
24 HB3 ARG 3 1HB ARG 3 7.112 0.957 -7.053
25 HG2 ARG 3 2HG ARG 3 5.850 -0.000 -5.235
26 HG3 ARG 3 1HG ARG 3 7.299 -0.065 -4.230
27 HD2 ARG 3 2HD ARG 3 7.471 2.372 -4.323
28 HD3 ARG 3 1HD ARG 3 6.028 2.436 -5.335
29 HE ARG 3 HE ARG 3 4.922 1.302 -3.377
30 HH11 ARG 3 1HH1 ARG 3 7.621 3.612 -2.934
31 HH12 ARG 3 2HH1 ARG 3 7.064 4.148 -1.418
32 HH21 ARG 3 1HH2 ARG 3 4.219 2.094 -1.236
33 HH22 ARG 3 2HH2 ARG 3 5.157 3.292 -0.464
34 H GLY 4 H GLY 4 7.066 -2.931 -5.508
35 HA2 GLY 4 2HA GLY 4 4.826 -3.131 -7.389
36 HA3 GLY 4 1HA GLY 4 5.769 -4.549 -6.948
37 H CYS 5 H CYS 5 3.377 -2.243 -5.893
38 HA CYS 5 HA CYS 5 2.481 -4.142 -3.951
39 HB2 CYS 5 2HB CYS 5 2.167 -2.126 -2.368
40 HB3 CYS 5 1HB CYS 5 3.728 -2.939 -2.385
41 H TRP 6 H TRP 6 0.389 -4.156 -3.603
42 HA TRP 6 HA TRP 6 -1.231 -2.168 -4.797
43 HB2 TRP 6 2HB TRP 6 -1.245 -3.195 -6.789
44 HB3 TRP 6 1HB TRP 6 -0.346 -4.547 -6.157
45 HD1 TRP 6 HD TRP 6 -1.754 -6.627 -5.361
46 HE1 TRP 6 1HE TRP 6 -4.080 -7.501 -6.208
47 HE3 TRP 6 3HE TRP 6 -3.398 -2.386 -7.507
48 HZ2 TRP 6 2HZ TRP 6 -6.303 -6.416 -7.634
49 HZ3 TRP 6 3HZ TRP 6 -5.555 -2.280 -8.545
50 HH2 TRP 6 HH TRP 6 -7.017 -4.281 -8.656
51 H THR 7 H THR 7 -3.421 -2.258 -3.937
52 HA THR 7 HA THR 7 -3.412 -3.803 -1.485
53 HB THR 7 HB THR 7 -4.997 -2.223 -0.554
54 HG1 THR 7 1HG THR 7 -6.316 -1.871 -2.402
55 HG21 THR 7 3HG2 THR 7 -2.647 -1.445 -0.707
56 HG22 THR 7 1HG2 THR 7 -3.829 -0.111 -0.736
57 HG23 THR 7 2HG2 THR 7 -3.098 -0.653 -2.235
58 H LYS 8 H LYS 8 -4.544 -5.586 -1.418
59 HA LYS 8 HA LYS 8 -6.659 -5.983 -3.342
60 HB2 LYS 8 2HB LYS 8 -5.103 -7.868 -2.467
61 HB3 LYS 8 1HB LYS 8 -6.004 -7.772 -0.966
62 HG2 LYS 8 2HG LYS 8 -7.203 -8.475 -3.661
63 HG3 LYS 8 1HG LYS 8 -6.725 -9.643 -2.436
64 HD2 LYS 8 2HD LYS 8 -8.400 -8.745 -0.904
65 HD3 LYS 8 1HD LYS 8 -8.825 -7.498 -2.074
66 HE2 LYS 8 2HE LYS 8 -9.542 -9.262 -3.643
67 HE3 LYS 8 1HE LYS 8 -9.176 -10.474 -2.414
68 HZ1 LYS 8 3HZ LYS 8 -11.526 -9.918 -2.426
69 HZ2 LYS 8 1HZ LYS 8 -11.163 -8.286 -2.153
70 HZ3 LYS 8 2HZ LYS 8 -10.813 -9.438 -0.967
71 H SER 9 H SER 9 -8.288 -4.737 -2.958
72 HA SER 9 HA SER 9 -9.567 -4.744 -0.351
73 HB2 SER 9 2HB SER 9 -9.870 -2.204 -0.797
74 HB3 SER 9 1HB SER 9 -8.279 -2.746 -0.268
75 HG SER 9 HG SER 9 -9.111 -1.801 -2.782
76 H TYR 10 H TYR 10 -11.576 -2.868 -1.208
77 HA TYR 10 HA TYR 10 -12.499 -3.738 -3.760
78 HB2 TYR 10 2HB TYR 10 -13.525 -5.393 -2.207
79 HB3 TYR 10 1HB TYR 10 -14.189 -4.077 -1.247
80 HD1 TYR 10 2HD TYR 10 -14.301 -5.607 -4.635
81 HD2 TYR 10 1HD TYR 10 -16.305 -3.176 -1.775
82 HE1 TYR 10 2HE TYR 10 -16.314 -5.615 -6.046
83 HE2 TYR 10 1HE TYR 10 -18.322 -3.177 -3.178
84 HH TYR 10 HH TYR 10 -18.937 -3.512 -5.522
85 HA PRO 11 HA PRO 11 -12.816 -2.730 -5.325
86 HB2 PRO 11 2HB PRO 11 -11.668 -0.308 -6.407
87 HB3 PRO 11 1HB PRO 11 -13.038 -1.296 -6.967
88 HG2 PRO 11 2HG PRO 11 -13.376 1.199 -5.915
89 HG3 PRO 11 1HG PRO 11 -14.597 -0.087 -5.821
90 HD2 PRO 11 2HD PRO 11 -12.645 0.796 -3.735
91 HD3 PRO 11 1HD PRO 11 -14.355 0.339 -3.564
92 HA PRO 12 HA PRO 12 -8.452 -3.245 -4.347
93 HB2 PRO 12 2HB PRO 12 -8.136 -4.536 -6.954
94 HB3 PRO 12 1HB PRO 12 -8.079 -5.284 -5.349
95 HG2 PRO 12 2HG PRO 12 -10.074 -5.740 -7.106
96 HG3 PRO 12 1HG PRO 12 -10.273 -5.821 -5.346
97 HD2 PRO 12 2HD PRO 12 -11.131 -3.651 -7.209
98 HD3 PRO 12 1HD PRO 12 -11.900 -4.245 -5.766
99 H LYS 13 H LYS 13 -6.575 -2.072 -4.814
100 HA LYS 13 HA LYS 13 -6.423 -0.524 -7.269
101 HB2 LYS 13 2HB LYS 13 -8.056 0.595 -5.722
102 HB3 LYS 13 1HB LYS 13 -6.781 0.592 -4.525
103 HG2 LYS 13 2HG LYS 13 -6.523 2.111 -7.105
104 HG3 LYS 13 1HG LYS 13 -7.377 2.783 -5.730
105 HD2 LYS 13 2HD LYS 13 -4.553 1.818 -5.698
106 HD3 LYS 13 1HD LYS 13 -4.989 3.514 -5.941
107 HE2 LYS 13 2HE LYS 13 -4.483 3.450 -3.638
108 HE3 LYS 13 1HE LYS 13 -6.228 3.262 -3.646
109 HZ1 LYS 13 3HZ LYS 13 -5.912 0.826 -3.245
110 HZ2 LYS 13 1HZ LYS 13 -5.056 1.724 -2.109
111 HZ3 LYS 13 2HZ LYS 13 -4.276 1.033 -3.431
112 HA PRO 14 HA PRO 14 -2.059 -1.299 -6.285
113 HB2 PRO 14 2HB PRO 14 -0.862 1.003 -7.210
114 HB3 PRO 14 1HB PRO 14 -1.341 -0.351 -8.245
115 HG2 PRO 14 2HG PRO 14 -2.822 2.180 -7.726
116 HG3 PRO 14 1HG PRO 14 -2.577 1.310 -9.256
117 HD2 PRO 14 2HD PRO 14 -4.888 1.104 -7.981
118 HD3 PRO 14 1HD PRO 14 -4.153 -0.322 -8.744
119 H CYS 15 H CYS 15 0.005 0.043 -5.249
120 HA CYS 15 HA CYS 15 -1.046 0.928 -2.764
121 HB2 CYS 15 2HB CYS 15 1.337 1.005 -2.057
122 HB3 CYS 15 1HB CYS 15 0.856 -0.559 -2.697
123 H PHE 16 H PHE 16 0.273 2.754 -1.849
124 HA PHE 16 HA PHE 16 -0.303 5.072 -3.529
125 HB2 PHE 16 2HB PHE 16 0.313 4.911 -0.566
126 HB3 PHE 16 1HB PHE 16 -0.104 6.383 -1.433
127 HD1 PHE 16 1HD PHE 16 -2.390 6.705 -2.292
128 HD2 PHE 16 2HD PHE 16 -1.355 3.326 0.081
129 HE1 PHE 16 1HE PHE 16 -4.776 6.274 -1.868
130 HE2 PHE 16 2HE PHE 16 -3.737 2.889 0.507
131 HZ PHE 16 HZ PHE 16 -5.452 4.363 -0.468
132 H VAL 17 H VAL 17 1.240 6.833 -3.603
133 HA VAL 17 HA VAL 17 3.910 5.799 -3.906
134 HB VAL 17 HB VAL 17 2.900 8.604 -4.490
135 HG11 VAL 17 1HG1 VAL 17 4.904 8.804 -5.901
136 HG12 VAL 17 2HG1 VAL 17 5.423 7.202 -5.382
137 HG13 VAL 17 3HG1 VAL 17 5.320 8.515 -4.211
138 HG21 VAL 17 3HG2 VAL 17 1.708 6.963 -5.849
139 HG22 VAL 17 1HG2 VAL 17 3.240 6.266 -6.373
140 HG23 VAL 17 2HG2 VAL 17 2.812 7.910 -6.847
141 H ARG 18 H ARG 18 4.453 5.427 -1.821
142 HA ARG 18 HA ARG 18 5.845 7.494 -0.523
143 HB2 ARG 18 2HB ARG 18 3.590 7.954 0.423
144 HB3 ARG 18 1HB ARG 18 3.459 6.268 0.909
145 HG2 ARG 18 2HG ARG 18 5.361 6.555 2.415
146 HG3 ARG 18 1HG ARG 18 5.483 8.248 1.935
147 HD2 ARG 18 2HD ARG 18 3.250 8.664 2.808
148 HD3 ARG 18 1HD ARG 18 3.095 6.963 3.251
149 HE ARG 18 HE ARG 18 5.375 7.808 4.440
150 HH11 ARG 18 1HH1 ARG 18 1.991 8.786 4.593
151 HH12 ARG 18 2HH1 ARG 18 2.006 9.321 6.207
152 HH21 ARG 18 1HH2 ARG 18 5.464 8.543 6.719
153 HH22 ARG 18 2HH2 ARG 18 4.075 9.175 7.462
Start of MODEL 20
1 H1 LEU 1 H LEU 1 12.497 -5.176 -2.207
2 HA LEU 1 HA LEU 1 12.315 -3.257 -0.936
3 HB2 LEU 1 2HB LEU 1 12.423 -1.019 -1.868
4 HB3 LEU 1 1HB LEU 1 13.924 -1.829 -2.223
5 HG LEU 1 HG LEU 1 11.701 -1.474 -4.256
6 HD11 LEU 1 1HD1 LEU 1 12.506 0.702 -3.516
7 HD12 LEU 1 2HD1 LEU 1 13.039 0.358 -5.162
8 HD13 LEU 1 3HD1 LEU 1 14.170 0.199 -3.819
9 HD21 LEU 1 3HD2 LEU 1 13.498 -1.887 -5.893
10 HD22 LEU 1 1HD2 LEU 1 13.281 -3.273 -4.825
11 HD23 LEU 1 2HD2 LEU 1 14.631 -2.168 -4.574
12 H VAL 2 H VAL 2 10.268 -1.777 -1.104
13 HA VAL 2 HA VAL 2 8.287 -3.404 -2.463
14 HB VAL 2 HB VAL 2 7.913 -1.155 -0.459
15 HG11 VAL 2 1HG1 VAL 2 5.948 -1.486 -1.858
16 HG12 VAL 2 2HG1 VAL 2 5.629 -2.030 -0.210
17 HG13 VAL 2 3HG1 VAL 2 5.952 -3.210 -1.481
18 HG21 VAL 2 3HG2 VAL 2 7.445 -2.915 1.188
19 HG22 VAL 2 1HG2 VAL 2 9.091 -3.028 0.566
20 HG23 VAL 2 2HG2 VAL 2 7.851 -4.142 -0.013
21 H ARG 3 H ARG 3 7.668 -2.780 -4.400
22 HA ARG 3 HA ARG 3 7.084 0.007 -4.903
23 HB2 ARG 3 2HB ARG 3 8.909 -1.679 -6.617
24 HB3 ARG 3 1HB ARG 3 8.017 -0.322 -7.279
25 HG2 ARG 3 2HG ARG 3 10.016 -0.156 -5.016
26 HG3 ARG 3 1HG ARG 3 10.349 0.262 -6.699
27 HD2 ARG 3 2HD ARG 3 8.671 2.031 -6.610
28 HD3 ARG 3 1HD ARG 3 8.256 1.590 -4.959
29 HE ARG 3 HE ARG 3 10.993 2.183 -5.125
30 HH11 ARG 3 1HH1 ARG 3 7.829 3.890 -5.282
31 HH12 ARG 3 2HH1 ARG 3 8.502 5.275 -4.551
32 HH21 ARG 3 1HH2 ARG 3 11.744 4.295 -4.097
33 HH22 ARG 3 2HH2 ARG 3 10.512 5.488 -3.929
34 H GLY 4 H GLY 4 7.004 -3.274 -6.313
35 HA2 GLY 4 2HA GLY 4 4.553 -2.745 -7.683
36 HA3 GLY 4 1HA GLY 4 5.347 -4.307 -7.503
37 H CYS 5 H CYS 5 3.327 -1.966 -5.893
38 HA CYS 5 HA CYS 5 2.150 -4.123 -4.245
39 HB2 CYS 5 2HB CYS 5 3.681 -2.721 -2.966
40 HB3 CYS 5 1HB CYS 5 2.815 -1.307 -3.329
41 H TRP 6 H TRP 6 0.193 -4.129 -3.913
42 HA TRP 6 HA TRP 6 -1.502 -2.159 -4.967
43 HB2 TRP 6 2HB TRP 6 -1.423 -3.014 -7.036
44 HB3 TRP 6 1HB TRP 6 -0.585 -4.444 -6.497
45 HD1 TRP 6 HD TRP 6 -2.015 -6.536 -6.038
46 HE1 TRP 6 1HE TRP 6 -4.380 -7.260 -7.031
47 HE3 TRP 6 3HE TRP 6 -3.595 -2.033 -7.589
48 HZ2 TRP 6 2HZ TRP 6 -6.547 -5.970 -8.292
49 HZ3 TRP 6 3HZ TRP 6 -5.748 -1.756 -8.619
50 HH2 TRP 6 HH TRP 6 -7.235 -3.711 -9.009
51 H THR 7 H THR 7 -3.383 -2.108 -3.791
52 HA THR 7 HA THR 7 -3.291 -3.792 -1.479
53 HB THR 7 HB THR 7 -4.853 -2.249 -0.451
54 HG1 THR 7 1HG THR 7 -6.370 -1.635 -1.799
55 HG21 THR 7 3HG2 THR 7 -2.544 -1.362 -0.655
56 HG22 THR 7 1HG2 THR 7 -3.744 -0.070 -0.701
57 HG23 THR 7 2HG2 THR 7 -2.993 -0.604 -2.184
58 H LYS 8 H LYS 8 -4.738 -5.266 -0.901
59 HA LYS 8 HA LYS 8 -6.674 -6.057 -2.904
60 HB2 LYS 8 2HB LYS 8 -5.704 -7.447 -0.371
61 HB3 LYS 8 1HB LYS 8 -6.995 -8.075 -1.376
62 HG2 LYS 8 2HG LYS 8 -4.965 -9.271 -1.881
63 HG3 LYS 8 1HG LYS 8 -5.376 -8.265 -3.266
64 HD2 LYS 8 2HD LYS 8 -3.739 -6.574 -2.430
65 HD3 LYS 8 1HD LYS 8 -3.276 -7.709 -1.166
66 HE2 LYS 8 2HE LYS 8 -2.529 -9.304 -2.840
67 HE3 LYS 8 1HE LYS 8 -3.081 -8.234 -4.130
68 HZ1 LYS 8 3HZ LYS 8 -0.724 -7.950 -3.845
69 HZ2 LYS 8 1HZ LYS 8 -0.914 -7.644 -2.182
70 HZ3 LYS 8 2HZ LYS 8 -1.533 -6.560 -3.305
71 H SER 9 H SER 9 -8.439 -4.958 -2.767
72 HA SER 9 HA SER 9 -9.809 -4.597 -0.245
73 HB2 SER 9 2HB SER 9 -9.114 -2.282 -2.098
74 HB3 SER 9 1HB SER 9 -9.946 -2.186 -0.546
75 HG SER 9 HG SER 9 -7.792 -3.376 0.053
76 H TYR 10 H TYR 10 -11.840 -2.978 -1.277
77 HA TYR 10 HA TYR 10 -12.457 -3.962 -3.899
78 HB2 TYR 10 2HB TYR 10 -13.538 -5.598 -2.375
79 HB3 TYR 10 1HB TYR 10 -14.361 -4.285 -1.543
80 HD1 TYR 10 2HD TYR 10 -14.072 -5.978 -4.840
81 HD2 TYR 10 1HD TYR 10 -16.461 -3.524 -2.315
82 HE1 TYR 10 2HE TYR 10 -15.944 -6.176 -6.424
83 HE2 TYR 10 1HE TYR 10 -18.336 -3.715 -3.892
84 HH TYR 10 HH TYR 10 -18.713 -4.209 -6.259
85 HA PRO 11 HA PRO 11 -12.637 -3.073 -5.526
86 HB2 PRO 11 2HB PRO 11 -11.600 -0.647 -6.688
87 HB3 PRO 11 1HB PRO 11 -12.850 -1.776 -7.268
88 HG2 PRO 11 2HG PRO 11 -13.439 0.761 -6.433
89 HG3 PRO 11 1HG PRO 11 -14.574 -0.602 -6.339
90 HD2 PRO 11 2HD PRO 11 -12.854 0.548 -4.178
91 HD3 PRO 11 1HD PRO 11 -14.542 -0.004 -4.107
92 HA PRO 12 HA PRO 12 -8.360 -3.163 -4.167
93 HB2 PRO 12 2HB PRO 12 -7.668 -4.451 -6.697
94 HB3 PRO 12 1HB PRO 12 -7.701 -5.169 -5.077
95 HG2 PRO 12 2HG PRO 12 -9.464 -5.818 -7.033
96 HG3 PRO 12 1HG PRO 12 -9.800 -5.954 -5.297
97 HD2 PRO 12 2HD PRO 12 -10.779 -3.893 -7.213
98 HD3 PRO 12 1HD PRO 12 -11.543 -4.536 -5.796
99 H LYS 13 H LYS 13 -6.422 -2.014 -4.624
100 HA LYS 13 HA LYS 13 -6.350 -0.361 -7.012
101 HB2 LYS 13 2HB LYS 13 -8.026 0.657 -5.538
102 HB3 LYS 13 1HB LYS 13 -6.864 0.606 -4.237
103 HG2 LYS 13 2HG LYS 13 -6.525 2.345 -6.691
104 HG3 LYS 13 1HG LYS 13 -7.404 2.867 -5.258
105 HD2 LYS 13 2HD LYS 13 -4.572 1.960 -5.360
106 HD3 LYS 13 1HD LYS 13 -5.077 3.658 -5.256
107 HE2 LYS 13 2HE LYS 13 -6.130 3.196 -3.062
108 HE3 LYS 13 1HE LYS 13 -5.640 1.510 -3.165
109 HZ1 LYS 13 3HZ LYS 13 -3.860 3.852 -2.956
110 HZ2 LYS 13 1HZ LYS 13 -3.369 2.265 -3.305
111 HZ3 LYS 13 2HZ LYS 13 -4.111 2.600 -1.817
112 HA PRO 14 HA PRO 14 -1.989 -1.036 -6.288
113 HB2 PRO 14 2HB PRO 14 -0.838 1.182 -7.388
114 HB3 PRO 14 1HB PRO 14 -1.502 -0.155 -8.334
115 HG2 PRO 14 2HG PRO 14 -2.833 2.424 -7.652
116 HG3 PRO 14 1HG PRO 14 -2.752 1.583 -9.216
117 HD2 PRO 14 2HD PRO 14 -4.936 1.386 -7.732
118 HD3 PRO 14 1HD PRO 14 -4.297 -0.037 -8.582
119 H CYS 15 H CYS 15 -0.090 -0.417 -4.838
120 HA CYS 15 HA CYS 15 -0.862 1.288 -2.704
121 HB2 CYS 15 2HB CYS 15 1.403 -0.297 -3.541
122 HB3 CYS 15 1HB CYS 15 1.527 0.453 -1.978
123 H PHE 16 H PHE 16 -0.130 3.186 -2.474
124 HA PHE 16 HA PHE 16 1.474 4.397 -4.596
125 HB2 PHE 16 2HB PHE 16 0.019 5.752 -2.312
126 HB3 PHE 16 1HB PHE 16 0.948 6.596 -3.541
127 HD1 PHE 16 1HD PHE 16 0.230 6.150 -6.007
128 HD2 PHE 16 2HD PHE 16 -2.244 5.436 -2.622
129 HE1 PHE 16 1HE PHE 16 -1.763 6.276 -7.443
130 HE2 PHE 16 2HE PHE 16 -4.240 5.555 -4.051
131 HZ PHE 16 HZ PHE 16 -4.002 5.976 -6.465
132 H VAL 17 H VAL 17 3.496 3.808 -4.282
133 HA VAL 17 HA VAL 17 4.744 4.459 -1.711
134 HB VAL 17 HB VAL 17 5.784 2.599 -3.880
135 HG11 VAL 17 1HG1 VAL 17 7.400 1.865 -2.186
136 HG12 VAL 17 2HG1 VAL 17 6.757 3.062 -1.063
137 HG13 VAL 17 3HG1 VAL 17 7.556 3.584 -2.546
138 HG21 VAL 17 3HG2 VAL 17 4.464 1.879 -1.257
139 HG22 VAL 17 1HG2 VAL 17 5.227 0.739 -2.366
140 HG23 VAL 17 2HG2 VAL 17 3.789 1.628 -2.866
141 H ARG 18 H ARG 18 5.888 6.266 -1.799
142 HA ARG 18 HA ARG 18 6.820 7.224 -4.397
143 HB2 ARG 18 2HB ARG 18 5.262 8.726 -3.150
144 HB3 ARG 18 1HB ARG 18 6.399 8.761 -1.812
145 HG2 ARG 18 2HG ARG 18 7.814 9.537 -4.148
146 HG3 ARG 18 1HG ARG 18 6.301 10.443 -4.111
147 HD2 ARG 18 2HD ARG 18 8.100 11.641 -2.934
148 HD3 ARG 18 1HD ARG 18 6.798 11.191 -1.830
149 HE ARG 18 HE ARG 18 8.544 9.109 -1.728
150 HH11 ARG 18 1HH1 ARG 18 8.874 12.551 -1.034
151 HH12 ARG 18 2HH1 ARG 18 10.106 12.336 0.130
152 HH21 ARG 18 1HH2 ARG 18 10.104 8.786 -0.260
153 HH22 ARG 18 2HH2 ARG 18 10.872 10.041 0.617
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