Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608578 | 5kx2 RC | 30146 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PRO 1 HA PRO 1 0.136 12.486 -3.772
2 HB2 PRO 1 2HB PRO 1 2.523 13.587 -4.138
3 HB3 PRO 1 1HB PRO 1 1.125 14.581 -3.714
4 HG2 PRO 1 2HG PRO 1 3.407 13.705 -2.017
5 HG3 PRO 1 1HG PRO 1 2.479 15.210 -1.956
6 HD2 PRO 1 2HD PRO 1 2.123 12.930 -0.311
7 HD3 PRO 1 1HD PRO 1 1.048 14.339 -0.432
8 H VAL 2 H VAL 2 1.637 10.764 -1.356
9 HA VAL 2 HA VAL 2 3.445 9.367 -3.193
10 HB VAL 2 HB VAL 2 3.477 9.342 -0.154
11 HG11 VAL 2 1HG1 VAL 2 5.466 8.250 -2.140
12 HG12 VAL 2 2HG1 VAL 2 4.383 7.296 -1.130
13 HG13 VAL 2 3HG1 VAL 2 5.662 8.259 -0.386
14 HG21 VAL 2 1HG2 VAL 2 5.286 10.796 -2.087
15 HG22 VAL 2 2HG2 VAL 2 5.510 10.711 -0.340
16 HG23 VAL 2 3HG2 VAL 2 4.103 11.538 -1.010
17 H THR 3 H THR 3 3.050 7.239 -3.652
18 HA THR 3 HA THR 3 0.721 6.031 -2.356
19 HB THR 3 HB THR 3 2.007 5.352 -5.015
20 HG1 THR 3 1HG THR 3 1.101 7.439 -4.984
21 HG21 THR 3 1HG2 THR 3 0.704 3.512 -4.041
22 HG22 THR 3 2HG2 THR 3 -0.135 4.181 -5.444
23 HG23 THR 3 3HG2 THR 3 -0.672 4.590 -3.816
24 H TRP 4 H TRP 4 1.089 4.248 -1.092
25 HA TRP 4 HA TRP 4 3.702 2.939 -1.324
26 HB2 TRP 4 2HB TRP 4 1.859 3.149 1.073
27 HB3 TRP 4 1HB TRP 4 3.380 2.268 1.037
28 HD1 TRP 4 HD TRP 4 1.972 5.804 1.233
29 HE1 TRP 4 1HE TRP 4 3.861 7.420 1.946
30 HE3 TRP 4 3HE TRP 4 5.911 2.608 0.913
31 HZ2 TRP 4 2HZ TRP 4 6.654 7.338 2.298
32 HZ3 TRP 4 3HZ TRP 4 8.170 3.444 1.448
33 HH2 TRP 4 HH TRP 4 8.524 5.767 2.125
34 H CYS 5 H CYS 5 3.284 1.255 -2.681
35 HA CYS 5 HA CYS 5 0.907 -0.340 -2.212
36 HB2 CYS 5 2HB CYS 5 3.017 -0.536 -4.365
37 HB3 CYS 5 1HB CYS 5 1.598 -1.571 -4.253
38 H VAL 6 H VAL 6 1.102 -1.541 -0.520
39 HA VAL 6 HA VAL 6 3.522 -3.158 -0.201
40 HB VAL 6 HB VAL 6 2.884 -3.411 2.183
41 HG11 VAL 6 1HG1 VAL 6 4.451 -1.662 1.599
42 HG12 VAL 6 2HG1 VAL 6 3.416 -1.133 2.925
43 HG13 VAL 6 3HG1 VAL 6 3.123 -0.545 1.287
44 HG21 VAL 6 1HG2 VAL 6 0.469 -3.097 1.973
45 HG22 VAL 6 2HG2 VAL 6 0.716 -1.397 1.563
46 HG23 VAL 6 3HG2 VAL 6 1.147 -1.993 3.168
47 H ARG 7 H ARG 7 3.021 -5.337 0.810
48 HA ARG 7 HA ARG 7 0.386 -6.216 -0.060
49 HB2 ARG 7 2HB ARG 7 1.294 -8.320 -0.892
50 HB3 ARG 7 1HB ARG 7 1.971 -6.938 -1.740
51 HG2 ARG 7 2HG ARG 7 4.022 -7.137 -0.459
52 HG3 ARG 7 1HG ARG 7 3.341 -8.499 0.435
53 HD2 ARG 7 2HD ARG 7 3.740 -8.402 -2.542
54 HD3 ARG 7 1HD ARG 7 4.839 -9.187 -1.414
55 HE ARG 7 HE ARG 7 2.545 -10.412 -0.827
56 HH11 ARG 7 1HH1 ARG 7 3.933 -9.680 -3.990
57 HH12 ARG 7 2HH1 ARG 7 3.328 -11.073 -4.733
58 HH21 ARG 7 1HH2 ARG 7 1.750 -12.328 -1.806
59 HH22 ARG 7 2HH2 ARG 7 2.038 -12.632 -3.467
60 H ILE 8 H ILE 8 -0.664 -7.531 1.141
61 HA ILE 8 HA ILE 8 0.556 -8.444 3.634
62 HB ILE 8 HB ILE 8 -2.393 -7.968 3.017
63 HG12 ILE 8 2HG1 ILE 8 -0.520 -6.304 4.726
64 HG13 ILE 8 1HG1 ILE 8 -1.120 -5.845 3.138
65 HG21 ILE 8 1HG2 ILE 8 -1.007 -8.612 5.625
66 HG22 ILE 8 2HG2 ILE 8 -2.000 -9.723 4.685
67 HG23 ILE 8 3HG2 ILE 8 -2.730 -8.297 5.426
68 HD11 ILE 8 1HD1 ILE 8 -2.793 -6.264 5.605
69 HD12 ILE 8 2HD1 ILE 8 -3.398 -5.795 4.017
70 HD13 ILE 8 3HD1 ILE 8 -2.335 -4.710 4.911
71 HA DPR 9 HA DPR 9 -0.650 -12.639 2.491
72 HB2 DPR 9 1HB DPR 9 2.220 -12.781 1.730
73 HB3 DPR 9 2HB DPR 9 1.287 -13.835 2.796
74 HG2 DPR 9 1HG DPR 9 3.048 -12.099 3.783
75 HG3 DPR 9 2HG DPR 9 1.511 -12.409 4.610
76 HD2 DPR 9 1HD DPR 9 2.321 -10.093 2.904
77 HD3 DPR 9 2HD DPR 9 1.353 -10.130 4.394
78 HA PRO 10 HA PRO 10 -0.114 -12.705 -2.003
79 HB2 PRO 10 2HB PRO 10 -2.471 -13.752 -2.624
80 HB3 PRO 10 1HB PRO 10 -1.248 -14.730 -1.797
81 HG2 PRO 10 2HG PRO 10 -3.678 -13.394 -0.676
82 HG3 PRO 10 1HG PRO 10 -3.008 -14.990 -0.305
83 HD2 PRO 10 2HD PRO 10 -2.609 -12.690 1.209
84 HD3 PRO 10 1HD PRO 10 -1.593 -14.143 1.267
85 H THR 11 H THR 11 -1.975 -10.631 -0.127
86 HA THR 11 HA THR 11 -3.362 -9.521 -2.439
87 HB THR 11 HB THR 11 -3.853 -9.004 0.479
88 HG1 THR 11 1HG THR 11 -4.935 -10.838 -1.404
89 HG21 THR 11 1HG2 THR 11 -4.683 -7.233 -1.015
90 HG22 THR 11 2HG2 THR 11 -6.025 -8.135 -0.312
91 HG23 THR 11 3HG2 THR 11 -5.534 -8.444 -1.977
92 H VAL 12 H VAL 12 -2.711 -7.691 -3.232
93 HA VAL 12 HA VAL 12 -0.678 -6.137 -1.796
94 HB VAL 12 HB VAL 12 -1.417 -6.009 -4.737
95 HG11 VAL 12 1HG1 VAL 12 -0.422 -3.940 -3.927
96 HG12 VAL 12 2HG1 VAL 12 0.696 -4.777 -5.003
97 HG13 VAL 12 3HG1 VAL 12 0.942 -4.835 -3.259
98 HG21 VAL 12 1HG2 VAL 12 0.659 -7.235 -5.175
99 HG22 VAL 12 2HG2 VAL 12 -0.454 -8.188 -4.189
100 HG23 VAL 12 3HG2 VAL 12 0.930 -7.400 -3.441
101 H ARG 13 H ARG 13 -1.050 -4.026 -1.302
102 HA ARG 13 HA ARG 13 -3.531 -2.823 -2.232
103 HB2 ARG 13 2HB ARG 13 -3.887 -1.887 0.056
104 HB3 ARG 13 1HB ARG 13 -4.118 -3.622 -0.060
105 HG2 ARG 13 2HG ARG 13 -2.103 -4.074 1.061
106 HG3 ARG 13 1HG ARG 13 -1.534 -2.416 0.864
107 HD2 ARG 13 2HD ARG 13 -2.315 -2.982 3.142
108 HD3 ARG 13 1HD ARG 13 -3.151 -1.603 2.422
109 HE ARG 13 HE ARG 13 -4.561 -4.001 1.944
110 HH11 ARG 13 1HH1 ARG 13 -3.743 -1.903 4.677
111 HH12 ARG 13 2HH1 ARG 13 -5.249 -2.048 5.443
112 HH21 ARG 13 1HH2 ARG 13 -6.626 -4.231 2.967
113 HH22 ARG 13 2HH2 ARG 13 -6.973 -3.413 4.423
114 H CYS 14 H CYS 14 -3.391 -0.704 -2.622
115 HA CYS 14 HA CYS 14 -0.795 0.524 -2.100
116 HB2 CYS 14 2HB CYS 14 -2.781 1.136 -4.298
117 HB3 CYS 14 1HB CYS 14 -1.291 2.025 -4.010
118 H THR 15 H THR 15 -0.939 1.595 -0.316
119 HA THR 15 HA THR 15 -3.334 3.082 0.335
120 HB THR 15 HB THR 15 -0.706 2.911 1.840
121 HG1 THR 15 1HG THR 15 -3.030 1.288 2.193
122 HG21 THR 15 1HG2 THR 15 -3.532 3.510 2.748
123 HG22 THR 15 2HG2 THR 15 -2.259 4.705 2.515
124 HG23 THR 15 3HG2 THR 15 -2.102 3.491 3.781
125 H VAL 16 H VAL 16 -3.443 5.222 -0.175
126 HA VAL 16 HA VAL 16 -0.988 6.426 -1.161
127 HB VAL 16 HB VAL 16 -3.802 7.517 -1.417
128 HG11 VAL 16 1HG1 VAL 16 -2.818 8.914 -3.196
129 HG12 VAL 16 2HG1 VAL 16 -1.233 8.241 -2.820
130 HG13 VAL 16 3HG1 VAL 16 -2.083 9.215 -1.621
131 HG21 VAL 16 1HG2 VAL 16 -2.203 5.960 -3.453
132 HG22 VAL 16 2HG2 VAL 16 -3.780 6.705 -3.727
133 HG23 VAL 16 3HG2 VAL 16 -3.619 5.368 -2.587
134 H ARG 17 H ARG 17 0.012 7.895 -0.056
135 HA ARG 17 HA ARG 17 -1.308 9.091 2.269
136 HB2 ARG 17 2HB ARG 17 1.619 8.453 1.844
137 HB3 ARG 17 1HB ARG 17 0.939 9.253 3.251
138 HG2 ARG 17 2HG ARG 17 0.366 6.418 2.399
139 HG3 ARG 17 1HG ARG 17 1.473 6.904 3.685
140 HD2 ARG 17 2HD ARG 17 -1.495 7.384 3.588
141 HD3 ARG 17 1HD ARG 17 -0.670 6.187 4.584
142 HE ARG 17 HE ARG 17 0.509 8.495 5.299
143 HH11 ARG 17 1HH1 ARG 17 -2.873 7.474 5.125
144 HH12 ARG 17 2HH1 ARG 17 -3.380 8.469 6.405
145 HH21 ARG 17 1HH2 ARG 17 -0.220 9.909 7.072
146 HH22 ARG 17 2HH2 ARG 17 -1.851 9.875 7.520
147 HA DPR 18 HA DPR 18 -0.127 13.063 0.695
148 HB2 DPR 18 1HB DPR 18 -2.516 13.722 -0.516
149 HB3 DPR 18 2HB DPR 18 -2.219 13.884 1.218
150 HG2 DPR 18 1HG DPR 18 -3.615 11.706 -0.278
151 HG3 DPR 18 2HG DPR 18 -4.050 12.450 1.272
152 HD2 DPR 18 1HD DPR 18 -2.847 10.052 1.111
153 HD3 DPR 18 2HD DPR 18 -2.525 11.174 2.449
Start of MODEL 2
1 HA PRO 1 HA PRO 1 0.311 12.430 -3.526
2 HB2 PRO 1 2HB PRO 1 2.758 13.367 -3.974
3 HB3 PRO 1 1HB PRO 1 1.457 14.455 -3.476
4 HG2 PRO 1 2HG PRO 1 3.725 13.364 -1.880
5 HG3 PRO 1 1HG PRO 1 2.940 14.947 -1.782
6 HD2 PRO 1 2HD PRO 1 2.440 12.722 -0.122
7 HD3 PRO 1 1HD PRO 1 1.457 14.195 -0.229
8 H VAL 2 H VAL 2 1.586 10.440 -1.233
9 HA VAL 2 HA VAL 2 3.356 9.073 -3.147
10 HB VAL 2 HB VAL 2 3.397 8.823 -0.127
11 HG11 VAL 2 1HG1 VAL 2 5.329 7.798 -2.207
12 HG12 VAL 2 2HG1 VAL 2 4.197 6.820 -1.276
13 HG13 VAL 2 3HG1 VAL 2 5.519 7.652 -0.458
14 HG21 VAL 2 1HG2 VAL 2 5.486 10.113 -0.227
15 HG22 VAL 2 2HG2 VAL 2 4.112 11.046 -0.823
16 HG23 VAL 2 3HG2 VAL 2 5.252 10.334 -1.961
17 H THR 3 H THR 3 2.805 7.113 -3.849
18 HA THR 3 HA THR 3 0.432 5.828 -2.773
19 HB THR 3 HB THR 3 2.150 5.021 -5.137
20 HG1 THR 3 1HG THR 3 0.506 7.165 -4.810
21 HG21 THR 3 1HG2 THR 3 -0.740 4.453 -4.426
22 HG22 THR 3 2HG2 THR 3 0.590 3.299 -4.324
23 HG23 THR 3 3HG2 THR 3 0.077 3.917 -5.894
24 H TRP 4 H TRP 4 0.761 4.340 -1.143
25 HA TRP 4 HA TRP 4 3.339 2.991 -1.087
26 HB2 TRP 4 2HB TRP 4 1.256 3.404 1.055
27 HB3 TRP 4 1HB TRP 4 2.650 2.350 1.251
28 HD1 TRP 4 HD TRP 4 1.687 6.034 1.070
29 HE1 TRP 4 1HE TRP 4 3.689 7.443 1.948
30 HE3 TRP 4 3HE TRP 4 5.173 2.364 1.429
31 HZ2 TRP 4 2HZ TRP 4 6.372 7.034 2.657
32 HZ3 TRP 4 3HZ TRP 4 7.451 2.947 2.204
33 HH2 TRP 4 HH TRP 4 8.022 5.239 2.802
34 H CYS 5 H CYS 5 3.356 1.117 -2.030
35 HA CYS 5 HA CYS 5 0.963 -0.552 -1.881
36 HB2 CYS 5 2HB CYS 5 3.294 -0.699 -3.810
37 HB3 CYS 5 1HB CYS 5 1.939 -1.814 -3.770
38 H VAL 6 H VAL 6 1.050 -1.882 -0.304
39 HA VAL 6 HA VAL 6 3.610 -3.169 0.342
40 HB VAL 6 HB VAL 6 1.261 -2.663 2.208
41 HG11 VAL 6 1HG1 VAL 6 3.991 -3.814 2.794
42 HG12 VAL 6 2HG1 VAL 6 2.472 -4.708 2.775
43 HG13 VAL 6 3HG1 VAL 6 2.745 -3.458 3.991
44 HG21 VAL 6 1HG2 VAL 6 2.431 -0.588 1.704
45 HG22 VAL 6 2HG2 VAL 6 3.972 -1.337 2.113
46 HG23 VAL 6 3HG2 VAL 6 2.757 -1.084 3.365
47 H ARG 7 H ARG 7 3.654 -5.286 0.014
48 HA ARG 7 HA ARG 7 1.167 -6.556 -0.699
49 HB2 ARG 7 2HB ARG 7 2.520 -8.524 -1.375
50 HB3 ARG 7 1HB ARG 7 3.029 -7.056 -2.185
51 HG2 ARG 7 2HG ARG 7 4.952 -6.880 -0.768
52 HG3 ARG 7 1HG ARG 7 4.403 -8.240 0.213
53 HD2 ARG 7 2HD ARG 7 4.568 -9.673 -1.805
54 HD3 ARG 7 1HD ARG 7 5.255 -8.299 -2.678
55 HE ARG 7 HE ARG 7 6.830 -8.434 -0.542
56 HH11 ARG 7 1HH1 ARG 7 5.829 -10.977 -2.801
57 HH12 ARG 7 2HH1 ARG 7 7.212 -11.931 -2.565
58 HH21 ARG 7 1HH2 ARG 7 8.694 -9.696 -0.218
59 HH22 ARG 7 2HH2 ARG 7 8.933 -11.156 -1.084
60 H ILE 8 H ILE 8 -0.045 -7.068 0.874
61 HA ILE 8 HA ILE 8 1.082 -8.221 3.307
62 HB ILE 8 HB ILE 8 -1.762 -7.303 2.724
63 HG12 ILE 8 2HG1 ILE 8 0.409 -5.849 4.262
64 HG13 ILE 8 1HG1 ILE 8 -0.120 -5.432 2.638
65 HG21 ILE 8 1HG2 ILE 8 -0.379 -8.010 5.314
66 HG22 ILE 8 2HG2 ILE 8 -1.637 -8.951 4.506
67 HG23 ILE 8 3HG2 ILE 8 -2.010 -7.361 5.175
68 HD11 ILE 8 1HD1 ILE 8 -1.095 -3.952 4.296
69 HD12 ILE 8 2HD1 ILE 8 -1.810 -5.333 5.129
70 HD13 ILE 8 3HD1 ILE 8 -2.346 -4.909 3.503
71 HA DPR 9 HA DPR 9 -0.758 -12.266 2.490
72 HB2 DPR 9 1HB DPR 9 2.001 -12.745 1.456
73 HB3 DPR 9 2HB DPR 9 1.038 -13.721 2.570
74 HG2 DPR 9 1HG DPR 9 3.033 -12.229 3.480
75 HG3 DPR 9 2HG DPR 9 1.508 -12.335 4.379
76 HD2 DPR 9 1HD DPR 9 2.537 -10.133 2.638
77 HD3 DPR 9 2HD DPR 9 1.634 -10.046 4.167
78 HA PRO 10 HA PRO 10 -0.793 -12.462 -2.021
79 HB2 PRO 10 2HB PRO 10 -3.318 -13.244 -2.312
80 HB3 PRO 10 1HB PRO 10 -2.100 -14.346 -1.662
81 HG2 PRO 10 2HG PRO 10 -4.240 -12.841 -0.235
82 HG3 PRO 10 1HG PRO 10 -3.586 -14.454 0.093
83 HD2 PRO 10 2HD PRO 10 -2.881 -12.070 1.411
84 HD3 PRO 10 1HD PRO 10 -2.015 -13.616 1.497
85 H THR 11 H THR 11 -2.094 -10.205 0.017
86 HA THR 11 HA THR 11 -3.588 -8.912 -2.132
87 HB THR 11 HB THR 11 -4.682 -7.542 -0.320
88 HG1 THR 11 1HG THR 11 -2.878 -8.841 1.220
89 HG21 THR 11 1HG2 THR 11 -6.210 -9.320 0.391
90 HG22 THR 11 2HG2 THR 11 -5.040 -10.531 -0.136
91 HG23 THR 11 3HG2 THR 11 -5.801 -9.469 -1.320
92 H VAL 12 H VAL 12 -2.403 -7.489 -3.161
93 HA VAL 12 HA VAL 12 -0.393 -5.979 -1.741
94 HB VAL 12 HB VAL 12 -1.277 -5.747 -4.640
95 HG11 VAL 12 1HG1 VAL 12 -0.159 -3.744 -3.821
96 HG12 VAL 12 2HG1 VAL 12 0.875 -4.601 -4.965
97 HG13 VAL 12 3HG1 VAL 12 1.190 -4.717 -3.235
98 HG21 VAL 12 1HG2 VAL 12 0.738 -7.042 -5.191
99 HG22 VAL 12 2HG2 VAL 12 -0.388 -7.974 -4.204
100 HG23 VAL 12 3HG2 VAL 12 1.054 -7.270 -3.472
101 H ARG 13 H ARG 13 -0.904 -4.200 -0.747
102 HA ARG 13 HA ARG 13 -3.419 -2.912 -1.478
103 HB2 ARG 13 2HB ARG 13 -3.353 -3.762 0.815
104 HB3 ARG 13 1HB ARG 13 -1.886 -2.843 1.127
105 HG2 ARG 13 2HG ARG 13 -3.109 -0.767 0.754
106 HG3 ARG 13 1HG ARG 13 -4.574 -1.692 0.450
107 HD2 ARG 13 2HD ARG 13 -4.540 -2.537 2.724
108 HD3 ARG 13 1HD ARG 13 -3.016 -1.696 3.032
109 HE ARG 13 HE ARG 13 -4.658 0.239 2.143
110 HH11 ARG 13 1HH1 ARG 13 -4.835 -2.035 4.856
111 HH12 ARG 13 2HH1 ARG 13 -5.809 -1.014 5.812
112 HH21 ARG 13 1HH2 ARG 13 -6.005 1.595 3.450
113 HH22 ARG 13 2HH2 ARG 13 -6.460 1.104 5.019
114 H CYS 14 H CYS 14 -3.097 -1.257 -2.733
115 HA CYS 14 HA CYS 14 -0.785 0.471 -2.310
116 HB2 CYS 14 2HB CYS 14 -2.617 0.172 -4.701
117 HB3 CYS 14 1HB CYS 14 -1.395 1.425 -4.554
118 H THR 15 H THR 15 -1.460 1.657 -0.654
119 HA THR 15 HA THR 15 -3.893 3.242 -1.052
120 HB THR 15 HB THR 15 -2.499 2.509 1.543
121 HG1 THR 15 1HG THR 15 -4.423 1.322 0.001
122 HG21 THR 15 1HG2 THR 15 -5.123 3.958 1.060
123 HG22 THR 15 2HG2 THR 15 -3.645 4.694 1.676
124 HG23 THR 15 3HG2 THR 15 -4.491 3.481 2.636
125 H VAL 16 H VAL 16 -3.630 5.356 -1.294
126 HA VAL 16 HA VAL 16 -0.952 6.371 -1.286
127 HB VAL 16 HB VAL 16 -1.834 8.410 -2.264
128 HG11 VAL 16 1HG1 VAL 16 -2.779 7.458 -4.343
129 HG12 VAL 16 2HG1 VAL 16 -2.941 5.908 -3.518
130 HG13 VAL 16 3HG1 VAL 16 -1.345 6.611 -3.770
131 HG21 VAL 16 1HG2 VAL 16 -4.238 8.645 -2.805
132 HG22 VAL 16 2HG2 VAL 16 -3.945 8.608 -1.067
133 HG23 VAL 16 3HG2 VAL 16 -4.571 7.179 -1.882
134 H ARG 17 H ARG 17 -0.100 7.862 -0.080
135 HA ARG 17 HA ARG 17 -1.613 8.968 2.165
136 HB2 ARG 17 2HB ARG 17 1.247 7.938 2.147
137 HB3 ARG 17 1HB ARG 17 0.546 8.876 3.454
138 HG2 ARG 17 2HG ARG 17 -0.998 7.125 3.980
139 HG3 ARG 17 1HG ARG 17 -0.525 6.212 2.548
140 HD2 ARG 17 2HD ARG 17 0.501 5.298 4.578
141 HD3 ARG 17 1HD ARG 17 1.711 5.911 3.456
142 HE ARG 17 HE ARG 17 0.818 7.658 5.596
143 HH11 ARG 17 1HH1 ARG 17 3.393 5.641 4.246
144 HH12 ARG 17 2HH1 ARG 17 4.552 6.102 5.401
145 HH21 ARG 17 1HH2 ARG 17 2.416 8.319 7.159
146 HH22 ARG 17 2HH2 ARG 17 3.984 7.672 7.118
147 HA DPR 18 HA DPR 18 0.313 12.800 0.977
148 HB2 DPR 18 1HB DPR 18 -1.926 13.952 -0.111
149 HB3 DPR 18 2HB DPR 18 -1.616 13.908 1.627
150 HG2 DPR 18 1HG DPR 18 -3.380 12.163 -0.037
151 HG3 DPR 18 2HG DPR 18 -3.667 12.826 1.583
152 HD2 DPR 18 1HD DPR 18 -2.895 10.268 1.154
153 HD3 DPR 18 2HD DPR 18 -2.436 11.180 2.608
Start of MODEL 3
1 HA PRO 1 HA PRO 1 0.844 12.104 -4.487
2 HB2 PRO 1 2HB PRO 1 3.340 12.920 -4.647
3 HB3 PRO 1 1HB PRO 1 2.024 14.090 -4.474
4 HG2 PRO 1 2HG PRO 1 3.968 13.116 -2.429
5 HG3 PRO 1 1HG PRO 1 3.294 14.740 -2.647
6 HD2 PRO 1 2HD PRO 1 2.385 12.798 -0.827
7 HD3 PRO 1 1HD PRO 1 1.522 14.272 -1.318
8 H VAL 2 H VAL 2 1.791 10.444 -1.750
9 HA VAL 2 HA VAL 2 3.510 8.675 -3.351
10 HB VAL 2 HB VAL 2 3.568 8.932 -0.331
11 HG11 VAL 2 1HG1 VAL 2 4.209 6.722 -1.129
12 HG12 VAL 2 2HG1 VAL 2 5.605 7.578 -0.477
13 HG13 VAL 2 3HG1 VAL 2 5.389 7.445 -2.223
14 HG21 VAL 2 1HG2 VAL 2 5.539 9.984 -2.364
15 HG22 VAL 2 2HG2 VAL 2 5.738 10.037 -0.613
16 HG23 VAL 2 3HG2 VAL 2 4.444 10.958 -1.383
17 H THR 3 H THR 3 2.616 6.828 -3.881
18 HA THR 3 HA THR 3 0.396 5.831 -2.297
19 HB THR 3 HB THR 3 1.493 4.753 -4.916
20 HG1 THR 3 1HG THR 3 0.529 6.983 -4.794
21 HG21 THR 3 1HG2 THR 3 0.170 3.138 -3.619
22 HG22 THR 3 2HG2 THR 3 -0.693 3.651 -5.069
23 HG23 THR 3 3HG2 THR 3 -1.141 4.311 -3.496
24 H TRP 4 H TRP 4 0.900 4.557 -0.659
25 HA TRP 4 HA TRP 4 3.360 3.018 -0.703
26 HB2 TRP 4 2HB TRP 4 1.362 3.596 1.499
27 HB3 TRP 4 1HB TRP 4 2.788 2.585 1.699
28 HD1 TRP 4 HD TRP 4 1.767 6.257 1.204
29 HE1 TRP 4 1HE TRP 4 3.756 7.754 1.914
30 HE3 TRP 4 3HE TRP 4 5.278 2.631 1.980
31 HZ2 TRP 4 2HZ TRP 4 6.443 7.425 2.696
32 HZ3 TRP 4 3HZ TRP 4 7.534 3.305 2.708
33 HH2 TRP 4 HH TRP 4 8.095 5.652 3.055
34 H CYS 5 H CYS 5 3.171 1.073 -1.601
35 HA CYS 5 HA CYS 5 0.645 -0.319 -1.206
36 HB2 CYS 5 2HB CYS 5 2.770 -0.824 -3.296
37 HB3 CYS 5 1HB CYS 5 1.257 -1.703 -3.144
38 H VAL 6 H VAL 6 0.721 -1.515 0.471
39 HA VAL 6 HA VAL 6 3.189 -2.910 1.173
40 HB VAL 6 HB VAL 6 2.125 -1.522 2.955
41 HG11 VAL 6 1HG1 VAL 6 -0.217 -3.385 2.722
42 HG12 VAL 6 2HG1 VAL 6 -0.186 -1.665 2.329
43 HG13 VAL 6 3HG1 VAL 6 0.020 -2.192 3.999
44 HG21 VAL 6 1HG2 VAL 6 2.065 -3.223 4.748
45 HG22 VAL 6 2HG2 VAL 6 3.447 -3.411 3.674
46 HG23 VAL 6 3HG2 VAL 6 2.057 -4.484 3.514
47 H ARG 7 H ARG 7 3.162 -5.158 1.401
48 HA ARG 7 HA ARG 7 0.860 -6.371 0.078
49 HB2 ARG 7 2HB ARG 7 2.466 -8.006 -0.906
50 HB3 ARG 7 1HB ARG 7 2.615 -6.359 -1.494
51 HG2 ARG 7 2HG ARG 7 4.529 -6.026 0.039
52 HG3 ARG 7 1HG ARG 7 4.412 -7.727 0.498
53 HD2 ARG 7 2HD ARG 7 6.117 -7.355 -1.209
54 HD3 ARG 7 1HD ARG 7 4.828 -8.385 -1.812
55 HE ARG 7 HE ARG 7 4.938 -5.503 -2.363
56 HH11 ARG 7 1HH1 ARG 7 4.434 -8.829 -3.518
57 HH12 ARG 7 2HH1 ARG 7 4.309 -8.396 -5.158
58 HH21 ARG 7 1HH2 ARG 7 4.649 -4.901 -4.628
59 HH22 ARG 7 2HH2 ARG 7 4.421 -6.101 -5.805
60 H ILE 8 H ILE 8 -0.115 -7.935 1.020
61 HA ILE 8 HA ILE 8 1.253 -9.400 3.141
62 HB ILE 8 HB ILE 8 -1.712 -8.688 3.012
63 HG12 ILE 8 2HG1 ILE 8 0.426 -7.727 4.937
64 HG13 ILE 8 1HG1 ILE 8 -0.267 -6.770 3.636
65 HG21 ILE 8 1HG2 ILE 8 -1.856 -9.735 5.242
66 HG22 ILE 8 2HG2 ILE 8 -0.157 -10.191 5.132
67 HG23 ILE 8 3HG2 ILE 8 -1.329 -10.891 4.017
68 HD11 ILE 8 1HD1 ILE 8 -1.746 -7.847 6.025
69 HD12 ILE 8 2HD1 ILE 8 -2.448 -6.879 4.729
70 HD13 ILE 8 3HD1 ILE 8 -1.223 -6.180 5.785
71 HA DPR 9 HA DPR 9 -0.053 -13.188 1.113
72 HB2 DPR 9 1HB DPR 9 2.610 -12.914 -0.192
73 HB3 DPR 9 2HB DPR 9 1.933 -14.286 0.686
74 HG2 DPR 9 1HG DPR 9 3.812 -12.764 1.800
75 HG3 DPR 9 2HG DPR 9 2.454 -13.366 2.765
76 HD2 DPR 9 1HD DPR 9 2.904 -10.639 1.620
77 HD3 DPR 9 2HD DPR 9 2.244 -11.123 3.196
78 HA PRO 10 HA PRO 10 -0.480 -12.179 -3.278
79 HB2 PRO 10 2HB PRO 10 -2.995 -12.986 -3.593
80 HB3 PRO 10 1HB PRO 10 -1.701 -14.163 -3.333
81 HG2 PRO 10 2HG PRO 10 -3.684 -13.069 -1.371
82 HG3 PRO 10 1HG PRO 10 -3.157 -14.746 -1.597
83 HD2 PRO 10 2HD PRO 10 -2.160 -13.077 0.344
84 HD3 PRO 10 1HD PRO 10 -1.258 -14.441 -0.352
85 H THR 11 H THR 11 -1.883 -10.659 -0.596
86 HA THR 11 HA THR 11 -3.603 -8.959 -2.222
87 HB THR 11 HB THR 11 -3.355 -9.058 0.753
88 HG1 THR 11 1HG THR 11 -4.628 -10.693 -1.106
89 HG21 THR 11 1HG2 THR 11 -5.575 -8.097 -1.074
90 HG22 THR 11 2HG2 THR 11 -4.481 -7.070 -0.149
91 HG23 THR 11 3HG2 THR 11 -5.642 -8.099 0.688
92 H VAL 12 H VAL 12 -2.720 -7.193 -2.886
93 HA VAL 12 HA VAL 12 -0.639 -5.854 -1.310
94 HB VAL 12 HB VAL 12 -1.358 -5.430 -4.238
95 HG11 VAL 12 1HG1 VAL 12 -0.426 -3.424 -3.222
96 HG12 VAL 12 2HG1 VAL 12 0.721 -4.130 -4.361
97 HG13 VAL 12 3HG1 VAL 12 0.954 -4.348 -2.627
98 HG21 VAL 12 1HG2 VAL 12 -0.342 -7.625 -3.900
99 HG22 VAL 12 2HG2 VAL 12 1.005 -6.883 -3.040
100 HG23 VAL 12 3HG2 VAL 12 0.766 -6.552 -4.754
101 H ARG 13 H ARG 13 -1.118 -3.970 -0.393
102 HA ARG 13 HA ARG 13 -3.709 -2.751 -1.047
103 HB2 ARG 13 2HB ARG 13 -2.138 -2.634 1.519
104 HB3 ARG 13 1HB ARG 13 -3.643 -1.788 1.214
105 HG2 ARG 13 2HG ARG 13 -4.794 -3.923 0.995
106 HG3 ARG 13 1HG ARG 13 -3.271 -4.768 1.302
107 HD2 ARG 13 2HD ARG 13 -3.102 -3.644 3.471
108 HD3 ARG 13 1HD ARG 13 -4.645 -2.849 3.168
109 HE ARG 13 HE ARG 13 -5.325 -5.375 2.900
110 HH11 ARG 13 1HH1 ARG 13 -3.419 -3.759 5.429
111 HH12 ARG 13 2HH1 ARG 13 -3.862 -4.845 6.645
112 HH21 ARG 13 1HH2 ARG 13 -5.904 -6.882 4.600
113 HH22 ARG 13 2HH2 ARG 13 -5.277 -6.677 6.168
114 H CYS 14 H CYS 14 -3.440 -0.992 -2.201
115 HA CYS 14 HA CYS 14 -1.058 0.610 -1.765
116 HB2 CYS 14 2HB CYS 14 -3.057 0.592 -4.018
117 HB3 CYS 14 1HB CYS 14 -1.780 1.794 -3.862
118 H THR 15 H THR 15 -1.301 1.893 -0.175
119 HA THR 15 HA THR 15 -3.780 3.409 0.165
120 HB THR 15 HB THR 15 -1.459 2.996 2.058
121 HG1 THR 15 1HG THR 15 -3.680 1.448 1.420
122 HG21 THR 15 1HG2 THR 15 -2.870 4.944 2.551
123 HG22 THR 15 2HG2 THR 15 -3.078 3.693 3.777
124 HG23 THR 15 3HG2 THR 15 -4.304 3.918 2.530
125 H VAL 16 H VAL 16 -3.629 5.490 -0.530
126 HA VAL 16 HA VAL 16 -0.974 6.487 -1.119
127 HB VAL 16 HB VAL 16 -2.708 6.555 -2.907
128 HG11 VAL 16 1HG1 VAL 16 -4.665 7.082 -1.579
129 HG12 VAL 16 2HG1 VAL 16 -4.444 8.237 -2.890
130 HG13 VAL 16 3HG1 VAL 16 -4.013 8.686 -1.240
131 HG21 VAL 16 1HG2 VAL 16 -1.603 9.233 -2.080
132 HG22 VAL 16 2HG2 VAL 16 -2.228 8.842 -3.680
133 HG23 VAL 16 3HG2 VAL 16 -0.792 8.020 -3.070
134 H ARG 17 H ARG 17 -0.013 8.084 -0.158
135 HA ARG 17 HA ARG 17 -1.511 9.660 1.785
136 HB2 ARG 17 2HB ARG 17 1.394 8.782 1.892
137 HB3 ARG 17 1HB ARG 17 0.657 9.911 3.018
138 HG2 ARG 17 2HG ARG 17 -0.855 8.170 3.796
139 HG3 ARG 17 1HG ARG 17 -0.154 7.033 2.643
140 HD2 ARG 17 2HD ARG 17 2.022 7.275 3.746
141 HD3 ARG 17 1HD ARG 17 1.307 8.395 4.905
142 HE ARG 17 HE ARG 17 -0.238 6.197 5.106
143 HH11 ARG 17 1HH1 ARG 17 3.246 6.760 5.412
144 HH12 ARG 17 2HH1 ARG 17 3.522 5.475 6.492
145 HH21 ARG 17 1HH2 ARG 17 0.140 4.378 6.592
146 HH22 ARG 17 2HH2 ARG 17 1.712 4.084 7.166
147 HA DPR 18 HA DPR 18 0.075 13.312 -0.229
148 HB2 DPR 18 1HB DPR 18 -2.441 13.255 -1.779
149 HB3 DPR 18 2HB DPR 18 -1.822 14.516 -0.712
150 HG2 DPR 18 1HG DPR 18 -3.894 12.982 -0.003
151 HG3 DPR 18 2HG DPR 18 -2.693 13.523 1.180
152 HD2 DPR 18 1HD DPR 18 -2.990 10.857 -0.140
153 HD3 DPR 18 2HD DPR 18 -2.585 11.262 1.541
Start of MODEL 4
1 HA PRO 1 HA PRO 1 0.342 12.290 -4.252
2 HB2 PRO 1 2HB PRO 1 2.777 13.296 -4.476
3 HB3 PRO 1 1HB PRO 1 1.392 14.364 -4.206
4 HG2 PRO 1 2HG PRO 1 3.462 13.421 -2.280
5 HG3 PRO 1 1HG PRO 1 2.707 15.020 -2.410
6 HD2 PRO 1 2HD PRO 1 1.971 12.995 -0.615
7 HD3 PRO 1 1HD PRO 1 0.991 14.413 -1.050
8 H VAL 2 H VAL 2 1.528 10.658 -1.614
9 HA VAL 2 HA VAL 2 3.487 9.116 -3.176
10 HB VAL 2 HB VAL 2 3.119 9.130 -0.168
11 HG11 VAL 2 1HG1 VAL 2 5.356 8.091 -1.887
12 HG12 VAL 2 2HG1 VAL 2 4.168 7.120 -1.019
13 HG13 VAL 2 3HG1 VAL 2 5.335 8.093 -0.125
14 HG21 VAL 2 1HG2 VAL 2 3.820 11.347 -0.905
15 HG22 VAL 2 2HG2 VAL 2 5.157 10.625 -1.807
16 HG23 VAL 2 3HG2 VAL 2 5.127 10.526 -0.049
17 H THR 3 H THR 3 3.147 6.950 -3.507
18 HA THR 3 HA THR 3 0.705 5.785 -2.375
19 HB THR 3 HB THR 3 2.129 4.999 -4.929
20 HG1 THR 3 1HG THR 3 1.093 7.157 -4.868
21 HG21 THR 3 1HG2 THR 3 0.780 3.219 -3.920
22 HG22 THR 3 2HG2 THR 3 0.024 3.798 -5.403
23 HG23 THR 3 3HG2 THR 3 -0.607 4.300 -3.837
24 H TRP 4 H TRP 4 1.155 4.234 -0.894
25 HA TRP 4 HA TRP 4 3.699 2.789 -1.133
26 HB2 TRP 4 2HB TRP 4 1.894 3.057 1.284
27 HB3 TRP 4 1HB TRP 4 3.439 2.229 1.236
28 HD1 TRP 4 HD TRP 4 1.898 5.688 1.339
29 HE1 TRP 4 1HE TRP 4 3.719 7.394 2.041
30 HE3 TRP 4 3HE TRP 4 5.971 2.653 1.167
31 HZ2 TRP 4 2HZ TRP 4 6.480 7.432 2.462
32 HZ3 TRP 4 3HZ TRP 4 8.177 3.595 1.734
33 HH2 TRP 4 HH TRP 4 8.417 5.940 2.367
34 H CYS 5 H CYS 5 3.167 1.085 -2.438
35 HA CYS 5 HA CYS 5 0.777 -0.414 -1.792
36 HB2 CYS 5 2HB CYS 5 2.809 -0.834 -3.996
37 HB3 CYS 5 1HB CYS 5 1.341 -1.774 -3.774
38 H VAL 6 H VAL 6 0.921 -1.606 -0.149
39 HA VAL 6 HA VAL 6 3.386 -3.090 0.374
40 HB VAL 6 HB VAL 6 2.477 -3.432 2.664
41 HG11 VAL 6 1HG1 VAL 6 2.613 -0.539 1.817
42 HG12 VAL 6 2HG1 VAL 6 3.978 -1.561 2.266
43 HG13 VAL 6 3HG1 VAL 6 2.769 -1.127 3.473
44 HG21 VAL 6 1HG2 VAL 6 0.085 -3.283 2.177
45 HG22 VAL 6 2HG2 VAL 6 0.259 -1.576 1.774
46 HG23 VAL 6 3HG2 VAL 6 0.530 -2.122 3.427
47 H ARG 7 H ARG 7 3.136 -5.358 0.955
48 HA ARG 7 HA ARG 7 0.667 -6.387 -0.170
49 HB2 ARG 7 2HB ARG 7 1.879 -8.325 -1.102
50 HB3 ARG 7 1HB ARG 7 2.390 -6.802 -1.801
51 HG2 ARG 7 2HG ARG 7 4.372 -6.852 -0.310
52 HG3 ARG 7 1HG ARG 7 3.869 -8.456 0.233
53 HD2 ARG 7 2HD ARG 7 3.973 -9.232 -2.112
54 HD3 ARG 7 1HD ARG 7 4.564 -7.638 -2.586
55 HE ARG 7 HE ARG 7 5.985 -9.314 -0.650
56 HH11 ARG 7 1HH1 ARG 7 6.029 -7.382 -3.646
57 HH12 ARG 7 2HH1 ARG 7 7.688 -7.569 -3.909
58 HH21 ARG 7 1HH2 ARG 7 8.313 -9.585 -1.054
59 HH22 ARG 7 2HH2 ARG 7 9.006 -8.863 -2.424
60 H ILE 8 H ILE 8 -0.503 -7.500 1.004
61 HA ILE 8 HA ILE 8 0.542 -8.673 3.472
62 HB ILE 8 HB ILE 8 -2.337 -8.006 2.720
63 HG12 ILE 8 2HG1 ILE 8 -0.476 -6.519 4.601
64 HG13 ILE 8 1HG1 ILE 8 -0.927 -5.970 2.994
65 HG21 ILE 8 1HG2 ILE 8 -1.113 -8.835 5.357
66 HG22 ILE 8 2HG2 ILE 8 -2.132 -9.840 4.329
67 HG23 ILE 8 3HG2 ILE 8 -2.803 -8.401 5.101
68 HD11 ILE 8 1HD1 ILE 8 -2.184 -4.812 4.723
69 HD12 ILE 8 2HD1 ILE 8 -2.799 -6.353 5.322
70 HD13 ILE 8 3HD1 ILE 8 -3.256 -5.787 3.717
71 HA DPR 9 HA DPR 9 -0.748 -12.731 2.017
72 HB2 DPR 9 1HB DPR 9 1.811 -13.575 1.361
73 HB3 DPR 9 2HB DPR 9 1.129 -13.682 2.985
74 HG2 DPR 9 1HG DPR 9 2.953 -11.634 1.817
75 HG3 DPR 9 2HG DPR 9 2.984 -12.375 3.425
76 HD2 DPR 9 1HD DPR 9 2.029 -9.918 3.018
77 HD3 DPR 9 2HD DPR 9 1.291 -11.008 4.216
78 HA PRO 10 HA PRO 10 0.038 -12.331 -2.434
79 HB2 PRO 10 2HB PRO 10 -2.222 -13.425 -3.294
80 HB3 PRO 10 1HB PRO 10 -0.963 -14.415 -2.545
81 HG2 PRO 10 2HG PRO 10 -3.563 -13.508 -1.436
82 HG3 PRO 10 1HG PRO 10 -2.658 -14.993 -1.104
83 HD2 PRO 10 2HD PRO 10 -2.709 -12.621 0.469
84 HD3 PRO 10 1HD PRO 10 -1.665 -14.041 0.692
85 H THR 11 H THR 11 -1.925 -10.519 -0.452
86 HA THR 11 HA THR 11 -3.361 -9.245 -2.657
87 HB THR 11 HB THR 11 -3.737 -8.885 0.293
88 HG1 THR 11 1HG THR 11 -4.657 -10.801 -1.522
89 HG21 THR 11 1HG2 THR 11 -5.518 -8.203 -2.058
90 HG22 THR 11 2HG2 THR 11 -4.615 -7.054 -1.074
91 HG23 THR 11 3HG2 THR 11 -5.942 -7.972 -0.362
92 H VAL 12 H VAL 12 -2.522 -7.436 -3.375
93 HA VAL 12 HA VAL 12 -0.671 -5.957 -1.696
94 HB VAL 12 HB VAL 12 0.054 -6.494 -4.037
95 HG11 VAL 12 1HG1 VAL 12 -2.059 -6.330 -5.210
96 HG12 VAL 12 2HG1 VAL 12 -0.861 -5.264 -5.942
97 HG13 VAL 12 3HG1 VAL 12 -2.116 -4.596 -4.898
98 HG21 VAL 12 1HG2 VAL 12 1.073 -4.626 -2.879
99 HG22 VAL 12 2HG2 VAL 12 -0.210 -3.553 -3.434
100 HG23 VAL 12 3HG2 VAL 12 0.914 -4.258 -4.596
101 H ARG 13 H ARG 13 -1.078 -3.970 -0.963
102 HA ARG 13 HA ARG 13 -3.655 -2.772 -1.659
103 HB2 ARG 13 2HB ARG 13 -3.829 -3.965 0.495
104 HB3 ARG 13 1HB ARG 13 -2.471 -3.036 1.110
105 HG2 ARG 13 2HG ARG 13 -3.756 -0.998 0.973
106 HG3 ARG 13 1HG ARG 13 -5.096 -1.875 0.229
107 HD2 ARG 13 2HD ARG 13 -3.998 -2.369 2.994
108 HD3 ARG 13 1HD ARG 13 -5.472 -1.477 2.618
109 HE ARG 13 HE ARG 13 -5.782 -3.888 1.399
110 HH11 ARG 13 1HH1 ARG 13 -5.358 -2.758 4.706
111 HH12 ARG 13 2HH1 ARG 13 -6.087 -4.081 5.458
112 HH21 ARG 13 1HH2 ARG 13 -6.858 -5.740 2.379
113 HH22 ARG 13 2HH2 ARG 13 -6.981 -5.858 4.062
114 H CYS 14 H CYS 14 -3.488 -0.682 -2.152
115 HA CYS 14 HA CYS 14 -0.874 0.519 -1.728
116 HB2 CYS 14 2HB CYS 14 -2.930 1.093 -3.860
117 HB3 CYS 14 1HB CYS 14 -1.406 1.954 -3.668
118 H THR 15 H THR 15 -0.915 1.576 0.033
119 HA THR 15 HA THR 15 -3.195 3.217 0.718
120 HB THR 15 HB THR 15 -1.776 3.717 2.785
121 HG1 THR 15 1HG THR 15 0.085 2.562 1.326
122 HG21 THR 15 1HG2 THR 15 -3.563 2.033 2.817
123 HG22 THR 15 2HG2 THR 15 -2.199 1.513 3.806
124 HG23 THR 15 3HG2 THR 15 -2.441 0.823 2.200
125 H VAL 16 H VAL 16 -3.308 5.135 -0.150
126 HA VAL 16 HA VAL 16 -0.926 6.451 -1.129
127 HB VAL 16 HB VAL 16 -3.842 7.239 -1.418
128 HG11 VAL 16 1HG1 VAL 16 -3.071 8.677 -3.244
129 HG12 VAL 16 2HG1 VAL 16 -1.403 8.224 -2.891
130 HG13 VAL 16 3HG1 VAL 16 -2.338 9.130 -1.704
131 HG21 VAL 16 1HG2 VAL 16 -3.390 5.084 -2.477
132 HG22 VAL 16 2HG2 VAL 16 -2.056 5.808 -3.380
133 HG23 VAL 16 3HG2 VAL 16 -3.711 6.336 -3.676
134 H ARG 17 H ARG 17 -0.024 8.080 -0.126
135 HA ARG 17 HA ARG 17 -1.481 9.418 2.042
136 HB2 ARG 17 2HB ARG 17 1.526 9.049 1.873
137 HB3 ARG 17 1HB ARG 17 0.617 9.691 3.227
138 HG2 ARG 17 2HG ARG 17 0.591 6.842 2.256
139 HG3 ARG 17 1HG ARG 17 1.431 7.439 3.686
140 HD2 ARG 17 2HD ARG 17 -0.774 8.062 4.633
141 HD3 ARG 17 1HD ARG 17 -1.543 7.368 3.205
142 HE ARG 17 HE ARG 17 0.238 5.561 4.520
143 HH11 ARG 17 1HH1 ARG 17 -3.089 6.758 4.526
144 HH12 ARG 17 2HH1 ARG 17 -3.736 5.414 5.328
145 HH21 ARG 17 1HH2 ARG 17 -0.635 3.699 5.622
146 HH22 ARG 17 2HH2 ARG 17 -2.293 3.620 5.986
147 HA DPR 18 HA DPR 18 -0.336 13.303 0.096
148 HB2 DPR 18 1HB DPR 18 -2.947 12.991 -1.295
149 HB3 DPR 18 2HB DPR 18 -2.352 14.343 -0.331
150 HG2 DPR 18 1HG DPR 18 -4.214 12.676 0.619
151 HG3 DPR 18 2HG DPR 18 -2.956 13.346 1.672
152 HD2 DPR 18 1HD DPR 18 -3.187 10.612 0.495
153 HD3 DPR 18 2HD DPR 18 -2.584 11.121 2.086
Start of MODEL 5
1 HA PRO 1 HA PRO 1 0.375 12.665 -4.240
2 HB2 PRO 1 2HB PRO 1 2.818 13.709 -4.112
3 HB3 PRO 1 1HB PRO 1 1.384 14.735 -3.958
4 HG2 PRO 1 2HG PRO 1 3.210 13.702 -1.826
5 HG3 PRO 1 1HG PRO 1 2.464 15.299 -1.981
6 HD2 PRO 1 2HD PRO 1 1.508 13.250 -0.373
7 HD3 PRO 1 1HD PRO 1 0.545 14.622 -0.956
8 H VAL 2 H VAL 2 1.471 10.937 -1.567
9 HA VAL 2 HA VAL 2 3.442 9.441 -3.161
10 HB VAL 2 HB VAL 2 3.189 9.532 -0.131
11 HG11 VAL 2 1HG1 VAL 2 5.409 8.516 -0.118
12 HG12 VAL 2 2HG1 VAL 2 5.400 8.465 -1.880
13 HG13 VAL 2 3HG1 VAL 2 4.242 7.501 -0.964
14 HG21 VAL 2 1HG2 VAL 2 5.137 11.016 -1.897
15 HG22 VAL 2 2HG2 VAL 2 5.198 10.953 -0.137
16 HG23 VAL 2 3HG2 VAL 2 3.836 11.732 -0.945
17 H THR 3 H THR 3 3.260 7.151 -3.164
18 HA THR 3 HA THR 3 0.832 6.062 -1.941
19 HB THR 3 HB THR 3 1.961 5.284 -4.653
20 HG1 THR 3 1HG THR 3 1.072 7.236 -4.932
21 HG21 THR 3 1HG2 THR 3 -0.162 4.064 -4.906
22 HG22 THR 3 2HG2 THR 3 -0.649 4.570 -3.288
23 HG23 THR 3 3HG2 THR 3 0.729 3.488 -3.497
24 H TRP 4 H TRP 4 1.184 4.211 -0.815
25 HA TRP 4 HA TRP 4 3.850 2.976 -1.032
26 HB2 TRP 4 2HB TRP 4 2.047 3.158 1.389
27 HB3 TRP 4 1HB TRP 4 3.604 2.346 1.332
28 HD1 TRP 4 HD TRP 4 2.038 5.682 1.941
29 HE1 TRP 4 1HE TRP 4 3.879 7.435 2.399
30 HE3 TRP 4 3HE TRP 4 6.118 2.975 0.496
31 HZ2 TRP 4 2HZ TRP 4 6.674 7.628 2.169
32 HZ3 TRP 4 3HZ TRP 4 8.338 4.023 0.636
33 HH2 TRP 4 HH TRP 4 8.600 6.304 1.457
34 H CYS 5 H CYS 5 3.659 1.086 -2.048
35 HA CYS 5 HA CYS 5 1.215 -0.472 -1.633
36 HB2 CYS 5 2HB CYS 5 3.266 -0.669 -3.846
37 HB3 CYS 5 1HB CYS 5 1.830 -1.674 -3.696
38 H VAL 6 H VAL 6 1.330 -2.078 -0.312
39 HA VAL 6 HA VAL 6 3.814 -3.603 -0.141
40 HB VAL 6 HB VAL 6 3.288 -4.045 2.302
41 HG11 VAL 6 1HG1 VAL 6 5.039 -2.471 1.674
42 HG12 VAL 6 2HG1 VAL 6 4.198 -1.923 3.124
43 HG13 VAL 6 3HG1 VAL 6 3.849 -1.173 1.564
44 HG21 VAL 6 1HG2 VAL 6 0.938 -3.399 2.328
45 HG22 VAL 6 2HG2 VAL 6 1.370 -1.741 1.912
46 HG23 VAL 6 3HG2 VAL 6 1.847 -2.408 3.473
47 H ARG 7 H ARG 7 3.570 -5.781 -0.102
48 HA ARG 7 HA ARG 7 0.860 -6.641 -0.672
49 HB2 ARG 7 2HB ARG 7 2.542 -7.184 -2.390
50 HB3 ARG 7 1HB ARG 7 3.428 -8.137 -1.204
51 HG2 ARG 7 2HG ARG 7 1.536 -9.638 -0.958
52 HG3 ARG 7 1HG ARG 7 0.602 -8.671 -2.094
53 HD2 ARG 7 2HD ARG 7 1.489 -10.650 -3.179
54 HD3 ARG 7 1HD ARG 7 2.218 -9.195 -3.851
55 HE ARG 7 HE ARG 7 4.233 -9.729 -2.811
56 HH11 ARG 7 1HH1 ARG 7 1.817 -12.159 -1.908
57 HH12 ARG 7 2HH1 ARG 7 2.920 -13.447 -1.852
58 HH21 ARG 7 1HH2 ARG 7 5.769 -11.504 -2.689
59 HH22 ARG 7 2HH2 ARG 7 5.217 -13.061 -2.272
60 H ILE 8 H ILE 8 -0.253 -7.429 0.837
61 HA ILE 8 HA ILE 8 1.053 -8.738 3.086
62 HB ILE 8 HB ILE 8 -1.784 -7.677 2.819
63 HG12 ILE 8 2HG1 ILE 8 -0.225 -5.813 2.788
64 HG13 ILE 8 1HG1 ILE 8 -1.047 -5.850 4.339
65 HG21 ILE 8 1HG2 ILE 8 -1.928 -7.976 5.248
66 HG22 ILE 8 2HG2 ILE 8 -0.303 -8.658 5.255
67 HG23 ILE 8 3HG2 ILE 8 -1.609 -9.503 4.424
68 HD11 ILE 8 1HD1 ILE 8 1.754 -6.816 3.784
69 HD12 ILE 8 2HD1 ILE 8 0.935 -6.889 5.344
70 HD13 ILE 8 3HD1 ILE 8 1.301 -5.325 4.612
71 HA DPR 9 HA DPR 9 -0.991 -12.669 2.248
72 HB2 DPR 9 1HB DPR 9 1.730 -13.230 1.157
73 HB3 DPR 9 2HB DPR 9 0.763 -14.183 2.288
74 HG2 DPR 9 1HG DPR 9 2.839 -12.763 3.152
75 HG3 DPR 9 2HG DPR 9 1.341 -12.842 4.098
76 HD2 DPR 9 1HD DPR 9 2.380 -10.636 2.369
77 HD3 DPR 9 2HD DPR 9 1.517 -10.559 3.919
78 HA PRO 10 HA PRO 10 -1.024 -12.806 -2.271
79 HB2 PRO 10 2HB PRO 10 -3.533 -13.609 -2.593
80 HB3 PRO 10 1HB PRO 10 -2.317 -14.709 -1.936
81 HG2 PRO 10 2HG PRO 10 -4.466 -13.199 -0.519
82 HG3 PRO 10 1HG PRO 10 -3.852 -14.829 -0.202
83 HD2 PRO 10 2HD PRO 10 -3.116 -12.491 1.169
84 HD3 PRO 10 1HD PRO 10 -2.249 -14.042 1.207
85 H THR 11 H THR 11 -2.090 -10.435 -0.327
86 HA THR 11 HA THR 11 -3.552 -9.098 -2.481
87 HB THR 11 HB THR 11 -4.712 -7.876 -0.457
88 HG1 THR 11 1HG THR 11 -3.295 -9.364 0.962
89 HG21 THR 11 1HG2 THR 11 -5.886 -9.188 -2.173
90 HG22 THR 11 2HG2 THR 11 -6.541 -9.533 -0.574
91 HG23 THR 11 3HG2 THR 11 -5.446 -10.679 -1.342
92 H VAL 12 H VAL 12 -2.663 -7.280 -3.176
93 HA VAL 12 HA VAL 12 -0.668 -6.024 -1.476
94 HB VAL 12 HB VAL 12 0.137 -6.626 -3.718
95 HG11 VAL 12 1HG1 VAL 12 -2.002 -4.803 -4.792
96 HG12 VAL 12 2HG1 VAL 12 -1.905 -6.555 -4.987
97 HG13 VAL 12 3HG1 VAL 12 -0.697 -5.516 -5.741
98 HG21 VAL 12 1HG2 VAL 12 1.035 -4.440 -4.437
99 HG22 VAL 12 2HG2 VAL 12 1.148 -4.674 -2.694
100 HG23 VAL 12 3HG2 VAL 12 -0.112 -3.638 -3.364
101 H ARG 13 H ARG 13 -0.935 -4.133 -0.569
102 HA ARG 13 HA ARG 13 -3.383 -2.693 -1.296
103 HB2 ARG 13 2HB ARG 13 -1.947 -2.687 1.356
104 HB3 ARG 13 1HB ARG 13 -3.393 -1.779 0.968
105 HG2 ARG 13 2HG ARG 13 -4.553 -3.962 0.588
106 HG3 ARG 13 1HG ARG 13 -3.111 -4.758 1.229
107 HD2 ARG 13 2HD ARG 13 -4.859 -2.759 2.647
108 HD3 ARG 13 1HD ARG 13 -4.729 -4.478 2.998
109 HE ARG 13 HE ARG 13 -2.293 -3.894 3.471
110 HH11 ARG 13 1HH1 ARG 13 -5.075 -1.815 4.220
111 HH12 ARG 13 2HH1 ARG 13 -4.277 -0.968 5.450
112 HH21 ARG 13 1HH2 ARG 13 -1.208 -2.679 5.228
113 HH22 ARG 13 2HH2 ARG 13 -2.082 -1.482 6.049
114 H CYS 14 H CYS 14 -3.117 -0.760 -2.094
115 HA CYS 14 HA CYS 14 -0.537 0.518 -1.707
116 HB2 CYS 14 2HB CYS 14 -2.598 0.859 -3.880
117 HB3 CYS 14 1HB CYS 14 -1.198 1.913 -3.698
118 H THR 15 H THR 15 -0.591 1.771 -0.103
119 HA THR 15 HA THR 15 -3.014 3.056 0.761
120 HB THR 15 HB THR 15 -0.216 3.246 1.886
121 HG1 THR 15 1HG THR 15 -0.584 1.360 2.956
122 HG21 THR 15 1HG2 THR 15 -2.942 3.538 3.162
123 HG22 THR 15 2HG2 THR 15 -1.860 4.865 2.742
124 HG23 THR 15 3HG2 THR 15 -1.394 3.709 3.991
125 H VAL 16 H VAL 16 -3.471 4.951 -0.134
126 HA VAL 16 HA VAL 16 -1.340 6.484 -1.345
127 HB VAL 16 HB VAL 16 -3.245 6.150 -2.803
128 HG11 VAL 16 1HG1 VAL 16 -5.464 7.051 -2.325
129 HG12 VAL 16 2HG1 VAL 16 -4.942 7.443 -0.684
130 HG13 VAL 16 3HG1 VAL 16 -4.999 5.760 -1.222
131 HG21 VAL 16 1HG2 VAL 16 -3.174 9.003 -1.835
132 HG22 VAL 16 2HG2 VAL 16 -3.827 8.460 -3.384
133 HG23 VAL 16 3HG2 VAL 16 -2.110 8.260 -3.028
134 H ARG 17 H ARG 17 -0.371 7.997 -0.287
135 HA ARG 17 HA ARG 17 -1.856 9.344 1.831
136 HB2 ARG 17 2HB ARG 17 1.121 8.777 1.763
137 HB3 ARG 17 1HB ARG 17 0.263 9.641 3.025
138 HG2 ARG 17 2HG ARG 17 0.024 6.715 2.341
139 HG3 ARG 17 1HG ARG 17 0.760 7.417 3.781
140 HD2 ARG 17 2HD ARG 17 -2.162 7.508 3.014
141 HD3 ARG 17 1HD ARG 17 -1.446 6.536 4.291
142 HE ARG 17 HE ARG 17 -0.814 9.180 4.809
143 HH11 ARG 17 1HH1 ARG 17 -3.715 7.148 4.623
144 HH12 ARG 17 2HH1 ARG 17 -4.602 8.035 5.763
145 HH21 ARG 17 1HH2 ARG 17 -2.092 10.490 6.348
146 HH22 ARG 17 2HH2 ARG 17 -3.669 9.989 6.736
147 HA DPR 18 HA DPR 18 -0.792 13.285 0.074
148 HB2 DPR 18 1HB DPR 18 -3.199 12.814 -1.611
149 HB3 DPR 18 2HB DPR 18 -2.818 14.193 -0.579
150 HG2 DPR 18 1HG DPR 18 -4.638 12.408 0.158
151 HG3 DPR 18 2HG DPR 18 -3.527 13.113 1.344
152 HD2 DPR 18 1HD DPR 18 -3.486 10.410 0.076
153 HD3 DPR 18 2HD DPR 18 -3.086 10.904 1.734
Start of MODEL 6
1 HA PRO 1 HA PRO 1 1.003 12.128 -4.606
2 HB2 PRO 1 2HB PRO 1 3.591 12.681 -4.854
3 HB3 PRO 1 1HB PRO 1 2.395 13.975 -4.701
4 HG2 PRO 1 2HG PRO 1 4.306 12.919 -2.675
5 HG3 PRO 1 1HG PRO 1 3.725 14.572 -2.917
6 HD2 PRO 1 2HD PRO 1 2.754 12.717 -1.025
7 HD3 PRO 1 1HD PRO 1 1.993 14.252 -1.487
8 H VAL 2 H VAL 2 1.713 10.378 -1.904
9 HA VAL 2 HA VAL 2 3.506 8.562 -3.358
10 HB VAL 2 HB VAL 2 3.314 8.787 -0.355
11 HG11 VAL 2 1HG1 VAL 2 4.096 6.626 -1.130
12 HG12 VAL 2 2HG1 VAL 2 5.408 7.515 -0.358
13 HG13 VAL 2 3HG1 VAL 2 5.332 7.405 -2.116
14 HG21 VAL 2 1HG2 VAL 2 5.382 9.978 -2.194
15 HG22 VAL 2 2HG2 VAL 2 5.456 9.975 -0.428
16 HG23 VAL 2 3HG2 VAL 2 4.188 10.873 -1.259
17 H THR 3 H THR 3 2.734 6.622 -3.778
18 HA THR 3 HA THR 3 0.368 5.688 -2.346
19 HB THR 3 HB THR 3 1.637 4.580 -4.875
20 HG1 THR 3 1HG THR 3 0.632 6.778 -4.865
21 HG21 THR 3 1HG2 THR 3 -1.070 4.083 -3.608
22 HG22 THR 3 2HG2 THR 3 0.277 2.945 -3.626
23 HG23 THR 3 3HG2 THR 3 -0.509 3.407 -5.138
24 H TRP 4 H TRP 4 0.861 4.567 -0.597
25 HA TRP 4 HA TRP 4 3.374 3.127 -0.389
26 HB2 TRP 4 2HB TRP 4 1.157 3.566 1.624
27 HB3 TRP 4 1HB TRP 4 2.726 2.850 1.960
28 HD1 TRP 4 HD TRP 4 1.060 6.226 1.258
29 HE1 TRP 4 1HE TRP 4 2.712 8.118 1.999
30 HE3 TRP 4 3HE TRP 4 5.175 3.394 2.296
31 HZ2 TRP 4 2HZ TRP 4 5.335 8.329 2.895
32 HZ3 TRP 4 3HZ TRP 4 7.213 4.519 3.087
33 HH2 TRP 4 HH TRP 4 7.285 6.935 3.376
34 H CYS 5 H CYS 5 3.286 1.156 -1.325
35 HA CYS 5 HA CYS 5 0.841 -0.398 -0.967
36 HB2 CYS 5 2HB CYS 5 3.035 -0.701 -3.013
37 HB3 CYS 5 1HB CYS 5 1.673 -1.801 -2.843
38 H VAL 6 H VAL 6 0.864 -1.692 0.638
39 HA VAL 6 HA VAL 6 3.311 -3.172 1.239
40 HB VAL 6 HB VAL 6 2.405 -1.903 3.180
41 HG11 VAL 6 1HG1 VAL 6 0.251 -2.461 4.194
42 HG12 VAL 6 2HG1 VAL 6 -0.094 -3.538 2.847
43 HG13 VAL 6 3HG1 VAL 6 0.063 -1.802 2.566
44 HG21 VAL 6 1HG2 VAL 6 3.542 -4.001 3.668
45 HG22 VAL 6 2HG2 VAL 6 2.023 -4.879 3.492
46 HG23 VAL 6 3HG2 VAL 6 2.229 -3.732 4.815
47 H ARG 7 H ARG 7 3.210 -5.453 1.199
48 HA ARG 7 HA ARG 7 0.716 -6.397 0.038
49 HB2 ARG 7 2HB ARG 7 1.950 -8.023 -1.323
50 HB3 ARG 7 1HB ARG 7 2.410 -6.373 -1.697
51 HG2 ARG 7 2HG ARG 7 4.455 -6.654 -0.383
52 HG3 ARG 7 1HG ARG 7 3.975 -8.316 -0.026
53 HD2 ARG 7 2HD ARG 7 3.977 -8.785 -2.451
54 HD3 ARG 7 1HD ARG 7 4.569 -7.148 -2.739
55 HE ARG 7 HE ARG 7 6.216 -8.494 -0.897
56 HH11 ARG 7 1HH1 ARG 7 5.540 -8.363 -4.392
57 HH12 ARG 7 2HH1 ARG 7 7.042 -8.987 -4.837
58 HH21 ARG 7 1HH2 ARG 7 8.305 -9.337 -1.534
59 HH22 ARG 7 2HH2 ARG 7 8.645 -9.567 -3.181
60 H ILE 8 H ILE 8 -0.276 -7.912 0.941
61 HA ILE 8 HA ILE 8 1.007 -9.453 3.068
62 HB ILE 8 HB ILE 8 -1.974 -8.967 2.596
63 HG12 ILE 8 2HG1 ILE 8 -1.867 -7.783 4.881
64 HG13 ILE 8 1HG1 ILE 8 -0.127 -7.736 4.666
65 HG21 ILE 8 1HG2 ILE 8 -2.305 -10.031 4.792
66 HG22 ILE 8 2HG2 ILE 8 -0.589 -10.443 4.817
67 HG23 ILE 8 3HG2 ILE 8 -1.640 -11.109 3.569
68 HD11 ILE 8 1HD1 ILE 8 -1.152 -5.617 4.076
69 HD12 ILE 8 2HD1 ILE 8 -2.175 -6.423 2.884
70 HD13 ILE 8 3HD1 ILE 8 -0.429 -6.370 2.653
71 HA DPR 9 HA DPR 9 0.297 -13.224 0.691
72 HB2 DPR 9 1HB DPR 9 2.903 -12.464 -0.536
73 HB3 DPR 9 2HB DPR 9 2.429 -13.991 0.213
74 HG2 DPR 9 1HG DPR 9 4.064 -12.323 1.463
75 HG3 DPR 9 2HG DPR 9 2.817 -13.219 2.348
76 HD2 DPR 9 1HD DPR 9 2.867 -10.353 1.517
77 HD3 DPR 9 2HD DPR 9 2.239 -11.094 3.003
78 HA PRO 10 HA PRO 10 -0.240 -11.864 -3.592
79 HB2 PRO 10 2HB PRO 10 -2.625 -12.932 -4.032
80 HB3 PRO 10 1HB PRO 10 -1.194 -13.955 -3.843
81 HG2 PRO 10 2HG PRO 10 -3.323 -13.300 -1.848
82 HG3 PRO 10 1HG PRO 10 -2.581 -14.868 -2.207
83 HD2 PRO 10 2HD PRO 10 -1.846 -13.255 -0.113
84 HD3 PRO 10 1HD PRO 10 -0.769 -14.446 -0.877
85 H THR 11 H THR 11 -1.769 -10.688 -0.846
86 HA THR 11 HA THR 11 -3.629 -9.049 -2.378
87 HB THR 11 HB THR 11 -3.361 -9.368 0.601
88 HG1 THR 11 1HG THR 11 -4.685 -10.803 -1.379
89 HG21 THR 11 1HG2 THR 11 -4.445 -7.263 -0.061
90 HG22 THR 11 2HG2 THR 11 -5.617 -8.351 0.685
91 HG23 THR 11 3HG2 THR 11 -5.585 -8.157 -1.065
92 H VAL 12 H VAL 12 -3.128 -6.997 -2.749
93 HA VAL 12 HA VAL 12 -0.922 -5.832 -1.228
94 HB VAL 12 HB VAL 12 -0.565 -4.244 -3.075
95 HG11 VAL 12 1HG1 VAL 12 -0.547 -7.112 -3.979
96 HG12 VAL 12 2HG1 VAL 12 0.723 -6.285 -3.080
97 HG13 VAL 12 3HG1 VAL 12 0.354 -5.798 -4.736
98 HG21 VAL 12 1HG2 VAL 12 -2.736 -5.784 -4.511
99 HG22 VAL 12 2HG2 VAL 12 -1.688 -4.587 -5.262
100 HG23 VAL 12 3HG2 VAL 12 -2.813 -4.103 -3.993
101 H ARG 13 H ARG 13 -1.161 -3.954 -0.226
102 HA ARG 13 HA ARG 13 -3.767 -2.652 -0.398
103 HB2 ARG 13 2HB ARG 13 -3.648 -3.796 1.735
104 HB3 ARG 13 1HB ARG 13 -2.051 -3.138 2.044
105 HG2 ARG 13 2HG ARG 13 -2.955 -0.925 2.321
106 HG3 ARG 13 1HG ARG 13 -4.555 -1.480 1.825
107 HD2 ARG 13 2HD ARG 13 -3.066 -2.497 4.240
108 HD3 ARG 13 1HD ARG 13 -4.298 -1.236 4.287
109 HE ARG 13 HE ARG 13 -5.614 -3.164 3.066
110 HH11 ARG 13 1HH1 ARG 13 -3.579 -3.398 5.962
111 HH12 ARG 13 2HH1 ARG 13 -4.569 -4.573 6.700
112 HH21 ARG 13 1HH2 ARG 13 -6.919 -4.837 4.092
113 HH22 ARG 13 2HH2 ARG 13 -6.459 -5.417 5.622
114 H CYS 14 H CYS 14 -3.406 -0.932 -1.516
115 HA CYS 14 HA CYS 14 -0.948 0.570 -1.106
116 HB2 CYS 14 2HB CYS 14 -2.893 0.535 -3.408
117 HB3 CYS 14 1HB CYS 14 -1.526 1.632 -3.288
118 H THR 15 H THR 15 -1.197 2.073 0.318
119 HA THR 15 HA THR 15 -3.700 3.566 0.427
120 HB THR 15 HB THR 15 -1.344 3.636 2.308
121 HG1 THR 15 1HG THR 15 -2.700 2.269 3.626
122 HG21 THR 15 1HG2 THR 15 -4.211 4.552 2.647
123 HG22 THR 15 2HG2 THR 15 -2.818 5.602 2.415
124 HG23 THR 15 3HG2 THR 15 -2.959 4.639 3.886
125 H VAL 16 H VAL 16 -3.667 5.364 -0.744
126 HA VAL 16 HA VAL 16 -1.090 6.539 -1.356
127 HB VAL 16 HB VAL 16 -2.412 6.084 -3.339
128 HG11 VAL 16 1HG1 VAL 16 -4.643 6.161 -2.450
129 HG12 VAL 16 2HG1 VAL 16 -4.505 7.252 -3.830
130 HG13 VAL 16 3HG1 VAL 16 -4.512 7.901 -2.190
131 HG21 VAL 16 1HG2 VAL 16 -0.941 8.011 -3.429
132 HG22 VAL 16 2HG2 VAL 16 -2.227 9.047 -2.811
133 HG23 VAL 16 3HG2 VAL 16 -2.384 8.299 -4.402
134 H ARG 17 H ARG 17 -0.344 8.035 -0.253
135 HA ARG 17 HA ARG 17 -2.174 9.902 1.046
136 HB2 ARG 17 2HB ARG 17 0.424 8.795 2.135
137 HB3 ARG 17 1HB ARG 17 -0.531 10.061 2.897
138 HG2 ARG 17 2HG ARG 17 -2.407 8.487 3.117
139 HG3 ARG 17 1HG ARG 17 -1.403 7.227 2.402
140 HD2 ARG 17 2HD ARG 17 -0.803 8.713 4.948
141 HD3 ARG 17 1HD ARG 17 -1.469 7.086 4.846
142 HE ARG 17 HE ARG 17 0.899 7.137 3.389
143 HH11 ARG 17 1HH1 ARG 17 -0.125 7.472 6.749
144 HH12 ARG 17 2HH1 ARG 17 1.314 6.814 7.391
145 HH21 ARG 17 1HH2 ARG 17 2.878 6.294 4.274
146 HH22 ARG 17 2HH2 ARG 17 3.060 6.167 5.960
147 HA DPR 18 HA DPR 18 0.579 13.177 -0.243
148 HB2 DPR 18 1HB DPR 18 -1.291 14.458 -1.790
149 HB3 DPR 18 2HB DPR 18 -1.191 14.662 -0.036
150 HG2 DPR 18 1HG DPR 18 -3.013 12.924 -1.648
151 HG3 DPR 18 2HG DPR 18 -3.382 13.913 -0.226
152 HD2 DPR 18 1HD DPR 18 -3.025 11.256 -0.097
153 HD3 DPR 18 2HD DPR 18 -2.544 12.334 1.235
Start of MODEL 7
1 HA PRO 1 HA PRO 1 -0.445 12.275 -3.865
2 HB2 PRO 1 2HB PRO 1 1.832 13.460 -4.536
3 HB3 PRO 1 1HB PRO 1 0.454 14.414 -3.970
4 HG2 PRO 1 2HG PRO 1 2.957 13.675 -2.537
5 HG3 PRO 1 1HG PRO 1 1.979 15.144 -2.405
6 HD2 PRO 1 2HD PRO 1 1.913 12.899 -0.675
7 HD3 PRO 1 1HD PRO 1 0.779 14.267 -0.701
8 H VAL 2 H VAL 2 1.257 10.572 -1.601
9 HA VAL 2 HA VAL 2 2.995 9.295 -3.609
10 HB VAL 2 HB VAL 2 3.367 9.247 -0.612
11 HG11 VAL 2 1HG1 VAL 2 5.192 8.368 -2.836
12 HG12 VAL 2 2HG1 VAL 2 4.328 7.321 -1.711
13 HG13 VAL 2 3HG1 VAL 2 5.607 8.384 -1.122
14 HG21 VAL 2 1HG2 VAL 2 3.706 11.515 -1.443
15 HG22 VAL 2 2HG2 VAL 2 4.839 10.915 -2.656
16 HG23 VAL 2 3HG2 VAL 2 5.235 10.798 -0.941
17 H THR 3 H THR 3 2.680 7.222 -4.076
18 HA THR 3 HA THR 3 0.629 5.791 -2.586
19 HB THR 3 HB THR 3 1.826 5.205 -5.305
20 HG1 THR 3 1HG THR 3 0.575 7.131 -5.257
21 HG21 THR 3 1HG2 THR 3 -0.083 3.675 -5.551
22 HG22 THR 3 2HG2 THR 3 -0.615 4.073 -3.916
23 HG23 THR 3 3HG2 THR 3 0.908 3.220 -4.165
24 H TRP 4 H TRP 4 1.366 4.450 -1.080
25 HA TRP 4 HA TRP 4 3.962 3.117 -1.393
26 HB2 TRP 4 2HB TRP 4 2.149 3.435 1.020
27 HB3 TRP 4 1HB TRP 4 3.720 2.650 1.025
28 HD1 TRP 4 HD TRP 4 2.142 6.158 0.669
29 HE1 TRP 4 1HE TRP 4 3.936 7.904 1.337
30 HE3 TRP 4 3HE TRP 4 6.115 3.038 1.249
31 HZ2 TRP 4 2HZ TRP 4 6.652 7.928 2.002
32 HZ3 TRP 4 3HZ TRP 4 8.286 3.988 1.905
33 HH2 TRP 4 HH TRP 4 8.547 6.384 2.275
34 H CYS 5 H CYS 5 3.768 1.034 -2.165
35 HA CYS 5 HA CYS 5 1.192 -0.263 -1.679
36 HB2 CYS 5 2HB CYS 5 3.226 -0.904 -3.824
37 HB3 CYS 5 1HB CYS 5 1.698 -1.743 -3.590
38 H VAL 6 H VAL 6 1.083 -1.576 -0.106
39 HA VAL 6 HA VAL 6 3.486 -3.006 0.736
40 HB VAL 6 HB VAL 6 2.534 -1.524 2.454
41 HG11 VAL 6 1HG1 VAL 6 0.020 -3.159 2.249
42 HG12 VAL 6 2HG1 VAL 6 0.220 -1.467 1.795
43 HG13 VAL 6 3HG1 VAL 6 0.356 -1.948 3.487
44 HG21 VAL 6 1HG2 VAL 6 2.295 -3.144 4.301
45 HG22 VAL 6 2HG2 VAL 6 3.655 -3.520 3.241
46 HG23 VAL 6 3HG2 VAL 6 2.157 -4.444 3.115
47 H ARG 7 H ARG 7 3.509 -5.186 0.792
48 HA ARG 7 HA ARG 7 1.234 -6.493 -0.422
49 HB2 ARG 7 2HB ARG 7 2.705 -8.468 -0.650
50 HB3 ARG 7 1HB ARG 7 3.375 -7.038 -1.411
51 HG2 ARG 7 2HG ARG 7 4.891 -6.736 0.477
52 HG3 ARG 7 1HG ARG 7 4.197 -8.156 1.264
53 HD2 ARG 7 2HD ARG 7 4.919 -9.537 -0.609
54 HD3 ARG 7 1HD ARG 7 5.608 -8.118 -1.397
55 HE ARG 7 HE ARG 7 6.758 -8.241 1.096
56 HH11 ARG 7 1HH1 ARG 7 6.597 -10.412 -1.691
57 HH12 ARG 7 2HH1 ARG 7 8.143 -11.062 -1.443
58 HH21 ARG 7 1HH2 ARG 7 8.887 -9.140 1.432
59 HH22 ARG 7 2HH2 ARG 7 9.474 -10.333 0.380
60 H ILE 8 H ILE 8 -0.235 -7.474 0.682
61 HA ILE 8 HA ILE 8 0.385 -8.416 3.390
62 HB ILE 8 HB ILE 8 -2.305 -7.517 2.290
63 HG12 ILE 8 2HG1 ILE 8 -0.512 -6.056 4.252
64 HG13 ILE 8 1HG1 ILE 8 -0.682 -5.632 2.553
65 HG21 ILE 8 1HG2 ILE 8 -2.508 -9.191 4.035
66 HG22 ILE 8 2HG2 ILE 8 -3.021 -7.623 4.661
67 HG23 ILE 8 3HG2 ILE 8 -1.436 -8.269 5.084
68 HD11 ILE 8 1HD1 ILE 8 -2.010 -4.176 3.971
69 HD12 ILE 8 2HD1 ILE 8 -2.870 -5.573 4.622
70 HD13 ILE 8 3HD1 ILE 8 -3.047 -5.141 2.922
71 HA DPR 9 HA DPR 9 -1.106 -12.488 2.283
72 HB2 DPR 9 1HB DPR 9 1.318 -13.514 1.387
73 HB3 DPR 9 2HB DPR 9 0.803 -13.493 3.076
74 HG2 DPR 9 1HG DPR 9 2.602 -11.617 1.610
75 HG3 DPR 9 2HG DPR 9 2.744 -12.246 3.259
76 HD2 DPR 9 1HD DPR 9 1.875 -9.766 2.790
77 HD3 DPR 9 2HD DPR 9 1.174 -10.753 4.092
78 HA PRO 10 HA PRO 10 -0.964 -12.933 -2.176
79 HB2 PRO 10 2HB PRO 10 -3.567 -13.400 -2.579
80 HB3 PRO 10 1HB PRO 10 -2.530 -14.596 -1.794
81 HG2 PRO 10 2HG PRO 10 -4.509 -12.720 -0.583
82 HG3 PRO 10 1HG PRO 10 -4.134 -14.392 -0.141
83 HD2 PRO 10 2HD PRO 10 -3.162 -12.123 1.148
84 HD3 PRO 10 1HD PRO 10 -2.462 -13.749 1.265
85 H THR 11 H THR 11 -2.326 -10.404 -0.421
86 HA THR 11 HA THR 11 -3.300 -9.076 -2.861
87 HB THR 11 HB THR 11 -4.698 -7.699 -1.279
88 HG1 THR 11 1HG THR 11 -3.249 -8.983 0.530
89 HG21 THR 11 1HG2 THR 11 -5.668 -9.550 -2.572
90 HG22 THR 11 2HG2 THR 11 -6.405 -9.463 -0.973
91 HG23 THR 11 3HG2 THR 11 -5.183 -10.687 -1.317
92 H VAL 12 H VAL 12 -2.302 -7.211 -3.450
93 HA VAL 12 HA VAL 12 -0.486 -6.037 -1.490
94 HB VAL 12 HB VAL 12 -0.553 -5.577 -4.497
95 HG11 VAL 12 1HG1 VAL 12 1.656 -4.539 -4.160
96 HG12 VAL 12 2HG1 VAL 12 1.488 -4.771 -2.419
97 HG13 VAL 12 3HG1 VAL 12 0.387 -3.691 -3.276
98 HG21 VAL 12 1HG2 VAL 12 1.487 -6.947 -4.597
99 HG22 VAL 12 2HG2 VAL 12 0.109 -7.875 -4.008
100 HG23 VAL 12 3HG2 VAL 12 1.330 -7.296 -2.875
101 H ARG 13 H ARG 13 -1.044 -4.212 -0.595
102 HA ARG 13 HA ARG 13 -3.396 -2.804 -1.639
103 HB2 ARG 13 2HB ARG 13 -3.753 -3.713 0.584
104 HB3 ARG 13 1HB ARG 13 -2.267 -2.985 1.161
105 HG2 ARG 13 2HG ARG 13 -4.195 -1.740 1.960
106 HG3 ARG 13 1HG ARG 13 -3.238 -0.754 0.859
107 HD2 ARG 13 2HD ARG 13 -4.828 -1.295 -0.954
108 HD3 ARG 13 1HD ARG 13 -5.802 -2.204 0.203
109 HE ARG 13 HE ARG 13 -5.434 0.351 1.231
110 HH11 ARG 13 1HH1 ARG 13 -7.093 -1.147 -1.516
111 HH12 ARG 13 2HH1 ARG 13 -8.239 0.091 -1.694
112 HH21 ARG 13 1HH2 ARG 13 -7.030 2.040 1.021
113 HH22 ARG 13 2HH2 ARG 13 -8.233 1.930 -0.175
114 H CYS 14 H CYS 14 -3.041 -0.898 -2.528
115 HA CYS 14 HA CYS 14 -0.554 0.432 -1.908
116 HB2 CYS 14 2HB CYS 14 -2.557 0.900 -4.110
117 HB3 CYS 14 1HB CYS 14 -1.122 1.892 -3.855
118 H THR 15 H THR 15 -0.599 1.569 -0.210
119 HA THR 15 HA THR 15 -2.977 2.999 0.574
120 HB THR 15 HB THR 15 -1.612 3.481 2.636
121 HG1 THR 15 1HG THR 15 0.407 3.059 1.252
122 HG21 THR 15 1HG2 THR 15 -1.659 1.195 3.501
123 HG22 THR 15 2HG2 THR 15 -1.726 0.573 1.851
124 HG23 THR 15 3HG2 THR 15 -3.075 1.507 2.491
125 H VAL 16 H VAL 16 -3.226 4.888 -0.379
126 HA VAL 16 HA VAL 16 -0.929 6.381 -1.299
127 HB VAL 16 HB VAL 16 -3.870 7.117 -1.518
128 HG11 VAL 16 1HG1 VAL 16 -3.142 8.639 -3.291
129 HG12 VAL 16 2HG1 VAL 16 -1.463 8.197 -2.975
130 HG13 VAL 16 3HG1 VAL 16 -2.400 9.037 -1.741
131 HG21 VAL 16 1HG2 VAL 16 -2.081 5.776 -3.548
132 HG22 VAL 16 2HG2 VAL 16 -3.736 6.314 -3.832
133 HG23 VAL 16 3HG2 VAL 16 -3.416 5.015 -2.683
134 H ARG 17 H ARG 17 0.050 7.697 -0.045
135 HA ARG 17 HA ARG 17 -1.382 8.952 2.179
136 HB2 ARG 17 2HB ARG 17 1.557 8.323 1.841
137 HB3 ARG 17 1HB ARG 17 0.866 9.163 3.224
138 HG2 ARG 17 2HG ARG 17 -0.410 7.169 3.797
139 HG3 ARG 17 1HG ARG 17 0.241 6.344 2.382
140 HD2 ARG 17 2HD ARG 17 2.492 6.557 3.296
141 HD3 ARG 17 1HD ARG 17 1.836 7.400 4.703
142 HE ARG 17 HE ARG 17 0.440 5.147 4.729
143 HH11 ARG 17 1HH1 ARG 17 3.936 5.633 4.409
144 HH12 ARG 17 2HH1 ARG 17 4.346 4.170 5.173
145 HH21 ARG 17 1HH2 ARG 17 1.004 3.171 5.816
146 HH22 ARG 17 2HH2 ARG 17 2.623 2.729 6.003
147 HA DPR 18 HA DPR 18 -0.167 12.934 0.595
148 HB2 DPR 18 1HB DPR 18 -2.659 13.643 -0.348
149 HB3 DPR 18 2HB DPR 18 -2.159 13.839 1.333
150 HG2 DPR 18 1HG DPR 18 -3.814 11.707 0.068
151 HG3 DPR 18 2HG DPR 18 -3.995 12.467 1.660
152 HD2 DPR 18 1HD DPR 18 -2.921 10.012 1.314
153 HD3 DPR 18 2HD DPR 18 -2.408 11.097 2.622
Start of MODEL 8
1 HA PRO 1 HA PRO 1 0.189 11.604 -4.567
2 HB2 PRO 1 2HB PRO 1 2.585 12.708 -4.854
3 HB3 PRO 1 1HB PRO 1 1.128 13.712 -4.846
4 HG2 PRO 1 2HG PRO 1 3.131 13.265 -2.677
5 HG3 PRO 1 1HG PRO 1 2.290 14.756 -3.130
6 HD2 PRO 1 2HD PRO 1 1.576 13.044 -1.040
7 HD3 PRO 1 1HD PRO 1 0.534 14.280 -1.774
8 H VAL 2 H VAL 2 1.405 10.666 -1.625
9 HA VAL 2 HA VAL 2 3.526 8.962 -2.684
10 HB VAL 2 HB VAL 2 2.616 9.402 0.185
11 HG11 VAL 2 1HG1 VAL 2 3.701 7.238 -0.119
12 HG12 VAL 2 2HG1 VAL 2 4.715 8.326 0.828
13 HG13 VAL 2 3HG1 VAL 2 5.084 8.032 -0.872
14 HG21 VAL 2 1HG2 VAL 2 3.556 11.439 -0.751
15 HG22 VAL 2 2HG2 VAL 2 4.984 10.557 -1.286
16 HG23 VAL 2 3HG2 VAL 2 4.661 10.744 0.438
17 H THR 3 H THR 3 3.190 6.813 -2.988
18 HA THR 3 HA THR 3 0.733 5.694 -1.888
19 HB THR 3 HB THR 3 1.700 5.312 -4.736
20 HG1 THR 3 1HG THR 3 0.326 7.237 -3.613
21 HG21 THR 3 1HG2 THR 3 0.565 3.318 -3.859
22 HG22 THR 3 2HG2 THR 3 -0.466 4.132 -5.039
23 HG23 THR 3 3HG2 THR 3 -0.782 4.309 -3.312
24 H TRP 4 H TRP 4 1.451 4.302 -0.473
25 HA TRP 4 HA TRP 4 3.837 2.714 -0.984
26 HB2 TRP 4 2HB TRP 4 2.065 2.840 1.458
27 HB3 TRP 4 1HB TRP 4 3.520 1.874 1.320
28 HD1 TRP 4 HD TRP 4 2.324 5.182 2.425
29 HE1 TRP 4 1HE TRP 4 4.330 6.690 3.029
30 HE3 TRP 4 3HE TRP 4 6.075 2.428 0.318
31 HZ2 TRP 4 2HZ TRP 4 7.125 6.709 2.636
32 HZ3 TRP 4 3HZ TRP 4 8.383 3.264 0.467
33 HH2 TRP 4 HH TRP 4 8.892 5.365 1.601
34 H CYS 5 H CYS 5 3.347 1.068 -2.334
35 HA CYS 5 HA CYS 5 0.944 -0.494 -1.798
36 HB2 CYS 5 2HB CYS 5 2.885 -0.599 -4.112
37 HB3 CYS 5 1HB CYS 5 1.492 -1.660 -3.937
38 H VAL 6 H VAL 6 1.220 -1.761 -0.179
39 HA VAL 6 HA VAL 6 3.711 -3.280 0.004
40 HB VAL 6 HB VAL 6 3.266 -1.841 1.949
41 HG11 VAL 6 1HG1 VAL 6 0.864 -1.694 1.887
42 HG12 VAL 6 2HG1 VAL 6 1.391 -2.261 3.474
43 HG13 VAL 6 3HG1 VAL 6 0.719 -3.400 2.308
44 HG21 VAL 6 1HG2 VAL 6 2.960 -4.775 2.583
45 HG22 VAL 6 2HG2 VAL 6 3.423 -3.527 3.739
46 HG23 VAL 6 3HG2 VAL 6 4.471 -3.889 2.370
47 H ARG 7 H ARG 7 3.658 -5.427 -0.197
48 HA ARG 7 HA ARG 7 1.165 -6.621 -0.896
49 HB2 ARG 7 2HB ARG 7 3.058 -7.315 -2.189
50 HB3 ARG 7 1HB ARG 7 3.951 -7.765 -0.741
51 HG2 ARG 7 2HG ARG 7 2.524 -9.639 -0.354
52 HG3 ARG 7 1HG ARG 7 1.410 -9.119 -1.618
53 HD2 ARG 7 2HD ARG 7 4.287 -9.819 -2.126
54 HD3 ARG 7 1HD ARG 7 2.972 -10.992 -2.247
55 HE ARG 7 HE ARG 7 2.013 -9.252 -3.850
56 HH11 ARG 7 1HH1 ARG 7 5.455 -10.105 -3.613
57 HH12 ARG 7 2HH1 ARG 7 5.795 -9.770 -5.234
58 HH21 ARG 7 1HH2 ARG 7 2.487 -8.799 -6.092
59 HH22 ARG 7 2HH2 ARG 7 4.074 -8.976 -6.673
60 H ILE 8 H ILE 8 -0.173 -7.161 0.476
61 HA ILE 8 HA ILE 8 0.659 -8.250 3.023
62 HB ILE 8 HB ILE 8 -0.695 -6.318 3.406
63 HG12 ILE 8 2HG1 ILE 8 -2.457 -8.762 3.713
64 HG13 ILE 8 1HG1 ILE 8 -1.261 -8.193 4.871
65 HG21 ILE 8 1HG2 ILE 8 -1.617 -6.018 1.233
66 HG22 ILE 8 2HG2 ILE 8 -2.935 -6.004 2.427
67 HG23 ILE 8 3HG2 ILE 8 -2.627 -7.448 1.444
68 HD11 ILE 8 1HD1 ILE 8 -3.748 -6.713 4.052
69 HD12 ILE 8 2HD1 ILE 8 -2.578 -6.191 5.268
70 HD13 ILE 8 3HD1 ILE 8 -3.541 -7.650 5.526
71 HA DPR 9 HA DPR 9 -1.454 -12.142 2.269
72 HB2 DPR 9 1HB DPR 9 1.357 -12.993 1.805
73 HB3 DPR 9 2HB DPR 9 0.158 -13.676 2.905
74 HG2 DPR 9 1HG DPR 9 2.206 -12.207 3.808
75 HG3 DPR 9 2HG DPR 9 0.601 -12.119 4.555
76 HD2 DPR 9 1HD DPR 9 1.929 -10.167 2.716
77 HD3 DPR 9 2HD DPR 9 0.810 -9.886 4.067
78 HA PRO 10 HA PRO 10 -0.593 -12.817 -2.135
79 HB2 PRO 10 2HB PRO 10 -3.021 -13.563 -2.854
80 HB3 PRO 10 1HB PRO 10 -2.049 -14.611 -1.811
81 HG2 PRO 10 2HG PRO 10 -4.318 -12.799 -1.089
82 HG3 PRO 10 1HG PRO 10 -3.938 -14.414 -0.471
83 HD2 PRO 10 2HD PRO 10 -3.291 -11.999 0.781
84 HD3 PRO 10 1HD PRO 10 -2.564 -13.581 1.137
85 H THR 11 H THR 11 -1.983 -10.263 -0.657
86 HA THR 11 HA THR 11 -3.010 -9.130 -3.148
87 HB THR 11 HB THR 11 -4.476 -7.683 -1.641
88 HG1 THR 11 1HG THR 11 -3.110 -8.944 0.257
89 HG21 THR 11 1HG2 THR 11 -6.175 -9.424 -1.366
90 HG22 THR 11 2HG2 THR 11 -4.953 -10.666 -1.635
91 HG23 THR 11 3HG2 THR 11 -5.385 -9.557 -2.936
92 H VAL 12 H VAL 12 -2.896 -6.716 -3.184
93 HA VAL 12 HA VAL 12 -0.498 -5.776 -1.791
94 HB VAL 12 HB VAL 12 -1.459 -4.965 -4.561
95 HG11 VAL 12 1HG1 VAL 12 0.651 -3.724 -4.713
96 HG12 VAL 12 2HG1 VAL 12 1.020 -4.159 -3.044
97 HG13 VAL 12 3HG1 VAL 12 -0.367 -3.128 -3.401
98 HG21 VAL 12 1HG2 VAL 12 0.573 -6.066 -5.400
99 HG22 VAL 12 2HG2 VAL 12 -0.501 -7.207 -4.590
100 HG23 VAL 12 3HG2 VAL 12 0.942 -6.619 -3.765
101 H ARG 13 H ARG 13 -0.876 -4.144 -0.487
102 HA ARG 13 HA ARG 13 -3.383 -2.682 -0.808
103 HB2 ARG 13 2HB ARG 13 -3.143 -3.838 1.350
104 HB3 ARG 13 1HB ARG 13 -1.638 -2.985 1.645
105 HG2 ARG 13 2HG ARG 13 -3.517 -2.017 2.905
106 HG3 ARG 13 1HG ARG 13 -2.826 -0.864 1.758
107 HD2 ARG 13 2HD ARG 13 -4.610 -1.336 0.181
108 HD3 ARG 13 1HD ARG 13 -5.297 -2.534 1.267
109 HE ARG 13 HE ARG 13 -5.085 0.008 2.503
110 HH11 ARG 13 1HH1 ARG 13 -7.006 -1.864 0.181
111 HH12 ARG 13 2HH1 ARG 13 -8.426 -0.965 0.402
112 HH21 ARG 13 1HH2 ARG 13 -7.062 1.266 2.796
113 HH22 ARG 13 2HH2 ARG 13 -8.468 0.856 1.938
114 H CYS 14 H CYS 14 -3.074 -0.898 -1.888
115 HA CYS 14 HA CYS 14 -0.604 0.585 -1.593
116 HB2 CYS 14 2HB CYS 14 -2.935 0.955 -3.475
117 HB3 CYS 14 1HB CYS 14 -1.496 1.970 -3.457
118 H THR 15 H THR 15 -0.457 1.808 0.005
119 HA THR 15 HA THR 15 -2.769 3.123 1.181
120 HB THR 15 HB THR 15 0.120 3.238 2.024
121 HG1 THR 15 1HG THR 15 -1.007 1.069 1.793
122 HG21 THR 15 1HG2 THR 15 -0.871 3.657 4.259
123 HG22 THR 15 2HG2 THR 15 -2.480 3.608 3.536
124 HG23 THR 15 3HG2 THR 15 -1.348 4.878 3.082
125 H VAL 16 H VAL 16 -3.268 5.022 0.309
126 HA VAL 16 HA VAL 16 -1.207 6.528 -1.092
127 HB VAL 16 HB VAL 16 -4.211 6.927 -1.168
128 HG11 VAL 16 1HG1 VAL 16 -2.987 8.940 -1.735
129 HG12 VAL 16 2HG1 VAL 16 -3.751 8.259 -3.174
130 HG13 VAL 16 3HG1 VAL 16 -2.024 8.043 -2.908
131 HG21 VAL 16 1HG2 VAL 16 -4.166 5.846 -3.351
132 HG22 VAL 16 2HG2 VAL 16 -3.576 4.742 -2.104
133 HG23 VAL 16 3HG2 VAL 16 -2.438 5.553 -3.181
134 H ARG 17 H ARG 17 -0.240 7.941 0.082
135 HA ARG 17 HA ARG 17 -1.745 9.576 2.016
136 HB2 ARG 17 2HB ARG 17 1.253 9.129 1.838
137 HB3 ARG 17 1HB ARG 17 0.422 10.088 3.045
138 HG2 ARG 17 2HG ARG 17 0.232 7.101 2.718
139 HG3 ARG 17 1HG ARG 17 1.179 7.962 3.929
140 HD2 ARG 17 2HD ARG 17 -0.960 8.966 4.755
141 HD3 ARG 17 1HD ARG 17 -1.810 7.876 3.653
142 HE ARG 17 HE ARG 17 0.073 6.655 5.465
143 HH11 ARG 17 1HH1 ARG 17 -3.324 7.407 4.820
144 HH12 ARG 17 2HH1 ARG 17 -3.952 6.314 5.954
145 HH21 ARG 17 1HH2 ARG 17 -0.774 5.123 7.054
146 HH22 ARG 17 2HH2 ARG 17 -2.445 4.975 7.264
147 HA DPR 18 HA DPR 18 -0.696 13.173 -0.416
148 HB2 DPR 18 1HB DPR 18 -2.978 13.258 -1.974
149 HB3 DPR 18 2HB DPR 18 -2.865 13.913 -0.335
150 HG2 DPR 18 1HG DPR 18 -3.980 11.302 -1.262
151 HG3 DPR 18 2HG DPR 18 -4.591 12.401 -0.012
152 HD2 DPR 18 1HD DPR 18 -3.247 10.160 0.588
153 HD3 DPR 18 2HD DPR 18 -3.089 11.634 1.565
Start of MODEL 9
1 HA PRO 1 HA PRO 1 0.315 12.088 -4.271
2 HB2 PRO 1 2HB PRO 1 2.770 12.953 -4.655
3 HB3 PRO 1 1HB PRO 1 1.476 14.101 -4.280
4 HG2 PRO 1 2HG PRO 1 3.639 13.041 -2.520
5 HG3 PRO 1 1HG PRO 1 2.936 14.666 -2.567
6 HD2 PRO 1 2HD PRO 1 2.250 12.597 -0.780
7 HD3 PRO 1 1HD PRO 1 1.341 14.099 -1.055
8 H VAL 2 H VAL 2 1.706 10.497 -1.647
9 HA VAL 2 HA VAL 2 3.407 8.834 -3.362
10 HB VAL 2 HB VAL 2 3.508 9.056 -0.341
11 HG11 VAL 2 1HG1 VAL 2 5.411 7.773 -2.296
12 HG12 VAL 2 2HG1 VAL 2 4.315 6.928 -1.205
13 HG13 VAL 2 3HG1 VAL 2 5.644 7.886 -0.552
14 HG21 VAL 2 1HG2 VAL 2 5.579 10.341 -0.654
15 HG22 VAL 2 2HG2 VAL 2 4.185 11.173 -1.346
16 HG23 VAL 2 3HG2 VAL 2 5.319 10.322 -2.396
17 H THR 3 H THR 3 2.670 6.865 -3.794
18 HA THR 3 HA THR 3 0.469 5.843 -2.173
19 HB THR 3 HB THR 3 1.384 4.905 -4.901
20 HG1 THR 3 1HG THR 3 0.684 7.169 -4.668
21 HG21 THR 3 1HG2 THR 3 -0.896 3.984 -5.027
22 HG22 THR 3 2HG2 THR 3 -1.241 4.606 -3.413
23 HG23 THR 3 3HG2 THR 3 -0.038 3.334 -3.629
24 H TRP 4 H TRP 4 1.136 4.494 -0.626
25 HA TRP 4 HA TRP 4 3.579 2.954 -0.996
26 HB2 TRP 4 2HB TRP 4 1.768 3.224 1.408
27 HB3 TRP 4 1HB TRP 4 3.272 2.322 1.368
28 HD1 TRP 4 HD TRP 4 1.962 5.523 2.419
29 HE1 TRP 4 1HE TRP 4 3.846 7.246 2.781
30 HE3 TRP 4 3HE TRP 4 5.745 3.110 -0.018
31 HZ2 TRP 4 2HZ TRP 4 6.585 7.533 2.107
32 HZ3 TRP 4 3HZ TRP 4 7.959 4.176 -0.116
33 HH2 TRP 4 HH TRP 4 8.360 6.343 0.925
34 H CYS 5 H CYS 5 3.470 0.963 -1.714
35 HA CYS 5 HA CYS 5 0.937 -0.463 -1.446
36 HB2 CYS 5 2HB CYS 5 3.082 -0.739 -3.552
37 HB3 CYS 5 1HB CYS 5 1.671 -1.782 -3.428
38 H VAL 6 H VAL 6 1.097 -1.596 0.312
39 HA VAL 6 HA VAL 6 3.531 -3.124 0.836
40 HB VAL 6 HB VAL 6 2.802 -1.708 2.699
41 HG11 VAL 6 1HG1 VAL 6 0.202 -3.220 2.659
42 HG12 VAL 6 2HG1 VAL 6 0.442 -1.524 2.241
43 HG13 VAL 6 3HG1 VAL 6 0.699 -2.067 3.899
44 HG21 VAL 6 1HG2 VAL 6 2.331 -4.629 3.288
45 HG22 VAL 6 2HG2 VAL 6 2.642 -3.385 4.499
46 HG23 VAL 6 3HG2 VAL 6 3.880 -3.785 3.308
47 H ARG 7 H ARG 7 3.558 -5.273 0.576
48 HA ARG 7 HA ARG 7 1.122 -6.506 -0.432
49 HB2 ARG 7 2HB ARG 7 3.202 -6.761 -1.730
50 HB3 ARG 7 1HB ARG 7 3.926 -7.605 -0.366
51 HG2 ARG 7 2HG ARG 7 2.152 -9.335 -0.559
52 HG3 ARG 7 1HG ARG 7 1.574 -8.520 -2.011
53 HD2 ARG 7 2HD ARG 7 4.321 -9.697 -1.608
54 HD3 ARG 7 1HD ARG 7 3.021 -10.415 -2.557
55 HE ARG 7 HE ARG 7 3.370 -7.944 -3.626
56 HH11 ARG 7 1HH1 ARG 7 5.498 -10.725 -3.096
57 HH12 ARG 7 2HH1 ARG 7 6.520 -10.379 -4.413
58 HH21 ARG 7 1HH2 ARG 7 4.755 -7.489 -5.451
59 HH22 ARG 7 2HH2 ARG 7 6.073 -8.514 -5.797
60 H ILE 8 H ILE 8 -0.163 -7.464 0.936
61 HA ILE 8 HA ILE 8 1.018 -8.976 3.142
62 HB ILE 8 HB ILE 8 -1.824 -7.922 2.824
63 HG12 ILE 8 2HG1 ILE 8 0.391 -7.070 4.712
64 HG13 ILE 8 1HG1 ILE 8 -0.191 -6.150 3.331
65 HG21 ILE 8 1HG2 ILE 8 -0.559 -9.412 5.133
66 HG22 ILE 8 2HG2 ILE 8 -1.776 -10.054 4.031
67 HG23 ILE 8 3HG2 ILE 8 -2.186 -8.731 5.123
68 HD11 ILE 8 1HD1 ILE 8 -1.058 -5.273 5.416
69 HD12 ILE 8 2HD1 ILE 8 -1.771 -6.840 5.800
70 HD13 ILE 8 3HD1 ILE 8 -2.366 -5.914 4.421
71 HA DPR 9 HA DPR 9 -0.637 -12.799 1.574
72 HB2 DPR 9 1HB DPR 9 1.681 -13.644 0.318
73 HB3 DPR 9 2HB DPR 9 1.320 -13.873 2.032
74 HG2 DPR 9 1HG DPR 9 2.999 -11.785 0.705
75 HG3 DPR 9 2HG DPR 9 3.289 -12.656 2.222
76 HD2 DPR 9 1HD DPR 9 2.387 -10.141 2.187
77 HD3 DPR 9 2HD DPR 9 1.846 -11.305 3.418
78 HA PRO 10 HA PRO 10 -0.925 -12.424 -2.905
79 HB2 PRO 10 2HB PRO 10 -3.533 -12.957 -3.119
80 HB3 PRO 10 1HB PRO 10 -2.377 -14.224 -2.697
81 HG2 PRO 10 2HG PRO 10 -4.253 -12.709 -0.938
82 HG3 PRO 10 1HG PRO 10 -3.809 -14.423 -0.886
83 HD2 PRO 10 2HD PRO 10 -2.741 -12.443 0.744
84 HD3 PRO 10 1HD PRO 10 -1.981 -14.013 0.413
85 H THR 11 H THR 11 -2.148 -10.351 -0.535
86 HA THR 11 HA THR 11 -3.394 -8.672 -2.587
87 HB THR 11 HB THR 11 -4.596 -7.581 -0.647
88 HG1 THR 11 1HG THR 11 -3.039 -9.070 0.782
89 HG21 THR 11 1HG2 THR 11 -6.326 -9.337 -0.575
90 HG22 THR 11 2HG2 THR 11 -5.176 -10.479 -1.275
91 HG23 THR 11 3HG2 THR 11 -5.720 -9.090 -2.214
92 H VAL 12 H VAL 12 -2.189 -7.014 -3.135
93 HA VAL 12 HA VAL 12 -0.481 -5.835 -1.125
94 HB VAL 12 HB VAL 12 0.568 -6.249 -3.322
95 HG11 VAL 12 1HG1 VAL 12 -1.497 -4.375 -4.434
96 HG12 VAL 12 2HG1 VAL 12 -1.312 -6.098 -4.787
97 HG13 VAL 12 3HG1 VAL 12 -0.076 -4.955 -5.298
98 HG21 VAL 12 1HG2 VAL 12 1.479 -4.007 -3.756
99 HG22 VAL 12 2HG2 VAL 12 1.418 -4.391 -2.034
100 HG23 VAL 12 3HG2 VAL 12 0.210 -3.318 -2.742
101 H ARG 13 H ARG 13 -0.886 -3.991 -0.184
102 HA ARG 13 HA ARG 13 -3.449 -2.736 -0.845
103 HB2 ARG 13 2HB ARG 13 -1.873 -2.527 1.727
104 HB3 ARG 13 1HB ARG 13 -3.499 -1.930 1.440
105 HG2 ARG 13 2HG ARG 13 -4.234 -4.291 1.106
106 HG3 ARG 13 1HG ARG 13 -2.615 -4.805 1.582
107 HD2 ARG 13 2HD ARG 13 -4.054 -4.940 3.497
108 HD3 ARG 13 1HD ARG 13 -2.935 -3.595 3.736
109 HE ARG 13 HE ARG 13 -5.364 -2.776 2.523
110 HH11 ARG 13 1HH1 ARG 13 -3.850 -3.367 5.676
111 HH12 ARG 13 2HH1 ARG 13 -5.070 -2.583 6.542
112 HH21 ARG 13 1HH2 ARG 13 -7.012 -1.724 3.704
113 HH22 ARG 13 2HH2 ARG 13 -6.939 -1.616 5.397
114 H CYS 14 H CYS 14 -3.163 -1.033 -2.063
115 HA CYS 14 HA CYS 14 -0.780 0.586 -1.718
116 HB2 CYS 14 2HB CYS 14 -2.850 0.514 -3.914
117 HB3 CYS 14 1HB CYS 14 -1.548 1.696 -3.840
118 H THR 15 H THR 15 -1.045 1.846 -0.103
119 HA THR 15 HA THR 15 -3.557 3.256 0.292
120 HB THR 15 HB THR 15 -1.080 3.342 2.007
121 HG1 THR 15 1HG THR 15 -1.480 1.358 2.446
122 HG21 THR 15 1HG2 THR 15 -4.008 3.807 2.551
123 HG22 THR 15 2HG2 THR 15 -2.748 5.041 2.463
124 HG23 THR 15 3HG2 THR 15 -2.735 3.851 3.766
125 H VAL 16 H VAL 16 -3.674 5.215 -0.686
126 HA VAL 16 HA VAL 16 -1.207 6.478 -1.442
127 HB VAL 16 HB VAL 16 -3.013 6.407 -3.125
128 HG11 VAL 16 1HG1 VAL 16 -4.961 7.899 -2.961
129 HG12 VAL 16 2HG1 VAL 16 -4.551 8.202 -1.271
130 HG13 VAL 16 3HG1 VAL 16 -4.981 6.576 -1.801
131 HG21 VAL 16 1HG2 VAL 16 -2.263 9.193 -2.266
132 HG22 VAL 16 2HG2 VAL 16 -2.910 8.759 -3.848
133 HG23 VAL 16 3HG2 VAL 16 -1.343 8.133 -3.333
134 H ARG 17 H ARG 17 -0.173 7.746 -0.203
135 HA ARG 17 HA ARG 17 -1.639 9.258 1.817
136 HB2 ARG 17 2HB ARG 17 1.265 8.384 1.790
137 HB3 ARG 17 1HB ARG 17 0.509 9.346 3.049
138 HG2 ARG 17 2HG ARG 17 -0.165 6.490 2.340
139 HG3 ARG 17 1HG ARG 17 0.741 7.036 3.756
140 HD2 ARG 17 2HD ARG 17 -2.142 7.657 3.116
141 HD3 ARG 17 1HD ARG 17 -1.567 6.538 4.350
142 HE ARG 17 HE ARG 17 -0.408 8.685 5.224
143 HH11 ARG 17 1HH1 ARG 17 -3.683 8.451 3.898
144 HH12 ARG 17 2HH1 ARG 17 -4.294 9.763 4.768
145 HH21 ARG 17 1HH2 ARG 17 -1.258 10.494 6.446
146 HH22 ARG 17 2HH2 ARG 17 -2.890 10.934 6.252
147 HA DPR 18 HA DPR 18 0.001 13.056 0.131
148 HB2 DPR 18 1HB DPR 18 -2.614 13.263 -1.224
149 HB3 DPR 18 2HB DPR 18 -1.876 14.372 -0.070
150 HG2 DPR 18 1HG DPR 18 -3.976 12.815 0.576
151 HG3 DPR 18 2HG DPR 18 -2.726 13.248 1.751
152 HD2 DPR 18 1HD DPR 18 -3.149 10.682 0.313
153 HD3 DPR 18 2HD DPR 18 -2.568 10.997 1.960
Start of MODEL 10
1 HA PRO 1 HA PRO 1 0.449 12.316 -4.732
2 HB2 PRO 1 2HB PRO 1 2.870 13.405 -4.901
3 HB3 PRO 1 1HB PRO 1 1.426 14.423 -4.801
4 HG2 PRO 1 2HG PRO 1 3.393 13.713 -2.663
5 HG3 PRO 1 1HG PRO 1 2.616 15.270 -2.992
6 HD2 PRO 1 2HD PRO 1 1.795 13.463 -1.061
7 HD3 PRO 1 1HD PRO 1 0.766 14.722 -1.771
8 H VAL 2 H VAL 2 1.630 10.970 -1.948
9 HA VAL 2 HA VAL 2 3.603 9.322 -3.359
10 HB VAL 2 HB VAL 2 3.325 9.788 -0.363
11 HG11 VAL 2 1HG1 VAL 2 5.489 8.665 -0.175
12 HG12 VAL 2 2HG1 VAL 2 5.482 8.366 -1.912
13 HG13 VAL 2 3HG1 VAL 2 4.273 7.600 -0.881
14 HG21 VAL 2 1HG2 VAL 2 5.376 10.876 -2.292
15 HG22 VAL 2 2HG2 VAL 2 5.398 11.089 -0.541
16 HG23 VAL 2 3HG2 VAL 2 4.100 11.800 -1.501
17 H THR 3 H THR 3 3.308 7.073 -3.310
18 HA THR 3 HA THR 3 0.933 6.130 -1.890
19 HB THR 3 HB THR 3 1.743 5.353 -4.704
20 HG1 THR 3 1HG THR 3 0.335 7.415 -3.710
21 HG21 THR 3 1HG2 THR 3 -0.732 4.661 -3.086
22 HG22 THR 3 2HG2 THR 3 0.591 3.553 -3.441
23 HG23 THR 3 3HG2 THR 3 -0.413 4.165 -4.750
24 H TRP 4 H TRP 4 1.271 4.367 -0.693
25 HA TRP 4 HA TRP 4 3.760 2.851 -1.100
26 HB2 TRP 4 2HB TRP 4 2.249 3.378 1.469
27 HB3 TRP 4 1HB TRP 4 3.654 2.330 1.321
28 HD1 TRP 4 HD TRP 4 2.665 5.924 1.773
29 HE1 TRP 4 1HE TRP 4 4.802 7.380 1.975
30 HE3 TRP 4 3HE TRP 4 6.162 2.467 0.371
31 HZ2 TRP 4 2HZ TRP 4 7.568 7.095 1.576
32 HZ3 TRP 4 3HZ TRP 4 8.524 3.145 0.306
33 HH2 TRP 4 HH TRP 4 9.203 5.408 0.895
34 H CYS 5 H CYS 5 3.583 0.606 -1.029
35 HA CYS 5 HA CYS 5 0.840 -0.372 -0.911
36 HB2 CYS 5 2HB CYS 5 3.017 -1.278 -2.802
37 HB3 CYS 5 1HB CYS 5 1.422 -2.011 -2.667
38 H VAL 6 H VAL 6 0.486 -1.875 0.458
39 HA VAL 6 HA VAL 6 2.736 -3.121 1.857
40 HB VAL 6 HB VAL 6 -0.212 -3.084 2.584
41 HG11 VAL 6 1HG1 VAL 6 0.973 -4.979 3.544
42 HG12 VAL 6 2HG1 VAL 6 0.525 -3.822 4.798
43 HG13 VAL 6 3HG1 VAL 6 2.189 -3.894 4.218
44 HG21 VAL 6 1HG2 VAL 6 0.700 -0.826 2.660
45 HG22 VAL 6 2HG2 VAL 6 2.037 -1.382 3.667
46 HG23 VAL 6 3HG2 VAL 6 0.387 -1.418 4.291
47 H ARG 7 H ARG 7 3.185 -5.162 1.453
48 HA ARG 7 HA ARG 7 1.371 -6.693 -0.240
49 HB2 ARG 7 2HB ARG 7 4.295 -7.062 0.372
50 HB3 ARG 7 1HB ARG 7 3.365 -8.095 -0.695
51 HG2 ARG 7 2HG ARG 7 2.934 -6.100 -2.130
52 HG3 ARG 7 1HG ARG 7 4.023 -5.183 -1.087
53 HD2 ARG 7 2HD ARG 7 5.209 -5.980 -3.062
54 HD3 ARG 7 1HD ARG 7 5.830 -6.766 -1.609
55 HE ARG 7 HE ARG 7 3.807 -8.348 -2.622
56 HH11 ARG 7 1HH1 ARG 7 7.052 -7.328 -3.644
57 HH12 ARG 7 2HH1 ARG 7 7.337 -8.738 -4.542
58 HH21 ARG 7 1HH2 ARG 7 4.240 -10.267 -3.863
59 HH22 ARG 7 2HH2 ARG 7 5.723 -10.423 -4.692
60 H ILE 8 H ILE 8 0.173 -8.173 0.699
61 HA ILE 8 HA ILE 8 1.247 -9.619 3.012
62 HB ILE 8 HB ILE 8 -1.689 -8.905 2.626
63 HG12 ILE 8 2HG1 ILE 8 0.255 -7.630 4.573
64 HG13 ILE 8 1HG1 ILE 8 -0.281 -6.870 3.080
65 HG21 ILE 8 1HG2 ILE 8 -1.245 -10.935 3.923
66 HG22 ILE 8 2HG2 ILE 8 -1.906 -9.663 4.950
67 HG23 ILE 8 3HG2 ILE 8 -0.182 -10.025 4.993
68 HD11 ILE 8 1HD1 ILE 8 -2.569 -6.854 3.916
69 HD12 ILE 8 2HD1 ILE 8 -1.477 -6.017 5.023
70 HD13 ILE 8 3HD1 ILE 8 -2.037 -7.650 5.396
71 HA DPR 9 HA DPR 9 -0.060 -13.362 0.880
72 HB2 DPR 9 1HB DPR 9 2.511 -13.160 -0.587
73 HB3 DPR 9 2HB DPR 9 1.900 -14.482 0.410
74 HG2 DPR 9 1HG DPR 9 3.863 -12.915 1.294
75 HG3 DPR 9 2HG DPR 9 2.583 -13.463 2.389
76 HD2 DPR 9 1HD DPR 9 2.921 -10.807 1.045
77 HD3 DPR 9 2HD DPR 9 2.449 -11.184 2.717
78 HA PRO 10 HA PRO 10 -0.777 -12.236 -3.447
79 HB2 PRO 10 2HB PRO 10 -3.313 -13.078 -3.615
80 HB3 PRO 10 1HB PRO 10 -1.976 -14.231 -3.532
81 HG2 PRO 10 2HG PRO 10 -3.890 -13.396 -1.401
82 HG3 PRO 10 1HG PRO 10 -3.180 -14.987 -1.708
83 HD2 PRO 10 2HD PRO 10 -2.302 -13.143 0.205
84 HD3 PRO 10 1HD PRO 10 -1.378 -14.533 -0.393
85 H THR 11 H THR 11 -2.028 -10.945 -0.620
86 HA THR 11 HA THR 11 -3.925 -9.143 -1.848
87 HB THR 11 HB THR 11 -3.010 -9.434 1.008
88 HG1 THR 11 1HG THR 11 -4.991 -10.709 -0.536
89 HG21 THR 11 1HG2 THR 11 -4.124 -7.285 0.514
90 HG22 THR 11 2HG2 THR 11 -5.114 -8.295 1.566
91 HG23 THR 11 3HG2 THR 11 -5.504 -8.167 -0.149
92 H VAL 12 H VAL 12 -3.384 -7.119 -2.335
93 HA VAL 12 HA VAL 12 -0.986 -5.973 -1.168
94 HB VAL 12 HB VAL 12 -0.302 -6.742 -3.376
95 HG11 VAL 12 1HG1 VAL 12 -2.455 -6.873 -4.470
96 HG12 VAL 12 2HG1 VAL 12 -1.320 -5.943 -5.445
97 HG13 VAL 12 3HG1 VAL 12 -2.562 -5.114 -4.507
98 HG21 VAL 12 1HG2 VAL 12 -0.663 -3.743 -3.350
99 HG22 VAL 12 2HG2 VAL 12 0.465 -4.625 -4.380
100 HG23 VAL 12 3HG2 VAL 12 0.673 -4.641 -2.630
101 H ARG 13 H ARG 13 -1.316 -4.096 -0.323
102 HA ARG 13 HA ARG 13 -3.815 -2.665 -0.991
103 HB2 ARG 13 2HB ARG 13 -2.312 -2.705 1.625
104 HB3 ARG 13 1HB ARG 13 -3.777 -1.799 1.301
105 HG2 ARG 13 2HG ARG 13 -5.006 -3.887 1.000
106 HG3 ARG 13 1HG ARG 13 -3.524 -4.799 1.304
107 HD2 ARG 13 2HD ARG 13 -3.357 -3.778 3.521
108 HD3 ARG 13 1HD ARG 13 -4.856 -2.901 3.230
109 HE ARG 13 HE ARG 13 -5.580 -5.458 2.847
110 HH11 ARG 13 1HH1 ARG 13 -3.899 -3.820 5.480
111 HH12 ARG 13 2HH1 ARG 13 -4.462 -4.873 6.692
112 HH21 ARG 13 1HH2 ARG 13 -6.360 -6.895 4.477
113 HH22 ARG 13 2HH2 ARG 13 -5.928 -6.693 6.109
114 H CYS 14 H CYS 14 -3.334 -0.892 -2.130
115 HA CYS 14 HA CYS 14 -0.847 0.473 -1.491
116 HB2 CYS 14 2HB CYS 14 -2.604 0.684 -3.943
117 HB3 CYS 14 1HB CYS 14 -1.191 1.695 -3.652
118 H THR 15 H THR 15 -0.926 2.019 -0.186
119 HA THR 15 HA THR 15 -3.428 3.422 0.331
120 HB THR 15 HB THR 15 -0.882 3.305 1.962
121 HG1 THR 15 1HG THR 15 -3.164 1.672 1.812
122 HG21 THR 15 1HG2 THR 15 -2.284 5.235 2.485
123 HG22 THR 15 2HG2 THR 15 -2.417 4.048 3.792
124 HG23 THR 15 3HG2 THR 15 -3.700 4.198 2.596
125 H VAL 16 H VAL 16 -3.600 5.482 -0.253
126 HA VAL 16 HA VAL 16 -1.279 6.767 -1.372
127 HB VAL 16 HB VAL 16 -2.848 8.545 -2.140
128 HG11 VAL 16 1HG1 VAL 16 -3.602 5.734 -2.913
129 HG12 VAL 16 2HG1 VAL 16 -2.300 6.700 -3.609
130 HG13 VAL 16 3HG1 VAL 16 -3.981 7.184 -3.843
131 HG21 VAL 16 1HG2 VAL 16 -4.989 6.736 -1.004
132 HG22 VAL 16 2HG2 VAL 16 -5.276 8.157 -2.008
133 HG23 VAL 16 3HG2 VAL 16 -4.563 8.338 -0.405
134 H ARG 17 H ARG 17 -0.250 8.371 -0.542
135 HA ARG 17 HA ARG 17 -1.267 9.713 1.843
136 HB2 ARG 17 2HB ARG 17 1.565 8.812 1.201
137 HB3 ARG 17 1HB ARG 17 1.168 9.918 2.505
138 HG2 ARG 17 2HG ARG 17 0.061 7.125 2.319
139 HG3 ARG 17 1HG ARG 17 1.548 7.529 3.181
140 HD2 ARG 17 2HD ARG 17 -1.155 8.756 3.740
141 HD3 ARG 17 1HD ARG 17 -0.440 7.429 4.658
142 HE ARG 17 HE ARG 17 1.482 9.126 4.910
143 HH11 ARG 17 1HH1 ARG 17 -1.994 9.903 5.102
144 HH12 ARG 17 2HH1 ARG 17 -1.770 11.203 6.171
145 HH21 ARG 17 1HH2 ARG 17 1.747 10.953 6.393
146 HH22 ARG 17 2HH2 ARG 17 0.362 11.792 6.910
147 HA DPR 18 HA DPR 18 -0.427 13.456 -0.448
148 HB2 DPR 18 1HB DPR 18 -2.902 12.964 -1.985
149 HB3 DPR 18 2HB DPR 18 -2.488 14.331 -0.948
150 HG2 DPR 18 1HG DPR 18 -4.301 12.490 -0.217
151 HG3 DPR 18 2HG DPR 18 -3.240 13.293 0.949
152 HD2 DPR 18 1HD DPR 18 -3.074 10.540 -0.174
153 HD3 DPR 18 2HD DPR 18 -2.693 11.132 1.455
Start of MODEL 11
1 HA PRO 1 HA PRO 1 1.083 12.487 -4.071
2 HB2 PRO 1 2HB PRO 1 3.664 13.067 -3.904
3 HB3 PRO 1 1HB PRO 1 2.438 14.329 -3.726
4 HG2 PRO 1 2HG PRO 1 4.052 12.938 -1.637
5 HG3 PRO 1 1HG PRO 1 3.573 14.639 -1.732
6 HD2 PRO 1 2HD PRO 1 2.297 12.693 -0.205
7 HD3 PRO 1 1HD PRO 1 1.592 14.247 -0.699
8 H VAL 2 H VAL 2 1.816 10.434 -1.471
9 HA VAL 2 HA VAL 2 3.525 8.802 -3.216
10 HB VAL 2 HB VAL 2 3.527 8.739 -0.195
11 HG11 VAL 2 1HG1 VAL 2 5.356 7.426 -2.202
12 HG12 VAL 2 2HG1 VAL 2 4.145 6.614 -1.209
13 HG13 VAL 2 3HG1 VAL 2 5.543 7.373 -0.448
14 HG21 VAL 2 1HG2 VAL 2 5.499 9.988 -2.100
15 HG22 VAL 2 2HG2 VAL 2 5.743 9.781 -0.369
16 HG23 VAL 2 3HG2 VAL 2 4.456 10.841 -0.956
17 H THR 3 H THR 3 2.798 6.917 -3.793
18 HA THR 3 HA THR 3 0.406 5.817 -2.592
19 HB THR 3 HB THR 3 2.025 4.883 -4.976
20 HG1 THR 3 1HG THR 3 -0.400 6.142 -5.363
21 HG21 THR 3 1HG2 THR 3 -0.067 3.739 -5.606
22 HG22 THR 3 2HG2 THR 3 -0.831 4.327 -4.128
23 HG23 THR 3 3HG2 THR 3 0.511 3.187 -4.033
24 H TRP 4 H TRP 4 0.821 4.556 -0.809
25 HA TRP 4 HA TRP 4 3.334 3.100 -0.698
26 HB2 TRP 4 2HB TRP 4 1.218 3.536 1.421
27 HB3 TRP 4 1HB TRP 4 2.744 2.699 1.665
28 HD1 TRP 4 HD TRP 4 1.245 6.166 1.331
29 HE1 TRP 4 1HE TRP 4 3.022 7.917 2.018
30 HE3 TRP 4 3HE TRP 4 5.301 3.101 1.731
31 HZ2 TRP 4 2HZ TRP 4 5.745 7.976 2.651
32 HZ3 TRP 4 3HZ TRP 4 7.463 4.086 2.385
33 HH2 TRP 4 HH TRP 4 7.667 6.478 2.834
34 H CYS 5 H CYS 5 3.063 1.327 -1.889
35 HA CYS 5 HA CYS 5 0.663 -0.281 -1.548
36 HB2 CYS 5 2HB CYS 5 3.031 -0.641 -3.391
37 HB3 CYS 5 1HB CYS 5 1.597 -1.662 -3.373
38 H VAL 6 H VAL 6 0.605 -1.487 0.121
39 HA VAL 6 HA VAL 6 3.065 -2.788 0.983
40 HB VAL 6 HB VAL 6 1.889 -3.299 3.114
41 HG11 VAL 6 1HG1 VAL 6 1.879 -0.379 2.364
42 HG12 VAL 6 2HG1 VAL 6 3.258 -1.301 2.965
43 HG13 VAL 6 3HG1 VAL 6 1.868 -1.015 4.010
44 HG21 VAL 6 1HG2 VAL 6 -0.253 -2.199 3.638
45 HG22 VAL 6 2HG2 VAL 6 -0.424 -3.333 2.298
46 HG23 VAL 6 3HG2 VAL 6 -0.346 -1.601 1.981
47 H ARG 7 H ARG 7 3.239 -4.949 1.081
48 HA ARG 7 HA ARG 7 1.103 -6.459 -0.228
49 HB2 ARG 7 2HB ARG 7 4.061 -7.005 -0.073
50 HB3 ARG 7 1HB ARG 7 2.890 -8.089 -0.791
51 HG2 ARG 7 2HG ARG 7 2.335 -6.307 -2.431
52 HG3 ARG 7 1HG ARG 7 3.646 -5.337 -1.748
53 HD2 ARG 7 2HD ARG 7 4.419 -6.533 -3.720
54 HD3 ARG 7 1HD ARG 7 5.229 -7.135 -2.272
55 HE ARG 7 HE ARG 7 2.856 -8.572 -3.088
56 HH11 ARG 7 1HH1 ARG 7 6.387 -8.445 -3.169
57 HH12 ARG 7 2HH1 ARG 7 6.590 -10.067 -3.604
58 HH21 ARG 7 1HH2 ARG 7 3.121 -10.832 -3.708
59 HH22 ARG 7 2HH2 ARG 7 4.679 -11.469 -3.895
60 H ILE 8 H ILE 8 0.226 -8.093 0.796
61 HA ILE 8 HA ILE 8 1.531 -9.266 3.128
62 HB ILE 8 HB ILE 8 -1.430 -8.525 3.075
63 HG12 ILE 8 2HG1 ILE 8 0.775 -7.239 4.718
64 HG13 ILE 8 1HG1 ILE 8 -0.005 -6.494 3.330
65 HG21 ILE 8 1HG2 ILE 8 -0.933 -10.520 4.356
66 HG22 ILE 8 2HG2 ILE 8 -1.377 -9.201 5.444
67 HG23 ILE 8 3HG2 ILE 8 0.315 -9.661 5.258
68 HD11 ILE 8 1HD1 ILE 8 -0.885 -5.618 5.417
69 HD12 ILE 8 2HD1 ILE 8 -1.342 -7.245 5.921
70 HD13 ILE 8 3HD1 ILE 8 -2.132 -6.498 4.533
71 HA DPR 9 HA DPR 9 -0.117 -13.132 1.560
72 HB2 DPR 9 1HB DPR 9 2.074 -13.847 0.014
73 HB3 DPR 9 2HB DPR 9 1.944 -14.154 1.744
74 HG2 DPR 9 1HG DPR 9 3.366 -11.962 0.298
75 HG3 DPR 9 2HG DPR 9 3.861 -12.855 1.745
76 HD2 DPR 9 1HD DPR 9 2.868 -10.362 1.883
77 HD3 DPR 9 2HD DPR 9 2.537 -11.572 3.142
78 HA PRO 10 HA PRO 10 -0.862 -12.514 -2.849
79 HB2 PRO 10 2HB PRO 10 -3.452 -13.179 -2.887
80 HB3 PRO 10 1HB PRO 10 -2.199 -14.402 -2.647
81 HG2 PRO 10 2HG PRO 10 -4.028 -13.154 -0.659
82 HG3 PRO 10 1HG PRO 10 -3.411 -14.811 -0.731
83 HD2 PRO 10 2HD PRO 10 -2.406 -12.739 0.880
84 HD3 PRO 10 1HD PRO 10 -1.593 -14.275 0.523
85 H THR 11 H THR 11 -1.898 -10.699 -0.244
86 HA THR 11 HA THR 11 -3.729 -9.021 -1.733
87 HB THR 11 HB THR 11 -2.812 -8.760 1.130
88 HG1 THR 11 1HG THR 11 -4.851 -10.313 -0.064
89 HG21 THR 11 1HG2 THR 11 -3.953 -6.804 0.223
90 HG22 THR 11 2HG2 THR 11 -5.021 -7.630 1.366
91 HG23 THR 11 3HG2 THR 11 -5.260 -7.822 -0.367
92 H VAL 12 H VAL 12 -3.099 -7.108 -2.557
93 HA VAL 12 HA VAL 12 -0.799 -5.809 -1.367
94 HB VAL 12 HB VAL 12 -0.041 -6.684 -3.539
95 HG11 VAL 12 1HG1 VAL 12 -0.998 -5.930 -5.665
96 HG12 VAL 12 2HG1 VAL 12 -2.296 -5.128 -4.779
97 HG13 VAL 12 3HG1 VAL 12 -2.138 -6.884 -4.713
98 HG21 VAL 12 1HG2 VAL 12 0.880 -4.552 -2.817
99 HG22 VAL 12 2HG2 VAL 12 -0.431 -3.692 -3.622
100 HG23 VAL 12 3HG2 VAL 12 0.742 -4.599 -4.575
101 H ARG 13 H ARG 13 -1.259 -3.895 -0.615
102 HA ARG 13 HA ARG 13 -3.741 -2.659 -1.557
103 HB2 ARG 13 2HB ARG 13 -3.976 -3.630 0.701
104 HB3 ARG 13 1HB ARG 13 -2.634 -2.645 1.258
105 HG2 ARG 13 2HG ARG 13 -4.742 -1.673 1.948
106 HG3 ARG 13 1HG ARG 13 -3.936 -0.620 0.784
107 HD2 ARG 13 2HD ARG 13 -6.330 -0.780 0.299
108 HD3 ARG 13 1HD ARG 13 -5.383 -1.495 -1.002
109 HE ARG 13 HE ARG 13 -6.247 -3.341 1.015
110 HH11 ARG 13 1HH1 ARG 13 -7.158 -1.819 -2.064
111 HH12 ARG 13 2HH1 ARG 13 -8.226 -3.085 -2.506
112 HH21 ARG 13 1HH2 ARG 13 -7.732 -5.008 0.422
113 HH22 ARG 13 2HH2 ARG 13 -8.578 -4.930 -1.056
114 H CYS 14 H CYS 14 -3.256 -0.914 -2.650
115 HA CYS 14 HA CYS 14 -0.920 0.622 -1.928
116 HB2 CYS 14 2HB CYS 14 -2.776 0.787 -4.296
117 HB3 CYS 14 1HB CYS 14 -1.401 1.859 -4.031
118 H THR 15 H THR 15 -1.226 1.779 -0.287
119 HA THR 15 HA THR 15 -3.673 3.298 0.011
120 HB THR 15 HB THR 15 -1.371 2.987 1.928
121 HG1 THR 15 1HG THR 15 -3.709 1.424 1.510
122 HG21 THR 15 1HG2 THR 15 -2.967 4.792 2.398
123 HG22 THR 15 2HG2 THR 15 -3.087 3.511 3.603
124 HG23 THR 15 3HG2 THR 15 -4.297 3.636 2.327
125 H VAL 16 H VAL 16 -3.512 5.249 -0.899
126 HA VAL 16 HA VAL 16 -0.898 6.418 -1.288
127 HB VAL 16 HB VAL 16 -2.308 6.332 -3.281
128 HG11 VAL 16 1HG1 VAL 16 -4.505 6.405 -2.316
129 HG12 VAL 16 2HG1 VAL 16 -4.337 7.692 -3.511
130 HG13 VAL 16 3HG1 VAL 16 -4.254 8.069 -1.791
131 HG21 VAL 16 1HG2 VAL 16 -2.180 8.687 -3.993
132 HG22 VAL 16 2HG2 VAL 16 -0.723 8.166 -3.149
133 HG23 VAL 16 3HG2 VAL 16 -1.913 9.164 -2.315
134 H ARG 17 H ARG 17 -0.102 7.857 -0.089
135 HA ARG 17 HA ARG 17 -1.867 9.435 1.629
136 HB2 ARG 17 2HB ARG 17 0.961 8.502 2.150
137 HB3 ARG 17 1HB ARG 17 0.064 9.599 3.192
138 HG2 ARG 17 2HG ARG 17 -0.629 6.734 2.589
139 HG3 ARG 17 1HG ARG 17 0.066 7.349 4.086
140 HD2 ARG 17 2HD ARG 17 -1.955 8.745 4.398
141 HD3 ARG 17 1HD ARG 17 -2.644 8.013 2.946
142 HE ARG 17 HE ARG 17 -1.785 6.234 5.054
143 HH11 ARG 17 1HH1 ARG 17 -4.516 7.791 3.415
144 HH12 ARG 17 2HH1 ARG 17 -5.688 6.781 4.102
145 HH21 ARG 17 1HH2 ARG 17 -3.380 4.873 6.024
146 HH22 ARG 17 2HH2 ARG 17 -5.026 5.100 5.648
147 HA DPR 18 HA DPR 18 0.026 13.161 0.233
148 HB2 DPR 18 1HB DPR 18 -2.030 13.914 -1.459
149 HB3 DPR 18 2HB DPR 18 -2.035 14.202 0.283
150 HG2 DPR 18 1HG DPR 18 -3.362 12.040 -1.286
151 HG3 DPR 18 2HG DPR 18 -3.967 12.947 0.111
152 HD2 DPR 18 1HD DPR 18 -3.015 10.451 0.319
153 HD3 DPR 18 2HD DPR 18 -2.795 11.647 1.615
Start of MODEL 12
1 HA PRO 1 HA PRO 1 0.154 12.188 -3.772
2 HB2 PRO 1 2HB PRO 1 2.572 13.105 -4.386
3 HB3 PRO 1 1HB PRO 1 1.271 14.202 -3.909
4 HG2 PRO 1 2HG PRO 1 3.613 13.258 -2.328
5 HG3 PRO 1 1HG PRO 1 2.817 14.839 -2.321
6 HD2 PRO 1 2HD PRO 1 2.403 12.760 -0.471
7 HD3 PRO 1 1HD PRO 1 1.381 14.197 -0.688
8 H VAL 2 H VAL 2 1.655 10.401 -1.438
9 HA VAL 2 HA VAL 2 3.330 8.959 -3.356
10 HB VAL 2 HB VAL 2 3.436 8.770 -0.331
11 HG11 VAL 2 1HG1 VAL 2 5.553 7.585 -0.696
12 HG12 VAL 2 2HG1 VAL 2 5.309 7.689 -2.439
13 HG13 VAL 2 3HG1 VAL 2 4.203 6.734 -1.450
14 HG21 VAL 2 1HG2 VAL 2 5.509 10.043 -0.479
15 HG22 VAL 2 2HG2 VAL 2 4.157 10.973 -1.134
16 HG23 VAL 2 3HG2 VAL 2 5.302 10.187 -2.223
17 H THR 3 H THR 3 2.606 7.140 -4.110
18 HA THR 3 HA THR 3 0.389 5.746 -2.912
19 HB THR 3 HB THR 3 2.112 4.912 -5.266
20 HG1 THR 3 1HG THR 3 0.777 6.035 -6.556
21 HG21 THR 3 1HG2 THR 3 -0.753 4.278 -4.530
22 HG22 THR 3 2HG2 THR 3 0.619 3.180 -4.373
23 HG23 THR 3 3HG2 THR 3 0.089 3.707 -5.970
24 H TRP 4 H TRP 4 0.802 4.322 -1.274
25 HA TRP 4 HA TRP 4 3.383 2.971 -1.235
26 HB2 TRP 4 2HB TRP 4 1.437 3.614 0.957
27 HB3 TRP 4 1HB TRP 4 2.664 2.369 1.155
28 HD1 TRP 4 HD TRP 4 2.175 6.077 1.271
29 HE1 TRP 4 1HE TRP 4 4.430 7.212 1.850
30 HE3 TRP 4 3HE TRP 4 5.265 2.057 0.703
31 HZ2 TRP 4 2HZ TRP 4 7.160 6.469 2.021
32 HZ3 TRP 4 3HZ TRP 4 7.677 2.349 1.081
33 HH2 TRP 4 HH TRP 4 8.595 4.513 1.727
34 H CYS 5 H CYS 5 3.159 1.232 -2.419
35 HA CYS 5 HA CYS 5 0.818 -0.433 -2.038
36 HB2 CYS 5 2HB CYS 5 3.144 -0.693 -3.953
37 HB3 CYS 5 1HB CYS 5 1.773 -1.795 -3.885
38 H VAL 6 H VAL 6 0.872 -1.408 -0.228
39 HA VAL 6 HA VAL 6 3.342 -2.705 0.616
40 HB VAL 6 HB VAL 6 2.227 -2.941 2.853
41 HG11 VAL 6 1HG1 VAL 6 2.344 -0.129 1.768
42 HG12 VAL 6 2HG1 VAL 6 3.694 -1.049 2.436
43 HG13 VAL 6 3HG1 VAL 6 2.354 -0.565 3.477
44 HG21 VAL 6 1HG2 VAL 6 0.184 -1.680 3.326
45 HG22 VAL 6 2HG2 VAL 6 -0.105 -2.912 2.095
46 HG23 VAL 6 3HG2 VAL 6 0.067 -1.223 1.627
47 H ARG 7 H ARG 7 3.313 -4.882 1.238
48 HA ARG 7 HA ARG 7 1.325 -6.396 -0.291
49 HB2 ARG 7 2HB ARG 7 4.100 -7.122 0.618
50 HB3 ARG 7 1HB ARG 7 3.019 -8.215 -0.221
51 HG2 ARG 7 2HG ARG 7 3.029 -6.763 -2.171
52 HG3 ARG 7 1HG ARG 7 4.057 -5.609 -1.320
53 HD2 ARG 7 2HD ARG 7 5.357 -7.020 -2.840
54 HD3 ARG 7 1HD ARG 7 5.810 -7.273 -1.153
55 HE ARG 7 HE ARG 7 3.832 -9.117 -1.939
56 HH11 ARG 7 1HH1 ARG 7 7.269 -8.463 -2.392
57 HH12 ARG 7 2HH1 ARG 7 7.703 -10.104 -2.598
58 HH21 ARG 7 1HH2 ARG 7 4.431 -11.370 -2.204
59 HH22 ARG 7 2HH2 ARG 7 6.069 -11.784 -2.459
60 H ILE 8 H ILE 8 -0.171 -7.479 0.810
61 HA ILE 8 HA ILE 8 0.542 -8.460 3.473
62 HB ILE 8 HB ILE 8 -2.257 -7.671 2.528
63 HG12 ILE 8 2HG1 ILE 8 -2.116 -6.075 4.556
64 HG13 ILE 8 1HG1 ILE 8 -0.382 -6.335 4.475
65 HG21 ILE 8 1HG2 ILE 8 -1.383 -8.747 5.205
66 HG22 ILE 8 2HG2 ILE 8 -2.344 -9.594 3.993
67 HG23 ILE 8 3HG2 ILE 8 -3.004 -8.178 4.812
68 HD11 ILE 8 1HD1 ILE 8 -1.038 -4.273 3.395
69 HD12 ILE 8 2HD1 ILE 8 -2.088 -5.166 2.295
70 HD13 ILE 8 3HD1 ILE 8 -0.340 -5.400 2.233
71 HA DPR 9 HA DPR 9 -0.722 -12.577 2.314
72 HB2 DPR 9 1HB DPR 9 2.128 -12.771 1.441
73 HB3 DPR 9 2HB DPR 9 1.210 -13.845 2.503
74 HG2 DPR 9 1HG DPR 9 2.996 -12.170 3.518
75 HG3 DPR 9 2HG DPR 9 1.444 -12.440 4.335
76 HD2 DPR 9 1HD DPR 9 2.330 -10.124 2.661
77 HD3 DPR 9 2HD DPR 9 1.357 -10.156 4.147
78 HA PRO 10 HA PRO 10 -0.530 -12.810 -2.170
79 HB2 PRO 10 2HB PRO 10 -3.071 -13.458 -2.624
80 HB3 PRO 10 1HB PRO 10 -1.964 -14.600 -1.853
81 HG2 PRO 10 2HG PRO 10 -4.081 -12.891 -0.619
82 HG3 PRO 10 1HG PRO 10 -3.614 -14.555 -0.227
83 HD2 PRO 10 2HD PRO 10 -2.795 -12.280 1.160
84 HD3 PRO 10 1HD PRO 10 -1.999 -13.865 1.218
85 H THR 11 H THR 11 -1.984 -10.334 -0.358
86 HA THR 11 HA THR 11 -3.166 -9.139 -2.770
87 HB THR 11 HB THR 11 -3.885 -8.453 0.062
88 HG1 THR 11 1HG THR 11 -4.604 -10.606 -1.570
89 HG21 THR 11 1HG2 THR 11 -5.963 -7.659 -1.010
90 HG22 THR 11 2HG2 THR 11 -5.342 -8.169 -2.577
91 HG23 THR 11 3HG2 THR 11 -4.549 -6.864 -1.701
92 H VAL 12 H VAL 12 -2.200 -7.355 -3.480
93 HA VAL 12 HA VAL 12 -0.353 -5.896 -1.776
94 HB VAL 12 HB VAL 12 -1.049 -5.482 -4.712
95 HG11 VAL 12 1HG1 VAL 12 1.203 -4.317 -3.073
96 HG12 VAL 12 2HG1 VAL 12 -0.202 -3.443 -3.681
97 HG13 VAL 12 3HG1 VAL 12 0.982 -4.105 -4.810
98 HG21 VAL 12 1HG2 VAL 12 1.126 -6.523 -5.199
99 HG22 VAL 12 2HG2 VAL 12 0.040 -7.637 -4.366
100 HG23 VAL 12 3HG2 VAL 12 1.344 -6.850 -3.480
101 H ARG 13 H ARG 13 -0.884 -4.007 -0.889
102 HA ARG 13 HA ARG 13 -3.519 -2.858 -1.529
103 HB2 ARG 13 2HB ARG 13 -3.287 -3.913 0.722
104 HB3 ARG 13 1HB ARG 13 -1.988 -2.795 1.073
105 HG2 ARG 13 2HG ARG 13 -4.023 -2.061 2.137
106 HG3 ARG 13 1HG ARG 13 -3.562 -0.918 0.877
107 HD2 ARG 13 2HD ARG 13 -5.993 -1.451 0.934
108 HD3 ARG 13 1HD ARG 13 -5.226 -1.791 -0.616
109 HE ARG 13 HE ARG 13 -5.069 -4.165 0.363
110 HH11 ARG 13 1HH1 ARG 13 -7.808 -2.003 1.002
111 HH12 ARG 13 2HH1 ARG 13 -8.939 -3.274 1.090
112 HH21 ARG 13 1HH2 ARG 13 -6.604 -5.842 0.458
113 HH22 ARG 13 2HH2 ARG 13 -8.243 -5.503 0.765
114 H CYS 14 H CYS 14 -3.121 -1.076 -2.742
115 HA CYS 14 HA CYS 14 -0.797 0.527 -2.089
116 HB2 CYS 14 2HB CYS 14 -2.728 0.758 -4.400
117 HB3 CYS 14 1HB CYS 14 -1.294 1.758 -4.172
118 H THR 15 H THR 15 -1.124 1.582 -0.365
119 HA THR 15 HA THR 15 -3.568 3.032 0.160
120 HB THR 15 HB THR 15 -0.983 2.792 1.726
121 HG1 THR 15 1HG THR 15 -3.398 1.302 1.818
122 HG21 THR 15 1HG2 THR 15 -2.376 3.441 3.649
123 HG22 THR 15 2HG2 THR 15 -3.768 3.601 2.581
124 HG23 THR 15 3HG2 THR 15 -2.394 4.692 2.407
125 H VAL 16 H VAL 16 -3.668 5.274 -0.115
126 HA VAL 16 HA VAL 16 -1.250 6.468 -1.191
127 HB VAL 16 HB VAL 16 -2.714 8.344 -2.007
128 HG11 VAL 16 1HG1 VAL 16 -2.057 6.544 -3.501
129 HG12 VAL 16 2HG1 VAL 16 -3.702 7.067 -3.862
130 HG13 VAL 16 3HG1 VAL 16 -3.428 5.574 -2.964
131 HG21 VAL 16 1HG2 VAL 16 -5.142 7.994 -2.106
132 HG22 VAL 16 2HG2 VAL 16 -4.585 8.063 -0.433
133 HG23 VAL 16 3HG2 VAL 16 -4.967 6.509 -1.174
134 H ARG 17 H ARG 17 -0.052 7.670 -0.017
135 HA ARG 17 HA ARG 17 -1.258 9.078 2.259
136 HB2 ARG 17 2HB ARG 17 1.589 8.081 1.938
137 HB3 ARG 17 1HB ARG 17 1.020 9.065 3.275
138 HG2 ARG 17 2HG ARG 17 0.081 6.286 2.606
139 HG3 ARG 17 1HG ARG 17 1.177 6.740 3.916
140 HD2 ARG 17 2HD ARG 17 -0.579 8.075 4.940
141 HD3 ARG 17 1HD ARG 17 -1.675 7.678 3.618
142 HE ARG 17 HE ARG 17 -0.584 5.445 5.051
143 HH11 ARG 17 1HH1 ARG 17 -3.271 7.749 4.765
144 HH12 ARG 17 2HH1 ARG 17 -4.381 6.803 5.621
145 HH21 ARG 17 1HH2 ARG 17 -2.115 4.145 6.249
146 HH22 ARG 17 2HH2 ARG 17 -3.720 4.666 6.471
147 HA DPR 18 HA DPR 18 0.360 12.913 0.681
148 HB2 DPR 18 1HB DPR 18 -2.397 13.169 -0.392
149 HB3 DPR 18 2HB DPR 18 -1.501 14.282 0.646
150 HG2 DPR 18 1HG DPR 18 -3.515 12.799 1.592
151 HG3 DPR 18 2HG DPR 18 -2.078 13.163 2.565
152 HD2 DPR 18 1HD DPR 18 -2.827 10.631 1.188
153 HD3 DPR 18 2HD DPR 18 -1.991 10.896 2.732
Start of MODEL 13
1 HA PRO 1 HA PRO 1 0.682 12.719 -2.915
2 HB2 PRO 1 2HB PRO 1 3.207 13.414 -3.166
3 HB3 PRO 1 1HB PRO 1 2.055 14.525 -2.413
4 HG2 PRO 1 2HG PRO 1 4.174 12.855 -1.152
5 HG3 PRO 1 1HG PRO 1 3.554 14.436 -0.657
6 HD2 PRO 1 2HD PRO 1 2.794 11.887 0.375
7 HD3 PRO 1 1HD PRO 1 2.070 13.469 0.737
8 H VAL 2 H VAL 2 1.680 10.150 -1.062
9 HA VAL 2 HA VAL 2 3.276 8.957 -3.237
10 HB VAL 2 HB VAL 2 3.501 8.348 -0.272
11 HG11 VAL 2 1HG1 VAL 2 5.167 7.401 -2.596
12 HG12 VAL 2 2HG1 VAL 2 4.046 6.426 -1.647
13 HG13 VAL 2 3HG1 VAL 2 5.504 7.077 -0.894
14 HG21 VAL 2 1HG2 VAL 2 5.691 9.444 -0.378
15 HG22 VAL 2 2HG2 VAL 2 4.381 10.564 -0.758
16 HG23 VAL 2 3HG2 VAL 2 5.376 9.897 -2.053
17 H THR 3 H THR 3 2.715 6.916 -3.924
18 HA THR 3 HA THR 3 0.338 5.755 -2.703
19 HB THR 3 HB THR 3 1.558 5.184 -5.420
20 HG1 THR 3 1HG THR 3 0.710 7.350 -5.059
21 HG21 THR 3 1HG2 THR 3 0.147 3.373 -4.512
22 HG22 THR 3 2HG2 THR 3 -0.627 4.152 -5.893
23 HG23 THR 3 3HG2 THR 3 -1.163 4.526 -4.254
24 H TRP 4 H TRP 4 0.958 4.379 -1.171
25 HA TRP 4 HA TRP 4 3.426 2.865 -1.427
26 HB2 TRP 4 2HB TRP 4 1.432 3.015 0.838
27 HB3 TRP 4 1HB TRP 4 2.974 2.176 0.882
28 HD1 TRP 4 HD TRP 4 1.412 5.585 1.234
29 HE1 TRP 4 1HE TRP 4 3.204 7.257 2.050
30 HE3 TRP 4 3HE TRP 4 5.550 2.664 0.671
31 HZ2 TRP 4 2HZ TRP 4 5.985 7.318 2.392
32 HZ3 TRP 4 3HZ TRP 4 7.746 3.599 1.264
33 HH2 TRP 4 HH TRP 4 7.955 5.884 2.107
34 H CYS 5 H CYS 5 3.297 0.987 -2.441
35 HA CYS 5 HA CYS 5 0.838 -0.558 -2.212
36 HB2 CYS 5 2HB CYS 5 3.233 -0.939 -4.024
37 HB3 CYS 5 1HB CYS 5 1.830 -1.999 -3.983
38 H VAL 6 H VAL 6 0.821 -1.554 -0.383
39 HA VAL 6 HA VAL 6 3.249 -2.890 0.501
40 HB VAL 6 HB VAL 6 2.100 -3.177 2.700
41 HG11 VAL 6 1HG1 VAL 6 2.182 -0.819 3.390
42 HG12 VAL 6 2HG1 VAL 6 2.217 -0.340 1.693
43 HG13 VAL 6 3HG1 VAL 6 3.550 -1.273 2.374
44 HG21 VAL 6 1HG2 VAL 6 -0.083 -1.471 1.478
45 HG22 VAL 6 2HG2 VAL 6 0.029 -1.930 3.178
46 HG23 VAL 6 3HG2 VAL 6 -0.231 -3.166 1.946
47 H ARG 7 H ARG 7 3.417 -5.009 0.567
48 HA ARG 7 HA ARG 7 1.122 -6.479 -0.421
49 HB2 ARG 7 2HB ARG 7 2.795 -8.216 -1.177
50 HB3 ARG 7 1HB ARG 7 2.888 -6.678 -2.012
51 HG2 ARG 7 2HG ARG 7 4.812 -6.066 -0.574
52 HG3 ARG 7 1HG ARG 7 4.728 -7.675 0.147
53 HD2 ARG 7 2HD ARG 7 5.157 -7.096 -2.780
54 HD3 ARG 7 1HD ARG 7 6.434 -7.491 -1.637
55 HE ARG 7 HE ARG 7 5.166 -9.623 -1.306
56 HH11 ARG 7 1HH1 ARG 7 5.063 -7.884 -4.416
57 HH12 ARG 7 2HH1 ARG 7 4.858 -9.280 -5.355
58 HH21 ARG 7 1HH2 ARG 7 4.946 -11.546 -2.622
59 HH22 ARG 7 2HH2 ARG 7 4.805 -11.427 -4.322
60 H ILE 8 H ILE 8 0.059 -7.123 1.181
61 HA ILE 8 HA ILE 8 1.418 -8.372 3.448
62 HB ILE 8 HB ILE 8 -1.411 -7.253 3.246
63 HG12 ILE 8 2HG1 ILE 8 1.010 -6.137 4.688
64 HG13 ILE 8 1HG1 ILE 8 0.370 -5.522 3.170
65 HG21 ILE 8 1HG2 ILE 8 0.118 -8.252 5.655
66 HG22 ILE 8 2HG2 ILE 8 -1.198 -9.114 4.858
67 HG23 ILE 8 3HG2 ILE 8 -1.513 -7.580 5.671
68 HD11 ILE 8 1HD1 ILE 8 -1.697 -4.906 4.294
69 HD12 ILE 8 2HD1 ILE 8 -0.298 -4.143 5.052
70 HD13 ILE 8 3HD1 ILE 8 -1.065 -5.538 5.814
71 HA DPR 9 HA DPR 9 -0.711 -12.254 2.602
72 HB2 DPR 9 1HB DPR 9 1.971 -12.974 1.533
73 HB3 DPR 9 2HB DPR 9 0.981 -13.824 2.724
74 HG2 DPR 9 1HG DPR 9 3.139 -12.473 3.471
75 HG3 DPR 9 2HG DPR 9 1.666 -12.450 4.456
76 HD2 DPR 9 1HD DPR 9 2.727 -10.362 2.587
77 HD3 DPR 9 2HD DPR 9 1.972 -10.178 4.184
78 HA PRO 10 HA PRO 10 -0.612 -12.319 -1.909
79 HB2 PRO 10 2HB PRO 10 -3.084 -13.292 -2.255
80 HB3 PRO 10 1HB PRO 10 -1.742 -14.323 -1.756
81 HG2 PRO 10 2HG PRO 10 -4.039 -13.349 -0.183
82 HG3 PRO 10 1HG PRO 10 -3.021 -14.772 0.067
83 HD2 PRO 10 2HD PRO 10 -2.854 -12.232 1.383
84 HD3 PRO 10 1HD PRO 10 -1.819 -13.659 1.605
85 H THR 11 H THR 11 -1.772 -10.091 0.101
86 HA THR 11 HA THR 11 -3.557 -8.876 -1.875
87 HB THR 11 HB THR 11 -3.317 -8.201 1.035
88 HG1 THR 11 1HG THR 11 -4.558 -10.304 -0.277
89 HG21 THR 11 1HG2 THR 11 -5.492 -7.707 -1.013
90 HG22 THR 11 2HG2 THR 11 -4.370 -6.499 -0.390
91 HG23 THR 11 3HG2 THR 11 -5.566 -7.230 0.684
92 H VAL 12 H VAL 12 -2.685 -7.248 -2.906
93 HA VAL 12 HA VAL 12 -0.478 -5.746 -1.699
94 HB VAL 12 HB VAL 12 -1.268 -5.869 -4.630
95 HG11 VAL 12 1HG1 VAL 12 0.862 -4.753 -5.039
96 HG12 VAL 12 2HG1 VAL 12 1.175 -4.691 -3.305
97 HG13 VAL 12 3HG1 VAL 12 -0.173 -3.782 -3.993
98 HG21 VAL 12 1HG2 VAL 12 -0.393 -8.033 -3.910
99 HG22 VAL 12 2HG2 VAL 12 1.027 -7.246 -3.223
100 HG23 VAL 12 3HG2 VAL 12 0.763 -7.220 -4.967
101 H ARG 13 H ARG 13 -1.220 -4.008 -0.777
102 HA ARG 13 HA ARG 13 -3.576 -2.684 -1.920
103 HB2 ARG 13 2HB ARG 13 -2.403 -2.490 0.840
104 HB3 ARG 13 1HB ARG 13 -3.764 -1.548 0.262
105 HG2 ARG 13 2HG ARG 13 -5.020 -3.645 -0.081
106 HG3 ARG 13 1HG ARG 13 -3.657 -4.529 0.616
107 HD2 ARG 13 2HD ARG 13 -5.367 -4.089 2.306
108 HD3 ARG 13 1HD ARG 13 -3.852 -3.251 2.661
109 HE ARG 13 HE ARG 13 -6.006 -1.853 1.278
110 HH11 ARG 13 1HH1 ARG 13 -4.055 -2.213 4.205
111 HH12 ARG 13 2HH1 ARG 13 -4.390 -0.657 4.806
112 HH21 ARG 13 1HH2 ARG 13 -6.505 0.293 2.131
113 HH22 ARG 13 2HH2 ARG 13 -5.813 0.793 3.599
114 H CYS 14 H CYS 14 -3.087 -1.058 -3.147
115 HA CYS 14 HA CYS 14 -0.738 0.539 -2.552
116 HB2 CYS 14 2HB CYS 14 -2.566 0.519 -4.963
117 HB3 CYS 14 1HB CYS 14 -1.157 1.558 -4.776
118 H THR 15 H THR 15 -1.350 1.652 -0.830
119 HA THR 15 HA THR 15 -3.837 3.165 -0.928
120 HB THR 15 HB THR 15 -1.861 2.939 1.355
121 HG1 THR 15 1HG THR 15 -3.755 1.172 0.368
122 HG21 THR 15 1HG2 THR 15 -4.801 3.663 1.271
123 HG22 THR 15 2HG2 THR 15 -3.476 4.810 1.439
124 HG23 THR 15 3HG2 THR 15 -3.781 3.634 2.712
125 H VAL 16 H VAL 16 -3.796 5.274 -1.434
126 HA VAL 16 HA VAL 16 -1.255 6.549 -1.748
127 HB VAL 16 HB VAL 16 -2.912 6.927 -3.501
128 HG11 VAL 16 1HG1 VAL 16 -4.973 6.697 -2.276
129 HG12 VAL 16 2HG1 VAL 16 -4.950 8.247 -3.120
130 HG13 VAL 16 3HG1 VAL 16 -4.644 8.182 -1.387
131 HG21 VAL 16 1HG2 VAL 16 -1.316 8.711 -3.115
132 HG22 VAL 16 2HG2 VAL 16 -2.383 9.439 -1.914
133 HG23 VAL 16 3HG2 VAL 16 -2.868 9.389 -3.609
134 H ARG 17 H ARG 17 -0.293 7.491 -0.205
135 HA ARG 17 HA ARG 17 -1.870 8.680 1.942
136 HB2 ARG 17 2HB ARG 17 0.879 7.425 2.120
137 HB3 ARG 17 1HB ARG 17 0.072 8.276 3.420
138 HG2 ARG 17 2HG ARG 17 -0.781 5.673 2.165
139 HG3 ARG 17 1HG ARG 17 -0.134 5.916 3.788
140 HD2 ARG 17 2HD ARG 17 -2.785 6.866 2.702
141 HD3 ARG 17 1HD ARG 17 -2.516 5.660 3.955
142 HE ARG 17 HE ARG 17 -1.324 7.951 4.861
143 HH11 ARG 17 1HH1 ARG 17 -4.624 6.919 4.086
144 HH12 ARG 17 2HH1 ARG 17 -5.356 8.155 4.993
145 HH21 ARG 17 1HH2 ARG 17 -2.344 9.626 6.098
146 HH22 ARG 17 2HH2 ARG 17 -4.040 9.714 6.169
147 HA DPR 18 HA DPR 18 0.626 12.366 1.597
148 HB2 DPR 18 1HB DPR 18 -1.951 13.450 0.602
149 HB3 DPR 18 2HB DPR 18 -0.911 14.042 1.895
150 HG2 DPR 18 1HG DPR 18 -3.235 12.811 2.416
151 HG3 DPR 18 2HG DPR 18 -1.820 12.619 3.465
152 HD2 DPR 18 1HD DPR 18 -2.957 10.739 1.447
153 HD3 DPR 18 2HD DPR 18 -2.186 10.403 3.012
Start of MODEL 14
1 HA PRO 1 HA PRO 1 0.711 12.340 -4.177
2 HB2 PRO 1 2HB PRO 1 3.265 13.055 -4.321
3 HB3 PRO 1 1HB PRO 1 2.000 14.261 -4.055
4 HG2 PRO 1 2HG PRO 1 3.910 13.059 -2.101
5 HG3 PRO 1 1HG PRO 1 3.319 14.724 -2.208
6 HD2 PRO 1 2HD PRO 1 2.336 12.757 -0.481
7 HD3 PRO 1 1HD PRO 1 1.505 14.263 -0.923
8 H VAL 2 H VAL 2 1.791 10.482 -1.570
9 HA VAL 2 HA VAL 2 3.475 8.827 -3.324
10 HB VAL 2 HB VAL 2 3.542 8.833 -0.302
11 HG11 VAL 2 1HG1 VAL 2 5.432 7.660 -2.341
12 HG12 VAL 2 2HG1 VAL 2 4.315 6.762 -1.315
13 HG13 VAL 2 3HG1 VAL 2 5.665 7.638 -0.593
14 HG21 VAL 2 1HG2 VAL 2 4.273 11.004 -1.124
15 HG22 VAL 2 2HG2 VAL 2 5.407 10.221 -2.225
16 HG23 VAL 2 3HG2 VAL 2 5.634 10.088 -0.480
17 H THR 3 H THR 3 2.763 6.923 -3.846
18 HA THR 3 HA THR 3 0.479 5.820 -2.404
19 HB THR 3 HB THR 3 1.613 4.936 -5.066
20 HG1 THR 3 1HG THR 3 0.944 6.989 -5.411
21 HG21 THR 3 1HG2 THR 3 -1.101 4.552 -3.777
22 HG22 THR 3 2HG2 THR 3 0.150 3.316 -3.924
23 HG23 THR 3 3HG2 THR 3 -0.627 3.961 -5.370
24 H TRP 4 H TRP 4 1.046 4.401 -0.861
25 HA TRP 4 HA TRP 4 3.498 2.841 -1.165
26 HB2 TRP 4 2HB TRP 4 1.682 3.227 1.228
27 HB3 TRP 4 1HB TRP 4 3.161 2.281 1.221
28 HD1 TRP 4 HD TRP 4 1.869 5.812 1.510
29 HE1 TRP 4 1HE TRP 4 3.844 7.393 2.083
30 HE3 TRP 4 3HE TRP 4 5.748 2.574 0.780
31 HZ2 TRP 4 2HZ TRP 4 6.647 7.267 2.194
32 HZ3 TRP 4 3HZ TRP 4 8.045 3.383 1.133
33 HH2 TRP 4 HH TRP 4 8.478 5.678 1.825
34 H CYS 5 H CYS 5 3.044 1.032 -2.317
35 HA CYS 5 HA CYS 5 0.602 -0.393 -1.654
36 HB2 CYS 5 2HB CYS 5 2.625 -0.962 -3.847
37 HB3 CYS 5 1HB CYS 5 1.116 -1.826 -3.595
38 H VAL 6 H VAL 6 0.729 -1.506 0.052
39 HA VAL 6 HA VAL 6 3.211 -2.890 0.727
40 HB VAL 6 HB VAL 6 2.182 -3.208 2.976
41 HG11 VAL 6 1HG1 VAL 6 2.194 -0.345 2.029
42 HG12 VAL 6 2HG1 VAL 6 3.593 -1.270 2.573
43 HG13 VAL 6 3HG1 VAL 6 2.303 -0.874 3.708
44 HG21 VAL 6 1HG2 VAL 6 -0.073 -1.525 1.868
45 HG22 VAL 6 2HG2 VAL 6 0.121 -1.977 3.558
46 HG23 VAL 6 3HG2 VAL 6 -0.177 -3.220 2.342
47 H ARG 7 H ARG 7 2.971 -5.122 1.535
48 HA ARG 7 HA ARG 7 0.856 -6.421 -0.006
49 HB2 ARG 7 2HB ARG 7 2.358 -8.287 -0.427
50 HB3 ARG 7 1HB ARG 7 3.041 -6.785 -1.027
51 HG2 ARG 7 2HG ARG 7 4.479 -6.670 0.967
52 HG3 ARG 7 1HG ARG 7 3.817 -8.212 1.512
53 HD2 ARG 7 2HD ARG 7 5.941 -8.592 0.427
54 HD3 ARG 7 1HD ARG 7 4.651 -9.248 -0.570
55 HE ARG 7 HE ARG 7 4.855 -7.353 -2.011
56 HH11 ARG 7 1HH1 ARG 7 7.552 -7.770 0.275
57 HH12 ARG 7 2HH1 ARG 7 8.674 -6.942 -0.683
58 HH21 ARG 7 1HH2 ARG 7 6.414 -6.179 -3.307
59 HH22 ARG 7 2HH2 ARG 7 8.000 -5.987 -2.762
60 H ILE 8 H ILE 8 -0.387 -7.801 0.922
61 HA ILE 8 HA ILE 8 0.346 -8.906 3.527
62 HB ILE 8 HB ILE 8 -2.489 -8.495 2.438
63 HG12 ILE 8 2HG1 ILE 8 -2.754 -6.908 4.463
64 HG13 ILE 8 1HG1 ILE 8 -1.002 -6.866 4.515
65 HG21 ILE 8 1HG2 ILE 8 -1.553 -9.447 5.125
66 HG22 ILE 8 2HG2 ILE 8 -2.322 -10.416 3.870
67 HG23 ILE 8 3HG2 ILE 8 -3.233 -9.143 4.687
68 HD11 ILE 8 1HD1 ILE 8 -2.730 -5.957 2.218
69 HD12 ILE 8 2HD1 ILE 8 -0.968 -5.906 2.261
70 HD13 ILE 8 3HD1 ILE 8 -1.906 -4.918 3.380
71 HA DPR 9 HA DPR 9 0.012 -12.934 1.571
72 HB2 DPR 9 1HB DPR 9 2.605 -12.987 0.541
73 HB3 DPR 9 2HB DPR 9 2.161 -13.516 2.164
74 HG2 DPR 9 1HG DPR 9 3.306 -10.912 1.262
75 HG3 DPR 9 2HG DPR 9 3.660 -11.852 2.724
76 HD2 DPR 9 1HD DPR 9 2.114 -9.684 2.813
77 HD3 DPR 9 2HD DPR 9 1.746 -11.111 3.810
78 HA PRO 10 HA PRO 10 0.079 -12.342 -2.899
79 HB2 PRO 10 2HB PRO 10 -2.361 -13.285 -3.414
80 HB3 PRO 10 1HB PRO 10 -1.046 -14.356 -2.918
81 HG2 PRO 10 2HG PRO 10 -3.300 -13.252 -1.293
82 HG3 PRO 10 1HG PRO 10 -2.616 -14.886 -1.299
83 HD2 PRO 10 2HD PRO 10 -2.000 -12.965 0.565
84 HD3 PRO 10 1HD PRO 10 -0.933 -14.317 0.139
85 H THR 11 H THR 11 -1.756 -10.617 -0.648
86 HA THR 11 HA THR 11 -3.227 -9.178 -2.735
87 HB THR 11 HB THR 11 -3.668 -9.144 0.255
88 HG1 THR 11 1HG THR 11 -4.607 -11.006 -0.049
89 HG21 THR 11 1HG2 THR 11 -4.573 -7.202 -0.958
90 HG22 THR 11 2HG2 THR 11 -5.871 -8.247 -0.371
91 HG23 THR 11 3HG2 THR 11 -5.401 -8.294 -2.069
92 H VAL 12 H VAL 12 -2.737 -7.055 -3.089
93 HA VAL 12 HA VAL 12 -0.817 -5.867 -1.245
94 HB VAL 12 HB VAL 12 -0.103 -4.367 -3.090
95 HG11 VAL 12 1HG1 VAL 12 1.159 -6.018 -4.380
96 HG12 VAL 12 2HG1 VAL 12 0.126 -7.298 -3.740
97 HG13 VAL 12 3HG1 VAL 12 1.170 -6.380 -2.653
98 HG21 VAL 12 1HG2 VAL 12 -2.146 -4.415 -4.448
99 HG22 VAL 12 2HG2 VAL 12 -1.844 -6.106 -4.850
100 HG23 VAL 12 3HG2 VAL 12 -0.736 -4.854 -5.411
101 H ARG 13 H ARG 13 -1.169 -3.838 -0.520
102 HA ARG 13 HA ARG 13 -3.804 -2.697 -1.159
103 HB2 ARG 13 2HB ARG 13 -3.736 -3.628 1.166
104 HB3 ARG 13 1HB ARG 13 -2.392 -2.549 1.524
105 HG2 ARG 13 2HG ARG 13 -3.864 -0.620 0.998
106 HG3 ARG 13 1HG ARG 13 -5.206 -1.742 0.807
107 HD2 ARG 13 2HD ARG 13 -4.847 -2.475 3.158
108 HD3 ARG 13 1HD ARG 13 -3.614 -1.223 3.320
109 HE ARG 13 HE ARG 13 -6.304 -0.448 2.486
110 HH11 ARG 13 1HH1 ARG 13 -3.798 -0.248 5.024
111 HH12 ARG 13 2HH1 ARG 13 -4.713 0.829 5.962
112 HH21 ARG 13 1HH2 ARG 13 -7.478 1.077 3.835
113 HH22 ARG 13 2HH2 ARG 13 -6.776 1.585 5.297
114 H CYS 14 H CYS 14 -3.427 -0.963 -2.339
115 HA CYS 14 HA CYS 14 -1.031 0.564 -1.850
116 HB2 CYS 14 2HB CYS 14 -3.158 0.863 -3.973
117 HB3 CYS 14 1HB CYS 14 -1.712 1.862 -3.851
118 H THR 15 H THR 15 -1.080 1.746 -0.206
119 HA THR 15 HA THR 15 -3.428 3.320 0.470
120 HB THR 15 HB THR 15 -0.843 2.794 1.889
121 HG1 THR 15 1HG THR 15 -3.407 1.600 1.972
122 HG21 THR 15 1HG2 THR 15 -1.998 3.724 3.898
123 HG22 THR 15 2HG2 THR 15 -3.359 4.171 2.863
124 HG23 THR 15 3HG2 THR 15 -1.783 4.909 2.614
125 H VAL 16 H VAL 16 -3.433 5.204 -0.460
126 HA VAL 16 HA VAL 16 -0.913 6.414 -1.204
127 HB VAL 16 HB VAL 16 -2.591 6.310 -2.992
128 HG11 VAL 16 1HG1 VAL 16 -4.300 8.054 -1.240
129 HG12 VAL 16 2HG1 VAL 16 -4.641 6.400 -1.762
130 HG13 VAL 16 3HG1 VAL 16 -4.603 7.709 -2.941
131 HG21 VAL 16 1HG2 VAL 16 -0.980 8.119 -3.067
132 HG22 VAL 16 2HG2 VAL 16 -2.043 9.135 -2.092
133 HG23 VAL 16 3HG2 VAL 16 -2.529 8.653 -3.718
134 H ARG 17 H ARG 17 -0.010 7.900 -0.133
135 HA ARG 17 HA ARG 17 -1.555 9.350 1.861
136 HB2 ARG 17 2HB ARG 17 1.344 8.475 1.953
137 HB3 ARG 17 1HB ARG 17 0.549 9.451 3.180
138 HG2 ARG 17 2HG ARG 17 -0.983 7.591 3.663
139 HG3 ARG 17 1HG ARG 17 -0.182 6.628 2.428
140 HD2 ARG 17 2HD ARG 17 0.622 6.033 4.635
141 HD3 ARG 17 1HD ARG 17 1.906 6.757 3.676
142 HE ARG 17 HE ARG 17 0.564 8.689 5.261
143 HH11 ARG 17 1HH1 ARG 17 2.994 6.101 5.426
144 HH12 ARG 17 2HH1 ARG 17 3.818 6.761 6.754
145 HH21 ARG 17 1HH2 ARG 17 1.729 9.591 7.124
146 HH22 ARG 17 2HH2 ARG 17 3.087 8.746 7.740
147 HA DPR 18 HA DPR 18 0.099 13.151 0.199
148 HB2 DPR 18 1HB DPR 18 -2.478 13.176 -1.272
149 HB3 DPR 18 2HB DPR 18 -1.776 14.405 -0.216
150 HG2 DPR 18 1HG DPR 18 -3.826 12.927 0.598
151 HG3 DPR 18 2HG DPR 18 -2.510 13.348 1.709
152 HD2 DPR 18 1HD DPR 18 -3.026 10.775 0.270
153 HD3 DPR 18 2HD DPR 18 -2.492 11.068 1.941
Start of MODEL 15
1 HA PRO 1 HA PRO 1 0.438 11.895 -4.522
2 HB2 PRO 1 2HB PRO 1 2.884 12.873 -4.728
3 HB3 PRO 1 1HB PRO 1 1.496 13.961 -4.595
4 HG2 PRO 1 2HG PRO 1 3.484 13.179 -2.507
5 HG3 PRO 1 1HG PRO 1 2.749 14.760 -2.819
6 HD2 PRO 1 2HD PRO 1 1.904 12.921 -0.886
7 HD3 PRO 1 1HD PRO 1 0.959 14.294 -1.500
8 H VAL 2 H VAL 2 1.470 10.539 -1.694
9 HA VAL 2 HA VAL 2 3.524 8.877 -2.966
10 HB VAL 2 HB VAL 2 2.990 9.289 -0.006
11 HG11 VAL 2 1HG1 VAL 2 3.988 7.132 -0.500
12 HG12 VAL 2 2HG1 VAL 2 5.144 8.183 0.318
13 HG13 VAL 2 3HG1 VAL 2 5.263 7.923 -1.423
14 HG21 VAL 2 1HG2 VAL 2 3.837 11.341 -1.012
15 HG22 VAL 2 2HG2 VAL 2 5.174 10.446 -1.734
16 HG23 VAL 2 3HG2 VAL 2 5.064 10.601 0.017
17 H THR 3 H THR 3 3.013 6.801 -3.346
18 HA THR 3 HA THR 3 0.661 5.742 -1.977
19 HB THR 3 HB THR 3 1.725 4.958 -4.702
20 HG1 THR 3 1HG THR 3 0.815 7.035 -4.554
21 HG21 THR 3 1HG2 THR 3 -0.826 4.214 -3.242
22 HG22 THR 3 2HG2 THR 3 0.533 3.137 -3.566
23 HG23 THR 3 3HG2 THR 3 -0.430 3.767 -4.903
24 H TRP 4 H TRP 4 1.170 4.330 -0.532
25 HA TRP 4 HA TRP 4 3.702 2.904 -0.687
26 HB2 TRP 4 2HB TRP 4 1.662 3.070 1.543
27 HB3 TRP 4 1HB TRP 4 3.225 2.275 1.628
28 HD1 TRP 4 HD TRP 4 1.564 5.579 2.143
29 HE1 TRP 4 1HE TRP 4 3.330 7.352 2.820
30 HE3 TRP 4 3HE TRP 4 5.814 2.949 1.080
31 HZ2 TRP 4 2HZ TRP 4 6.128 7.585 2.874
32 HZ3 TRP 4 3HZ TRP 4 7.991 4.020 1.466
33 HH2 TRP 4 HH TRP 4 8.139 6.289 2.343
34 H CYS 5 H CYS 5 3.357 1.204 -2.085
35 HA CYS 5 HA CYS 5 1.004 -0.421 -1.611
36 HB2 CYS 5 2HB CYS 5 3.105 -0.582 -3.779
37 HB3 CYS 5 1HB CYS 5 1.737 -1.683 -3.640
38 H VAL 6 H VAL 6 1.137 -1.690 -0.022
39 HA VAL 6 HA VAL 6 3.635 -3.120 0.471
40 HB VAL 6 HB VAL 6 2.974 -1.756 2.393
41 HG11 VAL 6 1HG1 VAL 6 0.596 -1.528 1.978
42 HG12 VAL 6 2HG1 VAL 6 0.881 -2.112 3.618
43 HG13 VAL 6 3HG1 VAL 6 0.349 -3.232 2.363
44 HG21 VAL 6 1HG2 VAL 6 2.434 -4.679 2.908
45 HG22 VAL 6 2HG2 VAL 6 2.812 -3.483 4.147
46 HG23 VAL 6 3HG2 VAL 6 4.012 -3.892 2.920
47 H ARG 7 H ARG 7 3.619 -5.292 0.402
48 HA ARG 7 HA ARG 7 1.140 -6.465 -0.527
49 HB2 ARG 7 2HB ARG 7 2.437 -8.457 -1.117
50 HB3 ARG 7 1HB ARG 7 3.095 -7.016 -1.867
51 HG2 ARG 7 2HG ARG 7 4.899 -6.969 -0.251
52 HG3 ARG 7 1HG ARG 7 4.203 -8.354 0.595
53 HD2 ARG 7 2HD ARG 7 4.489 -9.709 -1.411
54 HD3 ARG 7 1HD ARG 7 5.192 -8.324 -2.251
55 HE ARG 7 HE ARG 7 6.801 -8.506 -0.179
56 HH11 ARG 7 1HH1 ARG 7 5.526 -11.116 -2.198
57 HH12 ARG 7 2HH1 ARG 7 6.919 -12.076 -2.092
58 HH21 ARG 7 1HH2 ARG 7 8.746 -9.863 -0.014
59 HH22 ARG 7 2HH2 ARG 7 8.780 -11.356 -0.814
60 H ILE 8 H ILE 8 -0.122 -7.627 0.647
61 HA ILE 8 HA ILE 8 0.870 -8.710 3.168
62 HB ILE 8 HB ILE 8 -1.962 -7.747 2.537
63 HG12 ILE 8 2HG1 ILE 8 0.121 -6.455 4.323
64 HG13 ILE 8 1HG1 ILE 8 -0.331 -5.870 2.730
65 HG21 ILE 8 1HG2 ILE 8 -0.724 -8.673 5.135
66 HG22 ILE 8 2HG2 ILE 8 -1.872 -9.583 4.157
67 HG23 ILE 8 3HG2 ILE 8 -2.375 -8.081 4.934
68 HD11 ILE 8 1HD1 ILE 8 -2.137 -6.034 5.134
69 HD12 ILE 8 2HD1 ILE 8 -2.587 -5.419 3.542
70 HD13 ILE 8 3HD1 ILE 8 -1.373 -4.576 4.503
71 HA DPR 9 HA DPR 9 -0.640 -12.654 1.740
72 HB2 DPR 9 1HB DPR 9 1.688 -13.559 0.570
73 HB3 DPR 9 2HB DPR 9 1.381 -13.626 2.309
74 HG2 DPR 9 1HG DPR 9 2.954 -11.633 0.731
75 HG3 DPR 9 2HG DPR 9 3.330 -12.360 2.303
76 HD2 DPR 9 1HD DPR 9 2.332 -9.874 2.080
77 HD3 DPR 9 2HD DPR 9 1.903 -10.933 3.437
78 HA PRO 10 HA PRO 10 -0.793 -12.355 -2.755
79 HB2 PRO 10 2HB PRO 10 -3.275 -13.209 -3.077
80 HB3 PRO 10 1HB PRO 10 -1.994 -14.324 -2.602
81 HG2 PRO 10 2HG PRO 10 -4.126 -13.076 -0.929
82 HG3 PRO 10 1HG PRO 10 -3.450 -14.712 -0.844
83 HD2 PRO 10 2HD PRO 10 -2.735 -12.564 0.785
84 HD3 PRO 10 1HD PRO 10 -1.787 -14.047 0.554
85 H THR 11 H THR 11 -2.185 -10.364 -0.442
86 HA THR 11 HA THR 11 -3.708 -8.880 -2.457
87 HB THR 11 HB THR 11 -3.789 -8.609 0.544
88 HG1 THR 11 1HG THR 11 -5.263 -10.185 -1.288
89 HG21 THR 11 1HG2 THR 11 -4.529 -6.606 -0.675
90 HG22 THR 11 2HG2 THR 11 -5.888 -7.381 0.139
91 HG23 THR 11 3HG2 THR 11 -5.669 -7.589 -1.598
92 H VAL 12 H VAL 12 -2.829 -7.029 -3.115
93 HA VAL 12 HA VAL 12 -0.638 -5.937 -1.541
94 HB VAL 12 HB VAL 12 0.035 -6.413 -3.853
95 HG11 VAL 12 1HG1 VAL 12 -2.097 -6.313 -4.978
96 HG12 VAL 12 2HG1 VAL 12 -0.942 -5.239 -5.771
97 HG13 VAL 12 3HG1 VAL 12 -2.181 -4.571 -4.712
98 HG21 VAL 12 1HG2 VAL 12 -0.236 -3.446 -3.376
99 HG22 VAL 12 2HG2 VAL 12 0.867 -4.197 -4.529
100 HG23 VAL 12 3HG2 VAL 12 1.068 -4.485 -2.800
101 H ARG 13 H ARG 13 -0.927 -4.140 -0.470
102 HA ARG 13 HA ARG 13 -3.442 -2.741 -0.941
103 HB2 ARG 13 2HB ARG 13 -3.267 -3.730 1.296
104 HB3 ARG 13 1HB ARG 13 -1.759 -2.862 1.571
105 HG2 ARG 13 2HG ARG 13 -2.918 -0.749 1.368
106 HG3 ARG 13 1HG ARG 13 -4.426 -1.597 1.057
107 HD2 ARG 13 2HD ARG 13 -4.321 -2.571 3.306
108 HD3 ARG 13 1HD ARG 13 -2.808 -1.701 3.596
109 HE ARG 13 HE ARG 13 -4.866 0.023 2.719
110 HH11 ARG 13 1HH1 ARG 13 -3.705 -1.622 5.635
111 HH12 ARG 13 2HH1 ARG 13 -4.385 -0.510 6.718
112 HH21 ARG 13 1HH2 ARG 13 -5.772 1.613 4.232
113 HH22 ARG 13 2HH2 ARG 13 -5.547 1.393 5.897
114 H CYS 14 H CYS 14 -3.206 -0.935 -2.006
115 HA CYS 14 HA CYS 14 -0.711 0.527 -1.715
116 HB2 CYS 14 2HB CYS 14 -2.846 0.662 -3.850
117 HB3 CYS 14 1HB CYS 14 -1.494 1.790 -3.751
118 H THR 15 H THR 15 -0.847 1.663 0.012
119 HA THR 15 HA THR 15 -3.237 3.134 0.704
120 HB THR 15 HB THR 15 -0.555 2.956 2.050
121 HG1 THR 15 1HG THR 15 -2.755 1.260 1.921
122 HG21 THR 15 1HG2 THR 15 -1.966 4.825 2.818
123 HG22 THR 15 2HG2 THR 15 -1.787 3.602 4.073
124 HG23 THR 15 3HG2 THR 15 -3.282 3.695 3.148
125 H VAL 16 H VAL 16 -3.486 5.063 -0.149
126 HA VAL 16 HA VAL 16 -1.188 6.489 -1.222
127 HB VAL 16 HB VAL 16 -4.135 7.126 -1.543
128 HG11 VAL 16 1HG1 VAL 16 -1.723 8.187 -3.013
129 HG12 VAL 16 2HG1 VAL 16 -2.715 9.080 -1.862
130 HG13 VAL 16 3HG1 VAL 16 -3.403 8.555 -3.400
131 HG21 VAL 16 1HG2 VAL 16 -2.250 5.735 -3.439
132 HG22 VAL 16 2HG2 VAL 16 -3.917 6.191 -3.790
133 HG23 VAL 16 3HG2 VAL 16 -3.575 4.977 -2.555
134 H ARG 17 H ARG 17 -0.265 7.961 -0.092
135 HA ARG 17 HA ARG 17 -1.828 9.557 1.807
136 HB2 ARG 17 2HB ARG 17 1.107 8.797 1.955
137 HB3 ARG 17 1HB ARG 17 0.294 9.889 3.063
138 HG2 ARG 17 2HG ARG 17 -0.289 6.950 2.716
139 HG3 ARG 17 1HG ARG 17 0.588 7.690 4.057
140 HD2 ARG 17 2HD ARG 17 -1.422 8.960 4.656
141 HD3 ARG 17 1HD ARG 17 -2.290 8.213 3.317
142 HE ARG 17 HE ARG 17 -1.128 6.523 5.387
143 HH11 ARG 17 1HH1 ARG 17 -4.023 7.761 3.745
144 HH12 ARG 17 2HH1 ARG 17 -5.102 6.739 4.573
145 HH21 ARG 17 1HH2 ARG 17 -2.603 5.145 6.514
146 HH22 ARG 17 2HH2 ARG 17 -4.287 5.225 6.219
147 HA DPR 18 HA DPR 18 -0.365 13.209 -0.274
148 HB2 DPR 18 1HB DPR 18 -2.607 13.561 -1.871
149 HB3 DPR 18 2HB DPR 18 -2.459 14.150 -0.214
150 HG2 DPR 18 1HG DPR 18 -3.817 11.701 -1.250
151 HG3 DPR 18 2HG DPR 18 -4.308 12.780 0.063
152 HD2 DPR 18 1HD DPR 18 -3.189 10.378 0.510
153 HD3 DPR 18 2HD DPR 18 -2.909 11.763 1.588
Start of MODEL 16
1 HA PRO 1 HA PRO 1 1.098 12.655 -3.229
2 HB2 PRO 1 2HB PRO 1 3.658 13.281 -3.067
3 HB3 PRO 1 1HB PRO 1 2.412 14.460 -2.638
4 HG2 PRO 1 2HG PRO 1 4.177 12.847 -0.859
5 HG3 PRO 1 1HG PRO 1 3.584 14.502 -0.650
6 HD2 PRO 1 2HD PRO 1 2.489 12.174 0.511
7 HD3 PRO 1 1HD PRO 1 1.753 13.789 0.458
8 H VAL 2 H VAL 2 1.826 10.260 -0.988
9 HA VAL 2 HA VAL 2 3.597 8.931 -2.908
10 HB VAL 2 HB VAL 2 3.604 8.478 0.086
11 HG11 VAL 2 1HG1 VAL 2 4.313 6.517 -1.187
12 HG12 VAL 2 2HG1 VAL 2 5.670 7.231 -0.322
13 HG13 VAL 2 3HG1 VAL 2 5.497 7.495 -2.056
14 HG21 VAL 2 1HG2 VAL 2 5.770 9.654 0.067
15 HG22 VAL 2 2HG2 VAL 2 4.441 10.698 -0.427
16 HG23 VAL 2 3HG2 VAL 2 5.535 10.033 -1.638
17 H THR 3 H THR 3 3.014 7.068 -3.699
18 HA THR 3 HA THR 3 0.548 5.821 -2.786
19 HB THR 3 HB THR 3 2.226 5.252 -5.246
20 HG1 THR 3 1HG THR 3 -0.143 6.521 -5.705
21 HG21 THR 3 1HG2 THR 3 0.158 4.198 -6.092
22 HG22 THR 3 2HG2 THR 3 -0.641 4.539 -4.556
23 HG23 THR 3 3HG2 THR 3 0.716 3.418 -4.614
24 H TRP 4 H TRP 4 0.936 4.377 -1.181
25 HA TRP 4 HA TRP 4 3.381 2.771 -1.259
26 HB2 TRP 4 2HB TRP 4 1.296 3.071 0.914
27 HB3 TRP 4 1HB TRP 4 2.760 2.111 1.030
28 HD1 TRP 4 HD TRP 4 1.557 5.742 0.996
29 HE1 TRP 4 1HE TRP 4 3.403 7.219 2.026
30 HE3 TRP 4 3HE TRP 4 5.258 2.258 1.406
31 HZ2 TRP 4 2HZ TRP 4 6.060 6.946 2.880
32 HZ3 TRP 4 3HZ TRP 4 7.429 2.943 2.338
33 HH2 TRP 4 HH TRP 4 7.822 5.236 3.056
34 H CYS 5 H CYS 5 3.131 0.945 -2.407
35 HA CYS 5 HA CYS 5 0.615 -0.498 -2.148
36 HB2 CYS 5 2HB CYS 5 2.837 -0.737 -4.187
37 HB3 CYS 5 1HB CYS 5 1.478 -1.851 -4.092
38 H VAL 6 H VAL 6 0.710 -1.618 -0.388
39 HA VAL 6 HA VAL 6 3.157 -3.081 0.210
40 HB VAL 6 HB VAL 6 2.375 -1.645 2.026
41 HG11 VAL 6 1HG1 VAL 6 -0.163 -3.261 2.007
42 HG12 VAL 6 2HG1 VAL 6 0.011 -1.558 1.583
43 HG13 VAL 6 3HG1 VAL 6 0.288 -2.086 3.243
44 HG21 VAL 6 1HG2 VAL 6 2.025 -4.571 2.675
45 HG22 VAL 6 2HG2 VAL 6 2.297 -3.296 3.861
46 HG23 VAL 6 3HG2 VAL 6 3.543 -3.673 2.672
47 H ARG 7 H ARG 7 3.244 -5.170 0.078
48 HA ARG 7 HA ARG 7 0.856 -6.617 -0.698
49 HB2 ARG 7 2HB ARG 7 3.782 -7.303 -0.835
50 HB3 ARG 7 1HB ARG 7 2.510 -8.468 -1.166
51 HG2 ARG 7 2HG ARG 7 1.745 -7.215 -3.033
52 HG3 ARG 7 1HG ARG 7 2.817 -5.870 -2.641
53 HD2 ARG 7 2HD ARG 7 3.748 -8.650 -3.329
54 HD3 ARG 7 1HD ARG 7 3.669 -7.317 -4.483
55 HE ARG 7 HE ARG 7 5.087 -6.288 -2.471
56 HH11 ARG 7 1HH1 ARG 7 5.486 -9.243 -4.375
57 HH12 ARG 7 2HH1 ARG 7 7.176 -9.284 -4.252
58 HH21 ARG 7 1HH2 ARG 7 7.416 -6.331 -2.266
59 HH22 ARG 7 2HH2 ARG 7 8.304 -7.554 -3.030
60 H ILE 8 H ILE 8 -0.224 -7.124 0.978
61 HA ILE 8 HA ILE 8 1.073 -8.171 3.362
62 HB ILE 8 HB ILE 8 -1.828 -7.412 2.823
63 HG12 ILE 8 2HG1 ILE 8 0.306 -6.023 4.464
64 HG13 ILE 8 1HG1 ILE 8 -0.303 -5.490 2.905
65 HG21 ILE 8 1HG2 ILE 8 -1.704 -9.194 4.478
66 HG22 ILE 8 2HG2 ILE 8 -2.173 -7.677 5.248
67 HG23 ILE 8 3HG2 ILE 8 -0.523 -8.275 5.409
68 HD11 ILE 8 1HD1 ILE 8 -2.499 -5.120 3.890
69 HD12 ILE 8 2HD1 ILE 8 -1.249 -4.201 4.730
70 HD13 ILE 8 3HD1 ILE 8 -1.894 -5.679 5.449
71 HA DPR 9 HA DPR 9 -0.509 -12.326 2.621
72 HB2 DPR 9 1HB DPR 9 2.352 -12.859 2.037
73 HB3 DPR 9 2HB DPR 9 1.287 -13.661 3.195
74 HG2 DPR 9 1HG DPR 9 3.222 -11.988 3.983
75 HG3 DPR 9 2HG DPR 9 1.670 -12.084 4.833
76 HD2 DPR 9 1HD DPR 9 2.664 -10.014 2.928
77 HD3 DPR 9 2HD DPR 9 1.663 -9.831 4.380
78 HA PRO 10 HA PRO 10 0.283 -12.511 -1.838
79 HB2 PRO 10 2HB PRO 10 -2.027 -13.774 -2.476
80 HB3 PRO 10 1HB PRO 10 -0.603 -14.620 -1.865
81 HG2 PRO 10 2HG PRO 10 -3.169 -14.183 -0.558
82 HG3 PRO 10 1HG PRO 10 -1.835 -15.228 -0.060
83 HD2 PRO 10 2HD PRO 10 -2.535 -12.543 0.873
84 HD3 PRO 10 1HD PRO 10 -1.418 -13.737 1.582
85 H THR 11 H THR 11 -1.596 -10.480 -0.143
86 HA THR 11 HA THR 11 -3.054 -9.493 -2.494
87 HB THR 11 HB THR 11 -4.425 -8.212 -0.696
88 HG1 THR 11 1HG THR 11 -2.769 -9.430 0.937
89 HG21 THR 11 1HG2 THR 11 -5.356 -9.974 -2.081
90 HG22 THR 11 2HG2 THR 11 -5.944 -10.136 -0.424
91 HG23 THR 11 3HG2 THR 11 -4.662 -11.195 -1.019
92 H VAL 12 H VAL 12 -3.211 -7.134 -2.752
93 HA VAL 12 HA VAL 12 -0.976 -5.796 -1.441
94 HB VAL 12 HB VAL 12 -0.307 -6.377 -3.737
95 HG11 VAL 12 1HG1 VAL 12 -2.645 -4.717 -4.641
96 HG12 VAL 12 2HG1 VAL 12 -2.424 -6.455 -4.858
97 HG13 VAL 12 3HG1 VAL 12 -1.361 -5.320 -5.689
98 HG21 VAL 12 1HG2 VAL 12 -0.734 -3.415 -3.355
99 HG22 VAL 12 2HG2 VAL 12 0.380 -4.135 -4.516
100 HG23 VAL 12 3HG2 VAL 12 0.641 -4.360 -2.786
101 H ARG 13 H ARG 13 -1.312 -3.806 -0.748
102 HA ARG 13 HA ARG 13 -3.918 -2.561 -1.335
103 HB2 ARG 13 2HB ARG 13 -2.238 -2.246 1.155
104 HB3 ARG 13 1HB ARG 13 -3.757 -1.445 0.831
105 HG2 ARG 13 2HG ARG 13 -4.873 -3.655 0.871
106 HG3 ARG 13 1HG ARG 13 -3.321 -4.378 1.324
107 HD2 ARG 13 2HD ARG 13 -3.217 -2.873 3.259
108 HD3 ARG 13 1HD ARG 13 -4.798 -2.234 2.821
109 HE ARG 13 HE ARG 13 -4.830 -5.049 3.141
110 HH11 ARG 13 1HH1 ARG 13 -4.916 -1.994 4.884
111 HH12 ARG 13 2HH1 ARG 13 -5.637 -2.624 6.290
112 HH21 ARG 13 1HH2 ARG 13 -5.805 -5.951 5.098
113 HH22 ARG 13 2HH2 ARG 13 -6.126 -4.922 6.416
114 H CYS 14 H CYS 14 -3.590 -0.838 -2.591
115 HA CYS 14 HA CYS 14 -1.079 0.599 -2.284
116 HB2 CYS 14 2HB CYS 14 -3.074 0.620 -4.552
117 HB3 CYS 14 1HB CYS 14 -1.675 1.686 -4.457
118 H THR 15 H THR 15 -1.358 1.843 -0.649
119 HA THR 15 HA THR 15 -3.759 3.475 -0.431
120 HB THR 15 HB THR 15 -2.737 4.018 1.825
121 HG1 THR 15 1HG THR 15 -0.618 3.242 0.965
122 HG21 THR 15 1HG2 THR 15 -4.505 2.318 1.565
123 HG22 THR 15 2HG2 THR 15 -3.354 1.855 2.816
124 HG23 THR 15 3HG2 THR 15 -3.276 1.100 1.223
125 H VAL 16 H VAL 16 -3.632 5.452 -1.288
126 HA VAL 16 HA VAL 16 -1.032 6.639 -1.748
127 HB VAL 16 HB VAL 16 -3.774 7.752 -2.432
128 HG11 VAL 16 1HG1 VAL 16 -2.027 9.466 -2.294
129 HG12 VAL 16 2HG1 VAL 16 -2.545 9.233 -3.963
130 HG13 VAL 16 3HG1 VAL 16 -1.023 8.539 -3.408
131 HG21 VAL 16 1HG2 VAL 16 -3.332 5.630 -3.595
132 HG22 VAL 16 2HG2 VAL 16 -1.821 6.300 -4.212
133 HG23 VAL 16 3HG2 VAL 16 -3.362 6.997 -4.704
134 H ARG 17 H ARG 17 -0.194 7.454 -0.042
135 HA ARG 17 HA ARG 17 -1.847 8.853 1.902
136 HB2 ARG 17 2HB ARG 17 0.975 7.765 2.083
137 HB3 ARG 17 1HB ARG 17 0.155 8.636 3.370
138 HG2 ARG 17 2HG ARG 17 -1.494 6.894 3.567
139 HG3 ARG 17 1HG ARG 17 -0.815 6.046 2.182
140 HD2 ARG 17 2HD ARG 17 -0.125 5.003 4.268
141 HD3 ARG 17 1HD ARG 17 1.260 5.688 3.428
142 HE ARG 17 HE ARG 17 0.748 7.662 5.050
143 HH11 ARG 17 1HH1 ARG 17 0.553 4.200 5.837
144 HH12 ARG 17 2HH1 ARG 17 1.092 4.398 7.429
145 HH21 ARG 17 1HH2 ARG 17 1.464 7.912 7.273
146 HH22 ARG 17 2HH2 ARG 17 1.604 6.542 8.269
147 HA DPR 18 HA DPR 18 0.122 12.799 1.147
148 HB2 DPR 18 1HB DPR 18 -2.319 13.200 -0.504
149 HB3 DPR 18 2HB DPR 18 -1.663 14.225 0.771
150 HG2 DPR 18 1HG DPR 18 -3.826 12.730 1.196
151 HG3 DPR 18 2HG DPR 18 -2.596 12.942 2.452
152 HD2 DPR 18 1HD DPR 18 -3.110 10.594 0.686
153 HD3 DPR 18 2HD DPR 18 -2.606 10.666 2.388
Start of MODEL 17
1 HA PRO 1 HA PRO 1 0.389 12.654 -3.599
2 HB2 PRO 1 2HB PRO 1 2.846 13.516 -4.025
3 HB3 PRO 1 1HB PRO 1 1.597 14.625 -3.440
4 HG2 PRO 1 2HG PRO 1 3.834 13.339 -1.938
5 HG3 PRO 1 1HG PRO 1 3.153 14.965 -1.758
6 HD2 PRO 1 2HD PRO 1 2.536 12.709 -0.185
7 HD3 PRO 1 1HD PRO 1 1.640 14.238 -0.239
8 H VAL 2 H VAL 2 1.683 10.585 -1.349
9 HA VAL 2 HA VAL 2 3.301 9.147 -3.344
10 HB VAL 2 HB VAL 2 3.592 8.993 -0.329
11 HG11 VAL 2 1HG1 VAL 2 5.684 7.816 -0.798
12 HG12 VAL 2 2HG1 VAL 2 5.349 7.921 -2.525
13 HG13 VAL 2 3HG1 VAL 2 4.296 6.966 -1.482
14 HG21 VAL 2 1HG2 VAL 2 5.666 10.263 -0.586
15 HG22 VAL 2 2HG2 VAL 2 4.276 11.207 -1.127
16 HG23 VAL 2 3HG2 VAL 2 5.345 10.446 -2.308
17 H THR 3 H THR 3 2.603 7.158 -3.872
18 HA THR 3 HA THR 3 0.499 5.965 -2.233
19 HB THR 3 HB THR 3 1.254 5.399 -5.116
20 HG1 THR 3 1HG THR 3 0.207 7.311 -5.046
21 HG21 THR 3 1HG2 THR 3 -0.789 4.042 -5.183
22 HG22 THR 3 2HG2 THR 3 -1.070 4.365 -3.472
23 HG23 THR 3 3HG2 THR 3 0.330 3.415 -3.972
24 H TRP 4 H TRP 4 1.055 4.353 -0.988
25 HA TRP 4 HA TRP 4 3.542 2.910 -1.502
26 HB2 TRP 4 2HB TRP 4 1.863 3.168 1.003
27 HB3 TRP 4 1HB TRP 4 3.304 2.168 0.869
28 HD1 TRP 4 HD TRP 4 2.192 5.783 1.271
29 HE1 TRP 4 1HE TRP 4 4.276 7.245 1.734
30 HE3 TRP 4 3HE TRP 4 5.839 2.314 0.417
31 HZ2 TRP 4 2HZ TRP 4 7.067 6.954 1.729
32 HZ3 TRP 4 3HZ TRP 4 8.185 2.990 0.674
33 HH2 TRP 4 HH TRP 4 8.778 5.269 1.319
34 H CYS 5 H CYS 5 3.422 0.889 -2.190
35 HA CYS 5 HA CYS 5 0.854 -0.479 -1.948
36 HB2 CYS 5 2HB CYS 5 3.016 -0.784 -4.035
37 HB3 CYS 5 1HB CYS 5 1.631 -1.858 -3.893
38 H VAL 6 H VAL 6 0.809 -1.984 -0.535
39 HA VAL 6 HA VAL 6 3.322 -3.300 0.236
40 HB VAL 6 HB VAL 6 0.868 -2.845 1.963
41 HG11 VAL 6 1HG1 VAL 6 2.304 -3.525 3.827
42 HG12 VAL 6 2HG1 VAL 6 3.619 -3.834 2.693
43 HG13 VAL 6 3HG1 VAL 6 2.145 -4.799 2.615
44 HG21 VAL 6 1HG2 VAL 6 1.923 -0.699 1.511
45 HG22 VAL 6 2HG2 VAL 6 3.486 -1.344 1.998
46 HG23 VAL 6 3HG2 VAL 6 2.195 -1.170 3.188
47 H ARG 7 H ARG 7 3.291 -5.493 0.117
48 HA ARG 7 HA ARG 7 0.821 -6.725 -0.789
49 HB2 ARG 7 2HB ARG 7 2.992 -7.187 -1.977
50 HB3 ARG 7 1HB ARG 7 3.576 -7.950 -0.506
51 HG2 ARG 7 2HG ARG 7 1.657 -9.552 -0.683
52 HG3 ARG 7 1HG ARG 7 1.313 -8.858 -2.267
53 HD2 ARG 7 2HD ARG 7 3.856 -10.235 -1.410
54 HD3 ARG 7 1HD ARG 7 2.642 -10.869 -2.515
55 HE ARG 7 HE ARG 7 3.529 -8.451 -3.553
56 HH11 ARG 7 1HH1 ARG 7 4.897 -11.641 -2.887
57 HH12 ARG 7 2HH1 ARG 7 6.069 -11.551 -4.120
58 HH21 ARG 7 1HH2 ARG 7 5.140 -8.336 -5.230
59 HH22 ARG 7 2HH2 ARG 7 6.200 -9.653 -5.478
60 H ILE 8 H ILE 8 -0.415 -7.001 0.935
61 HA ILE 8 HA ILE 8 0.729 -8.069 3.385
62 HB ILE 8 HB ILE 8 -2.134 -7.184 2.803
63 HG12 ILE 8 2HG1 ILE 8 0.086 -5.743 4.285
64 HG13 ILE 8 1HG1 ILE 8 -0.514 -5.323 2.688
65 HG21 ILE 8 1HG2 ILE 8 -0.774 -7.829 5.433
66 HG22 ILE 8 2HG2 ILE 8 -1.976 -8.834 4.628
67 HG23 ILE 8 3HG2 ILE 8 -2.430 -7.248 5.248
68 HD11 ILE 8 1HD1 ILE 8 -2.073 -5.197 5.260
69 HD12 ILE 8 2HD1 ILE 8 -2.688 -4.772 3.664
70 HD13 ILE 8 3HD1 ILE 8 -1.387 -3.827 4.387
71 HA DPR 9 HA DPR 9 -1.149 -12.101 2.669
72 HB2 DPR 9 1HB DPR 9 1.697 -12.928 2.589
73 HB3 DPR 9 2HB DPR 9 0.401 -13.527 3.625
74 HG2 DPR 9 1HG DPR 9 2.377 -11.985 4.588
75 HG3 DPR 9 2HG DPR 9 0.717 -11.877 5.201
76 HD2 DPR 9 1HD DPR 9 2.158 -10.066 3.307
77 HD3 DPR 9 2HD DPR 9 1.030 -9.672 4.621
78 HA PRO 10 HA PRO 10 0.300 -12.429 -1.614
79 HB2 PRO 10 2HB PRO 10 -1.893 -13.549 -2.613
80 HB3 PRO 10 1HB PRO 10 -0.791 -14.482 -1.593
81 HG2 PRO 10 2HG PRO 10 -3.471 -13.371 -0.955
82 HG3 PRO 10 1HG PRO 10 -2.657 -14.807 -0.313
83 HD2 PRO 10 2HD PRO 10 -2.822 -12.217 0.879
84 HD3 PRO 10 1HD PRO 10 -1.916 -13.627 1.465
85 H THR 11 H THR 11 -1.851 -10.381 -0.114
86 HA THR 11 HA THR 11 -3.194 -9.474 -2.520
87 HB THR 11 HB THR 11 -3.590 -8.617 0.309
88 HG1 THR 11 1HG THR 11 -4.466 -10.853 -1.175
89 HG21 THR 11 1HG2 THR 11 -4.586 -7.157 -1.388
90 HG22 THR 11 2HG2 THR 11 -5.842 -8.011 -0.491
91 HG23 THR 11 3HG2 THR 11 -5.401 -8.542 -2.116
92 H VAL 12 H VAL 12 -2.373 -7.827 -3.534
93 HA VAL 12 HA VAL 12 -0.448 -6.032 -2.305
94 HB VAL 12 HB VAL 12 -1.545 -6.003 -5.130
95 HG11 VAL 12 1HG1 VAL 12 0.428 -4.639 -5.657
96 HG12 VAL 12 2HG1 VAL 12 0.879 -4.646 -3.949
97 HG13 VAL 12 3HG1 VAL 12 -0.608 -3.856 -4.463
98 HG21 VAL 12 1HG2 VAL 12 -0.395 -8.094 -4.683
99 HG22 VAL 12 2HG2 VAL 12 1.002 -7.215 -4.069
100 HG23 VAL 12 3HG2 VAL 12 0.560 -7.091 -5.776
101 H ARG 13 H ARG 13 -1.230 -4.444 -1.144
102 HA ARG 13 HA ARG 13 -3.661 -3.091 -2.069
103 HB2 ARG 13 2HB ARG 13 -2.627 -3.515 0.725
104 HB3 ARG 13 1HB ARG 13 -3.881 -2.353 0.339
105 HG2 ARG 13 2HG ARG 13 -5.301 -4.163 -0.494
106 HG3 ARG 13 1HG ARG 13 -4.035 -5.329 -0.092
107 HD2 ARG 13 2HD ARG 13 -5.804 -5.172 1.633
108 HD3 ARG 13 1HD ARG 13 -4.199 -4.769 2.240
109 HE ARG 13 HE ARG 13 -5.792 -2.527 1.343
110 HH11 ARG 13 1HH1 ARG 13 -4.929 -4.521 4.143
111 HH12 ARG 13 2HH1 ARG 13 -5.190 -3.288 5.274
112 HH21 ARG 13 1HH2 ARG 13 -6.194 -0.863 2.860
113 HH22 ARG 13 2HH2 ARG 13 -5.978 -1.107 4.524
114 H CYS 14 H CYS 14 -3.554 -0.954 -2.387
115 HA CYS 14 HA CYS 14 -0.982 0.288 -1.777
116 HB2 CYS 14 2HB CYS 14 -2.791 0.842 -4.131
117 HB3 CYS 14 1HB CYS 14 -1.295 1.690 -3.771
118 H THR 15 H THR 15 -1.030 1.940 -0.529
119 HA THR 15 HA THR 15 -3.583 3.239 -0.061
120 HB THR 15 HB THR 15 -2.977 1.992 1.908
121 HG1 THR 15 1HG THR 15 -3.736 4.125 2.249
122 HG21 THR 15 1HG2 THR 15 -0.841 2.278 3.095
123 HG22 THR 15 2HG2 THR 15 -0.290 3.365 1.816
124 HG23 THR 15 3HG2 THR 15 -0.597 1.667 1.456
125 H VAL 16 H VAL 16 -3.619 5.409 -0.274
126 HA VAL 16 HA VAL 16 -1.159 6.601 -1.230
127 HB VAL 16 HB VAL 16 -3.006 6.751 -2.808
128 HG11 VAL 16 1HG1 VAL 16 -4.902 6.691 -1.326
129 HG12 VAL 16 2HG1 VAL 16 -5.002 8.101 -2.382
130 HG13 VAL 16 3HG1 VAL 16 -4.494 8.289 -0.704
131 HG21 VAL 16 1HG2 VAL 16 -2.322 9.444 -1.633
132 HG22 VAL 16 2HG2 VAL 16 -2.998 9.175 -3.240
133 HG23 VAL 16 3HG2 VAL 16 -1.394 8.558 -2.845
134 H ARG 17 H ARG 17 -0.057 7.839 -0.046
135 HA ARG 17 HA ARG 17 -1.342 9.197 2.191
136 HB2 ARG 17 2HB ARG 17 1.433 8.027 1.986
137 HB3 ARG 17 1HB ARG 17 0.918 9.111 3.272
138 HG2 ARG 17 2HG ARG 17 -0.252 6.403 2.669
139 HG3 ARG 17 1HG ARG 17 0.812 6.813 4.017
140 HD2 ARG 17 2HD ARG 17 -1.982 7.860 3.530
141 HD3 ARG 17 1HD ARG 17 -1.461 6.782 4.813
142 HE ARG 17 HE ARG 17 0.052 8.719 5.462
143 HH11 ARG 17 1HH1 ARG 17 -3.259 9.078 4.249
144 HH12 ARG 17 2HH1 ARG 17 -3.461 10.628 4.901
145 HH21 ARG 17 1HH2 ARG 17 -0.252 10.827 6.354
146 HH22 ARG 17 2HH2 ARG 17 -1.733 11.649 6.141
147 HA DPR 18 HA DPR 18 0.386 13.027 0.889
148 HB2 DPR 18 1HB DPR 18 -1.946 14.045 -0.189
149 HB3 DPR 18 2HB DPR 18 -1.557 14.097 1.533
150 HG2 DPR 18 1HG DPR 18 -3.311 12.208 0.037
151 HG3 DPR 18 2HG DPR 18 -3.541 12.927 1.642
152 HD2 DPR 18 1HD DPR 18 -2.696 10.396 1.285
153 HD3 DPR 18 2HD DPR 18 -2.163 11.387 2.662
Start of MODEL 18
1 HA PRO 1 HA PRO 1 0.168 12.104 -4.645
2 HB2 PRO 1 2HB PRO 1 2.632 12.928 -5.167
3 HB3 PRO 1 1HB PRO 1 1.353 14.089 -4.792
4 HG2 PRO 1 2HG PRO 1 3.574 13.104 -3.064
5 HG3 PRO 1 1HG PRO 1 2.873 14.726 -3.176
6 HD2 PRO 1 2HD PRO 1 2.248 12.797 -1.240
7 HD3 PRO 1 1HD PRO 1 1.310 14.257 -1.611
8 H VAL 2 H VAL 2 1.603 10.480 -2.091
9 HA VAL 2 HA VAL 2 3.203 8.795 -3.892
10 HB VAL 2 HB VAL 2 3.620 9.123 -0.907
11 HG11 VAL 2 1HG1 VAL 2 5.314 7.778 -3.007
12 HG12 VAL 2 2HG1 VAL 2 4.366 6.972 -1.758
13 HG13 VAL 2 3HG1 VAL 2 5.748 7.972 -1.309
14 HG21 VAL 2 1HG2 VAL 2 4.160 11.206 -2.047
15 HG22 VAL 2 2HG2 VAL 2 5.180 10.335 -3.191
16 HG23 VAL 2 3HG2 VAL 2 5.633 10.413 -1.490
17 H THR 3 H THR 3 2.687 6.746 -4.074
18 HA THR 3 HA THR 3 0.456 5.673 -2.553
19 HB THR 3 HB THR 3 1.936 4.216 -4.722
20 HG1 THR 3 1HG THR 3 -0.109 6.136 -5.281
21 HG21 THR 3 1HG2 THR 3 -0.338 3.394 -5.211
22 HG22 THR 3 2HG2 THR 3 -0.983 4.448 -3.957
23 HG23 THR 3 3HG2 THR 3 0.090 3.118 -3.523
24 H TRP 4 H TRP 4 0.799 4.153 -0.951
25 HA TRP 4 HA TRP 4 3.440 2.905 -0.827
26 HB2 TRP 4 2HB TRP 4 1.625 3.688 1.466
27 HB3 TRP 4 1HB TRP 4 3.115 2.767 1.637
28 HD1 TRP 4 HD TRP 4 1.822 6.276 1.346
29 HE1 TRP 4 1HE TRP 4 3.830 7.943 1.447
30 HE3 TRP 4 3HE TRP 4 5.689 2.993 0.870
31 HZ2 TRP 4 2HZ TRP 4 6.610 7.854 1.321
32 HZ3 TRP 4 3HZ TRP 4 7.991 3.873 0.857
33 HH2 TRP 4 HH TRP 4 8.419 6.257 1.079
34 H CYS 5 H CYS 5 3.155 0.984 -1.665
35 HA CYS 5 HA CYS 5 0.771 -0.559 -0.993
36 HB2 CYS 5 2HB CYS 5 2.850 -0.988 -3.141
37 HB3 CYS 5 1HB CYS 5 1.422 -1.982 -2.884
38 H VAL 6 H VAL 6 0.936 -2.006 0.514
39 HA VAL 6 HA VAL 6 3.495 -3.378 0.851
40 HB VAL 6 HB VAL 6 2.717 -3.977 3.179
41 HG11 VAL 6 1HG1 VAL 6 3.137 -1.777 4.194
42 HG12 VAL 6 2HG1 VAL 6 2.915 -1.021 2.616
43 HG13 VAL 6 3HG1 VAL 6 4.259 -2.132 2.882
44 HG21 VAL 6 1HG2 VAL 6 0.307 -3.694 2.879
45 HG22 VAL 6 2HG2 VAL 6 0.525 -1.961 2.636
46 HG23 VAL 6 3HG2 VAL 6 0.885 -2.684 4.205
47 H ARG 7 H ARG 7 3.479 -5.552 0.515
48 HA ARG 7 HA ARG 7 0.955 -6.496 -0.559
49 HB2 ARG 7 2HB ARG 7 3.008 -6.737 -1.931
50 HB3 ARG 7 1HB ARG 7 3.653 -7.836 -0.722
51 HG2 ARG 7 2HG ARG 7 1.838 -9.401 -1.138
52 HG3 ARG 7 1HG ARG 7 1.132 -8.290 -2.310
53 HD2 ARG 7 2HD ARG 7 2.371 -10.011 -3.461
54 HD3 ARG 7 1HD ARG 7 3.179 -8.459 -3.663
55 HE ARG 7 HE ARG 7 4.061 -10.275 -1.556
56 HH11 ARG 7 1HH1 ARG 7 4.763 -8.615 -4.622
57 HH12 ARG 7 2HH1 ARG 7 6.399 -9.064 -4.641
58 HH21 ARG 7 1HH2 ARG 7 6.330 -10.880 -1.601
59 HH22 ARG 7 2HH2 ARG 7 7.310 -10.375 -2.880
60 H ILE 8 H ILE 8 -0.297 -7.085 0.998
61 HA ILE 8 HA ILE 8 0.702 -8.780 3.130
62 HB ILE 8 HB ILE 8 -2.114 -7.710 2.693
63 HG12 ILE 8 2HG1 ILE 8 -0.551 -5.839 3.005
64 HG13 ILE 8 1HG1 ILE 8 -1.596 -6.011 4.408
65 HG21 ILE 8 1HG2 ILE 8 -2.459 -8.259 5.058
66 HG22 ILE 8 2HG2 ILE 8 -0.820 -8.897 5.148
67 HG23 ILE 8 3HG2 ILE 8 -2.015 -9.691 4.126
68 HD11 ILE 8 1HD1 ILE 8 0.681 -5.498 5.070
69 HD12 ILE 8 2HD1 ILE 8 1.277 -6.910 4.201
70 HD13 ILE 8 3HD1 ILE 8 0.241 -7.117 5.613
71 HA DPR 9 HA DPR 9 -1.400 -12.422 1.503
72 HB2 DPR 9 1HB DPR 9 1.409 -13.354 1.297
73 HB3 DPR 9 2HB DPR 9 0.042 -14.128 2.109
74 HG2 DPR 9 1HG DPR 9 1.998 -12.980 3.515
75 HG3 DPR 9 2HG DPR 9 0.305 -12.854 4.032
76 HD2 DPR 9 1HD DPR 9 2.009 -10.839 2.613
77 HD3 DPR 9 2HD DPR 9 0.866 -10.621 3.957
78 HA PRO 10 HA PRO 10 0.136 -11.941 -2.751
79 HB2 PRO 10 2HB PRO 10 -2.091 -12.764 -3.978
80 HB3 PRO 10 1HB PRO 10 -1.011 -13.914 -3.184
81 HG2 PRO 10 2HG PRO 10 -3.690 -13.000 -2.368
82 HG3 PRO 10 1HG PRO 10 -2.818 -14.468 -1.909
83 HD2 PRO 10 2HD PRO 10 -3.054 -11.979 -0.440
84 HD3 PRO 10 1HD PRO 10 -2.269 -13.489 0.061
85 H THR 11 H THR 11 -1.859 -10.103 -0.895
86 HA THR 11 HA THR 11 -3.090 -8.639 -3.091
87 HB THR 11 HB THR 11 -3.576 -8.470 -0.149
88 HG1 THR 11 1HG THR 11 -4.680 -10.074 -2.216
89 HG21 THR 11 1HG2 THR 11 -5.200 -7.489 -2.512
90 HG22 THR 11 2HG2 THR 11 -4.312 -6.480 -1.373
91 HG23 THR 11 3HG2 THR 11 -5.714 -7.401 -0.826
92 H VAL 12 H VAL 12 -2.175 -6.821 -3.655
93 HA VAL 12 HA VAL 12 -0.279 -5.577 -1.892
94 HB VAL 12 HB VAL 12 0.153 -3.933 -3.746
95 HG11 VAL 12 1HG1 VAL 12 0.340 -6.844 -4.501
96 HG12 VAL 12 2HG1 VAL 12 1.513 -5.926 -3.558
97 HG13 VAL 12 3HG1 VAL 12 1.249 -5.538 -5.259
98 HG21 VAL 12 1HG2 VAL 12 -1.746 -5.671 -5.334
99 HG22 VAL 12 2HG2 VAL 12 -0.752 -4.371 -5.987
100 HG23 VAL 12 3HG2 VAL 12 -2.048 -4.004 -4.848
101 H ARG 13 H ARG 13 -1.017 -4.506 -0.310
102 HA ARG 13 HA ARG 13 -3.533 -3.112 -0.492
103 HB2 ARG 13 2HB ARG 13 -3.001 -4.495 1.499
104 HB3 ARG 13 1HB ARG 13 -1.611 -3.479 1.823
105 HG2 ARG 13 2HG ARG 13 -3.042 -1.598 2.302
106 HG3 ARG 13 1HG ARG 13 -4.473 -2.523 1.852
107 HD2 ARG 13 2HD ARG 13 -3.966 -4.123 3.676
108 HD3 ARG 13 1HD ARG 13 -2.598 -3.117 4.145
109 HE ARG 13 HE ARG 13 -4.724 -1.430 4.137
110 HH11 ARG 13 1HH1 ARG 13 -3.982 -4.459 5.889
111 HH12 ARG 13 2HH1 ARG 13 -4.967 -4.074 7.209
112 HH21 ARG 13 1HH2 ARG 13 -6.086 -0.969 5.978
113 HH22 ARG 13 2HH2 ARG 13 -6.186 -2.064 7.277
114 H CYS 14 H CYS 14 -3.310 -1.319 -1.597
115 HA CYS 14 HA CYS 14 -0.951 0.329 -1.162
116 HB2 CYS 14 2HB CYS 14 -3.000 0.400 -3.375
117 HB3 CYS 14 1HB CYS 14 -1.610 1.469 -3.238
118 H THR 15 H THR 15 -1.177 1.722 0.358
119 HA THR 15 HA THR 15 -3.700 3.142 0.564
120 HB THR 15 HB THR 15 -2.787 2.089 2.672
121 HG1 THR 15 1HG THR 15 -2.600 4.827 3.212
122 HG21 THR 15 1HG2 THR 15 -0.383 2.370 2.249
123 HG22 THR 15 2HG2 THR 15 -0.836 3.109 3.785
124 HG23 THR 15 3HG2 THR 15 -0.563 4.121 2.367
125 H VAL 16 H VAL 16 -3.537 5.490 0.570
126 HA VAL 16 HA VAL 16 -1.111 6.298 -0.820
127 HB VAL 16 HB VAL 16 -3.008 6.235 -2.363
128 HG11 VAL 16 1HG1 VAL 16 -4.287 8.299 -0.598
129 HG12 VAL 16 2HG1 VAL 16 -4.855 6.654 -0.891
130 HG13 VAL 16 3HG1 VAL 16 -4.851 7.834 -2.201
131 HG21 VAL 16 1HG2 VAL 16 -2.820 8.505 -3.269
132 HG22 VAL 16 2HG2 VAL 16 -1.258 7.823 -2.813
133 HG23 VAL 16 3HG2 VAL 16 -2.035 9.021 -1.777
134 H ARG 17 H ARG 17 -0.017 7.953 -0.146
135 HA ARG 17 HA ARG 17 -1.193 9.630 1.926
136 HB2 ARG 17 2HB ARG 17 1.645 8.637 1.624
137 HB3 ARG 17 1HB ARG 17 1.195 9.941 2.710
138 HG2 ARG 17 2HG ARG 17 -0.229 8.448 3.967
139 HG3 ARG 17 1HG ARG 17 0.111 7.137 2.838
140 HD2 ARG 17 2HD ARG 17 1.432 6.951 4.893
141 HD3 ARG 17 1HD ARG 17 2.449 7.165 3.470
142 HE ARG 17 HE ARG 17 1.991 9.676 4.536
143 HH11 ARG 17 1HH1 ARG 17 3.558 6.670 5.560
144 HH12 ARG 17 2HH1 ARG 17 4.719 7.451 6.538
145 HH21 ARG 17 1HH2 ARG 17 3.606 10.742 5.890
146 HH22 ARG 17 2HH2 ARG 17 4.732 9.804 6.737
147 HA DPR 18 HA DPR 18 0.077 13.276 -0.309
148 HB2 DPR 18 1HB DPR 18 -2.708 13.088 -1.351
149 HB3 DPR 18 2HB DPR 18 -1.887 14.452 -0.590
150 HG2 DPR 18 1HG DPR 18 -3.716 13.034 0.736
151 HG3 DPR 18 2HG DPR 18 -2.270 13.656 1.548
152 HD2 DPR 18 1HD DPR 18 -2.891 10.876 0.654
153 HD3 DPR 18 2HD DPR 18 -2.014 11.448 2.087
Start of MODEL 19
1 HA PRO 1 HA PRO 1 1.389 12.447 -3.820
2 HB2 PRO 1 2HB PRO 1 3.896 13.254 -3.391
3 HB3 PRO 1 1HB PRO 1 2.572 14.417 -3.507
4 HG2 PRO 1 2HG PRO 1 4.008 13.419 -1.097
5 HG3 PRO 1 1HG PRO 1 3.341 15.027 -1.420
6 HD2 PRO 1 2HD PRO 1 2.127 13.009 0.109
7 HD3 PRO 1 1HD PRO 1 1.328 14.461 -0.518
8 H VAL 2 H VAL 2 1.743 10.675 -1.040
9 HA VAL 2 HA VAL 2 3.825 9.027 -2.253
10 HB VAL 2 HB VAL 2 3.210 9.166 0.701
11 HG11 VAL 2 1HG1 VAL 2 4.175 7.071 -0.019
12 HG12 VAL 2 2HG1 VAL 2 5.355 7.986 0.917
13 HG13 VAL 2 3HG1 VAL 2 5.478 7.922 -0.840
14 HG21 VAL 2 1HG2 VAL 2 4.116 11.314 -0.043
15 HG22 VAL 2 2HG2 VAL 2 5.471 10.488 -0.812
16 HG23 VAL 2 3HG2 VAL 2 5.290 10.447 0.943
17 H THR 3 H THR 3 3.108 7.192 -2.984
18 HA THR 3 HA THR 3 0.738 6.012 -1.762
19 HB THR 3 HB THR 3 1.914 5.569 -4.522
20 HG1 THR 3 1HG THR 3 0.687 7.589 -3.693
21 HG21 THR 3 1HG2 THR 3 0.692 3.597 -3.681
22 HG22 THR 3 2HG2 THR 3 -0.226 4.380 -4.967
23 HG23 THR 3 3HG2 THR 3 -0.688 4.614 -3.280
24 H TRP 4 H TRP 4 0.961 4.113 -0.788
25 HA TRP 4 HA TRP 4 3.548 2.722 -1.025
26 HB2 TRP 4 2HB TRP 4 1.643 2.779 1.327
27 HB3 TRP 4 1HB TRP 4 3.133 1.856 1.246
28 HD1 TRP 4 HD TRP 4 1.798 5.356 1.841
29 HE1 TRP 4 1HE TRP 4 3.731 6.836 2.733
30 HE3 TRP 4 3HE TRP 4 5.698 2.154 1.099
31 HZ2 TRP 4 2HZ TRP 4 6.513 6.661 3.060
32 HZ3 TRP 4 3HZ TRP 4 7.956 2.881 1.713
33 HH2 TRP 4 HH TRP 4 8.354 5.098 2.675
34 H CYS 5 H CYS 5 3.165 1.073 -2.409
35 HA CYS 5 HA CYS 5 0.732 -0.468 -2.012
36 HB2 CYS 5 2HB CYS 5 2.841 -0.653 -4.174
37 HB3 CYS 5 1HB CYS 5 1.408 -1.667 -4.073
38 H VAL 6 H VAL 6 0.961 -1.684 -0.334
39 HA VAL 6 HA VAL 6 3.484 -3.086 0.016
40 HB VAL 6 HB VAL 6 2.677 -3.643 2.315
41 HG11 VAL 6 1HG1 VAL 6 2.697 -0.701 1.642
42 HG12 VAL 6 2HG1 VAL 6 4.113 -1.711 1.927
43 HG13 VAL 6 3HG1 VAL 6 2.980 -1.397 3.239
44 HG21 VAL 6 1HG2 VAL 6 0.392 -1.778 1.633
45 HG22 VAL 6 2HG2 VAL 6 0.722 -2.461 3.227
46 HG23 VAL 6 3HG2 VAL 6 0.260 -3.515 1.893
47 H ARG 7 H ARG 7 3.609 -5.204 0.138
48 HA ARG 7 HA ARG 7 1.355 -6.698 -0.997
49 HB2 ARG 7 2HB ARG 7 4.311 -7.282 -0.926
50 HB3 ARG 7 1HB ARG 7 3.101 -8.298 -1.698
51 HG2 ARG 7 2HG ARG 7 2.709 -6.721 -3.391
52 HG3 ARG 7 1HG ARG 7 3.491 -5.429 -2.478
53 HD2 ARG 7 2HD ARG 7 4.874 -7.854 -3.614
54 HD3 ARG 7 1HD ARG 7 4.875 -6.245 -4.339
55 HE ARG 7 HE ARG 7 5.849 -6.551 -1.608
56 HH11 ARG 7 1HH1 ARG 7 6.621 -5.966 -5.013
57 HH12 ARG 7 2HH1 ARG 7 8.129 -5.274 -4.690
58 HH21 ARG 7 1HH2 ARG 7 7.928 -5.663 -1.167
59 HH22 ARG 7 2HH2 ARG 7 8.915 -5.126 -2.448
60 H ILE 8 H ILE 8 0.217 -7.485 0.714
61 HA ILE 8 HA ILE 8 1.708 -8.737 2.900
62 HB ILE 8 HB ILE 8 -1.197 -7.849 2.833
63 HG12 ILE 8 2HG1 ILE 8 1.148 -6.516 4.211
64 HG13 ILE 8 1HG1 ILE 8 0.440 -5.958 2.701
65 HG21 ILE 8 1HG2 ILE 8 -1.106 -8.183 5.275
66 HG22 ILE 8 2HG2 ILE 8 0.551 -8.767 5.129
67 HG23 ILE 8 3HG2 ILE 8 -0.773 -9.680 4.404
68 HD11 ILE 8 1HD1 ILE 8 -0.964 -6.120 5.355
69 HD12 ILE 8 2HD1 ILE 8 -1.671 -5.544 3.846
70 HD13 ILE 8 3HD1 ILE 8 -0.345 -4.657 4.595
71 HA DPR 9 HA DPR 9 -0.115 -12.772 2.251
72 HB2 DPR 9 1HB DPR 9 2.275 -13.200 0.524
73 HB3 DPR 9 2HB DPR 9 1.677 -14.179 1.868
74 HG2 DPR 9 1HG DPR 9 3.815 -12.625 2.150
75 HG3 DPR 9 2HG DPR 9 2.640 -12.812 3.460
76 HD2 DPR 9 1HD DPR 9 3.046 -10.521 1.590
77 HD3 DPR 9 2HD DPR 9 2.576 -10.527 3.302
78 HA PRO 10 HA PRO 10 -1.354 -12.962 -2.090
79 HB2 PRO 10 2HB PRO 10 -3.854 -13.705 -1.719
80 HB3 PRO 10 1HB PRO 10 -2.528 -14.777 -1.240
81 HG2 PRO 10 2HG PRO 10 -4.277 -13.067 0.472
82 HG3 PRO 10 1HG PRO 10 -3.624 -14.683 0.789
83 HD2 PRO 10 2HD PRO 10 -2.549 -12.232 1.688
84 HD3 PRO 10 1HD PRO 10 -1.765 -13.822 1.742
85 H THR 11 H THR 11 -1.899 -10.509 -0.008
86 HA THR 11 HA THR 11 -3.799 -9.175 -1.792
87 HB THR 11 HB THR 11 -4.511 -7.940 0.374
88 HG1 THR 11 1HG THR 11 -2.722 -9.355 1.476
89 HG21 THR 11 1HG2 THR 11 -5.299 -10.821 -0.108
90 HG22 THR 11 2HG2 THR 11 -6.016 -9.404 -0.882
91 HG23 THR 11 3HG2 THR 11 -6.219 -9.662 0.849
92 H VAL 12 H VAL 12 -2.805 -7.539 -2.774
93 HA VAL 12 HA VAL 12 -0.751 -6.093 -1.295
94 HB VAL 12 HB VAL 12 -0.170 -4.971 -3.364
95 HG11 VAL 12 1HG1 VAL 12 0.772 -7.185 -3.037
96 HG12 VAL 12 2HG1 VAL 12 0.538 -6.843 -4.750
97 HG13 VAL 12 3HG1 VAL 12 -0.587 -7.900 -3.899
98 HG21 VAL 12 1HG2 VAL 12 -2.412 -4.671 -4.287
99 HG22 VAL 12 2HG2 VAL 12 -2.505 -6.397 -4.640
100 HG23 VAL 12 3HG2 VAL 12 -1.331 -5.385 -5.481
101 H ARG 13 H ARG 13 -0.915 -3.842 -0.988
102 HA ARG 13 HA ARG 13 -3.597 -2.704 -1.356
103 HB2 ARG 13 2HB ARG 13 -3.486 -3.602 0.925
104 HB3 ARG 13 1HB ARG 13 -2.019 -2.688 1.219
105 HG2 ARG 13 2HG ARG 13 -3.259 -0.599 0.985
106 HG3 ARG 13 1HG ARG 13 -4.737 -1.507 0.668
107 HD2 ARG 13 2HD ARG 13 -4.645 -0.781 2.990
108 HD3 ARG 13 1HD ARG 13 -4.583 -2.533 2.888
109 HE ARG 13 HE ARG 13 -2.125 -0.956 3.162
110 HH11 ARG 13 1HH1 ARG 13 -4.233 -3.542 4.385
111 HH12 ARG 13 2HH1 ARG 13 -3.243 -3.920 5.708
112 HH21 ARG 13 1HH2 ARG 13 -0.726 -1.512 4.945
113 HH22 ARG 13 2HH2 ARG 13 -1.156 -2.747 6.025
114 H CYS 14 H CYS 14 -3.361 -0.880 -2.448
115 HA CYS 14 HA CYS 14 -0.888 0.653 -2.120
116 HB2 CYS 14 2HB CYS 14 -3.028 0.790 -4.248
117 HB3 CYS 14 1HB CYS 14 -1.667 1.897 -4.144
118 H THR 15 H THR 15 -1.125 1.889 -0.371
119 HA THR 15 HA THR 15 -3.585 3.403 -0.175
120 HB THR 15 HB THR 15 -2.867 2.405 1.944
121 HG1 THR 15 1HG THR 15 -3.712 4.151 2.751
122 HG21 THR 15 1HG2 THR 15 -0.369 4.066 1.638
123 HG22 THR 15 2HG2 THR 15 -0.456 2.304 1.564
124 HG23 THR 15 3HG2 THR 15 -0.800 3.146 3.080
125 H VAL 16 H VAL 16 -3.758 5.268 -0.975
126 HA VAL 16 HA VAL 16 -1.371 6.730 -1.794
127 HB VAL 16 HB VAL 16 -4.276 7.312 -2.474
128 HG11 VAL 16 1HG1 VAL 16 -1.721 8.429 -3.633
129 HG12 VAL 16 2HG1 VAL 16 -2.864 9.291 -2.603
130 HG13 VAL 16 3HG1 VAL 16 -3.348 8.777 -4.219
131 HG21 VAL 16 1HG2 VAL 16 -2.166 5.982 -4.170
132 HG22 VAL 16 2HG2 VAL 16 -3.801 6.393 -4.688
133 HG23 VAL 16 3HG2 VAL 16 -3.548 5.176 -3.433
134 H ARG 17 H ARG 17 -0.641 7.904 -0.173
135 HA ARG 17 HA ARG 17 -2.582 9.534 1.236
136 HB2 ARG 17 2HB ARG 17 -0.025 8.307 2.301
137 HB3 ARG 17 1HB ARG 17 -0.948 9.532 3.163
138 HG2 ARG 17 2HG ARG 17 -2.891 8.028 3.217
139 HG3 ARG 17 1HG ARG 17 -1.950 6.798 2.377
140 HD2 ARG 17 2HD ARG 17 -1.232 7.978 5.057
141 HD3 ARG 17 1HD ARG 17 -2.095 6.461 4.836
142 HE ARG 17 HE ARG 17 -0.099 5.684 3.627
143 HH11 ARG 17 1HH1 ARG 17 0.268 8.343 5.960
144 HH12 ARG 17 2HH1 ARG 17 1.837 7.921 6.421
145 HH21 ARG 17 1HH2 ARG 17 2.139 5.136 4.278
146 HH22 ARG 17 2HH2 ARG 17 2.918 6.098 5.433
147 HA DPR 18 HA DPR 18 -0.213 13.213 0.320
148 HB2 DPR 18 1HB DPR 18 -2.286 13.438 -1.802
149 HB3 DPR 18 2HB DPR 18 -1.810 14.619 -0.577
150 HG2 DPR 18 1HG DPR 18 -4.106 13.296 -0.364
151 HG3 DPR 18 2HG DPR 18 -3.105 13.626 1.061
152 HD2 DPR 18 1HD DPR 18 -3.429 11.087 -0.480
153 HD3 DPR 18 2HD DPR 18 -3.303 11.360 1.273
Start of MODEL 20
1 HA PRO 1 HA PRO 1 0.213 12.312 -4.099
2 HB2 PRO 1 2HB PRO 1 2.766 13.063 -4.273
3 HB3 PRO 1 1HB PRO 1 1.472 14.254 -4.100
4 HG2 PRO 1 2HG PRO 1 3.384 13.224 -2.048
5 HG3 PRO 1 1HG PRO 1 2.752 14.864 -2.271
6 HD2 PRO 1 2HD PRO 1 1.800 13.014 -0.421
7 HD3 PRO 1 1HD PRO 1 0.913 14.440 -0.999
8 H VAL 2 H VAL 2 1.564 10.777 -1.389
9 HA VAL 2 HA VAL 2 3.427 9.141 -2.923
10 HB VAL 2 HB VAL 2 2.905 9.031 0.052
11 HG11 VAL 2 1HG1 VAL 2 5.140 8.055 0.169
12 HG12 VAL 2 2HG1 VAL 2 5.268 8.149 -1.588
13 HG13 VAL 2 3HG1 VAL 2 4.059 7.100 -0.846
14 HG21 VAL 2 1HG2 VAL 2 3.567 11.309 -0.514
15 HG22 VAL 2 2HG2 VAL 2 4.969 10.694 -1.390
16 HG23 VAL 2 3HG2 VAL 2 4.861 10.486 0.356
17 H THR 3 H THR 3 3.144 6.935 -3.203
18 HA THR 3 HA THR 3 0.739 5.752 -2.042
19 HB THR 3 HB THR 3 1.847 5.138 -4.795
20 HG1 THR 3 1HG THR 3 0.266 7.150 -3.864
21 HG21 THR 3 1HG2 THR 3 -0.791 4.453 -3.466
22 HG22 THR 3 2HG2 THR 3 0.535 3.326 -3.745
23 HG23 THR 3 3HG2 THR 3 -0.332 4.025 -5.113
24 H TRP 4 H TRP 4 1.169 3.983 -0.905
25 HA TRP 4 HA TRP 4 3.803 2.726 -1.178
26 HB2 TRP 4 2HB TRP 4 1.950 2.890 1.208
27 HB3 TRP 4 1HB TRP 4 3.442 1.962 1.165
28 HD1 TRP 4 HD TRP 4 2.150 5.556 1.356
29 HE1 TRP 4 1HE TRP 4 4.089 7.078 2.100
30 HE3 TRP 4 3HE TRP 4 5.925 2.168 1.157
31 HZ2 TRP 4 2HZ TRP 4 6.865 6.848 2.563
32 HZ3 TRP 4 3HZ TRP 4 8.213 2.880 1.773
33 HH2 TRP 4 HH TRP 4 8.661 5.180 2.460
34 H CYS 5 H CYS 5 3.678 0.788 -2.117
35 HA CYS 5 HA CYS 5 1.178 -0.684 -1.863
36 HB2 CYS 5 2HB CYS 5 3.424 -0.982 -3.861
37 HB3 CYS 5 1HB CYS 5 2.040 -2.068 -3.755
38 H VAL 6 H VAL 6 1.206 -1.718 -0.106
39 HA VAL 6 HA VAL 6 3.578 -3.223 0.694
40 HB VAL 6 HB VAL 6 1.046 -2.639 2.266
41 HG11 VAL 6 1HG1 VAL 6 2.333 -3.326 4.223
42 HG12 VAL 6 2HG1 VAL 6 3.718 -3.680 3.194
43 HG13 VAL 6 3HG1 VAL 6 2.240 -4.628 3.034
44 HG21 VAL 6 1HG2 VAL 6 3.723 -1.250 2.404
45 HG22 VAL 6 2HG2 VAL 6 2.366 -0.967 3.494
46 HG23 VAL 6 3HG2 VAL 6 2.222 -0.560 1.784
47 H ARG 7 H ARG 7 3.536 -5.265 -0.010
48 HA ARG 7 HA ARG 7 0.980 -6.468 -0.606
49 HB2 ARG 7 2HB ARG 7 2.188 -8.290 -1.676
50 HB3 ARG 7 1HB ARG 7 2.830 -6.765 -2.246
51 HG2 ARG 7 2HG ARG 7 4.744 -7.044 -0.697
52 HG3 ARG 7 1HG ARG 7 4.085 -8.607 -0.225
53 HD2 ARG 7 2HD ARG 7 4.218 -9.308 -2.608
54 HD3 ARG 7 1HD ARG 7 5.037 -7.789 -2.966
55 HE ARG 7 HE ARG 7 6.041 -9.989 -1.327
56 HH11 ARG 7 1HH1 ARG 7 6.689 -6.894 -2.907
57 HH12 ARG 7 2HH1 ARG 7 8.375 -7.084 -2.951
58 HH21 ARG 7 1HH2 ARG 7 8.399 -10.254 -1.362
59 HH22 ARG 7 2HH2 ARG 7 9.363 -9.016 -2.003
60 H ILE 8 H ILE 8 -0.098 -7.304 0.894
61 HA ILE 8 HA ILE 8 1.250 -8.670 3.094
62 HB ILE 8 HB ILE 8 -1.546 -7.473 2.939
63 HG12 ILE 8 2HG1 ILE 8 0.861 -6.611 4.568
64 HG13 ILE 8 1HG1 ILE 8 0.299 -5.819 3.102
65 HG21 ILE 8 1HG2 ILE 8 -0.157 -8.821 5.263
66 HG22 ILE 8 2HG2 ILE 8 -1.511 -9.477 4.344
67 HG23 ILE 8 3HG2 ILE 8 -1.732 -8.027 5.323
68 HD11 ILE 8 1HD1 ILE 8 -0.369 -4.623 5.114
69 HD12 ILE 8 2HD1 ILE 8 -1.246 -6.050 5.676
70 HD13 ILE 8 3HD1 ILE 8 -1.760 -5.212 4.212
71 HA DPR 9 HA DPR 9 -0.799 -12.521 2.045
72 HB2 DPR 9 1HB DPR 9 1.782 -13.063 0.660
73 HB3 DPR 9 2HB DPR 9 0.950 -14.028 1.886
74 HG2 DPR 9 1HG DPR 9 3.139 -12.646 2.497
75 HG3 DPR 9 2HG DPR 9 1.785 -12.764 3.633
76 HD2 DPR 9 1HD DPR 9 2.570 -10.499 1.846
77 HD3 DPR 9 2HD DPR 9 1.965 -10.484 3.517
78 HA PRO 10 HA PRO 10 -1.375 -12.273 -2.445
79 HB2 PRO 10 2HB PRO 10 -3.993 -12.663 -2.486
80 HB3 PRO 10 1HB PRO 10 -2.903 -13.970 -2.008
81 HG2 PRO 10 2HG PRO 10 -4.570 -12.183 -0.286
82 HG3 PRO 10 1HG PRO 10 -4.287 -13.925 -0.138
83 HD2 PRO 10 2HD PRO 10 -2.945 -11.956 1.298
84 HD3 PRO 10 1HD PRO 10 -2.359 -13.613 1.043
85 H THR 11 H THR 11 -2.256 -10.024 -0.077
86 HA THR 11 HA THR 11 -3.863 -8.426 -1.911
87 HB THR 11 HB THR 11 -3.332 -8.034 0.978
88 HG1 THR 11 1HG THR 11 -5.251 -9.495 -0.483
89 HG21 THR 11 1HG2 THR 11 -5.405 -6.658 0.906
90 HG22 THR 11 2HG2 THR 11 -5.491 -6.931 -0.833
91 HG23 THR 11 3HG2 THR 11 -4.141 -6.025 -0.150
92 H VAL 12 H VAL 12 -2.656 -7.195 -3.052
93 HA VAL 12 HA VAL 12 -0.326 -5.821 -1.989
94 HB VAL 12 HB VAL 12 -1.665 -5.415 -4.696
95 HG11 VAL 12 1HG1 VAL 12 0.467 -4.392 -5.353
96 HG12 VAL 12 2HG1 VAL 12 1.072 -4.609 -3.710
97 HG13 VAL 12 3HG1 VAL 12 -0.287 -3.527 -4.013
98 HG21 VAL 12 1HG2 VAL 12 0.729 -7.120 -4.001
99 HG22 VAL 12 2HG2 VAL 12 0.127 -6.811 -5.628
100 HG23 VAL 12 3HG2 VAL 12 -0.861 -7.712 -4.479
101 H ARG 13 H ARG 13 -0.925 -4.410 -0.519
102 HA ARG 13 HA ARG 13 -3.348 -2.848 -0.810
103 HB2 ARG 13 2HB ARG 13 -2.692 -3.971 1.329
104 HB3 ARG 13 1HB ARG 13 -1.287 -2.933 1.399
105 HG2 ARG 13 2HG ARG 13 -2.837 -2.001 2.888
106 HG3 ARG 13 1HG ARG 13 -2.900 -0.979 1.457
107 HD2 ARG 13 2HD ARG 13 -4.830 -3.239 1.958
108 HD3 ARG 13 1HD ARG 13 -5.134 -1.591 2.487
109 HE ARG 13 HE ARG 13 -4.824 -1.078 -0.004
110 HH11 ARG 13 1HH1 ARG 13 -6.347 -4.051 1.220
111 HH12 ARG 13 2HH1 ARG 13 -7.399 -4.196 -0.106
112 HH21 ARG 13 1HH2 ARG 13 -6.267 -1.303 -1.787
113 HH22 ARG 13 2HH2 ARG 13 -7.362 -2.615 -1.847
114 H CYS 14 H CYS 14 -2.831 -1.361 -2.439
115 HA CYS 14 HA CYS 14 -0.491 0.301 -2.012
116 HB2 CYS 14 2HB CYS 14 -2.499 0.260 -4.276
117 HB3 CYS 14 1HB CYS 14 -1.156 1.390 -4.166
118 H THR 15 H THR 15 -0.869 1.463 -0.322
119 HA THR 15 HA THR 15 -3.376 2.889 -0.124
120 HB THR 15 HB THR 15 -2.615 1.743 1.914
121 HG1 THR 15 1HG THR 15 -3.755 3.717 2.102
122 HG21 THR 15 1HG2 THR 15 -0.623 2.506 3.150
123 HG22 THR 15 2HG2 THR 15 -0.217 3.588 1.820
124 HG23 THR 15 3HG2 THR 15 -0.186 1.840 1.576
125 H VAL 16 H VAL 16 -3.523 5.076 -0.226
126 HA VAL 16 HA VAL 16 -1.132 6.412 -1.219
127 HB VAL 16 HB VAL 16 -2.988 6.299 -2.847
128 HG11 VAL 16 1HG1 VAL 16 -4.551 7.906 -0.854
129 HG12 VAL 16 2HG1 VAL 16 -4.893 6.266 -1.406
130 HG13 VAL 16 3HG1 VAL 16 -5.026 7.623 -2.527
131 HG21 VAL 16 1HG2 VAL 16 -3.074 8.680 -3.459
132 HG22 VAL 16 2HG2 VAL 16 -1.448 8.166 -3.007
133 HG23 VAL 16 3HG2 VAL 16 -2.427 9.099 -1.873
134 H ARG 17 H ARG 17 -0.352 8.095 -0.209
135 HA ARG 17 HA ARG 17 -1.887 9.320 1.944
136 HB2 ARG 17 2HB ARG 17 1.079 8.705 1.992
137 HB3 ARG 17 1HB ARG 17 0.181 9.524 3.255
138 HG2 ARG 17 2HG ARG 17 -1.167 7.431 3.514
139 HG3 ARG 17 1HG ARG 17 -0.007 6.643 2.438
140 HD2 ARG 17 2HD ARG 17 0.619 6.242 4.740
141 HD3 ARG 17 1HD ARG 17 1.805 7.305 3.975
142 HE ARG 17 HE ARG 17 -0.242 8.796 5.221
143 HH11 ARG 17 1HH1 ARG 17 2.718 7.030 5.969
144 HH12 ARG 17 2HH1 ARG 17 3.026 7.853 7.413
145 HH21 ARG 17 1HH2 ARG 17 0.169 9.972 7.131
146 HH22 ARG 17 2HH2 ARG 17 1.525 9.602 8.107
147 HA DPR 18 HA DPR 18 -0.402 13.219 0.280
148 HB2 DPR 18 1HB DPR 18 -2.994 13.122 -1.178
149 HB3 DPR 18 2HB DPR 18 -2.342 14.397 -0.147
150 HG2 DPR 18 1HG DPR 18 -4.323 12.833 0.715
151 HG3 DPR 18 2HG DPR 18 -3.020 13.335 1.805
152 HD2 DPR 18 1HD DPR 18 -3.432 10.709 0.429
153 HD3 DPR 18 2HD DPR 18 -2.872 11.061 2.079