Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
558200 | 2m1p RC | 18875 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.136 -1.064 3.115
2 HA2 GLY 1 2HA GLY 1 -11.942 -3.215 2.745
3 HA3 GLY 1 1HA GLY 1 -13.070 -2.574 1.564
4 H VAL 2 H VAL 2 -10.282 -1.146 0.681
5 HA VAL 2 HA VAL 2 -9.672 -3.386 -1.111
6 HB VAL 2 HB VAL 2 -9.355 -0.415 -1.663
7 HG11 VAL 2 1HG1 VAL 2 -7.681 -1.740 -2.836
8 HG12 VAL 2 2HG1 VAL 2 -8.866 -1.097 -3.973
9 HG13 VAL 2 3HG1 VAL 2 -8.941 -2.789 -3.486
10 HG21 VAL 2 3HG2 VAL 2 -11.186 -0.706 -3.283
11 HG22 VAL 2 1HG2 VAL 2 -11.711 -1.055 -1.636
12 HG23 VAL 2 2HG2 VAL 2 -11.379 -2.375 -2.758
13 H CYS 3 H CYS 3 -7.807 -4.306 -0.535
14 HA CYS 3 HA CYS 3 -5.791 -2.653 0.700
15 HB2 CYS 3 2HB CYS 3 -5.886 -5.613 0.276
16 HB3 CYS 3 1HB CYS 3 -4.570 -4.773 1.078
17 H ARG 4 H ARG 4 -4.223 -1.897 -0.187
18 HA ARG 4 HA ARG 4 -3.581 -2.686 -2.958
19 HB2 ARG 4 2HB ARG 4 -4.703 -0.475 -2.832
20 HB3 ARG 4 1HB ARG 4 -3.432 0.073 -1.746
21 HG2 ARG 4 2HG ARG 4 -3.015 0.938 -3.931
22 HG3 ARG 4 1HG ARG 4 -1.788 -0.259 -3.512
23 HD2 ARG 4 2HD ARG 4 -3.013 -1.942 -4.842
24 HD3 ARG 4 1HD ARG 4 -4.198 -0.711 -5.266
25 HE ARG 4 HE ARG 4 -1.475 -0.069 -5.935
26 HH11 ARG 4 1HH1 ARG 4 -4.523 -1.473 -7.078
27 HH12 ARG 4 2HH1 ARG 4 -4.113 -1.371 -8.727
28 HH21 ARG 4 1HH2 ARG 4 -0.934 0.081 -8.244
29 HH22 ARG 4 2HH2 ARG 4 -2.059 -0.495 -9.389
30 H ABA 5 H ABA 5 -1.592 -3.446 -3.162
31 HA ABA 5 HA ABA 5 0.391 -2.947 -1.103
32 HB3 ABA 5 1HB ABA 5 0.581 -4.643 -3.604
33 HB2 ABA 5 2HB ABA 5 0.101 -5.232 -2.017
34 HG1 ABA 5 3HG ABA 5 2.416 -5.781 -2.477
35 HG3 ABA 5 1HG ABA 5 2.300 -4.650 -1.130
36 HG2 ABA 5 2HG ABA 5 2.788 -4.077 -2.726
37 H VAL 6 H VAL 6 1.667 -1.337 -1.168
38 HA VAL 6 HA VAL 6 2.508 -0.281 -3.758
39 HB VAL 6 HB VAL 6 1.096 1.387 -2.634
40 HG11 VAL 6 1HG1 VAL 6 2.982 1.211 -0.292
41 HG12 VAL 6 2HG1 VAL 6 1.306 0.661 -0.327
42 HG13 VAL 6 3HG1 VAL 6 1.673 2.381 -0.474
43 HG21 VAL 6 3HG2 VAL 6 4.010 2.150 -2.483
44 HG22 VAL 6 1HG2 VAL 6 2.659 3.284 -2.522
45 HG23 VAL 6 2HG2 VAL 6 2.982 2.243 -3.909
46 H CYS 7 H CYS 7 4.636 -0.380 -4.123
47 HA CYS 7 HA CYS 7 6.254 -1.149 -1.845
48 HB2 CYS 7 2HB CYS 7 6.815 -1.596 -4.781
49 HB3 CYS 7 1HB CYS 7 7.793 -2.179 -3.442
50 H ARG 8 H ARG 8 7.882 0.028 -1.208
51 HA ARG 8 HA ARG 8 8.864 2.176 -2.941
52 HB2 ARG 8 2HB ARG 8 7.852 2.576 -0.116
53 HB3 ARG 8 1HB ARG 8 8.823 3.759 -0.982
54 HG2 ARG 8 2HG ARG 8 7.097 4.022 -2.648
55 HG3 ARG 8 1HG ARG 8 6.151 2.736 -1.903
56 HD2 ARG 8 2HD ARG 8 5.850 4.072 0.087
57 HD3 ARG 8 1HD ARG 8 6.875 5.348 -0.575
58 HE ARG 8 HE ARG 8 5.014 5.058 -2.461
59 HH11 ARG 8 1HH1 ARG 8 4.669 5.486 1.051
60 HH12 ARG 8 2HH1 ARG 8 3.242 6.379 0.956
61 HH21 ARG 8 1HH2 ARG 8 3.021 6.255 -2.606
62 HH22 ARG 8 2HH2 ARG 8 2.281 6.832 -1.187
63 H ARG 9 H ARG 9 10.952 2.074 -3.043
64 HA ARG 9 HA ARG 9 13.126 1.620 -2.658
65 HB2 ARG 9 2HB ARG 9 12.651 3.115 -0.630
66 HB3 ARG 9 1HB ARG 9 12.455 1.646 0.305
67 HG2 ARG 9 2HG ARG 9 14.818 1.061 -0.306
68 HG3 ARG 9 1HG ARG 9 14.961 2.674 -1.012
69 HD2 ARG 9 2HD ARG 9 15.833 2.733 1.231
70 HD3 ARG 9 1HD ARG 9 14.314 3.631 1.183
71 HE ARG 9 HE ARG 9 14.065 0.863 1.913
72 HH11 ARG 9 1HH1 ARG 9 14.531 4.136 3.155
73 HH12 ARG 9 2HH1 ARG 9 13.992 3.777 4.730
74 HH21 ARG 9 1HH2 ARG 9 13.293 0.361 4.097
75 HH22 ARG 9 2HH2 ARG 9 13.262 1.601 5.253
76 H GLY 10 H GLY 10 11.224 -0.454 -3.000
77 HA2 GLY 10 2HA GLY 10 11.427 -2.757 -3.228
78 HA3 GLY 10 1HA GLY 10 12.862 -2.683 -2.216
79 H VAL 11 H VAL 11 10.502 -1.025 -0.609
80 HA VAL 11 HA VAL 11 9.959 -3.340 1.068
81 HB VAL 11 HB VAL 11 9.509 -0.391 1.642
82 HG11 VAL 11 1HG1 VAL 11 9.245 -1.082 3.978
83 HG12 VAL 11 2HG1 VAL 11 9.430 -2.769 3.500
84 HG13 VAL 11 3HG1 VAL 11 8.040 -1.839 2.935
85 HG21 VAL 11 3HG2 VAL 11 11.753 -2.191 2.549
86 HG22 VAL 11 1HG2 VAL 11 11.472 -0.542 3.119
87 HG23 VAL 11 2HG2 VAL 11 11.880 -0.839 1.426
88 H CYS 12 H CYS 12 8.083 -4.281 0.565
89 HA CYS 12 HA CYS 12 6.077 -2.627 -0.667
90 HB2 CYS 12 2HB CYS 12 6.177 -5.602 -0.382
91 HB3 CYS 12 1HB CYS 12 4.891 -4.726 -1.189
92 H ARG 13 H ARG 13 4.455 -1.941 0.236
93 HA ARG 13 HA ARG 13 3.661 -3.065 2.834
94 HB2 ARG 13 2HB ARG 13 4.731 -0.885 3.159
95 HB3 ARG 13 1HB ARG 13 3.622 -0.166 1.997
96 HG2 ARG 13 2HG ARG 13 2.904 0.387 4.213
97 HG3 ARG 13 1HG ARG 13 1.751 -0.695 3.449
98 HD2 ARG 13 2HD ARG 13 2.738 -2.593 4.649
99 HD3 ARG 13 1HD ARG 13 3.859 -1.494 5.457
100 HE ARG 13 HE ARG 13 1.504 -0.447 6.091
101 HH11 ARG 13 1HH1 ARG 13 2.723 -3.771 6.306
102 HH12 ARG 13 2HH1 ARG 13 1.673 -4.240 7.555
103 HH21 ARG 13 1HH2 ARG 13 0.073 -1.095 7.842
104 HH22 ARG 13 2HH2 ARG 13 0.144 -2.672 8.468
105 H ABA 14 H ABA 14 1.654 -3.782 2.866
106 HA ABA 14 HA ABA 14 -0.177 -2.951 0.763
107 HB3 ABA 14 1HB ABA 14 -0.468 -5.135 2.832
108 HB2 ABA 14 2HB ABA 14 0.157 -5.389 1.206
109 HG1 ABA 14 3HG ABA 14 -2.163 -6.062 1.354
110 HG3 ABA 14 1HG ABA 14 -1.988 -4.678 0.273
111 HG2 ABA 14 2HG ABA 14 -2.611 -4.446 1.909
112 H VAL 15 H VAL 15 -1.141 -1.155 1.193
113 HA VAL 15 HA VAL 15 -2.080 -0.655 3.910
114 HB VAL 15 HB VAL 15 -2.558 1.674 3.131
115 HG11 VAL 15 1HG1 VAL 15 -0.420 1.190 4.184
116 HG12 VAL 15 2HG1 VAL 15 -0.240 2.428 2.943
117 HG13 VAL 15 3HG1 VAL 15 0.270 0.771 2.617
118 HG21 VAL 15 3HG2 VAL 15 -1.671 2.454 0.963
119 HG22 VAL 15 1HG2 VAL 15 -2.934 1.239 0.750
120 HG23 VAL 15 2HG2 VAL 15 -1.241 0.793 0.553
121 H CYS 16 H CYS 16 -4.285 -0.429 4.321
122 HA CYS 16 HA CYS 16 -5.876 -1.311 2.062
123 HB2 CYS 16 2HB CYS 16 -6.389 -1.909 4.990
124 HB3 CYS 16 1HB CYS 16 -7.404 -2.412 3.642
125 H ARG 17 H ARG 17 -7.655 -0.213 1.482
126 HA ARG 17 HA ARG 17 -8.363 2.043 3.150
127 HB2 ARG 17 2HB ARG 17 -8.251 3.537 1.156
128 HB3 ARG 17 1HB ARG 17 -6.683 2.918 1.641
129 HG2 ARG 17 2HG ARG 17 -7.036 1.135 -0.178
130 HG3 ARG 17 1HG ARG 17 -8.339 2.172 -0.753
131 HD2 ARG 17 2HD ARG 17 -5.424 2.915 -0.479
132 HD3 ARG 17 1HD ARG 17 -6.291 2.622 -1.980
133 HE ARG 17 HE ARG 17 -7.505 4.702 -0.479
134 HH11 ARG 17 1HH1 ARG 17 -4.747 4.066 -2.660
135 HH12 ARG 17 2HH1 ARG 17 -4.501 5.700 -3.034
136 HH21 ARG 17 1HH2 ARG 17 -7.205 6.907 -1.059
137 HH22 ARG 17 2HH2 ARG 17 -5.968 7.364 -2.157
138 H ARG 18 H ARG 18 -10.344 1.675 3.582
139 HA ARG 18 HA ARG 18 -12.514 1.175 3.515
140 HB2 ARG 18 2HB ARG 18 -12.412 3.309 2.227
141 HB3 ARG 18 1HB ARG 18 -12.371 2.375 0.742
142 HG2 ARG 18 2HG ARG 18 -14.603 1.509 1.203
143 HG3 ARG 18 1HG ARG 18 -14.628 2.375 2.740
144 HD2 ARG 18 2HD ARG 18 -15.865 3.594 1.029
145 HD3 ARG 18 1HD ARG 18 -14.448 4.496 1.561
146 HE ARG 18 HE ARG 18 -14.465 2.900 -0.897
147 HH11 ARG 18 1HH1 ARG 18 -13.722 5.937 0.772
148 HH12 ARG 18 2HH1 ARG 18 -13.194 6.748 -0.635
149 HH21 ARG 18 1HH2 ARG 18 -13.725 4.009 -2.809
150 HH22 ARG 18 2HH2 ARG 18 -13.188 5.625 -2.738
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -10.751 -0.407 3.150
2 HA2 GLY 1 2HA GLY 1 -11.142 -2.698 3.362
3 HA3 GLY 1 1HA GLY 1 -12.588 -2.494 2.386
4 H VAL 2 H VAL 2 -10.052 -1.068 0.786
5 HA VAL 2 HA VAL 2 -9.736 -3.431 -0.923
6 HB VAL 2 HB VAL 2 -9.280 -0.490 -1.539
7 HG11 VAL 2 1HG1 VAL 2 -9.203 -2.884 -3.376
8 HG12 VAL 2 2HG1 VAL 2 -7.818 -1.930 -2.859
9 HG13 VAL 2 3HG1 VAL 2 -9.061 -1.202 -3.880
10 HG21 VAL 2 3HG2 VAL 2 -11.268 -0.675 -2.969
11 HG22 VAL 2 1HG2 VAL 2 -11.638 -0.966 -1.265
12 HG23 VAL 2 2HG2 VAL 2 -11.511 -2.323 -2.387
13 H CYS 3 H CYS 3 -7.758 -4.330 -0.950
14 HA CYS 3 HA CYS 3 -5.740 -2.825 0.460
15 HB2 CYS 3 2HB CYS 3 -5.809 -5.743 -0.167
16 HB3 CYS 3 1HB CYS 3 -4.506 -4.937 0.690
17 H ARG 4 H ARG 4 -4.209 -1.983 -0.385
18 HA ARG 4 HA ARG 4 -3.463 -2.741 -3.120
19 HB2 ARG 4 2HB ARG 4 -4.492 -0.534 -3.138
20 HB3 ARG 4 1HB ARG 4 -3.441 0.001 -1.838
21 HG2 ARG 4 2HG ARG 4 -2.715 0.918 -3.946
22 HG3 ARG 4 1HG ARG 4 -1.514 -0.184 -3.285
23 HD2 ARG 4 2HD ARG 4 -2.417 -1.964 -4.774
24 HD3 ARG 4 1HD ARG 4 -3.466 -0.759 -5.513
25 HE ARG 4 HE ARG 4 -0.840 0.187 -5.595
26 HH11 ARG 4 1HH1 ARG 4 -2.770 -2.389 -7.058
27 HH12 ARG 4 2HH1 ARG 4 -1.802 -2.507 -8.446
28 HH21 ARG 4 1HH2 ARG 4 0.486 -0.002 -7.478
29 HH22 ARG 4 2HH2 ARG 4 0.087 -1.133 -8.683
30 H ABA 5 H ABA 5 -1.515 -3.569 -3.247
31 HA ABA 5 HA ABA 5 0.327 -3.273 -1.048
32 HB3 ABA 5 1HB ABA 5 0.548 -4.855 -3.630
33 HB2 ABA 5 2HB ABA 5 -0.051 -5.494 -2.106
34 HG1 ABA 5 3HG ABA 5 2.240 -6.183 -2.505
35 HG3 ABA 5 1HG ABA 5 2.136 -5.141 -1.083
36 HG2 ABA 5 2HG ABA 5 2.740 -4.498 -2.612
37 H VAL 6 H VAL 6 1.088 -1.216 -1.138
38 HA VAL 6 HA VAL 6 2.073 -0.172 -3.677
39 HB VAL 6 HB VAL 6 2.383 1.963 -2.565
40 HG11 VAL 6 1HG1 VAL 6 -0.251 0.768 -1.766
41 HG12 VAL 6 2HG1 VAL 6 0.138 1.519 -3.314
42 HG13 VAL 6 3HG1 VAL 6 0.105 2.493 -1.844
43 HG21 VAL 6 3HG2 VAL 6 1.631 0.585 0.019
44 HG22 VAL 6 1HG2 VAL 6 1.848 2.323 -0.176
45 HG23 VAL 6 2HG2 VAL 6 3.216 1.235 -0.400
46 H CYS 7 H CYS 7 4.320 0.306 -3.989
47 HA CYS 7 HA CYS 7 5.921 -0.912 -1.897
48 HB2 CYS 7 2HB CYS 7 6.384 -1.219 -4.866
49 HB3 CYS 7 1HB CYS 7 7.393 -1.894 -3.590
50 H ARG 8 H ARG 8 7.824 0.036 -1.360
51 HA ARG 8 HA ARG 8 8.922 2.099 -3.000
52 HB2 ARG 8 2HB ARG 8 8.890 3.796 -1.147
53 HB3 ARG 8 1HB ARG 8 7.355 3.505 -1.939
54 HG2 ARG 8 2HG ARG 8 6.657 2.112 -0.048
55 HG3 ARG 8 1HG ARG 8 8.209 2.428 0.748
56 HD2 ARG 8 2HD ARG 8 6.387 3.893 1.565
57 HD3 ARG 8 1HD ARG 8 7.721 4.790 0.832
58 HE ARG 8 HE ARG 8 5.583 4.141 -0.979
59 HH11 ARG 8 1HH1 ARG 8 6.643 6.528 1.391
60 HH12 ARG 8 2HH1 ARG 8 5.889 7.844 0.618
61 HH21 ARG 8 1HH2 ARG 8 4.553 5.905 -2.032
62 HH22 ARG 8 2HH2 ARG 8 4.621 7.475 -1.379
63 H ARG 9 H ARG 9 10.983 2.089 -2.896
64 HA ARG 9 HA ARG 9 13.115 1.644 -2.370
65 HB2 ARG 9 2HB ARG 9 12.521 3.182 -0.421
66 HB3 ARG 9 1HB ARG 9 12.233 1.741 0.528
67 HG2 ARG 9 2HG ARG 9 14.564 1.097 0.314
68 HG3 ARG 9 1HG ARG 9 14.880 2.509 -0.699
69 HD2 ARG 9 2HD ARG 9 14.259 3.980 1.148
70 HD3 ARG 9 1HD ARG 9 13.890 2.579 2.139
71 HE ARG 9 HE ARG 9 16.429 2.123 1.489
72 HH11 ARG 9 1HH1 ARG 9 14.828 4.976 2.870
73 HH12 ARG 9 2HH1 ARG 9 16.195 5.536 3.699
74 HH21 ARG 9 1HH2 ARG 9 18.331 2.901 2.667
75 HH22 ARG 9 2HH2 ARG 9 18.221 4.344 3.568
76 H GLY 10 H GLY 10 11.341 -0.460 -2.906
77 HA2 GLY 10 2HA GLY 10 11.658 -2.730 -3.158
78 HA3 GLY 10 1HA GLY 10 12.963 -2.656 -1.981
79 H VAL 11 H VAL 11 10.366 -1.109 -0.632
80 HA VAL 11 HA VAL 11 9.685 -3.528 0.878
81 HB VAL 11 HB VAL 11 9.445 -0.616 1.698
82 HG11 VAL 11 1HG1 VAL 11 8.966 -1.481 3.931
83 HG12 VAL 11 2HG1 VAL 11 9.062 -3.129 3.315
84 HG13 VAL 11 3HG1 VAL 11 7.784 -2.057 2.753
85 HG21 VAL 11 3HG2 VAL 11 11.784 -1.275 1.553
86 HG22 VAL 11 1HG2 VAL 11 11.473 -2.686 2.562
87 HG23 VAL 11 2HG2 VAL 11 11.313 -1.067 3.239
88 H CYS 12 H CYS 12 7.704 -4.287 0.427
89 HA CYS 12 HA CYS 12 5.828 -2.396 -0.662
90 HB2 CYS 12 2HB CYS 12 5.699 -5.385 -0.620
91 HB3 CYS 12 1HB CYS 12 4.474 -4.342 -1.317
92 H ARG 13 H ARG 13 4.311 -1.687 0.360
93 HA ARG 13 HA ARG 13 3.614 -2.816 2.995
94 HB2 ARG 13 2HB ARG 13 4.530 -0.508 3.113
95 HB3 ARG 13 1HB ARG 13 3.288 0.011 1.984
96 HG2 ARG 13 2HG ARG 13 2.589 0.739 4.091
97 HG3 ARG 13 1HG ARG 13 1.583 -0.623 3.634
98 HD2 ARG 13 2HD ARG 13 3.883 -0.635 5.618
99 HD3 ARG 13 1HD ARG 13 2.178 -0.727 6.009
100 HE ARG 13 HE ARG 13 3.852 -2.835 4.875
101 HH11 ARG 13 1HH1 ARG 13 0.642 -1.894 6.184
102 HH12 ARG 13 2HH1 ARG 13 0.171 -3.496 6.458
103 HH21 ARG 13 1HH2 ARG 13 3.104 -5.044 5.286
104 HH22 ARG 13 2HH2 ARG 13 1.575 -5.290 5.976
105 H ABA 14 H ABA 14 1.681 -3.742 3.110
106 HA ABA 14 HA ABA 14 -0.228 -3.384 0.993
107 HB3 ABA 14 1HB ABA 14 -0.469 -4.988 3.551
108 HB2 ABA 14 2HB ABA 14 0.153 -5.621 2.031
109 HG1 ABA 14 3HG ABA 14 -2.007 -5.277 0.972
110 HG3 ABA 14 1HG ABA 14 -2.632 -4.563 2.461
111 HG2 ABA 14 2HG ABA 14 -2.182 -6.261 2.428
112 H VAL 15 H VAL 15 -1.116 -1.468 1.046
113 HA VAL 15 HA VAL 15 -2.068 -0.354 3.560
114 HB VAL 15 HB VAL 15 -1.897 0.863 0.779
115 HG11 VAL 15 1HG1 VAL 15 -2.481 2.989 1.849
116 HG12 VAL 15 2HG1 VAL 15 -2.680 2.166 3.390
117 HG13 VAL 15 3HG1 VAL 15 -3.770 1.799 2.049
118 HG21 VAL 15 3HG2 VAL 15 -0.266 1.403 3.264
119 HG22 VAL 15 1HG2 VAL 15 -0.120 2.263 1.732
120 HG23 VAL 15 2HG2 VAL 15 0.290 0.548 1.824
121 H CYS 16 H CYS 16 -3.990 -1.153 4.057
122 HA CYS 16 HA CYS 16 -5.857 -1.563 1.888
123 HB2 CYS 16 2HB CYS 16 -6.127 -2.339 4.803
124 HB3 CYS 16 1HB CYS 16 -7.272 -2.751 3.529
125 H ARG 17 H ARG 17 -7.368 -0.235 1.432
126 HA ARG 17 HA ARG 17 -8.171 1.765 3.361
127 HB2 ARG 17 2HB ARG 17 -7.899 3.515 1.582
128 HB3 ARG 17 1HB ARG 17 -6.394 2.871 2.212
129 HG2 ARG 17 2HG ARG 17 -6.158 1.460 0.225
130 HG3 ARG 17 1HG ARG 17 -7.685 2.088 -0.401
131 HD2 ARG 17 2HD ARG 17 -5.205 3.703 0.180
132 HD3 ARG 17 1HD ARG 17 -5.780 3.218 -1.418
133 HE ARG 17 HE ARG 17 -7.894 4.447 -0.523
134 HH11 ARG 17 1HH1 ARG 17 -4.513 5.520 -0.414
135 HH12 ARG 17 2HH1 ARG 17 -4.892 7.174 -0.359
136 HH21 ARG 17 1HH2 ARG 17 -8.409 6.687 -0.470
137 HH22 ARG 17 2HH2 ARG 17 -7.182 7.870 -0.402
138 H ARG 18 H ARG 18 -10.269 2.080 3.292
139 HA ARG 18 HA ARG 18 -12.455 1.862 2.797
140 HB2 ARG 18 2HB ARG 18 -11.649 3.232 0.770
141 HB3 ARG 18 1HB ARG 18 -11.657 1.722 -0.123
142 HG2 ARG 18 2HG ARG 18 -14.104 1.532 0.491
143 HG3 ARG 18 1HG ARG 18 -13.991 3.207 1.046
144 HD2 ARG 18 2HD ARG 18 -14.794 3.228 -1.204
145 HD3 ARG 18 1HD ARG 18 -13.126 3.809 -1.211
146 HE ARG 18 HE ARG 18 -13.485 0.982 -1.675
147 HH11 ARG 18 1HH1 ARG 18 -13.047 4.161 -3.183
148 HH12 ARG 18 2HH1 ARG 18 -12.511 3.555 -4.669
149 HH21 ARG 18 1HH2 ARG 18 -12.769 0.136 -3.750
150 HH22 ARG 18 2HH2 ARG 18 -12.368 1.197 -5.008
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -10.665 -1.176 3.425
2 HA2 GLY 1 2HA GLY 1 -10.816 -3.510 3.419
3 HA3 GLY 1 1HA GLY 1 -12.352 -3.377 2.567
4 H VAL 2 H VAL 2 -10.326 -1.379 0.937
5 HA VAL 2 HA VAL 2 -9.723 -3.488 -0.996
6 HB VAL 2 HB VAL 2 -9.822 -0.474 -1.368
7 HG11 VAL 2 1HG1 VAL 2 -9.734 -0.947 -3.764
8 HG12 VAL 2 2HG1 VAL 2 -9.631 -2.667 -3.435
9 HG13 VAL 2 3HG1 VAL 2 -8.309 -1.599 -2.950
10 HG21 VAL 2 3HG2 VAL 2 -11.830 -2.574 -2.182
11 HG22 VAL 2 1HG2 VAL 2 -11.912 -0.865 -2.600
12 HG23 VAL 2 2HG2 VAL 2 -12.042 -1.374 -0.912
13 H CYS 3 H CYS 3 -7.695 -4.141 -0.922
14 HA CYS 3 HA CYS 3 -5.808 -2.390 0.373
15 HB2 CYS 3 2HB CYS 3 -5.586 -5.306 -0.250
16 HB3 CYS 3 1HB CYS 3 -4.384 -4.362 0.615
17 H ARG 4 H ARG 4 -4.290 -1.465 -0.467
18 HA ARG 4 HA ARG 4 -3.532 -1.913 -3.298
19 HB2 ARG 4 2HB ARG 4 -4.470 0.367 -2.649
20 HB3 ARG 4 1HB ARG 4 -3.105 0.502 -1.546
21 HG2 ARG 4 2HG ARG 4 -2.446 1.763 -3.326
22 HG3 ARG 4 1HG ARG 4 -1.633 0.212 -3.528
23 HD2 ARG 4 2HD ARG 4 -4.151 1.088 -4.957
24 HD3 ARG 4 1HD ARG 4 -2.544 1.144 -5.654
25 HE ARG 4 HE ARG 4 -2.713 -1.443 -5.164
26 HH11 ARG 4 1HH1 ARG 4 -5.177 0.715 -6.473
27 HH12 ARG 4 2HH1 ARG 4 -5.973 -0.493 -7.372
28 HH21 ARG 4 1HH2 ARG 4 -3.756 -3.086 -6.437
29 HH22 ARG 4 2HH2 ARG 4 -5.120 -2.709 -7.378
30 H ABA 5 H ABA 5 -1.533 -2.865 -3.489
31 HA ABA 5 HA ABA 5 0.328 -2.652 -1.247
32 HB3 ABA 5 1HB ABA 5 0.314 -4.573 -3.596
33 HB2 ABA 5 2HB ABA 5 -0.259 -4.953 -1.976
34 HG1 ABA 5 3HG ABA 5 1.955 -5.877 -2.357
35 HG3 ABA 5 1HG ABA 5 1.991 -4.646 -1.095
36 HG2 ABA 5 2HG ABA 5 2.573 -4.260 -2.712
37 H VAL 6 H VAL 6 1.664 -1.014 -1.460
38 HA VAL 6 HA VAL 6 2.724 -0.457 -4.123
39 HB VAL 6 HB VAL 6 3.299 1.831 -3.265
40 HG11 VAL 6 1HG1 VAL 6 1.014 2.744 -3.333
41 HG12 VAL 6 2HG1 VAL 6 0.374 1.116 -3.121
42 HG13 VAL 6 3HG1 VAL 6 1.283 1.525 -4.578
43 HG21 VAL 6 3HG2 VAL 6 3.347 1.372 -0.866
44 HG22 VAL 6 1HG2 VAL 6 1.616 1.037 -0.878
45 HG23 VAL 6 2HG2 VAL 6 2.199 2.666 -1.217
46 H CYS 7 H CYS 7 4.851 -0.766 -4.443
47 HA CYS 7 HA CYS 7 6.374 -1.442 -2.064
48 HB2 CYS 7 2HB CYS 7 7.045 -2.033 -4.954
49 HB3 CYS 7 1HB CYS 7 7.896 -2.631 -3.538
50 H ARG 8 H ARG 8 7.863 -0.270 -1.317
51 HA ARG 8 HA ARG 8 8.912 1.819 -3.015
52 HB2 ARG 8 2HB ARG 8 8.574 3.475 -1.160
53 HB3 ARG 8 1HB ARG 8 7.123 2.958 -1.995
54 HG2 ARG 8 2HG ARG 8 6.593 1.441 -0.141
55 HG3 ARG 8 1HG ARG 8 8.043 1.979 0.706
56 HD2 ARG 8 2HD ARG 8 6.001 3.108 1.509
57 HD3 ARG 8 1HD ARG 8 7.166 4.241 0.831
58 HE ARG 8 HE ARG 8 5.557 3.658 -1.268
59 HH11 ARG 8 1HH1 ARG 8 4.799 4.793 2.027
60 HH12 ARG 8 2HH1 ARG 8 3.485 5.743 1.498
61 HH21 ARG 8 1HH2 ARG 8 3.739 4.944 -1.915
62 HH22 ARG 8 2HH2 ARG 8 2.881 5.821 -0.742
63 H ARG 9 H ARG 9 10.936 1.747 -2.982
64 HA ARG 9 HA ARG 9 13.060 1.439 -2.474
65 HB2 ARG 9 2HB ARG 9 12.504 3.278 -0.853
66 HB3 ARG 9 1HB ARG 9 12.251 2.053 0.379
67 HG2 ARG 9 2HG ARG 9 14.567 1.428 0.303
68 HG3 ARG 9 1HG ARG 9 14.847 2.481 -1.078
69 HD2 ARG 9 2HD ARG 9 15.643 3.497 0.995
70 HD3 ARG 9 1HD ARG 9 14.325 4.425 0.280
71 HE ARG 9 HE ARG 9 13.294 2.609 2.148
72 HH11 ARG 9 1HH1 ARG 9 15.186 5.620 2.042
73 HH12 ARG 9 2HH1 ARG 9 14.652 6.138 3.584
74 HH21 ARG 9 1HH2 ARG 9 12.578 3.386 4.236
75 HH22 ARG 9 2HH2 ARG 9 13.173 4.882 4.819
76 H GLY 10 H GLY 10 11.410 -0.774 -2.590
77 HA2 GLY 10 2HA GLY 10 12.083 -2.987 -2.595
78 HA3 GLY 10 1HA GLY 10 13.168 -2.658 -1.251
79 H VAL 11 H VAL 11 10.387 -1.240 -0.283
80 HA VAL 11 HA VAL 11 9.630 -3.696 1.121
81 HB VAL 11 HB VAL 11 9.296 -0.813 2.021
82 HG11 VAL 11 1HG1 VAL 11 8.686 -3.375 3.502
83 HG12 VAL 11 2HG1 VAL 11 7.496 -2.252 2.851
84 HG13 VAL 11 3HG1 VAL 11 8.564 -1.743 4.164
85 HG21 VAL 11 3HG2 VAL 11 10.973 -1.344 3.717
86 HG22 VAL 11 1HG2 VAL 11 11.617 -1.565 2.089
87 HG23 VAL 11 2HG2 VAL 11 11.141 -2.968 3.047
88 H CYS 12 H CYS 12 7.805 -4.510 0.364
89 HA CYS 12 HA CYS 12 5.883 -2.750 -0.826
90 HB2 CYS 12 2HB CYS 12 5.728 -5.693 -0.368
91 HB3 CYS 12 1HB CYS 12 4.615 -4.751 -1.342
92 H ARG 13 H ARG 13 4.576 -1.772 0.089
93 HA ARG 13 HA ARG 13 3.668 -2.530 2.784
94 HB2 ARG 13 2HB ARG 13 4.951 -0.434 2.689
95 HB3 ARG 13 1HB ARG 13 3.873 0.181 1.459
96 HG2 ARG 13 2HG ARG 13 3.452 1.216 3.600
97 HG3 ARG 13 1HG ARG 13 2.060 0.289 3.055
98 HD2 ARG 13 2HD ARG 13 4.037 -1.004 4.883
99 HD3 ARG 13 1HD ARG 13 2.902 0.147 5.563
100 HE ARG 13 HE ARG 13 1.213 -1.388 4.309
101 HH11 ARG 13 1HH1 ARG 13 4.019 -2.418 6.242
102 HH12 ARG 13 2HH1 ARG 13 3.310 -3.881 6.711
103 HH21 ARG 13 1HH2 ARG 13 0.227 -3.403 5.037
104 HH22 ARG 13 2HH2 ARG 13 1.127 -4.457 6.008
105 H ABA 14 H ABA 14 1.701 -3.242 2.802
106 HA ABA 14 HA ABA 14 -0.166 -2.570 0.687
107 HB3 ABA 14 1HB ABA 14 -0.363 -4.557 2.962
108 HB2 ABA 14 2HB ABA 14 0.150 -4.952 1.330
109 HG1 ABA 14 3HG ABA 14 -2.153 -5.602 1.697
110 HG3 ABA 14 1HG ABA 14 -2.051 -4.326 0.483
111 HG2 ABA 14 2HG ABA 14 -2.569 -3.943 2.124
112 H VAL 15 H VAL 15 -1.427 -0.939 0.983
113 HA VAL 15 HA VAL 15 -2.264 -0.259 3.694
114 HB VAL 15 HB VAL 15 -2.754 2.039 2.840
115 HG11 VAL 15 1HG1 VAL 15 0.092 1.155 2.428
116 HG12 VAL 15 2HG1 VAL 15 -0.649 1.628 3.959
117 HG13 VAL 15 3HG1 VAL 15 -0.434 2.821 2.677
118 HG21 VAL 15 3HG2 VAL 15 -3.061 1.562 0.461
119 HG22 VAL 15 1HG2 VAL 15 -1.360 1.118 0.314
120 HG23 VAL 15 2HG2 VAL 15 -1.808 2.781 0.683
121 H CYS 16 H CYS 16 -4.407 -0.357 4.107
122 HA CYS 16 HA CYS 16 -5.998 -1.116 1.804
123 HB2 CYS 16 2HB CYS 16 -6.387 -1.966 4.682
124 HB3 CYS 16 1HB CYS 16 -7.403 -2.462 3.326
125 H ARG 17 H ARG 17 -7.783 -0.049 1.337
126 HA ARG 17 HA ARG 17 -8.654 2.020 3.221
127 HB2 ARG 17 2HB ARG 17 -8.429 2.295 0.212
128 HB3 ARG 17 1HB ARG 17 -9.024 3.517 1.322
129 HG2 ARG 17 2HG ARG 17 -6.808 3.675 2.346
130 HG3 ARG 17 1HG ARG 17 -6.209 2.442 1.236
131 HD2 ARG 17 2HD ARG 17 -7.314 5.142 0.471
132 HD3 ARG 17 1HD ARG 17 -5.610 4.693 0.478
133 HE ARG 17 HE ARG 17 -7.069 2.917 -1.154
134 HH11 ARG 17 1HH1 ARG 17 -5.899 6.261 -1.171
135 HH12 ARG 17 2HH1 ARG 17 -5.832 6.387 -2.866
136 HH21 ARG 17 1HH2 ARG 17 -7.003 3.076 -3.446
137 HH22 ARG 17 2HH2 ARG 17 -6.502 4.512 -4.214
138 H ARG 18 H ARG 18 -10.544 1.340 3.857
139 HA ARG 18 HA ARG 18 -12.696 0.717 3.922
140 HB2 ARG 18 2HB ARG 18 -12.877 2.599 2.227
141 HB3 ARG 18 1HB ARG 18 -12.761 1.405 0.960
142 HG2 ARG 18 2HG ARG 18 -15.060 2.153 1.304
143 HG3 ARG 18 1HG ARG 18 -14.887 0.435 1.651
144 HD2 ARG 18 2HD ARG 18 -14.940 0.823 4.006
145 HD3 ARG 18 1HD ARG 18 -14.803 2.564 3.788
146 HE ARG 18 HE ARG 18 -17.022 2.342 2.617
147 HH11 ARG 18 1HH1 ARG 18 -16.129 0.132 5.263
148 HH12 ARG 18 2HH1 ARG 18 -17.718 -0.050 5.827
149 HH21 ARG 18 1HH2 ARG 18 -19.238 2.062 3.435
150 HH22 ARG 18 2HH2 ARG 18 -19.496 1.048 4.775
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -11.675 -1.265 2.913
2 HA2 GLY 1 2HA GLY 1 -12.133 -3.541 2.542
3 HA3 GLY 1 1HA GLY 1 -13.333 -3.072 1.348
4 H VAL 2 H VAL 2 -10.448 -1.432 0.742
5 HA VAL 2 HA VAL 2 -9.698 -3.464 -1.241
6 HB VAL 2 HB VAL 2 -9.661 -0.446 -1.590
7 HG11 VAL 2 1HG1 VAL 2 -8.999 -0.904 -3.919
8 HG12 VAL 2 2HG1 VAL 2 -8.864 -2.621 -3.524
9 HG13 VAL 2 3HG1 VAL 2 -7.788 -1.457 -2.760
10 HG21 VAL 2 3HG2 VAL 2 -11.370 -2.533 -2.932
11 HG22 VAL 2 1HG2 VAL 2 -11.349 -0.817 -3.337
12 HG23 VAL 2 2HG2 VAL 2 -11.913 -1.345 -1.748
13 H CYS 3 H CYS 3 -7.659 -4.096 -1.102
14 HA CYS 3 HA CYS 3 -5.895 -2.503 0.530
15 HB2 CYS 3 2HB CYS 3 -5.587 -5.306 -0.490
16 HB3 CYS 3 1HB CYS 3 -4.364 -4.461 0.438
17 H ARG 4 H ARG 4 -4.369 -1.435 -0.181
18 HA ARG 4 HA ARG 4 -3.598 -1.656 -3.021
19 HB2 ARG 4 2HB ARG 4 -4.727 0.479 -2.415
20 HB3 ARG 4 1HB ARG 4 -3.525 0.743 -1.167
21 HG2 ARG 4 2HG ARG 4 -3.107 2.136 -3.087
22 HG3 ARG 4 1HG ARG 4 -1.803 0.973 -2.849
23 HD2 ARG 4 2HD ARG 4 -2.675 -0.422 -4.625
24 HD3 ARG 4 1HD ARG 4 -4.074 0.635 -4.813
25 HE ARG 4 HE ARG 4 -2.528 2.370 -5.523
26 HH11 ARG 4 1HH1 ARG 4 -1.422 -1.008 -5.798
27 HH12 ARG 4 2HH1 ARG 4 -0.282 -0.635 -7.013
28 HH21 ARG 4 1HH2 ARG 4 -0.947 2.797 -7.225
29 HH22 ARG 4 2HH2 ARG 4 -0.017 1.500 -7.824
30 H ABA 5 H ABA 5 -1.610 -2.474 -3.254
31 HA ABA 5 HA ABA 5 0.244 -2.193 -1.006
32 HB3 ABA 5 1HB ABA 5 0.142 -4.349 -3.133
33 HB2 ABA 5 2HB ABA 5 -0.392 -4.528 -1.465
34 HG1 ABA 5 3HG ABA 5 2.435 -4.012 -2.360
35 HG3 ABA 5 1HG ABA 5 1.785 -5.550 -1.793
36 HG2 ABA 5 2HG ABA 5 1.899 -4.180 -0.690
37 H VAL 6 H VAL 6 1.746 -0.790 -1.358
38 HA VAL 6 HA VAL 6 2.714 -0.421 -4.085
39 HB VAL 6 HB VAL 6 3.344 1.909 -3.422
40 HG11 VAL 6 1HG1 VAL 6 1.294 1.522 -4.669
41 HG12 VAL 6 2HG1 VAL 6 1.078 2.860 -3.536
42 HG13 VAL 6 3HG1 VAL 6 0.411 1.272 -3.163
43 HG21 VAL 6 3HG2 VAL 6 2.306 2.929 -1.427
44 HG22 VAL 6 1HG2 VAL 6 3.434 1.644 -0.992
45 HG23 VAL 6 2HG2 VAL 6 1.692 1.347 -0.951
46 H CYS 7 H CYS 7 4.852 -0.672 -4.378
47 HA CYS 7 HA CYS 7 6.355 -1.226 -1.947
48 HB2 CYS 7 2HB CYS 7 6.955 -2.247 -4.736
49 HB3 CYS 7 1HB CYS 7 7.794 -2.688 -3.254
50 H ARG 8 H ARG 8 8.275 -0.294 -1.580
51 HA ARG 8 HA ARG 8 9.416 1.463 -3.554
52 HB2 ARG 8 2HB ARG 8 9.331 3.436 -2.059
53 HB3 ARG 8 1HB ARG 8 7.745 2.946 -2.634
54 HG2 ARG 8 2HG ARG 8 7.351 1.841 -0.463
55 HG3 ARG 8 1HG ARG 8 8.915 2.430 0.093
56 HD2 ARG 8 2HD ARG 8 6.598 4.122 -0.819
57 HD3 ARG 8 1HD ARG 8 7.083 3.856 0.851
58 HE ARG 8 HE ARG 8 9.087 4.998 -0.922
59 HH11 ARG 8 1HH1 ARG 8 6.628 5.593 1.575
60 HH12 ARG 8 2HH1 ARG 8 7.238 7.121 1.986
61 HH21 ARG 8 1HH2 ARG 8 9.875 7.124 -0.387
62 HH22 ARG 8 2HH2 ARG 8 9.123 8.029 0.838
63 H ARG 9 H ARG 9 11.535 1.647 -3.306
64 HA ARG 9 HA ARG 9 13.631 1.193 -2.631
65 HB2 ARG 9 2HB ARG 9 12.895 2.783 -0.761
66 HB3 ARG 9 1HB ARG 9 12.580 1.359 0.212
67 HG2 ARG 9 2HG ARG 9 14.987 0.746 -0.042
68 HG3 ARG 9 1HG ARG 9 15.237 2.299 -0.843
69 HD2 ARG 9 2HD ARG 9 15.830 2.539 1.444
70 HD3 ARG 9 1HD ARG 9 14.324 3.413 1.176
71 HE ARG 9 HE ARG 9 14.200 0.684 2.199
72 HH11 ARG 9 1HH1 ARG 9 13.664 4.151 2.776
73 HH12 ARG 9 2HH1 ARG 9 13.003 3.957 4.310
74 HH21 ARG 9 1HH2 ARG 9 13.228 0.403 4.350
75 HH22 ARG 9 2HH2 ARG 9 12.707 1.774 5.205
76 H GLY 10 H GLY 10 11.693 -0.883 -3.007
77 HA2 GLY 10 2HA GLY 10 11.968 -3.207 -3.136
78 HA3 GLY 10 1HA GLY 10 13.264 -3.080 -1.965
79 H VAL 11 H VAL 11 10.792 -1.352 -0.646
80 HA VAL 11 HA VAL 11 10.050 -3.626 1.043
81 HB VAL 11 HB VAL 11 9.890 -0.648 1.622
82 HG11 VAL 11 1HG1 VAL 11 9.479 -1.314 3.944
83 HG12 VAL 11 2HG1 VAL 11 9.481 -3.007 3.451
84 HG13 VAL 11 3HG1 VAL 11 8.221 -1.917 2.862
85 HG21 VAL 11 3HG2 VAL 11 11.877 -2.691 2.606
86 HG22 VAL 11 1HG2 VAL 11 11.772 -1.018 3.152
87 HG23 VAL 11 2HG2 VAL 11 12.202 -1.377 1.477
88 H CYS 12 H CYS 12 7.965 -4.292 0.929
89 HA CYS 12 HA CYS 12 6.217 -2.578 -0.569
90 HB2 CYS 12 2HB CYS 12 5.893 -5.469 0.154
91 HB3 CYS 12 1HB CYS 12 4.706 -4.534 -0.743
92 H ARG 13 H ARG 13 4.544 -1.639 0.140
93 HA ARG 13 HA ARG 13 3.873 -1.924 2.982
94 HB2 ARG 13 2HB ARG 13 4.916 0.231 2.401
95 HB3 ARG 13 1HB ARG 13 3.686 0.510 1.188
96 HG2 ARG 13 2HG ARG 13 3.306 1.802 3.206
97 HG3 ARG 13 1HG ARG 13 1.987 0.671 2.882
98 HD2 ARG 13 2HD ARG 13 2.632 0.730 5.275
99 HD3 ARG 13 1HD ARG 13 2.828 -0.856 4.536
100 HE ARG 13 HE ARG 13 5.213 0.715 4.459
101 HH11 ARG 13 1HH1 ARG 13 3.345 -1.537 6.445
102 HH12 ARG 13 2HH1 ARG 13 4.658 -2.011 7.406
103 HH21 ARG 13 1HH2 ARG 13 6.983 0.113 5.729
104 HH22 ARG 13 2HH2 ARG 13 6.813 -1.021 7.006
105 H ABA 14 H ABA 14 1.852 -2.573 3.419
106 HA ABA 14 HA ABA 14 -0.078 -2.615 1.229
107 HB3 ABA 14 1HB ABA 14 -0.032 -4.207 3.804
108 HB2 ABA 14 2HB ABA 14 0.511 -4.803 2.239
109 HG1 ABA 14 3HG ABA 14 -2.298 -3.983 2.923
110 HG3 ABA 14 1HG ABA 14 -1.703 -5.635 2.763
111 HG2 ABA 14 2HG ABA 14 -1.748 -4.574 1.357
112 H VAL 15 H VAL 15 -1.494 -1.055 1.287
113 HA VAL 15 HA VAL 15 -2.353 0.068 3.858
114 HB VAL 15 HB VAL 15 -2.379 1.323 1.084
115 HG11 VAL 15 1HG1 VAL 15 -4.228 2.129 2.444
116 HG12 VAL 15 2HG1 VAL 15 -3.017 3.398 2.227
117 HG13 VAL 15 3HG1 VAL 15 -3.107 2.517 3.751
118 HG21 VAL 15 3HG2 VAL 15 -0.654 2.849 1.985
119 HG22 VAL 15 1HG2 VAL 15 -0.118 1.166 1.953
120 HG23 VAL 15 2HG2 VAL 15 -0.623 1.904 3.471
121 H CYS 16 H CYS 16 -4.266 -0.877 4.364
122 HA CYS 16 HA CYS 16 -6.046 -1.486 2.139
123 HB2 CYS 16 2HB CYS 16 -6.037 -2.707 4.914
124 HB3 CYS 16 1HB CYS 16 -7.210 -3.078 3.658
125 H ARG 17 H ARG 17 -8.001 -0.550 1.999
126 HA ARG 17 HA ARG 17 -9.324 0.546 4.248
127 HB2 ARG 17 2HB ARG 17 -9.331 2.918 3.438
128 HB3 ARG 17 1HB ARG 17 -7.806 2.368 4.102
129 HG2 ARG 17 2HG ARG 17 -6.892 2.108 1.874
130 HG3 ARG 17 1HG ARG 17 -8.441 2.593 1.169
131 HD2 ARG 17 2HD ARG 17 -6.779 4.423 1.250
132 HD3 ARG 17 1HD ARG 17 -8.257 4.776 2.138
133 HE ARG 17 HE ARG 17 -6.234 3.633 3.800
134 HH11 ARG 17 1HH1 ARG 17 -7.233 6.676 2.311
135 HH12 ARG 17 2HH1 ARG 17 -6.635 7.651 3.564
136 HH21 ARG 17 1HH2 ARG 17 -5.413 4.957 5.519
137 HH22 ARG 17 2HH2 ARG 17 -5.569 6.650 5.428
138 H ARG 18 H ARG 18 -11.388 1.061 3.851
139 HA ARG 18 HA ARG 18 -13.415 1.007 2.914
140 HB2 ARG 18 2HB ARG 18 -12.273 2.831 1.506
141 HB3 ARG 18 1HB ARG 18 -12.103 1.620 0.254
142 HG2 ARG 18 2HG ARG 18 -14.577 1.371 0.237
143 HG3 ARG 18 1HG ARG 18 -14.676 2.700 1.394
144 HD2 ARG 18 2HD ARG 18 -15.022 3.639 -0.768
145 HD3 ARG 18 1HD ARG 18 -13.398 4.090 -0.255
146 HE ARG 18 HE ARG 18 -13.810 1.754 -1.935
147 HH11 ARG 18 1HH1 ARG 18 -12.348 4.954 -1.495
148 HH12 ARG 18 2HH1 ARG 18 -11.515 4.962 -2.962
149 HH21 ARG 18 1HH2 ARG 18 -12.673 1.746 -4.013
150 HH22 ARG 18 2HH2 ARG 18 -11.720 3.074 -4.451
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.943 -1.186 2.997
2 HA2 GLY 1 2HA GLY 1 -11.202 -3.472 2.641
3 HA3 GLY 1 1HA GLY 1 -12.552 -3.115 1.572
4 H VAL 2 H VAL 2 -10.073 -1.180 0.589
5 HA VAL 2 HA VAL 2 -9.345 -3.097 -1.492
6 HB VAL 2 HB VAL 2 -9.039 -0.076 -1.480
7 HG11 VAL 2 1HG1 VAL 2 -8.623 -0.310 -3.890
8 HG12 VAL 2 2HG1 VAL 2 -8.698 -2.063 -3.726
9 HG13 VAL 2 3HG1 VAL 2 -7.415 -1.161 -2.924
10 HG21 VAL 2 3HG2 VAL 2 -11.133 -1.773 -2.846
11 HG22 VAL 2 1HG2 VAL 2 -10.913 -0.039 -3.087
12 HG23 VAL 2 2HG2 VAL 2 -11.397 -0.661 -1.507
13 H CYS 3 H CYS 3 -7.546 -4.086 -0.914
14 HA CYS 3 HA CYS 3 -5.546 -2.644 0.569
15 HB2 CYS 3 2HB CYS 3 -5.651 -5.514 -0.253
16 HB3 CYS 3 1HB CYS 3 -4.402 -4.803 0.752
17 H ARG 4 H ARG 4 -4.055 -1.736 -0.225
18 HA ARG 4 HA ARG 4 -3.161 -2.442 -2.954
19 HB2 ARG 4 2HB ARG 4 -4.300 -0.243 -2.848
20 HB3 ARG 4 1HB ARG 4 -3.108 0.297 -1.680
21 HG2 ARG 4 2HG ARG 4 -2.622 1.168 -3.866
22 HG3 ARG 4 1HG ARG 4 -1.347 0.079 -3.324
23 HD2 ARG 4 2HD ARG 4 -1.897 -0.313 -5.686
24 HD3 ARG 4 1HD ARG 4 -2.270 -1.722 -4.703
25 HE ARG 4 HE ARG 4 -4.320 0.226 -5.490
26 HH11 ARG 4 1HH1 ARG 4 -3.202 -3.140 -5.345
27 HH12 ARG 4 2HH1 ARG 4 -4.617 -3.809 -5.971
28 HH21 ARG 4 1HH2 ARG 4 -6.319 -0.729 -6.365
29 HH22 ARG 4 2HH2 ARG 4 -6.417 -2.417 -6.559
30 H ABA 5 H ABA 5 -1.123 -3.109 -3.114
31 HA ABA 5 HA ABA 5 0.652 -2.846 -0.832
32 HB3 ABA 5 1HB ABA 5 2.072 -4.454 -2.059
33 HB2 ABA 5 2HB ABA 5 0.952 -4.405 -3.413
34 HG1 ABA 5 3HG ABA 5 -0.805 -5.331 -1.976
35 HG3 ABA 5 1HG ABA 5 0.349 -5.424 -0.646
36 HG2 ABA 5 2HG ABA 5 0.593 -6.399 -2.097
37 H VAL 6 H VAL 6 1.282 -0.750 -0.911
38 HA VAL 6 HA VAL 6 2.361 0.409 -3.334
39 HB VAL 6 HB VAL 6 2.359 1.514 -0.499
40 HG11 VAL 6 1HG1 VAL 6 2.733 3.696 -1.564
41 HG12 VAL 6 2HG1 VAL 6 2.829 2.902 -3.139
42 HG13 VAL 6 3HG1 VAL 6 4.042 2.564 -1.906
43 HG21 VAL 6 3HG2 VAL 6 0.076 1.155 -1.282
44 HG22 VAL 6 1HG2 VAL 6 0.433 2.044 -2.764
45 HG23 VAL 6 2HG2 VAL 6 0.438 2.881 -1.211
46 H CYS 7 H CYS 7 4.283 -0.343 -3.928
47 HA CYS 7 HA CYS 7 6.161 -1.055 -1.846
48 HB2 CYS 7 2HB CYS 7 6.377 -1.613 -4.807
49 HB3 CYS 7 1HB CYS 7 7.396 -2.273 -3.540
50 H ARG 8 H ARG 8 7.710 0.101 -1.322
51 HA ARG 8 HA ARG 8 8.873 2.007 -3.224
52 HB2 ARG 8 2HB ARG 8 7.997 2.575 -0.402
53 HB3 ARG 8 1HB ARG 8 9.216 3.545 -1.212
54 HG2 ARG 8 2HG ARG 8 7.601 4.161 -2.922
55 HG3 ARG 8 1HG ARG 8 6.402 3.120 -2.135
56 HD2 ARG 8 2HD ARG 8 6.287 4.488 -0.236
57 HD3 ARG 8 1HD ARG 8 7.774 5.336 -0.648
58 HE ARG 8 HE ARG 8 6.399 6.150 -2.626
59 HH11 ARG 8 1HH1 ARG 8 4.914 5.468 0.511
60 HH12 ARG 8 2HH1 ARG 8 3.893 6.820 0.508
61 HH21 ARG 8 1HH2 ARG 8 5.018 8.071 -2.615
62 HH22 ARG 8 2HH2 ARG 8 3.963 8.352 -1.302
63 H ARG 9 H ARG 9 10.936 1.600 -3.429
64 HA ARG 9 HA ARG 9 13.063 0.977 -3.067
65 HB2 ARG 9 2HB ARG 9 12.951 2.698 -1.266
66 HB3 ARG 9 1HB ARG 9 12.393 1.473 -0.143
67 HG2 ARG 9 2HG ARG 9 14.549 0.348 -0.294
68 HG3 ARG 9 1HG ARG 9 15.105 1.547 -1.465
69 HD2 ARG 9 2HD ARG 9 14.845 3.295 0.176
70 HD3 ARG 9 1HD ARG 9 14.213 2.142 1.348
71 HE ARG 9 HE ARG 9 16.444 1.030 1.123
72 HH11 ARG 9 1HH1 ARG 9 16.100 4.508 0.536
73 HH12 ARG 9 2HH1 ARG 9 17.660 4.904 1.062
74 HH21 ARG 9 1HH2 ARG 9 18.599 1.578 1.900
75 HH22 ARG 9 2HH2 ARG 9 19.107 3.193 1.863
76 H GLY 10 H GLY 10 10.998 -0.934 -3.191
77 HA2 GLY 10 2HA GLY 10 10.958 -3.243 -3.249
78 HA3 GLY 10 1HA GLY 10 12.464 -3.258 -2.339
79 H VAL 11 H VAL 11 10.200 -1.291 -0.844
80 HA VAL 11 HA VAL 11 9.535 -3.442 1.026
81 HB VAL 11 HB VAL 11 9.522 -0.436 1.480
82 HG11 VAL 11 1HG1 VAL 11 9.085 -2.697 3.430
83 HG12 VAL 11 2HG1 VAL 11 7.865 -1.561 2.859
84 HG13 VAL 11 3HG1 VAL 11 9.201 -0.991 3.856
85 HG21 VAL 11 3HG2 VAL 11 11.463 -0.822 2.937
86 HG22 VAL 11 1HG2 VAL 11 11.803 -1.276 1.266
87 HG23 VAL 11 2HG2 VAL 11 11.468 -2.522 2.471
88 H CYS 12 H CYS 12 7.605 -4.205 0.524
89 HA CYS 12 HA CYS 12 5.694 -2.407 -0.648
90 HB2 CYS 12 2HB CYS 12 5.549 -5.346 -0.206
91 HB3 CYS 12 1HB CYS 12 4.334 -4.400 -1.029
92 H ARG 13 H ARG 13 4.427 -1.425 0.442
93 HA ARG 13 HA ARG 13 3.634 -2.521 3.050
94 HB2 ARG 13 2HB ARG 13 4.627 -0.257 3.210
95 HB3 ARG 13 1HB ARG 13 3.402 0.350 2.099
96 HG2 ARG 13 2HG ARG 13 2.829 0.946 4.358
97 HG3 ARG 13 1HG ARG 13 1.666 -0.209 3.699
98 HD2 ARG 13 2HD ARG 13 3.155 -2.004 4.840
99 HD3 ARG 13 1HD ARG 13 3.801 -0.645 5.758
100 HE ARG 13 HE ARG 13 1.235 -0.291 6.135
101 HH11 ARG 13 1HH1 ARG 13 3.207 -3.235 6.368
102 HH12 ARG 13 2HH1 ARG 13 2.115 -4.083 7.339
103 HH21 ARG 13 1HH2 ARG 13 -0.299 -1.466 7.474
104 HH22 ARG 13 2HH2 ARG 13 0.046 -3.059 7.965
105 H ABA 14 H ABA 14 1.682 -3.396 3.179
106 HA ABA 14 HA ABA 14 -0.204 -2.899 1.035
107 HB3 ABA 14 1HB ABA 14 -0.306 -4.914 3.296
108 HB2 ABA 14 2HB ABA 14 0.320 -5.242 1.686
109 HG1 ABA 14 3HG ABA 14 -1.937 -6.110 1.939
110 HG3 ABA 14 1HG ABA 14 -1.890 -4.824 0.734
111 HG2 ABA 14 2HG ABA 14 -2.520 -4.496 2.346
112 H VAL 15 H VAL 15 -1.135 -1.014 1.424
113 HA VAL 15 HA VAL 15 -2.310 -0.588 4.052
114 HB VAL 15 HB VAL 15 -2.844 1.739 3.262
115 HG11 VAL 15 1HG1 VAL 15 -0.804 1.319 4.522
116 HG12 VAL 15 2HG1 VAL 15 -0.557 2.597 3.333
117 HG13 VAL 15 3HG1 VAL 15 0.062 0.980 3.022
118 HG21 VAL 15 3HG2 VAL 15 -1.214 0.978 0.823
119 HG22 VAL 15 1HG2 VAL 15 -1.780 2.603 1.212
120 HG23 VAL 15 2HG2 VAL 15 -2.941 1.330 0.843
121 H CYS 16 H CYS 16 -4.373 -1.041 4.391
122 HA CYS 16 HA CYS 16 -5.923 -1.481 2.008
123 HB2 CYS 16 2HB CYS 16 -6.465 -2.421 4.837
124 HB3 CYS 16 1HB CYS 16 -7.461 -2.803 3.440
125 H ARG 17 H ARG 17 -7.496 -0.227 1.467
126 HA ARG 17 HA ARG 17 -8.457 1.792 3.386
127 HB2 ARG 17 2HB ARG 17 -7.684 2.234 0.495
128 HB3 ARG 17 1HB ARG 17 -8.373 3.444 1.563
129 HG2 ARG 17 2HG ARG 17 -6.379 3.384 2.951
130 HG3 ARG 17 1HG ARG 17 -5.703 2.104 1.945
131 HD2 ARG 17 2HD ARG 17 -4.757 4.272 1.350
132 HD3 ARG 17 1HD ARG 17 -5.699 3.603 0.020
133 HE ARG 17 HE ARG 17 -7.266 5.296 1.656
134 HH11 ARG 17 1HH1 ARG 17 -4.818 5.377 -0.873
135 HH12 ARG 17 2HH1 ARG 17 -5.219 6.898 -1.475
136 HH21 ARG 17 1HH2 ARG 17 -7.893 7.422 0.832
137 HH22 ARG 17 2HH2 ARG 17 -7.043 8.104 -0.463
138 H ARG 18 H ARG 18 -10.562 1.292 3.600
139 HA ARG 18 HA ARG 18 -12.754 0.933 3.132
140 HB2 ARG 18 2HB ARG 18 -12.431 2.935 1.711
141 HB3 ARG 18 1HB ARG 18 -11.930 1.920 0.379
142 HG2 ARG 18 2HG ARG 18 -14.201 1.041 0.203
143 HG3 ARG 18 1HG ARG 18 -14.688 2.022 1.595
144 HD2 ARG 18 2HD ARG 18 -14.161 4.038 0.434
145 HD3 ARG 18 1HD ARG 18 -13.494 3.145 -0.930
146 HE ARG 18 HE ARG 18 -16.111 2.345 -0.664
147 HH11 ARG 18 1HH1 ARG 18 -14.508 5.469 -1.133
148 HH12 ARG 18 2HH1 ARG 18 -15.650 6.065 -2.242
149 HH21 ARG 18 1HH2 ARG 18 -17.720 3.182 -2.188
150 HH22 ARG 18 2HH2 ARG 18 -17.529 4.740 -2.828
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -10.934 -1.868 3.417
2 HA2 GLY 1 2HA GLY 1 -10.547 -4.172 3.224
3 HA3 GLY 1 1HA GLY 1 -12.112 -4.345 2.450
4 H VAL 2 H VAL 2 -10.501 -1.854 0.953
5 HA VAL 2 HA VAL 2 -9.612 -3.619 -1.214
6 HB VAL 2 HB VAL 2 -10.025 -0.607 -1.232
7 HG11 VAL 2 1HG1 VAL 2 -8.421 -1.360 -2.903
8 HG12 VAL 2 2HG1 VAL 2 -9.908 -0.814 -3.676
9 HG13 VAL 2 3HG1 VAL 2 -9.582 -2.539 -3.507
10 HG21 VAL 2 3HG2 VAL 2 -12.073 -1.024 -2.488
11 HG22 VAL 2 1HG2 VAL 2 -12.140 -1.768 -0.894
12 HG23 VAL 2 2HG2 VAL 2 -11.828 -2.766 -2.314
13 H CYS 3 H CYS 3 -7.468 -3.914 -1.362
14 HA CYS 3 HA CYS 3 -5.913 -2.096 0.246
15 HB2 CYS 3 2HB CYS 3 -5.293 -4.925 -0.532
16 HB3 CYS 3 1HB CYS 3 -4.242 -3.882 0.418
17 H ARG 4 H ARG 4 -4.328 -1.011 -0.469
18 HA ARG 4 HA ARG 4 -3.484 -1.411 -3.263
19 HB2 ARG 4 2HB ARG 4 -4.580 0.728 -3.051
20 HB3 ARG 4 1HB ARG 4 -3.674 1.127 -1.613
21 HG2 ARG 4 2HG ARG 4 -2.981 2.382 -3.581
22 HG3 ARG 4 1HG ARG 4 -1.670 1.447 -2.873
23 HD2 ARG 4 2HD ARG 4 -1.689 1.375 -5.348
24 HD3 ARG 4 1HD ARG 4 -1.836 -0.212 -4.608
25 HE ARG 4 HE ARG 4 -4.359 0.245 -5.035
26 HH11 ARG 4 1HH1 ARG 4 -1.780 1.334 -7.213
27 HH12 ARG 4 2HH1 ARG 4 -2.611 0.901 -8.622
28 HH21 ARG 4 1HH2 ARG 4 -5.492 -0.330 -6.965
29 HH22 ARG 4 2HH2 ARG 4 -4.735 -0.091 -8.495
30 H ABA 5 H ABA 5 -1.504 -2.161 -3.476
31 HA ABA 5 HA ABA 5 0.336 -1.899 -1.205
32 HB3 ABA 5 1HB ABA 5 0.290 -3.968 -3.413
33 HB2 ABA 5 2HB ABA 5 -0.307 -4.217 -1.779
34 HG1 ABA 5 3HG ABA 5 2.552 -3.655 -2.531
35 HG3 ABA 5 1HG ABA 5 1.884 -5.221 -2.066
36 HG2 ABA 5 2HG ABA 5 1.943 -3.901 -0.896
37 H VAL 6 H VAL 6 1.866 -0.485 -1.450
38 HA VAL 6 HA VAL 6 2.976 -0.107 -4.119
39 HB VAL 6 HB VAL 6 3.676 2.181 -3.376
40 HG11 VAL 6 1HG1 VAL 6 1.467 3.241 -3.596
41 HG12 VAL 6 2HG1 VAL 6 0.705 1.678 -3.294
42 HG13 VAL 6 3HG1 VAL 6 1.682 1.912 -4.740
43 HG21 VAL 6 3HG2 VAL 6 2.568 3.211 -1.416
44 HG22 VAL 6 1HG2 VAL 6 3.624 1.874 -0.956
45 HG23 VAL 6 2HG2 VAL 6 1.878 1.640 -1.003
46 H CYS 7 H CYS 7 5.140 -0.394 -4.301
47 HA CYS 7 HA CYS 7 6.456 -1.136 -1.816
48 HB2 CYS 7 2HB CYS 7 7.108 -2.102 -4.607
49 HB3 CYS 7 1HB CYS 7 7.855 -2.651 -3.110
50 H ARG 8 H ARG 8 8.291 -0.246 -1.257
51 HA ARG 8 HA ARG 8 9.506 1.668 -3.120
52 HB2 ARG 8 2HB ARG 8 8.943 2.165 -0.195
53 HB3 ARG 8 1HB ARG 8 9.791 3.257 -1.274
54 HG2 ARG 8 2HG ARG 8 7.733 3.523 -2.587
55 HG3 ARG 8 1HG ARG 8 6.903 2.446 -1.463
56 HD2 ARG 8 2HD ARG 8 8.163 5.105 -0.795
57 HD3 ARG 8 1HD ARG 8 6.438 4.748 -0.895
58 HE ARG 8 HE ARG 8 7.817 3.080 0.972
59 HH11 ARG 8 1HH1 ARG 8 6.248 6.228 0.596
60 HH12 ARG 8 2HH1 ARG 8 5.963 6.444 2.258
61 HH21 ARG 8 1HH2 ARG 8 7.455 3.356 3.189
62 HH22 ARG 8 2HH2 ARG 8 6.665 4.743 3.809
63 H ARG 9 H ARG 9 11.478 1.006 -3.387
64 HA ARG 9 HA ARG 9 13.561 0.205 -3.084
65 HB2 ARG 9 2HB ARG 9 13.560 2.092 -1.372
66 HB3 ARG 9 1HB ARG 9 13.210 0.884 -0.147
67 HG2 ARG 9 2HG ARG 9 15.334 -0.266 -0.787
68 HG3 ARG 9 1HG ARG 9 15.690 1.107 -1.835
69 HD2 ARG 9 2HD ARG 9 15.532 2.592 0.132
70 HD3 ARG 9 1HD ARG 9 15.284 1.176 1.145
71 HE ARG 9 HE ARG 9 17.684 1.445 -0.505
72 HH11 ARG 9 1HH1 ARG 9 16.234 0.942 2.706
73 HH12 ARG 9 2HH1 ARG 9 17.743 0.721 3.473
74 HH21 ARG 9 1HH2 ARG 9 19.713 1.189 0.592
75 HH22 ARG 9 2HH2 ARG 9 19.739 0.870 2.275
76 H GLY 10 H GLY 10 11.382 -1.582 -2.940
77 HA2 GLY 10 2HA GLY 10 11.382 -3.913 -2.838
78 HA3 GLY 10 1HA GLY 10 12.787 -3.842 -1.783
79 H VAL 11 H VAL 11 10.680 -1.688 -0.477
80 HA VAL 11 HA VAL 11 9.700 -3.733 1.356
81 HB VAL 11 HB VAL 11 9.860 -0.727 1.757
82 HG11 VAL 11 1HG1 VAL 11 9.433 -1.247 4.126
83 HG12 VAL 11 2HG1 VAL 11 9.272 -2.951 3.715
84 HG13 VAL 11 3HG1 VAL 11 8.107 -1.781 3.094
85 HG21 VAL 11 3HG2 VAL 11 11.673 -2.895 2.832
86 HG22 VAL 11 1HG2 VAL 11 11.747 -1.190 3.270
87 HG23 VAL 11 2HG2 VAL 11 12.107 -1.696 1.619
88 H CYS 12 H CYS 12 7.660 -4.311 0.970
89 HA CYS 12 HA CYS 12 6.050 -2.458 -0.498
90 HB2 CYS 12 2HB CYS 12 5.570 -5.329 0.178
91 HB3 CYS 12 1HB CYS 12 4.479 -4.341 -0.777
92 H ARG 13 H ARG 13 4.552 -1.374 0.247
93 HA ARG 13 HA ARG 13 3.544 -1.877 2.968
94 HB2 ARG 13 2HB ARG 13 4.907 0.141 2.907
95 HB3 ARG 13 1HB ARG 13 4.046 0.726 1.500
96 HG2 ARG 13 2HG ARG 13 3.434 1.954 3.490
97 HG3 ARG 13 1HG ARG 13 2.057 1.081 2.828
98 HD2 ARG 13 2HD ARG 13 2.181 -0.569 4.561
99 HD3 ARG 13 1HD ARG 13 3.730 0.055 5.129
100 HE ARG 13 HE ARG 13 2.615 2.008 5.910
101 HH11 ARG 13 1HH1 ARG 13 0.347 -0.618 5.025
102 HH12 ARG 13 2HH1 ARG 13 -0.897 -0.006 5.975
103 HH21 ARG 13 1HH2 ARG 13 0.836 2.805 7.224
104 HH22 ARG 13 2HH2 ARG 13 -0.633 1.955 7.263
105 H ABA 14 H ABA 14 1.488 -2.482 2.934
106 HA ABA 14 HA ABA 14 -0.122 -1.584 0.692
107 HB3 ABA 14 1HB ABA 14 0.044 -3.996 0.645
108 HB2 ABA 14 2HB ABA 14 -1.589 -3.558 1.115
109 HG1 ABA 14 3HG ABA 14 0.577 -4.514 2.966
110 HG3 ABA 14 1HG ABA 14 -0.817 -5.439 2.407
111 HG2 ABA 14 2HG ABA 14 -1.050 -4.034 3.453
112 H VAL 15 H VAL 15 -1.526 -0.203 1.023
113 HA VAL 15 HA VAL 15 -2.496 0.198 3.734
114 HB VAL 15 HB VAL 15 -3.219 2.486 2.961
115 HG11 VAL 15 1HG1 VAL 15 -1.110 2.239 4.140
116 HG12 VAL 15 2HG1 VAL 15 -0.970 3.487 2.901
117 HG13 VAL 15 3HG1 VAL 15 -0.282 1.888 2.622
118 HG21 VAL 15 3HG2 VAL 15 -3.392 2.038 0.559
119 HG22 VAL 15 1HG2 VAL 15 -1.645 1.809 0.463
120 HG23 VAL 15 2HG2 VAL 15 -2.307 3.394 0.871
121 H CYS 16 H CYS 16 -4.532 -0.329 4.136
122 HA CYS 16 HA CYS 16 -6.109 -0.945 1.792
123 HB2 CYS 16 2HB CYS 16 -6.420 -2.043 4.593
124 HB3 CYS 16 1HB CYS 16 -7.390 -2.504 3.202
125 H ARG 17 H ARG 17 -8.202 -0.256 1.604
126 HA ARG 17 HA ARG 17 -9.374 1.279 3.763
127 HB2 ARG 17 2HB ARG 17 -9.993 3.178 2.336
128 HB3 ARG 17 1HB ARG 17 -8.255 3.002 2.404
129 HG2 ARG 17 2HG ARG 17 -8.285 1.975 0.173
130 HG3 ARG 17 1HG ARG 17 -10.038 2.181 0.119
131 HD2 ARG 17 2HD ARG 17 -7.993 4.385 0.363
132 HD3 ARG 17 1HD ARG 17 -8.908 3.990 -1.087
133 HE ARG 17 HE ARG 17 -10.918 4.506 0.451
134 HH11 ARG 17 1HH1 ARG 17 -7.838 6.236 0.493
135 HH12 ARG 17 2HH1 ARG 17 -8.497 7.714 1.035
136 HH21 ARG 17 1HH2 ARG 17 -11.832 6.510 1.187
137 HH22 ARG 17 2HH2 ARG 17 -10.860 7.871 1.444
138 H ARG 18 H ARG 18 -11.292 0.531 4.098
139 HA ARG 18 HA ARG 18 -13.347 -0.399 3.862
140 HB2 ARG 18 2HB ARG 18 -13.565 1.499 2.148
141 HB3 ARG 18 1HB ARG 18 -13.181 0.313 0.919
142 HG2 ARG 18 2HG ARG 18 -15.192 -0.974 1.608
143 HG3 ARG 18 1HG ARG 18 -15.606 0.342 2.707
144 HD2 ARG 18 2HD ARG 18 -16.833 0.666 0.676
145 HD3 ARG 18 1HD ARG 18 -15.555 1.882 0.759
146 HE ARG 18 HE ARG 18 -14.903 -0.534 -0.680
147 HH11 ARG 18 1HH1 ARG 18 -16.002 2.841 -0.977
148 HH12 ARG 18 2HH1 ARG 18 -15.759 2.916 -2.646
149 HH21 ARG 18 1HH2 ARG 18 -14.559 -0.429 -2.945
150 HH22 ARG 18 2HH2 ARG 18 -14.904 0.980 -3.830
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -11.224 -0.814 2.974
2 HA2 GLY 1 2HA GLY 1 -11.902 -2.971 2.586
3 HA3 GLY 1 1HA GLY 1 -13.159 -2.344 1.529
4 H VAL 2 H VAL 2 -10.032 -1.159 0.772
5 HA VAL 2 HA VAL 2 -9.662 -3.325 -1.175
6 HB VAL 2 HB VAL 2 -9.093 -0.383 -1.667
7 HG11 VAL 2 1HG1 VAL 2 -8.937 -2.749 -3.534
8 HG12 VAL 2 2HG1 VAL 2 -7.570 -1.864 -2.855
9 HG13 VAL 2 3HG1 VAL 2 -8.663 -1.066 -3.984
10 HG21 VAL 2 3HG2 VAL 2 -11.309 -2.091 -2.802
11 HG22 VAL 2 1HG2 VAL 2 -10.933 -0.438 -3.299
12 HG23 VAL 2 2HG2 VAL 2 -11.493 -0.757 -1.662
13 H CYS 3 H CYS 3 -7.727 -4.254 -0.933
14 HA CYS 3 HA CYS 3 -5.749 -2.787 0.578
15 HB2 CYS 3 2HB CYS 3 -5.838 -5.676 -0.182
16 HB3 CYS 3 1HB CYS 3 -4.511 -4.939 0.686
17 H ARG 4 H ARG 4 -4.242 -1.885 -0.265
18 HA ARG 4 HA ARG 4 -3.492 -2.561 -3.038
19 HB2 ARG 4 2HB ARG 4 -4.614 -0.378 -2.877
20 HB3 ARG 4 1HB ARG 4 -3.424 0.154 -1.703
21 HG2 ARG 4 2HG ARG 4 -3.002 1.082 -3.890
22 HG3 ARG 4 1HG ARG 4 -1.681 0.038 -3.365
23 HD2 ARG 4 2HD ARG 4 -2.552 -1.778 -4.739
24 HD3 ARG 4 1HD ARG 4 -3.900 -0.761 -5.256
25 HE ARG 4 HE ARG 4 -2.093 0.727 -6.150
26 HH11 ARG 4 1HH1 ARG 4 -1.672 -2.805 -5.942
27 HH12 ARG 4 2HH1 ARG 4 -0.666 -2.909 -7.298
28 HH21 ARG 4 1HH2 ARG 4 -0.698 0.562 -8.038
29 HH22 ARG 4 2HH2 ARG 4 -0.115 -0.959 -8.543
30 H ABA 5 H ABA 5 -1.505 -3.347 -3.236
31 HA ABA 5 HA ABA 5 0.386 -2.988 -1.068
32 HB3 ABA 5 1HB ABA 5 0.551 -4.736 -3.538
33 HB2 ABA 5 2HB ABA 5 -0.026 -5.267 -1.965
34 HG1 ABA 5 3HG ABA 5 2.264 -5.987 -2.355
35 HG3 ABA 5 1HG ABA 5 2.181 -4.854 -1.005
36 HG2 ABA 5 2HG ABA 5 2.763 -4.309 -2.577
37 H VAL 6 H VAL 6 1.450 -1.166 -1.178
38 HA VAL 6 HA VAL 6 2.513 -0.392 -3.771
39 HB VAL 6 HB VAL 6 1.068 1.351 -2.778
40 HG11 VAL 6 1HG1 VAL 6 1.710 2.564 -0.748
41 HG12 VAL 6 2HG1 VAL 6 3.011 1.399 -0.476
42 HG13 VAL 6 3HG1 VAL 6 1.334 0.870 -0.426
43 HG21 VAL 6 3HG2 VAL 6 2.870 2.099 -4.202
44 HG22 VAL 6 1HG2 VAL 6 3.987 2.103 -2.837
45 HG23 VAL 6 2HG2 VAL 6 2.653 3.250 -2.883
46 H CYS 7 H CYS 7 4.701 -0.241 -4.010
47 HA CYS 7 HA CYS 7 6.176 -1.000 -1.621
48 HB2 CYS 7 2HB CYS 7 6.914 -1.646 -4.479
49 HB3 CYS 7 1HB CYS 7 7.780 -2.168 -3.043
50 H ARG 8 H ARG 8 7.944 0.128 -1.086
51 HA ARG 8 HA ARG 8 8.778 2.256 -2.923
52 HB2 ARG 8 2HB ARG 8 8.206 2.596 0.031
53 HB3 ARG 8 1HB ARG 8 9.101 3.763 -0.927
54 HG2 ARG 8 2HG ARG 8 6.228 2.947 -1.375
55 HG3 ARG 8 1HG ARG 8 6.783 4.455 -0.642
56 HD2 ARG 8 2HD ARG 8 7.954 5.017 -2.751
57 HD3 ARG 8 1HD ARG 8 7.330 3.533 -3.464
58 HE ARG 8 HE ARG 8 5.282 5.200 -2.418
59 HH11 ARG 8 1HH1 ARG 8 7.351 4.648 -5.241
60 HH12 ARG 8 2HH1 ARG 8 6.306 5.440 -6.330
61 HH21 ARG 8 1HH2 ARG 8 3.864 6.316 -3.954
62 HH22 ARG 8 2HH2 ARG 8 4.301 6.364 -5.602
63 H ARG 9 H ARG 9 10.679 1.738 -3.511
64 HA ARG 9 HA ARG 9 12.855 1.283 -3.553
65 HB2 ARG 9 2HB ARG 9 12.858 3.162 -1.804
66 HB3 ARG 9 1HB ARG 9 12.969 1.903 -0.587
67 HG2 ARG 9 2HG ARG 9 15.091 1.159 -1.557
68 HG3 ARG 9 1HG ARG 9 14.967 2.422 -2.781
69 HD2 ARG 9 2HD ARG 9 16.430 3.212 -1.070
70 HD3 ARG 9 1HD ARG 9 14.917 4.095 -0.938
71 HE ARG 9 HE ARG 9 14.985 1.806 0.751
72 HH11 ARG 9 1HH1 ARG 9 16.013 5.195 0.500
73 HH12 ARG 9 2HH1 ARG 9 16.253 5.402 2.166
74 HH21 ARG 9 1HH2 ARG 9 15.266 2.132 3.098
75 HH22 ARG 9 2HH2 ARG 9 15.787 3.638 3.675
76 H GLY 10 H GLY 10 10.932 -0.713 -3.003
77 HA2 GLY 10 2HA GLY 10 11.389 -3.039 -3.072
78 HA3 GLY 10 1HA GLY 10 12.759 -2.771 -2.006
79 H VAL 11 H VAL 11 10.597 -0.940 -0.509
80 HA VAL 11 HA VAL 11 9.939 -3.134 1.280
81 HB VAL 11 HB VAL 11 9.610 -0.142 1.678
82 HG11 VAL 11 1HG1 VAL 11 9.301 -0.684 4.045
83 HG12 VAL 11 2HG1 VAL 11 9.408 -2.405 3.666
84 HG13 VAL 11 3HG1 VAL 11 8.061 -1.446 3.048
85 HG21 VAL 11 3HG2 VAL 11 11.744 -2.012 2.701
86 HG22 VAL 11 1HG2 VAL 11 11.551 -0.323 3.169
87 HG23 VAL 11 2HG2 VAL 11 11.956 -0.737 1.501
88 H CYS 12 H CYS 12 8.063 -4.084 0.885
89 HA CYS 12 HA CYS 12 6.076 -2.479 -0.415
90 HB2 CYS 12 2HB CYS 12 6.143 -5.446 0.006
91 HB3 CYS 12 1HB CYS 12 4.855 -4.589 -0.822
92 H ARG 13 H ARG 13 4.342 -1.837 0.407
93 HA ARG 13 HA ARG 13 3.525 -2.815 3.051
94 HB2 ARG 13 2HB ARG 13 4.423 -0.600 3.369
95 HB3 ARG 13 1HB ARG 13 3.506 0.018 2.001
96 HG2 ARG 13 2HG ARG 13 2.502 0.755 4.059
97 HG3 ARG 13 1HG ARG 13 1.437 -0.362 3.211
98 HD2 ARG 13 2HD ARG 13 2.346 -2.181 4.722
99 HD3 ARG 13 1HD ARG 13 3.114 -0.890 5.651
100 HE ARG 13 HE ARG 13 0.432 -0.242 5.348
101 HH11 ARG 13 1HH1 ARG 13 2.439 -2.529 7.190
102 HH12 ARG 13 2HH1 ARG 13 1.201 -2.970 8.252
103 HH21 ARG 13 1HH2 ARG 13 -1.259 -0.810 6.845
104 HH22 ARG 13 2HH2 ARG 13 -0.955 -1.932 8.086
105 H ABA 14 H ABA 14 1.628 -3.747 3.007
106 HA ABA 14 HA ABA 14 -0.210 -3.263 0.826
107 HB3 ABA 14 1HB ABA 14 -0.438 -5.107 3.226
108 HB2 ABA 14 2HB ABA 14 0.204 -5.580 1.659
109 HG1 ABA 14 3HG ABA 14 -2.616 -4.686 2.204
110 HG3 ABA 14 1HG ABA 14 -2.083 -6.345 1.933
111 HG2 ABA 14 2HG ABA 14 -1.972 -5.161 0.632
112 H VAL 15 H VAL 15 -1.161 -1.377 1.041
113 HA VAL 15 HA VAL 15 -2.061 -0.396 3.629
114 HB VAL 15 HB VAL 15 -2.222 0.881 0.879
115 HG11 VAL 15 1HG1 VAL 15 -3.860 1.780 2.446
116 HG12 VAL 15 2HG1 VAL 15 -2.613 2.966 2.067
117 HG13 VAL 15 3HG1 VAL 15 -2.570 2.109 3.605
118 HG21 VAL 15 3HG2 VAL 15 -0.198 1.333 3.071
119 HG22 VAL 15 1HG2 VAL 15 -0.314 2.258 1.573
120 HG23 VAL 15 2HG2 VAL 15 0.099 0.542 1.526
121 H CYS 16 H CYS 16 -4.022 -1.162 4.229
122 HA CYS 16 HA CYS 16 -5.903 -1.639 2.085
123 HB2 CYS 16 2HB CYS 16 -6.071 -2.546 4.968
124 HB3 CYS 16 1HB CYS 16 -7.241 -2.928 3.713
125 H ARG 17 H ARG 17 -7.467 -0.310 1.720
126 HA ARG 17 HA ARG 17 -8.507 1.323 3.843
127 HB2 ARG 17 2HB ARG 17 -8.207 3.435 2.457
128 HB3 ARG 17 1HB ARG 17 -6.787 2.795 3.256
129 HG2 ARG 17 2HG ARG 17 -6.054 1.800 1.136
130 HG3 ARG 17 1HG ARG 17 -7.470 2.492 0.338
131 HD2 ARG 17 2HD ARG 17 -5.385 4.103 1.808
132 HD3 ARG 17 1HD ARG 17 -5.386 3.846 0.062
133 HE ARG 17 HE ARG 17 -7.801 4.795 0.412
134 HH11 ARG 17 1HH1 ARG 17 -4.795 6.017 1.857
135 HH12 ARG 17 2HH1 ARG 17 -5.243 7.645 1.791
136 HH21 ARG 17 1HH2 ARG 17 -8.429 7.068 0.303
137 HH22 ARG 17 2HH2 ARG 17 -7.348 8.260 0.849
138 H ARG 18 H ARG 18 -10.525 1.685 3.700
139 HA ARG 18 HA ARG 18 -12.642 1.516 3.144
140 HB2 ARG 18 2HB ARG 18 -12.011 3.545 1.863
141 HB3 ARG 18 1HB ARG 18 -11.704 2.546 0.454
142 HG2 ARG 18 2HG ARG 18 -13.884 3.830 0.465
143 HG3 ARG 18 1HG ARG 18 -14.018 2.101 0.153
144 HD2 ARG 18 2HD ARG 18 -15.734 3.034 1.734
145 HD3 ARG 18 1HD ARG 18 -14.803 1.677 2.365
146 HE ARG 18 HE ARG 18 -13.723 4.244 3.050
147 HH11 ARG 18 1HH1 ARG 18 -16.194 1.880 3.998
148 HH12 ARG 18 2HH1 ARG 18 -16.099 2.246 5.651
149 HH21 ARG 18 1HH2 ARG 18 -13.593 4.710 5.302
150 HH22 ARG 18 2HH2 ARG 18 -14.591 3.897 6.429
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -10.974 -1.514 3.355
2 HA2 GLY 1 2HA GLY 1 -11.199 -3.847 3.197
3 HA3 GLY 1 1HA GLY 1 -12.667 -3.612 2.266
4 H VAL 2 H VAL 2 -10.496 -1.594 0.840
5 HA VAL 2 HA VAL 2 -9.772 -3.660 -1.114
6 HB VAL 2 HB VAL 2 -9.948 -0.647 -1.467
7 HG11 VAL 2 1HG1 VAL 2 -8.308 -1.688 -2.955
8 HG12 VAL 2 2HG1 VAL 2 -9.699 -1.093 -3.853
9 HG13 VAL 2 3HG1 VAL 2 -9.536 -2.822 -3.525
10 HG21 VAL 2 3HG2 VAL 2 -11.945 -1.085 -2.830
11 HG22 VAL 2 1HG2 VAL 2 -12.168 -1.618 -1.163
12 HG23 VAL 2 2HG2 VAL 2 -11.838 -2.796 -2.434
13 H CYS 3 H CYS 3 -7.643 -4.161 -1.173
14 HA CYS 3 HA CYS 3 -5.918 -2.368 0.316
15 HB2 CYS 3 2HB CYS 3 -5.523 -5.265 -0.344
16 HB3 CYS 3 1HB CYS 3 -4.368 -4.266 0.526
17 H ARG 4 H ARG 4 -4.335 -1.396 -0.449
18 HA ARG 4 HA ARG 4 -3.478 -1.858 -3.235
19 HB2 ARG 4 2HB ARG 4 -4.622 0.292 -2.963
20 HB3 ARG 4 1HB ARG 4 -3.604 0.677 -1.593
21 HG2 ARG 4 2HG ARG 4 -2.946 1.969 -3.510
22 HG3 ARG 4 1HG ARG 4 -1.673 0.846 -3.057
23 HD2 ARG 4 2HD ARG 4 -3.655 0.129 -5.179
24 HD3 ARG 4 1HD ARG 4 -2.305 1.184 -5.569
25 HE ARG 4 HE ARG 4 -0.909 -0.746 -4.638
26 HH11 ARG 4 1HH1 ARG 4 -3.985 -1.268 -6.320
27 HH12 ARG 4 2HH1 ARG 4 -3.482 -2.712 -7.059
28 HH21 ARG 4 1HH2 ARG 4 -0.228 -2.740 -5.675
29 HH22 ARG 4 2HH2 ARG 4 -1.320 -3.566 -6.667
30 H ABA 5 H ABA 5 -1.537 -2.692 -3.263
31 HA ABA 5 HA ABA 5 0.298 -2.164 -1.060
32 HB3 ABA 5 1HB ABA 5 0.513 -4.182 -3.308
33 HB2 ABA 5 2HB ABA 5 -0.114 -4.532 -1.701
34 HG1 ABA 5 3HG ABA 5 2.064 -3.983 -0.738
35 HG3 ABA 5 1HG ABA 5 2.689 -3.665 -2.356
36 HG2 ABA 5 2HG ABA 5 2.166 -5.294 -1.913
37 H VAL 6 H VAL 6 1.767 -0.718 -1.304
38 HA VAL 6 HA VAL 6 2.663 0.076 -3.986
39 HB VAL 6 HB VAL 6 2.621 1.752 -1.442
40 HG11 VAL 6 1HG1 VAL 6 3.353 2.528 -4.264
41 HG12 VAL 6 2HG1 VAL 6 4.467 2.357 -2.908
42 HG13 VAL 6 3HG1 VAL 6 3.248 3.635 -2.896
43 HG21 VAL 6 3HG2 VAL 6 0.865 1.955 -3.892
44 HG22 VAL 6 1HG2 VAL 6 0.884 3.102 -2.550
45 HG23 VAL 6 2HG2 VAL 6 0.361 1.439 -2.283
46 H CYS 7 H CYS 7 4.748 -0.456 -4.324
47 HA CYS 7 HA CYS 7 6.315 -1.185 -1.965
48 HB2 CYS 7 2HB CYS 7 6.800 -1.996 -4.839
49 HB3 CYS 7 1HB CYS 7 7.658 -2.594 -3.421
50 H ARG 8 H ARG 8 8.022 -0.170 -1.338
51 HA ARG 8 HA ARG 8 9.298 1.707 -3.179
52 HB2 ARG 8 2HB ARG 8 8.387 2.400 -0.374
53 HB3 ARG 8 1HB ARG 8 9.462 3.384 -1.347
54 HG2 ARG 8 2HG ARG 8 6.580 2.757 -1.938
55 HG3 ARG 8 1HG ARG 8 7.226 4.302 -1.365
56 HD2 ARG 8 2HD ARG 8 7.746 2.967 -4.025
57 HD3 ARG 8 1HD ARG 8 6.822 4.437 -3.740
58 HE ARG 8 HE ARG 8 9.331 4.954 -2.749
59 HH11 ARG 8 1HH1 ARG 8 8.017 4.029 -5.905
60 HH12 ARG 8 2HH1 ARG 8 9.239 4.821 -6.790
61 HH21 ARG 8 1HH2 ARG 8 11.004 5.992 -3.977
62 HH22 ARG 8 2HH2 ARG 8 10.956 5.952 -5.691
63 H ARG 9 H ARG 9 11.378 1.444 -3.143
64 HA ARG 9 HA ARG 9 13.502 0.939 -2.562
65 HB2 ARG 9 2HB ARG 9 12.937 2.662 -0.772
66 HB3 ARG 9 1HB ARG 9 12.580 1.330 0.304
67 HG2 ARG 9 2HG ARG 9 14.776 2.252 0.773
68 HG3 ARG 9 1HG ARG 9 14.918 0.600 0.180
69 HD2 ARG 9 2HD ARG 9 16.598 2.130 -0.793
70 HD3 ARG 9 1HD ARG 9 15.565 1.389 -2.016
71 HE ARG 9 HE ARG 9 14.377 3.788 -1.407
72 HH11 ARG 9 1HH1 ARG 9 17.633 2.916 -2.516
73 HH12 ARG 9 2HH1 ARG 9 17.811 4.298 -3.481
74 HH21 ARG 9 1HH2 ARG 9 14.622 5.639 -2.758
75 HH22 ARG 9 2HH2 ARG 9 16.051 5.900 -3.641
76 H GLY 10 H GLY 10 11.605 -1.121 -2.867
77 HA2 GLY 10 2HA GLY 10 11.744 -3.427 -2.919
78 HA3 GLY 10 1HA GLY 10 13.144 -3.336 -1.865
79 H VAL 11 H VAL 11 10.436 -1.620 -0.722
80 HA VAL 11 HA VAL 11 9.721 -3.853 1.029
81 HB VAL 11 HB VAL 11 9.845 -0.896 1.728
82 HG11 VAL 11 1HG1 VAL 11 9.133 -3.249 3.473
83 HG12 VAL 11 2HG1 VAL 11 8.007 -2.032 2.879
84 HG13 VAL 11 3HG1 VAL 11 9.286 -1.574 4.009
85 HG21 VAL 11 3HG2 VAL 11 11.558 -3.196 2.670
86 HG22 VAL 11 1HG2 VAL 11 11.627 -1.548 3.294
87 HG23 VAL 11 2HG2 VAL 11 12.065 -1.879 1.614
88 H CYS 12 H CYS 12 7.688 -4.420 0.708
89 HA CYS 12 HA CYS 12 5.996 -2.558 -0.684
90 HB2 CYS 12 2HB CYS 12 5.588 -5.437 -0.088
91 HB3 CYS 12 1HB CYS 12 4.442 -4.441 -0.958
92 H ARG 13 H ARG 13 4.707 -1.414 0.147
93 HA ARG 13 HA ARG 13 3.835 -1.780 2.913
94 HB2 ARG 13 2HB ARG 13 4.882 0.332 2.507
95 HB3 ARG 13 1HB ARG 13 3.988 0.575 1.029
96 HG2 ARG 13 2HG ARG 13 3.284 2.062 2.805
97 HG3 ARG 13 1HG ARG 13 1.979 1.022 2.262
98 HD2 ARG 13 2HD ARG 13 2.079 -0.295 4.223
99 HD3 ARG 13 1HD ARG 13 3.638 0.388 4.693
100 HE ARG 13 HE ARG 13 2.416 2.539 4.930
101 HH11 ARG 13 1HH1 ARG 13 0.466 -0.427 5.228
102 HH12 ARG 13 2HH1 ARG 13 -0.493 0.205 6.463
103 HH21 ARG 13 1HH2 ARG 13 1.030 3.385 6.525
104 HH22 ARG 13 2HH2 ARG 13 -0.193 2.436 7.229
105 H ABA 14 H ABA 14 1.897 -2.597 3.184
106 HA ABA 14 HA ABA 14 -0.020 -2.503 1.000
107 HB3 ABA 14 1HB ABA 14 0.066 -4.211 3.499
108 HB2 ABA 14 2HB ABA 14 0.530 -4.732 1.883
109 HG1 ABA 14 3HG ABA 14 -1.759 -4.455 1.111
110 HG3 ABA 14 1HG ABA 14 -2.233 -3.885 2.711
111 HG2 ABA 14 2HG ABA 14 -1.680 -5.542 2.499
112 H VAL 15 H VAL 15 -1.464 -0.996 1.129
113 HA VAL 15 HA VAL 15 -2.311 0.008 3.749
114 HB VAL 15 HB VAL 15 -2.479 1.329 1.007
115 HG11 VAL 15 1HG1 VAL 15 -3.110 3.356 2.216
116 HG12 VAL 15 2HG1 VAL 15 -3.079 2.459 3.732
117 HG13 VAL 15 3HG1 VAL 15 -4.262 2.046 2.491
118 HG21 VAL 15 3HG2 VAL 15 -0.757 2.895 1.832
119 HG22 VAL 15 1HG2 VAL 15 -0.166 1.236 1.725
120 HG23 VAL 15 2HG2 VAL 15 -0.593 1.916 3.290
121 H CYS 16 H CYS 16 -4.568 -0.132 4.099
122 HA CYS 16 HA CYS 16 -6.054 -1.151 1.825
123 HB2 CYS 16 2HB CYS 16 -6.399 -2.080 4.687
124 HB3 CYS 16 1HB CYS 16 -7.421 -2.574 3.338
125 H ARG 17 H ARG 17 -8.010 -0.237 1.440
126 HA ARG 17 HA ARG 17 -8.957 1.745 3.345
127 HB2 ARG 17 2HB ARG 17 -8.475 2.180 0.398
128 HB3 ARG 17 1HB ARG 17 -9.412 3.260 1.417
129 HG2 ARG 17 2HG ARG 17 -7.460 3.707 2.778
130 HG3 ARG 17 1HG ARG 17 -6.515 2.577 1.813
131 HD2 ARG 17 2HD ARG 17 -6.805 3.962 -0.146
132 HD3 ARG 17 1HD ARG 17 -7.857 5.055 0.757
133 HE ARG 17 HE ARG 17 -5.468 4.838 2.126
134 HH11 ARG 17 1HH1 ARG 17 -6.563 6.148 -0.986
135 HH12 ARG 17 2HH1 ARG 17 -5.409 7.386 -1.016
136 HH21 ARG 17 1HH2 ARG 17 -3.886 6.524 2.074
137 HH22 ARG 17 2HH2 ARG 17 -3.834 7.606 0.771
138 H ARG 18 H ARG 18 -10.818 1.085 3.855
139 HA ARG 18 HA ARG 18 -12.947 0.395 3.856
140 HB2 ARG 18 2HB ARG 18 -13.020 2.364 2.194
141 HB3 ARG 18 1HB ARG 18 -13.123 1.145 0.934
142 HG2 ARG 18 2HG ARG 18 -15.177 0.290 1.904
143 HG3 ARG 18 1HG ARG 18 -15.059 1.459 3.214
144 HD2 ARG 18 2HD ARG 18 -15.119 3.263 1.447
145 HD3 ARG 18 1HD ARG 18 -15.526 1.993 0.288
146 HE ARG 18 HE ARG 18 -17.216 1.776 2.480
147 HH11 ARG 18 1HH1 ARG 18 -16.743 3.951 -0.303
148 HH12 ARG 18 2HH1 ARG 18 -18.316 4.572 -0.242
149 HH21 ARG 18 1HH2 ARG 18 -19.342 2.651 2.570
150 HH22 ARG 18 2HH2 ARG 18 -19.855 3.810 1.438
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.428 -1.061 2.883
2 HA2 GLY 1 2HA GLY 1 -11.931 -3.286 2.600
3 HA3 GLY 1 1HA GLY 1 -13.191 -2.813 1.475
4 H VAL 2 H VAL 2 -10.192 -1.416 0.660
5 HA VAL 2 HA VAL 2 -9.607 -3.640 -1.174
6 HB VAL 2 HB VAL 2 -9.405 -0.673 -1.814
7 HG11 VAL 2 1HG1 VAL 2 -8.869 -3.069 -3.570
8 HG12 VAL 2 2HG1 VAL 2 -7.663 -1.957 -2.924
9 HG13 VAL 2 3HG1 VAL 2 -8.853 -1.386 -4.098
10 HG21 VAL 2 3HG2 VAL 2 -11.730 -1.391 -1.816
11 HG22 VAL 2 1HG2 VAL 2 -11.326 -2.742 -2.876
12 HG23 VAL 2 2HG2 VAL 2 -11.180 -1.089 -3.468
13 H CYS 3 H CYS 3 -7.526 -4.310 -1.024
14 HA CYS 3 HA CYS 3 -5.786 -2.631 0.560
15 HB2 CYS 3 2HB CYS 3 -5.452 -5.510 -0.189
16 HB3 CYS 3 1HB CYS 3 -4.369 -4.593 0.842
17 H ARG 4 H ARG 4 -4.282 -1.612 -0.108
18 HA ARG 4 HA ARG 4 -3.532 -1.805 -2.936
19 HB2 ARG 4 2HB ARG 4 -4.411 0.358 -2.197
20 HB3 ARG 4 1HB ARG 4 -3.148 0.457 -0.979
21 HG2 ARG 4 2HG ARG 4 -2.612 1.856 -2.879
22 HG3 ARG 4 1HG ARG 4 -1.458 0.538 -2.705
23 HD2 ARG 4 2HD ARG 4 -2.173 0.943 -5.067
24 HD3 ARG 4 1HD ARG 4 -2.471 -0.693 -4.475
25 HE ARG 4 HE ARG 4 -4.698 1.062 -4.133
26 HH11 ARG 4 1HH1 ARG 4 -3.102 -1.074 -6.429
27 HH12 ARG 4 2HH1 ARG 4 -4.507 -1.427 -7.321
28 HH21 ARG 4 1HH2 ARG 4 -6.611 0.585 -5.284
29 HH22 ARG 4 2HH2 ARG 4 -6.590 -0.436 -6.656
30 H ABA 5 H ABA 5 -1.573 -2.514 -3.464
31 HA ABA 5 HA ABA 5 0.399 -2.931 -1.383
32 HB3 ABA 5 1HB ABA 5 0.446 -3.675 -4.326
33 HB2 ABA 5 2HB ABA 5 -0.078 -4.737 -3.026
34 HG1 ABA 5 3HG ABA 5 2.697 -3.637 -3.387
35 HG3 ABA 5 1HG ABA 5 2.171 -5.283 -3.733
36 HG2 ABA 5 2HG ABA 5 2.172 -4.687 -2.074
37 H VAL 6 H VAL 6 1.541 -1.184 -0.901
38 HA VAL 6 HA VAL 6 2.389 0.647 -3.028
39 HB VAL 6 HB VAL 6 2.390 1.041 -0.015
40 HG11 VAL 6 1HG1 VAL 6 4.103 2.365 -1.113
41 HG12 VAL 6 2HG1 VAL 6 2.809 3.408 -0.519
42 HG13 VAL 6 3HG1 VAL 6 2.905 3.012 -2.234
43 HG21 VAL 6 3HG2 VAL 6 0.489 2.145 -2.080
44 HG22 VAL 6 1HG2 VAL 6 0.506 2.582 -0.371
45 HG23 VAL 6 2HG2 VAL 6 0.111 0.934 -0.855
46 H CYS 7 H CYS 7 4.331 -0.066 -3.755
47 HA CYS 7 HA CYS 7 6.164 -1.028 -1.735
48 HB2 CYS 7 2HB CYS 7 6.205 -1.517 -4.722
49 HB3 CYS 7 1HB CYS 7 7.426 -2.094 -3.595
50 H ARG 8 H ARG 8 8.096 -0.096 -1.457
51 HA ARG 8 HA ARG 8 8.975 1.984 -3.269
52 HB2 ARG 8 2HB ARG 8 9.366 3.493 -1.268
53 HB3 ARG 8 1HB ARG 8 7.697 3.328 -1.803
54 HG2 ARG 8 2HG ARG 8 7.277 1.773 0.036
55 HG3 ARG 8 1HG ARG 8 8.961 1.907 0.543
56 HD2 ARG 8 2HD ARG 8 7.423 3.317 1.887
57 HD3 ARG 8 1HD ARG 8 8.668 4.241 1.057
58 HE ARG 8 HE ARG 8 6.969 4.793 -0.618
59 HH11 ARG 8 1HH1 ARG 8 5.753 3.714 2.552
60 HH12 ARG 8 2HH1 ARG 8 4.355 4.664 2.494
61 HH21 ARG 8 1HH2 ARG 8 5.064 6.113 -0.683
62 HH22 ARG 8 2HH2 ARG 8 3.966 6.096 0.611
63 H ARG 9 H ARG 9 11.000 1.568 -3.691
64 HA ARG 9 HA ARG 9 13.178 0.987 -3.544
65 HB2 ARG 9 2HB ARG 9 13.003 2.780 -1.744
66 HB3 ARG 9 1HB ARG 9 12.909 1.480 -0.570
67 HG2 ARG 9 2HG ARG 9 15.138 0.710 -1.327
68 HG3 ARG 9 1HG ARG 9 15.213 2.114 -2.396
69 HD2 ARG 9 2HD ARG 9 16.391 2.684 -0.417
70 HD3 ARG 9 1HD ARG 9 14.861 3.553 -0.395
71 HE ARG 9 HE ARG 9 15.389 1.098 1.138
72 HH11 ARG 9 1HH1 ARG 9 13.623 4.193 0.850
73 HH12 ARG 9 2HH1 ARG 9 13.223 4.242 2.501
74 HH21 ARG 9 1HH2 ARG 9 14.773 1.216 3.420
75 HH22 ARG 9 2HH2 ARG 9 13.876 2.559 3.956
76 H GLY 10 H GLY 10 11.296 -1.093 -3.428
77 HA2 GLY 10 2HA GLY 10 11.390 -3.402 -3.264
78 HA3 GLY 10 1HA GLY 10 12.951 -3.240 -2.470
79 H VAL 11 H VAL 11 10.614 -1.334 -0.971
80 HA VAL 11 HA VAL 11 10.129 -3.386 1.073
81 HB VAL 11 HB VAL 11 10.027 -0.354 1.334
82 HG11 VAL 11 1HG1 VAL 11 8.522 -1.476 2.879
83 HG12 VAL 11 2HG1 VAL 11 9.879 -0.750 3.741
84 HG13 VAL 11 3HG1 VAL 11 9.847 -2.490 3.451
85 HG21 VAL 11 3HG2 VAL 11 12.078 -0.545 2.678
86 HG22 VAL 11 1HG2 VAL 11 12.325 -1.093 1.019
87 HG23 VAL 11 2HG2 VAL 11 12.141 -2.270 2.318
88 H CYS 12 H CYS 12 8.100 -4.170 0.856
89 HA CYS 12 HA CYS 12 6.163 -2.379 -0.337
90 HB2 CYS 12 2HB CYS 12 6.072 -5.366 -0.098
91 HB3 CYS 12 1HB CYS 12 4.776 -4.381 -0.753
92 H ARG 13 H ARG 13 4.554 -1.676 0.566
93 HA ARG 13 HA ARG 13 3.777 -2.639 3.232
94 HB2 ARG 13 2HB ARG 13 4.740 -0.426 3.416
95 HB3 ARG 13 1HB ARG 13 3.755 0.162 2.087
96 HG2 ARG 13 2HG ARG 13 2.928 0.961 4.204
97 HG3 ARG 13 1HG ARG 13 1.755 -0.102 3.421
98 HD2 ARG 13 2HD ARG 13 1.858 -0.591 5.791
99 HD3 ARG 13 1HD ARG 13 2.496 -1.949 4.872
100 HE ARG 13 HE ARG 13 4.414 -0.009 5.799
101 HH11 ARG 13 1HH1 ARG 13 2.929 -3.189 6.363
102 HH12 ARG 13 2HH1 ARG 13 4.046 -3.627 7.574
103 HH21 ARG 13 1HH2 ARG 13 5.970 -0.674 7.412
104 HH22 ARG 13 2HH2 ARG 13 5.773 -2.182 8.200
105 H ABA 14 H ABA 14 1.703 -3.299 3.396
106 HA ABA 14 HA ABA 14 -0.061 -2.798 1.123
107 HB3 ABA 14 1HB ABA 14 -0.243 -4.897 3.304
108 HB2 ABA 14 2HB ABA 14 0.387 -5.182 1.691
109 HG1 ABA 14 3HG ABA 14 -1.804 -4.680 0.737
110 HG3 ABA 14 1HG ABA 14 -2.442 -4.397 2.358
111 HG2 ABA 14 2HG ABA 14 -1.886 -6.005 1.895
112 H VAL 15 H VAL 15 -1.409 -1.179 1.450
113 HA VAL 15 HA VAL 15 -2.416 -0.746 4.159
114 HB VAL 15 HB VAL 15 -2.959 1.593 3.459
115 HG11 VAL 15 1HG1 VAL 15 -0.679 2.465 3.594
116 HG12 VAL 15 2HG1 VAL 15 -0.052 0.870 3.199
117 HG13 VAL 15 3HG1 VAL 15 -0.920 1.121 4.716
118 HG21 VAL 15 3HG2 VAL 15 -1.860 2.550 1.463
119 HG22 VAL 15 1HG2 VAL 15 -3.044 1.310 1.038
120 HG23 VAL 15 2HG2 VAL 15 -1.324 0.931 1.004
121 H CYS 16 H CYS 16 -4.510 -1.061 4.484
122 HA CYS 16 HA CYS 16 -6.084 -1.551 2.101
123 HB2 CYS 16 2HB CYS 16 -6.581 -2.530 4.923
124 HB3 CYS 16 1HB CYS 16 -7.552 -2.931 3.510
125 H ARG 17 H ARG 17 -7.709 -0.309 1.578
126 HA ARG 17 HA ARG 17 -8.772 1.536 3.572
127 HB2 ARG 17 2HB ARG 17 -7.777 2.348 0.835
128 HB3 ARG 17 1HB ARG 17 -8.588 3.393 1.986
129 HG2 ARG 17 2HG ARG 17 -6.688 3.169 3.518
130 HG3 ARG 17 1HG ARG 17 -5.894 2.101 2.361
131 HD2 ARG 17 2HD ARG 17 -5.914 3.896 0.706
132 HD3 ARG 17 1HD ARG 17 -6.686 4.958 1.877
133 HE ARG 17 HE ARG 17 -4.374 4.009 3.044
134 HH11 ARG 17 1HH1 ARG 17 -5.318 6.048 0.309
135 HH12 ARG 17 2HH1 ARG 17 -3.881 6.950 0.265
136 HH21 ARG 17 1HH2 ARG 17 -2.319 5.261 2.995
137 HH22 ARG 17 2HH2 ARG 17 -2.165 6.494 1.847
138 H ARG 18 H ARG 18 -10.874 1.535 3.435
139 HA ARG 18 HA ARG 18 -13.017 1.243 2.793
140 HB2 ARG 18 2HB ARG 18 -12.298 3.145 1.299
141 HB3 ARG 18 1HB ARG 18 -12.003 1.973 0.029
142 HG2 ARG 18 2HG ARG 18 -14.368 1.391 -0.000
143 HG3 ARG 18 1HG ARG 18 -14.678 2.525 1.310
144 HD2 ARG 18 2HD ARG 18 -15.268 3.543 -0.790
145 HD3 ARG 18 1HD ARG 18 -13.861 4.357 -0.113
146 HE ARG 18 HE ARG 18 -13.388 2.251 -2.069
147 HH11 ARG 18 1HH1 ARG 18 -13.508 5.757 -1.428
148 HH12 ARG 18 2HH1 ARG 18 -12.681 6.177 -2.842
149 HH21 ARG 18 1HH2 ARG 18 -12.250 2.842 -3.990
150 HH22 ARG 18 2HH2 ARG 18 -11.924 4.482 -4.332
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -11.437 -1.065 2.825
2 HA2 GLY 1 2HA GLY 1 -11.935 -3.371 2.788
3 HA3 GLY 1 1HA GLY 1 -13.176 -3.043 1.591
4 H VAL 2 H VAL 2 -10.405 -1.464 0.592
5 HA VAL 2 HA VAL 2 -9.651 -3.786 -1.026
6 HB VAL 2 HB VAL 2 -9.616 -0.869 -1.887
7 HG11 VAL 2 1HG1 VAL 2 -9.089 -1.762 -4.122
8 HG12 VAL 2 2HG1 VAL 2 -8.992 -3.383 -3.437
9 HG13 VAL 2 3HG1 VAL 2 -7.837 -2.144 -2.940
10 HG21 VAL 2 3HG2 VAL 2 -11.411 -1.494 -3.450
11 HG22 VAL 2 1HG2 VAL 2 -11.903 -1.697 -1.768
12 HG23 VAL 2 2HG2 VAL 2 -11.463 -3.104 -2.736
13 H CYS 3 H CYS 3 -7.591 -4.338 -0.889
14 HA CYS 3 HA CYS 3 -5.889 -2.589 0.646
15 HB2 CYS 3 2HB CYS 3 -5.484 -5.443 -0.157
16 HB3 CYS 3 1HB CYS 3 -4.387 -4.509 0.849
17 H ARG 4 H ARG 4 -4.311 -1.553 -0.010
18 HA ARG 4 HA ARG 4 -3.502 -1.809 -2.832
19 HB2 ARG 4 2HB ARG 4 -4.610 0.327 -2.322
20 HB3 ARG 4 1HB ARG 4 -3.510 0.586 -0.980
21 HG2 ARG 4 2HG ARG 4 -2.877 1.967 -2.837
22 HG3 ARG 4 1HG ARG 4 -1.650 0.743 -2.531
23 HD2 ARG 4 2HD ARG 4 -2.573 -0.614 -4.367
24 HD3 ARG 4 1HD ARG 4 -3.764 0.652 -4.683
25 HE ARG 4 HE ARG 4 -1.456 1.987 -4.840
26 HH11 ARG 4 1HH1 ARG 4 -2.514 -1.018 -6.373
27 HH12 ARG 4 2HH1 ARG 4 -1.496 -0.825 -7.725
28 HH21 ARG 4 1HH2 ARG 4 -0.096 2.224 -6.662
29 HH22 ARG 4 2HH2 ARG 4 -0.062 1.032 -7.890
30 H ABA 5 H ABA 5 -1.477 -2.620 -3.042
31 HA ABA 5 HA ABA 5 0.372 -2.213 -0.812
32 HB3 ABA 5 1HB ABA 5 0.432 -4.362 -2.942
33 HB2 ABA 5 2HB ABA 5 -0.162 -4.594 -1.299
34 HG1 ABA 5 3HG ABA 5 2.081 -5.481 -1.549
35 HG3 ABA 5 1HG ABA 5 2.068 -4.118 -0.430
36 HG2 ABA 5 2HG ABA 5 2.658 -3.900 -2.078
37 H VAL 6 H VAL 6 1.652 -0.627 -1.168
38 HA VAL 6 HA VAL 6 2.592 -0.111 -3.888
39 HB VAL 6 HB VAL 6 1.401 1.801 -2.863
40 HG11 VAL 6 1HG1 VAL 6 2.320 3.018 -0.940
41 HG12 VAL 6 2HG1 VAL 6 3.507 1.738 -0.715
42 HG13 VAL 6 3HG1 VAL 6 1.789 1.389 -0.517
43 HG21 VAL 6 3HG2 VAL 6 4.365 2.305 -3.139
44 HG22 VAL 6 1HG2 VAL 6 3.112 3.548 -3.172
45 HG23 VAL 6 2HG2 VAL 6 3.172 2.321 -4.438
46 H CYS 7 H CYS 7 4.821 -0.091 -4.255
47 HA CYS 7 HA CYS 7 6.316 -1.045 -1.955
48 HB2 CYS 7 2HB CYS 7 6.820 -1.703 -4.862
49 HB3 CYS 7 1HB CYS 7 7.702 -2.348 -3.478
50 H ARG 8 H ARG 8 8.111 -0.054 -1.359
51 HA ARG 8 HA ARG 8 9.240 2.043 -3.086
52 HB2 ARG 8 2HB ARG 8 8.609 2.340 -0.140
53 HB3 ARG 8 1HB ARG 8 9.381 3.535 -1.158
54 HG2 ARG 8 2HG ARG 8 7.365 3.865 -2.409
55 HG3 ARG 8 1HG ARG 8 6.576 2.536 -1.555
56 HD2 ARG 8 2HD ARG 8 7.557 5.110 -0.322
57 HD3 ARG 8 1HD ARG 8 5.878 4.692 -0.664
58 HE ARG 8 HE ARG 8 7.091 2.730 0.987
59 HH11 ARG 8 1HH1 ARG 8 5.743 6.014 1.157
60 HH12 ARG 8 2HH1 ARG 8 5.332 5.888 2.805
61 HH21 ARG 8 1HH2 ARG 8 6.498 2.590 3.248
62 HH22 ARG 8 2HH2 ARG 8 5.765 3.939 4.003
63 H ARG 9 H ARG 9 11.373 1.760 -3.197
64 HA ARG 9 HA ARG 9 13.503 1.100 -2.795
65 HB2 ARG 9 2HB ARG 9 13.202 2.683 -0.873
66 HB3 ARG 9 1HB ARG 9 12.690 1.335 0.125
67 HG2 ARG 9 2HG ARG 9 14.933 0.326 -0.191
68 HG3 ARG 9 1HG ARG 9 15.419 1.778 -1.071
69 HD2 ARG 9 2HD ARG 9 15.009 3.133 0.884
70 HD3 ARG 9 1HD ARG 9 14.401 1.728 1.760
71 HE ARG 9 HE ARG 9 17.009 1.255 0.806
72 HH11 ARG 9 1HH1 ARG 9 15.274 3.012 3.344
73 HH12 ARG 9 2HH1 ARG 9 16.598 3.040 4.418
74 HH21 ARG 9 1HH2 ARG 9 18.819 1.266 2.307
75 HH22 ARG 9 2HH2 ARG 9 18.644 2.014 3.825
76 H GLY 10 H GLY 10 11.610 -0.925 -3.267
77 HA2 GLY 10 2HA GLY 10 11.630 -3.230 -3.398
78 HA3 GLY 10 1HA GLY 10 13.110 -3.216 -2.452
79 H VAL 11 H VAL 11 10.552 -1.523 -0.991
80 HA VAL 11 HA VAL 11 9.947 -3.811 0.749
81 HB VAL 11 HB VAL 11 9.966 -0.863 1.470
82 HG11 VAL 11 1HG1 VAL 11 9.614 -3.296 3.207
83 HG12 VAL 11 2HG1 VAL 11 8.362 -2.137 2.775
84 HG13 VAL 11 3HG1 VAL 11 9.716 -1.636 3.788
85 HG21 VAL 11 3HG2 VAL 11 11.953 -1.337 2.823
86 HG22 VAL 11 1HG2 VAL 11 12.244 -1.650 1.110
87 HG23 VAL 11 2HG2 VAL 11 11.965 -2.995 2.217
88 H CYS 12 H CYS 12 7.895 -4.419 0.462
89 HA CYS 12 HA CYS 12 6.111 -2.473 -0.672
90 HB2 CYS 12 2HB CYS 12 5.738 -5.422 -0.292
91 HB3 CYS 12 1HB CYS 12 4.572 -4.358 -1.063
92 H ARG 13 H ARG 13 4.556 -1.569 0.233
93 HA ARG 13 HA ARG 13 3.875 -2.244 3.022
94 HB2 ARG 13 2HB ARG 13 5.044 -0.068 2.764
95 HB3 ARG 13 1HB ARG 13 3.818 0.453 1.631
96 HG2 ARG 13 2HG ARG 13 3.502 1.470 3.794
97 HG3 ARG 13 1HG ARG 13 2.143 0.429 3.372
98 HD2 ARG 13 2HD ARG 13 2.984 -1.316 4.807
99 HD3 ARG 13 1HD ARG 13 4.429 -0.373 5.184
100 HE ARG 13 HE ARG 13 2.684 1.282 6.064
101 HH11 ARG 13 1HH1 ARG 13 2.368 -2.269 6.328
102 HH12 ARG 13 2HH1 ARG 13 1.530 -2.217 7.796
103 HH21 ARG 13 1HH2 ARG 13 1.532 1.300 8.170
104 HH22 ARG 13 2HH2 ARG 13 1.054 -0.181 8.844
105 H ABA 14 H ABA 14 1.828 -2.959 3.268
106 HA ABA 14 HA ABA 14 -0.079 -2.434 1.121
107 HB3 ABA 14 1HB ABA 14 -0.079 -4.633 3.198
108 HB2 ABA 14 2HB ABA 14 0.466 -4.813 1.536
109 HG1 ABA 14 3HG ABA 14 -1.760 -5.718 1.819
110 HG3 ABA 14 1HG ABA 14 -1.792 -4.326 0.738
111 HG2 ABA 14 2HG ABA 14 -2.340 -4.158 2.407
112 H VAL 15 H VAL 15 -1.565 -1.035 1.503
113 HA VAL 15 HA VAL 15 -2.462 -0.578 4.261
114 HB VAL 15 HB VAL 15 -2.372 1.440 1.985
115 HG11 VAL 15 1HG1 VAL 15 -2.956 3.087 3.695
116 HG12 VAL 15 2HG1 VAL 15 -3.097 1.788 4.885
117 HG13 VAL 15 3HG1 VAL 15 -4.203 1.849 3.514
118 HG21 VAL 15 3HG2 VAL 15 -0.625 1.270 4.444
119 HG22 VAL 15 1HG2 VAL 15 -0.602 2.572 3.258
120 HG23 VAL 15 2HG2 VAL 15 -0.114 0.945 2.787
121 H CYS 16 H CYS 16 -4.559 -1.035 4.519
122 HA CYS 16 HA CYS 16 -6.143 -1.432 2.111
123 HB2 CYS 16 2HB CYS 16 -6.695 -2.463 4.900
124 HB3 CYS 16 1HB CYS 16 -7.585 -2.882 3.436
125 H ARG 17 H ARG 17 -7.945 -0.379 1.647
126 HA ARG 17 HA ARG 17 -9.073 1.371 3.627
127 HB2 ARG 17 2HB ARG 17 -8.895 3.346 2.112
128 HB3 ARG 17 1HB ARG 17 -7.355 2.804 2.744
129 HG2 ARG 17 2HG ARG 17 -6.857 1.685 0.632
130 HG3 ARG 17 1HG ARG 17 -8.415 2.196 -0.009
131 HD2 ARG 17 2HD ARG 17 -6.588 3.632 -0.784
132 HD3 ARG 17 1HD ARG 17 -7.763 4.522 0.171
133 HE ARG 17 HE ARG 17 -6.137 4.203 2.061
134 HH11 ARG 17 1HH1 ARG 17 -4.916 4.207 -1.277
135 HH12 ARG 17 2HH1 ARG 17 -3.507 5.086 -0.883
136 HH21 ARG 17 1HH2 ARG 17 -4.176 5.359 2.571
137 HH22 ARG 17 2HH2 ARG 17 -3.073 5.747 1.338
138 H ARG 18 H ARG 18 -11.166 1.352 3.440
139 HA ARG 18 HA ARG 18 -13.268 1.130 2.722
140 HB2 ARG 18 2HB ARG 18 -12.505 2.880 1.065
141 HB3 ARG 18 1HB ARG 18 -12.183 1.591 -0.070
142 HG2 ARG 18 2HG ARG 18 -14.574 0.998 -0.046
143 HG3 ARG 18 1HG ARG 18 -14.873 2.353 1.049
144 HD2 ARG 18 2HD ARG 18 -14.009 3.899 -0.614
145 HD3 ARG 18 1HD ARG 18 -13.671 2.553 -1.699
146 HE ARG 18 HE ARG 18 -16.404 2.771 -0.837
147 HH11 ARG 18 1HH1 ARG 18 -14.031 3.583 -3.312
148 HH12 ARG 18 2HH1 ARG 18 -15.166 3.997 -4.506
149 HH21 ARG 18 1HH2 ARG 18 -18.000 3.379 -2.484
150 HH22 ARG 18 2HH2 ARG 18 -17.472 3.908 -4.009
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -11.234 -0.606 2.948
2 HA2 GLY 1 2HA GLY 1 -11.838 -2.851 2.721
3 HA3 GLY 1 1HA GLY 1 -13.080 -2.368 1.581
4 H VAL 2 H VAL 2 -10.175 -0.969 0.674
5 HA VAL 2 HA VAL 2 -9.703 -3.161 -1.211
6 HB VAL 2 HB VAL 2 -9.166 -0.211 -1.639
7 HG11 VAL 2 1HG1 VAL 2 -8.989 -2.536 -3.553
8 HG12 VAL 2 2HG1 VAL 2 -7.636 -1.625 -2.882
9 HG13 VAL 2 3HG1 VAL 2 -8.768 -0.841 -3.985
10 HG21 VAL 2 3HG2 VAL 2 -11.034 -0.235 -3.234
11 HG22 VAL 2 1HG2 VAL 2 -11.578 -0.638 -1.608
12 HG23 VAL 2 2HG2 VAL 2 -11.372 -1.912 -2.814
13 H CYS 3 H CYS 3 -7.833 -4.135 -0.860
14 HA CYS 3 HA CYS 3 -5.819 -2.691 0.607
15 HB2 CYS 3 2HB CYS 3 -6.002 -5.592 -0.098
16 HB3 CYS 3 1HB CYS 3 -4.669 -4.876 0.788
17 H ARG 4 H ARG 4 -4.144 -1.950 -0.178
18 HA ARG 4 HA ARG 4 -3.415 -2.714 -2.914
19 HB2 ARG 4 2HB ARG 4 -4.448 -0.498 -2.948
20 HB3 ARG 4 1HB ARG 4 -3.353 0.046 -1.686
21 HG2 ARG 4 2HG ARG 4 -2.662 0.892 -3.829
22 HG3 ARG 4 1HG ARG 4 -1.462 -0.228 -3.181
23 HD2 ARG 4 2HD ARG 4 -2.452 -2.013 -4.607
24 HD3 ARG 4 1HD ARG 4 -3.518 -0.795 -5.313
25 HE ARG 4 HE ARG 4 -0.820 -0.011 -5.492
26 HH11 ARG 4 1HH1 ARG 4 -3.247 -2.083 -7.003
27 HH12 ARG 4 2HH1 ARG 4 -2.379 -2.287 -8.450
28 HH21 ARG 4 1HH2 ARG 4 0.390 -0.316 -7.553
29 HH22 ARG 4 2HH2 ARG 4 -0.318 -1.281 -8.753
30 H ABA 5 H ABA 5 -1.443 -3.539 -3.001
31 HA ABA 5 HA ABA 5 0.384 -2.940 -0.834
32 HB3 ABA 5 1HB ABA 5 0.697 -4.929 -3.089
33 HB2 ABA 5 2HB ABA 5 0.045 -5.325 -1.501
34 HG1 ABA 5 3HG ABA 5 2.180 -4.667 -0.485
35 HG3 ABA 5 1HG ABA 5 2.824 -4.344 -2.092
36 HG2 ABA 5 2HG ABA 5 2.362 -5.988 -1.636
37 H VAL 6 H VAL 6 1.448 -1.228 -1.065
38 HA VAL 6 HA VAL 6 2.251 -0.289 -3.716
39 HB VAL 6 HB VAL 6 2.432 1.148 -1.052
40 HG11 VAL 6 1HG1 VAL 6 3.963 2.001 -2.720
41 HG12 VAL 6 2HG1 VAL 6 2.672 3.166 -2.421
42 HG13 VAL 6 3HG1 VAL 6 2.643 2.171 -3.877
43 HG21 VAL 6 3HG2 VAL 6 0.445 2.427 -1.748
44 HG22 VAL 6 1HG2 VAL 6 0.089 0.708 -1.553
45 HG23 VAL 6 2HG2 VAL 6 0.289 1.387 -3.166
46 H CYS 7 H CYS 7 4.277 -0.815 -4.280
47 HA CYS 7 HA CYS 7 6.086 -1.419 -2.105
48 HB2 CYS 7 2HB CYS 7 6.411 -2.028 -5.043
49 HB3 CYS 7 1HB CYS 7 7.489 -2.564 -3.761
50 H ARG 8 H ARG 8 7.635 -0.164 -1.530
51 HA ARG 8 HA ARG 8 8.696 1.790 -3.358
52 HB2 ARG 8 2HB ARG 8 8.279 3.659 -1.774
53 HB3 ARG 8 1HB ARG 8 6.826 3.020 -2.524
54 HG2 ARG 8 2HG ARG 8 6.269 1.806 -0.502
55 HG3 ARG 8 1HG ARG 8 7.766 2.347 0.256
56 HD2 ARG 8 2HD ARG 8 5.802 3.638 0.974
57 HD3 ARG 8 1HD ARG 8 7.026 4.635 0.195
58 HE ARG 8 HE ARG 8 5.517 4.256 -1.869
59 HH11 ARG 8 1HH1 ARG 8 4.254 4.581 1.427
60 HH12 ARG 8 2HH1 ARG 8 2.882 5.469 0.945
61 HH21 ARG 8 1HH2 ARG 8 3.661 5.442 -2.515
62 HH22 ARG 8 2HH2 ARG 8 2.521 5.972 -1.364
63 H ARG 9 H ARG 9 10.716 2.244 -2.932
64 HA ARG 9 HA ARG 9 12.758 2.314 -2.003
65 HB2 ARG 9 2HB ARG 9 11.415 3.447 -0.147
66 HB3 ARG 9 1HB ARG 9 11.387 1.888 0.649
67 HG2 ARG 9 2HG ARG 9 13.840 1.960 0.819
68 HG3 ARG 9 1HG ARG 9 13.818 3.569 0.083
69 HD2 ARG 9 2HD ARG 9 12.270 4.297 1.893
70 HD3 ARG 9 1HD ARG 9 12.501 2.729 2.650
71 HE ARG 9 HE ARG 9 14.766 4.476 2.102
72 HH11 ARG 9 1HH1 ARG 9 12.836 2.628 4.402
73 HH12 ARG 9 2HH1 ARG 9 13.732 3.078 5.778
74 HH21 ARG 9 1HH2 ARG 9 15.998 5.147 3.981
75 HH22 ARG 9 2HH2 ARG 9 15.589 4.547 5.522
76 H GLY 10 H GLY 10 11.442 -0.086 -2.812
77 HA2 GLY 10 2HA GLY 10 12.088 -2.283 -3.090
78 HA3 GLY 10 1HA GLY 10 13.383 -2.005 -1.937
79 H VAL 11 H VAL 11 10.250 -1.119 -0.814
80 HA VAL 11 HA VAL 11 9.970 -3.683 0.574
81 HB VAL 11 HB VAL 11 9.621 -0.910 1.787
82 HG11 VAL 11 1HG1 VAL 11 7.943 -2.452 2.655
83 HG12 VAL 11 2HG1 VAL 11 9.136 -2.062 3.898
84 HG13 VAL 11 3HG1 VAL 11 9.210 -3.611 3.057
85 HG21 VAL 11 3HG2 VAL 11 11.958 -1.519 1.632
86 HG22 VAL 11 1HG2 VAL 11 11.628 -3.074 2.398
87 HG23 VAL 11 2HG2 VAL 11 11.431 -1.582 3.318
88 H CYS 12 H CYS 12 7.972 -4.478 0.389
89 HA CYS 12 HA CYS 12 5.964 -2.783 -0.806
90 HB2 CYS 12 2HB CYS 12 5.983 -5.733 -0.329
91 HB3 CYS 12 1HB CYS 12 4.675 -4.866 -1.105
92 H ARG 13 H ARG 13 4.434 -1.959 0.137
93 HA ARG 13 HA ARG 13 3.887 -2.706 2.954
94 HB2 ARG 13 2HB ARG 13 4.885 -0.380 2.349
95 HB3 ARG 13 1HB ARG 13 3.296 -0.054 1.677
96 HG2 ARG 13 2HG ARG 13 3.332 0.923 3.794
97 HG3 ARG 13 1HG ARG 13 2.329 -0.526 3.886
98 HD2 ARG 13 2HD ARG 13 5.236 -0.449 4.719
99 HD3 ARG 13 1HD ARG 13 3.927 -0.137 5.844
100 HE ARG 13 HE ARG 13 3.229 -2.515 4.929
101 HH11 ARG 13 1HH1 ARG 13 6.476 -1.426 5.942
102 HH12 ARG 13 2HH1 ARG 13 6.915 -2.928 6.594
103 HH21 ARG 13 1HH2 ARG 13 3.893 -4.575 5.781
104 HH22 ARG 13 2HH2 ARG 13 5.429 -4.739 6.512
105 H ABA 14 H ABA 14 1.903 -3.655 3.156
106 HA ABA 14 HA ABA 14 -0.072 -3.318 1.051
107 HB3 ABA 14 1HB ABA 14 -0.107 -5.128 3.480
108 HB2 ABA 14 2HB ABA 14 0.457 -5.605 1.883
109 HG1 ABA 14 3HG ABA 14 -2.354 -4.778 2.578
110 HG3 ABA 14 1HG ABA 14 -1.792 -6.426 2.307
111 HG2 ABA 14 2HG ABA 14 -1.786 -5.259 0.983
112 H VAL 15 H VAL 15 -1.049 -1.432 1.279
113 HA VAL 15 HA VAL 15 -2.055 -0.754 3.920
114 HB VAL 15 HB VAL 15 -2.370 1.560 3.063
115 HG11 VAL 15 1HG1 VAL 15 -0.335 1.010 4.237
116 HG12 VAL 15 2HG1 VAL 15 0.001 2.181 2.962
117 HG13 VAL 15 3HG1 VAL 15 0.423 0.486 2.735
118 HG21 VAL 15 3HG2 VAL 15 -1.335 2.247 0.924
119 HG22 VAL 15 1HG2 VAL 15 -2.650 1.098 0.671
120 HG23 VAL 15 2HG2 VAL 15 -0.977 0.557 0.567
121 H CYS 16 H CYS 16 -4.100 -1.092 4.327
122 HA CYS 16 HA CYS 16 -5.850 -1.461 2.050
123 HB2 CYS 16 2HB CYS 16 -6.252 -2.322 4.924
124 HB3 CYS 16 1HB CYS 16 -7.360 -2.640 3.597
125 H ARG 17 H ARG 17 -7.586 -0.238 1.698
126 HA ARG 17 HA ARG 17 -8.519 1.541 3.745
127 HB2 ARG 17 2HB ARG 17 -8.216 3.586 2.348
128 HB3 ARG 17 1HB ARG 17 -6.715 2.900 2.931
129 HG2 ARG 17 2HG ARG 17 -6.422 1.826 0.686
130 HG3 ARG 17 1HG ARG 17 -7.836 2.727 0.140
131 HD2 ARG 17 2HD ARG 17 -5.782 3.907 -0.453
132 HD3 ARG 17 1HD ARG 17 -6.717 4.826 0.726
133 HE ARG 17 HE ARG 17 -4.818 3.130 1.976
134 HH11 ARG 17 1HH1 ARG 17 -5.175 6.300 0.427
135 HH12 ARG 17 2HH1 ARG 17 -3.813 6.965 1.190
136 HH21 ARG 17 1HH2 ARG 17 -2.966 4.050 3.027
137 HH22 ARG 17 2HH2 ARG 17 -2.511 5.652 2.685
138 H ARG 18 H ARG 18 -10.610 1.828 3.560
139 HA ARG 18 HA ARG 18 -12.739 1.789 2.814
140 HB2 ARG 18 2HB ARG 18 -11.888 3.592 1.352
141 HB3 ARG 18 1HB ARG 18 -11.393 2.405 0.169
142 HG2 ARG 18 2HG ARG 18 -13.729 1.873 -0.277
143 HG3 ARG 18 1HG ARG 18 -14.238 3.032 0.948
144 HD2 ARG 18 2HD ARG 18 -14.357 3.961 -1.342
145 HD3 ARG 18 1HD ARG 18 -13.246 4.850 -0.304
146 HE ARG 18 HE ARG 18 -11.827 2.879 -1.687
147 HH11 ARG 18 1HH1 ARG 18 -13.454 5.953 -2.312
148 HH12 ARG 18 2HH1 ARG 18 -12.462 6.403 -3.609
149 HH21 ARG 18 1HH2 ARG 18 -10.435 3.469 -3.427
150 HH22 ARG 18 2HH2 ARG 18 -10.671 4.930 -4.287
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -10.671 -0.639 2.956
2 HA2 GLY 1 2HA GLY 1 -11.127 -2.900 3.321
3 HA3 GLY 1 1HA GLY 1 -12.517 -2.764 2.259
4 H VAL 2 H VAL 2 -9.967 -1.391 0.642
5 HA VAL 2 HA VAL 2 -9.392 -3.921 -0.733
6 HB VAL 2 HB VAL 2 -9.190 -1.083 -1.806
7 HG11 VAL 2 1HG1 VAL 2 -8.860 -2.141 -3.998
8 HG12 VAL 2 2HG1 VAL 2 -8.877 -3.726 -3.227
9 HG13 VAL 2 3HG1 VAL 2 -7.587 -2.582 -2.857
10 HG21 VAL 2 3HG2 VAL 2 -11.253 -3.202 -2.411
11 HG22 VAL 2 1HG2 VAL 2 -11.134 -1.633 -3.206
12 HG23 VAL 2 2HG2 VAL 2 -11.526 -1.727 -1.487
13 H CYS 3 H CYS 3 -7.363 -4.632 -0.417
14 HA CYS 3 HA CYS 3 -5.537 -2.758 0.761
15 HB2 CYS 3 2HB CYS 3 -5.250 -5.691 0.396
16 HB3 CYS 3 1HB CYS 3 -4.166 -4.665 1.319
17 H ARG 4 H ARG 4 -4.300 -1.717 -0.159
18 HA ARG 4 HA ARG 4 -3.569 -2.219 -2.938
19 HB2 ARG 4 2HB ARG 4 -4.696 -0.086 -2.367
20 HB3 ARG 4 1HB ARG 4 -3.383 0.286 -1.261
21 HG2 ARG 4 2HG ARG 4 -3.144 1.515 -3.311
22 HG3 ARG 4 1HG ARG 4 -1.824 0.355 -3.113
23 HD2 ARG 4 2HD ARG 4 -2.940 -1.185 -4.639
24 HD3 ARG 4 1HD ARG 4 -4.287 -0.062 -4.804
25 HE ARG 4 HE ARG 4 -2.040 1.328 -5.508
26 HH11 ARG 4 1HH1 ARG 4 -3.670 -1.619 -6.615
27 HH12 ARG 4 2HH1 ARG 4 -3.266 -1.421 -8.244
28 HH21 ARG 4 1HH2 ARG 4 -1.439 1.589 -7.824
29 HH22 ARG 4 2HH2 ARG 4 -1.963 0.420 -8.945
30 H ABA 5 H ABA 5 -1.549 -2.967 -3.290
31 HA ABA 5 HA ABA 5 0.393 -2.698 -1.181
32 HB3 ABA 5 1HB ABA 5 0.251 -4.915 -2.138
33 HB2 ABA 5 2HB ABA 5 1.815 -4.234 -2.549
34 HG1 ABA 5 3HG ABA 5 -0.545 -4.470 -4.404
35 HG3 ABA 5 1HG ABA 5 0.912 -5.460 -4.421
36 HG2 ABA 5 2HG ABA 5 1.007 -3.744 -4.811
37 H VAL 6 H VAL 6 1.361 -0.883 -1.065
38 HA VAL 6 HA VAL 6 2.300 0.419 -3.527
39 HB VAL 6 HB VAL 6 2.127 1.574 -0.715
40 HG11 VAL 6 1HG1 VAL 6 2.561 3.734 -1.799
41 HG12 VAL 6 2HG1 VAL 6 2.749 2.912 -3.349
42 HG13 VAL 6 3HG1 VAL 6 3.889 2.601 -2.043
43 HG21 VAL 6 3HG2 VAL 6 -0.106 1.192 -1.638
44 HG22 VAL 6 1HG2 VAL 6 0.335 2.075 -3.098
45 HG23 VAL 6 2HG2 VAL 6 0.248 2.916 -1.548
46 H CYS 7 H CYS 7 4.334 -0.052 -3.972
47 HA CYS 7 HA CYS 7 6.023 -0.937 -1.782
48 HB2 CYS 7 2HB CYS 7 6.494 -1.235 -4.747
49 HB3 CYS 7 1HB CYS 7 7.432 -1.982 -3.459
50 H ARG 8 H ARG 8 7.830 0.011 -1.185
51 HA ARG 8 HA ARG 8 8.807 2.293 -2.716
52 HB2 ARG 8 2HB ARG 8 8.095 2.337 0.224
53 HB3 ARG 8 1HB ARG 8 9.067 3.558 -0.569
54 HG2 ARG 8 2HG ARG 8 6.210 2.910 -1.242
55 HG3 ARG 8 1HG ARG 8 6.736 4.247 -0.216
56 HD2 ARG 8 2HD ARG 8 8.018 5.138 -2.148
57 HD3 ARG 8 1HD ARG 8 7.361 3.834 -3.139
58 HE ARG 8 HE ARG 8 5.330 5.276 -1.822
59 HH11 ARG 8 1HH1 ARG 8 7.487 5.431 -4.628
60 HH12 ARG 8 2HH1 ARG 8 6.508 6.506 -5.516
61 HH21 ARG 8 1HH2 ARG 8 3.952 6.718 -3.073
62 HH22 ARG 8 2HH2 ARG 8 4.436 7.236 -4.624
63 H ARG 9 H ARG 9 10.854 1.937 -3.025
64 HA ARG 9 HA ARG 9 12.999 1.334 -2.806
65 HB2 ARG 9 2HB ARG 9 12.766 2.951 -0.900
66 HB3 ARG 9 1HB ARG 9 12.500 1.588 0.169
67 HG2 ARG 9 2HG ARG 9 14.753 0.826 -0.163
68 HG3 ARG 9 1HG ARG 9 15.023 2.027 -1.427
69 HD2 ARG 9 2HD ARG 9 14.426 2.608 1.465
70 HD3 ARG 9 1HD ARG 9 16.004 2.751 0.687
71 HE ARG 9 HE ARG 9 14.443 4.303 -0.835
72 HH11 ARG 9 1HH1 ARG 9 15.127 4.214 2.620
73 HH12 ARG 9 2HH1 ARG 9 14.772 5.850 2.903
74 HH21 ARG 9 1HH2 ARG 9 13.929 6.625 -0.444
75 HH22 ARG 9 2HH2 ARG 9 14.044 7.219 1.143
76 H GLY 10 H GLY 10 11.117 -0.727 -3.058
77 HA2 GLY 10 2HA GLY 10 11.466 -2.999 -3.345
78 HA3 GLY 10 1HA GLY 10 12.824 -2.911 -2.235
79 H VAL 11 H VAL 11 10.341 -1.381 -0.682
80 HA VAL 11 HA VAL 11 9.636 -3.888 0.670
81 HB VAL 11 HB VAL 11 9.555 -1.065 1.775
82 HG11 VAL 11 1HG1 VAL 11 9.154 -3.713 3.169
83 HG12 VAL 11 2HG1 VAL 11 7.909 -2.505 2.833
84 HG13 VAL 11 3HG1 VAL 11 9.211 -2.139 3.962
85 HG21 VAL 11 3HG2 VAL 11 11.866 -1.750 1.450
86 HG22 VAL 11 1HG2 VAL 11 11.561 -3.258 2.315
87 HG23 VAL 11 2HG2 VAL 11 11.483 -1.719 3.171
88 H CYS 12 H CYS 12 7.536 -4.449 0.528
89 HA CYS 12 HA CYS 12 5.829 -2.443 -0.662
90 HB2 CYS 12 2HB CYS 12 5.473 -5.415 -0.581
91 HB3 CYS 12 1HB CYS 12 4.334 -4.290 -1.303
92 H ARG 13 H ARG 13 4.166 -1.650 0.216
93 HA ARG 13 HA ARG 13 3.499 -2.629 2.901
94 HB2 ARG 13 2HB ARG 13 4.430 -0.323 2.820
95 HB3 ARG 13 1HB ARG 13 3.101 0.156 1.783
96 HG2 ARG 13 2HG ARG 13 2.732 0.862 4.064
97 HG3 ARG 13 1HG ARG 13 1.513 -0.308 3.548
98 HD2 ARG 13 2HD ARG 13 2.342 -0.741 5.844
99 HD3 ARG 13 1HD ARG 13 2.638 -2.086 4.751
100 HE ARG 13 HE ARG 13 4.768 -0.158 5.046
101 HH11 ARG 13 1HH1 ARG 13 3.454 -3.280 6.109
102 HH12 ARG 13 2HH1 ARG 13 4.920 -3.866 6.720
103 HH21 ARG 13 1HH2 ARG 13 6.817 -0.965 5.890
104 HH22 ARG 13 2HH2 ARG 13 6.901 -2.510 6.581
105 H ABA 14 H ABA 14 1.628 -3.546 3.079
106 HA ABA 14 HA ABA 14 -0.353 -3.297 0.989
107 HB3 ABA 14 1HB ABA 14 -0.260 -5.054 3.459
108 HB2 ABA 14 2HB ABA 14 0.302 -5.532 1.867
109 HG1 ABA 14 3HG ABA 14 -1.867 -6.481 2.327
110 HG3 ABA 14 1HG ABA 14 -1.974 -5.323 1.000
111 HG2 ABA 14 2HG ABA 14 -2.531 -4.874 2.619
112 H VAL 15 H VAL 15 -1.122 -1.246 1.342
113 HA VAL 15 HA VAL 15 -2.236 -0.667 3.964
114 HB VAL 15 HB VAL 15 -0.819 1.125 3.062
115 HG11 VAL 15 1HG1 VAL 15 -1.420 2.410 1.072
116 HG12 VAL 15 2HG1 VAL 15 -2.732 1.276 0.745
117 HG13 VAL 15 3HG1 VAL 15 -1.057 0.726 0.683
118 HG21 VAL 15 3HG2 VAL 15 -3.736 1.896 3.066
119 HG22 VAL 15 1HG2 VAL 15 -2.384 3.016 3.219
120 HG23 VAL 15 2HG2 VAL 15 -2.673 1.808 4.471
121 H CYS 16 H CYS 16 -4.303 -0.840 4.349
122 HA CYS 16 HA CYS 16 -5.966 -1.442 2.050
123 HB2 CYS 16 2HB CYS 16 -6.565 -1.913 4.971
124 HB3 CYS 16 1HB CYS 16 -7.467 -2.548 3.590
125 H ARG 17 H ARG 17 -7.375 -0.275 1.264
126 HA ARG 17 HA ARG 17 -8.163 2.168 2.662
127 HB2 ARG 17 2HB ARG 17 -7.435 1.824 -0.258
128 HB3 ARG 17 1HB ARG 17 -8.026 3.297 0.484
129 HG2 ARG 17 2HG ARG 17 -5.403 1.956 1.130
130 HG3 ARG 17 1HG ARG 17 -5.604 3.350 0.072
131 HD2 ARG 17 2HD ARG 17 -6.282 3.229 3.010
132 HD3 ARG 17 1HD ARG 17 -4.889 4.042 2.296
133 HE ARG 17 HE ARG 17 -6.901 5.198 1.003
134 HH11 ARG 17 1HH1 ARG 17 -6.358 4.697 4.460
135 HH12 ARG 17 2HH1 ARG 17 -7.316 6.015 4.927
136 HH21 ARG 17 1HH2 ARG 17 -8.200 6.990 1.659
137 HH22 ARG 17 2HH2 ARG 17 -8.385 7.348 3.321
138 H ARG 18 H ARG 18 -10.261 1.904 2.977
139 HA ARG 18 HA ARG 18 -12.450 1.532 2.678
140 HB2 ARG 18 2HB ARG 18 -12.037 3.048 0.704
141 HB3 ARG 18 1HB ARG 18 -11.810 1.626 -0.291
142 HG2 ARG 18 2HG ARG 18 -14.015 2.589 -0.620
143 HG3 ARG 18 1HG ARG 18 -14.122 0.978 0.094
144 HD2 ARG 18 2HD ARG 18 -14.518 1.928 2.276
145 HD3 ARG 18 1HD ARG 18 -14.278 3.559 1.650
146 HE ARG 18 HE ARG 18 -16.335 2.058 0.342
147 HH11 ARG 18 1HH1 ARG 18 -15.650 4.128 3.127
148 HH12 ARG 18 2HH1 ARG 18 -17.220 4.780 3.212
149 HH21 ARG 18 1HH2 ARG 18 -18.540 2.941 0.512
150 HH22 ARG 18 2HH2 ARG 18 -18.855 4.119 1.710
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -11.035 -0.785 3.165
2 HA2 GLY 1 2HA GLY 1 -11.329 -3.079 3.153
3 HA3 GLY 1 1HA GLY 1 -12.801 -2.856 2.221
4 H VAL 2 H VAL 2 -10.128 -1.246 0.896
5 HA VAL 2 HA VAL 2 -9.717 -3.447 -1.001
6 HB VAL 2 HB VAL 2 -9.461 -0.469 -1.527
7 HG11 VAL 2 1HG1 VAL 2 -9.273 -2.812 -3.422
8 HG12 VAL 2 2HG1 VAL 2 -7.936 -1.793 -2.888
9 HG13 VAL 2 3HG1 VAL 2 -9.221 -1.110 -3.883
10 HG21 VAL 2 3HG2 VAL 2 -11.797 -1.079 -1.254
11 HG22 VAL 2 1HG2 VAL 2 -11.605 -2.405 -2.400
12 HG23 VAL 2 2HG2 VAL 2 -11.452 -0.739 -2.949
13 H CYS 3 H CYS 3 -7.804 -4.323 -0.625
14 HA CYS 3 HA CYS 3 -5.775 -2.726 0.612
15 HB2 CYS 3 2HB CYS 3 -5.821 -5.635 -0.080
16 HB3 CYS 3 1HB CYS 3 -4.460 -4.838 0.699
17 H ARG 4 H ARG 4 -4.082 -1.960 -0.224
18 HA ARG 4 HA ARG 4 -3.443 -2.555 -3.024
19 HB2 ARG 4 2HB ARG 4 -4.613 -0.413 -2.882
20 HB3 ARG 4 1HB ARG 4 -3.496 0.139 -1.652
21 HG2 ARG 4 2HG ARG 4 -3.034 1.133 -3.806
22 HG3 ARG 4 1HG ARG 4 -1.688 0.144 -3.247
23 HD2 ARG 4 2HD ARG 4 -2.340 -1.656 -4.719
24 HD3 ARG 4 1HD ARG 4 -3.787 -0.780 -5.213
25 HE ARG 4 HE ARG 4 -2.016 0.947 -5.946
26 HH11 ARG 4 1HH1 ARG 4 -1.687 -2.589 -6.279
27 HH12 ARG 4 2HH1 ARG 4 -0.766 -2.468 -7.704
28 HH21 ARG 4 1HH2 ARG 4 -0.772 1.053 -7.868
29 HH22 ARG 4 2HH2 ARG 4 -0.219 -0.382 -8.618
30 H ABA 5 H ABA 5 -1.445 -3.288 -3.214
31 HA ABA 5 HA ABA 5 0.466 -2.843 -1.078
32 HB3 ABA 5 1HB ABA 5 1.840 -4.521 -2.279
33 HB2 ABA 5 2HB ABA 5 0.598 -4.624 -3.522
34 HG1 ABA 5 3HG ABA 5 -0.991 -5.452 -1.866
35 HG3 ABA 5 1HG ABA 5 0.265 -5.373 -0.631
36 HG2 ABA 5 2HG ABA 5 0.432 -6.484 -1.994
37 H VAL 6 H VAL 6 1.605 -1.098 -1.217
38 HA VAL 6 HA VAL 6 2.551 -0.281 -3.854
39 HB VAL 6 HB VAL 6 1.074 1.423 -2.842
40 HG11 VAL 6 1HG1 VAL 6 1.703 2.639 -0.822
41 HG12 VAL 6 2HG1 VAL 6 3.033 1.508 -0.562
42 HG13 VAL 6 3HG1 VAL 6 1.365 0.938 -0.495
43 HG21 VAL 6 3HG2 VAL 6 3.970 2.268 -2.897
44 HG22 VAL 6 1HG2 VAL 6 2.589 3.366 -2.959
45 HG23 VAL 6 2HG2 VAL 6 2.861 2.217 -4.270
46 H CYS 7 H CYS 7 4.708 -0.181 -4.132
47 HA CYS 7 HA CYS 7 6.217 -1.001 -1.798
48 HB2 CYS 7 2HB CYS 7 6.987 -1.355 -4.703
49 HB3 CYS 7 1HB CYS 7 7.844 -2.006 -3.311
50 H ARG 8 H ARG 8 7.946 0.050 -1.077
51 HA ARG 8 HA ARG 8 8.787 2.451 -2.539
52 HB2 ARG 8 2HB ARG 8 8.361 2.201 0.448
53 HB3 ARG 8 1HB ARG 8 9.044 3.593 -0.364
54 HG2 ARG 8 2HG ARG 8 6.909 3.985 -1.489
55 HG3 ARG 8 1HG ARG 8 6.222 2.574 -0.673
56 HD2 ARG 8 2HD ARG 8 5.599 4.604 0.520
57 HD3 ARG 8 1HD ARG 8 6.686 3.629 1.501
58 HE ARG 8 HE ARG 8 7.976 5.633 -0.098
59 HH11 ARG 8 1HH1 ARG 8 6.494 4.956 3.074
60 HH12 ARG 8 2HH1 ARG 8 7.303 6.216 3.878
61 HH21 ARG 8 1HH2 ARG 8 9.057 7.418 1.024
62 HH22 ARG 8 2HH2 ARG 8 8.772 7.659 2.681
63 H ARG 9 H ARG 9 10.743 1.926 -3.141
64 HA ARG 9 HA ARG 9 12.842 1.239 -3.231
65 HB2 ARG 9 2HB ARG 9 13.077 3.101 -1.597
66 HB3 ARG 9 1HB ARG 9 12.899 1.960 -0.281
67 HG2 ARG 9 2HG ARG 9 15.248 2.645 -0.696
68 HG3 ARG 9 1HG ARG 9 14.993 0.905 -0.838
69 HD2 ARG 9 2HD ARG 9 16.430 1.742 -2.630
70 HD3 ARG 9 1HD ARG 9 14.923 1.100 -3.269
71 HE ARG 9 HE ARG 9 15.028 3.954 -2.787
72 HH11 ARG 9 1HH1 ARG 9 15.272 1.362 -5.190
73 HH12 ARG 9 2HH1 ARG 9 15.074 2.391 -6.530
74 HH21 ARG 9 1HH2 ARG 9 14.751 5.361 -4.658
75 HH22 ARG 9 2HH2 ARG 9 14.775 4.693 -6.222
76 H GLY 10 H GLY 10 11.109 -0.786 -3.074
77 HA2 GLY 10 2HA GLY 10 11.473 -3.091 -3.142
78 HA3 GLY 10 1HA GLY 10 12.859 -2.881 -2.082
79 H VAL 11 H VAL 11 10.536 -1.161 -0.591
80 HA VAL 11 HA VAL 11 9.851 -3.453 1.101
81 HB VAL 11 HB VAL 11 9.610 -0.483 1.699
82 HG11 VAL 11 1HG1 VAL 11 9.390 -2.874 3.521
83 HG12 VAL 11 2HG1 VAL 11 8.068 -1.823 3.004
84 HG13 VAL 11 3HG1 VAL 11 9.348 -1.186 4.038
85 HG21 VAL 11 3HG2 VAL 11 11.592 -0.751 3.121
86 HG22 VAL 11 1HG2 VAL 11 11.955 -1.111 1.432
87 HG23 VAL 11 2HG2 VAL 11 11.736 -2.424 2.591
88 H CYS 12 H CYS 12 7.926 -4.292 0.501
89 HA CYS 12 HA CYS 12 6.012 -2.455 -0.626
90 HB2 CYS 12 2HB CYS 12 5.864 -5.455 -0.484
91 HB3 CYS 12 1HB CYS 12 4.738 -4.404 -1.319
92 H ARG 13 H ARG 13 4.351 -1.757 0.241
93 HA ARG 13 HA ARG 13 3.631 -2.882 2.848
94 HB2 ARG 13 2HB ARG 13 4.638 -0.612 3.028
95 HB3 ARG 13 1HB ARG 13 3.351 -0.001 1.991
96 HG2 ARG 13 2HG ARG 13 2.863 0.504 4.284
97 HG3 ARG 13 1HG ARG 13 1.696 -0.655 3.639
98 HD2 ARG 13 2HD ARG 13 3.004 -2.495 4.688
99 HD3 ARG 13 1HD ARG 13 4.069 -1.276 5.385
100 HE ARG 13 HE ARG 13 1.312 -0.911 6.057
101 HH11 ARG 13 1HH1 ARG 13 4.339 -2.501 6.969
102 HH12 ARG 13 2HH1 ARG 13 3.830 -2.865 8.555
103 HH21 ARG 13 1HH2 ARG 13 0.625 -1.406 8.218
104 HH22 ARG 13 2HH2 ARG 13 1.663 -2.253 9.281
105 H ABA 14 H ABA 14 1.693 -3.722 2.922
106 HA ABA 14 HA ABA 14 -0.242 -3.113 0.854
107 HB3 ABA 14 1HB ABA 14 -0.394 -5.085 3.147
108 HB2 ABA 14 2HB ABA 14 0.180 -5.481 1.534
109 HG1 ABA 14 3HG ABA 14 -2.116 -6.217 1.847
110 HG3 ABA 14 1HG ABA 14 -2.025 -4.949 0.622
111 HG2 ABA 14 2HG ABA 14 -2.603 -4.567 2.246
112 H VAL 15 H VAL 15 -1.083 -1.171 1.264
113 HA VAL 15 HA VAL 15 -2.164 -0.658 3.925
114 HB VAL 15 HB VAL 15 -2.592 1.673 3.115
115 HG11 VAL 15 1HG1 VAL 15 0.255 0.758 2.765
116 HG12 VAL 15 2HG1 VAL 15 -0.524 1.197 4.289
117 HG13 VAL 15 3HG1 VAL 15 -0.259 2.421 3.046
118 HG21 VAL 15 3HG2 VAL 15 -2.834 1.214 0.716
119 HG22 VAL 15 1HG2 VAL 15 -1.121 0.800 0.620
120 HG23 VAL 15 2HG2 VAL 15 -1.610 2.452 1.002
121 H CYS 16 H CYS 16 -4.366 -0.552 4.240
122 HA CYS 16 HA CYS 16 -5.869 -1.263 1.854
123 HB2 CYS 16 2HB CYS 16 -6.495 -2.166 4.675
124 HB3 CYS 16 1HB CYS 16 -7.348 -2.632 3.211
125 H ARG 17 H ARG 17 -7.532 -0.111 1.338
126 HA ARG 17 HA ARG 17 -8.540 1.792 3.307
127 HB2 ARG 17 2HB ARG 17 -8.568 3.590 1.588
128 HB3 ARG 17 1HB ARG 17 -6.955 3.101 2.069
129 HG2 ARG 17 2HG ARG 17 -6.726 1.812 0.009
130 HG3 ARG 17 1HG ARG 17 -8.370 2.257 -0.453
131 HD2 ARG 17 2HD ARG 17 -6.735 3.669 -1.591
132 HD3 ARG 17 1HD ARG 17 -7.714 4.617 -0.477
133 HE ARG 17 HE ARG 17 -5.498 3.857 0.952
134 HH11 ARG 17 1HH1 ARG 17 -6.125 5.859 -1.897
135 HH12 ARG 17 2HH1 ARG 17 -4.690 6.765 -1.735
136 HH21 ARG 17 1HH2 ARG 17 -3.594 5.082 1.174
137 HH22 ARG 17 2HH2 ARG 17 -3.185 6.295 0.045
138 H ARG 18 H ARG 18 -10.612 1.752 3.447
139 HA ARG 18 HA ARG 18 -12.793 1.416 3.079
140 HB2 ARG 18 2HB ARG 18 -12.341 3.122 1.251
141 HB3 ARG 18 1HB ARG 18 -12.170 1.790 0.124
142 HG2 ARG 18 2HG ARG 18 -14.357 2.769 -0.090
143 HG3 ARG 18 1HG ARG 18 -14.514 1.151 0.599
144 HD2 ARG 18 2HD ARG 18 -14.648 2.162 2.842
145 HD3 ARG 18 1HD ARG 18 -14.584 3.762 2.099
146 HE ARG 18 HE ARG 18 -16.651 2.080 1.095
147 HH11 ARG 18 1HH1 ARG 18 -15.802 4.432 3.613
148 HH12 ARG 18 2HH1 ARG 18 -17.424 4.836 3.969
149 HH21 ARG 18 1HH2 ARG 18 -18.850 2.612 1.614
150 HH22 ARG 18 2HH2 ARG 18 -19.205 3.766 2.807
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -11.447 -0.442 2.313
2 HA2 GLY 1 2HA GLY 1 -12.208 -2.646 2.238
3 HA3 GLY 1 1HA GLY 1 -13.251 -2.204 0.896
4 H VAL 2 H VAL 2 -10.094 -1.133 0.363
5 HA VAL 2 HA VAL 2 -9.538 -3.475 -1.321
6 HB VAL 2 HB VAL 2 -8.932 -0.571 -1.968
7 HG11 VAL 2 1HG1 VAL 2 -7.303 -2.076 -2.939
8 HG12 VAL 2 2HG1 VAL 2 -8.328 -1.400 -4.203
9 HG13 VAL 2 3HG1 VAL 2 -8.591 -3.055 -3.643
10 HG21 VAL 2 3HG2 VAL 2 -11.324 -0.955 -2.125
11 HG22 VAL 2 1HG2 VAL 2 -11.058 -2.369 -3.144
12 HG23 VAL 2 2HG2 VAL 2 -10.637 -0.762 -3.739
13 H CYS 3 H CYS 3 -7.490 -4.248 -1.111
14 HA CYS 3 HA CYS 3 -5.766 -2.722 0.637
15 HB2 CYS 3 2HB CYS 3 -5.632 -5.631 -0.076
16 HB3 CYS 3 1HB CYS 3 -4.485 -4.809 0.960
17 H ARG 4 H ARG 4 -4.099 -1.847 -0.006
18 HA ARG 4 HA ARG 4 -3.139 -2.257 -2.763
19 HB2 ARG 4 2HB ARG 4 -4.078 -0.043 -2.426
20 HB3 ARG 4 1HB ARG 4 -3.155 0.150 -0.956
21 HG2 ARG 4 2HG ARG 4 -2.176 1.524 -2.632
22 HG3 ARG 4 1HG ARG 4 -1.091 0.192 -2.269
23 HD2 ARG 4 2HD ARG 4 -2.986 0.146 -4.604
24 HD3 ARG 4 1HD ARG 4 -1.392 0.879 -4.723
25 HE ARG 4 HE ARG 4 -0.571 -1.411 -4.044
26 HH11 ARG 4 1HH1 ARG 4 -3.595 -0.950 -5.894
27 HH12 ARG 4 2HH1 ARG 4 -3.414 -2.406 -6.756
28 HH21 ARG 4 1HH2 ARG 4 -0.363 -3.435 -5.353
29 HH22 ARG 4 2HH2 ARG 4 -1.592 -3.804 -6.452
30 H ABA 5 H ABA 5 -1.279 -3.346 -2.732
31 HA ABA 5 HA ABA 5 0.520 -2.942 -0.529
32 HB3 ABA 5 1HB ABA 5 0.476 -5.206 -1.503
33 HB2 ABA 5 2HB ABA 5 2.067 -4.499 -1.718
34 HG1 ABA 5 3HG ABA 5 1.386 -5.739 -3.689
35 HG3 ABA 5 1HG ABA 5 1.581 -4.022 -4.040
36 HG2 ABA 5 2HG ABA 5 -0.034 -4.703 -3.858
37 H VAL 6 H VAL 6 1.492 -1.128 -0.407
38 HA VAL 6 HA VAL 6 2.259 0.192 -2.861
39 HB VAL 6 HB VAL 6 0.932 1.612 -1.355
40 HG11 VAL 6 1HG1 VAL 6 1.439 0.618 0.793
41 HG12 VAL 6 2HG1 VAL 6 1.742 2.356 0.829
42 HG13 VAL 6 3HG1 VAL 6 3.090 1.227 0.700
43 HG21 VAL 6 3HG2 VAL 6 3.814 2.482 -1.491
44 HG22 VAL 6 1HG2 VAL 6 2.441 3.550 -1.181
45 HG23 VAL 6 2HG2 VAL 6 2.583 2.718 -2.730
46 H CYS 7 H CYS 7 4.159 -0.199 -3.517
47 HA CYS 7 HA CYS 7 6.113 -1.054 -1.573
48 HB2 CYS 7 2HB CYS 7 6.239 -1.277 -4.586
49 HB3 CYS 7 1HB CYS 7 7.341 -2.027 -3.429
50 H ARG 8 H ARG 8 7.748 0.004 -1.029
51 HA ARG 8 HA ARG 8 8.261 2.529 -2.409
52 HB2 ARG 8 2HB ARG 8 8.369 1.880 0.530
53 HB3 ARG 8 1HB ARG 8 8.956 3.375 -0.172
54 HG2 ARG 8 2HG ARG 8 6.670 3.865 -0.959
55 HG3 ARG 8 1HG ARG 8 6.114 2.380 -0.189
56 HD2 ARG 8 2HD ARG 8 5.677 4.305 1.235
57 HD3 ARG 8 1HD ARG 8 6.852 3.216 1.964
58 HE ARG 8 HE ARG 8 8.592 4.788 1.146
59 HH11 ARG 8 1HH1 ARG 8 5.305 6.043 1.597
60 HH12 ARG 8 2HH1 ARG 8 5.806 7.585 2.080
61 HH21 ARG 8 1HH2 ARG 8 9.279 6.929 1.822
62 HH22 ARG 8 2HH2 ARG 8 8.114 8.115 2.203
63 H ARG 9 H ARG 9 10.039 2.190 -3.478
64 HA ARG 9 HA ARG 9 12.090 1.510 -4.109
65 HB2 ARG 9 2HB ARG 9 12.560 3.416 -2.637
66 HB3 ARG 9 1HB ARG 9 12.637 2.355 -1.254
67 HG2 ARG 9 2HG ARG 9 14.658 1.310 -2.169
68 HG3 ARG 9 1HG ARG 9 14.568 2.374 -3.574
69 HD2 ARG 9 2HD ARG 9 16.161 3.174 -1.854
70 HD3 ARG 9 1HD ARG 9 14.859 4.324 -2.181
71 HE ARG 9 HE ARG 9 14.014 2.749 -0.088
72 HH11 ARG 9 1HH1 ARG 9 16.674 5.036 -0.595
73 HH12 ARG 9 2HH1 ARG 9 16.741 5.502 1.045
74 HH21 ARG 9 1HH2 ARG 9 14.098 3.425 2.116
75 HH22 ARG 9 2HH2 ARG 9 15.249 4.582 2.600
76 H GLY 10 H GLY 10 10.669 -0.657 -3.709
77 HA2 GLY 10 2HA GLY 10 11.271 -2.904 -3.891
78 HA3 GLY 10 1HA GLY 10 12.764 -2.549 -3.039
79 H VAL 11 H VAL 11 10.361 -1.209 -1.192
80 HA VAL 11 HA VAL 11 10.078 -3.712 0.323
81 HB VAL 11 HB VAL 11 10.156 -0.883 1.449
82 HG11 VAL 11 1HG1 VAL 11 10.133 -1.961 3.657
83 HG12 VAL 11 2HG1 VAL 11 9.986 -3.536 2.887
84 HG13 VAL 11 3HG1 VAL 11 8.680 -2.354 2.737
85 HG21 VAL 11 3HG2 VAL 11 12.359 -1.662 0.717
86 HG22 VAL 11 1HG2 VAL 11 12.168 -3.125 1.681
87 HG23 VAL 11 2HG2 VAL 11 12.279 -1.552 2.476
88 H CYS 12 H CYS 12 8.078 -4.449 0.256
89 HA CYS 12 HA CYS 12 5.983 -2.610 -0.509
90 HB2 CYS 12 2HB CYS 12 5.977 -5.590 -0.412
91 HB3 CYS 12 1HB CYS 12 4.627 -4.603 -0.941
92 H ARG 13 H ARG 13 4.533 -1.902 0.610
93 HA ARG 13 HA ARG 13 4.059 -2.987 3.311
94 HB2 ARG 13 2HB ARG 13 5.071 -0.707 3.242
95 HB3 ARG 13 1HB ARG 13 3.703 -0.150 2.302
96 HG2 ARG 13 2HG ARG 13 3.522 0.533 4.610
97 HG3 ARG 13 1HG ARG 13 2.222 -0.575 4.161
98 HD2 ARG 13 2HD ARG 13 3.206 -1.047 6.400
99 HD3 ARG 13 1HD ARG 13 3.320 -2.403 5.282
100 HE ARG 13 HE ARG 13 5.647 -0.835 5.127
101 HH11 ARG 13 1HH1 ARG 13 4.084 -3.138 7.340
102 HH12 ARG 13 2HH1 ARG 13 5.555 -3.659 8.016
103 HH21 ARG 13 1HH2 ARG 13 7.612 -1.581 6.016
104 HH22 ARG 13 2HH2 ARG 13 7.624 -2.788 7.228
105 H ABA 14 H ABA 14 2.046 -3.807 3.588
106 HA ABA 14 HA ABA 14 0.079 -3.341 1.497
107 HB3 ABA 14 1HB ABA 14 0.049 -5.294 3.811
108 HB2 ABA 14 2HB ABA 14 0.539 -5.671 2.164
109 HG1 ABA 14 3HG ABA 14 -1.727 -5.214 1.376
110 HG3 ABA 14 1HG ABA 14 -2.219 -4.835 3.028
111 HG2 ABA 14 2HG ABA 14 -1.710 -6.473 2.611
112 H VAL 15 H VAL 15 -1.200 -1.650 1.756
113 HA VAL 15 HA VAL 15 -2.240 -1.123 4.430
114 HB VAL 15 HB VAL 15 -2.555 1.245 3.725
115 HG11 VAL 15 1HG1 VAL 15 0.288 0.277 3.534
116 HG12 VAL 15 2HG1 VAL 15 -0.585 0.663 5.017
117 HG13 VAL 15 3HG1 VAL 15 -0.201 1.939 3.862
118 HG21 VAL 15 3HG2 VAL 15 -2.639 0.956 1.302
119 HG22 VAL 15 1HG2 VAL 15 -0.943 0.470 1.291
120 HG23 VAL 15 2HG2 VAL 15 -1.385 2.118 1.736
121 H CYS 16 H CYS 16 -4.431 -1.038 4.622
122 HA CYS 16 HA CYS 16 -5.876 -1.485 2.129
123 HB2 CYS 16 2HB CYS 16 -6.652 -2.425 4.903
124 HB3 CYS 16 1HB CYS 16 -7.551 -2.740 3.423
125 H ARG 17 H ARG 17 -7.666 -0.346 1.668
126 HA ARG 17 HA ARG 17 -8.830 1.488 3.537
127 HB2 ARG 17 2HB ARG 17 -8.370 3.497 2.163
128 HB3 ARG 17 1HB ARG 17 -6.917 2.840 2.906
129 HG2 ARG 17 2HG ARG 17 -6.244 1.848 0.807
130 HG3 ARG 17 1HG ARG 17 -7.751 2.359 0.050
131 HD2 ARG 17 2HD ARG 17 -5.912 3.829 -0.563
132 HD3 ARG 17 1HD ARG 17 -7.125 4.691 0.379
133 HE ARG 17 HE ARG 17 -5.439 4.036 2.291
134 HH11 ARG 17 1HH1 ARG 17 -4.734 5.266 -0.942
135 HH12 ARG 17 2HH1 ARG 17 -3.351 6.144 -0.480
136 HH21 ARG 17 1HH2 ARG 17 -3.532 5.291 2.947
137 HH22 ARG 17 2HH2 ARG 17 -2.675 6.158 1.755
138 H ARG 18 H ARG 18 -10.870 1.949 2.910
139 HA ARG 18 HA ARG 18 -12.796 2.038 1.731
140 HB2 ARG 18 2HB ARG 18 -11.418 3.529 0.241
141 HB3 ARG 18 1HB ARG 18 -10.977 2.135 -0.707
142 HG2 ARG 18 2HG ARG 18 -12.638 3.453 -1.874
143 HG3 ARG 18 1HG ARG 18 -13.329 1.895 -1.423
144 HD2 ARG 18 2HD ARG 18 -13.707 4.396 0.211
145 HD3 ARG 18 1HD ARG 18 -14.798 3.941 -1.094
146 HE ARG 18 HE ARG 18 -14.920 1.761 0.303
147 HH11 ARG 18 1HH1 ARG 18 -14.829 5.065 1.594
148 HH12 ARG 18 2HH1 ARG 18 -15.811 4.715 2.933
149 HH21 ARG 18 1HH2 ARG 18 -16.278 1.292 2.156
150 HH22 ARG 18 2HH2 ARG 18 -16.660 2.510 3.265
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -10.718 -1.189 3.207
2 HA2 GLY 1 2HA GLY 1 -10.960 -3.546 3.015
3 HA3 GLY 1 1HA GLY 1 -12.429 -3.286 2.090
4 H VAL 2 H VAL 2 -10.415 -1.178 0.673
5 HA VAL 2 HA VAL 2 -9.726 -3.130 -1.389
6 HB VAL 2 HB VAL 2 -9.579 -0.090 -1.457
7 HG11 VAL 2 1HG1 VAL 2 -9.313 -2.097 -3.700
8 HG12 VAL 2 2HG1 VAL 2 -8.011 -1.118 -3.020
9 HG13 VAL 2 3HG1 VAL 2 -9.338 -0.343 -3.889
10 HG21 VAL 2 3HG2 VAL 2 -11.648 -1.945 -2.636
11 HG22 VAL 2 1HG2 VAL 2 -11.576 -0.200 -2.889
12 HG23 VAL 2 2HG2 VAL 2 -11.881 -0.846 -1.277
13 H CYS 3 H CYS 3 -7.737 -3.948 -1.279
14 HA CYS 3 HA CYS 3 -5.866 -2.441 0.320
15 HB2 CYS 3 2HB CYS 3 -5.835 -5.332 -0.416
16 HB3 CYS 3 1HB CYS 3 -4.561 -4.541 0.494
17 H ARG 4 H ARG 4 -4.204 -1.575 -0.388
18 HA ARG 4 HA ARG 4 -3.394 -2.059 -3.180
19 HB2 ARG 4 2HB ARG 4 -4.235 0.233 -2.757
20 HB3 ARG 4 1HB ARG 4 -3.022 0.428 -1.494
21 HG2 ARG 4 2HG ARG 4 -2.327 1.581 -3.489
22 HG3 ARG 4 1HG ARG 4 -1.261 0.216 -3.153
23 HD2 ARG 4 2HD ARG 4 -1.770 0.339 -5.529
24 HD3 ARG 4 1HD ARG 4 -2.465 -1.123 -4.831
25 HE ARG 4 HE ARG 4 -4.062 1.305 -5.219
26 HH11 ARG 4 1HH1 ARG 4 -3.649 -2.172 -5.742
27 HH12 ARG 4 2HH1 ARG 4 -5.132 -2.355 -6.552
28 HH21 ARG 4 1HH2 ARG 4 -6.053 1.050 -6.331
29 HH22 ARG 4 2HH2 ARG 4 -6.516 -0.480 -6.947
30 H ABA 5 H ABA 5 -1.493 -3.040 -3.400
31 HA ABA 5 HA ABA 5 0.344 -3.161 -1.165
32 HB3 ABA 5 1HB ABA 5 0.539 -4.399 -3.929
33 HB2 ABA 5 2HB ABA 5 -0.135 -5.204 -2.517
34 HG1 ABA 5 3HG ABA 5 2.723 -4.304 -2.832
35 HG3 ABA 5 1HG ABA 5 2.132 -5.963 -2.955
36 HG2 ABA 5 2HG ABA 5 2.046 -5.105 -1.415
37 H VAL 6 H VAL 6 1.406 -1.289 -0.924
38 HA VAL 6 HA VAL 6 2.324 0.165 -3.259
39 HB VAL 6 HB VAL 6 2.295 0.922 -0.320
40 HG11 VAL 6 1HG1 VAL 6 2.975 2.606 -2.732
41 HG12 VAL 6 2HG1 VAL 6 4.104 2.063 -1.490
42 HG13 VAL 6 3HG1 VAL 6 2.814 3.196 -1.082
43 HG21 VAL 6 3HG2 VAL 6 0.543 1.847 -2.592
44 HG22 VAL 6 1HG2 VAL 6 0.493 2.458 -0.940
45 HG23 VAL 6 2HG2 VAL 6 0.059 0.781 -1.275
46 H CYS 7 H CYS 7 4.217 -0.620 -3.958
47 HA CYS 7 HA CYS 7 6.172 -1.375 -1.975
48 HB2 CYS 7 2HB CYS 7 6.214 -1.789 -4.979
49 HB3 CYS 7 1HB CYS 7 7.464 -2.337 -3.871
50 H ARG 8 H ARG 8 7.876 -0.226 -1.530
51 HA ARG 8 HA ARG 8 8.881 1.732 -3.367
52 HB2 ARG 8 2HB ARG 8 8.781 3.576 -1.650
53 HB3 ARG 8 1HB ARG 8 7.238 3.127 -2.356
54 HG2 ARG 8 2HG ARG 8 6.659 1.872 -0.367
55 HG3 ARG 8 1HG ARG 8 8.243 2.223 0.330
56 HD2 ARG 8 2HD ARG 8 6.214 4.308 -0.450
57 HD3 ARG 8 1HD ARG 8 6.431 3.696 1.190
58 HE ARG 8 HE ARG 8 8.895 4.491 0.541
59 HH11 ARG 8 1HH1 ARG 8 5.796 6.174 0.277
60 HH12 ARG 8 2HH1 ARG 8 6.473 7.725 0.536
61 HH21 ARG 8 1HH2 ARG 8 9.787 6.616 0.962
62 HH22 ARG 8 2HH2 ARG 8 8.750 7.969 0.946
63 H ARG 9 H ARG 9 10.981 1.774 -3.251
64 HA ARG 9 HA ARG 9 13.130 1.562 -2.596
65 HB2 ARG 9 2HB ARG 9 12.334 3.195 -0.833
66 HB3 ARG 9 1HB ARG 9 12.064 1.836 0.236
67 HG2 ARG 9 2HG ARG 9 14.118 2.911 0.842
68 HG3 ARG 9 1HG ARG 9 14.488 1.340 0.132
69 HD2 ARG 9 2HD ARG 9 15.045 2.418 -1.986
70 HD3 ARG 9 1HD ARG 9 14.625 3.987 -1.308
71 HE ARG 9 HE ARG 9 16.537 2.702 0.304
72 HH11 ARG 9 1HH1 ARG 9 16.364 4.398 -2.814
73 HH12 ARG 9 2HH1 ARG 9 17.985 4.937 -2.744
74 HH21 ARG 9 1HH2 ARG 9 18.735 3.415 0.351
75 HH22 ARG 9 2HH2 ARG 9 19.348 4.377 -0.916
76 H GLY 10 H GLY 10 11.497 -0.723 -2.939
77 HA2 GLY 10 2HA GLY 10 11.938 -3.008 -2.956
78 HA3 GLY 10 1HA GLY 10 13.273 -2.721 -1.845
79 H VAL 11 H VAL 11 10.432 -1.273 -0.760
80 HA VAL 11 HA VAL 11 9.927 -3.519 1.070
81 HB VAL 11 HB VAL 11 9.388 -0.581 1.544
82 HG11 VAL 11 1HG1 VAL 11 9.074 -1.217 3.877
83 HG12 VAL 11 2HG1 VAL 11 9.362 -2.904 3.462
84 HG13 VAL 11 3HG1 VAL 11 7.950 -2.064 2.814
85 HG21 VAL 11 3HG2 VAL 11 11.314 -0.576 3.078
86 HG22 VAL 11 1HG2 VAL 11 11.799 -0.901 1.415
87 HG23 VAL 11 2HG2 VAL 11 11.706 -2.220 2.579
88 H CYS 12 H CYS 12 7.968 -4.413 0.676
89 HA CYS 12 HA CYS 12 6.026 -2.709 -0.627
90 HB2 CYS 12 2HB CYS 12 6.064 -5.671 -0.356
91 HB3 CYS 12 1HB CYS 12 4.767 -4.775 -1.121
92 H ARG 13 H ARG 13 4.637 -1.866 0.400
93 HA ARG 13 HA ARG 13 3.782 -2.989 3.003
94 HB2 ARG 13 2HB ARG 13 5.093 -0.845 3.107
95 HB3 ARG 13 1HB ARG 13 3.791 -0.090 2.202
96 HG2 ARG 13 2HG ARG 13 3.572 0.445 4.529
97 HG3 ARG 13 1HG ARG 13 2.239 -0.593 4.007
98 HD2 ARG 13 2HD ARG 13 3.255 -2.509 5.016
99 HD3 ARG 13 1HD ARG 13 4.728 -1.623 5.379
100 HE ARG 13 HE ARG 13 2.109 -1.187 6.648
101 HH11 ARG 13 1HH1 ARG 13 5.646 -0.978 6.773
102 HH12 ARG 13 2HH1 ARG 13 5.701 -0.652 8.438
103 HH21 ARG 13 1HH2 ARG 13 2.200 -0.725 8.904
104 HH22 ARG 13 2HH2 ARG 13 3.693 -0.502 9.689
105 H ABA 14 H ABA 14 1.658 -3.431 3.135
106 HA ABA 14 HA ABA 14 -0.015 -2.623 0.906
107 HB3 ABA 14 1HB ABA 14 -0.567 -4.577 3.159
108 HB2 ABA 14 2HB ABA 14 0.025 -5.009 1.560
109 HG1 ABA 14 3HG ABA 14 -2.045 -4.216 0.558
110 HG3 ABA 14 1HG ABA 14 -2.646 -3.761 2.152
111 HG2 ABA 14 2HG ABA 14 -2.351 -5.457 1.773
112 H VAL 15 H VAL 15 -1.562 -1.165 1.093
113 HA VAL 15 HA VAL 15 -2.404 -0.406 3.769
114 HB VAL 15 HB VAL 15 -0.939 1.396 2.902
115 HG11 VAL 15 1HG1 VAL 15 -1.604 2.805 1.017
116 HG12 VAL 15 2HG1 VAL 15 -2.926 1.693 0.665
117 HG13 VAL 15 3HG1 VAL 15 -1.253 1.147 0.523
118 HG21 VAL 15 3HG2 VAL 15 -3.837 2.213 3.073
119 HG22 VAL 15 1HG2 VAL 15 -2.452 3.290 3.261
120 HG23 VAL 15 2HG2 VAL 15 -2.725 1.999 4.427
121 H CYS 16 H CYS 16 -4.448 -0.722 4.072
122 HA CYS 16 HA CYS 16 -6.062 -1.124 1.701
123 HB2 CYS 16 2HB CYS 16 -6.601 -2.047 4.528
124 HB3 CYS 16 1HB CYS 16 -7.550 -2.465 3.105
125 H ARG 17 H ARG 17 -7.832 -0.035 1.306
126 HA ARG 17 HA ARG 17 -8.672 2.013 3.246
127 HB2 ARG 17 2HB ARG 17 -8.361 2.342 0.253
128 HB3 ARG 17 1HB ARG 17 -9.184 3.487 1.288
129 HG2 ARG 17 2HG ARG 17 -7.081 3.932 2.467
130 HG3 ARG 17 1HG ARG 17 -6.259 2.773 1.411
131 HD2 ARG 17 2HD ARG 17 -6.808 4.097 -0.536
132 HD3 ARG 17 1HD ARG 17 -7.740 5.215 0.453
133 HE ARG 17 HE ARG 17 -5.119 5.120 1.421
134 HH11 ARG 17 1HH1 ARG 17 -6.873 6.257 -1.421
135 HH12 ARG 17 2HH1 ARG 17 -5.803 7.526 -1.785
136 HH21 ARG 17 1HH2 ARG 17 -3.639 6.835 0.956
137 HH22 ARG 17 2HH2 ARG 17 -3.883 7.863 -0.380
138 H ARG 18 H ARG 18 -10.569 1.287 3.873
139 HA ARG 18 HA ARG 18 -12.746 0.683 3.909
140 HB2 ARG 18 2HB ARG 18 -12.782 2.632 2.200
141 HB3 ARG 18 1HB ARG 18 -12.903 1.388 0.977
142 HG2 ARG 18 2HG ARG 18 -15.095 2.205 1.384
143 HG3 ARG 18 1HG ARG 18 -14.997 0.599 2.110
144 HD2 ARG 18 2HD ARG 18 -16.141 2.228 3.574
145 HD3 ARG 18 1HD ARG 18 -14.677 1.585 4.313
146 HE ARG 18 HE ARG 18 -13.572 3.686 3.546
147 HH11 ARG 18 1HH1 ARG 18 -17.056 3.710 4.112
148 HH12 ARG 18 2HH1 ARG 18 -17.119 5.378 4.422
149 HH21 ARG 18 1HH2 ARG 18 -13.651 5.895 3.966
150 HH22 ARG 18 2HH2 ARG 18 -15.115 6.685 4.349
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -11.673 -1.398 2.668
2 HA2 GLY 1 2HA GLY 1 -12.096 -3.584 2.031
3 HA3 GLY 1 1HA GLY 1 -13.187 -2.994 0.790
4 H VAL 2 H VAL 2 -10.432 -1.221 0.423
5 HA VAL 2 HA VAL 2 -9.533 -3.044 -1.686
6 HB VAL 2 HB VAL 2 -9.221 -0.028 -1.514
7 HG11 VAL 2 1HG1 VAL 2 -7.422 -1.058 -2.779
8 HG12 VAL 2 2HG1 VAL 2 -8.495 -0.164 -3.862
9 HG13 VAL 2 3HG1 VAL 2 -8.591 -1.924 -3.774
10 HG21 VAL 2 3HG2 VAL 2 -10.881 0.085 -3.329
11 HG22 VAL 2 1HG2 VAL 2 -11.557 -0.628 -1.862
12 HG23 VAL 2 2HG2 VAL 2 -11.104 -1.662 -3.218
13 H CYS 3 H CYS 3 -7.520 -3.832 -1.483
14 HA CYS 3 HA CYS 3 -5.897 -2.582 0.561
15 HB2 CYS 3 2HB CYS 3 -5.686 -5.313 -0.608
16 HB3 CYS 3 1HB CYS 3 -4.574 -4.664 0.585
17 H ARG 4 H ARG 4 -4.451 -1.430 0.013
18 HA ARG 4 HA ARG 4 -3.400 -1.458 -2.742
19 HB2 ARG 4 2HB ARG 4 -4.398 0.674 -1.838
20 HB3 ARG 4 1HB ARG 4 -3.110 0.688 -0.639
21 HG2 ARG 4 2HG ARG 4 -2.526 2.192 -2.384
22 HG3 ARG 4 1HG ARG 4 -1.460 0.784 -2.432
23 HD2 ARG 4 2HD ARG 4 -2.166 1.412 -4.693
24 HD3 ARG 4 1HD ARG 4 -2.825 -0.165 -4.264
25 HE ARG 4 HE ARG 4 -4.609 1.894 -3.564
26 HH11 ARG 4 1HH1 ARG 4 -3.495 0.069 -6.399
27 HH12 ARG 4 2HH1 ARG 4 -4.882 0.401 -7.325
28 HH21 ARG 4 1HH2 ARG 4 -6.516 2.349 -4.844
29 HH22 ARG 4 2HH2 ARG 4 -6.633 1.717 -6.427
30 H ABA 5 H ABA 5 -1.367 -2.116 -3.069
31 HA ABA 5 HA ABA 5 0.487 -2.106 -0.818
32 HB3 ABA 5 1HB ABA 5 0.184 -4.236 -2.944
33 HB2 ABA 5 2HB ABA 5 -0.254 -4.409 -1.247
34 HG1 ABA 5 3HG ABA 5 1.871 -5.490 -1.770
35 HG3 ABA 5 1HG ABA 5 2.079 -4.179 -0.602
36 HG2 ABA 5 2HG ABA 5 2.528 -3.939 -2.289
37 H VAL 6 H VAL 6 1.853 -0.534 -1.316
38 HA VAL 6 HA VAL 6 2.867 -0.465 -4.058
39 HB VAL 6 HB VAL 6 3.529 1.875 -3.689
40 HG11 VAL 6 1HG1 VAL 6 0.603 1.398 -3.154
41 HG12 VAL 6 2HG1 VAL 6 1.387 1.490 -4.733
42 HG13 VAL 6 3HG1 VAL 6 1.296 2.921 -3.707
43 HG21 VAL 6 3HG2 VAL 6 2.105 1.660 -1.028
44 HG22 VAL 6 1HG2 VAL 6 2.708 3.158 -1.741
45 HG23 VAL 6 2HG2 VAL 6 3.834 1.882 -1.273
46 H CYS 7 H CYS 7 5.110 -0.510 -4.299
47 HA CYS 7 HA CYS 7 6.445 -1.029 -1.778
48 HB2 CYS 7 2HB CYS 7 7.192 -2.246 -4.456
49 HB3 CYS 7 1HB CYS 7 7.891 -2.628 -2.889
50 H ARG 8 H ARG 8 8.267 -0.042 -1.288
51 HA ARG 8 HA ARG 8 9.208 1.945 -3.236
52 HB2 ARG 8 2HB ARG 8 8.996 2.300 -0.250
53 HB3 ARG 8 1HB ARG 8 9.531 3.506 -1.409
54 HG2 ARG 8 2HG ARG 8 7.276 3.511 -2.400
55 HG3 ARG 8 1HG ARG 8 6.756 2.360 -1.168
56 HD2 ARG 8 2HD ARG 8 6.113 4.557 -0.468
57 HD3 ARG 8 1HD ARG 8 7.432 4.012 0.563
58 HE ARG 8 HE ARG 8 8.439 5.451 -1.640
59 HH11 ARG 8 1HH1 ARG 8 6.963 5.900 1.536
60 HH12 ARG 8 2HH1 ARG 8 7.355 7.549 1.643
61 HH21 ARG 8 1HH2 ARG 8 8.998 7.723 -1.499
62 HH22 ARG 8 2HH2 ARG 8 8.503 8.604 -0.132
63 H ARG 9 H ARG 9 11.114 1.265 -3.813
64 HA ARG 9 HA ARG 9 13.241 0.541 -3.830
65 HB2 ARG 9 2HB ARG 9 13.445 2.387 -2.043
66 HB3 ARG 9 1HB ARG 9 13.341 1.102 -0.849
67 HG2 ARG 9 2HG ARG 9 15.635 1.567 -1.095
68 HG3 ARG 9 1HG ARG 9 15.339 0.070 -1.977
69 HD2 ARG 9 2HD ARG 9 15.138 1.426 -4.067
70 HD3 ARG 9 1HD ARG 9 15.641 2.834 -3.132
71 HE ARG 9 HE ARG 9 17.243 0.419 -3.468
72 HH11 ARG 9 1HH1 ARG 9 17.086 3.977 -3.224
73 HH12 ARG 9 2HH1 ARG 9 18.755 4.170 -3.499
74 HH21 ARG 9 1HH2 ARG 9 19.510 0.744 -3.832
75 HH22 ARG 9 2HH2 ARG 9 20.127 2.341 -3.825
76 H GLY 10 H GLY 10 11.077 -1.210 -3.351
77 HA2 GLY 10 2HA GLY 10 11.101 -3.559 -3.341
78 HA3 GLY 10 1HA GLY 10 12.577 -3.516 -2.386
79 H VAL 11 H VAL 11 10.821 -1.359 -0.794
80 HA VAL 11 HA VAL 11 9.968 -3.410 1.099
81 HB VAL 11 HB VAL 11 10.261 -0.414 1.525
82 HG11 VAL 11 1HG1 VAL 11 8.621 -1.414 3.034
83 HG12 VAL 11 2HG1 VAL 11 10.084 -0.952 3.912
84 HG13 VAL 11 3HG1 VAL 11 9.795 -2.643 3.509
85 HG21 VAL 11 3HG2 VAL 11 12.420 -1.485 1.123
86 HG22 VAL 11 1HG2 VAL 11 12.061 -2.680 2.371
87 HG23 VAL 11 2HG2 VAL 11 12.269 -0.986 2.811
88 H CYS 12 H CYS 12 7.947 -3.981 1.018
89 HA CYS 12 HA CYS 12 6.125 -2.272 -0.373
90 HB2 CYS 12 2HB CYS 12 5.793 -5.094 0.562
91 HB3 CYS 12 1HB CYS 12 4.625 -4.200 -0.404
92 H ARG 13 H ARG 13 4.601 -1.230 0.363
93 HA ARG 13 HA ARG 13 3.821 -1.458 3.184
94 HB2 ARG 13 2HB ARG 13 4.587 0.792 2.586
95 HB3 ARG 13 1HB ARG 13 3.537 0.804 1.180
96 HG2 ARG 13 2HG ARG 13 2.611 2.190 2.908
97 HG3 ARG 13 1HG ARG 13 1.585 0.783 2.629
98 HD2 ARG 13 2HD ARG 13 1.757 1.162 5.004
99 HD3 ARG 13 1HD ARG 13 2.653 -0.303 4.600
100 HE ARG 13 HE ARG 13 4.069 2.221 4.762
101 HH11 ARG 13 1HH1 ARG 13 3.465 -0.973 6.173
102 HH12 ARG 13 2HH1 ARG 13 4.740 -0.853 7.308
103 HH21 ARG 13 1HH2 ARG 13 5.808 2.341 6.337
104 HH22 ARG 13 2HH2 ARG 13 6.092 1.032 7.378
105 H ABA 14 H ABA 14 1.923 -2.475 3.471
106 HA ABA 14 HA ABA 14 -0.009 -2.458 1.271
107 HB3 ABA 14 1HB ABA 14 0.461 -4.605 3.358
108 HB2 ABA 14 2HB ABA 14 0.962 -4.707 1.676
109 HG1 ABA 14 3HG ABA 14 -1.381 -4.654 0.967
110 HG3 ABA 14 1HG ABA 14 -1.884 -4.567 2.655
111 HG2 ABA 14 2HG ABA 14 -1.051 -6.002 2.055
112 H VAL 15 H VAL 15 -1.734 -1.329 1.752
113 HA VAL 15 HA VAL 15 -2.625 -1.265 4.517
114 HB VAL 15 HB VAL 15 -1.426 0.863 4.070
115 HG11 VAL 15 1HG1 VAL 15 -3.478 1.343 1.923
116 HG12 VAL 15 2HG1 VAL 15 -1.755 1.067 1.685
117 HG13 VAL 15 3HG1 VAL 15 -2.303 2.524 2.507
118 HG21 VAL 15 3HG2 VAL 15 -3.257 0.873 5.650
119 HG22 VAL 15 1HG2 VAL 15 -4.404 1.196 4.353
120 HG23 VAL 15 2HG2 VAL 15 -3.196 2.408 4.779
121 H CYS 16 H CYS 16 -4.764 -1.578 4.725
122 HA CYS 16 HA CYS 16 -6.243 -1.693 2.232
123 HB2 CYS 16 2HB CYS 16 -6.866 -3.081 4.845
124 HB3 CYS 16 1HB CYS 16 -7.796 -3.229 3.360
125 H ARG 17 H ARG 17 -8.046 -0.573 1.929
126 HA ARG 17 HA ARG 17 -9.288 0.810 4.100
127 HB2 ARG 17 2HB ARG 17 -9.005 3.054 2.990
128 HB3 ARG 17 1HB ARG 17 -7.569 2.399 3.763
129 HG2 ARG 17 2HG ARG 17 -6.739 1.681 1.564
130 HG3 ARG 17 1HG ARG 17 -8.165 2.386 0.804
131 HD2 ARG 17 2HD ARG 17 -6.208 3.873 0.690
132 HD3 ARG 17 1HD ARG 17 -7.547 4.580 1.596
133 HE ARG 17 HE ARG 17 -6.045 3.380 3.505
134 HH11 ARG 17 1HH1 ARG 17 -5.269 5.715 0.972
135 HH12 ARG 17 2HH1 ARG 17 -4.123 6.553 1.887
136 HH21 ARG 17 1HH2 ARG 17 -4.468 4.488 4.767
137 HH22 ARG 17 2HH2 ARG 17 -3.614 5.815 4.107
138 H ARG 18 H ARG 18 -11.338 0.931 3.757
139 HA ARG 18 HA ARG 18 -13.389 0.839 2.825
140 HB2 ARG 18 2HB ARG 18 -12.528 2.959 1.750
141 HB3 ARG 18 1HB ARG 18 -12.057 2.007 0.358
142 HG2 ARG 18 2HG ARG 18 -14.410 1.435 -0.030
143 HG3 ARG 18 1HG ARG 18 -14.863 2.402 1.372
144 HD2 ARG 18 2HD ARG 18 -13.935 4.389 0.316
145 HD3 ARG 18 1HD ARG 18 -13.454 3.427 -1.083
146 HE ARG 18 HE ARG 18 -16.064 2.941 -0.954
147 HH11 ARG 18 1HH1 ARG 18 -14.299 6.022 -0.835
148 HH12 ARG 18 2HH1 ARG 18 -15.547 6.916 -1.564
149 HH21 ARG 18 1HH2 ARG 18 -17.749 4.184 -1.986
150 HH22 ARG 18 2HH2 ARG 18 -17.534 5.861 -2.219
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -10.592 -1.279 3.243
2 HA2 GLY 1 2HA GLY 1 -11.474 -3.521 2.948
3 HA3 GLY 1 1HA GLY 1 -12.768 -2.823 1.996
4 H VAL 2 H VAL 2 -10.304 -1.152 0.729
5 HA VAL 2 HA VAL 2 -9.811 -3.252 -1.263
6 HB VAL 2 HB VAL 2 -9.602 -0.229 -1.570
7 HG11 VAL 2 1HG1 VAL 2 -9.346 -0.683 -3.974
8 HG12 VAL 2 2HG1 VAL 2 -9.352 -2.415 -3.639
9 HG13 VAL 2 3HG1 VAL 2 -8.042 -1.404 -3.028
10 HG21 VAL 2 3HG2 VAL 2 -11.594 -0.373 -2.961
11 HG22 VAL 2 1HG2 VAL 2 -11.921 -0.996 -1.345
12 HG23 VAL 2 2HG2 VAL 2 -11.677 -2.116 -2.686
13 H CYS 3 H CYS 3 -7.834 -4.097 -1.122
14 HA CYS 3 HA CYS 3 -5.891 -2.515 0.310
15 HB2 CYS 3 2HB CYS 3 -5.871 -5.441 -0.307
16 HB3 CYS 3 1HB CYS 3 -4.566 -4.608 0.517
17 H ARG 4 H ARG 4 -4.130 -1.760 -0.439
18 HA ARG 4 HA ARG 4 -3.405 -2.282 -3.256
19 HB2 ARG 4 2HB ARG 4 -4.309 0.035 -2.677
20 HB3 ARG 4 1HB ARG 4 -2.930 0.200 -1.605
21 HG2 ARG 4 2HG ARG 4 -2.386 1.396 -3.522
22 HG3 ARG 4 1HG ARG 4 -1.459 -0.100 -3.556
23 HD2 ARG 4 2HD ARG 4 -4.043 0.354 -5.071
24 HD3 ARG 4 1HD ARG 4 -2.448 0.576 -5.776
25 HE ARG 4 HE ARG 4 -2.271 -1.936 -4.982
26 HH11 ARG 4 1HH1 ARG 4 -4.888 -0.336 -6.753
27 HH12 ARG 4 2HH1 ARG 4 -5.420 -1.789 -7.498
28 HH21 ARG 4 1HH2 ARG 4 -3.012 -3.852 -5.979
29 HH22 ARG 4 2HH2 ARG 4 -4.347 -3.835 -7.045
30 H ABA 5 H ABA 5 -1.459 -3.367 -3.355
31 HA ABA 5 HA ABA 5 0.382 -3.131 -1.104
32 HB3 ABA 5 1HB ABA 5 1.527 -5.090 -2.159
33 HB2 ABA 5 2HB ABA 5 0.292 -5.094 -3.409
34 HG1 ABA 5 3HG ABA 5 -0.163 -6.788 -1.752
35 HG3 ABA 5 1HG ABA 5 -1.417 -5.549 -1.725
36 HG2 ABA 5 2HG ABA 5 -0.165 -5.570 -0.480
37 H VAL 6 H VAL 6 1.378 -1.240 -1.466
38 HA VAL 6 HA VAL 6 2.591 -0.867 -4.099
39 HB VAL 6 HB VAL 6 1.072 0.953 -3.391
40 HG11 VAL 6 1HG1 VAL 6 1.655 2.479 -1.566
41 HG12 VAL 6 2HG1 VAL 6 2.973 1.401 -1.103
42 HG13 VAL 6 3HG1 VAL 6 1.304 0.845 -0.997
43 HG21 VAL 6 3HG2 VAL 6 2.586 2.853 -3.798
44 HG22 VAL 6 1HG2 VAL 6 2.894 1.504 -4.890
45 HG23 VAL 6 2HG2 VAL 6 3.967 1.789 -3.525
46 H CYS 7 H CYS 7 4.788 -0.670 -4.282
47 HA CYS 7 HA CYS 7 6.204 -1.230 -1.807
48 HB2 CYS 7 2HB CYS 7 7.158 -1.824 -4.612
49 HB3 CYS 7 1HB CYS 7 7.881 -2.380 -3.105
50 H ARG 8 H ARG 8 7.908 -0.146 -1.174
51 HA ARG 8 HA ARG 8 8.764 2.139 -2.736
52 HB2 ARG 8 2HB ARG 8 8.596 3.575 -0.697
53 HB3 ARG 8 1HB ARG 8 7.054 3.088 -1.373
54 HG2 ARG 8 2HG ARG 8 6.876 1.343 0.382
55 HG3 ARG 8 1HG ARG 8 8.383 1.938 1.079
56 HD2 ARG 8 2HD ARG 8 6.411 2.839 2.239
57 HD3 ARG 8 1HD ARG 8 7.366 4.113 1.481
58 HE ARG 8 HE ARG 8 5.540 3.514 -0.407
59 HH11 ARG 8 1HH1 ARG 8 5.187 4.369 3.029
60 HH12 ARG 8 2HH1 ARG 8 3.713 5.168 2.826
61 HH21 ARG 8 1HH2 ARG 8 3.481 4.587 -0.686
62 HH22 ARG 8 2HH2 ARG 8 2.690 5.281 0.643
63 H ARG 9 H ARG 9 10.854 2.202 -2.777
64 HA ARG 9 HA ARG 9 13.047 1.828 -2.387
65 HB2 ARG 9 2HB ARG 9 12.526 3.226 -0.372
66 HB3 ARG 9 1HB ARG 9 12.237 1.761 0.541
67 HG2 ARG 9 2HG ARG 9 14.569 1.135 0.313
68 HG3 ARG 9 1HG ARG 9 14.880 2.560 -0.682
69 HD2 ARG 9 2HD ARG 9 14.242 3.997 1.162
70 HD3 ARG 9 1HD ARG 9 13.910 2.588 2.171
71 HE ARG 9 HE ARG 9 16.482 2.251 1.419
72 HH11 ARG 9 1HH1 ARG 9 14.726 4.886 2.966
73 HH12 ARG 9 2HH1 ARG 9 16.063 5.512 3.803
74 HH21 ARG 9 1HH2 ARG 9 18.350 3.065 2.607
75 HH22 ARG 9 2HH2 ARG 9 18.182 4.428 3.604
76 H GLY 10 H GLY 10 11.221 -0.330 -2.752
77 HA2 GLY 10 2HA GLY 10 11.684 -2.572 -3.217
78 HA3 GLY 10 1HA GLY 10 13.047 -2.497 -2.112
79 H VAL 11 H VAL 11 10.497 -1.170 -0.448
80 HA VAL 11 HA VAL 11 9.928 -3.749 0.821
81 HB VAL 11 HB VAL 11 9.761 -0.931 1.964
82 HG11 VAL 11 1HG1 VAL 11 9.258 -1.999 4.115
83 HG12 VAL 11 2HG1 VAL 11 9.247 -3.577 3.332
84 HG13 VAL 11 3HG1 VAL 11 8.018 -2.382 2.916
85 HG21 VAL 11 3HG2 VAL 11 11.640 -3.205 2.576
86 HG22 VAL 11 1HG2 VAL 11 11.581 -1.667 3.435
87 HG23 VAL 11 2HG2 VAL 11 12.047 -1.713 1.731
88 H CYS 12 H CYS 12 7.879 -4.459 0.738
89 HA CYS 12 HA CYS 12 6.041 -2.686 -0.607
90 HB2 CYS 12 2HB CYS 12 5.821 -5.656 -0.211
91 HB3 CYS 12 1HB CYS 12 4.708 -4.658 -1.133
92 H ARG 13 H ARG 13 4.323 -1.909 0.154
93 HA ARG 13 HA ARG 13 3.646 -2.553 2.928
94 HB2 ARG 13 2HB ARG 13 4.796 -0.353 2.612
95 HB3 ARG 13 1HB ARG 13 3.490 0.141 1.554
96 HG2 ARG 13 2HG ARG 13 3.255 1.100 3.759
97 HG3 ARG 13 1HG ARG 13 1.920 0.011 3.387
98 HD2 ARG 13 2HD ARG 13 2.905 -1.734 4.719
99 HD3 ARG 13 1HD ARG 13 4.350 -0.767 5.008
100 HE ARG 13 HE ARG 13 2.772 0.812 6.155
101 HH11 ARG 13 1HH1 ARG 13 2.143 -2.688 6.049
102 HH12 ARG 13 2HH1 ARG 13 1.276 -2.697 7.511
103 HH21 ARG 13 1HH2 ARG 13 1.598 0.778 8.134
104 HH22 ARG 13 2HH2 ARG 13 0.960 -0.675 8.749
105 H ABA 14 H ABA 14 1.649 -3.261 3.164
106 HA ABA 14 HA ABA 14 -0.250 -3.009 0.986
107 HB3 ABA 14 1HB ABA 14 -0.379 -4.652 3.526
108 HB2 ABA 14 2HB ABA 14 0.175 -5.251 1.967
109 HG1 ABA 14 3HG ABA 14 -2.047 -4.879 1.024
110 HG3 ABA 14 1HG ABA 14 -2.607 -4.279 2.586
111 HG2 ABA 14 2HG ABA 14 -2.105 -5.962 2.414
112 H VAL 15 H VAL 15 -1.206 -1.122 1.078
113 HA VAL 15 HA VAL 15 -2.236 -0.101 3.631
114 HB VAL 15 HB VAL 15 -2.025 1.273 0.926
115 HG11 VAL 15 1HG1 VAL 15 -2.505 3.342 2.143
116 HG12 VAL 15 2HG1 VAL 15 -2.694 2.420 3.635
117 HG13 VAL 15 3HG1 VAL 15 -3.824 2.178 2.298
118 HG21 VAL 15 3HG2 VAL 15 0.198 0.856 1.843
119 HG22 VAL 15 1HG2 VAL 15 -0.276 1.601 3.370
120 HG23 VAL 15 2HG2 VAL 15 -0.178 2.575 1.899
121 H CYS 16 H CYS 16 -4.382 -0.452 3.969
122 HA CYS 16 HA CYS 16 -5.947 -1.091 1.594
123 HB2 CYS 16 2HB CYS 16 -6.496 -1.904 4.456
124 HB3 CYS 16 1HB CYS 16 -7.449 -2.366 3.050
125 H ARG 17 H ARG 17 -7.668 0.082 1.082
126 HA ARG 17 HA ARG 17 -8.369 2.132 3.037
127 HB2 ARG 17 2HB ARG 17 -9.020 3.638 1.194
128 HB3 ARG 17 1HB ARG 17 -7.330 3.195 1.083
129 HG2 ARG 17 2HG ARG 17 -7.801 1.684 -0.739
130 HG3 ARG 17 1HG ARG 17 -9.535 1.946 -0.552
131 HD2 ARG 17 2HD ARG 17 -8.777 3.265 -2.399
132 HD3 ARG 17 1HD ARG 17 -9.169 4.347 -1.065
133 HE ARG 17 HE ARG 17 -6.399 3.522 -1.348
134 HH11 ARG 17 1HH1 ARG 17 -8.788 6.124 -1.732
135 HH12 ARG 17 2HH1 ARG 17 -7.629 7.304 -2.154
136 HH21 ARG 17 1HH2 ARG 17 -4.848 5.136 -1.913
137 HH22 ARG 17 2HH2 ARG 17 -5.305 6.732 -2.267
138 H ARG 18 H ARG 18 -10.052 1.515 3.987
139 HA ARG 18 HA ARG 18 -12.063 0.668 4.521
140 HB2 ARG 18 2HB ARG 18 -12.490 2.906 3.448
141 HB3 ARG 18 1HB ARG 18 -12.941 2.056 1.984
142 HG2 ARG 18 2HG ARG 18 -14.788 1.016 3.128
143 HG3 ARG 18 1HG ARG 18 -14.300 1.757 4.655
144 HD2 ARG 18 2HD ARG 18 -14.642 3.973 3.653
145 HD3 ARG 18 1HD ARG 18 -15.189 3.198 2.164
146 HE ARG 18 HE ARG 18 -16.593 2.383 4.531
147 HH11 ARG 18 1HH1 ARG 18 -16.528 4.722 1.881
148 HH12 ARG 18 2HH1 ARG 18 -18.176 5.145 2.034
149 HH21 ARG 18 1HH2 ARG 18 -18.813 2.936 4.732
150 HH22 ARG 18 2HH2 ARG 18 -19.514 4.090 3.667
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -11.467 -0.757 2.623
2 HA2 GLY 1 2HA GLY 1 -12.118 -2.968 2.510
3 HA3 GLY 1 1HA GLY 1 -13.162 -2.569 1.162
4 H VAL 2 H VAL 2 -10.139 -1.295 0.488
5 HA VAL 2 HA VAL 2 -9.443 -3.752 -0.956
6 HB VAL 2 HB VAL 2 -9.111 -0.899 -1.958
7 HG11 VAL 2 1HG1 VAL 2 -8.426 -3.515 -3.307
8 HG12 VAL 2 2HG1 VAL 2 -7.271 -2.331 -2.697
9 HG13 VAL 2 3HG1 VAL 2 -8.323 -1.918 -4.053
10 HG21 VAL 2 3HG2 VAL 2 -11.427 -1.668 -2.079
11 HG22 VAL 2 1HG2 VAL 2 -10.910 -3.113 -2.946
12 HG23 VAL 2 2HG2 VAL 2 -10.730 -1.527 -3.694
13 H CYS 3 H CYS 3 -7.475 -4.496 -0.514
14 HA CYS 3 HA CYS 3 -5.692 -2.679 0.848
15 HB2 CYS 3 2HB CYS 3 -5.587 -5.662 0.647
16 HB3 CYS 3 1HB CYS 3 -4.395 -4.684 1.477
17 H ARG 4 H ARG 4 -4.124 -1.900 -0.036
18 HA ARG 4 HA ARG 4 -3.225 -2.930 -2.672
19 HB2 ARG 4 2HB ARG 4 -4.486 -0.736 -2.695
20 HB3 ARG 4 1HB ARG 4 -3.210 -0.091 -1.677
21 HG2 ARG 4 2HG ARG 4 -2.789 0.680 -3.846
22 HG3 ARG 4 1HG ARG 4 -1.603 -0.562 -3.474
23 HD2 ARG 4 2HD ARG 4 -4.127 -1.087 -5.050
24 HD3 ARG 4 1HD ARG 4 -2.617 -0.619 -5.813
25 HE ARG 4 HE ARG 4 -1.692 -2.705 -4.768
26 HH11 ARG 4 1HH1 ARG 4 -5.158 -2.492 -5.561
27 HH12 ARG 4 2HH1 ARG 4 -5.288 -4.146 -5.926
28 HH21 ARG 4 1HH2 ARG 4 -1.924 -4.956 -5.264
29 HH22 ARG 4 2HH2 ARG 4 -3.423 -5.577 -5.756
30 H ABA 5 H ABA 5 -1.160 -3.713 -2.507
31 HA ABA 5 HA ABA 5 0.537 -2.711 -0.404
32 HB3 ABA 5 1HB ABA 5 2.246 -4.273 -1.383
33 HB2 ABA 5 2HB ABA 5 1.047 -4.761 -2.577
34 HG1 ABA 5 3HG ABA 5 0.857 -5.126 0.402
35 HG3 ABA 5 1HG ABA 5 1.153 -6.382 -0.796
36 HG2 ABA 5 2HG ABA 5 -0.407 -5.555 -0.746
37 H VAL 6 H VAL 6 1.634 -0.984 -0.581
38 HA VAL 6 HA VAL 6 2.336 -0.007 -3.238
39 HB VAL 6 HB VAL 6 2.779 2.194 -2.167
40 HG11 VAL 6 1HG1 VAL 6 0.460 2.801 -1.652
41 HG12 VAL 6 2HG1 VAL 6 0.050 1.088 -1.531
42 HG13 VAL 6 3HG1 VAL 6 0.570 1.766 -3.075
43 HG21 VAL 6 3HG2 VAL 6 3.400 1.442 0.083
44 HG22 VAL 6 1HG2 VAL 6 1.748 0.899 0.367
45 HG23 VAL 6 2HG2 VAL 6 2.089 2.619 0.165
46 H CYS 7 H CYS 7 4.407 0.048 -3.855
47 HA CYS 7 HA CYS 7 6.191 -1.076 -1.889
48 HB2 CYS 7 2HB CYS 7 6.536 -1.046 -4.899
49 HB3 CYS 7 1HB CYS 7 7.517 -1.940 -3.742
50 H ARG 8 H ARG 8 7.696 -0.044 -1.042
51 HA ARG 8 HA ARG 8 8.642 2.499 -2.168
52 HB2 ARG 8 2HB ARG 8 7.927 1.857 0.709
53 HB3 ARG 8 1HB ARG 8 8.714 3.335 0.183
54 HG2 ARG 8 2HG ARG 8 6.762 4.006 -1.048
55 HG3 ARG 8 1HG ARG 8 5.986 2.454 -0.742
56 HD2 ARG 8 2HD ARG 8 5.095 4.195 0.723
57 HD3 ARG 8 1HD ARG 8 5.921 2.943 1.642
58 HE ARG 8 HE ARG 8 7.716 5.016 1.080
59 HH11 ARG 8 1HH1 ARG 8 4.824 4.450 3.061
60 HH12 ARG 8 2HH1 ARG 8 5.298 5.500 4.305
61 HH21 ARG 8 1HH2 ARG 8 8.318 6.536 2.785
62 HH22 ARG 8 2HH2 ARG 8 7.286 6.739 4.125
63 H ARG 9 H ARG 9 10.765 2.394 -2.433
64 HA ARG 9 HA ARG 9 12.931 1.808 -2.327
65 HB2 ARG 9 2HB ARG 9 12.591 2.516 0.119
66 HB3 ARG 9 1HB ARG 9 12.397 0.813 0.483
67 HG2 ARG 9 2HG ARG 9 14.693 0.420 -0.388
68 HG3 ARG 9 1HG ARG 9 14.876 2.167 -0.560
69 HD2 ARG 9 2HD ARG 9 14.339 0.653 1.987
70 HD3 ARG 9 1HD ARG 9 15.846 1.442 1.521
71 HE ARG 9 HE ARG 9 13.994 3.417 1.429
72 HH11 ARG 9 1HH1 ARG 9 15.078 1.189 3.945
73 HH12 ARG 9 2HH1 ARG 9 14.667 2.209 5.244
74 HH21 ARG 9 1HH2 ARG 9 13.447 4.831 3.194
75 HH22 ARG 9 2HH2 ARG 9 13.732 4.331 4.806
76 H GLY 10 H GLY 10 10.909 0.003 -3.188
77 HA2 GLY 10 2HA GLY 10 10.944 -2.096 -4.185
78 HA3 GLY 10 1HA GLY 10 12.513 -2.366 -3.440
79 H VAL 11 H VAL 11 10.242 -1.378 -1.139
80 HA VAL 11 HA VAL 11 9.803 -4.153 -0.298
81 HB VAL 11 HB VAL 11 9.820 -1.619 1.378
82 HG11 VAL 11 1HG1 VAL 11 9.825 -3.129 3.311
83 HG12 VAL 11 2HG1 VAL 11 9.699 -4.512 2.220
84 HG13 VAL 11 3HG1 VAL 11 8.386 -3.340 2.314
85 HG21 VAL 11 3HG2 VAL 11 12.058 -2.114 0.567
86 HG22 VAL 11 1HG2 VAL 11 11.930 -3.764 1.178
87 HG23 VAL 11 2HG2 VAL 11 11.950 -2.397 2.303
88 H CYS 12 H CYS 12 7.674 -4.749 -0.132
89 HA CYS 12 HA CYS 12 5.817 -2.642 -0.860
90 HB2 CYS 12 2HB CYS 12 5.439 -5.584 -1.056
91 HB3 CYS 12 1HB CYS 12 4.335 -4.359 -1.668
92 H ARG 13 H ARG 13 4.668 -1.838 0.412
93 HA ARG 13 HA ARG 13 4.051 -3.091 3.022
94 HB2 ARG 13 2HB ARG 13 5.332 -1.019 3.168
95 HB3 ARG 13 1HB ARG 13 4.167 -0.195 2.157
96 HG2 ARG 13 2HG ARG 13 3.977 0.451 4.470
97 HG3 ARG 13 1HG ARG 13 2.503 -0.340 3.902
98 HD2 ARG 13 2HD ARG 13 3.173 -2.387 5.036
99 HD3 ARG 13 1HD ARG 13 4.693 -1.634 5.533
100 HE ARG 13 HE ARG 13 3.188 0.025 6.711
101 HH11 ARG 13 1HH1 ARG 13 2.225 -3.369 6.307
102 HH12 ARG 13 2HH1 ARG 13 1.290 -3.404 7.721
103 HH21 ARG 13 1HH2 ARG 13 1.907 -0.038 8.620
104 HH22 ARG 13 2HH2 ARG 13 1.107 -1.477 9.079
105 H ABA 14 H ABA 14 1.977 -3.600 3.478
106 HA ABA 14 HA ABA 14 -0.045 -3.146 1.487
107 HB3 ABA 14 1HB ABA 14 -0.195 -4.554 4.164
108 HB2 ABA 14 2HB ABA 14 0.172 -5.330 2.632
109 HG1 ABA 14 3HG ABA 14 -2.053 -4.751 1.800
110 HG3 ABA 14 1HG ABA 14 -2.423 -3.981 3.343
111 HG2 ABA 14 2HG ABA 14 -2.132 -5.721 3.273
112 H VAL 15 H VAL 15 -1.379 -1.484 1.452
113 HA VAL 15 HA VAL 15 -2.110 -0.192 3.979
114 HB VAL 15 HB VAL 15 -1.933 1.131 1.242
115 HG11 VAL 15 1HG1 VAL 15 -2.310 3.226 2.465
116 HG12 VAL 15 2HG1 VAL 15 -2.486 2.315 3.961
117 HG13 VAL 15 3HG1 VAL 15 -3.654 2.100 2.656
118 HG21 VAL 15 3HG2 VAL 15 0.306 0.655 2.110
119 HG22 VAL 15 1HG2 VAL 15 -0.092 1.470 3.621
120 HG23 VAL 15 2HG2 VAL 15 -0.013 2.388 2.115
121 H CYS 16 H CYS 16 -4.219 -0.454 4.379
122 HA CYS 16 HA CYS 16 -5.871 -1.304 2.149
123 HB2 CYS 16 2HB CYS 16 -6.332 -1.711 5.114
124 HB3 CYS 16 1HB CYS 16 -7.376 -2.310 3.831
125 H ARG 17 H ARG 17 -7.666 -0.245 1.550
126 HA ARG 17 HA ARG 17 -8.725 1.875 3.178
127 HB2 ARG 17 2HB ARG 17 -8.473 3.565 1.321
128 HB3 ARG 17 1HB ARG 17 -6.993 3.129 2.160
129 HG2 ARG 17 2HG ARG 17 -6.382 1.642 0.312
130 HG3 ARG 17 1HG ARG 17 -7.868 2.082 -0.527
131 HD2 ARG 17 2HD ARG 17 -5.885 3.295 -1.342
132 HD3 ARG 17 1HD ARG 17 -7.141 4.364 -0.721
133 HE ARG 17 HE ARG 17 -5.738 4.361 1.388
134 HH11 ARG 17 1HH1 ARG 17 -4.229 3.996 -1.817
135 HH12 ARG 17 2HH1 ARG 17 -2.766 4.732 -1.309
136 HH21 ARG 17 1HH2 ARG 17 -3.776 5.370 1.992
137 HH22 ARG 17 2HH2 ARG 17 -2.484 5.497 0.875
138 H ARG 18 H ARG 18 -10.830 1.902 2.971
139 HA ARG 18 HA ARG 18 -12.935 1.517 2.314
140 HB2 ARG 18 2HB ARG 18 -12.297 3.375 0.770
141 HB3 ARG 18 1HB ARG 18 -11.871 2.191 -0.447
142 HG2 ARG 18 2HG ARG 18 -14.203 1.452 -0.561
143 HG3 ARG 18 1HG ARG 18 -14.634 2.604 0.698
144 HD2 ARG 18 2HD ARG 18 -13.456 3.340 -1.980
145 HD3 ARG 18 1HD ARG 18 -15.172 3.409 -1.593
146 HE ARG 18 HE ARG 18 -13.637 4.877 0.279
147 HH11 ARG 18 1HH1 ARG 18 -14.815 5.124 -3.041
148 HH12 ARG 18 2HH1 ARG 18 -14.975 6.819 -2.995
149 HH21 ARG 18 1HH2 ARG 18 -13.794 7.149 0.317
150 HH22 ARG 18 2HH2 ARG 18 -14.371 8.009 -1.040
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -11.096 -0.758 3.307
2 HA2 GLY 1 2HA GLY 1 -11.834 -2.935 2.910
3 HA3 GLY 1 1HA GLY 1 -13.051 -2.289 1.833
4 H VAL 2 H VAL 2 -10.248 -0.851 0.877
5 HA VAL 2 HA VAL 2 -9.823 -2.960 -1.120
6 HB VAL 2 HB VAL 2 -9.363 0.028 -1.428
7 HG11 VAL 2 1HG1 VAL 2 -9.184 -2.184 -3.474
8 HG12 VAL 2 2HG1 VAL 2 -7.831 -1.287 -2.790
9 HG13 VAL 2 3HG1 VAL 2 -9.010 -0.460 -3.807
10 HG21 VAL 2 3HG2 VAL 2 -11.559 -1.695 -2.584
11 HG22 VAL 2 1HG2 VAL 2 -11.283 0.006 -2.962
12 HG23 VAL 2 2HG2 VAL 2 -11.750 -0.472 -1.329
13 H CYS 3 H CYS 3 -7.917 -3.939 -0.904
14 HA CYS 3 HA CYS 3 -5.828 -2.510 0.505
15 HB2 CYS 3 2HB CYS 3 -5.988 -5.402 -0.249
16 HB3 CYS 3 1HB CYS 3 -4.682 -4.663 0.657
17 H ARG 4 H ARG 4 -4.295 -1.692 -0.335
18 HA ARG 4 HA ARG 4 -3.751 -2.216 -3.198
19 HB2 ARG 4 2HB ARG 4 -4.470 0.135 -2.463
20 HB3 ARG 4 1HB ARG 4 -2.946 0.209 -1.593
21 HG2 ARG 4 2HG ARG 4 -2.627 1.363 -3.614
22 HG3 ARG 4 1HG ARG 4 -1.770 -0.178 -3.701
23 HD2 ARG 4 2HD ARG 4 -2.916 0.266 -5.808
24 HD3 ARG 4 1HD ARG 4 -3.639 -1.129 -5.011
25 HE ARG 4 HE ARG 4 -5.035 1.173 -4.236
26 HH11 ARG 4 1HH1 ARG 4 -4.656 -0.857 -7.136
27 HH12 ARG 4 2HH1 ARG 4 -6.154 -0.373 -7.792
28 HH21 ARG 4 1HH2 ARG 4 -7.052 1.786 -5.175
29 HH22 ARG 4 2HH2 ARG 4 -7.538 1.172 -6.682
30 H ABA 5 H ABA 5 -1.940 -3.365 -3.503
31 HA ABA 5 HA ABA 5 0.138 -3.315 -1.447
32 HB3 ABA 5 1HB ABA 5 -0.236 -5.246 -3.756
33 HB2 ABA 5 2HB ABA 5 -0.737 -5.548 -2.099
34 HG1 ABA 5 3HG ABA 5 1.600 -5.433 -1.376
35 HG3 ABA 5 1HG ABA 5 2.095 -5.166 -3.044
36 HG2 ABA 5 2HG ABA 5 1.341 -6.691 -2.584
37 H VAL 6 H VAL 6 1.711 -1.968 -1.772
38 HA VAL 6 HA VAL 6 2.701 -1.527 -4.484
39 HB VAL 6 HB VAL 6 3.181 0.828 -3.835
40 HG11 VAL 6 1HG1 VAL 6 0.891 1.679 -4.109
41 HG12 VAL 6 2HG1 VAL 6 0.270 0.066 -3.755
42 HG13 VAL 6 3HG1 VAL 6 1.233 0.339 -5.206
43 HG21 VAL 6 3HG2 VAL 6 1.404 0.235 -1.467
44 HG22 VAL 6 1HG2 VAL 6 1.981 1.836 -1.929
45 HG23 VAL 6 2HG2 VAL 6 3.125 0.600 -1.405
46 H CYS 7 H CYS 7 4.941 -0.564 -4.360
47 HA CYS 7 HA CYS 7 6.250 -1.360 -1.914
48 HB2 CYS 7 2HB CYS 7 7.266 -1.971 -4.703
49 HB3 CYS 7 1HB CYS 7 8.159 -2.270 -3.211
50 H ARG 8 H ARG 8 7.881 -0.033 -1.258
51 HA ARG 8 HA ARG 8 8.491 2.176 -3.023
52 HB2 ARG 8 2HB ARG 8 8.058 3.817 -1.256
53 HB3 ARG 8 1HB ARG 8 6.605 2.951 -1.703
54 HG2 ARG 8 2HG ARG 8 7.008 1.504 0.347
55 HG3 ARG 8 1HG ARG 8 8.239 2.682 0.808
56 HD2 ARG 8 2HD ARG 8 5.282 3.125 0.450
57 HD3 ARG 8 1HD ARG 8 6.246 3.308 1.918
58 HE ARG 8 HE ARG 8 7.345 5.051 0.144
59 HH11 ARG 8 1HH1 ARG 8 4.167 4.683 1.642
60 HH12 ARG 8 2HH1 ARG 8 3.697 6.301 1.340
61 HH21 ARG 8 1HH2 ARG 8 6.700 7.217 -0.255
62 HH22 ARG 8 2HH2 ARG 8 5.165 7.770 0.261
63 H ARG 9 H ARG 9 10.537 2.032 -3.273
64 HA ARG 9 HA ARG 9 12.739 1.850 -2.949
65 HB2 ARG 9 2HB ARG 9 12.338 3.933 -1.670
66 HB3 ARG 9 1HB ARG 9 12.056 2.985 -0.221
67 HG2 ARG 9 2HG ARG 9 14.344 2.399 -0.052
68 HG3 ARG 9 1HG ARG 9 14.676 2.954 -1.693
69 HD2 ARG 9 2HD ARG 9 13.768 4.754 0.553
70 HD3 ARG 9 1HD ARG 9 15.453 4.535 0.072
71 HE ARG 9 HE ARG 9 14.398 5.170 -2.239
72 HH11 ARG 9 1HH1 ARG 9 13.906 6.778 0.875
73 HH12 ARG 9 2HH1 ARG 9 13.576 8.292 0.176
74 HH21 ARG 9 1HH2 ARG 9 13.949 7.156 -3.161
75 HH22 ARG 9 2HH2 ARG 9 13.631 8.546 -2.216
76 H GLY 10 H GLY 10 11.348 -0.428 -2.660
77 HA2 GLY 10 2HA GLY 10 12.148 -2.595 -2.344
78 HA3 GLY 10 1HA GLY 10 13.264 -1.980 -1.127
79 H VAL 11 H VAL 11 10.526 -0.578 -0.215
80 HA VAL 11 HA VAL 11 9.974 -2.782 1.623
81 HB VAL 11 HB VAL 11 9.151 0.128 1.862
82 HG11 VAL 11 1HG1 VAL 11 8.689 -0.445 4.212
83 HG12 VAL 11 2HG1 VAL 11 9.079 -2.128 3.865
84 HG13 VAL 11 3HG1 VAL 11 7.685 -1.371 3.093
85 HG21 VAL 11 3HG2 VAL 11 11.579 -0.079 1.979
86 HG22 VAL 11 1HG2 VAL 11 11.421 -1.323 3.219
87 HG23 VAL 11 2HG2 VAL 11 10.910 0.327 3.560
88 H CYS 12 H CYS 12 8.362 -3.993 0.946
89 HA CYS 12 HA CYS 12 6.287 -2.744 -0.594
90 HB2 CYS 12 2HB CYS 12 6.769 -5.645 0.007
91 HB3 CYS 12 1HB CYS 12 5.453 -5.039 -0.981
92 H ARG 13 H ARG 13 4.405 -2.337 0.034
93 HA ARG 13 HA ARG 13 3.587 -3.147 2.752
94 HB2 ARG 13 2HB ARG 13 4.510 -0.813 2.695
95 HB3 ARG 13 1HB ARG 13 3.254 -0.409 1.535
96 HG2 ARG 13 2HG ARG 13 2.573 0.379 3.644
97 HG3 ARG 13 1HG ARG 13 1.566 -0.999 3.205
98 HD2 ARG 13 2HD ARG 13 2.911 -2.449 4.635
99 HD3 ARG 13 1HD ARG 13 3.945 -1.099 5.063
100 HE ARG 13 HE ARG 13 1.096 -1.324 5.786
101 HH11 ARG 13 1HH1 ARG 13 4.245 0.086 6.384
102 HH12 ARG 13 2HH1 ARG 13 3.986 0.410 8.033
103 HH21 ARG 13 1HH2 ARG 13 0.651 -0.813 8.011
104 HH22 ARG 13 2HH2 ARG 13 1.856 -0.118 9.000
105 H ABA 14 H ABA 14 1.464 -3.733 2.903
106 HA ABA 14 HA ABA 14 -0.217 -3.303 0.546
107 HB3 ABA 14 1HB ABA 14 -0.468 -5.436 2.697
108 HB2 ABA 14 2HB ABA 14 0.215 -5.703 1.098
109 HG1 ABA 14 3HG ABA 14 -2.064 -6.520 1.204
110 HG3 ABA 14 1HG ABA 14 -1.943 -5.164 0.082
111 HG2 ABA 14 2HG ABA 14 -2.630 -4.921 1.690
112 H VAL 15 H VAL 15 -1.032 -1.391 1.026
113 HA VAL 15 HA VAL 15 -1.952 -0.744 3.716
114 HB VAL 15 HB VAL 15 -2.063 0.960 1.208
115 HG11 VAL 15 1HG1 VAL 15 -2.261 1.696 4.117
116 HG12 VAL 15 2HG1 VAL 15 -3.563 1.725 2.929
117 HG13 VAL 15 3HG1 VAL 15 -2.203 2.839 2.777
118 HG21 VAL 15 3HG2 VAL 15 0.075 0.915 3.337
119 HG22 VAL 15 1HG2 VAL 15 -0.033 2.076 2.012
120 HG23 VAL 15 2HG2 VAL 15 0.254 0.365 1.673
121 H CYS 16 H CYS 16 -4.040 -1.078 4.275
122 HA CYS 16 HA CYS 16 -5.873 -1.470 2.085
123 HB2 CYS 16 2HB CYS 16 -6.123 -2.372 4.970
124 HB3 CYS 16 1HB CYS 16 -7.329 -2.654 3.719
125 H ARG 17 H ARG 17 -7.599 -0.196 1.779
126 HA ARG 17 HA ARG 17 -8.248 1.783 3.776
127 HB2 ARG 17 2HB ARG 17 -8.038 3.595 2.021
128 HB3 ARG 17 1HB ARG 17 -6.530 2.946 2.637
129 HG2 ARG 17 2HG ARG 17 -6.354 1.515 0.627
130 HG3 ARG 17 1HG ARG 17 -7.811 2.272 -0.011
131 HD2 ARG 17 2HD ARG 17 -5.258 3.684 0.708
132 HD3 ARG 17 1HD ARG 17 -5.756 3.271 -0.930
133 HE ARG 17 HE ARG 17 -7.810 4.727 0.112
134 HH11 ARG 17 1HH1 ARG 17 -4.374 5.314 -0.387
135 HH12 ARG 17 2HH1 ARG 17 -4.527 6.994 -0.636
136 HH21 ARG 17 1HH2 ARG 17 -8.049 7.018 -0.212
137 HH22 ARG 17 2HH2 ARG 17 -6.709 7.999 -0.557
138 H ARG 18 H ARG 18 -10.328 1.732 3.967
139 HA ARG 18 HA ARG 18 -12.540 1.568 3.615
140 HB2 ARG 18 2HB ARG 18 -12.000 3.601 2.240
141 HB3 ARG 18 1HB ARG 18 -11.897 2.577 0.831
142 HG2 ARG 18 2HG ARG 18 -14.424 2.156 2.104
143 HG3 ARG 18 1HG ARG 18 -14.171 3.885 1.867
144 HD2 ARG 18 2HD ARG 18 -13.967 1.734 -0.233
145 HD3 ARG 18 1HD ARG 18 -15.271 2.906 -0.084
146 HE ARG 18 HE ARG 18 -13.185 4.517 -0.298
147 HH11 ARG 18 1HH1 ARG 18 -14.091 1.705 -2.268
148 HH12 ARG 18 2HH1 ARG 18 -13.227 2.251 -3.636
149 HH21 ARG 18 1HH2 ARG 18 -12.062 5.245 -2.206
150 HH22 ARG 18 2HH2 ARG 18 -12.090 4.273 -3.603
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -11.217 -0.344 2.506
2 HA2 GLY 1 2HA GLY 1 -11.754 -2.583 2.804
3 HA3 GLY 1 1HA GLY 1 -13.003 -2.418 1.580
4 H VAL 2 H VAL 2 -10.101 -1.200 0.393
5 HA VAL 2 HA VAL 2 -9.554 -3.763 -0.932
6 HB VAL 2 HB VAL 2 -9.117 -0.966 -2.040
7 HG11 VAL 2 1HG1 VAL 2 -8.615 -2.092 -4.161
8 HG12 VAL 2 2HG1 VAL 2 -8.788 -3.658 -3.366
9 HG13 VAL 2 3HG1 VAL 2 -7.486 -2.566 -2.889
10 HG21 VAL 2 3HG2 VAL 2 -10.917 -1.501 -3.626
11 HG22 VAL 2 1HG2 VAL 2 -11.493 -1.474 -1.959
12 HG23 VAL 2 2HG2 VAL 2 -11.209 -3.013 -2.767
13 H CYS 3 H CYS 3 -7.530 -4.515 -0.681
14 HA CYS 3 HA CYS 3 -5.743 -2.763 0.744
15 HB2 CYS 3 2HB CYS 3 -5.609 -5.742 0.397
16 HB3 CYS 3 1HB CYS 3 -4.472 -4.778 1.328
17 H ARG 4 H ARG 4 -4.017 -2.027 0.032
18 HA ARG 4 HA ARG 4 -3.132 -2.733 -2.683
19 HB2 ARG 4 2HB ARG 4 -4.177 -0.520 -2.633
20 HB3 ARG 4 1HB ARG 4 -3.181 -0.065 -1.267
21 HG2 ARG 4 2HG ARG 4 -2.353 0.992 -3.252
22 HG3 ARG 4 1HG ARG 4 -1.197 -0.193 -2.658
23 HD2 ARG 4 2HD ARG 4 -2.001 -1.792 -4.341
24 HD3 ARG 4 1HD ARG 4 -3.118 -0.568 -4.947
25 HE ARG 4 HE ARG 4 -0.527 0.480 -4.936
26 HH11 ARG 4 1HH1 ARG 4 -2.422 -1.933 -6.681
27 HH12 ARG 4 2HH1 ARG 4 -1.534 -1.797 -8.122
28 HH21 ARG 4 1HH2 ARG 4 0.724 0.638 -6.917
29 HH22 ARG 4 2HH2 ARG 4 0.309 -0.312 -8.261
30 H ABA 5 H ABA 5 -1.076 -3.363 -2.855
31 HA ABA 5 HA ABA 5 0.653 -3.112 -0.535
32 HB3 ABA 5 1HB ABA 5 2.139 -4.646 -1.815
33 HB2 ABA 5 2HB ABA 5 0.998 -4.612 -3.150
34 HG1 ABA 5 3HG ABA 5 -0.699 -5.651 -1.732
35 HG3 ABA 5 1HG ABA 5 0.453 -5.704 -0.401
36 HG2 ABA 5 2HG ABA 5 0.750 -6.645 -1.865
37 H VAL 6 H VAL 6 1.423 -1.087 -0.513
38 HA VAL 6 HA VAL 6 2.265 0.104 -3.020
39 HB VAL 6 HB VAL 6 2.641 2.216 -1.734
40 HG11 VAL 6 1HG1 VAL 6 -0.084 1.007 -1.371
41 HG12 VAL 6 2HG1 VAL 6 0.504 1.820 -2.820
42 HG13 VAL 6 3HG1 VAL 6 0.292 2.725 -1.319
43 HG21 VAL 6 3HG2 VAL 6 3.132 1.287 0.467
44 HG22 VAL 6 1HG2 VAL 6 1.483 0.676 0.598
45 HG23 VAL 6 2HG2 VAL 6 1.779 2.414 0.557
46 H CYS 7 H CYS 7 4.294 0.109 -3.671
47 HA CYS 7 HA CYS 7 6.178 -0.872 -1.739
48 HB2 CYS 7 2HB CYS 7 6.130 -1.002 -4.703
49 HB3 CYS 7 1HB CYS 7 7.701 -0.864 -3.940
50 H ARG 8 H ARG 8 7.845 0.024 -1.063
51 HA ARG 8 HA ARG 8 8.669 2.589 -2.125
52 HB2 ARG 8 2HB ARG 8 8.921 3.443 0.193
53 HB3 ARG 8 1HB ARG 8 7.251 3.130 -0.237
54 HG2 ARG 8 2HG ARG 8 7.443 0.953 0.999
55 HG3 ARG 8 1HG ARG 8 9.024 1.500 1.564
56 HD2 ARG 8 2HD ARG 8 7.395 2.016 3.232
57 HD3 ARG 8 1HD ARG 8 7.929 3.524 2.500
58 HE ARG 8 HE ARG 8 5.383 2.164 1.889
59 HH11 ARG 8 1HH1 ARG 8 7.248 5.167 2.132
60 HH12 ARG 8 2HH1 ARG 8 5.917 6.196 1.962
61 HH21 ARG 8 1HH2 ARG 8 3.495 3.607 1.670
62 HH22 ARG 8 2HH2 ARG 8 3.726 5.281 1.693
63 H ARG 9 H ARG 9 10.673 2.420 -2.681
64 HA ARG 9 HA ARG 9 12.763 1.683 -2.986
65 HB2 ARG 9 2HB ARG 9 13.023 2.838 -0.798
66 HB3 ARG 9 1HB ARG 9 12.712 1.327 0.028
67 HG2 ARG 9 2HG ARG 9 15.084 1.891 0.055
68 HG3 ARG 9 1HG ARG 9 14.806 0.413 -0.857
69 HD2 ARG 9 2HD ARG 9 15.048 3.108 -2.183
70 HD3 ARG 9 1HD ARG 9 16.451 2.108 -1.833
71 HE ARG 9 HE ARG 9 14.947 0.406 -3.197
72 HH11 ARG 9 1HH1 ARG 9 15.768 3.778 -3.906
73 HH12 ARG 9 2HH1 ARG 9 15.762 3.586 -5.589
74 HH21 ARG 9 1HH2 ARG 9 14.962 0.134 -5.555
75 HH22 ARG 9 2HH2 ARG 9 15.353 1.451 -6.542
76 H GLY 10 H GLY 10 10.815 -0.173 -3.457
77 HA2 GLY 10 2HA GLY 10 10.926 -2.325 -4.302
78 HA3 GLY 10 1HA GLY 10 12.443 -2.551 -3.449
79 H VAL 11 H VAL 11 10.308 -1.382 -1.223
80 HA VAL 11 HA VAL 11 9.614 -4.115 -0.390
81 HB VAL 11 HB VAL 11 10.035 -1.667 1.365
82 HG11 VAL 11 1HG1 VAL 11 8.364 -3.176 2.308
83 HG12 VAL 11 2HG1 VAL 11 9.851 -3.226 3.255
84 HG13 VAL 11 3HG1 VAL 11 9.477 -4.533 2.132
85 HG21 VAL 11 3HG2 VAL 11 12.024 -2.854 2.199
86 HG22 VAL 11 1HG2 VAL 11 12.145 -2.503 0.475
87 HG23 VAL 11 2HG2 VAL 11 11.744 -4.133 1.016
88 H CYS 12 H CYS 12 7.504 -4.565 -0.524
89 HA CYS 12 HA CYS 12 5.685 -2.349 -0.674
90 HB2 CYS 12 2HB CYS 12 5.408 -5.185 -1.397
91 HB3 CYS 12 1HB CYS 12 3.951 -4.316 -0.959
92 H ARG 13 H ARG 13 4.454 -1.688 0.503
93 HA ARG 13 HA ARG 13 4.073 -2.902 3.170
94 HB2 ARG 13 2HB ARG 13 4.992 -0.503 2.926
95 HB3 ARG 13 1HB ARG 13 3.374 -0.071 2.391
96 HG2 ARG 13 2HG ARG 13 3.602 0.470 4.708
97 HG3 ARG 13 1HG ARG 13 2.466 -0.869 4.509
98 HD2 ARG 13 2HD ARG 13 4.012 -1.246 6.389
99 HD3 ARG 13 1HD ARG 13 4.210 -2.466 5.131
100 HE ARG 13 HE ARG 13 5.959 -0.117 5.334
101 HH11 ARG 13 1HH1 ARG 13 5.626 -3.649 5.057
102 HH12 ARG 13 2HH1 ARG 13 7.281 -3.941 4.894
103 HH21 ARG 13 1HH2 ARG 13 8.218 -0.499 5.096
104 HH22 ARG 13 2HH2 ARG 13 8.844 -2.064 4.927
105 H ABA 14 H ABA 14 2.072 -3.702 3.624
106 HA ABA 14 HA ABA 14 -0.007 -3.402 1.631
107 HB3 ABA 14 1HB ABA 14 0.083 -5.077 4.155
108 HB2 ABA 14 2HB ABA 14 0.481 -5.642 2.537
109 HG1 ABA 14 3HG ABA 14 -1.824 -5.267 1.828
110 HG3 ABA 14 1HG ABA 14 -2.230 -4.700 3.448
111 HG2 ABA 14 2HG ABA 14 -1.734 -6.373 3.198
112 H VAL 15 H VAL 15 -1.284 -1.712 1.749
113 HA VAL 15 HA VAL 15 -2.252 -0.862 4.376
114 HB VAL 15 HB VAL 15 -0.711 0.839 3.425
115 HG11 VAL 15 1HG1 VAL 15 -1.264 2.090 1.394
116 HG12 VAL 15 2HG1 VAL 15 -2.609 0.994 1.096
117 HG13 VAL 15 3HG1 VAL 15 -0.955 0.384 1.063
118 HG21 VAL 15 3HG2 VAL 15 -3.599 1.716 3.429
119 HG22 VAL 15 1HG2 VAL 15 -2.212 2.805 3.510
120 HG23 VAL 15 2HG2 VAL 15 -2.506 1.649 4.811
121 H CYS 16 H CYS 16 -4.491 -0.594 4.506
122 HA CYS 16 HA CYS 16 -5.862 -1.352 2.050
123 HB2 CYS 16 2HB CYS 16 -6.768 -1.916 4.886
124 HB3 CYS 16 1HB CYS 16 -7.588 -2.429 3.419
125 H ARG 17 H ARG 17 -7.579 -0.217 1.359
126 HA ARG 17 HA ARG 17 -8.637 1.908 2.993
127 HB2 ARG 17 2HB ARG 17 -8.212 3.624 1.236
128 HB3 ARG 17 1HB ARG 17 -6.742 3.043 2.006
129 HG2 ARG 17 2HG ARG 17 -6.321 1.585 0.079
130 HG3 ARG 17 1HG ARG 17 -7.783 2.197 -0.692
131 HD2 ARG 17 2HD ARG 17 -5.810 3.323 -1.559
132 HD3 ARG 17 1HD ARG 17 -6.842 4.446 -0.690
133 HE ARG 17 HE ARG 17 -5.282 4.166 1.217
134 HH11 ARG 17 1HH1 ARG 17 -4.079 3.435 -2.030
135 HH12 ARG 17 2HH1 ARG 17 -2.494 3.954 -1.686
136 HH21 ARG 17 1HH2 ARG 17 -3.157 4.844 1.656
137 HH22 ARG 17 2HH2 ARG 17 -1.939 4.793 0.472
138 H ARG 18 H ARG 18 -10.722 2.150 2.598
139 HA ARG 18 HA ARG 18 -12.789 1.926 1.755
140 HB2 ARG 18 2HB ARG 18 -11.800 3.276 -0.118
141 HB3 ARG 18 1HB ARG 18 -11.398 1.786 -0.942
142 HG2 ARG 18 2HG ARG 18 -13.771 1.273 -1.190
143 HG3 ARG 18 1HG ARG 18 -14.185 2.754 -0.327
144 HD2 ARG 18 2HD ARG 18 -14.356 3.097 -2.725
145 HD3 ARG 18 1HD ARG 18 -13.039 4.062 -2.053
146 HE ARG 18 HE ARG 18 -12.471 1.460 -3.254
147 HH11 ARG 18 1HH1 ARG 18 -12.148 4.985 -3.447
148 HH12 ARG 18 2HH1 ARG 18 -10.939 4.962 -4.634
149 HH21 ARG 18 1HH2 ARG 18 -10.808 1.426 -4.887
150 HH22 ARG 18 2HH2 ARG 18 -10.138 2.871 -5.468