Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
558247 | 2m2x RC | 18937 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.350 -0.350 -0.409
2 HA2 GLY 1 2HA GLY 1 -12.843 -2.317 -1.095
3 HA3 GLY 1 1HA GLY 1 -12.821 -1.503 -2.659
4 H VAL 2 H VAL 2 -10.010 -0.544 -1.900
5 HA VAL 2 HA VAL 2 -8.529 -2.955 -1.927
6 HB VAL 2 HB VAL 2 -9.011 -2.881 -4.302
7 HG11 VAL 2 1HG1 VAL 2 -8.339 -1.070 -5.779
8 HG12 VAL 2 2HG1 VAL 2 -7.806 -0.137 -4.388
9 HG13 VAL 2 3HG1 VAL 2 -9.517 -0.529 -4.579
10 HG21 VAL 2 3HG2 VAL 2 -6.739 -2.845 -5.251
11 HG22 VAL 2 1HG2 VAL 2 -6.808 -3.693 -3.705
12 HG23 VAL 2 2HG2 VAL 2 -6.156 -2.056 -3.783
13 H ABA 3 H ABA 3 -7.234 -2.534 -0.336
14 HA ABA 3 HA ABA 3 -5.633 -0.076 -0.398
15 HB3 ABA 3 1HB ABA 3 -5.521 -0.225 2.074
16 HB2 ABA 3 2HB ABA 3 -6.629 -1.588 2.036
17 HG1 ABA 3 3HG ABA 3 -7.268 1.218 1.176
18 HG3 ABA 3 1HG ABA 3 -7.782 0.435 2.671
19 HG2 ABA 3 2HG ABA 3 -8.361 -0.156 1.107
20 H ARG 4 H ARG 4 -3.476 -0.404 -0.221
21 HA ARG 4 HA ARG 4 -2.642 -3.212 -0.051
22 HB2 ARG 4 2HB ARG 4 -1.143 -0.828 -1.147
23 HB3 ARG 4 1HB ARG 4 -0.529 -2.475 -1.092
24 HG2 ARG 4 2HG ARG 4 -2.884 -1.490 -2.688
25 HG3 ARG 4 1HG ARG 4 -1.306 -1.968 -3.313
26 HD2 ARG 4 2HD ARG 4 -1.713 -4.258 -2.425
27 HD3 ARG 4 1HD ARG 4 -3.324 -3.741 -1.944
28 HE ARG 4 HE ARG 4 -3.183 -3.116 -4.564
29 HH11 ARG 4 1HH1 ARG 4 -2.655 -6.099 -2.737
30 HH12 ARG 4 2HH1 ARG 4 -3.187 -7.126 -3.972
31 HH21 ARG 4 1HH2 ARG 4 -3.949 -4.533 -6.275
32 HH22 ARG 4 2HH2 ARG 4 -3.926 -6.213 -6.024
33 H ABA 5 H ABA 5 -0.818 -3.770 1.199
34 HA ABA 5 HA ABA 5 -0.203 -1.876 3.343
35 HB3 ABA 5 1HB ABA 5 -0.165 -3.766 4.915
36 HB2 ABA 5 2HB ABA 5 -0.624 -4.868 3.626
37 HG1 ABA 5 3HG ABA 5 -2.529 -4.324 5.052
38 HG3 ABA 5 1HG ABA 5 -2.770 -3.733 3.407
39 HG2 ABA 5 2HG ABA 5 -2.314 -2.612 4.683
40 H VAL 6 H VAL 6 1.644 -1.369 2.055
41 HA VAL 6 HA VAL 6 3.799 -3.332 2.281
42 HB VAL 6 HB VAL 6 3.565 -1.330 0.047
43 HG11 VAL 6 1HG1 VAL 6 5.330 -2.687 -1.028
44 HG12 VAL 6 2HG1 VAL 6 5.410 -3.679 0.430
45 HG13 VAL 6 3HG1 VAL 6 5.823 -1.964 0.502
46 HG21 VAL 6 3HG2 VAL 6 3.012 -3.190 -1.491
47 HG22 VAL 6 1HG2 VAL 6 1.761 -2.927 -0.273
48 HG23 VAL 6 2HG2 VAL 6 2.891 -4.269 -0.099
49 H ABA 7 H ABA 7 5.365 -2.514 3.451
50 HA ABA 7 HA ABA 7 5.613 0.372 3.670
51 HB3 ABA 7 1HB ABA 7 4.372 -0.203 5.608
52 HB2 ABA 7 2HB ABA 7 6.052 -0.029 6.114
53 HG1 ABA 7 3HG ABA 7 5.004 -1.925 7.206
54 HG3 ABA 7 1HG ABA 7 6.339 -2.427 6.168
55 HG2 ABA 7 2HG ABA 7 4.672 -2.653 5.634
56 H ARG 8 H ARG 8 7.332 -0.315 2.042
57 HA ARG 8 HA ARG 8 9.682 -1.376 3.399
58 HB2 ARG 8 2HB ARG 8 9.030 -1.407 0.446
59 HB3 ARG 8 1HB ARG 8 10.408 -2.170 1.221
60 HG2 ARG 8 2HG ARG 8 7.517 -2.937 1.563
61 HG3 ARG 8 1HG ARG 8 8.733 -3.824 0.648
62 HD2 ARG 8 2HD ARG 8 9.961 -4.302 2.670
63 HD3 ARG 8 1HD ARG 8 8.882 -3.276 3.612
64 HE ARG 8 HE ARG 8 7.697 -5.496 2.184
65 HH11 ARG 8 1HH1 ARG 8 8.885 -4.275 5.312
66 HH12 ARG 8 2HH1 ARG 8 7.960 -5.366 6.226
67 HH21 ARG 8 1HH2 ARG 8 6.466 -7.004 3.475
68 HH22 ARG 8 2HH2 ARG 8 6.596 -6.948 5.177
69 H ARG 9 H ARG 9 11.675 -0.495 2.448
70 HA ARG 9 HA ARG 9 11.486 2.374 2.422
71 HB2 ARG 9 2HB ARG 9 13.921 0.602 2.133
72 HB3 ARG 9 1HB ARG 9 13.962 2.353 2.286
73 HG2 ARG 9 2HG ARG 9 12.814 2.109 4.489
74 HG3 ARG 9 1HG ARG 9 13.030 0.368 4.328
75 HD2 ARG 9 2HD ARG 9 15.247 2.398 4.301
76 HD3 ARG 9 1HD ARG 9 14.773 1.444 5.703
77 HE ARG 9 HE ARG 9 15.311 -0.371 3.710
78 HH11 ARG 9 1HH1 ARG 9 17.154 2.242 5.259
79 HH12 ARG 9 2HH1 ARG 9 18.618 1.402 5.208
80 HH21 ARG 9 1HH2 ARG 9 17.354 -1.497 3.641
81 HH22 ARG 9 2HH2 ARG 9 18.746 -0.774 4.287
82 H GLY 10 H GLY 10 10.659 3.165 0.693
83 HA2 GLY 10 2HA GLY 10 11.303 4.066 -1.464
84 HA3 GLY 10 1HA GLY 10 11.860 2.447 -1.886
85 H VAL 11 H VAL 11 9.567 1.248 -0.460
86 HA VAL 11 HA VAL 11 7.481 1.870 -2.423
87 HB VAL 11 HB VAL 11 8.106 -0.929 -1.420
88 HG11 VAL 11 1HG1 VAL 11 6.284 0.001 -3.628
89 HG12 VAL 11 2HG1 VAL 11 5.781 -0.604 -2.051
90 HG13 VAL 11 3HG1 VAL 11 6.596 -1.677 -3.189
91 HG21 VAL 11 3HG2 VAL 11 9.950 -0.185 -2.841
92 HG22 VAL 11 1HG2 VAL 11 8.802 0.284 -4.096
93 HG23 VAL 11 2HG2 VAL 11 8.993 -1.417 -3.666
94 H ABA 12 H ABA 12 6.239 3.021 -1.045
95 HA ABA 12 HA ABA 12 5.305 1.704 1.394
96 HB3 ABA 12 1HB ABA 12 4.571 4.013 2.063
97 HB2 ABA 12 2HB ABA 12 5.410 4.635 0.646
98 HG1 ABA 12 3HG ABA 12 6.788 4.911 2.593
99 HG3 ABA 12 1HG ABA 12 7.504 3.720 1.510
100 HG2 ABA 12 2HG ABA 12 6.657 3.192 2.966
101 H ARG 13 H ARG 13 3.089 2.010 1.860
102 HA ARG 13 HA ARG 13 1.600 1.553 -0.518
103 HB2 ARG 13 2HB ARG 13 -0.305 0.973 1.083
104 HB3 ARG 13 1HB ARG 13 1.107 -0.059 1.057
105 HG2 ARG 13 2HG ARG 13 0.726 0.093 3.323
106 HG3 ARG 13 1HG ARG 13 1.838 1.436 3.111
107 HD2 ARG 13 2HD ARG 13 0.024 2.128 4.523
108 HD3 ARG 13 1HD ARG 13 -0.126 2.954 2.971
109 HE ARG 13 HE ARG 13 -1.602 0.607 2.834
110 HH11 ARG 13 1HH1 ARG 13 -1.714 3.658 4.612
111 HH12 ARG 13 2HH1 ARG 13 -3.400 3.676 4.824
112 HH21 ARG 13 1HH2 ARG 13 -3.923 0.586 3.129
113 HH22 ARG 13 2HH2 ARG 13 -4.687 1.850 3.986
114 H ABA 14 H ABA 14 1.368 3.295 -1.606
115 HA ABA 14 HA ABA 14 -0.260 5.430 -0.447
116 HB3 ABA 14 1HB ABA 14 0.388 6.744 -2.470
117 HB2 ABA 14 2HB ABA 14 1.331 5.361 -3.015
118 HG1 ABA 14 3HG ABA 14 1.839 6.945 -0.512
119 HG3 ABA 14 1HG ABA 14 2.751 7.052 -2.018
120 HG2 ABA 14 2HG ABA 14 2.781 5.564 -1.076
121 H VAL 15 H VAL 15 -1.085 2.854 -1.228
122 HA VAL 15 HA VAL 15 -3.126 3.491 -3.261
123 HB VAL 15 HB VAL 15 -2.217 0.763 -2.496
124 HG11 VAL 15 1HG1 VAL 15 -3.372 0.041 -4.584
125 HG12 VAL 15 2HG1 VAL 15 -3.912 1.707 -4.805
126 HG13 VAL 15 3HG1 VAL 15 -4.440 0.787 -3.396
127 HG21 VAL 15 3HG2 VAL 15 -1.335 2.332 -4.926
128 HG22 VAL 15 1HG2 VAL 15 -0.984 0.625 -4.658
129 HG23 VAL 15 2HG2 VAL 15 -0.318 1.845 -3.571
130 H ABA 16 H ABA 16 -4.791 3.924 -2.177
131 HA ABA 16 HA ABA 16 -5.857 2.122 -0.177
132 HB3 ABA 16 1HB ABA 16 -5.353 5.047 0.461
133 HB2 ABA 16 2HB ABA 16 -4.446 3.698 1.125
134 HG1 ABA 16 3HG ABA 16 -7.379 4.191 1.584
135 HG3 ABA 16 1HG ABA 16 -6.077 4.564 2.715
136 HG2 ABA 16 2HG ABA 16 -6.414 2.890 2.281
137 H ARG 17 H ARG 17 -7.517 1.749 -1.682
138 HA ARG 17 HA ARG 17 -9.337 3.990 -2.074
139 HB2 ARG 17 2HB ARG 17 -9.013 1.447 -3.665
140 HB3 ARG 17 1HB ARG 17 -10.279 2.627 -3.928
141 HG2 ARG 17 2HG ARG 17 -8.516 4.290 -4.496
142 HG3 ARG 17 1HG ARG 17 -7.333 2.985 -4.376
143 HD2 ARG 17 2HD ARG 17 -8.492 1.731 -6.089
144 HD3 ARG 17 1HD ARG 17 -9.741 2.968 -6.180
145 HE ARG 17 HE ARG 17 -7.357 4.228 -6.661
146 HH11 ARG 17 1HH1 ARG 17 -9.239 1.616 -8.137
147 HH12 ARG 17 2HH1 ARG 17 -8.697 1.924 -9.728
148 HH21 ARG 17 1HH2 ARG 17 -6.625 4.662 -8.889
149 HH22 ARG 17 2HH2 ARG 17 -7.166 3.662 -10.145
150 H ARG 18 H ARG 18 -11.553 3.351 -1.877
151 HA ARG 18 HA ARG 18 -11.930 1.567 0.359
152 HB2 ARG 18 2HB ARG 18 -13.993 3.101 -1.241
153 HB3 ARG 18 1HB ARG 18 -14.264 2.322 0.314
154 HG2 ARG 18 2HG ARG 18 -12.437 4.660 -0.221
155 HG3 ARG 18 1HG ARG 18 -13.984 4.709 0.627
156 HD2 ARG 18 2HD ARG 18 -13.115 3.316 2.382
157 HD3 ARG 18 1HD ARG 18 -11.595 3.101 1.523
158 HE ARG 18 HE ARG 18 -11.989 5.808 1.878
159 HH11 ARG 18 1HH1 ARG 18 -11.384 2.936 3.858
160 HH12 ARG 18 2HH1 ARG 18 -10.577 3.765 5.105
161 HH21 ARG 18 1HH2 ARG 18 -10.813 6.960 3.548
162 HH22 ARG 18 2HH2 ARG 18 -10.227 6.111 4.907
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -10.298 -1.720 -1.914
2 HA2 GLY 1 2HA GLY 1 -10.834 -3.592 -3.592
3 HA3 GLY 1 1HA GLY 1 -10.661 -2.286 -4.765
4 H VAL 2 H VAL 2 -8.638 -0.842 -3.782
5 HA VAL 2 HA VAL 2 -6.480 -2.743 -3.392
6 HB VAL 2 HB VAL 2 -6.317 -2.034 -5.689
7 HG11 VAL 2 1HG1 VAL 2 -7.442 0.085 -5.680
8 HG12 VAL 2 2HG1 VAL 2 -5.841 0.287 -6.379
9 HG13 VAL 2 3HG1 VAL 2 -6.155 0.814 -4.724
10 HG21 VAL 2 3HG2 VAL 2 -4.004 -1.147 -5.756
11 HG22 VAL 2 1HG2 VAL 2 -4.213 -2.461 -4.592
12 HG23 VAL 2 2HG2 VAL 2 -4.120 -0.789 -4.035
13 H ABA 3 H ABA 3 -6.789 -2.413 -1.280
14 HA ABA 3 HA ABA 3 -5.908 0.140 -0.178
15 HB3 ABA 3 1HB ABA 3 -7.031 -2.294 1.253
16 HB2 ABA 3 2HB ABA 3 -7.969 -0.886 0.770
17 HG1 ABA 3 3HG ABA 3 -6.646 0.508 2.290
18 HG3 ABA 3 1HG ABA 3 -5.732 -0.915 2.786
19 HG2 ABA 3 2HG ABA 3 -7.458 -0.808 3.138
20 H ARG 4 H ARG 4 -3.787 -0.061 -0.793
21 HA ARG 4 HA ARG 4 -2.244 -2.266 0.402
22 HB2 ARG 4 2HB ARG 4 -2.064 -1.749 -2.109
23 HB3 ARG 4 1HB ARG 4 -1.256 -0.264 -1.607
24 HG2 ARG 4 2HG ARG 4 0.493 -1.723 -2.111
25 HG3 ARG 4 1HG ARG 4 0.376 -1.769 -0.355
26 HD2 ARG 4 2HD ARG 4 -0.786 -3.812 -2.253
27 HD3 ARG 4 1HD ARG 4 0.727 -4.000 -1.380
28 HE ARG 4 HE ARG 4 -0.974 -3.704 0.652
29 HH11 ARG 4 1HH1 ARG 4 -1.331 -5.656 -2.299
30 HH12 ARG 4 2HH1 ARG 4 -2.244 -6.867 -1.566
31 HH21 ARG 4 1HH2 ARG 4 -2.226 -5.402 1.676
32 HH22 ARG 4 2HH2 ARG 4 -2.754 -6.727 0.766
33 H ABA 5 H ABA 5 -1.689 -1.631 2.404
34 HA ABA 5 HA ABA 5 -0.460 1.003 2.708
35 HB3 ABA 5 1HB ABA 5 -1.278 0.985 5.059
36 HB2 ABA 5 2HB ABA 5 -2.146 -0.507 4.719
37 HG1 ABA 5 3HG ABA 5 -3.536 0.658 3.091
38 HG3 ABA 5 1HG ABA 5 -2.666 2.157 3.412
39 HG2 ABA 5 2HG ABA 5 -3.637 1.410 4.681
40 H VAL 6 H VAL 6 1.561 0.046 2.243
41 HA VAL 6 HA VAL 6 2.689 -1.460 4.457
42 HB VAL 6 HB VAL 6 4.094 -2.741 2.823
43 HG11 VAL 6 1HG1 VAL 6 2.373 -4.419 2.257
44 HG12 VAL 6 2HG1 VAL 6 1.136 -3.238 2.690
45 HG13 VAL 6 3HG1 VAL 6 2.245 -3.841 3.922
46 HG21 VAL 6 3HG2 VAL 6 3.808 -1.366 0.843
47 HG22 VAL 6 1HG2 VAL 6 2.087 -1.748 0.804
48 HG23 VAL 6 2HG2 VAL 6 3.284 -3.011 0.504
49 H ABA 7 H ABA 7 4.652 -0.727 5.095
50 HA ABA 7 HA ABA 7 5.883 1.387 3.503
51 HB3 ABA 7 1HB ABA 7 7.063 1.949 5.598
52 HB2 ABA 7 2HB ABA 7 6.251 0.620 6.412
53 HG1 ABA 7 3HG ABA 7 4.916 3.049 5.242
54 HG3 ABA 7 1HG ABA 7 5.202 2.733 6.953
55 HG2 ABA 7 2HG ABA 7 4.096 1.708 6.040
56 H ARG 8 H ARG 8 6.908 -0.043 2.034
57 HA ARG 8 HA ARG 8 9.049 -1.655 3.172
58 HB2 ARG 8 2HB ARG 8 7.470 -2.143 0.620
59 HB3 ARG 8 1HB ARG 8 8.731 -3.192 1.264
60 HG2 ARG 8 2HG ARG 8 7.341 -3.727 3.179
61 HG3 ARG 8 1HG ARG 8 6.130 -2.569 2.624
62 HD2 ARG 8 2HD ARG 8 5.307 -4.708 2.011
63 HD3 ARG 8 1HD ARG 8 5.929 -3.990 0.533
64 HE ARG 8 HE ARG 8 7.785 -5.680 1.938
65 HH11 ARG 8 1HH1 ARG 8 5.284 -5.563 -0.602
66 HH12 ARG 8 2HH1 ARG 8 5.713 -7.044 -1.287
67 HH21 ARG 8 1HH2 ARG 8 8.338 -7.750 0.988
68 HH22 ARG 8 2HH2 ARG 8 7.486 -8.320 -0.370
69 H ARG 9 H ARG 9 10.978 -1.541 1.948
70 HA ARG 9 HA ARG 9 11.642 1.043 1.020
71 HB2 ARG 9 2HB ARG 9 13.169 -1.537 0.663
72 HB3 ARG 9 1HB ARG 9 13.808 0.063 0.340
73 HG2 ARG 9 2HG ARG 9 13.603 0.641 2.693
74 HG3 ARG 9 1HG ARG 9 12.924 -0.954 3.031
75 HD2 ARG 9 2HD ARG 9 14.984 -1.997 2.184
76 HD3 ARG 9 1HD ARG 9 15.655 -0.399 1.884
77 HE ARG 9 HE ARG 9 15.152 -0.213 4.452
78 HH11 ARG 9 1HH1 ARG 9 16.547 -2.953 2.725
79 HH12 ARG 9 2HH1 ARG 9 17.587 -3.434 3.969
80 HH21 ARG 9 1HH2 ARG 9 16.614 -0.830 6.194
81 HH22 ARG 9 2HH2 ARG 9 17.625 -2.184 6.007
82 H GLY 10 H GLY 10 10.748 1.853 -0.763
83 HA2 GLY 10 2HA GLY 10 10.984 2.146 -3.125
84 HA3 GLY 10 1HA GLY 10 11.183 0.400 -3.284
85 H VAL 11 H VAL 11 8.973 0.183 -1.253
86 HA VAL 11 HA VAL 11 6.714 0.729 -3.009
87 HB VAL 11 HB VAL 11 7.117 -1.870 -1.456
88 HG11 VAL 11 1HG1 VAL 11 4.770 -1.293 -1.592
89 HG12 VAL 11 2HG1 VAL 11 5.097 -2.642 -2.689
90 HG13 VAL 11 3HG1 VAL 11 4.912 -1.013 -3.324
91 HG21 VAL 11 3HG2 VAL 11 7.221 -1.385 -4.437
92 HG22 VAL 11 1HG2 VAL 11 7.293 -2.963 -3.657
93 HG23 VAL 11 2HG2 VAL 11 8.587 -1.793 -3.403
94 H ABA 12 H ABA 12 7.010 2.538 -1.412
95 HA ABA 12 HA ABA 12 5.724 1.970 1.142
96 HB3 ABA 12 1HB ABA 12 6.083 4.410 1.580
97 HB2 ABA 12 2HB ABA 12 6.830 4.555 -0.004
98 HG1 ABA 12 3HG ABA 12 8.598 3.021 0.683
99 HG3 ABA 12 1HG ABA 12 7.858 2.888 2.274
100 HG2 ABA 12 2HG ABA 12 8.506 4.435 1.734
101 H ARG 13 H ARG 13 3.655 1.556 0.717
102 HA ARG 13 HA ARG 13 2.241 3.571 -0.830
103 HB2 ARG 13 2HB ARG 13 1.684 0.606 -0.774
104 HB3 ARG 13 1HB ARG 13 0.682 1.813 -1.563
105 HG2 ARG 13 2HG ARG 13 2.676 2.397 -2.989
106 HG3 ARG 13 1HG ARG 13 3.494 1.006 -2.290
107 HD2 ARG 13 2HD ARG 13 1.683 -0.444 -3.110
108 HD3 ARG 13 1HD ARG 13 0.914 0.947 -3.866
109 HE ARG 13 HE ARG 13 3.516 -0.209 -4.622
110 HH11 ARG 13 1HH1 ARG 13 0.744 1.812 -5.523
111 HH12 ARG 13 2HH1 ARG 13 0.992 1.639 -7.192
112 HH21 ARG 13 1HH2 ARG 13 3.842 -0.424 -6.939
113 HH22 ARG 13 2HH2 ARG 13 2.787 0.347 -8.018
114 H ABA 14 H ABA 14 0.412 4.307 0.011
115 HA ABA 14 HA ABA 14 -0.719 3.088 2.378
116 HB3 ABA 14 1HB ABA 14 0.080 6.021 2.291
117 HB2 ABA 14 2HB ABA 14 1.027 4.791 3.112
118 HG1 ABA 14 3HG ABA 14 -1.795 5.594 3.801
119 HG3 ABA 14 1HG ABA 14 -0.338 6.040 4.691
120 HG2 ABA 14 2HG ABA 14 -0.849 4.353 4.625
121 H VAL 15 H VAL 15 -1.887 2.721 0.228
122 HA VAL 15 HA VAL 15 -3.623 4.982 -0.300
123 HB VAL 15 HB VAL 15 -4.205 3.880 -2.478
124 HG11 VAL 15 1HG1 VAL 15 -2.114 4.477 -3.603
125 HG12 VAL 15 2HG1 VAL 15 -1.283 4.474 -2.043
126 HG13 VAL 15 3HG1 VAL 15 -2.547 5.661 -2.366
127 HG21 VAL 15 3HG2 VAL 15 -2.727 2.114 -3.354
128 HG22 VAL 15 1HG2 VAL 15 -3.595 1.564 -1.921
129 HG23 VAL 15 2HG2 VAL 15 -1.900 2.036 -1.795
130 H ABA 16 H ABA 16 -5.520 4.936 0.442
131 HA ABA 16 HA ABA 16 -6.616 2.391 1.358
132 HB3 ABA 16 1HB ABA 16 -7.390 5.221 2.131
133 HB2 ABA 16 2HB ABA 16 -6.320 4.183 3.063
134 HG1 ABA 16 3HG ABA 16 -8.147 2.613 3.438
135 HG3 ABA 16 1HG ABA 16 -9.220 3.649 2.500
136 HG2 ABA 16 2HG ABA 16 -8.549 4.234 4.017
137 H ARG 17 H ARG 17 -7.311 1.780 -0.703
138 HA ARG 17 HA ARG 17 -9.537 3.336 -1.752
139 HB2 ARG 17 2HB ARG 17 -7.706 1.453 -3.245
140 HB3 ARG 17 1HB ARG 17 -9.005 2.411 -3.939
141 HG2 ARG 17 2HG ARG 17 -6.504 3.510 -2.674
142 HG3 ARG 17 1HG ARG 17 -6.792 3.358 -4.407
143 HD2 ARG 17 2HD ARG 17 -8.657 4.891 -4.253
144 HD3 ARG 17 1HD ARG 17 -8.462 5.000 -2.503
145 HE ARG 17 HE ARG 17 -6.048 5.666 -3.675
146 HH11 ARG 17 1HH1 ARG 17 -9.327 6.998 -3.688
147 HH12 ARG 17 2HH1 ARG 17 -8.822 8.614 -3.740
148 HH21 ARG 17 1HH2 ARG 17 -5.349 7.846 -3.787
149 HH22 ARG 17 2HH2 ARG 17 -6.475 9.124 -3.816
150 H ARG 18 H ARG 18 -11.333 2.164 -2.291
151 HA ARG 18 HA ARG 18 -11.698 -0.343 -0.928
152 HB2 ARG 18 2HB ARG 18 -13.552 1.224 -2.724
153 HB3 ARG 18 1HB ARG 18 -14.006 -0.230 -1.849
154 HG2 ARG 18 2HG ARG 18 -13.116 2.352 -0.571
155 HG3 ARG 18 1HG ARG 18 -14.789 1.840 -0.749
156 HD2 ARG 18 2HD ARG 18 -14.193 1.284 1.468
157 HD3 ARG 18 1HD ARG 18 -14.129 -0.236 0.585
158 HE ARG 18 HE ARG 18 -11.788 1.386 1.296
159 HH11 ARG 18 1HH1 ARG 18 -13.307 -1.796 0.957
160 HH12 ARG 18 2HH1 ARG 18 -11.945 -2.666 1.449
161 HH21 ARG 18 1HH2 ARG 18 -9.910 0.167 2.018
162 HH22 ARG 18 2HH2 ARG 18 -9.970 -1.536 2.057
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -10.561 1.575 -1.176
2 HA2 GLY 1 2HA GLY 1 -10.693 0.860 1.105
3 HA3 GLY 1 1HA GLY 1 -11.754 -0.446 0.596
4 H VAL 2 H VAL 2 -9.732 -0.903 -1.689
5 HA VAL 2 HA VAL 2 -8.192 -2.857 -0.257
6 HB VAL 2 HB VAL 2 -8.378 -2.293 -3.238
7 HG11 VAL 2 1HG1 VAL 2 -7.402 -4.531 -3.528
8 HG12 VAL 2 2HG1 VAL 2 -7.210 -4.664 -1.778
9 HG13 VAL 2 3HG1 VAL 2 -6.309 -3.439 -2.677
10 HG21 VAL 2 3HG2 VAL 2 -9.754 -4.396 -1.578
11 HG22 VAL 2 1HG2 VAL 2 -9.824 -4.274 -3.337
12 HG23 VAL 2 2HG2 VAL 2 -10.523 -3.000 -2.331
13 H ABA 3 H ABA 3 -6.684 -1.787 0.734
14 HA ABA 3 HA ABA 3 -4.924 -0.038 -0.824
15 HB3 ABA 3 1HB ABA 3 -5.833 1.019 1.148
16 HB2 ABA 3 2HB ABA 3 -4.094 0.830 1.328
17 HG1 ABA 3 3HG ABA 3 -6.201 -0.861 2.596
18 HG3 ABA 3 1HG ABA 3 -5.230 0.399 3.363
19 HG2 ABA 3 2HG ABA 3 -4.447 -1.080 2.770
20 H ARG 4 H ARG 4 -2.774 -0.290 -0.836
21 HA ARG 4 HA ARG 4 -1.918 -3.040 -0.651
22 HB2 ARG 4 2HB ARG 4 -0.427 -0.563 -1.545
23 HB3 ARG 4 1HB ARG 4 0.211 -2.199 -1.624
24 HG2 ARG 4 2HG ARG 4 -2.216 -1.186 -3.091
25 HG3 ARG 4 1HG ARG 4 -0.617 -1.442 -3.794
26 HD2 ARG 4 2HD ARG 4 -2.369 -3.586 -2.568
27 HD3 ARG 4 1HD ARG 4 -2.139 -3.288 -4.287
28 HE ARG 4 HE ARG 4 0.294 -3.735 -3.790
29 HH11 ARG 4 1HH1 ARG 4 -2.364 -5.393 -2.070
30 HH12 ARG 4 2HH1 ARG 4 -1.456 -6.792 -1.752
31 HH21 ARG 4 1HH2 ARG 4 1.537 -5.684 -3.293
32 HH22 ARG 4 2HH2 ARG 4 0.795 -6.970 -2.462
33 H ABA 5 H ABA 5 -1.833 -3.554 1.444
34 HA ABA 5 HA ABA 5 -0.529 -1.985 3.421
35 HB3 ABA 5 1HB ABA 5 -1.298 -4.919 3.458
36 HB2 ABA 5 2HB ABA 5 -2.326 -3.591 3.972
37 HG1 ABA 5 3HG ABA 5 0.254 -4.430 5.271
38 HG3 ABA 5 1HG ABA 5 -1.369 -4.732 5.889
39 HG2 ABA 5 2HG ABA 5 -0.750 -3.079 5.779
40 H VAL 6 H VAL 6 1.474 -1.555 2.442
41 HA VAL 6 HA VAL 6 3.455 -3.587 2.945
42 HB VAL 6 HB VAL 6 2.941 -3.850 0.565
43 HG11 VAL 6 1HG1 VAL 6 2.066 -1.665 0.029
44 HG12 VAL 6 2HG1 VAL 6 3.390 -2.059 -1.068
45 HG13 VAL 6 3HG1 VAL 6 3.655 -0.937 0.266
46 HG21 VAL 6 3HG2 VAL 6 5.209 -3.479 -0.384
47 HG22 VAL 6 1HG2 VAL 6 5.238 -4.240 1.211
48 HG23 VAL 6 2HG2 VAL 6 5.601 -2.527 1.046
49 H ABA 7 H ABA 7 5.381 -2.741 3.516
50 HA ABA 7 HA ABA 7 5.741 0.136 3.415
51 HB3 ABA 7 1HB ABA 7 5.963 -1.455 5.982
52 HB2 ABA 7 2HB ABA 7 4.673 -0.323 5.602
53 HG1 ABA 7 3HG ABA 7 7.581 0.369 5.902
54 HG3 ABA 7 1HG ABA 7 6.307 0.670 7.084
55 HG2 ABA 7 2HG ABA 7 6.280 1.497 5.528
56 H ARG 8 H ARG 8 7.339 -0.215 1.939
57 HA ARG 8 HA ARG 8 9.820 -1.324 2.991
58 HB2 ARG 8 2HB ARG 8 8.737 -1.638 0.184
59 HB3 ARG 8 1HB ARG 8 10.344 -2.121 0.705
60 HG2 ARG 8 2HG ARG 8 9.282 -3.771 2.226
61 HG3 ARG 8 1HG ARG 8 7.713 -3.337 1.533
62 HD2 ARG 8 2HD ARG 8 8.571 -5.300 0.408
63 HD3 ARG 8 1HD ARG 8 8.566 -3.930 -0.706
64 HE ARG 8 HE ARG 8 10.960 -4.820 0.744
65 HH11 ARG 8 1HH1 ARG 8 9.441 -3.825 -2.329
66 HH12 ARG 8 2HH1 ARG 8 10.895 -3.809 -3.190
67 HH21 ARG 8 1HH2 ARG 8 12.971 -4.801 -0.508
68 HH22 ARG 8 2HH2 ARG 8 12.909 -4.425 -2.168
69 H ARG 9 H ARG 9 11.648 -0.372 1.727
70 HA ARG 9 HA ARG 9 11.160 2.433 1.359
71 HB2 ARG 9 2HB ARG 9 13.688 0.802 1.099
72 HB3 ARG 9 1HB ARG 9 13.612 2.559 0.998
73 HG2 ARG 9 2HG ARG 9 12.844 2.712 3.271
74 HG3 ARG 9 1HG ARG 9 12.759 0.953 3.378
75 HD2 ARG 9 2HD ARG 9 15.255 2.582 2.947
76 HD3 ARG 9 1HD ARG 9 14.770 1.817 4.463
77 HE ARG 9 HE ARG 9 15.386 0.359 1.987
78 HH11 ARG 9 1HH1 ARG 9 15.555 0.574 5.527
79 HH12 ARG 9 2HH1 ARG 9 16.462 -0.859 5.683
80 HH21 ARG 9 1HH2 ARG 9 16.586 -1.620 2.236
81 HH22 ARG 9 2HH2 ARG 9 17.016 -2.156 3.789
82 H GLY 10 H GLY 10 10.042 2.797 -0.372
83 HA2 GLY 10 2HA GLY 10 10.603 3.330 -2.766
84 HA3 GLY 10 1HA GLY 10 10.874 1.595 -2.921
85 H VAL 11 H VAL 11 8.614 1.366 -0.817
86 HA VAL 11 HA VAL 11 6.316 2.186 -2.238
87 HB VAL 11 HB VAL 11 6.887 0.257 -3.636
88 HG11 VAL 11 1HG1 VAL 11 8.203 -1.055 -2.124
89 HG12 VAL 11 2HG1 VAL 11 6.891 -2.034 -2.790
90 HG13 VAL 11 3HG1 VAL 11 6.783 -1.414 -1.143
91 HG21 VAL 11 3HG2 VAL 11 4.782 -1.032 -3.454
92 HG22 VAL 11 1HG2 VAL 11 4.535 0.711 -3.333
93 HG23 VAL 11 2HG2 VAL 11 4.503 -0.280 -1.879
94 H ABA 12 H ABA 12 4.988 2.785 -0.744
95 HA ABA 12 HA ABA 12 4.729 1.237 1.728
96 HB3 ABA 12 1HB ABA 12 4.447 3.424 2.931
97 HB2 ABA 12 2HB ABA 12 4.947 4.249 1.464
98 HG1 ABA 12 3HG ABA 12 6.771 4.094 3.054
99 HG3 ABA 12 1HG ABA 12 7.130 3.182 1.587
100 HG2 ABA 12 2HG ABA 12 6.636 2.337 3.053
101 H ARG 13 H ARG 13 2.674 1.799 2.832
102 HA ARG 13 HA ARG 13 0.524 1.736 0.961
103 HB2 ARG 13 2HB ARG 13 0.422 0.453 3.064
104 HB3 ARG 13 1HB ARG 13 0.463 1.966 3.969
105 HG2 ARG 13 2HG ARG 13 -1.666 2.623 2.971
106 HG3 ARG 13 1HG ARG 13 -1.717 1.103 2.082
107 HD2 ARG 13 2HD ARG 13 -3.133 1.025 4.081
108 HD3 ARG 13 1HD ARG 13 -1.809 -0.134 4.181
109 HE ARG 13 HE ARG 13 -0.821 1.121 5.839
110 HH11 ARG 13 1HH1 ARG 13 -3.717 2.803 4.716
111 HH12 ARG 13 2HH1 ARG 13 -3.964 3.664 6.171
112 HH21 ARG 13 1HH2 ARG 13 -1.166 2.278 7.824
113 HH22 ARG 13 2HH2 ARG 13 -2.449 3.394 7.972
114 H ABA 14 H ABA 14 0.576 3.633 -0.108
115 HA ABA 14 HA ABA 14 -0.664 5.867 1.322
116 HB3 ABA 14 1HB ABA 14 0.591 7.457 -0.176
117 HB2 ABA 14 2HB ABA 14 1.499 6.095 -0.811
118 HG1 ABA 14 3HG ABA 14 2.487 5.705 1.380
119 HG3 ABA 14 1HG ABA 14 1.570 7.062 2.034
120 HG2 ABA 14 2HG ABA 14 2.806 7.341 0.809
121 H VAL 15 H VAL 15 -1.556 3.636 -0.144
122 HA VAL 15 HA VAL 15 -3.154 4.905 -2.227
123 HB VAL 15 HB VAL 15 -1.668 2.353 -2.709
124 HG11 VAL 15 1HG1 VAL 15 -2.555 2.489 -5.019
125 HG12 VAL 15 2HG1 VAL 15 -3.532 3.871 -4.517
126 HG13 VAL 15 3HG1 VAL 15 -3.790 2.290 -3.781
127 HG21 VAL 15 3HG2 VAL 15 -1.188 5.051 -3.996
128 HG22 VAL 15 1HG2 VAL 15 -0.433 3.547 -4.519
129 HG23 VAL 15 2HG2 VAL 15 -0.091 4.199 -2.915
130 H ABA 16 H ABA 16 -5.111 4.363 -1.818
131 HA ABA 16 HA ABA 16 -5.822 1.646 -1.160
132 HB3 ABA 16 1HB ABA 16 -6.176 2.923 0.888
133 HB2 ABA 16 2HB ABA 16 -7.730 2.595 0.122
134 HG1 ABA 16 3HG ABA 16 -7.818 4.831 -0.747
135 HG3 ABA 16 1HG ABA 16 -6.273 5.202 0.011
136 HG2 ABA 16 2HG ABA 16 -7.683 4.826 1.010
137 H ARG 17 H ARG 17 -7.165 0.818 -2.627
138 HA ARG 17 HA ARG 17 -8.602 2.652 -4.380
139 HB2 ARG 17 2HB ARG 17 -7.427 -0.062 -4.957
140 HB3 ARG 17 1HB ARG 17 -8.483 0.797 -6.059
141 HG2 ARG 17 2HG ARG 17 -6.813 2.591 -6.232
142 HG3 ARG 17 1HG ARG 17 -5.766 1.700 -5.118
143 HD2 ARG 17 2HD ARG 17 -5.676 -0.165 -6.674
144 HD3 ARG 17 1HD ARG 17 -6.763 0.681 -7.773
145 HE ARG 17 HE ARG 17 -4.499 2.261 -7.259
146 HH11 ARG 17 1HH1 ARG 17 -5.469 -0.668 -9.018
147 HH12 ARG 17 2HH1 ARG 17 -4.215 -0.563 -10.167
148 HH21 ARG 17 1HH2 ARG 17 -2.753 2.377 -8.871
149 HH22 ARG 17 2HH2 ARG 17 -2.676 1.198 -10.096
150 H ARG 18 H ARG 18 -10.620 2.648 -3.573
151 HA ARG 18 HA ARG 18 -12.675 1.993 -2.906
152 HB2 ARG 18 2HB ARG 18 -11.897 -0.441 -4.472
153 HB3 ARG 18 1HB ARG 18 -13.529 -0.215 -3.831
154 HG2 ARG 18 2HG ARG 18 -13.767 1.793 -5.213
155 HG3 ARG 18 1HG ARG 18 -12.125 1.585 -5.795
156 HD2 ARG 18 2HD ARG 18 -13.786 0.769 -7.401
157 HD3 ARG 18 1HD ARG 18 -12.709 -0.509 -6.852
158 HE ARG 18 HE ARG 18 -14.831 -0.754 -5.205
159 HH11 ARG 18 1HH1 ARG 18 -14.682 -0.507 -8.751
160 HH12 ARG 18 2HH1 ARG 18 -15.963 -1.599 -9.005
161 HH21 ARG 18 1HH2 ARG 18 -16.590 -2.223 -5.579
162 HH22 ARG 18 2HH2 ARG 18 -17.070 -2.579 -7.181
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -10.327 -1.234 -1.417
2 HA2 GLY 1 2HA GLY 1 -9.455 -3.431 -1.098
3 HA3 GLY 1 1HA GLY 1 -9.584 -3.698 -2.829
4 H VAL 2 H VAL 2 -8.258 -0.858 -2.955
5 HA VAL 2 HA VAL 2 -5.537 -1.874 -2.875
6 HB VAL 2 HB VAL 2 -6.605 0.766 -3.953
7 HG11 VAL 2 1HG1 VAL 2 -4.237 0.849 -3.372
8 HG12 VAL 2 2HG1 VAL 2 -4.465 0.940 -5.118
9 HG13 VAL 2 3HG1 VAL 2 -3.935 -0.571 -4.373
10 HG21 VAL 2 3HG2 VAL 2 -6.335 -0.216 -6.195
11 HG22 VAL 2 1HG2 VAL 2 -7.531 -1.084 -5.230
12 HG23 VAL 2 2HG2 VAL 2 -5.919 -1.760 -5.451
13 H ABA 3 H ABA 3 -5.261 -1.904 -0.705
14 HA ABA 3 HA ABA 3 -5.605 0.575 0.831
15 HB3 ABA 3 1HB ABA 3 -5.658 -0.884 2.796
16 HB2 ABA 3 2HB ABA 3 -5.411 -2.290 1.772
17 HG1 ABA 3 3HG ABA 3 -7.554 -1.901 0.691
18 HG3 ABA 3 1HG ABA 3 -7.814 -0.481 1.701
19 HG2 ABA 3 2HG ABA 3 -7.740 -2.084 2.436
20 H ARG 4 H ARG 4 -4.029 0.965 2.476
21 HA ARG 4 HA ARG 4 -1.331 0.553 1.596
22 HB2 ARG 4 2HB ARG 4 -2.102 2.680 2.618
23 HB3 ARG 4 1HB ARG 4 -2.429 1.816 4.112
24 HG2 ARG 4 2HG ARG 4 -0.030 1.283 4.299
25 HG3 ARG 4 1HG ARG 4 0.279 2.245 2.852
26 HD2 ARG 4 2HD ARG 4 -0.701 4.200 3.990
27 HD3 ARG 4 1HD ARG 4 -0.921 3.228 5.443
28 HE ARG 4 HE ARG 4 1.775 3.367 4.414
29 HH11 ARG 4 1HH1 ARG 4 -0.566 4.691 6.729
30 HH12 ARG 4 2HH1 ARG 4 0.615 5.500 7.651
31 HH21 ARG 4 1HH2 ARG 4 3.378 4.476 5.706
32 HH22 ARG 4 2HH2 ARG 4 2.883 5.367 7.075
33 H ABA 5 H ABA 5 -1.003 -1.619 1.778
34 HA ABA 5 HA ABA 5 -0.590 -2.556 4.510
35 HB3 ABA 5 1HB ABA 5 -1.735 -4.298 2.287
36 HB2 ABA 5 2HB ABA 5 -2.731 -3.537 3.516
37 HG1 ABA 5 3HG ABA 5 -2.350 -5.875 4.033
38 HG3 ABA 5 1HG ABA 5 -1.609 -4.838 5.253
39 HG2 ABA 5 2HG ABA 5 -0.606 -5.607 4.024
40 H VAL 6 H VAL 6 0.920 -1.356 2.455
41 HA VAL 6 HA VAL 6 3.112 -3.187 2.278
42 HB VAL 6 HB VAL 6 3.507 -2.391 -0.163
43 HG11 VAL 6 1HG1 VAL 6 2.197 -4.293 -1.076
44 HG12 VAL 6 2HG1 VAL 6 1.336 -4.406 0.458
45 HG13 VAL 6 3HG1 VAL 6 3.071 -4.725 0.392
46 HG21 VAL 6 3HG2 VAL 6 1.710 -0.769 -0.243
47 HG22 VAL 6 1HG2 VAL 6 0.517 -2.040 0.003
48 HG23 VAL 6 2HG2 VAL 6 1.467 -2.007 -1.485
49 H ABA 7 H ABA 7 4.173 -1.957 3.661
50 HA ABA 7 HA ABA 7 4.979 0.692 2.704
51 HB3 ABA 7 1HB ABA 7 4.860 -0.286 5.580
52 HB2 ABA 7 2HB ABA 7 3.682 0.793 4.843
53 HG1 ABA 7 3HG ABA 7 5.218 2.045 6.227
54 HG3 ABA 7 1HG ABA 7 5.431 2.485 4.535
55 HG2 ABA 7 2HG ABA 7 6.590 1.414 5.321
56 H ARG 8 H ARG 8 6.457 -0.535 1.438
57 HA ARG 8 HA ARG 8 8.588 -1.801 2.936
58 HB2 ARG 8 2HB ARG 8 7.864 -1.921 0.005
59 HB3 ARG 8 1HB ARG 8 9.200 -2.784 0.761
60 HG2 ARG 8 2HG ARG 8 7.654 -4.058 2.105
61 HG3 ARG 8 1HG ARG 8 6.305 -3.125 1.456
62 HD2 ARG 8 2HD ARG 8 6.788 -4.012 -0.781
63 HD3 ARG 8 1HD ARG 8 8.121 -4.957 -0.110
64 HE ARG 8 HE ARG 8 5.987 -5.618 1.405
65 HH11 ARG 8 1HH1 ARG 8 6.601 -5.778 -2.094
66 HH12 ARG 8 2HH1 ARG 8 5.566 -7.119 -2.317
67 HH21 ARG 8 1HH2 ARG 8 4.604 -7.468 1.042
68 HH22 ARG 8 2HH2 ARG 8 4.428 -8.084 -0.532
69 H ARG 9 H ARG 9 10.664 -1.150 2.448
70 HA ARG 9 HA ARG 9 10.803 1.670 1.859
71 HB2 ARG 9 2HB ARG 9 13.010 -0.240 2.667
72 HB3 ARG 9 1HB ARG 9 13.142 1.513 2.615
73 HG2 ARG 9 2HG ARG 9 11.335 -0.085 4.440
74 HG3 ARG 9 1HG ARG 9 12.817 0.748 4.909
75 HD2 ARG 9 2HD ARG 9 11.790 2.903 4.310
76 HD3 ARG 9 1HD ARG 9 10.337 2.066 3.795
77 HE ARG 9 HE ARG 9 10.092 1.334 6.141
78 HH11 ARG 9 1HH1 ARG 9 12.113 4.196 5.534
79 HH12 ARG 9 2HH1 ARG 9 11.689 4.976 6.975
80 HH21 ARG 9 1HH2 ARG 9 9.439 2.469 8.110
81 HH22 ARG 9 2HH2 ARG 9 10.129 3.967 8.480
82 H GLY 10 H GLY 10 10.084 1.400 -0.201
83 HA2 GLY 10 2HA GLY 10 11.759 1.835 -2.273
84 HA3 GLY 10 1HA GLY 10 11.567 0.076 -2.256
85 H VAL 11 H VAL 11 8.895 0.215 -1.098
86 HA VAL 11 HA VAL 11 7.341 1.615 -3.046
87 HB VAL 11 HB VAL 11 7.593 -0.504 -4.209
88 HG11 VAL 11 1HG1 VAL 11 8.240 -1.931 -2.353
89 HG12 VAL 11 2HG1 VAL 11 6.924 -2.650 -3.284
90 HG13 VAL 11 3HG1 VAL 11 6.588 -1.882 -1.732
91 HG21 VAL 11 3HG2 VAL 11 4.872 -0.373 -2.918
92 HG22 VAL 11 1HG2 VAL 11 5.258 -1.247 -4.401
93 HG23 VAL 11 2HG2 VAL 11 5.384 0.517 -4.347
94 H ABA 12 H ABA 12 6.130 2.820 -1.895
95 HA ABA 12 HA ABA 12 4.800 1.703 0.474
96 HB3 ABA 12 1HB ABA 12 4.835 4.006 1.411
97 HB2 ABA 12 2HB ABA 12 5.831 4.522 0.058
98 HG1 ABA 12 3HG ABA 12 7.597 2.992 0.766
99 HG3 ABA 12 1HG ABA 12 6.615 2.498 2.143
100 HG2 ABA 12 2HG ABA 12 7.195 4.162 2.022
101 H ARG 13 H ARG 13 2.872 1.268 -0.438
102 HA ARG 13 HA ARG 13 1.580 3.306 -2.095
103 HB2 ARG 13 2HB ARG 13 1.540 0.924 -2.825
104 HB3 ARG 13 1HB ARG 13 0.644 0.522 -1.370
105 HG2 ARG 13 2HG ARG 13 -1.175 1.943 -2.082
106 HG3 ARG 13 1HG ARG 13 -0.308 2.335 -3.572
107 HD2 ARG 13 2HD ARG 13 -1.891 0.623 -4.057
108 HD3 ARG 13 1HD ARG 13 -0.290 -0.109 -4.077
109 HE ARG 13 HE ARG 13 -1.802 -0.282 -1.598
110 HH11 ARG 13 1HH1 ARG 13 -0.551 -1.958 -4.449
111 HH12 ARG 13 2HH1 ARG 13 -1.132 -3.489 -3.990
112 HH21 ARG 13 1HH2 ARG 13 -2.574 -2.378 -0.945
113 HH22 ARG 13 2HH2 ARG 13 -2.311 -3.740 -1.920
114 H ABA 14 H ABA 14 0.978 4.856 -0.673
115 HA ABA 14 HA ABA 14 -0.376 4.090 1.787
116 HB3 ABA 14 1HB ABA 14 1.448 5.609 2.100
117 HB2 ABA 14 2HB ABA 14 -0.047 6.467 2.451
118 HG1 ABA 14 3HG ABA 14 1.540 6.678 -0.097
119 HG3 ABA 14 1HG ABA 14 1.492 7.871 1.203
120 HG2 ABA 14 2HG ABA 14 0.040 7.531 0.261
121 H VAL 15 H VAL 15 -1.933 3.716 -0.462
122 HA VAL 15 HA VAL 15 -3.935 5.837 -0.146
123 HB VAL 15 HB VAL 15 -4.866 5.201 -2.330
124 HG11 VAL 15 1HG1 VAL 15 -3.244 7.009 -2.280
125 HG12 VAL 15 2HG1 VAL 15 -3.074 6.089 -3.775
126 HG13 VAL 15 3HG1 VAL 15 -1.922 5.854 -2.459
127 HG21 VAL 15 3HG2 VAL 15 -4.163 2.858 -2.370
128 HG22 VAL 15 1HG2 VAL 15 -2.489 3.367 -2.572
129 HG23 VAL 15 2HG2 VAL 15 -3.665 3.693 -3.845
130 H ABA 16 H ABA 16 -6.244 4.970 -0.359
131 HA ABA 16 HA ABA 16 -6.499 2.188 0.344
132 HB3 ABA 16 1HB ABA 16 -7.445 4.341 2.252
133 HB2 ABA 16 2HB ABA 16 -6.006 3.362 2.495
134 HG1 ABA 16 3HG ABA 16 -7.875 2.553 3.812
135 HG3 ABA 16 1HG ABA 16 -7.361 1.358 2.622
136 HG2 ABA 16 2HG ABA 16 -8.813 2.315 2.336
137 H ARG 17 H ARG 17 -7.597 2.206 -1.692
138 HA ARG 17 HA ARG 17 -10.392 2.967 -1.398
139 HB2 ARG 17 2HB ARG 17 -8.786 3.577 -3.876
140 HB3 ARG 17 1HB ARG 17 -10.521 3.688 -3.754
141 HG2 ARG 17 2HG ARG 17 -10.195 5.468 -2.026
142 HG3 ARG 17 1HG ARG 17 -8.466 5.408 -2.395
143 HD2 ARG 17 2HD ARG 17 -10.696 6.033 -4.333
144 HD3 ARG 17 1HD ARG 17 -9.522 7.178 -3.693
145 HE ARG 17 HE ARG 17 -7.974 5.321 -4.843
146 HH11 ARG 17 1HH1 ARG 17 -10.739 7.152 -6.091
147 HH12 ARG 17 2HH1 ARG 17 -10.183 7.149 -7.703
148 HH21 ARG 17 1HH2 ARG 17 -7.254 5.309 -7.010
149 HH22 ARG 17 2HH2 ARG 17 -8.119 6.088 -8.254
150 H ARG 18 H ARG 18 -11.678 1.345 -1.986
151 HA ARG 18 HA ARG 18 -12.535 -0.527 -2.902
152 HB2 ARG 18 2HB ARG 18 -10.945 0.417 -5.252
153 HB3 ARG 18 1HB ARG 18 -12.346 -0.659 -5.348
154 HG2 ARG 18 2HG ARG 18 -13.733 1.181 -4.450
155 HG3 ARG 18 1HG ARG 18 -12.309 2.212 -4.422
156 HD2 ARG 18 2HD ARG 18 -12.101 1.869 -6.876
157 HD3 ARG 18 1HD ARG 18 -13.627 0.987 -6.837
158 HE ARG 18 HE ARG 18 -13.385 3.777 -5.944
159 HH11 ARG 18 1HH1 ARG 18 -15.105 1.310 -7.865
160 HH12 ARG 18 2HH1 ARG 18 -16.317 2.391 -8.351
161 HH21 ARG 18 1HH2 ARG 18 -15.053 5.232 -6.719
162 HH22 ARG 18 2HH2 ARG 18 -16.294 4.647 -7.718
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -11.520 0.732 -0.433
2 HA2 GLY 1 2HA GLY 1 -11.488 -0.689 1.471
3 HA3 GLY 1 1HA GLY 1 -11.975 -2.029 0.441
4 H VAL 2 H VAL 2 -9.874 -1.116 -1.524
5 HA VAL 2 HA VAL 2 -7.762 -2.731 -0.417
6 HB VAL 2 HB VAL 2 -7.964 -1.423 -3.154
7 HG11 VAL 2 1HG1 VAL 2 -5.650 -1.896 -2.502
8 HG12 VAL 2 2HG1 VAL 2 -6.168 -2.960 -3.811
9 HG13 VAL 2 3HG1 VAL 2 -6.084 -3.569 -2.158
10 HG21 VAL 2 3HG2 VAL 2 -8.530 -4.258 -2.298
11 HG22 VAL 2 1HG2 VAL 2 -8.527 -3.675 -3.964
12 HG23 VAL 2 2HG2 VAL 2 -9.721 -3.069 -2.812
13 H ABA 3 H ABA 3 -6.943 -1.568 1.083
14 HA ABA 3 HA ABA 3 -5.775 1.044 0.493
15 HB3 ABA 3 1HB ABA 3 -6.094 -0.388 3.149
16 HB2 ABA 3 2HB ABA 3 -7.270 0.734 2.499
17 HG1 ABA 3 3HG ABA 3 -5.951 1.796 4.199
18 HG3 ABA 3 1HG ABA 3 -5.642 2.546 2.635
19 HG2 ABA 3 2HG ABA 3 -4.469 1.424 3.326
20 H ARG 4 H ARG 4 -3.614 1.307 1.742
21 HA ARG 4 HA ARG 4 -1.545 0.060 0.466
22 HB2 ARG 4 2HB ARG 4 -1.110 2.090 1.520
23 HB3 ARG 4 1HB ARG 4 -1.743 1.540 3.055
24 HG2 ARG 4 2HG ARG 4 0.217 0.100 3.347
25 HG3 ARG 4 1HG ARG 4 0.857 0.656 1.804
26 HD2 ARG 4 2HD ARG 4 1.231 2.816 2.605
27 HD3 ARG 4 1HD ARG 4 0.140 2.598 3.973
28 HE ARG 4 HE ARG 4 2.045 0.764 4.410
29 HH11 ARG 4 1HH1 ARG 4 2.366 4.215 3.652
30 HH12 ARG 4 2HH1 ARG 4 3.619 4.487 4.771
31 HH21 ARG 4 1HH2 ARG 4 3.713 1.141 5.956
32 HH22 ARG 4 2HH2 ARG 4 4.416 2.687 6.142
33 H ABA 5 H ABA 5 -0.866 -1.947 0.459
34 HA ABA 5 HA ABA 5 -0.641 -3.416 2.990
35 HB3 ABA 5 1HB ABA 5 -1.002 -5.531 1.711
36 HB2 ABA 5 2HB ABA 5 -1.299 -4.587 0.265
37 HG1 ABA 5 3HG ABA 5 -2.989 -4.537 2.744
38 HG3 ABA 5 1HG ABA 5 -3.364 -5.388 1.245
39 HG2 ABA 5 2HG ABA 5 -3.280 -3.627 1.264
40 H VAL 6 H VAL 6 1.136 -1.708 1.617
41 HA VAL 6 HA VAL 6 3.350 -3.566 1.012
42 HB VAL 6 HB VAL 6 2.959 -0.962 -0.445
43 HG11 VAL 6 1HG1 VAL 6 4.661 -1.826 -1.999
44 HG12 VAL 6 2HG1 VAL 6 4.826 -3.257 -0.986
45 HG13 VAL 6 3HG1 VAL 6 5.251 -1.672 -0.344
46 HG21 VAL 6 3HG2 VAL 6 1.139 -2.420 -1.138
47 HG22 VAL 6 1HG2 VAL 6 2.282 -3.721 -1.469
48 HG23 VAL 6 2HG2 VAL 6 2.304 -2.256 -2.453
49 H ABA 7 H ABA 7 5.019 -3.111 2.250
50 HA ABA 7 HA ABA 7 5.489 -0.368 3.093
51 HB3 ABA 7 1HB ABA 7 5.562 -2.666 5.061
52 HB2 ABA 7 2HB ABA 7 4.199 -1.570 4.898
53 HG1 ABA 7 3HG ABA 7 5.582 -0.922 6.778
54 HG3 ABA 7 1HG ABA 7 5.652 0.312 5.524
55 HG2 ABA 7 2HG ABA 7 6.998 -0.812 5.732
56 H ARG 8 H ARG 8 6.958 -1.035 1.210
57 HA ARG 8 HA ARG 8 9.332 -2.397 2.125
58 HB2 ARG 8 2HB ARG 8 8.467 -1.312 -0.552
59 HB3 ARG 8 1HB ARG 8 10.050 -2.034 -0.265
60 HG2 ARG 8 2HG ARG 8 8.957 -4.148 0.307
61 HG3 ARG 8 1HG ARG 8 7.382 -3.407 0.012
62 HD2 ARG 8 2HD ARG 8 8.136 -4.715 -1.917
63 HD3 ARG 8 1HD ARG 8 7.984 -3.000 -2.306
64 HE ARG 8 HE ARG 8 10.615 -3.825 -1.487
65 HH11 ARG 8 1HH1 ARG 8 8.455 -3.480 -4.260
66 HH12 ARG 8 2HH1 ARG 8 9.701 -3.325 -5.401
67 HH21 ARG 8 1HH2 ARG 8 12.334 -3.617 -3.032
68 HH22 ARG 8 2HH2 ARG 8 11.991 -3.404 -4.678
69 H ARG 9 H ARG 9 11.253 -1.307 2.126
70 HA ARG 9 HA ARG 9 11.031 1.287 3.227
71 HB2 ARG 9 2HB ARG 9 13.522 -0.236 2.503
72 HB3 ARG 9 1HB ARG 9 13.483 1.243 3.447
73 HG2 ARG 9 2HG ARG 9 12.178 -1.355 4.215
74 HG3 ARG 9 1HG ARG 9 13.685 -0.725 4.882
75 HD2 ARG 9 2HD ARG 9 12.464 1.243 5.720
76 HD3 ARG 9 1HD ARG 9 10.969 0.569 5.081
77 HE ARG 9 HE ARG 9 11.893 -1.393 6.631
78 HH11 ARG 9 1HH1 ARG 9 11.269 2.029 7.202
79 HH12 ARG 9 2HH1 ARG 9 10.954 1.833 8.863
80 HH21 ARG 9 1HH2 ARG 9 11.469 -1.666 8.909
81 HH22 ARG 9 2HH2 ARG 9 11.090 -0.325 9.863
82 H GLY 10 H GLY 10 10.454 2.871 2.017
83 HA2 GLY 10 2HA GLY 10 11.120 4.693 0.671
84 HA3 GLY 10 1HA GLY 10 12.198 3.612 -0.212
85 H VAL 11 H VAL 11 9.626 1.783 0.087
86 HA VAL 11 HA VAL 11 8.202 2.892 -2.210
87 HB VAL 11 HB VAL 11 8.923 -0.069 -2.007
88 HG11 VAL 11 1HG1 VAL 11 8.181 -0.198 -4.345
89 HG12 VAL 11 2HG1 VAL 11 7.754 1.507 -4.300
90 HG13 VAL 11 3HG1 VAL 11 6.898 0.357 -3.270
91 HG21 VAL 11 3HG2 VAL 11 10.534 0.266 -3.829
92 HG22 VAL 11 1HG2 VAL 11 10.980 1.198 -2.400
93 HG23 VAL 11 2HG2 VAL 11 10.232 2.001 -3.783
94 H ABA 12 H ABA 12 7.213 3.353 0.092
95 HA ABA 12 HA ABA 12 5.425 1.219 0.929
96 HB3 ABA 12 1HB ABA 12 4.607 2.895 2.606
97 HB2 ABA 12 2HB ABA 12 5.708 4.082 1.919
98 HG1 ABA 12 3HG ABA 12 6.606 3.142 3.954
99 HG3 ABA 12 1HG ABA 12 7.611 2.705 2.574
100 HG2 ABA 12 2HG ABA 12 6.509 1.520 3.272
101 H ARG 13 H ARG 13 4.301 0.969 -0.932
102 HA ARG 13 HA ARG 13 3.130 3.019 -2.460
103 HB2 ARG 13 2HB ARG 13 3.608 0.656 -3.207
104 HB3 ARG 13 1HB ARG 13 2.206 0.148 -2.281
105 HG2 ARG 13 2HG ARG 13 1.555 0.335 -4.566
106 HG3 ARG 13 1HG ARG 13 0.813 1.670 -3.686
107 HD2 ARG 13 2HD ARG 13 1.735 2.431 -5.811
108 HD3 ARG 13 1HD ARG 13 2.597 3.175 -4.467
109 HE ARG 13 HE ARG 13 3.735 0.740 -5.588
110 HH11 ARG 13 1HH1 ARG 13 3.863 4.287 -5.533
111 HH12 ARG 13 2HH1 ARG 13 5.432 4.371 -6.154
112 HH21 ARG 13 1HH2 ARG 13 5.899 0.870 -6.395
113 HH22 ARG 13 2HH2 ARG 13 6.628 2.394 -6.659
114 H ABA 14 H ABA 14 1.655 4.363 -1.677
115 HA ABA 14 HA ABA 14 -0.298 3.405 0.234
116 HB3 ABA 14 1HB ABA 14 -0.945 5.804 0.417
117 HB2 ABA 14 2HB ABA 14 0.283 6.196 -0.783
118 HG1 ABA 14 3HG ABA 14 1.082 6.663 1.454
119 HG3 ABA 14 1HG ABA 14 2.016 5.360 0.725
120 HG2 ABA 14 2HG ABA 14 0.781 4.998 1.932
121 H VAL 15 H VAL 15 -2.371 3.086 -0.265
122 HA VAL 15 HA VAL 15 -3.556 4.164 -2.594
123 HB VAL 15 HB VAL 15 -2.379 2.220 -3.558
124 HG11 VAL 15 1HG1 VAL 15 -2.126 0.803 -1.640
125 HG12 VAL 15 2HG1 VAL 15 -2.954 -0.098 -2.912
126 HG13 VAL 15 3HG1 VAL 15 -3.869 0.548 -1.546
127 HG21 VAL 15 3HG2 VAL 15 -4.502 2.751 -4.578
128 HG22 VAL 15 1HG2 VAL 15 -5.361 1.778 -3.383
129 HG23 VAL 15 2HG2 VAL 15 -4.305 0.999 -4.555
130 H ABA 16 H ABA 16 -5.789 3.933 -2.425
131 HA ABA 16 HA ABA 16 -7.008 2.335 -0.399
132 HB3 ABA 16 1HB ABA 16 -7.187 5.357 -0.097
133 HB2 ABA 16 2HB ABA 16 -6.217 4.322 0.943
134 HG1 ABA 16 3HG ABA 16 -9.207 4.216 0.665
135 HG3 ABA 16 1HG ABA 16 -8.311 4.927 2.008
136 HG2 ABA 16 2HG ABA 16 -8.224 3.188 1.707
137 H ARG 17 H ARG 17 -7.930 1.523 -2.225
138 HA ARG 17 HA ARG 17 -10.005 3.203 -3.394
139 HB2 ARG 17 2HB ARG 17 -8.264 1.245 -4.903
140 HB3 ARG 17 1HB ARG 17 -9.652 2.084 -5.565
141 HG2 ARG 17 2HG ARG 17 -7.104 3.364 -4.600
142 HG3 ARG 17 1HG ARG 17 -7.560 3.106 -6.288
143 HD2 ARG 17 2HD ARG 17 -8.995 4.869 -4.291
144 HD3 ARG 17 1HD ARG 17 -7.967 5.415 -5.614
145 HE ARG 17 HE ARG 17 -9.796 3.946 -6.879
146 HH11 ARG 17 1HH1 ARG 17 -10.081 6.593 -4.561
147 HH12 ARG 17 2HH1 ARG 17 -11.577 7.150 -5.151
148 HH21 ARG 17 1HH2 ARG 17 -11.922 4.724 -7.694
149 HH22 ARG 17 2HH2 ARG 17 -12.626 6.079 -6.954
150 H ARG 18 H ARG 18 -11.799 2.383 -2.683
151 HA ARG 18 HA ARG 18 -13.535 1.024 -2.223
152 HB2 ARG 18 2HB ARG 18 -12.248 -0.620 -4.365
153 HB3 ARG 18 1HB ARG 18 -13.905 -0.865 -3.818
154 HG2 ARG 18 2HG ARG 18 -14.429 1.427 -4.601
155 HG3 ARG 18 1HG ARG 18 -12.771 1.570 -5.196
156 HD2 ARG 18 2HD ARG 18 -14.215 0.980 -7.027
157 HD3 ARG 18 1HD ARG 18 -13.172 -0.395 -6.649
158 HE ARG 18 HE ARG 18 -15.857 -0.261 -5.524
159 HH11 ARG 18 1HH1 ARG 18 -13.626 -1.824 -7.805
160 HH12 ARG 18 2HH1 ARG 18 -14.648 -3.139 -8.129
161 HH21 ARG 18 1HH2 ARG 18 -17.258 -2.083 -5.978
162 HH22 ARG 18 2HH2 ARG 18 -16.778 -3.290 -7.062
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -10.585 -0.464 -0.633
2 HA2 GLY 1 2HA GLY 1 -11.517 -2.786 -0.710
3 HA3 GLY 1 1HA GLY 1 -11.534 -2.577 -2.457
4 H VAL 2 H VAL 2 -9.048 -1.021 -2.369
5 HA VAL 2 HA VAL 2 -7.196 -3.248 -1.982
6 HB VAL 2 HB VAL 2 -7.016 -1.113 -4.132
7 HG11 VAL 2 1HG1 VAL 2 -5.266 -3.527 -3.662
8 HG12 VAL 2 2HG1 VAL 2 -4.816 -1.852 -3.367
9 HG13 VAL 2 3HG1 VAL 2 -5.129 -2.401 -5.014
10 HG21 VAL 2 3HG2 VAL 2 -8.786 -2.718 -4.599
11 HG22 VAL 2 1HG2 VAL 2 -7.657 -4.053 -4.382
12 HG23 VAL 2 2HG2 VAL 2 -7.446 -2.927 -5.726
13 H ABA 3 H ABA 3 -6.616 -2.611 0.027
14 HA ABA 3 HA ABA 3 -5.098 -0.108 0.206
15 HB3 ABA 3 1HB ABA 3 -5.598 -0.121 2.658
16 HB2 ABA 3 2HB ABA 3 -6.658 -1.500 2.406
17 HG1 ABA 3 3HG ABA 3 -7.047 1.237 1.225
18 HG3 ABA 3 1HG ABA 3 -7.927 0.556 2.593
19 HG2 ABA 3 2HG ABA 3 -8.102 -0.155 0.985
20 H ARG 4 H ARG 4 -3.245 -1.057 -0.409
21 HA ARG 4 HA ARG 4 -2.263 -3.510 0.699
22 HB2 ARG 4 2HB ARG 4 -0.811 -1.393 -0.903
23 HB3 ARG 4 1HB ARG 4 -0.226 -3.013 -0.563
24 HG2 ARG 4 2HG ARG 4 -1.990 -3.981 -1.875
25 HG3 ARG 4 1HG ARG 4 -2.701 -2.388 -2.160
26 HD2 ARG 4 2HD ARG 4 -0.641 -1.702 -3.311
27 HD3 ARG 4 1HD ARG 4 0.029 -3.312 -3.051
28 HE ARG 4 HE ARG 4 -2.380 -3.670 -4.340
29 HH11 ARG 4 1HH1 ARG 4 0.758 -2.143 -5.085
30 HH12 ARG 4 2HH1 ARG 4 0.586 -2.365 -6.759
31 HH21 ARG 4 1HH2 ARG 4 -2.571 -3.923 -6.675
32 HH22 ARG 4 2HH2 ARG 4 -1.310 -3.395 -7.678
33 H ABA 5 H ABA 5 -1.311 -3.710 2.624
34 HA ABA 5 HA ABA 5 -0.448 -1.327 4.014
35 HB3 ABA 5 1HB ABA 5 -1.736 -2.814 5.393
36 HB2 ABA 5 2HB ABA 5 -0.083 -2.912 5.968
37 HG1 ABA 5 3HG ABA 5 -1.066 -5.096 5.961
38 HG3 ABA 5 1HG ABA 5 0.212 -5.026 4.754
39 HG2 ABA 5 2HG ABA 5 -1.481 -4.950 4.257
40 H VAL 6 H VAL 6 1.113 -1.204 2.208
41 HA VAL 6 HA VAL 6 3.384 -2.941 2.474
42 HB VAL 6 HB VAL 6 4.319 -1.677 0.467
43 HG11 VAL 6 1HG1 VAL 6 2.807 -2.848 -1.091
44 HG12 VAL 6 2HG1 VAL 6 1.674 -3.106 0.238
45 HG13 VAL 6 3HG1 VAL 6 3.267 -3.854 0.283
46 HG21 VAL 6 3HG2 VAL 6 2.983 0.361 0.650
47 HG22 VAL 6 1HG2 VAL 6 1.506 -0.575 0.438
48 HG23 VAL 6 2HG2 VAL 6 2.653 -0.448 -0.885
49 H ABA 7 H ABA 7 5.224 -2.581 3.349
50 HA ABA 7 HA ABA 7 6.094 0.115 3.911
51 HB3 ABA 7 1HB ABA 7 5.308 -0.630 6.051
52 HB2 ABA 7 2HB ABA 7 7.063 -0.837 6.037
53 HG1 ABA 7 3HG ABA 7 6.009 -2.722 7.122
54 HG3 ABA 7 1HG ABA 7 6.824 -3.214 5.640
55 HG2 ABA 7 2HG ABA 7 5.068 -3.049 5.669
56 H ARG 8 H ARG 8 6.983 -0.680 1.726
57 HA ARG 8 HA ARG 8 9.385 -2.278 2.123
58 HB2 ARG 8 2HB ARG 8 8.097 -1.602 -0.523
59 HB3 ARG 8 1HB ARG 8 9.253 -2.866 -0.176
60 HG2 ARG 8 2HG ARG 8 6.364 -2.838 0.700
61 HG3 ARG 8 1HG ARG 8 7.038 -3.800 -0.610
62 HD2 ARG 8 2HD ARG 8 7.860 -4.017 2.289
63 HD3 ARG 8 1HD ARG 8 6.676 -5.054 1.510
64 HE ARG 8 HE ARG 8 8.769 -5.390 -0.076
65 HH11 ARG 8 1HH1 ARG 8 8.611 -5.419 3.508
66 HH12 ARG 8 2HH1 ARG 8 9.813 -6.600 3.647
67 HH21 ARG 8 1HH2 ARG 8 10.415 -7.081 0.222
68 HH22 ARG 8 2HH2 ARG 8 10.833 -7.550 1.796
69 H ARG 9 H ARG 9 11.211 -1.420 0.959
70 HA ARG 9 HA ARG 9 11.369 1.423 1.269
71 HB2 ARG 9 2HB ARG 9 13.439 -0.599 0.389
72 HB3 ARG 9 1HB ARG 9 13.776 1.113 0.568
73 HG2 ARG 9 2HG ARG 9 13.261 1.043 2.903
74 HG3 ARG 9 1HG ARG 9 12.733 -0.631 2.777
75 HD2 ARG 9 2HD ARG 9 14.921 -0.516 3.752
76 HD3 ARG 9 1HD ARG 9 15.027 -1.280 2.165
77 HE ARG 9 HE ARG 9 15.626 1.300 1.654
78 HH11 ARG 9 1HH1 ARG 9 16.815 -0.944 4.141
79 HH12 ARG 9 2HH1 ARG 9 18.381 -0.281 4.174
80 HH21 ARG 9 1HH2 ARG 9 17.782 2.186 1.695
81 HH22 ARG 9 2HH2 ARG 9 18.953 1.540 2.747
82 H GLY 10 H GLY 10 10.388 2.569 -0.108
83 HA2 GLY 10 2HA GLY 10 10.628 3.707 -2.237
84 HA3 GLY 10 1HA GLY 10 10.848 2.119 -2.970
85 H VAL 11 H VAL 11 8.741 1.227 -0.916
86 HA VAL 11 HA VAL 11 6.374 2.127 -2.397
87 HB VAL 11 HB VAL 11 6.854 -0.783 -1.681
88 HG11 VAL 11 1HG1 VAL 11 4.956 -1.243 -3.131
89 HG12 VAL 11 2HG1 VAL 11 4.729 0.493 -3.352
90 HG13 VAL 11 3HG1 VAL 11 4.551 -0.221 -1.751
91 HG21 VAL 11 3HG2 VAL 11 8.447 -0.187 -3.429
92 HG22 VAL 11 1HG2 VAL 11 7.144 0.497 -4.398
93 HG23 VAL 11 2HG2 VAL 11 7.188 -1.236 -4.078
94 H ABA 12 H ABA 12 5.708 3.318 -0.614
95 HA ABA 12 HA ABA 12 5.133 1.778 1.808
96 HB3 ABA 12 1HB ABA 12 4.898 3.970 2.935
97 HB2 ABA 12 2HB ABA 12 5.330 4.782 1.441
98 HG1 ABA 12 3HG ABA 12 7.537 3.712 1.516
99 HG3 ABA 12 1HG ABA 12 7.097 2.934 3.033
100 HG2 ABA 12 2HG ABA 12 7.222 4.690 2.952
101 H ARG 13 H ARG 13 3.159 2.043 2.754
102 HA ARG 13 HA ARG 13 0.959 1.738 1.128
103 HB2 ARG 13 2HB ARG 13 -0.378 1.791 3.204
104 HB3 ARG 13 1HB ARG 13 1.062 0.796 3.365
105 HG2 ARG 13 2HG ARG 13 2.172 2.583 4.614
106 HG3 ARG 13 1HG ARG 13 0.756 3.615 4.410
107 HD2 ARG 13 2HD ARG 13 0.572 2.738 6.575
108 HD3 ARG 13 1HD ARG 13 -0.545 1.791 5.606
109 HE ARG 13 HE ARG 13 2.134 0.749 6.044
110 HH11 ARG 13 1HH1 ARG 13 -1.338 0.461 6.689
111 HH12 ARG 13 2HH1 ARG 13 -1.188 -0.937 7.645
112 HH21 ARG 13 1HH2 ARG 13 2.323 -1.198 7.410
113 HH22 ARG 13 2HH2 ARG 13 0.895 -1.871 8.057
114 H ABA 14 H ABA 14 0.334 3.285 -0.244
115 HA ABA 14 HA ABA 14 -1.032 5.546 0.902
116 HB3 ABA 14 1HB ABA 14 1.040 6.041 -1.266
117 HB2 ABA 14 2HB ABA 14 1.367 6.322 0.438
118 HG1 ABA 14 3HG ABA 14 0.800 8.396 -0.727
119 HG3 ABA 14 1HG ABA 14 -0.388 8.003 0.520
120 HG2 ABA 14 2HG ABA 14 -0.765 7.708 -1.171
121 H VAL 15 H VAL 15 -2.064 3.346 -0.081
122 HA VAL 15 HA VAL 15 -2.914 3.939 -2.838
123 HB VAL 15 HB VAL 15 -3.392 1.417 -1.357
124 HG11 VAL 15 1HG1 VAL 15 -3.325 2.011 -4.303
125 HG12 VAL 15 2HG1 VAL 15 -4.741 1.674 -3.301
126 HG13 VAL 15 3HG1 VAL 15 -3.561 0.404 -3.610
127 HG21 VAL 15 3HG2 VAL 15 -0.978 1.652 -1.329
128 HG22 VAL 15 1HG2 VAL 15 -0.970 1.965 -3.064
129 HG23 VAL 15 2HG2 VAL 15 -1.422 0.372 -2.460
130 H ABA 16 H ABA 16 -4.673 5.068 -2.644
131 HA ABA 16 HA ABA 16 -6.589 4.484 -0.514
132 HB3 ABA 16 1HB ABA 16 -7.566 6.697 -1.086
133 HB2 ABA 16 2HB ABA 16 -6.288 6.915 -2.265
134 HG1 ABA 16 3HG ABA 16 -5.775 8.109 -0.220
135 HG3 ABA 16 1HG ABA 16 -4.614 6.808 -0.481
136 HG2 ABA 16 2HG ABA 16 -5.905 6.613 0.704
137 H ARG 17 H ARG 17 -6.919 2.560 -2.002
138 HA ARG 17 HA ARG 17 -8.971 3.202 -3.973
139 HB2 ARG 17 2HB ARG 17 -7.265 0.752 -3.633
140 HB3 ARG 17 1HB ARG 17 -8.576 0.866 -4.800
141 HG2 ARG 17 2HG ARG 17 -6.015 2.457 -4.766
142 HG3 ARG 17 1HG ARG 17 -6.434 1.148 -5.872
143 HD2 ARG 17 2HD ARG 17 -8.336 2.514 -6.667
144 HD3 ARG 17 1HD ARG 17 -7.766 3.835 -5.640
145 HE ARG 17 HE ARG 17 -6.024 2.657 -7.673
146 HH11 ARG 17 1HH1 ARG 17 -7.689 5.560 -6.413
147 HH12 ARG 17 2HH1 ARG 17 -6.913 6.583 -7.523
148 HH21 ARG 17 1HH2 ARG 17 -5.033 4.106 -9.140
149 HH22 ARG 17 2HH2 ARG 17 -5.406 5.771 -9.077
150 H ARG 18 H ARG 18 -10.976 2.594 -3.412
151 HA ARG 18 HA ARG 18 -11.421 1.507 -0.823
152 HB2 ARG 18 2HB ARG 18 -13.377 1.934 -3.088
153 HB3 ARG 18 1HB ARG 18 -13.817 1.515 -1.439
154 HG2 ARG 18 2HG ARG 18 -12.415 4.032 -2.301
155 HG3 ARG 18 1HG ARG 18 -14.121 3.897 -1.880
156 HD2 ARG 18 2HD ARG 18 -13.440 3.167 0.410
157 HD3 ARG 18 1HD ARG 18 -11.757 3.449 -0.041
158 HE ARG 18 HE ARG 18 -13.123 5.769 -0.613
159 HH11 ARG 18 1HH1 ARG 18 -12.414 3.933 2.335
160 HH12 ARG 18 2HH1 ARG 18 -12.495 5.292 3.345
161 HH21 ARG 18 1HH2 ARG 18 -13.242 7.584 0.761
162 HH22 ARG 18 2HH2 ARG 18 -12.977 7.438 2.445
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -11.192 -1.834 -0.958
2 HA2 GLY 1 2HA GLY 1 -11.861 -3.784 -2.382
3 HA3 GLY 1 1HA GLY 1 -11.906 -2.621 -3.710
4 H VAL 2 H VAL 2 -9.673 -1.141 -2.895
5 HA VAL 2 HA VAL 2 -7.500 -3.040 -3.026
6 HB VAL 2 HB VAL 2 -6.269 -1.433 -4.633
7 HG11 VAL 2 1HG1 VAL 2 -7.046 -3.618 -5.341
8 HG12 VAL 2 2HG1 VAL 2 -7.290 -2.436 -6.631
9 HG13 VAL 2 3HG1 VAL 2 -8.655 -2.968 -5.653
10 HG21 VAL 2 3HG2 VAL 2 -9.102 -0.488 -5.121
11 HG22 VAL 2 1HG2 VAL 2 -7.716 -0.125 -6.150
12 HG23 VAL 2 2HG2 VAL 2 -7.757 0.470 -4.500
13 H ABA 3 H ABA 3 -7.260 -2.668 -0.882
14 HA ABA 3 HA ABA 3 -6.186 -0.046 -0.189
15 HB3 ABA 3 1HB ABA 3 -7.030 -2.317 1.638
16 HB2 ABA 3 2HB ABA 3 -8.015 -0.904 1.271
17 HG1 ABA 3 3HG ABA 3 -6.958 -0.668 3.440
18 HG3 ABA 3 1HG ABA 3 -6.332 0.537 2.317
19 HG2 ABA 3 2HG ABA 3 -5.369 -0.887 2.708
20 H ARG 4 H ARG 4 -4.103 0.044 -0.427
21 HA ARG 4 HA ARG 4 -2.469 -2.277 0.258
22 HB2 ARG 4 2HB ARG 4 -2.161 -0.446 -2.115
23 HB3 ARG 4 1HB ARG 4 -0.918 -1.555 -1.574
24 HG2 ARG 4 2HG ARG 4 -2.416 -3.448 -1.940
25 HG3 ARG 4 1HG ARG 4 -3.688 -2.346 -2.466
26 HD2 ARG 4 2HD ARG 4 -2.533 -3.423 -4.347
27 HD3 ARG 4 1HD ARG 4 -2.352 -1.667 -4.357
28 HE ARG 4 HE ARG 4 -0.131 -1.875 -3.866
29 HH11 ARG 4 1HH1 ARG 4 -1.597 -5.096 -3.855
30 HH12 ARG 4 2HH1 ARG 4 -0.126 -5.920 -4.079
31 HH21 ARG 4 1HH2 ARG 4 1.918 -3.041 -4.209
32 HH22 ARG 4 2HH2 ARG 4 1.891 -4.738 -4.278
33 H ABA 5 H ABA 5 -1.846 -1.546 2.143
34 HA ABA 5 HA ABA 5 -0.433 0.992 2.241
35 HB3 ABA 5 1HB ABA 5 -2.447 1.393 3.463
36 HB2 ABA 5 2HB ABA 5 -1.195 1.133 4.672
37 HG1 ABA 5 3HG ABA 5 -3.244 -0.899 3.816
38 HG3 ABA 5 1HG ABA 5 -3.258 0.028 5.313
39 HG2 ABA 5 2HG ABA 5 -1.979 -1.151 5.017
40 H VAL 6 H VAL 6 1.500 0.195 1.963
41 HA VAL 6 HA VAL 6 2.561 -1.477 4.045
42 HB VAL 6 HB VAL 6 1.865 -3.129 2.476
43 HG11 VAL 6 1HG1 VAL 6 3.470 -1.666 0.375
44 HG12 VAL 6 2HG1 VAL 6 1.712 -1.823 0.436
45 HG13 VAL 6 3HG1 VAL 6 2.713 -3.243 0.152
46 HG21 VAL 6 3HG2 VAL 6 4.017 -4.240 1.930
47 HG22 VAL 6 1HG2 VAL 6 3.948 -3.615 3.579
48 HG23 VAL 6 2HG2 VAL 6 4.850 -2.738 2.344
49 H ABA 7 H ABA 7 4.476 -0.964 4.591
50 HA ABA 7 HA ABA 7 5.916 1.086 3.104
51 HB3 ABA 7 1HB ABA 7 6.466 -0.158 5.816
52 HB2 ABA 7 2HB ABA 7 5.620 1.363 5.562
53 HG1 ABA 7 3HG ABA 7 7.937 1.715 6.260
54 HG3 ABA 7 1HG ABA 7 7.648 2.356 4.642
55 HG2 ABA 7 2HG ABA 7 8.495 0.826 4.844
56 H ARG 8 H ARG 8 6.972 0.118 1.437
57 HA ARG 8 HA ARG 8 8.315 -2.384 1.968
58 HB2 ARG 8 2HB ARG 8 7.999 -0.940 -0.666
59 HB3 ARG 8 1HB ARG 8 8.614 -2.564 -0.427
60 HG2 ARG 8 2HG ARG 8 6.318 -3.141 0.485
61 HG3 ARG 8 1HG ARG 8 5.795 -1.578 -0.149
62 HD2 ARG 8 2HD ARG 8 6.893 -3.929 -1.681
63 HD3 ARG 8 1HD ARG 8 5.289 -3.219 -1.799
64 HE ARG 8 HE ARG 8 7.336 -1.351 -2.456
65 HH11 ARG 8 1HH1 ARG 8 5.331 -3.974 -3.792
66 HH12 ARG 8 2HH1 ARG 8 5.679 -3.601 -5.403
67 HH21 ARG 8 1HH2 ARG 8 7.835 -0.882 -4.774
68 HH22 ARG 8 2HH2 ARG 8 7.110 -1.844 -5.959
69 H ARG 9 H ARG 9 10.440 -2.515 1.727
70 HA ARG 9 HA ARG 9 12.000 -0.192 2.250
71 HB2 ARG 9 2HB ARG 9 12.830 -3.030 1.592
72 HB3 ARG 9 1HB ARG 9 13.925 -1.772 2.153
73 HG2 ARG 9 2HG ARG 9 12.785 -1.638 4.264
74 HG3 ARG 9 1HG ARG 9 11.540 -2.752 3.705
75 HD2 ARG 9 2HD ARG 9 13.136 -3.860 5.171
76 HD3 ARG 9 1HD ARG 9 13.198 -4.533 3.547
77 HE ARG 9 HE ARG 9 15.178 -2.877 3.337
78 HH11 ARG 9 1HH1 ARG 9 14.368 -4.705 6.261
79 HH12 ARG 9 2HH1 ARG 9 15.987 -4.938 6.717
80 HH21 ARG 9 1HH2 ARG 9 17.396 -3.179 4.018
81 HH22 ARG 9 2HH2 ARG 9 17.733 -4.044 5.454
82 H GLY 10 H GLY 10 11.642 1.132 0.523
83 HA2 GLY 10 2HA GLY 10 13.324 1.553 -1.423
84 HA3 GLY 10 1HA GLY 10 12.385 0.242 -2.137
85 H VAL 11 H VAL 11 9.915 1.198 -0.665
86 HA VAL 11 HA VAL 11 9.244 3.751 -1.486
87 HB VAL 11 HB VAL 11 9.422 2.925 -3.801
88 HG11 VAL 11 1HG1 VAL 11 7.992 1.156 -4.676
89 HG12 VAL 11 2HG1 VAL 11 7.368 0.867 -3.051
90 HG13 VAL 11 3HG1 VAL 11 9.067 0.562 -3.407
91 HG21 VAL 11 3HG2 VAL 11 7.678 4.578 -3.392
92 HG22 VAL 11 1HG2 VAL 11 6.541 3.294 -2.991
93 HG23 VAL 11 2HG2 VAL 11 7.161 3.441 -4.635
94 H ABA 12 H ABA 12 7.542 4.310 -0.357
95 HA ABA 12 HA ABA 12 6.039 2.310 1.121
96 HB3 ABA 12 1HB ABA 12 5.070 4.225 2.310
97 HB2 ABA 12 2HB ABA 12 5.847 5.336 1.181
98 HG1 ABA 12 3HG ABA 12 7.034 5.212 3.316
99 HG3 ABA 12 1HG ABA 12 8.025 4.659 1.964
100 HG2 ABA 12 2HG ABA 12 7.292 3.483 3.045
101 H ARG 13 H ARG 13 3.882 1.826 0.772
102 HA ARG 13 HA ARG 13 2.551 3.248 -1.419
103 HB2 ARG 13 2HB ARG 13 2.345 0.318 -0.695
104 HB3 ARG 13 1HB ARG 13 1.442 1.118 -1.957
105 HG2 ARG 13 2HG ARG 13 4.435 0.719 -1.897
106 HG3 ARG 13 1HG ARG 13 3.280 -0.129 -2.932
107 HD2 ARG 13 2HD ARG 13 3.864 2.840 -2.971
108 HD3 ARG 13 1HD ARG 13 4.438 1.669 -4.147
109 HE ARG 13 HE ARG 13 1.936 1.249 -4.470
110 HH11 ARG 13 1HH1 ARG 13 3.312 4.465 -3.769
111 HH12 ARG 13 2HH1 ARG 13 2.123 5.276 -4.668
112 HH21 ARG 13 1HH2 ARG 13 0.318 2.441 -5.709
113 HH22 ARG 13 2HH2 ARG 13 0.424 4.131 -5.775
114 H ABA 14 H ABA 14 0.567 4.047 -0.907
115 HA ABA 14 HA ABA 14 -0.807 2.914 1.373
116 HB3 ABA 14 1HB ABA 14 -0.226 5.883 1.162
117 HB2 ABA 14 2HB ABA 14 0.602 4.785 2.257
118 HG1 ABA 14 3HG ABA 14 -2.337 5.429 2.317
119 HG3 ABA 14 1HG ABA 14 -1.117 6.049 3.425
120 HG2 ABA 14 2HG ABA 14 -1.503 4.331 3.414
121 H VAL 15 H VAL 15 -1.941 2.173 -0.529
122 HA VAL 15 HA VAL 15 -3.657 4.150 -1.813
123 HB VAL 15 HB VAL 15 -3.781 1.176 -2.146
124 HG11 VAL 15 1HG1 VAL 15 -4.708 3.399 -3.955
125 HG12 VAL 15 2HG1 VAL 15 -5.720 2.367 -2.949
126 HG13 VAL 15 3HG1 VAL 15 -4.834 1.674 -4.306
127 HG21 VAL 15 3HG2 VAL 15 -2.379 1.397 -4.182
128 HG22 VAL 15 1HG2 VAL 15 -1.504 1.833 -2.715
129 HG23 VAL 15 2HG2 VAL 15 -2.115 3.093 -3.788
130 H ABA 16 H ABA 16 -5.418 4.638 -0.820
131 HA ABA 16 HA ABA 16 -6.654 2.763 1.052
132 HB3 ABA 16 1HB ABA 16 -7.548 4.789 2.178
133 HB2 ABA 16 2HB ABA 16 -6.580 5.783 1.103
134 HG1 ABA 16 3HG ABA 16 -5.492 5.546 3.253
135 HG3 ABA 16 1HG ABA 16 -4.543 4.770 1.983
136 HG2 ABA 16 2HG ABA 16 -5.509 3.789 3.085
137 H ARG 17 H ARG 17 -7.803 1.897 -0.758
138 HA ARG 17 HA ARG 17 -10.158 3.473 -1.388
139 HB2 ARG 17 2HB ARG 17 -8.435 1.871 -3.249
140 HB3 ARG 17 1HB ARG 17 -10.124 2.199 -3.620
141 HG2 ARG 17 2HG ARG 17 -9.662 4.584 -3.618
142 HG3 ARG 17 1HG ARG 17 -7.982 4.265 -3.169
143 HD2 ARG 17 2HD ARG 17 -8.280 4.707 -5.588
144 HD3 ARG 17 1HD ARG 17 -7.586 3.126 -5.243
145 HE ARG 17 HE ARG 17 -10.433 3.056 -5.519
146 HH11 ARG 17 1HH1 ARG 17 -7.425 3.087 -7.398
147 HH12 ARG 17 2HH1 ARG 17 -8.048 2.188 -8.702
148 HH21 ARG 17 1HH2 ARG 17 -11.305 1.816 -7.338
149 HH22 ARG 17 2HH2 ARG 17 -10.306 1.415 -8.648
150 H ARG 18 H ARG 18 -11.986 2.178 -1.827
151 HA ARG 18 HA ARG 18 -12.156 -0.117 -0.115
152 HB2 ARG 18 2HB ARG 18 -14.179 1.258 -1.870
153 HB3 ARG 18 1HB ARG 18 -14.546 -0.097 -0.817
154 HG2 ARG 18 2HG ARG 18 -13.957 1.215 1.123
155 HG3 ARG 18 1HG ARG 18 -13.494 2.560 0.067
156 HD2 ARG 18 2HD ARG 18 -15.722 2.776 -0.739
157 HD3 ARG 18 1HD ARG 18 -16.243 1.343 0.143
158 HE ARG 18 HE ARG 18 -15.265 2.961 2.057
159 HH11 ARG 18 1HH1 ARG 18 -17.584 3.577 -0.531
160 HH12 ARG 18 2HH1 ARG 18 -18.655 4.481 0.424
161 HH21 ARG 18 1HH2 ARG 18 -16.696 4.262 3.392
162 HH22 ARG 18 2HH2 ARG 18 -18.105 4.926 2.719
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -10.197 -0.977 -0.638
2 HA2 GLY 1 2HA GLY 1 -11.346 -3.339 -1.261
3 HA3 GLY 1 1HA GLY 1 -11.127 -2.558 -2.830
4 H VAL 2 H VAL 2 -8.842 -1.126 -2.400
5 HA VAL 2 HA VAL 2 -6.844 -3.055 -1.644
6 HB VAL 2 HB VAL 2 -5.432 -2.308 -3.630
7 HG11 VAL 2 1HG1 VAL 2 -6.513 -3.814 -5.251
8 HG12 VAL 2 2HG1 VAL 2 -7.978 -3.795 -4.273
9 HG13 VAL 2 3HG1 VAL 2 -6.497 -4.495 -3.625
10 HG21 VAL 2 3HG2 VAL 2 -6.678 -0.289 -4.243
11 HG22 VAL 2 1HG2 VAL 2 -8.079 -1.273 -4.667
12 HG23 VAL 2 2HG2 VAL 2 -6.592 -1.405 -5.607
13 H ABA 3 H ABA 3 -5.782 -2.202 -0.132
14 HA ABA 3 HA ABA 3 -5.190 0.674 -0.161
15 HB3 ABA 3 1HB ABA 3 -5.001 0.530 2.326
16 HB2 ABA 3 2HB ABA 3 -5.529 -1.144 2.248
17 HG1 ABA 3 3HG ABA 3 -7.355 0.304 2.898
18 HG3 ABA 3 1HG ABA 3 -7.677 -0.427 1.327
19 HG2 ABA 3 2HG ABA 3 -7.155 1.252 1.426
20 H ARG 4 H ARG 4 -3.170 0.998 1.439
21 HA ARG 4 HA ARG 4 -1.000 -0.312 0.207
22 HB2 ARG 4 2HB ARG 4 0.439 0.753 1.989
23 HB3 ARG 4 1HB ARG 4 -0.499 1.854 1.004
24 HG2 ARG 4 2HG ARG 4 -2.042 2.223 2.786
25 HG3 ARG 4 1HG ARG 4 -1.284 0.964 3.766
26 HD2 ARG 4 2HD ARG 4 0.175 3.427 2.801
27 HD3 ARG 4 1HD ARG 4 -0.631 3.337 4.362
28 HE ARG 4 HE ARG 4 1.003 1.162 4.334
29 HH11 ARG 4 1HH1 ARG 4 1.715 4.576 3.698
30 HH12 ARG 4 2HH1 ARG 4 3.162 4.588 4.570
31 HH21 ARG 4 1HH2 ARG 4 3.023 1.182 5.492
32 HH22 ARG 4 2HH2 ARG 4 3.952 2.618 5.572
33 H ABA 5 H ABA 5 -0.916 -2.403 0.376
34 HA ABA 5 HA ABA 5 -0.953 -3.587 3.045
35 HB3 ABA 5 1HB ABA 5 -1.049 -5.785 1.867
36 HB2 ABA 5 2HB ABA 5 -0.991 -4.933 0.330
37 HG1 ABA 5 3HG ABA 5 -3.119 -3.860 0.837
38 HG3 ABA 5 1HG ABA 5 -3.184 -4.722 2.372
39 HG2 ABA 5 2HG ABA 5 -3.251 -5.621 0.858
40 H VAL 6 H VAL 6 1.117 -2.006 1.877
41 HA VAL 6 HA VAL 6 3.329 -3.847 2.254
42 HB VAL 6 HB VAL 6 4.619 -2.593 0.488
43 HG11 VAL 6 1HG1 VAL 6 2.224 -4.185 -0.444
44 HG12 VAL 6 2HG1 VAL 6 3.780 -4.846 0.058
45 HG13 VAL 6 3HG1 VAL 6 3.669 -3.868 -1.407
46 HG21 VAL 6 3HG2 VAL 6 3.191 -0.634 0.258
47 HG22 VAL 6 1HG2 VAL 6 1.872 -1.641 -0.339
48 HG23 VAL 6 2HG2 VAL 6 3.343 -1.453 -1.293
49 H ABA 7 H ABA 7 4.721 -3.140 3.708
50 HA ABA 7 HA ABA 7 5.000 -0.282 4.022
51 HB3 ABA 7 1HB ABA 7 3.874 -0.973 6.026
52 HB2 ABA 7 2HB ABA 7 5.581 -0.800 6.425
53 HG1 ABA 7 3HG ABA 7 4.201 -3.409 5.937
54 HG3 ABA 7 1HG ABA 7 4.640 -2.744 7.507
55 HG2 ABA 7 2HG ABA 7 5.899 -3.185 6.353
56 H ARG 8 H ARG 8 6.387 -1.184 2.223
57 HA ARG 8 HA ARG 8 9.001 -1.968 3.224
58 HB2 ARG 8 2HB ARG 8 7.712 -2.161 0.508
59 HB3 ARG 8 1HB ARG 8 9.435 -2.377 0.740
60 HG2 ARG 8 2HG ARG 8 7.270 -4.063 1.983
61 HG3 ARG 8 1HG ARG 8 8.227 -4.494 0.564
62 HD2 ARG 8 2HD ARG 8 9.257 -4.024 3.361
63 HD3 ARG 8 1HD ARG 8 9.140 -5.573 2.530
64 HE ARG 8 HE ARG 8 10.714 -3.773 1.030
65 HH11 ARG 8 1HH1 ARG 8 10.892 -5.849 3.906
66 HH12 ARG 8 2HH1 ARG 8 12.588 -5.916 3.896
67 HH21 ARG 8 1HH2 ARG 8 13.010 -3.872 1.042
68 HH22 ARG 8 2HH2 ARG 8 13.842 -4.779 2.212
69 H ARG 9 H ARG 9 10.433 -0.407 3.298
70 HA ARG 9 HA ARG 9 9.655 2.203 2.490
71 HB2 ARG 9 2HB ARG 9 12.237 1.184 3.701
72 HB3 ARG 9 1HB ARG 9 11.814 2.883 3.515
73 HG2 ARG 9 2HG ARG 9 9.877 2.590 4.954
74 HG3 ARG 9 1HG ARG 9 10.238 0.874 5.104
75 HD2 ARG 9 2HD ARG 9 12.361 1.458 6.218
76 HD3 ARG 9 1HD ARG 9 11.925 3.165 6.105
77 HE ARG 9 HE ARG 9 9.913 1.563 7.336
78 HH11 ARG 9 1HH1 ARG 9 12.951 3.224 8.012
79 HH12 ARG 9 2HH1 ARG 9 12.585 3.591 9.630
80 HH21 ARG 9 1HH2 ARG 9 9.395 2.027 9.613
81 HH22 ARG 9 2HH2 ARG 9 10.554 2.836 10.571
82 H GLY 10 H GLY 10 9.637 2.664 0.472
83 HA2 GLY 10 2HA GLY 10 11.292 3.267 -1.318
84 HA3 GLY 10 1HA GLY 10 11.685 1.555 -1.299
85 H VAL 11 H VAL 11 8.694 1.198 -0.561
86 HA VAL 11 HA VAL 11 7.443 1.926 -3.047
87 HB VAL 11 HB VAL 11 8.559 -0.196 -3.473
88 HG11 VAL 11 1HG1 VAL 11 6.785 -1.391 -1.379
89 HG12 VAL 11 2HG1 VAL 11 8.544 -1.267 -1.360
90 HG13 VAL 11 3HG1 VAL 11 7.747 -2.322 -2.528
91 HG21 VAL 11 3HG2 VAL 11 6.633 -1.453 -4.454
92 HG22 VAL 11 1HG2 VAL 11 6.642 0.273 -4.824
93 HG23 VAL 11 2HG2 VAL 11 5.555 -0.356 -3.589
94 H ABA 12 H ABA 12 7.072 2.885 -0.571
95 HA ABA 12 HA ABA 12 4.751 1.678 0.660
96 HB3 ABA 12 1HB ABA 12 4.684 3.680 2.105
97 HB2 ABA 12 2HB ABA 12 5.998 4.396 1.177
98 HG1 ABA 12 3HG ABA 12 6.820 3.462 3.250
99 HG3 ABA 12 1HG ABA 12 7.468 2.568 1.874
100 HG2 ABA 12 2HG ABA 12 6.152 1.885 2.826
101 H ARG 13 H ARG 13 3.621 1.654 -1.372
102 HA ARG 13 HA ARG 13 2.583 3.957 -2.642
103 HB2 ARG 13 2HB ARG 13 1.457 1.162 -2.494
104 HB3 ARG 13 1HB ARG 13 0.867 2.424 -3.557
105 HG2 ARG 13 2HG ARG 13 3.046 2.492 -4.668
106 HG3 ARG 13 1HG ARG 13 3.604 1.189 -3.611
107 HD2 ARG 13 2HD ARG 13 1.856 -0.268 -4.476
108 HD3 ARG 13 1HD ARG 13 1.269 1.034 -5.512
109 HE ARG 13 HE ARG 13 3.959 0.669 -6.025
110 HH11 ARG 13 1HH1 ARG 13 0.919 -1.117 -6.456
111 HH12 ARG 13 2HH1 ARG 13 1.467 -1.983 -7.823
112 HH21 ARG 13 1HH2 ARG 13 4.712 -0.560 -7.884
113 HH22 ARG 13 2HH2 ARG 13 3.650 -1.664 -8.632
114 H ABA 14 H ABA 14 1.128 5.340 -1.935
115 HA ABA 14 HA ABA 14 -0.336 4.707 0.479
116 HB3 ABA 14 1HB ABA 14 -0.317 7.298 -1.096
117 HB2 ABA 14 2HB ABA 14 0.839 6.932 0.174
118 HG1 ABA 14 3HG ABA 14 -2.139 7.178 0.509
119 HG3 ABA 14 1HG ABA 14 -0.928 8.359 0.998
120 HG2 ABA 14 2HG ABA 14 -0.989 6.788 1.792
121 H VAL 15 H VAL 15 -1.378 3.043 -0.902
122 HA VAL 15 HA VAL 15 -3.449 4.035 -2.656
123 HB VAL 15 HB VAL 15 -3.239 1.201 -1.697
124 HG11 VAL 15 1HG1 VAL 15 -5.253 1.761 -2.897
125 HG12 VAL 15 2HG1 VAL 15 -4.264 0.683 -3.883
126 HG13 VAL 15 3HG1 VAL 15 -4.310 2.412 -4.237
127 HG21 VAL 15 3HG2 VAL 15 -1.723 2.402 -4.015
128 HG22 VAL 15 1HG2 VAL 15 -1.835 0.678 -3.656
129 HG23 VAL 15 2HG2 VAL 15 -1.026 1.762 -2.525
130 H ABA 16 H ABA 16 -5.271 4.665 -1.909
131 HA ABA 16 HA ABA 16 -6.294 3.648 0.626
132 HB3 ABA 16 1HB ABA 16 -7.155 5.937 1.005
133 HB2 ABA 16 2HB ABA 16 -6.266 6.478 -0.409
134 HG1 ABA 16 3HG ABA 16 -5.080 7.035 1.639
135 HG3 ABA 16 1HG ABA 16 -4.164 5.899 0.647
136 HG2 ABA 16 2HG ABA 16 -5.027 5.324 2.068
137 H ARG 17 H ARG 17 -7.271 2.259 -1.252
138 HA ARG 17 HA ARG 17 -9.690 3.609 -2.124
139 HB2 ARG 17 2HB ARG 17 -8.244 1.330 -3.507
140 HB3 ARG 17 1HB ARG 17 -9.716 2.102 -4.068
141 HG2 ARG 17 2HG ARG 17 -8.475 4.221 -4.327
142 HG3 ARG 17 1HG ARG 17 -7.000 3.387 -3.847
143 HD2 ARG 17 2HD ARG 17 -7.063 3.535 -6.238
144 HD3 ARG 17 1HD ARG 17 -7.310 1.851 -5.778
145 HE ARG 17 HE ARG 17 -9.804 2.984 -6.004
146 HH11 ARG 17 1HH1 ARG 17 -7.078 2.392 -8.190
147 HH12 ARG 17 2HH1 ARG 17 -8.052 2.272 -9.578
148 HH21 ARG 17 1HH2 ARG 17 -11.112 2.846 -7.926
149 HH22 ARG 17 2HH2 ARG 17 -10.386 2.570 -9.440
150 H ARG 18 H ARG 18 -11.559 2.421 -1.827
151 HA ARG 18 HA ARG 18 -11.397 0.566 0.354
152 HB2 ARG 18 2HB ARG 18 -13.839 1.476 -1.183
153 HB3 ARG 18 1HB ARG 18 -13.860 0.576 0.320
154 HG2 ARG 18 2HG ARG 18 -12.681 2.444 1.429
155 HG3 ARG 18 1HG ARG 18 -12.770 3.353 -0.076
156 HD2 ARG 18 2HD ARG 18 -15.125 2.344 1.513
157 HD3 ARG 18 1HD ARG 18 -14.531 4.000 1.498
158 HE ARG 18 HE ARG 18 -15.053 3.289 -1.125
159 HH11 ARG 18 1HH1 ARG 18 -16.846 3.777 1.870
160 HH12 ARG 18 2HH1 ARG 18 -18.296 4.226 1.110
161 HH21 ARG 18 1HH2 ARG 18 -17.080 3.913 -2.207
162 HH22 ARG 18 2HH2 ARG 18 -18.425 4.284 -1.266
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -9.923 -1.668 -2.458
2 HA2 GLY 1 2HA GLY 1 -9.920 -3.883 -3.483
3 HA3 GLY 1 1HA GLY 1 -9.258 -3.134 -4.929
4 H VAL 2 H VAL 2 -7.430 -1.447 -3.544
5 HA VAL 2 HA VAL 2 -5.529 -3.408 -2.453
6 HB VAL 2 HB VAL 2 -4.717 -1.109 -4.265
7 HG11 VAL 2 1HG1 VAL 2 -2.978 -1.829 -2.755
8 HG12 VAL 2 2HG1 VAL 2 -2.566 -2.287 -4.405
9 HG13 VAL 2 3HG1 VAL 2 -3.169 -3.500 -3.280
10 HG21 VAL 2 3HG2 VAL 2 -4.292 -2.784 -6.038
11 HG22 VAL 2 1HG2 VAL 2 -6.004 -2.653 -5.623
12 HG23 VAL 2 2HG2 VAL 2 -5.053 -4.011 -5.025
13 H ABA 3 H ABA 3 -5.899 -2.695 -0.368
14 HA ABA 3 HA ABA 3 -6.154 0.081 0.218
15 HB3 ABA 3 1HB ABA 3 -6.163 -0.626 2.605
16 HB2 ABA 3 2HB ABA 3 -5.817 -2.271 2.068
17 HG1 ABA 3 3HG ABA 3 -8.166 -1.998 2.550
18 HG3 ABA 3 1HG ABA 3 -7.905 -2.328 0.838
19 HG2 ABA 3 2HG ABA 3 -8.270 -0.687 1.371
20 H ARG 4 H ARG 4 -4.791 0.830 2.298
21 HA ARG 4 HA ARG 4 -2.222 1.343 1.320
22 HB2 ARG 4 2HB ARG 4 -1.781 2.343 3.578
23 HB3 ARG 4 1HB ARG 4 -3.221 2.954 2.791
24 HG2 ARG 4 2HG ARG 4 -4.568 1.402 4.220
25 HG3 ARG 4 1HG ARG 4 -3.079 1.003 5.082
26 HD2 ARG 4 2HD ARG 4 -4.262 3.761 4.799
27 HD3 ARG 4 1HD ARG 4 -4.368 2.755 6.240
28 HE ARG 4 HE ARG 4 -1.832 2.866 6.155
29 HH11 ARG 4 1HH1 ARG 4 -3.878 5.548 5.064
30 HH12 ARG 4 2HH1 ARG 4 -2.727 6.744 5.432
31 HH21 ARG 4 1HH2 ARG 4 -0.268 4.535 6.688
32 HH22 ARG 4 2HH2 ARG 4 -0.654 6.168 6.379
33 H ABA 5 H ABA 5 -0.459 0.249 1.386
34 HA ABA 5 HA ABA 5 -0.554 -2.406 2.577
35 HB3 ABA 5 1HB ABA 5 1.387 -2.863 1.124
36 HB2 ABA 5 2HB ABA 5 1.375 -1.185 0.601
37 HG1 ABA 5 3HG ABA 5 -0.863 -1.509 -0.343
38 HG3 ABA 5 1HG ABA 5 -0.801 -3.204 0.126
39 HG2 ABA 5 2HG ABA 5 0.335 -2.576 -1.069
40 H VAL 6 H VAL 6 1.686 -3.234 3.273
41 HA VAL 6 HA VAL 6 2.614 -1.705 5.470
42 HB VAL 6 HB VAL 6 3.838 -4.147 4.105
43 HG11 VAL 6 1HG1 VAL 6 4.441 -2.985 6.828
44 HG12 VAL 6 2HG1 VAL 6 5.518 -2.969 5.430
45 HG13 VAL 6 3HG1 VAL 6 5.081 -4.500 6.188
46 HG21 VAL 6 3HG2 VAL 6 1.599 -4.570 5.003
47 HG22 VAL 6 1HG2 VAL 6 2.109 -3.954 6.571
48 HG23 VAL 6 2HG2 VAL 6 2.825 -5.431 5.925
49 H ABA 7 H ABA 7 4.532 -0.568 5.650
50 HA ABA 7 HA ABA 7 5.258 0.840 3.312
51 HB3 ABA 7 1HB ABA 7 6.780 2.110 4.814
52 HB2 ABA 7 2HB ABA 7 6.319 1.025 6.122
53 HG1 ABA 7 3HG ABA 7 5.080 3.112 6.222
54 HG3 ABA 7 1HG ABA 7 4.006 1.745 5.921
55 HG2 ABA 7 2HG ABA 7 4.453 2.822 4.597
56 H ARG 8 H ARG 8 6.057 -1.131 2.180
57 HA ARG 8 HA ARG 8 8.823 -1.712 2.803
58 HB2 ARG 8 2HB ARG 8 6.961 -2.788 0.683
59 HB3 ARG 8 1HB ARG 8 8.662 -3.224 0.786
60 HG2 ARG 8 2HG ARG 8 8.293 -4.172 2.993
61 HG3 ARG 8 1HG ARG 8 6.586 -3.718 2.900
62 HD2 ARG 8 2HD ARG 8 6.319 -5.172 0.940
63 HD3 ARG 8 1HD ARG 8 8.027 -5.579 1.032
64 HE ARG 8 HE ARG 8 7.633 -6.697 3.075
65 HH11 ARG 8 1HH1 ARG 8 4.627 -5.720 1.473
66 HH12 ARG 8 2HH1 ARG 8 3.710 -6.993 2.122
67 HH21 ARG 8 1HH2 ARG 8 6.413 -8.400 3.941
68 HH22 ARG 8 2HH2 ARG 8 4.743 -8.589 3.558
69 H ARG 9 H ARG 9 10.366 -0.764 1.861
70 HA ARG 9 HA ARG 9 9.987 1.737 0.705
71 HB2 ARG 9 2HB ARG 9 12.473 0.032 0.798
72 HB3 ARG 9 1HB ARG 9 12.447 1.742 0.407
73 HG2 ARG 9 2HG ARG 9 11.603 2.264 2.634
74 HG3 ARG 9 1HG ARG 9 11.559 0.546 3.028
75 HD2 ARG 9 2HD ARG 9 13.980 0.418 2.712
76 HD3 ARG 9 1HD ARG 9 14.018 2.141 2.327
77 HE ARG 9 HE ARG 9 12.800 1.854 4.810
78 HH11 ARG 9 1HH1 ARG 9 16.008 1.305 3.399
79 HH12 ARG 9 2HH1 ARG 9 16.837 1.596 4.862
80 HH21 ARG 9 1HH2 ARG 9 13.989 2.227 6.835
81 HH22 ARG 9 2HH2 ARG 9 15.690 2.114 6.801
82 H GLY 10 H GLY 10 8.882 1.803 -1.178
83 HA2 GLY 10 2HA GLY 10 9.568 2.114 -3.539
84 HA3 GLY 10 1HA GLY 10 10.146 0.455 -3.466
85 H VAL 11 H VAL 11 7.598 -0.120 -1.756
86 HA VAL 11 HA VAL 11 5.707 -0.035 -3.977
87 HB VAL 11 HB VAL 11 4.993 -2.387 -3.509
88 HG11 VAL 11 1HG1 VAL 11 6.859 -3.497 -4.670
89 HG12 VAL 11 2HG1 VAL 11 7.877 -2.093 -4.347
90 HG13 VAL 11 3HG1 VAL 11 6.470 -1.935 -5.396
91 HG21 VAL 11 3HG2 VAL 11 7.503 -2.486 -1.830
92 HG22 VAL 11 1HG2 VAL 11 6.525 -3.884 -2.283
93 HG23 VAL 11 2HG2 VAL 11 5.844 -2.626 -1.250
94 H ABA 12 H ABA 12 5.845 1.510 -1.678
95 HA ABA 12 HA ABA 12 3.445 0.561 -0.316
96 HB3 ABA 12 1HB ABA 12 5.262 0.434 1.242
97 HB2 ABA 12 2HB ABA 12 4.156 1.714 1.735
98 HG1 ABA 12 3HG ABA 12 6.453 2.382 2.075
99 HG3 ABA 12 1HG ABA 12 5.688 3.387 0.845
100 HG2 ABA 12 2HG ABA 12 6.796 2.104 0.368
101 H ARG 13 H ARG 13 1.807 1.918 -0.057
102 HA ARG 13 HA ARG 13 2.164 4.743 -0.561
103 HB2 ARG 13 2HB ARG 13 1.417 3.619 -2.695
104 HB3 ARG 13 1HB ARG 13 -0.021 3.084 -1.841
105 HG2 ARG 13 2HG ARG 13 -0.715 5.383 -1.502
106 HG3 ARG 13 1HG ARG 13 0.769 5.960 -2.264
107 HD2 ARG 13 2HD ARG 13 -1.403 4.330 -3.563
108 HD3 ARG 13 1HD ARG 13 -1.056 6.037 -3.856
109 HE ARG 13 HE ARG 13 1.285 4.752 -4.372
110 HH11 ARG 13 1HH1 ARG 13 -1.975 4.725 -5.741
111 HH12 ARG 13 2HH1 ARG 13 -1.511 4.049 -7.225
112 HH21 ARG 13 1HH2 ARG 13 1.926 3.790 -6.415
113 HH22 ARG 13 2HH2 ARG 13 0.766 3.513 -7.612
114 H ABA 14 H ABA 14 0.975 5.874 0.886
115 HA ABA 14 HA ABA 14 -0.350 4.253 2.889
116 HB3 ABA 14 1HB ABA 14 -0.144 6.244 4.305
117 HB2 ABA 14 2HB ABA 14 0.574 7.132 2.963
118 HG1 ABA 14 3HG ABA 14 2.457 5.571 2.945
119 HG3 ABA 14 1HG ABA 14 1.741 4.698 4.301
120 HG2 ABA 14 2HG ABA 14 2.279 6.365 4.511
121 H VAL 15 H VAL 15 -1.902 4.323 0.765
122 HA VAL 15 HA VAL 15 -4.146 5.992 1.621
123 HB VAL 15 HB VAL 15 -3.449 5.569 -1.290
124 HG11 VAL 15 1HG1 VAL 15 -5.818 5.763 -0.917
125 HG12 VAL 15 2HG1 VAL 15 -5.235 7.205 -1.753
126 HG13 VAL 15 3HG1 VAL 15 -5.588 7.269 -0.029
127 HG21 VAL 15 3HG2 VAL 15 -1.839 7.152 -0.363
128 HG22 VAL 15 1HG2 VAL 15 -3.153 8.128 0.291
129 HG23 VAL 15 2HG2 VAL 15 -2.947 7.983 -1.454
130 H ABA 16 H ABA 16 -5.863 4.725 1.810
131 HA ABA 16 HA ABA 16 -5.702 2.042 0.854
132 HB3 ABA 16 1HB ABA 16 -6.667 2.281 3.052
133 HB2 ABA 16 2HB ABA 16 -7.932 1.731 1.969
134 HG1 ABA 16 3HG ABA 16 -7.588 4.554 2.920
135 HG3 ABA 16 1HG ABA 16 -8.777 3.389 3.512
136 HG2 ABA 16 2HG ABA 16 -8.846 3.962 1.844
137 H ARG 17 H ARG 17 -6.126 1.559 -1.121
138 HA ARG 17 HA ARG 17 -7.820 3.257 -2.738
139 HB2 ARG 17 2HB ARG 17 -5.811 1.099 -3.342
140 HB3 ARG 17 1HB ARG 17 -6.706 1.989 -4.571
141 HG2 ARG 17 2HG ARG 17 -5.510 3.931 -4.158
142 HG3 ARG 17 1HG ARG 17 -5.031 3.364 -2.548
143 HD2 ARG 17 2HD ARG 17 -4.102 2.088 -5.117
144 HD3 ARG 17 1HD ARG 17 -3.178 3.309 -4.229
145 HE ARG 17 HE ARG 17 -4.035 1.041 -2.678
146 HH11 ARG 17 1HH1 ARG 17 -1.453 2.193 -4.790
147 HH12 ARG 17 2HH1 ARG 17 -0.218 1.336 -4.010
148 HH21 ARG 17 1HH2 ARG 17 -2.334 -0.140 -1.550
149 HH22 ARG 17 2HH2 ARG 17 -0.733 -0.031 -2.123
150 H ARG 18 H ARG 18 -9.342 2.220 -3.992
151 HA ARG 18 HA ARG 18 -10.893 0.234 -2.692
152 HB2 ARG 18 2HB ARG 18 -11.094 1.256 -5.528
153 HB3 ARG 18 1HB ARG 18 -12.307 0.285 -4.711
154 HG2 ARG 18 2HG ARG 18 -12.678 2.079 -3.114
155 HG3 ARG 18 1HG ARG 18 -11.438 3.051 -3.907
156 HD2 ARG 18 2HD ARG 18 -13.630 3.740 -4.673
157 HD3 ARG 18 1HD ARG 18 -12.752 2.968 -5.997
158 HE ARG 18 HE ARG 18 -14.525 1.279 -4.453
159 HH11 ARG 18 1HH1 ARG 18 -14.122 3.208 -7.397
160 HH12 ARG 18 2HH1 ARG 18 -15.425 2.470 -8.219
161 HH21 ARG 18 1HH2 ARG 18 -16.346 0.285 -5.587
162 HH22 ARG 18 2HH2 ARG 18 -16.728 0.775 -7.160
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -10.705 -1.126 -0.711
2 HA2 GLY 1 2HA GLY 1 -12.196 -3.305 -1.469
3 HA3 GLY 1 1HA GLY 1 -11.783 -2.459 -2.959
4 H VAL 2 H VAL 2 -9.348 -1.729 -2.994
5 HA VAL 2 HA VAL 2 -7.654 -3.839 -1.940
6 HB VAL 2 HB VAL 2 -7.735 -3.000 -4.867
7 HG11 VAL 2 1HG1 VAL 2 -5.932 -4.982 -3.489
8 HG12 VAL 2 2HG1 VAL 2 -5.454 -3.393 -4.087
9 HG13 VAL 2 3HG1 VAL 2 -5.962 -4.647 -5.223
10 HG21 VAL 2 3HG2 VAL 2 -9.530 -4.562 -4.288
11 HG22 VAL 2 1HG2 VAL 2 -8.346 -5.683 -3.624
12 HG23 VAL 2 2HG2 VAL 2 -8.345 -5.315 -5.352
13 H ABA 3 H ABA 3 -6.139 -2.779 -0.917
14 HA ABA 3 HA ABA 3 -4.980 -0.412 -2.162
15 HB3 ABA 3 1HB ABA 3 -6.461 0.465 -0.467
16 HB2 ABA 3 2HB ABA 3 -4.785 0.684 0.033
17 HG1 ABA 3 3HG ABA 3 -4.964 -1.207 1.536
18 HG3 ABA 3 1HG ABA 3 -6.639 -1.440 1.041
19 HG2 ABA 3 2HG ABA 3 -6.174 0.026 1.903
20 H ARG 4 H ARG 4 -2.828 -0.193 -1.948
21 HA ARG 4 HA ARG 4 -1.460 -2.449 -0.708
22 HB2 ARG 4 2HB ARG 4 -0.354 -0.333 -2.572
23 HB3 ARG 4 1HB ARG 4 0.538 -1.715 -1.949
24 HG2 ARG 4 2HG ARG 4 -1.002 -3.223 -3.093
25 HG3 ARG 4 1HG ARG 4 -1.890 -1.843 -3.721
26 HD2 ARG 4 2HD ARG 4 0.207 -1.100 -4.853
27 HD3 ARG 4 1HD ARG 4 0.958 -2.610 -4.333
28 HE ARG 4 HE ARG 4 -1.471 -3.151 -5.596
29 HH11 ARG 4 1HH1 ARG 4 1.866 -2.284 -6.425
30 HH12 ARG 4 2HH1 ARG 4 1.728 -2.792 -8.039
31 HH21 ARG 4 1HH2 ARG 4 -1.658 -3.821 -7.795
32 HH22 ARG 4 2HH2 ARG 4 -0.345 -3.675 -8.857
33 H ABA 5 H ABA 5 -1.470 -1.980 1.386
34 HA ABA 5 HA ABA 5 -0.288 0.547 2.259
35 HB3 ABA 5 1HB ABA 5 -2.465 0.190 3.265
36 HB2 ABA 5 2HB ABA 5 -1.251 -0.042 4.516
37 HG1 ABA 5 3HG ABA 5 -1.474 -2.467 4.295
38 HG3 ABA 5 1HG ABA 5 -2.701 -2.239 3.049
39 HG2 ABA 5 2HG ABA 5 -3.016 -1.704 4.697
40 H VAL 6 H VAL 6 1.534 -0.836 1.248
41 HA VAL 6 HA VAL 6 2.686 -2.683 3.163
42 HB VAL 6 HB VAL 6 4.273 -3.290 1.380
43 HG11 VAL 6 1HG1 VAL 6 2.691 -4.329 -0.160
44 HG12 VAL 6 2HG1 VAL 6 1.420 -3.257 0.418
45 HG13 VAL 6 3HG1 VAL 6 2.121 -4.452 1.508
46 HG21 VAL 6 3HG2 VAL 6 4.013 -2.398 -0.901
47 HG22 VAL 6 1HG2 VAL 6 4.458 -1.120 0.235
48 HG23 VAL 6 2HG2 VAL 6 2.791 -1.270 -0.317
49 H ABA 7 H ABA 7 4.480 -2.230 4.365
50 HA ABA 7 HA ABA 7 5.610 0.428 4.011
51 HB3 ABA 7 1HB ABA 7 6.507 0.083 6.318
52 HB2 ABA 7 2HB ABA 7 5.654 -1.450 6.388
53 HG1 ABA 7 3HG ABA 7 3.527 -0.274 6.105
54 HG3 ABA 7 1HG ABA 7 4.391 1.260 6.091
55 HG2 ABA 7 2HG ABA 7 4.393 0.261 7.546
56 H ARG 8 H ARG 8 6.666 -0.617 2.112
57 HA ARG 8 HA ARG 8 8.930 -2.256 2.856
58 HB2 ARG 8 2HB ARG 8 7.791 -1.588 0.133
59 HB3 ARG 8 1HB ARG 8 9.149 -2.658 0.437
60 HG2 ARG 8 2HG ARG 8 6.321 -3.105 1.364
61 HG3 ARG 8 1HG ARG 8 7.086 -3.895 -0.016
62 HD2 ARG 8 2HD ARG 8 7.970 -4.104 2.863
63 HD3 ARG 8 1HD ARG 8 7.072 -5.334 1.984
64 HE ARG 8 HE ARG 8 9.378 -4.736 0.545
65 HH11 ARG 8 1HH1 ARG 8 8.600 -6.152 3.684
66 HH12 ARG 8 2HH1 ARG 8 9.880 -7.266 3.658
67 HH21 ARG 8 1HH2 ARG 8 11.157 -6.212 0.515
68 HH22 ARG 8 2HH2 ARG 8 11.386 -7.293 1.804
69 H ARG 9 H ARG 9 10.911 -1.542 2.507
70 HA ARG 9 HA ARG 9 11.239 1.300 2.397
71 HB2 ARG 9 2HB ARG 9 13.273 -0.914 2.704
72 HB3 ARG 9 1HB ARG 9 13.634 0.809 2.840
73 HG2 ARG 9 2HG ARG 9 12.108 1.005 4.713
74 HG3 ARG 9 1HG ARG 9 11.693 -0.701 4.555
75 HD2 ARG 9 2HD ARG 9 13.252 -0.317 6.368
76 HD3 ARG 9 1HD ARG 9 13.971 -1.311 5.107
77 HE ARG 9 HE ARG 9 15.288 0.509 4.452
78 HH11 ARG 9 1HH1 ARG 9 13.372 1.271 7.340
79 HH12 ARG 9 2HH1 ARG 9 14.479 2.377 7.983
80 HH21 ARG 9 1HH2 ARG 9 16.822 2.063 5.321
81 HH22 ARG 9 2HH2 ARG 9 16.502 2.818 6.819
82 H GLY 10 H GLY 10 10.499 1.671 0.435
83 HA2 GLY 10 2HA GLY 10 12.132 2.387 -1.565
84 HA3 GLY 10 1HA GLY 10 11.774 0.702 -1.944
85 H VAL 11 H VAL 11 9.293 0.332 -1.194
86 HA VAL 11 HA VAL 11 7.678 2.313 -2.611
87 HB VAL 11 HB VAL 11 7.367 -0.709 -2.800
88 HG11 VAL 11 1HG1 VAL 11 5.236 0.466 -2.922
89 HG12 VAL 11 2HG1 VAL 11 5.654 -0.231 -4.485
90 HG13 VAL 11 3HG1 VAL 11 5.860 1.500 -4.209
91 HG21 VAL 11 3HG2 VAL 11 8.034 -0.508 -5.132
92 HG22 VAL 11 1HG2 VAL 11 9.312 0.076 -4.075
93 HG23 VAL 11 2HG2 VAL 11 8.282 1.225 -4.937
94 H ABA 12 H ABA 12 6.586 3.150 -0.975
95 HA ABA 12 HA ABA 12 5.777 1.436 1.222
96 HB3 ABA 12 1HB ABA 12 5.261 3.560 2.402
97 HB2 ABA 12 2HB ABA 12 5.791 4.453 0.982
98 HG1 ABA 12 3HG ABA 12 7.516 4.402 2.687
99 HG3 ABA 12 1HG ABA 12 8.032 3.538 1.237
100 HG2 ABA 12 2HG ABA 12 7.505 2.637 2.656
101 H ARG 13 H ARG 13 3.620 2.848 2.136
102 HA ARG 13 HA ARG 13 1.524 1.716 0.666
103 HB2 ARG 13 2HB ARG 13 0.024 2.980 2.170
104 HB3 ARG 13 1HB ARG 13 1.260 2.067 3.022
105 HG2 ARG 13 2HG ARG 13 2.449 4.005 3.600
106 HG3 ARG 13 1HG ARG 13 1.590 4.982 2.406
107 HD2 ARG 13 2HD ARG 13 0.270 3.688 4.785
108 HD3 ARG 13 1HD ARG 13 0.863 5.355 4.776
109 HE ARG 13 HE ARG 13 -0.699 5.405 2.648
110 HH11 ARG 13 1HH1 ARG 13 -1.452 3.883 5.771
111 HH12 ARG 13 2HH1 ARG 13 -3.100 4.307 5.715
112 HH21 ARG 13 1HH2 ARG 13 -2.922 5.947 2.582
113 HH22 ARG 13 2HH2 ARG 13 -3.976 5.527 3.838
114 H ABA 14 H ABA 14 -0.244 2.744 -0.284
115 HA ABA 14 HA ABA 14 0.228 5.422 -1.343
116 HB3 ABA 14 1HB ABA 14 0.572 3.865 -3.199
117 HB2 ABA 14 2HB ABA 14 -0.965 4.688 -3.425
118 HG1 ABA 14 3HG ABA 14 -2.167 2.742 -2.614
119 HG3 ABA 14 1HG ABA 14 -0.636 1.906 -2.346
120 HG2 ABA 14 2HG ABA 14 -1.128 2.329 -3.983
121 H VAL 15 H VAL 15 -2.221 5.877 -2.440
122 HA VAL 15 HA VAL 15 -3.874 6.333 -0.244
123 HB VAL 15 HB VAL 15 -5.694 6.807 -1.879
124 HG11 VAL 15 1HG1 VAL 15 -4.097 8.541 -1.326
125 HG12 VAL 15 2HG1 VAL 15 -4.576 8.667 -3.020
126 HG13 VAL 15 3HG1 VAL 15 -3.012 7.975 -2.596
127 HG21 VAL 15 3HG2 VAL 15 -5.195 6.689 -4.303
128 HG22 VAL 15 1HG2 VAL 15 -5.213 5.094 -3.548
129 HG23 VAL 15 2HG2 VAL 15 -3.680 5.871 -3.928
130 H ABA 16 H ABA 16 -5.551 5.269 0.648
131 HA ABA 16 HA ABA 16 -5.768 2.456 -0.008
132 HB3 ABA 16 1HB ABA 16 -7.038 2.312 2.131
133 HB2 ABA 16 2HB ABA 16 -6.807 4.039 2.350
134 HG1 ABA 16 3HG ABA 16 -4.391 3.721 2.428
135 HG3 ABA 16 1HG ABA 16 -4.616 1.985 2.219
136 HG2 ABA 16 2HG ABA 16 -5.212 2.786 3.675
137 H ARG 17 H ARG 17 -7.340 1.814 -1.378
138 HA ARG 17 HA ARG 17 -9.735 3.413 -1.510
139 HB2 ARG 17 2HB ARG 17 -8.518 1.376 -3.369
140 HB3 ARG 17 1HB ARG 17 -10.143 2.030 -3.592
141 HG2 ARG 17 2HG ARG 17 -9.241 4.258 -3.799
142 HG3 ARG 17 1HG ARG 17 -7.620 3.658 -3.475
143 HD2 ARG 17 2HD ARG 17 -7.689 2.342 -5.516
144 HD3 ARG 17 1HD ARG 17 -9.337 2.891 -5.834
145 HE ARG 17 HE ARG 17 -8.055 5.194 -5.616
146 HH11 ARG 17 1HH1 ARG 17 -7.158 2.313 -7.437
147 HH12 ARG 17 2HH1 ARG 17 -6.355 3.159 -8.675
148 HH21 ARG 17 1HH2 ARG 17 -6.981 6.368 -7.303
149 HH22 ARG 17 2HH2 ARG 17 -6.245 5.535 -8.600
150 H ARG 18 H ARG 18 -11.678 2.317 -1.600
151 HA ARG 18 HA ARG 18 -11.953 0.430 0.546
152 HB2 ARG 18 2HB ARG 18 -13.999 1.774 -1.237
153 HB3 ARG 18 1HB ARG 18 -14.378 0.789 0.174
154 HG2 ARG 18 2HG ARG 18 -13.427 2.364 1.654
155 HG3 ARG 18 1HG ARG 18 -12.665 3.249 0.336
156 HD2 ARG 18 2HD ARG 18 -14.614 4.420 1.219
157 HD3 ARG 18 1HD ARG 18 -14.836 3.966 -0.465
158 HE ARG 18 HE ARG 18 -16.016 1.937 0.822
159 HH11 ARG 18 1HH1 ARG 18 -16.323 5.432 1.308
160 HH12 ARG 18 2HH1 ARG 18 -17.976 5.381 1.673
161 HH21 ARG 18 1HH2 ARG 18 -18.316 1.867 1.361
162 HH22 ARG 18 2HH2 ARG 18 -19.123 3.324 1.726
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -11.053 -1.538 -0.471
2 HA2 GLY 1 2HA GLY 1 -11.911 -3.306 -1.995
3 HA3 GLY 1 1HA GLY 1 -12.204 -1.988 -3.130
4 H VAL 2 H VAL 2 -9.904 -0.496 -2.614
5 HA VAL 2 HA VAL 2 -7.802 -2.321 -3.417
6 HB VAL 2 HB VAL 2 -6.907 -0.574 -5.034
7 HG11 VAL 2 1HG1 VAL 2 -9.608 -1.746 -5.663
8 HG12 VAL 2 2HG1 VAL 2 -8.051 -2.552 -5.840
9 HG13 VAL 2 3HG1 VAL 2 -8.443 -1.162 -6.852
10 HG21 VAL 2 3HG2 VAL 2 -9.660 0.630 -4.671
11 HG22 VAL 2 1HG2 VAL 2 -8.528 1.055 -5.961
12 HG23 VAL 2 2HG2 VAL 2 -8.107 1.387 -4.288
13 H ABA 3 H ABA 3 -6.659 -2.374 -1.699
14 HA ABA 3 HA ABA 3 -5.621 0.148 -0.614
15 HB3 ABA 3 1HB ABA 3 -5.231 -1.113 1.496
16 HB2 ABA 3 2HB ABA 3 -6.025 -2.509 0.787
17 HG1 ABA 3 3HG ABA 3 -7.512 -1.323 2.280
18 HG3 ABA 3 1HG ABA 3 -8.103 -1.253 0.619
19 HG2 ABA 3 2HG ABA 3 -7.311 0.151 1.331
20 H ARG 4 H ARG 4 -3.488 0.318 -0.480
21 HA ARG 4 HA ARG 4 -1.897 -1.725 -1.794
22 HB2 ARG 4 2HB ARG 4 -1.234 1.069 -0.876
23 HB3 ARG 4 1HB ARG 4 -0.047 -0.022 -1.563
24 HG2 ARG 4 2HG ARG 4 -2.536 0.925 -2.976
25 HG3 ARG 4 1HG ARG 4 -0.919 1.604 -3.201
26 HD2 ARG 4 2HD ARG 4 -0.138 -0.631 -3.910
27 HD3 ARG 4 1HD ARG 4 -1.791 -1.223 -3.781
28 HE ARG 4 HE ARG 4 -1.802 0.979 -5.459
29 HH11 ARG 4 1HH1 ARG 4 -0.522 -2.305 -5.379
30 HH12 ARG 4 2HH1 ARG 4 -0.464 -2.513 -7.061
31 HH21 ARG 4 1HH2 ARG 4 -1.736 0.707 -7.832
32 HH22 ARG 4 2HH2 ARG 4 -1.187 -0.752 -8.491
33 H ABA 5 H ABA 5 0.195 -2.326 -0.838
34 HA ABA 5 HA ABA 5 -0.395 -3.442 1.715
35 HB3 ABA 5 1HB ABA 5 1.765 -4.668 1.399
36 HB2 ABA 5 2HB ABA 5 2.002 -3.762 -0.090
37 HG1 ABA 5 3HG ABA 5 1.117 -5.983 -0.526
38 HG3 ABA 5 1HG ABA 5 -0.030 -4.735 -1.016
39 HG2 ABA 5 2HG ABA 5 -0.282 -5.629 0.484
40 H VAL 6 H VAL 6 2.120 -3.751 2.775
41 HA VAL 6 HA VAL 6 2.270 -1.707 4.627
42 HB VAL 6 HB VAL 6 4.438 -3.675 3.864
43 HG11 VAL 6 1HG1 VAL 6 5.290 -1.911 5.291
44 HG12 VAL 6 2HG1 VAL 6 5.216 -3.438 6.166
45 HG13 VAL 6 3HG1 VAL 6 3.991 -2.198 6.447
46 HG21 VAL 6 3HG2 VAL 6 2.181 -3.942 5.836
47 HG22 VAL 6 1HG2 VAL 6 3.505 -5.094 5.642
48 HG23 VAL 6 2HG2 VAL 6 2.370 -4.814 4.322
49 H ABA 7 H ABA 7 3.503 0.063 4.831
50 HA ABA 7 HA ABA 7 4.801 1.191 2.569
51 HB3 ABA 7 1HB ABA 7 4.614 2.111 5.456
52 HB2 ABA 7 2HB ABA 7 3.491 2.546 4.180
53 HG1 ABA 7 3HG ABA 7 5.249 3.739 3.005
54 HG3 ABA 7 1HG ABA 7 6.404 3.275 4.254
55 HG2 ABA 7 2HG ABA 7 5.057 4.337 4.652
56 H ARG 8 H ARG 8 6.589 -0.022 2.084
57 HA ARG 8 HA ARG 8 8.437 -0.813 4.144
58 HB2 ARG 8 2HB ARG 8 7.958 -1.514 1.257
59 HB3 ARG 8 1HB ARG 8 9.381 -2.082 2.144
60 HG2 ARG 8 2HG ARG 8 8.121 -3.495 3.434
61 HG3 ARG 8 1HG ARG 8 6.668 -2.502 3.225
62 HD2 ARG 8 2HD ARG 8 7.919 -4.070 0.987
63 HD3 ARG 8 1HD ARG 8 6.654 -4.731 2.030
64 HE ARG 8 HE ARG 8 5.773 -2.279 1.130
65 HH11 ARG 8 1HH1 ARG 8 6.609 -5.369 -0.381
66 HH12 ARG 8 2HH1 ARG 8 5.482 -5.222 -1.635
67 HH21 ARG 8 1HH2 ARG 8 4.229 -2.059 -0.617
68 HH22 ARG 8 2HH2 ARG 8 4.096 -3.312 -1.760
69 H ARG 9 H ARG 9 10.716 -0.532 3.442
70 HA ARG 9 HA ARG 9 11.059 2.305 2.939
71 HB2 ARG 9 2HB ARG 9 13.163 0.252 3.657
72 HB3 ARG 9 1HB ARG 9 13.362 1.996 3.676
73 HG2 ARG 9 2HG ARG 9 11.543 0.397 5.470
74 HG3 ARG 9 1HG ARG 9 13.079 1.129 5.929
75 HD2 ARG 9 2HD ARG 9 12.136 3.352 5.488
76 HD3 ARG 9 1HD ARG 9 10.609 2.604 5.015
77 HE ARG 9 HE ARG 9 11.264 1.699 7.561
78 HH11 ARG 9 1HH1 ARG 9 10.200 4.682 5.989
79 HH12 ARG 9 2HH1 ARG 9 9.533 5.373 7.388
80 HH21 ARG 9 1HH2 ARG 9 10.287 2.610 9.482
81 HH22 ARG 9 2HH2 ARG 9 9.546 4.140 9.417
82 H GLY 10 H GLY 10 10.353 2.066 0.798
83 HA2 GLY 10 2HA GLY 10 11.918 2.709 -1.172
84 HA3 GLY 10 1HA GLY 10 12.312 0.993 -1.084
85 H VAL 11 H VAL 11 10.017 -0.233 -0.627
86 HA VAL 11 HA VAL 11 8.506 0.383 -3.055
87 HB VAL 11 HB VAL 11 8.510 -2.193 -1.443
88 HG11 VAL 11 1HG1 VAL 11 7.416 -1.579 -4.188
89 HG12 VAL 11 2HG1 VAL 11 6.472 -1.871 -2.726
90 HG13 VAL 11 3HG1 VAL 11 7.435 -3.171 -3.429
91 HG21 VAL 11 3HG2 VAL 11 10.715 -1.831 -2.441
92 HG22 VAL 11 1HG2 VAL 11 9.965 -1.585 -4.016
93 HG23 VAL 11 2HG2 VAL 11 9.877 -3.162 -3.233
94 H ABA 12 H ABA 12 7.193 1.964 -2.175
95 HA ABA 12 HA ABA 12 5.094 0.849 -0.596
96 HB3 ABA 12 1HB ABA 12 6.493 1.637 1.168
97 HB2 ABA 12 2HB ABA 12 5.072 2.660 1.057
98 HG1 ABA 12 3HG ABA 12 6.365 4.389 -0.050
99 HG3 ABA 12 1HG ABA 12 7.808 3.367 0.032
100 HG2 ABA 12 2HG ABA 12 7.053 3.954 1.519
101 H ARG 13 H ARG 13 3.254 1.469 -1.155
102 HA ARG 13 HA ARG 13 2.754 4.134 -2.197
103 HB2 ARG 13 2HB ARG 13 1.653 1.495 -3.232
104 HB3 ARG 13 1HB ARG 13 0.906 3.038 -3.569
105 HG2 ARG 13 2HG ARG 13 3.692 2.247 -4.428
106 HG3 ARG 13 1HG ARG 13 2.257 2.137 -5.443
107 HD2 ARG 13 2HD ARG 13 3.375 4.155 -6.052
108 HD3 ARG 13 1HD ARG 13 1.965 4.627 -5.106
109 HE ARG 13 HE ARG 13 4.334 4.332 -3.529
110 HH11 ARG 13 1HH1 ARG 13 2.520 6.661 -5.514
111 HH12 ARG 13 2HH1 ARG 13 3.311 8.014 -4.890
112 HH21 ARG 13 1HH2 ARG 13 5.402 6.196 -2.666
113 HH22 ARG 13 2HH2 ARG 13 4.964 7.741 -3.198
114 H ABA 14 H ABA 14 0.947 4.967 -1.121
115 HA ABA 14 HA ABA 14 -0.239 3.073 0.755
116 HB3 ABA 14 1HB ABA 14 0.333 5.985 1.339
117 HB2 ABA 14 2HB ABA 14 1.402 4.671 1.813
118 HG1 ABA 14 3HG ABA 14 -0.331 3.733 3.225
119 HG3 ABA 14 1HG ABA 14 -1.446 5.001 2.724
120 HG2 ABA 14 2HG ABA 14 -0.008 5.407 3.662
121 H VAL 15 H VAL 15 -1.733 2.894 -1.061
122 HA VAL 15 HA VAL 15 -3.662 5.083 -1.062
123 HB VAL 15 HB VAL 15 -3.604 2.705 -2.909
124 HG11 VAL 15 1HG1 VAL 15 -5.793 3.671 -2.705
125 HG12 VAL 15 2HG1 VAL 15 -5.154 4.003 -4.311
126 HG13 VAL 15 3HG1 VAL 15 -5.165 5.274 -3.082
127 HG21 VAL 15 3HG2 VAL 15 -2.730 4.218 -4.661
128 HG22 VAL 15 1HG2 VAL 15 -1.605 4.035 -3.317
129 HG23 VAL 15 2HG2 VAL 15 -2.582 5.497 -3.458
130 H ABA 16 H ABA 16 -5.441 4.753 0.048
131 HA ABA 16 HA ABA 16 -6.185 2.049 0.744
132 HB3 ABA 16 1HB ABA 16 -5.164 2.820 2.737
133 HB2 ABA 16 2HB ABA 16 -6.904 2.994 2.962
134 HG1 ABA 16 3HG ABA 16 -5.051 5.249 2.288
135 HG3 ABA 16 1HG ABA 16 -5.714 4.895 3.883
136 HG2 ABA 16 2HG ABA 16 -6.791 5.361 2.563
137 H ARG 17 H ARG 17 -7.776 1.978 -0.787
138 HA ARG 17 HA ARG 17 -10.072 3.706 -0.293
139 HB2 ARG 17 2HB ARG 17 -9.260 2.255 -2.819
140 HB3 ARG 17 1HB ARG 17 -10.716 3.206 -2.625
141 HG2 ARG 17 2HG ARG 17 -9.345 5.220 -2.332
142 HG3 ARG 17 1HG ARG 17 -7.893 4.245 -2.573
143 HD2 ARG 17 2HD ARG 17 -8.764 3.570 -4.789
144 HD3 ARG 17 1HD ARG 17 -10.135 4.647 -4.542
145 HE ARG 17 HE ARG 17 -7.984 6.256 -4.217
146 HH11 ARG 17 1HH1 ARG 17 -9.193 4.166 -6.790
147 HH12 ARG 17 2HH1 ARG 17 -8.394 4.995 -8.039
148 HH21 ARG 17 1HH2 ARG 17 -6.842 7.396 -5.970
149 HH22 ARG 17 2HH2 ARG 17 -7.027 6.855 -7.572
150 H ARG 18 H ARG 18 -12.071 2.530 -0.424
151 HA ARG 18 HA ARG 18 -11.874 -0.070 0.730
152 HB2 ARG 18 2HB ARG 18 -14.225 1.627 -0.078
153 HB3 ARG 18 1HB ARG 18 -14.457 -0.061 0.337
154 HG2 ARG 18 2HG ARG 18 -14.948 1.307 2.254
155 HG3 ARG 18 1HG ARG 18 -13.485 0.385 2.568
156 HD2 ARG 18 2HD ARG 18 -13.197 2.630 3.380
157 HD3 ARG 18 1HD ARG 18 -12.155 2.391 1.979
158 HE ARG 18 HE ARG 18 -14.637 3.482 1.182
159 HH11 ARG 18 1HH1 ARG 18 -11.633 4.442 2.797
160 HH12 ARG 18 2HH1 ARG 18 -11.754 6.075 2.361
161 HH21 ARG 18 1HH2 ARG 18 -14.833 5.681 0.626
162 HH22 ARG 18 2HH2 ARG 18 -13.649 6.816 1.081
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -8.998 -1.468 -1.538
2 HA2 GLY 1 2HA GLY 1 -9.315 -3.929 -2.676
3 HA3 GLY 1 1HA GLY 1 -9.208 -2.809 -4.038
4 H VAL 2 H VAL 2 -7.588 -0.911 -2.777
5 HA VAL 2 HA VAL 2 -5.186 -2.309 -2.032
6 HB VAL 2 HB VAL 2 -3.790 -0.659 -3.423
7 HG11 VAL 2 1HG1 VAL 2 -3.955 -3.008 -4.008
8 HG12 VAL 2 2HG1 VAL 2 -3.902 -2.004 -5.455
9 HG13 VAL 2 3HG1 VAL 2 -5.437 -2.691 -4.912
10 HG21 VAL 2 3HG2 VAL 2 -6.422 -0.309 -4.874
11 HG22 VAL 2 1HG2 VAL 2 -4.847 0.209 -5.488
12 HG23 VAL 2 2HG2 VAL 2 -5.502 0.937 -4.030
13 H ABA 3 H ABA 3 -5.871 -1.673 -0.020
14 HA ABA 3 HA ABA 3 -5.705 1.133 0.672
15 HB3 ABA 3 1HB ABA 3 -6.019 0.253 3.022
16 HB2 ABA 3 2HB ABA 3 -6.117 -1.360 2.337
17 HG1 ABA 3 3HG ABA 3 -8.082 -0.715 1.057
18 HG3 ABA 3 1HG ABA 3 -7.982 0.911 1.727
19 HG2 ABA 3 2HG ABA 3 -8.326 -0.455 2.789
20 H ARG 4 H ARG 4 -4.285 1.388 2.853
21 HA ARG 4 HA ARG 4 -1.625 0.937 1.931
22 HB2 ARG 4 2HB ARG 4 -0.841 2.040 3.980
23 HB3 ARG 4 1HB ARG 4 -2.153 2.952 3.274
24 HG2 ARG 4 2HG ARG 4 -3.689 2.063 4.965
25 HG3 ARG 4 1HG ARG 4 -2.376 1.113 5.648
26 HD2 ARG 4 2HD ARG 4 -2.608 3.060 6.995
27 HD3 ARG 4 1HD ARG 4 -1.145 3.264 6.033
28 HE ARG 4 HE ARG 4 -3.397 4.375 4.750
29 HH11 ARG 4 1HH1 ARG 4 -0.934 5.090 7.196
30 HH12 ARG 4 2HH1 ARG 4 -1.285 6.748 7.253
31 HH21 ARG 4 1HH2 ARG 4 -3.831 6.654 4.795
32 HH22 ARG 4 2HH2 ARG 4 -2.942 7.669 5.830
33 H ABA 5 H ABA 5 -1.308 -1.182 1.687
34 HA ABA 5 HA ABA 5 -0.751 -2.618 4.164
35 HB3 ABA 5 1HB ABA 5 -2.921 -3.512 3.484
36 HB2 ABA 5 2HB ABA 5 -1.696 -4.744 3.226
37 HG1 ABA 5 3HG ABA 5 -2.901 -3.001 1.091
38 HG3 ABA 5 1HG ABA 5 -3.273 -4.701 1.389
39 HG2 ABA 5 2HG ABA 5 -1.662 -4.227 0.840
40 H VAL 6 H VAL 6 0.634 -1.235 2.107
41 HA VAL 6 HA VAL 6 2.667 -3.254 1.475
42 HB VAL 6 HB VAL 6 2.004 -0.935 -0.225
43 HG11 VAL 6 1HG1 VAL 6 4.259 -1.655 -0.529
44 HG12 VAL 6 2HG1 VAL 6 3.368 -2.116 -1.984
45 HG13 VAL 6 3HG1 VAL 6 3.753 -3.324 -0.765
46 HG21 VAL 6 3HG2 VAL 6 0.981 -2.467 -1.928
47 HG22 VAL 6 1HG2 VAL 6 0.069 -2.370 -0.418
48 HG23 VAL 6 2HG2 VAL 6 1.093 -3.770 -0.746
49 H ABA 7 H ABA 7 3.872 -2.551 3.061
50 HA ABA 7 HA ABA 7 4.658 0.261 3.153
51 HB3 ABA 7 1HB ABA 7 5.097 -0.135 5.563
52 HB2 ABA 7 2HB ABA 7 4.373 -1.727 5.404
53 HG1 ABA 7 3HG ABA 7 2.245 -0.709 4.768
54 HG3 ABA 7 1HG ABA 7 2.952 0.890 4.966
55 HG2 ABA 7 2HG ABA 7 2.783 -0.172 6.361
56 H ARG 8 H ARG 8 6.255 -0.507 1.528
57 HA ARG 8 HA ARG 8 8.465 -1.803 2.860
58 HB2 ARG 8 2HB ARG 8 7.641 -1.941 -0.046
59 HB3 ARG 8 1HB ARG 8 9.205 -2.494 0.553
60 HG2 ARG 8 2HG ARG 8 8.056 -4.088 2.027
61 HG3 ARG 8 1HG ARG 8 6.512 -3.561 1.362
62 HD2 ARG 8 2HD ARG 8 8.743 -4.685 -0.301
63 HD3 ARG 8 1HD ARG 8 7.468 -5.674 0.389
64 HE ARG 8 HE ARG 8 5.919 -4.249 -0.890
65 HH11 ARG 8 1HH1 ARG 8 9.273 -4.577 -2.004
66 HH12 ARG 8 2HH1 ARG 8 8.906 -4.507 -3.656
67 HH21 ARG 8 1HH2 ARG 8 5.387 -4.204 -3.193
68 HH22 ARG 8 2HH2 ARG 8 6.641 -4.280 -4.351
69 H ARG 9 H ARG 9 10.537 -1.010 2.233
70 HA ARG 9 HA ARG 9 10.390 1.883 2.237
71 HB2 ARG 9 2HB ARG 9 12.893 0.215 2.492
72 HB3 ARG 9 1HB ARG 9 12.667 1.884 2.985
73 HG2 ARG 9 2HG ARG 9 11.392 -0.535 4.248
74 HG3 ARG 9 1HG ARG 9 12.690 0.447 4.925
75 HD2 ARG 9 2HD ARG 9 9.904 1.433 4.312
76 HD3 ARG 9 1HD ARG 9 10.455 0.918 5.896
77 HE ARG 9 HE ARG 9 11.886 3.086 4.563
78 HH11 ARG 9 1HH1 ARG 9 9.634 2.066 7.078
79 HH12 ARG 9 2HH1 ARG 9 9.724 3.513 7.965
80 HH21 ARG 9 1HH2 ARG 9 11.999 5.105 5.763
81 HH22 ARG 9 2HH2 ARG 9 11.112 5.280 7.202
82 H GLY 10 H GLY 10 9.729 2.099 0.147
83 HA2 GLY 10 2HA GLY 10 11.183 3.178 -1.724
84 HA3 GLY 10 1HA GLY 10 11.574 1.480 -2.025
85 H VAL 11 H VAL 11 9.284 0.252 -1.475
86 HA VAL 11 HA VAL 11 7.398 1.411 -3.388
87 HB VAL 11 HB VAL 11 7.693 -1.541 -2.734
88 HG11 VAL 11 1HG1 VAL 11 5.469 -0.916 -3.511
89 HG12 VAL 11 2HG1 VAL 11 6.294 -1.889 -4.729
90 HG13 VAL 11 3HG1 VAL 11 6.166 -0.140 -4.933
91 HG21 VAL 11 3HG2 VAL 11 8.694 -0.080 -5.176
92 HG22 VAL 11 1HG2 VAL 11 8.754 -1.823 -4.929
93 HG23 VAL 11 2HG2 VAL 11 9.709 -0.752 -3.902
94 H ABA 12 H ABA 12 6.628 2.576 -1.548
95 HA ABA 12 HA ABA 12 5.011 0.941 0.253
96 HB3 ABA 12 1HB ABA 12 5.837 3.850 0.460
97 HB2 ABA 12 2HB ABA 12 6.497 2.511 1.402
98 HG1 ABA 12 3HG ABA 12 4.955 3.794 2.737
99 HG3 ABA 12 1HG ABA 12 4.320 2.175 2.456
100 HG2 ABA 12 2HG ABA 12 3.678 3.544 1.551
101 H ARG 13 H ARG 13 2.931 0.901 -0.079
102 HA ARG 13 HA ARG 13 1.829 2.905 -1.892
103 HB2 ARG 13 2HB ARG 13 2.046 0.769 -3.056
104 HB3 ARG 13 1HB ARG 13 1.190 -0.053 -1.769
105 HG2 ARG 13 2HG ARG 13 -0.870 0.885 -2.405
106 HG3 ARG 13 1HG ARG 13 -0.078 2.094 -3.422
107 HD2 ARG 13 2HD ARG 13 0.066 -0.877 -3.927
108 HD3 ARG 13 1HD ARG 13 -1.091 0.206 -4.711
109 HE ARG 13 HE ARG 13 1.199 1.441 -5.210
110 HH11 ARG 13 1HH1 ARG 13 0.401 -1.973 -5.679
111 HH12 ARG 13 2HH1 ARG 13 1.395 -2.158 -7.042
112 HH21 ARG 13 1HH2 ARG 13 2.583 1.175 -7.066
113 HH22 ARG 13 2HH2 ARG 13 2.703 -0.345 -7.817
114 H ABA 14 H ABA 14 1.109 4.198 -0.406
115 HA ABA 14 HA ABA 14 -0.797 3.259 1.580
116 HB3 ABA 14 1HB ABA 14 0.654 5.912 1.284
117 HB2 ABA 14 2HB ABA 14 1.163 4.612 2.345
118 HG1 ABA 14 3HG ABA 14 0.046 6.359 3.589
119 HG3 ABA 14 1HG ABA 14 -0.890 4.867 3.646
120 HG2 ABA 14 2HG ABA 14 -1.390 6.178 2.583
121 H VAL 15 H VAL 15 -2.378 2.959 -0.078
122 HA VAL 15 HA VAL 15 -3.413 5.450 -1.203
123 HB VAL 15 HB VAL 15 -3.643 2.640 -2.372
124 HG11 VAL 15 1HG1 VAL 15 -4.478 5.290 -3.547
125 HG12 VAL 15 2HG1 VAL 15 -5.553 4.058 -2.895
126 HG13 VAL 15 3HG1 VAL 15 -4.597 3.716 -4.341
127 HG21 VAL 15 3HG2 VAL 15 -2.009 4.984 -3.329
128 HG22 VAL 15 1HG2 VAL 15 -2.160 3.427 -4.140
129 HG23 VAL 15 2HG2 VAL 15 -1.375 3.532 -2.560
130 H ABA 16 H ABA 16 -5.718 5.621 -1.264
131 HA ABA 16 HA ABA 16 -7.025 3.973 0.742
132 HB3 ABA 16 1HB ABA 16 -6.898 6.162 1.629
133 HB2 ABA 16 2HB ABA 16 -8.539 6.007 1.010
134 HG1 ABA 16 3HG ABA 16 -6.295 7.429 -0.390
135 HG3 ABA 16 1HG ABA 16 -7.617 8.189 0.492
136 HG2 ABA 16 2HG ABA 16 -7.952 7.271 -0.975
137 H ARG 17 H ARG 17 -7.339 2.519 -1.122
138 HA ARG 17 HA ARG 17 -9.847 3.143 -2.474
139 HB2 ARG 17 2HB ARG 17 -7.453 1.645 -3.576
140 HB3 ARG 17 1HB ARG 17 -9.029 1.668 -4.355
141 HG2 ARG 17 2HG ARG 17 -8.837 4.034 -4.724
142 HG3 ARG 17 1HG ARG 17 -7.310 4.085 -3.845
143 HD2 ARG 17 2HD ARG 17 -6.875 4.089 -6.226
144 HD3 ARG 17 1HD ARG 17 -6.336 2.563 -5.537
145 HE ARG 17 HE ARG 17 -9.000 2.483 -6.566
146 HH11 ARG 17 1HH1 ARG 17 -5.582 2.138 -7.464
147 HH12 ARG 17 2HH1 ARG 17 -5.897 1.216 -8.854
148 HH21 ARG 17 1HH2 ARG 17 -9.430 1.251 -8.489
149 HH22 ARG 17 2HH2 ARG 17 -8.138 0.735 -9.483
150 H ARG 18 H ARG 18 -11.296 1.393 -2.447
151 HA ARG 18 HA ARG 18 -10.705 -0.590 -0.441
152 HB2 ARG 18 2HB ARG 18 -13.211 -0.249 -2.120
153 HB3 ARG 18 1HB ARG 18 -13.041 -1.374 -0.782
154 HG2 ARG 18 2HG ARG 18 -12.649 0.552 0.728
155 HG3 ARG 18 1HG ARG 18 -12.947 1.629 -0.633
156 HD2 ARG 18 2HD ARG 18 -14.963 1.465 0.665
157 HD3 ARG 18 1HD ARG 18 -15.205 0.625 -0.859
158 HE ARG 18 HE ARG 18 -14.710 -1.468 0.440
159 HH11 ARG 18 1HH1 ARG 18 -16.103 1.366 2.083
160 HH12 ARG 18 2HH1 ARG 18 -16.890 0.447 3.264
161 HH21 ARG 18 1HH2 ARG 18 -15.808 -2.699 2.049
162 HH22 ARG 18 2HH2 ARG 18 -16.733 -1.937 3.265
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -10.352 -1.492 -1.339
2 HA2 GLY 1 2HA GLY 1 -10.819 -3.544 -2.627
3 HA3 GLY 1 1HA GLY 1 -10.681 -2.541 -4.069
4 H VAL 2 H VAL 2 -8.478 -0.972 -3.146
5 HA VAL 2 HA VAL 2 -6.343 -2.902 -2.887
6 HB VAL 2 HB VAL 2 -5.026 -1.689 -4.746
7 HG11 VAL 2 1HG1 VAL 2 -7.416 -3.348 -5.518
8 HG12 VAL 2 2HG1 VAL 2 -5.849 -3.966 -5.002
9 HG13 VAL 2 3HG1 VAL 2 -5.990 -3.080 -6.520
10 HG21 VAL 2 3HG2 VAL 2 -6.392 -0.699 -6.559
11 HG22 VAL 2 1HG2 VAL 2 -6.494 0.232 -5.063
12 HG23 VAL 2 2HG2 VAL 2 -7.819 -0.834 -5.528
13 H ABA 3 H ABA 3 -6.044 -2.077 -0.839
14 HA ABA 3 HA ABA 3 -4.576 0.427 -0.822
15 HB3 ABA 3 1HB ABA 3 -6.717 1.100 -0.036
16 HB2 ABA 3 2HB ABA 3 -5.671 1.030 1.382
17 HG1 ABA 3 3HG ABA 3 -7.871 0.155 1.875
18 HG3 ABA 3 1HG ABA 3 -6.656 -1.121 1.991
19 HG2 ABA 3 2HG ABA 3 -7.704 -1.026 0.577
20 H ARG 4 H ARG 4 -2.749 -0.785 -0.827
21 HA ARG 4 HA ARG 4 -2.325 -2.752 1.223
22 HB2 ARG 4 2HB ARG 4 -0.439 -1.722 -0.888
23 HB3 ARG 4 1HB ARG 4 -0.116 -3.072 0.187
24 HG2 ARG 4 2HG ARG 4 -2.027 -4.273 -0.765
25 HG3 ARG 4 1HG ARG 4 -2.302 -2.921 -1.865
26 HD2 ARG 4 2HD ARG 4 -0.035 -3.258 -2.785
27 HD3 ARG 4 1HD ARG 4 0.152 -4.661 -1.736
28 HE ARG 4 HE ARG 4 -2.190 -5.005 -3.131
29 HH11 ARG 4 1HH1 ARG 4 1.267 -4.790 -3.931
30 HH12 ARG 4 2HH1 ARG 4 1.142 -5.766 -5.314
31 HH21 ARG 4 1HH2 ARG 4 -2.325 -6.375 -5.039
32 HH22 ARG 4 2HH2 ARG 4 -0.920 -6.692 -5.951
33 H ABA 5 H ABA 5 -1.829 -2.181 3.154
34 HA ABA 5 HA ABA 5 -0.285 0.223 3.679
35 HB3 ABA 5 1HB ABA 5 -1.510 -1.795 5.605
36 HB2 ABA 5 2HB ABA 5 -2.285 -0.300 5.098
37 HG1 ABA 5 3HG ABA 5 -1.322 -0.062 7.308
38 HG3 ABA 5 1HG ABA 5 -0.487 0.988 6.165
39 HG2 ABA 5 2HG ABA 5 0.261 -0.521 6.689
40 H VAL 6 H VAL 6 1.590 -0.504 2.690
41 HA VAL 6 HA VAL 6 3.007 -2.663 4.050
42 HB VAL 6 HB VAL 6 2.411 -3.321 1.792
43 HG11 VAL 6 1HG1 VAL 6 2.060 -1.186 0.772
44 HG12 VAL 6 2HG1 VAL 6 3.174 -2.143 -0.200
45 HG13 VAL 6 3HG1 VAL 6 3.790 -0.838 0.823
46 HG21 VAL 6 3HG2 VAL 6 5.341 -2.635 1.912
47 HG22 VAL 6 1HG2 VAL 6 4.616 -3.796 0.803
48 HG23 VAL 6 2HG2 VAL 6 4.585 -4.100 2.539
49 H ABA 7 H ABA 7 5.299 -2.335 4.326
50 HA ABA 7 HA ABA 7 6.108 0.447 4.117
51 HB3 ABA 7 1HB ABA 7 5.626 0.230 6.413
52 HB2 ABA 7 2HB ABA 7 7.370 -0.005 6.282
53 HG1 ABA 7 3HG ABA 7 5.369 -2.211 6.581
54 HG3 ABA 7 1HG ABA 7 6.409 -1.572 7.855
55 HG2 ABA 7 2HG ABA 7 7.112 -2.401 6.462
56 H ARG 8 H ARG 8 6.974 -0.565 2.044
57 HA ARG 8 HA ARG 8 9.546 -1.818 2.516
58 HB2 ARG 8 2HB ARG 8 7.673 -1.825 0.150
59 HB3 ARG 8 1HB ARG 8 9.348 -2.348 0.053
60 HG2 ARG 8 2HG ARG 8 7.309 -3.570 1.895
61 HG3 ARG 8 1HG ARG 8 7.715 -4.208 0.296
62 HD2 ARG 8 2HD ARG 8 10.068 -4.367 1.025
63 HD3 ARG 8 1HD ARG 8 9.572 -3.856 2.639
64 HE ARG 8 HE ARG 8 8.022 -6.005 2.128
65 HH11 ARG 8 1HH1 ARG 8 11.480 -5.379 2.059
66 HH12 ARG 8 2HH1 ARG 8 11.953 -6.955 2.473
67 HH21 ARG 8 1HH2 ARG 8 8.622 -8.205 2.676
68 HH22 ARG 8 2HH2 ARG 8 10.252 -8.620 2.857
69 H ARG 9 H ARG 9 11.188 -1.088 1.023
70 HA ARG 9 HA ARG 9 11.225 1.805 0.958
71 HB2 ARG 9 2HB ARG 9 13.384 -0.144 0.116
72 HB3 ARG 9 1HB ARG 9 13.578 1.587 0.304
73 HG2 ARG 9 2HG ARG 9 13.111 -0.463 2.462
74 HG3 ARG 9 1HG ARG 9 14.541 0.539 2.205
75 HD2 ARG 9 2HD ARG 9 11.807 1.448 3.086
76 HD3 ARG 9 1HD ARG 9 13.283 1.427 4.047
77 HE ARG 9 HE ARG 9 13.856 2.999 1.897
78 HH11 ARG 9 1HH1 ARG 9 11.505 3.057 4.528
79 HH12 ARG 9 2HH1 ARG 9 11.243 4.729 4.485
80 HH21 ARG 9 1HH2 ARG 9 13.502 5.340 1.797
81 HH22 ARG 9 2HH2 ARG 9 12.415 6.055 2.880
82 H GLY 10 H GLY 10 9.807 2.302 -0.586
83 HA2 GLY 10 2HA GLY 10 10.071 3.064 -2.970
84 HA3 GLY 10 1HA GLY 10 10.344 1.353 -3.320
85 H VAL 11 H VAL 11 8.611 0.039 -1.924
86 HA VAL 11 HA VAL 11 6.051 1.053 -2.881
87 HB VAL 11 HB VAL 11 6.750 -1.787 -2.036
88 HG11 VAL 11 1HG1 VAL 11 4.284 -0.696 -3.397
89 HG12 VAL 11 2HG1 VAL 11 4.384 -1.248 -1.726
90 HG13 VAL 11 3HG1 VAL 11 4.602 -2.396 -3.050
91 HG21 VAL 11 3HG2 VAL 11 6.657 -2.341 -4.414
92 HG22 VAL 11 1HG2 VAL 11 7.909 -1.139 -4.103
93 HG23 VAL 11 2HG2 VAL 11 6.372 -0.645 -4.809
94 H ABA 12 H ABA 12 5.813 2.454 -1.223
95 HA ABA 12 HA ABA 12 5.482 1.368 1.450
96 HB3 ABA 12 1HB ABA 12 5.027 3.736 2.122
97 HB2 ABA 12 2HB ABA 12 5.288 4.220 0.453
98 HG1 ABA 12 3HG ABA 12 7.577 3.397 0.572
99 HG3 ABA 12 1HG ABA 12 7.311 2.930 2.250
100 HG2 ABA 12 2HG ABA 12 7.257 4.638 1.788
101 H ARG 13 H ARG 13 3.525 2.627 2.526
102 HA ARG 13 HA ARG 13 1.225 1.335 1.855
103 HB2 ARG 13 2HB ARG 13 0.053 3.032 3.239
104 HB3 ARG 13 1HB ARG 13 1.439 2.277 4.004
105 HG2 ARG 13 2HG ARG 13 2.806 4.244 3.495
106 HG3 ARG 13 1HG ARG 13 1.416 5.008 2.728
107 HD2 ARG 13 2HD ARG 13 1.824 5.776 5.048
108 HD3 ARG 13 1HD ARG 13 0.231 5.071 4.805
109 HE ARG 13 HE ARG 13 0.870 3.189 5.989
110 HH11 ARG 13 1HH1 ARG 13 3.427 5.637 5.950
111 HH12 ARG 13 2HH1 ARG 13 4.220 5.064 7.333
112 HH21 ARG 13 1HH2 ARG 13 2.060 2.337 7.937
113 HH22 ARG 13 2HH2 ARG 13 3.454 3.170 8.431
114 H ABA 14 H ABA 14 -0.270 1.526 0.499
115 HA ABA 14 HA ABA 14 -0.247 3.596 -1.527
116 HB3 ABA 14 1HB ABA 14 -1.933 2.148 -2.587
117 HB2 ABA 14 2HB ABA 14 -1.944 1.112 -1.166
118 HG1 ABA 14 3HG ABA 14 -0.638 0.123 -2.949
119 HG3 ABA 14 1HG ABA 14 0.389 0.529 -1.575
120 HG2 ABA 14 2HG ABA 14 0.395 1.553 -3.007
121 H VAL 15 H VAL 15 -2.013 4.974 -1.859
122 HA VAL 15 HA VAL 15 -3.473 5.808 0.414
123 HB VAL 15 HB VAL 15 -2.966 7.325 -1.482
124 HG11 VAL 15 1HG1 VAL 15 -3.333 5.868 -3.379
125 HG12 VAL 15 2HG1 VAL 15 -4.323 7.317 -3.533
126 HG13 VAL 15 3HG1 VAL 15 -5.057 5.796 -3.022
127 HG21 VAL 15 3HG2 VAL 15 -5.909 7.096 -0.875
128 HG22 VAL 15 1HG2 VAL 15 -5.138 8.507 -1.601
129 HG23 VAL 15 2HG2 VAL 15 -4.704 8.008 0.032
130 H ABA 16 H ABA 16 -5.599 5.547 0.939
131 HA ABA 16 HA ABA 16 -6.492 2.929 0.611
132 HB3 ABA 16 1HB ABA 16 -8.510 3.662 1.926
133 HB2 ABA 16 2HB ABA 16 -7.820 5.281 1.926
134 HG1 ABA 16 3HG ABA 16 -7.307 4.128 3.989
135 HG3 ABA 16 1HG ABA 16 -5.833 4.430 3.067
136 HG2 ABA 16 2HG ABA 16 -6.547 2.817 3.090
137 H ARG 17 H ARG 17 -6.837 2.543 -1.513
138 HA ARG 17 HA ARG 17 -9.226 3.716 -2.668
139 HB2 ARG 17 2HB ARG 17 -7.199 1.793 -3.842
140 HB3 ARG 17 1HB ARG 17 -8.561 2.479 -4.713
141 HG2 ARG 17 2HG ARG 17 -6.184 3.978 -3.620
142 HG3 ARG 17 1HG ARG 17 -6.492 3.596 -5.312
143 HD2 ARG 17 2HD ARG 17 -8.203 5.355 -3.552
144 HD3 ARG 17 1HD ARG 17 -7.076 5.916 -4.779
145 HE ARG 17 HE ARG 17 -8.619 4.421 -6.284
146 HH11 ARG 17 1HH1 ARG 17 -9.721 6.521 -3.640
147 HH12 ARG 17 2HH1 ARG 17 -11.155 6.978 -4.425
148 HH21 ARG 17 1HH2 ARG 17 -10.583 5.024 -7.322
149 HH22 ARG 17 2HH2 ARG 17 -11.665 6.105 -6.571
150 H ARG 18 H ARG 18 -11.032 2.619 -2.488
151 HA ARG 18 HA ARG 18 -11.294 0.374 -0.842
152 HB2 ARG 18 2HB ARG 18 -13.224 1.383 -2.948
153 HB3 ARG 18 1HB ARG 18 -13.622 0.313 -1.616
154 HG2 ARG 18 2HG ARG 18 -13.133 2.079 -0.014
155 HG3 ARG 18 1HG ARG 18 -12.674 3.158 -1.332
156 HD2 ARG 18 2HD ARG 18 -14.954 2.954 -2.245
157 HD3 ARG 18 1HD ARG 18 -15.397 1.941 -0.877
158 HE ARG 18 HE ARG 18 -14.309 4.475 -0.109
159 HH11 ARG 18 1HH1 ARG 18 -17.301 2.800 -0.985
160 HH12 ARG 18 2HH1 ARG 18 -18.319 3.974 -0.323
161 HH21 ARG 18 1HH2 ARG 18 -15.692 6.070 0.812
162 HH22 ARG 18 2HH2 ARG 18 -17.390 5.894 0.732
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.140 -0.776 -3.347
2 HA2 GLY 1 2HA GLY 1 -8.297 -2.816 -2.170
3 HA3 GLY 1 1HA GLY 1 -7.414 -3.609 -3.465
4 H VAL 2 H VAL 2 -5.545 -1.248 -3.448
5 HA VAL 2 HA VAL 2 -3.817 -2.354 -1.412
6 HB VAL 2 HB VAL 2 -3.216 -0.189 -3.455
7 HG11 VAL 2 1HG1 VAL 2 -1.367 -1.841 -1.734
8 HG12 VAL 2 2HG1 VAL 2 -1.713 -0.128 -1.533
9 HG13 VAL 2 3HG1 VAL 2 -0.855 -0.694 -2.968
10 HG21 VAL 2 3HG2 VAL 2 -3.771 -2.292 -4.568
11 HG22 VAL 2 1HG2 VAL 2 -2.594 -3.143 -3.569
12 HG23 VAL 2 2HG2 VAL 2 -2.049 -1.935 -4.733
13 H ABA 3 H ABA 3 -4.803 -1.665 0.345
14 HA ABA 3 HA ABA 3 -5.099 1.182 0.908
15 HB3 ABA 3 1HB ABA 3 -6.205 0.454 2.956
16 HB2 ABA 3 2HB ABA 3 -5.717 -1.212 2.672
17 HG1 ABA 3 3HG ABA 3 -7.134 -1.309 0.699
18 HG3 ABA 3 1HG ABA 3 -7.637 0.360 0.961
19 HG2 ABA 3 2HG ABA 3 -8.063 -0.886 2.136
20 H ARG 4 H ARG 4 -4.332 1.579 3.425
21 HA ARG 4 HA ARG 4 -1.572 1.594 3.457
22 HB2 ARG 4 2HB ARG 4 -2.815 2.981 4.992
23 HB3 ARG 4 1HB ARG 4 -3.468 1.576 5.829
24 HG2 ARG 4 2HG ARG 4 -1.728 2.576 7.171
25 HG3 ARG 4 1HG ARG 4 -1.165 1.020 6.558
26 HD2 ARG 4 2HD ARG 4 -0.015 2.260 4.709
27 HD3 ARG 4 1HD ARG 4 -0.437 3.760 5.533
28 HE ARG 4 HE ARG 4 0.839 2.056 7.331
29 HH11 ARG 4 1HH1 ARG 4 1.627 4.052 4.483
30 HH12 ARG 4 2HH1 ARG 4 3.281 4.178 4.883
31 HH21 ARG 4 1HH2 ARG 4 3.148 2.265 7.829
32 HH22 ARG 4 2HH2 ARG 4 4.131 3.197 6.809
33 H ABA 5 H ABA 5 -0.085 0.124 3.659
34 HA ABA 5 HA ABA 5 -0.715 -2.443 4.873
35 HB3 ABA 5 1HB ABA 5 -1.266 -2.736 2.575
36 HB2 ABA 5 2HB ABA 5 0.261 -3.562 2.859
37 HG1 ABA 5 3HG ABA 5 0.286 -2.360 0.742
38 HG3 ABA 5 1HG ABA 5 1.466 -1.686 1.865
39 HG2 ABA 5 2HG ABA 5 -0.061 -0.852 1.586
40 H VAL 6 H VAL 6 1.534 -3.776 4.166
41 HA VAL 6 HA VAL 6 3.535 -2.894 5.900
42 HB VAL 6 HB VAL 6 3.740 -4.830 3.559
43 HG11 VAL 6 1HG1 VAL 6 5.971 -4.062 4.260
44 HG12 VAL 6 2HG1 VAL 6 5.715 -5.757 4.653
45 HG13 VAL 6 3HG1 VAL 6 5.603 -4.534 5.921
46 HG21 VAL 6 3HG2 VAL 6 2.083 -5.491 5.210
47 HG22 VAL 6 1HG2 VAL 6 3.286 -5.332 6.488
48 HG23 VAL 6 2HG2 VAL 6 3.479 -6.572 5.249
49 H ABA 7 H ABA 7 5.457 -1.874 5.553
50 HA ABA 7 HA ABA 7 5.562 0.048 3.467
51 HB3 ABA 7 1HB ABA 7 7.715 0.705 4.549
52 HB2 ABA 7 2HB ABA 7 7.551 -0.676 5.620
53 HG1 ABA 7 3HG ABA 7 6.849 1.379 6.716
54 HG3 ABA 7 1HG ABA 7 5.504 0.253 6.544
55 HG2 ABA 7 2HG ABA 7 5.637 1.634 5.462
56 H ARG 8 H ARG 8 5.590 -1.389 1.670
57 HA ARG 8 HA ARG 8 8.156 -2.631 1.209
58 HB2 ARG 8 2HB ARG 8 5.552 -2.859 -0.302
59 HB3 ARG 8 1HB ARG 8 7.056 -3.575 -0.859
60 HG2 ARG 8 2HG ARG 8 7.135 -4.826 1.330
61 HG3 ARG 8 1HG ARG 8 5.494 -4.250 1.619
62 HD2 ARG 8 2HD ARG 8 6.367 -5.876 -0.765
63 HD3 ARG 8 1HD ARG 8 5.576 -6.524 0.664
64 HE ARG 8 HE ARG 8 3.904 -4.566 -0.242
65 HH11 ARG 8 1HH1 ARG 8 5.353 -7.411 -1.760
66 HH12 ARG 8 2HH1 ARG 8 3.969 -7.779 -2.687
67 HH21 ARG 8 1HH2 ARG 8 2.009 -5.102 -1.539
68 HH22 ARG 8 2HH2 ARG 8 2.034 -6.460 -2.555
69 H ARG 9 H ARG 9 9.533 -1.779 -0.054
70 HA ARG 9 HA ARG 9 9.393 0.968 -0.438
71 HB2 ARG 9 2HB ARG 9 11.405 -0.947 -1.578
72 HB3 ARG 9 1HB ARG 9 11.605 0.794 -1.397
73 HG2 ARG 9 2HG ARG 9 11.325 0.529 1.047
74 HG3 ARG 9 1HG ARG 9 11.258 -1.210 0.808
75 HD2 ARG 9 2HD ARG 9 13.477 -0.618 1.468
76 HD3 ARG 9 1HD ARG 9 13.489 -1.117 -0.223
77 HE ARG 9 HE ARG 9 13.175 1.688 0.063
78 HH11 ARG 9 1HH1 ARG 9 15.560 -0.920 0.078
79 HH12 ARG 9 2HH1 ARG 9 16.880 0.084 -0.294
80 HH21 ARG 9 1HH2 ARG 9 15.017 3.087 -0.472
81 HH22 ARG 9 2HH2 ARG 9 16.561 2.402 -0.607
82 H GLY 10 H GLY 10 8.100 1.867 -1.783
83 HA2 GLY 10 2HA GLY 10 8.004 2.762 -4.007
84 HA3 GLY 10 1HA GLY 10 8.382 1.154 -4.607
85 H VAL 11 H VAL 11 6.350 0.335 -2.278
86 HA VAL 11 HA VAL 11 3.967 1.039 -3.747
87 HB VAL 11 HB VAL 11 4.832 -1.022 -4.770
88 HG11 VAL 11 1HG1 VAL 11 4.731 -3.191 -3.620
89 HG12 VAL 11 2HG1 VAL 11 4.438 -2.331 -2.107
90 HG13 VAL 11 3HG1 VAL 11 5.952 -2.090 -2.977
91 HG21 VAL 11 3HG2 VAL 11 2.740 -2.374 -4.709
92 HG22 VAL 11 1HG2 VAL 11 2.456 -0.648 -4.929
93 HG23 VAL 11 2HG2 VAL 11 2.191 -1.391 -3.354
94 H ABA 12 H ABA 12 4.985 1.815 -1.339
95 HA ABA 12 HA ABA 12 3.121 0.633 0.577
96 HB3 ABA 12 1HB ABA 12 5.377 2.617 1.014
97 HB2 ABA 12 2HB ABA 12 5.417 0.902 1.383
98 HG1 ABA 12 3HG ABA 12 3.621 2.925 2.696
99 HG3 ABA 12 1HG ABA 12 5.085 2.227 3.385
100 HG2 ABA 12 2HG ABA 12 3.687 1.201 3.064
101 H ARG 13 H ARG 13 1.213 1.530 0.717
102 HA ARG 13 HA ARG 13 0.960 4.362 0.033
103 HB2 ARG 13 2HB ARG 13 -0.949 2.093 -0.499
104 HB3 ARG 13 1HB ARG 13 -1.416 3.777 -0.613
105 HG2 ARG 13 2HG ARG 13 0.241 4.130 -2.366
106 HG3 ARG 13 1HG ARG 13 0.726 2.433 -2.246
107 HD2 ARG 13 2HD ARG 13 -1.458 1.707 -2.946
108 HD3 ARG 13 1HD ARG 13 -2.064 3.360 -2.901
109 HE ARG 13 HE ARG 13 -0.091 3.603 -4.622
110 HH11 ARG 13 1HH1 ARG 13 -2.601 1.114 -4.465
111 HH12 ARG 13 2HH1 ARG 13 -2.724 0.881 -6.143
112 HH21 ARG 13 1HH2 ARG 13 -0.277 3.345 -6.938
113 HH22 ARG 13 2HH2 ARG 13 -1.335 2.209 -7.616
114 H ABA 14 H ABA 14 -0.658 5.535 1.130
115 HA ABA 14 HA ABA 14 -1.774 4.324 3.559
116 HB3 ABA 14 1HB ABA 14 0.074 5.870 4.199
117 HB2 ABA 14 2HB ABA 14 -1.483 6.483 4.738
118 HG1 ABA 14 3HG ABA 14 -0.156 8.284 3.892
119 HG3 ABA 14 1HG ABA 14 -1.537 8.019 2.834
120 HG2 ABA 14 2HG ABA 14 0.064 7.459 2.354
121 H VAL 15 H VAL 15 -2.672 4.612 0.937
122 HA VAL 15 HA VAL 15 -5.142 6.054 1.372
123 HB VAL 15 HB VAL 15 -3.795 7.633 0.112
124 HG11 VAL 15 1HG1 VAL 15 -2.892 7.144 -2.139
125 HG12 VAL 15 2HG1 VAL 15 -3.321 5.447 -1.912
126 HG13 VAL 15 3HG1 VAL 15 -2.127 6.201 -0.862
127 HG21 VAL 15 3HG2 VAL 15 -5.167 7.926 -1.935
128 HG22 VAL 15 1HG2 VAL 15 -6.134 7.586 -0.500
129 HG23 VAL 15 2HG2 VAL 15 -5.839 6.315 -1.680
130 H ABA 16 H ABA 16 -6.809 5.035 0.528
131 HA ABA 16 HA ABA 16 -6.461 2.257 -0.125
132 HB3 ABA 16 1HB ABA 16 -8.907 2.190 -0.161
133 HB2 ABA 16 2HB ABA 16 -8.977 3.948 -0.076
134 HG1 ABA 16 3HG ABA 16 -7.885 2.131 2.062
135 HG3 ABA 16 1HG ABA 16 -9.446 2.948 2.084
136 HG2 ABA 16 2HG ABA 16 -7.955 3.885 2.135
137 H ARG 17 H ARG 17 -5.559 1.990 -2.093
138 HA ARG 17 HA ARG 17 -7.016 3.146 -4.342
139 HB2 ARG 17 2HB ARG 17 -4.053 2.742 -4.054
140 HB3 ARG 17 1HB ARG 17 -4.835 3.057 -5.593
141 HG2 ARG 17 2HG ARG 17 -4.974 4.874 -3.207
142 HG3 ARG 17 1HG ARG 17 -3.837 5.064 -4.546
143 HD2 ARG 17 2HD ARG 17 -6.852 5.131 -4.736
144 HD3 ARG 17 1HD ARG 17 -5.778 6.518 -4.818
145 HE ARG 17 HE ARG 17 -4.800 5.350 -6.830
146 HH11 ARG 17 1HH1 ARG 17 -8.230 5.007 -5.961
147 HH12 ARG 17 2HH1 ARG 17 -8.767 4.729 -7.534
148 HH21 ARG 17 1HH2 ARG 17 -5.543 4.974 -9.016
149 HH22 ARG 17 2HH2 ARG 17 -7.186 4.712 -9.331
150 H ARG 18 H ARG 18 -8.247 1.505 -4.920
151 HA ARG 18 HA ARG 18 -8.913 -0.385 -5.921
152 HB2 ARG 18 2HB ARG 18 -6.136 -0.218 -7.034
153 HB3 ARG 18 1HB ARG 18 -7.344 -1.351 -7.630
154 HG2 ARG 18 2HG ARG 18 -7.521 1.661 -7.691
155 HG3 ARG 18 1HG ARG 18 -7.174 0.611 -9.066
156 HD2 ARG 18 2HD ARG 18 -9.394 -0.472 -8.709
157 HD3 ARG 18 1HD ARG 18 -9.726 0.733 -7.468
158 HE ARG 18 HE ARG 18 -9.111 2.269 -9.543
159 HH11 ARG 18 1HH1 ARG 18 -11.354 -0.416 -9.184
160 HH12 ARG 18 2HH1 ARG 18 -12.362 0.033 -10.470
161 HH21 ARG 18 1HH2 ARG 18 -10.500 2.958 -11.281
162 HH22 ARG 18 2HH2 ARG 18 -11.853 2.027 -11.717
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -9.890 -1.624 -1.498
2 HA2 GLY 1 2HA GLY 1 -10.594 -4.051 -2.479
3 HA3 GLY 1 1HA GLY 1 -10.137 -3.129 -3.915
4 H VAL 2 H VAL 2 -8.255 -1.480 -2.837
5 HA VAL 2 HA VAL 2 -6.257 -3.201 -1.670
6 HB VAL 2 HB VAL 2 -5.703 -3.173 -4.064
7 HG11 VAL 2 1HG1 VAL 2 -6.809 -1.137 -4.756
8 HG12 VAL 2 2HG1 VAL 2 -5.125 -1.146 -5.288
9 HG13 VAL 2 3HG1 VAL 2 -5.607 -0.172 -3.897
10 HG21 VAL 2 3HG2 VAL 2 -3.829 -3.198 -2.527
11 HG22 VAL 2 1HG2 VAL 2 -3.817 -1.436 -2.477
12 HG23 VAL 2 2HG2 VAL 2 -3.409 -2.277 -3.970
13 H ABA 3 H ABA 3 -6.004 -2.375 0.220
14 HA ABA 3 HA ABA 3 -6.191 0.504 0.629
15 HB3 ABA 3 1HB ABA 3 -5.942 -1.722 2.672
16 HB2 ABA 3 2HB ABA 3 -7.483 -1.146 2.059
17 HG1 ABA 3 3HG ABA 3 -7.005 -0.173 4.231
18 HG3 ABA 3 1HG ABA 3 -7.029 1.073 2.979
19 HG2 ABA 3 2HG ABA 3 -5.492 0.490 3.611
20 H ARG 4 H ARG 4 -4.548 1.407 2.116
21 HA ARG 4 HA ARG 4 -1.987 0.902 1.065
22 HB2 ARG 4 2HB ARG 4 -1.228 2.744 2.604
23 HB3 ARG 4 1HB ARG 4 -2.482 3.171 1.454
24 HG2 ARG 4 2HG ARG 4 -4.150 3.131 3.197
25 HG3 ARG 4 1HG ARG 4 -2.959 2.534 4.358
26 HD2 ARG 4 2HD ARG 4 -2.784 5.182 2.916
27 HD3 ARG 4 1HD ARG 4 -3.377 4.971 4.562
28 HE ARG 4 HE ARG 4 -0.980 3.816 4.697
29 HH11 ARG 4 1HH1 ARG 4 -1.920 7.028 3.482
30 HH12 ARG 4 2HH1 ARG 4 -0.421 7.745 3.788
31 HH21 ARG 4 1HH2 ARG 4 1.090 4.824 5.156
32 HH22 ARG 4 2HH2 ARG 4 1.320 6.465 4.766
33 H ABA 5 H ABA 5 -1.319 -1.021 1.590
34 HA ABA 5 HA ABA 5 -0.550 -1.422 4.384
35 HB3 ABA 5 1HB ABA 5 -0.667 -3.444 2.119
36 HB2 ABA 5 2HB ABA 5 -1.945 -3.243 3.312
37 HG1 ABA 5 3HG ABA 5 0.873 -4.131 3.856
38 HG3 ABA 5 1HG ABA 5 -0.563 -5.152 3.845
39 HG2 ABA 5 2HG ABA 5 -0.380 -3.904 5.078
40 H VAL 6 H VAL 6 1.301 -0.302 4.466
41 HA VAL 6 HA VAL 6 3.002 -0.255 2.166
42 HB VAL 6 HB VAL 6 4.418 1.370 3.403
43 HG11 VAL 6 1HG1 VAL 6 2.727 3.170 3.531
44 HG12 VAL 6 2HG1 VAL 6 1.461 1.949 3.404
45 HG13 VAL 6 3HG1 VAL 6 2.589 2.191 2.071
46 HG21 VAL 6 3HG2 VAL 6 4.049 0.547 5.702
47 HG22 VAL 6 1HG2 VAL 6 2.377 1.106 5.622
48 HG23 VAL 6 2HG2 VAL 6 3.699 2.267 5.554
49 H ABA 7 H ABA 7 3.848 -2.165 1.815
50 HA ABA 7 HA ABA 7 5.791 -3.106 3.774
51 HB3 ABA 7 1HB ABA 7 5.288 -5.373 2.922
52 HB2 ABA 7 2HB ABA 7 3.975 -4.707 1.969
53 HG1 ABA 7 3HG ABA 7 2.881 -3.956 4.030
54 HG3 ABA 7 1HG ABA 7 4.134 -4.755 4.968
55 HG2 ABA 7 2HG ABA 7 3.059 -5.711 3.944
56 H ARG 8 H ARG 8 6.745 -1.289 1.974
57 HA ARG 8 HA ARG 8 8.433 -2.953 0.447
58 HB2 ARG 8 2HB ARG 8 6.507 -1.104 -0.865
59 HB3 ARG 8 1HB ARG 8 8.151 -1.098 -1.487
60 HG2 ARG 8 2HG ARG 8 7.970 -3.558 -1.809
61 HG3 ARG 8 1HG ARG 8 6.289 -3.456 -1.303
62 HD2 ARG 8 2HD ARG 8 5.757 -2.059 -3.194
63 HD3 ARG 8 1HD ARG 8 7.462 -1.967 -3.651
64 HE ARG 8 HE ARG 8 6.620 -4.652 -3.519
65 HH11 ARG 8 1HH1 ARG 8 6.257 -1.801 -5.660
66 HH12 ARG 8 2HH1 ARG 8 6.068 -2.726 -7.058
67 HH21 ARG 8 1HH2 ARG 8 6.337 -5.888 -5.489
68 HH22 ARG 8 2HH2 ARG 8 6.124 -5.095 -6.973
69 H ARG 9 H ARG 9 10.259 -2.440 0.983
70 HA ARG 9 HA ARG 9 10.879 0.021 2.283
71 HB2 ARG 9 2HB ARG 9 12.341 -2.533 1.712
72 HB3 ARG 9 1HB ARG 9 13.268 -1.119 2.165
73 HG2 ARG 9 2HG ARG 9 12.790 -2.609 4.071
74 HG3 ARG 9 1HG ARG 9 12.125 -0.998 4.295
75 HD2 ARG 9 2HD ARG 9 10.545 -2.681 5.062
76 HD3 ARG 9 1HD ARG 9 9.914 -1.839 3.649
77 HE ARG 9 HE ARG 9 11.216 -4.106 2.738
78 HH11 ARG 9 1HH1 ARG 9 8.383 -3.399 4.744
79 HH12 ARG 9 2HH1 ARG 9 7.591 -4.858 4.385
80 HH21 ARG 9 1HH2 ARG 9 10.112 -6.036 2.167
81 HH22 ARG 9 2HH2 ARG 9 8.584 -6.396 2.827
82 H GLY 10 H GLY 10 10.364 1.350 0.607
83 HA2 GLY 10 2HA GLY 10 12.274 2.583 -0.817
84 HA3 GLY 10 1HA GLY 10 11.786 1.276 -1.888
85 H VAL 11 H VAL 11 8.989 1.245 -0.886
86 HA VAL 11 HA VAL 11 8.068 3.845 -1.585
87 HB VAL 11 HB VAL 11 8.376 2.931 -3.826
88 HG11 VAL 11 1HG1 VAL 11 6.553 0.689 -3.010
89 HG12 VAL 11 2HG1 VAL 11 8.267 0.575 -3.417
90 HG13 VAL 11 3HG1 VAL 11 7.093 1.025 -4.654
91 HG21 VAL 11 3HG2 VAL 11 6.509 4.441 -3.525
92 HG22 VAL 11 1HG2 VAL 11 5.468 3.095 -3.061
93 HG23 VAL 11 2HG2 VAL 11 6.086 3.202 -4.708
94 H ABA 12 H ABA 12 6.643 4.300 -0.234
95 HA ABA 12 HA ABA 12 5.150 2.250 1.133
96 HB3 ABA 12 1HB ABA 12 4.347 4.168 2.530
97 HB2 ABA 12 2HB ABA 12 5.311 5.242 1.521
98 HG1 ABA 12 3HG ABA 12 7.337 4.115 2.211
99 HG3 ABA 12 1HG ABA 12 6.391 3.014 3.214
100 HG2 ABA 12 2HG ABA 12 6.436 4.733 3.601
101 H ARG 13 H ARG 13 3.738 1.526 -0.266
102 HA ARG 13 HA ARG 13 2.219 2.948 -2.145
103 HB2 ARG 13 2HB ARG 13 2.743 0.496 -2.133
104 HB3 ARG 13 1HB ARG 13 1.557 0.297 -0.858
105 HG2 ARG 13 2HG ARG 13 -0.207 1.027 -2.375
106 HG3 ARG 13 1HG ARG 13 0.983 1.258 -3.660
107 HD2 ARG 13 2HD ARG 13 1.615 -1.135 -3.420
108 HD3 ARG 13 1HD ARG 13 0.292 -1.327 -2.273
109 HE ARG 13 HE ARG 13 -0.839 -0.282 -4.546
110 HH11 ARG 13 1HH1 ARG 13 0.991 -3.230 -3.756
111 HH12 ARG 13 2HH1 ARG 13 0.307 -4.140 -5.015
112 HH21 ARG 13 1HH2 ARG 13 -1.770 -1.561 -6.237
113 HH22 ARG 13 2HH2 ARG 13 -1.267 -3.190 -6.458
114 H ABA 14 H ABA 14 1.111 4.623 -1.313
115 HA ABA 14 HA ABA 14 -0.629 4.233 0.985
116 HB3 ABA 14 1HB ABA 14 0.863 6.068 1.299
117 HB2 ABA 14 2HB ABA 14 -0.728 6.748 1.025
118 HG1 ABA 14 3HG ABA 14 1.481 6.587 -1.020
119 HG3 ABA 14 1HG ABA 14 0.968 8.030 -0.139
120 HG2 ABA 14 2HG ABA 14 -0.127 7.264 -1.287
121 H VAL 15 H VAL 15 -2.029 2.984 -0.508
122 HA VAL 15 HA VAL 15 -3.720 4.778 -2.068
123 HB VAL 15 HB VAL 15 -4.542 2.709 -3.260
124 HG11 VAL 15 1HG1 VAL 15 -1.593 3.322 -3.405
125 HG12 VAL 15 2HG1 VAL 15 -2.884 4.176 -4.255
126 HG13 VAL 15 3HG1 VAL 15 -2.526 2.497 -4.652
127 HG21 VAL 15 3HG2 VAL 15 -3.113 0.689 -3.143
128 HG22 VAL 15 1HG2 VAL 15 -3.912 1.020 -1.603
129 HG23 VAL 15 2HG2 VAL 15 -2.212 1.426 -1.819
130 H ABA 16 H ABA 16 -5.620 5.294 -1.262
131 HA ABA 16 HA ABA 16 -6.807 3.475 0.665
132 HB3 ABA 16 1HB ABA 16 -6.597 5.663 1.621
133 HB2 ABA 16 2HB ABA 16 -8.300 5.448 1.223
134 HG1 ABA 16 3HG ABA 16 -8.027 6.799 -0.784
135 HG3 ABA 16 1HG ABA 16 -6.332 7.051 -0.377
136 HG2 ABA 16 2HG ABA 16 -7.592 7.690 0.675
137 H ARG 17 H ARG 17 -7.254 2.103 -1.283
138 HA ARG 17 HA ARG 17 -9.645 3.033 -2.656
139 HB2 ARG 17 2HB ARG 17 -7.657 0.954 -3.595
140 HB3 ARG 17 1HB ARG 17 -9.046 1.551 -4.488
141 HG2 ARG 17 2HG ARG 17 -6.602 3.140 -3.732
142 HG3 ARG 17 1HG ARG 17 -6.986 2.515 -5.335
143 HD2 ARG 17 2HD ARG 17 -8.622 4.550 -3.806
144 HD3 ARG 17 1HD ARG 17 -7.462 4.914 -5.076
145 HE ARG 17 HE ARG 17 -9.197 3.168 -6.229
146 HH11 ARG 17 1HH1 ARG 17 -9.598 6.279 -4.556
147 HH12 ARG 17 2HH1 ARG 17 -10.880 6.813 -5.524
148 HH21 ARG 17 1HH2 ARG 17 -11.003 3.925 -7.591
149 HH22 ARG 17 2HH2 ARG 17 -11.659 5.471 -7.298
150 H ARG 18 H ARG 18 -11.295 1.605 -2.817
151 HA ARG 18 HA ARG 18 -11.451 -0.322 -0.682
152 HB2 ARG 18 2HB ARG 18 -13.500 0.639 -2.671
153 HB3 ARG 18 1HB ARG 18 -13.840 -0.530 -1.399
154 HG2 ARG 18 2HG ARG 18 -13.284 1.072 0.300
155 HG3 ARG 18 1HG ARG 18 -12.779 2.239 -0.921
156 HD2 ARG 18 2HD ARG 18 -15.013 2.394 -1.757
157 HD3 ARG 18 1HD ARG 18 -15.566 1.137 -0.644
158 HE ARG 18 HE ARG 18 -14.583 2.864 1.055
159 HH11 ARG 18 1HH1 ARG 18 -16.615 3.516 -1.772
160 HH12 ARG 18 2HH1 ARG 18 -17.310 4.906 -1.097
161 HH21 ARG 18 1HH2 ARG 18 -15.628 4.685 1.992
162 HH22 ARG 18 2HH2 ARG 18 -16.776 5.583 1.109
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -10.090 -2.026 -1.367
2 HA2 GLY 1 2HA GLY 1 -10.814 -3.861 -2.992
3 HA3 GLY 1 1HA GLY 1 -10.668 -2.563 -4.178
4 H VAL 2 H VAL 2 -8.530 -1.216 -3.390
5 HA VAL 2 HA VAL 2 -6.330 -3.095 -3.187
6 HB VAL 2 HB VAL 2 -5.115 -1.802 -5.075
7 HG11 VAL 2 1HG1 VAL 2 -6.099 -3.190 -6.848
8 HG12 VAL 2 2HG1 VAL 2 -7.464 -3.557 -5.791
9 HG13 VAL 2 3HG1 VAL 2 -5.839 -4.103 -5.365
10 HG21 VAL 2 3HG2 VAL 2 -7.965 -1.063 -5.786
11 HG22 VAL 2 1HG2 VAL 2 -6.549 -0.802 -6.807
12 HG23 VAL 2 2HG2 VAL 2 -6.705 0.065 -5.280
13 H ABA 3 H ABA 3 -6.286 -2.146 -1.083
14 HA ABA 3 HA ABA 3 -5.046 0.486 -1.117
15 HB3 ABA 3 1HB ABA 3 -7.023 0.601 0.229
16 HB2 ABA 3 2HB ABA 3 -5.655 0.619 1.330
17 HG1 ABA 3 3HG ABA 3 -7.391 -1.751 0.749
18 HG3 ABA 3 1HG ABA 3 -7.449 -0.743 2.197
19 HG2 ABA 3 2HG ABA 3 -6.020 -1.722 1.859
20 H ARG 4 H ARG 4 -2.979 0.171 -1.357
21 HA ARG 4 HA ARG 4 -1.594 -2.013 -0.141
22 HB2 ARG 4 2HB ARG 4 -0.581 0.423 -1.619
23 HB3 ARG 4 1HB ARG 4 0.520 -0.694 -0.838
24 HG2 ARG 4 2HG ARG 4 0.428 -1.256 -3.155
25 HG3 ARG 4 1HG ARG 4 -0.421 -2.515 -2.278
26 HD2 ARG 4 2HD ARG 4 -2.568 -1.384 -2.866
27 HD3 ARG 4 1HD ARG 4 -1.647 -0.252 -3.860
28 HE ARG 4 HE ARG 4 -1.313 -3.091 -4.389
29 HH11 ARG 4 1HH1 ARG 4 -2.861 -0.065 -5.430
30 HH12 ARG 4 2HH1 ARG 4 -3.209 -0.661 -6.987
31 HH21 ARG 4 1HH2 ARG 4 -1.840 -3.846 -6.537
32 HH22 ARG 4 2HH2 ARG 4 -2.647 -2.798 -7.616
33 H ABA 5 H ABA 5 -1.328 -2.176 1.899
34 HA ABA 5 HA ABA 5 -0.875 0.244 3.488
35 HB3 ABA 5 1HB ABA 5 -2.060 -2.424 4.349
36 HB2 ABA 5 2HB ABA 5 -3.014 -1.030 3.878
37 HG1 ABA 5 3HG ABA 5 -2.952 -1.243 6.280
38 HG3 ABA 5 1HG ABA 5 -2.135 0.233 5.762
39 HG2 ABA 5 2HG ABA 5 -1.191 -1.173 6.252
40 H VAL 6 H VAL 6 1.131 -1.070 2.093
41 HA VAL 6 HA VAL 6 2.678 -2.441 4.180
42 HB VAL 6 HB VAL 6 4.219 -3.184 2.381
43 HG11 VAL 6 1HG1 VAL 6 1.333 -3.903 1.926
44 HG12 VAL 6 2HG1 VAL 6 2.445 -4.672 3.061
45 HG13 VAL 6 3HG1 VAL 6 2.712 -4.820 1.323
46 HG21 VAL 6 3HG2 VAL 6 3.866 -1.383 0.762
47 HG22 VAL 6 1HG2 VAL 6 2.206 -1.927 0.500
48 HG23 VAL 6 2HG2 VAL 6 3.558 -2.949 0.015
49 H ABA 7 H ABA 7 5.044 -1.915 4.178
50 HA ABA 7 HA ABA 7 5.627 0.736 3.235
51 HB3 ABA 7 1HB ABA 7 5.955 0.025 6.158
52 HB2 ABA 7 2HB ABA 7 4.646 1.020 5.531
53 HG1 ABA 7 3HG ABA 7 7.581 1.657 5.411
54 HG3 ABA 7 1HG ABA 7 6.381 2.401 6.465
55 HG2 ABA 7 2HG ABA 7 6.293 2.642 4.719
56 H ARG 8 H ARG 8 6.907 -0.550 1.852
57 HA ARG 8 HA ARG 8 9.218 -1.797 3.070
58 HB2 ARG 8 2HB ARG 8 7.916 -2.013 0.370
59 HB3 ARG 8 1HB ARG 8 9.474 -2.731 0.735
60 HG2 ARG 8 2HG ARG 8 8.438 -4.162 2.403
61 HG3 ARG 8 1HG ARG 8 6.882 -3.373 2.119
62 HD2 ARG 8 2HD ARG 8 7.109 -5.542 0.953
63 HD3 ARG 8 1HD ARG 8 6.829 -4.192 -0.144
64 HE ARG 8 HE ARG 8 9.593 -4.655 0.181
65 HH11 ARG 8 1HH1 ARG 8 6.758 -6.036 -1.434
66 HH12 ARG 8 2HH1 ARG 8 7.638 -6.732 -2.711
67 HH21 ARG 8 1HH2 ARG 8 10.800 -5.592 -1.574
68 HH22 ARG 8 2HH2 ARG 8 10.013 -6.497 -2.777
69 H ARG 9 H ARG 9 11.213 -1.162 2.283
70 HA ARG 9 HA ARG 9 11.289 1.593 1.498
71 HB2 ARG 9 2HB ARG 9 13.557 -0.343 2.003
72 HB3 ARG 9 1HB ARG 9 13.763 1.369 1.669
73 HG2 ARG 9 2HG ARG 9 12.463 1.905 3.693
74 HG3 ARG 9 1HG ARG 9 12.342 0.182 4.042
75 HD2 ARG 9 2HD ARG 9 14.903 1.751 3.808
76 HD3 ARG 9 1HD ARG 9 14.139 1.265 5.318
77 HE ARG 9 HE ARG 9 14.431 -1.067 4.086
78 HH11 ARG 9 1HH1 ARG 9 16.751 1.572 4.588
79 HH12 ARG 9 2HH1 ARG 9 18.120 0.559 4.595
80 HH21 ARG 9 1HH2 ARG 9 16.312 -2.465 4.150
81 HH22 ARG 9 2HH2 ARG 9 17.855 -1.813 4.360
82 H GLY 10 H GLY 10 10.338 1.548 -0.431
83 HA2 GLY 10 2HA GLY 10 11.615 1.853 -2.727
84 HA3 GLY 10 1HA GLY 10 11.524 0.092 -2.658
85 H VAL 11 H VAL 11 9.059 0.012 -1.252
86 HA VAL 11 HA VAL 11 7.165 1.323 -2.959
87 HB VAL 11 HB VAL 11 7.432 -0.774 -4.153
88 HG11 VAL 11 1HG1 VAL 11 6.898 -2.226 -1.574
89 HG12 VAL 11 2HG1 VAL 11 8.438 -2.147 -2.427
90 HG13 VAL 11 3HG1 VAL 11 7.060 -2.974 -3.163
91 HG21 VAL 11 3HG2 VAL 11 5.158 0.023 -4.060
92 HG22 VAL 11 1HG2 VAL 11 4.890 -0.811 -2.528
93 HG23 VAL 11 2HG2 VAL 11 5.157 -1.740 -4.000
94 H ABA 12 H ABA 12 6.091 2.448 -1.552
95 HA ABA 12 HA ABA 12 5.572 1.260 1.053
96 HB3 ABA 12 1HB ABA 12 5.250 3.605 1.857
97 HB2 ABA 12 2HB ABA 12 5.695 4.169 0.250
98 HG1 ABA 12 3HG ABA 12 7.558 4.354 1.761
99 HG3 ABA 12 1HG ABA 12 7.897 3.180 0.490
100 HG2 ABA 12 2HG ABA 12 7.474 2.624 2.106
101 H ARG 13 H ARG 13 3.607 2.906 1.920
102 HA ARG 13 HA ARG 13 1.339 1.560 0.964
103 HB2 ARG 13 2HB ARG 13 0.099 2.872 2.580
104 HB3 ARG 13 1HB ARG 13 1.573 2.235 3.287
105 HG2 ARG 13 2HG ARG 13 2.637 4.413 3.044
106 HG3 ARG 13 1HG ARG 13 1.161 5.064 2.331
107 HD2 ARG 13 2HD ARG 13 1.256 5.669 4.666
108 HD3 ARG 13 1HD ARG 13 -0.047 4.512 4.423
109 HE ARG 13 HE ARG 13 2.595 3.863 5.520
110 HH11 ARG 13 1HH1 ARG 13 -0.921 3.310 5.426
111 HH12 ARG 13 2HH1 ARG 13 -0.937 2.231 6.737
112 HH21 ARG 13 1HH2 ARG 13 2.554 2.352 7.357
113 HH22 ARG 13 2HH2 ARG 13 1.094 1.616 7.804
114 H ABA 14 H ABA 14 -0.644 2.587 0.383
115 HA ABA 14 HA ABA 14 -0.408 4.989 -1.287
116 HB3 ABA 14 1HB ABA 14 -2.029 3.866 -2.868
117 HB2 ABA 14 2HB ABA 14 -1.801 2.377 -1.967
118 HG1 ABA 14 3HG ABA 14 0.560 2.354 -2.568
119 HG3 ABA 14 1HG ABA 14 0.338 3.841 -3.485
120 HG2 ABA 14 2HG ABA 14 -0.481 2.360 -3.991
121 H VAL 15 H VAL 15 -2.661 5.930 -1.617
122 HA VAL 15 HA VAL 15 -3.945 6.082 0.883
123 HB VAL 15 HB VAL 15 -3.979 7.961 -0.691
124 HG11 VAL 15 1HG1 VAL 15 -5.503 8.025 -2.607
125 HG12 VAL 15 2HG1 VAL 15 -5.872 6.319 -2.358
126 HG13 VAL 15 3HG1 VAL 15 -4.235 6.816 -2.792
127 HG21 VAL 15 3HG2 VAL 15 -6.727 6.984 0.066
128 HG22 VAL 15 1HG2 VAL 15 -6.351 8.633 -0.441
129 HG23 VAL 15 2HG2 VAL 15 -5.642 7.984 1.035
130 H ABA 16 H ABA 16 -5.676 5.204 1.670
131 HA ABA 16 HA ABA 16 -6.315 2.600 0.915
132 HB3 ABA 16 1HB ABA 16 -7.778 4.434 2.813
133 HB2 ABA 16 2HB ABA 16 -6.424 3.399 3.234
134 HG1 ABA 16 3HG ABA 16 -8.520 2.417 3.960
135 HG3 ABA 16 1HG ABA 16 -7.777 1.425 2.708
136 HG2 ABA 16 2HG ABA 16 -9.136 2.470 2.308
137 H ARG 17 H ARG 17 -7.372 2.115 -0.871
138 HA ARG 17 HA ARG 17 -9.913 3.439 -1.390
139 HB2 ARG 17 2HB ARG 17 -8.069 2.113 -3.409
140 HB3 ARG 17 1HB ARG 17 -9.582 2.919 -3.775
141 HG2 ARG 17 2HG ARG 17 -7.030 4.209 -2.814
142 HG3 ARG 17 1HG ARG 17 -7.736 4.326 -4.422
143 HD2 ARG 17 2HD ARG 17 -8.907 5.398 -1.850
144 HD3 ARG 17 1HD ARG 17 -8.158 6.345 -3.129
145 HE ARG 17 HE ARG 17 -10.184 4.945 -4.319
146 HH11 ARG 17 1HH1 ARG 17 -9.960 7.392 -1.753
147 HH12 ARG 17 2HH1 ARG 17 -11.498 8.018 -2.062
148 HH21 ARG 17 1HH2 ARG 17 -12.301 5.813 -4.689
149 HH22 ARG 17 2HH2 ARG 17 -12.868 7.116 -3.762
150 H ARG 18 H ARG 18 -11.611 1.986 -1.610
151 HA ARG 18 HA ARG 18 -11.146 -0.537 -0.350
152 HB2 ARG 18 2HB ARG 18 -13.697 0.510 -1.613
153 HB3 ARG 18 1HB ARG 18 -13.576 -1.005 -0.747
154 HG2 ARG 18 2HG ARG 18 -14.534 0.502 0.776
155 HG3 ARG 18 1HG ARG 18 -12.845 0.390 1.271
156 HD2 ARG 18 2HD ARG 18 -13.611 2.698 1.319
157 HD3 ARG 18 1HD ARG 18 -12.386 2.489 0.064
158 HE ARG 18 HE ARG 18 -14.980 2.109 -0.975
159 HH11 ARG 18 1HH1 ARG 18 -12.786 4.714 0.020
160 HH12 ARG 18 2HH1 ARG 18 -13.527 5.874 -0.991
161 HH21 ARG 18 1HH2 ARG 18 -15.972 3.716 -2.324
162 HH22 ARG 18 2HH2 ARG 18 -15.336 5.310 -2.348
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -9.907 -2.124 -1.980
2 HA2 GLY 1 2HA GLY 1 -10.921 -3.774 -3.696
3 HA3 GLY 1 1HA GLY 1 -10.604 -2.415 -4.785
4 H VAL 2 H VAL 2 -8.364 -1.381 -3.525
5 HA VAL 2 HA VAL 2 -6.326 -3.412 -3.359
6 HB VAL 2 HB VAL 2 -4.797 -1.985 -4.884
7 HG11 VAL 2 1HG1 VAL 2 -7.098 -3.462 -6.154
8 HG12 VAL 2 2HG1 VAL 2 -5.589 -4.170 -5.588
9 HG13 VAL 2 3HG1 VAL 2 -5.582 -3.051 -6.954
10 HG21 VAL 2 3HG2 VAL 2 -6.184 0.010 -5.070
11 HG22 VAL 2 1HG2 VAL 2 -7.471 -0.935 -5.822
12 HG23 VAL 2 2HG2 VAL 2 -5.948 -0.705 -6.669
13 H ABA 3 H ABA 3 -6.449 -2.772 -1.173
14 HA ABA 3 HA ABA 3 -5.764 -0.035 -0.527
15 HB3 ABA 3 1HB ABA 3 -6.241 -0.701 1.797
16 HB2 ABA 3 2HB ABA 3 -6.477 -2.361 1.275
17 HG1 ABA 3 3HG ABA 3 -8.153 -0.007 0.430
18 HG3 ABA 3 1HG ABA 3 -8.608 -1.225 1.621
19 HG2 ABA 3 2HG ABA 3 -8.394 -1.672 -0.074
20 H ARG 4 H ARG 4 -3.665 0.411 -0.621
21 HA ARG 4 HA ARG 4 -1.892 -1.569 0.540
22 HB2 ARG 4 2HB ARG 4 -1.284 0.293 -1.743
23 HB3 ARG 4 1HB ARG 4 -0.086 -0.672 -0.905
24 HG2 ARG 4 2HG ARG 4 -1.448 -2.711 -1.567
25 HG3 ARG 4 1HG ARG 4 -2.373 -1.636 -2.614
26 HD2 ARG 4 2HD ARG 4 -0.257 -0.987 -3.727
27 HD3 ARG 4 1HD ARG 4 0.595 -2.176 -2.742
28 HE ARG 4 HE ARG 4 -1.560 -2.841 -4.622
29 HH11 ARG 4 1HH1 ARG 4 1.662 -3.655 -3.229
30 HH12 ARG 4 2HH1 ARG 4 1.885 -4.985 -4.230
31 HH21 ARG 4 1HH2 ARG 4 -1.169 -4.685 -5.997
32 HH22 ARG 4 2HH2 ARG 4 0.255 -5.598 -5.847
33 H ABA 5 H ABA 5 -1.689 -0.898 2.477
34 HA ABA 5 HA ABA 5 -0.308 1.651 2.865
35 HB3 ABA 5 1HB ABA 5 -1.160 1.604 5.223
36 HB2 ABA 5 2HB ABA 5 -2.120 0.183 4.832
37 HG1 ABA 5 3HG ABA 5 -3.501 2.160 4.851
38 HG3 ABA 5 1HG ABA 5 -3.402 1.499 3.222
39 HG2 ABA 5 2HG ABA 5 -2.461 2.927 3.651
40 H VAL 6 H VAL 6 1.580 0.649 2.385
41 HA VAL 6 HA VAL 6 2.560 -1.285 4.335
42 HB VAL 6 HB VAL 6 3.787 -2.446 2.509
43 HG11 VAL 6 1HG1 VAL 6 1.881 -3.728 1.612
44 HG12 VAL 6 2HG1 VAL 6 0.788 -2.484 2.222
45 HG13 VAL 6 3HG1 VAL 6 1.756 -3.442 3.345
46 HG21 VAL 6 3HG2 VAL 6 3.060 -2.177 0.168
47 HG22 VAL 6 1HG2 VAL 6 3.779 -0.700 0.810
48 HG23 VAL 6 2HG2 VAL 6 2.027 -0.834 0.656
49 H ABA 7 H ABA 7 4.752 -1.106 4.739
50 HA ABA 7 HA ABA 7 6.060 1.189 3.530
51 HB3 ABA 7 1HB ABA 7 5.687 1.763 5.820
52 HB2 ABA 7 2HB ABA 7 7.374 1.266 5.694
53 HG1 ABA 7 3HG ABA 7 5.152 -0.437 6.772
54 HG3 ABA 7 1HG ABA 7 6.382 0.404 7.716
55 HG2 ABA 7 2HG ABA 7 6.846 -0.903 6.626
56 H ARG 8 H ARG 8 6.514 -0.527 1.917
57 HA ARG 8 HA ARG 8 8.618 -2.333 2.743
58 HB2 ARG 8 2HB ARG 8 7.017 -2.187 0.184
59 HB3 ARG 8 1HB ARG 8 8.271 -3.363 0.518
60 HG2 ARG 8 2HG ARG 8 5.663 -3.115 2.010
61 HG3 ARG 8 1HG ARG 8 5.999 -4.291 0.746
62 HD2 ARG 8 2HD ARG 8 6.310 -5.497 2.728
63 HD3 ARG 8 1HD ARG 8 7.949 -5.028 2.279
64 HE ARG 8 HE ARG 8 6.631 -3.188 4.036
65 HH11 ARG 8 1HH1 ARG 8 8.587 -6.142 3.990
66 HH12 ARG 8 2HH1 ARG 8 9.230 -5.903 5.551
67 HH21 ARG 8 1HH2 ARG 8 7.424 -2.921 6.193
68 HH22 ARG 8 2HH2 ARG 8 8.503 -4.048 6.851
69 H ARG 9 H ARG 9 10.598 -2.081 1.861
70 HA ARG 9 HA ARG 9 11.422 0.403 0.800
71 HB2 ARG 9 2HB ARG 9 12.787 -2.288 0.827
72 HB3 ARG 9 1HB ARG 9 13.535 -0.853 0.150
73 HG2 ARG 9 2HG ARG 9 13.523 0.234 2.288
74 HG3 ARG 9 1HG ARG 9 12.598 -1.088 3.000
75 HD2 ARG 9 2HD ARG 9 15.332 -1.404 1.767
76 HD3 ARG 9 1HD ARG 9 15.050 -1.168 3.490
77 HE ARG 9 HE ARG 9 13.575 -3.225 3.221
78 HH11 ARG 9 1HH1 ARG 9 16.651 -2.771 1.477
79 HH12 ARG 9 2HH1 ARG 9 16.981 -4.428 1.398
80 HH21 ARG 9 1HH2 ARG 9 14.035 -5.486 3.051
81 HH22 ARG 9 2HH2 ARG 9 15.467 -6.010 2.287
82 H GLY 10 H GLY 10 10.540 1.095 -0.997
83 HA2 GLY 10 2HA GLY 10 11.033 0.975 -3.445
84 HA3 GLY 10 1HA GLY 10 10.462 -0.691 -3.325
85 H VAL 11 H VAL 11 8.432 -0.029 -1.359
86 HA VAL 11 HA VAL 11 6.648 1.684 -2.782
87 HB VAL 11 HB VAL 11 6.287 -0.414 -3.971
88 HG11 VAL 11 1HG1 VAL 11 5.614 -1.669 -1.327
89 HG12 VAL 11 2HG1 VAL 11 7.026 -2.016 -2.327
90 HG13 VAL 11 3HG1 VAL 11 5.407 -2.421 -2.909
91 HG21 VAL 11 3HG2 VAL 11 3.868 -0.715 -3.628
92 HG22 VAL 11 1HG2 VAL 11 4.348 0.981 -3.689
93 HG23 VAL 11 2HG2 VAL 11 3.982 0.223 -2.140
94 H ABA 12 H ABA 12 6.323 2.995 -1.171
95 HA ABA 12 HA ABA 12 5.434 1.895 1.390
96 HB3 ABA 12 1HB ABA 12 6.160 4.047 2.385
97 HB2 ABA 12 2HB ABA 12 6.768 4.558 0.818
98 HG1 ABA 12 3HG ABA 12 8.577 3.783 2.237
99 HG3 ABA 12 1HG ABA 12 8.379 2.721 0.843
100 HG2 ABA 12 2HG ABA 12 7.778 2.218 2.421
101 H ARG 13 H ARG 13 3.620 1.912 -0.460
102 HA ARG 13 HA ARG 13 2.192 4.339 -0.755
103 HB2 ARG 13 2HB ARG 13 1.281 1.486 -1.150
104 HB3 ARG 13 1HB ARG 13 0.250 2.868 -1.464
105 HG2 ARG 13 2HG ARG 13 1.847 3.660 -3.147
106 HG3 ARG 13 1HG ARG 13 2.848 2.237 -2.850
107 HD2 ARG 13 2HD ARG 13 1.471 1.907 -4.821
108 HD3 ARG 13 1HD ARG 13 0.958 0.811 -3.545
109 HE ARG 13 HE ARG 13 -0.561 3.143 -3.376
110 HH11 ARG 13 1HH1 ARG 13 -0.170 0.513 -5.718
111 HH12 ARG 13 2HH1 ARG 13 -1.791 0.504 -6.224
112 HH21 ARG 13 1HH2 ARG 13 -2.812 3.175 -4.127
113 HH22 ARG 13 2HH2 ARG 13 -3.312 2.083 -5.329
114 H ABA 14 H ABA 14 0.342 5.033 0.231
115 HA ABA 14 HA ABA 14 -0.572 3.647 2.614
116 HB3 ABA 14 1HB ABA 14 0.298 6.553 2.712
117 HB2 ABA 14 2HB ABA 14 1.265 5.224 3.339
118 HG1 ABA 14 3HG ABA 14 -1.474 6.007 4.319
119 HG3 ABA 14 1HG ABA 14 0.055 6.379 5.112
120 HG2 ABA 14 2HG ABA 14 -0.473 4.706 4.963
121 H VAL 15 H VAL 15 -2.128 3.423 0.775
122 HA VAL 15 HA VAL 15 -4.194 5.364 1.159
123 HB VAL 15 HB VAL 15 -3.074 6.369 -0.693
124 HG11 VAL 15 1HG1 VAL 15 -1.868 4.459 -1.596
125 HG12 VAL 15 2HG1 VAL 15 -2.776 5.250 -2.877
126 HG13 VAL 15 3HG1 VAL 15 -3.377 3.748 -2.169
127 HG21 VAL 15 3HG2 VAL 15 -5.487 6.536 -0.727
128 HG22 VAL 15 1HG2 VAL 15 -5.611 5.012 -1.603
129 HG23 VAL 15 2HG2 VAL 15 -4.892 6.425 -2.380
130 H ABA 16 H ABA 16 -6.065 4.496 1.212
131 HA ABA 16 HA ABA 16 -6.254 1.670 0.581
132 HB3 ABA 16 1HB ABA 16 -8.161 1.668 2.166
133 HB2 ABA 16 2HB ABA 16 -7.814 3.349 2.530
134 HG1 ABA 16 3HG ABA 16 -6.910 1.857 4.225
135 HG3 ABA 16 1HG ABA 16 -5.633 2.741 3.392
136 HG2 ABA 16 2HG ABA 16 -5.931 1.054 3.000
137 H ARG 17 H ARG 17 -6.707 2.152 -1.653
138 HA ARG 17 HA ARG 17 -9.327 3.270 -2.165
139 HB2 ARG 17 2HB ARG 17 -7.448 1.741 -4.006
140 HB3 ARG 17 1HB ARG 17 -8.922 2.547 -4.499
141 HG2 ARG 17 2HG ARG 17 -7.904 4.710 -3.890
142 HG3 ARG 17 1HG ARG 17 -6.405 3.857 -3.496
143 HD2 ARG 17 2HD ARG 17 -6.351 2.966 -5.792
144 HD3 ARG 17 1HD ARG 17 -7.796 3.891 -6.172
145 HE ARG 17 HE ARG 17 -5.768 5.600 -5.183
146 HH11 ARG 17 1HH1 ARG 17 -6.755 3.819 -8.097
147 HH12 ARG 17 2HH1 ARG 17 -5.769 4.733 -9.146
148 HH21 ARG 17 1HH2 ARG 17 -4.450 6.866 -6.675
149 HH22 ARG 17 2HH2 ARG 17 -4.507 6.515 -8.347
150 H ARG 18 H ARG 18 -11.020 1.977 -1.653
151 HA ARG 18 HA ARG 18 -10.557 -0.658 -0.847
152 HB2 ARG 18 2HB ARG 18 -13.152 0.759 -1.358
153 HB3 ARG 18 1HB ARG 18 -13.079 -0.891 -0.743
154 HG2 ARG 18 2HG ARG 18 -11.641 0.040 1.139
155 HG3 ARG 18 1HG ARG 18 -12.111 1.636 0.570
156 HD2 ARG 18 2HD ARG 18 -13.992 -0.535 1.492
157 HD3 ARG 18 1HD ARG 18 -13.518 0.871 2.431
158 HE ARG 18 HE ARG 18 -14.564 1.912 0.147
159 HH11 ARG 18 1HH1 ARG 18 -15.809 -0.295 2.630
160 HH12 ARG 18 2HH1 ARG 18 -17.426 0.190 2.405
161 HH21 ARG 18 1HH2 ARG 18 -16.755 2.542 -0.122
162 HH22 ARG 18 2HH2 ARG 18 -17.990 1.793 0.805
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -9.470 0.237 -2.850
2 HA2 GLY 1 2HA GLY 1 -9.483 -0.527 -5.658
3 HA3 GLY 1 1HA GLY 1 -8.529 0.883 -5.175
4 H VAL 2 H VAL 2 -7.155 0.461 -3.192
5 HA VAL 2 HA VAL 2 -6.337 -2.197 -2.864
6 HB VAL 2 HB VAL 2 -5.046 -1.832 -4.850
7 HG11 VAL 2 1HG1 VAL 2 -3.314 -0.110 -5.093
8 HG12 VAL 2 2HG1 VAL 2 -3.829 0.600 -3.565
9 HG13 VAL 2 3HG1 VAL 2 -4.931 0.574 -4.942
10 HG21 VAL 2 3HG2 VAL 2 -3.958 -3.150 -3.139
11 HG22 VAL 2 1HG2 VAL 2 -3.234 -1.698 -2.453
12 HG23 VAL 2 2HG2 VAL 2 -2.751 -2.244 -4.058
13 H ABA 3 H ABA 3 -7.085 -1.748 -0.894
14 HA ABA 3 HA ABA 3 -5.901 0.328 0.678
15 HB3 ABA 3 1HB ABA 3 -7.208 -0.694 2.572
16 HB2 ABA 3 2HB ABA 3 -7.732 -1.960 1.466
17 HG1 ABA 3 3HG ABA 3 -8.303 0.973 1.161
18 HG3 ABA 3 1HG ABA 3 -9.429 -0.258 1.739
19 HG2 ABA 3 2HG ABA 3 -8.836 -0.315 0.079
20 H ARG 4 H ARG 4 -3.651 -0.371 0.533
21 HA ARG 4 HA ARG 4 -2.992 -2.892 1.898
22 HB2 ARG 4 2HB ARG 4 -2.774 -2.833 -0.621
23 HB3 ARG 4 1HB ARG 4 -1.535 -1.613 -0.397
24 HG2 ARG 4 2HG ARG 4 -0.173 -3.210 0.819
25 HG3 ARG 4 1HG ARG 4 -1.420 -4.447 0.620
26 HD2 ARG 4 2HD ARG 4 -1.232 -4.115 -1.854
27 HD3 ARG 4 1HD ARG 4 0.146 -3.067 -1.550
28 HE ARG 4 HE ARG 4 0.528 -5.586 -0.316
29 HH11 ARG 4 1HH1 ARG 4 0.628 -3.992 -3.465
30 HH12 ARG 4 2HH1 ARG 4 1.667 -5.147 -4.167
31 HH21 ARG 4 1HH2 ARG 4 1.895 -7.180 -1.299
32 HH22 ARG 4 2HH2 ARG 4 2.372 -6.997 -2.936
33 H ABA 5 H ABA 5 -1.547 -2.604 3.550
34 HA ABA 5 HA ABA 5 -0.306 0.027 3.687
35 HB3 ABA 5 1HB ABA 5 -1.900 -0.062 5.457
36 HB2 ABA 5 2HB ABA 5 -0.326 -0.253 6.208
37 HG1 ABA 5 3HG ABA 5 -0.688 -2.659 6.401
38 HG3 ABA 5 1HG ABA 5 -2.276 -2.481 5.656
39 HG2 ABA 5 2HG ABA 5 -1.952 -1.738 7.219
40 H VAL 6 H VAL 6 1.410 -0.747 2.471
41 HA VAL 6 HA VAL 6 3.353 -2.333 4.025
42 HB VAL 6 HB VAL 6 3.244 -1.993 1.004
43 HG11 VAL 6 1HG1 VAL 6 5.536 -2.228 1.798
44 HG12 VAL 6 2HG1 VAL 6 5.041 -3.681 0.935
45 HG13 VAL 6 3HG1 VAL 6 5.090 -3.677 2.699
46 HG21 VAL 6 3HG2 VAL 6 2.720 -4.467 2.632
47 HG22 VAL 6 1HG2 VAL 6 2.650 -4.344 0.878
48 HG23 VAL 6 2HG2 VAL 6 1.472 -3.478 1.884
49 H ABA 7 H ABA 7 5.292 -1.381 4.374
50 HA ABA 7 HA ABA 7 5.759 1.213 3.131
51 HB3 ABA 7 1HB ABA 7 5.932 0.699 6.106
52 HB2 ABA 7 2HB ABA 7 4.644 1.594 5.312
53 HG1 ABA 7 3HG ABA 7 6.226 3.103 6.335
54 HG3 ABA 7 1HG ABA 7 6.266 3.274 4.582
55 HG2 ABA 7 2HG ABA 7 7.541 2.384 5.408
56 H ARG 8 H ARG 8 7.320 0.088 1.903
57 HA ARG 8 HA ARG 8 9.832 -0.145 3.338
58 HB2 ARG 8 2HB ARG 8 8.845 -1.977 1.133
59 HB3 ARG 8 1HB ARG 8 10.529 -1.868 1.601
60 HG2 ARG 8 2HG ARG 8 9.836 -2.570 3.906
61 HG3 ARG 8 1HG ARG 8 8.224 -2.866 3.259
62 HD2 ARG 8 2HD ARG 8 10.750 -4.149 2.218
63 HD3 ARG 8 1HD ARG 8 9.673 -4.894 3.385
64 HE ARG 8 HE ARG 8 7.945 -4.735 1.631
65 HH11 ARG 8 1HH1 ARG 8 11.373 -4.819 0.651
66 HH12 ARG 8 2HH1 ARG 8 11.092 -5.643 -0.798
67 HH21 ARG 8 1HH2 ARG 8 7.575 -5.895 -0.412
68 HH22 ARG 8 2HH2 ARG 8 8.899 -6.246 -1.427
69 H ARG 9 H ARG 9 11.579 0.699 2.176
70 HA ARG 9 HA ARG 9 10.828 2.684 0.283
71 HB2 ARG 9 2HB ARG 9 13.543 1.821 1.265
72 HB3 ARG 9 1HB ARG 9 13.289 3.158 0.148
73 HG2 ARG 9 2HG ARG 9 12.235 2.966 2.963
74 HG3 ARG 9 1HG ARG 9 13.575 3.975 2.418
75 HD2 ARG 9 2HD ARG 9 12.016 5.169 0.911
76 HD3 ARG 9 1HD ARG 9 10.696 4.188 1.535
77 HE ARG 9 HE ARG 9 12.088 5.485 3.617
78 HH11 ARG 9 1HH1 ARG 9 9.639 6.037 1.105
79 HH12 ARG 9 2HH1 ARG 9 8.955 7.377 1.873
80 HH21 ARG 9 1HH2 ARG 9 11.137 7.306 4.680
81 HH22 ARG 9 2HH2 ARG 9 9.827 8.134 3.964
82 H GLY 10 H GLY 10 10.096 2.013 -1.474
83 HA2 GLY 10 2HA GLY 10 11.101 1.384 -3.761
84 HA3 GLY 10 1HA GLY 10 11.333 -0.177 -2.961
85 H VAL 11 H VAL 11 8.998 0.139 -1.301
86 HA VAL 11 HA VAL 11 6.734 0.191 -3.062
87 HB VAL 11 HB VAL 11 5.897 -2.048 -2.071
88 HG11 VAL 11 1HG1 VAL 11 6.969 -3.389 -3.811
89 HG12 VAL 11 2HG1 VAL 11 8.176 -2.117 -4.028
90 HG13 VAL 11 3HG1 VAL 11 6.489 -1.808 -4.427
91 HG21 VAL 11 3HG2 VAL 11 7.577 -2.372 -0.380
92 HG22 VAL 11 1HG2 VAL 11 8.855 -2.408 -1.598
93 HG23 VAL 11 2HG2 VAL 11 7.653 -3.697 -1.539
94 H ABA 12 H ABA 12 6.427 2.050 -1.722
95 HA ABA 12 HA ABA 12 5.318 1.342 0.896
96 HB3 ABA 12 1HB ABA 12 6.005 4.085 -0.193
97 HB2 ABA 12 2HB ABA 12 7.051 3.176 0.891
98 HG1 ABA 12 3HG ABA 12 5.809 4.887 2.087
99 HG3 ABA 12 1HG ABA 12 5.315 3.281 2.620
100 HG2 ABA 12 2HG ABA 12 4.287 4.195 1.523
101 H ARG 13 H ARG 13 3.191 1.206 0.932
102 HA ARG 13 HA ARG 13 1.829 2.484 -1.281
103 HB2 ARG 13 2HB ARG 13 2.022 0.005 -1.520
104 HB3 ARG 13 1HB ARG 13 1.056 -0.168 -0.068
105 HG2 ARG 13 2HG ARG 13 -0.448 -0.541 -1.816
106 HG3 ARG 13 1HG ARG 13 -0.770 1.115 -1.318
107 HD2 ARG 13 2HD ARG 13 0.958 0.328 -3.687
108 HD3 ARG 13 1HD ARG 13 -0.748 0.719 -3.799
109 HE ARG 13 HE ARG 13 1.042 2.811 -2.751
110 HH11 ARG 13 1HH1 ARG 13 -0.804 1.593 -5.521
111 HH12 ARG 13 2HH1 ARG 13 -0.749 3.088 -6.331
112 HH21 ARG 13 1HH2 ARG 13 1.136 4.798 -3.895
113 HH22 ARG 13 2HH2 ARG 13 0.346 4.932 -5.390
114 H ABA 14 H ABA 14 -0.209 3.321 -0.868
115 HA ABA 14 HA ABA 14 -0.853 3.745 1.947
116 HB3 ABA 14 1HB ABA 14 -0.413 5.805 0.675
117 HB2 ABA 14 2HB ABA 14 -2.115 5.716 1.112
118 HG1 ABA 14 3HG ABA 14 -2.678 4.996 -1.144
119 HG3 ABA 14 1HG ABA 14 -0.979 5.075 -1.603
120 HG2 ABA 14 2HG ABA 14 -1.838 6.545 -1.149
121 H VAL 15 H VAL 15 -3.166 3.738 2.422
122 HA VAL 15 HA VAL 15 -4.325 1.477 1.151
123 HB VAL 15 HB VAL 15 -6.202 1.675 2.811
124 HG11 VAL 15 1HG1 VAL 15 -4.843 1.087 4.779
125 HG12 VAL 15 2HG1 VAL 15 -3.413 1.696 3.946
126 HG13 VAL 15 3HG1 VAL 15 -4.279 0.301 3.306
127 HG21 VAL 15 3HG2 VAL 15 -5.983 3.241 4.697
128 HG22 VAL 15 1HG2 VAL 15 -6.164 4.111 3.173
129 HG23 VAL 15 2HG2 VAL 15 -4.579 3.976 3.931
130 H ABA 16 H ABA 16 -4.918 1.879 -0.847
131 HA ABA 16 HA ABA 16 -6.482 4.186 -1.500
132 HB3 ABA 16 1HB ABA 16 -6.490 3.245 -3.801
133 HB2 ABA 16 2HB ABA 16 -5.626 1.838 -3.196
134 HG1 ABA 16 3HG ABA 16 -4.617 4.670 -3.146
135 HG3 ABA 16 1HG ABA 16 -4.114 3.410 -4.275
136 HG2 ABA 16 2HG ABA 16 -3.749 3.252 -2.555
137 H ARG 17 H ARG 17 -7.983 3.740 -0.201
138 HA ARG 17 HA ARG 17 -10.085 2.225 0.326
139 HB2 ARG 17 2HB ARG 17 -10.493 4.955 -0.887
140 HB3 ARG 17 1HB ARG 17 -11.677 4.085 0.062
141 HG2 ARG 17 2HG ARG 17 -8.993 4.970 1.098
142 HG3 ARG 17 1HG ARG 17 -10.489 5.872 1.301
143 HD2 ARG 17 2HD ARG 17 -9.953 3.087 2.323
144 HD3 ARG 17 1HD ARG 17 -9.948 4.564 3.283
145 HE ARG 17 HE ARG 17 -12.377 3.778 1.832
146 HH11 ARG 17 1HH1 ARG 17 -10.788 4.458 4.915
147 HH12 ARG 17 2HH1 ARG 17 -12.211 4.329 5.837
148 HH21 ARG 17 1HH2 ARG 17 -14.302 3.579 3.068
149 HH22 ARG 17 2HH2 ARG 17 -14.271 3.789 4.761
150 H ARG 18 H ARG 18 -11.060 0.709 -0.734
151 HA ARG 18 HA ARG 18 -12.029 -0.562 -2.259
152 HB2 ARG 18 2HB ARG 18 -13.179 2.073 -3.076
153 HB3 ARG 18 1HB ARG 18 -13.666 0.563 -3.836
154 HG2 ARG 18 2HG ARG 18 -14.287 -0.251 -1.542
155 HG3 ARG 18 1HG ARG 18 -14.010 1.394 -0.969
156 HD2 ARG 18 2HD ARG 18 -16.380 0.966 -1.462
157 HD3 ARG 18 1HD ARG 18 -15.711 2.237 -2.487
158 HE ARG 18 HE ARG 18 -15.412 0.319 -4.160
159 HH11 ARG 18 1HH1 ARG 18 -18.148 0.561 -1.934
160 HH12 ARG 18 2HH1 ARG 18 -19.214 -0.308 -2.928
161 HH21 ARG 18 1HH2 ARG 18 -16.843 -0.867 -5.521
162 HH22 ARG 18 2HH2 ARG 18 -18.458 -1.146 -5.045
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -10.926 1.779 -0.350
2 HA2 GLY 1 2HA GLY 1 -11.394 1.719 2.058
3 HA3 GLY 1 1HA GLY 1 -11.468 -0.028 1.904
4 H VAL 2 H VAL 2 -9.455 -1.034 1.029
5 HA VAL 2 HA VAL 2 -7.095 0.395 1.893
6 HB VAL 2 HB VAL 2 -6.204 -1.631 3.081
7 HG11 VAL 2 1HG1 VAL 2 -6.972 0.265 4.354
8 HG12 VAL 2 2HG1 VAL 2 -7.413 -1.223 5.190
9 HG13 VAL 2 3HG1 VAL 2 -8.633 -0.322 4.289
10 HG21 VAL 2 3HG2 VAL 2 -9.080 -2.527 3.045
11 HG22 VAL 2 1HG2 VAL 2 -7.789 -3.272 3.982
12 HG23 VAL 2 2HG2 VAL 2 -7.742 -3.320 2.218
13 H ABA 3 H ABA 3 -5.951 0.502 0.180
14 HA ABA 3 HA ABA 3 -5.019 -2.010 -0.878
15 HB3 ABA 3 1HB ABA 3 -5.631 0.407 -2.608
16 HB2 ABA 3 2HB ABA 3 -6.566 -1.085 -2.575
17 HG1 ABA 3 3HG ABA 3 -3.698 -0.845 -3.459
18 HG3 ABA 3 1HG ABA 3 -5.100 -0.993 -4.519
19 HG2 ABA 3 2HG ABA 3 -4.666 -2.322 -3.449
20 H ARG 4 H ARG 4 -3.079 -2.051 -0.082
21 HA ARG 4 HA ARG 4 -1.363 0.241 -0.301
22 HB2 ARG 4 2HB ARG 4 -0.753 -0.233 2.153
23 HB3 ARG 4 1HB ARG 4 -2.246 0.642 1.779
24 HG2 ARG 4 2HG ARG 4 -3.531 -1.410 2.087
25 HG3 ARG 4 1HG ARG 4 -2.051 -2.273 2.503
26 HD2 ARG 4 2HD ARG 4 -2.959 0.164 3.996
27 HD3 ARG 4 1HD ARG 4 -3.540 -1.441 4.425
28 HE ARG 4 HE ARG 4 -0.895 -1.760 4.387
29 HH11 ARG 4 1HH1 ARG 4 -2.891 0.717 5.963
30 HH12 ARG 4 2HH1 ARG 4 -1.942 0.769 7.385
31 HH21 ARG 4 1HH2 ARG 4 0.398 -1.670 6.356
32 HH22 ARG 4 2HH2 ARG 4 -0.047 -0.603 7.604
33 H ABA 5 H ABA 5 0.580 -0.323 -0.770
34 HA ABA 5 HA ABA 5 1.248 -3.032 -1.355
35 HB3 ABA 5 1HB ABA 5 3.481 -2.112 -1.939
36 HB2 ABA 5 2HB ABA 5 2.983 -0.549 -1.300
37 HG1 ABA 5 3HG ABA 5 1.233 -0.407 -2.990
38 HG3 ABA 5 1HG ABA 5 1.740 -1.960 -3.647
39 HG2 ABA 5 2HG ABA 5 2.830 -0.575 -3.716
40 H VAL 6 H VAL 6 3.199 -4.083 -0.493
41 HA VAL 6 HA VAL 6 3.041 -4.412 2.258
42 HB VAL 6 HB VAL 6 3.871 -6.149 0.783
43 HG11 VAL 6 1HG1 VAL 6 6.150 -6.123 -0.155
44 HG12 VAL 6 2HG1 VAL 6 6.335 -4.461 0.404
45 HG13 VAL 6 3HG1 VAL 6 5.135 -4.844 -0.826
46 HG21 VAL 6 3HG2 VAL 6 5.917 -5.343 2.834
47 HG22 VAL 6 1HG2 VAL 6 5.804 -6.947 2.106
48 HG23 VAL 6 2HG2 VAL 6 4.485 -6.334 3.106
49 H ABA 7 H ABA 7 4.137 -3.666 3.926
50 HA ABA 7 HA ABA 7 5.096 -1.002 3.676
51 HB3 ABA 7 1HB ABA 7 5.449 -1.107 6.122
52 HB2 ABA 7 2HB ABA 7 4.998 -2.807 6.094
53 HG1 ABA 7 3HG ABA 7 2.796 -2.175 5.192
54 HG3 ABA 7 1HG ABA 7 3.250 -0.483 5.331
55 HG2 ABA 7 2HG ABA 7 3.106 -1.480 6.783
56 H ARG 8 H ARG 8 6.856 -0.888 2.509
57 HA ARG 8 HA ARG 8 9.326 -1.860 3.716
58 HB2 ARG 8 2HB ARG 8 8.699 -1.480 0.772
59 HB3 ARG 8 1HB ARG 8 10.216 -2.047 1.440
60 HG2 ARG 8 2HG ARG 8 7.608 -3.502 1.719
61 HG3 ARG 8 1HG ARG 8 8.797 -3.837 0.459
62 HD2 ARG 8 2HD ARG 8 10.422 -4.474 2.124
63 HD3 ARG 8 1HD ARG 8 9.333 -3.994 3.425
64 HE ARG 8 HE ARG 8 7.922 -5.804 2.887
65 HH11 ARG 8 1HH1 ARG 8 11.073 -5.928 1.273
66 HH12 ARG 8 2HH1 ARG 8 10.998 -7.585 0.950
67 HH21 ARG 8 1HH2 ARG 8 7.826 -8.159 2.415
68 HH22 ARG 8 2HH2 ARG 8 9.132 -8.879 1.648
69 H ARG 9 H ARG 9 10.957 -0.253 3.692
70 HA ARG 9 HA ARG 9 10.028 2.455 3.436
71 HB2 ARG 9 2HB ARG 9 12.760 1.338 4.073
72 HB3 ARG 9 1HB ARG 9 12.410 3.054 4.007
73 HG2 ARG 9 2HG ARG 9 11.133 1.077 5.900
74 HG3 ARG 9 1HG ARG 9 12.427 2.211 6.293
75 HD2 ARG 9 2HD ARG 9 10.946 4.091 5.747
76 HD3 ARG 9 1HD ARG 9 9.659 2.949 5.363
77 HE ARG 9 HE ARG 9 10.608 2.462 7.937
78 HH11 ARG 9 1HH1 ARG 9 8.689 4.855 6.168
79 HH12 ARG 9 2HH1 ARG 9 7.771 5.353 7.503
80 HH21 ARG 9 1HH2 ARG 9 9.329 3.125 9.813
81 HH22 ARG 9 2HH2 ARG 9 8.149 4.341 9.640
82 H GLY 10 H GLY 10 9.547 2.899 1.438
83 HA2 GLY 10 2HA GLY 10 11.145 3.999 -0.358
84 HA3 GLY 10 1HA GLY 10 11.355 2.286 -0.736
85 H VAL 11 H VAL 11 9.096 1.100 -0.623
86 HA VAL 11 HA VAL 11 7.148 2.788 -1.956
87 HB VAL 11 HB VAL 11 7.961 0.014 -2.915
88 HG11 VAL 11 1HG1 VAL 11 6.224 0.254 -4.623
89 HG12 VAL 11 2HG1 VAL 11 5.776 1.819 -3.967
90 HG13 VAL 11 3HG1 VAL 11 5.492 0.356 -3.018
91 HG21 VAL 11 3HG2 VAL 11 9.445 1.753 -3.674
92 HG22 VAL 11 1HG2 VAL 11 8.076 2.729 -4.201
93 HG23 VAL 11 2HG2 VAL 11 8.431 1.220 -5.023
94 H ABA 12 H ABA 12 5.774 2.955 -0.458
95 HA ABA 12 HA ABA 12 4.366 0.570 0.410
96 HB3 ABA 12 1HB ABA 12 5.100 2.900 2.235
97 HB2 ABA 12 2HB ABA 12 5.889 1.332 2.278
98 HG1 ABA 12 3HG ABA 12 3.731 0.296 2.889
99 HG3 ABA 12 1HG ABA 12 3.009 1.897 2.929
100 HG2 ABA 12 2HG ABA 12 4.284 1.477 4.074
101 H ARG 13 H ARG 13 3.532 1.631 -1.619
102 HA ARG 13 HA ARG 13 2.165 4.093 -1.476
103 HB2 ARG 13 2HB ARG 13 1.715 1.815 -3.412
104 HB3 ARG 13 1HB ARG 13 1.081 3.435 -3.592
105 HG2 ARG 13 2HG ARG 13 3.380 4.299 -3.745
106 HG3 ARG 13 1HG ARG 13 3.978 2.638 -3.610
107 HD2 ARG 13 2HD ARG 13 2.652 2.068 -5.641
108 HD3 ARG 13 1HD ARG 13 2.232 3.768 -5.792
109 HE ARG 13 HE ARG 13 5.013 3.568 -5.675
110 HH11 ARG 13 1HH1 ARG 13 2.330 2.796 -7.844
111 HH12 ARG 13 2HH1 ARG 13 3.270 2.797 -9.267
112 HH21 ARG 13 1HH2 ARG 13 6.346 3.520 -7.685
113 HH22 ARG 13 2HH2 ARG 13 5.574 3.204 -9.171
114 H ABA 14 H ABA 14 0.267 4.560 -0.692
115 HA ABA 14 HA ABA 14 -1.512 2.364 0.050
116 HB3 ABA 14 1HB ABA 14 -1.219 5.060 1.417
117 HB2 ABA 14 2HB ABA 14 -0.479 3.574 1.993
118 HG1 ABA 14 3HG ABA 14 -2.490 4.119 3.248
119 HG3 ABA 14 1HG ABA 14 -2.683 2.600 2.370
120 HG2 ABA 14 2HG ABA 14 -3.435 4.071 1.763
121 H VAL 15 H VAL 15 -1.952 2.850 -2.301
122 HA VAL 15 HA VAL 15 -3.730 5.087 -2.672
123 HB VAL 15 HB VAL 15 -3.940 4.148 -5.063
124 HG11 VAL 15 1HG1 VAL 15 -1.719 4.972 -5.730
125 HG12 VAL 15 2HG1 VAL 15 -1.191 4.878 -4.049
126 HG13 VAL 15 3HG1 VAL 15 -2.455 6.016 -4.514
127 HG21 VAL 15 3HG2 VAL 15 -3.250 1.838 -4.605
128 HG22 VAL 15 1HG2 VAL 15 -1.653 2.403 -4.112
129 HG23 VAL 15 2HG2 VAL 15 -2.168 2.586 -5.783
130 H ABA 16 H ABA 16 -5.428 4.741 -1.516
131 HA ABA 16 HA ABA 16 -6.541 2.269 -0.870
132 HB3 ABA 16 1HB ABA 16 -8.431 3.563 0.065
133 HB2 ABA 16 2HB ABA 16 -7.744 5.017 -0.656
134 HG1 ABA 16 3HG ABA 16 -6.404 3.291 1.406
135 HG3 ABA 16 1HG ABA 16 -7.192 4.843 1.705
136 HG2 ABA 16 2HG ABA 16 -5.745 4.764 0.694
137 H ARG 17 H ARG 17 -7.406 0.931 -2.196
138 HA ARG 17 HA ARG 17 -9.391 1.947 -4.059
139 HB2 ARG 17 2HB ARG 17 -7.751 -0.595 -4.192
140 HB3 ARG 17 1HB ARG 17 -9.038 -0.184 -5.310
141 HG2 ARG 17 2HG ARG 17 -6.484 1.373 -4.923
142 HG3 ARG 17 1HG ARG 17 -6.840 0.285 -6.266
143 HD2 ARG 17 2HD ARG 17 -8.304 2.839 -5.574
144 HD3 ARG 17 1HD ARG 17 -7.229 2.583 -6.945
145 HE ARG 17 HE ARG 17 -8.922 0.735 -7.495
146 HH11 ARG 17 1HH1 ARG 17 -9.718 3.933 -6.196
147 HH12 ARG 17 2HH1 ARG 17 -11.253 4.005 -6.915
148 HH21 ARG 17 1HH2 ARG 17 -11.073 0.848 -8.493
149 HH22 ARG 17 2HH2 ARG 17 -11.995 2.255 -8.275
150 H ARG 18 H ARG 18 -11.220 1.868 -3.062
151 HA ARG 18 HA ARG 18 -13.007 1.222 -1.962
152 HB2 ARG 18 2HB ARG 18 -12.095 -1.459 -2.920
153 HB3 ARG 18 1HB ARG 18 -13.635 -1.236 -2.080
154 HG2 ARG 18 2HG ARG 18 -14.293 0.360 -3.853
155 HG3 ARG 18 1HG ARG 18 -12.782 0.005 -4.692
156 HD2 ARG 18 2HD ARG 18 -13.425 -2.300 -4.943
157 HD3 ARG 18 1HD ARG 18 -14.884 -2.031 -3.986
158 HE ARG 18 HE ARG 18 -14.661 -0.328 -6.267
159 HH11 ARG 18 1HH1 ARG 18 -15.740 -3.537 -5.199
160 HH12 ARG 18 2HH1 ARG 18 -16.898 -3.708 -6.436
161 HH21 ARG 18 1HH2 ARG 18 -16.322 -0.588 -7.965
162 HH22 ARG 18 2HH2 ARG 18 -17.227 -2.027 -7.987
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -11.285 2.103 -1.191
2 HA2 GLY 1 2HA GLY 1 -11.485 3.565 0.683
3 HA3 GLY 1 1HA GLY 1 -11.299 2.171 1.742
4 H VAL 2 H VAL 2 -9.215 0.968 1.314
5 HA VAL 2 HA VAL 2 -7.013 2.553 0.543
6 HB VAL 2 HB VAL 2 -7.299 3.361 2.863
7 HG11 VAL 2 1HG1 VAL 2 -6.913 1.888 4.787
8 HG12 VAL 2 2HG1 VAL 2 -6.952 0.499 3.700
9 HG13 VAL 2 3HG1 VAL 2 -8.386 1.499 3.900
10 HG21 VAL 2 3HG2 VAL 2 -4.867 1.614 2.525
11 HG22 VAL 2 1HG2 VAL 2 -5.026 2.943 3.675
12 HG23 VAL 2 2HG2 VAL 2 -5.054 3.270 1.942
13 H ABA 3 H ABA 3 -5.668 1.307 -0.400
14 HA ABA 3 HA ABA 3 -5.727 -1.517 0.228
15 HB3 ABA 3 1HB ABA 3 -5.180 -0.136 -2.389
16 HB2 ABA 3 2HB ABA 3 -6.618 -1.055 -1.949
17 HG1 ABA 3 3HG ABA 3 -5.324 -3.110 -1.877
18 HG3 ABA 3 1HG ABA 3 -3.863 -2.194 -2.268
19 HG2 ABA 3 2HG ABA 3 -5.165 -2.295 -3.445
20 H ARG 4 H ARG 4 -4.061 -1.278 1.785
21 HA ARG 4 HA ARG 4 -1.497 -0.417 0.717
22 HB2 ARG 4 2HB ARG 4 -0.898 0.382 2.928
23 HB3 ARG 4 1HB ARG 4 -2.356 1.169 2.345
24 HG2 ARG 4 2HG ARG 4 -3.663 -0.449 3.775
25 HG3 ARG 4 1HG ARG 4 -2.123 -0.943 4.482
26 HD2 ARG 4 2HD ARG 4 -3.324 1.822 4.501
27 HD3 ARG 4 1HD ARG 4 -3.170 0.740 5.879
28 HE ARG 4 HE ARG 4 -0.657 0.974 5.306
29 HH11 ARG 4 1HH1 ARG 4 -3.082 3.569 5.232
30 HH12 ARG 4 2HH1 ARG 4 -1.936 4.811 5.433
31 HH21 ARG 4 1HH2 ARG 4 0.901 2.751 5.603
32 HH22 ARG 4 2HH2 ARG 4 0.294 4.352 5.666
33 H ABA 5 H ABA 5 0.076 -1.764 0.774
34 HA ABA 5 HA ABA 5 -0.095 -4.152 2.466
35 HB3 ABA 5 1HB ABA 5 -0.606 -4.856 0.190
36 HB2 ABA 5 2HB ABA 5 1.002 -5.423 0.600
37 HG1 ABA 5 3HG ABA 5 0.926 -4.594 -1.677
38 HG3 ABA 5 1HG ABA 5 1.994 -3.604 -0.681
39 HG2 ABA 5 2HG ABA 5 0.383 -3.021 -1.097
40 H VAL 6 H VAL 6 1.859 -4.807 3.376
41 HA VAL 6 HA VAL 6 3.677 -2.679 3.743
42 HB VAL 6 HB VAL 6 4.999 -4.186 5.218
43 HG11 VAL 6 1HG1 VAL 6 3.267 -4.450 6.932
44 HG12 VAL 6 2HG1 VAL 6 2.031 -4.145 5.715
45 HG13 VAL 6 3HG1 VAL 6 3.192 -2.883 6.132
46 HG21 VAL 6 3HG2 VAL 6 4.587 -6.324 4.071
47 HG22 VAL 6 1HG2 VAL 6 2.891 -6.254 4.548
48 HG23 VAL 6 2HG2 VAL 6 4.145 -6.420 5.777
49 H ABA 7 H ABA 7 5.193 -2.046 2.603
50 HA ABA 7 HA ABA 7 6.866 -3.848 1.049
51 HB3 ABA 7 1HB ABA 7 6.792 -1.978 -0.697
52 HB2 ABA 7 2HB ABA 7 5.439 -1.361 0.255
53 HG1 ABA 7 3HG ABA 7 4.122 -3.298 -0.175
54 HG3 ABA 7 1HG ABA 7 5.431 -4.039 -1.093
55 HG2 ABA 7 2HG ABA 7 4.646 -2.579 -1.700
56 H ARG 8 H ARG 8 8.469 -1.722 0.046
57 HA ARG 8 HA ARG 8 10.197 -1.385 2.183
58 HB2 ARG 8 2HB ARG 8 10.017 0.050 -0.439
59 HB3 ARG 8 1HB ARG 8 11.274 0.369 0.735
60 HG2 ARG 8 2HG ARG 8 11.846 -2.103 0.556
61 HG3 ARG 8 1HG ARG 8 10.798 -2.120 -0.866
62 HD2 ARG 8 2HD ARG 8 13.097 -1.710 -1.554
63 HD3 ARG 8 1HD ARG 8 12.121 -0.270 -1.835
64 HE ARG 8 HE ARG 8 13.968 -0.628 0.427
65 HH11 ARG 8 1HH1 ARG 8 12.400 1.486 -1.932
66 HH12 ARG 8 2HH1 ARG 8 13.111 2.924 -1.372
67 HH21 ARG 8 1HH2 ARG 8 15.030 1.323 1.177
68 HH22 ARG 8 2HH2 ARG 8 14.699 2.823 0.436
69 H ARG 9 H ARG 9 10.855 0.374 3.130
70 HA ARG 9 HA ARG 9 8.829 2.229 4.022
71 HB2 ARG 9 2HB ARG 9 11.723 1.863 4.822
72 HB3 ARG 9 1HB ARG 9 10.653 3.049 5.555
73 HG2 ARG 9 2HG ARG 9 9.182 1.275 6.323
74 HG3 ARG 9 1HG ARG 9 10.221 0.075 5.559
75 HD2 ARG 9 2HD ARG 9 12.014 0.600 7.042
76 HD3 ARG 9 1HD ARG 9 11.131 1.972 7.717
77 HE ARG 9 HE ARG 9 9.506 -0.173 8.095
78 HH11 ARG 9 1HH1 ARG 9 12.863 0.459 9.016
79 HH12 ARG 9 2HH1 ARG 9 12.760 -0.374 10.494
80 HH21 ARG 9 1HH2 ARG 9 9.356 -1.313 10.144
81 HH22 ARG 9 2HH2 ARG 9 10.729 -1.388 11.152
82 H GLY 10 H GLY 10 8.480 3.289 2.132
83 HA2 GLY 10 2HA GLY 10 9.277 5.708 1.593
84 HA3 GLY 10 1HA GLY 10 10.644 4.817 0.922
85 H VAL 11 H VAL 11 9.243 2.552 0.094
86 HA VAL 11 HA VAL 11 7.522 3.612 -2.028
87 HB VAL 11 HB VAL 11 9.398 1.269 -2.359
88 HG11 VAL 11 1HG1 VAL 11 8.952 1.595 -4.766
89 HG12 VAL 11 2HG1 VAL 11 7.808 2.871 -4.349
90 HG13 VAL 11 3HG1 VAL 11 7.503 1.214 -3.835
91 HG21 VAL 11 3HG2 VAL 11 10.763 3.257 -2.053
92 HG22 VAL 11 1HG2 VAL 11 9.855 4.087 -3.315
93 HG23 VAL 11 2HG2 VAL 11 10.850 2.689 -3.722
94 H ABA 12 H ABA 12 5.758 3.013 -0.799
95 HA ABA 12 HA ABA 12 5.352 0.156 -0.766
96 HB3 ABA 12 1HB ABA 12 5.759 0.721 1.566
97 HB2 ABA 12 2HB ABA 12 4.063 0.321 1.366
98 HG1 ABA 12 3HG ABA 12 4.321 2.202 2.846
99 HG3 ABA 12 1HG ABA 12 3.492 2.692 1.368
100 HG2 ABA 12 2HG ABA 12 5.194 3.092 1.600
101 H ARG 13 H ARG 13 3.444 -0.536 -1.424
102 HA ARG 13 HA ARG 13 1.950 1.394 -2.857
103 HB2 ARG 13 2HB ARG 13 1.738 -1.593 -2.710
104 HB3 ARG 13 1HB ARG 13 0.512 -0.620 -3.512
105 HG2 ARG 13 2HG ARG 13 2.218 0.307 -5.002
106 HG3 ARG 13 1HG ARG 13 3.444 -0.681 -4.203
107 HD2 ARG 13 2HD ARG 13 2.643 -1.652 -6.338
108 HD3 ARG 13 1HD ARG 13 2.362 -2.697 -4.944
109 HE ARG 13 HE ARG 13 0.036 -1.527 -5.046
110 HH11 ARG 13 1HH1 ARG 13 1.892 -2.723 -7.856
111 HH12 ARG 13 2HH1 ARG 13 0.504 -3.096 -8.746
112 HH21 ARG 13 1HH2 ARG 13 -1.853 -2.101 -6.298
113 HH22 ARG 13 2HH2 ARG 13 -1.644 -2.712 -7.865
114 H ABA 14 H ABA 14 0.605 2.571 -2.039
115 HA ABA 14 HA ABA 14 -1.393 1.582 -0.172
116 HB3 ABA 14 1HB ABA 14 0.079 4.237 0.009
117 HB2 ABA 14 2HB ABA 14 0.377 2.868 1.072
118 HG1 ABA 14 3HG ABA 14 -1.890 3.050 1.966
119 HG3 ABA 14 1HG ABA 14 -2.202 4.406 0.883
120 HG2 ABA 14 2HG ABA 14 -0.994 4.552 2.159
121 H VAL 15 H VAL 15 -2.431 1.385 -2.232
122 HA VAL 15 HA VAL 15 -3.129 3.896 -3.526
123 HB VAL 15 HB VAL 15 -4.125 2.526 -5.350
124 HG11 VAL 15 1HG1 VAL 15 -1.825 3.226 -5.569
125 HG12 VAL 15 2HG1 VAL 15 -2.036 1.621 -6.272
126 HG13 VAL 15 3HG1 VAL 15 -1.283 1.798 -4.689
127 HG21 VAL 15 3HG2 VAL 15 -3.654 0.093 -5.432
128 HG22 VAL 15 1HG2 VAL 15 -4.784 0.552 -4.161
129 HG23 VAL 15 2HG2 VAL 15 -3.107 0.173 -3.756
130 H ABA 16 H ABA 16 -5.510 4.020 -4.218
131 HA ABA 16 HA ABA 16 -6.931 3.485 -1.760
132 HB3 ABA 16 1HB ABA 16 -6.937 5.819 -2.203
133 HB2 ABA 16 2HB ABA 16 -8.550 5.235 -2.578
134 HG1 ABA 16 3HG ABA 16 -8.055 5.280 -4.954
135 HG3 ABA 16 1HG ABA 16 -6.425 5.854 -4.603
136 HG2 ABA 16 2HG ABA 16 -7.817 6.867 -4.215
137 H ARG 17 H ARG 17 -7.174 1.219 -2.407
138 HA ARG 17 HA ARG 17 -9.477 1.058 -4.143
139 HB2 ARG 17 2HB ARG 17 -7.351 -1.066 -3.735
140 HB3 ARG 17 1HB ARG 17 -8.860 -1.303 -4.601
141 HG2 ARG 17 2HG ARG 17 -8.198 0.405 -6.215
142 HG3 ARG 17 1HG ARG 17 -6.669 0.609 -5.362
143 HD2 ARG 17 2HD ARG 17 -6.125 -1.743 -5.790
144 HD3 ARG 17 1HD ARG 17 -7.649 -1.935 -6.654
145 HE ARG 17 HE ARG 17 -5.911 0.153 -7.615
146 HH11 ARG 17 1HH1 ARG 17 -6.983 -3.217 -8.021
147 HH12 ARG 17 2HH1 ARG 17 -6.367 -3.361 -9.597
148 HH21 ARG 17 1HH2 ARG 17 -5.043 -0.079 -9.784
149 HH22 ARG 17 2HH2 ARG 17 -5.226 -1.532 -10.633
150 H ARG 18 H ARG 18 -11.233 0.538 -3.218
151 HA ARG 18 HA ARG 18 -12.774 -0.041 -1.726
152 HB2 ARG 18 2HB ARG 18 -10.692 -2.017 -0.885
153 HB3 ARG 18 1HB ARG 18 -12.379 -2.118 -0.354
154 HG2 ARG 18 2HG ARG 18 -11.232 -2.509 -3.126
155 HG3 ARG 18 1HG ARG 18 -12.011 -3.724 -2.115
156 HD2 ARG 18 2HD ARG 18 -13.327 -1.309 -3.368
157 HD3 ARG 18 1HD ARG 18 -13.508 -2.979 -3.891
158 HE ARG 18 HE ARG 18 -14.227 -2.812 -1.211
159 HH11 ARG 18 1HH1 ARG 18 -15.427 -1.710 -4.361
160 HH12 ARG 18 2HH1 ARG 18 -17.058 -1.676 -3.906
161 HH21 ARG 18 1HH2 ARG 18 -16.478 -2.700 -0.550
162 HH22 ARG 18 2HH2 ARG 18 -17.673 -2.246 -1.687