Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
596384 | 2n6h RC | 25764 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA2 ACE 0 2.809 0.647 -4.737
2 H2 ACE 0 HA3 ACE 0 3.286 2.340 -4.879
3 H3 ACE 0 HA1 ACE 0 3.444 1.505 -3.333
4 H GLU 1 HN GLU 1 5.530 2.873 -4.853
5 HA GLU 1 HA GLU 1 7.219 0.816 -6.008
6 HB2 GLU 1 HB2 GLU 1 7.854 3.687 -5.287
7 HB3 GLU 1 HB1 GLU 1 8.841 2.631 -6.288
8 HG2 GLU 1 HG2 GLU 1 6.023 3.540 -6.949
9 HG3 GLU 1 HG1 GLU 1 7.493 4.205 -7.648
10 H ARG 2 HN ARG 2 8.795 -0.297 -5.034
11 HA ARG 2 HA ARG 2 9.289 0.234 -2.167
12 HB2 ARG 2 HB2 ARG 2 9.690 -2.283 -3.772
13 HB3 ARG 2 HB1 ARG 2 10.126 -2.088 -2.075
14 HG2 ARG 2 HG2 ARG 2 7.768 -1.592 -1.536
15 HG3 ARG 2 HG1 ARG 2 7.340 -1.831 -3.237
16 HD2 ARG 2 HD2 ARG 2 6.970 -3.895 -1.912
17 HD3 ARG 2 HD1 ARG 2 8.206 -4.126 -3.150
18 HE ARG 2 HE ARG 2 9.516 -3.278 -0.819
19 HH11 ARG 2 HH21 ARG 2 7.615 -5.937 -1.978
20 HH12 ARG 2 HH22 ARG 2 8.418 -7.119 -1.000
21 HH21 ARG 2 HH11 ARG 2 10.570 -4.828 0.466
22 HH22 ARG 2 HH12 ARG 2 10.092 -6.490 0.383
23 H PHE 3 HN PHE 3 11.242 0.423 -1.337
24 HA PHE 3 HA PHE 3 13.616 -0.250 -2.698
25 HB2 PHE 3 HB2 PHE 3 13.210 1.802 -3.973
26 HB3 PHE 3 HB1 PHE 3 13.025 2.722 -2.479
27 HD1 PHE 3 HD1 PHE 3 15.460 0.356 -4.115
28 HD2 PHE 3 HD2 PHE 3 14.917 3.776 -1.581
29 HE1 PHE 3 HE1 PHE 3 17.920 0.596 -3.900
30 HE2 PHE 3 HE2 PHE 3 17.374 4.032 -1.371
31 HZ PHE 3 HZ PHE 3 18.878 2.437 -2.540
32 H TYR 4 HN TYR 4 15.074 -0.715 -1.204
33 HA TYR 4 HA TYR 4 15.448 0.936 1.121
34 HB2 TYR 4 HB2 TYR 4 15.002 -0.762 2.798
35 HB3 TYR 4 HB1 TYR 4 13.543 -0.519 1.844
36 HD1 TYR 4 HD1 TYR 4 16.608 -2.656 2.031
37 HD2 TYR 4 HD2 TYR 4 12.494 -2.362 0.851
38 HE1 TYR 4 HE1 TYR 4 16.648 -5.017 1.392
39 HE2 TYR 4 HE2 TYR 4 12.508 -4.755 0.233
40 HH TYR 4 HH TYR 4 14.228 -6.893 1.159
41 H GLU 5 HN GLU 5 17.417 0.257 2.279
42 HA GLU 5 HA GLU 5 19.150 -1.475 0.570
43 HB2 GLU 5 HB2 GLU 5 20.025 0.750 2.418
44 HB3 GLU 5 HB1 GLU 5 21.052 -0.197 1.360
45 HG2 GLU 5 HG2 GLU 5 18.835 1.656 0.438
46 HG3 GLU 5 HG1 GLU 5 20.551 2.033 0.401
47 H LYS 6 HN LYS 6 19.829 -3.287 1.438
48 HA LYS 6 HA LYS 6 19.656 -3.647 4.381
49 HB2 LYS 6 HB2 LYS 6 18.251 -5.197 3.062
50 HB3 LYS 6 HB1 LYS 6 19.675 -5.726 2.170
51 HG2 LYS 6 HG2 LYS 6 20.699 -6.525 4.271
52 HG3 LYS 6 HG1 LYS 6 19.280 -5.985 5.168
53 HD2 LYS 6 HD2 LYS 6 17.867 -7.530 3.865
54 HD3 LYS 6 HD1 LYS 6 19.284 -8.068 2.963
55 HE2 LYS 6 HE2 LYS 6 20.322 -8.861 5.056
56 HE3 LYS 6 HE1 LYS 6 18.908 -8.322 5.962
57 HZ1 LYS 6 HZ1 LYS 6 17.588 -9.808 4.438
58 HZ2 LYS 6 HZ2 LYS 6 18.589 -10.596 5.562
59 HZ3 LYS 6 HZ3 LYS 6 19.063 -10.473 3.935
60 HAC 4G6 7 HAC 4G6 7 26.141 -2.528 5.085
61 HAB 4G6 7 HAB 4G6 7 26.008 -3.446 3.567
62 HAA 4G6 7 HAA 4G6 7 26.215 -1.679 3.522
63 HAF 4G6 7 HAF 4G6 7 22.759 -2.399 2.530
64 HAD 4G6 7 HAD 4G6 7 24.441 -2.453 1.945
65 HAE 4G6 7 HAE 4G6 7 23.747 -0.922 2.535
66 HAL 4G6 7 HAL 4G6 7 24.093 -0.300 4.699
67 HAH 4G6 7 HAH 4G6 7 23.897 -3.916 5.516
68 HAG 4G6 7 HAG 4G6 7 23.954 -4.438 3.819
69 HAI 4G6 7 HAI 4G6 7 21.639 -2.973 5.047
70 HA DPR 8 HA DPR 8 23.271 -0.295 8.032
71 HB2 DPR 8 HB2 DPR 8 24.694 1.161 6.830
72 HB3 DPR 8 HB1 DPR 8 23.624 1.163 5.410
73 HG2 DPR 8 HG2 DPR 8 23.284 2.550 8.028
74 HG3 DPR 8 HG1 DPR 8 22.840 3.092 6.399
75 HD2 DPR 8 HD2 DPR 8 21.104 1.837 8.302
76 HD3 DPR 8 HD1 DPR 8 20.732 2.182 6.598
77 H VAL 9 HN VAL 9 18.800 0.098 4.556
78 HA VAL 9 HA VAL 9 19.040 0.744 7.451
79 HB VAL 9 HB VAL 9 18.300 -1.871 6.119
80 HG11 VAL 9 HG11 VAL 9 19.409 -2.301 8.201
81 HG12 VAL 9 HG12 VAL 9 17.679 -2.470 8.499
82 HG13 VAL 9 HG13 VAL 9 18.523 -1.008 9.010
83 HG21 VAL 9 HG21 VAL 9 16.428 -0.454 5.841
84 HG22 VAL 9 HG22 VAL 9 16.665 0.316 7.412
85 HG23 VAL 9 HG23 VAL 9 16.074 -1.344 7.322
86 H GLN 10 HN GLN 10 16.527 3.515 4.721
87 HA GLN 10 HA GLN 10 18.043 1.583 3.235
88 HB2 GLN 10 HB2 GLN 10 20.201 2.843 3.369
89 HB3 GLN 10 HB1 GLN 10 19.032 3.571 2.267
90 HG2 GLN 10 HG2 GLN 10 18.371 5.161 4.011
91 HG3 GLN 10 HG1 GLN 10 19.531 4.436 5.127
92 HE21 GLN 10 HE21 GLN 10 19.183 7.032 3.083
93 HE22 GLN 10 HE22 GLN 10 20.813 7.304 2.697
94 H LYS 11 HN LYS 11 14.046 3.127 1.197
95 HA LYS 11 HA LYS 11 15.065 5.104 3.133
96 HB2 LYS 11 HB2 LYS 11 13.847 2.429 3.888
97 HB3 LYS 11 HB1 LYS 11 14.664 3.550 4.975
98 HG2 LYS 11 HG2 LYS 11 12.977 5.273 4.519
99 HG3 LYS 11 HG1 LYS 11 12.185 4.214 3.359
100 HD2 LYS 11 HD2 LYS 11 10.959 4.191 5.475
101 HD3 LYS 11 HD1 LYS 11 11.673 2.612 5.179
102 HE2 LYS 11 HE2 LYS 11 11.938 3.320 7.531
103 HE3 LYS 11 HE1 LYS 11 13.500 3.128 6.759
104 HZ1 LYS 11 HZ1 LYS 11 12.085 5.727 6.905
105 HZ2 LYS 11 HZ2 LYS 11 13.715 5.452 6.513
106 HZ3 LYS 11 HZ3 LYS 11 13.169 5.209 8.104
107 H PHE 12 HN PHE 12 10.664 5.543 -0.290
108 HA PHE 12 HA PHE 12 12.879 3.769 -0.435
109 HB2 PHE 12 HB2 PHE 12 12.607 6.730 -0.938
110 HB3 PHE 12 HB1 PHE 12 14.129 5.878 -1.154
111 HD1 PHE 12 HD1 PHE 12 10.495 5.304 -2.059
112 HD2 PHE 12 HD2 PHE 12 14.593 5.251 -3.352
113 HE1 PHE 12 HE1 PHE 12 9.797 4.580 -4.332
114 HE2 PHE 12 HE2 PHE 12 13.864 4.532 -5.607
115 HZ PHE 12 HZ PHE 12 11.445 4.206 -6.072
116 H ILE 13 HN ILE 13 8.678 3.558 -1.016
117 HA ILE 13 HA ILE 13 8.888 5.091 1.451
118 HB ILE 13 HB ILE 13 9.028 3.103 2.894
119 HG12 ILE 13 HG12 ILE 13 9.510 1.400 1.190
120 HG13 ILE 13 HG11 ILE 13 8.084 0.969 2.112
121 HG21 ILE 13 HG21 ILE 13 6.948 4.501 2.617
122 HG22 ILE 13 HG22 ILE 13 6.660 2.853 3.172
123 HG23 ILE 13 HG23 ILE 13 6.353 3.281 1.492
124 HD11 ILE 13 HD11 ILE 13 7.307 0.547 -0.016
125 HD12 ILE 13 HD12 ILE 13 8.323 1.782 -0.748
126 HD13 ILE 13 HD13 ILE 13 6.852 2.243 0.102
127 H ARG 14 HN ARG 14 4.945 5.915 -1.203
128 HA ARG 14 HA ARG 14 6.545 3.636 -2.133
129 HB2 ARG 14 HB2 ARG 14 8.343 5.134 -2.869
130 HB3 ARG 14 HB1 ARG 14 6.891 5.373 -3.828
131 HG2 ARG 14 HG2 ARG 14 6.304 7.321 -2.415
132 HG3 ARG 14 HG1 ARG 14 7.790 7.087 -1.494
133 HD2 ARG 14 HD2 ARG 14 7.640 7.652 -4.468
134 HD3 ARG 14 HD1 ARG 14 8.069 8.825 -3.229
135 HE ARG 14 HE ARG 14 9.804 6.615 -2.993
136 HH11 ARG 14 HH21 ARG 14 8.982 9.177 -5.168
137 HH12 ARG 14 HH22 ARG 14 10.571 9.301 -5.846
138 HH21 ARG 14 HH11 ARG 14 11.899 6.777 -3.879
139 HH22 ARG 14 HH12 ARG 14 12.220 7.944 -5.117
140 H1 ACE 15 HA2 ACE 15 2.245 5.030 -3.279
141 H2 ACE 15 HA3 ACE 15 2.897 6.276 -2.216
142 H3 ACE 15 HA1 ACE 15 2.303 4.762 -1.537
Start of MODEL 2
1 H1 ACE 0 HA2 ACE 0 10.522 4.072 -5.293
2 H2 ACE 0 HA3 ACE 0 9.128 3.628 -6.279
3 H3 ACE 0 HA1 ACE 0 10.535 2.570 -6.216
4 H GLU 1 HN GLU 1 7.690 2.052 -5.534
5 HA GLU 1 HA GLU 1 6.910 1.918 -2.975
6 HB2 GLU 1 HB2 GLU 1 5.682 0.916 -4.835
7 HB3 GLU 1 HB1 GLU 1 6.883 -0.368 -4.944
8 HG2 GLU 1 HG2 GLU 1 4.896 -1.114 -3.704
9 HG3 GLU 1 HG1 GLU 1 6.314 -1.106 -2.666
10 H ARG 2 HN ARG 2 9.343 -0.258 -4.407
11 HA ARG 2 HA ARG 2 9.683 -1.882 -2.217
12 HB2 ARG 2 HB2 ARG 2 10.587 -2.241 -4.536
13 HB3 ARG 2 HB1 ARG 2 11.795 -1.023 -4.199
14 HG2 ARG 2 HG2 ARG 2 12.802 -3.177 -3.971
15 HG3 ARG 2 HG1 ARG 2 12.664 -2.469 -2.375
16 HD2 ARG 2 HD2 ARG 2 10.706 -4.483 -3.534
17 HD3 ARG 2 HD1 ARG 2 12.022 -4.909 -2.464
18 HE ARG 2 HE ARG 2 10.502 -2.960 -1.158
19 HH11 ARG 2 HH21 ARG 2 10.193 -6.172 -2.404
20 HH12 ARG 2 HH22 ARG 2 9.061 -6.679 -1.195
21 HH21 ARG 2 HH11 ARG 2 9.018 -3.616 0.428
22 HH22 ARG 2 HH12 ARG 2 8.395 -5.232 0.407
23 H PHE 3 HN PHE 3 12.744 -0.588 -2.640
24 HA PHE 3 HA PHE 3 14.151 0.499 -1.165
25 HB2 PHE 3 HB2 PHE 3 11.671 2.219 -1.019
26 HB3 PHE 3 HB1 PHE 3 13.190 2.671 -0.252
27 HD1 PHE 3 HD1 PHE 3 11.996 1.360 -3.601
28 HD2 PHE 3 HD2 PHE 3 14.546 4.098 -1.479
29 HE1 PHE 3 HE1 PHE 3 12.797 2.291 -5.749
30 HE2 PHE 3 HE2 PHE 3 15.328 5.029 -3.624
31 HZ PHE 3 HZ PHE 3 14.462 4.127 -5.766
32 H TYR 4 HN TYR 4 14.014 -1.484 0.177
33 HA TYR 4 HA TYR 4 12.666 -1.052 2.790
34 HB2 TYR 4 HB2 TYR 4 12.748 -3.506 3.006
35 HB3 TYR 4 HB1 TYR 4 11.883 -3.027 1.544
36 HD1 TYR 4 HD1 TYR 4 15.280 -4.049 2.773
37 HD2 TYR 4 HD2 TYR 4 12.601 -3.755 -0.525
38 HE1 TYR 4 HE1 TYR 4 16.965 -5.130 1.340
39 HE2 TYR 4 HE2 TYR 4 14.242 -4.868 -1.991
40 HH TYR 4 HH TYR 4 16.810 -6.592 -0.868
41 H GLU 5 HN GLU 5 13.776 -2.173 4.590
42 HA GLU 5 HA GLU 5 15.727 -1.376 5.866
43 HB2 GLU 5 HB2 GLU 5 14.916 -3.630 6.307
44 HB3 GLU 5 HB1 GLU 5 15.915 -4.251 4.998
45 HG2 GLU 5 HG2 GLU 5 17.950 -3.505 6.178
46 HG3 GLU 5 HG1 GLU 5 16.956 -2.850 7.479
47 H LYS 6 HN LYS 6 16.753 -3.148 2.962
48 HA LYS 6 HA LYS 6 19.119 -1.404 2.859
49 HB2 LYS 6 HB2 LYS 6 19.730 -3.558 3.959
50 HB3 LYS 6 HB1 LYS 6 19.188 -4.384 2.500
51 HG2 LYS 6 HG2 LYS 6 20.857 -3.175 1.168
52 HG3 LYS 6 HG1 LYS 6 21.350 -2.276 2.602
53 HD2 LYS 6 HD2 LYS 6 22.942 -4.079 2.175
54 HD3 LYS 6 HD1 LYS 6 22.066 -4.391 3.667
55 HE2 LYS 6 HE2 LYS 6 20.619 -6.005 2.509
56 HE3 LYS 6 HE1 LYS 6 21.416 -5.647 0.978
57 HZ1 LYS 6 HZ1 LYS 6 23.527 -6.318 2.171
58 HZ2 LYS 6 HZ2 LYS 6 22.435 -7.567 1.803
59 HZ3 LYS 6 HZ3 LYS 6 22.529 -6.955 3.385
60 HAC 4G6 7 HAC 4G6 7 21.449 -2.622 -2.583
61 HAB 4G6 7 HAB 4G6 7 22.484 -1.496 -1.672
62 HAA 4G6 7 HAA 4G6 7 21.367 -2.578 -0.805
63 HAF 4G6 7 HAF 4G6 7 21.028 -0.540 -3.811
64 HAD 4G6 7 HAD 4G6 7 19.496 0.245 -3.353
65 HAE 4G6 7 HAE 4G6 7 19.544 -1.508 -3.660
66 HAL 4G6 7 HAL 4G6 7 20.450 1.201 -1.499
67 HAH 4G6 7 HAH 4G6 7 18.909 -2.427 -1.529
68 HAG 4G6 7 HAG 4G6 7 18.328 -0.764 -1.307
69 HAI 4G6 7 HAI 4G6 7 20.116 -1.173 0.796
70 HA DPR 8 HA DPR 8 23.165 1.849 0.561
71 HB2 DPR 8 HB2 DPR 8 22.398 3.140 -1.246
72 HB3 DPR 8 HB1 DPR 8 20.700 2.723 -0.943
73 HG2 DPR 8 HG2 DPR 8 22.465 4.620 0.536
74 HG3 DPR 8 HG1 DPR 8 20.763 4.797 0.072
75 HD2 DPR 8 HD2 DPR 8 21.635 3.993 2.601
76 HD3 DPR 8 HD1 DPR 8 20.015 3.673 1.950
77 H VAL 9 HN VAL 9 18.751 0.146 3.678
78 HA VAL 9 HA VAL 9 20.383 2.603 3.996
79 HB VAL 9 HB VAL 9 20.450 1.114 5.961
80 HG11 VAL 9 HG11 VAL 9 21.251 -1.069 5.988
81 HG12 VAL 9 HG12 VAL 9 21.969 -0.938 4.392
82 HG13 VAL 9 HG13 VAL 9 20.230 -1.051 4.571
83 HG21 VAL 9 HG21 VAL 9 22.380 2.535 5.265
84 HG22 VAL 9 HG22 VAL 9 23.060 1.129 4.445
85 HG23 VAL 9 HG23 VAL 9 22.857 1.116 6.197
86 H GLN 10 HN GLN 10 15.579 3.256 3.769
87 HA GLN 10 HA GLN 10 16.504 0.478 3.855
88 HB2 GLN 10 HB2 GLN 10 16.987 0.532 1.431
89 HB3 GLN 10 HB1 GLN 10 15.270 0.728 1.764
90 HG2 GLN 10 HG2 GLN 10 15.901 2.303 0.046
91 HG3 GLN 10 HG1 GLN 10 15.524 3.187 1.519
92 HE21 GLN 10 HE21 GLN 10 16.987 4.856 1.845
93 HE22 GLN 10 HE22 GLN 10 18.637 4.794 1.453
94 H LYS 11 HN LYS 11 12.255 2.832 3.199
95 HA LYS 11 HA LYS 11 13.933 3.583 5.541
96 HB2 LYS 11 HB2 LYS 11 11.800 1.435 5.320
97 HB3 LYS 11 HB1 LYS 11 12.903 1.589 6.676
98 HG2 LYS 11 HG2 LYS 11 10.752 2.604 7.235
99 HG3 LYS 11 HG1 LYS 11 11.990 3.846 7.150
100 HD2 LYS 11 HD2 LYS 11 11.197 4.510 4.934
101 HD3 LYS 11 HD1 LYS 11 10.011 3.216 4.951
102 HE2 LYS 11 HE2 LYS 11 8.950 4.237 6.927
103 HE3 LYS 11 HE1 LYS 11 10.156 5.524 6.905
104 HZ1 LYS 11 HZ1 LYS 11 7.893 5.063 5.122
105 HZ2 LYS 11 HZ2 LYS 11 9.309 5.690 4.422
106 HZ3 LYS 11 HZ3 LYS 11 8.545 6.522 5.691
107 H PHE 12 HN PHE 12 10.548 5.670 2.191
108 HA PHE 12 HA PHE 12 13.040 4.440 1.267
109 HB2 PHE 12 HB2 PHE 12 12.456 7.159 2.433
110 HB3 PHE 12 HB1 PHE 12 14.053 6.621 1.938
111 HD1 PHE 12 HD2 PHE 12 11.940 5.064 -0.437
112 HD2 PHE 12 HD1 PHE 12 13.373 8.966 0.715
113 HE1 PHE 12 HE2 PHE 12 11.568 5.868 -2.707
114 HE2 PHE 12 HE1 PHE 12 12.977 9.767 -1.592
115 HZ PHE 12 HZ PHE 12 12.072 8.226 -3.300
116 H ILE 13 HN ILE 13 8.739 3.040 -0.607
117 HA ILE 13 HA ILE 13 8.673 4.696 1.889
118 HB ILE 13 HB ILE 13 8.739 2.609 3.173
119 HG12 ILE 13 HG12 ILE 13 8.400 1.270 0.494
120 HG13 ILE 13 HG11 ILE 13 9.834 1.154 1.496
121 HG21 ILE 13 HG21 ILE 13 6.443 2.052 2.861
122 HG22 ILE 13 HG22 ILE 13 6.493 2.514 1.160
123 HG23 ILE 13 HG23 ILE 13 6.596 3.751 2.413
124 HD11 ILE 13 HD11 ILE 13 7.072 0.120 2.112
125 HD12 ILE 13 HD12 ILE 13 8.325 0.278 3.342
126 HD13 ILE 13 HD13 ILE 13 8.567 -0.804 1.971
127 H ARG 14 HN ARG 14 5.511 5.318 -1.434
128 HA ARG 14 HA ARG 14 7.845 3.842 -2.338
129 HB2 ARG 14 HB2 ARG 14 7.874 6.858 -2.354
130 HB3 ARG 14 HB1 ARG 14 9.272 5.809 -2.573
131 HG2 ARG 14 HG2 ARG 14 8.131 4.779 -4.520
132 HG3 ARG 14 HG1 ARG 14 6.842 5.957 -4.352
133 HD2 ARG 14 HD2 ARG 14 8.409 6.741 -6.039
134 HD3 ARG 14 HD1 ARG 14 8.477 7.790 -4.625
135 HE ARG 14 HE ARG 14 10.418 5.766 -4.324
136 HH11 ARG 14 HH21 ARG 14 9.658 8.512 -6.293
137 HH12 ARG 14 HH22 ARG 14 11.310 8.878 -6.663
138 HH21 ARG 14 HH11 ARG 14 12.587 6.238 -4.814
139 HH22 ARG 14 HH12 ARG 14 12.967 7.592 -5.825
140 H1 ACE 15 HA2 ACE 15 3.474 3.596 -3.703
141 H2 ACE 15 HA3 ACE 15 3.646 5.351 -3.719
142 H3 ACE 15 HA1 ACE 15 3.526 4.492 -2.185
Start of MODEL 3
1 H1 ACE 0 HA2 ACE 0 4.725 0.057 -4.199
2 H2 ACE 0 HA3 ACE 0 3.290 0.894 -3.606
3 H3 ACE 0 HA1 ACE 0 3.681 -0.718 -3.009
4 H GLU 1 HN GLU 1 6.579 -0.035 -2.906
5 HA GLU 1 HA GLU 1 6.855 2.096 -0.986
6 HB2 GLU 1 HB2 GLU 1 7.556 0.638 0.872
7 HB3 GLU 1 HB1 GLU 1 5.875 0.363 0.429
8 HG2 GLU 1 HG2 GLU 1 6.549 -1.591 -0.921
9 HG3 GLU 1 HG1 GLU 1 8.230 -1.326 -0.462
10 H ARG 2 HN ARG 2 8.012 0.943 -3.545
11 HA ARG 2 HA ARG 2 10.608 -0.054 -3.055
12 HB2 ARG 2 HB2 ARG 2 9.468 1.374 -5.456
13 HB3 ARG 2 HB1 ARG 2 11.109 0.746 -5.396
14 HG2 ARG 2 HG2 ARG 2 9.367 -0.767 -6.508
15 HG3 ARG 2 HG1 ARG 2 10.357 -1.512 -5.255
16 HD2 ARG 2 HD2 ARG 2 7.641 -0.319 -4.709
17 HD3 ARG 2 HD1 ARG 2 7.893 -2.021 -5.104
18 HE ARG 2 HE ARG 2 8.657 -0.712 -2.639
19 HH11 ARG 2 HH21 ARG 2 9.231 -3.321 -4.818
20 HH12 ARG 2 HH22 ARG 2 10.166 -4.237 -3.684
21 HH21 ARG 2 HH11 ARG 2 9.858 -1.898 -1.140
22 HH22 ARG 2 HH12 ARG 2 10.522 -3.430 -1.599
23 H PHE 3 HN PHE 3 12.476 0.913 -3.782
24 HA PHE 3 HA PHE 3 14.049 2.448 -3.889
25 HB2 PHE 3 HB2 PHE 3 12.616 4.379 -4.377
26 HB3 PHE 3 HB1 PHE 3 12.194 4.507 -2.664
27 HD1 PHE 3 HD1 PHE 3 15.271 4.218 -4.815
28 HD2 PHE 3 HD2 PHE 3 13.464 5.943 -1.328
29 HE1 PHE 3 HE1 PHE 3 17.380 5.420 -4.311
30 HE2 PHE 3 HE2 PHE 3 15.573 7.144 -0.817
31 HZ PHE 3 HZ PHE 3 17.527 6.891 -2.321
32 H TYR 4 HN TYR 4 15.268 1.238 -2.495
33 HA TYR 4 HA TYR 4 15.719 2.429 0.063
34 HB2 TYR 4 HB2 TYR 4 15.024 0.498 1.409
35 HB3 TYR 4 HB1 TYR 4 13.649 1.139 0.503
36 HD1 TYR 4 HD1 TYR 4 16.313 -1.443 0.473
37 HD2 TYR 4 HD2 TYR 4 12.522 -0.194 -1.082
38 HE1 TYR 4 HE1 TYR 4 16.114 -3.590 -0.706
39 HE2 TYR 4 HE2 TYR 4 12.297 -2.346 -2.275
40 HH TYR 4 HH TYR 4 14.752 -4.916 -1.905
41 H GLU 5 HN GLU 5 17.509 1.445 1.183
42 HA GLU 5 HA GLU 5 19.180 -0.303 -0.547
43 HB2 GLU 5 HB2 GLU 5 20.063 2.020 -0.353
44 HB3 GLU 5 HB1 GLU 5 20.082 1.855 1.393
45 HG2 GLU 5 HG2 GLU 5 21.659 0.124 -0.529
46 HG3 GLU 5 HG1 GLU 5 22.318 1.475 0.386
47 H LYS 6 HN LYS 6 18.648 -2.233 0.330
48 HA LYS 6 HA LYS 6 18.788 -2.543 3.270
49 HB2 LYS 6 HB2 LYS 6 16.637 -3.153 2.215
50 HB3 LYS 6 HB1 LYS 6 17.504 -4.289 1.184
51 HG2 LYS 6 HG2 LYS 6 18.222 -5.578 3.129
52 HG3 LYS 6 HG1 LYS 6 17.490 -4.403 4.203
53 HD2 LYS 6 HD2 LYS 6 16.070 -6.382 4.042
54 HD3 LYS 6 HD1 LYS 6 15.253 -4.997 3.342
55 HE2 LYS 6 HE2 LYS 6 16.716 -7.117 1.739
56 HE3 LYS 6 HE1 LYS 6 14.979 -7.097 2.012
57 HZ1 LYS 6 HZ1 LYS 6 16.545 -5.607 0.146
58 HZ2 LYS 6 HZ2 LYS 6 15.529 -4.603 1.070
59 HZ3 LYS 6 HZ3 LYS 6 14.874 -5.887 0.177
60 HAC 4G6 7 HAC 4G6 7 24.493 -5.775 2.554
61 HAB 4G6 7 HAB 4G6 7 25.221 -4.439 3.476
62 HAA 4G6 7 HAA 4G6 7 24.149 -5.602 4.292
63 HAF 4G6 7 HAF 4G6 7 23.859 -2.959 1.422
64 HAD 4G6 7 HAD 4G6 7 22.187 -3.535 1.207
65 HAE 4G6 7 HAE 4G6 7 23.553 -4.654 0.978
66 HAL 4G6 7 HAL 4G6 7 23.463 -2.108 3.458
67 HAH 4G6 7 HAH 4G6 7 21.930 -5.498 4.249
68 HAG 4G6 7 HAG 4G6 7 21.748 -5.731 2.496
69 HAI 4G6 7 HAI 4G6 7 20.401 -3.648 4.137
70 HA DPR 8 HA DPR 8 23.393 -1.878 6.880
71 HB2 DPR 8 HB2 DPR 8 24.729 -0.731 5.320
72 HB3 DPR 8 HB1 DPR 8 23.385 -0.558 4.172
73 HG2 DPR 8 HG2 DPR 8 23.896 0.915 6.711
74 HG3 DPR 8 HG1 DPR 8 23.203 1.502 5.189
75 HD2 DPR 8 HD2 DPR 8 21.739 0.655 7.492
76 HD3 DPR 8 HD1 DPR 8 21.065 0.997 5.884
77 H VAL 9 HN VAL 9 18.689 -0.564 4.505
78 HA VAL 9 HA VAL 9 19.442 -0.054 7.278
79 HB VAL 9 HB VAL 9 17.276 -1.114 7.515
80 HG11 VAL 9 HG11 VAL 9 17.586 -2.345 5.211
81 HG12 VAL 9 HG12 VAL 9 16.603 -3.073 6.476
82 HG13 VAL 9 HG13 VAL 9 18.248 -3.635 6.218
83 HG21 VAL 9 HG21 VAL 9 19.256 -1.692 9.024
84 HG22 VAL 9 HG22 VAL 9 19.389 -3.193 8.108
85 HG23 VAL 9 HG23 VAL 9 17.924 -2.847 9.026
86 H GLN 10 HN GLN 10 15.623 2.262 5.409
87 HA GLN 10 HA GLN 10 17.038 0.664 3.577
88 HB2 GLN 10 HB2 GLN 10 19.163 2.015 3.483
89 HB3 GLN 10 HB1 GLN 10 17.842 2.656 2.517
90 HG2 GLN 10 HG2 GLN 10 18.945 4.466 3.724
91 HG3 GLN 10 HG1 GLN 10 17.314 4.247 4.348
92 HE21 GLN 10 HE21 GLN 10 17.271 4.353 6.593
93 HE22 GLN 10 HE22 GLN 10 18.512 3.817 7.620
94 H LYS 11 HN LYS 11 13.630 3.664 1.792
95 HA LYS 11 HA LYS 11 14.102 4.078 4.611
96 HB2 LYS 11 HB2 LYS 11 13.323 1.847 5.314
97 HB3 LYS 11 HB1 LYS 11 11.988 2.829 4.710
98 HG2 LYS 11 HG2 LYS 11 12.165 1.711 2.511
99 HG3 LYS 11 HG1 LYS 11 13.482 0.718 3.131
100 HD2 LYS 11 HD2 LYS 11 11.992 -0.226 4.842
101 HD3 LYS 11 HD1 LYS 11 10.668 0.778 4.250
102 HE2 LYS 11 HE2 LYS 11 10.511 -1.497 3.320
103 HE3 LYS 11 HE1 LYS 11 10.822 -0.322 2.043
104 HZ1 LYS 11 HZ1 LYS 11 12.899 -1.098 1.702
105 HZ2 LYS 11 HZ2 LYS 11 12.236 -2.531 2.328
106 HZ3 LYS 11 HZ3 LYS 11 13.151 -1.507 3.328
107 H PHE 12 HN PHE 12 10.543 4.527 0.262
108 HA PHE 12 HA PHE 12 12.697 5.172 0.680
109 HB2 PHE 12 HB2 PHE 12 11.270 7.427 2.094
110 HB3 PHE 12 HB1 PHE 12 13.015 7.374 1.873
111 HD1 PHE 12 HD1 PHE 12 9.900 6.858 -0.212
112 HD2 PHE 12 HD2 PHE 12 13.864 8.511 0.031
113 HE1 PHE 12 HE1 PHE 12 9.681 7.775 -2.503
114 HE2 PHE 12 HE2 PHE 12 13.622 9.420 -2.258
115 HZ PHE 12 HZ PHE 12 11.526 9.052 -3.524
116 H ILE 13 HN ILE 13 9.055 3.643 -0.324
117 HA ILE 13 HA ILE 13 7.559 5.389 1.580
118 HB ILE 13 HB ILE 13 7.071 2.962 1.908
119 HG12 ILE 13 HG12 ILE 13 8.774 4.161 4.121
120 HG13 ILE 13 HG11 ILE 13 7.071 4.532 3.853
121 HG21 ILE 13 HG21 ILE 13 8.838 1.464 2.608
122 HG22 ILE 13 HG22 ILE 13 10.009 2.779 2.638
123 HG23 ILE 13 HG23 ILE 13 9.348 2.227 1.104
124 HD11 ILE 13 HD11 ILE 13 7.097 2.835 5.524
125 HD12 ILE 13 HD12 ILE 13 8.306 1.892 4.653
126 HD13 ILE 13 HD13 ILE 13 6.661 2.007 4.029
127 H ARG 14 HN ARG 14 5.710 4.907 -2.856
128 HA ARG 14 HA ARG 14 8.205 3.415 -2.331
129 HB2 ARG 14 HB2 ARG 14 8.011 6.312 -3.134
130 HB3 ARG 14 HB1 ARG 14 9.479 5.497 -2.580
131 HG2 ARG 14 HG2 ARG 14 9.315 3.910 -4.426
132 HG3 ARG 14 HG1 ARG 14 7.837 4.687 -4.987
133 HD2 ARG 14 HD2 ARG 14 9.770 5.496 -6.279
134 HD3 ARG 14 HD1 ARG 14 9.075 6.801 -5.322
135 HE ARG 14 HE ARG 14 11.115 5.579 -3.813
136 HH11 ARG 14 HH21 ARG 14 10.653 7.450 -6.690
137 HH12 ARG 14 HH22 ARG 14 12.194 8.237 -6.589
138 HH21 ARG 14 HH11 ARG 14 13.125 6.624 -3.668
139 HH22 ARG 14 HH12 ARG 14 13.595 7.765 -4.882
140 H1 ACE 15 HA2 ACE 15 4.584 4.021 -4.988
141 H2 ACE 15 HA3 ACE 15 3.969 3.136 -3.591
142 H3 ACE 15 HA1 ACE 15 4.604 2.258 -4.983
Start of MODEL 4
1 H1 ACE 0 HA2 ACE 0 5.550 2.892 -6.311
2 H2 ACE 0 HA3 ACE 0 5.884 4.576 -6.721
3 H3 ACE 0 HA1 ACE 0 5.940 4.051 -5.039
4 H GLU 1 HN GLU 1 7.845 3.317 -4.222
5 HA GLU 1 HA GLU 1 9.973 2.424 -6.031
6 HB2 GLU 1 HB2 GLU 1 10.300 4.875 -5.729
7 HB3 GLU 1 HB1 GLU 1 10.358 4.629 -3.982
8 HG2 GLU 1 HG2 GLU 1 12.269 3.123 -4.262
9 HG3 GLU 1 HG1 GLU 1 12.218 3.363 -5.998
10 H ARG 2 HN ARG 2 10.905 0.664 -5.183
11 HA ARG 2 HA ARG 2 9.854 -0.549 -2.917
12 HB2 ARG 2 HB2 ARG 2 11.433 -2.307 -3.248
13 HB3 ARG 2 HB1 ARG 2 10.998 -1.705 -4.838
14 HG2 ARG 2 HG2 ARG 2 13.538 -1.086 -3.298
15 HG3 ARG 2 HG1 ARG 2 13.398 -2.046 -4.756
16 HD2 ARG 2 HD2 ARG 2 12.932 0.920 -4.510
17 HD3 ARG 2 HD1 ARG 2 14.255 0.126 -5.329
18 HE ARG 2 HE ARG 2 11.693 0.604 -6.375
19 HH11 ARG 2 HH21 ARG 2 14.289 -1.670 -6.311
20 HH12 ARG 2 HH22 ARG 2 13.857 -2.423 -7.810
21 HH21 ARG 2 HH11 ARG 2 11.110 -0.382 -8.352
22 HH22 ARG 2 HH12 ARG 2 12.060 -1.694 -8.963
23 H PHE 3 HN PHE 3 12.228 1.757 -3.127
24 HA PHE 3 HA PHE 3 14.230 1.736 -1.554
25 HB2 PHE 3 HB2 PHE 3 12.940 3.807 -2.220
26 HB3 PHE 3 HB1 PHE 3 11.966 3.578 -0.778
27 HD1 PHE 3 HD1 PHE 3 15.560 3.738 -1.823
28 HD2 PHE 3 HD2 PHE 3 12.653 4.696 1.163
29 HE1 PHE 3 HE1 PHE 3 17.287 4.961 -0.533
30 HE2 PHE 3 HE2 PHE 3 14.359 5.921 2.461
31 HZ PHE 3 HZ PHE 3 16.687 6.062 1.606
32 H TYR 4 HN TYR 4 13.697 -0.450 -0.276
33 HA TYR 4 HA TYR 4 12.341 0.149 2.296
34 HB2 TYR 4 HB2 TYR 4 11.915 -2.246 2.483
35 HB3 TYR 4 HB1 TYR 4 11.280 -1.628 0.964
36 HD1 TYR 4 HD1 TYR 4 14.364 -3.172 2.382
37 HD2 TYR 4 HD2 TYR 4 11.803 -2.780 -1.006
38 HE1 TYR 4 HE1 TYR 4 15.802 -4.724 1.165
39 HE2 TYR 4 HE2 TYR 4 13.205 -4.394 -2.246
40 HH TYR 4 HH TYR 4 15.588 -5.197 -2.176
41 H GLU 5 HN GLU 5 13.126 -0.666 4.189
42 HA GLU 5 HA GLU 5 15.245 -0.129 5.378
43 HB2 GLU 5 HB2 GLU 5 15.416 -2.277 6.597
44 HB3 GLU 5 HB1 GLU 5 13.765 -1.689 6.427
45 HG2 GLU 5 HG2 GLU 5 13.423 -3.195 4.508
46 HG3 GLU 5 HG1 GLU 5 15.073 -3.787 4.670
47 H LYS 6 HN LYS 6 15.644 -2.774 3.086
48 HA LYS 6 HA LYS 6 18.545 -2.207 3.079
49 HB2 LYS 6 HB2 LYS 6 17.242 -4.931 2.904
50 HB3 LYS 6 HB1 LYS 6 18.962 -4.612 2.709
51 HG2 LYS 6 HG2 LYS 6 19.054 -3.706 5.000
52 HG3 LYS 6 HG1 LYS 6 17.330 -4.011 5.194
53 HD2 LYS 6 HD2 LYS 6 17.709 -6.421 4.841
54 HD3 LYS 6 HD1 LYS 6 19.435 -6.121 4.638
55 HE2 LYS 6 HE2 LYS 6 18.948 -6.865 6.937
56 HE3 LYS 6 HE1 LYS 6 19.541 -5.204 6.933
57 HZ1 LYS 6 HZ1 LYS 6 17.136 -6.153 7.957
58 HZ2 LYS 6 HZ2 LYS 6 16.746 -5.198 6.606
59 HZ3 LYS 6 HZ3 LYS 6 17.666 -4.544 7.875
60 HAC 4G6 7 HAC 4G6 7 20.699 -4.860 -1.969
61 HAB 4G6 7 HAB 4G6 7 21.959 -3.907 -1.151
62 HAA 4G6 7 HAA 4G6 7 20.566 -4.521 -0.228
63 HAF 4G6 7 HAF 4G6 7 19.431 -1.804 -3.254
64 HAD 4G6 7 HAD 4G6 7 19.490 -3.576 -3.422
65 HAE 4G6 7 HAE 4G6 7 20.995 -2.626 -3.455
66 HAL 4G6 7 HAL 4G6 7 20.737 -0.797 -1.455
67 HAH 4G6 7 HAH 4G6 7 18.234 -3.853 -1.305
68 HAG 4G6 7 HAG 4G6 7 18.135 -2.083 -1.208
69 HAI 4G6 7 HAI 4G6 7 19.585 -3.298 1.034
70 HA DPR 8 HA DPR 8 23.190 -0.578 0.937
71 HB2 DPR 8 HB2 DPR 8 23.003 0.584 -1.103
72 HB3 DPR 8 HB1 DPR 8 21.234 0.686 -0.985
73 HG2 DPR 8 HG2 DPR 8 23.308 2.215 0.522
74 HG3 DPR 8 HG1 DPR 8 21.797 2.790 -0.210
75 HD2 DPR 8 HD2 DPR 8 22.089 2.156 2.490
76 HD3 DPR 8 HD1 DPR 8 20.532 2.179 1.631
77 H VAL 9 HN VAL 9 18.195 -0.153 2.946
78 HA VAL 9 HA VAL 9 20.553 1.294 3.992
79 HB VAL 9 HB VAL 9 19.677 -1.472 4.862
80 HG11 VAL 9 HG11 VAL 9 22.022 -1.422 4.794
81 HG12 VAL 9 HG12 VAL 9 21.593 -1.136 6.482
82 HG13 VAL 9 HG13 VAL 9 22.088 0.212 5.457
83 HG21 VAL 9 HG21 VAL 9 18.909 -0.604 6.862
84 HG22 VAL 9 HG22 VAL 9 18.524 0.760 5.823
85 HG23 VAL 9 HG23 VAL 9 19.985 0.793 6.797
86 H GLN 10 HN GLN 10 16.202 3.376 4.364
87 HA GLN 10 HA GLN 10 16.213 0.810 3.073
88 HB2 GLN 10 HB2 GLN 10 15.622 2.262 1.168
89 HB3 GLN 10 HB1 GLN 10 17.079 3.200 1.481
90 HG2 GLN 10 HG2 GLN 10 18.478 1.220 1.061
91 HG3 GLN 10 HG1 GLN 10 17.034 0.252 0.783
92 HE21 GLN 10 HE21 GLN 10 16.640 -0.016 -1.412
93 HE22 GLN 10 HE22 GLN 10 16.988 1.133 -2.612
94 H LYS 11 HN LYS 11 12.361 3.989 2.976
95 HA LYS 11 HA LYS 11 14.343 4.375 4.929
96 HB2 LYS 11 HB2 LYS 11 14.035 2.382 6.371
97 HB3 LYS 11 HB1 LYS 11 12.750 3.556 6.589
98 HG2 LYS 11 HG2 LYS 11 11.320 2.251 5.030
99 HG3 LYS 11 HG1 LYS 11 12.609 1.060 4.876
100 HD2 LYS 11 HD2 LYS 11 12.505 0.607 7.289
101 HD3 LYS 11 HD1 LYS 11 11.229 1.812 7.466
102 HE2 LYS 11 HE2 LYS 11 10.270 -0.453 7.324
103 HE3 LYS 11 HE1 LYS 11 9.791 0.514 5.931
104 HZ1 LYS 11 HZ1 LYS 11 10.789 -1.900 5.682
105 HZ2 LYS 11 HZ2 LYS 11 12.251 -1.038 5.707
106 HZ3 LYS 11 HZ3 LYS 11 11.077 -0.689 4.530
107 H PHE 12 HN PHE 12 11.424 5.137 1.922
108 HA PHE 12 HA PHE 12 10.534 6.703 3.983
109 HB2 PHE 12 HB2 PHE 12 9.216 5.018 5.326
110 HB3 PHE 12 HB1 PHE 12 8.381 5.725 3.957
111 HD1 PHE 12 HD2 PHE 12 10.766 3.471 2.544
112 HD2 PHE 12 HD1 PHE 12 7.052 3.530 4.718
113 HE1 PHE 12 HE2 PHE 12 10.225 1.298 1.644
114 HE2 PHE 12 HE1 PHE 12 6.522 1.297 3.807
115 HZ PHE 12 HZ PHE 12 8.093 0.174 2.262
116 H ILE 13 HN ILE 13 9.152 4.507 -1.508
117 HA ILE 13 HA ILE 13 10.947 5.519 -0.164
118 HB ILE 13 HB ILE 13 9.839 6.939 -1.850
119 HG12 ILE 13 HG12 ILE 13 11.722 7.905 -0.575
120 HG13 ILE 13 HG11 ILE 13 10.546 9.133 -1.003
121 HG21 ILE 13 HG21 ILE 13 7.977 8.274 -1.418
122 HG22 ILE 13 HG22 ILE 13 8.216 8.242 0.325
123 HG23 ILE 13 HG23 ILE 13 7.596 6.817 -0.502
124 HD11 ILE 13 HD11 ILE 13 10.972 9.693 1.195
125 HD12 ILE 13 HD12 ILE 13 11.249 8.030 1.693
126 HD13 ILE 13 HD13 ILE 13 9.603 8.616 1.425
127 H ARG 14 HN ARG 14 7.859 1.598 0.502
128 HA ARG 14 HA ARG 14 7.296 3.418 -1.728
129 HB2 ARG 14 HB2 ARG 14 5.123 2.732 -0.948
130 HB3 ARG 14 HB1 ARG 14 5.582 3.034 0.722
131 HG2 ARG 14 HG2 ARG 14 4.171 4.859 -0.118
132 HG3 ARG 14 HG1 ARG 14 5.784 5.453 0.230
133 HD2 ARG 14 HD2 ARG 14 4.787 4.707 -2.530
134 HD3 ARG 14 HD1 ARG 14 4.840 6.345 -1.896
135 HE ARG 14 HE ARG 14 7.417 5.213 -1.690
136 HH11 ARG 14 HH21 ARG 14 5.089 6.281 -4.017
137 HH12 ARG 14 HH22 ARG 14 6.270 6.703 -5.212
138 HH21 ARG 14 HH11 ARG 14 8.973 5.768 -3.256
139 HH22 ARG 14 HH12 ARG 14 8.466 6.414 -4.782
140 H1 ACE 15 HA2 ACE 15 9.159 -0.439 -0.715
141 H2 ACE 15 HA3 ACE 15 7.934 -1.145 -1.773
142 H3 ACE 15 HA1 ACE 15 7.541 -0.766 -0.098
Start of MODEL 5
1 H1 ACE 0 HA2 ACE 0 4.480 1.513 -4.224
2 H2 ACE 0 HA3 ACE 0 4.076 0.602 -5.678
3 H3 ACE 0 HA1 ACE 0 4.856 2.176 -5.815
4 H GLU 1 HN GLU 1 6.938 2.135 -4.155
5 HA GLU 1 HA GLU 1 8.488 -0.321 -4.798
6 HB2 GLU 1 HB2 GLU 1 9.482 2.526 -5.002
7 HB3 GLU 1 HB1 GLU 1 10.450 1.077 -5.248
8 HG2 GLU 1 HG2 GLU 1 8.981 0.414 -7.114
9 HG3 GLU 1 HG1 GLU 1 8.024 1.875 -6.876
10 H ARG 2 HN ARG 2 9.879 -1.038 -3.293
11 HA ARG 2 HA ARG 2 9.512 -0.277 -0.573
12 HB2 ARG 2 HB2 ARG 2 11.670 -1.963 -1.856
13 HB3 ARG 2 HB1 ARG 2 11.293 -1.914 -0.136
14 HG2 ARG 2 HG2 ARG 2 9.071 -2.824 -0.554
15 HG3 ARG 2 HG1 ARG 2 9.356 -2.783 -2.298
16 HD2 ARG 2 HD2 ARG 2 10.969 -4.380 -0.290
17 HD3 ARG 2 HD1 ARG 2 9.769 -5.042 -1.398
18 HE ARG 2 HE ARG 2 11.680 -3.577 -2.888
19 HH11 ARG 2 HH21 ARG 2 11.319 -6.454 -0.992
20 HH12 ARG 2 HH22 ARG 2 12.589 -7.312 -1.799
21 HH21 ARG 2 HH11 ARG 2 13.348 -4.700 -3.950
22 HH22 ARG 2 HH12 ARG 2 13.739 -6.319 -3.475
23 H PHE 3 HN PHE 3 11.936 0.153 -2.969
24 HA PHE 3 HA PHE 3 14.029 1.124 -2.940
25 HB2 PHE 3 HB2 PHE 3 12.568 3.035 -3.615
26 HB3 PHE 3 HB1 PHE 3 12.390 3.487 -1.916
27 HD1 PHE 3 HD1 PHE 3 15.073 2.659 -4.416
28 HD2 PHE 3 HD2 PHE 3 13.943 4.937 -0.968
29 HE1 PHE 3 HE1 PHE 3 17.288 3.773 -4.429
30 HE2 PHE 3 HE2 PHE 3 16.151 6.082 -0.993
31 HZ PHE 3 HZ PHE 3 17.823 5.493 -2.725
32 H TYR 4 HN TYR 4 14.468 -0.356 -0.892
33 HA TYR 4 HA TYR 4 15.062 1.422 1.413
34 HB2 TYR 4 HB2 TYR 4 15.182 -0.546 2.819
35 HB3 TYR 4 HB1 TYR 4 13.626 -0.471 2.021
36 HD1 TYR 4 HD2 TYR 4 15.662 -1.572 -0.615
37 HD2 TYR 4 HD1 TYR 4 14.145 -2.871 3.190
38 HE1 TYR 4 HE2 TYR 4 16.030 -3.904 -1.256
39 HE2 TYR 4 HE1 TYR 4 14.485 -5.206 2.509
40 HH TYR 4 HH TYR 4 16.120 -6.048 -0.495
41 H GLU 5 HN GLU 5 17.004 2.257 0.491
42 HA GLU 5 HA GLU 5 19.116 1.284 -0.754
43 HB2 GLU 5 HB2 GLU 5 19.050 3.473 0.419
44 HB3 GLU 5 HB1 GLU 5 19.368 2.654 1.942
45 HG2 GLU 5 HG2 GLU 5 21.214 2.616 -0.462
46 HG3 GLU 5 HG1 GLU 5 21.414 3.663 0.941
47 H LYS 6 HN LYS 6 20.386 -0.518 -0.745
48 HA LYS 6 HA LYS 6 20.106 -2.337 1.565
49 HB2 LYS 6 HB2 LYS 6 21.173 -3.020 -1.182
50 HB3 LYS 6 HB1 LYS 6 20.784 -4.119 0.103
51 HG2 LYS 6 HG2 LYS 6 19.003 -4.191 -1.523
52 HG3 LYS 6 HG1 LYS 6 18.406 -3.492 -0.030
53 HD2 LYS 6 HD2 LYS 6 17.503 -2.321 -1.997
54 HD3 LYS 6 HD1 LYS 6 18.477 -1.237 -1.059
55 HE2 LYS 6 HE2 LYS 6 19.395 -2.669 -3.559
56 HE3 LYS 6 HE1 LYS 6 18.839 -1.003 -3.505
57 HZ1 LYS 6 HZ1 LYS 6 20.916 -0.438 -3.079
58 HZ2 LYS 6 HZ2 LYS 6 21.400 -2.058 -2.922
59 HZ3 LYS 6 HZ3 LYS 6 20.797 -1.209 -1.579
60 HAC 4G6 7 HAC 4G6 7 26.091 -1.094 2.646
61 HAB 4G6 7 HAB 4G6 7 25.869 -0.446 4.290
62 HAA 4G6 7 HAA 4G6 7 26.080 -2.197 4.043
63 HAF 4G6 7 HAF 4G6 7 24.016 -0.189 1.745
64 HAD 4G6 7 HAD 4G6 7 23.808 0.676 3.292
65 HAE 4G6 7 HAE 4G6 7 22.496 -0.347 2.651
66 HAL 4G6 7 HAL 4G6 7 23.760 -0.829 5.486
67 HAH 4G6 7 HAH 4G6 7 24.030 -3.587 3.227
68 HAG 4G6 7 HAG 4G6 7 24.535 -2.686 1.778
69 HAI 4G6 7 HAI 4G6 7 21.756 -3.117 2.708
70 HA DPR 8 HA DPR 8 22.153 -3.309 7.083
71 HB2 DPR 8 HB2 DPR 8 23.714 -1.701 7.842
72 HB3 DPR 8 HB1 DPR 8 22.992 -0.415 6.853
73 HG2 DPR 8 HG2 DPR 8 21.945 -1.677 9.345
74 HG3 DPR 8 HG1 DPR 8 21.958 0.032 8.869
75 HD2 DPR 8 HD2 DPR 8 19.773 -1.713 8.551
76 HD3 DPR 8 HD1 DPR 8 19.979 -0.171 7.693
77 H VAL 9 HN VAL 9 18.192 -0.210 4.180
78 HA VAL 9 HA VAL 9 18.147 -1.419 6.890
79 HB VAL 9 HB VAL 9 17.526 -2.635 4.194
80 HG11 VAL 9 HG11 VAL 9 17.667 -3.782 6.997
81 HG12 VAL 9 HG12 VAL 9 18.516 -4.346 5.558
82 HG13 VAL 9 HG13 VAL 9 16.771 -4.561 5.693
83 HG21 VAL 9 HG21 VAL 9 15.255 -2.837 5.239
84 HG22 VAL 9 HG22 VAL 9 15.760 -1.164 5.013
85 HG23 VAL 9 HG23 VAL 9 15.845 -1.902 6.612
86 H GLN 10 HN GLN 10 15.845 2.520 5.932
87 HA GLN 10 HA GLN 10 17.988 1.950 3.978
88 HB2 GLN 10 HB2 GLN 10 18.311 3.467 6.586
89 HB3 GLN 10 HB1 GLN 10 19.616 2.991 5.500
90 HG2 GLN 10 HG2 GLN 10 18.631 4.358 3.702
91 HG3 GLN 10 HG1 GLN 10 17.320 4.837 4.779
92 HE21 GLN 10 HE21 GLN 10 17.677 6.846 5.714
93 HE22 GLN 10 HE22 GLN 10 19.202 7.489 6.093
94 H LYS 11 HN LYS 11 13.849 3.489 2.146
95 HA LYS 11 HA LYS 11 14.047 3.924 5.020
96 HB2 LYS 11 HB2 LYS 11 12.253 2.249 4.551
97 HB3 LYS 11 HB1 LYS 11 13.414 1.303 3.646
98 HG2 LYS 11 HG2 LYS 11 13.217 0.213 5.709
99 HG3 LYS 11 HG1 LYS 11 14.719 1.075 5.824
100 HD2 LYS 11 HD2 LYS 11 12.095 1.905 7.086
101 HD3 LYS 11 HD1 LYS 11 13.425 1.147 7.929
102 HE2 LYS 11 HE2 LYS 11 13.345 3.953 6.796
103 HE3 LYS 11 HE1 LYS 11 13.387 3.474 8.464
104 HZ1 LYS 11 HZ1 LYS 11 15.550 2.223 7.578
105 HZ2 LYS 11 HZ2 LYS 11 15.564 3.776 8.264
106 HZ3 LYS 11 HZ3 LYS 11 15.568 3.590 6.576
107 H PHE 12 HN PHE 12 10.213 6.084 2.064
108 HA PHE 12 HA PHE 12 12.573 4.728 0.932
109 HB2 PHE 12 HB2 PHE 12 12.342 7.448 2.265
110 HB3 PHE 12 HB1 PHE 12 13.785 6.802 1.476
111 HD1 PHE 12 HD1 PHE 12 10.156 7.508 0.831
112 HD2 PHE 12 HD2 PHE 12 14.097 7.156 -0.829
113 HE1 PHE 12 HE1 PHE 12 9.283 8.155 -1.393
114 HE2 PHE 12 HE2 PHE 12 13.214 7.752 -3.053
115 HZ PHE 12 HZ PHE 12 10.805 8.296 -3.335
116 H ILE 13 HN ILE 13 8.576 3.940 -0.988
117 HA ILE 13 HA ILE 13 8.245 5.384 1.525
118 HB ILE 13 HB ILE 13 6.792 3.421 1.811
119 HG12 ILE 13 HG12 ILE 13 7.996 4.237 3.813
120 HG13 ILE 13 HG11 ILE 13 7.729 2.505 3.879
121 HG21 ILE 13 HG21 ILE 13 7.579 1.178 1.632
122 HG22 ILE 13 HG22 ILE 13 9.253 1.703 1.458
123 HG23 ILE 13 HG23 ILE 13 8.094 2.013 0.168
124 HD11 ILE 13 HD11 ILE 13 10.285 4.024 3.619
125 HD12 ILE 13 HD12 ILE 13 10.188 2.458 2.810
126 HD13 ILE 13 HD13 ILE 13 9.926 2.572 4.543
127 H ARG 14 HN ARG 14 4.501 5.398 -1.489
128 HA ARG 14 HA ARG 14 6.766 3.900 -2.502
129 HB2 ARG 14 HB2 ARG 14 6.745 5.931 -3.940
130 HB3 ARG 14 HB1 ARG 14 6.760 6.940 -2.502
131 HG2 ARG 14 HG2 ARG 14 9.002 6.846 -3.368
132 HG3 ARG 14 HG1 ARG 14 8.953 5.918 -1.882
133 HD2 ARG 14 HD2 ARG 14 8.857 3.826 -3.134
134 HD3 ARG 14 HD1 ARG 14 8.794 4.711 -4.648
135 HE ARG 14 HE ARG 14 11.127 4.054 -3.166
136 HH11 ARG 14 HH21 ARG 14 9.664 6.547 -5.075
137 HH12 ARG 14 HH22 ARG 14 11.170 7.285 -5.511
138 HH21 ARG 14 HH11 ARG 14 13.099 5.015 -3.737
139 HH22 ARG 14 HH12 ARG 14 13.114 6.416 -4.756
140 H1 ACE 15 HA2 ACE 15 2.364 3.594 -3.339
141 H2 ACE 15 HA3 ACE 15 2.528 5.212 -4.020
142 H3 ACE 15 HA1 ACE 15 2.514 4.989 -2.272
Start of MODEL 6
1 H1 ACE 0 HA2 ACE 0 2.896 1.469 -4.483
2 H2 ACE 0 HA3 ACE 0 3.953 2.740 -5.096
3 H3 ACE 0 HA1 ACE 0 3.851 2.438 -3.361
4 H GLU 1 HN GLU 1 6.207 2.210 -3.452
5 HA GLU 1 HA GLU 1 6.977 -0.572 -4.011
6 HB2 GLU 1 HB2 GLU 1 9.020 0.143 -5.189
7 HB3 GLU 1 HB1 GLU 1 7.567 0.637 -6.056
8 HG2 GLU 1 HG2 GLU 1 7.745 2.894 -5.069
9 HG3 GLU 1 HG1 GLU 1 9.206 2.405 -4.213
10 H ARG 2 HN ARG 2 8.547 -1.359 -2.678
11 HA ARG 2 HA ARG 2 9.406 0.420 -0.490
12 HB2 ARG 2 HB2 ARG 2 9.767 -1.509 0.914
13 HB3 ARG 2 HB1 ARG 2 8.132 -1.561 0.254
14 HG2 ARG 2 HG2 ARG 2 10.505 -3.233 -0.643
15 HG3 ARG 2 HG1 ARG 2 9.119 -3.793 0.263
16 HD2 ARG 2 HD2 ARG 2 8.852 -4.516 -2.004
17 HD3 ARG 2 HD1 ARG 2 7.688 -3.229 -1.726
18 HE ARG 2 HE ARG 2 10.042 -2.100 -2.786
19 HH11 ARG 2 HH21 ARG 2 7.414 -4.193 -3.613
20 HH12 ARG 2 HH22 ARG 2 7.470 -3.825 -5.305
21 HH21 ARG 2 HH11 ARG 2 10.129 -1.618 -5.007
22 HH22 ARG 2 HH12 ARG 2 9.008 -2.366 -6.094
23 H PHE 3 HN PHE 3 10.894 0.522 -2.989
24 HA PHE 3 HA PHE 3 13.136 -0.834 -3.481
25 HB2 PHE 3 HB2 PHE 3 12.876 1.406 -4.345
26 HB3 PHE 3 HB1 PHE 3 13.013 2.101 -2.749
27 HD1 PHE 3 HD1 PHE 3 14.983 -0.257 -4.935
28 HD2 PHE 3 HD2 PHE 3 15.035 3.074 -2.219
29 HE1 PHE 3 HE1 PHE 3 17.446 -0.066 -5.198
30 HE2 PHE 3 HE2 PHE 3 17.468 3.267 -2.472
31 HZ PHE 3 HZ PHE 3 18.693 1.696 -3.968
32 H TYR 4 HN TYR 4 13.762 -2.284 -1.943
33 HA TYR 4 HA TYR 4 14.375 -1.275 0.755
34 HB2 TYR 4 HB2 TYR 4 12.812 -3.245 0.158
35 HB3 TYR 4 HB1 TYR 4 14.284 -4.149 -0.183
36 HD1 TYR 4 HD1 TYR 4 12.776 -1.919 2.309
37 HD2 TYR 4 HD2 TYR 4 15.328 -5.295 1.643
38 HE1 TYR 4 HE1 TYR 4 12.953 -2.213 4.713
39 HE2 TYR 4 HE2 TYR 4 15.540 -5.607 4.097
40 HH TYR 4 HH TYR 4 15.227 -4.496 6.133
41 H GLU 5 HN GLU 5 16.430 -0.813 1.217
42 HA GLU 5 HA GLU 5 18.525 -2.694 0.367
43 HB2 GLU 5 HB2 GLU 5 18.615 -0.799 -1.220
44 HB3 GLU 5 HB1 GLU 5 18.726 0.322 0.129
45 HG2 GLU 5 HG2 GLU 5 20.951 -0.063 -0.817
46 HG3 GLU 5 HG1 GLU 5 20.877 -0.731 0.805
47 H LYS 6 HN LYS 6 18.028 -3.338 2.603
48 HA LYS 6 HA LYS 6 19.166 -1.517 4.649
49 HB2 LYS 6 HB2 LYS 6 16.839 -2.277 5.037
50 HB3 LYS 6 HB1 LYS 6 17.387 -3.952 4.978
51 HG2 LYS 6 HG2 LYS 6 18.873 -3.531 6.914
52 HG3 LYS 6 HG1 LYS 6 18.317 -1.861 6.966
53 HD2 LYS 6 HD2 LYS 6 16.010 -2.632 7.365
54 HD3 LYS 6 HD1 LYS 6 16.567 -4.306 7.324
55 HE2 LYS 6 HE2 LYS 6 17.509 -2.195 9.287
56 HE3 LYS 6 HE1 LYS 6 16.370 -3.493 9.650
57 HZ1 LYS 6 HZ1 LYS 6 19.211 -3.779 8.843
58 HZ2 LYS 6 HZ2 LYS 6 18.127 -5.080 8.966
59 HZ3 LYS 6 HZ3 LYS 6 18.530 -4.173 10.345
60 HAC 4G6 7 HAC 4G6 7 24.954 -4.141 6.121
61 HAB 4G6 7 HAB 4G6 7 24.134 -5.444 5.226
62 HAA 4G6 7 HAA 4G6 7 25.246 -4.344 4.377
63 HAF 4G6 7 HAF 4G6 7 21.989 -4.005 3.267
64 HAD 4G6 7 HAD 4G6 7 23.711 -4.248 2.885
65 HAE 4G6 7 HAE 4G6 7 23.026 -2.604 2.919
66 HAL 4G6 7 HAL 4G6 7 24.280 -1.604 4.511
67 HAH 4G6 7 HAH 4G6 7 22.357 -3.932 6.734
68 HAG 4G6 7 HAG 4G6 7 21.873 -4.962 5.371
69 HAI 4G6 7 HAI 4G6 7 20.906 -2.172 5.850
70 HA DPR 8 HA DPR 8 24.280 0.096 7.469
71 HB2 DPR 8 HB2 DPR 8 25.906 -0.041 5.750
72 HB3 DPR 8 HB1 DPR 8 24.670 0.056 4.474
73 HG2 DPR 8 HG2 DPR 8 25.628 2.194 6.332
74 HG3 DPR 8 HG1 DPR 8 25.276 2.289 4.596
75 HD2 DPR 8 HD2 DPR 8 23.489 3.008 6.669
76 HD3 DPR 8 HD1 DPR 8 23.045 2.720 4.974
77 H VAL 9 HN VAL 9 19.729 0.957 4.432
78 HA VAL 9 HA VAL 9 21.089 2.921 6.120
79 HB VAL 9 HB VAL 9 18.836 2.821 7.063
80 HG11 VAL 9 HG11 VAL 9 17.721 0.892 7.635
81 HG12 VAL 9 HG12 VAL 9 19.204 -0.005 7.941
82 HG13 VAL 9 HG13 VAL 9 18.667 0.282 6.281
83 HG21 VAL 9 HG21 VAL 9 19.508 2.518 9.330
84 HG22 VAL 9 HG22 VAL 9 20.963 3.026 8.472
85 HG23 VAL 9 HG23 VAL 9 20.730 1.327 8.882
86 H GLN 10 HN GLN 10 17.286 4.316 3.291
87 HA GLN 10 HA GLN 10 18.452 1.644 2.730
88 HB2 GLN 10 HB2 GLN 10 18.759 3.276 0.825
89 HB3 GLN 10 HB1 GLN 10 19.628 4.329 1.934
90 HG2 GLN 10 HG2 GLN 10 20.427 1.501 1.211
91 HG3 GLN 10 HG1 GLN 10 21.171 2.957 0.575
92 HE21 GLN 10 HE21 GLN 10 21.667 0.575 2.797
93 HE22 GLN 10 HE22 GLN 10 22.612 1.419 3.921
94 H LYS 11 HN LYS 11 13.942 2.249 1.594
95 HA LYS 11 HA LYS 11 15.110 4.639 2.626
96 HB2 LYS 11 HB2 LYS 11 13.520 4.176 4.398
97 HB3 LYS 11 HB1 LYS 11 14.139 2.540 4.588
98 HG2 LYS 11 HG2 LYS 11 16.365 3.494 5.151
99 HG3 LYS 11 HG1 LYS 11 15.683 5.108 5.037
100 HD2 LYS 11 HD2 LYS 11 14.833 2.952 6.986
101 HD3 LYS 11 HD1 LYS 11 15.861 4.319 7.379
102 HE2 LYS 11 HE2 LYS 11 13.609 4.792 8.144
103 HE3 LYS 11 HE1 LYS 11 13.966 5.847 6.782
104 HZ1 LYS 11 HZ1 LYS 11 12.330 4.954 5.607
105 HZ2 LYS 11 HZ2 LYS 11 11.807 4.204 7.037
106 HZ3 LYS 11 HZ3 LYS 11 12.818 3.369 5.957
107 H PHE 12 HN PHE 12 10.257 4.385 0.009
108 HA PHE 12 HA PHE 12 11.437 2.195 1.424
109 HB2 PHE 12 HB2 PHE 12 13.249 2.464 -0.283
110 HB3 PHE 12 HB1 PHE 12 11.647 2.066 -0.899
111 HD1 PHE 12 HD1 PHE 12 13.814 5.034 -0.060
112 HD2 PHE 12 HD2 PHE 12 10.836 3.338 -2.636
113 HE1 PHE 12 HE1 PHE 12 13.838 7.074 -1.441
114 HE2 PHE 12 HE2 PHE 12 10.897 5.343 -4.039
115 HZ PHE 12 HZ PHE 12 12.380 7.239 -3.450
116 H ILE 13 HN ILE 13 8.365 3.924 -0.531
117 HA ILE 13 HA ILE 13 8.373 5.649 1.774
118 HB ILE 13 HB ILE 13 7.378 4.082 3.372
119 HG12 ILE 13 HG12 ILE 13 7.701 2.002 2.139
120 HG13 ILE 13 HG11 ILE 13 6.014 2.191 2.584
121 HG21 ILE 13 HG21 ILE 13 5.336 4.673 1.225
122 HG22 ILE 13 HG22 ILE 13 6.013 5.915 2.284
123 HG23 ILE 13 HG23 ILE 13 5.090 4.579 2.966
124 HD11 ILE 13 HD11 ILE 13 5.788 1.542 0.379
125 HD12 ILE 13 HD12 ILE 13 7.288 2.313 -0.116
126 HD13 ILE 13 HD13 ILE 13 5.848 3.287 0.164
127 H ARG 14 HN ARG 14 5.796 7.040 -2.311
128 HA ARG 14 HA ARG 14 6.620 4.221 -2.193
129 HB2 ARG 14 HB2 ARG 14 9.003 4.934 -2.333
130 HB3 ARG 14 HB1 ARG 14 8.089 5.133 -3.816
131 HG2 ARG 14 HG2 ARG 14 9.501 7.069 -3.480
132 HG3 ARG 14 HG1 ARG 14 7.828 7.540 -3.308
133 HD2 ARG 14 HD2 ARG 14 9.318 8.588 -1.638
134 HD3 ARG 14 HD1 ARG 14 8.070 7.639 -0.884
135 HE ARG 14 HE ARG 14 10.377 6.027 -1.272
136 HH11 ARG 14 HH21 ARG 14 9.194 8.725 0.547
137 HH12 ARG 14 HH22 ARG 14 10.229 8.440 1.907
138 HH21 ARG 14 HH11 ARG 14 11.739 5.651 0.504
139 HH22 ARG 14 HH12 ARG 14 11.672 6.699 1.881
140 H1 ACE 15 HA2 ACE 15 3.594 7.261 -3.136
141 H2 ACE 15 HA3 ACE 15 3.042 6.078 -4.323
142 H3 ACE 15 HA1 ACE 15 4.318 7.220 -4.744
Start of MODEL 7
1 H1 ACE 0 HA2 ACE 0 3.913 2.633 -2.785
2 H2 ACE 0 HA3 ACE 0 4.283 2.025 -1.171
3 H3 ACE 0 HA1 ACE 0 3.027 1.254 -2.137
4 H GLU 1 HN GLU 1 6.216 2.343 -3.240
5 HA GLU 1 HA GLU 1 6.753 -0.314 -4.332
6 HB2 GLU 1 HB2 GLU 1 8.417 2.212 -4.449
7 HB3 GLU 1 HB1 GLU 1 8.696 0.745 -5.379
8 HG2 GLU 1 HG2 GLU 1 6.234 2.510 -5.576
9 HG3 GLU 1 HG1 GLU 1 7.560 2.482 -6.728
10 H ARG 2 HN ARG 2 8.095 -1.765 -3.529
11 HA ARG 2 HA ARG 2 9.092 -1.505 -0.897
12 HB2 ARG 2 HB2 ARG 2 9.964 -3.719 -1.122
13 HB3 ARG 2 HB1 ARG 2 8.385 -3.671 -1.880
14 HG2 ARG 2 HG2 ARG 2 11.045 -3.544 -3.291
15 HG3 ARG 2 HG1 ARG 2 9.958 -4.919 -3.236
16 HD2 ARG 2 HD2 ARG 2 8.239 -3.569 -4.438
17 HD3 ARG 2 HD1 ARG 2 9.424 -2.259 -4.569
18 HE ARG 2 HE ARG 2 10.641 -4.568 -5.392
19 HH11 ARG 2 HH21 ARG 2 8.081 -2.453 -6.338
20 HH12 ARG 2 HH22 ARG 2 8.265 -2.749 -8.034
21 HH21 ARG 2 HH11 ARG 2 10.896 -4.971 -7.634
22 HH22 ARG 2 HH12 ARG 2 9.857 -4.173 -8.767
23 H PHE 3 HN PHE 3 10.175 0.161 -3.286
24 HA PHE 3 HA PHE 3 12.864 -0.377 -3.721
25 HB2 PHE 3 HB2 PHE 3 11.560 1.390 -4.860
26 HB3 PHE 3 HB1 PHE 3 11.493 2.307 -3.368
27 HD1 PHE 3 HD2 PHE 3 14.792 0.885 -3.503
28 HD2 PHE 3 HD1 PHE 3 12.341 3.933 -5.288
29 HE1 PHE 3 HE2 PHE 3 16.807 2.141 -4.110
30 HE2 PHE 3 HE1 PHE 3 14.383 5.170 -5.935
31 HZ PHE 3 HZ PHE 3 16.615 4.278 -5.346
32 H TYR 4 HN TYR 4 14.360 -0.796 -2.183
33 HA TYR 4 HA TYR 4 14.799 1.175 -0.073
34 HB2 TYR 4 HB2 TYR 4 14.853 -0.408 1.743
35 HB3 TYR 4 HB1 TYR 4 13.301 -0.604 0.949
36 HD1 TYR 4 HD1 TYR 4 16.796 -1.979 0.859
37 HD2 TYR 4 HD2 TYR 4 12.602 -2.778 0.422
38 HE1 TYR 4 HE1 TYR 4 17.306 -4.359 0.553
39 HE2 TYR 4 HE2 TYR 4 13.105 -5.180 0.121
40 HH TYR 4 HH TYR 4 15.727 -6.422 -0.778
41 H GLU 5 HN GLU 5 16.955 0.896 0.858
42 HA GLU 5 HA GLU 5 18.748 -0.908 -0.636
43 HB2 GLU 5 HB2 GLU 5 19.308 2.047 -0.206
44 HB3 GLU 5 HB1 GLU 5 20.421 0.876 -0.900
45 HG2 GLU 5 HG2 GLU 5 17.727 1.637 -2.048
46 HG3 GLU 5 HG1 GLU 5 19.287 2.181 -2.658
47 H LYS 6 HN LYS 6 19.398 -2.197 1.018
48 HA LYS 6 HA LYS 6 20.664 -0.842 3.270
49 HB2 LYS 6 HB2 LYS 6 19.468 -2.087 4.947
50 HB3 LYS 6 HB1 LYS 6 18.424 -1.044 4.020
51 HG2 LYS 6 HG2 LYS 6 17.341 -3.171 4.528
52 HG3 LYS 6 HG1 LYS 6 17.536 -2.953 2.797
53 HD2 LYS 6 HD2 LYS 6 19.414 -4.515 2.775
54 HD3 LYS 6 HD1 LYS 6 19.367 -4.645 4.536
55 HE2 LYS 6 HE2 LYS 6 17.090 -5.592 4.361
56 HE3 LYS 6 HE1 LYS 6 17.165 -5.444 2.606
57 HZ1 LYS 6 HZ1 LYS 6 19.463 -6.775 3.543
58 HZ2 LYS 6 HZ2 LYS 6 18.256 -7.348 2.494
59 HZ3 LYS 6 HZ3 LYS 6 18.088 -7.541 4.173
60 HAC 4G6 7 HAC 4G6 7 24.748 -5.523 4.887
61 HAB 4G6 7 HAB 4G6 7 25.895 -4.193 5.175
62 HAA 4G6 7 HAA 4G6 7 24.560 -4.482 6.318
63 HAF 4G6 7 HAF 4G6 7 23.776 -3.431 2.325
64 HAD 4G6 7 HAD 4G6 7 25.311 -4.140 2.884
65 HAE 4G6 7 HAE 4G6 7 25.037 -2.385 3.015
66 HAL 4G6 7 HAL 4G6 7 24.288 -1.468 4.764
67 HAH 4G6 7 HAH 4G6 7 22.352 -4.810 5.182
68 HAG 4G6 7 HAG 4G6 7 22.590 -4.844 3.417
69 HAI 4G6 7 HAI 4G6 7 21.270 -2.638 4.951
70 HA DPR 8 HA DPR 8 23.523 -0.746 7.853
71 HB2 DPR 8 HB2 DPR 8 24.991 0.133 6.219
72 HB3 DPR 8 HB1 DPR 8 23.726 0.117 4.968
73 HG2 DPR 8 HG2 DPR 8 24.016 1.926 7.327
74 HG3 DPR 8 HG1 DPR 8 23.551 2.317 5.661
75 HD2 DPR 8 HD2 DPR 8 21.754 1.864 7.795
76 HD3 DPR 8 HD1 DPR 8 21.326 1.857 6.069
77 H VAL 9 HN VAL 9 19.076 0.164 4.868
78 HA VAL 9 HA VAL 9 19.566 1.075 7.573
79 HB VAL 9 HB VAL 9 18.648 -0.992 8.668
80 HG11 VAL 9 HG11 VAL 9 16.446 -0.114 8.884
81 HG12 VAL 9 HG12 VAL 9 16.473 0.572 7.264
82 HG13 VAL 9 HG13 VAL 9 17.460 1.283 8.543
83 HG21 VAL 9 HG21 VAL 9 18.346 -2.527 6.862
84 HG22 VAL 9 HG22 VAL 9 17.392 -1.357 5.956
85 HG23 VAL 9 HG23 VAL 9 16.737 -2.088 7.408
86 H GLN 10 HN GLN 10 15.785 2.939 4.951
87 HA GLN 10 HA GLN 10 17.718 1.260 3.519
88 HB2 GLN 10 HB2 GLN 10 18.312 4.130 4.293
89 HB3 GLN 10 HB1 GLN 10 19.476 2.981 3.639
90 HG2 GLN 10 HG2 GLN 10 18.099 2.804 1.565
91 HG3 GLN 10 HG1 GLN 10 16.992 4.001 2.220
92 HE21 GLN 10 HE21 GLN 10 17.400 6.055 1.436
93 HE22 GLN 10 HE22 GLN 10 18.935 6.655 1.029
94 H LYS 11 HN LYS 11 13.101 2.582 1.271
95 HA LYS 11 HA LYS 11 13.834 3.446 3.967
96 HB2 LYS 11 HB2 LYS 11 12.012 1.820 3.718
97 HB3 LYS 11 HB1 LYS 11 13.071 0.754 2.827
98 HG2 LYS 11 HG2 LYS 11 12.834 0.010 5.155
99 HG3 LYS 11 HG1 LYS 11 14.491 0.431 4.775
100 HD2 LYS 11 HD2 LYS 11 13.833 1.239 7.010
101 HD3 LYS 11 HD1 LYS 11 14.238 2.581 5.960
102 HE2 LYS 11 HE2 LYS 11 12.198 3.020 7.287
103 HE3 LYS 11 HE1 LYS 11 11.828 3.003 5.571
104 HZ1 LYS 11 HZ1 LYS 11 11.575 0.590 7.267
105 HZ2 LYS 11 HZ2 LYS 11 10.894 0.872 5.735
106 HZ3 LYS 11 HZ3 LYS 11 10.306 1.701 7.095
107 H PHE 12 HN PHE 12 11.218 5.982 0.328
108 HA PHE 12 HA PHE 12 13.321 4.147 -0.439
109 HB2 PHE 12 HB2 PHE 12 13.452 6.998 0.585
110 HB3 PHE 12 HB1 PHE 12 14.810 6.100 -0.070
111 HD1 PHE 12 HD2 PHE 12 12.073 5.045 -2.063
112 HD2 PHE 12 HD1 PHE 12 14.563 8.489 -1.332
113 HE1 PHE 12 HE2 PHE 12 11.570 5.903 -4.310
114 HE2 PHE 12 HE1 PHE 12 14.031 9.334 -3.595
115 HZ PHE 12 HZ PHE 12 12.530 8.040 -5.081
116 H ILE 13 HN ILE 13 8.771 3.482 -1.589
117 HA ILE 13 HA ILE 13 9.150 5.321 0.732
118 HB ILE 13 HB ILE 13 8.726 2.326 0.774
119 HG12 ILE 13 HG12 ILE 13 6.653 3.556 0.294
120 HG13 ILE 13 HG11 ILE 13 6.607 2.887 1.922
121 HG21 ILE 13 HG21 ILE 13 10.180 2.854 2.572
122 HG22 ILE 13 HG22 ILE 13 8.570 2.809 3.290
123 HG23 ILE 13 HG23 ILE 13 9.329 4.359 2.924
124 HD11 ILE 13 HD11 ILE 13 7.577 5.271 2.591
125 HD12 ILE 13 HD12 ILE 13 5.853 5.053 2.315
126 HD13 ILE 13 HD13 ILE 13 6.863 5.748 1.053
127 H ARG 14 HN ARG 14 5.898 6.385 -3.613
128 HA ARG 14 HA ARG 14 7.484 4.085 -3.164
129 HB2 ARG 14 HB2 ARG 14 8.294 6.922 -3.820
130 HB3 ARG 14 HB1 ARG 14 9.363 5.519 -3.877
131 HG2 ARG 14 HG2 ARG 14 7.904 4.432 -5.489
132 HG3 ARG 14 HG1 ARG 14 6.786 5.792 -5.430
133 HD2 ARG 14 HD2 ARG 14 8.229 5.988 -7.401
134 HD3 ARG 14 HD1 ARG 14 8.577 7.287 -6.266
135 HE ARG 14 HE ARG 14 10.318 5.139 -5.721
136 HH11 ARG 14 HH21 ARG 14 9.593 7.463 -8.178
137 HH12 ARG 14 HH22 ARG 14 11.222 7.565 -8.760
138 HH21 ARG 14 HH11 ARG 14 12.464 5.267 -6.483
139 HH22 ARG 14 HH12 ARG 14 12.845 6.322 -7.802
140 H1 ACE 15 HA2 ACE 15 3.105 5.321 -1.704
141 H2 ACE 15 HA3 ACE 15 3.318 5.297 -3.455
142 H3 ACE 15 HA1 ACE 15 3.804 6.716 -2.527
Start of MODEL 8
1 H1 ACE 0 HA2 ACE 0 3.300 4.050 -5.559
2 H2 ACE 0 HA3 ACE 0 4.987 3.725 -5.960
3 H3 ACE 0 HA1 ACE 0 4.582 4.542 -4.451
4 H GLU 1 HN GLU 1 6.174 2.312 -4.351
5 HA GLU 1 HA GLU 1 4.530 0.511 -2.779
6 HB2 GLU 1 HB2 GLU 1 5.240 -1.527 -3.916
7 HB3 GLU 1 HB1 GLU 1 4.340 -0.487 -5.001
8 HG2 GLU 1 HG2 GLU 1 7.363 -0.639 -4.925
9 HG3 GLU 1 HG1 GLU 1 6.361 -1.546 -6.045
10 H ARG 2 HN ARG 2 6.616 -1.574 -2.855
11 HA ARG 2 HA ARG 2 8.086 -0.938 -0.613
12 HB2 ARG 2 HB2 ARG 2 9.104 -2.628 -2.899
13 HB3 ARG 2 HB1 ARG 2 9.637 -2.695 -1.223
14 HG2 ARG 2 HG2 ARG 2 7.391 -3.438 -0.539
15 HG3 ARG 2 HG1 ARG 2 6.868 -3.388 -2.228
16 HD2 ARG 2 HD2 ARG 2 9.105 -5.089 -1.094
17 HD3 ARG 2 HD1 ARG 2 7.541 -5.668 -1.672
18 HE ARG 2 HE ARG 2 8.856 -4.157 -3.707
19 HH11 ARG 2 HH21 ARG 2 8.915 -7.186 -2.016
20 HH12 ARG 2 HH22 ARG 2 9.753 -8.033 -3.273
21 HH21 ARG 2 HH11 ARG 2 9.958 -5.269 -5.359
22 HH22 ARG 2 HH12 ARG 2 10.344 -6.947 -5.167
23 H PHE 3 HN PHE 3 10.243 -0.262 -0.303
24 HA PHE 3 HA PHE 3 11.921 0.462 -2.415
25 HB2 PHE 3 HB2 PHE 3 10.414 2.230 -2.925
26 HB3 PHE 3 HB1 PHE 3 10.266 2.710 -1.247
27 HD1 PHE 3 HD1 PHE 3 12.908 2.211 -3.893
28 HD2 PHE 3 HD2 PHE 3 11.589 4.431 -0.476
29 HE1 PHE 3 HE1 PHE 3 14.891 3.695 -4.076
30 HE2 PHE 3 HE2 PHE 3 13.515 5.900 -0.650
31 HZ PHE 3 HZ PHE 3 15.198 5.558 -2.461
32 H TYR 4 HN TYR 4 13.531 -0.485 -1.113
33 HA TYR 4 HA TYR 4 14.709 1.308 0.839
34 HB2 TYR 4 HB2 TYR 4 14.766 -0.265 2.680
35 HB3 TYR 4 HB1 TYR 4 13.089 -0.036 2.206
36 HD1 TYR 4 HD1 TYR 4 16.030 -2.274 1.583
37 HD2 TYR 4 HD2 TYR 4 11.755 -1.908 1.742
38 HE1 TYR 4 HE1 TYR 4 15.828 -4.680 1.147
39 HE2 TYR 4 HE2 TYR 4 11.545 -4.343 1.339
40 HH TYR 4 HH TYR 4 14.338 -6.324 0.518
41 H GLU 5 HN GLU 5 16.855 0.519 1.515
42 HA GLU 5 HA GLU 5 17.997 -1.460 -0.370
43 HB2 GLU 5 HB2 GLU 5 18.708 0.809 -1.056
44 HB3 GLU 5 HB1 GLU 5 19.297 1.107 0.573
45 HG2 GLU 5 HG2 GLU 5 21.156 0.509 -0.907
46 HG3 GLU 5 HG1 GLU 5 20.938 -0.714 0.335
47 H LYS 6 HN LYS 6 18.455 -3.185 0.882
48 HA LYS 6 HA LYS 6 19.505 -2.687 3.603
49 HB2 LYS 6 HB2 LYS 6 17.402 -4.006 3.492
50 HB3 LYS 6 HB1 LYS 6 18.247 -5.207 2.512
51 HG2 LYS 6 HG2 LYS 6 19.873 -5.557 4.350
52 HG3 LYS 6 HG1 LYS 6 19.016 -4.356 5.324
53 HD2 LYS 6 HD2 LYS 6 16.986 -5.738 5.269
54 HD3 LYS 6 HD1 LYS 6 17.811 -6.936 4.270
55 HE2 LYS 6 HE2 LYS 6 17.825 -7.623 6.636
56 HE3 LYS 6 HE1 LYS 6 19.464 -7.298 6.072
57 HZ1 LYS 6 HZ1 LYS 6 18.081 -5.004 7.152
58 HZ2 LYS 6 HZ2 LYS 6 19.670 -5.542 7.420
59 HZ3 LYS 6 HZ3 LYS 6 18.378 -6.233 8.282
60 HAC 4G6 7 HAC 4G6 7 25.794 -2.697 0.915
61 HAB 4G6 7 HAB 4G6 7 25.824 -3.544 2.481
62 HAA 4G6 7 HAA 4G6 7 25.144 -4.348 1.047
63 HAF 4G6 7 HAF 4G6 7 23.658 -2.996 -0.241
64 HAD 4G6 7 HAD 4G6 7 23.191 -1.409 0.422
65 HAE 4G6 7 HAE 4G6 7 22.125 -2.817 0.643
66 HAL 4G6 7 HAL 4G6 7 24.176 -0.745 2.232
67 HAH 4G6 7 HAH 4G6 7 23.575 -4.219 3.517
68 HAG 4G6 7 HAG 4G6 7 22.978 -4.770 1.940
69 HAI 4G6 7 HAI 4G6 7 21.620 -2.600 3.507
70 HA DPR 8 HA DPR 8 24.802 -0.386 5.610
71 HB2 DPR 8 HB2 DPR 8 25.801 0.730 3.785
72 HB3 DPR 8 HB1 DPR 8 24.263 0.825 2.899
73 HG2 DPR 8 HG2 DPR 8 25.177 2.401 5.259
74 HG3 DPR 8 HG1 DPR 8 24.205 2.915 3.868
75 HD2 DPR 8 HD2 DPR 8 23.206 2.097 6.423
76 HD3 DPR 8 HD1 DPR 8 22.245 2.382 4.954
77 H VAL 9 HN VAL 9 20.053 0.925 3.887
78 HA VAL 9 HA VAL 9 20.891 1.339 6.554
79 HB VAL 9 HB VAL 9 18.822 0.233 7.182
80 HG11 VAL 9 HG11 VAL 9 19.679 -2.278 5.828
81 HG12 VAL 9 HG12 VAL 9 18.746 -1.069 4.948
82 HG13 VAL 9 HG13 VAL 9 18.083 -1.814 6.398
83 HG21 VAL 9 HG21 VAL 9 21.094 -1.727 7.509
84 HG22 VAL 9 HG22 VAL 9 19.757 -1.435 8.622
85 HG23 VAL 9 HG23 VAL 9 21.003 -0.207 8.401
86 H GLN 10 HN GLN 10 17.054 4.051 4.903
87 HA GLN 10 HA GLN 10 17.800 1.781 3.130
88 HB2 GLN 10 HB2 GLN 10 19.485 4.221 3.771
89 HB3 GLN 10 HB1 GLN 10 19.924 2.896 2.698
90 HG2 GLN 10 HG2 GLN 10 17.607 4.806 2.258
91 HG3 GLN 10 HG1 GLN 10 19.164 4.906 1.449
92 HE21 GLN 10 HE21 GLN 10 19.128 4.007 -0.598
93 HE22 GLN 10 HE22 GLN 10 18.126 2.728 -1.089
94 H LYS 11 HN LYS 11 13.254 2.877 3.117
95 HA LYS 11 HA LYS 11 14.777 5.103 3.830
96 HB2 LYS 11 HB2 LYS 11 15.693 4.422 6.035
97 HB3 LYS 11 HB1 LYS 11 13.985 4.814 6.111
98 HG2 LYS 11 HG2 LYS 11 13.403 2.428 5.999
99 HG3 LYS 11 HG1 LYS 11 15.102 2.006 5.847
100 HD2 LYS 11 HD2 LYS 11 14.367 1.640 8.145
101 HD3 LYS 11 HD1 LYS 11 15.529 2.957 8.097
102 HE2 LYS 11 HE2 LYS 11 13.707 4.600 8.248
103 HE3 LYS 11 HE1 LYS 11 12.514 3.303 8.208
104 HZ1 LYS 11 HZ1 LYS 11 12.722 3.547 10.431
105 HZ2 LYS 11 HZ2 LYS 11 14.308 4.150 10.343
106 HZ3 LYS 11 HZ3 LYS 11 14.021 2.481 10.203
107 H PHE 12 HN PHE 12 11.166 4.675 1.797
108 HA PHE 12 HA PHE 12 10.139 3.637 4.337
109 HB2 PHE 12 HB2 PHE 12 12.000 1.968 2.643
110 HB3 PHE 12 HB1 PHE 12 11.472 1.588 4.270
111 HD1 PHE 12 HD1 PHE 12 10.129 2.465 0.923
112 HD2 PHE 12 HD2 PHE 12 9.618 0.173 4.513
113 HE1 PHE 12 HE1 PHE 12 8.102 1.394 -0.029
114 HE2 PHE 12 HE2 PHE 12 7.601 -0.907 3.556
115 HZ PHE 12 HZ PHE 12 6.840 -0.294 1.276
116 H ILE 13 HN ILE 13 7.765 3.691 0.016
117 HA ILE 13 HA ILE 13 9.818 5.543 0.363
118 HB ILE 13 HB ILE 13 8.205 7.347 0.420
119 HG12 ILE 13 HG12 ILE 13 8.780 8.344 2.591
120 HG13 ILE 13 HG11 ILE 13 9.298 6.778 3.198
121 HG21 ILE 13 HG21 ILE 13 6.785 7.063 2.837
122 HG22 ILE 13 HG22 ILE 13 6.649 5.488 2.070
123 HG23 ILE 13 HG23 ILE 13 6.115 6.929 1.214
124 HD11 ILE 13 HD11 ILE 13 10.499 7.856 0.653
125 HD12 ILE 13 HD12 ILE 13 11.194 6.733 1.824
126 HD13 ILE 13 HD13 ILE 13 11.073 8.448 2.212
127 H ARG 14 HN ARG 14 8.143 2.862 -2.603
128 HA ARG 14 HA ARG 14 6.114 5.018 -2.739
129 HB2 ARG 14 HB2 ARG 14 5.240 2.832 -1.944
130 HB3 ARG 14 HB1 ARG 14 6.419 2.867 -0.641
131 HG2 ARG 14 HG2 ARG 14 5.445 4.966 0.191
132 HG3 ARG 14 HG1 ARG 14 4.240 4.907 -1.089
133 HD2 ARG 14 HD2 ARG 14 3.339 3.975 1.003
134 HD3 ARG 14 HD1 ARG 14 3.451 2.731 -0.243
135 HE ARG 14 HE ARG 14 5.855 2.714 1.225
136 HH11 ARG 14 HH21 ARG 14 2.468 2.091 1.614
137 HH12 ARG 14 HH22 ARG 14 2.689 0.868 2.821
138 HH21 ARG 14 HH11 ARG 14 6.149 1.111 2.813
139 HH22 ARG 14 HH12 ARG 14 4.773 0.315 3.500
140 H1 ACE 15 HA2 ACE 15 8.544 1.892 -4.779
141 H2 ACE 15 HA3 ACE 15 9.679 3.236 -4.899
142 H3 ACE 15 HA1 ACE 15 8.459 3.002 -6.148
Start of MODEL 9
1 H1 ACE 0 HA2 ACE 0 6.446 0.483 -7.401
2 H2 ACE 0 HA3 ACE 0 8.156 0.759 -7.069
3 H3 ACE 0 HA1 ACE 0 6.997 2.076 -6.884
4 H GLU 1 HN GLU 1 6.126 2.403 -4.914
5 HA GLU 1 HA GLU 1 5.720 2.176 -2.675
6 HB2 GLU 1 HB2 GLU 1 5.391 -0.713 -3.488
7 HB3 GLU 1 HB1 GLU 1 4.827 -0.009 -1.975
8 HG2 GLU 1 HG2 GLU 1 3.397 1.557 -3.242
9 HG3 GLU 1 HG1 GLU 1 3.955 0.838 -4.751
10 H ARG 2 HN ARG 2 7.174 -1.030 -3.100
11 HA ARG 2 HA ARG 2 8.907 -0.622 -0.849
12 HB2 ARG 2 HB2 ARG 2 9.713 -2.897 -1.338
13 HB3 ARG 2 HB1 ARG 2 7.951 -2.824 -1.312
14 HG2 ARG 2 HG2 ARG 2 7.912 -2.673 -3.774
15 HG3 ARG 2 HG1 ARG 2 9.675 -2.741 -3.807
16 HD2 ARG 2 HD2 ARG 2 7.860 -4.894 -2.686
17 HD3 ARG 2 HD1 ARG 2 8.679 -4.962 -4.244
18 HE ARG 2 HE ARG 2 10.615 -4.496 -2.257
19 HH11 ARG 2 HH21 ARG 2 8.362 -6.908 -3.296
20 HH12 ARG 2 HH22 ARG 2 9.308 -8.239 -2.717
21 HH21 ARG 2 HH11 ARG 2 11.861 -6.235 -1.495
22 HH22 ARG 2 HH12 ARG 2 11.289 -7.858 -1.697
23 H PHE 3 HN PHE 3 11.041 -0.311 -0.760
24 HA PHE 3 HA PHE 3 12.953 -0.563 -2.777
25 HB2 PHE 3 HB2 PHE 3 11.834 1.223 -3.985
26 HB3 PHE 3 HB1 PHE 3 11.813 2.231 -2.549
27 HD1 PHE 3 HD1 PHE 3 14.277 0.262 -4.601
28 HD2 PHE 3 HD2 PHE 3 13.505 3.813 -2.312
29 HE1 PHE 3 HE1 PHE 3 16.568 1.083 -5.089
30 HE2 PHE 3 HE2 PHE 3 15.777 4.634 -2.795
31 HZ PHE 3 HZ PHE 3 17.319 3.273 -4.194
32 H TYR 4 HN TYR 4 13.769 -1.389 -0.655
33 HA TYR 4 HA TYR 4 14.947 0.810 0.962
34 HB2 TYR 4 HB2 TYR 4 14.816 -0.609 2.909
35 HB3 TYR 4 HB1 TYR 4 13.213 -0.513 2.189
36 HD1 TYR 4 HD1 TYR 4 16.319 -2.604 2.124
37 HD2 TYR 4 HD2 TYR 4 12.050 -2.497 1.742
38 HE1 TYR 4 HE1 TYR 4 16.307 -5.037 1.916
39 HE2 TYR 4 HE2 TYR 4 12.017 -4.962 1.542
40 HH TYR 4 HH TYR 4 13.235 -6.845 1.718
41 H GLU 5 HN GLU 5 17.032 0.299 1.920
42 HA GLU 5 HA GLU 5 18.518 -1.786 0.399
43 HB2 GLU 5 HB2 GLU 5 19.010 0.437 -0.543
44 HB3 GLU 5 HB1 GLU 5 19.489 1.002 1.054
45 HG2 GLU 5 HG2 GLU 5 21.288 -0.682 1.128
46 HG3 GLU 5 HG1 GLU 5 20.799 -1.277 -0.458
47 H LYS 6 HN LYS 6 18.822 -3.288 1.954
48 HA LYS 6 HA LYS 6 19.997 -2.416 4.531
49 HB2 LYS 6 HB2 LYS 6 18.563 -4.997 3.867
50 HB3 LYS 6 HB1 LYS 6 19.344 -4.642 5.406
51 HG2 LYS 6 HG2 LYS 6 17.843 -2.710 5.729
52 HG3 LYS 6 HG1 LYS 6 17.059 -3.066 4.198
53 HD2 LYS 6 HD2 LYS 6 16.381 -5.280 5.041
54 HD3 LYS 6 HD1 LYS 6 17.173 -4.932 6.579
55 HE2 LYS 6 HE2 LYS 6 14.756 -4.496 6.738
56 HE3 LYS 6 HE1 LYS 6 15.670 -2.996 6.909
57 HZ1 LYS 6 HZ1 LYS 6 14.934 -3.720 4.199
58 HZ2 LYS 6 HZ2 LYS 6 14.908 -2.204 4.967
59 HZ3 LYS 6 HZ3 LYS 6 13.640 -3.306 5.215
60 HAC 4G6 7 HAC 4G6 7 26.274 -2.995 2.872
61 HAB 4G6 7 HAB 4G6 7 25.550 -4.336 1.952
62 HAA 4G6 7 HAA 4G6 7 25.993 -2.824 1.122
63 HAF 4G6 7 HAF 4G6 7 23.457 -1.496 0.703
64 HAD 4G6 7 HAD 4G6 7 22.448 -2.906 1.106
65 HAE 4G6 7 HAE 4G6 7 23.981 -3.129 0.229
66 HAL 4G6 7 HAL 4G6 7 24.604 -0.601 2.418
67 HAH 4G6 7 HAH 4G6 7 24.010 -3.908 4.095
68 HAG 4G6 7 HAG 4G6 7 23.324 -4.623 2.618
69 HAI 4G6 7 HAI 4G6 7 22.039 -2.194 3.784
70 HA DPR 8 HA DPR 8 24.941 0.289 5.601
71 HB2 DPR 8 HB2 DPR 8 25.927 1.022 3.573
72 HB3 DPR 8 HB1 DPR 8 24.359 1.031 2.731
73 HG2 DPR 8 HG2 DPR 8 25.377 2.893 4.834
74 HG3 DPR 8 HG1 DPR 8 24.462 3.257 3.359
75 HD2 DPR 8 HD2 DPR 8 23.347 2.922 5.946
76 HD3 DPR 8 HD1 DPR 8 22.444 2.922 4.419
77 H VAL 9 HN VAL 9 19.756 0.941 3.918
78 HA VAL 9 HA VAL 9 21.049 2.275 6.162
79 HB VAL 9 HB VAL 9 19.083 1.370 7.234
80 HG11 VAL 9 HG11 VAL 9 18.305 -0.807 7.030
81 HG12 VAL 9 HG12 VAL 9 19.886 -1.456 6.615
82 HG13 VAL 9 HG13 VAL 9 18.956 -0.557 5.414
83 HG21 VAL 9 HG21 VAL 9 20.185 0.147 8.987
84 HG22 VAL 9 HG22 VAL 9 21.362 1.293 8.344
85 HG23 VAL 9 HG23 VAL 9 21.445 -0.408 7.886
86 H GLN 10 HN GLN 10 16.557 2.935 4.927
87 HA GLN 10 HA GLN 10 18.164 1.965 2.792
88 HB2 GLN 10 HB2 GLN 10 17.549 4.195 1.865
89 HB3 GLN 10 HB1 GLN 10 18.202 4.965 3.300
90 HG2 GLN 10 HG2 GLN 10 19.841 3.265 1.406
91 HG3 GLN 10 HG1 GLN 10 19.715 5.008 1.286
92 HE21 GLN 10 HE21 GLN 10 19.670 4.687 4.530
93 HE22 GLN 10 HE22 GLN 10 21.336 4.676 4.856
94 H LYS 11 HN LYS 11 13.257 1.827 2.316
95 HA LYS 11 HA LYS 11 14.142 3.882 4.257
96 HB2 LYS 11 HB2 LYS 11 14.425 0.902 4.708
97 HB3 LYS 11 HB1 LYS 11 15.158 2.158 5.701
98 HG2 LYS 11 HG2 LYS 11 12.910 3.039 6.242
99 HG3 LYS 11 HG1 LYS 11 12.184 1.760 5.266
100 HD2 LYS 11 HD2 LYS 11 13.208 0.054 6.714
101 HD3 LYS 11 HD1 LYS 11 13.946 1.323 7.692
102 HE2 LYS 11 HE2 LYS 11 11.875 0.513 8.748
103 HE3 LYS 11 HE1 LYS 11 11.704 2.196 8.250
104 HZ1 LYS 11 HZ1 LYS 11 9.817 0.650 7.663
105 HZ2 LYS 11 HZ2 LYS 11 10.862 -0.058 6.525
106 HZ3 LYS 11 HZ3 LYS 11 10.441 1.583 6.391
107 H PHE 12 HN PHE 12 9.947 4.632 1.989
108 HA PHE 12 HA PHE 12 10.457 1.808 2.595
109 HB2 PHE 12 HB2 PHE 12 12.222 1.725 0.923
110 HB3 PHE 12 HB1 PHE 12 10.624 1.891 0.220
111 HD1 PHE 12 HD1 PHE 12 13.527 4.060 1.350
112 HD2 PHE 12 HD2 PHE 12 10.248 3.550 -1.359
113 HE1 PHE 12 HE1 PHE 12 14.140 6.139 0.233
114 HE2 PHE 12 HE2 PHE 12 10.911 5.626 -2.519
115 HZ PHE 12 HZ PHE 12 12.842 6.936 -1.723
116 H ILE 13 HN ILE 13 7.668 3.867 -0.276
117 HA ILE 13 HA ILE 13 7.695 5.207 2.273
118 HB ILE 13 HB ILE 13 5.839 2.815 1.927
119 HG12 ILE 13 HG12 ILE 13 4.701 4.938 1.275
120 HG13 ILE 13 HG11 ILE 13 4.021 4.240 2.729
121 HG21 ILE 13 HG21 ILE 13 6.830 4.296 4.365
122 HG22 ILE 13 HG22 ILE 13 6.982 2.578 3.997
123 HG23 ILE 13 HG23 ILE 13 5.405 3.257 4.402
124 HD11 ILE 13 HD11 ILE 13 6.077 6.002 3.616
125 HD12 ILE 13 HD12 ILE 13 4.342 6.192 3.783
126 HD13 ILE 13 HD13 ILE 13 5.160 6.867 2.386
127 H ARG 14 HN ARG 14 5.282 7.049 -1.953
128 HA ARG 14 HA ARG 14 6.734 4.501 -2.001
129 HB2 ARG 14 HB2 ARG 14 8.084 7.194 -1.878
130 HB3 ARG 14 HB1 ARG 14 8.875 5.658 -1.574
131 HG2 ARG 14 HG2 ARG 14 7.532 6.400 -4.170
132 HG3 ARG 14 HG1 ARG 14 9.253 6.554 -3.873
133 HD2 ARG 14 HD2 ARG 14 9.349 4.087 -3.448
134 HD3 ARG 14 HD1 ARG 14 7.654 3.974 -3.893
135 HE ARG 14 HE ARG 14 8.999 5.266 -5.975
136 HH11 ARG 14 HH21 ARG 14 8.871 2.223 -4.351
137 HH12 ARG 14 HH22 ARG 14 9.266 1.294 -5.758
138 HH21 ARG 14 HH11 ARG 14 9.511 4.061 -7.836
139 HH22 ARG 14 HH12 ARG 14 9.624 2.336 -7.736
140 H1 ACE 15 HA2 ACE 15 2.974 6.256 -3.537
141 H2 ACE 15 HA3 ACE 15 3.810 6.388 -5.084
142 H3 ACE 15 HA1 ACE 15 4.063 7.611 -3.838
Start of MODEL 10
1 H1 ACE 0 HA2 ACE 0 8.882 1.829 -5.652
2 H2 ACE 0 HA3 ACE 0 7.192 1.488 -6.021
3 H3 ACE 0 HA1 ACE 0 8.284 0.171 -5.593
4 H GLU 1 HN GLU 1 5.789 0.835 -4.294
5 HA GLU 1 HA GLU 1 5.867 2.313 -1.989
6 HB2 GLU 1 HB2 GLU 1 4.217 0.742 -1.070
7 HB3 GLU 1 HB1 GLU 1 3.870 1.133 -2.754
8 HG2 GLU 1 HG2 GLU 1 4.985 -0.963 -3.462
9 HG3 GLU 1 HG1 GLU 1 5.297 -1.357 -1.773
10 H ARG 2 HN ARG 2 7.345 -0.818 -2.585
11 HA ARG 2 HA ARG 2 8.276 -1.011 0.199
12 HB2 ARG 2 HB2 ARG 2 9.018 -3.273 -0.459
13 HB3 ARG 2 HB1 ARG 2 7.298 -3.024 -0.762
14 HG2 ARG 2 HG2 ARG 2 7.754 -2.573 -3.131
15 HG3 ARG 2 HG1 ARG 2 9.486 -2.740 -2.852
16 HD2 ARG 2 HD2 ARG 2 7.436 -4.919 -2.388
17 HD3 ARG 2 HD1 ARG 2 8.507 -4.812 -3.784
18 HE ARG 2 HE ARG 2 10.095 -4.698 -1.471
19 HH11 ARG 2 HH21 ARG 2 7.981 -6.862 -3.158
20 HH12 ARG 2 HH22 ARG 2 8.796 -8.295 -2.625
21 HH21 ARG 2 HH11 ARG 2 11.169 -6.574 -0.772
22 HH22 ARG 2 HH12 ARG 2 10.602 -8.132 -1.274
23 H PHE 3 HN PHE 3 9.451 0.943 -1.833
24 HA PHE 3 HA PHE 3 11.953 -0.038 -2.673
25 HB2 PHE 3 HB2 PHE 3 11.086 2.114 -3.503
26 HB3 PHE 3 HB1 PHE 3 11.249 2.811 -1.888
27 HD1 PHE 3 HD1 PHE 3 13.314 0.854 -4.355
28 HD2 PHE 3 HD2 PHE 3 13.223 3.984 -1.415
29 HE1 PHE 3 HE1 PHE 3 15.720 1.304 -4.750
30 HE2 PHE 3 HE2 PHE 3 15.624 4.439 -1.812
31 HZ PHE 3 HZ PHE 3 16.874 3.099 -3.488
32 H TYR 4 HN TYR 4 13.749 -0.552 -1.597
33 HA TYR 4 HA TYR 4 14.456 0.830 0.863
34 HB2 TYR 4 HB2 TYR 4 14.582 -1.118 2.263
35 HB3 TYR 4 HB1 TYR 4 12.966 -1.119 1.570
36 HD1 TYR 4 HD1 TYR 4 16.400 -2.480 1.019
37 HD2 TYR 4 HD2 TYR 4 12.180 -3.039 0.466
38 HE1 TYR 4 HE1 TYR 4 16.846 -4.700 0.085
39 HE2 TYR 4 HE2 TYR 4 12.613 -5.296 -0.456
40 HH TYR 4 HH TYR 4 15.735 -6.794 -0.285
41 H GLU 5 HN GLU 5 16.689 0.211 1.485
42 HA GLU 5 HA GLU 5 18.191 -1.211 -0.623
43 HB2 GLU 5 HB2 GLU 5 18.275 1.295 -1.061
44 HB3 GLU 5 HB1 GLU 5 19.054 1.472 0.505
45 HG2 GLU 5 HG2 GLU 5 20.098 -0.187 -1.804
46 HG3 GLU 5 HG1 GLU 5 20.722 1.382 -1.309
47 H LYS 6 HN LYS 6 19.005 -2.864 0.550
48 HA LYS 6 HA LYS 6 19.804 -2.360 3.358
49 HB2 LYS 6 HB2 LYS 6 17.957 -4.003 2.842
50 HB3 LYS 6 HB1 LYS 6 19.147 -4.982 2.007
51 HG2 LYS 6 HG2 LYS 6 19.180 -4.275 4.963
52 HG3 LYS 6 HG1 LYS 6 18.713 -5.821 4.283
53 HD2 LYS 6 HD2 LYS 6 21.054 -6.061 3.371
54 HD3 LYS 6 HD1 LYS 6 21.480 -4.595 4.251
55 HE2 LYS 6 HE2 LYS 6 20.355 -7.082 5.528
56 HE3 LYS 6 HE1 LYS 6 22.046 -6.584 5.569
57 HZ1 LYS 6 HZ1 LYS 6 19.712 -5.233 6.784
58 HZ2 LYS 6 HZ2 LYS 6 21.193 -4.435 6.548
59 HZ3 LYS 6 HZ3 LYS 6 21.113 -5.804 7.552
60 HAC 4G6 7 HAC 4G6 7 26.385 -1.402 1.651
61 HAB 4G6 7 HAB 4G6 7 26.188 -2.190 3.236
62 HAA 4G6 7 HAA 4G6 7 26.028 -3.143 1.742
63 HAF 4G6 7 HAF 4G6 7 24.784 -1.809 0.059
64 HAD 4G6 7 HAD 4G6 7 23.456 -0.735 0.565
65 HAE 4G6 7 HAE 4G6 7 23.191 -2.490 0.458
66 HAL 4G6 7 HAL 4G6 7 24.021 0.231 2.396
67 HAH 4G6 7 HAH 4G6 7 24.052 -3.327 3.724
68 HAG 4G6 7 HAG 4G6 7 23.707 -3.912 2.086
69 HAI 4G6 7 HAI 4G6 7 21.890 -2.149 3.684
70 HA DPR 8 HA DPR 8 24.371 0.867 5.742
71 HB2 DPR 8 HB2 DPR 8 25.035 2.123 3.854
72 HB3 DPR 8 HB1 DPR 8 23.519 1.769 2.994
73 HG2 DPR 8 HG2 DPR 8 24.008 3.651 5.248
74 HG3 DPR 8 HG1 DPR 8 22.861 3.776 3.902
75 HD2 DPR 8 HD2 DPR 8 22.331 2.769 6.567
76 HD3 DPR 8 HD1 DPR 8 21.204 2.847 5.197
77 H VAL 9 HN VAL 9 18.935 0.454 4.109
78 HA VAL 9 HA VAL 9 20.125 1.458 6.642
79 HB VAL 9 HB VAL 9 18.359 -0.117 7.156
80 HG11 VAL 9 HG11 VAL 9 18.556 -1.286 4.885
81 HG12 VAL 9 HG12 VAL 9 18.178 -2.279 6.289
82 HG13 VAL 9 HG13 VAL 9 19.811 -2.256 5.651
83 HG21 VAL 9 HG21 VAL 9 20.973 -1.588 7.458
84 HG22 VAL 9 HG22 VAL 9 19.608 -1.558 8.572
85 HG23 VAL 9 HG23 VAL 9 20.615 -0.124 8.375
86 H GLN 10 HN GLN 10 16.003 3.517 4.495
87 HA GLN 10 HA GLN 10 17.841 1.892 2.833
88 HB2 GLN 10 HB2 GLN 10 17.475 4.245 2.172
89 HB3 GLN 10 HB1 GLN 10 17.986 4.773 3.771
90 HG2 GLN 10 HG2 GLN 10 20.210 3.781 3.376
91 HG3 GLN 10 HG1 GLN 10 19.691 3.268 1.778
92 HE21 GLN 10 HE21 GLN 10 21.381 5.698 3.305
93 HE22 GLN 10 HE22 GLN 10 21.141 6.943 2.176
94 H LYS 11 HN LYS 11 13.563 2.698 2.044
95 HA LYS 11 HA LYS 11 13.990 2.734 4.910
96 HB2 LYS 11 HB2 LYS 11 13.086 0.273 3.395
97 HB3 LYS 11 HB1 LYS 11 13.837 0.188 4.977
98 HG2 LYS 11 HG2 LYS 11 11.402 1.894 4.590
99 HG3 LYS 11 HG1 LYS 11 11.206 0.162 4.738
100 HD2 LYS 11 HD2 LYS 11 10.896 1.315 6.902
101 HD3 LYS 11 HD1 LYS 11 12.233 0.190 6.950
102 HE2 LYS 11 HE2 LYS 11 12.685 2.289 8.157
103 HE3 LYS 11 HE1 LYS 11 13.829 2.031 6.859
104 HZ1 LYS 11 HZ1 LYS 11 13.220 4.003 6.053
105 HZ2 LYS 11 HZ2 LYS 11 12.064 4.181 7.285
106 HZ3 LYS 11 HZ3 LYS 11 11.643 3.428 5.821
107 H PHE 12 HN PHE 12 10.294 3.439 0.993
108 HA PHE 12 HA PHE 12 12.507 4.147 1.093
109 HB2 PHE 12 HB2 PHE 12 11.566 6.455 2.817
110 HB3 PHE 12 HB1 PHE 12 13.211 6.160 2.337
111 HD1 PHE 12 HD2 PHE 12 11.448 5.165 -0.538
112 HD2 PHE 12 HD1 PHE 12 12.415 8.695 1.736
113 HE1 PHE 12 HE2 PHE 12 11.221 6.547 -2.563
114 HE2 PHE 12 HE1 PHE 12 12.159 10.064 -0.308
115 HZ PHE 12 HZ PHE 12 11.559 8.992 -2.453
116 H ILE 13 HN ILE 13 8.460 3.399 -0.306
117 HA ILE 13 HA ILE 13 7.327 5.106 1.816
118 HB ILE 13 HB ILE 13 6.754 2.704 1.777
119 HG12 ILE 13 HG12 ILE 13 6.778 3.848 3.967
120 HG13 ILE 13 HG11 ILE 13 7.247 2.164 4.119
121 HG21 ILE 13 HG21 ILE 13 8.367 0.992 2.028
122 HG22 ILE 13 HG22 ILE 13 9.641 2.133 2.450
123 HG23 ILE 13 HG23 ILE 13 9.025 2.072 0.800
124 HD11 ILE 13 HD11 ILE 13 8.870 3.111 5.430
125 HD12 ILE 13 HD12 ILE 13 8.860 4.629 4.546
126 HD13 ILE 13 HD13 ILE 13 9.696 3.229 3.885
127 H ARG 14 HN ARG 14 6.192 6.287 -2.769
128 HA ARG 14 HA ARG 14 7.584 3.724 -2.307
129 HB2 ARG 14 HB2 ARG 14 8.905 6.383 -2.726
130 HB3 ARG 14 HB1 ARG 14 9.708 4.885 -2.230
131 HG2 ARG 14 HG2 ARG 14 8.957 3.777 -4.268
132 HG3 ARG 14 HG1 ARG 14 8.125 5.244 -4.784
133 HD2 ARG 14 HD2 ARG 14 11.106 4.974 -4.301
134 HD3 ARG 14 HD1 ARG 14 10.326 5.066 -5.880
135 HE ARG 14 HE ARG 14 10.948 7.262 -4.183
136 HH11 ARG 14 HH21 ARG 14 8.574 6.044 -6.390
137 HH12 ARG 14 HH22 ARG 14 7.957 7.610 -6.799
138 HH21 ARG 14 HH11 ARG 14 10.145 9.311 -4.719
139 HH22 ARG 14 HH12 ARG 14 8.846 9.457 -5.855
140 H1 ACE 15 HA2 ACE 15 4.380 6.277 -3.971
141 H2 ACE 15 HA3 ACE 15 3.692 4.723 -4.438
142 H3 ACE 15 HA1 ACE 15 4.829 5.542 -5.510