Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3016 | 1d1e RC | 5215 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 25 1HA ACE 25 7.816 12.314 -4.568
2 2H ACE 25 2HA ACE 25 8.772 13.049 -5.851
3 3H ACE 25 3HA ACE 25 9.552 12.007 -4.653
4 H ARG 25 H ARG 25 10.030 10.066 -5.508
5 HA ARG 25 HA ARG 25 8.192 8.883 -7.566
6 1HB ARG 25 2HB ARG 25 10.209 7.698 -8.390
7 2HB ARG 25 1HB ARG 25 10.404 9.433 -8.477
8 1HG ARG 25 2HG ARG 25 11.671 9.213 -6.161
9 2HG ARG 25 1HG ARG 25 11.572 7.482 -6.402
10 1HD ARG 25 2HD ARG 25 13.706 8.242 -7.165
11 2HD ARG 25 1HD ARG 25 12.794 7.750 -8.592
12 HE ARG 25 HE ARG 25 12.108 10.233 -8.737
13 1HH1 ARG 25 1HH2 ARG 25 15.185 9.221 -7.521
14 2HH1 ARG 25 2HH2 ARG 25 15.989 10.678 -7.933
15 1HH2 ARG 25 2HH1 ARG 25 13.085 12.145 -9.271
16 2HH2 ARG 25 1HH1 ARG 25 14.742 12.394 -8.942
17 H HIS 26 H HIS 26 7.694 8.782 -4.932
18 HA HIS 26 HA HIS 26 6.947 7.302 -3.293
19 1HB HIS 26 2HB HIS 26 8.022 5.072 -5.149
20 2HB HIS 26 1HB HIS 26 7.010 4.822 -3.746
21 HD1 HIS 26 HD1 HIS 26 6.817 6.751 -6.989
22 HD2 HIS 26 HD2 HIS 26 4.402 4.868 -4.186
23 HE1 HIS 26 HE1 HIS 26 4.447 6.815 -7.785
24 H TYR 27 H TYR 27 7.955 5.394 -1.910
25 HA TYR 27 HA TYR 27 10.851 5.925 -1.518
26 1HB TYR 27 2HB TYR 27 8.803 5.317 0.654
27 2HB TYR 27 1HB TYR 27 10.376 6.062 0.860
28 HD1 TYR 27 HD1 TYR 27 10.711 8.367 -0.505
29 HD2 TYR 27 HD2 TYR 27 6.922 6.773 0.622
30 HE1 TYR 27 HE1 TYR 27 9.690 10.580 -0.778
31 HE2 TYR 27 HE2 TYR 27 5.919 8.989 0.342
32 HH TYR 27 HH TYR 27 7.528 11.749 0.275
33 H LYS 28 H LYS 28 11.796 3.956 -2.011
34 HA LYS 28 HA LYS 28 10.110 1.572 -2.216
35 1HB LYS 28 2HB LYS 28 12.157 0.480 -3.016
36 2HB LYS 28 1HB LYS 28 11.944 1.989 -3.871
37 1HG LYS 28 2HG LYS 28 13.679 3.068 -2.542
38 2HG LYS 28 1HG LYS 28 13.702 1.741 -1.405
39 1HD LYS 28 2HD LYS 28 14.466 0.230 -3.340
40 2HD LYS 28 1HD LYS 28 14.605 1.680 -4.318
41 1HE LYS 28 2HE LYS 28 16.765 0.898 -3.147
42 2HE LYS 28 1HE LYS 28 16.337 2.589 -2.868
43 1HZ LYS 28 HZ LYS 28 15.387 1.923 -0.701
44 H ASN 29 H ASN 29 11.524 3.122 0.226
45 HA ASN 29 HA ASN 29 12.928 1.620 1.947
46 1HB ASN 29 2HB ASN 29 10.349 3.080 2.706
47 2HB ASN 29 1HB ASN 29 11.629 2.648 3.834
48 1HD2 ASN 29 1HD2 ASN 29 12.895 4.536 4.245
49 2HD2 ASN 29 2HD2 ASN 29 13.293 5.660 3.031
50 H LEU 30 H LEU 30 9.553 1.336 1.534
51 HA LEU 30 HA LEU 30 8.602 -0.583 3.180
52 1HB LEU 30 2HB LEU 30 8.157 -0.546 0.158
53 2HB LEU 30 1HB LEU 30 7.092 -1.313 1.315
54 HG LEU 30 HG LEU 30 7.751 1.690 1.456
55 1HD1 LEU 30 1HD1 LEU 30 5.601 2.074 0.318
56 2HD1 LEU 30 2HD1 LEU 30 5.387 0.344 0.092
57 3HD1 LEU 30 3HD1 LEU 30 6.692 1.186 -0.725
58 1HD2 LEU 30 1HD2 LEU 30 5.711 1.749 2.831
59 2HD2 LEU 30 2HD2 LEU 30 6.825 0.609 3.547
60 3HD2 LEU 30 3HD2 LEU 30 5.458 0.029 2.614
61 H ILE 31 H ILE 31 10.461 -1.283 0.347
62 HA ILE 31 HA ILE 31 10.680 -4.147 1.134
63 HB ILE 31 HB ILE 31 11.550 -2.774 -1.466
64 1HG1 ILE 31 2HG1 ILE 31 9.101 -2.547 -1.244
65 2HG1 ILE 31 1HG1 ILE 31 9.470 -3.709 -2.491
66 1HG2 ILE 31 1HG2 ILE 31 11.567 -5.074 -2.413
67 2HG2 ILE 31 2HG2 ILE 31 11.155 -5.733 -0.839
68 3HG2 ILE 31 3HG2 ILE 31 12.694 -4.933 -1.079
69 1HD1 ILE 31 1HD1 ILE 31 9.008 -5.585 -0.884
70 2HD1 ILE 31 2HD1 ILE 31 7.629 -4.526 -1.050
71 3HD1 ILE 31 3HD1 ILE 31 8.638 -4.419 0.372
72 H GLU 32 H GLU 32 12.459 -1.394 0.304
73 HA GLU 32 HA GLU 32 15.132 -2.159 0.444
74 1HB GLU 32 2HB GLU 32 14.077 0.318 0.329
75 2HB GLU 32 1HB GLU 32 14.397 0.284 2.062
76 1HG GLU 32 2HG GLU 32 16.432 1.194 1.275
77 2HG GLU 32 1HG GLU 32 16.851 -0.514 1.307
78 H ARG 33 H ARG 33 12.926 -1.852 3.114
79 HA ARG 33 HA ARG 33 15.044 -2.558 5.048
80 1HB ARG 33 2HB ARG 33 12.308 -1.327 5.286
81 2HB ARG 33 1HB ARG 33 12.852 -2.296 6.627
82 1HG ARG 33 2HG ARG 33 15.071 -0.751 6.372
83 2HG ARG 33 1HG ARG 33 13.939 0.315 5.562
84 1HD ARG 33 2HD ARG 33 12.459 0.326 7.563
85 2HD ARG 33 1HD ARG 33 13.504 -0.811 8.388
86 HE ARG 33 HE ARG 33 14.276 1.965 7.558
87 1HH1 ARG 33 1HH2 ARG 33 14.652 -0.698 9.807
88 2HH1 ARG 33 2HH2 ARG 33 15.703 0.168 10.831
89 1HH2 ARG 33 2HH1 ARG 33 15.658 3.081 8.911
90 2HH2 ARG 33 1HH1 ARG 33 16.307 2.336 10.308
91 H GLN 34 H GLN 34 12.010 -3.800 3.882
92 HA GLN 34 HA GLN 34 11.899 -6.041 5.693
93 1HB GLN 34 2HB GLN 34 10.759 -5.708 2.880
94 2HB GLN 34 1HB GLN 34 10.597 -7.221 3.751
95 1HG GLN 34 2HG GLN 34 9.674 -5.693 5.732
96 2HG GLN 34 1HG GLN 34 9.408 -4.519 4.451
97 1HE2 GLN 34 1HE2 GLN 34 7.943 -7.136 6.026
98 2HE2 GLN 34 2HE2 GLN 34 6.798 -7.488 4.821
99 H ARG 35 H ARG 35 13.824 -5.440 2.924
100 HA ARG 35 HA ARG 35 14.678 -8.290 2.782
101 1HB ARG 35 2HB ARG 35 14.427 -6.556 0.829
102 2HB ARG 35 1HB ARG 35 16.002 -5.979 1.340
103 1HG ARG 35 2HG ARG 35 16.839 -8.411 1.214
104 2HG ARG 35 1HG ARG 35 15.317 -8.815 0.446
105 1HD ARG 35 2HD ARG 35 15.946 -6.917 -1.282
106 2HD ARG 35 1HD ARG 35 17.527 -7.009 -0.561
107 HE ARG 35 HE ARG 35 17.723 -9.342 -1.176
108 1HH1 ARG 35 1HH2 ARG 35 15.012 -7.665 -2.560
109 2HH1 ARG 35 2HH2 ARG 35 14.784 -8.796 -3.820
110 1HH2 ARG 35 2HH1 ARG 35 17.460 -10.838 -2.817
111 2HH2 ARG 35 1HH1 ARG 35 16.213 -10.653 -3.964
112 H TYR 36 H TYR 36 15.032 -6.306 5.029
113 HA TYR 36 HA TYR 36 17.886 -6.890 5.557
114 1HB TYR 36 2HB TYR 36 17.337 -4.374 4.878
115 2HB TYR 36 1HB TYR 36 16.562 -4.281 6.454
116 HD1 TYR 36 HD1 TYR 36 19.701 -5.437 4.819
117 HD2 TYR 36 HD2 TYR 36 17.977 -3.816 8.363
118 HE1 TYR 36 HE1 TYR 36 21.919 -5.244 5.798
119 HE2 TYR 36 HE2 TYR 36 20.220 -3.623 9.347
120 HH TYR 36 HH TYR 36 23.084 -4.847 7.741
121 1HT TYR 36 1HT TYR 36 18.151 -6.484 8.144
122 2HT TYR 36 2HT TYR 36 16.863 -7.123 9.052
Start of MODEL 2
1 1H ACE 25 1HA ACE 25 2.251 -3.390 -4.366
2 2H ACE 25 2HA ACE 25 1.342 -3.006 -2.901
3 3H ACE 25 3HA ACE 25 2.236 -4.517 -3.004
4 H ARG 25 H ARG 25 4.153 -2.276 -4.465
5 HA ARG 25 HA ARG 25 5.566 -1.649 -1.892
6 1HB ARG 25 2HB ARG 25 7.668 -1.676 -3.290
7 2HB ARG 25 1HB ARG 25 6.899 -3.243 -3.099
8 1HG ARG 25 2HG ARG 25 5.965 -3.144 -5.355
9 2HG ARG 25 1HG ARG 25 6.395 -1.447 -5.524
10 1HD ARG 25 2HD ARG 25 8.776 -1.976 -5.493
11 2HD ARG 25 1HD ARG 25 8.427 -3.652 -5.090
12 HE ARG 25 HE ARG 25 7.518 -2.338 -7.641
13 1HH1 ARG 25 1HH2 ARG 25 8.964 -5.039 -6.010
14 2HH1 ARG 25 2HH2 ARG 25 9.093 -6.003 -7.414
15 1HH2 ARG 25 2HH1 ARG 25 7.675 -3.550 -9.492
16 2HH2 ARG 25 1HH1 ARG 25 8.340 -5.120 -9.441
17 H HIS 26 H HIS 26 3.844 0.111 -2.353
18 HA HIS 26 HA HIS 26 3.824 2.168 -4.067
19 1HB HIS 26 2HB HIS 26 3.924 2.556 -1.039
20 2HB HIS 26 1HB HIS 26 3.224 3.680 -2.192
21 HD1 HIS 26 HD1 HIS 26 1.374 2.293 -3.849
22 HD2 HIS 26 HD2 HIS 26 2.083 0.941 0.023
23 HE1 HIS 26 HE1 HIS 26 -0.524 0.855 -3.124
24 H TYR 27 H TYR 27 6.346 2.058 -1.582
25 HA TYR 27 HA TYR 27 7.857 4.114 -3.106
26 1HB TYR 27 2HB TYR 27 6.852 4.223 -0.396
27 2HB TYR 27 1HB TYR 27 8.583 4.079 -0.256
28 HD1 TYR 27 HD1 TYR 27 6.176 5.877 -2.514
29 HD2 TYR 27 HD2 TYR 27 9.674 6.147 -0.091
30 HE1 TYR 27 HE1 TYR 27 6.366 8.246 -3.046
31 HE2 TYR 27 HE2 TYR 27 9.857 8.519 -0.634
32 HH TYR 27 HH TYR 27 7.364 10.269 -2.206
33 H LYS 28 H LYS 28 10.110 4.005 -1.620
34 HA LYS 28 HA LYS 28 11.328 1.493 -2.598
35 1HB LYS 28 2HB LYS 28 12.467 3.663 -3.051
36 2HB LYS 28 1HB LYS 28 12.623 3.985 -1.340
37 1HG LYS 28 2HG LYS 28 13.909 1.660 -1.291
38 2HG LYS 28 1HG LYS 28 14.012 1.874 -3.028
39 1HD LYS 28 2HD LYS 28 15.118 4.056 -2.716
40 2HD LYS 28 1HD LYS 28 14.992 3.901 -0.975
41 1HE LYS 28 2HE LYS 28 16.677 2.232 -2.877
42 2HE LYS 28 1HE LYS 28 17.216 3.182 -1.499
43 1HZ LYS 28 HZ LYS 28 15.680 0.634 -1.338
44 H ASN 29 H ASN 29 11.920 3.313 0.440
45 HA ASN 29 HA ASN 29 12.947 1.602 2.153
46 1HB ASN 29 2HB ASN 29 10.495 3.317 2.658
47 2HB ASN 29 1HB ASN 29 11.167 2.350 3.961
48 1HD2 ASN 29 1HD2 ASN 29 12.749 3.507 5.163
49 2HD2 ASN 29 2HD2 ASN 29 13.712 4.726 4.473
50 H LEU 30 H LEU 30 9.589 1.360 1.526
51 HA LEU 30 HA LEU 30 8.558 -0.617 3.028
52 1HB LEU 30 2HB LEU 30 8.271 -0.289 0.019
53 2HB LEU 30 1HB LEU 30 7.391 -1.528 0.879
54 HG LEU 30 HG LEU 30 6.375 0.209 2.347
55 1HD1 LEU 30 1HD1 LEU 30 8.031 2.023 2.178
56 2HD1 LEU 30 2HD1 LEU 30 6.486 2.606 1.626
57 3HD1 LEU 30 3HD1 LEU 30 7.719 2.173 0.450
58 1HD2 LEU 30 1HD2 LEU 30 5.178 -0.637 0.390
59 2HD2 LEU 30 2HD2 LEU 30 5.975 0.522 -0.650
60 3HD2 LEU 30 3HD2 LEU 30 4.824 1.072 0.567
61 H ILE 31 H ILE 31 10.590 -1.242 0.297
62 HA ILE 31 HA ILE 31 10.731 -4.129 1.078
63 HB ILE 31 HB ILE 31 11.715 -2.768 -1.482
64 1HG1 ILE 31 2HG1 ILE 31 9.248 -2.678 -1.324
65 2HG1 ILE 31 1HG1 ILE 31 9.763 -3.739 -2.610
66 1HG2 ILE 31 1HG2 ILE 31 11.456 -5.737 -0.815
67 2HG2 ILE 31 2HG2 ILE 31 12.956 -4.857 -1.011
68 3HG2 ILE 31 3HG2 ILE 31 11.896 -5.082 -2.387
69 1HD1 ILE 31 1HD1 ILE 31 9.329 -5.737 -1.142
70 2HD1 ILE 31 2HD1 ILE 31 7.898 -4.747 -1.317
71 3HD1 ILE 31 3HD1 ILE 31 8.830 -4.663 0.157
72 H GLU 32 H GLU 32 12.694 -1.515 0.191
73 HA GLU 32 HA GLU 32 15.284 -2.483 0.538
74 1HB GLU 32 2HB GLU 32 14.541 -0.087 -0.125
75 2HB GLU 32 1HB GLU 32 14.426 0.248 1.586
76 1HG GLU 32 2HG GLU 32 16.789 0.009 1.941
77 2HG GLU 32 1HG GLU 32 17.021 -0.857 0.432
78 H ARG 33 H ARG 33 12.960 -1.870 2.958
79 HA ARG 33 HA ARG 33 14.892 -2.396 5.139
80 1HB ARG 33 2HB ARG 33 13.418 -0.362 5.304
81 2HB ARG 33 1HB ARG 33 12.001 -1.402 5.283
82 1HG ARG 33 2HG ARG 33 12.700 -2.486 7.372
83 2HG ARG 33 1HG ARG 33 14.237 -1.654 7.355
84 1HD ARG 33 2HD ARG 33 13.079 0.513 7.714
85 2HD ARG 33 1HD ARG 33 11.509 -0.293 7.696
86 HE ARG 33 HE ARG 33 12.291 -1.675 9.603
87 1HH1 ARG 33 1HH2 ARG 33 13.883 1.409 9.124
88 2HH1 ARG 33 2HH2 ARG 33 14.417 1.501 10.740
89 1HH2 ARG 33 2HH1 ARG 33 12.955 -1.540 11.657
90 2HH2 ARG 33 1HH1 ARG 33 13.862 -0.200 12.229
91 H GLN 34 H GLN 34 12.286 -3.991 3.526
92 HA GLN 34 HA GLN 34 11.807 -5.890 5.754
93 1HB GLN 34 2HB GLN 34 11.026 -6.145 2.784
94 2HB GLN 34 1HB GLN 34 10.633 -7.334 3.995
95 1HG GLN 34 2HG GLN 34 9.652 -4.740 4.920
96 2HG GLN 34 1HG GLN 34 9.119 -5.043 3.276
97 1HE2 GLN 34 1HE2 GLN 34 8.147 -5.635 6.441
98 2HE2 GLN 34 2HE2 GLN 34 7.145 -6.972 6.107
99 H ARG 35 H ARG 35 13.496 -5.976 2.647
100 HA ARG 35 HA ARG 35 14.866 -8.487 3.561
101 1HB ARG 35 2HB ARG 35 14.912 -7.124 0.873
102 2HB ARG 35 1HB ARG 35 15.584 -8.695 1.249
103 1HG ARG 35 2HG ARG 35 13.115 -9.288 2.076
104 2HG ARG 35 1HG ARG 35 12.619 -7.914 1.124
105 1HD ARG 35 2HD ARG 35 13.996 -10.444 0.108
106 2HD ARG 35 1HD ARG 35 12.355 -9.952 -0.194
107 HE ARG 35 HE ARG 35 13.139 -8.057 -1.518
108 1HH1 ARG 35 1HH2 ARG 35 15.487 -10.513 -0.839
109 2HH1 ARG 35 2HH2 ARG 35 16.498 -10.120 -2.156
110 1HH2 ARG 35 2HH1 ARG 35 14.406 -7.508 -3.245
111 2HH2 ARG 35 1HH1 ARG 35 15.874 -8.340 -3.548
112 H TYR 36 H TYR 36 15.631 -6.841 5.051
113 HA TYR 36 HA TYR 36 18.281 -5.742 4.166
114 1HB TYR 36 2HB TYR 36 16.520 -3.956 4.810
115 2HB TYR 36 1HB TYR 36 16.542 -4.597 6.440
116 HD1 TYR 36 HD1 TYR 36 18.648 -3.096 3.792
117 HD2 TYR 36 HD2 TYR 36 18.375 -3.993 7.944
118 HE1 TYR 36 HE1 TYR 36 20.656 -1.774 4.205
119 HE2 TYR 36 HE2 TYR 36 20.397 -2.658 8.354
120 HH TYR 36 HH TYR 36 22.290 -1.269 5.755
121 1HT TYR 36 1HT TYR 36 19.833 -5.684 6.255
122 2HT TYR 36 2HT TYR 36 19.666 -7.027 7.287
Start of MODEL 3
1 1H ACE 25 1HA ACE 25 8.817 14.194 -7.278
2 2H ACE 25 2HA ACE 25 7.977 13.371 -8.597
3 3H ACE 25 3HA ACE 25 9.399 14.359 -8.944
4 H ARG 25 H ARG 25 9.999 12.809 -6.100
5 HA ARG 25 HA ARG 25 11.276 10.497 -7.503
6 1HB ARG 25 2HB ARG 25 12.924 12.235 -6.653
7 2HB ARG 25 1HB ARG 25 12.269 12.033 -5.040
8 1HG ARG 25 2HG ARG 25 13.132 9.486 -6.395
9 2HG ARG 25 1HG ARG 25 14.425 10.595 -6.037
10 1HD ARG 25 2HD ARG 25 12.412 9.887 -3.882
11 2HD ARG 25 1HD ARG 25 13.732 8.818 -4.216
12 HE ARG 25 HE ARG 25 13.964 11.713 -3.411
13 1HH1 ARG 25 1HH2 ARG 25 15.354 8.535 -3.584
14 2HH1 ARG 25 2HH2 ARG 25 16.742 8.934 -2.664
15 1HH2 ARG 25 2HH1 ARG 25 15.773 12.266 -2.197
16 2HH2 ARG 25 1HH1 ARG 25 16.977 11.101 -1.847
17 H HIS 26 H HIS 26 10.687 8.588 -6.692
18 HA HIS 26 HA HIS 26 8.765 8.551 -4.463
19 1HB HIS 26 2HB HIS 26 8.320 7.355 -6.720
20 2HB HIS 26 1HB HIS 26 9.542 6.188 -6.236
21 HD1 HIS 26 HD1 HIS 26 6.411 7.701 -4.737
22 HD2 HIS 26 HD2 HIS 26 8.562 4.134 -4.793
23 HE1 HIS 26 HE1 HIS 26 5.187 5.986 -3.412
24 H TYR 27 H TYR 27 8.942 6.296 -3.136
25 HA TYR 27 HA TYR 27 11.732 5.941 -2.263
26 1HB TYR 27 2HB TYR 27 10.639 5.766 0.110
27 2HB TYR 27 1HB TYR 27 10.799 7.364 -0.587
28 HD1 TYR 27 HD1 TYR 27 8.786 8.436 -1.692
29 HD2 TYR 27 HD2 TYR 27 8.422 4.847 0.572
30 HE1 TYR 27 HE1 TYR 27 6.365 8.788 -1.510
31 HE2 TYR 27 HE2 TYR 27 6.004 5.219 0.748
32 HH TYR 27 HH TYR 27 4.220 6.603 -0.834
33 H LYS 28 H LYS 28 12.287 3.922 -1.937
34 HA LYS 28 HA LYS 28 10.334 1.747 -2.438
35 1HB LYS 28 2HB LYS 28 12.329 0.413 -2.952
36 2HB LYS 28 1HB LYS 28 12.314 1.870 -3.912
37 1HG LYS 28 2HG LYS 28 13.963 2.893 -2.245
38 2HG LYS 28 1HG LYS 28 13.974 1.367 -1.392
39 1HD LYS 28 2HD LYS 28 14.680 0.315 -3.666
40 2HD LYS 28 1HD LYS 28 14.950 1.962 -4.211
41 1HE LYS 28 2HE LYS 28 17.042 0.913 -3.312
42 2HE LYS 28 1HE LYS 28 16.586 2.322 -2.352
43 1HZ LYS 28 HZ LYS 28 15.849 -0.490 -1.594
44 H ASN 29 H ASN 29 11.834 3.189 0.111
45 HA ASN 29 HA ASN 29 12.828 1.686 2.021
46 1HB ASN 29 2HB ASN 29 11.717 3.934 2.437
47 2HB ASN 29 1HB ASN 29 10.179 3.103 2.594
48 1HD2 ASN 29 1HD2 ASN 29 12.795 4.238 4.396
49 2HD2 ASN 29 2HD2 ASN 29 12.560 3.264 5.762
50 H LEU 30 H LEU 30 9.403 1.438 1.804
51 HA LEU 30 HA LEU 30 8.609 -0.499 3.441
52 1HB LEU 30 2HB LEU 30 7.855 -0.623 0.493
53 2HB LEU 30 1HB LEU 30 6.935 -1.282 1.818
54 HG LEU 30 HG LEU 30 7.100 1.333 2.667
55 1HD1 LEU 30 1HD1 LEU 30 6.733 2.812 0.690
56 2HD1 LEU 30 2HD1 LEU 30 6.966 1.453 -0.388
57 3HD1 LEU 30 3HD1 LEU 30 8.311 2.069 0.535
58 1HD2 LEU 30 1HD2 LEU 30 5.051 0.210 0.711
59 2HD2 LEU 30 2HD2 LEU 30 4.806 1.596 1.761
60 3HD2 LEU 30 3HD2 LEU 30 5.021 0.003 2.453
61 H ILE 31 H ILE 31 10.315 -1.250 0.534
62 HA ILE 31 HA ILE 31 10.411 -4.149 1.247
63 HB ILE 31 HB ILE 31 11.290 -2.791 -1.333
64 1HG1 ILE 31 2HG1 ILE 31 8.860 -2.494 -1.042
65 2HG1 ILE 31 1HG1 ILE 31 9.187 -3.613 -2.341
66 1HG2 ILE 31 1HG2 ILE 31 11.214 -5.098 -2.278
67 2HG2 ILE 31 2HG2 ILE 31 10.814 -5.740 -0.693
68 3HG2 ILE 31 3HG2 ILE 31 12.372 -4.996 -0.964
69 1HD1 ILE 31 1HD1 ILE 31 8.355 -4.421 0.494
70 2HD1 ILE 31 2HD1 ILE 31 8.711 -5.535 -0.813
71 3HD1 ILE 31 3HD1 ILE 31 7.346 -4.453 -0.933
72 H GLU 32 H GLU 32 12.313 -1.471 0.508
73 HA GLU 32 HA GLU 32 14.922 -2.622 0.537
74 1HB GLU 32 2HB GLU 32 14.222 -0.252 -0.111
75 2HB GLU 32 1HB GLU 32 14.222 0.131 1.599
76 1HG GLU 32 2HG GLU 32 16.575 0.087 1.762
77 2HG GLU 32 1HG GLU 32 16.742 -1.140 0.504
78 H ARG 33 H ARG 33 12.796 -1.776 3.135
79 HA ARG 33 HA ARG 33 14.908 -2.441 5.142
80 1HB ARG 33 2HB ARG 33 13.454 -0.321 5.237
81 2HB ARG 33 1HB ARG 33 12.089 -1.338 5.603
82 1HG ARG 33 2HG ARG 33 14.399 -1.987 7.343
83 2HG ARG 33 1HG ARG 33 14.021 -0.285 7.441
84 1HD ARG 33 2HD ARG 33 12.051 -2.581 7.872
85 2HD ARG 33 1HD ARG 33 12.799 -1.626 9.118
86 HE ARG 33 HE ARG 33 11.671 0.382 8.303
87 1HH1 ARG 33 1HH2 ARG 33 10.458 -2.611 7.092
88 2HH1 ARG 33 2HH2 ARG 33 8.894 -2.009 6.740
89 1HH2 ARG 33 2HH1 ARG 33 9.647 1.263 7.839
90 2HH2 ARG 33 1HH1 ARG 33 8.446 0.270 7.153
91 H GLN 34 H GLN 34 12.892 -4.031 3.315
92 HA GLN 34 HA GLN 34 11.779 -5.979 5.262
93 1HB GLN 34 2HB GLN 34 10.397 -5.189 3.225
94 2HB GLN 34 1HB GLN 34 11.575 -5.965 2.180
95 1HG GLN 34 2HG GLN 34 11.076 -8.164 3.116
96 2HG GLN 34 1HG GLN 34 9.957 -7.455 4.273
97 1HE2 GLN 34 1HE2 GLN 34 7.852 -7.870 3.527
98 2HE2 GLN 34 2HE2 GLN 34 7.372 -7.792 1.897
99 H ARG 35 H ARG 35 13.920 -5.750 2.515
100 HA ARG 35 HA ARG 35 15.016 -8.429 2.746
101 1HB ARG 35 2HB ARG 35 14.962 -7.119 0.586
102 2HB ARG 35 1HB ARG 35 16.053 -5.938 1.290
103 1HG ARG 35 2HG ARG 35 17.876 -7.488 1.379
104 2HG ARG 35 1HG ARG 35 16.858 -8.873 1.053
105 1HD ARG 35 2HD ARG 35 17.485 -6.614 -0.944
106 2HD ARG 35 1HD ARG 35 18.188 -8.205 -0.928
107 HE ARG 35 HE ARG 35 16.086 -9.212 -1.503
108 1HH1 ARG 35 1HH2 ARG 35 16.034 -5.767 -1.543
109 2HH1 ARG 35 2HH2 ARG 35 14.688 -5.637 -2.585
110 1HH2 ARG 35 2HH1 ARG 35 14.305 -9.146 -2.817
111 2HH2 ARG 35 1HH1 ARG 35 13.634 -7.655 -3.306
112 H TYR 36 H TYR 36 15.401 -5.704 4.449
113 HA TYR 36 HA TYR 36 17.873 -6.618 5.821
114 1HB TYR 36 2HB TYR 36 17.158 -3.839 4.790
115 2HB TYR 36 1HB TYR 36 18.146 -3.971 6.240
116 HD1 TYR 36 HD1 TYR 36 20.129 -5.687 6.102
117 HD2 TYR 36 HD2 TYR 36 18.300 -3.931 2.682
118 HE1 TYR 36 HE1 TYR 36 22.116 -6.195 4.803
119 HE2 TYR 36 HE2 TYR 36 20.321 -4.445 1.363
120 HH TYR 36 HH TYR 36 23.234 -5.768 2.834
121 1HT TYR 36 1HT TYR 36 15.854 -7.632 6.953
122 2HT TYR 36 2HT TYR 36 15.210 -6.720 8.238
Start of MODEL 4
1 1H ACE 25 1HA ACE 25 -1.309 -0.611 -3.930
2 2H ACE 25 2HA ACE 25 -1.059 0.567 -5.216
3 3H ACE 25 3HA ACE 25 -2.369 0.792 -4.059
4 H ARG 25 H ARG 25 0.128 -0.383 -2.319
5 HA ARG 25 HA ARG 25 1.162 2.343 -1.633
6 1HB ARG 25 2HB ARG 25 1.480 1.385 0.694
7 2HB ARG 25 1HB ARG 25 -0.204 1.483 0.182
8 1HG ARG 25 2HG ARG 25 -0.251 -0.942 -0.303
9 2HG ARG 25 1HG ARG 25 1.477 -1.087 -0.020
10 1HD ARG 25 2HD ARG 25 0.325 -1.870 1.971
11 2HD ARG 25 1HD ARG 25 1.119 -0.373 2.356
12 HE ARG 25 HE ARG 25 -1.010 0.820 2.030
13 1HH1 ARG 25 1HH2 ARG 25 -1.203 -2.611 2.513
14 2HH1 ARG 25 2HH2 ARG 25 -2.814 -2.589 3.066
15 1HH2 ARG 25 2HH1 ARG 25 -3.123 0.903 2.741
16 2HH2 ARG 25 1HH1 ARG 25 -3.935 -0.528 3.194
17 H HIS 26 H HIS 26 2.634 1.664 -3.503
18 HA HIS 26 HA HIS 26 4.849 -0.020 -2.512
19 1HB HIS 26 2HB HIS 26 3.833 -1.005 -4.450
20 2HB HIS 26 1HB HIS 26 3.903 0.514 -5.335
21 HD1 HIS 26 HD1 HIS 26 6.287 1.401 -5.901
22 HD2 HIS 26 HD2 HIS 26 6.113 -2.539 -4.489
23 HE1 HIS 26 HE1 HIS 26 8.461 0.224 -6.424
24 H TYR 27 H TYR 27 6.495 1.039 -1.813
25 HA TYR 27 HA TYR 27 7.539 3.433 -3.232
26 1HB TYR 27 2HB TYR 27 6.614 3.157 -0.494
27 2HB TYR 27 1HB TYR 27 8.331 3.439 -0.409
28 HD1 TYR 27 HD1 TYR 27 8.958 5.343 -2.493
29 HD2 TYR 27 HD2 TYR 27 5.424 5.090 -0.114
30 HE1 TYR 27 HE1 TYR 27 8.542 7.720 -2.845
31 HE2 TYR 27 HE2 TYR 27 5.025 7.477 -0.483
32 HH TYR 27 HH TYR 27 5.755 9.140 -2.485
33 H LYS 28 H LYS 28 9.847 3.551 -1.659
34 HA LYS 28 HA LYS 28 11.336 1.177 -2.672
35 1HB LYS 28 2HB LYS 28 12.226 3.295 -3.408
36 2HB LYS 28 1HB LYS 28 12.115 4.033 -1.831
37 1HG LYS 28 2HG LYS 28 14.438 3.569 -2.315
38 2HG LYS 28 1HG LYS 28 13.922 2.524 -1.018
39 1HD LYS 28 2HD LYS 28 13.710 0.622 -2.656
40 2HD LYS 28 1HD LYS 28 14.172 1.717 -3.957
41 1HE LYS 28 2HE LYS 28 16.144 0.392 -3.069
42 2HE LYS 28 1HE LYS 28 16.378 2.130 -2.862
43 1HZ LYS 28 HZ LYS 28 15.478 1.796 -0.514
44 H ASN 29 H ASN 29 11.712 3.250 0.195
45 HA ASN 29 HA ASN 29 12.986 1.715 1.984
46 1HB ASN 29 2HB ASN 29 10.481 3.370 2.524
47 2HB ASN 29 1HB ASN 29 11.350 2.594 3.836
48 1HD2 ASN 29 1HD2 ASN 29 11.201 5.538 2.271
49 2HD2 ASN 29 2HD2 ASN 29 12.796 6.031 2.581
50 H LEU 30 H LEU 30 9.597 1.350 1.603
51 HA LEU 30 HA LEU 30 8.899 -0.615 3.370
52 1HB LEU 30 2HB LEU 30 8.056 -0.189 0.492
53 2HB LEU 30 1HB LEU 30 7.511 -1.637 1.295
54 HG LEU 30 HG LEU 30 6.553 -0.230 3.138
55 1HD1 LEU 30 1HD1 LEU 30 7.935 1.811 2.872
56 2HD1 LEU 30 2HD1 LEU 30 6.230 2.187 2.744
57 3HD1 LEU 30 3HD1 LEU 30 7.217 2.110 1.297
58 1HD2 LEU 30 1HD2 LEU 30 5.111 -1.015 1.278
59 2HD2 LEU 30 2HD2 LEU 30 5.542 0.382 0.320
60 3HD2 LEU 30 3HD2 LEU 30 4.615 0.576 1.782
61 H ILE 31 H ILE 31 10.484 -1.179 0.356
62 HA ILE 31 HA ILE 31 10.753 -4.071 0.906
63 HB ILE 31 HB ILE 31 11.790 -2.411 -1.459
64 1HG1 ILE 31 2HG1 ILE 31 9.275 -4.155 -1.290
65 2HG1 ILE 31 1HG1 ILE 31 9.234 -2.410 -1.151
66 1HG2 ILE 31 1HG2 ILE 31 12.955 -4.603 -1.165
67 2HG2 ILE 31 2HG2 ILE 31 11.963 -4.618 -2.600
68 3HG2 ILE 31 3HG2 ILE 31 11.406 -5.433 -1.146
69 1HD1 ILE 31 1HD1 ILE 31 10.223 -2.189 -3.431
70 2HD1 ILE 31 2HD1 ILE 31 8.707 -3.055 -3.457
71 3HD1 ILE 31 3HD1 ILE 31 10.212 -3.937 -3.606
72 H GLU 32 H GLU 32 12.610 -1.308 0.438
73 HA GLU 32 HA GLU 32 15.260 -2.168 0.687
74 1HB GLU 32 2HB GLU 32 14.207 0.344 0.588
75 2HB GLU 32 1HB GLU 32 14.590 0.308 2.296
76 1HG GLU 32 2HG GLU 32 16.630 1.141 1.320
77 2HG GLU 32 1HG GLU 32 16.998 -0.577 1.454
78 H ARG 33 H ARG 33 12.930 -1.861 3.179
79 HA ARG 33 HA ARG 33 14.970 -2.543 5.238
80 1HB ARG 33 2HB ARG 33 13.051 -0.674 5.356
81 2HB ARG 33 1HB ARG 33 12.048 -2.019 5.849
82 1HG ARG 33 2HG ARG 33 13.425 -2.443 7.817
83 2HG ARG 33 1HG ARG 33 14.706 -1.386 7.243
84 1HD ARG 33 2HD ARG 33 12.947 0.550 7.388
85 2HD ARG 33 1HD ARG 33 11.915 -0.584 8.195
86 HE ARG 33 HE ARG 33 13.483 -0.767 10.039
87 1HH1 ARG 33 1HH2 ARG 33 14.161 1.804 7.777
88 2HH1 ARG 33 2HH2 ARG 33 15.036 2.739 8.912
89 1HH2 ARG 33 2HH1 ARG 33 14.667 0.414 11.508
90 2HH2 ARG 33 1HH1 ARG 33 15.350 1.917 11.065
91 H GLN 34 H GLN 34 11.969 -3.638 3.919
92 HA GLN 34 HA GLN 34 11.432 -5.969 5.322
93 1HB GLN 34 2HB GLN 34 10.067 -5.010 3.373
94 2HB GLN 34 1HB GLN 34 11.221 -5.740 2.271
95 1HG GLN 34 2HG GLN 34 9.262 -7.218 2.551
96 2HG GLN 34 1HG GLN 34 10.603 -8.001 3.385
97 1HE2 GLN 34 1HE2 GLN 34 10.244 -8.464 5.602
98 2HE2 GLN 34 2HE2 GLN 34 8.988 -7.767 6.503
99 H ARG 35 H ARG 35 13.697 -5.629 2.645
100 HA ARG 35 HA ARG 35 14.632 -8.435 3.058
101 1HB ARG 35 2HB ARG 35 14.845 -6.425 0.852
102 2HB ARG 35 1HB ARG 35 16.181 -7.526 1.028
103 1HG ARG 35 2HG ARG 35 14.342 -9.427 1.023
104 2HG ARG 35 1HG ARG 35 13.249 -8.159 0.501
105 1HD ARG 35 2HD ARG 35 14.195 -9.434 -1.408
106 2HD ARG 35 1HD ARG 35 14.660 -7.737 -1.524
107 HE ARG 35 HE ARG 35 16.801 -8.511 -0.280
108 1HH1 ARG 35 1HH2 ARG 35 15.122 -10.475 -2.571
109 2HH1 ARG 35 2HH2 ARG 35 16.479 -11.426 -2.986
110 1HH2 ARG 35 2HH1 ARG 35 18.601 -9.681 -0.777
111 2HH2 ARG 35 1HH1 ARG 35 18.549 -10.932 -1.945
112 H TYR 36 H TYR 36 15.198 -6.226 4.905
113 HA TYR 36 HA TYR 36 18.180 -6.473 4.980
114 1HB TYR 36 2HB TYR 36 17.335 -4.105 4.384
115 2HB TYR 36 1HB TYR 36 16.562 -4.076 5.955
116 HD1 TYR 36 HD1 TYR 36 18.231 -1.934 5.578
117 HD2 TYR 36 HD2 TYR 36 19.497 -5.859 6.684
118 HE1 TYR 36 HE1 TYR 36 20.275 -1.025 6.582
119 HE2 TYR 36 HE2 TYR 36 21.491 -4.946 7.665
120 HH TYR 36 HH TYR 36 22.807 -3.077 7.888
121 1HT TYR 36 1HT TYR 36 15.295 -5.592 6.963
122 2HT TYR 36 2HT TYR 36 15.772 -6.538 8.291
Start of MODEL 5
1 1H ACE 25 1HA ACE 25 3.668 1.159 -9.782
2 2H ACE 25 2HA ACE 25 4.559 0.204 -8.591
3 3H ACE 25 3HA ACE 25 5.072 1.851 -8.970
4 H ARG 25 H ARG 25 3.463 0.068 -6.710
5 HA ARG 25 HA ARG 25 1.919 2.476 -5.782
6 1HB ARG 25 2HB ARG 25 1.223 -0.474 -5.340
7 2HB ARG 25 1HB ARG 25 0.368 0.873 -4.657
8 1HG ARG 25 2HG ARG 25 -0.988 0.382 -6.502
9 2HG ARG 25 1HG ARG 25 -0.014 1.707 -7.092
10 1HD ARG 25 2HD ARG 25 -0.077 0.046 -8.852
11 2HD ARG 25 1HD ARG 25 1.530 -0.006 -8.197
12 HE ARG 25 HE ARG 25 0.922 -1.958 -6.844
13 1HH1 ARG 25 1HH2 ARG 25 -1.246 -1.153 -9.443
14 2HH1 ARG 25 2HH2 ARG 25 -1.889 -2.725 -9.577
15 1HH2 ARG 25 2HH1 ARG 25 0.097 -4.018 -6.980
16 2HH2 ARG 25 1HH1 ARG 25 -1.109 -4.397 -8.123
17 H HIS 26 H HIS 26 4.690 1.379 -5.274
18 HA HIS 26 HA HIS 26 4.555 1.502 -2.333
19 1HB HIS 26 2HB HIS 26 6.279 -0.388 -4.014
20 2HB HIS 26 1HB HIS 26 6.519 -0.158 -2.293
21 HD1 HIS 26 HD1 HIS 26 5.699 -2.891 -3.542
22 HD2 HIS 26 HD2 HIS 26 3.101 -0.167 -1.766
23 HE1 HIS 26 HE1 HIS 26 3.652 -4.090 -2.766
24 H TYR 27 H TYR 27 6.804 1.802 -1.454
25 HA TYR 27 HA TYR 27 8.402 3.748 -3.031
26 1HB TYR 27 2HB TYR 27 7.108 4.007 -0.359
27 2HB TYR 27 1HB TYR 27 8.727 4.635 -0.441
28 HD1 TYR 27 HD1 TYR 27 5.583 4.798 -2.580
29 HD2 TYR 27 HD2 TYR 27 8.913 6.874 -0.907
30 HE1 TYR 27 HE1 TYR 27 4.783 6.884 -3.558
31 HE2 TYR 27 HE2 TYR 27 8.105 8.949 -1.889
32 HH TYR 27 HH TYR 27 5.670 9.093 -4.232
33 H LYS 28 H LYS 28 10.457 3.304 -2.889
34 HA LYS 28 HA LYS 28 11.837 1.072 -2.563
35 1HB LYS 28 2HB LYS 28 12.979 3.183 -3.065
36 2HB LYS 28 1HB LYS 28 12.803 3.760 -1.426
37 1HG LYS 28 2HG LYS 28 14.199 1.712 -0.709
38 2HG LYS 28 1HG LYS 28 14.522 1.439 -2.413
39 1HD LYS 28 2HD LYS 28 15.470 3.746 -2.549
40 2HD LYS 28 1HD LYS 28 15.166 3.966 -0.836
41 1HE LYS 28 2HE LYS 28 17.146 2.072 -2.159
42 2HE LYS 28 1HE LYS 28 17.450 3.302 -0.936
43 1HZ LYS 28 HZ LYS 28 16.042 1.849 0.609
44 H ASN 29 H ASN 29 11.742 3.136 0.172
45 HA ASN 29 HA ASN 29 12.737 1.817 2.281
46 1HB ASN 29 2HB ASN 29 11.615 4.022 2.475
47 2HB ASN 29 1HB ASN 29 10.037 3.267 2.328
48 1HD2 ASN 29 1HD2 ASN 29 9.070 3.161 4.371
49 2HD2 ASN 29 2HD2 ASN 29 9.925 2.826 5.802
50 H LEU 30 H LEU 30 9.409 1.400 1.530
51 HA LEU 30 HA LEU 30 8.552 -0.528 3.292
52 1HB LEU 30 2HB LEU 30 7.900 -0.157 0.351
53 2HB LEU 30 1HB LEU 30 7.116 -1.407 1.289
54 HG LEU 30 HG LEU 30 6.347 0.285 2.915
55 1HD1 LEU 30 1HD1 LEU 30 7.971 2.096 2.618
56 2HD1 LEU 30 2HD1 LEU 30 6.371 2.706 2.301
57 3HD1 LEU 30 3HD1 LEU 30 7.442 2.342 0.956
58 1HD2 LEU 30 1HD2 LEU 30 4.832 -0.429 1.103
59 2HD2 LEU 30 2HD2 LEU 30 5.482 0.782 0.022
60 3HD2 LEU 30 3HD2 LEU 30 4.565 1.267 1.436
61 H ILE 31 H ILE 31 10.431 -1.091 0.509
62 HA ILE 31 HA ILE 31 10.548 -4.003 1.041
63 HB ILE 31 HB ILE 31 11.510 -2.474 -1.410
64 1HG1 ILE 31 2HG1 ILE 31 8.887 -4.016 -0.997
65 2HG1 ILE 31 1HG1 ILE 31 8.992 -2.273 -0.918
66 1HG2 ILE 31 1HG2 ILE 31 10.905 -5.450 -0.992
67 2HG2 ILE 31 2HG2 ILE 31 12.516 -4.771 -1.125
68 3HG2 ILE 31 3HG2 ILE 31 11.440 -4.727 -2.499
69 1HD1 ILE 31 1HD1 ILE 31 8.222 -2.970 -3.152
70 2HD1 ILE 31 2HD1 ILE 31 9.665 -3.932 -3.383
71 3HD1 ILE 31 3HD1 ILE 31 9.781 -2.185 -3.270
72 H GLU 32 H GLU 32 12.580 -1.354 0.491
73 HA GLU 32 HA GLU 32 15.102 -2.649 0.712
74 1HB GLU 32 2HB GLU 32 14.594 -0.176 0.074
75 2HB GLU 32 1HB GLU 32 14.669 0.160 1.793
76 1HG GLU 32 2HG GLU 32 16.998 0.010 1.822
77 2HG GLU 32 1HG GLU 32 17.019 -1.465 0.870
78 H ARG 33 H ARG 33 12.890 -1.720 3.261
79 HA ARG 33 HA ARG 33 14.955 -2.362 5.288
80 1HB ARG 33 2HB ARG 33 12.143 -1.254 5.446
81 2HB ARG 33 1HB ARG 33 13.121 -1.666 6.822
82 1HG ARG 33 2HG ARG 33 14.945 -0.082 5.748
83 2HG ARG 33 1HG ARG 33 13.643 0.440 4.690
84 1HD ARG 33 2HD ARG 33 13.757 1.983 6.647
85 2HD ARG 33 1HD ARG 33 12.279 1.085 6.621
86 HE ARG 33 HE ARG 33 12.969 -0.260 8.450
87 1HH1 ARG 33 1HH2 ARG 33 15.391 1.939 7.439
88 2HH1 ARG 33 2HH2 ARG 33 16.329 1.843 8.870
89 1HH2 ARG 33 2HH1 ARG 33 14.141 -0.504 10.338
90 2HH2 ARG 33 1HH1 ARG 33 15.587 0.378 10.594
91 H GLN 34 H GLN 34 12.719 -3.896 3.480
92 HA GLN 34 HA GLN 34 11.894 -5.919 5.472
93 1HB GLN 34 2HB GLN 34 10.109 -5.256 4.022
94 2HB GLN 34 1HB GLN 34 11.123 -5.212 2.605
95 1HG GLN 34 2HG GLN 34 10.868 -7.934 3.816
96 2HG GLN 34 1HG GLN 34 9.376 -7.266 3.188
97 1HE2 GLN 34 1HE2 GLN 34 9.098 -8.041 1.045
98 2HE2 GLN 34 2HE2 GLN 34 10.374 -8.204 -0.066
99 H ARG 35 H ARG 35 13.701 -5.608 2.522
100 HA ARG 35 HA ARG 35 14.623 -8.360 2.483
101 1HB ARG 35 2HB ARG 35 14.217 -6.666 0.531
102 2HB ARG 35 1HB ARG 35 15.759 -5.968 0.940
103 1HG ARG 35 2HG ARG 35 15.332 -8.852 0.062
104 2HG ARG 35 1HG ARG 35 15.846 -7.558 -0.992
105 1HD ARG 35 2HD ARG 35 17.751 -7.361 1.006
106 2HD ARG 35 1HD ARG 35 17.369 -9.061 1.086
107 HE ARG 35 HE ARG 35 17.871 -9.310 -1.286
108 1HH1 ARG 35 1HH2 ARG 35 18.966 -6.384 0.217
109 2HH1 ARG 35 2HH2 ARG 35 20.229 -6.079 -0.877
110 1HH2 ARG 35 2HH1 ARG 35 19.476 -8.941 -2.821
111 2HH2 ARG 35 1HH1 ARG 35 20.471 -7.559 -2.689
112 H TYR 36 H TYR 36 15.536 -5.667 4.067
113 HA TYR 36 HA TYR 36 18.220 -6.785 4.817
114 1HB TYR 36 2HB TYR 36 17.264 -3.901 4.595
115 2HB TYR 36 1HB TYR 36 18.691 -4.318 5.520
116 HD1 TYR 36 HD1 TYR 36 20.593 -5.540 4.367
117 HD2 TYR 36 HD2 TYR 36 17.385 -3.820 2.169
118 HE1 TYR 36 HE1 TYR 36 21.939 -5.611 2.321
119 HE2 TYR 36 HE2 TYR 36 18.727 -3.878 0.138
120 HH TYR 36 HH TYR 36 21.956 -4.266 0.080
121 1HT TYR 36 1HT TYR 36 15.368 -5.023 6.169
122 2HT TYR 36 2HT TYR 36 15.634 -5.616 7.730
Start of MODEL 6
1 1H ACE 25 1HA ACE 25 5.445 2.779 -5.150
2 2H ACE 25 2HA ACE 25 4.631 1.223 -5.197
3 3H ACE 25 3HA ACE 25 5.677 1.627 -3.829
4 H ARG 25 H ARG 25 4.486 2.133 -2.078
5 HA ARG 25 HA ARG 25 1.796 3.430 -2.447
6 1HB ARG 25 2HB ARG 25 2.032 1.093 -1.304
7 2HB ARG 25 1HB ARG 25 2.787 1.920 0.038
8 1HG ARG 25 2HG ARG 25 -0.015 2.595 -0.982
9 2HG ARG 25 1HG ARG 25 0.276 1.427 0.283
10 1HD ARG 25 2HD ARG 25 1.380 3.197 1.660
11 2HD ARG 25 1HD ARG 25 1.054 4.379 0.432
12 HE ARG 25 HE ARG 25 -1.016 2.903 2.002
13 1HH1 ARG 25 1HH2 ARG 25 -0.083 5.659 0.111
14 2HH1 ARG 25 2HH2 ARG 25 -1.510 6.541 0.419
15 1HH2 ARG 25 2HH1 ARG 25 -2.911 4.005 2.429
16 2HH2 ARG 25 1HH1 ARG 25 -3.186 5.559 1.781
17 H HIS 26 H HIS 26 4.740 3.419 -0.557
18 HA HIS 26 HA HIS 26 4.335 6.268 0.116
19 1HB HIS 26 2HB HIS 26 5.465 4.019 1.869
20 2HB HIS 26 1HB HIS 26 5.658 5.716 2.267
21 HD1 HIS 26 HD1 HIS 26 4.044 3.701 4.011
22 HD2 HIS 26 HD2 HIS 26 2.431 6.369 1.257
23 HE1 HIS 26 HE1 HIS 26 1.671 4.170 4.623
24 H TYR 27 H TYR 27 7.056 3.973 0.499
25 HA TYR 27 HA TYR 27 8.650 5.560 -1.392
26 1HB TYR 27 2HB TYR 27 8.937 5.563 1.523
27 2HB TYR 27 1HB TYR 27 10.329 4.752 0.850
28 HD1 TYR 27 HD1 TYR 27 11.375 6.063 -1.325
29 HD2 TYR 27 HD2 TYR 27 9.097 7.889 1.801
30 HE1 TYR 27 HE1 TYR 27 12.369 8.225 -1.843
31 HE2 TYR 27 HE2 TYR 27 10.112 10.038 1.260
32 HH TYR 27 HH TYR 27 11.200 11.145 -0.659
33 H LYS 28 H LYS 28 10.733 4.345 -1.629
34 HA LYS 28 HA LYS 28 10.179 1.657 -2.589
35 1HB LYS 28 2HB LYS 28 11.950 3.381 -3.522
36 2HB LYS 28 1HB LYS 28 12.980 2.898 -2.193
37 1HG LYS 28 2HG LYS 28 11.855 0.867 -4.146
38 2HG LYS 28 1HG LYS 28 13.345 1.740 -4.449
39 1HD LYS 28 2HD LYS 28 13.021 0.216 -1.869
40 2HD LYS 28 1HD LYS 28 13.428 -0.607 -3.349
41 1HE LYS 28 2HE LYS 28 15.535 0.400 -3.536
42 2HE LYS 28 1HE LYS 28 15.063 1.838 -2.622
43 1HZ LYS 28 HZ LYS 28 15.056 -0.799 -1.285
44 H ASN 29 H ASN 29 11.977 3.114 -0.035
45 HA ASN 29 HA ASN 29 13.276 1.416 1.458
46 1HB ASN 29 2HB ASN 29 12.162 3.805 2.107
47 2HB ASN 29 1HB ASN 29 11.109 2.765 3.055
48 1HD2 ASN 29 1HD2 ASN 29 14.335 4.015 2.769
49 2HD2 ASN 29 2HD2 ASN 29 14.947 3.299 4.180
50 H LEU 30 H LEU 30 9.834 1.413 1.514
51 HA LEU 30 HA LEU 30 9.033 -0.475 3.308
52 1HB LEU 30 2HB LEU 30 8.196 -0.466 0.362
53 2HB LEU 30 1HB LEU 30 7.315 -1.305 1.620
54 HG LEU 30 HG LEU 30 7.775 1.722 1.581
55 1HD1 LEU 30 1HD1 LEU 30 5.356 1.818 0.983
56 2HD1 LEU 30 2HD1 LEU 30 5.298 0.067 0.898
57 3HD1 LEU 30 3HD1 LEU 30 6.279 0.969 -0.247
58 1HD2 LEU 30 1HD2 LEU 30 7.408 0.736 3.898
59 2HD2 LEU 30 2HD2 LEU 30 5.934 -0.021 3.314
60 3HD2 LEU 30 3HD2 LEU 30 6.058 1.724 3.390
61 H ILE 31 H ILE 31 10.434 -1.281 0.194
62 HA ILE 31 HA ILE 31 10.563 -4.142 0.811
63 HB ILE 31 HB ILE 31 12.018 -2.577 -1.409
64 1HG1 ILE 31 2HG1 ILE 31 9.302 -3.986 -1.483
65 2HG1 ILE 31 1HG1 ILE 31 9.545 -2.256 -1.503
66 1HG2 ILE 31 1HG2 ILE 31 12.920 -4.872 -0.923
67 2HG2 ILE 31 2HG2 ILE 31 12.167 -4.807 -2.507
68 3HG2 ILE 31 3HG2 ILE 31 11.313 -5.546 -1.163
69 1HD1 ILE 31 1HD1 ILE 31 10.551 -4.152 -3.671
70 2HD1 ILE 31 2HD1 ILE 31 10.795 -2.410 -3.643
71 3HD1 ILE 31 3HD1 ILE 31 9.182 -3.071 -3.786
72 H GLU 32 H GLU 32 12.834 -1.727 0.181
73 HA GLU 32 HA GLU 32 15.308 -2.689 0.886
74 1HB GLU 32 2HB GLU 32 14.213 -0.194 0.430
75 2HB GLU 32 1HB GLU 32 14.782 0.036 2.037
76 1HG GLU 32 2HG GLU 32 17.035 0.182 1.334
77 2HG GLU 32 1HG GLU 32 16.877 -1.188 0.225
78 H ARG 33 H ARG 33 12.794 -2.058 3.087
79 HA ARG 33 HA ARG 33 14.488 -2.337 5.482
80 1HB ARG 33 2HB ARG 33 12.507 -0.658 5.032
81 2HB ARG 33 1HB ARG 33 11.473 -2.015 5.392
82 1HG ARG 33 2HG ARG 33 11.799 -1.849 7.650
83 2HG ARG 33 1HG ARG 33 13.539 -1.689 7.474
84 1HD ARG 33 2HD ARG 33 13.237 0.709 6.746
85 2HD ARG 33 1HD ARG 33 11.521 0.548 6.921
86 HE ARG 33 HE ARG 33 11.732 0.316 9.309
87 1HH1 ARG 33 1HH2 ARG 33 14.673 1.111 7.692
88 2HH1 ARG 33 2HH2 ARG 33 15.430 1.791 9.069
89 1HH2 ARG 33 2HH1 ARG 33 12.655 1.154 11.159
90 2HH2 ARG 33 1HH1 ARG 33 14.248 1.774 11.133
91 H GLN 34 H GLN 34 12.051 -4.096 3.788
92 HA GLN 34 HA GLN 34 11.870 -6.246 5.793
93 1HB GLN 34 2HB GLN 34 10.940 -6.151 2.852
94 2HB GLN 34 1HB GLN 34 10.496 -7.394 4.008
95 1HG GLN 34 2HG GLN 34 9.367 -5.745 5.443
96 2HG GLN 34 1HG GLN 34 9.883 -4.418 4.433
97 1HE2 GLN 34 1HE2 GLN 34 8.342 -3.801 2.825
98 2HE2 GLN 34 2HE2 GLN 34 7.073 -4.817 2.316
99 H ARG 35 H ARG 35 13.431 -5.659 2.726
100 HA ARG 35 HA ARG 35 15.075 -8.138 2.955
101 1HB ARG 35 2HB ARG 35 14.730 -6.061 0.771
102 2HB ARG 35 1HB ARG 35 15.954 -7.310 0.704
103 1HG ARG 35 2HG ARG 35 14.179 -9.076 0.824
104 2HG ARG 35 1HG ARG 35 12.947 -7.842 0.918
105 1HD ARG 35 2HD ARG 35 13.220 -8.753 -1.423
106 2HD ARG 35 1HD ARG 35 13.492 -7.026 -1.303
107 HE ARG 35 HE ARG 35 15.749 -9.009 -1.240
108 1HH1 ARG 35 1HH2 ARG 35 14.314 -6.140 -2.607
109 2HH1 ARG 35 2HH2 ARG 35 15.677 -5.743 -3.556
110 1HH2 ARG 35 2HH1 ARG 35 17.531 -8.513 -2.472
111 2HH2 ARG 35 1HH1 ARG 35 17.558 -7.123 -3.467
112 H TYR 36 H TYR 36 15.545 -6.680 4.868
113 HA TYR 36 HA TYR 36 18.094 -5.141 4.381
114 1HB TYR 36 2HB TYR 36 16.009 -3.959 5.454
115 2HB TYR 36 1HB TYR 36 16.379 -4.868 6.902
116 HD1 TYR 36 HD1 TYR 36 19.163 -4.724 7.451
117 HD2 TYR 36 HD2 TYR 36 16.818 -1.821 5.394
118 HE1 TYR 36 HE1 TYR 36 20.791 -3.001 8.017
119 HE2 TYR 36 HE2 TYR 36 18.455 -0.101 5.965
120 HH TYR 36 HH TYR 36 21.486 -0.821 7.496
121 1HT TYR 36 1HT TYR 36 16.476 -7.484 6.606
122 2HT TYR 36 2HT TYR 36 17.946 -8.133 7.166
Start of MODEL 7
1 1H ACE 25 1HA ACE 25 1.363 4.348 -4.599
2 2H ACE 25 2HA ACE 25 2.827 3.823 -3.763
3 3H ACE 25 3HA ACE 25 2.947 4.789 -5.233
4 H ARG 25 H ARG 25 3.295 5.017 -2.029
5 HA ARG 25 HA ARG 25 2.694 7.945 -2.049
6 1HB ARG 25 2HB ARG 25 0.888 6.820 -0.730
7 2HB ARG 25 1HB ARG 25 2.096 6.052 0.292
8 1HG ARG 25 2HG ARG 25 2.977 8.422 0.851
9 2HG ARG 25 1HG ARG 25 1.596 9.047 -0.011
10 1HD ARG 25 2HD ARG 25 0.059 8.175 1.633
11 2HD ARG 25 1HD ARG 25 1.295 7.145 2.332
12 HE ARG 25 HE ARG 25 2.535 9.096 3.067
13 1HH1 ARG 25 1HH2 ARG 25 -0.728 9.731 2.097
14 2HH1 ARG 25 2HH2 ARG 25 -0.858 11.189 2.977
15 1HH2 ARG 25 2HH1 ARG 25 2.442 10.971 4.200
16 2HH2 ARG 25 1HH1 ARG 25 1.022 11.925 4.214
17 H HIS 26 H HIS 26 4.291 5.386 -0.279
18 HA HIS 26 HA HIS 26 6.351 7.252 0.669
19 1HB HIS 26 2HB HIS 26 5.081 5.358 2.074
20 2HB HIS 26 1HB HIS 26 6.237 4.279 1.313
21 HD1 HIS 26 HD1 HIS 26 6.732 4.130 4.017
22 HD2 HIS 26 HD2 HIS 26 8.088 7.470 1.960
23 HE1 HIS 26 HE1 HIS 26 8.562 5.230 5.344
24 H TYR 27 H TYR 27 8.659 5.729 0.720
25 HA TYR 27 HA TYR 27 9.051 5.136 -2.156
26 1HB TYR 27 2HB TYR 27 11.526 5.583 -0.595
27 2HB TYR 27 1HB TYR 27 11.004 6.335 -2.087
28 HD1 TYR 27 HD1 TYR 27 10.811 6.537 1.601
29 HD2 TYR 27 HD2 TYR 27 10.004 8.557 -2.065
30 HE1 TYR 27 HE1 TYR 27 10.413 8.608 2.827
31 HE2 TYR 27 HE2 TYR 27 9.605 10.632 -0.822
32 HH TYR 27 HH TYR 27 9.054 10.774 2.410
33 H LYS 28 H LYS 28 11.052 3.980 -2.357
34 HA LYS 28 HA LYS 28 11.024 1.375 -2.433
35 1HB LYS 28 2HB LYS 28 13.536 1.355 -2.079
36 2HB LYS 28 1HB LYS 28 12.970 2.558 -3.215
37 1HG LYS 28 2HG LYS 28 13.124 4.314 -1.423
38 2HG LYS 28 1HG LYS 28 13.650 3.116 -0.271
39 1HD LYS 28 2HD LYS 28 15.424 2.821 -2.477
40 2HD LYS 28 1HD LYS 28 15.197 4.548 -2.291
41 1HE LYS 28 2HE LYS 28 17.064 3.706 -0.857
42 2HE LYS 28 1HE LYS 28 15.767 4.379 0.128
43 1HZ LYS 28 HZ LYS 28 14.956 2.060 0.494
44 H ASN 29 H ASN 29 11.878 2.985 0.451
45 HA ASN 29 HA ASN 29 12.796 1.418 2.329
46 1HB ASN 29 2HB ASN 29 10.102 2.852 2.722
47 2HB ASN 29 1HB ASN 29 11.245 2.479 4.002
48 1HD2 ASN 29 1HD2 ASN 29 12.336 4.433 4.578
49 2HD2 ASN 29 2HD2 ASN 29 12.804 5.609 3.441
50 H LEU 30 H LEU 30 9.414 1.154 1.718
51 HA LEU 30 HA LEU 30 8.563 -0.917 3.243
52 1HB LEU 30 2HB LEU 30 7.535 0.215 0.987
53 2HB LEU 30 1HB LEU 30 7.979 -1.337 0.319
54 HG LEU 30 HG LEU 30 6.187 -0.845 2.715
55 1HD1 LEU 30 1HD1 LEU 30 4.407 -1.782 1.237
56 2HD1 LEU 30 2HD1 LEU 30 5.561 -1.902 -0.077
57 3HD1 LEU 30 3HD1 LEU 30 5.117 -0.327 0.561
58 1HD2 LEU 30 1HD2 LEU 30 6.925 -3.534 1.440
59 2HD2 LEU 30 2HD2 LEU 30 5.681 -3.314 2.655
60 3HD2 LEU 30 3HD2 LEU 30 7.349 -3.017 3.064
61 H ILE 31 H ILE 31 10.451 -1.398 0.350
62 HA ILE 31 HA ILE 31 10.839 -4.263 1.062
63 HB ILE 31 HB ILE 31 11.670 -2.873 -1.546
64 1HG1 ILE 31 2HG1 ILE 31 9.120 -4.477 -0.980
65 2HG1 ILE 31 1HG1 ILE 31 9.171 -2.735 -1.151
66 1HG2 ILE 31 1HG2 ILE 31 11.236 -5.832 -0.862
67 2HG2 ILE 31 2HG2 ILE 31 12.806 -5.072 -1.026
68 3HG2 ILE 31 3HG2 ILE 31 11.760 -5.217 -2.418
69 1HD1 ILE 31 1HD1 ILE 31 10.025 -2.961 -3.482
70 2HD1 ILE 31 2HD1 ILE 31 8.477 -3.756 -3.280
71 3HD1 ILE 31 3HD1 ILE 31 9.941 -4.712 -3.351
72 H GLU 32 H GLU 32 12.559 -1.469 0.185
73 HA GLU 32 HA GLU 32 15.231 -2.441 0.420
74 1HB GLU 32 2HB GLU 32 14.655 -0.156 -0.428
75 2HB GLU 32 1HB GLU 32 14.261 0.360 1.189
76 1HG GLU 32 2HG GLU 32 16.580 0.181 1.947
77 2HG GLU 32 1HG GLU 32 17.058 -0.730 0.528
78 H ARG 33 H ARG 33 12.951 -1.904 2.786
79 HA ARG 33 HA ARG 33 14.918 -2.125 5.010
80 1HB ARG 33 2HB ARG 33 12.449 -0.621 4.776
81 2HB ARG 33 1HB ARG 33 12.125 -1.895 5.925
82 1HG ARG 33 2HG ARG 33 14.309 -1.151 7.115
83 2HG ARG 33 1HG ARG 33 14.334 0.212 6.018
84 1HD ARG 33 2HD ARG 33 12.152 0.993 6.806
85 2HD ARG 33 1HD ARG 33 11.949 -0.355 7.894
86 HE ARG 33 HE ARG 33 13.636 2.011 8.260
87 1HH1 ARG 33 1HH2 ARG 33 13.168 -1.270 9.067
88 2HH1 ARG 33 2HH2 ARG 33 13.883 -1.213 10.627
89 1HH2 ARG 33 2HH1 ARG 33 14.685 2.215 10.281
90 2HH2 ARG 33 1HH1 ARG 33 14.828 0.862 11.322
91 H GLN 34 H GLN 34 11.905 -3.492 3.949
92 HA GLN 34 HA GLN 34 11.707 -5.705 5.692
93 1HB GLN 34 2HB GLN 34 9.946 -5.092 3.974
94 2HB GLN 34 1HB GLN 34 10.961 -5.768 2.712
95 1HG GLN 34 2HG GLN 34 10.832 -8.012 3.801
96 2HG GLN 34 1HG GLN 34 9.894 -7.331 5.120
97 1HE2 GLN 34 1HE2 GLN 34 7.676 -7.928 4.807
98 2HE2 GLN 34 2HE2 GLN 34 6.939 -7.913 3.281
99 H ARG 35 H ARG 35 13.409 -5.687 2.529
100 HA ARG 35 HA ARG 35 14.537 -8.344 3.123
101 1HB ARG 35 2HB ARG 35 14.783 -6.409 0.805
102 2HB ARG 35 1HB ARG 35 15.990 -7.652 1.022
103 1HG ARG 35 2HG ARG 35 14.009 -9.339 1.153
104 2HG ARG 35 1HG ARG 35 13.001 -8.026 0.580
105 1HD ARG 35 2HD ARG 35 13.777 -9.443 -1.320
106 2HD ARG 35 1HD ARG 35 14.392 -7.823 -1.474
107 HE ARG 35 HE ARG 35 16.553 -8.541 -0.588
108 1HH1 ARG 35 1HH2 ARG 35 14.435 -11.097 -1.585
109 2HH1 ARG 35 2HH2 ARG 35 15.681 -12.239 -1.806
110 1HH2 ARG 35 2HH1 ARG 35 18.202 -9.985 -0.844
111 2HH2 ARG 35 1HH1 ARG 35 17.904 -11.581 -1.380
112 H TYR 36 H TYR 36 15.120 -6.456 4.995
113 HA TYR 36 HA TYR 36 18.097 -6.535 5.018
114 1HB TYR 36 2HB TYR 36 17.194 -4.105 4.478
115 2HB TYR 36 1HB TYR 36 16.497 -4.117 6.086
116 HD1 TYR 36 HD1 TYR 36 18.200 -4.855 8.045
117 HD2 TYR 36 HD2 TYR 36 19.381 -3.278 4.263
118 HE1 TYR 36 HE1 TYR 36 20.359 -4.201 8.985
119 HE2 TYR 36 HE2 TYR 36 21.538 -2.625 5.224
120 HH TYR 36 HH TYR 36 22.815 -3.792 7.887
121 1HT TYR 36 1HT TYR 36 15.186 -5.591 6.901
122 2HT TYR 36 2HT TYR 36 15.513 -6.652 8.193
Start of MODEL 8
1 1H ACE 25 1HA ACE 25 5.111 12.820 -4.974
2 2H ACE 25 2HA ACE 25 6.681 12.317 -5.606
3 3H ACE 25 3HA ACE 25 6.478 12.626 -3.879
4 H ARG 25 H ARG 25 6.745 10.178 -6.044
5 HA ARG 25 HA ARG 25 5.212 8.303 -4.270
6 1HB ARG 25 2HB ARG 25 4.249 8.713 -6.640
7 2HB ARG 25 1HB ARG 25 5.695 7.934 -7.267
8 1HG ARG 25 2HG ARG 25 5.160 5.885 -5.931
9 2HG ARG 25 1HG ARG 25 3.716 6.673 -5.318
10 1HD ARG 25 2HD ARG 25 2.966 6.951 -7.753
11 2HD ARG 25 1HD ARG 25 4.317 5.923 -8.214
12 HE ARG 25 HE ARG 25 2.104 5.129 -6.349
13 1HH1 ARG 25 1HH2 ARG 25 4.373 4.242 -8.809
14 2HH1 ARG 25 2HH2 ARG 25 3.832 2.620 -8.916
15 1HH2 ARG 25 2HH1 ARG 25 1.377 3.039 -6.438
16 2HH2 ARG 25 1HH1 ARG 25 2.095 1.920 -7.506
17 H HIS 26 H HIS 26 7.505 8.599 -3.296
18 HA HIS 26 HA HIS 26 9.254 6.479 -4.390
19 1HB HIS 26 2HB HIS 26 10.169 8.874 -4.665
20 2HB HIS 26 1HB HIS 26 10.274 8.938 -2.912
21 HD1 HIS 26 HD1 HIS 26 11.799 7.230 -5.850
22 HD2 HIS 26 HD2 HIS 26 12.162 7.359 -1.702
23 HE1 HIS 26 HE1 HIS 26 13.907 6.053 -5.172
24 H TYR 27 H TYR 27 8.496 4.836 -2.917
25 HA TYR 27 HA TYR 27 9.202 5.354 -0.037
26 1HB TYR 27 2HB TYR 27 6.825 3.963 -1.232
27 2HB TYR 27 1HB TYR 27 7.344 3.661 0.411
28 HD1 TYR 27 HD1 TYR 27 7.752 5.762 1.902
29 HD2 TYR 27 HD2 TYR 27 5.381 5.891 -1.636
30 HE1 TYR 27 HE1 TYR 27 6.691 7.805 2.698
31 HE2 TYR 27 HE2 TYR 27 4.316 7.952 -0.818
32 HH TYR 27 HH TYR 27 4.722 9.119 2.382
33 H LYS 28 H LYS 28 10.816 4.033 -1.991
34 HA LYS 28 HA LYS 28 11.328 1.477 -2.272
35 1HB LYS 28 2HB LYS 28 13.748 1.883 -1.593
36 2HB LYS 28 1HB LYS 28 13.092 3.009 -2.748
37 1HG LYS 28 2HG LYS 28 12.783 4.709 -0.955
38 2HG LYS 28 1HG LYS 28 13.348 3.575 0.249
39 1HD LYS 28 2HD LYS 28 15.300 3.744 -1.924
40 2HD LYS 28 1HD LYS 28 14.950 5.325 -1.275
41 1HE LYS 28 2HE LYS 28 16.791 4.168 -0.019
42 2HE LYS 28 1HE LYS 28 15.420 4.549 1.023
43 1HZ LYS 28 HZ LYS 28 14.672 2.149 0.648
44 H ASN 29 H ASN 29 11.787 2.897 0.834
45 HA ASN 29 HA ASN 29 12.772 1.101 2.546
46 1HB ASN 29 2HB ASN 29 10.157 2.604 3.102
47 2HB ASN 29 1HB ASN 29 11.267 1.999 4.326
48 1HD2 ASN 29 1HD2 ASN 29 12.633 3.687 5.088
49 2HD2 ASN 29 2HD2 ASN 29 13.163 4.955 4.085
50 H LEU 30 H LEU 30 9.511 0.992 1.483
51 HA LEU 30 HA LEU 30 8.387 -1.088 2.896
52 1HB LEU 30 2HB LEU 30 8.282 -0.731 -0.142
53 2HB LEU 30 1HB LEU 30 7.186 -1.758 0.760
54 HG LEU 30 HG LEU 30 7.464 1.256 1.239
55 1HD1 LEU 30 1HD1 LEU 30 5.336 -0.325 -0.265
56 2HD1 LEU 30 2HD1 LEU 30 6.512 0.758 -0.993
57 3HD1 LEU 30 3HD1 LEU 30 5.272 1.398 0.070
58 1HD2 LEU 30 1HD2 LEU 30 5.373 0.948 2.554
59 2HD2 LEU 30 2HD2 LEU 30 6.625 -0.060 3.232
60 3HD2 LEU 30 3HD2 LEU 30 5.379 -0.771 2.220
61 H ILE 31 H ILE 31 10.490 -1.429 0.193
62 HA ILE 31 HA ILE 31 10.869 -4.319 0.792
63 HB ILE 31 HB ILE 31 11.748 -2.768 -1.701
64 1HG1 ILE 31 2HG1 ILE 31 9.305 -2.607 -1.615
65 2HG1 ILE 31 1HG1 ILE 31 9.730 -3.781 -2.832
66 1HG2 ILE 31 1HG2 ILE 31 12.921 -4.944 -1.331
67 2HG2 ILE 31 2HG2 ILE 31 11.885 -5.004 -2.744
68 3HG2 ILE 31 3HG2 ILE 31 11.375 -5.766 -1.247
69 1HD1 ILE 31 1HD1 ILE 31 8.793 -4.492 -0.009
70 2HD1 ILE 31 2HD1 ILE 31 9.222 -5.656 -1.248
71 3HD1 ILE 31 3HD1 ILE 31 7.845 -4.604 -1.470
72 H GLU 32 H GLU 32 12.630 -1.567 -0.139
73 HA GLU 32 HA GLU 32 15.284 -2.285 0.248
74 1HB GLU 32 2HB GLU 32 14.683 -0.007 -0.496
75 2HB GLU 32 1HB GLU 32 14.090 0.403 1.093
76 1HG GLU 32 2HG GLU 32 16.381 0.143 2.079
77 2HG GLU 32 1HG GLU 32 17.014 -0.393 0.538
78 H ARG 33 H ARG 33 13.022 -1.733 2.747
79 HA ARG 33 HA ARG 33 15.151 -2.010 4.824
80 1HB ARG 33 2HB ARG 33 13.201 -0.200 4.914
81 2HB ARG 33 1HB ARG 33 12.160 -1.529 5.343
82 1HG ARG 33 2HG ARG 33 12.857 -0.498 7.404
83 2HG ARG 33 1HG ARG 33 13.675 -2.041 7.311
84 1HD ARG 33 2HD ARG 33 15.746 -0.966 6.540
85 2HD ARG 33 1HD ARG 33 14.957 0.576 6.390
86 HE ARG 33 HE ARG 33 15.436 -0.919 8.954
87 1HH1 ARG 33 1HH2 ARG 33 15.002 2.055 7.294
88 2HH1 ARG 33 2HH2 ARG 33 15.348 3.055 8.640
89 1HH2 ARG 33 2HH1 ARG 33 15.894 0.309 10.782
90 2HH2 ARG 33 1HH1 ARG 33 15.851 2.014 10.688
91 H GLN 34 H GLN 34 11.964 -3.211 4.241
92 HA GLN 34 HA GLN 34 11.694 -5.440 5.802
93 1HB GLN 34 2HB GLN 34 10.017 -4.802 4.104
94 2HB GLN 34 1HB GLN 34 11.069 -5.296 2.799
95 1HG GLN 34 2HG GLN 34 10.965 -7.683 3.746
96 2HG GLN 34 1HG GLN 34 9.756 -7.109 4.885
97 1HE2 GLN 34 1HE2 GLN 34 7.596 -7.269 4.087
98 2HE2 GLN 34 2HE2 GLN 34 7.221 -7.399 2.435
99 H ARG 35 H ARG 35 13.239 -5.473 2.734
100 HA ARG 35 HA ARG 35 14.199 -7.968 2.348
101 1HB ARG 35 2HB ARG 35 14.614 -5.749 0.966
102 2HB ARG 35 1HB ARG 35 16.065 -5.602 1.936
103 1HG ARG 35 2HG ARG 35 16.765 -7.901 1.123
104 2HG ARG 35 1HG ARG 35 15.350 -7.930 0.092
105 1HD ARG 35 2HD ARG 35 16.150 -5.806 -0.984
106 2HD ARG 35 1HD ARG 35 17.657 -5.913 -0.061
107 HE ARG 35 HE ARG 35 17.750 -8.310 -1.088
108 1HH1 ARG 35 1HH2 ARG 35 16.679 -5.469 -2.735
109 2HH1 ARG 35 2HH2 ARG 35 17.075 -6.041 -4.301
110 1HH2 ARG 35 2HH1 ARG 35 18.302 -9.099 -3.065
111 2HH2 ARG 35 1HH1 ARG 35 18.055 -8.179 -4.484
112 H TYR 36 H TYR 36 15.313 -6.021 4.766
113 HA TYR 36 HA TYR 36 17.823 -7.488 5.258
114 1HB TYR 36 2HB TYR 36 17.450 -5.009 5.864
115 2HB TYR 36 1HB TYR 36 16.358 -5.571 7.131
116 HD1 TYR 36 HD1 TYR 36 19.859 -5.926 5.892
117 HD2 TYR 36 HD2 TYR 36 17.222 -6.318 9.207
118 HE1 TYR 36 HE1 TYR 36 21.777 -6.368 7.369
119 HE2 TYR 36 HE2 TYR 36 19.128 -6.751 10.674
120 HH TYR 36 HH TYR 36 21.626 -7.768 10.167
121 1HT TYR 36 1HT TYR 36 16.260 -9.493 5.133
122 2HT TYR 36 2HT TYR 36 15.743 -10.101 6.645
Start of MODEL 9
1 1H ACE 25 1HA ACE 25 11.330 12.104 -10.910
2 2H ACE 25 2HA ACE 25 10.769 12.764 -9.366
3 3H ACE 25 3HA ACE 25 9.692 11.755 -10.345
4 H ARG 25 H ARG 25 11.867 11.764 -7.810
5 HA ARG 25 HA ARG 25 12.134 8.791 -8.014
6 1HB ARG 25 2HB ARG 25 13.981 10.817 -6.657
7 2HB ARG 25 1HB ARG 25 14.164 9.069 -6.564
8 1HG ARG 25 2HG ARG 25 14.470 8.855 -8.947
9 2HG ARG 25 1HG ARG 25 14.071 10.538 -9.245
10 1HD ARG 25 2HD ARG 25 16.190 11.143 -7.812
11 2HD ARG 25 1HD ARG 25 16.509 9.427 -7.786
12 HE ARG 25 HE ARG 25 17.137 9.456 -10.027
13 1HH1 ARG 25 1HH2 ARG 25 15.539 12.325 -9.136
14 2HH1 ARG 25 2HH2 ARG 25 15.930 13.231 -10.539
15 1HH2 ARG 25 2HH1 ARG 25 17.707 10.506 -11.942
16 2HH2 ARG 25 1HH1 ARG 25 17.212 12.119 -12.227
17 H HIS 26 H HIS 26 11.460 7.694 -6.403
18 HA HIS 26 HA HIS 26 10.309 9.037 -4.031
19 1HB HIS 26 2HB HIS 26 8.433 7.479 -4.140
20 2HB HIS 26 1HB HIS 26 8.696 7.971 -5.793
21 HD1 HIS 26 HD1 HIS 26 9.181 5.017 -3.527
22 HD2 HIS 26 HD2 HIS 26 9.634 6.051 -7.550
23 HE1 HIS 26 HE1 HIS 26 9.582 2.960 -4.863
24 H TYR 27 H TYR 27 9.922 6.932 -2.357
25 HA TYR 27 HA TYR 27 12.624 5.745 -2.126
26 1HB TYR 27 2HB TYR 27 10.595 6.294 0.099
27 2HB TYR 27 1HB TYR 27 12.279 5.843 0.303
28 HD1 TYR 27 HD1 TYR 27 13.905 7.530 -1.249
29 HD2 TYR 27 HD2 TYR 27 10.168 8.559 0.522
30 HE1 TYR 27 HE1 TYR 27 14.521 9.890 -1.305
31 HE2 TYR 27 HE2 TYR 27 10.804 10.925 0.457
32 HH TYR 27 HH TYR 27 13.223 12.147 -1.373
33 H LYS 28 H LYS 28 12.668 3.677 -1.865
34 HA LYS 28 HA LYS 28 10.218 2.047 -2.308
35 1HB LYS 28 2HB LYS 28 11.910 0.270 -2.911
36 2HB LYS 28 1HB LYS 28 12.003 1.676 -3.949
37 1HG LYS 28 2HG LYS 28 13.946 2.530 -2.682
38 2HG LYS 28 1HG LYS 28 13.771 1.267 -1.482
39 1HD LYS 28 2HD LYS 28 14.208 -0.400 -3.384
40 2HD LYS 28 1HD LYS 28 14.579 0.984 -4.398
41 1HE LYS 28 2HE LYS 28 16.651 0.015 -3.333
42 2HE LYS 28 1HE LYS 28 16.385 1.687 -2.838
43 1HZ LYS 28 HZ LYS 28 15.478 -0.641 -1.186
44 H ASN 29 H ASN 29 11.700 3.191 0.158
45 HA ASN 29 HA ASN 29 12.705 1.733 2.095
46 1HB ASN 29 2HB ASN 29 11.771 3.836 2.727
47 2HB ASN 29 1HB ASN 29 10.129 3.340 2.355
48 1HD2 ASN 29 1HD2 ASN 29 8.948 2.629 4.164
49 2HD2 ASN 29 2HD2 ASN 29 9.653 2.133 5.626
50 H LEU 30 H LEU 30 9.313 1.425 1.753
51 HA LEU 30 HA LEU 30 8.555 -0.565 3.406
52 1HB LEU 30 2HB LEU 30 7.794 -0.459 0.456
53 2HB LEU 30 1HB LEU 30 6.883 -1.283 1.699
54 HG LEU 30 HG LEU 30 7.418 1.744 1.661
55 1HD1 LEU 30 1HD1 LEU 30 5.884 1.037 -0.133
56 2HD1 LEU 30 2HD1 LEU 30 5.017 1.918 1.108
57 3HD1 LEU 30 3HD1 LEU 30 4.901 0.169 1.032
58 1HD2 LEU 30 1HD2 LEU 30 5.755 1.816 3.502
59 2HD2 LEU 30 2HD2 LEU 30 7.092 0.807 4.004
60 3HD2 LEU 30 3HD2 LEU 30 5.590 0.074 3.474
61 H ILE 31 H ILE 31 10.229 -1.145 0.427
62 HA ILE 31 HA ILE 31 10.507 -4.039 1.116
63 HB ILE 31 HB ILE 31 11.187 -2.598 -1.524
64 1HG1 ILE 31 2HG1 ILE 31 8.653 -4.183 -0.799
65 2HG1 ILE 31 1HG1 ILE 31 8.733 -2.449 -0.976
66 1HG2 ILE 31 1HG2 ILE 31 10.804 -5.578 -0.926
67 2HG2 ILE 31 2HG2 ILE 31 12.351 -4.790 -1.185
68 3HG2 ILE 31 3HG2 ILE 31 11.204 -4.898 -2.494
69 1HD1 ILE 31 1HD1 ILE 31 9.252 -4.429 -3.240
70 2HD1 ILE 31 2HD1 ILE 31 9.351 -2.679 -3.374
71 3HD1 ILE 31 3HD1 ILE 31 7.823 -3.452 -3.015
72 H GLU 32 H GLU 32 12.222 -1.214 0.411
73 HA GLU 32 HA GLU 32 14.890 -2.044 0.312
74 1HB GLU 32 2HB GLU 32 14.001 0.455 0.357
75 2HB GLU 32 1HB GLU 32 14.227 0.334 2.090
76 1HG GLU 32 2HG GLU 32 16.481 0.863 1.788
77 2HG GLU 32 1HG GLU 32 16.682 -0.687 0.984
78 H ARG 33 H ARG 33 12.841 -1.751 3.096
79 HA ARG 33 HA ARG 33 15.071 -2.534 4.879
80 1HB ARG 33 2HB ARG 33 13.334 -0.773 5.553
81 2HB ARG 33 1HB ARG 33 12.152 -2.068 5.648
82 1HG ARG 33 2HG ARG 33 13.746 -3.251 7.298
83 2HG ARG 33 1HG ARG 33 14.762 -1.837 7.257
84 1HD ARG 33 2HD ARG 33 11.848 -1.913 8.156
85 2HD ARG 33 1HD ARG 33 13.237 -1.808 9.199
86 HE ARG 33 HE ARG 33 12.502 0.269 7.139
87 1HH1 ARG 33 1HH2 ARG 33 13.801 -0.514 10.262
88 2HH1 ARG 33 2HH2 ARG 33 14.065 1.106 10.720
89 1HH2 ARG 33 2HH1 ARG 33 12.843 2.372 7.662
90 2HH2 ARG 33 1HH1 ARG 33 13.493 2.810 9.187
91 H GLN 34 H GLN 34 11.963 -3.784 3.962
92 HA GLN 34 HA GLN 34 11.636 -6.088 5.344
93 1HB GLN 34 2HB GLN 34 11.509 -5.776 2.323
94 2HB GLN 34 1HB GLN 34 11.087 -7.306 3.069
95 1HG GLN 34 2HG GLN 34 9.330 -6.289 4.408
96 2HG GLN 34 1HG GLN 34 9.772 -4.680 3.909
97 1HE2 GLN 34 1HE2 GLN 34 10.070 -6.376 1.055
98 2HE2 GLN 34 2HE2 GLN 34 8.463 -6.238 0.526
99 H ARG 35 H ARG 35 14.006 -6.063 2.713
100 HA ARG 35 HA ARG 35 15.052 -8.648 3.840
101 1HB ARG 35 2HB ARG 35 15.737 -7.318 1.216
102 2HB ARG 35 1HB ARG 35 16.248 -8.900 1.768
103 1HG ARG 35 2HG ARG 35 13.830 -9.607 1.964
104 2HG ARG 35 1HG ARG 35 13.339 -8.041 1.349
105 1HD ARG 35 2HD ARG 35 14.549 -8.454 -0.758
106 2HD ARG 35 1HD ARG 35 15.059 -10.035 -0.180
107 HE ARG 35 HE ARG 35 12.627 -10.611 0.077
108 1HH1 ARG 35 1HH2 ARG 35 13.584 -8.198 -2.211
109 2HH1 ARG 35 2HH2 ARG 35 12.197 -8.331 -3.184
110 1HH2 ARG 35 2HH1 ARG 35 10.809 -10.867 -1.152
111 2HH2 ARG 35 1HH1 ARG 35 10.570 -9.973 -2.588
112 H TYR 36 H TYR 36 15.864 -5.594 4.378
113 HA TYR 36 HA TYR 36 18.697 -6.269 4.984
114 1HB TYR 36 2HB TYR 36 17.638 -3.974 3.343
115 2HB TYR 36 1HB TYR 36 18.975 -3.599 4.398
116 HD1 TYR 36 HD1 TYR 36 21.003 -5.301 4.307
117 HD2 TYR 36 HD2 TYR 36 18.157 -4.818 1.173
118 HE1 TYR 36 HE1 TYR 36 22.608 -6.216 2.711
119 HE2 TYR 36 HE2 TYR 36 19.781 -5.740 -0.426
120 HH TYR 36 HH TYR 36 22.909 -6.984 0.589
121 1HT TYR 36 1HT TYR 36 19.681 -4.459 6.555
122 2HT TYR 36 2HT TYR 36 18.619 -3.985 7.793
Start of MODEL 10
1 1H ACE 25 1HA ACE 25 2.995 6.756 -4.363
2 2H ACE 25 2HA ACE 25 1.772 8.020 -4.472
3 3H ACE 25 3HA ACE 25 1.963 7.106 -2.975
4 H ARG 25 H ARG 25 3.011 8.250 -1.456
5 HA ARG 25 HA ARG 25 5.170 10.149 -2.296
6 1HB ARG 25 2HB ARG 25 4.445 11.552 -0.355
7 2HB ARG 25 1HB ARG 25 3.217 11.431 -1.601
8 1HG ARG 25 2HG ARG 25 1.937 9.814 -0.330
9 2HG ARG 25 1HG ARG 25 3.229 9.553 0.814
10 1HD ARG 25 2HD ARG 25 1.473 12.029 0.435
11 2HD ARG 25 1HD ARG 25 1.567 11.064 1.889
12 HE ARG 25 HE ARG 25 3.301 13.234 1.163
13 1HH1 ARG 25 1HH2 ARG 25 3.326 10.136 2.603
14 2HH1 ARG 25 2HH2 ARG 25 4.667 10.410 3.632
15 1HH2 ARG 25 2HH1 ARG 25 5.091 13.709 2.449
16 2HH2 ARG 25 1HH1 ARG 25 5.725 12.522 3.504
17 H HIS 26 H HIS 26 5.776 7.585 -1.784
18 HA HIS 26 HA HIS 26 7.305 7.729 0.727
19 1HB HIS 26 2HB HIS 26 5.687 5.337 -0.327
20 2HB HIS 26 1HB HIS 26 6.813 5.214 1.014
21 HD1 HIS 26 HD1 HIS 26 6.246 7.077 2.986
22 HD2 HIS 26 HD2 HIS 26 3.188 5.955 0.412
23 HE1 HIS 26 HE1 HIS 26 4.047 7.653 4.033
24 H TYR 27 H TYR 27 9.006 5.676 0.531
25 HA TYR 27 HA TYR 27 10.002 5.687 -2.236
26 1HB TYR 27 2HB TYR 27 11.172 7.063 -0.064
27 2HB TYR 27 1HB TYR 27 12.046 5.551 -0.045
28 HD1 TYR 27 HD1 TYR 27 13.666 7.697 -0.297
29 HD2 TYR 27 HD2 TYR 27 11.445 5.965 -3.518
30 HE1 TYR 27 HE1 TYR 27 15.240 8.627 -1.910
31 HE2 TYR 27 HE2 TYR 27 13.032 6.910 -5.095
32 HH TYR 27 HH TYR 27 14.858 9.272 -4.695
33 H LYS 28 H LYS 28 11.541 3.973 -2.467
34 HA LYS 28 HA LYS 28 10.604 1.436 -2.378
35 1HB LYS 28 2HB LYS 28 12.941 0.652 -2.600
36 2HB LYS 28 1HB LYS 28 12.624 2.049 -3.603
37 1HG LYS 28 2HG LYS 28 13.693 3.504 -1.829
38 2HG LYS 28 1HG LYS 28 14.058 2.057 -0.908
39 1HD LYS 28 2HD LYS 28 15.172 1.290 -3.243
40 2HD LYS 28 1HD LYS 28 15.202 3.018 -3.539
41 1HE LYS 28 2HE LYS 28 17.305 2.287 -2.452
42 2HE LYS 28 1HE LYS 28 16.407 3.336 -1.348
43 1HZ LYS 28 HZ LYS 28 16.183 0.361 -1.276
44 H ASN 29 H ASN 29 11.956 2.985 0.296
45 HA ASN 29 HA ASN 29 12.928 1.452 2.194
46 1HB ASN 29 2HB ASN 29 11.712 3.725 2.522
47 2HB ASN 29 1HB ASN 29 10.293 2.767 2.930
48 1HD2 ASN 29 1HD2 ASN 29 12.588 4.417 4.509
49 2HD2 ASN 29 2HD2 ASN 29 12.814 3.405 5.850
50 H LEU 30 H LEU 30 9.503 1.219 1.812
51 HA LEU 30 HA LEU 30 8.754 -0.831 3.437
52 1HB LEU 30 2HB LEU 30 7.962 -0.599 0.505
53 2HB LEU 30 1HB LEU 30 7.192 -1.698 1.629
54 HG LEU 30 HG LEU 30 6.816 0.483 3.101
55 1HD1 LEU 30 1HD1 LEU 30 6.365 2.493 1.712
56 2HD1 LEU 30 2HD1 LEU 30 7.028 1.694 0.303
57 3HD1 LEU 30 3HD1 LEU 30 8.060 2.124 1.651
58 1HD2 LEU 30 1HD2 LEU 30 5.031 -0.934 2.147
59 2HD2 LEU 30 2HD2 LEU 30 5.200 -0.130 0.597
60 3HD2 LEU 30 3HD2 LEU 30 4.615 0.754 1.996
61 H ILE 31 H ILE 31 10.393 -1.333 0.450
62 HA ILE 31 HA ILE 31 10.629 -4.261 0.903
63 HB ILE 31 HB ILE 31 11.557 -2.564 -1.484
64 1HG1 ILE 31 2HG1 ILE 31 9.053 -4.315 -1.245
65 2HG1 ILE 31 1HG1 ILE 31 9.036 -2.563 -1.113
66 1HG2 ILE 31 1HG2 ILE 31 11.727 -4.763 -2.643
67 2HG2 ILE 31 2HG2 ILE 31 11.221 -5.593 -1.179
68 3HG2 ILE 31 3HG2 ILE 31 12.759 -4.751 -1.229
69 1HD1 ILE 31 1HD1 ILE 31 8.445 -3.246 -3.404
70 2HD1 ILE 31 2HD1 ILE 31 9.955 -4.110 -3.579
71 3HD1 ILE 31 3HD1 ILE 31 9.958 -2.358 -3.417
72 H GLU 32 H GLU 32 12.483 -1.525 0.218
73 HA GLU 32 HA GLU 32 15.140 -2.507 0.546
74 1HB GLU 32 2HB GLU 32 14.588 -0.340 -0.379
75 2HB GLU 32 1HB GLU 32 14.034 0.222 1.160
76 1HG GLU 32 2HG GLU 32 16.292 0.229 2.148
77 2HG GLU 32 1HG GLU 32 16.968 -0.586 0.732
78 H ARG 33 H ARG 33 12.813 -2.091 2.824
79 HA ARG 33 HA ARG 33 14.695 -2.059 5.144
80 1HB ARG 33 2HB ARG 33 12.445 -0.606 4.939
81 2HB ARG 33 1HB ARG 33 11.642 -2.076 5.392
82 1HG ARG 33 2HG ARG 33 11.938 -1.109 7.471
83 2HG ARG 33 1HG ARG 33 13.362 -2.129 7.405
84 1HD ARG 33 2HD ARG 33 14.651 -0.182 6.485
85 2HD ARG 33 1HD ARG 33 13.250 0.866 6.700
86 HE ARG 33 HE ARG 33 13.470 -0.036 9.213
87 1HH1 ARG 33 1HH2 ARG 33 15.967 0.942 7.046
88 2HH1 ARG 33 2HH2 ARG 33 17.063 1.427 8.265
89 1HH2 ARG 33 2HH1 ARG 33 14.852 0.568 10.879
90 2HH2 ARG 33 1HH1 ARG 33 16.397 1.201 10.515
91 H GLN 34 H GLN 34 11.792 -3.603 4.093
92 HA GLN 34 HA GLN 34 11.647 -5.906 5.592
93 1HB GLN 34 2HB GLN 34 9.977 -5.237 3.825
94 2HB GLN 34 1HB GLN 34 11.108 -5.739 2.583
95 1HG GLN 34 2HG GLN 34 11.030 -8.102 3.508
96 2HG GLN 34 1HG GLN 34 9.846 -7.561 4.684
97 1HE2 GLN 34 1HE2 GLN 34 7.781 -8.233 3.971
98 2HE2 GLN 34 2HE2 GLN 34 7.282 -8.185 2.347
99 H ARG 35 H ARG 35 13.597 -5.505 2.725
100 HA ARG 35 HA ARG 35 14.798 -8.198 3.098
101 1HB ARG 35 2HB ARG 35 13.991 -6.713 0.865
102 2HB ARG 35 1HB ARG 35 15.716 -6.554 0.802
103 1HG ARG 35 2HG ARG 35 15.098 -9.366 1.331
104 2HG ARG 35 1HG ARG 35 14.062 -8.814 0.038
105 1HD ARG 35 2HD ARG 35 16.085 -9.635 -0.931
106 2HD ARG 35 1HD ARG 35 16.122 -7.885 -1.150
107 HE ARG 35 HE ARG 35 17.417 -7.940 1.135
108 1HH1 ARG 35 1HH2 ARG 35 17.714 -10.228 -1.402
109 2HH1 ARG 35 2HH2 ARG 35 19.311 -10.728 -1.019
110 1HH2 ARG 35 2HH1 ARG 35 19.472 -8.493 1.716
111 2HH2 ARG 35 1HH1 ARG 35 20.371 -9.665 0.842
112 H TYR 36 H TYR 36 15.423 -5.773 4.712
113 HA TYR 36 HA TYR 36 18.396 -5.970 4.487
114 1HB TYR 36 2HB TYR 36 17.620 -3.772 3.569
115 2HB TYR 36 1HB TYR 36 16.787 -3.429 5.066
116 HD1 TYR 36 HD1 TYR 36 18.233 -1.306 4.761
117 HD2 TYR 36 HD2 TYR 36 19.953 -5.090 5.760
118 HE1 TYR 36 HE1 TYR 36 20.250 -0.191 5.624
119 HE2 TYR 36 HE2 TYR 36 21.921 -3.973 6.602
120 HH TYR 36 HH TYR 36 23.012 -1.985 6.845
121 1HT TYR 36 1HT TYR 36 15.854 -4.676 6.673
122 2HT TYR 36 2HT TYR 36 16.511 -5.391 8.083
Start of MODEL 11
1 1H ACE 25 1HA ACE 25 5.620 10.061 4.309
2 2H ACE 25 2HA ACE 25 4.539 9.558 3.010
3 3H ACE 25 3HA ACE 25 6.210 9.980 2.654
4 H ARG 25 H ARG 25 4.209 7.444 2.994
5 HA ARG 25 HA ARG 25 6.369 5.544 3.823
6 1HB ARG 25 2HB ARG 25 4.568 5.853 5.531
7 2HB ARG 25 1HB ARG 25 3.354 5.460 4.336
8 1HG ARG 25 2HG ARG 25 4.373 3.121 4.171
9 2HG ARG 25 1HG ARG 25 5.443 3.560 5.487
10 1HD ARG 25 2HD ARG 25 3.575 3.809 7.024
11 2HD ARG 25 1HD ARG 25 2.426 3.866 5.710
12 HE ARG 25 HE ARG 25 2.914 1.531 5.186
13 1HH1 ARG 25 1HH2 ARG 25 3.837 2.615 8.343
14 2HH1 ARG 25 2HH2 ARG 25 3.809 1.057 9.041
15 1HH2 ARG 25 2HH1 ARG 25 2.875 -0.506 6.035
16 2HH2 ARG 25 1HH1 ARG 25 3.240 -0.777 7.683
17 H HIS 26 H HIS 26 5.787 6.558 1.185
18 HA HIS 26 HA HIS 26 5.051 4.035 -0.175
19 1HB HIS 26 2HB HIS 26 3.151 5.710 -0.190
20 2HB HIS 26 1HB HIS 26 4.198 6.859 -1.006
21 HD1 HIS 26 HD1 HIS 26 5.207 5.729 -3.360
22 HD2 HIS 26 HD2 HIS 26 1.586 4.354 -1.858
23 HE1 HIS 26 HE1 HIS 26 3.917 4.595 -5.210
24 H TYR 27 H TYR 27 7.517 4.370 0.361
25 HA TYR 27 HA TYR 27 8.877 5.454 -2.066
26 1HB TYR 27 2HB TYR 27 9.872 5.330 0.839
27 2HB TYR 27 1HB TYR 27 10.761 6.002 -0.510
28 HD1 TYR 27 HD1 TYR 27 9.543 7.316 2.176
29 HD2 TYR 27 HD2 TYR 27 8.452 7.446 -1.950
30 HE1 TYR 27 HE1 TYR 27 8.447 9.460 2.513
31 HE2 TYR 27 HE2 TYR 27 7.361 9.584 -1.593
32 HH TYR 27 HH TYR 27 7.132 11.366 -0.117
33 H LYS 28 H LYS 28 11.395 4.253 -1.181
34 HA LYS 28 HA LYS 28 10.892 1.575 -2.338
35 1HB LYS 28 2HB LYS 28 12.851 3.232 -2.964
36 2HB LYS 28 1HB LYS 28 13.641 2.670 -1.505
37 1HG LYS 28 2HG LYS 28 13.577 0.355 -2.297
38 2HG LYS 28 1HG LYS 28 12.658 0.821 -3.703
39 1HD LYS 28 2HD LYS 28 14.956 0.538 -4.387
40 2HD LYS 28 1HD LYS 28 14.578 2.239 -4.464
41 1HE LYS 28 2HE LYS 28 16.859 1.629 -3.425
42 2HE LYS 28 1HE LYS 28 15.865 2.724 -2.468
43 1HZ LYS 28 HZ LYS 28 15.668 -0.197 -1.951
44 H ASN 29 H ASN 29 11.843 3.002 0.635
45 HA ASN 29 HA ASN 29 12.939 1.211 2.311
46 1HB ASN 29 2HB ASN 29 10.418 2.786 2.981
47 2HB ASN 29 1HB ASN 29 11.552 2.125 4.153
48 1HD2 ASN 29 1HD2 ASN 29 13.131 3.617 4.784
49 2HD2 ASN 29 2HD2 ASN 29 13.625 4.917 3.804
50 H LEU 30 H LEU 30 9.579 1.218 1.680
51 HA LEU 30 HA LEU 30 8.454 -0.766 3.123
52 1HB LEU 30 2HB LEU 30 8.147 -0.331 0.111
53 2HB LEU 30 1HB LEU 30 7.116 -1.420 0.999
54 HG LEU 30 HG LEU 30 6.012 0.751 0.626
55 1HD1 LEU 30 1HD1 LEU 30 6.695 0.321 3.571
56 2HD1 LEU 30 2HD1 LEU 30 5.426 -0.494 2.666
57 3HD1 LEU 30 3HD1 LEU 30 5.331 1.230 2.950
58 1HD2 LEU 30 1HD2 LEU 30 6.739 2.808 1.700
59 2HD2 LEU 30 2HD2 LEU 30 7.989 2.256 0.602
60 3HD2 LEU 30 3HD2 LEU 30 8.164 2.052 2.353
61 H ILE 31 H ILE 31 10.390 -1.327 0.300
62 HA ILE 31 HA ILE 31 10.484 -4.241 0.897
63 HB ILE 31 HB ILE 31 11.434 -2.757 -1.621
64 1HG1 ILE 31 2HG1 ILE 31 8.816 -4.276 -1.112
65 2HG1 ILE 31 1HG1 ILE 31 8.945 -2.535 -1.231
66 1HG2 ILE 31 1HG2 ILE 31 12.487 -5.010 -1.240
67 2HG2 ILE 31 2HG2 ILE 31 11.436 -5.038 -2.633
68 3HG2 ILE 31 3HG2 ILE 31 10.894 -5.728 -1.114
69 1HD1 ILE 31 1HD1 ILE 31 9.757 -2.718 -3.577
70 2HD1 ILE 31 2HD1 ILE 31 8.179 -3.449 -3.359
71 3HD1 ILE 31 3HD1 ILE 31 9.596 -4.469 -3.488
72 H GLU 32 H GLU 32 12.469 -1.657 -0.005
73 HA GLU 32 HA GLU 32 15.066 -2.643 0.251
74 1HB GLU 32 2HB GLU 32 14.265 -0.376 -0.523
75 2HB GLU 32 1HB GLU 32 14.195 0.114 1.144
76 1HG GLU 32 2HG GLU 32 16.553 0.156 1.410
77 2HG GLU 32 1HG GLU 32 16.839 -0.946 0.059
78 H ARG 33 H ARG 33 12.972 -1.933 2.804
79 HA ARG 33 HA ARG 33 15.078 -2.270 4.886
80 1HB ARG 33 2HB ARG 33 13.310 -0.319 4.860
81 2HB ARG 33 1HB ARG 33 12.137 -1.521 5.315
82 1HG ARG 33 2HG ARG 33 14.693 -0.975 6.909
83 2HG ARG 33 1HG ARG 33 13.189 -0.144 7.227
84 1HD ARG 33 2HD ARG 33 12.089 -2.327 7.798
85 2HD ARG 33 1HD ARG 33 13.582 -3.155 7.415
86 HE ARG 33 HE ARG 33 13.461 -1.059 9.531
87 1HH1 ARG 33 1HH2 ARG 33 14.296 -4.293 8.549
88 2HH1 ARG 33 2HH2 ARG 33 15.109 -4.679 9.990
89 1HH2 ARG 33 2HH1 ARG 33 14.492 -1.513 11.440
90 2HH2 ARG 33 1HH1 ARG 33 15.215 -3.045 11.698
91 H GLN 34 H GLN 34 12.137 -3.530 3.616
92 HA GLN 34 HA GLN 34 11.485 -5.622 5.403
93 1HB GLN 34 2HB GLN 34 10.508 -4.897 2.911
94 2HB GLN 34 1HB GLN 34 11.425 -6.304 2.458
95 1HG GLN 34 2HG GLN 34 9.246 -7.177 2.951
96 2HG GLN 34 1HG GLN 34 10.217 -7.586 4.346
97 1HE2 GLN 34 1HE2 GLN 34 9.254 -4.190 4.081
98 2HE2 GLN 34 2HE2 GLN 34 8.045 -4.311 5.264
99 H ARG 35 H ARG 35 13.663 -5.548 2.695
100 HA ARG 35 HA ARG 35 14.822 -8.185 3.295
101 1HB ARG 35 2HB ARG 35 15.570 -6.044 1.284
102 2HB ARG 35 1HB ARG 35 16.320 -7.617 1.439
103 1HG ARG 35 2HG ARG 35 14.125 -8.734 0.939
104 2HG ARG 35 1HG ARG 35 13.348 -7.165 0.894
105 1HD ARG 35 2HD ARG 35 13.997 -8.197 -1.391
106 2HD ARG 35 1HD ARG 35 14.438 -6.524 -1.103
107 HE ARG 35 HE ARG 35 16.299 -8.864 -0.712
108 1HH1 ARG 35 1HH2 ARG 35 15.763 -5.598 -1.740
109 2HH1 ARG 35 2HH2 ARG 35 17.380 -5.332 -2.231
110 1HH2 ARG 35 2HH1 ARG 35 18.436 -8.551 -1.314
111 2HH2 ARG 35 1HH1 ARG 35 18.933 -7.034 -1.932
112 H TYR 36 H TYR 36 15.083 -6.723 5.405
113 HA TYR 36 HA TYR 36 18.036 -6.294 5.702
114 1HB TYR 36 2HB TYR 36 16.648 -4.086 5.669
115 2HB TYR 36 1HB TYR 36 15.947 -4.629 7.182
116 HD1 TYR 36 HD1 TYR 36 17.586 -5.183 9.146
117 HD2 TYR 36 HD2 TYR 36 18.760 -3.004 5.676
118 HE1 TYR 36 HE1 TYR 36 19.526 -4.308 10.347
119 HE2 TYR 36 HE2 TYR 36 20.700 -2.137 6.895
120 HH TYR 36 HH TYR 36 22.106 -3.164 9.098
121 1HT TYR 36 1HT TYR 36 17.863 -8.609 6.428
122 2HT TYR 36 2HT TYR 36 17.248 -8.935 7.979
Start of MODEL 12
1 1H ACE 25 1HA ACE 25 9.478 10.377 -8.497
2 2H ACE 25 2HA ACE 25 8.145 9.739 -9.463
3 3H ACE 25 3HA ACE 25 9.451 8.671 -8.941
4 H ARG 25 H ARG 25 6.329 9.446 -8.261
5 HA ARG 25 HA ARG 25 6.557 9.271 -5.325
6 1HB ARG 25 2HB ARG 25 4.099 9.223 -7.137
7 2HB ARG 25 1HB ARG 25 4.068 9.299 -5.388
8 1HG ARG 25 2HG ARG 25 5.465 11.443 -5.542
9 2HG ARG 25 1HG ARG 25 5.245 11.386 -7.280
10 1HD ARG 25 2HD ARG 25 2.829 11.509 -7.052
11 2HD ARG 25 1HD ARG 25 2.884 11.450 -5.316
12 HE ARG 25 HE ARG 25 3.724 13.686 -7.078
13 1HH1 ARG 25 1HH2 ARG 25 3.484 12.416 -3.888
14 2HH1 ARG 25 2HH2 ARG 25 3.587 13.928 -3.094
15 1HH2 ARG 25 2HH1 ARG 25 3.916 15.701 -6.127
16 2HH2 ARG 25 1HH1 ARG 25 3.887 15.867 -4.427
17 H HIS 26 H HIS 26 7.811 7.266 -5.796
18 HA HIS 26 HA HIS 26 6.021 4.905 -5.817
19 1HB HIS 26 2HB HIS 26 7.997 5.229 -7.643
20 2HB HIS 26 1HB HIS 26 9.020 4.703 -6.314
21 HD1 HIS 26 HD1 HIS 26 5.932 3.547 -8.151
22 HD2 HIS 26 HD2 HIS 26 9.085 2.040 -5.882
23 HE1 HIS 26 HE1 HIS 26 5.823 1.049 -8.144
24 H TYR 27 H TYR 27 7.387 3.047 -4.476
25 HA TYR 27 HA TYR 27 8.338 4.342 -1.990
26 1HB TYR 27 2HB TYR 27 6.652 1.829 -2.224
27 2HB TYR 27 1HB TYR 27 7.196 2.595 -0.752
28 HD1 TYR 27 HD1 TYR 27 6.644 5.297 -0.744
29 HD2 TYR 27 HD2 TYR 27 4.412 2.297 -2.792
30 HE1 TYR 27 HE1 TYR 27 4.687 6.759 -0.765
31 HE2 TYR 27 HE2 TYR 27 2.457 3.777 -2.807
32 HH TYR 27 HH TYR 27 2.222 6.474 -2.708
33 H LYS 28 H LYS 28 10.331 3.763 -1.547
34 HA LYS 28 HA LYS 28 11.462 1.234 -2.685
35 1HB LYS 28 2HB LYS 28 12.725 3.367 -3.135
36 2HB LYS 28 1HB LYS 28 12.898 3.652 -1.416
37 1HG LYS 28 2HG LYS 28 14.084 1.312 -1.338
38 2HG LYS 28 1HG LYS 28 14.172 1.440 -3.079
39 1HD LYS 28 2HD LYS 28 15.391 3.581 -2.901
40 2HD LYS 28 1HD LYS 28 15.256 3.546 -1.156
41 1HE LYS 28 2HE LYS 28 16.862 1.644 -2.910
42 2HE LYS 28 1HE LYS 28 17.457 2.716 -1.649
43 1HZ LYS 28 HZ LYS 28 15.793 0.289 -1.174
44 H ASN 29 H ASN 29 11.844 3.132 0.209
45 HA ASN 29 HA ASN 29 12.878 1.632 2.134
46 1HB ASN 29 2HB ASN 29 10.260 3.184 2.467
47 2HB ASN 29 1HB ASN 29 11.208 2.574 3.815
48 1HD2 ASN 29 1HD2 ASN 29 10.736 5.410 2.176
49 2HD2 ASN 29 2HD2 ASN 29 12.293 6.054 2.380
50 H LEU 30 H LEU 30 9.512 1.341 1.532
51 HA LEU 30 HA LEU 30 8.540 -0.576 3.145
52 1HB LEU 30 2HB LEU 30 7.647 0.532 0.822
53 2HB LEU 30 1HB LEU 30 7.985 -1.072 0.216
54 HG LEU 30 HG LEU 30 6.220 -0.472 2.618
55 1HD1 LEU 30 1HD1 LEU 30 5.230 0.364 0.516
56 2HD1 LEU 30 2HD1 LEU 30 4.338 -1.036 1.071
57 3HD1 LEU 30 3HD1 LEU 30 5.478 -1.194 -0.250
58 1HD2 LEU 30 1HD2 LEU 30 6.623 -3.080 1.066
59 2HD2 LEU 30 2HD2 LEU 30 5.452 -2.843 2.352
60 3HD2 LEU 30 3HD2 LEU 30 7.158 -2.771 2.707
61 H ILE 31 H ILE 31 10.518 -1.259 0.381
62 HA ILE 31 HA ILE 31 10.705 -4.116 1.190
63 HB ILE 31 HB ILE 31 11.903 -2.956 -1.373
64 1HG1 ILE 31 2HG1 ILE 31 9.595 -4.072 -2.323
65 2HG1 ILE 31 1HG1 ILE 31 9.007 -3.575 -0.751
66 1HG2 ILE 31 1HG2 ILE 31 11.616 -5.295 -2.175
67 2HG2 ILE 31 2HG2 ILE 31 10.888 -5.745 -0.644
68 3HG2 ILE 31 3HG2 ILE 31 12.579 -5.275 -0.712
69 1HD1 ILE 31 1HD1 ILE 31 10.305 -1.739 -2.812
70 2HD1 ILE 31 2HD1 ILE 31 9.708 -1.206 -1.261
71 3HD1 ILE 31 3HD1 ILE 31 8.599 -1.823 -2.457
72 H GLU 32 H GLU 32 12.654 -1.441 0.419
73 HA GLU 32 HA GLU 32 15.248 -2.547 0.790
74 1HB GLU 32 2HB GLU 32 14.612 -0.110 0.075
75 2HB GLU 32 1HB GLU 32 14.583 0.251 1.780
76 1HG GLU 32 2HG GLU 32 16.926 -0.057 2.095
77 2HG GLU 32 1HG GLU 32 17.092 -1.090 0.684
78 H ARG 33 H ARG 33 12.915 -1.825 3.149
79 HA ARG 33 HA ARG 33 14.839 -2.289 5.387
80 1HB ARG 33 2HB ARG 33 13.119 -0.273 5.236
81 2HB ARG 33 1HB ARG 33 11.889 -1.472 5.572
82 1HG ARG 33 2HG ARG 33 13.157 -2.045 7.722
83 2HG ARG 33 1HG ARG 33 14.223 -0.688 7.390
84 1HD ARG 33 2HD ARG 33 12.111 0.773 7.240
85 2HD ARG 33 1HD ARG 33 11.205 -0.579 7.910
86 HE ARG 33 HE ARG 33 12.879 -0.516 9.838
87 1HH1 ARG 33 1HH2 ARG 33 11.980 2.327 8.084
88 2HH1 ARG 33 2HH2 ARG 33 12.351 3.408 9.351
89 1HH2 ARG 33 2HH1 ARG 33 13.345 0.847 11.553
90 2HH2 ARG 33 1HH1 ARG 33 13.126 2.531 11.386
91 H GLN 34 H GLN 34 12.581 -3.906 3.554
92 HA GLN 34 HA GLN 34 11.895 -5.888 5.643
93 1HB GLN 34 2HB GLN 34 10.126 -5.115 4.015
94 2HB GLN 34 1HB GLN 34 11.085 -5.712 2.677
95 1HG GLN 34 2HG GLN 34 10.872 -8.038 3.471
96 2HG GLN 34 1HG GLN 34 10.027 -7.498 4.912
97 1HE2 GLN 34 1HE2 GLN 34 7.816 -8.056 4.632
98 2HE2 GLN 34 2HE2 GLN 34 6.966 -7.842 3.176
99 H ARG 35 H ARG 35 13.480 -5.769 2.507
100 HA ARG 35 HA ARG 35 14.676 -8.464 2.911
101 1HB ARG 35 2HB ARG 35 13.532 -7.603 0.856
102 2HB ARG 35 1HB ARG 35 14.948 -6.625 0.506
103 1HG ARG 35 2HG ARG 35 16.364 -8.752 0.534
104 2HG ARG 35 1HG ARG 35 14.911 -9.692 0.791
105 1HD ARG 35 2HD ARG 35 15.217 -9.860 -1.514
106 2HD ARG 35 1HD ARG 35 14.028 -8.566 -1.434
107 HE ARG 35 HE ARG 35 16.139 -7.024 -1.449
108 1HH1 ARG 35 1HH2 ARG 35 15.802 -9.991 -3.219
109 2HH1 ARG 35 2HH2 ARG 35 16.908 -9.565 -4.448
110 1HH2 ARG 35 2HH1 ARG 35 17.578 -6.411 -3.065
111 2HH2 ARG 35 1HH1 ARG 35 17.936 -7.472 -4.367
112 H TYR 36 H TYR 36 15.443 -6.743 4.605
113 HA TYR 36 HA TYR 36 18.256 -5.917 3.904
114 1HB TYR 36 2HB TYR 36 16.637 -4.160 4.837
115 2HB TYR 36 1HB TYR 36 16.603 -5.056 6.342
116 HD1 TYR 36 HD1 TYR 36 19.013 -5.558 7.433
117 HD2 TYR 36 HD2 TYR 36 18.270 -2.533 4.520
118 HE1 TYR 36 HE1 TYR 36 21.041 -4.401 8.114
119 HE2 TYR 36 HE2 TYR 36 20.321 -1.378 5.216
120 HH TYR 36 HH TYR 36 22.552 -2.756 7.501
121 1HT TYR 36 1HT TYR 36 16.362 -7.577 6.501
122 2HT TYR 36 2HT TYR 36 17.700 -8.490 7.030
Start of MODEL 13
1 1H ACE 25 1HA ACE 25 -2.539 1.008 -4.450
2 2H ACE 25 2HA ACE 25 -1.885 0.408 -2.923
3 3H ACE 25 3HA ACE 25 -1.191 -0.128 -4.454
4 H ARG 25 H ARG 25 -0.561 1.841 -1.937
5 HA ARG 25 HA ARG 25 0.957 3.789 -3.636
6 1HB ARG 25 2HB ARG 25 -0.936 4.716 -2.138
7 2HB ARG 25 1HB ARG 25 0.030 4.220 -0.755
8 1HG ARG 25 2HG ARG 25 1.832 5.681 -1.316
9 2HG ARG 25 1HG ARG 25 1.243 5.980 -2.931
10 1HD ARG 25 2HD ARG 25 -0.897 7.027 -1.583
11 2HD ARG 25 1HD ARG 25 0.256 7.054 -0.272
12 HE ARG 25 HE ARG 25 1.384 8.808 -1.299
13 1HH1 ARG 25 1HH2 ARG 25 -0.549 7.095 -3.508
14 2HH1 ARG 25 2HH2 ARG 25 -0.371 8.163 -4.840
15 1HH2 ARG 25 2HH1 ARG 25 1.745 10.318 -2.984
16 2HH2 ARG 25 1HH1 ARG 25 1.014 10.075 -4.510
17 H HIS 26 H HIS 26 2.587 2.236 -3.782
18 HA HIS 26 HA HIS 26 4.027 1.550 -1.307
19 1HB HIS 26 2HB HIS 26 4.270 0.525 -4.161
20 2HB HIS 26 1HB HIS 26 5.294 -0.035 -2.854
21 HD1 HIS 26 HD1 HIS 26 3.915 -1.169 -0.792
22 HD2 HIS 26 HD2 HIS 26 1.870 -0.638 -4.379
23 HE1 HIS 26 HE1 HIS 26 1.860 -2.585 -0.781
24 H TYR 27 H TYR 27 6.354 1.662 -1.297
25 HA TYR 27 HA TYR 27 7.555 3.793 -2.954
26 1HB TYR 27 2HB TYR 27 7.025 3.751 -0.036
27 2HB TYR 27 1HB TYR 27 8.720 4.062 -0.346
28 HD1 TYR 27 HD1 TYR 27 9.082 5.830 -2.395
29 HD2 TYR 27 HD2 TYR 27 5.588 5.561 0.029
30 HE1 TYR 27 HE1 TYR 27 8.516 8.126 -2.970
31 HE2 TYR 27 HE2 TYR 27 5.020 7.874 -0.552
32 HH TYR 27 HH TYR 27 7.200 9.982 -2.154
33 H LYS 28 H LYS 28 10.041 3.663 -1.813
34 HA LYS 28 HA LYS 28 10.948 0.984 -2.739
35 1HB LYS 28 2HB LYS 28 11.882 3.490 -3.372
36 2HB LYS 28 1HB LYS 28 12.910 3.183 -1.988
37 1HG LYS 28 2HG LYS 28 12.666 1.237 -4.298
38 2HG LYS 28 1HG LYS 28 13.855 2.523 -4.258
39 1HD LYS 28 2HD LYS 28 13.597 0.447 -2.080
40 2HD LYS 28 1HD LYS 28 14.614 0.242 -3.484
41 1HE LYS 28 2HE LYS 28 16.227 1.636 -2.714
42 2HE LYS 28 1HE LYS 28 15.085 2.874 -2.183
43 1HZ LYS 28 HZ LYS 28 14.721 1.626 -0.163
44 H ASN 29 H ASN 29 11.772 3.191 -0.103
45 HA ASN 29 HA ASN 29 13.241 1.729 1.590
46 1HB ASN 29 2HB ASN 29 11.891 4.056 1.928
47 2HB ASN 29 1HB ASN 29 10.914 3.042 2.976
48 1HD2 ASN 29 1HD2 ASN 29 13.616 4.959 2.917
49 2HD2 ASN 29 2HD2 ASN 29 14.439 4.311 4.253
50 H LEU 30 H LEU 30 9.810 1.497 1.614
51 HA LEU 30 HA LEU 30 9.278 -0.364 3.595
52 1HB LEU 30 2HB LEU 30 8.051 -0.210 0.813
53 2HB LEU 30 1HB LEU 30 7.444 -1.291 2.043
54 HG LEU 30 HG LEU 30 7.086 0.665 3.557
55 1HD1 LEU 30 1HD1 LEU 30 7.003 2.953 2.508
56 2HD1 LEU 30 2HD1 LEU 30 7.828 2.284 1.107
57 3HD1 LEU 30 3HD1 LEU 30 8.622 2.340 2.680
58 1HD2 LEU 30 1HD2 LEU 30 5.653 0.779 0.878
59 2HD2 LEU 30 2HD2 LEU 30 5.062 1.487 2.370
60 3HD2 LEU 30 3HD2 LEU 30 5.224 -0.248 2.238
61 H ILE 31 H ILE 31 10.426 -1.063 0.390
62 HA ILE 31 HA ILE 31 10.534 -3.962 0.887
63 HB ILE 31 HB ILE 31 11.762 -2.246 -1.371
64 1HG1 ILE 31 2HG1 ILE 31 9.192 -3.912 -1.372
65 2HG1 ILE 31 1HG1 ILE 31 9.226 -2.170 -1.213
66 1HG2 ILE 31 1HG2 ILE 31 11.987 -4.405 -2.604
67 2HG2 ILE 31 2HG2 ILE 31 11.314 -5.268 -1.232
68 3HG2 ILE 31 3HG2 ILE 31 12.876 -4.475 -1.102
69 1HD1 ILE 31 1HD1 ILE 31 10.246 -3.714 -3.636
70 2HD1 ILE 31 2HD1 ILE 31 10.343 -1.967 -3.428
71 3HD1 ILE 31 3HD1 ILE 31 8.783 -2.753 -3.545
72 H GLU 32 H GLU 32 12.630 -1.380 0.410
73 HA GLU 32 HA GLU 32 15.199 -2.336 0.908
74 1HB GLU 32 2HB GLU 32 14.116 0.103 0.595
75 2HB GLU 32 1HB GLU 32 14.434 0.238 2.295
76 1HG GLU 32 2HG GLU 32 16.542 0.967 1.661
77 2HG GLU 32 1HG GLU 32 16.905 -0.712 1.290
78 H ARG 33 H ARG 33 12.672 -1.917 3.216
79 HA ARG 33 HA ARG 33 14.329 -2.430 5.571
80 1HB ARG 33 2HB ARG 33 11.364 -1.942 5.137
81 2HB ARG 33 1HB ARG 33 12.060 -2.201 6.708
82 1HG ARG 33 2HG ARG 33 12.921 0.001 4.816
83 2HG ARG 33 1HG ARG 33 11.680 0.240 6.019
84 1HD ARG 33 2HD ARG 33 13.706 -0.740 7.637
85 2HD ARG 33 1HD ARG 33 14.628 -0.122 6.300
86 HE ARG 33 HE ARG 33 13.842 2.068 6.640
87 1HH1 ARG 33 1HH2 ARG 33 12.520 -0.208 8.879
88 2HH1 ARG 33 2HH2 ARG 33 12.024 0.949 10.036
89 1HH2 ARG 33 2HH1 ARG 33 13.194 3.664 8.114
90 2HH2 ARG 33 1HH1 ARG 33 12.409 3.226 9.569
91 H GLN 34 H GLN 34 12.186 -4.217 3.592
92 HA GLN 34 HA GLN 34 11.958 -6.393 5.591
93 1HB GLN 34 2HB GLN 34 10.820 -6.028 2.756
94 2HB GLN 34 1HB GLN 34 10.395 -7.348 3.854
95 1HG GLN 34 2HG GLN 34 9.658 -5.703 5.587
96 2HG GLN 34 1HG GLN 34 10.121 -4.369 4.573
97 1HE2 GLN 34 1HE2 GLN 34 8.460 -6.839 2.756
98 2HE2 GLN 34 2HE2 GLN 34 6.961 -6.032 2.803
99 H ARG 35 H ARG 35 13.735 -5.550 2.720
100 HA ARG 35 HA ARG 35 15.007 -8.277 2.700
101 1HB ARG 35 2HB ARG 35 15.159 -5.919 0.761
102 2HB ARG 35 1HB ARG 35 16.246 -7.289 0.716
103 1HG ARG 35 2HG ARG 35 14.271 -8.838 0.345
104 2HG ARG 35 1HG ARG 35 13.206 -7.443 0.377
105 1HD ARG 35 2HD ARG 35 14.154 -6.527 -1.646
106 2HD ARG 35 1HD ARG 35 15.512 -7.628 -1.612
107 HE ARG 35 HE ARG 35 12.656 -8.469 -2.030
108 1HH1 ARG 35 1HH2 ARG 35 16.036 -8.825 -2.837
109 2HH1 ARG 35 2HH2 ARG 35 15.762 -10.057 -3.978
110 1HH2 ARG 35 2HH1 ARG 35 12.302 -10.103 -3.536
111 2HH2 ARG 35 1HH1 ARG 35 13.616 -10.810 -4.372
112 H TYR 36 H TYR 36 15.378 -6.760 4.855
113 HA TYR 36 HA TYR 36 18.258 -5.924 4.717
114 1HB TYR 36 2HB TYR 36 16.624 -3.978 5.045
115 2HB TYR 36 1HB TYR 36 16.115 -4.711 6.551
116 HD1 TYR 36 HD1 TYR 36 17.819 -4.922 8.447
117 HD2 TYR 36 HD2 TYR 36 18.688 -2.772 4.876
118 HE1 TYR 36 HE1 TYR 36 19.729 -3.856 9.560
119 HE2 TYR 36 HE2 TYR 36 20.597 -1.702 5.997
120 HH TYR 36 HH TYR 36 21.149 -1.850 9.348
121 1HT TYR 36 1HT TYR 36 19.377 -6.251 6.955
122 2HT TYR 36 2HT TYR 36 18.837 -7.588 7.865
Start of MODEL 14
1 1H ACE 25 1HA ACE 25 16.221 7.792 -6.155
2 2H ACE 25 2HA ACE 25 14.502 8.144 -6.032
3 3H ACE 25 3HA ACE 25 15.065 6.470 -5.956
4 H ARG 25 H ARG 25 14.927 5.737 -3.916
5 HA ARG 25 HA ARG 25 15.112 5.562 -1.585
6 1HB ARG 25 2HB ARG 25 16.781 8.116 -1.776
7 2HB ARG 25 1HB ARG 25 16.704 7.029 -0.416
8 1HG ARG 25 2HG ARG 25 17.676 5.194 -1.717
9 2HG ARG 25 1HG ARG 25 17.668 6.165 -3.178
10 1HD ARG 25 2HD ARG 25 19.230 7.812 -2.020
11 2HD ARG 25 1HD ARG 25 19.259 6.741 -0.645
12 HE ARG 25 HE ARG 25 20.271 4.998 -1.974
13 1HH1 ARG 25 1HH2 ARG 25 20.210 8.119 -3.475
14 2HH1 ARG 25 2HH2 ARG 25 21.491 7.799 -4.556
15 1HH2 ARG 25 2HH1 ARG 25 21.924 4.506 -3.367
16 2HH2 ARG 25 1HH1 ARG 25 22.491 5.657 -4.499
17 H HIS 26 H HIS 26 12.835 6.545 -2.497
18 HA HIS 26 HA HIS 26 12.160 8.838 -0.742
19 1HB HIS 26 2HB HIS 26 10.597 7.743 -3.164
20 2HB HIS 26 1HB HIS 26 10.152 9.137 -2.204
21 HD1 HIS 26 HD1 HIS 26 10.503 9.592 -5.079
22 HD2 HIS 26 HD2 HIS 26 13.700 9.853 -2.430
23 HE1 HIS 26 HE1 HIS 26 12.293 11.009 -6.088
24 H TYR 27 H TYR 27 10.181 6.249 -2.127
25 HA TYR 27 HA TYR 27 9.529 5.362 0.654
26 1HB TYR 27 2HB TYR 27 7.795 6.554 -1.316
27 2HB TYR 27 1HB TYR 27 7.318 4.869 -1.116
28 HD1 TYR 27 HD1 TYR 27 8.571 7.656 1.082
29 HD2 TYR 27 HD2 TYR 27 5.734 4.511 0.609
30 HE1 TYR 27 HE1 TYR 27 7.610 8.200 3.253
31 HE2 TYR 27 HE2 TYR 27 4.773 5.064 2.795
32 HH TYR 27 HH TYR 27 5.584 7.917 4.509
33 H LYS 28 H LYS 28 11.407 4.444 -1.247
34 HA LYS 28 HA LYS 28 10.525 1.914 -2.362
35 1HB LYS 28 2HB LYS 28 12.929 1.525 -2.764
36 2HB LYS 28 1HB LYS 28 12.578 3.175 -3.199
37 1HG LYS 28 2HG LYS 28 13.529 3.962 -1.019
38 2HG LYS 28 1HG LYS 28 13.802 2.303 -0.546
39 1HD LYS 28 2HD LYS 28 15.242 2.070 -2.684
40 2HD LYS 28 1HD LYS 28 15.181 3.809 -2.805
41 1HE LYS 28 2HE LYS 28 17.207 3.067 -1.533
42 2HE LYS 28 1HE LYS 28 16.139 3.941 -0.428
43 HZ LYS 28 HZ LYS 28 15.230 1.720 0.259
44 H ASN 29 H ASN 29 11.774 3.135 0.519
45 HA ASN 29 HA ASN 29 12.776 1.478 2.258
46 1HB ASN 29 2HB ASN 29 10.174 3.034 2.693
47 2HB ASN 29 1HB ASN 29 11.028 2.247 4.008
48 1HD2 ASN 29 1HD2 ASN 29 10.964 5.203 2.146
49 2HD2 ASN 29 2HD2 ASN 29 12.431 5.783 2.732
50 H LEU 30 H LEU 30 9.421 1.161 1.584
51 HA LEU 30 HA LEU 30 8.484 -0.936 2.993
52 1HB LEU 30 2HB LEU 30 8.111 -0.297 0.048
53 2HB LEU 30 1HB LEU 30 7.340 -1.710 0.728
54 HG LEU 30 HG LEU 30 6.269 -0.290 2.468
55 1HD1 LEU 30 1HD1 LEU 30 7.354 2.076 0.871
56 2HD1 LEU 30 2HD1 LEU 30 7.806 1.660 2.524
57 3HD1 LEU 30 3HD1 LEU 30 6.182 2.176 2.163
58 1HD2 LEU 30 1HD2 LEU 30 5.725 0.527 -0.418
59 2HD2 LEU 30 2HD2 LEU 30 4.593 0.735 0.910
60 3HD2 LEU 30 3HD2 LEU 30 5.057 -0.877 0.400
61 H ILE 31 H ILE 31 10.534 -1.345 0.246
62 HA ILE 31 HA ILE 31 10.736 -4.272 0.792
63 HB ILE 31 HB ILE 31 11.699 -2.664 -1.651
64 1HG1 ILE 31 2HG1 ILE 31 9.226 -4.442 -1.324
65 2HG1 ILE 31 1HG1 ILE 31 9.196 -2.693 -1.361
66 1HG2 ILE 31 1HG2 ILE 31 12.958 -4.818 -1.287
67 2HG2 ILE 31 2HG2 ILE 31 11.967 -4.899 -2.721
68 3HG2 ILE 31 3HG2 ILE 31 11.434 -5.683 -1.247
69 1HD1 ILE 31 1HD1 ILE 31 10.131 -2.702 -3.681
70 2HD1 ILE 31 2HD1 ILE 31 8.622 -3.583 -3.577
71 3HD1 ILE 31 3HD1 ILE 31 10.126 -4.459 -3.672
72 H GLU 32 H GLU 32 12.770 -1.726 -0.137
73 HA GLU 32 HA GLU 32 15.319 -2.672 0.358
74 1HB GLU 32 2HB GLU 32 14.722 -0.290 -0.441
75 2HB GLU 32 1HB GLU 32 14.469 0.111 1.238
76 1HG GLU 32 2HG GLU 32 16.757 0.000 1.819
77 2HG GLU 32 1HG GLU 32 17.157 -1.139 0.541
78 H ARG 33 H ARG 33 13.060 -1.810 2.810
79 HA ARG 33 HA ARG 33 15.086 -2.243 4.952
80 1HB ARG 33 2HB ARG 33 13.508 -0.187 4.888
81 2HB ARG 33 1HB ARG 33 12.198 -1.293 5.225
82 1HG ARG 33 2HG ARG 33 13.558 -2.016 7.327
83 2HG ARG 33 1HG ARG 33 14.595 -0.640 6.995
84 1HD ARG 33 2HD ARG 33 12.513 0.827 6.974
85 2HD ARG 33 1HD ARG 33 11.574 -0.532 7.535
86 HE ARG 33 HE ARG 33 13.611 1.004 9.034
87 1HH1 ARG 33 1HH2 ARG 33 11.570 -1.764 8.951
88 2HH1 ARG 33 2HH2 ARG 33 11.545 -2.011 10.648
89 1HH2 ARG 33 2HH1 ARG 33 13.642 0.768 11.262
90 2HH2 ARG 33 1HH1 ARG 33 12.781 -0.508 11.996
91 H GLN 34 H GLN 34 12.371 -3.744 3.511
92 HA GLN 34 HA GLN 34 11.735 -5.498 5.735
93 1HB GLN 34 2HB GLN 34 10.101 -4.931 3.906
94 2HB GLN 34 1HB GLN 34 11.125 -5.726 2.728
95 1HG GLN 34 2HG GLN 34 9.811 -7.154 5.080
96 2HG GLN 34 1HG GLN 34 9.175 -7.145 3.446
97 1HE2 GLN 34 1HE2 GLN 34 10.745 -9.215 5.403
98 2HE2 GLN 34 2HE2 GLN 34 11.742 -9.975 4.258
99 H ARG 35 H ARG 35 13.494 -5.878 2.696
100 HA ARG 35 HA ARG 35 14.586 -8.480 3.634
101 1HB ARG 35 2HB ARG 35 13.743 -8.093 1.419
102 2HB ARG 35 1HB ARG 35 15.039 -6.960 1.042
103 1HG ARG 35 2HG ARG 35 16.732 -8.853 1.499
104 2HG ARG 35 1HG ARG 35 15.388 -9.948 1.731
105 1HD ARG 35 2HD ARG 35 16.290 -10.246 -0.509
106 2HD ARG 35 1HD ARG 35 14.674 -9.574 -0.660
107 HE ARG 35 HE ARG 35 15.851 -7.313 -0.787
108 1HH1 ARG 35 1HH2 ARG 35 17.371 -10.185 -2.011
109 2HH1 ARG 35 2HH2 ARG 35 18.357 -9.357 -3.138
110 1HH2 ARG 35 2HH1 ARG 35 17.084 -6.199 -2.181
111 2HH2 ARG 35 1HH1 ARG 35 18.173 -6.981 -3.244
112 H TYR 36 H TYR 36 15.244 -6.759 5.236
113 HA TYR 36 HA TYR 36 18.196 -6.309 4.836
114 1HB TYR 36 2HB TYR 36 16.721 -4.136 4.701
115 2HB TYR 36 1HB TYR 36 16.523 -4.322 6.439
116 HD1 TYR 36 HD1 TYR 36 19.091 -4.140 3.748
117 HD2 TYR 36 HD2 TYR 36 18.327 -3.617 7.908
118 HE1 TYR 36 HE1 TYR 36 21.320 -3.179 4.034
119 HE2 TYR 36 HE2 TYR 36 20.573 -2.645 8.185
120 HH TYR 36 HH TYR 36 22.518 -1.706 5.569
121 1HT TYR 36 1HT TYR 36 17.420 -8.608 6.126
122 2HT TYR 36 2HT TYR 36 17.651 -8.450 7.805
Start of MODEL 15
1 1H ACE 25 1HA ACE 25 9.000 5.725 -6.422
2 2H ACE 25 2HA ACE 25 10.124 4.440 -5.983
3 3H ACE 25 3HA ACE 25 10.268 5.236 -7.553
4 H ARG 25 H ARG 25 11.878 6.644 -7.595
5 HA ARG 25 HA ARG 25 13.566 8.113 -6.983
6 1HB ARG 25 2HB ARG 25 11.468 9.531 -6.774
7 2HB ARG 25 1HB ARG 25 11.400 9.158 -5.070
8 1HG ARG 25 2HG ARG 25 13.666 10.201 -4.750
9 2HG ARG 25 1HG ARG 25 13.733 10.564 -6.464
10 1HD ARG 25 2HD ARG 25 11.575 11.953 -6.153
11 2HD ARG 25 1HD ARG 25 11.727 11.644 -4.449
12 HE ARG 25 HE ARG 25 13.793 12.860 -4.348
13 1HH1 ARG 25 1HH2 ARG 25 12.170 13.093 -7.379
14 2HH1 ARG 25 2HH2 ARG 25 12.949 14.532 -7.879
15 1HH2 ARG 25 2HH1 ARG 25 14.866 14.727 -4.927
16 2HH2 ARG 25 1HH1 ARG 25 14.557 15.479 -6.429
17 H HIS 26 H HIS 26 12.082 7.903 -3.758
18 HA HIS 26 HA HIS 26 14.337 6.323 -2.739
19 1HB HIS 26 2HB HIS 26 14.916 8.893 -2.641
20 2HB HIS 26 1HB HIS 26 13.663 9.007 -1.415
21 HD1 HIS 26 HD1 HIS 26 14.133 6.814 0.456
22 HD2 HIS 26 HD2 HIS 26 17.277 8.698 -1.518
23 HE1 HIS 26 HE1 HIS 26 16.261 6.433 1.735
24 H TYR 27 H TYR 27 11.572 5.935 -3.203
25 HA TYR 27 HA TYR 27 10.529 5.666 -0.415
26 1HB TYR 27 2HB TYR 27 9.292 6.614 -2.944
27 2HB TYR 27 1HB TYR 27 8.306 5.452 -2.082
28 HD1 TYR 27 HD1 TYR 27 10.549 8.296 -1.016
29 HD2 TYR 27 HD2 TYR 27 6.690 6.515 -0.767
30 HE1 TYR 27 HE1 TYR 27 9.828 10.059 0.531
31 HE2 TYR 27 HE2 TYR 27 5.981 8.277 0.779
32 HH TYR 27 HH TYR 27 7.279 9.851 2.477
33 H LYS 28 H LYS 28 12.151 3.831 -2.043
34 HA LYS 28 HA LYS 28 10.328 1.554 -2.440
35 1HB LYS 28 2HB LYS 28 12.280 0.337 -3.125
36 2HB LYS 28 1HB LYS 28 12.385 1.897 -3.879
37 1HG LYS 28 2HG LYS 28 14.214 2.589 -2.525
38 2HG LYS 28 1HG LYS 28 13.881 1.386 -1.290
39 1HD LYS 28 2HD LYS 28 14.439 -0.427 -3.008
40 2HD LYS 28 1HD LYS 28 14.877 0.842 -4.133
41 1HE LYS 28 2HE LYS 28 16.821 -0.236 -2.807
42 2HE LYS 28 1HE LYS 28 16.767 1.524 -2.780
43 1HZ LYS 28 HZ LYS 28 15.606 1.355 -0.600
44 H ASN 29 H ASN 29 11.703 3.084 0.067
45 HA ASN 29 HA ASN 29 12.812 1.656 2.003
46 1HB ASN 29 2HB ASN 29 10.752 3.744 2.027
47 2HB ASN 29 1HB ASN 29 10.569 2.689 3.413
48 1HD2 ASN 29 1HD2 ASN 29 12.255 5.429 2.386
49 2HD2 ASN 29 2HD2 ASN 29 13.521 5.319 3.512
50 H LEU 30 H LEU 30 9.425 1.434 1.533
51 HA LEU 30 HA LEU 30 8.492 -0.423 3.291
52 1HB LEU 30 2HB LEU 30 7.870 -0.253 0.301
53 2HB LEU 30 1HB LEU 30 6.976 -1.287 1.385
54 HG LEU 30 HG LEU 30 6.324 0.677 2.760
55 1HD1 LEU 30 1HD1 LEU 30 7.669 2.365 0.597
56 2HD1 LEU 30 2HD1 LEU 30 8.115 2.309 2.308
57 3HD1 LEU 30 3HD1 LEU 30 6.588 2.981 1.827
58 1HD2 LEU 30 1HD2 LEU 30 4.704 1.625 1.107
59 2HD2 LEU 30 2HD2 LEU 30 4.828 -0.115 0.968
60 3HD2 LEU 30 3HD2 LEU 30 5.633 0.916 -0.199
61 H ILE 31 H ILE 31 10.245 -1.143 0.428
62 HA ILE 31 HA ILE 31 10.447 -4.020 1.178
63 HB ILE 31 HB ILE 31 11.325 -2.652 -1.421
64 1HG1 ILE 31 2HG1 ILE 31 8.785 -4.261 -0.824
65 2HG1 ILE 31 1HG1 ILE 31 8.822 -2.520 -1.008
66 1HG2 ILE 31 1HG2 ILE 31 12.452 -4.861 -0.905
67 2HG2 ILE 31 2HG2 ILE 31 11.407 -5.006 -2.295
68 3HG2 ILE 31 3HG2 ILE 31 10.880 -5.612 -0.738
69 1HD1 ILE 31 1HD1 ILE 31 9.645 -2.790 -3.362
70 2HD1 ILE 31 2HD1 ILE 31 8.099 -3.568 -3.103
71 3HD1 ILE 31 3HD1 ILE 31 9.550 -4.537 -3.184
72 H GLU 32 H GLU 32 12.267 -1.243 0.534
73 HA GLU 32 HA GLU 32 14.895 -2.174 0.562
74 1HB GLU 32 2HB GLU 32 14.123 0.362 0.553
75 2HB GLU 32 1HB GLU 32 14.280 0.249 2.304
76 1HG GLU 32 2HG GLU 32 16.465 1.021 1.450
77 2HG GLU 32 1HG GLU 32 16.703 -0.666 1.903
78 H ARG 33 H ARG 33 12.955 -1.555 3.445
79 HA ARG 33 HA ARG 33 15.131 -2.737 5.091
80 1HB ARG 33 2HB ARG 33 12.579 -1.274 5.798
81 2HB ARG 33 1HB ARG 33 13.696 -1.980 6.927
82 1HG ARG 33 2HG ARG 33 15.507 -0.527 5.558
83 2HG ARG 33 1HG ARG 33 14.094 0.392 5.072
84 1HD ARG 33 2HD ARG 33 15.039 -0.111 7.932
85 2HD ARG 33 1HD ARG 33 15.067 1.396 7.050
86 HE ARG 33 HE ARG 33 12.669 1.488 7.024
87 1HH1 ARG 33 1HH2 ARG 33 13.996 -0.931 9.167
88 2HH1 ARG 33 2HH2 ARG 33 12.627 -0.976 10.183
89 1HH2 ARG 33 2HH1 ARG 33 10.849 1.431 8.319
90 2HH2 ARG 33 1HH1 ARG 33 10.768 0.377 9.658
91 H GLN 34 H GLN 34 13.086 -4.070 3.324
92 HA GLN 34 HA GLN 34 11.813 -5.931 5.266
93 1HB GLN 34 2HB GLN 34 10.559 -5.071 3.181
94 2HB GLN 34 1HB GLN 34 11.741 -5.884 2.174
95 1HG GLN 34 2HG GLN 34 11.073 -8.085 3.213
96 2HG GLN 34 1HG GLN 34 9.797 -7.230 4.077
97 1HE2 GLN 34 1HE2 GLN 34 7.825 -7.395 2.896
98 2HE2 GLN 34 2HE2 GLN 34 7.768 -7.355 1.199
99 H ARG 35 H ARG 35 13.744 -6.018 2.309
100 HA ARG 35 HA ARG 35 14.936 -8.522 2.577
101 1HB ARG 35 2HB ARG 35 16.931 -7.563 1.296
102 2HB ARG 35 1HB ARG 35 15.380 -7.262 0.538
103 1HG ARG 35 2HG ARG 35 15.409 -4.954 1.039
104 2HG ARG 35 1HG ARG 35 16.499 -5.116 2.392
105 1HD ARG 35 2HD ARG 35 17.679 -4.092 0.566
106 2HD ARG 35 1HD ARG 35 18.373 -5.653 0.910
107 HE ARG 35 HE ARG 35 17.120 -6.611 -0.975
108 1HH1 ARG 35 1HH2 ARG 35 17.458 -3.140 -0.899
109 2HH1 ARG 35 2HH2 ARG 35 17.153 -2.929 -2.541
110 1HH2 ARG 35 2HH1 ARG 35 16.789 -6.367 -3.216
111 2HH2 ARG 35 1HH1 ARG 35 16.797 -4.795 -3.881
112 H TYR 36 H TYR 36 15.810 -5.650 3.939
113 HA TYR 36 HA TYR 36 17.593 -6.949 5.970
114 1HB TYR 36 2HB TYR 36 18.809 -5.495 4.057
115 2HB TYR 36 1HB TYR 36 18.105 -4.119 4.888
116 HD1 TYR 36 HD1 TYR 36 20.129 -7.208 5.596
117 HD2 TYR 36 HD2 TYR 36 19.299 -3.172 6.700
118 HE1 TYR 36 HE1 TYR 36 21.955 -7.271 7.214
119 HE2 TYR 36 HE2 TYR 36 21.143 -3.256 8.322
120 HH TYR 36 HH TYR 36 23.523 -5.293 8.284
121 1HT TYR 36 1HT TYR 36 15.026 -6.802 6.453
122 2HT TYR 36 2HT TYR 36 14.572 -5.429 7.355
Start of MODEL 16
1 1H ACE 25 1HA ACE 25 16.841 9.514 -0.102
2 2H ACE 25 2HA ACE 25 16.928 11.250 0.154
3 3H ACE 25 3HA ACE 25 16.669 10.616 -1.472
4 H ARG 25 H ARG 25 14.574 10.992 -2.069
5 HA ARG 25 HA ARG 25 12.423 10.706 0.005
6 1HB ARG 25 2HB ARG 25 11.141 12.390 -1.274
7 2HB ARG 25 1HB ARG 25 12.682 13.053 -0.781
8 1HG ARG 25 2HG ARG 25 13.601 12.709 -3.063
9 2HG ARG 25 1HG ARG 25 12.125 11.923 -3.591
10 1HD ARG 25 2HD ARG 25 10.892 14.070 -2.940
11 2HD ARG 25 1HD ARG 25 12.466 14.844 -2.808
12 HE ARG 25 HE ARG 25 12.869 14.005 -5.186
13 1HH1 ARG 25 1HH2 ARG 25 9.683 14.795 -4.055
14 2HH1 ARG 25 2HH2 ARG 25 9.082 15.201 -5.605
15 1HH2 ARG 25 2HH1 ARG 25 12.105 14.486 -7.230
16 2HH2 ARG 25 1HH1 ARG 25 10.489 14.994 -7.463
17 H HIS 26 H HIS 26 13.085 8.379 -1.047
18 HA HIS 26 HA HIS 26 11.136 7.931 -3.232
19 1HB HIS 26 2HB HIS 26 13.552 6.179 -2.579
20 2HB HIS 26 1HB HIS 26 12.540 6.082 -4.008
21 HD1 HIS 26 HD1 HIS 26 15.256 8.134 -2.513
22 HD2 HIS 26 HD2 HIS 26 12.914 8.047 -5.948
23 HE1 HIS 26 HE1 HIS 26 16.210 9.722 -4.199
24 H TYR 27 H TYR 27 9.933 5.988 -3.201
25 HA TYR 27 HA TYR 27 9.269 5.078 -0.440
26 1HB TYR 27 2HB TYR 27 7.790 5.245 -3.036
27 2HB TYR 27 1HB TYR 27 7.293 4.060 -1.852
28 HD1 TYR 27 HD1 TYR 27 8.325 7.716 -1.682
29 HD2 TYR 27 HD2 TYR 27 5.500 4.724 -0.564
30 HE1 TYR 27 HE1 TYR 27 7.038 9.386 -0.448
31 HE2 TYR 27 HE2 TYR 27 4.219 6.400 0.667
32 HH TYR 27 HH TYR 27 5.081 9.798 0.710
33 H LYS 28 H LYS 28 11.507 4.101 -1.771
34 HA LYS 28 HA LYS 28 11.015 1.354 -2.717
35 1HB LYS 28 2HB LYS 28 13.079 2.779 -3.380
36 2HB LYS 28 1HB LYS 28 13.677 2.587 -1.745
37 1HG LYS 28 2HG LYS 28 13.838 0.161 -2.025
38 2HG LYS 28 1HG LYS 28 13.028 0.232 -3.570
39 1HD LYS 28 2HD LYS 28 15.430 0.012 -3.935
40 2HD LYS 28 1HD LYS 28 14.941 1.603 -4.475
41 1HE LYS 28 2HE LYS 28 17.077 1.586 -3.108
42 2HE LYS 28 1HE LYS 28 15.839 2.621 -2.407
43 1HZ LYS 28 HZ LYS 28 16.275 -0.208 -1.513
44 H ASN 29 H ASN 29 11.908 3.043 0.082
45 HA ASN 29 HA ASN 29 12.752 1.624 2.109
46 1HB ASN 29 2HB ASN 29 10.273 3.369 2.034
47 2HB ASN 29 1HB ASN 29 10.813 2.665 3.554
48 1HD2 ASN 29 1HD2 ASN 29 11.445 5.317 1.333
49 2HD2 ASN 29 2HD2 ASN 29 12.874 5.778 2.110
50 H LEU 30 H LEU 30 9.407 1.316 1.469
51 HA LEU 30 HA LEU 30 8.405 -0.529 3.132
52 1HB LEU 30 2HB LEU 30 8.049 -0.388 0.115
53 2HB LEU 30 1HB LEU 30 7.127 -1.505 1.094
54 HG LEU 30 HG LEU 30 6.195 0.370 2.413
55 1HD1 LEU 30 1HD1 LEU 30 6.445 2.723 1.637
56 2HD1 LEU 30 2HD1 LEU 30 7.674 2.223 0.487
57 3HD1 LEU 30 3HD1 LEU 30 7.957 2.094 2.228
58 1HD2 LEU 30 1HD2 LEU 30 4.746 1.316 0.604
59 2HD2 LEU 30 2HD2 LEU 30 4.974 -0.410 0.426
60 3HD2 LEU 30 3HD2 LEU 30 5.865 0.699 -0.600
61 H ILE 31 H ILE 31 10.353 -1.309 0.411
62 HA ILE 31 HA ILE 31 10.556 -4.150 1.295
63 HB ILE 31 HB ILE 31 11.522 -2.948 -1.343
64 1HG1 ILE 31 2HG1 ILE 31 9.107 -2.498 -1.239
65 2HG1 ILE 31 1HG1 ILE 31 9.368 -3.832 -2.329
66 1HG2 ILE 31 1HG2 ILE 31 10.849 -5.823 -0.560
67 2HG2 ILE 31 2HG2 ILE 31 12.464 -5.183 -0.797
68 3HG2 ILE 31 3HG2 ILE 31 11.357 -5.291 -2.152
69 1HD1 ILE 31 1HD1 ILE 31 8.709 -5.451 -0.537
70 2HD1 ILE 31 2HD1 ILE 31 7.443 -4.280 -0.832
71 3HD1 ILE 31 3HD1 ILE 31 8.460 -4.125 0.583
72 H GLU 32 H GLU 32 12.324 -1.390 0.552
73 HA GLU 32 HA GLU 32 14.996 -2.208 0.670
74 1HB GLU 32 2HB GLU 32 13.871 0.212 0.419
75 2HB GLU 32 1HB GLU 32 14.236 0.300 2.136
76 1HG GLU 32 2HG GLU 32 16.456 0.692 1.783
77 2HG GLU 32 1HG GLU 32 16.601 -0.613 0.605
78 H ARG 33 H ARG 33 12.894 -1.592 3.421
79 HA ARG 33 HA ARG 33 15.102 -2.453 5.273
80 1HB ARG 33 2HB ARG 33 13.558 -0.342 5.712
81 2HB ARG 33 1HB ARG 33 12.349 -1.515 6.178
82 1HG ARG 33 2HG ARG 33 14.409 -2.491 7.687
83 2HG ARG 33 1HG ARG 33 14.989 -0.852 7.523
84 1HD ARG 33 2HD ARG 33 13.679 -1.008 9.624
85 2HD ARG 33 1HD ARG 33 12.810 -0.015 8.490
86 HE ARG 33 HE ARG 33 11.301 -1.804 8.003
87 1HH1 ARG 33 1HH2 ARG 33 13.554 -2.617 10.493
88 2HH1 ARG 33 2HH2 ARG 33 12.632 -3.927 11.093
89 1HH2 ARG 33 2HH1 ARG 33 10.082 -3.478 8.700
90 2HH2 ARG 33 1HH1 ARG 33 10.579 -4.440 10.023
91 H GLN 34 H GLN 34 12.922 -3.873 3.502
92 HA GLN 34 HA GLN 34 11.847 -5.835 5.437
93 1HB GLN 34 2HB GLN 34 10.539 -4.737 3.472
94 2HB GLN 34 1HB GLN 34 11.466 -5.777 2.410
95 1HG GLN 34 2HG GLN 34 10.496 -7.771 3.276
96 2HG GLN 34 1HG GLN 34 9.836 -6.952 4.688
97 1HE2 GLN 34 1HE2 GLN 34 7.908 -5.722 4.406
98 2HE2 GLN 34 2HE2 GLN 34 7.033 -5.710 2.952
99 H ARG 35 H ARG 35 13.729 -5.847 2.432
100 HA ARG 35 HA ARG 35 14.795 -8.553 3.177
101 1HB ARG 35 2HB ARG 35 14.941 -6.981 0.594
102 2HB ARG 35 1HB ARG 35 15.671 -8.556 0.872
103 1HG ARG 35 2HG ARG 35 13.042 -9.038 1.705
104 2HG ARG 35 1HG ARG 35 12.753 -7.851 0.450
105 1HD ARG 35 2HD ARG 35 14.292 -10.477 0.121
106 2HD ARG 35 1HD ARG 35 12.677 -10.079 -0.487
107 HE ARG 35 HE ARG 35 14.757 -8.210 -1.320
108 1HH1 ARG 35 1HH2 ARG 35 13.133 -11.143 -2.040
109 2HH1 ARG 35 2HH2 ARG 35 13.456 -11.130 -3.723
110 1HH2 ARG 35 2HH1 ARG 35 15.217 -8.061 -3.508
111 2HH2 ARG 35 1HH1 ARG 35 14.708 -9.295 -4.582
112 H TYR 36 H TYR 36 15.626 -6.830 4.742
113 HA TYR 36 HA TYR 36 18.514 -6.432 4.133
114 1HB TYR 36 2HB TYR 36 17.386 -4.211 3.902
115 2HB TYR 36 1HB TYR 36 16.636 -4.410 5.479
116 HD1 TYR 36 HD1 TYR 36 20.117 -4.746 4.069
117 HD2 TYR 36 HD2 TYR 36 17.664 -3.152 7.164
118 HE1 TYR 36 HE1 TYR 36 22.094 -3.775 5.143
119 HE2 TYR 36 HE2 TYR 36 19.643 -2.180 8.226
120 HH TYR 36 HH TYR 36 22.093 -2.565 8.284
121 1HT TYR 36 1HT TYR 36 19.599 -5.900 6.544
122 2HT TYR 36 2HT TYR 36 19.041 -6.977 7.737
Start of MODEL 17
1 1H ACE 25 1HA ACE 25 4.965 -0.659 -8.666
2 2H ACE 25 2HA ACE 25 4.168 -0.661 -7.099
3 3H ACE 25 3HA ACE 25 5.176 -2.028 -7.571
4 H ARG 25 H ARG 25 6.823 0.496 -8.742
5 HA ARG 25 HA ARG 25 8.543 0.621 -6.316
6 1HB ARG 25 2HB ARG 25 8.991 1.362 -9.249
7 2HB ARG 25 1HB ARG 25 10.184 1.663 -8.014
8 1HG ARG 25 2HG ARG 25 9.000 -1.119 -8.484
9 2HG ARG 25 1HG ARG 25 10.413 -0.567 -9.353
10 1HD ARG 25 2HD ARG 25 10.165 -0.783 -6.297
11 2HD ARG 25 1HD ARG 25 11.074 -1.862 -7.330
12 HE ARG 25 HE ARG 25 12.476 0.034 -8.041
13 1HH1 ARG 25 1HH2 ARG 25 10.757 0.420 -5.081
14 2HH1 ARG 25 2HH2 ARG 25 11.830 1.580 -4.423
15 1HH2 ARG 25 2HH1 ARG 25 13.866 1.553 -7.316
16 2HH2 ARG 25 1HH1 ARG 25 13.691 2.249 -5.771
17 H HIS 26 H HIS 26 6.472 1.829 -5.756
18 HA HIS 26 HA HIS 26 6.697 4.724 -6.309
19 1HB HIS 26 2HB HIS 26 4.545 3.281 -4.647
20 2HB HIS 26 1HB HIS 26 4.450 4.905 -5.303
21 HD1 HIS 26 HD1 HIS 26 4.701 4.889 -8.093
22 HD2 HIS 26 HD2 HIS 26 3.405 1.436 -6.173
23 HE1 HIS 26 HE1 HIS 26 3.569 3.410 -9.753
24 H TYR 27 H TYR 27 6.917 2.289 -3.851
25 HA TYR 27 HA TYR 27 8.105 4.236 -1.964
26 1HB TYR 27 2HB TYR 27 6.586 1.659 -1.325
27 2HB TYR 27 1HB TYR 27 7.178 2.830 -0.171
28 HD1 TYR 27 HD1 TYR 27 6.324 5.400 -0.852
29 HD2 TYR 27 HD2 TYR 27 4.253 1.761 -1.648
30 HE1 TYR 27 HE1 TYR 27 4.210 6.621 -0.967
31 HE2 TYR 27 HE2 TYR 27 2.143 2.996 -1.754
32 HH TYR 27 HH TYR 27 1.350 5.265 -2.160
33 H LYS 28 H LYS 28 10.153 3.668 -1.469
34 HA LYS 28 HA LYS 28 11.227 1.080 -2.539
35 1HB LYS 28 2HB LYS 28 12.425 3.231 -3.242
36 2HB LYS 28 1HB LYS 28 12.783 3.542 -1.561
37 1HG LYS 28 2HG LYS 28 14.011 1.368 -1.402
38 2HG LYS 28 1HG LYS 28 13.748 1.075 -3.102
39 1HD LYS 28 2HD LYS 28 15.091 3.035 -3.696
40 2HD LYS 28 1HD LYS 28 15.170 3.546 -2.021
41 1HE LYS 28 2HE LYS 28 16.372 0.959 -3.132
42 2HE LYS 28 1HE LYS 28 17.264 2.393 -2.630
43 1HZ LYS 28 HZ LYS 28 16.201 2.007 -0.337
44 H ASN 29 H ASN 29 11.695 3.105 0.310
45 HA ASN 29 HA ASN 29 13.048 1.538 2.072
46 1HB ASN 29 2HB ASN 29 11.812 3.822 2.517
47 2HB ASN 29 1HB ASN 29 10.456 2.828 3.030
48 1HD2 ASN 29 1HD2 ASN 29 13.069 4.408 4.275
49 2HD2 ASN 29 2HD2 ASN 29 13.326 3.426 5.636
50 H LEU 30 H LEU 30 9.643 1.364 1.674
51 HA LEU 30 HA LEU 30 8.685 -0.614 3.242
52 1HB LEU 30 2HB LEU 30 7.695 0.706 1.061
53 2HB LEU 30 1HB LEU 30 7.951 -0.858 0.325
54 HG LEU 30 HG LEU 30 6.321 -0.360 2.834
55 1HD1 LEU 30 1HD1 LEU 30 5.234 0.587 0.838
56 2HD1 LEU 30 2HD1 LEU 30 4.362 -0.837 1.366
57 3HD1 LEU 30 3HD1 LEU 30 5.425 -0.927 -0.028
58 1HD2 LEU 30 1HD2 LEU 30 7.209 -2.692 2.777
59 2HD2 LEU 30 2HD2 LEU 30 6.610 -2.890 1.135
60 3HD2 LEU 30 3HD2 LEU 30 5.493 -2.710 2.478
61 H ILE 31 H ILE 31 10.485 -1.112 0.354
62 HA ILE 31 HA ILE 31 10.592 -4.041 0.700
63 HB ILE 31 HB ILE 31 11.722 -2.214 -1.493
64 1HG1 ILE 31 2HG1 ILE 31 9.171 -3.911 -1.616
65 2HG1 ILE 31 1HG1 ILE 31 9.133 -2.224 -1.183
66 1HG2 ILE 31 1HG2 ILE 31 11.242 -5.236 -1.478
67 2HG2 ILE 31 2HG2 ILE 31 12.816 -4.468 -1.373
68 3HG2 ILE 31 3HG2 ILE 31 11.864 -4.310 -2.831
69 1HD1 ILE 31 1HD1 ILE 31 10.161 -1.608 -3.353
70 2HD1 ILE 31 2HD1 ILE 31 8.665 -2.491 -3.566
71 3HD1 ILE 31 3HD1 ILE 31 10.194 -3.299 -3.828
72 H GLU 32 H GLU 32 12.694 -1.428 0.241
73 HA GLU 32 HA GLU 32 15.239 -2.435 0.633
74 1HB GLU 32 2HB GLU 32 14.312 0.119 0.428
75 2HB GLU 32 1HB GLU 32 14.722 0.135 2.125
76 1HG GLU 32 2HG GLU 32 16.850 0.732 1.327
77 2HG GLU 32 1HG GLU 32 17.038 -0.999 1.090
78 H ARG 33 H ARG 33 13.032 -1.747 3.241
79 HA ARG 33 HA ARG 33 15.036 -2.609 5.277
80 1HB ARG 33 2HB ARG 33 13.714 -0.419 5.457
81 2HB ARG 33 1HB ARG 33 12.275 -1.382 5.685
82 1HG ARG 33 2HG ARG 33 13.244 -2.382 7.771
83 2HG ARG 33 1HG ARG 33 14.733 -1.490 7.493
84 1HD ARG 33 2HD ARG 33 13.362 0.652 7.544
85 2HD ARG 33 1HD ARG 33 11.970 -0.291 8.012
86 HE ARG 33 HE ARG 33 14.539 -0.140 9.575
87 1HH1 ARG 33 1HH2 ARG 33 11.095 -0.413 9.555
88 2HH1 ARG 33 2HH2 ARG 33 10.924 -0.352 11.262
89 1HH2 ARG 33 2HH1 ARG 33 14.389 -0.112 11.781
90 2HH2 ARG 33 1HH1 ARG 33 12.873 -0.221 12.559
91 H GLN 34 H GLN 34 12.627 -3.912 3.496
92 HA GLN 34 HA GLN 34 11.689 -5.855 5.538
93 1HB GLN 34 2HB GLN 34 10.112 -4.778 3.958
94 2HB GLN 34 1HB GLN 34 11.006 -5.365 2.568
95 1HG GLN 34 2HG GLN 34 10.356 -7.715 3.141
96 2HG GLN 34 1HG GLN 34 9.554 -7.144 4.592
97 1HE2 GLN 34 1HE2 GLN 34 8.712 -4.658 2.674
98 2HE2 GLN 34 2HE2 GLN 34 7.346 -5.337 1.917
99 H ARG 35 H ARG 35 13.639 -5.456 2.648
100 HA ARG 35 HA ARG 35 14.645 -8.245 2.695
101 1HB ARG 35 2HB ARG 35 15.377 -5.803 1.036
102 2HB ARG 35 1HB ARG 35 16.228 -7.311 0.940
103 1HG ARG 35 2HG ARG 35 13.251 -7.298 0.446
104 2HG ARG 35 1HG ARG 35 14.294 -6.679 -0.814
105 1HD ARG 35 2HD ARG 35 15.588 -9.076 -0.263
106 2HD ARG 35 1HD ARG 35 13.953 -9.504 0.173
107 HE ARG 35 HE ARG 35 13.194 -8.768 -2.064
108 1HH1 ARG 35 1HH2 ARG 35 16.603 -9.477 -1.693
109 2HH1 ARG 35 2HH2 ARG 35 16.865 -9.704 -3.358
110 1HH2 ARG 35 2HH1 ARG 35 13.526 -9.114 -4.241
111 2HH2 ARG 35 1HH1 ARG 35 15.073 -9.530 -4.838
112 H TYR 36 H TYR 36 15.069 -7.116 5.028
113 HA TYR 36 HA TYR 36 18.026 -6.518 5.087
114 1HB TYR 36 2HB TYR 36 16.387 -4.572 5.731
115 2HB TYR 36 1HB TYR 36 16.145 -5.457 7.233
116 HD1 TYR 36 HD1 TYR 36 18.418 -6.239 8.471
117 HD2 TYR 36 HD2 TYR 36 18.211 -3.112 5.570
118 HE1 TYR 36 HE1 TYR 36 20.533 -5.345 9.280
119 HE2 TYR 36 HE2 TYR 36 20.331 -2.219 6.405
120 HH TYR 36 HH TYR 36 21.959 -3.526 9.222
121 1HT TYR 36 1HT TYR 36 15.425 -7.786 7.265
122 2HT TYR 36 2HT TYR 36 16.468 -8.904 8.020
Start of MODEL 18
1 1H ACE 25 1HA ACE 25 4.373 13.635 -3.052
2 2H ACE 25 2HA ACE 25 5.381 12.451 -2.216
3 3H ACE 25 3HA ACE 25 3.701 12.686 -1.725
4 H ARG 25 H ARG 25 5.653 10.664 -3.376
5 HA ARG 25 HA ARG 25 3.394 9.587 -5.012
6 1HB ARG 25 2HB ARG 25 6.363 9.906 -5.773
7 2HB ARG 25 1HB ARG 25 5.239 8.904 -6.691
8 1HG ARG 25 2HG ARG 25 3.771 10.857 -7.094
9 2HG ARG 25 1HG ARG 25 4.770 11.873 -6.096
10 1HD ARG 25 2HD ARG 25 5.727 10.546 -8.659
11 2HD ARG 25 1HD ARG 25 5.158 12.200 -8.559
12 HE ARG 25 HE ARG 25 6.976 12.624 -6.883
13 1HH1 ARG 25 1HH2 ARG 25 7.355 10.068 -9.198
14 2HH1 ARG 25 2HH2 ARG 25 9.062 10.085 -9.150
15 1HH2 ARG 25 2HH1 ARG 25 9.193 12.689 -6.785
16 2HH2 ARG 25 1HH1 ARG 25 10.138 11.636 -7.740
17 H HIS 26 H HIS 26 6.518 7.993 -4.899
18 HA HIS 26 HA HIS 26 5.543 6.237 -2.742
19 1HB HIS 26 2HB HIS 26 6.109 4.196 -3.982
20 2HB HIS 26 1HB HIS 26 5.035 5.142 -4.986
21 HD1 HIS 26 HD1 HIS 26 6.698 3.098 -6.331
22 HD2 HIS 26 HD2 HIS 26 8.052 6.995 -5.786
23 HE1 HIS 26 HE1 HIS 26 8.461 3.598 -8.024
24 H TYR 27 H TYR 27 7.400 4.652 -2.059
25 HA TYR 27 HA TYR 27 10.052 5.829 -2.353
26 1HB TYR 27 2HB TYR 27 10.268 5.569 0.171
27 2HB TYR 27 1HB TYR 27 9.114 6.818 -0.254
28 HD1 TYR 27 HD1 TYR 27 6.601 6.159 -0.270
29 HD2 TYR 27 HD2 TYR 27 9.610 3.690 1.416
30 HE1 TYR 27 HE1 TYR 27 4.889 4.923 0.959
31 HE2 TYR 27 HE2 TYR 27 7.879 2.443 2.667
32 HH TYR 27 HH TYR 27 4.468 3.155 2.334
33 H LYS 28 H LYS 28 11.565 4.142 -1.381
34 HA LYS 28 HA LYS 28 10.653 1.465 -2.253
35 1HB LYS 28 2HB LYS 28 13.029 0.989 -2.486
36 2HB LYS 28 1HB LYS 28 12.583 2.417 -3.392
37 1HG LYS 28 2HG LYS 28 13.481 3.827 -1.457
38 2HG LYS 28 1HG LYS 28 13.990 2.342 -0.682
39 1HD LYS 28 2HD LYS 28 15.165 1.944 -3.092
40 2HD LYS 28 1HD LYS 28 15.039 3.691 -3.172
41 1HE LYS 28 2HE LYS 28 17.198 2.991 -2.169
42 2HE LYS 28 1HE LYS 28 16.241 3.838 -0.949
43 1HZ LYS 28 HZ LYS 28 16.234 0.858 -1.250
44 H ASN 29 H ASN 29 11.457 3.069 0.614
45 HA ASN 29 HA ASN 29 12.647 1.396 2.391
46 1HB ASN 29 2HB ASN 29 11.382 3.524 3.098
47 2HB ASN 29 1HB ASN 29 9.916 2.556 3.126
48 1HD2 ASN 29 1HD2 ASN 29 9.555 1.209 4.940
49 2HD2 ASN 29 2HD2 ASN 29 10.678 1.083 6.204
50 H LEU 30 H LEU 30 9.331 1.068 1.508
51 HA LEU 30 HA LEU 30 8.309 -1.056 2.828
52 1HB LEU 30 2HB LEU 30 8.180 -0.362 -0.109
53 2HB LEU 30 1HB LEU 30 7.456 -1.872 0.393
54 HG LEU 30 HG LEU 30 6.745 0.784 1.750
55 1HD1 LEU 30 1HD1 LEU 30 6.166 0.859 -0.694
56 2HD1 LEU 30 2HD1 LEU 30 4.730 0.762 0.303
57 3HD1 LEU 30 3HD1 LEU 30 5.316 -0.668 -0.532
58 1HD2 LEU 30 1HD2 LEU 30 4.777 -0.532 2.485
59 2HD2 LEU 30 2HD2 LEU 30 6.230 -1.361 2.995
60 3HD2 LEU 30 3HD2 LEU 30 5.344 -1.935 1.597
61 H ILE 31 H ILE 31 10.563 -1.418 0.212
62 HA ILE 31 HA ILE 31 10.865 -4.309 0.882
63 HB ILE 31 HB ILE 31 11.805 -2.741 -1.580
64 1HG1 ILE 31 2HG1 ILE 31 9.513 -4.746 -1.206
65 2HG1 ILE 31 1HG1 ILE 31 9.303 -3.019 -1.368
66 1HG2 ILE 31 1HG2 ILE 31 11.789 -5.742 -1.040
67 2HG2 ILE 31 2HG2 ILE 31 13.244 -4.756 -1.049
68 3HG2 ILE 31 3HG2 ILE 31 12.340 -4.982 -2.527
69 1HD1 ILE 31 1HD1 ILE 31 10.325 -3.114 -3.662
70 2HD1 ILE 31 2HD1 ILE 31 8.882 -4.093 -3.525
71 3HD1 ILE 31 3HD1 ILE 31 10.456 -4.859 -3.515
72 H GLU 32 H GLU 32 12.723 -1.618 0.029
73 HA GLU 32 HA GLU 32 15.339 -2.302 0.501
74 1HB GLU 32 2HB GLU 32 14.574 -0.066 -0.261
75 2HB GLU 32 1HB GLU 32 14.078 0.316 1.375
76 1HG GLU 32 2HG GLU 32 16.437 0.320 2.157
77 2HG GLU 32 1HG GLU 32 16.993 -0.301 0.600
78 H ARG 33 H ARG 33 13.124 -1.486 3.098
79 HA ARG 33 HA ARG 33 15.302 -2.063 5.072
80 1HB ARG 33 2HB ARG 33 13.645 0.051 5.017
81 2HB ARG 33 1HB ARG 33 12.548 -1.052 5.821
82 1HG ARG 33 2HG ARG 33 14.253 -1.418 7.625
83 2HG ARG 33 1HG ARG 33 15.357 -0.334 6.796
84 1HD ARG 33 2HD ARG 33 13.586 1.490 6.935
85 2HD ARG 33 1HD ARG 33 12.635 0.452 7.961
86 HE ARG 33 HE ARG 33 15.372 1.532 8.588
87 1HH1 ARG 33 1HH2 ARG 33 12.379 0.209 9.726
88 2HH1 ARG 33 2HH2 ARG 33 12.702 0.526 11.378
89 1HH2 ARG 33 2HH1 ARG 33 15.852 1.936 10.706
90 2HH2 ARG 33 1HH1 ARG 33 14.760 1.493 11.940
91 H GLN 34 H GLN 34 12.779 -3.576 3.571
92 HA GLN 34 HA GLN 34 12.021 -5.384 5.770
93 1HB GLN 34 2HB GLN 34 10.338 -4.389 4.204
94 2HB GLN 34 1HB GLN 34 11.067 -5.258 2.876
95 1HG GLN 34 2HG GLN 34 10.520 -7.433 4.010
96 2HG GLN 34 1HG GLN 34 9.789 -6.544 5.336
97 1HE2 GLN 34 1HE2 GLN 34 7.557 -6.106 5.064
98 2HE2 GLN 34 2HE2 GLN 34 6.743 -6.209 3.576
99 H ARG 35 H ARG 35 13.450 -5.750 2.541
100 HA ARG 35 HA ARG 35 14.060 -8.587 3.110
101 1HB ARG 35 2HB ARG 35 14.837 -6.860 0.696
102 2HB ARG 35 1HB ARG 35 15.035 -8.597 0.797
103 1HG ARG 35 2HG ARG 35 12.485 -8.764 1.145
104 2HG ARG 35 1HG ARG 35 12.390 -7.052 0.823
105 1HD ARG 35 2HD ARG 35 11.906 -8.116 -1.250
106 2HD ARG 35 1HD ARG 35 13.536 -7.514 -1.441
107 HE ARG 35 HE ARG 35 14.356 -9.818 -0.843
108 1HH1 ARG 35 1HH2 ARG 35 11.149 -9.423 -2.116
109 2HH1 ARG 35 2HH2 ARG 35 11.058 -10.994 -2.757
110 1HH2 ARG 35 2HH1 ARG 35 14.269 -11.906 -1.653
111 2HH2 ARG 35 1HH1 ARG 35 12.872 -12.458 -2.468
112 H TYR 36 H TYR 36 15.435 -5.622 3.239
113 HA TYR 36 HA TYR 36 18.101 -6.676 4.116
114 1HB TYR 36 2HB TYR 36 17.431 -4.116 2.572
115 2HB TYR 36 1HB TYR 36 18.979 -4.370 3.331
116 HD1 TYR 36 HD1 TYR 36 20.262 -6.573 2.643
117 HD2 TYR 36 HD2 TYR 36 17.070 -4.877 0.387
118 HE1 TYR 36 HE1 TYR 36 21.012 -7.792 0.665
119 HE2 TYR 36 HE2 TYR 36 17.824 -6.098 -1.595
120 HH TYR 36 HH TYR 36 20.786 -7.920 -1.660
121 1HT TYR 36 1HT TYR 36 16.117 -6.575 5.952
122 2HT TYR 36 2HT TYR 36 16.239 -5.199 6.937
Start of MODEL 19
1 1H ACE 25 1HA ACE 25 2.251 -3.390 -4.366
2 2H ACE 25 2HA ACE 25 1.342 -3.006 -2.901
3 3H ACE 25 3HA ACE 25 2.236 -4.517 -3.004
4 H ARG 25 H ARG 25 4.153 -2.276 -4.465
5 HA ARG 25 HA ARG 25 5.566 -1.649 -1.892
6 1HB ARG 25 2HB ARG 25 7.668 -1.676 -3.290
7 2HB ARG 25 1HB ARG 25 6.899 -3.243 -3.099
8 1HG ARG 25 2HG ARG 25 5.965 -3.144 -5.355
9 2HG ARG 25 1HG ARG 25 6.395 -1.447 -5.524
10 1HD ARG 25 2HD ARG 25 8.776 -1.976 -5.493
11 2HD ARG 25 1HD ARG 25 8.427 -3.652 -5.090
12 HE ARG 25 HE ARG 25 7.518 -2.338 -7.641
13 1HH1 ARG 25 1HH2 ARG 25 8.964 -5.039 -6.010
14 2HH1 ARG 25 2HH2 ARG 25 9.093 -6.003 -7.414
15 1HH2 ARG 25 2HH1 ARG 25 7.675 -3.550 -9.492
16 2HH2 ARG 25 1HH1 ARG 25 8.340 -5.120 -9.441
17 H HIS 26 H HIS 26 3.844 0.111 -2.353
18 HA HIS 26 HA HIS 26 3.824 2.168 -4.067
19 1HB HIS 26 2HB HIS 26 3.924 2.556 -1.039
20 2HB HIS 26 1HB HIS 26 3.224 3.680 -2.192
21 HD1 HIS 26 HD1 HIS 26 1.374 2.293 -3.849
22 HD2 HIS 26 HD2 HIS 26 2.083 0.941 0.023
23 HE1 HIS 26 HE1 HIS 26 -0.524 0.855 -3.124
24 H TYR 27 H TYR 27 6.346 2.058 -1.582
25 HA TYR 27 HA TYR 27 7.857 4.114 -3.106
26 1HB TYR 27 2HB TYR 27 6.852 4.223 -0.396
27 2HB TYR 27 1HB TYR 27 8.583 4.079 -0.256
28 HD1 TYR 27 HD1 TYR 27 6.176 5.877 -2.514
29 HD2 TYR 27 HD2 TYR 27 9.674 6.147 -0.091
30 HE1 TYR 27 HE1 TYR 27 6.366 8.246 -3.046
31 HE2 TYR 27 HE2 TYR 27 9.857 8.519 -0.634
32 HH TYR 27 HH TYR 27 7.364 10.269 -2.206
33 H LYS 28 H LYS 28 10.110 4.005 -1.620
34 HA LYS 28 HA LYS 28 11.328 1.493 -2.598
35 1HB LYS 28 2HB LYS 28 12.467 3.663 -3.051
36 2HB LYS 28 1HB LYS 28 12.623 3.985 -1.340
37 1HG LYS 28 2HG LYS 28 13.909 1.660 -1.291
38 2HG LYS 28 1HG LYS 28 14.012 1.874 -3.028
39 1HD LYS 28 2HD LYS 28 15.118 4.056 -2.716
40 2HD LYS 28 1HD LYS 28 14.992 3.901 -0.975
41 1HE LYS 28 2HE LYS 28 16.677 2.232 -2.877
42 2HE LYS 28 1HE LYS 28 17.216 3.182 -1.499
43 1HZ LYS 28 HZ LYS 28 15.680 0.634 -1.338
44 H ASN 29 H ASN 29 11.920 3.313 0.440
45 HA ASN 29 HA ASN 29 12.947 1.602 2.153
46 1HB ASN 29 2HB ASN 29 10.495 3.317 2.658
47 2HB ASN 29 1HB ASN 29 11.167 2.350 3.961
48 1HD2 ASN 29 1HD2 ASN 29 12.749 3.507 5.163
49 2HD2 ASN 29 2HD2 ASN 29 13.712 4.726 4.473
50 H LEU 30 H LEU 30 9.589 1.360 1.526
51 HA LEU 30 HA LEU 30 8.558 -0.617 3.028
52 1HB LEU 30 2HB LEU 30 8.271 -0.289 0.019
53 2HB LEU 30 1HB LEU 30 7.391 -1.528 0.879
54 HG LEU 30 HG LEU 30 6.375 0.209 2.347
55 1HD1 LEU 30 1HD1 LEU 30 8.031 2.023 2.178
56 2HD1 LEU 30 2HD1 LEU 30 6.486 2.606 1.626
57 3HD1 LEU 30 3HD1 LEU 30 7.719 2.173 0.450
58 1HD2 LEU 30 1HD2 LEU 30 5.178 -0.637 0.390
59 2HD2 LEU 30 2HD2 LEU 30 5.975 0.522 -0.650
60 3HD2 LEU 30 3HD2 LEU 30 4.824 1.072 0.567
61 H ILE 31 H ILE 31 10.590 -1.242 0.297
62 HA ILE 31 HA ILE 31 10.731 -4.129 1.078
63 HB ILE 31 HB ILE 31 11.715 -2.768 -1.482
64 1HG1 ILE 31 2HG1 ILE 31 9.248 -2.678 -1.324
65 2HG1 ILE 31 1HG1 ILE 31 9.763 -3.739 -2.610
66 1HG2 ILE 31 1HG2 ILE 31 11.456 -5.737 -0.815
67 2HG2 ILE 31 2HG2 ILE 31 12.956 -4.857 -1.011
68 3HG2 ILE 31 3HG2 ILE 31 11.896 -5.082 -2.387
69 1HD1 ILE 31 1HD1 ILE 31 9.329 -5.737 -1.142
70 2HD1 ILE 31 2HD1 ILE 31 7.898 -4.747 -1.317
71 3HD1 ILE 31 3HD1 ILE 31 8.830 -4.663 0.157
72 H GLU 32 H GLU 32 12.694 -1.515 0.191
73 HA GLU 32 HA GLU 32 15.284 -2.483 0.538
74 1HB GLU 32 2HB GLU 32 14.541 -0.087 -0.125
75 2HB GLU 32 1HB GLU 32 14.426 0.248 1.586
76 1HG GLU 32 2HG GLU 32 16.789 0.009 1.941
77 2HG GLU 32 1HG GLU 32 17.021 -0.857 0.432
78 H ARG 33 H ARG 33 12.960 -1.870 2.958
79 HA ARG 33 HA ARG 33 14.892 -2.396 5.139
80 1HB ARG 33 2HB ARG 33 13.418 -0.362 5.304
81 2HB ARG 33 1HB ARG 33 12.001 -1.402 5.283
82 1HG ARG 33 2HG ARG 33 12.700 -2.486 7.372
83 2HG ARG 33 1HG ARG 33 14.237 -1.654 7.355
84 1HD ARG 33 2HD ARG 33 13.079 0.513 7.714
85 2HD ARG 33 1HD ARG 33 11.509 -0.293 7.696
86 HE ARG 33 HE ARG 33 12.291 -1.675 9.603
87 1HH1 ARG 33 1HH2 ARG 33 13.883 1.409 9.124
88 2HH1 ARG 33 2HH2 ARG 33 14.417 1.501 10.740
89 1HH2 ARG 33 2HH1 ARG 33 12.955 -1.540 11.657
90 2HH2 ARG 33 1HH1 ARG 33 13.862 -0.200 12.229
91 H GLN 34 H GLN 34 12.286 -3.991 3.526
92 HA GLN 34 HA GLN 34 11.807 -5.890 5.754
93 1HB GLN 34 2HB GLN 34 11.026 -6.145 2.784
94 2HB GLN 34 1HB GLN 34 10.633 -7.334 3.995
95 1HG GLN 34 2HG GLN 34 9.652 -4.740 4.920
96 2HG GLN 34 1HG GLN 34 9.119 -5.043 3.276
97 1HE2 GLN 34 1HE2 GLN 34 8.147 -5.635 6.441
98 2HE2 GLN 34 2HE2 GLN 34 7.145 -6.972 6.107
99 H ARG 35 H ARG 35 13.496 -5.976 2.647
100 HA ARG 35 HA ARG 35 14.866 -8.487 3.561
101 1HB ARG 35 2HB ARG 35 14.912 -7.124 0.873
102 2HB ARG 35 1HB ARG 35 15.584 -8.695 1.249
103 1HG ARG 35 2HG ARG 35 13.115 -9.288 2.076
104 2HG ARG 35 1HG ARG 35 12.619 -7.914 1.124
105 1HD ARG 35 2HD ARG 35 13.996 -10.444 0.108
106 2HD ARG 35 1HD ARG 35 12.355 -9.952 -0.194
107 HE ARG 35 HE ARG 35 13.139 -8.057 -1.518
108 1HH1 ARG 35 1HH2 ARG 35 15.487 -10.513 -0.839
109 2HH1 ARG 35 2HH2 ARG 35 16.498 -10.120 -2.156
110 1HH2 ARG 35 2HH1 ARG 35 14.406 -7.508 -3.245
111 2HH2 ARG 35 1HH1 ARG 35 15.874 -8.340 -3.548
112 H TYR 36 H TYR 36 15.631 -6.841 5.051
113 HA TYR 36 HA TYR 36 18.281 -5.742 4.166
114 1HB TYR 36 2HB TYR 36 16.520 -3.956 4.810
115 2HB TYR 36 1HB TYR 36 16.542 -4.597 6.440
116 HD1 TYR 36 HD1 TYR 36 18.648 -3.096 3.792
117 HD2 TYR 36 HD2 TYR 36 18.375 -3.993 7.944
118 HE1 TYR 36 HE1 TYR 36 20.656 -1.774 4.205
119 HE2 TYR 36 HE2 TYR 36 20.397 -2.658 8.354
120 HH TYR 36 HH TYR 36 22.290 -1.269 5.755
121 1HT TYR 36 1HT TYR 36 19.833 -5.684 6.255
122 2HT TYR 36 2HT TYR 36 19.666 -7.027 7.287
Start of MODEL 20
1 1H ACE 25 1HA ACE 25 3.567 9.245 -2.522
2 2H ACE 25 2HA ACE 25 3.652 10.821 -3.306
3 3H ACE 25 3HA ACE 25 5.123 9.877 -3.056
4 H ARG 25 H ARG 25 5.790 8.813 -4.853
5 HA ARG 25 HA ARG 25 3.744 8.161 -6.956
6 1HB ARG 25 2HB ARG 25 5.628 9.758 -7.571
7 2HB ARG 25 1HB ARG 25 6.787 8.476 -7.269
8 1HG ARG 25 2HG ARG 25 5.686 7.069 -9.026
9 2HG ARG 25 1HG ARG 25 4.525 8.350 -9.314
10 1HD ARG 25 2HD ARG 25 6.503 9.888 -9.914
11 2HD ARG 25 1HD ARG 25 7.537 8.499 -9.757
12 HE ARG 25 HE ARG 25 6.404 7.384 -11.562
13 1HH1 ARG 25 1HH2 ARG 25 5.560 10.724 -11.173
14 2HH1 ARG 25 2HH2 ARG 25 5.006 10.928 -12.773
15 1HH2 ARG 25 2HH1 ARG 25 5.669 7.586 -13.661
16 2HH2 ARG 25 1HH1 ARG 25 5.056 9.075 -14.227
17 H HIS 26 H HIS 26 6.887 6.946 -5.828
18 HA HIS 26 HA HIS 26 5.787 4.201 -5.858
19 1HB HIS 26 2HB HIS 26 8.586 5.196 -6.599
20 2HB HIS 26 1HB HIS 26 8.255 3.516 -6.251
21 HD1 HIS 26 HD1 HIS 26 9.298 3.684 -8.797
22 HD2 HIS 26 HD2 HIS 26 5.274 4.556 -8.244
23 HE1 HIS 26 HE1 HIS 26 8.099 3.438 -10.982
24 H TYR 27 H TYR 27 6.946 2.820 -4.245
25 HA TYR 27 HA TYR 27 7.910 4.413 -1.926
26 1HB TYR 27 2HB TYR 27 6.287 1.839 -1.893
27 2HB TYR 27 1HB TYR 27 6.770 2.757 -0.497
28 HD1 TYR 27 HD1 TYR 27 6.083 5.498 -0.930
29 HD2 TYR 27 HD2 TYR 27 3.971 2.055 -2.308
30 HE1 TYR 27 HE1 TYR 27 4.032 6.805 -1.084
31 HE2 TYR 27 HE2 TYR 27 1.920 3.390 -2.460
32 HH TYR 27 HH TYR 27 1.677 6.289 -2.779
33 H LYS 28 H LYS 28 9.983 3.840 -1.592
34 HA LYS 28 HA LYS 28 11.004 1.249 -2.708
35 1HB LYS 28 2HB LYS 28 12.206 3.240 -3.461
36 2HB LYS 28 1HB LYS 28 12.423 3.816 -1.821
37 1HG LYS 28 2HG LYS 28 13.818 1.716 -1.371
38 2HG LYS 28 1HG LYS 28 13.686 1.338 -3.075
39 1HD LYS 28 2HD LYS 28 14.865 3.352 -3.702
40 2HD LYS 28 1HD LYS 28 14.776 3.997 -2.074
41 1HE LYS 28 2HE LYS 28 16.293 1.472 -2.896
42 2HE LYS 28 1HE LYS 28 17.016 3.021 -2.476
43 1HZ LYS 28 HZ LYS 28 15.942 2.734 -0.200
44 H ASN 29 H ASN 29 11.550 3.254 0.138
45 HA ASN 29 HA ASN 29 12.820 1.832 1.969
46 1HB ASN 29 2HB ASN 29 11.534 3.933 2.521
47 2HB ASN 29 1HB ASN 29 10.054 2.992 2.595
48 1HD2 ASN 29 1HD2 ASN 29 12.237 4.335 4.642
49 2HD2 ASN 29 2HD2 ASN 29 12.125 3.209 5.910
50 H LEU 30 H LEU 30 9.465 1.243 1.618
51 HA LEU 30 HA LEU 30 8.768 -0.763 3.228
52 1HB LEU 30 2HB LEU 30 7.669 0.302 1.008
53 2HB LEU 30 1HB LEU 30 8.158 -1.216 0.302
54 HG LEU 30 HG LEU 30 6.429 -0.947 2.778
55 1HD1 LEU 30 1HD1 LEU 30 5.672 -1.566 -0.119
56 2HD1 LEU 30 2HD1 LEU 30 5.288 -0.092 0.746
57 3HD1 LEU 30 3HD1 LEU 30 4.575 -1.608 1.249
58 1HD2 LEU 30 1HD2 LEU 30 7.608 -3.162 2.692
59 2HD2 LEU 30 2HD2 LEU 30 7.075 -3.396 1.042
60 3HD2 LEU 30 3HD2 LEU 30 5.912 -3.365 2.355
61 H ILE 31 H ILE 31 10.620 -1.287 0.334
62 HA ILE 31 HA ILE 31 11.031 -4.146 0.964
63 HB ILE 31 HB ILE 31 12.142 -2.529 -1.395
64 1HG1 ILE 31 2HG1 ILE 31 9.550 -4.164 -1.221
65 2HG1 ILE 31 1HG1 ILE 31 9.627 -2.421 -1.318
66 1HG2 ILE 31 1HG2 ILE 31 11.703 -5.535 -1.025
67 2HG2 ILE 31 2HG2 ILE 31 13.266 -4.732 -0.964
68 3HG2 ILE 31 3HG2 ILE 31 12.368 -4.767 -2.458
69 1HD1 ILE 31 1HD1 ILE 31 10.616 -4.316 -3.490
70 2HD1 ILE 31 2HD1 ILE 31 10.724 -2.562 -3.543
71 3HD1 ILE 31 3HD1 ILE 31 9.163 -3.343 -3.535
72 H GLU 32 H GLU 32 12.781 -1.327 0.419
73 HA GLU 32 HA GLU 32 15.453 -1.907 0.757
74 1HB GLU 32 2HB GLU 32 14.089 0.462 0.682
75 2HB GLU 32 1HB GLU 32 14.453 0.453 2.387
76 1HG GLU 32 2HG GLU 32 16.388 1.571 1.575
77 2HG GLU 32 1HG GLU 32 16.976 -0.081 1.418
78 H ARG 33 H ARG 33 13.104 -1.572 3.268
79 HA ARG 33 HA ARG 33 15.003 -2.424 5.395
80 1HB ARG 33 2HB ARG 33 13.649 -0.346 5.626
81 2HB ARG 33 1HB ARG 33 12.184 -1.294 5.574
82 1HG ARG 33 2HG ARG 33 12.973 -2.537 7.662
83 2HG ARG 33 1HG ARG 33 14.357 -1.471 7.708
84 1HD ARG 33 2HD ARG 33 12.971 0.441 8.119
85 2HD ARG 33 1HD ARG 33 11.484 -0.381 7.734
86 HE ARG 33 HE ARG 33 13.161 -0.724 10.163
87 1HH1 ARG 33 1HH2 ARG 33 10.437 -1.763 8.322
88 2HH1 ARG 33 2HH2 ARG 33 9.658 -2.571 9.605
89 1HH2 ARG 33 2HH1 ARG 33 12.212 -1.745 11.885
90 2HH2 ARG 33 1HH1 ARG 33 10.711 -2.543 11.725
91 H GLN 34 H GLN 34 12.649 -3.860 3.493
92 HA GLN 34 HA GLN 34 11.828 -5.821 5.580
93 1HB GLN 34 2HB GLN 34 10.156 -4.966 3.907
94 2HB GLN 34 1HB GLN 34 11.065 -5.685 2.602
95 1HG GLN 34 2HG GLN 34 10.686 -7.955 3.788
96 2HG GLN 34 1HG GLN 34 9.640 -7.089 4.903
97 1HE2 GLN 34 1HE2 GLN 34 9.410 -8.978 2.217
98 2HE2 GLN 34 2HE2 GLN 34 7.991 -8.324 1.545
99 H ARG 35 H ARG 35 13.306 -5.863 2.417
100 HA ARG 35 HA ARG 35 14.154 -8.542 2.306
101 1HB ARG 35 2HB ARG 35 14.351 -6.613 0.494
102 2HB ARG 35 1HB ARG 35 15.823 -6.183 1.315
103 1HG ARG 35 2HG ARG 35 16.653 -7.541 -0.372
104 2HG ARG 35 1HG ARG 35 16.532 -8.688 0.940
105 1HD ARG 35 2HD ARG 35 14.382 -8.291 -1.182
106 2HD ARG 35 1HD ARG 35 15.576 -9.536 -1.268
107 HE ARG 35 HE ARG 35 13.392 -9.271 0.771
108 1HH1 ARG 35 1HH2 ARG 35 15.829 -11.185 -0.746
109 2HH1 ARG 35 2HH2 ARG 35 15.290 -12.682 -0.128
110 1HH2 ARG 35 2HH1 ARG 35 12.659 -11.226 1.691
111 2HH2 ARG 35 1HH1 ARG 35 13.442 -12.701 1.325
112 H TYR 36 H TYR 36 15.482 -5.890 3.690
113 HA TYR 36 HA TYR 36 17.513 -7.409 5.285
114 1HB TYR 36 2HB TYR 36 17.673 -4.430 4.569
115 2HB TYR 36 1HB TYR 36 18.970 -5.444 5.166
116 HD1 TYR 36 HD1 TYR 36 17.463 -4.102 2.252
117 HD2 TYR 36 HD2 TYR 36 19.586 -7.525 3.634
118 HE1 TYR 36 HE1 TYR 36 18.051 -4.663 -0.054
119 HE2 TYR 36 HE2 TYR 36 20.175 -8.082 1.323
120 HH TYR 36 HH TYR 36 20.115 -6.082 -1.124
121 1HT TYR 36 1HT TYR 36 14.904 -7.334 6.106
122 2HT TYR 36 2HT TYR 36 14.696 -6.217 7.367