Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
589074 | 2n0n RC | 26537 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 12.283 -8.197 1.610
2 H2 HIS 1 HT2 HIS 1 12.245 -7.045 2.848
3 H3 HIS 1 HT3 HIS 1 13.404 -6.929 1.621
4 HA HIS 1 HA HIS 1 11.814 -5.330 1.078
5 HB2 HIS 1 HB2 HIS 1 11.296 -7.888 -0.456
6 HB3 HIS 1 HB1 HIS 1 10.802 -6.288 -0.998
7 HD1 HIS 1 HD1 HIS 1 12.848 -8.200 -2.493
8 HD2 HIS 1 HD2 HIS 1 13.826 -4.949 -0.097
9 HE1 HIS 1 HE1 HIS 1 15.138 -7.478 -3.241
10 HE2 HIS 1 HE2 HIS 1 15.746 -5.566 -1.716
11 H AIB 2 HN AIB 2 9.884 -8.314 0.865
12 HB11 AIB 2 HB11 AIB 2 6.719 -9.475 1.989
13 HB12 AIB 2 HB12 AIB 2 8.380 -9.915 1.590
14 HB13 AIB 2 HB13 AIB 2 7.336 -9.203 0.360
15 HB21 AIB 2 HB21 AIB 2 6.234 -6.701 1.777
16 HB22 AIB 2 HB22 AIB 2 6.844 -7.158 0.186
17 HB23 AIB 2 HB23 AIB 2 7.622 -5.858 1.089
18 H GLU 3 HN GLU 3 9.944 -8.114 3.496
19 HA GLU 3 HA GLU 3 8.686 -8.627 5.873
20 HB2 GLU 3 HB2 GLU 3 11.297 -7.440 5.123
21 HB3 GLU 3 HB1 GLU 3 10.784 -7.213 6.790
22 HG2 GLU 3 HG2 GLU 3 12.212 -9.191 6.470
23 HG3 GLU 3 HG1 GLU 3 10.621 -9.582 7.122
24 H GLY 4 HN GLY 4 9.004 -5.562 4.241
25 HA2 GLY 4 HA2 GLY 4 8.445 -3.850 6.407
26 HA3 GLY 4 HA1 GLY 4 8.174 -3.474 4.713
27 H LYS 5 HN LYS 5 6.387 -5.951 4.590
28 HA LYS 5 HA LYS 5 3.939 -4.643 4.859
29 HB2 LYS 5 HB2 LYS 5 3.069 -6.507 3.935
30 HB3 LYS 5 HB1 LYS 5 4.746 -6.989 3.739
31 HG2 LYS 5 HG2 LYS 5 3.846 -8.869 4.684
32 HG3 LYS 5 HG1 LYS 5 4.425 -8.022 6.119
33 HD2 LYS 5 HD2 LYS 5 1.870 -7.018 5.732
34 HD3 LYS 5 HD1 LYS 5 1.717 -8.731 5.340
35 HE2 LYS 5 HE2 LYS 5 1.706 -9.227 7.503
36 HE3 LYS 5 HE1 LYS 5 3.308 -8.512 7.679
37 HZ1 LYS 5 HZ1 LYS 5 2.241 -6.426 8.239
38 H PHE 6 HN PHE 6 5.779 -6.548 7.145
39 HA PHE 6 HA PHE 6 3.859 -7.107 9.062
40 HB2 PHE 6 HB2 PHE 6 6.613 -7.359 8.871
41 HB3 PHE 6 HB1 PHE 6 6.396 -6.274 10.241
42 HD1 PHE 6 HD2 PHE 6 4.816 -9.391 8.920
43 HD2 PHE 6 HD1 PHE 6 6.322 -7.278 12.293
44 HE1 PHE 6 HE2 PHE 6 4.295 -11.320 10.356
45 HE2 PHE 6 HE1 PHE 6 5.804 -9.203 13.736
46 HZ PHE 6 HZ PHE 6 4.789 -11.227 12.768
47 H THR 7 HN THR 7 5.751 -4.162 8.586
48 HA THR 7 HA THR 7 4.568 -2.838 10.854
49 HB THR 7 HB THR 7 5.716 -0.806 9.503
50 HG1 THR 7 HG1 THR 7 7.356 -3.019 8.819
51 HG21 THR 7 HG21 THR 7 7.680 -2.562 10.833
52 HG22 THR 7 HG22 THR 7 6.245 -2.163 11.777
53 HG23 THR 7 HG23 THR 7 7.272 -0.875 11.146
54 H SER 8 HN SER 8 3.894 -3.151 7.472
55 HA SER 8 HA SER 8 2.404 -0.816 7.041
56 HB2 SER 8 HB2 SER 8 2.054 -3.541 5.768
57 HB3 SER 8 HB1 SER 8 1.404 -2.026 5.143
58 HG SER 8 HG SER 8 4.139 -2.716 5.453
59 H GLU 9 HN GLU 9 1.387 -4.039 8.138
60 HA GLU 9 HA GLU 9 -1.345 -3.160 8.489
61 HB2 GLU 9 HB2 GLU 9 -1.831 -5.418 9.130
62 HB3 GLU 9 HB1 GLU 9 -0.757 -5.473 7.740
63 HG2 GLU 9 HG2 GLU 9 1.011 -5.541 9.811
64 HG3 GLU 9 HG1 GLU 9 -0.359 -6.433 10.470
65 H PHE 10 HN PHE 10 1.477 -3.768 10.482
66 HA PHE 10 HA PHE 10 0.206 -3.741 12.993
67 HB2 PHE 10 HB2 PHE 10 2.974 -3.451 11.993
68 HB3 PHE 10 HB1 PHE 10 2.659 -2.742 13.574
69 HD1 PHE 10 HD2 PHE 10 1.784 -5.887 11.758
70 HD2 PHE 10 HD1 PHE 10 3.152 -4.080 15.360
71 HE1 PHE 10 HE2 PHE 10 1.990 -8.111 12.791
72 HE2 PHE 10 HE1 PHE 10 3.361 -6.300 16.399
73 HZ PHE 10 HZ PHE 10 2.779 -8.319 15.114
74 HN PH8 11 HN PH8 11 1.900 -1.130 11.259
75 HA PH8 11 HA PH8 11 0.244 0.799 12.743
76 HZ PH8 11 HZ PH8 11 6.216 -0.054 17.131
77 HB PH8 11 HB2 PH8 11 2.119 2.340 12.838
78 HBA PH8 11 HB1 PH8 11 2.563 0.815 13.592
79 HD1 PH8 11 HD1 PH8 11 4.535 -2.101 13.791
80 HD2 PH8 11 HD2 PH8 11 5.393 2.058 13.521
81 HE1 PH8 11 HE1 PH8 11 5.368 -2.127 16.106
82 HE2 PH8 11 HE2 PH8 11 6.228 2.040 15.836
83 HI PH8 11 HI2 PH8 11 3.213 1.124 10.724
84 HIA PH8 11 HI1 PH8 11 4.138 2.096 11.871
85 HJ PH8 11 HJ1 PH8 11 5.250 -0.025 11.423
86 HJA PH8 11 HJ2 PH8 11 3.809 -0.901 11.934
87 HN1 NH2 12 H1 PHE 11 -0.110 -0.424 10.114
88 HN2 NH2 12 H2 PHE 11 -0.110 0.865 8.965
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 8.857 -4.363 -0.766
2 H2 HIS 1 HT2 HIS 1 9.055 -5.893 -1.459
3 H3 HIS 1 HT3 HIS 1 9.956 -5.461 -0.095
4 HA HIS 1 HA HIS 1 7.770 -5.189 1.102
5 HB2 HIS 1 HB2 HIS 1 6.635 -5.294 -1.252
6 HB3 HIS 1 HB1 HIS 1 6.734 -7.037 -1.026
7 HD1 HIS 1 HD1 HIS 1 4.721 -8.014 0.010
8 HD2 HIS 1 HD2 HIS 1 5.257 -4.050 1.135
9 HE1 HIS 1 HE1 HIS 1 2.745 -7.454 1.461
10 HE2 HIS 1 HE2 HIS 1 3.049 -5.026 2.063
11 H AIB 2 HN AIB 2 8.365 -6.409 2.763
12 HB11 AIB 2 HB11 AIB 2 10.088 -9.498 1.549
13 HB12 AIB 2 HB12 AIB 2 10.689 -9.617 3.203
14 HB13 AIB 2 HB13 AIB 2 10.907 -8.124 2.291
15 HB21 AIB 2 HB21 AIB 2 7.074 -9.410 3.480
16 HB22 AIB 2 HB22 AIB 2 8.343 -10.502 2.925
17 HB23 AIB 2 HB23 AIB 2 7.498 -9.473 1.769
18 H GLU 3 HN GLU 3 10.826 -7.295 4.213
19 HA GLU 3 HA GLU 3 10.089 -7.990 6.883
20 HB2 GLU 3 HB2 GLU 3 12.030 -5.816 6.117
21 HB3 GLU 3 HB1 GLU 3 12.024 -6.807 7.570
22 HG2 GLU 3 HG2 GLU 3 12.697 -7.688 4.775
23 HG3 GLU 3 HG1 GLU 3 13.801 -7.525 6.140
24 H GLY 4 HN GLY 4 9.584 -5.226 4.805
25 HA2 GLY 4 HA2 GLY 4 8.697 -3.477 6.902
26 HA3 GLY 4 HA1 GLY 4 8.540 -3.198 5.175
27 H LYS 5 HN LYS 5 7.237 -6.061 5.231
28 HA LYS 5 HA LYS 5 4.589 -5.180 5.042
29 HB2 LYS 5 HB2 LYS 5 4.241 -7.236 4.221
30 HB3 LYS 5 HB1 LYS 5 5.958 -7.513 4.457
31 HG2 LYS 5 HG2 LYS 5 4.979 -9.354 5.456
32 HG3 LYS 5 HG1 LYS 5 5.286 -8.286 6.824
33 HD2 LYS 5 HD2 LYS 5 2.777 -7.519 5.974
34 HD3 LYS 5 HD1 LYS 5 2.764 -9.268 5.742
35 HE2 LYS 5 HE2 LYS 5 2.451 -9.556 7.920
36 HE3 LYS 5 HE1 LYS 5 3.972 -8.730 8.253
37 HZ1 LYS 5 HZ1 LYS 5 2.738 -6.672 8.435
38 H PHE 6 HN PHE 6 6.376 -6.595 7.729
39 HA PHE 6 HA PHE 6 4.314 -7.138 9.488
40 HB2 PHE 6 HB2 PHE 6 7.102 -7.060 9.615
41 HB3 PHE 6 HB1 PHE 6 6.570 -5.947 10.871
42 HD1 PHE 6 HD2 PHE 6 4.104 -7.198 11.809
43 HD2 PHE 6 HD1 PHE 6 7.825 -8.956 10.723
44 HE1 PHE 6 HE2 PHE 6 3.634 -9.101 13.296
45 HE2 PHE 6 HE1 PHE 6 7.361 -10.863 12.208
46 HZ PHE 6 HZ PHE 6 5.264 -10.937 13.497
47 H THR 7 HN THR 7 6.141 -4.095 9.189
48 HA THR 7 HA THR 7 4.402 -2.719 11.015
49 HB THR 7 HB THR 7 6.130 -1.147 9.187
50 HG1 THR 7 HG1 THR 7 7.993 -1.802 10.424
51 HG21 THR 7 HG21 THR 7 5.105 0.062 10.935
52 HG22 THR 7 HG22 THR 7 6.777 -0.166 11.448
53 HG23 THR 7 HG23 THR 7 5.500 -1.174 12.129
54 H SER 8 HN SER 8 4.211 -3.519 7.730
55 HA SER 8 HA SER 8 2.844 -1.206 6.780
56 HB2 SER 8 HB2 SER 8 2.668 -2.321 4.753
57 HB3 SER 8 HB1 SER 8 4.068 -3.123 5.463
58 HG SER 8 HG SER 8 2.440 -4.685 6.288
59 H GLU 9 HN GLU 9 1.830 -4.297 8.145
60 HA GLU 9 HA GLU 9 -0.977 -3.620 7.783
61 HB2 GLU 9 HB2 GLU 9 -1.462 -5.840 8.577
62 HB3 GLU 9 HB1 GLU 9 -0.170 -5.939 7.389
63 HG2 GLU 9 HG2 GLU 9 1.239 -5.713 9.701
64 HG3 GLU 9 HG1 GLU 9 -0.176 -6.618 10.234
65 H PHE 10 HN PHE 10 1.416 -3.861 10.336
66 HA PHE 10 HA PHE 10 -0.378 -3.635 12.517
67 HB2 PHE 10 HB2 PHE 10 2.086 -4.377 12.539
68 HB3 PHE 10 HB1 PHE 10 2.472 -2.659 12.553
69 HD1 PHE 10 HD1 PHE 10 1.086 -1.293 14.388
70 HD2 PHE 10 HD2 PHE 10 1.998 -5.446 14.561
71 HE1 PHE 10 HE1 PHE 10 0.810 -1.248 16.832
72 HE2 PHE 10 HE2 PHE 10 1.723 -5.409 17.006
73 HZ PHE 10 HZ PHE 10 1.128 -3.308 18.144
74 HN PH8 11 HN PH8 11 1.335 -1.298 10.529
75 HA PH8 11 HA PH8 11 -0.406 0.806 11.566
76 HZ PH8 11 HZ PH8 11 2.875 5.703 17.302
77 HB PH8 11 HB2 PH8 11 1.840 0.806 12.781
78 HBA PH8 11 HB1 PH8 11 2.555 1.279 11.246
79 HD1 PH8 11 HD1 PH8 11 0.893 2.173 15.968
80 HD2 PH8 11 HD2 PH8 11 1.566 5.385 13.258
81 HE1 PH8 11 HE1 PH8 11 1.988 3.452 17.762
82 HE2 PH8 11 HE2 PH8 11 2.663 6.670 15.047
83 HI PH8 11 HI2 PH8 11 2.259 3.308 12.282
84 HIA PH8 11 HI1 PH8 11 0.793 3.185 11.307
85 HJ PH8 11 HJ1 PH8 11 0.263 1.925 13.780
86 HJA PH8 11 HJ2 PH8 11 -0.433 3.412 13.140
87 HN1 NH2 12 H1 PHE 11 -0.283 -0.711 9.096
88 HN2 NH2 12 H2 PHE 11 -0.014 0.422 7.821
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 8.676 -7.187 -1.162
2 H2 HIS 1 HT2 HIS 1 9.512 -5.980 -0.324
3 H3 HIS 1 HT3 HIS 1 8.255 -5.562 -1.375
4 HA HIS 1 HA HIS 1 7.696 -5.489 1.050
5 HB2 HIS 1 HB2 HIS 1 6.152 -5.832 -1.038
6 HB3 HIS 1 HB1 HIS 1 5.974 -7.467 -0.410
7 HD1 HIS 1 HD1 HIS 1 6.163 -4.423 1.798
8 HD2 HIS 1 HD2 HIS 1 3.363 -7.177 0.442
9 HE1 HIS 1 HE1 HIS 1 4.086 -3.990 3.148
10 HE2 HIS 1 HE2 HIS 1 2.434 -5.727 2.372
11 H AIB 2 HN AIB 2 8.301 -6.451 2.873
12 HB11 AIB 2 HB11 AIB 2 9.311 -10.016 2.230
13 HB12 AIB 2 HB12 AIB 2 10.153 -9.829 3.768
14 HB13 AIB 2 HB13 AIB 2 10.406 -8.655 2.477
15 HB21 AIB 2 HB21 AIB 2 7.287 -10.047 2.754
16 HB22 AIB 2 HB22 AIB 2 6.423 -8.783 3.629
17 HB23 AIB 2 HB23 AIB 2 7.398 -9.959 4.512
18 H GLU 3 HN GLU 3 10.707 -7.380 4.195
19 HA GLU 3 HA GLU 3 10.454 -7.534 6.997
20 HB2 GLU 3 HB2 GLU 3 12.147 -5.554 5.471
21 HB3 GLU 3 HB1 GLU 3 12.418 -6.158 7.100
22 HG2 GLU 3 HG2 GLU 3 13.438 -8.009 6.378
23 HG3 GLU 3 HG1 GLU 3 12.292 -8.248 5.060
24 H GLY 4 HN GLY 4 9.479 -5.118 4.662
25 HA2 GLY 4 HA2 GLY 4 8.846 -3.172 6.719
26 HA3 GLY 4 HA1 GLY 4 8.590 -2.983 4.993
27 H LYS 5 HN LYS 5 7.208 -5.705 5.013
28 HA LYS 5 HA LYS 5 4.576 -4.793 5.104
29 HB2 LYS 5 HB2 LYS 5 5.313 -6.859 3.938
30 HB3 LYS 5 HB1 LYS 5 5.511 -7.641 5.501
31 HG2 LYS 5 HG2 LYS 5 2.896 -6.524 5.374
32 HG3 LYS 5 HG1 LYS 5 3.186 -7.459 3.907
33 HD2 LYS 5 HD2 LYS 5 2.205 -8.857 5.643
34 HD3 LYS 5 HD1 LYS 5 3.846 -9.386 5.269
35 HE2 LYS 5 HE2 LYS 5 3.547 -9.422 7.650
36 HE3 LYS 5 HE1 LYS 5 4.651 -8.112 7.239
37 HZ1 LYS 5 HZ1 LYS 5 3.198 -6.817 8.424
38 H PHE 6 HN PHE 6 6.514 -6.436 7.556
39 HA PHE 6 HA PHE 6 4.736 -7.075 9.494
40 HB2 PHE 6 HB2 PHE 6 7.445 -6.860 9.402
41 HB3 PHE 6 HB1 PHE 6 7.052 -5.564 10.527
42 HD1 PHE 6 HD2 PHE 6 6.449 -9.176 9.894
43 HD2 PHE 6 HD1 PHE 6 6.665 -6.038 12.760
44 HE1 PHE 6 HE2 PHE 6 6.233 -10.824 11.709
45 HE2 PHE 6 HE1 PHE 6 6.451 -7.680 14.580
46 HZ PHE 6 HZ PHE 6 6.233 -10.076 14.055
47 H THR 7 HN THR 7 6.197 -3.852 9.123
48 HA THR 7 HA THR 7 4.372 -2.704 11.043
49 HB THR 7 HB THR 7 6.807 -1.988 10.666
50 HG1 THR 7 HG1 THR 7 6.269 0.117 11.300
51 HG21 THR 7 HG21 THR 7 5.982 -1.562 8.083
52 HG22 THR 7 HG22 THR 7 7.441 -0.896 8.814
53 HG23 THR 7 HG23 THR 7 5.963 0.064 8.765
54 H SER 8 HN SER 8 4.570 -3.057 7.602
55 HA SER 8 HA SER 8 2.963 -0.940 6.756
56 HB2 SER 8 HB2 SER 8 4.329 -2.643 5.364
57 HB3 SER 8 HB1 SER 8 2.878 -3.643 5.436
58 HG SER 8 HG SER 8 1.963 -2.379 4.029
59 H GLU 9 HN GLU 9 2.052 -4.232 7.745
60 HA GLU 9 HA GLU 9 -0.761 -3.573 7.452
61 HB2 GLU 9 HB2 GLU 9 -1.203 -5.894 7.981
62 HB3 GLU 9 HB1 GLU 9 0.050 -5.792 6.752
63 HG2 GLU 9 HG2 GLU 9 1.470 -5.838 9.113
64 HG3 GLU 9 HG1 GLU 9 0.133 -6.948 9.408
65 H PHE 10 HN PHE 10 1.592 -4.081 10.017
66 HA PHE 10 HA PHE 10 -0.206 -4.237 12.174
67 HB2 PHE 10 HB2 PHE 10 2.674 -3.681 11.842
68 HB3 PHE 10 HB1 PHE 10 1.949 -3.000 13.292
69 HD1 PHE 10 HD1 PHE 10 1.222 -6.198 11.537
70 HD2 PHE 10 HD2 PHE 10 2.708 -4.300 15.044
71 HE1 PHE 10 HE1 PHE 10 1.384 -8.388 12.649
72 HE2 PHE 10 HE2 PHE 10 2.874 -6.486 16.162
73 HZ PHE 10 HZ PHE 10 2.212 -8.533 14.964
74 HN PH8 11 HN PH8 11 1.499 -1.450 10.783
75 HA PH8 11 HA PH8 11 -0.421 0.317 12.149
76 HZ PH8 11 HZ PH8 11 7.836 1.154 15.651
77 HB PH8 11 HB2 PH8 11 2.251 1.169 11.050
78 HBA PH8 11 HB1 PH8 11 1.224 2.024 12.193
79 HD1 PH8 11 HD1 PH8 11 4.480 3.481 14.429
80 HD2 PH8 11 HD2 PH8 11 4.141 -0.752 14.712
81 HE1 PH8 11 HE1 PH8 11 6.829 3.345 15.148
82 HE2 PH8 11 HE2 PH8 11 6.489 -0.896 15.432
83 HI PH8 11 HI2 PH8 11 1.715 -0.329 13.500
84 HIA PH8 11 HI1 PH8 11 3.236 -0.035 12.653
85 HJ PH8 11 HJ1 PH8 11 2.092 1.322 14.951
86 HJA PH8 11 HJ2 PH8 11 2.552 2.445 13.672
87 HN1 NH2 12 H1 PHE 11 1.015 -0.576 9.115
88 HN2 NH2 12 H2 PHE 11 0.049 0.447 8.115
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 6.963 -5.363 1.791
2 H2 HIS 1 HT2 HIS 1 7.107 -4.049 0.736
3 H3 HIS 1 HT3 HIS 1 8.345 -4.387 1.838
4 HA HIS 1 HA HIS 1 7.586 -5.869 -0.595
5 HB2 HIS 1 HB2 HIS 1 9.427 -3.910 -0.129
6 HB3 HIS 1 HB1 HIS 1 10.399 -5.354 0.135
7 HD1 HIS 1 HD1 HIS 1 9.071 -3.217 -2.496
8 HD2 HIS 1 HD2 HIS 1 10.412 -7.138 -2.185
9 HE1 HIS 1 HE1 HIS 1 9.515 -3.965 -4.856
10 HE2 HIS 1 HE2 HIS 1 10.406 -6.312 -4.636
11 H AIB 2 HN AIB 2 8.645 -6.247 2.663
12 HB11 AIB 2 HB11 AIB 2 11.211 -7.858 2.275
13 HB12 AIB 2 HB12 AIB 2 10.505 -9.257 1.467
14 HB13 AIB 2 HB13 AIB 2 11.012 -9.375 3.152
15 HB21 AIB 2 HB21 AIB 2 8.488 -9.829 1.556
16 HB22 AIB 2 HB22 AIB 2 7.225 -9.008 2.474
17 HB23 AIB 2 HB23 AIB 2 8.285 -10.169 3.275
18 H GLU 3 HN GLU 3 10.944 -7.068 4.239
19 HA GLU 3 HA GLU 3 10.089 -7.945 6.822
20 HB2 GLU 3 HB2 GLU 3 12.453 -7.114 5.914
21 HB3 GLU 3 HB1 GLU 3 11.868 -5.575 6.533
22 HG2 GLU 3 HG2 GLU 3 11.316 -7.216 8.616
23 HG3 GLU 3 HG1 GLU 3 12.769 -7.969 7.962
24 H GLY 4 HN GLY 4 9.513 -5.135 4.835
25 HA2 GLY 4 HA2 GLY 4 8.467 -3.490 6.927
26 HA3 GLY 4 HA1 GLY 4 8.295 -3.211 5.201
27 H LYS 5 HN LYS 5 7.197 -6.181 5.299
28 HA LYS 5 HA LYS 5 4.504 -5.513 5.031
29 HB2 LYS 5 HB2 LYS 5 4.487 -7.577 4.185
30 HB3 LYS 5 HB1 LYS 5 6.105 -7.849 4.807
31 HG2 LYS 5 HG2 LYS 5 4.763 -9.620 5.597
32 HG3 LYS 5 HG1 LYS 5 5.035 -8.555 6.975
33 HD2 LYS 5 HD2 LYS 5 2.747 -7.512 5.946
34 HD3 LYS 5 HD1 LYS 5 2.548 -9.221 5.555
35 HE2 LYS 5 HE2 LYS 5 1.936 -9.617 7.652
36 HE3 LYS 5 HE1 LYS 5 3.516 -9.070 8.209
37 HZ1 LYS 5 HZ1 LYS 5 2.573 -6.844 8.425
38 H PHE 6 HN PHE 6 6.247 -6.857 7.815
39 HA PHE 6 HA PHE 6 4.131 -7.300 9.535
40 HB2 PHE 6 HB2 PHE 6 6.996 -6.987 9.764
41 HB3 PHE 6 HB1 PHE 6 6.184 -6.255 11.144
42 HD1 PHE 6 HD1 PHE 6 5.617 -9.331 9.102
43 HD2 PHE 6 HD2 PHE 6 6.184 -7.638 12.965
44 HE1 PHE 6 HE1 PHE 6 5.343 -11.557 10.114
45 HE2 PHE 6 HE2 PHE 6 5.912 -9.861 13.984
46 HZ PHE 6 HZ PHE 6 5.491 -11.824 12.558
47 H THR 7 HN THR 7 5.972 -4.297 9.071
48 HA THR 7 HA THR 7 4.297 -2.827 10.889
49 HB THR 7 HB THR 7 5.572 -0.830 9.993
50 HG1 THR 7 HG1 THR 7 7.225 -2.787 8.763
51 HG21 THR 7 HG21 THR 7 7.675 -2.713 10.816
52 HG22 THR 7 HG22 THR 7 6.261 -2.673 11.869
53 HG23 THR 7 HG23 THR 7 7.164 -1.192 11.549
54 H SER 8 HN SER 8 4.209 -3.606 7.542
55 HA SER 8 HA SER 8 2.835 -1.380 6.527
56 HB2 SER 8 HB2 SER 8 2.518 -2.629 4.598
57 HB3 SER 8 HB1 SER 8 3.889 -3.469 5.322
58 HG SER 8 HG SER 8 2.570 -5.092 5.960
59 H GLU 9 HN GLU 9 1.642 -4.402 7.950
60 HA GLU 9 HA GLU 9 -1.109 -3.518 7.738
61 HB2 GLU 9 HB2 GLU 9 -1.679 -5.681 8.705
62 HB3 GLU 9 HB1 GLU 9 -0.555 -5.881 7.368
63 HG2 GLU 9 HG2 GLU 9 1.133 -5.695 9.502
64 HG3 GLU 9 HG1 GLU 9 -0.252 -6.536 10.196
65 H PHE 10 HN PHE 10 1.357 -3.897 10.214
66 HA PHE 10 HA PHE 10 -0.375 -3.396 12.422
67 HB2 PHE 10 HB2 PHE 10 2.139 -4.370 12.216
68 HB3 PHE 10 HB1 PHE 10 2.495 -2.711 12.687
69 HD1 PHE 10 HD2 PHE 10 0.809 -1.877 14.660
70 HD2 PHE 10 HD1 PHE 10 2.064 -5.877 13.928
71 HE1 PHE 10 HE2 PHE 10 0.352 -2.447 17.009
72 HE2 PHE 10 HE1 PHE 10 1.608 -6.454 16.276
73 HZ PHE 10 HZ PHE 10 0.752 -4.738 17.820
74 HN PH8 11 HN PH8 11 1.921 -1.395 10.604
75 HA PH8 11 HA PH8 11 0.734 0.995 11.843
76 HZ PH8 11 HZ PH8 11 1.178 6.826 7.056
77 HB PH8 11 HB2 PH8 11 3.135 0.784 12.224
78 HBA PH8 11 HB1 PH8 11 3.417 0.635 10.495
79 HD1 PH8 11 HD1 PH8 11 3.247 5.587 10.571
80 HD2 PH8 11 HD2 PH8 11 2.544 2.805 7.429
81 HE1 PH8 11 HE1 PH8 11 2.103 7.342 9.280
82 HE2 PH8 11 HE2 PH8 11 1.399 4.555 6.131
83 HI PH8 11 HI2 PH8 11 1.946 3.043 11.130
84 HIA PH8 11 HI1 PH8 11 3.479 2.960 12.000
85 HJ PH8 11 HJ1 PH8 11 3.781 2.142 9.244
86 HJA PH8 11 HJ2 PH8 11 4.647 3.379 10.152
87 HN1 NH2 12 H1 PHE 11 1.425 -0.620 8.845
88 HN2 NH2 12 H2 PHE 11 0.626 0.506 7.809
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 12.332 -6.698 0.855
2 H2 HIS 1 HT2 HIS 1 12.237 -5.260 1.740
3 H3 HIS 1 HT3 HIS 1 12.201 -5.216 0.050
4 HA HIS 1 HA HIS 1 10.012 -4.965 1.348
5 HB2 HIS 1 HB2 HIS 1 8.835 -6.004 -0.519
6 HB3 HIS 1 HB1 HIS 1 10.274 -5.178 -1.105
7 HD1 HIS 1 HD1 HIS 1 8.515 -8.081 -1.803
8 HD2 HIS 1 HD2 HIS 1 12.534 -7.346 -1.050
9 HE1 HIS 1 HE1 HIS 1 9.752 -10.031 -2.798
10 HE2 HIS 1 HE2 HIS 1 12.174 -9.610 -2.247
11 H AIB 2 HN AIB 2 8.105 -6.890 1.072
12 HB11 AIB 2 HB11 AIB 2 9.338 -9.794 1.180
13 HB12 AIB 2 HB12 AIB 2 8.374 -10.656 2.379
14 HB13 AIB 2 HB13 AIB 2 9.815 -9.769 2.877
15 HB21 AIB 2 HB21 AIB 2 6.216 -7.908 1.714
16 HB22 AIB 2 HB22 AIB 2 6.195 -9.391 2.668
17 HB23 AIB 2 HB23 AIB 2 6.792 -9.419 1.009
18 H GLU 3 HN GLU 3 10.088 -8.179 3.997
19 HA GLU 3 HA GLU 3 8.840 -8.494 6.483
20 HB2 GLU 3 HB2 GLU 3 11.311 -6.853 5.904
21 HB3 GLU 3 HB1 GLU 3 10.857 -7.564 7.447
22 HG2 GLU 3 HG2 GLU 3 11.524 -9.646 6.847
23 HG3 GLU 3 HG1 GLU 3 11.144 -9.399 5.143
24 H GLY 4 HN GLY 4 9.138 -5.721 4.388
25 HA2 GLY 4 HA2 GLY 4 8.576 -3.693 6.259
26 HA3 GLY 4 HA1 GLY 4 8.295 -3.591 4.528
27 H LYS 5 HN LYS 5 6.482 -5.909 4.538
28 HA LYS 5 HA LYS 5 4.057 -4.554 4.854
29 HB2 LYS 5 HB2 LYS 5 3.095 -6.418 3.983
30 HB3 LYS 5 HB1 LYS 5 4.762 -6.831 3.616
31 HG2 LYS 5 HG2 LYS 5 4.126 -8.780 4.569
32 HG3 LYS 5 HG1 LYS 5 4.613 -7.929 6.035
33 HD2 LYS 5 HD2 LYS 5 1.959 -7.178 5.611
34 HD3 LYS 5 HD1 LYS 5 2.007 -8.902 5.242
35 HE2 LYS 5 HE2 LYS 5 1.947 -9.321 7.422
36 HE3 LYS 5 HE1 LYS 5 3.531 -8.562 7.576
37 HZ1 LYS 5 HZ1 LYS 5 2.444 -6.525 8.178
38 H PHE 6 HN PHE 6 5.941 -6.442 7.095
39 HA PHE 6 HA PHE 6 4.095 -7.127 9.021
40 HB2 PHE 6 HB2 PHE 6 6.723 -7.429 8.870
41 HB3 PHE 6 HB1 PHE 6 6.715 -6.020 9.925
42 HD1 PHE 6 HD2 PHE 6 5.485 -9.493 9.592
43 HD2 PHE 6 HD1 PHE 6 6.241 -6.225 12.211
44 HE1 PHE 6 HE2 PHE 6 5.073 -10.954 11.529
45 HE2 PHE 6 HE1 PHE 6 5.832 -7.680 14.152
46 HZ PHE 6 HZ PHE 6 5.246 -10.048 13.812
47 H THR 7 HN THR 7 5.874 -4.060 8.742
48 HA THR 7 HA THR 7 4.454 -2.873 10.942
49 HB THR 7 HB THR 7 5.865 -1.103 9.033
50 HG1 THR 7 HG1 THR 7 7.911 -1.881 9.951
51 HG21 THR 7 HG21 THR 7 5.947 -1.494 12.026
52 HG22 THR 7 HG22 THR 7 5.064 -0.243 11.150
53 HG23 THR 7 HG23 THR 7 6.828 -0.244 11.147
54 H SER 8 HN SER 8 4.072 -3.050 7.493
55 HA SER 8 HA SER 8 2.496 -0.803 7.014
56 HB2 SER 8 HB2 SER 8 1.934 -1.786 4.966
57 HB3 SER 8 HB1 SER 8 3.473 -2.553 5.359
58 HG SER 8 HG SER 8 0.954 -3.640 5.177
59 H GLU 9 HN GLU 9 1.580 -4.020 8.170
60 HA GLU 9 HA GLU 9 -1.217 -3.233 8.344
61 HB2 GLU 9 HB2 GLU 9 -1.685 -5.519 8.878
62 HB3 GLU 9 HB1 GLU 9 -0.542 -5.507 7.543
63 HG2 GLU 9 HG2 GLU 9 1.140 -5.624 9.666
64 HG3 GLU 9 HG1 GLU 9 -0.249 -6.523 10.276
65 H PHE 10 HN PHE 10 1.556 -3.707 10.404
66 HA PHE 10 HA PHE 10 -0.053 -3.464 12.825
67 HB2 PHE 10 HB2 PHE 10 2.281 -4.825 12.263
68 HB3 PHE 10 HB1 PHE 10 2.857 -3.419 13.152
69 HD1 PHE 10 HD2 PHE 10 -0.233 -5.470 13.507
70 HD2 PHE 10 HD1 PHE 10 3.382 -4.099 15.286
71 HE1 PHE 10 HE2 PHE 10 -0.866 -6.556 15.622
72 HE2 PHE 10 HE1 PHE 10 2.756 -5.184 17.404
73 HZ PHE 10 HZ PHE 10 0.629 -6.414 17.574
74 HN PH8 11 HN PH8 11 0.447 -1.276 10.769
75 HA PH8 11 HA PH8 11 0.393 0.930 12.427
76 HZ PH8 11 HZ PH8 11 2.623 7.626 15.283
77 HB PH8 11 HB2 PH8 11 2.986 -0.057 12.347
78 HBA PH8 11 HB1 PH8 11 3.008 1.242 11.163
79 HD1 PH8 11 HD1 PH8 11 3.024 3.384 15.407
80 HD2 PH8 11 HD2 PH8 11 3.588 5.465 11.738
81 HE1 PH8 11 HE1 PH8 11 2.568 5.515 16.550
82 HE2 PH8 11 HE2 PH8 11 3.134 7.600 12.874
83 HI PH8 11 HI2 PH8 11 1.663 2.314 13.345
84 HIA PH8 11 HI1 PH8 11 2.980 1.371 14.046
85 HJ PH8 11 HJ1 PH8 11 3.568 3.151 11.734
86 HJA PH8 11 HJ2 PH8 11 4.609 2.659 13.069
87 HN1 NH2 12 H1 PHE 11 1.444 -0.373 9.356
88 HN2 NH2 12 H2 PHE 11 0.755 0.862 8.366
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 12.236 -7.107 -0.872
2 H2 HIS 1 HT2 HIS 1 11.778 -6.758 0.718
3 H3 HIS 1 HT3 HIS 1 10.748 -6.362 -0.564
4 HA HIS 1 HA HIS 1 10.617 -8.778 -1.104
5 HB2 HIS 1 HB2 HIS 1 11.730 -9.091 1.688
6 HB3 HIS 1 HB1 HIS 1 11.387 -10.358 0.516
7 HD1 HIS 1 HD1 HIS 1 13.687 -7.330 0.761
8 HD2 HIS 1 HD2 HIS 1 13.602 -11.185 -0.789
9 HE1 HIS 1 HE1 HIS 1 15.971 -7.711 -0.220
10 HE2 HIS 1 HE2 HIS 1 15.925 -10.083 -1.068
11 H AIB 2 HN AIB 2 10.378 -7.822 2.326
12 HB11 AIB 2 HB11 AIB 2 6.875 -9.209 3.575
13 HB12 AIB 2 HB12 AIB 2 8.218 -9.991 2.742
14 HB13 AIB 2 HB13 AIB 2 6.931 -9.223 1.813
15 HB21 AIB 2 HB21 AIB 2 7.697 -5.817 2.525
16 HB22 AIB 2 HB22 AIB 2 6.370 -6.974 2.446
17 HB23 AIB 2 HB23 AIB 2 7.463 -6.791 1.075
18 H GLU 3 HN GLU 3 10.202 -6.373 3.516
19 HA GLU 3 HA GLU 3 10.205 -7.147 6.268
20 HB2 GLU 3 HB2 GLU 3 11.860 -5.242 6.481
21 HB3 GLU 3 HB1 GLU 3 12.300 -6.515 5.350
22 HG2 GLU 3 HG2 GLU 3 12.346 -5.109 3.631
23 HG3 GLU 3 HG1 GLU 3 10.799 -4.388 4.074
24 H GLY 4 HN GLY 4 8.786 -4.557 4.411
25 HA2 GLY 4 HA2 GLY 4 7.998 -3.122 6.830
26 HA3 GLY 4 HA1 GLY 4 7.767 -2.575 5.176
27 H LYS 5 HN LYS 5 6.806 -5.745 5.281
28 HA LYS 5 HA LYS 5 4.067 -5.079 4.988
29 HB2 LYS 5 HB2 LYS 5 4.197 -7.027 3.898
30 HB3 LYS 5 HB1 LYS 5 5.739 -7.401 4.646
31 HG2 LYS 5 HG2 LYS 5 4.207 -9.179 5.096
32 HG3 LYS 5 HG1 LYS 5 4.513 -8.313 6.602
33 HD2 LYS 5 HD2 LYS 5 2.351 -6.968 5.687
34 HD3 LYS 5 HD1 LYS 5 2.033 -8.576 5.032
35 HE2 LYS 5 HE2 LYS 5 1.304 -9.223 7.027
36 HE3 LYS 5 HE1 LYS 5 2.907 -8.923 7.695
37 HZ1 LYS 5 HZ1 LYS 5 2.172 -6.713 8.302
38 H PHE 6 HN PHE 6 5.857 -6.756 7.569
39 HA PHE 6 HA PHE 6 3.768 -7.313 9.283
40 HB2 PHE 6 HB2 PHE 6 6.675 -6.936 9.558
41 HB3 PHE 6 HB1 PHE 6 5.760 -6.678 11.040
42 HD1 PHE 6 HD1 PHE 6 6.666 -9.119 8.454
43 HD2 PHE 6 HD2 PHE 6 4.684 -8.488 12.167
44 HE1 PHE 6 HE1 PHE 6 6.553 -11.552 8.803
45 HE2 PHE 6 HE2 PHE 6 4.569 -10.920 12.523
46 HZ PHE 6 HZ PHE 6 5.505 -12.455 10.840
47 H THR 7 HN THR 7 5.733 -4.352 9.158
48 HA THR 7 HA THR 7 4.117 -3.059 11.159
49 HB THR 7 HB THR 7 5.908 -1.415 9.464
50 HG1 THR 7 HG1 THR 7 6.907 -3.401 11.254
51 HG21 THR 7 HG21 THR 7 6.189 -0.203 11.374
52 HG22 THR 7 HG22 THR 7 6.140 -1.625 12.415
53 HG23 THR 7 HG23 THR 7 4.643 -0.954 11.769
54 H SER 8 HN SER 8 4.041 -3.365 7.732
55 HA SER 8 HA SER 8 2.795 -0.974 6.998
56 HB2 SER 8 HB2 SER 8 3.558 -2.294 5.213
57 HB3 SER 8 HB1 SER 8 2.772 -3.746 5.830
58 HG SER 8 HG SER 8 0.806 -2.941 5.194
59 H GLU 9 HN GLU 9 1.390 -4.064 8.039
60 HA GLU 9 HA GLU 9 -1.286 -2.946 7.988
61 HB2 GLU 9 HB2 GLU 9 -2.024 -5.180 8.636
62 HB3 GLU 9 HB1 GLU 9 -0.932 -5.263 7.261
63 HG2 GLU 9 HG2 GLU 9 0.778 -5.529 9.375
64 HG3 GLU 9 HG1 GLU 9 -0.664 -6.370 9.944
65 H PHE 10 HN PHE 10 1.145 -3.898 10.344
66 HA PHE 10 HA PHE 10 -0.499 -3.639 12.640
67 HB2 PHE 10 HB2 PHE 10 2.437 -3.804 12.126
68 HB3 PHE 10 HB1 PHE 10 1.903 -3.228 13.701
69 HD1 PHE 10 HD2 PHE 10 0.446 -5.848 11.501
70 HD2 PHE 10 HD1 PHE 10 2.378 -4.940 15.182
71 HE1 PHE 10 HE2 PHE 10 0.129 -8.174 12.236
72 HE2 PHE 10 HE1 PHE 10 2.067 -7.265 15.924
73 HZ PHE 10 HZ PHE 10 0.940 -8.886 14.450
74 HN PH8 11 HN PH8 11 1.855 -1.463 11.117
75 HA PH8 11 HA PH8 11 0.730 0.759 12.683
76 HZ PH8 11 HZ PH8 11 5.852 7.138 14.851
77 HB PH8 11 HB2 PH8 11 3.133 0.393 13.015
78 HBA PH8 11 HB1 PH8 11 3.402 0.545 11.284
79 HD1 PH8 11 HD1 PH8 11 3.061 5.108 12.348
80 HD2 PH8 11 HD2 PH8 11 4.608 3.175 15.810
81 HE1 PH8 11 HE1 PH8 11 4.404 7.105 12.859
82 HE2 PH8 11 HE2 PH8 11 5.953 5.169 16.327
83 HI PH8 11 HI2 PH8 11 3.924 2.659 11.855
84 HIA PH8 11 HI1 PH8 11 2.177 2.880 11.738
85 HJ PH8 11 HJ1 PH8 11 3.292 1.971 14.335
86 HJA PH8 11 HJ2 PH8 11 1.898 2.996 14.000
87 HN1 NH2 12 H1 PHE 11 1.388 -0.429 9.486
88 HN2 NH2 12 H2 PHE 11 0.634 0.861 8.620
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 12.006 -11.497 2.635
2 H2 HIS 1 HT2 HIS 1 10.401 -11.177 3.063
3 H3 HIS 1 HT3 HIS 1 11.664 -10.401 3.878
4 HA HIS 1 HA HIS 1 12.183 -9.037 2.097
5 HB2 HIS 1 HB2 HIS 1 10.803 -11.201 0.576
6 HB3 HIS 1 HB1 HIS 1 10.803 -9.582 -0.116
7 HD1 HIS 1 HD1 HIS 1 13.332 -12.086 1.231
8 HD2 HIS 1 HD2 HIS 1 13.018 -9.038 -1.576
9 HE1 HIS 1 HE1 HIS 1 15.525 -12.077 0.001
10 HE2 HIS 1 HE2 HIS 1 15.342 -10.171 -1.636
11 H AIB 2 HN AIB 2 11.026 -7.187 1.443
12 HB11 AIB 2 HB11 AIB 2 7.321 -7.783 1.636
13 HB12 AIB 2 HB12 AIB 2 8.257 -7.475 0.173
14 HB13 AIB 2 HB13 AIB 2 7.250 -6.201 0.859
15 HB21 AIB 2 HB21 AIB 2 8.590 -4.645 1.149
16 HB22 AIB 2 HB22 AIB 2 10.118 -5.316 0.577
17 HB23 AIB 2 HB23 AIB 2 9.994 -4.677 2.216
18 H GLU 3 HN GLU 3 10.403 -5.679 3.888
19 HA GLU 3 HA GLU 3 8.865 -6.770 6.019
20 HB2 GLU 3 HB2 GLU 3 10.845 -4.503 6.224
21 HB3 GLU 3 HB1 GLU 3 10.375 -5.637 7.483
22 HG2 GLU 3 HG2 GLU 3 11.350 -7.203 5.381
23 HG3 GLU 3 HG1 GLU 3 12.460 -5.841 5.523
24 H GLY 4 HN GLY 4 8.816 -3.758 4.270
25 HA2 GLY 4 HA2 GLY 4 7.495 -2.108 6.087
26 HA3 GLY 4 HA1 GLY 4 7.368 -1.979 4.340
27 H LYS 5 HN LYS 5 6.276 -4.786 4.246
28 HA LYS 5 HA LYS 5 3.525 -4.078 4.360
29 HB2 LYS 5 HB2 LYS 5 3.814 -5.656 2.738
30 HB3 LYS 5 HB1 LYS 5 5.115 -6.460 3.600
31 HG2 LYS 5 HG2 LYS 5 3.071 -7.838 3.291
32 HG3 LYS 5 HG1 LYS 5 3.572 -7.653 4.971
33 HD2 LYS 5 HD2 LYS 5 1.808 -5.522 4.395
34 HD3 LYS 5 HD1 LYS 5 1.070 -6.991 3.752
35 HE2 LYS 5 HE2 LYS 5 0.795 -7.916 5.805
36 HE3 LYS 5 HE1 LYS 5 2.259 -7.180 6.451
37 HZ1 LYS 5 HZ1 LYS 5 1.005 -5.402 7.180
38 H PHE 6 HN PHE 6 5.301 -6.628 6.118
39 HA PHE 6 HA PHE 6 3.427 -7.402 7.930
40 HB2 PHE 6 HB2 PHE 6 6.403 -7.069 8.230
41 HB3 PHE 6 HB1 PHE 6 5.417 -7.721 9.534
42 HD1 PHE 6 HD2 PHE 6 6.656 -8.293 6.128
43 HD2 PHE 6 HD1 PHE 6 4.497 -9.925 9.412
44 HE1 PHE 6 HE2 PHE 6 6.789 -10.524 5.100
45 HE2 PHE 6 HE1 PHE 6 4.626 -12.160 8.390
46 HZ PHE 6 HZ PHE 6 5.772 -12.461 6.231
47 H THR 7 HN THR 7 5.446 -4.520 8.095
48 HA THR 7 HA THR 7 4.315 -3.748 10.646
49 HB THR 7 HB THR 7 6.701 -3.297 10.168
50 HG1 THR 7 HG1 THR 7 6.636 -1.163 10.973
51 HG21 THR 7 HG21 THR 7 5.850 -1.084 8.333
52 HG22 THR 7 HG22 THR 7 6.155 -2.703 7.703
53 HG23 THR 7 HG23 THR 7 7.441 -1.821 8.528
54 H SER 8 HN SER 8 3.931 -2.964 7.265
55 HA SER 8 HA SER 8 2.678 -0.515 7.360
56 HB2 SER 8 HB2 SER 8 2.504 -2.867 5.548
57 HB3 SER 8 HB1 SER 8 1.225 -1.661 5.413
58 HG SER 8 HG SER 8 2.726 -0.128 4.904
59 H GLU 9 HN GLU 9 1.392 -3.686 8.134
60 HA GLU 9 HA GLU 9 -1.236 -2.543 8.710
61 HB2 GLU 9 HB2 GLU 9 -0.271 -5.402 8.659
62 HB3 GLU 9 HB1 GLU 9 -1.911 -4.918 9.066
63 HG2 GLU 9 HG2 GLU 9 -2.473 -4.808 6.934
64 HG3 GLU 9 HG1 GLU 9 -1.128 -3.728 6.579
65 H PHE 10 HN PHE 10 1.357 -4.351 10.306
66 HA PHE 10 HA PHE 10 0.203 -4.530 12.845
67 HB2 PHE 10 HB2 PHE 10 2.970 -4.663 11.769
68 HB3 PHE 10 HB1 PHE 10 2.801 -4.393 13.500
69 HD1 PHE 10 HD2 PHE 10 0.727 -6.458 11.205
70 HD2 PHE 10 HD1 PHE 10 3.429 -6.386 14.492
71 HE1 PHE 10 HE2 PHE 10 0.374 -8.869 11.543
72 HE2 PHE 10 HE1 PHE 10 3.082 -8.798 14.835
73 HZ PHE 10 HZ PHE 10 1.552 -10.042 13.360
74 HN PH8 11 HN PH8 11 1.751 -1.878 11.221
75 HA PH8 11 HA PH8 11 0.899 -0.068 13.306
76 HZ PH8 11 HZ PH8 11 5.374 4.955 17.449
77 HB PH8 11 HB2 PH8 11 3.693 -0.885 13.000
78 HBA PH8 11 HB1 PH8 11 3.473 0.857 12.930
79 HD1 PH8 11 HD1 PH8 11 4.085 2.501 14.210
80 HD2 PH8 11 HD2 PH8 11 5.229 0.719 17.901
81 HE1 PH8 11 HE1 PH8 11 4.562 4.731 15.134
82 HE2 PH8 11 HE2 PH8 11 5.707 2.945 18.833
83 HI PH8 11 HI2 PH8 11 2.363 0.835 15.082
84 HIA PH8 11 HI1 PH8 11 2.485 -0.924 15.148
85 HJ PH8 11 HJ1 PH8 11 5.080 -0.119 14.678
86 HJA PH8 11 HJ2 PH8 11 4.409 -0.621 16.228
87 HN1 NH2 12 H1 PHE 11 0.375 -0.606 10.461
88 HN2 NH2 12 H2 PHE 11 0.688 0.875 9.629
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 9.206 -11.031 -0.295
2 H2 HIS 1 HT2 HIS 1 9.340 -9.379 -0.631
3 H3 HIS 1 HT3 HIS 1 8.220 -9.919 0.515
4 HA HIS 1 HA HIS 1 9.971 -10.653 1.969
5 HB2 HIS 1 HB2 HIS 1 11.837 -9.504 -0.118
6 HB3 HIS 1 HB1 HIS 1 12.299 -10.301 1.382
7 HD1 HIS 1 HD1 HIS 1 10.456 -12.786 1.173
8 HD2 HIS 1 HD2 HIS 1 12.794 -11.308 -1.929
9 HE1 HIS 1 HE1 HIS 1 10.820 -14.730 -0.380
10 HE2 HIS 1 HE2 HIS 1 12.299 -13.831 -2.211
11 H AIB 2 HN AIB 2 8.635 -7.997 0.668
12 HB11 AIB 2 HB11 AIB 2 8.169 -4.527 1.270
13 HB12 AIB 2 HB12 AIB 2 7.113 -5.917 1.517
14 HB13 AIB 2 HB13 AIB 2 8.107 -5.812 0.065
15 HB21 AIB 2 HB21 AIB 2 10.486 -5.272 0.502
16 HB22 AIB 2 HB22 AIB 2 11.317 -6.213 1.740
17 HB23 AIB 2 HB23 AIB 2 10.533 -4.693 2.167
18 H GLU 3 HN GLU 3 10.864 -6.523 3.744
19 HA GLU 3 HA GLU 3 9.402 -7.432 5.868
20 HB2 GLU 3 HB2 GLU 3 11.106 -6.497 7.321
21 HB3 GLU 3 HB1 GLU 3 11.853 -7.154 5.872
22 HG2 GLU 3 HG2 GLU 3 12.952 -5.216 5.810
23 HG3 GLU 3 HG1 GLU 3 11.454 -4.571 5.139
24 H GLY 4 HN GLY 4 9.417 -4.217 4.528
25 HA2 GLY 4 HA2 GLY 4 8.429 -2.724 6.655
26 HA3 GLY 4 HA1 GLY 4 8.103 -2.385 4.962
27 H LYS 5 HN LYS 5 6.785 -5.037 4.630
28 HA LYS 5 HA LYS 5 4.139 -4.269 4.984
29 HB2 LYS 5 HB2 LYS 5 4.395 -5.986 3.453
30 HB3 LYS 5 HB1 LYS 5 5.500 -6.883 4.483
31 HG2 LYS 5 HG2 LYS 5 2.679 -6.586 5.375
32 HG3 LYS 5 HG1 LYS 5 3.033 -7.702 4.054
33 HD2 LYS 5 HD2 LYS 5 4.256 -9.109 5.387
34 HD3 LYS 5 HD1 LYS 5 4.728 -7.825 6.497
35 HE2 LYS 5 HE2 LYS 5 1.993 -9.077 6.294
36 HE3 LYS 5 HE1 LYS 5 3.184 -9.400 7.550
37 HZ1 LYS 5 HZ1 LYS 5 2.919 -6.867 7.993
38 H PHE 6 HN PHE 6 6.271 -6.090 7.110
39 HA PHE 6 HA PHE 6 4.557 -7.144 8.953
40 HB2 PHE 6 HB2 PHE 6 7.228 -6.930 8.825
41 HB3 PHE 6 HB1 PHE 6 6.915 -5.730 10.074
42 HD1 PHE 6 HD2 PHE 6 5.027 -6.664 11.829
43 HD2 PHE 6 HD1 PHE 6 7.818 -8.990 9.614
44 HE1 PHE 6 HE2 PHE 6 4.865 -8.451 13.512
45 HE2 PHE 6 HE1 PHE 6 7.661 -10.783 11.293
46 HZ PHE 6 HZ PHE 6 6.184 -10.514 13.245
47 H THR 7 HN THR 7 5.920 -3.857 9.084
48 HA THR 7 HA THR 7 4.118 -3.142 11.220
49 HB THR 7 HB THR 7 5.429 -0.840 10.112
50 HG1 THR 7 HG1 THR 7 7.108 -1.912 9.305
51 HG21 THR 7 HG21 THR 7 5.955 -2.393 12.649
52 HG22 THR 7 HG22 THR 7 4.739 -1.132 12.456
53 HG23 THR 7 HG23 THR 7 6.451 -0.733 12.322
54 H SER 8 HN SER 8 4.362 -2.654 7.764
55 HA SER 8 HA SER 8 2.699 -0.510 7.333
56 HB2 SER 8 HB2 SER 8 2.747 -3.072 5.719
57 HB3 SER 8 HB1 SER 8 2.162 -1.507 5.158
58 HG SER 8 HG SER 8 4.307 -1.897 4.484
59 H GLU 9 HN GLU 9 1.808 -3.858 7.995
60 HA GLU 9 HA GLU 9 -1.025 -3.219 7.934
61 HB2 GLU 9 HB2 GLU 9 -1.375 -5.599 8.311
62 HB3 GLU 9 HB1 GLU 9 -0.244 -5.351 6.988
63 HG2 GLU 9 HG2 GLU 9 1.525 -5.583 8.936
64 HG3 GLU 9 HG1 GLU 9 0.208 -6.481 9.690
65 H PHE 10 HN PHE 10 1.469 -4.139 10.258
66 HA PHE 10 HA PHE 10 -0.103 -4.481 12.524
67 HB2 PHE 10 HB2 PHE 10 2.418 -4.856 12.240
68 HB3 PHE 10 HB1 PHE 10 2.597 -3.140 12.587
69 HD1 PHE 10 HD2 PHE 10 0.634 -5.975 14.025
70 HD2 PHE 10 HD1 PHE 10 3.261 -2.702 14.727
71 HE1 PHE 10 HE2 PHE 10 0.592 -6.464 16.436
72 HE2 PHE 10 HE1 PHE 10 3.224 -3.184 17.139
73 HZ PHE 10 HZ PHE 10 1.887 -5.067 17.997
74 HN PH8 11 HN PH8 11 1.389 -1.517 11.272
75 HA PH8 11 HA PH8 11 -0.386 0.039 13.035
76 HZ PH8 11 HZ PH8 11 -0.795 3.489 17.512
77 HB PH8 11 HB2 PH8 11 2.115 1.115 11.754
78 HBA PH8 11 HB1 PH8 11 1.230 1.753 13.132
79 HD1 PH8 11 HD1 PH8 11 -0.706 -0.474 15.946
80 HD2 PH8 11 HD2 PH8 11 2.623 2.112 15.368
81 HE1 PH8 11 HE1 PH8 11 -1.877 1.302 17.181
82 HE2 PH8 11 HE2 PH8 11 1.459 3.894 16.603
83 HI PH8 11 HI2 PH8 11 2.895 -0.753 13.061
84 HIA PH8 11 HI1 PH8 11 3.282 0.759 13.885
85 HJ PH8 11 HJ1 PH8 11 2.463 -0.847 15.488
86 HJA PH8 11 HJ2 PH8 11 1.016 -1.124 14.521
87 HN1 NH2 12 H1 PHE 11 0.756 -0.446 9.784
88 HN2 NH2 12 H2 PHE 11 -0.339 0.642 9.011
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 10.315 -12.211 3.184
2 H2 HIS 1 HT2 HIS 1 8.670 -11.990 2.860
3 H3 HIS 1 HT3 HIS 1 9.357 -11.311 4.249
4 HA HIS 1 HA HIS 1 10.860 -10.020 2.697
5 HB2 HIS 1 HB2 HIS 1 8.648 -10.685 0.749
6 HB3 HIS 1 HB1 HIS 1 10.127 -9.785 0.428
7 HD1 HIS 1 HD1 HIS 1 8.845 -12.767 -0.572
8 HD2 HIS 1 HD2 HIS 1 12.376 -11.846 1.414
9 HE1 HIS 1 HE1 HIS 1 10.387 -14.704 -1.011
10 HE2 HIS 1 HE2 HIS 1 12.491 -14.160 0.266
11 H AIB 2 HN AIB 2 9.730 -7.981 1.487
12 HB11 AIB 2 HB11 AIB 2 6.660 -7.909 1.483
13 HB12 AIB 2 HB12 AIB 2 6.213 -6.294 2.033
14 HB13 AIB 2 HB13 AIB 2 6.370 -7.610 3.196
15 HB21 AIB 2 HB21 AIB 2 9.447 -5.210 1.847
16 HB22 AIB 2 HB22 AIB 2 7.743 -5.059 1.413
17 HB23 AIB 2 HB23 AIB 2 8.785 -6.171 0.525
18 H GLU 3 HN GLU 3 10.401 -6.027 3.502
19 HA GLU 3 HA GLU 3 9.841 -6.301 6.235
20 HB2 GLU 3 HB2 GLU 3 11.869 -4.736 4.675
21 HB3 GLU 3 HB1 GLU 3 11.741 -4.516 6.414
22 HG2 GLU 3 HG2 GLU 3 12.076 -7.226 5.179
23 HG3 GLU 3 HG1 GLU 3 13.452 -6.190 5.559
24 H GLY 4 HN GLY 4 9.122 -3.750 3.971
25 HA2 GLY 4 HA2 GLY 4 8.453 -1.829 6.033
26 HA3 GLY 4 HA1 GLY 4 8.256 -1.615 4.300
27 H LYS 5 HN LYS 5 6.755 -4.115 3.988
28 HA LYS 5 HA LYS 5 4.152 -3.064 4.467
29 HB2 LYS 5 HB2 LYS 5 4.637 -4.458 2.515
30 HB3 LYS 5 HB1 LYS 5 5.003 -5.820 3.565
31 HG2 LYS 5 HG2 LYS 5 2.389 -4.765 4.148
32 HG3 LYS 5 HG1 LYS 5 2.540 -5.158 2.435
33 HD2 LYS 5 HD2 LYS 5 1.866 -7.187 3.265
34 HD3 LYS 5 HD1 LYS 5 3.617 -7.368 3.371
35 HE2 LYS 5 HE2 LYS 5 2.305 -8.078 5.409
36 HE3 LYS 5 HE1 LYS 5 3.617 -6.940 5.693
37 HZ1 LYS 5 HZ1 LYS 5 2.037 -5.573 6.608
38 H PHE 6 HN PHE 6 6.021 -5.725 5.882
39 HA PHE 6 HA PHE 6 4.213 -6.937 7.504
40 HB2 PHE 6 HB2 PHE 6 6.987 -6.891 7.324
41 HB3 PHE 6 HB1 PHE 6 6.661 -6.425 8.990
42 HD1 PHE 6 HD2 PHE 6 4.267 -7.982 9.615
43 HD2 PHE 6 HD1 PHE 6 7.747 -9.071 7.422
44 HE1 PHE 6 HE2 PHE 6 3.895 -10.343 10.204
45 HE2 PHE 6 HE1 PHE 6 7.381 -11.433 8.006
46 HZ PHE 6 HZ PHE 6 5.453 -12.071 9.399
47 H THR 7 HN THR 7 5.710 -3.796 8.057
48 HA THR 7 HA THR 7 4.397 -3.564 10.636
49 HB THR 7 HB THR 7 5.802 -1.230 9.440
50 HG1 THR 7 HG1 THR 7 7.101 -3.607 10.329
51 HG21 THR 7 HG21 THR 7 6.774 -1.602 11.948
52 HG22 THR 7 HG22 THR 7 5.173 -2.327 12.095
53 HG23 THR 7 HG23 THR 7 5.337 -0.652 11.570
54 H SER 8 HN SER 8 4.134 -2.258 7.385
55 HA SER 8 HA SER 8 2.400 -0.142 7.814
56 HB2 SER 8 HB2 SER 8 3.134 -1.842 5.561
57 HB3 SER 8 HB1 SER 8 1.459 -1.305 5.467
58 HG SER 8 HG SER 8 3.601 0.468 5.989
59 H GLU 9 HN GLU 9 1.831 -3.560 7.962
60 HA GLU 9 HA GLU 9 -1.056 -3.193 8.173
61 HB2 GLU 9 HB2 GLU 9 0.649 -5.678 7.994
62 HB3 GLU 9 HB1 GLU 9 -1.102 -5.694 8.165
63 HG2 GLU 9 HG2 GLU 9 -1.443 -5.191 6.016
64 HG3 GLU 9 HG1 GLU 9 -0.116 -4.038 5.963
65 H PHE 10 HN PHE 10 1.574 -4.764 9.972
66 HA PHE 10 HA PHE 10 0.125 -5.416 12.262
67 HB2 PHE 10 HB2 PHE 10 2.184 -6.430 12.289
68 HB3 PHE 10 HB1 PHE 10 3.006 -5.026 11.624
69 HD1 PHE 10 HD2 PHE 10 1.165 -5.966 14.737
70 HD2 PHE 10 HD1 PHE 10 4.496 -3.965 13.000
71 HE1 PHE 10 HE2 PHE 10 1.989 -5.393 16.984
72 HE2 PHE 10 HE1 PHE 10 5.325 -3.389 15.244
73 HZ PHE 10 HZ PHE 10 4.071 -4.103 17.239
74 HN PH8 11 HN PH8 11 1.563 -2.401 11.250
75 HA PH8 11 HA PH8 11 0.141 -1.020 13.378
76 HZ PH8 11 HZ PH8 11 -0.350 0.355 20.646
77 HB PH8 11 HB2 PH8 11 2.845 -1.569 13.678
78 HBA PH8 11 HB1 PH8 11 2.825 0.081 13.069
79 HD1 PH8 11 HD1 PH8 11 2.238 -2.138 18.353
80 HD2 PH8 11 HD2 PH8 11 -0.394 0.569 16.389
81 HE1 PH8 11 HE1 PH8 11 1.392 -1.382 20.536
82 HE2 PH8 11 HE2 PH8 11 -1.244 1.331 18.569
83 HI PH8 11 HI2 PH8 11 2.787 0.316 15.384
84 HIA PH8 11 HI1 PH8 11 1.105 0.545 14.900
85 HJ PH8 11 HJ1 PH8 11 2.348 -1.938 16.067
86 HJA PH8 11 HJ2 PH8 11 0.714 -1.868 15.409
87 HN1 NH2 12 H1 PHE 11 -0.066 -1.270 10.469
88 HN2 NH2 12 H2 PHE 11 0.075 0.327 9.829
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 5.055 -8.485 1.311
2 H2 HIS 1 HT2 HIS 1 6.064 -7.198 1.739
3 H3 HIS 1 HT3 HIS 1 5.644 -8.362 2.892
4 HA HIS 1 HA HIS 1 6.829 -10.060 1.657
5 HB2 HIS 1 HB2 HIS 1 6.673 -8.036 -0.356
6 HB3 HIS 1 HB1 HIS 1 8.372 -8.398 -0.073
7 HD1 HIS 1 HD1 HIS 1 9.122 -10.896 -0.497
8 HD2 HIS 1 HD2 HIS 1 5.267 -9.962 -1.737
9 HE1 HIS 1 HE1 HIS 1 8.437 -12.769 -2.029
10 HE2 HIS 1 HE2 HIS 1 6.135 -12.137 -2.836
11 H AIB 2 HN AIB 2 8.553 -6.977 1.308
12 HB11 AIB 2 HB11 AIB 2 11.670 -5.698 2.399
13 HB12 AIB 2 HB12 AIB 2 10.079 -4.940 2.466
14 HB13 AIB 2 HB13 AIB 2 10.541 -5.899 1.060
15 HB21 AIB 2 HB21 AIB 2 12.110 -7.650 2.944
16 HB22 AIB 2 HB22 AIB 2 11.151 -8.607 1.814
17 HB23 AIB 2 HB23 AIB 2 10.956 -8.836 3.552
18 H GLU 3 HN GLU 3 11.508 -6.060 4.626
19 HA GLU 3 HA GLU 3 9.994 -6.752 6.898
20 HB2 GLU 3 HB2 GLU 3 12.094 -4.610 6.525
21 HB3 GLU 3 HB1 GLU 3 11.447 -5.107 8.083
22 HG2 GLU 3 HG2 GLU 3 13.311 -6.388 8.048
23 HG3 GLU 3 HG1 GLU 3 12.208 -7.491 7.225
24 H GLY 4 HN GLY 4 9.837 -4.054 4.708
25 HA2 GLY 4 HA2 GLY 4 8.513 -2.177 6.308
26 HA3 GLY 4 HA1 GLY 4 8.383 -2.286 4.559
27 H LYS 5 HN LYS 5 7.222 -4.851 4.383
28 HA LYS 5 HA LYS 5 4.511 -4.246 4.583
29 HB2 LYS 5 HB2 LYS 5 5.067 -5.945 3.068
30 HB3 LYS 5 HB1 LYS 5 6.024 -6.820 4.254
31 HG2 LYS 5 HG2 LYS 5 3.104 -6.525 4.726
32 HG3 LYS 5 HG1 LYS 5 3.655 -7.673 3.507
33 HD2 LYS 5 HD2 LYS 5 4.413 -9.117 5.042
34 HD3 LYS 5 HD1 LYS 5 5.161 -7.845 6.000
35 HE2 LYS 5 HE2 LYS 5 2.531 -9.139 6.278
36 HE3 LYS 5 HE1 LYS 5 3.592 -8.458 7.506
37 HZ1 LYS 5 HZ1 LYS 5 2.617 -6.328 7.119
38 H PHE 6 HN PHE 6 6.549 -6.203 6.726
39 HA PHE 6 HA PHE 6 4.824 -7.256 8.499
40 HB2 PHE 6 HB2 PHE 6 7.508 -5.993 8.911
41 HB3 PHE 6 HB1 PHE 6 6.611 -6.612 10.293
42 HD1 PHE 6 HD1 PHE 6 8.107 -7.551 7.048
43 HD2 PHE 6 HD2 PHE 6 6.528 -8.915 10.756
44 HE1 PHE 6 HE1 PHE 6 8.940 -9.814 6.565
45 HE2 PHE 6 HE2 PHE 6 7.359 -11.182 10.281
46 HZ PHE 6 HZ PHE 6 8.567 -11.633 8.183
47 H THR 7 HN THR 7 6.120 -3.949 8.869
48 HA THR 7 HA THR 7 4.187 -3.383 10.931
49 HB THR 7 HB THR 7 6.091 -1.447 9.605
50 HG1 THR 7 HG1 THR 7 7.552 -2.623 10.593
51 HG21 THR 7 HG21 THR 7 5.814 -0.129 11.619
52 HG22 THR 7 HG22 THR 7 4.761 -1.360 12.316
53 HG23 THR 7 HG23 THR 7 4.233 -0.446 10.904
54 H SER 8 HN SER 8 4.453 -2.892 7.510
55 HA SER 8 HA SER 8 2.794 -0.697 7.126
56 HB2 SER 8 HB2 SER 8 2.601 -1.377 4.892
57 HB3 SER 8 HB1 SER 8 4.124 -2.106 5.397
58 HG SER 8 HG SER 8 2.410 -3.436 4.247
59 H GLU 9 HN GLU 9 2.014 -4.035 7.825
60 HA GLU 9 HA GLU 9 -0.847 -3.504 7.607
61 HB2 GLU 9 HB2 GLU 9 0.480 -6.115 8.323
62 HB3 GLU 9 HB1 GLU 9 -1.161 -5.867 7.742
63 HG2 GLU 9 HG2 GLU 9 -0.523 -5.737 5.588
64 HG3 GLU 9 HG1 GLU 9 0.987 -4.918 5.966
65 H PHE 10 HN PHE 10 1.594 -4.422 9.981
66 HA PHE 10 HA PHE 10 -0.182 -4.769 12.156
67 HB2 PHE 10 HB2 PHE 10 2.579 -5.024 11.730
68 HB3 PHE 10 HB1 PHE 10 2.419 -3.811 12.995
69 HD1 PHE 10 HD1 PHE 10 0.254 -4.623 14.620
70 HD2 PHE 10 HD2 PHE 10 3.111 -7.063 12.622
71 HE1 PHE 10 HE1 PHE 10 -0.112 -6.403 16.279
72 HE2 PHE 10 HE2 PHE 10 2.751 -8.848 14.278
73 HZ PHE 10 HZ PHE 10 1.137 -8.518 16.109
74 HN PH8 11 HN PH8 11 1.315 -1.982 10.713
75 HA PH8 11 HA PH8 11 -0.320 -0.247 12.381
76 HZ PH8 11 HZ PH8 11 6.288 3.437 16.096
77 HB PH8 11 HB2 PH8 11 2.635 -0.384 12.484
78 HBA PH8 11 HB1 PH8 11 1.944 1.231 12.401
79 HD1 PH8 11 HD1 PH8 11 4.943 0.241 13.618
80 HD2 PH8 11 HD2 PH8 11 2.645 1.417 17.001
81 HE1 PH8 11 HE1 PH8 11 6.607 1.976 14.139
82 HE2 PH8 11 HE2 PH8 11 4.305 3.156 17.529
83 HI PH8 11 HI2 PH8 11 1.230 1.159 14.513
84 HIA PH8 11 HI1 PH8 11 0.629 -0.492 14.352
85 HJ PH8 11 HJ1 PH8 11 3.158 -1.118 14.375
86 HJA PH8 11 HJ2 PH8 11 2.320 -0.771 15.886
87 HN1 NH2 12 H1 PHE 11 -0.169 -1.115 9.551
88 HN2 NH2 12 H2 PHE 11 -0.028 0.334 8.623
Start of MODEL 11
1 H1 HIS 1 HT1 HIS 1 6.137 -5.498 -0.106
2 H2 HIS 1 HT2 HIS 1 7.696 -5.053 -0.588
3 H3 HIS 1 HT3 HIS 1 7.373 -5.365 1.042
4 HA HIS 1 HA HIS 1 6.668 -7.686 0.200
5 HB2 HIS 1 HB2 HIS 1 8.251 -6.477 -2.049
6 HB3 HIS 1 HB1 HIS 1 8.312 -8.213 -1.763
7 HD1 HIS 1 HD1 HIS 1 5.464 -5.681 -1.965
8 HD2 HIS 1 HD2 HIS 1 6.553 -9.426 -3.398
9 HE1 HIS 1 HE1 HIS 1 3.545 -6.433 -3.405
10 HE2 HIS 1 HE2 HIS 1 4.185 -8.742 -4.183
11 H AIB 2 HN AIB 2 7.833 -7.003 2.370
12 HB11 AIB 2 HB11 AIB 2 11.896 -7.290 2.796
13 HB12 AIB 2 HB12 AIB 2 10.909 -5.847 3.027
14 HB13 AIB 2 HB13 AIB 2 11.002 -6.607 1.439
15 HB21 AIB 2 HB21 AIB 2 9.341 -9.746 2.794
16 HB22 AIB 2 HB22 AIB 2 10.964 -9.367 3.370
17 HB23 AIB 2 HB23 AIB 2 10.586 -9.239 1.652
18 H GLU 3 HN GLU 3 11.293 -7.383 4.886
19 HA GLU 3 HA GLU 3 9.612 -7.974 7.000
20 HB2 GLU 3 HB2 GLU 3 12.154 -6.505 6.677
21 HB3 GLU 3 HB1 GLU 3 11.249 -6.128 8.137
22 HG2 GLU 3 HG2 GLU 3 12.575 -7.843 8.861
23 HG3 GLU 3 HG1 GLU 3 11.119 -8.717 8.390
24 H GLY 4 HN GLY 4 9.767 -5.096 5.073
25 HA2 GLY 4 HA2 GLY 4 8.684 -3.181 6.754
26 HA3 GLY 4 HA1 GLY 4 8.422 -3.239 5.018
27 H LYS 5 HN LYS 5 7.139 -5.967 5.390
28 HA LYS 5 HA LYS 5 4.475 -5.155 5.378
29 HB2 LYS 5 HB2 LYS 5 5.292 -7.303 4.453
30 HB3 LYS 5 HB1 LYS 5 5.540 -7.893 6.091
31 HG2 LYS 5 HG2 LYS 5 2.871 -6.931 5.873
32 HG3 LYS 5 HG1 LYS 5 3.198 -8.006 4.514
33 HD2 LYS 5 HD2 LYS 5 2.321 -9.290 6.361
34 HD3 LYS 5 HD1 LYS 5 4.015 -9.712 6.108
35 HE2 LYS 5 HE2 LYS 5 3.580 -9.485 8.472
36 HE3 LYS 5 HE1 LYS 5 4.640 -8.183 7.938
37 HZ1 LYS 5 HZ1 LYS 5 3.074 -6.826 8.888
38 H PHE 6 HN PHE 6 6.456 -6.431 8.016
39 HA PHE 6 HA PHE 6 4.661 -6.903 9.994
40 HB2 PHE 6 HB2 PHE 6 7.302 -6.823 9.988
41 HB3 PHE 6 HB1 PHE 6 7.038 -5.242 10.715
42 HD1 PHE 6 HD2 PHE 6 4.884 -5.524 12.516
43 HD2 PHE 6 HD1 PHE 6 7.916 -8.357 11.573
44 HE1 PHE 6 HE2 PHE 6 4.571 -6.584 14.714
45 HE2 PHE 6 HE1 PHE 6 7.609 -9.423 13.770
46 HZ PHE 6 HZ PHE 6 5.935 -8.535 15.344
47 H THR 7 HN THR 7 6.061 -3.704 9.296
48 HA THR 7 HA THR 7 4.146 -2.417 11.046
49 HB THR 7 HB THR 7 5.932 -0.877 9.204
50 HG1 THR 7 HG1 THR 7 7.500 -2.132 9.987
51 HG21 THR 7 HG21 THR 7 4.576 0.492 10.556
52 HG22 THR 7 HG22 THR 7 6.144 0.477 11.364
53 HG23 THR 7 HG23 THR 7 4.826 -0.520 11.978
54 H SER 8 HN SER 8 4.392 -3.239 7.726
55 HA SER 8 HA SER 8 2.840 -1.183 6.584
56 HB2 SER 8 HB2 SER 8 4.283 -2.999 5.426
57 HB3 SER 8 HB1 SER 8 2.841 -4.006 5.544
58 HG SER 8 HG SER 8 1.719 -2.326 4.410
59 H GLU 9 HN GLU 9 1.953 -4.402 7.807
60 HA GLU 9 HA GLU 9 -0.867 -3.820 7.420
61 HB2 GLU 9 HB2 GLU 9 -1.277 -6.100 8.022
62 HB3 GLU 9 HB1 GLU 9 0.102 -6.078 6.933
63 HG2 GLU 9 HG2 GLU 9 1.254 -5.904 9.430
64 HG3 GLU 9 HG1 GLU 9 -0.098 -7.009 9.671
65 H PHE 10 HN PHE 10 1.472 -4.055 10.022
66 HA PHE 10 HA PHE 10 -0.472 -3.954 12.126
67 HB2 PHE 10 HB2 PHE 10 1.747 -4.937 12.497
68 HB3 PHE 10 HB1 PHE 10 2.500 -3.377 12.181
69 HD1 PHE 10 HD1 PHE 10 -0.289 -4.634 14.328
70 HD2 PHE 10 HD2 PHE 10 3.277 -2.327 14.057
71 HE1 PHE 10 HE1 PHE 10 -0.483 -4.062 16.713
72 HE2 PHE 10 HE2 PHE 10 3.090 -1.752 16.442
73 HZ PHE 10 HZ PHE 10 1.209 -2.620 17.773
74 HN PH8 11 HN PH8 11 1.552 -1.619 10.438
75 HA PH8 11 HA PH8 11 -0.067 0.535 11.608
76 HZ PH8 11 HZ PH8 11 2.991 1.864 19.195
77 HB PH8 11 HB2 PH8 11 2.877 0.212 11.635
78 HBA PH8 11 HB1 PH8 11 2.282 1.817 11.236
79 HD1 PH8 11 HD1 PH8 11 1.038 2.529 15.465
80 HD2 PH8 11 HD2 PH8 11 5.054 1.124 15.538
81 HE1 PH8 11 HE1 PH8 11 0.998 2.556 17.925
82 HE2 PH8 11 HE2 PH8 11 5.022 1.147 17.999
83 HI PH8 11 HI2 PH8 11 1.001 1.857 13.321
84 HIA PH8 11 HI1 PH8 11 1.618 0.253 13.722
85 HJ PH8 11 HJ1 PH8 11 3.149 2.830 13.488
86 HJA PH8 11 HJ2 PH8 11 3.940 1.254 13.516
87 HN1 NH2 12 H1 PHE 11 -0.197 -0.891 9.057
88 HN2 NH2 12 H2 PHE 11 0.026 0.293 7.820
Start of MODEL 12
1 H1 HIS 1 HT1 HIS 1 4.626 -6.846 2.260
2 H2 HIS 1 HT2 HIS 1 5.162 -8.344 1.686
3 H3 HIS 1 HT3 HIS 1 4.389 -7.266 0.638
4 HA HIS 1 HA HIS 1 6.557 -6.932 0.053
5 HB2 HIS 1 HB2 HIS 1 6.279 -5.024 2.380
6 HB3 HIS 1 HB1 HIS 1 7.133 -4.754 0.865
7 HD1 HIS 1 HD1 HIS 1 5.863 -3.541 -0.890
8 HD2 HIS 1 HD2 HIS 1 3.358 -5.216 1.972
9 HE1 HIS 1 HE1 HIS 1 3.552 -2.734 -1.464
10 HE2 HIS 1 HE2 HIS 1 2.064 -3.696 0.327
11 H AIB 2 HN AIB 2 8.779 -6.009 1.200
12 HB11 AIB 2 HB11 AIB 2 11.948 -6.999 2.407
13 HB12 AIB 2 HB12 AIB 2 11.072 -5.511 2.763
14 HB13 AIB 2 HB13 AIB 2 11.023 -6.196 1.139
15 HB21 AIB 2 HB21 AIB 2 11.151 -8.913 2.439
16 HB22 AIB 2 HB22 AIB 2 9.914 -8.859 1.183
17 HB23 AIB 2 HB23 AIB 2 9.482 -9.330 2.827
18 H GLU 3 HN GLU 3 11.502 -7.274 4.490
19 HA GLU 3 HA GLU 3 9.972 -7.914 6.689
20 HB2 GLU 3 HB2 GLU 3 12.470 -6.264 6.406
21 HB3 GLU 3 HB1 GLU 3 11.740 -6.544 7.981
22 HG2 GLU 3 HG2 GLU 3 11.852 -9.040 7.325
23 HG3 GLU 3 HG1 GLU 3 13.017 -8.498 6.117
24 H GLY 4 HN GLY 4 10.257 -4.845 5.056
25 HA2 GLY 4 HA2 GLY 4 9.247 -3.166 7.070
26 HA3 GLY 4 HA1 GLY 4 9.155 -2.851 5.345
27 H LYS 5 HN LYS 5 7.655 -5.498 5.066
28 HA LYS 5 HA LYS 5 5.069 -4.421 5.050
29 HB2 LYS 5 HB2 LYS 5 4.325 -6.501 4.298
30 HB3 LYS 5 HB1 LYS 5 5.997 -6.455 3.763
31 HG2 LYS 5 HG2 LYS 5 6.229 -8.448 4.705
32 HG3 LYS 5 HG1 LYS 5 6.139 -7.631 6.264
33 HD2 LYS 5 HD2 LYS 5 3.554 -8.221 4.971
34 HD3 LYS 5 HD1 LYS 5 4.480 -9.623 5.508
35 HE2 LYS 5 HE2 LYS 5 3.529 -9.254 7.501
36 HE3 LYS 5 HE1 LYS 5 4.693 -7.943 7.647
37 HZ1 LYS 5 HZ1 LYS 5 2.916 -6.512 7.630
38 H PHE 6 HN PHE 6 6.833 -6.219 7.481
39 HA PHE 6 HA PHE 6 4.882 -7.075 9.199
40 HB2 PHE 6 HB2 PHE 6 7.572 -6.943 9.344
41 HB3 PHE 6 HB1 PHE 6 7.152 -5.670 10.486
42 HD1 PHE 6 HD1 PHE 6 5.541 -8.948 9.749
43 HD2 PHE 6 HD2 PHE 6 7.511 -6.487 12.607
44 HE1 PHE 6 HE1 PHE 6 5.133 -10.644 11.485
45 HE2 PHE 6 HE2 PHE 6 7.108 -8.178 14.348
46 HZ PHE 6 HZ PHE 6 5.917 -10.260 13.787
47 H THR 7 HN THR 7 6.107 -3.804 8.785
48 HA THR 7 HA THR 7 4.334 -2.818 10.855
49 HB THR 7 HB THR 7 6.587 -1.849 10.698
50 HG1 THR 7 HG1 THR 7 5.590 -0.161 11.474
51 HG21 THR 7 HG21 THR 7 6.804 -0.128 8.726
52 HG22 THR 7 HG22 THR 7 5.700 -1.237 7.915
53 HG23 THR 7 HG23 THR 7 7.260 -1.816 8.498
54 H SER 8 HN SER 8 4.537 -2.924 7.374
55 HA SER 8 HA SER 8 2.657 -0.952 6.736
56 HB2 SER 8 HB2 SER 8 3.287 -3.549 5.309
57 HB3 SER 8 HB1 SER 8 2.334 -2.235 4.620
58 HG SER 8 HG SER 8 5.070 -2.412 5.063
59 H GLU 9 HN GLU 9 2.306 -4.145 8.027
60 HA GLU 9 HA GLU 9 -0.576 -4.155 7.584
61 HB2 GLU 9 HB2 GLU 9 1.312 -6.233 8.692
62 HB3 GLU 9 HB1 GLU 9 -0.431 -6.449 8.600
63 HG2 GLU 9 HG2 GLU 9 -0.399 -6.839 6.398
64 HG3 GLU 9 HG1 GLU 9 0.840 -5.630 6.090
65 H PHE 10 HN PHE 10 1.766 -4.246 10.237
66 HA PHE 10 HA PHE 10 -0.050 -4.356 12.359
67 HB2 PHE 10 HB2 PHE 10 2.717 -4.155 12.092
68 HB3 PHE 10 HB1 PHE 10 2.263 -2.698 12.967
69 HD1 PHE 10 HD1 PHE 10 0.977 -6.198 13.053
70 HD2 PHE 10 HD2 PHE 10 2.741 -2.970 15.193
71 HE1 PHE 10 HE1 PHE 10 0.827 -7.502 15.135
72 HE2 PHE 10 HE2 PHE 10 2.595 -4.268 17.279
73 HZ PHE 10 HZ PHE 10 1.637 -6.537 17.251
74 HN PH8 11 HN PH8 11 1.064 -1.672 10.413
75 HA PH8 11 HA PH8 11 -1.054 -0.010 11.526
76 HZ PH8 11 HZ PH8 11 5.088 0.423 17.967
77 HB PH8 11 HB2 PH8 11 1.786 1.002 11.324
78 HBA PH8 11 HB1 PH8 11 0.391 1.886 11.926
79 HD1 PH8 11 HD1 PH8 11 1.636 -0.662 15.712
80 HD2 PH8 11 HD2 PH8 11 3.518 3.095 15.040
81 HE1 PH8 11 HE1 PH8 11 3.306 -1.194 17.439
82 HE2 PH8 11 HE2 PH8 11 5.192 2.570 16.765
83 HI PH8 11 HI2 PH8 11 0.290 -0.123 13.632
84 HIA PH8 11 HI1 PH8 11 2.005 -0.235 13.231
85 HJ PH8 11 HJ1 PH8 11 0.527 1.860 14.702
86 HJA PH8 11 HJ2 PH8 11 1.811 2.409 13.626
87 HN1 NH2 12 H1 PHE 11 -0.472 -1.383 8.980
88 HN2 NH2 12 H2 PHE 11 -0.494 -0.157 7.764
Start of MODEL 13
1 H1 HIS 1 HT1 HIS 1 6.745 -7.948 0.864
2 H2 HIS 1 HT2 HIS 1 7.506 -9.457 0.920
3 H3 HIS 1 HT3 HIS 1 6.586 -9.024 -0.432
4 HA HIS 1 HA HIS 1 8.735 -8.708 -1.168
5 HB2 HIS 1 HB2 HIS 1 7.171 -6.739 -1.414
6 HB3 HIS 1 HB1 HIS 1 7.965 -6.020 -0.016
7 HD1 HIS 1 HD1 HIS 1 8.309 -4.207 -2.154
8 HD2 HIS 1 HD2 HIS 1 10.708 -7.595 -1.980
9 HE1 HIS 1 HE1 HIS 1 10.309 -3.689 -3.587
10 HE2 HIS 1 HE2 HIS 1 11.705 -5.785 -3.536
11 H AIB 2 HN AIB 2 8.339 -7.577 2.143
12 HB11 AIB 2 HB11 AIB 2 12.215 -6.682 3.120
13 HB12 AIB 2 HB12 AIB 2 10.872 -5.553 2.943
14 HB13 AIB 2 HB13 AIB 2 11.436 -6.478 1.552
15 HB21 AIB 2 HB21 AIB 2 10.395 -9.732 3.159
16 HB22 AIB 2 HB22 AIB 2 11.730 -8.867 3.921
17 HB23 AIB 2 HB23 AIB 2 11.674 -9.035 2.166
18 H GLU 3 HN GLU 3 11.392 -6.984 5.158
19 HA GLU 3 HA GLU 3 9.310 -7.536 6.961
20 HB2 GLU 3 HB2 GLU 3 10.649 -6.357 8.613
21 HB3 GLU 3 HB1 GLU 3 11.677 -7.381 7.619
22 HG2 GLU 3 HG2 GLU 3 11.441 -4.698 6.548
23 HG3 GLU 3 HG1 GLU 3 12.070 -4.713 8.195
24 H GLY 4 HN GLY 4 9.794 -4.881 4.853
25 HA2 GLY 4 HA2 GLY 4 8.724 -2.714 6.156
26 HA3 GLY 4 HA1 GLY 4 8.488 -3.032 4.445
27 H LYS 5 HN LYS 5 6.921 -5.338 4.582
28 HA LYS 5 HA LYS 5 4.361 -4.257 4.903
29 HB2 LYS 5 HB2 LYS 5 4.842 -6.198 3.470
30 HB3 LYS 5 HB1 LYS 5 5.170 -7.170 4.898
31 HG2 LYS 5 HG2 LYS 5 2.603 -5.981 5.192
32 HG3 LYS 5 HG1 LYS 5 2.700 -6.729 3.597
33 HD2 LYS 5 HD2 LYS 5 1.863 -8.330 5.210
34 HD3 LYS 5 HD1 LYS 5 3.464 -8.821 4.653
35 HE2 LYS 5 HE2 LYS 5 3.359 -9.136 7.026
36 HE3 LYS 5 HE1 LYS 5 4.427 -7.775 6.692
37 HZ1 LYS 5 HZ1 LYS 5 3.069 -6.635 8.119
38 H PHE 6 HN PHE 6 6.390 -6.101 7.098
39 HA PHE 6 HA PHE 6 4.741 -6.972 9.048
40 HB2 PHE 6 HB2 PHE 6 7.317 -6.941 8.969
41 HB3 PHE 6 HB1 PHE 6 7.190 -5.392 9.796
42 HD1 PHE 6 HD1 PHE 6 5.218 -8.521 10.216
43 HD2 PHE 6 HD2 PHE 6 7.938 -5.746 11.951
44 HE1 PHE 6 HE1 PHE 6 5.033 -9.693 12.372
45 HE2 PHE 6 HE2 PHE 6 7.759 -6.914 14.109
46 HZ PHE 6 HZ PHE 6 6.305 -8.890 14.321
47 H THR 7 HN THR 7 6.142 -3.690 9.131
48 HA THR 7 HA THR 7 4.295 -2.832 11.148
49 HB THR 7 HB THR 7 5.944 -0.958 9.473
50 HG1 THR 7 HG1 THR 7 7.638 -2.050 10.124
51 HG21 THR 7 HG21 THR 7 4.323 -0.714 11.789
52 HG22 THR 7 HG22 THR 7 5.291 0.529 10.996
53 HG23 THR 7 HG23 THR 7 5.998 -0.455 12.278
54 H SER 8 HN SER 8 4.337 -2.862 7.693
55 HA SER 8 HA SER 8 2.669 -0.725 7.076
56 HB2 SER 8 HB2 SER 8 3.931 -2.396 5.525
57 HB3 SER 8 HB1 SER 8 2.443 -3.338 5.612
58 HG SER 8 HG SER 8 2.844 -0.749 4.563
59 H GLU 9 HN GLU 9 1.751 -4.116 7.702
60 HA GLU 9 HA GLU 9 -1.052 -3.440 7.725
61 HB2 GLU 9 HB2 GLU 9 -1.408 -5.815 8.229
62 HB3 GLU 9 HB1 GLU 9 -0.349 -5.599 6.843
63 HG2 GLU 9 HG2 GLU 9 1.377 -5.731 9.006
64 HG3 GLU 9 HG1 GLU 9 0.138 -6.934 9.358
65 H PHE 10 HN PHE 10 1.468 -4.067 10.087
66 HA PHE 10 HA PHE 10 -0.099 -4.432 12.367
67 HB2 PHE 10 HB2 PHE 10 2.673 -3.859 11.781
68 HB3 PHE 10 HB1 PHE 10 2.143 -2.945 13.188
69 HD1 PHE 10 HD1 PHE 10 1.127 -6.333 12.042
70 HD2 PHE 10 HD2 PHE 10 3.113 -4.005 14.999
71 HE1 PHE 10 HE1 PHE 10 1.388 -8.340 13.441
72 HE2 PHE 10 HE2 PHE 10 3.379 -6.008 16.404
73 HZ PHE 10 HZ PHE 10 2.516 -8.180 15.625
74 HN PH8 11 HN PH8 11 1.489 -1.409 11.349
75 HA PH8 11 HA PH8 11 -0.587 0.083 12.803
76 HZ PH8 11 HZ PH8 11 -1.452 -0.805 18.582
77 HB PH8 11 HB2 PH8 11 2.075 0.296 13.122
78 HBA PH8 11 HB1 PH8 11 1.850 1.467 11.830
79 HD1 PH8 11 HD1 PH8 11 0.712 -0.767 14.910
80 HD2 PH8 11 HD2 PH8 11 0.574 2.730 17.330
81 HE1 PH8 11 HE1 PH8 11 -0.684 -1.960 16.547
82 HE2 PH8 11 HE2 PH8 11 -0.821 1.544 18.973
83 HI PH8 11 HI2 PH8 11 1.162 2.975 13.290
84 HIA PH8 11 HI1 PH8 11 -0.156 1.914 13.791
85 HJ PH8 11 HJ1 PH8 11 1.839 2.755 15.419
86 HJA PH8 11 HJ2 PH8 11 2.493 1.217 14.859
87 HN1 NH2 12 H1 PHE 11 0.912 -0.419 9.718
88 HN2 NH2 12 H2 PHE 11 -0.099 0.647 8.811
Start of MODEL 14
1 H1 HIS 1 HT1 HIS 1 12.000 -10.402 -0.265
2 H2 HIS 1 HT2 HIS 1 11.162 -8.961 -0.554
3 H3 HIS 1 HT3 HIS 1 10.315 -10.360 -0.123
4 HA HIS 1 HA HIS 1 11.706 -10.311 2.003
5 HB2 HIS 1 HB2 HIS 1 11.854 -7.401 1.194
6 HB3 HIS 1 HB1 HIS 1 12.549 -8.144 2.630
7 HD1 HIS 1 HD1 HIS 1 13.991 -6.581 0.134
8 HD2 HIS 1 HD2 HIS 1 14.089 -10.634 1.048
9 HE1 HIS 1 HE1 HIS 1 16.082 -7.464 -0.948
10 HE2 HIS 1 HE2 HIS 1 16.081 -9.933 -0.446
11 H AIB 2 HN AIB 2 9.889 -7.453 0.878
12 HB11 AIB 2 HB11 AIB 2 7.234 -8.967 0.832
13 HB12 AIB 2 HB12 AIB 2 6.084 -8.015 1.771
14 HB13 AIB 2 HB13 AIB 2 7.065 -9.247 2.565
15 HB21 AIB 2 HB21 AIB 2 8.308 -5.366 1.718
16 HB22 AIB 2 HB22 AIB 2 6.691 -6.013 1.437
17 HB23 AIB 2 HB23 AIB 2 7.977 -6.313 0.268
18 H GLU 3 HN GLU 3 10.164 -6.767 3.406
19 HA GLU 3 HA GLU 3 9.220 -7.362 6.012
20 HB2 GLU 3 HB2 GLU 3 11.528 -5.628 5.114
21 HB3 GLU 3 HB1 GLU 3 11.246 -6.141 6.772
22 HG2 GLU 3 HG2 GLU 3 11.542 -8.456 6.138
23 HG3 GLU 3 HG1 GLU 3 11.736 -7.991 4.449
24 H GLY 4 HN GLY 4 9.061 -4.536 3.984
25 HA2 GLY 4 HA2 GLY 4 8.534 -2.624 6.008
26 HA3 GLY 4 HA1 GLY 4 8.142 -2.455 4.304
27 H LYS 5 HN LYS 5 6.491 -4.894 4.296
28 HA LYS 5 HA LYS 5 4.005 -3.709 4.889
29 HB2 LYS 5 HB2 LYS 5 4.267 -5.464 3.192
30 HB3 LYS 5 HB1 LYS 5 4.668 -6.626 4.449
31 HG2 LYS 5 HG2 LYS 5 2.190 -5.409 5.122
32 HG3 LYS 5 HG1 LYS 5 2.119 -5.927 3.438
33 HD2 LYS 5 HD2 LYS 5 1.350 -7.726 4.835
34 HD3 LYS 5 HD1 LYS 5 2.915 -8.170 4.151
35 HE2 LYS 5 HE2 LYS 5 2.842 -8.787 6.487
36 HE3 LYS 5 HE1 LYS 5 3.999 -7.478 6.253
37 HZ1 LYS 5 HZ1 LYS 5 2.794 -6.408 7.859
38 H PHE 6 HN PHE 6 6.062 -5.935 6.670
39 HA PHE 6 HA PHE 6 4.490 -6.955 8.611
40 HB2 PHE 6 HB2 PHE 6 7.266 -6.391 8.331
41 HB3 PHE 6 HB1 PHE 6 6.786 -5.938 9.963
42 HD1 PHE 6 HD1 PHE 6 6.577 -8.730 7.519
43 HD2 PHE 6 HD2 PHE 6 6.596 -7.555 11.609
44 HE1 PHE 6 HE1 PHE 6 6.661 -11.095 8.194
45 HE2 PHE 6 HE2 PHE 6 6.681 -9.918 12.292
46 HZ PHE 6 HZ PHE 6 6.714 -11.691 10.583
47 H THR 7 HN THR 7 6.112 -3.795 8.997
48 HA THR 7 HA THR 7 4.458 -3.123 11.251
49 HB THR 7 HB THR 7 6.136 -1.108 9.798
50 HG1 THR 7 HG1 THR 7 7.887 -2.209 10.213
51 HG21 THR 7 HG21 THR 7 6.573 -0.356 12.122
52 HG22 THR 7 HG22 THR 7 5.496 -1.626 12.703
53 HG23 THR 7 HG23 THR 7 4.861 -0.323 11.697
54 H SER 8 HN SER 8 4.328 -2.626 7.831
55 HA SER 8 HA SER 8 2.798 -0.297 7.686
56 HB2 SER 8 HB2 SER 8 2.545 -0.776 5.450
57 HB3 SER 8 HB1 SER 8 3.901 -1.838 5.826
58 HG SER 8 HG SER 8 2.350 -3.528 6.118
59 H GLU 9 HN GLU 9 1.773 -3.679 8.014
60 HA GLU 9 HA GLU 9 -1.014 -2.857 8.187
61 HB2 GLU 9 HB2 GLU 9 -1.549 -5.215 8.164
62 HB3 GLU 9 HB1 GLU 9 -0.406 -4.863 6.877
63 HG2 GLU 9 HG2 GLU 9 1.226 -5.549 8.976
64 HG3 GLU 9 HG1 GLU 9 -0.156 -6.626 9.174
65 H PHE 10 HN PHE 10 1.586 -3.918 10.263
66 HA PHE 10 HA PHE 10 0.173 -4.760 12.505
67 HB2 PHE 10 HB2 PHE 10 2.856 -4.126 11.891
68 HB3 PHE 10 HB1 PHE 10 2.445 -3.185 13.320
69 HD1 PHE 10 HD2 PHE 10 0.599 -4.970 14.721
70 HD2 PHE 10 HD1 PHE 10 4.211 -5.838 12.645
71 HE1 PHE 10 HE2 PHE 10 0.924 -6.963 16.127
72 HE2 PHE 10 HE1 PHE 10 4.542 -7.833 14.047
73 HZ PHE 10 HZ PHE 10 2.897 -8.397 15.791
74 HN PH8 11 HN PH8 11 0.826 -1.545 11.313
75 HA PH8 11 HA PH8 11 -1.252 -0.435 12.955
76 HZ PH8 11 HZ PH8 11 4.046 1.269 19.055
77 HB PH8 11 HB2 PH8 11 0.115 1.230 14.086
78 HBA PH8 11 HB1 PH8 11 0.655 -0.386 14.519
79 HD1 PH8 11 HD1 PH8 11 0.961 1.344 16.114
80 HD2 PH8 11 HD2 PH8 11 4.985 2.157 14.993
81 HE1 PH8 11 HE1 PH8 11 1.672 1.023 18.447
82 HE2 PH8 11 HE2 PH8 11 5.703 1.837 17.324
83 HI PH8 11 HI2 PH8 11 2.673 -0.115 13.564
84 HIA PH8 11 HI1 PH8 11 2.031 0.838 12.224
85 HJ PH8 11 HJ1 PH8 11 1.684 2.688 13.963
86 HJA PH8 11 HJ2 PH8 11 3.327 2.362 13.416
87 HN1 NH2 12 H1 PHE 11 -0.602 -0.772 10.153
88 HN2 NH2 12 H2 PHE 11 -0.542 0.801 9.446
Start of MODEL 15
1 H1 HIS 1 HT1 HIS 1 12.198 -10.485 1.070
2 H2 HIS 1 HT2 HIS 1 11.724 -9.066 1.858
3 H3 HIS 1 HT3 HIS 1 11.567 -9.193 0.178
4 HA HIS 1 HA HIS 1 9.784 -10.624 0.288
5 HB2 HIS 1 HB2 HIS 1 11.197 -11.836 2.236
6 HB3 HIS 1 HB1 HIS 1 9.948 -11.078 3.218
7 HD1 HIS 1 HD1 HIS 1 7.401 -11.666 2.361
8 HD2 HIS 1 HD2 HIS 1 10.459 -14.220 1.185
9 HE1 HIS 1 HE1 HIS 1 6.265 -13.798 1.665
10 HE2 HIS 1 HE2 HIS 1 8.142 -15.361 1.049
11 H AIB 2 HN AIB 2 10.244 -7.760 0.883
12 HB11 AIB 2 HB11 AIB 2 7.237 -7.440 0.335
13 HB12 AIB 2 HB12 AIB 2 6.701 -6.051 1.281
14 HB13 AIB 2 HB13 AIB 2 6.648 -7.669 1.981
15 HB21 AIB 2 HB21 AIB 2 10.225 -5.545 1.314
16 HB22 AIB 2 HB22 AIB 2 8.785 -4.699 1.881
17 HB23 AIB 2 HB23 AIB 2 8.812 -5.413 0.268
18 H GLU 3 HN GLU 3 10.499 -6.175 3.411
19 HA GLU 3 HA GLU 3 9.466 -7.201 5.847
20 HB2 GLU 3 HB2 GLU 3 11.873 -6.932 5.448
21 HB3 GLU 3 HB1 GLU 3 11.672 -5.186 5.378
22 HG2 GLU 3 HG2 GLU 3 11.342 -4.993 7.644
23 HG3 GLU 3 HG1 GLU 3 10.793 -6.660 7.813
24 H GLY 4 HN GLY 4 9.283 -4.100 4.250
25 HA2 GLY 4 HA2 GLY 4 8.486 -2.540 6.462
26 HA3 GLY 4 HA1 GLY 4 8.174 -2.161 4.776
27 H LYS 5 HN LYS 5 6.731 -4.767 4.447
28 HA LYS 5 HA LYS 5 4.125 -3.836 4.850
29 HB2 LYS 5 HB2 LYS 5 4.699 -5.573 3.210
30 HB3 LYS 5 HB1 LYS 5 5.069 -6.690 4.517
31 HG2 LYS 5 HG2 LYS 5 2.416 -5.591 4.806
32 HG3 LYS 5 HG1 LYS 5 2.629 -6.355 3.231
33 HD2 LYS 5 HD2 LYS 5 1.994 -8.180 4.450
34 HD3 LYS 5 HD1 LYS 5 3.738 -8.255 4.703
35 HE2 LYS 5 HE2 LYS 5 2.263 -8.529 6.756
36 HE3 LYS 5 HE1 LYS 5 3.569 -7.354 6.865
37 HZ1 LYS 5 HZ1 LYS 5 1.933 -5.860 7.401
38 H PHE 6 HN PHE 6 6.067 -6.119 6.746
39 HA PHE 6 HA PHE 6 4.341 -7.095 8.573
40 HB2 PHE 6 HB2 PHE 6 7.012 -7.106 8.400
41 HB3 PHE 6 HB1 PHE 6 6.834 -5.974 9.736
42 HD1 PHE 6 HD2 PHE 6 5.732 -6.692 11.825
43 HD2 PHE 6 HD1 PHE 6 6.593 -9.424 8.678
44 HE1 PHE 6 HE2 PHE 6 5.438 -8.574 13.383
45 HE2 PHE 6 HE1 PHE 6 6.299 -11.311 10.229
46 HZ PHE 6 HZ PHE 6 5.722 -10.887 12.586
47 H THR 7 HN THR 7 5.809 -3.864 8.744
48 HA THR 7 HA THR 7 4.224 -3.222 11.079
49 HB THR 7 HB THR 7 5.962 -1.302 9.534
50 HG1 THR 7 HG1 THR 7 6.759 -2.967 11.707
51 HG21 THR 7 HG21 THR 7 4.996 -1.410 12.392
52 HG22 THR 7 HG22 THR 7 4.541 -0.236 11.157
53 HG23 THR 7 HG23 THR 7 6.187 -0.258 11.788
54 H SER 8 HN SER 8 4.190 -2.623 7.646
55 HA SER 8 HA SER 8 2.538 -0.408 7.479
56 HB2 SER 8 HB2 SER 8 2.075 -1.055 5.255
57 HB3 SER 8 HB1 SER 8 3.669 -1.733 5.586
58 HG SER 8 HG SER 8 1.919 -3.117 4.588
59 H GLU 9 HN GLU 9 1.762 -3.741 8.196
60 HA GLU 9 HA GLU 9 -1.097 -3.147 8.255
61 HB2 GLU 9 HB2 GLU 9 0.374 -5.762 8.613
62 HB3 GLU 9 HB1 GLU 9 -1.375 -5.577 8.578
63 HG2 GLU 9 HG2 GLU 9 -1.435 -5.502 6.357
64 HG3 GLU 9 HG1 GLU 9 -0.058 -4.409 6.262
65 H PHE 10 HN PHE 10 1.539 -4.171 10.366
66 HA PHE 10 HA PHE 10 0.092 -4.655 12.696
67 HB2 PHE 10 HB2 PHE 10 2.493 -5.161 12.453
68 HB3 PHE 10 HB1 PHE 10 2.854 -3.439 12.460
69 HD1 PHE 10 HD2 PHE 10 0.971 -5.890 14.555
70 HD2 PHE 10 HD1 PHE 10 3.631 -2.571 14.426
71 HE1 PHE 10 HE2 PHE 10 1.147 -5.941 17.009
72 HE2 PHE 10 HE1 PHE 10 3.813 -2.616 16.879
73 HZ PHE 10 HZ PHE 10 2.569 -4.302 18.174
74 HN PH8 11 HN PH8 11 0.986 -1.665 11.167
75 HA PH8 11 HA PH8 11 -0.830 -0.187 12.819
76 HZ PH8 11 HZ PH8 11 5.429 5.443 10.575
77 HB PH8 11 HB2 PH8 11 0.800 1.430 13.674
78 HBA PH8 11 HB1 PH8 11 1.132 -0.186 14.282
79 HD1 PH8 11 HD1 PH8 11 2.255 3.956 13.002
80 HD2 PH8 11 HD2 PH8 11 5.751 1.605 12.403
81 HE1 PH8 11 HE1 PH8 11 3.201 5.732 11.585
82 HE2 PH8 11 HE2 PH8 11 6.704 3.376 10.985
83 HI PH8 11 HI2 PH8 11 3.040 -0.421 12.998
84 HIA PH8 11 HI1 PH8 11 2.540 0.819 11.847
85 HJ PH8 11 HJ1 PH8 11 4.174 1.083 14.169
86 HJA PH8 11 HJ2 PH8 11 2.713 2.043 14.392
87 HN1 NH2 12 H1 PHE 11 -0.394 -0.827 10.015
88 HN2 NH2 12 H2 PHE 11 -0.241 0.676 9.178
Start of MODEL 16
1 H1 HIS 1 HT1 HIS 1 8.047 -11.093 0.828
2 H2 HIS 1 HT2 HIS 1 9.115 -12.350 1.203
3 H3 HIS 1 HT3 HIS 1 9.386 -11.391 -0.163
4 HA HIS 1 HA HIS 1 9.793 -10.752 2.673
5 HB2 HIS 1 HB2 HIS 1 11.346 -10.946 0.178
6 HB3 HIS 1 HB1 HIS 1 11.750 -9.553 1.176
7 HD1 HIS 1 HD1 HIS 1 12.366 -13.123 0.833
8 HD2 HIS 1 HD2 HIS 1 12.554 -10.311 3.887
9 HE1 HIS 1 HE1 HIS 1 13.766 -14.180 2.635
10 HE2 HIS 1 HE2 HIS 1 13.790 -12.497 4.509
11 H AIB 2 HN AIB 2 9.517 -8.744 3.478
12 HB11 AIB 2 HB11 AIB 2 7.436 -7.054 0.999
13 HB12 AIB 2 HB12 AIB 2 6.988 -5.869 2.226
14 HB13 AIB 2 HB13 AIB 2 6.764 -7.591 2.538
15 HB21 AIB 2 HB21 AIB 2 9.536 -5.030 2.020
16 HB22 AIB 2 HB22 AIB 2 9.478 -6.244 0.742
17 HB23 AIB 2 HB23 AIB 2 10.730 -6.327 1.981
18 H GLU 3 HN GLU 3 10.772 -6.171 4.039
19 HA GLU 3 HA GLU 3 9.829 -6.360 6.633
20 HB2 GLU 3 HB2 GLU 3 12.190 -6.014 6.072
21 HB3 GLU 3 HB1 GLU 3 11.831 -4.381 5.530
22 HG2 GLU 3 HG2 GLU 3 12.663 -4.012 7.636
23 HG3 GLU 3 HG1 GLU 3 10.927 -4.055 7.938
24 H GLY 4 HN GLY 4 9.252 -3.887 4.251
25 HA2 GLY 4 HA2 GLY 4 8.337 -1.880 6.061
26 HA3 GLY 4 HA1 GLY 4 8.066 -1.914 4.325
27 H LYS 5 HN LYS 5 6.654 -4.272 4.035
28 HA LYS 5 HA LYS 5 4.049 -3.468 4.645
29 HB2 LYS 5 HB2 LYS 5 3.363 -5.319 3.492
30 HB3 LYS 5 HB1 LYS 5 5.028 -5.250 2.939
31 HG2 LYS 5 HG2 LYS 5 5.025 -7.423 3.492
32 HG3 LYS 5 HG1 LYS 5 5.315 -6.811 5.121
33 HD2 LYS 5 HD2 LYS 5 2.520 -6.741 4.689
34 HD3 LYS 5 HD1 LYS 5 3.090 -8.312 4.126
35 HE2 LYS 5 HE2 LYS 5 3.113 -8.989 6.242
36 HE3 LYS 5 HE1 LYS 5 4.425 -7.851 6.543
37 HZ1 LYS 5 HZ1 LYS 5 2.958 -6.551 7.710
38 H PHE 6 HN PHE 6 6.343 -5.343 6.461
39 HA PHE 6 HA PHE 6 4.807 -6.766 8.223
40 HB2 PHE 6 HB2 PHE 6 7.277 -6.773 8.196
41 HB3 PHE 6 HB1 PHE 6 7.281 -5.170 8.921
42 HD1 PHE 6 HD1 PHE 6 5.537 -8.401 9.612
43 HD2 PHE 6 HD2 PHE 6 7.871 -5.181 11.127
44 HE1 PHE 6 HE1 PHE 6 5.479 -9.417 11.852
45 HE2 PHE 6 HE2 PHE 6 7.817 -6.191 13.369
46 HZ PHE 6 HZ PHE 6 6.621 -8.313 13.734
47 H THR 7 HN THR 7 6.125 -3.576 9.093
48 HA THR 7 HA THR 7 4.248 -3.192 11.189
49 HB THR 7 HB THR 7 5.887 -1.038 9.852
50 HG1 THR 7 HG1 THR 7 6.603 -2.999 11.777
51 HG21 THR 7 HG21 THR 7 4.417 -0.004 11.342
52 HG22 THR 7 HG22 THR 7 5.878 -0.229 12.305
53 HG23 THR 7 HG23 THR 7 4.513 -1.328 12.504
54 H SER 8 HN SER 8 4.138 -2.611 7.801
55 HA SER 8 HA SER 8 2.376 -0.446 7.669
56 HB2 SER 8 HB2 SER 8 3.614 -1.423 5.730
57 HB3 SER 8 HB1 SER 8 2.497 -2.787 5.755
58 HG SER 8 HG SER 8 1.035 -1.594 4.825
59 H GLU 9 HN GLU 9 1.566 -3.910 7.342
60 HA GLU 9 HA GLU 9 -1.230 -3.445 7.597
61 HB2 GLU 9 HB2 GLU 9 -1.478 -5.828 7.528
62 HB3 GLU 9 HB1 GLU 9 -0.217 -5.383 6.387
63 HG2 GLU 9 HG2 GLU 9 1.207 -5.863 8.672
64 HG3 GLU 9 HG1 GLU 9 -0.090 -7.052 8.773
65 H PHE 10 HN PHE 10 1.325 -4.317 9.836
66 HA PHE 10 HA PHE 10 -0.452 -4.941 12.000
67 HB2 PHE 10 HB2 PHE 10 2.436 -4.910 11.539
68 HB3 PHE 10 HB1 PHE 10 1.996 -4.357 13.151
69 HD1 PHE 10 HD1 PHE 10 1.216 -7.114 10.764
70 HD2 PHE 10 HD2 PHE 10 1.755 -5.921 14.813
71 HE1 PHE 10 HE1 PHE 10 0.943 -9.451 11.484
72 HE2 PHE 10 HE2 PHE 10 1.484 -8.256 15.541
73 HZ PHE 10 HZ PHE 10 1.077 -10.024 13.876
74 HN PH8 11 HN PH8 11 2.065 -2.433 11.910
75 HA PH8 11 HA PH8 11 0.304 -0.701 13.486
76 HZ PH8 11 HZ PH8 11 4.694 -4.663 17.614
77 HB PH8 11 HB2 PH8 11 2.977 -1.329 13.772
78 HBA PH8 11 HB1 PH8 11 3.030 0.253 13.006
79 HD1 PH8 11 HD1 PH8 11 2.056 -3.058 14.675
80 HD2 PH8 11 HD2 PH8 11 2.911 -0.836 18.203
81 HE1 PH8 11 HE1 PH8 11 3.527 -4.869 15.455
82 HE2 PH8 11 HE2 PH8 11 4.384 -2.643 18.989
83 HI PH8 11 HI2 PH8 11 3.096 0.565 15.365
84 HIA PH8 11 HI1 PH8 11 1.513 1.094 14.792
85 HJ PH8 11 HJ1 PH8 11 0.635 -1.169 15.417
86 HJA PH8 11 HJ2 PH8 11 1.149 -0.165 16.772
87 HN1 NH2 12 H1 PHE 11 0.000 -1.133 10.607
88 HN2 NH2 12 H2 PHE 11 0.174 0.413 9.858
Start of MODEL 17
1 H1 HIS 1 HT1 HIS 1 5.787 -8.282 1.810
2 H2 HIS 1 HT2 HIS 1 6.307 -9.010 3.246
3 H3 HIS 1 HT3 HIS 1 5.412 -9.903 2.123
4 HA HIS 1 HA HIS 1 7.777 -10.462 2.067
5 HB2 HIS 1 HB2 HIS 1 8.003 -9.941 -0.462
6 HB3 HIS 1 HB1 HIS 1 6.646 -10.928 0.070
7 HD1 HIS 1 HD1 HIS 1 4.322 -10.049 -0.378
8 HD2 HIS 1 HD2 HIS 1 7.292 -7.261 -1.199
9 HE1 HIS 1 HE1 HIS 1 3.158 -8.153 -1.550
10 HE2 HIS 1 HE2 HIS 1 4.989 -6.516 -2.113
11 H AIB 2 HN AIB 2 8.114 -8.229 3.577
12 HB11 AIB 2 HB11 AIB 2 8.863 -6.005 1.204
13 HB12 AIB 2 HB12 AIB 2 10.172 -5.084 1.944
14 HB13 AIB 2 HB13 AIB 2 8.556 -5.041 2.649
15 HB21 AIB 2 HB21 AIB 2 11.741 -6.990 3.310
16 HB22 AIB 2 HB22 AIB 2 11.248 -6.968 1.616
17 HB23 AIB 2 HB23 AIB 2 11.013 -8.423 2.585
18 H GLU 3 HN GLU 3 11.280 -5.338 4.205
19 HA GLU 3 HA GLU 3 10.660 -6.020 6.890
20 HB2 GLU 3 HB2 GLU 3 12.677 -4.589 5.568
21 HB3 GLU 3 HB1 GLU 3 11.919 -3.426 6.646
22 HG2 GLU 3 HG2 GLU 3 12.742 -6.120 7.645
23 HG3 GLU 3 HG1 GLU 3 13.915 -4.813 7.492
24 H GLY 4 HN GLY 4 9.516 -3.565 4.687
25 HA2 GLY 4 HA2 GLY 4 8.171 -2.067 6.773
26 HA3 GLY 4 HA1 GLY 4 8.117 -1.736 5.048
27 H LYS 5 HN LYS 5 7.432 -4.762 4.788
28 HA LYS 5 HA LYS 5 4.672 -4.434 4.438
29 HB2 LYS 5 HB2 LYS 5 6.374 -6.260 3.559
30 HB3 LYS 5 HB1 LYS 5 5.796 -7.152 4.959
31 HG2 LYS 5 HG2 LYS 5 4.268 -6.248 2.547
32 HG3 LYS 5 HG1 LYS 5 4.446 -7.875 3.204
33 HD2 LYS 5 HD2 LYS 5 2.965 -5.623 4.565
34 HD3 LYS 5 HD1 LYS 5 2.203 -6.889 3.602
35 HE2 LYS 5 HE2 LYS 5 2.538 -8.491 5.190
36 HE3 LYS 5 HE1 LYS 5 4.008 -7.733 5.801
37 HZ1 LYS 5 HZ1 LYS 5 2.728 -6.436 7.231
38 H PHE 6 HN PHE 6 6.250 -6.558 6.825
39 HA PHE 6 HA PHE 6 4.112 -7.226 8.365
40 HB2 PHE 6 HB2 PHE 6 6.999 -7.015 8.804
41 HB3 PHE 6 HB1 PHE 6 6.055 -6.867 10.283
42 HD1 PHE 6 HD2 PHE 6 3.835 -8.669 9.857
43 HD2 PHE 6 HD1 PHE 6 7.930 -9.121 8.793
44 HE1 PHE 6 HE2 PHE 6 3.583 -11.115 9.943
45 HE2 PHE 6 HE1 PHE 6 7.686 -11.568 8.876
46 HZ PHE 6 HZ PHE 6 5.510 -12.568 9.452
47 H THR 7 HN THR 7 5.897 -4.194 8.465
48 HA THR 7 HA THR 7 4.396 -3.228 10.736
49 HB THR 7 HB THR 7 5.670 -1.170 10.505
50 HG1 THR 7 HG1 THR 7 6.641 -2.357 8.100
51 HG21 THR 7 HG21 THR 7 6.858 -2.797 11.719
52 HG22 THR 7 HG22 THR 7 8.019 -2.188 10.538
53 HG23 THR 7 HG23 THR 7 7.218 -3.737 10.271
54 H SER 8 HN SER 8 4.133 -3.127 7.299
55 HA SER 8 HA SER 8 2.657 -0.753 6.999
56 HB2 SER 8 HB2 SER 8 2.788 -3.280 5.355
57 HB3 SER 8 HB1 SER 8 1.806 -1.895 4.881
58 HG SER 8 HG SER 8 4.403 -2.268 4.503
59 H GLU 9 HN GLU 9 1.581 -4.119 7.434
60 HA GLU 9 HA GLU 9 -1.181 -3.247 7.648
61 HB2 GLU 9 HB2 GLU 9 -1.698 -5.653 7.844
62 HB3 GLU 9 HB1 GLU 9 -0.762 -5.276 6.404
63 HG2 GLU 9 HG2 GLU 9 1.083 -5.891 8.443
64 HG3 GLU 9 HG1 GLU 9 -0.182 -7.116 8.503
65 H PHE 10 HN PHE 10 1.367 -4.487 9.736
66 HA PHE 10 HA PHE 10 -0.369 -4.745 12.016
67 HB2 PHE 10 HB2 PHE 10 1.927 -5.945 11.459
68 HB3 PHE 10 HB1 PHE 10 2.596 -4.564 12.322
69 HD1 PHE 10 HD1 PHE 10 -0.416 -6.708 12.843
70 HD2 PHE 10 HD2 PHE 10 3.216 -5.172 14.446
71 HE1 PHE 10 HE1 PHE 10 -0.890 -7.830 14.981
72 HE2 PHE 10 HE2 PHE 10 2.748 -6.292 16.587
73 HZ PHE 10 HZ PHE 10 0.693 -7.623 16.856
74 HN PH8 11 HN PH8 11 1.670 -2.291 10.644
75 HA PH8 11 HA PH8 11 0.775 -0.433 12.727
76 HZ PH8 11 HZ PH8 11 8.931 -0.214 12.619
77 HB PH8 11 HB2 PH8 11 3.380 -1.378 12.594
78 HBA PH8 11 HB1 PH8 11 3.466 0.172 11.769
79 HD1 PH8 11 HD1 PH8 11 5.832 -2.281 14.692
80 HD2 PH8 11 HD2 PH8 11 5.246 1.752 13.467
81 HE1 PH8 11 HE1 PH8 11 8.092 -2.251 13.721
82 HE2 PH8 11 HE2 PH8 11 7.505 1.789 12.493
83 HI PH8 11 HI2 PH8 11 3.154 1.342 13.658
84 HIA PH8 11 HI1 PH8 11 1.976 0.196 14.299
85 HJ PH8 11 HJ1 PH8 11 3.749 -1.312 14.956
86 HJA PH8 11 HJ2 PH8 11 4.025 0.283 15.654
87 HN1 NH2 12 H1 PHE 11 0.022 -1.007 9.917
88 HN2 NH2 12 H2 PHE 11 0.233 0.476 9.058
Start of MODEL 18
1 H1 HIS 1 HT1 HIS 1 9.613 -9.857 0.133
2 H2 HIS 1 HT2 HIS 1 10.785 -10.239 1.291
3 H3 HIS 1 HT3 HIS 1 10.903 -10.876 -0.271
4 HA HIS 1 HA HIS 1 12.390 -8.909 0.348
5 HB2 HIS 1 HB2 HIS 1 11.378 -9.913 -2.003
6 HB3 HIS 1 HB1 HIS 1 10.964 -8.206 -2.125
7 HD1 HIS 1 HD1 HIS 1 12.689 -7.928 -4.053
8 HD2 HIS 1 HD2 HIS 1 14.337 -9.090 -0.421
9 HE1 HIS 1 HE1 HIS 1 15.166 -7.577 -4.297
10 HE2 HIS 1 HE2 HIS 1 16.151 -8.373 -2.119
11 H AIB 2 HN AIB 2 10.276 -8.306 2.053
12 HB11 AIB 2 HB11 AIB 2 7.620 -5.401 1.623
13 HB12 AIB 2 HB12 AIB 2 7.857 -6.921 0.762
14 HB13 AIB 2 HB13 AIB 2 8.675 -5.460 0.211
15 HB21 AIB 2 HB21 AIB 2 10.465 -4.710 0.956
16 HB22 AIB 2 HB22 AIB 2 11.445 -5.455 2.220
17 HB23 AIB 2 HB23 AIB 2 10.106 -4.393 2.653
18 H GLU 3 HN GLU 3 10.885 -6.348 4.108
19 HA GLU 3 HA GLU 3 9.158 -7.725 5.840
20 HB2 GLU 3 HB2 GLU 3 11.528 -5.934 6.282
21 HB3 GLU 3 HB1 GLU 3 10.620 -6.577 7.643
22 HG2 GLU 3 HG2 GLU 3 11.256 -8.754 7.212
23 HG3 GLU 3 HG1 GLU 3 11.637 -8.416 5.524
24 H GLY 4 HN GLY 4 9.103 -4.481 4.742
25 HA2 GLY 4 HA2 GLY 4 8.004 -3.095 6.881
26 HA3 GLY 4 HA1 GLY 4 7.685 -2.736 5.192
27 H LYS 5 HN LYS 5 6.558 -5.574 4.959
28 HA LYS 5 HA LYS 5 3.883 -5.033 4.983
29 HB2 LYS 5 HB2 LYS 5 5.281 -7.173 4.270
30 HB3 LYS 5 HB1 LYS 5 4.715 -7.772 5.822
31 HG2 LYS 5 HG2 LYS 5 3.093 -6.974 3.428
32 HG3 LYS 5 HG1 LYS 5 3.167 -8.541 4.235
33 HD2 LYS 5 HD2 LYS 5 2.027 -6.010 5.423
34 HD3 LYS 5 HD1 LYS 5 1.082 -7.332 4.734
35 HE2 LYS 5 HE2 LYS 5 1.466 -8.714 6.508
36 HE3 LYS 5 HE1 LYS 5 3.044 -8.008 6.857
37 HZ1 LYS 5 HZ1 LYS 5 2.024 -6.455 8.223
38 H PHE 6 HN PHE 6 5.524 -6.868 7.568
39 HA PHE 6 HA PHE 6 3.496 -7.131 9.360
40 HB2 PHE 6 HB2 PHE 6 6.411 -7.061 9.520
41 HB3 PHE 6 HB1 PHE 6 5.636 -6.548 11.016
42 HD1 PHE 6 HD2 PHE 6 4.564 -9.097 8.529
43 HD2 PHE 6 HD1 PHE 6 5.908 -8.309 12.489
44 HE1 PHE 6 HE2 PHE 6 4.169 -11.450 9.127
45 HE2 PHE 6 HE1 PHE 6 5.515 -10.662 13.095
46 HZ PHE 6 HZ PHE 6 4.643 -12.235 11.413
47 H THR 7 HN THR 7 5.444 -4.244 8.810
48 HA THR 7 HA THR 7 4.152 -2.812 10.965
49 HB THR 7 HB THR 7 5.546 -0.983 9.314
50 HG1 THR 7 HG1 THR 7 6.999 -3.398 9.759
51 HG21 THR 7 HG21 THR 7 7.224 -1.182 11.276
52 HG22 THR 7 HG22 THR 7 6.039 -2.292 11.966
53 HG23 THR 7 HG23 THR 7 5.585 -0.624 11.615
54 H SER 8 HN SER 8 3.681 -3.289 7.589
55 HA SER 8 HA SER 8 2.349 -0.923 6.906
56 HB2 SER 8 HB2 SER 8 1.991 -3.729 5.828
57 HB3 SER 8 HB1 SER 8 1.324 -2.278 5.080
58 HG SER 8 HG SER 8 4.065 -2.887 5.489
59 H GLU 9 HN GLU 9 1.070 -4.019 8.120
60 HA GLU 9 HA GLU 9 -1.585 -2.851 8.360
61 HB2 GLU 9 HB2 GLU 9 -2.250 -5.130 9.122
62 HB3 GLU 9 HB1 GLU 9 -1.524 -5.096 7.522
63 HG2 GLU 9 HG2 GLU 9 0.549 -5.509 9.409
64 HG3 GLU 9 HG1 GLU 9 -0.767 -6.620 9.787
65 H PHE 10 HN PHE 10 1.047 -3.931 10.428
66 HA PHE 10 HA PHE 10 -0.417 -3.657 12.867
67 HB2 PHE 10 HB2 PHE 10 1.713 -5.047 12.438
68 HB3 PHE 10 HB1 PHE 10 2.583 -3.531 12.652
69 HD1 PHE 10 HD2 PHE 10 -0.261 -5.205 14.398
70 HD2 PHE 10 HD1 PHE 10 3.570 -3.380 14.710
71 HE1 PHE 10 HE2 PHE 10 -0.308 -5.534 16.836
72 HE2 PHE 10 HE1 PHE 10 3.531 -3.706 17.149
73 HZ PHE 10 HZ PHE 10 1.590 -4.783 18.214
74 HN PH8 11 HN PH8 11 1.823 -1.622 11.057
75 HA PH8 11 HA PH8 11 1.153 0.614 12.854
76 HZ PH8 11 HZ PH8 11 8.022 3.865 8.568
77 HB PH8 11 HB2 PH8 11 3.531 0.014 12.915
78 HBA PH8 11 HB1 PH8 11 3.634 0.220 11.172
79 HD1 PH8 11 HD1 PH8 11 6.801 4.186 12.640
80 HD2 PH8 11 HD2 PH8 11 4.992 1.288 10.103
81 HE1 PH8 11 HE1 PH8 11 8.217 4.941 10.775
82 HE2 PH8 11 HE2 PH8 11 6.406 2.036 8.233
83 HI PH8 11 HI2 PH8 11 3.279 2.562 11.342
84 HIA PH8 11 HI1 PH8 11 2.858 2.434 13.051
85 HJ PH8 11 HJ1 PH8 11 5.331 1.288 12.999
86 HJA PH8 11 HJ2 PH8 11 4.999 2.967 13.423
87 HN1 NH2 12 H1 PHE 11 0.665 -0.628 9.797
88 HN2 NH2 12 H2 PHE 11 0.233 0.825 8.973
Start of MODEL 19
1 H1 HIS 1 HT1 HIS 1 7.809 -9.088 -0.316
2 H2 HIS 1 HT2 HIS 1 6.532 -8.053 0.081
3 H3 HIS 1 HT3 HIS 1 6.216 -9.659 -0.347
4 HA HIS 1 HA HIS 1 6.119 -9.093 2.101
5 HB2 HIS 1 HB2 HIS 1 6.272 -11.378 1.048
6 HB3 HIS 1 HB1 HIS 1 8.019 -11.288 1.248
7 HD1 HIS 1 HD1 HIS 1 5.425 -10.252 3.807
8 HD2 HIS 1 HD2 HIS 1 8.358 -13.137 3.231
9 HE1 HIS 1 HE1 HIS 1 5.580 -11.496 5.987
10 HE2 HIS 1 HE2 HIS 1 7.422 -13.180 5.642
11 H AIB 2 HN AIB 2 7.984 -7.135 1.170
12 HB11 AIB 2 HB11 AIB 2 9.534 -5.571 0.700
13 HB12 AIB 2 HB12 AIB 2 10.845 -5.163 1.808
14 HB13 AIB 2 HB13 AIB 2 9.174 -4.816 2.252
15 HB21 AIB 2 HB21 AIB 2 11.309 -7.391 1.060
16 HB22 AIB 2 HB22 AIB 2 10.779 -8.706 2.107
17 HB23 AIB 2 HB23 AIB 2 11.746 -7.389 2.768
18 H GLU 3 HN GLU 3 11.374 -5.913 4.031
19 HA GLU 3 HA GLU 3 10.273 -6.937 6.438
20 HB2 GLU 3 HB2 GLU 3 11.925 -5.525 7.564
21 HB3 GLU 3 HB1 GLU 3 12.651 -6.400 6.223
22 HG2 GLU 3 HG2 GLU 3 12.499 -4.391 4.836
23 HG3 GLU 3 HG1 GLU 3 11.791 -3.516 6.192
24 H GLY 4 HN GLY 4 9.852 -3.963 4.653
25 HA2 GLY 4 HA2 GLY 4 8.714 -2.388 6.688
26 HA3 GLY 4 HA1 GLY 4 8.449 -2.173 4.964
27 H LYS 5 HN LYS 5 7.356 -4.912 4.691
28 HA LYS 5 HA LYS 5 4.645 -4.340 4.917
29 HB2 LYS 5 HB2 LYS 5 5.067 -6.063 3.444
30 HB3 LYS 5 HB1 LYS 5 6.235 -6.832 4.508
31 HG2 LYS 5 HG2 LYS 5 3.376 -6.791 5.332
32 HG3 LYS 5 HG1 LYS 5 3.878 -7.901 4.055
33 HD2 LYS 5 HD2 LYS 5 5.187 -9.145 5.461
34 HD3 LYS 5 HD1 LYS 5 5.511 -7.787 6.538
35 HE2 LYS 5 HE2 LYS 5 2.929 -9.331 6.323
36 HE3 LYS 5 HE1 LYS 5 4.099 -9.432 7.637
37 HZ1 LYS 5 HZ1 LYS 5 3.540 -6.988 8.002
38 H PHE 6 HN PHE 6 6.846 -5.817 7.207
39 HA PHE 6 HA PHE 6 5.199 -7.037 9.003
40 HB2 PHE 6 HB2 PHE 6 7.812 -6.453 9.008
41 HB3 PHE 6 HB1 PHE 6 7.267 -5.257 10.179
42 HD1 PHE 6 HD2 PHE 6 6.895 -8.888 9.414
43 HD2 PHE 6 HD1 PHE 6 7.161 -5.860 12.393
44 HE1 PHE 6 HE2 PHE 6 6.886 -10.616 11.166
45 HE2 PHE 6 HE1 PHE 6 7.153 -7.583 14.150
46 HZ PHE 6 HZ PHE 6 7.015 -9.964 13.537
47 H THR 7 HN THR 7 6.224 -3.638 9.401
48 HA THR 7 HA THR 7 4.085 -3.166 11.259
49 HB THR 7 HB THR 7 5.833 -1.032 10.052
50 HG1 THR 7 HG1 THR 7 7.300 -2.492 10.833
51 HG21 THR 7 HG21 THR 7 4.164 -0.046 11.364
52 HG22 THR 7 HG22 THR 7 5.543 -0.161 12.457
53 HG23 THR 7 HG23 THR 7 4.227 -1.329 12.572
54 H SER 8 HN SER 8 4.667 -2.540 7.867
55 HA SER 8 HA SER 8 2.873 -0.522 7.326
56 HB2 SER 8 HB2 SER 8 3.482 -2.975 5.662
57 HB3 SER 8 HB1 SER 8 2.630 -1.552 5.064
58 HG SER 8 HG SER 8 5.180 -1.898 5.035
59 H GLU 9 HN GLU 9 2.226 -3.934 7.883
60 HA GLU 9 HA GLU 9 -0.620 -3.555 7.406
61 HB2 GLU 9 HB2 GLU 9 -0.814 -5.960 7.694
62 HB3 GLU 9 HB1 GLU 9 0.474 -5.591 6.556
63 HG2 GLU 9 HG2 GLU 9 1.980 -5.741 8.695
64 HG3 GLU 9 HG1 GLU 9 0.633 -6.700 9.309
65 H PHE 10 HN PHE 10 1.574 -4.405 10.049
66 HA PHE 10 HA PHE 10 -0.333 -4.835 12.043
67 HB2 PHE 10 HB2 PHE 10 2.544 -4.057 12.018
68 HB3 PHE 10 HB1 PHE 10 1.657 -3.865 13.525
69 HD1 PHE 10 HD2 PHE 10 1.897 -6.446 10.834
70 HD2 PHE 10 HD1 PHE 10 1.923 -5.586 15.002
71 HE1 PHE 10 HE2 PHE 10 2.222 -8.836 11.322
72 HE2 PHE 10 HE1 PHE 10 2.249 -7.974 15.497
73 HZ PHE 10 HZ PHE 10 2.399 -9.603 13.655
74 HN PH8 11 HN PH8 11 1.088 -1.875 10.811
75 HA PH8 11 HA PH8 11 -0.806 -0.339 12.465
76 HZ PH8 11 HZ PH8 11 -0.037 7.718 13.976
77 HB PH8 11 HB2 PH8 11 1.771 -0.144 12.910
78 HBA PH8 11 HB1 PH8 11 1.751 0.865 11.470
79 HD1 PH8 11 HD1 PH8 11 -1.623 3.778 14.337
80 HD2 PH8 11 HD2 PH8 11 1.321 4.619 11.382
81 HE1 PH8 11 HE1 PH8 11 -1.551 6.121 15.083
82 HE2 PH8 11 HE2 PH8 11 1.400 6.964 12.123
83 HI PH8 11 HI2 PH8 11 0.201 1.327 14.009
84 HIA PH8 11 HI1 PH8 11 1.596 2.244 13.435
85 HJ PH8 11 HJ1 PH8 11 -1.219 2.256 12.467
86 HJA PH8 11 HJ2 PH8 11 0.073 2.578 11.312
87 HN1 NH2 12 H1 PHE 11 0.911 -0.562 9.401
88 HN2 NH2 12 H2 PHE 11 -0.183 0.418 8.495
Start of MODEL 20
1 H1 HIS 1 HT1 HIS 1 11.161 -7.758 -0.286
2 H2 HIS 1 HT2 HIS 1 10.186 -9.137 -0.381
3 H3 HIS 1 HT3 HIS 1 11.847 -9.255 -0.677
4 HA HIS 1 HA HIS 1 11.703 -10.067 1.449
5 HB2 HIS 1 HB2 HIS 1 12.812 -7.509 1.010
6 HB3 HIS 1 HB1 HIS 1 12.024 -7.431 2.582
7 HD1 HIS 1 HD1 HIS 1 14.607 -7.172 3.379
8 HD2 HIS 1 HD2 HIS 1 13.447 -10.907 1.973
9 HE1 HIS 1 HE1 HIS 1 16.359 -8.775 4.205
10 HE2 HIS 1 HE2 HIS 1 15.681 -11.015 3.271
11 H AIB 2 HN AIB 2 9.502 -7.372 0.959
12 HB11 AIB 2 HB11 AIB 2 7.188 -9.316 1.407
13 HB12 AIB 2 HB12 AIB 2 6.072 -8.545 2.534
14 HB13 AIB 2 HB13 AIB 2 7.390 -9.546 3.143
15 HB21 AIB 2 HB21 AIB 2 6.734 -6.870 0.887
16 HB22 AIB 2 HB22 AIB 2 7.992 -5.751 1.414
17 HB23 AIB 2 HB23 AIB 2 6.578 -6.031 2.430
18 H GLU 3 HN GLU 3 10.134 -6.673 3.431
19 HA GLU 3 HA GLU 3 9.637 -7.203 6.171
20 HB2 GLU 3 HB2 GLU 3 11.610 -5.306 4.887
21 HB3 GLU 3 HB1 GLU 3 11.627 -5.791 6.577
22 HG2 GLU 3 HG2 GLU 3 11.647 -7.983 4.612
23 HG3 GLU 3 HG1 GLU 3 13.089 -6.971 4.660
24 H GLY 4 HN GLY 4 8.902 -4.530 4.071
25 HA2 GLY 4 HA2 GLY 4 8.359 -2.687 6.227
26 HA3 GLY 4 HA1 GLY 4 8.053 -2.416 4.518
27 H LYS 5 HN LYS 5 6.566 -5.068 4.460
28 HA LYS 5 HA LYS 5 3.977 -4.002 4.818
29 HB2 LYS 5 HB2 LYS 5 4.453 -5.798 3.216
30 HB3 LYS 5 HB1 LYS 5 4.834 -6.889 4.542
31 HG2 LYS 5 HG2 LYS 5 2.214 -5.703 4.857
32 HG3 LYS 5 HG1 LYS 5 2.372 -6.549 3.318
33 HD2 LYS 5 HD2 LYS 5 1.745 -8.312 4.611
34 HD3 LYS 5 HD1 LYS 5 3.484 -8.386 4.892
35 HE2 LYS 5 HE2 LYS 5 1.967 -8.537 6.933
36 HE3 LYS 5 HE1 LYS 5 3.297 -7.388 7.004
37 HZ1 LYS 5 HZ1 LYS 5 1.681 -5.845 7.459
38 H PHE 6 HN PHE 6 5.908 -6.261 6.747
39 HA PHE 6 HA PHE 6 4.236 -7.182 8.634
40 HB2 PHE 6 HB2 PHE 6 6.838 -7.291 8.469
41 HB3 PHE 6 HB1 PHE 6 6.789 -5.925 9.578
42 HD1 PHE 6 HD2 PHE 6 5.795 -6.195 11.825
43 HD2 PHE 6 HD1 PHE 6 6.364 -9.496 9.200
44 HE1 PHE 6 HE2 PHE 6 5.539 -7.742 13.721
45 HE2 PHE 6 HE1 PHE 6 6.108 -11.049 11.091
46 HZ PHE 6 HZ PHE 6 5.695 -10.173 13.355
47 H THR 7 HN THR 7 5.829 -4.002 8.931
48 HA THR 7 HA THR 7 4.087 -3.292 11.118
49 HB THR 7 HB THR 7 5.715 -1.154 9.902
50 HG1 THR 7 HG1 THR 7 7.535 -2.221 9.901
51 HG21 THR 7 HG21 THR 7 5.073 -0.470 11.961
52 HG22 THR 7 HG22 THR 7 6.488 -1.382 12.485
53 HG23 THR 7 HG23 THR 7 4.887 -2.117 12.564
54 H SER 8 HN SER 8 4.107 -2.895 7.698
55 HA SER 8 HA SER 8 2.668 -0.523 7.405
56 HB2 SER 8 HB2 SER 8 2.231 -1.201 5.200
57 HB3 SER 8 HB1 SER 8 3.721 -2.056 5.596
58 HG SER 8 HG SER 8 1.960 -3.313 4.588
59 H GLU 9 HN GLU 9 1.601 -3.802 8.090
60 HA GLU 9 HA GLU 9 -1.192 -2.987 8.126
61 HB2 GLU 9 HB2 GLU 9 0.080 -5.684 8.618
62 HB3 GLU 9 HB1 GLU 9 -1.649 -5.376 8.531
63 HG2 GLU 9 HG2 GLU 9 -1.648 -5.435 6.315
64 HG3 GLU 9 HG1 GLU 9 -0.243 -4.380 6.202
65 H PHE 10 HN PHE 10 1.294 -4.184 10.335
66 HA PHE 10 HA PHE 10 -0.325 -4.323 12.635
67 HB2 PHE 10 HB2 PHE 10 2.426 -4.690 12.005
68 HB3 PHE 10 HB1 PHE 10 2.339 -3.588 13.374
69 HD1 PHE 10 HD1 PHE 10 0.436 -4.391 15.151
70 HD2 PHE 10 HD2 PHE 10 2.676 -6.896 12.540
71 HE1 PHE 10 HE1 PHE 10 0.062 -6.296 16.663
72 HE2 PHE 10 HE2 PHE 10 2.305 -8.805 14.046
73 HZ PHE 10 HZ PHE 10 0.996 -8.507 16.111
74 HN PH8 11 HN PH8 11 1.637 -1.721 11.278
75 HA PH8 11 HA PH8 11 0.423 0.136 13.216
76 HZ PH8 11 HZ PH8 11 5.623 -2.288 18.854
77 HB PH8 11 HB2 PH8 11 3.124 0.041 11.938
78 HBA PH8 11 HB1 PH8 11 2.449 1.602 12.382
79 HD1 PH8 11 HD1 PH8 11 2.112 -0.727 17.009
80 HD2 PH8 11 HD2 PH8 11 5.277 -2.249 14.605
81 HE1 PH8 11 HE1 PH8 11 3.394 -1.258 19.040
82 HE2 PH8 11 HE2 PH8 11 6.565 -2.784 16.633
83 HI PH8 11 HI2 PH8 11 3.918 0.675 14.115
84 HIA PH8 11 HI1 PH8 11 2.265 0.914 14.687
85 HJ PH8 11 HJ1 PH8 11 3.210 -1.729 13.622
86 HJA PH8 11 HJ2 PH8 11 1.791 -1.386 14.610
87 HN1 NH2 12 H1 PHE 11 1.059 -0.526 9.860
88 HN2 NH2 12 H2 PHE 11 0.131 0.777 9.210