NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623099 |
6b34   |
30346 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 DPN 1 H1 DPN 1 1.173 -5.587 -2.956
2 HA DPN 1 HA DPN 1 3.080 -6.752 -2.659
3 HB2 DPN 1 HB2 DPN 1 3.276 -5.279 -0.200
4 HB3 DPN 1 HB3 DPN 1 3.873 -6.866 -0.637
5 HD1 DPN 1 HD1 DPN 1 4.782 -3.489 0.152
6 HD2 DPN 1 HD2 DPN 1 6.127 -7.024 -1.901
7 HE1 DPN 1 HE1 DPN 1 7.120 -2.633 0.223
8 HE2 DPN 1 HE2 DPN 1 8.470 -6.180 -1.827
9 HZ DPN 1 HZ DPN 1 8.969 -3.975 -0.773
10 H3 BE2 2 H3 BE2 2 5.102 -4.165 -5.867
11 HN21 BE2 2 HN21 BE2 2 3.897 -3.253 -2.475
12 H4 BE2 2 H4 BE2 2 6.383 -2.671 -7.317
13 H5 BE2 2 H5 BE2 2 7.089 -0.438 -6.518
14 H6 BE2 2 H6 BE2 2 6.513 0.319 -4.273
15 H PHE 3 H PHE 3 6.176 0.681 -2.448
16 HA PHE 3 HA PHE 3 5.064 -0.095 0.064
17 HB2 PHE 3 HB2 PHE 3 7.321 0.806 0.116
18 HB3 PHE 3 HB3 PHE 3 6.756 2.270 -0.695
19 HD1 PHE 3 HD1 PHE 3 6.459 0.300 2.473
20 HD2 PHE 3 HD2 PHE 3 5.835 4.090 0.534
21 HE1 PHE 3 HE1 PHE 3 5.960 1.343 4.682
22 HE2 PHE 3 HE2 PHE 3 5.328 5.142 2.732
23 HZ PHE 3 HZ PHE 3 5.390 3.770 4.815
24 H DPN 4 H DPN 4 3.001 0.128 0.061
25 HA DPN 4 HA DPN 4 0.884 0.849 -0.324
26 HB2 DPN 4 HB2 DPN 4 0.313 2.879 -1.614
27 HB3 DPN 4 HB3 DPN 4 2.013 3.235 -1.830
28 HD1 DPN 4 HD1 DPN 4 3.432 1.710 -3.282
29 HD2 DPN 4 HD2 DPN 4 -0.823 1.205 -2.900
30 HE1 DPN 4 HE1 DPN 4 3.431 0.261 -5.303
31 HE2 DPN 4 HE2 DPN 4 -0.838 -0.218 -4.949
32 HZ DPN 4 HZ DPN 4 1.295 -0.707 -6.141
33 H ASN 5 H ASN 5 -0.610 2.395 0.654
34 HA ASN 5 HA ASN 5 0.739 3.848 2.892
35 HB2 ASN 5 HB2 ASN 5 -0.962 5.614 2.709
36 HB3 ASN 5 HB3 ASN 5 -0.013 5.474 1.231
37 HD21 ASN 5 HD21 ASN 5 -2.818 4.980 -0.777
38 HD22 ASN 5 HD22 ASN 5 -1.123 5.375 -0.654
39 H GLN 6 H GLN 6 -1.483 4.547 4.331
40 HA GLN 6 HA GLN 6 -1.958 2.116 5.719
41 HB2 GLN 6 HB2 GLN 6 -3.257 4.845 5.881
42 HB3 GLN 6 HB3 GLN 6 -3.539 3.550 7.054
43 HG2 GLN 6 HG2 GLN 6 -1.205 3.561 7.729
44 HG3 GLN 6 HG3 GLN 6 -0.795 4.726 6.474
45 HE21 GLN 6 HE21 GLN 6 -1.080 6.506 9.618
46 HE22 GLN 6 HE22 GLN 6 -0.158 5.137 9.077
47 H TYR 7 H TYR 7 -3.859 3.685 3.225
48 HA TYR 7 HA TYR 7 -6.165 1.904 3.880
49 HB2 TYR 7 HB2 TYR 7 -5.962 4.371 2.117
50 HB3 TYR 7 HB3 TYR 7 -7.427 3.411 2.356
51 HD1 TYR 7 HD1 TYR 7 -8.594 3.401 4.554
52 HD2 TYR 7 HD2 TYR 7 -5.150 5.895 3.873
53 HE1 TYR 7 HE1 TYR 7 -9.133 4.717 6.603
54 HE2 TYR 7 HE2 TYR 7 -5.691 7.193 5.939
55 HH TYR 7 HH TYR 7 -8.528 6.435 7.970
56 H VAL 8 H VAL 8 -3.922 2.799 1.264
57 HA VAL 8 HA VAL 8 -4.959 0.438 -0.263
58 HB VAL 8 HB VAL 8 -3.627 2.946 -1.376
59 HG11 VAL 8 HG11 VAL 8 -4.763 0.473 -2.780
60 HG12 VAL 8 HG12 VAL 8 -3.045 0.926 -2.689
61 HG13 VAL 8 HG13 VAL 8 -4.182 1.943 -3.592
62 HG21 VAL 8 HG21 VAL 8 -5.877 3.250 -2.463
63 HG22 VAL 8 HG22 VAL 8 -5.907 3.413 -0.696
64 HG23 VAL 8 HG23 VAL 8 -6.482 1.909 -1.452
65 H ORN 9 H ORN 9 -3.746 -1.142 0.179
66 HA ORN 9 HA ORN 9 -0.821 -0.747 0.635
67 HB2 ORN 9 HB2 ORN 9 -2.358 -0.755 2.689
68 HB3 ORN 9 HB3 ORN 9 -2.706 -2.459 2.317
69 HG2 ORN 9 HG2 ORN 9 -0.294 -3.008 2.516
70 HG3 ORN 9 HG3 ORN 9 0.083 -1.294 2.824
71 HD2 ORN 9 HD2 ORN 9 -1.305 -1.341 4.872
72 HD3 ORN 9 HD3 ORN 9 -1.728 -3.040 4.560
73 HE1 ORN 9 HE1 ORN 9 0.988 -2.012 5.071
74 HE2 ORN 9 HE2 ORN 9 0.057 -2.855 6.140
75 HE3 ORN 9 3HE ORN 9 0.604 -3.588 4.767
76 H LEU 10 H LEU 10 0.343 -1.996 -0.691
77 HA LEU 10 HA LEU 10 -0.657 -4.562 -1.690
78 HB2 LEU 10 HB2 LEU 10 -0.113 -2.094 -3.240
79 HB3 LEU 10 HB3 LEU 10 0.403 -3.644 -3.895
80 HG LEU 10 HG LEU 10 -2.071 -4.377 -3.306
81 HD11 LEU 10 HD11 LEU 10 -2.344 -1.388 -3.806
82 HD12 LEU 10 HD12 LEU 10 -2.794 -2.270 -2.328
83 HD13 LEU 10 HD13 LEU 10 -3.675 -2.570 -3.835
84 HD21 LEU 10 HD21 LEU 10 -1.241 -2.749 -5.720
85 HD22 LEU 10 HD22 LEU 10 -2.641 -3.848 -5.632
86 HD23 LEU 10 HD23 LEU 10 -0.998 -4.495 -5.461
Start of MODEL 2
1 H1 DPN 1 H1 DPN 1 1.221 -5.679 -2.770
2 HA DPN 1 HA DPN 1 3.169 -6.701 -2.308
3 HB2 DPN 1 HB2 DPN 1 3.054 -5.280 0.075
4 HB3 DPN 1 HB3 DPN 1 4.109 -6.617 -0.356
5 HD1 DPN 1 HD1 DPN 1 6.349 -5.960 -1.653
6 HD2 DPN 1 HD2 DPN 1 4.031 -3.272 0.782
7 HE1 DPN 1 HE1 DPN 1 8.346 -4.500 -1.368
8 HE2 DPN 1 HE2 DPN 1 6.030 -1.819 1.090
9 HZ DPN 1 HZ DPN 1 8.190 -2.425 0.004
10 H3 BE2 2 H3 BE2 2 4.808 -4.314 -5.778
11 HN21 BE2 2 HN21 BE2 2 3.727 -3.147 -2.459
12 H4 BE2 2 H4 BE2 2 5.951 -2.919 -7.440
13 H5 BE2 2 H5 BE2 2 6.659 -0.615 -6.873
14 H6 BE2 2 H6 BE2 2 6.222 0.312 -4.656
15 H PHE 3 H PHE 3 6.074 0.765 -2.825
16 HA PHE 3 HA PHE 3 5.327 0.114 -0.159
17 HB2 PHE 3 HB2 PHE 3 7.567 1.052 -0.673
18 HB3 PHE 3 HB3 PHE 3 6.775 2.536 -1.194
19 HD1 PHE 3 HD1 PHE 3 7.615 0.409 1.714
20 HD2 PHE 3 HD2 PHE 3 5.867 4.124 0.424
21 HE1 PHE 3 HE1 PHE 3 7.692 1.253 4.058
22 HE2 PHE 3 HE2 PHE 3 5.927 4.972 2.765
23 HZ PHE 3 HZ PHE 3 6.851 3.541 4.587
24 H DPN 4 H DPN 4 3.219 0.211 -0.090
25 HA DPN 4 HA DPN 4 1.070 0.848 -0.356
26 HB2 DPN 4 HB2 DPN 4 0.313 2.699 -1.690
27 HB3 DPN 4 HB3 DPN 4 1.926 3.401 -1.746
28 HD1 DPN 4 HD1 DPN 4 -0.020 0.340 -2.743
29 HD2 DPN 4 HD2 DPN 4 3.392 2.842 -3.529
30 HE1 DPN 4 HE1 DPN 4 0.455 -0.952 -4.829
31 HE2 DPN 4 HE2 DPN 4 3.881 1.541 -5.591
32 HZ DPN 4 HZ DPN 4 2.420 -0.363 -6.240
33 H ASN 5 H ASN 5 -0.501 2.342 0.640
34 HA ASN 5 HA ASN 5 0.784 3.750 2.943
35 HB2 ASN 5 HB2 ASN 5 -0.905 5.520 2.774
36 HB3 ASN 5 HB3 ASN 5 0.057 5.422 1.301
37 HD21 ASN 5 HD21 ASN 5 -2.694 4.878 -0.766
38 HD22 ASN 5 HD22 ASN 5 -0.985 5.194 -0.617
39 H GLN 6 H GLN 6 -1.490 4.399 4.344
40 HA GLN 6 HA GLN 6 -1.995 1.932 5.637
41 HB2 GLN 6 HB2 GLN 6 -3.418 4.596 5.813
42 HB3 GLN 6 HB3 GLN 6 -3.643 3.267 6.957
43 HG2 GLN 6 HG2 GLN 6 -1.309 3.423 7.662
44 HG3 GLN 6 HG3 GLN 6 -0.995 4.681 6.467
45 HE21 GLN 6 HE21 GLN 6 -1.481 6.289 9.671
46 HE22 GLN 6 HE22 GLN 6 -0.404 5.076 9.056
47 H TYR 7 H TYR 7 -3.945 3.706 3.312
48 HA TYR 7 HA TYR 7 -6.207 1.837 3.764
49 HB2 TYR 7 HB2 TYR 7 -5.968 4.373 2.104
50 HB3 TYR 7 HB3 TYR 7 -7.441 3.407 2.286
51 HD1 TYR 7 HD1 TYR 7 -5.228 5.882 3.879
52 HD2 TYR 7 HD2 TYR 7 -8.569 3.246 4.530
53 HE1 TYR 7 HE1 TYR 7 -5.780 7.091 5.994
54 HE2 TYR 7 HE2 TYR 7 -9.113 4.468 6.636
55 HH TYR 7 HH TYR 7 -8.529 6.151 8.063
56 H VAL 8 H VAL 8 -3.890 2.826 1.264
57 HA VAL 8 HA VAL 8 -4.883 0.536 -0.393
58 HB VAL 8 HB VAL 8 -3.477 3.064 -1.346
59 HG11 VAL 8 HG11 VAL 8 -3.951 2.143 -3.626
60 HG12 VAL 8 HG12 VAL 8 -4.527 0.634 -2.881
61 HG13 VAL 8 HG13 VAL 8 -2.822 1.125 -2.716
62 HG21 VAL 8 HG21 VAL 8 -6.324 2.037 -1.589
63 HG22 VAL 8 HG22 VAL 8 -5.676 3.410 -2.527
64 HG23 VAL 8 HG23 VAL 8 -5.782 3.513 -0.757
65 H ORN 9 H ORN 9 -3.760 -1.037 0.276
66 HA ORN 9 HA ORN 9 -0.800 -0.766 0.606
67 HB2 ORN 9 HB2 ORN 9 -2.224 -0.766 2.736
68 HB3 ORN 9 HB3 ORN 9 -2.680 -2.433 2.332
69 HG2 ORN 9 HG2 ORN 9 -0.185 -3.011 2.276
70 HG3 ORN 9 HG3 ORN 9 0.145 -1.367 2.859
71 HD2 ORN 9 HD2 ORN 9 0.164 -2.764 4.798
72 HD3 ORN 9 HD3 ORN 9 -1.376 -1.879 4.850
73 HE1 ORN 9 HE1 ORN 9 -1.014 -4.644 3.872
74 HE2 ORN 9 HE2 ORN 9 -1.669 -4.215 5.326
75 HE3 ORN 9 3HE ORN 9 -2.446 -3.826 3.924
76 H LEU 10 H LEU 10 0.202 -1.969 -0.868
77 HA LEU 10 HA LEU 10 -0.712 -4.672 -1.520
78 HB2 LEU 10 HB2 LEU 10 0.034 -2.451 -3.434
79 HB3 LEU 10 HB3 LEU 10 0.144 -4.131 -3.886
80 HG LEU 10 HG LEU 10 -1.760 -3.333 -4.925
81 HD11 LEU 10 HD11 LEU 10 -2.060 -5.535 -3.815
82 HD12 LEU 10 HD12 LEU 10 -3.583 -4.651 -4.029
83 HD13 LEU 10 HD13 LEU 10 -2.816 -4.711 -2.428
84 HD21 LEU 10 HD21 LEU 10 -3.560 -2.087 -3.966
85 HD22 LEU 10 HD22 LEU 10 -2.047 -1.257 -3.550
86 HD23 LEU 10 HD23 LEU 10 -2.889 -2.243 -2.333
Start of MODEL 3
1 H1 DPN 1 H1 DPN 1 1.629 -5.462 -3.100
2 HA DPN 1 HA DPN 1 3.334 -6.880 -2.529
3 HB2 DPN 1 HB2 DPN 1 3.298 -5.759 -0.037
4 HB3 DPN 1 HB3 DPN 1 4.401 -6.997 -0.595
5 HD1 DPN 1 HD1 DPN 1 6.691 -6.262 -1.570
6 HD2 DPN 1 HD2 DPN 1 4.173 -3.654 0.749
7 HE1 DPN 1 HE1 DPN 1 8.643 -4.780 -1.118
8 HE2 DPN 1 HE2 DPN 1 6.120 -2.177 1.216
9 HZ DPN 1 HZ DPN 1 8.357 -2.727 0.271
10 H3 BE2 2 H3 BE2 2 6.283 -4.625 -5.379
11 HN21 BE2 2 HN21 BE2 2 4.042 -3.430 -2.612
12 H4 BE2 2 H4 BE2 2 7.838 -3.137 -6.553
13 H5 BE2 2 H5 BE2 2 8.032 -0.746 -5.903
14 H6 BE2 2 H6 BE2 2 6.644 0.166 -4.061
15 H PHE 3 H PHE 3 6.140 0.290 -2.098
16 HA PHE 3 HA PHE 3 3.980 -0.322 -0.301
17 HB2 PHE 3 HB2 PHE 3 6.241 0.093 0.601
18 HB3 PHE 3 HB3 PHE 3 6.130 1.756 0.009
19 HD1 PHE 3 HD1 PHE 3 5.241 3.428 1.389
20 HD2 PHE 3 HD2 PHE 3 4.327 -0.699 2.219
21 HE1 PHE 3 HE1 PHE 3 4.117 4.105 3.513
22 HE2 PHE 3 HE2 PHE 3 3.178 -0.030 4.325
23 HZ PHE 3 HZ PHE 3 3.082 2.372 4.990
24 H DPN 4 H DPN 4 2.135 0.463 -0.676
25 HA DPN 4 HA DPN 4 0.396 1.661 -1.493
26 HB2 DPN 4 HB2 DPN 4 0.678 3.672 -2.902
27 HB3 DPN 4 HB3 DPN 4 2.421 3.471 -2.840
28 HD1 DPN 4 HD1 DPN 4 -0.622 2.530 -4.503
29 HD2 DPN 4 HD2 DPN 4 3.409 1.240 -3.740
30 HE1 DPN 4 HE1 DPN 4 -0.756 0.981 -6.440
31 HE2 DPN 4 HE2 DPN 4 3.285 -0.326 -5.663
32 HZ DPN 4 HZ DPN 4 1.202 -0.456 -7.035
33 H ASN 5 H ASN 5 -0.563 2.299 0.311
34 HA ASN 5 HA ASN 5 0.760 4.350 1.963
35 HB2 ASN 5 HB2 ASN 5 -1.193 5.817 2.041
36 HB3 ASN 5 HB3 ASN 5 -0.562 5.694 0.405
37 HD21 ASN 5 HD21 ASN 5 -3.592 4.623 -0.914
38 HD22 ASN 5 HD22 ASN 5 -1.987 5.240 -1.192
39 H GLN 6 H GLN 6 -1.240 4.821 3.767
40 HA GLN 6 HA GLN 6 -0.993 2.532 5.397
41 HB2 GLN 6 HB2 GLN 6 -2.863 4.914 5.568
42 HB3 GLN 6 HB3 GLN 6 -2.593 3.755 6.878
43 HG2 GLN 6 HG2 GLN 6 -0.247 4.417 7.029
44 HG3 GLN 6 HG3 GLN 6 -0.437 5.524 5.668
45 HE21 GLN 6 HE21 GLN 6 -0.613 7.461 8.731
46 HE22 GLN 6 HE22 GLN 6 0.552 6.385 8.021
47 H TYR 7 H TYR 7 -3.645 3.529 3.316
48 HA TYR 7 HA TYR 7 -5.334 1.367 4.481
49 HB2 TYR 7 HB2 TYR 7 -6.072 3.768 2.784
50 HB3 TYR 7 HB3 TYR 7 -7.210 2.565 3.420
51 HD1 TYR 7 HD1 TYR 7 -7.620 2.406 5.882
52 HD2 TYR 7 HD2 TYR 7 -5.125 5.496 4.225
53 HE1 TYR 7 HE1 TYR 7 -7.730 3.662 8.042
54 HE2 TYR 7 HE2 TYR 7 -5.235 6.746 6.380
55 HH TYR 7 HH TYR 7 -6.002 6.756 8.530
56 H VAL 8 H VAL 8 -3.930 2.522 1.455
57 HA VAL 8 HA VAL 8 -4.968 0.071 0.113
58 HB VAL 8 HB VAL 8 -3.967 2.639 -1.152
59 HG11 VAL 8 HG11 VAL 8 -3.424 0.739 -2.569
60 HG12 VAL 8 HG12 VAL 8 -4.803 1.595 -3.258
61 HG13 VAL 8 HG13 VAL 8 -5.067 0.070 -2.380
62 HG21 VAL 8 HG21 VAL 8 -6.354 2.845 -1.896
63 HG22 VAL 8 HG22 VAL 8 -6.146 2.990 -0.141
64 HG23 VAL 8 HG23 VAL 8 -6.757 1.476 -0.832
65 H ORN 9 H ORN 9 -3.665 -1.426 0.356
66 HA ORN 9 HA ORN 9 -0.739 -0.921 0.653
67 HB2 ORN 9 HB2 ORN 9 -2.628 -2.895 2.017
68 HB3 ORN 9 HB3 ORN 9 -0.870 -2.882 2.251
69 HG2 ORN 9 HG2 ORN 9 -0.939 -0.658 3.257
70 HG3 ORN 9 HG3 ORN 9 -2.651 -0.467 2.822
71 HD2 ORN 9 HD2 ORN 9 -2.705 -1.013 5.119
72 HD3 ORN 9 HD3 ORN 9 -3.129 -2.521 4.300
73 HE1 ORN 9 HE1 ORN 9 -0.871 -3.256 4.602
74 HE2 ORN 9 HE2 ORN 9 -0.450 -1.812 5.291
75 HE3 ORN 9 3HE ORN 9 -1.502 -2.817 6.059
76 H LEU 10 H LEU 10 0.675 -2.087 -0.566
77 HA LEU 10 HA LEU 10 -0.272 -4.347 -2.178
78 HB2 LEU 10 HB2 LEU 10 1.164 -1.833 -3.123
79 HB3 LEU 10 HB3 LEU 10 1.197 -3.336 -4.026
80 HG LEU 10 HG LEU 10 -0.304 -1.945 -5.135
81 HD11 LEU 10 HD11 LEU 10 -2.039 -3.805 -3.477
82 HD12 LEU 10 HD12 LEU 10 -1.054 -4.291 -4.885
83 HD13 LEU 10 HD13 LEU 10 -2.396 -3.156 -5.093
84 HD21 LEU 10 HD21 LEU 10 -2.126 -0.722 -4.230
85 HD22 LEU 10 HD22 LEU 10 -0.726 -0.372 -3.203
86 HD23 LEU 10 HD23 LEU 10 -1.970 -1.511 -2.646
Start of MODEL 4
1 H1 DPN 1 H1 DPN 1 1.531 -5.531 -2.592
2 HA DPN 1 HA DPN 1 2.753 -7.252 -1.652
3 HB2 DPN 1 HB2 DPN 1 2.875 -5.758 0.686
4 HB3 DPN 1 HB3 DPN 1 3.536 -7.348 0.392
5 HD1 DPN 1 HD1 DPN 1 4.366 -3.824 0.959
6 HD2 DPN 1 HD2 DPN 1 5.954 -7.652 -0.223
7 HE1 DPN 1 HE1 DPN 1 6.665 -2.983 1.356
8 HE2 DPN 1 HE2 DPN 1 8.260 -6.824 0.185
9 HZ DPN 1 HZ DPN 1 8.630 -4.483 0.964
10 H3 BE2 2 H3 BE2 2 6.080 -5.968 -4.572
11 HN21 BE2 2 HN21 BE2 2 4.190 -4.028 -2.009
12 H4 BE2 2 H4 BE2 2 7.714 -4.973 -6.082
13 H5 BE2 2 H5 BE2 2 8.271 -2.566 -5.927
14 H6 BE2 2 H6 BE2 2 7.208 -1.143 -4.249
15 H PHE 3 H PHE 3 6.010 -0.168 -3.169
16 HA PHE 3 HA PHE 3 4.985 -0.044 -0.503
17 HB2 PHE 3 HB2 PHE 3 7.103 1.095 -1.169
18 HB3 PHE 3 HB3 PHE 3 6.147 2.122 -2.239
19 HD1 PHE 3 HD1 PHE 3 6.729 1.190 1.316
20 HD2 PHE 3 HD2 PHE 3 4.982 4.048 -1.387
21 HE1 PHE 3 HE1 PHE 3 6.365 2.748 3.218
22 HE2 PHE 3 HE2 PHE 3 4.611 5.624 0.505
23 HZ PHE 3 HZ PHE 3 5.300 4.980 2.813
24 H DPN 4 H DPN 4 3.239 1.250 0.105
25 HA DPN 4 HA DPN 4 0.815 1.341 -1.187
26 HB2 DPN 4 HB2 DPN 4 1.402 4.160 -1.467
27 HB3 DPN 4 HB3 DPN 4 2.565 3.306 -2.470
28 HD1 DPN 4 HD1 DPN 4 1.847 2.227 -4.535
29 HD2 DPN 4 HD2 DPN 4 -1.042 3.877 -1.837
30 HE1 DPN 4 HE1 DPN 4 0.096 1.989 -6.286
31 HE2 DPN 4 HE2 DPN 4 -2.801 3.682 -3.582
32 HZ DPN 4 HZ DPN 4 -2.241 2.723 -5.812
33 H ASN 5 H ASN 5 -0.655 2.776 0.072
34 HA ASN 5 HA ASN 5 0.706 3.989 2.456
35 HB2 ASN 5 HB2 ASN 5 -1.077 5.625 2.565
36 HB3 ASN 5 HB3 ASN 5 -0.336 5.660 0.970
37 HD21 ASN 5 HD21 ASN 5 -3.401 5.197 -0.635
38 HD22 ASN 5 HD22 ASN 5 -1.765 5.783 -0.685
39 H GLN 6 H GLN 6 -1.301 4.297 4.207
40 HA GLN 6 HA GLN 6 -1.504 1.661 5.248
41 HB2 GLN 6 HB2 GLN 6 -2.814 4.274 6.002
42 HB3 GLN 6 HB3 GLN 6 -3.001 2.802 6.956
43 HG2 GLN 6 HG2 GLN 6 -0.558 2.706 7.324
44 HG3 GLN 6 HG3 GLN 6 -0.346 4.164 6.346
45 HE21 GLN 6 HE21 GLN 6 -0.299 5.145 9.834
46 HE22 GLN 6 HE22 GLN 6 0.628 4.056 8.851
47 H TYR 7 H TYR 7 -3.810 3.477 3.330
48 HA TYR 7 HA TYR 7 -5.989 1.581 4.019
49 HB2 TYR 7 HB2 TYR 7 -5.890 4.137 2.365
50 HB3 TYR 7 HB3 TYR 7 -7.329 3.124 2.550
51 HD1 TYR 7 HD1 TYR 7 -8.539 3.010 4.668
52 HD2 TYR 7 HD2 TYR 7 -5.041 5.483 4.295
53 HE1 TYR 7 HE1 TYR 7 -9.143 4.203 6.784
54 HE2 TYR 7 HE2 TYR 7 -5.633 6.640 6.423
55 HH TYR 7 HH TYR 7 -7.127 6.811 8.147
56 H VAL 8 H VAL 8 -3.913 2.609 1.324
57 HA VAL 8 HA VAL 8 -4.978 0.288 -0.235
58 HB VAL 8 HB VAL 8 -3.802 2.860 -1.371
59 HG11 VAL 8 HG11 VAL 8 -5.015 0.379 -2.703
60 HG12 VAL 8 HG12 VAL 8 -3.310 0.894 -2.786
61 HG13 VAL 8 HG13 VAL 8 -4.575 1.875 -3.555
62 HG21 VAL 8 HG21 VAL 8 -6.012 3.282 -0.473
63 HG22 VAL 8 HG22 VAL 8 -6.644 1.795 -1.208
64 HG23 VAL 8 HG23 VAL 8 -6.147 3.160 -2.243
65 H ORN 9 H ORN 9 -3.727 -1.205 0.275
66 HA ORN 9 HA ORN 9 -0.824 -0.748 0.741
67 HB2 ORN 9 HB2 ORN 9 -2.826 -2.861 1.700
68 HB3 ORN 9 HB3 ORN 9 -1.074 -2.966 1.997
69 HG2 ORN 9 HG2 ORN 9 -1.132 -0.818 3.243
70 HG3 ORN 9 HG3 ORN 9 -2.866 -0.641 2.888
71 HD2 ORN 9 HD2 ORN 9 -2.766 -1.473 5.111
72 HD3 ORN 9 HD3 ORN 9 -3.221 -2.870 4.105
73 HE1 ORN 9 HE1 ORN 9 -0.924 -3.570 4.151
74 HE2 ORN 9 HE2 ORN 9 -0.500 -2.261 5.069
75 HE3 ORN 9 3HE ORN 9 -1.505 -3.414 5.689
76 H LEU 10 H LEU 10 0.740 -1.974 -0.260
77 HA LEU 10 HA LEU 10 -0.070 -3.988 -2.235
78 HB2 LEU 10 HB2 LEU 10 1.850 -1.669 -2.552
79 HB3 LEU 10 HB3 LEU 10 1.989 -3.115 -3.522
80 HG LEU 10 HG LEU 10 1.006 -1.419 -4.846
81 HD11 LEU 10 HD11 LEU 10 -1.201 -3.352 -4.043
82 HD12 LEU 10 HD12 LEU 10 0.148 -3.728 -5.144
83 HD13 LEU 10 HD13 LEU 10 -1.042 -2.491 -5.584
84 HD21 LEU 10 HD21 LEU 10 -1.006 -0.224 -4.395
85 HD22 LEU 10 HD22 LEU 10 0.048 -0.038 -2.982
86 HD23 LEU 10 HD23 LEU 10 -1.323 -1.168 -2.923
Start of MODEL 5
1 H1 DPN 1 H1 DPN 1 1.389 -5.687 -3.100
2 HA DPN 1 HA DPN 1 3.384 -6.646 -2.663
3 HB2 DPN 1 HB2 DPN 1 3.213 -5.210 -0.212
4 HB3 DPN 1 HB3 DPN 1 4.121 -6.652 -0.619
5 HD1 DPN 1 HD1 DPN 1 4.354 -3.202 0.313
6 HD2 DPN 1 HD2 DPN 1 6.449 -6.351 -1.740
7 HE1 DPN 1 HE1 DPN 1 6.492 -1.956 0.597
8 HE2 DPN 1 HE2 DPN 1 8.593 -5.114 -1.461
9 HZ DPN 1 HZ DPN 1 8.616 -2.904 -0.300
10 H3 BE2 2 H3 BE2 2 5.064 -3.891 -5.878
11 HN21 BE2 2 HN21 BE2 2 3.763 -3.069 -2.527
12 H4 BE2 2 H4 BE2 2 6.225 -2.300 -7.342
13 H5 BE2 2 H5 BE2 2 6.768 -0.020 -6.541
14 H6 BE2 2 H6 BE2 2 6.162 0.682 -4.273
15 H PHE 3 H PHE 3 6.010 0.896 -2.393
16 HA PHE 3 HA PHE 3 4.934 0.004 0.089
17 HB2 PHE 3 HB2 PHE 3 7.292 0.928 -0.177
18 HB3 PHE 3 HB3 PHE 3 6.529 2.512 -0.334
19 HD1 PHE 3 HD1 PHE 3 5.069 3.353 1.623
20 HD2 PHE 3 HD2 PHE 3 7.678 -0.060 1.931
21 HE1 PHE 3 HE1 PHE 3 4.999 3.528 4.107
22 HE2 PHE 3 HE2 PHE 3 7.618 0.110 4.415
23 HZ PHE 3 HZ PHE 3 6.275 1.904 5.511
24 H DPN 4 H DPN 4 2.885 0.291 0.160
25 HA DPN 4 HA DPN 4 0.803 1.060 -0.185
26 HB2 DPN 4 HB2 DPN 4 0.223 3.067 -1.447
27 HB3 DPN 4 HB3 DPN 4 1.924 3.473 -1.606
28 HD1 DPN 4 HD1 DPN 4 3.327 2.327 -3.241
29 HD2 DPN 4 HD2 DPN 4 -0.731 1.060 -2.561
30 HE1 DPN 4 HE1 DPN 4 3.440 0.890 -5.271
31 HE2 DPN 4 HE2 DPN 4 -0.628 -0.361 -4.607
32 HZ DPN 4 HZ DPN 4 1.463 -0.463 -5.955
33 H ASN 5 H ASN 5 -0.757 2.436 0.763
34 HA ASN 5 HA ASN 5 0.401 3.970 3.056
35 HB2 ASN 5 HB2 ASN 5 -1.459 5.574 2.820
36 HB3 ASN 5 HB3 ASN 5 -0.447 5.539 1.379
37 HD21 ASN 5 HD21 ASN 5 -3.084 4.729 -0.751
38 HD22 ASN 5 HD22 ASN 5 -1.432 5.254 -0.560
39 H GLN 6 H GLN 6 -1.891 4.443 4.460
40 HA GLN 6 HA GLN 6 -2.229 1.930 5.746
41 HB2 GLN 6 HB2 GLN 6 -3.761 4.533 5.991
42 HB3 GLN 6 HB3 GLN 6 -3.903 3.176 7.117
43 HG2 GLN 6 HG2 GLN 6 -1.538 3.407 7.738
44 HG3 GLN 6 HG3 GLN 6 -1.336 4.724 6.584
45 HE21 GLN 6 HE21 GLN 6 -1.771 6.183 9.867
46 HE22 GLN 6 HE22 GLN 6 -0.654 5.064 9.151
47 H TYR 7 H TYR 7 -4.225 3.571 3.370
48 HA TYR 7 HA TYR 7 -6.485 1.740 3.923
49 HB2 TYR 7 HB2 TYR 7 -6.486 3.845 1.779
50 HB3 TYR 7 HB3 TYR 7 -7.814 3.281 2.803
51 HD1 TYR 7 HD1 TYR 7 -5.411 5.881 2.272
52 HD2 TYR 7 HD2 TYR 7 -7.548 3.839 5.407
53 HE1 TYR 7 HE1 TYR 7 -4.988 7.794 3.816
54 HE2 TYR 7 HE2 TYR 7 -7.105 5.758 6.944
55 HH TYR 7 HH TYR 7 -5.282 8.645 5.920
56 H VAL 8 H VAL 8 -4.170 2.555 1.358
57 HA VAL 8 HA VAL 8 -5.072 0.110 -0.113
58 HB VAL 8 HB VAL 8 -4.048 2.723 -1.322
59 HG11 VAL 8 HG11 VAL 8 -3.238 0.789 -2.614
60 HG12 VAL 8 HG12 VAL 8 -4.539 1.598 -3.508
61 HG13 VAL 8 HG13 VAL 8 -4.873 0.083 -2.635
62 HG21 VAL 8 HG21 VAL 8 -6.327 2.748 -2.379
63 HG22 VAL 8 HG22 VAL 8 -6.363 2.928 -0.614
64 HG23 VAL 8 HG23 VAL 8 -6.769 1.359 -1.350
65 H ORN 9 H ORN 9 -3.664 -1.346 0.189
66 HA ORN 9 HA ORN 9 -0.772 -0.718 0.065
67 HB2 ORN 9 HB2 ORN 9 -1.918 -0.824 2.468
68 HB3 ORN 9 HB3 ORN 9 -1.775 -2.577 2.215
69 HG2 ORN 9 HG2 ORN 9 0.664 -2.376 1.899
70 HG3 ORN 9 HG3 ORN 9 0.554 -0.602 1.925
71 HD2 ORN 9 HD2 ORN 9 1.339 -1.254 4.091
72 HD3 ORN 9 HD3 ORN 9 -0.356 -0.760 4.290
73 HE1 ORN 9 HE1 ORN 9 0.607 -3.543 4.056
74 HE2 ORN 9 HE2 ORN 9 0.125 -2.806 5.452
75 HE3 ORN 9 3HE ORN 9 -0.967 -3.086 4.248
76 H LEU 10 H LEU 10 0.269 -2.012 -1.245
77 HA LEU 10 HA LEU 10 -0.632 -4.749 -1.766
78 HB2 LEU 10 HB2 LEU 10 0.072 -2.560 -3.745
79 HB3 LEU 10 HB3 LEU 10 0.244 -4.247 -4.159
80 HG LEU 10 HG LEU 10 -1.702 -3.426 -5.200
81 HD11 LEU 10 HD11 LEU 10 -1.779 -5.737 -4.298
82 HD12 LEU 10 HD12 LEU 10 -3.382 -4.987 -4.419
83 HD13 LEU 10 HD13 LEU 10 -2.588 -5.119 -2.834
84 HD21 LEU 10 HD21 LEU 10 -3.594 -2.428 -4.171
85 HD22 LEU 10 HD22 LEU 10 -2.176 -1.529 -3.596
86 HD23 LEU 10 HD23 LEU 10 -2.964 -2.721 -2.539
Start of MODEL 6
1 H1 DPN 1 H1 DPN 1 1.314 -5.470 -2.664
2 HA DPN 1 HA DPN 1 3.020 -6.859 -2.029
3 HB2 DPN 1 HB2 DPN 1 3.105 -5.441 0.348
4 HB3 DPN 1 HB3 DPN 1 4.098 -6.816 -0.103
5 HD1 DPN 1 HD1 DPN 1 4.151 -3.290 0.751
6 HD2 DPN 1 HD2 DPN 1 6.389 -6.424 -1.178
7 HE1 DPN 1 HE1 DPN 1 6.222 -1.930 0.945
8 HE2 DPN 1 HE2 DPN 1 8.457 -5.055 -0.984
9 HZ DPN 1 HZ DPN 1 8.370 -2.810 0.064
10 H3 BE2 2 H3 BE2 2 5.440 -4.800 -5.370
11 HN21 BE2 2 HN21 BE2 2 3.758 -3.413 -2.362
12 H4 BE2 2 H4 BE2 2 6.822 -3.445 -6.895
13 H5 BE2 2 H5 BE2 2 7.287 -1.062 -6.383
14 H6 BE2 2 H6 BE2 2 6.368 -0.018 -4.354
15 H PHE 3 H PHE 3 6.139 0.339 -2.430
16 HA PHE 3 HA PHE 3 4.560 -0.185 -0.110
17 HB2 PHE 3 HB2 PHE 3 6.914 0.428 0.177
18 HB3 PHE 3 HB3 PHE 3 6.578 1.997 -0.557
19 HD1 PHE 3 HD1 PHE 3 5.692 3.796 0.731
20 HD2 PHE 3 HD2 PHE 3 5.757 -0.184 2.373
21 HE1 PHE 3 HE1 PHE 3 5.045 4.709 2.959
22 HE2 PHE 3 HE2 PHE 3 5.106 0.719 4.597
23 HZ PHE 3 HZ PHE 3 4.738 3.167 4.898
24 H DPN 4 H DPN 4 2.581 0.238 -0.432
25 HA DPN 4 HA DPN 4 0.615 1.204 -1.051
26 HB2 DPN 4 HB2 DPN 4 0.418 3.269 -2.342
27 HB3 DPN 4 HB3 DPN 4 2.152 3.555 -2.225
28 HD1 DPN 4 HD1 DPN 4 -0.468 1.354 -3.680
29 HD2 DPN 4 HD2 DPN 4 3.697 2.426 -3.722
30 HE1 DPN 4 HE1 DPN 4 -0.142 0.032 -5.774
31 HE2 DPN 4 HE2 DPN 4 4.038 1.084 -5.781
32 HZ DPN 4 HZ DPN 4 2.115 -0.122 -6.816
33 H ASN 5 H ASN 5 -0.834 2.824 -0.098
34 HA ASN 5 HA ASN 5 0.508 4.285 2.142
35 HB2 ASN 5 HB2 ASN 5 -1.433 5.745 2.216
36 HB3 ASN 5 HB3 ASN 5 -0.746 5.724 0.589
37 HD21 ASN 5 HD21 ASN 5 -3.687 4.640 -0.920
38 HD22 ASN 5 HD22 ASN 5 -2.048 5.216 -1.094
39 H GLN 6 H GLN 6 -1.483 4.600 3.923
40 HA GLN 6 HA GLN 6 -1.381 2.116 5.279
41 HB2 GLN 6 HB2 GLN 6 -2.965 4.658 5.702
42 HB3 GLN 6 HB3 GLN 6 -2.978 3.309 6.855
43 HG2 GLN 6 HG2 GLN 6 -0.566 3.553 7.217
44 HG3 GLN 6 HG3 GLN 6 -0.484 4.826 6.004
45 HE21 GLN 6 HE21 GLN 6 -0.542 6.392 9.278
46 HE22 GLN 6 HE22 GLN 6 0.472 5.224 8.488
47 H TYR 7 H TYR 7 -3.940 3.532 3.334
48 HA TYR 7 HA TYR 7 -5.829 1.434 4.253
49 HB2 TYR 7 HB2 TYR 7 -6.309 3.804 2.428
50 HB3 TYR 7 HB3 TYR 7 -7.533 2.790 3.198
51 HD1 TYR 7 HD1 TYR 7 -7.807 2.901 5.742
52 HD2 TYR 7 HD2 TYR 7 -5.222 5.624 3.624
53 HE1 TYR 7 HE1 TYR 7 -7.762 4.415 7.721
54 HE2 TYR 7 HE2 TYR 7 -5.194 7.127 5.619
55 HH TYR 7 HH TYR 7 -6.971 6.364 8.604
56 H VAL 8 H VAL 8 -4.263 2.675 1.306
57 HA VAL 8 HA VAL 8 -5.209 0.225 -0.129
58 HB VAL 8 HB VAL 8 -4.331 2.896 -1.306
59 HG11 VAL 8 HG11 VAL 8 -5.360 0.347 -2.655
60 HG12 VAL 8 HG12 VAL 8 -3.713 1.019 -2.784
61 HG13 VAL 8 HG13 VAL 8 -5.090 1.900 -3.472
62 HG21 VAL 8 HG21 VAL 8 -6.735 2.995 -2.045
63 HG22 VAL 8 HG22 VAL 8 -6.527 3.074 -0.285
64 HG23 VAL 8 HG23 VAL 8 -7.047 1.550 -1.047
65 H ORN 9 H ORN 9 -3.802 -1.176 0.271
66 HA ORN 9 HA ORN 9 -0.923 -0.439 0.502
67 HB2 ORN 9 HB2 ORN 9 -2.325 -0.605 2.630
68 HB3 ORN 9 HB3 ORN 9 -2.539 -2.331 2.272
69 HG2 ORN 9 HG2 ORN 9 -0.067 -2.662 2.369
70 HG3 ORN 9 HG3 ORN 9 0.159 -0.925 2.651
71 HD2 ORN 9 HD2 ORN 9 0.305 -1.990 4.798
72 HD3 ORN 9 HD3 ORN 9 -1.265 -1.152 4.749
73 HE1 ORN 9 HE1 ORN 9 -1.435 -3.379 5.644
74 HE2 ORN 9 HE2 ORN 9 -2.293 -3.255 4.245
75 HE3 ORN 9 3HE ORN 9 -0.839 -4.035 4.250
76 H LEU 10 H LEU 10 0.444 -1.679 -0.648
77 HA LEU 10 HA LEU 10 -0.518 -4.175 -1.858
78 HB2 LEU 10 HB2 LEU 10 0.841 -1.776 -3.060
79 HB3 LEU 10 HB3 LEU 10 1.099 -3.367 -3.742
80 HG LEU 10 HG LEU 10 -0.484 -2.111 -5.044
81 HD11 LEU 10 HD11 LEU 10 -0.665 -4.581 -4.907
82 HD12 LEU 10 HD12 LEU 10 -2.219 -3.791 -5.247
83 HD13 LEU 10 HD13 LEU 10 -1.875 -4.404 -3.612
84 HD21 LEU 10 HD21 LEU 10 -2.661 -1.431 -4.290
85 HD22 LEU 10 HD22 LEU 10 -1.470 -0.748 -3.163
86 HD23 LEU 10 HD23 LEU 10 -2.414 -2.185 -2.700
Start of MODEL 7
1 H1 DPN 1 H1 DPN 1 1.328 -5.655 -2.810
2 HA DPN 1 HA DPN 1 3.212 -6.695 -2.168
3 HB2 DPN 1 HB2 DPN 1 2.919 -5.321 0.176
4 HB3 DPN 1 HB3 DPN 1 4.111 -6.559 -0.189
5 HD1 DPN 1 HD1 DPN 1 6.377 -5.683 -1.325
6 HD2 DPN 1 HD2 DPN 1 3.683 -3.269 1.012
7 HE1 DPN 1 HE1 DPN 1 8.221 -4.073 -0.866
8 HE2 DPN 1 HE2 DPN 1 5.528 -1.665 1.495
9 HZ DPN 1 HZ DPN 1 7.800 -2.059 0.547
10 H3 BE2 2 H3 BE2 2 5.127 -4.467 -5.585
11 HN21 BE2 2 HN21 BE2 2 3.806 -3.160 -2.415
12 H4 BE2 2 H4 BE2 2 6.393 -3.142 -7.217
13 H5 BE2 2 H5 BE2 2 7.066 -0.817 -6.695
14 H6 BE2 2 H6 BE2 2 6.474 0.200 -4.553
15 H PHE 3 H PHE 3 6.175 0.741 -2.763
16 HA PHE 3 HA PHE 3 5.284 0.161 -0.125
17 HB2 PHE 3 HB2 PHE 3 7.521 1.097 -0.447
18 HB3 PHE 3 HB3 PHE 3 6.801 2.522 -1.195
19 HD1 PHE 3 HD1 PHE 3 5.906 4.319 0.130
20 HD2 PHE 3 HD2 PHE 3 7.145 0.648 2.006
21 HE1 PHE 3 HE1 PHE 3 5.710 5.401 2.362
22 HE2 PHE 3 HE2 PHE 3 6.943 1.722 4.247
23 HZ PHE 3 HZ PHE 3 6.229 4.106 4.427
24 H DPN 4 H DPN 4 3.199 0.241 -0.107
25 HA DPN 4 HA DPN 4 1.043 0.872 -0.372
26 HB2 DPN 4 HB2 DPN 4 0.305 2.853 -1.622
27 HB3 DPN 4 HB3 DPN 4 1.971 3.340 -1.873
28 HD1 DPN 4 HD1 DPN 4 -0.680 0.962 -2.800
29 HD2 DPN 4 HD2 DPN 4 3.411 2.100 -3.484
30 HE1 DPN 4 HE1 DPN 4 -0.635 -0.429 -4.869
31 HE2 DPN 4 HE2 DPN 4 3.475 0.681 -5.525
32 HZ DPN 4 HZ DPN 4 1.450 -0.587 -6.223
33 H ASN 5 H ASN 5 -0.496 2.301 0.677
34 HA ASN 5 HA ASN 5 0.827 3.727 2.944
35 HB2 ASN 5 HB2 ASN 5 -0.879 5.491 2.818
36 HB3 ASN 5 HB3 ASN 5 0.063 5.409 1.332
37 HD21 ASN 5 HD21 ASN 5 -2.712 4.862 -0.702
38 HD22 ASN 5 HD22 ASN 5 -1.003 5.187 -0.575
39 H GLN 6 H GLN 6 -1.408 4.356 4.396
40 HA GLN 6 HA GLN 6 -1.892 1.880 5.688
41 HB2 GLN 6 HB2 GLN 6 -3.288 4.560 5.899
42 HB3 GLN 6 HB3 GLN 6 -3.513 3.231 7.041
43 HG2 GLN 6 HG2 GLN 6 -1.177 3.355 7.728
44 HG3 GLN 6 HG3 GLN 6 -0.842 4.591 6.514
45 HE21 GLN 6 HE21 GLN 6 -1.260 6.245 9.706
46 HE22 GLN 6 HE22 GLN 6 -0.232 4.983 9.110
47 H TYR 7 H TYR 7 -3.812 3.586 3.296
48 HA TYR 7 HA TYR 7 -6.101 1.758 3.834
49 HB2 TYR 7 HB2 TYR 7 -5.935 4.277 2.140
50 HB3 TYR 7 HB3 TYR 7 -7.401 3.349 2.492
51 HD1 TYR 7 HD1 TYR 7 -4.962 5.787 3.804
52 HD2 TYR 7 HD2 TYR 7 -8.353 3.332 4.813
53 HE1 TYR 7 HE1 TYR 7 -5.278 7.079 5.917
54 HE2 TYR 7 HE2 TYR 7 -8.667 4.644 6.914
55 HH TYR 7 HH TYR 7 -6.468 7.289 7.854
56 H VAL 8 H VAL 8 -3.869 2.807 1.269
57 HA VAL 8 HA VAL 8 -4.908 0.539 -0.392
58 HB VAL 8 HB VAL 8 -3.523 3.081 -1.348
59 HG11 VAL 8 HG11 VAL 8 -2.941 1.144 -2.766
60 HG12 VAL 8 HG12 VAL 8 -4.070 2.205 -3.623
61 HG13 VAL 8 HG13 VAL 8 -4.658 0.694 -2.891
62 HG21 VAL 8 HG21 VAL 8 -6.389 2.087 -1.520
63 HG22 VAL 8 HG22 VAL 8 -5.754 3.474 -2.445
64 HG23 VAL 8 HG23 VAL 8 -5.806 3.537 -0.671
65 H ORN 9 H ORN 9 -3.751 -1.070 0.058
66 HA ORN 9 HA ORN 9 -0.809 -0.777 0.496
67 HB2 ORN 9 HB2 ORN 9 -2.248 -0.801 2.589
68 HB3 ORN 9 HB3 ORN 9 -2.780 -2.432 2.136
69 HG2 ORN 9 HG2 ORN 9 -0.200 -3.006 2.048
70 HG3 ORN 9 HG3 ORN 9 0.012 -1.483 2.936
71 HD2 ORN 9 HD2 ORN 9 -0.099 -3.195 4.598
72 HD3 ORN 9 HD3 ORN 9 -1.677 -2.383 4.644
73 HE1 ORN 9 HE1 ORN 9 -1.080 -4.920 3.252
74 HE2 ORN 9 HE2 ORN 9 -1.914 -4.769 4.667
75 HE3 ORN 9 3HE ORN 9 -2.546 -4.167 3.268
76 H LEU 10 H LEU 10 0.121 -1.854 -1.134
77 HA LEU 10 HA LEU 10 -0.680 -4.606 -1.734
78 HB2 LEU 10 HB2 LEU 10 0.158 -2.377 -3.588
79 HB3 LEU 10 HB3 LEU 10 0.381 -4.048 -4.034
80 HG LEU 10 HG LEU 10 -1.511 -3.177 -5.175
81 HD11 LEU 10 HD11 LEU 10 -2.497 -5.037 -2.978
82 HD12 LEU 10 HD12 LEU 10 -1.582 -5.540 -4.421
83 HD13 LEU 10 HD13 LEU 10 -3.196 -4.827 -4.598
84 HD21 LEU 10 HD21 LEU 10 -3.498 -2.299 -4.200
85 HD22 LEU 10 HD22 LEU 10 -2.143 -1.395 -3.497
86 HD23 LEU 10 HD23 LEU 10 -2.950 -2.669 -2.553
Start of MODEL 8
1 H1 DPN 1 H1 DPN 1 1.528 -5.434 -3.284
2 HA DPN 1 HA DPN 1 3.263 -6.853 -2.845
3 HB2 DPN 1 HB2 DPN 1 3.357 -5.640 -0.308
4 HB3 DPN 1 HB3 DPN 1 4.164 -7.088 -0.858
5 HD1 DPN 1 HD1 DPN 1 4.595 -3.495 -0.116
6 HD2 DPN 1 HD2 DPN 1 6.519 -7.074 -1.541
7 HE1 DPN 1 HE1 DPN 1 6.808 -2.425 0.212
8 HE2 DPN 1 HE2 DPN 1 8.738 -6.003 -1.228
9 HZ DPN 1 HZ DPN 1 8.889 -3.682 -0.340
10 H3 BE2 2 H3 BE2 2 6.055 -4.404 -5.653
11 HN21 BE2 2 HN21 BE2 2 3.933 -3.380 -2.749
12 H4 BE2 2 H4 BE2 2 7.540 -2.842 -6.823
13 H5 BE2 2 H5 BE2 2 7.763 -0.503 -6.061
14 H6 BE2 2 H6 BE2 2 6.499 0.310 -4.099
15 H PHE 3 H PHE 3 6.052 0.355 -2.113
16 HA PHE 3 HA PHE 3 4.010 -0.354 -0.238
17 HB2 PHE 3 HB2 PHE 3 6.324 0.055 0.535
18 HB3 PHE 3 HB3 PHE 3 6.168 1.744 0.017
19 HD1 PHE 3 HD1 PHE 3 5.092 -0.793 2.472
20 HD2 PHE 3 HD2 PHE 3 4.786 3.325 1.279
21 HE1 PHE 3 HE1 PHE 3 4.089 -0.257 4.684
22 HE2 PHE 3 HE2 PHE 3 3.752 3.888 3.482
23 HZ PHE 3 HZ PHE 3 3.416 2.093 5.201
24 H DPN 4 H DPN 4 2.118 0.493 -0.484
25 HA DPN 4 HA DPN 4 0.374 1.727 -1.247
26 HB2 DPN 4 HB2 DPN 4 0.569 3.605 -2.758
27 HB3 DPN 4 HB3 DPN 4 2.316 3.633 -2.583
28 HD1 DPN 4 HD1 DPN 4 -0.594 1.814 -3.983
29 HD2 DPN 4 HD2 DPN 4 3.713 1.962 -3.756
30 HE1 DPN 4 HE1 DPN 4 -0.449 0.197 -5.861
31 HE2 DPN 4 HE2 DPN 4 3.856 0.313 -5.641
32 HZ DPN 4 HZ DPN 4 1.783 -0.559 -6.686
33 H ASN 5 H ASN 5 -0.558 2.372 0.552
34 HA ASN 5 HA ASN 5 0.716 4.490 2.164
35 HB2 ASN 5 HB2 ASN 5 -1.311 5.899 2.170
36 HB3 ASN 5 HB3 ASN 5 -0.591 5.799 0.553
37 HD21 ASN 5 HD21 ASN 5 -3.514 4.548 -0.891
38 HD22 ASN 5 HD22 ASN 5 -1.914 5.220 -1.081
39 H GLN 6 H GLN 6 -1.349 4.966 3.935
40 HA GLN 6 HA GLN 6 -1.160 2.639 5.533
41 HB2 GLN 6 HB2 GLN 6 -2.920 5.091 5.696
42 HB3 GLN 6 HB3 GLN 6 -2.891 3.840 6.943
43 HG2 GLN 6 HG2 GLN 6 -0.507 4.242 7.358
44 HG3 GLN 6 HG3 GLN 6 -0.478 5.486 6.105
45 HE21 GLN 6 HE21 GLN 6 -0.790 7.129 9.328
46 HE22 GLN 6 HE22 GLN 6 0.355 6.033 8.631
47 H TYR 7 H TYR 7 -3.795 3.694 3.443
48 HA TYR 7 HA TYR 7 -5.511 1.531 4.535
49 HB2 TYR 7 HB2 TYR 7 -6.099 3.734 2.551
50 HB3 TYR 7 HB3 TYR 7 -7.291 2.619 3.243
51 HD1 TYR 7 HD1 TYR 7 -7.723 2.701 5.743
52 HD2 TYR 7 HD2 TYR 7 -5.398 5.706 3.738
53 HE1 TYR 7 HE1 TYR 7 -8.037 4.242 7.687
54 HE2 TYR 7 HE2 TYR 7 -5.708 7.250 5.690
55 HH TYR 7 HH TYR 7 -7.563 6.287 8.593
56 H VAL 8 H VAL 8 -3.934 2.552 1.532
57 HA VAL 8 HA VAL 8 -4.873 0.031 0.256
58 HB VAL 8 HB VAL 8 -3.876 2.571 -1.090
59 HG11 VAL 8 HG11 VAL 8 -4.694 1.445 -3.181
60 HG12 VAL 8 HG12 VAL 8 -5.016 -0.023 -2.230
61 HG13 VAL 8 HG13 VAL 8 -3.354 0.582 -2.406
62 HG21 VAL 8 HG21 VAL 8 -6.667 1.408 -0.752
63 HG22 VAL 8 HG22 VAL 8 -6.274 2.745 -1.854
64 HG23 VAL 8 HG23 VAL 8 -6.067 2.957 -0.098
65 H ORN 9 H ORN 9 -3.534 -1.422 0.529
66 HA ORN 9 HA ORN 9 -0.587 -0.909 0.608
67 HB2 ORN 9 HB2 ORN 9 -2.384 -2.826 2.154
68 HB3 ORN 9 HB3 ORN 9 -0.611 -2.932 2.176
69 HG2 ORN 9 HG2 ORN 9 -0.449 -0.658 3.135
70 HG3 ORN 9 HG3 ORN 9 -2.209 -0.461 3.046
71 HD2 ORN 9 HD2 ORN 9 -2.509 -2.367 4.602
72 HD3 ORN 9 HD3 ORN 9 -0.745 -2.572 4.702
73 HE1 ORN 9 HE1 ORN 9 -0.633 -0.357 5.623
74 HE2 ORN 9 HE2 ORN 9 -2.273 -0.167 5.496
75 HE3 ORN 9 3HE ORN 9 -1.645 -1.295 6.529
76 H LEU 10 H LEU 10 0.682 -2.053 -0.740
77 HA LEU 10 HA LEU 10 -0.357 -4.364 -2.213
78 HB2 LEU 10 HB2 LEU 10 0.815 -1.788 -3.246
79 HB3 LEU 10 HB3 LEU 10 1.150 -3.298 -4.081
80 HG LEU 10 HG LEU 10 -0.527 -2.156 -5.263
81 HD11 LEU 10 HD11 LEU 10 -0.674 -4.618 -5.135
82 HD12 LEU 10 HD12 LEU 10 -2.233 -3.844 -5.441
83 HD13 LEU 10 HD13 LEU 10 -1.862 -4.466 -3.820
84 HD21 LEU 10 HD21 LEU 10 -2.370 -2.261 -2.852
85 HD22 LEU 10 HD22 LEU 10 -2.670 -1.508 -4.435
86 HD23 LEU 10 HD23 LEU 10 -1.445 -0.820 -3.348
Start of MODEL 9
1 H1 DPN 1 H1 DPN 1 1.471 -5.342 -3.096
2 HA DPN 1 HA DPN 1 3.232 -6.757 -2.783
3 HB2 DPN 1 HB2 DPN 1 3.556 -5.535 -0.295
4 HB3 DPN 1 HB3 DPN 1 4.334 -6.978 -0.918
5 HD1 DPN 1 HD1 DPN 1 4.809 -3.451 -0.044
6 HD2 DPN 1 HD2 DPN 1 6.588 -6.852 -1.970
7 HE1 DPN 1 HE1 DPN 1 7.028 -2.332 0.055
8 HE2 DPN 1 HE2 DPN 1 8.809 -5.755 -1.884
9 HZ DPN 1 HZ DPN 1 9.049 -3.483 -0.877
10 H3 BE2 2 H3 BE2 2 5.773 -4.353 -5.869
11 HN21 BE2 2 HN21 BE2 2 4.038 -3.299 -2.737
12 H4 BE2 2 H4 BE2 2 7.212 -2.842 -7.184
13 H5 BE2 2 H5 BE2 2 7.632 -0.511 -6.396
14 H6 BE2 2 H6 BE2 2 6.631 0.291 -4.309
15 H PHE 3 H PHE 3 6.309 0.485 -2.440
16 HA PHE 3 HA PHE 3 4.681 -0.245 -0.202
17 HB2 PHE 3 HB2 PHE 3 7.056 0.429 0.105
18 HB3 PHE 3 HB3 PHE 3 6.578 2.075 -0.392
19 HD1 PHE 3 HD1 PHE 3 5.321 3.515 1.134
20 HD2 PHE 3 HD2 PHE 3 6.304 -0.522 2.231
21 HE1 PHE 3 HE1 PHE 3 4.688 4.012 3.495
22 HE2 PHE 3 HE2 PHE 3 5.684 -0.037 4.616
23 HZ PHE 3 HZ PHE 3 4.884 2.247 5.238
24 H DPN 4 H DPN 4 2.663 0.255 -0.361
25 HA DPN 4 HA DPN 4 0.699 1.251 -0.933
26 HB2 DPN 4 HB2 DPN 4 0.516 3.276 -2.317
27 HB3 DPN 4 HB3 DPN 4 2.267 3.470 -2.298
28 HD1 DPN 4 HD1 DPN 4 -0.573 1.632 -3.716
29 HD2 DPN 4 HD2 DPN 4 3.729 1.862 -3.568
30 HE1 DPN 4 HE1 DPN 4 -0.417 0.210 -5.747
31 HE2 DPN 4 HE2 DPN 4 3.876 0.395 -5.572
32 HZ DPN 4 HZ DPN 4 1.801 -0.434 -6.674
33 H ASN 5 H ASN 5 -0.665 2.322 0.399
34 HA ASN 5 HA ASN 5 0.662 4.192 2.317
35 HB2 ASN 5 HB2 ASN 5 -1.208 5.744 2.175
36 HB3 ASN 5 HB3 ASN 5 -0.475 5.520 0.589
37 HD21 ASN 5 HD21 ASN 5 -3.460 4.541 -0.909
38 HD22 ASN 5 HD22 ASN 5 -1.816 5.116 -1.078
39 H GLN 6 H GLN 6 -1.373 4.820 3.951
40 HA GLN 6 HA GLN 6 -1.403 2.587 5.675
41 HB2 GLN 6 HB2 GLN 6 -3.166 5.044 5.643
42 HB3 GLN 6 HB3 GLN 6 -3.052 3.915 6.978
43 HG2 GLN 6 HG2 GLN 6 -0.695 4.457 7.306
44 HG3 GLN 6 HG3 GLN 6 -0.714 5.539 5.909
45 HE21 GLN 6 HE21 GLN 6 -1.047 7.554 8.918
46 HE22 GLN 6 HE22 GLN 6 0.118 6.407 8.323
47 H TYR 7 H TYR 7 -3.846 3.586 3.349
48 HA TYR 7 HA TYR 7 -5.677 1.512 4.441
49 HB2 TYR 7 HB2 TYR 7 -6.180 3.799 2.511
50 HB3 TYR 7 HB3 TYR 7 -7.393 2.659 3.114
51 HD1 TYR 7 HD1 TYR 7 -5.508 5.705 3.842
52 HD2 TYR 7 HD2 TYR 7 -7.934 2.621 5.618
53 HE1 TYR 7 HE1 TYR 7 -5.893 7.146 5.830
54 HE2 TYR 7 HE2 TYR 7 -8.316 4.087 7.598
55 HH TYR 7 HH TYR 7 -7.895 6.087 8.580
56 H VAL 8 H VAL 8 -4.052 2.562 1.450
57 HA VAL 8 HA VAL 8 -5.029 0.055 0.150
58 HB VAL 8 HB VAL 8 -3.920 2.591 -1.111
59 HG11 VAL 8 HG11 VAL 8 -4.674 1.555 -3.248
60 HG12 VAL 8 HG12 VAL 8 -5.081 0.064 -2.361
61 HG13 VAL 8 HG13 VAL 8 -3.391 0.607 -2.463
62 HG21 VAL 8 HG21 VAL 8 -6.144 2.971 -0.192
63 HG22 VAL 8 HG22 VAL 8 -6.735 1.436 -0.881
64 HG23 VAL 8 HG23 VAL 8 -6.296 2.799 -1.947
65 H ORN 9 H ORN 9 -3.748 -1.455 0.549
66 HA ORN 9 HA ORN 9 -0.826 -0.990 0.932
67 HB2 ORN 9 HB2 ORN 9 -2.809 -2.992 2.120
68 HB3 ORN 9 HB3 ORN 9 -1.062 -3.044 2.419
69 HG2 ORN 9 HG2 ORN 9 -1.122 -0.869 3.551
70 HG3 ORN 9 HG3 ORN 9 -2.826 -0.613 3.092
71 HD2 ORN 9 HD2 ORN 9 -3.555 -2.466 4.456
72 HD3 ORN 9 HD3 ORN 9 -1.873 -2.927 4.819
73 HE1 ORN 9 HE1 ORN 9 -1.609 -0.890 6.003
74 HE2 ORN 9 HE2 ORN 9 -3.122 -0.370 5.599
75 HE3 ORN 9 3HE ORN 9 -2.929 -1.674 6.592
76 H LEU 10 H LEU 10 0.603 -2.049 -0.377
77 HA LEU 10 HA LEU 10 -0.292 -4.297 -2.030
78 HB2 LEU 10 HB2 LEU 10 0.755 -1.635 -2.932
79 HB3 LEU 10 HB3 LEU 10 1.199 -3.071 -3.813
80 HG LEU 10 HG LEU 10 -0.518 -2.046 -5.009
81 HD11 LEU 10 HD11 LEU 10 -1.812 -4.379 -3.567
82 HD12 LEU 10 HD12 LEU 10 -0.603 -4.518 -4.871
83 HD13 LEU 10 HD13 LEU 10 -2.183 -3.788 -5.198
84 HD21 LEU 10 HD21 LEU 10 -1.473 -0.737 -3.088
85 HD22 LEU 10 HD22 LEU 10 -2.397 -2.198 -2.660
86 HD23 LEU 10 HD23 LEU 10 -2.651 -1.410 -4.225
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