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 |
|
|
515016 |
2ldc   |
17658 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 H1 ACE 0 -3.375 -5.019 7.927
2 H2 ACE 0 H2 ACE 0 -3.600 -3.691 9.061
3 H3 ACE 0 H3 ACE 0 -2.000 -4.010 8.374
4 H HIS 1 HN HIS 1 -2.437 -1.577 7.986
5 HA HIS 1 HA HIS 1 -3.929 -1.054 5.498
6 HB2 HIS 1 HB2 HIS 1 -4.118 0.351 7.706
7 HB3 HIS 1 HB1 HIS 1 -2.640 1.098 7.130
8 HD1 HIS 1 HD1 HIS 1 -6.218 0.552 6.051
9 HD2 HIS 1 HD2 HIS 1 -3.012 3.063 5.316
10 HE1 HIS 1 HE1 HIS 1 -7.134 2.366 4.591
11 HE2 HIS 1 HE2 HIS 1 -5.195 3.941 4.245
12 HN MK8 2 HN MK8 2 -0.631 -1.006 6.854
13 HB MK8 2 HB11 MK8 2 1.954 -0.512 6.966
14 HBA MK8 2 HB12 MK8 2 2.772 -0.952 5.485
15 HD MK8 2 HD11 MK8 2 1.614 -3.256 4.456
16 HDA MK8 2 HD12 MK8 2 1.874 -4.531 5.611
17 HE MK8 2 HE1 MK8 2 4.361 -3.867 5.673
18 HG MK8 2 HG11 MK8 2 0.817 -2.805 6.772
19 HGA MK8 2 HG12 MK8 2 2.489 -2.739 7.257
20 HB1 MK8 2 HB21 MK8 2 0.063 1.541 4.851
21 HB1A MK8 2 HB22 MK8 2 1.783 1.232 4.604
22 HB1B MK8 2 HB23 MK8 2 1.143 1.353 6.243
23 H ILE 3 HN ILE 3 -0.422 -2.671 4.489
24 HA ILE 3 HA ILE 3 0.958 -3.361 2.144
25 HB ILE 3 HB ILE 3 -1.866 -4.415 2.606
26 HG12 ILE 3 HG12 ILE 3 -0.724 -6.299 3.930
27 HG13 ILE 3 HG11 ILE 3 0.591 -5.180 4.205
28 HG21 ILE 3 HG21 ILE 3 -0.780 -6.528 1.797
29 HG22 ILE 3 HG22 ILE 3 0.686 -5.590 1.508
30 HG23 ILE 3 HG23 ILE 3 -0.788 -5.208 0.620
31 HD11 ILE 3 HD11 ILE 3 -0.540 -4.696 6.055
32 HD12 ILE 3 HD12 ILE 3 -2.049 -5.356 5.437
33 HD13 ILE 3 HD13 ILE 3 -1.549 -3.723 4.991
34 H LEU 4 HN LEU 4 -2.145 -1.787 2.721
35 HA LEU 4 HA LEU 4 -3.203 -1.482 0.175
36 HB2 LEU 4 HB2 LEU 4 -4.328 -1.006 2.341
37 HB3 LEU 4 HB1 LEU 4 -3.366 0.430 2.517
38 HG LEU 4 HG LEU 4 -5.205 0.136 0.163
39 HD11 LEU 4 HD11 LEU 4 -6.101 -0.096 2.756
40 HD12 LEU 4 HD12 LEU 4 -7.055 0.435 1.375
41 HD13 LEU 4 HD13 LEU 4 -6.279 1.625 2.419
42 HD21 LEU 4 HD21 LEU 4 -3.492 2.004 0.387
43 HD22 LEU 4 HD22 LEU 4 -4.447 2.583 1.754
44 HD23 LEU 4 HD23 LEU 4 -5.159 2.508 0.145
45 H HIS 5 HN HIS 5 -0.715 0.315 1.860
46 HA HIS 5 HA HIS 5 -0.442 2.436 -0.065
47 HB2 HIS 5 HB2 HIS 5 0.520 1.797 2.591
48 HB3 HIS 5 HB1 HIS 5 1.794 2.496 1.581
49 HD1 HIS 5 HD1 HIS 5 1.134 4.890 0.457
50 HD2 HIS 5 HD2 HIS 5 -1.286 3.577 3.597
51 HE1 HIS 5 HE1 HIS 5 -0.158 6.907 1.236
52 HE2 HIS 5 HE2 HIS 5 -1.563 6.102 3.156
53 HN MK8 6 HN MK8 6 1.647 -0.324 0.970
54 HB MK8 6 HB11 MK8 6 4.320 -2.388 -0.394
55 HBA MK8 6 HB12 MK8 6 2.638 -2.789 -0.114
56 HD MK8 6 HD11 MK8 6 3.806 -4.080 1.548
57 HDA MK8 6 HD12 MK8 6 2.436 -3.476 2.445
58 HE MK8 6 HE1 MK8 6 5.276 -3.713 3.527
59 HG MK8 6 HG11 MK8 6 2.935 -1.276 2.012
60 HGA MK8 6 HG12 MK8 6 4.645 -1.613 1.754
61 HB1 MK8 6 HB21 MK8 6 4.118 1.071 -0.234
62 HB1A MK8 6 HB22 MK8 6 4.265 0.535 -1.905
63 HB1B MK8 6 HB23 MK8 6 5.114 -0.332 -0.625
64 H LEU 7 HN LEU 7 0.520 -0.783 -1.415
65 HA LEU 7 HA LEU 7 0.859 -2.235 -3.911
66 HB2 LEU 7 HB2 LEU 7 -0.991 -2.725 -2.202
67 HB3 LEU 7 HB1 LEU 7 -1.747 -1.234 -2.721
68 HG LEU 7 HG LEU 7 -1.667 -2.295 -5.108
69 HD11 LEU 7 HD11 LEU 7 -1.980 -4.758 -5.029
70 HD12 LEU 7 HD12 LEU 7 -1.457 -4.750 -3.349
71 HD13 LEU 7 HD13 LEU 7 -0.344 -4.256 -4.618
72 HD21 LEU 7 HD21 LEU 7 -3.615 -1.985 -3.239
73 HD22 LEU 7 HD22 LEU 7 -3.647 -3.731 -3.478
74 HD23 LEU 7 HD23 LEU 7 -3.881 -2.654 -4.852
75 H LEU 8 HN LEU 8 -0.228 0.956 -2.769
76 HA LEU 8 HA LEU 8 -0.980 1.972 -5.343
77 HB2 LEU 8 HB2 LEU 8 -0.476 3.550 -2.827
78 HB3 LEU 8 HB1 LEU 8 -1.371 4.076 -4.237
79 HG LEU 8 HG LEU 8 -2.326 1.724 -2.595
80 HD11 LEU 8 HD11 LEU 8 -2.659 3.073 -0.866
81 HD12 LEU 8 HD12 LEU 8 -3.808 3.963 -1.865
82 HD13 LEU 8 HD13 LEU 8 -2.125 4.480 -1.784
83 HD21 LEU 8 HD21 LEU 8 -4.558 2.842 -3.387
84 HD22 LEU 8 HD22 LEU 8 -3.631 1.834 -4.499
85 HD23 LEU 8 HD23 LEU 8 -3.521 3.587 -4.605
86 H GLN 9 HN GLN 9 1.834 2.212 -3.260
87 HA GLN 9 HA GLN 9 3.232 4.257 -4.691
88 HB2 GLN 9 HB2 GLN 9 4.237 2.265 -2.653
89 HB3 GLN 9 HB1 GLN 9 5.115 3.680 -3.211
90 HG2 GLN 9 HG2 GLN 9 3.370 5.131 -2.260
91 HG3 GLN 9 HG1 GLN 9 2.520 3.694 -1.675
92 HE21 GLN 9 HE21 GLN 9 4.530 6.103 -0.757
93 HE22 GLN 9 HE22 GLN 9 5.288 5.353 0.593
94 H ASP 10 HN ASP 10 3.161 0.780 -4.729
95 HA ASP 10 HA ASP 10 5.513 0.291 -6.262
96 HB2 ASP 10 HB2 ASP 10 4.346 -1.356 -4.786
97 HB3 ASP 10 HB1 ASP 10 3.063 -1.471 -5.998
98 H SER 11 HN SER 11 2.035 0.436 -7.001
99 HA SER 11 HA SER 11 2.041 -0.136 -9.744
100 HB2 SER 11 HB2 SER 11 -0.144 0.983 -9.788
101 HB3 SER 11 HB1 SER 11 -0.014 -0.104 -8.423
102 HG SER 11 HG SER 11 -0.609 2.474 -8.401
103 HN1 NH2 12 HN1 NH2 12 2.068 2.995 -8.087
104 HN2 NH2 12 HN2 NH2 12 2.680 3.900 -9.433
Start of MODEL 2
1 H1 ACE 0 H1 ACE 0 -3.891 -3.723 8.509
2 H2 ACE 0 H2 ACE 0 -2.572 -2.656 8.954
3 H3 ACE 0 H3 ACE 0 -2.240 -4.107 7.999
4 H HIS 1 HN HIS 1 -2.676 -0.787 7.905
5 HA HIS 1 HA HIS 1 -3.902 -0.531 5.287
6 HB2 HIS 1 HB2 HIS 1 -4.097 1.093 7.316
7 HB3 HIS 1 HB1 HIS 1 -2.557 1.718 6.741
8 HD1 HIS 1 HD1 HIS 1 -6.097 1.144 5.445
9 HD2 HIS 1 HD2 HIS 1 -2.804 3.600 4.816
10 HE1 HIS 1 HE1 HIS 1 -6.859 2.867 3.765
11 HE2 HIS 1 HE2 HIS 1 -4.815 4.292 3.339
12 HN MK8 2 HN MK8 2 -0.777 -0.849 6.691
13 HB MK8 2 HB11 MK8 2 0.986 -2.165 6.577
14 HBA MK8 2 HB12 MK8 2 1.711 -0.666 7.078
15 HD MK8 2 HD11 MK8 2 2.111 -3.052 4.338
16 HDA MK8 2 HD12 MK8 2 2.505 -3.910 5.806
17 HE MK8 2 HE1 MK8 2 4.911 -4.071 5.107
18 HG MK8 2 HG11 MK8 2 3.542 -2.025 6.751
19 HGA MK8 2 HG12 MK8 2 3.488 -1.142 5.225
20 HB1 MK8 2 HB21 MK8 2 0.392 1.593 5.126
21 HB1A MK8 2 HB22 MK8 2 1.812 1.045 4.235
22 HB1B MK8 2 HB23 MK8 2 1.841 1.087 5.997
23 H ILE 3 HN ILE 3 -0.017 -2.951 4.743
24 HA ILE 3 HA ILE 3 1.137 -3.708 2.364
25 HB ILE 3 HB ILE 3 -1.581 -4.861 3.110
26 HG12 ILE 3 HG12 ILE 3 -0.174 -6.607 4.433
27 HG13 ILE 3 HG11 ILE 3 1.052 -5.354 4.507
28 HG21 ILE 3 HG21 ILE 3 -0.061 -5.543 1.047
29 HG22 ILE 3 HG22 ILE 3 -0.976 -6.746 1.957
30 HG23 ILE 3 HG23 ILE 3 0.746 -6.525 2.276
31 HD11 ILE 3 HD11 ILE 3 -0.070 -4.174 6.042
32 HD12 ILE 3 HD12 ILE 3 -0.780 -5.745 6.396
33 HD13 ILE 3 HD13 ILE 3 -1.653 -4.585 5.389
34 H LEU 4 HN LEU 4 -1.864 -2.005 2.911
35 HA LEU 4 HA LEU 4 -3.059 -2.069 0.355
36 HB2 LEU 4 HB2 LEU 4 -4.138 -1.393 2.531
37 HB3 LEU 4 HB1 LEU 4 -3.226 0.095 2.470
38 HG LEU 4 HG LEU 4 -5.159 -0.634 0.275
39 HD11 LEU 4 HD11 LEU 4 -6.508 -0.790 2.198
40 HD12 LEU 4 HD12 LEU 4 -6.769 0.831 1.552
41 HD13 LEU 4 HD13 LEU 4 -5.727 0.598 2.954
42 HD21 LEU 4 HD21 LEU 4 -5.190 1.681 -0.208
43 HD22 LEU 4 HD22 LEU 4 -3.490 1.315 0.088
44 HD23 LEU 4 HD23 LEU 4 -4.450 2.098 1.342
45 H HIS 5 HN HIS 5 -1.006 0.311 1.979
46 HA HIS 5 HA HIS 5 -0.725 2.194 -0.086
47 HB2 HIS 5 HB2 HIS 5 0.366 1.691 2.547
48 HB3 HIS 5 HB1 HIS 5 1.557 2.394 1.474
49 HD1 HIS 5 HD1 HIS 5 0.732 4.698 0.246
50 HD2 HIS 5 HD2 HIS 5 -1.385 3.446 3.610
51 HE1 HIS 5 HE1 HIS 5 -0.467 6.740 1.080
52 HE2 HIS 5 HE2 HIS 5 -1.692 5.982 3.148
53 HN MK8 6 HN MK8 6 1.344 -0.596 0.848
54 HB MK8 6 HB11 MK8 6 4.012 -2.607 -0.517
55 HBA MK8 6 HB12 MK8 6 2.308 -2.973 -0.429
56 HD MK8 6 HD11 MK8 6 3.815 -4.323 1.029
57 HDA MK8 6 HD12 MK8 6 2.461 -4.228 2.127
58 HE MK8 6 HE1 MK8 6 5.300 -4.497 2.853
59 HG MK8 6 HG11 MK8 6 2.219 -2.026 1.855
60 HGA MK8 6 HG12 MK8 6 3.955 -1.722 1.779
61 HB1 MK8 6 HB21 MK8 6 4.855 -0.582 -0.452
62 HB1A MK8 6 HB22 MK8 6 3.876 0.828 -0.059
63 HB1B MK8 6 HB23 MK8 6 4.179 0.412 -1.743
64 H LEU 7 HN LEU 7 0.319 -0.952 -1.592
65 HA LEU 7 HA LEU 7 0.741 -2.137 -4.184
66 HB2 LEU 7 HB2 LEU 7 -1.158 -2.729 -2.627
67 HB3 LEU 7 HB1 LEU 7 -1.853 -1.166 -2.979
68 HG LEU 7 HG LEU 7 -1.790 -1.955 -5.472
69 HD11 LEU 7 HD11 LEU 7 -2.374 -4.550 -5.300
70 HD12 LEU 7 HD12 LEU 7 -1.171 -4.442 -4.004
71 HD13 LEU 7 HD13 LEU 7 -0.754 -3.945 -5.647
72 HD21 LEU 7 HD21 LEU 7 -3.923 -3.517 -4.553
73 HD22 LEU 7 HD22 LEU 7 -3.973 -1.815 -5.008
74 HD23 LEU 7 HD23 LEU 7 -3.705 -2.266 -3.326
75 H LEU 8 HN LEU 8 -0.326 0.986 -2.909
76 HA LEU 8 HA LEU 8 -0.930 2.259 -5.385
77 HB2 LEU 8 HB2 LEU 8 -0.565 3.209 -2.555
78 HB3 LEU 8 HB1 LEU 8 -0.854 4.335 -3.853
79 HG LEU 8 HG LEU 8 -2.837 3.946 -2.501
80 HD11 LEU 8 HD11 LEU 8 -2.777 3.796 -5.300
81 HD12 LEU 8 HD12 LEU 8 -4.073 4.405 -4.270
82 HD13 LEU 8 HD13 LEU 8 -4.046 2.710 -4.752
83 HD21 LEU 8 HD21 LEU 8 -2.949 1.840 -1.616
84 HD22 LEU 8 HD22 LEU 8 -2.458 1.057 -3.121
85 HD23 LEU 8 HD23 LEU 8 -4.093 1.697 -2.944
86 H GLN 9 HN GLN 9 1.844 2.171 -3.202
87 HA GLN 9 HA GLN 9 3.398 4.252 -4.413
88 HB2 GLN 9 HB2 GLN 9 4.189 2.066 -2.482
89 HB3 GLN 9 HB1 GLN 9 5.193 3.433 -2.921
90 HG2 GLN 9 HG2 GLN 9 2.477 3.762 -1.673
91 HG3 GLN 9 HG1 GLN 9 3.941 3.602 -0.719
92 HE21 GLN 9 HE21 GLN 9 4.637 5.509 -0.003
93 HE22 GLN 9 HE22 GLN 9 4.569 6.996 -0.882
94 H ASP 10 HN ASP 10 3.234 0.720 -4.664
95 HA ASP 10 HA ASP 10 5.562 0.302 -6.244
96 HB2 ASP 10 HB2 ASP 10 4.384 -1.429 -4.846
97 HB3 ASP 10 HB1 ASP 10 3.125 -1.469 -6.061
98 H SER 11 HN SER 11 2.077 0.510 -6.934
99 HA SER 11 HA SER 11 2.111 0.064 -9.687
100 HB2 SER 11 HB2 SER 11 0.160 1.573 -7.949
101 HB3 SER 11 HB1 SER 11 -0.121 1.204 -9.647
102 HG SER 11 HG SER 11 0.055 -1.014 -9.096
103 HN1 NH2 12 HN1 NH2 12 2.578 2.999 -7.825
104 HN2 NH2 12 HN2 NH2 12 2.902 4.025 -9.154
Start of MODEL 3
1 H1 ACE 0 H1 ACE 0 -2.095 -3.607 8.453
2 H2 ACE 0 H2 ACE 0 -3.205 -4.743 7.689
3 H3 ACE 0 H3 ACE 0 -3.824 -3.521 8.797
4 H HIS 1 HN HIS 1 -2.524 -1.243 7.989
5 HA HIS 1 HA HIS 1 -3.809 -0.614 5.463
6 HB2 HIS 1 HB2 HIS 1 -3.918 0.777 7.660
7 HB3 HIS 1 HB1 HIS 1 -2.342 1.375 7.166
8 HD1 HIS 1 HD1 HIS 1 -5.908 1.220 5.842
9 HD2 HIS 1 HD2 HIS 1 -2.424 3.432 5.424
10 HE1 HIS 1 HE1 HIS 1 -6.525 3.196 4.406
11 HE2 HIS 1 HE2 HIS 1 -4.393 4.486 4.126
12 HN MK8 2 HN MK8 2 -0.652 -1.288 6.706
13 HB MK8 2 HB11 MK8 2 1.090 -2.727 6.248
14 HBA MK8 2 HB12 MK8 2 1.832 -1.340 6.999
15 HD MK8 2 HD11 MK8 2 2.594 -4.190 6.180
16 HDA MK8 2 HD12 MK8 2 4.206 -4.015 5.585
17 HE MK8 2 HE1 MK8 2 2.148 -5.324 4.171
18 HG MK8 2 HG11 MK8 2 3.801 -1.912 6.230
19 HGA MK8 2 HG12 MK8 2 3.238 -1.789 4.581
20 HB1 MK8 2 HB21 MK8 2 1.113 1.142 4.373
21 HB1A MK8 2 HB22 MK8 2 2.423 0.545 5.394
22 HB1B MK8 2 HB23 MK8 2 0.919 1.091 6.131
23 H ILE 3 HN ILE 3 -0.091 -3.141 4.486
24 HA ILE 3 HA ILE 3 0.860 -3.706 1.983
25 HB ILE 3 HB ILE 3 -1.775 -4.769 1.953
26 HG12 ILE 3 HG12 ILE 3 -2.070 -4.611 4.336
27 HG13 ILE 3 HG11 ILE 3 -1.760 -6.277 3.923
28 HG21 ILE 3 HG21 ILE 3 -0.387 -6.096 0.834
29 HG22 ILE 3 HG22 ILE 3 -0.202 -6.918 2.384
30 HG23 ILE 3 HG23 ILE 3 0.990 -5.727 1.866
31 HD11 ILE 3 HD11 ILE 3 -0.776 -5.349 6.089
32 HD12 ILE 3 HD12 ILE 3 0.398 -4.524 5.058
33 HD13 ILE 3 HD13 ILE 3 0.301 -6.288 5.044
34 H LEU 4 HN LEU 4 -1.929 -1.804 2.821
35 HA LEU 4 HA LEU 4 -3.222 -1.560 0.341
36 HB2 LEU 4 HB2 LEU 4 -4.111 -0.914 2.593
37 HB3 LEU 4 HB1 LEU 4 -3.071 0.495 2.567
38 HG LEU 4 HG LEU 4 -5.111 0.099 0.389
39 HD11 LEU 4 HD11 LEU 4 -6.565 1.600 1.897
40 HD12 LEU 4 HD12 LEU 4 -5.560 1.003 3.217
41 HD13 LEU 4 HD13 LEU 4 -6.517 -0.127 2.256
42 HD21 LEU 4 HD21 LEU 4 -3.918 2.535 1.720
43 HD22 LEU 4 HD22 LEU 4 -5.056 2.552 0.378
44 HD23 LEU 4 HD23 LEU 4 -3.440 1.890 0.148
45 H HIS 5 HN HIS 5 -0.958 0.652 2.011
46 HA HIS 5 HA HIS 5 -0.590 2.515 -0.029
47 HB2 HIS 5 HB2 HIS 5 0.558 1.910 2.586
48 HB3 HIS 5 HB1 HIS 5 1.710 2.646 1.478
49 HD1 HIS 5 HD1 HIS 5 0.813 4.966 0.356
50 HD2 HIS 5 HD2 HIS 5 -1.082 3.655 3.817
51 HE1 HIS 5 HE1 HIS 5 -0.463 6.943 1.216
52 HE2 HIS 5 HE2 HIS 5 -1.549 6.152 3.357
53 HN MK8 6 HN MK8 6 1.584 -0.187 0.998
54 HB MK8 6 HB11 MK8 6 4.315 -2.163 -0.272
55 HBA MK8 6 HB12 MK8 6 2.648 -2.652 -0.073
56 HD MK8 6 HD11 MK8 6 4.717 -2.688 3.142
57 HDA MK8 6 HD12 MK8 6 4.788 -3.425 1.567
58 HE MK8 6 HE1 MK8 6 2.802 -4.811 1.991
59 HG MK8 6 HG11 MK8 6 2.542 -1.594 2.115
60 HGA MK8 6 HG12 MK8 6 4.157 -0.923 1.895
61 HB1 MK8 6 HB21 MK8 6 4.768 0.274 0.042
62 HB1A MK8 6 HB22 MK8 6 3.776 1.400 -0.892
63 HB1B MK8 6 HB23 MK8 6 4.654 0.110 -1.709
64 H LEU 7 HN LEU 7 0.431 -0.745 -1.411
65 HA LEU 7 HA LEU 7 0.825 -2.227 -3.881
66 HB2 LEU 7 HB2 LEU 7 -1.028 -2.688 -2.210
67 HB3 LEU 7 HB1 LEU 7 -1.782 -1.196 -2.719
68 HG LEU 7 HG LEU 7 -1.683 -2.295 -5.100
69 HD11 LEU 7 HD11 LEU 7 -0.673 -4.324 -5.013
70 HD12 LEU 7 HD12 LEU 7 -2.279 -4.850 -4.503
71 HD13 LEU 7 HD13 LEU 7 -1.039 -4.533 -3.297
72 HD21 LEU 7 HD21 LEU 7 -3.608 -2.023 -3.111
73 HD22 LEU 7 HD22 LEU 7 -3.777 -3.679 -3.687
74 HD23 LEU 7 HD23 LEU 7 -3.892 -2.339 -4.826
75 H LEU 8 HN LEU 8 -0.338 0.976 -2.838
76 HA LEU 8 HA LEU 8 -1.026 1.990 -5.432
77 HB2 LEU 8 HB2 LEU 8 -0.773 3.132 -2.666
78 HB3 LEU 8 HB1 LEU 8 -0.978 4.202 -4.020
79 HG LEU 8 HG LEU 8 -3.038 3.856 -2.758
80 HD11 LEU 8 HD11 LEU 8 -2.884 3.301 -5.608
81 HD12 LEU 8 HD12 LEU 8 -3.752 4.545 -4.720
82 HD13 LEU 8 HD13 LEU 8 -4.425 2.920 -4.835
83 HD21 LEU 8 HD21 LEU 8 -2.876 0.962 -3.516
84 HD22 LEU 8 HD22 LEU 8 -4.388 1.737 -3.047
85 HD23 LEU 8 HD23 LEU 8 -3.043 1.675 -1.912
86 H GLN 9 HN GLN 9 1.732 2.272 -3.279
87 HA GLN 9 HA GLN 9 3.172 4.305 -4.709
88 HB2 GLN 9 HB2 GLN 9 4.153 2.363 -2.594
89 HB3 GLN 9 HB1 GLN 9 5.007 3.795 -3.143
90 HG2 GLN 9 HG2 GLN 9 3.207 5.206 -2.263
91 HG3 GLN 9 HG1 GLN 9 2.365 3.763 -1.702
92 HE21 GLN 9 HE21 GLN 9 4.139 6.248 -0.683
93 HE22 GLN 9 HE22 GLN 9 4.950 5.553 0.675
94 H ASP 10 HN ASP 10 3.181 0.786 -4.652
95 HA ASP 10 HA ASP 10 5.547 0.314 -6.170
96 HB2 ASP 10 HB2 ASP 10 4.446 -1.359 -4.675
97 HB3 ASP 10 HB1 ASP 10 3.142 -1.483 -5.851
98 H SER 11 HN SER 11 2.094 0.490 -6.934
99 HA SER 11 HA SER 11 2.154 -0.134 -9.658
100 HB2 SER 11 HB2 SER 11 -0.051 0.961 -9.746
101 HB3 SER 11 HB1 SER 11 0.076 -0.128 -8.395
102 HG SER 11 HG SER 11 -0.802 1.701 -7.588
103 HN1 NH2 12 HN1 NH2 12 2.080 2.992 -8.031
104 HN2 NH2 12 HN2 NH2 12 2.681 3.890 -9.318
Start of MODEL 4
1 H1 ACE 0 H1 ACE 0 -2.742 -4.443 8.840
2 H2 ACE 0 H2 ACE 0 -3.782 -3.215 9.560
3 H3 ACE 0 H3 ACE 0 -2.075 -2.867 9.260
4 H HIS 1 HN HIS 1 -2.432 -1.086 7.947
5 HA HIS 1 HA HIS 1 -3.781 -1.519 5.381
6 HB2 HIS 1 HB2 HIS 1 -3.998 0.947 5.257
7 HB3 HIS 1 HB1 HIS 1 -4.855 0.231 6.606
8 HD1 HIS 1 HD1 HIS 1 -3.464 0.462 8.997
9 HD2 HIS 1 HD2 HIS 1 -2.492 3.065 5.911
10 HE1 HIS 1 HE1 HIS 1 -2.257 2.372 10.087
11 HE2 HIS 1 HE2 HIS 1 -1.653 3.935 8.205
12 HN MK8 2 HN MK8 2 -0.699 -1.396 6.695
13 HB MK8 2 HB11 MK8 2 1.564 -1.326 7.121
14 HBA MK8 2 HB12 MK8 2 2.750 -1.121 5.863
15 HD MK8 2 HD11 MK8 2 3.917 -3.617 5.207
16 HDA MK8 2 HD12 MK8 2 2.948 -2.566 4.208
17 HE MK8 2 HE1 MK8 2 2.056 -5.462 4.371
18 HG MK8 2 HG11 MK8 2 1.085 -3.594 5.910
19 HGA MK8 2 HG12 MK8 2 2.511 -3.430 6.926
20 HB1 MK8 2 HB21 MK8 2 0.257 1.213 4.811
21 HB1A MK8 2 HB22 MK8 2 1.963 0.806 4.595
22 HB1B MK8 2 HB23 MK8 2 1.296 0.929 6.215
23 H ILE 3 HN ILE 3 -0.567 -2.861 4.334
24 HA ILE 3 HA ILE 3 0.675 -3.625 1.914
25 HB ILE 3 HB ILE 3 -2.238 -4.288 2.312
26 HG12 ILE 3 HG12 ILE 3 -1.480 -6.353 3.660
27 HG13 ILE 3 HG11 ILE 3 -0.042 -5.432 4.033
28 HG21 ILE 3 HG21 ILE 3 -1.020 -5.095 0.354
29 HG22 ILE 3 HG22 ILE 3 -1.621 -6.424 1.347
30 HG23 ILE 3 HG23 ILE 3 0.091 -5.979 1.402
31 HD11 ILE 3 HD11 ILE 3 -2.754 -5.217 5.082
32 HD12 ILE 3 HD12 ILE 3 -1.987 -3.672 4.698
33 HD13 ILE 3 HD13 ILE 3 -1.215 -4.788 5.821
34 H LEU 4 HN LEU 4 -2.265 -1.796 2.634
35 HA LEU 4 HA LEU 4 -3.329 -1.309 0.122
36 HB2 LEU 4 HB2 LEU 4 -4.407 -0.831 2.302
37 HB3 LEU 4 HB1 LEU 4 -3.293 0.485 2.574
38 HG LEU 4 HG LEU 4 -5.193 0.577 0.231
39 HD11 LEU 4 HD11 LEU 4 -6.810 0.323 1.818
40 HD12 LEU 4 HD12 LEU 4 -6.503 2.052 1.982
41 HD13 LEU 4 HD13 LEU 4 -5.778 0.914 3.120
42 HD21 LEU 4 HD21 LEU 4 -4.658 3.009 1.705
43 HD22 LEU 4 HD22 LEU 4 -4.397 2.657 -0.005
44 HD23 LEU 4 HD23 LEU 4 -3.170 2.235 1.180
45 H HIS 5 HN HIS 5 -0.864 0.501 1.918
46 HA HIS 5 HA HIS 5 -0.443 2.562 -0.001
47 HB2 HIS 5 HB2 HIS 5 0.573 1.821 2.625
48 HB3 HIS 5 HB1 HIS 5 1.774 2.587 1.595
49 HD1 HIS 5 HD1 HIS 5 1.004 4.983 0.598
50 HD2 HIS 5 HD2 HIS 5 -1.172 3.535 3.823
51 HE1 HIS 5 HE1 HIS 5 -0.240 6.964 1.504
52 HE2 HIS 5 HE2 HIS 5 -1.667 6.027 3.377
53 HN MK8 6 HN MK8 6 1.766 -0.168 1.026
54 HB MK8 6 HB11 MK8 6 4.228 -1.290 0.920
55 HBA MK8 6 HB12 MK8 6 4.288 -2.271 -0.529
56 HD MK8 6 HD11 MK8 6 4.179 -3.150 2.175
57 HDA MK8 6 HD12 MK8 6 4.064 -4.315 0.881
58 HE MK8 6 HE1 MK8 6 2.446 -5.671 2.058
59 HG MK8 6 HG11 MK8 6 2.147 -3.245 -0.028
60 HGA MK8 6 HG12 MK8 6 1.976 -2.210 1.396
61 HB1 MK8 6 HB21 MK8 6 4.684 0.663 0.008
62 HB1A MK8 6 HB22 MK8 6 3.827 1.331 -1.382
63 HB1B MK8 6 HB23 MK8 6 4.914 -0.039 -1.596
64 H LEU 7 HN LEU 7 0.589 -0.598 -1.440
65 HA LEU 7 HA LEU 7 0.914 -2.207 -3.862
66 HB2 LEU 7 HB2 LEU 7 -0.926 -2.613 -2.152
67 HB3 LEU 7 HB1 LEU 7 -1.654 -1.119 -2.695
68 HG LEU 7 HG LEU 7 -1.611 -2.258 -5.052
69 HD11 LEU 7 HD11 LEU 7 -1.967 -4.794 -3.517
70 HD12 LEU 7 HD12 LEU 7 -0.340 -4.257 -3.931
71 HD13 LEU 7 HD13 LEU 7 -1.518 -4.547 -5.209
72 HD21 LEU 7 HD21 LEU 7 -3.527 -2.775 -2.816
73 HD22 LEU 7 HD22 LEU 7 -3.826 -3.388 -4.446
74 HD23 LEU 7 HD23 LEU 7 -3.661 -1.658 -4.172
75 H LEU 8 HN LEU 8 -0.179 1.018 -2.813
76 HA LEU 8 HA LEU 8 -0.926 1.982 -5.384
77 HB2 LEU 8 HB2 LEU 8 -0.755 3.047 -2.606
78 HB3 LEU 8 HB1 LEU 8 -0.711 4.212 -3.892
79 HG LEU 8 HG LEU 8 -2.894 3.996 -2.838
80 HD11 LEU 8 HD11 LEU 8 -3.936 4.621 -4.681
81 HD12 LEU 8 HD12 LEU 8 -3.674 3.069 -5.475
82 HD13 LEU 8 HD13 LEU 8 -2.403 4.296 -5.486
83 HD21 LEU 8 HD21 LEU 8 -3.771 2.060 -2.252
84 HD22 LEU 8 HD22 LEU 8 -2.678 1.161 -3.301
85 HD23 LEU 8 HD23 LEU 8 -4.181 1.819 -3.950
86 H GLN 9 HN GLN 9 1.873 2.482 -3.245
87 HA GLN 9 HA GLN 9 3.169 4.433 -4.901
88 HB2 GLN 9 HB2 GLN 9 4.238 2.772 -2.627
89 HB3 GLN 9 HB1 GLN 9 5.109 4.086 -3.405
90 HG2 GLN 9 HG2 GLN 9 2.870 5.393 -2.793
91 HG3 GLN 9 HG1 GLN 9 2.804 4.146 -1.551
92 HE21 GLN 9 HE21 GLN 9 3.485 4.976 0.290
93 HE22 GLN 9 HE22 GLN 9 4.890 5.941 0.506
94 H ASP 10 HN ASP 10 3.237 0.949 -4.655
95 HA ASP 10 HA ASP 10 5.613 0.480 -6.169
96 HB2 ASP 10 HB2 ASP 10 4.541 -1.122 -4.544
97 HB3 ASP 10 HB1 ASP 10 3.276 -1.389 -5.727
98 H SER 11 HN SER 11 2.144 0.275 -6.830
99 HA SER 11 HA SER 11 2.141 -0.415 -9.532
100 HB2 SER 11 HB2 SER 11 0.140 1.188 -7.923
101 HB3 SER 11 HB1 SER 11 -0.170 0.594 -9.542
102 HG SER 11 HG SER 11 -0.947 -0.883 -8.053
103 HN1 NH2 12 HN1 NH2 12 2.672 2.654 -8.038
104 HN2 NH2 12 HN2 NH2 12 2.853 3.585 -9.506
Start of MODEL 5
1 H1 ACE 0 H1 ACE 0 -1.370 -4.154 8.631
2 H2 ACE 0 H2 ACE 0 -2.952 -4.119 9.412
3 H3 ACE 0 H3 ACE 0 -1.805 -2.809 9.681
4 H HIS 1 HN HIS 1 -1.777 -1.094 8.329
5 HA HIS 1 HA HIS 1 -3.731 -1.015 6.133
6 HB2 HIS 1 HB2 HIS 1 -3.657 0.655 8.160
7 HB3 HIS 1 HB1 HIS 1 -2.347 1.393 7.269
8 HD1 HIS 1 HD1 HIS 1 -6.036 0.588 6.788
9 HD2 HIS 1 HD2 HIS 1 -3.108 3.197 5.431
10 HE1 HIS 1 HE1 HIS 1 -7.251 2.292 5.393
11 HE2 HIS 1 HE2 HIS 1 -5.453 3.910 4.643
12 HN MK8 2 HN MK8 2 -0.289 -0.669 6.878
13 HB MK8 2 HB11 MK8 2 2.058 -0.145 6.748
14 HBA MK8 2 HB12 MK8 2 2.877 -0.183 5.211
15 HD MK8 2 HD11 MK8 2 4.143 -2.537 4.815
16 HDA MK8 2 HD12 MK8 2 2.743 -2.081 3.897
17 HE MK8 2 HE1 MK8 2 2.538 -4.819 5.171
18 HG MK8 2 HG11 MK8 2 1.554 -2.666 6.222
19 HGA MK8 2 HG12 MK8 2 3.139 -2.171 6.802
20 HB1 MK8 2 HB21 MK8 2 0.019 1.649 4.223
21 HB1A MK8 2 HB22 MK8 2 1.769 1.495 4.272
22 HB1B MK8 2 HB23 MK8 2 0.878 1.801 5.762
23 H ILE 3 HN ILE 3 -0.419 -2.498 4.721
24 HA ILE 3 HA ILE 3 0.571 -3.624 2.457
25 HB ILE 3 HB ILE 3 -2.298 -4.176 2.724
26 HG12 ILE 3 HG12 ILE 3 -2.022 -3.949 5.109
27 HG13 ILE 3 HG11 ILE 3 -2.111 -5.643 4.728
28 HG21 ILE 3 HG21 ILE 3 -1.702 -6.394 2.313
29 HG22 ILE 3 HG22 ILE 3 -0.022 -6.106 2.769
30 HG23 ILE 3 HG23 ILE 3 -0.675 -5.380 1.295
31 HD11 ILE 3 HD11 ILE 3 -0.550 -5.224 6.545
32 HD12 ILE 3 HD12 ILE 3 0.402 -4.165 5.510
33 HD13 ILE 3 HD13 ILE 3 0.288 -5.885 5.144
34 H LEU 4 HN LEU 4 -2.597 -1.941 2.514
35 HA LEU 4 HA LEU 4 -3.135 -2.035 -0.216
36 HB2 LEU 4 HB2 LEU 4 -4.763 -0.227 0.160
37 HB3 LEU 4 HB1 LEU 4 -4.876 -1.494 1.357
38 HG LEU 4 HG LEU 4 -3.486 0.108 2.848
39 HD11 LEU 4 HD11 LEU 4 -2.817 1.902 1.629
40 HD12 LEU 4 HD12 LEU 4 -4.369 2.516 2.197
41 HD13 LEU 4 HD13 LEU 4 -4.222 1.846 0.572
42 HD21 LEU 4 HD21 LEU 4 -5.810 1.442 3.070
43 HD22 LEU 4 HD22 LEU 4 -5.526 -0.170 3.721
44 HD23 LEU 4 HD23 LEU 4 -6.323 0.021 2.160
45 H HIS 5 HN HIS 5 -1.187 0.148 1.654
46 HA HIS 5 HA HIS 5 -0.751 2.189 -0.273
47 HB2 HIS 5 HB2 HIS 5 0.051 1.558 2.424
48 HB3 HIS 5 HB1 HIS 5 1.395 2.199 1.499
49 HD1 HIS 5 HD1 HIS 5 0.759 4.569 0.208
50 HD2 HIS 5 HD2 HIS 5 -1.571 3.428 3.460
51 HE1 HIS 5 HE1 HIS 5 -0.388 6.654 0.985
52 HE2 HIS 5 HE2 HIS 5 -1.880 5.922 2.877
53 HN MK8 6 HN MK8 6 1.025 -0.781 0.671
54 HB MK8 6 HB11 MK8 6 3.732 -2.870 -0.524
55 HBA MK8 6 HB12 MK8 6 2.014 -3.161 -0.646
56 HD MK8 6 HD11 MK8 6 4.345 -3.985 1.689
57 HDA MK8 6 HD12 MK8 6 2.973 -4.784 0.968
58 HE MK8 6 HE1 MK8 6 2.674 -5.800 3.066
59 HG MK8 6 HG11 MK8 6 1.640 -2.689 1.629
60 HGA MK8 6 HG12 MK8 6 3.228 -1.941 1.825
61 HB1 MK8 6 HB21 MK8 6 4.607 -0.633 -1.349
62 HB1A MK8 6 HB22 MK8 6 4.288 -0.470 0.376
63 HB1B MK8 6 HB23 MK8 6 3.719 0.767 -0.744
64 H LEU 7 HN LEU 7 0.219 -1.181 -1.788
65 HA LEU 7 HA LEU 7 0.812 -2.226 -4.406
66 HB2 LEU 7 HB2 LEU 7 -1.197 -2.811 -2.956
67 HB3 LEU 7 HB1 LEU 7 -1.851 -1.246 -3.384
68 HG LEU 7 HG LEU 7 -1.537 -2.101 -5.841
69 HD11 LEU 7 HD11 LEU 7 -0.432 -4.238 -4.827
70 HD12 LEU 7 HD12 LEU 7 -1.512 -4.375 -6.215
71 HD13 LEU 7 HD13 LEU 7 -2.104 -4.750 -4.596
72 HD21 LEU 7 HD21 LEU 7 -3.786 -2.531 -5.904
73 HD22 LEU 7 HD22 LEU 7 -3.648 -1.653 -4.380
74 HD23 LEU 7 HD23 LEU 7 -3.774 -3.414 -4.377
75 H LEU 8 HN LEU 8 -0.381 0.860 -3.070
76 HA LEU 8 HA LEU 8 -0.861 2.138 -5.564
77 HB2 LEU 8 HB2 LEU 8 -0.538 3.462 -2.865
78 HB3 LEU 8 HB1 LEU 8 -1.318 4.136 -4.283
79 HG LEU 8 HG LEU 8 -2.394 1.666 -2.925
80 HD11 LEU 8 HD11 LEU 8 -3.873 3.099 -1.640
81 HD12 LEU 8 HD12 LEU 8 -3.043 4.525 -2.253
82 HD13 LEU 8 HD13 LEU 8 -2.185 3.382 -1.211
83 HD21 LEU 8 HD21 LEU 8 -4.359 2.037 -4.079
84 HD22 LEU 8 HD22 LEU 8 -3.180 2.614 -5.257
85 HD23 LEU 8 HD23 LEU 8 -4.057 3.768 -4.254
86 H GLN 9 HN GLN 9 1.759 2.073 -3.257
87 HA GLN 9 HA GLN 9 3.307 4.193 -4.339
88 HB2 GLN 9 HB2 GLN 9 4.057 1.966 -2.432
89 HB3 GLN 9 HB1 GLN 9 5.069 3.357 -2.798
90 HG2 GLN 9 HG2 GLN 9 3.370 4.854 -1.879
91 HG3 GLN 9 HG1 GLN 9 2.339 3.460 -1.543
92 HE21 GLN 9 HE21 GLN 9 4.422 5.574 -0.173
93 HE22 GLN 9 HE22 GLN 9 4.931 4.646 1.187
94 H ASP 10 HN ASP 10 3.323 0.655 -4.660
95 HA ASP 10 HA ASP 10 5.722 0.386 -6.171
96 HB2 ASP 10 HB2 ASP 10 4.608 -1.438 -4.852
97 HB3 ASP 10 HB1 ASP 10 3.356 -1.489 -6.088
98 H SER 11 HN SER 11 2.283 0.599 -6.939
99 HA SER 11 HA SER 11 2.359 0.214 -9.722
100 HB2 SER 11 HB2 SER 11 0.372 1.682 -7.964
101 HB3 SER 11 HB1 SER 11 0.124 1.390 -9.683
102 HG SER 11 HG SER 11 -0.377 -0.584 -9.246
103 HN1 NH2 12 HN1 NH2 12 2.878 3.038 -7.769
104 HN2 NH2 12 HN2 NH2 12 3.255 4.115 -9.040
Start of MODEL 6
1 H1 ACE 0 H1 ACE 0 -1.516 -3.032 8.990
2 H2 ACE 0 H2 ACE 0 -3.060 -3.880 9.033
3 H3 ACE 0 H3 ACE 0 -2.958 -2.206 9.580
4 H HIS 1 HN HIS 1 -2.706 -0.521 8.088
5 HA HIS 1 HA HIS 1 -3.828 -1.022 5.467
6 HB2 HIS 1 HB2 HIS 1 -3.994 1.449 5.276
7 HB3 HIS 1 HB1 HIS 1 -4.839 0.785 6.667
8 HD1 HIS 1 HD1 HIS 1 -3.323 1.070 9.017
9 HD2 HIS 1 HD2 HIS 1 -2.504 3.552 5.794
10 HE1 HIS 1 HE1 HIS 1 -2.064 3.020 9.974
11 HE2 HIS 1 HE2 HIS 1 -1.596 4.534 8.006
12 HN MK8 2 HN MK8 2 -0.798 -1.091 6.691
13 HB MK8 2 HB11 MK8 2 1.017 -2.347 6.476
14 HBA MK8 2 HB12 MK8 2 1.755 -0.868 7.004
15 HD MK8 2 HD11 MK8 2 2.073 -3.102 4.113
16 HDA MK8 2 HD12 MK8 2 2.370 -4.001 5.570
17 HE MK8 2 HE1 MK8 2 4.390 -4.844 4.784
18 HG MK8 2 HG11 MK8 2 3.578 -2.170 6.512
19 HGA MK8 2 HG12 MK8 2 3.404 -1.247 5.027
20 HB1 MK8 2 HB21 MK8 2 0.463 1.417 4.624
21 HB1A MK8 2 HB22 MK8 2 2.120 0.826 4.683
22 HB1B MK8 2 HB23 MK8 2 1.243 1.129 6.180
23 H ILE 3 HN ILE 3 -0.070 -3.049 4.601
24 HA ILE 3 HA ILE 3 0.999 -3.681 2.163
25 HB ILE 3 HB ILE 3 -1.725 -4.854 2.832
26 HG12 ILE 3 HG12 ILE 3 -0.340 -6.674 4.115
27 HG13 ILE 3 HG11 ILE 3 0.887 -5.429 4.261
28 HG21 ILE 3 HG21 ILE 3 0.581 -6.535 2.010
29 HG22 ILE 3 HG22 ILE 3 -0.005 -5.383 0.810
30 HG23 ILE 3 HG23 ILE 3 -1.106 -6.583 1.483
31 HD11 ILE 3 HD11 ILE 3 -1.773 -5.630 5.564
32 HD12 ILE 3 HD12 ILE 3 -1.079 -4.031 5.261
33 HD13 ILE 3 HD13 ILE 3 -0.203 -5.197 6.242
34 H LEU 4 HN LEU 4 -1.993 -1.972 2.843
35 HA LEU 4 HA LEU 4 -3.236 -1.897 0.325
36 HB2 LEU 4 HB2 LEU 4 -4.311 -1.300 2.488
37 HB3 LEU 4 HB1 LEU 4 -3.282 0.107 2.615
38 HG LEU 4 HG LEU 4 -5.204 -0.165 0.316
39 HD11 LEU 4 HD11 LEU 4 -6.926 -0.107 1.710
40 HD12 LEU 4 HD12 LEU 4 -6.352 1.459 2.285
41 HD13 LEU 4 HD13 LEU 4 -5.865 -0.022 3.112
42 HD21 LEU 4 HD21 LEU 4 -5.222 2.362 0.725
43 HD22 LEU 4 HD22 LEU 4 -3.763 1.664 0.027
44 HD23 LEU 4 HD23 LEU 4 -3.802 2.096 1.733
45 H HIS 5 HN HIS 5 -0.964 0.336 1.906
46 HA HIS 5 HA HIS 5 -0.704 2.221 -0.190
47 HB2 HIS 5 HB2 HIS 5 0.316 1.787 2.473
48 HB3 HIS 5 HB1 HIS 5 1.564 2.423 1.418
49 HD1 HIS 5 HD1 HIS 5 0.865 4.696 0.109
50 HD2 HIS 5 HD2 HIS 5 -1.454 3.644 3.413
51 HE1 HIS 5 HE1 HIS 5 -0.330 6.798 0.800
52 HE2 HIS 5 HE2 HIS 5 -1.759 6.124 2.768
53 HN MK8 6 HN MK8 6 1.301 -0.546 0.822
54 HB MK8 6 HB11 MK8 6 3.983 -2.629 -0.418
55 HBA MK8 6 HB12 MK8 6 2.283 -2.995 -0.480
56 HD MK8 6 HD11 MK8 6 4.564 -1.587 2.565
57 HDA MK8 6 HD12 MK8 6 5.054 -2.619 1.242
58 HE MK8 6 HE1 MK8 6 5.485 -4.325 2.803
59 HG MK8 6 HG11 MK8 6 2.396 -3.293 1.722
60 HGA MK8 6 HG12 MK8 6 2.477 -1.531 1.846
61 HB1 MK8 6 HB21 MK8 6 4.264 0.245 -1.704
62 HB1A MK8 6 HB22 MK8 6 4.811 -0.654 -0.293
63 HB1B MK8 6 HB23 MK8 6 3.857 0.817 -0.081
64 H LEU 7 HN LEU 7 0.317 -0.988 -1.635
65 HA LEU 7 HA LEU 7 0.786 -2.191 -4.224
66 HB2 LEU 7 HB2 LEU 7 -1.197 -2.673 -2.682
67 HB3 LEU 7 HB1 LEU 7 -1.828 -1.117 -3.176
68 HG LEU 7 HG LEU 7 -1.692 -2.061 -5.577
69 HD11 LEU 7 HD11 LEU 7 -2.042 -4.724 -4.269
70 HD12 LEU 7 HD12 LEU 7 -0.415 -4.158 -4.652
71 HD13 LEU 7 HD13 LEU 7 -1.618 -4.345 -5.934
72 HD21 LEU 7 HD21 LEU 7 -3.692 -2.906 -3.506
73 HD22 LEU 7 HD22 LEU 7 -3.909 -3.222 -5.226
74 HD23 LEU 7 HD23 LEU 7 -3.794 -1.565 -4.645
75 H LEU 8 HN LEU 8 -0.292 0.956 -2.966
76 HA LEU 8 HA LEU 8 -0.858 2.180 -5.486
77 HB2 LEU 8 HB2 LEU 8 -0.429 3.543 -2.834
78 HB3 LEU 8 HB1 LEU 8 -1.273 4.190 -4.214
79 HG LEU 8 HG LEU 8 -2.269 1.790 -2.640
80 HD11 LEU 8 HD11 LEU 8 -2.549 4.719 -2.156
81 HD12 LEU 8 HD12 LEU 8 -2.344 3.397 -1.007
82 HD13 LEU 8 HD13 LEU 8 -3.902 3.656 -1.783
83 HD21 LEU 8 HD21 LEU 8 -4.515 2.619 -3.547
84 HD22 LEU 8 HD22 LEU 8 -3.425 1.825 -4.681
85 HD23 LEU 8 HD23 LEU 8 -3.571 3.579 -4.688
86 H GLN 9 HN GLN 9 1.863 2.175 -3.241
87 HA GLN 9 HA GLN 9 3.357 4.273 -4.464
88 HB2 GLN 9 HB2 GLN 9 4.220 2.125 -2.498
89 HB3 GLN 9 HB1 GLN 9 5.211 3.505 -2.969
90 HG2 GLN 9 HG2 GLN 9 3.567 5.018 -2.021
91 HG3 GLN 9 HG1 GLN 9 2.541 3.663 -1.585
92 HE21 GLN 9 HE21 GLN 9 4.551 5.840 -0.328
93 HE22 GLN 9 HE22 GLN 9 5.227 4.967 0.991
94 H ASP 10 HN ASP 10 3.334 0.750 -4.642
95 HA ASP 10 HA ASP 10 5.657 0.393 -6.243
96 HB2 ASP 10 HB2 ASP 10 4.634 -1.404 -4.835
97 HB3 ASP 10 HB1 ASP 10 3.312 -1.502 -5.983
98 H SER 11 HN SER 11 2.173 0.482 -6.931
99 HA SER 11 HA SER 11 2.202 0.066 -9.708
100 HB2 SER 11 HB2 SER 11 0.177 1.460 -7.920
101 HB3 SER 11 HB1 SER 11 -0.098 1.068 -9.613
102 HG SER 11 HG SER 11 -0.902 -0.621 -8.513
103 HN1 NH2 12 HN1 NH2 12 2.596 2.960 -7.758
104 HN2 NH2 12 HN2 NH2 12 2.892 4.043 -9.059
Start of MODEL 7
1 H1 ACE 0 H1 ACE 0 -1.634 -3.252 8.975
2 H2 ACE 0 H2 ACE 0 -2.558 -4.676 8.481
3 H3 ACE 0 H3 ACE 0 -3.304 -3.453 9.508
4 H HIS 1 HN HIS 1 -2.170 -1.213 8.121
5 HA HIS 1 HA HIS 1 -3.890 -1.129 5.719
6 HB2 HIS 1 HB2 HIS 1 -4.097 0.508 7.759
7 HB3 HIS 1 HB1 HIS 1 -2.715 1.307 7.023
8 HD1 HIS 1 HD1 HIS 1 -6.303 0.405 6.244
9 HD2 HIS 1 HD2 HIS 1 -3.311 2.954 4.953
10 HE1 HIS 1 HE1 HIS 1 -7.411 1.964 4.601
11 HE2 HIS 1 HE2 HIS 1 -5.583 3.525 3.885
12 HN MK8 2 HN MK8 2 -0.559 -0.775 6.833
13 HB MK8 2 HB11 MK8 2 1.681 -0.446 7.032
14 HBA MK8 2 HB12 MK8 2 2.738 -0.126 5.690
15 HD MK8 2 HD11 MK8 2 4.155 -2.091 4.812
16 HDA MK8 2 HD12 MK8 2 2.657 -2.139 3.933
17 HE MK8 2 HE1 MK8 2 3.539 -4.700 5.280
18 HG MK8 2 HG11 MK8 2 1.584 -2.854 6.164
19 HGA MK8 2 HG12 MK8 2 3.083 -2.298 6.891
20 HB1 MK8 2 HB21 MK8 2 0.486 1.695 5.940
21 HB1A MK8 2 HB22 MK8 2 0.165 1.597 4.207
22 HB1B MK8 2 HB23 MK8 2 1.819 1.488 4.808
23 H ILE 3 HN ILE 3 -0.223 -2.641 4.638
24 HA ILE 3 HA ILE 3 0.941 -3.457 2.270
25 HB ILE 3 HB ILE 3 -1.861 -4.434 2.850
26 HG12 ILE 3 HG12 ILE 3 -0.712 -6.249 4.303
27 HG13 ILE 3 HG11 ILE 3 0.578 -5.081 4.502
28 HG21 ILE 3 HG21 ILE 3 -0.097 -6.567 2.387
29 HG22 ILE 3 HG22 ILE 3 0.388 -5.295 1.268
30 HG23 ILE 3 HG23 ILE 3 -1.274 -5.890 1.258
31 HD11 ILE 3 HD11 ILE 3 -0.708 -4.780 6.383
32 HD12 ILE 3 HD12 ILE 3 -2.223 -4.966 5.504
33 HD13 ILE 3 HD13 ILE 3 -1.262 -3.499 5.313
34 H LEU 4 HN LEU 4 -2.219 -1.939 2.761
35 HA LEU 4 HA LEU 4 -3.300 -1.811 0.200
36 HB2 LEU 4 HB2 LEU 4 -4.366 -1.259 2.368
37 HB3 LEU 4 HB1 LEU 4 -3.431 0.213 2.433
38 HG LEU 4 HG LEU 4 -5.352 -0.238 0.163
39 HD11 LEU 4 HD11 LEU 4 -5.951 0.663 2.963
40 HD12 LEU 4 HD12 LEU 4 -6.679 -0.686 2.082
41 HD13 LEU 4 HD13 LEU 4 -7.007 0.976 1.589
42 HD21 LEU 4 HD21 LEU 4 -5.453 2.194 0.196
43 HD22 LEU 4 HD22 LEU 4 -3.769 1.673 0.079
44 HD23 LEU 4 HD23 LEU 4 -4.413 2.239 1.624
45 H HIS 5 HN HIS 5 -0.938 0.165 1.799
46 HA HIS 5 HA HIS 5 -0.674 2.222 -0.171
47 HB2 HIS 5 HB2 HIS 5 0.285 1.651 2.495
48 HB3 HIS 5 HB1 HIS 5 1.521 2.372 1.473
49 HD1 HIS 5 HD1 HIS 5 0.821 4.733 0.358
50 HD2 HIS 5 HD2 HIS 5 -1.616 3.380 3.456
51 HE1 HIS 5 HE1 HIS 5 -0.499 6.738 1.102
52 HE2 HIS 5 HE2 HIS 5 -1.866 5.930 3.060
53 HN MK8 6 HN MK8 6 1.240 -0.659 0.785
54 HB MK8 6 HB11 MK8 6 3.957 -2.683 -0.497
55 HBA MK8 6 HB12 MK8 6 2.245 -3.051 -0.485
56 HD MK8 6 HD11 MK8 6 4.195 -4.253 1.195
57 HDA MK8 6 HD12 MK8 6 2.493 -4.524 1.294
58 HE MK8 6 HE1 MK8 6 3.618 -5.681 3.202
59 HG MK8 6 HG11 MK8 6 2.086 -2.219 1.847
60 HGA MK8 6 HG12 MK8 6 3.824 -1.896 1.825
61 HB1 MK8 6 HB21 MK8 6 4.276 0.101 0.314
62 HB1A MK8 6 HB22 MK8 6 3.862 0.802 -1.256
63 HB1B MK8 6 HB23 MK8 6 4.807 -0.679 -1.176
64 H LEU 7 HN LEU 7 0.313 -1.008 -1.615
65 HA LEU 7 HA LEU 7 0.766 -2.200 -4.217
66 HB2 LEU 7 HB2 LEU 7 -1.210 -2.737 -2.669
67 HB3 LEU 7 HB1 LEU 7 -1.843 -1.169 -3.109
68 HG LEU 7 HG LEU 7 -1.683 -2.070 -5.561
69 HD11 LEU 7 HD11 LEU 7 -0.887 -4.159 -5.744
70 HD12 LEU 7 HD12 LEU 7 -2.394 -4.706 -5.008
71 HD13 LEU 7 HD13 LEU 7 -0.980 -4.417 -4.001
72 HD21 LEU 7 HD21 LEU 7 -3.777 -3.251 -3.782
73 HD22 LEU 7 HD22 LEU 7 -3.917 -2.743 -5.468
74 HD23 LEU 7 HD23 LEU 7 -3.727 -1.538 -4.199
75 H LEU 8 HN LEU 8 -0.211 0.912 -2.906
76 HA LEU 8 HA LEU 8 -0.863 2.169 -5.386
77 HB2 LEU 8 HB2 LEU 8 -0.277 3.523 -2.756
78 HB3 LEU 8 HB1 LEU 8 -1.192 4.181 -4.097
79 HG LEU 8 HG LEU 8 -2.127 1.799 -2.473
80 HD11 LEU 8 HD11 LEU 8 -2.357 4.733 -1.997
81 HD12 LEU 8 HD12 LEU 8 -2.037 3.423 -0.852
82 HD13 LEU 8 HD13 LEU 8 -3.661 3.651 -1.507
83 HD21 LEU 8 HD21 LEU 8 -3.753 3.741 -4.110
84 HD22 LEU 8 HD22 LEU 8 -4.321 2.278 -3.313
85 HD23 LEU 8 HD23 LEU 8 -3.234 2.167 -4.701
86 H GLN 9 HN GLN 9 1.939 2.273 -3.215
87 HA GLN 9 HA GLN 9 3.347 4.304 -4.622
88 HB2 GLN 9 HB2 GLN 9 4.264 2.356 -2.511
89 HB3 GLN 9 HB1 GLN 9 5.281 3.632 -3.166
90 HG2 GLN 9 HG2 GLN 9 3.202 5.117 -2.454
91 HG3 GLN 9 HG1 GLN 9 2.957 3.792 -1.317
92 HE21 GLN 9 HE21 GLN 9 3.664 4.451 0.598
93 HE22 GLN 9 HE22 GLN 9 5.174 5.234 0.899
94 H ASP 10 HN ASP 10 3.288 0.800 -4.681
95 HA ASP 10 HA ASP 10 5.625 0.324 -6.255
96 HB2 ASP 10 HB2 ASP 10 4.479 -1.388 -4.793
97 HB3 ASP 10 HB1 ASP 10 3.197 -1.443 -5.991
98 H SER 11 HN SER 11 2.184 0.573 -6.929
99 HA SER 11 HA SER 11 2.147 0.019 -9.690
100 HB2 SER 11 HB2 SER 11 0.280 1.690 -7.994
101 HB3 SER 11 HB1 SER 11 -0.021 1.281 -9.677
102 HG SER 11 HG SER 11 -0.411 -0.738 -9.144
103 HN1 NH2 12 HN1 NH2 12 2.815 2.999 -7.974
104 HN2 NH2 12 HN2 NH2 12 3.190 3.953 -9.359
Start of MODEL 8
1 H1 ACE 0 H1 ACE 0 -2.208 -3.753 8.060
2 H2 ACE 0 H2 ACE 0 -3.851 -4.364 7.821
3 H3 ACE 0 H3 ACE 0 -3.577 -2.921 8.792
4 H HIS 1 HN HIS 1 -2.882 -0.961 7.792
5 HA HIS 1 HA HIS 1 -3.961 -0.561 5.117
6 HB2 HIS 1 HB2 HIS 1 -4.231 0.981 7.246
7 HB3 HIS 1 HB1 HIS 1 -2.669 1.611 6.745
8 HD1 HIS 1 HD1 HIS 1 -6.184 1.185 5.359
9 HD2 HIS 1 HD2 HIS 1 -2.797 3.548 4.859
10 HE1 HIS 1 HE1 HIS 1 -6.848 2.960 3.702
11 HE2 HIS 1 HE2 HIS 1 -4.780 4.390 3.424
12 HN MK8 2 HN MK8 2 -0.904 -0.958 6.690
13 HB MK8 2 HB11 MK8 2 0.866 -2.320 6.596
14 HBA MK8 2 HB12 MK8 2 1.561 -0.847 7.221
15 HD MK8 2 HD11 MK8 2 2.171 -3.012 4.318
16 HDA MK8 2 HD12 MK8 2 2.376 -3.990 5.751
17 HE MK8 2 HE1 MK8 2 4.875 -4.098 5.301
18 HG MK8 2 HG11 MK8 2 3.414 -2.180 6.906
19 HGA MK8 2 HG12 MK8 2 3.427 -1.199 5.443
20 HB1 MK8 2 HB21 MK8 2 2.232 0.829 5.629
21 HB1A MK8 2 HB22 MK8 2 0.635 1.413 6.097
22 HB1B MK8 2 HB23 MK8 2 1.082 1.319 4.391
23 H ILE 3 HN ILE 3 -0.073 -2.932 4.645
24 HA ILE 3 HA ILE 3 1.217 -3.515 2.276
25 HB ILE 3 HB ILE 3 -1.237 -4.947 2.117
26 HG12 ILE 3 HG12 ILE 3 -1.813 -4.695 4.434
27 HG13 ILE 3 HG11 ILE 3 -1.202 -6.300 4.201
28 HG21 ILE 3 HG21 ILE 3 1.342 -6.125 3.040
29 HG22 ILE 3 HG22 ILE 3 1.118 -5.527 1.396
30 HG23 ILE 3 HG23 ILE 3 0.097 -6.831 2.014
31 HD11 ILE 3 HD11 ILE 3 0.944 -4.680 5.150
32 HD12 ILE 3 HD12 ILE 3 0.167 -6.054 5.933
33 HD13 ILE 3 HD13 ILE 3 -0.463 -4.426 6.183
34 H LEU 4 HN LEU 4 -1.837 -1.931 2.829
35 HA LEU 4 HA LEU 4 -2.972 -1.916 0.249
36 HB2 LEU 4 HB2 LEU 4 -4.088 -1.341 2.405
37 HB3 LEU 4 HB1 LEU 4 -3.196 0.160 2.439
38 HG LEU 4 HG LEU 4 -5.035 -0.468 0.147
39 HD11 LEU 4 HD11 LEU 4 -6.564 -0.774 1.829
40 HD12 LEU 4 HD12 LEU 4 -6.664 0.971 1.593
41 HD13 LEU 4 HD13 LEU 4 -5.734 0.315 2.945
42 HD21 LEU 4 HD21 LEU 4 -5.063 2.234 1.098
43 HD22 LEU 4 HD22 LEU 4 -4.539 1.617 -0.469
44 HD23 LEU 4 HD23 LEU 4 -3.387 1.718 0.866
45 H HIS 5 HN HIS 5 -0.834 0.310 1.979
46 HA HIS 5 HA HIS 5 -0.513 2.305 0.007
47 HB2 HIS 5 HB2 HIS 5 0.490 1.620 2.618
48 HB3 HIS 5 HB1 HIS 5 1.758 2.328 1.620
49 HD1 HIS 5 HD1 HIS 5 0.997 4.682 0.449
50 HD2 HIS 5 HD2 HIS 5 -1.125 3.436 3.807
51 HE1 HIS 5 HE1 HIS 5 -0.154 6.743 1.303
52 HE2 HIS 5 HE2 HIS 5 -1.501 5.973 3.305
53 HN MK8 6 HN MK8 6 1.565 -0.473 0.971
54 HB MK8 6 HB11 MK8 6 4.179 -2.556 -0.439
55 HBA MK8 6 HB12 MK8 6 2.474 -2.906 -0.298
56 HD MK8 6 HD11 MK8 6 4.071 -4.268 1.141
57 HDA MK8 6 HD12 MK8 6 2.645 -4.202 2.133
58 HE MK8 6 HE1 MK8 6 5.422 -4.480 3.054
59 HG MK8 6 HG11 MK8 6 2.453 -1.940 1.974
60 HGA MK8 6 HG12 MK8 6 4.194 -1.695 1.856
61 HB1 MK8 6 HB21 MK8 6 4.173 0.744 0.088
62 HB1A MK8 6 HB22 MK8 6 4.189 0.584 -1.667
63 HB1B MK8 6 HB23 MK8 6 5.044 -0.596 -0.663
64 H LEU 7 HN LEU 7 0.462 -0.966 -1.412
65 HA LEU 7 HA LEU 7 0.793 -2.263 -3.993
66 HB2 LEU 7 HB2 LEU 7 -1.165 -2.340 -2.085
67 HB3 LEU 7 HB1 LEU 7 -1.854 -1.185 -3.183
68 HG LEU 7 HG LEU 7 -2.836 -3.327 -3.545
69 HD11 LEU 7 HD11 LEU 7 -2.109 -1.918 -5.625
70 HD12 LEU 7 HD12 LEU 7 -2.859 -3.503 -5.801
71 HD13 LEU 7 HD13 LEU 7 -1.110 -3.335 -5.959
72 HD21 LEU 7 HD21 LEU 7 -1.682 -5.348 -4.129
73 HD22 LEU 7 HD22 LEU 7 -1.096 -4.713 -2.592
74 HD23 LEU 7 HD23 LEU 7 -0.126 -4.512 -4.046
75 H LEU 8 HN LEU 8 -0.272 0.894 -2.769
76 HA LEU 8 HA LEU 8 -0.970 2.033 -5.314
77 HB2 LEU 8 HB2 LEU 8 -0.438 3.554 -2.762
78 HB3 LEU 8 HB1 LEU 8 -1.393 4.080 -4.123
79 HG LEU 8 HG LEU 8 -2.230 1.712 -2.439
80 HD11 LEU 8 HD11 LEU 8 -3.780 3.505 -1.417
81 HD12 LEU 8 HD12 LEU 8 -2.529 4.633 -1.942
82 HD13 LEU 8 HD13 LEU 8 -2.132 3.335 -0.809
83 HD21 LEU 8 HD21 LEU 8 -3.761 1.636 -4.079
84 HD22 LEU 8 HD22 LEU 8 -3.415 3.275 -4.614
85 HD23 LEU 8 HD23 LEU 8 -4.492 3.007 -3.240
86 H GLN 9 HN GLN 9 1.839 2.176 -3.195
87 HA GLN 9 HA GLN 9 3.276 4.230 -4.558
88 HB2 GLN 9 HB2 GLN 9 4.237 2.134 -2.599
89 HB3 GLN 9 HB1 GLN 9 5.159 3.544 -3.097
90 HG2 GLN 9 HG2 GLN 9 2.492 3.713 -1.710
91 HG3 GLN 9 HG1 GLN 9 4.031 3.699 -0.843
92 HE21 GLN 9 HE21 GLN 9 4.685 5.622 -0.271
93 HE22 GLN 9 HE22 GLN 9 4.418 7.101 -1.124
94 H ASP 10 HN ASP 10 3.146 0.718 -4.686
95 HA ASP 10 HA ASP 10 5.452 0.230 -6.296
96 HB2 ASP 10 HB2 ASP 10 4.232 -1.475 -4.877
97 HB3 ASP 10 HB1 ASP 10 2.991 -1.532 -6.118
98 H SER 11 HN SER 11 1.992 0.602 -6.926
99 HA SER 11 HA SER 11 1.951 0.125 -9.688
100 HB2 SER 11 HB2 SER 11 0.090 1.774 -7.977
101 HB3 SER 11 HB1 SER 11 -0.240 1.303 -9.633
102 HG SER 11 HG SER 11 -0.082 -0.903 -8.929
103 HN1 NH2 12 HN1 NH2 12 2.774 2.944 -7.836
104 HN2 NH2 12 HN2 NH2 12 3.081 4.002 -9.190
Start of MODEL 9
1 H1 ACE 0 H1 ACE 0 -3.205 -2.814 8.874
2 H2 ACE 0 H2 ACE 0 -2.138 -3.900 7.986
3 H3 ACE 0 H3 ACE 0 -3.880 -4.174 7.972
4 H HIS 1 HN HIS 1 -2.890 -0.879 7.856
5 HA HIS 1 HA HIS 1 -3.940 -0.503 5.196
6 HB2 HIS 1 HB2 HIS 1 -4.173 1.070 7.277
7 HB3 HIS 1 HB1 HIS 1 -2.593 1.665 6.768
8 HD1 HIS 1 HD1 HIS 1 -6.081 1.232 5.311
9 HD2 HIS 1 HD2 HIS 1 -2.671 3.551 4.871
10 HE1 HIS 1 HE1 HIS 1 -6.703 3.017 3.663
11 HE2 HIS 1 HE2 HIS 1 -4.674 4.509 3.535
12 HN MK8 2 HN MK8 2 -0.886 -0.926 6.701
13 HB MK8 2 HB11 MK8 2 0.853 -2.357 6.585
14 HBA MK8 2 HB12 MK8 2 1.602 -0.904 7.196
15 HD MK8 2 HD11 MK8 2 2.080 -3.122 4.295
16 HDA MK8 2 HD12 MK8 2 2.334 -4.096 5.716
17 HE MK8 2 HE1 MK8 2 4.794 -4.278 5.171
18 HG MK8 2 HG11 MK8 2 3.386 -2.317 6.879
19 HGA MK8 2 HG12 MK8 2 3.445 -1.320 5.431
20 HB1 MK8 2 HB21 MK8 2 2.204 0.768 5.821
21 HB1A MK8 2 HB22 MK8 2 0.569 1.440 5.829
22 HB1B MK8 2 HB23 MK8 2 1.392 1.150 4.301
23 H ILE 3 HN ILE 3 -0.102 -2.972 4.664
24 HA ILE 3 HA ILE 3 1.119 -3.648 2.263
25 HB ILE 3 HB ILE 3 -1.638 -4.760 2.890
26 HG12 ILE 3 HG12 ILE 3 -0.346 -6.594 4.196
27 HG13 ILE 3 HG11 ILE 3 0.927 -5.399 4.368
28 HG21 ILE 3 HG21 ILE 3 0.669 -5.579 1.274
29 HG22 ILE 3 HG22 ILE 3 -1.043 -5.945 1.075
30 HG23 ILE 3 HG23 ILE 3 -0.070 -6.876 2.217
31 HD11 ILE 3 HD11 ILE 3 -0.876 -5.779 6.226
32 HD12 ILE 3 HD12 ILE 3 -1.832 -4.696 5.211
33 HD13 ILE 3 HD13 ILE 3 -0.281 -4.153 5.857
34 H LEU 4 HN LEU 4 -1.919 -1.967 2.871
35 HA LEU 4 HA LEU 4 -3.069 -1.875 0.319
36 HB2 LEU 4 HB2 LEU 4 -4.145 -1.304 2.500
37 HB3 LEU 4 HB1 LEU 4 -3.220 0.177 2.519
38 HG LEU 4 HG LEU 4 -5.119 -0.373 0.253
39 HD11 LEU 4 HD11 LEU 4 -6.842 0.810 1.538
40 HD12 LEU 4 HD12 LEU 4 -5.790 0.765 2.955
41 HD13 LEU 4 HD13 LEU 4 -6.398 -0.736 2.268
42 HD21 LEU 4 HD21 LEU 4 -4.891 2.325 1.374
43 HD22 LEU 4 HD22 LEU 4 -4.744 1.780 -0.295
44 HD23 LEU 4 HD23 LEU 4 -3.354 1.691 0.781
45 H HIS 5 HN HIS 5 -0.829 0.265 1.987
46 HA HIS 5 HA HIS 5 -0.540 2.261 0.001
47 HB2 HIS 5 HB2 HIS 5 0.536 1.632 2.612
48 HB3 HIS 5 HB1 HIS 5 1.762 2.319 1.560
49 HD1 HIS 5 HD1 HIS 5 1.072 4.692 0.460
50 HD2 HIS 5 HD2 HIS 5 -1.149 3.433 3.751
51 HE1 HIS 5 HE1 HIS 5 -0.070 6.748 1.325
52 HE2 HIS 5 HE2 HIS 5 -1.302 5.996 3.403
53 HN MK8 6 HN MK8 6 1.501 -0.552 0.910
54 HB MK8 6 HB11 MK8 6 4.150 -2.593 -0.480
55 HBA MK8 6 HB12 MK8 6 2.450 -2.975 -0.419
56 HD MK8 6 HD11 MK8 6 3.815 -4.360 1.039
57 HDA MK8 6 HD12 MK8 6 2.444 -4.200 2.096
58 HE MK8 6 HE1 MK8 6 5.251 -4.618 2.903
59 HG MK8 6 HG11 MK8 6 2.358 -1.955 1.885
60 HGA MK8 6 HG12 MK8 6 4.119 -1.790 1.810
61 HB1 MK8 6 HB21 MK8 6 3.878 1.014 -0.999
62 HB1A MK8 6 HB22 MK8 6 4.820 -0.394 -1.506
63 HB1B MK8 6 HB23 MK8 6 4.614 -0.041 0.211
64 H LEU 7 HN LEU 7 0.437 -0.985 -1.505
65 HA LEU 7 HA LEU 7 0.811 -2.222 -4.095
66 HB2 LEU 7 HB2 LEU 7 -1.030 -2.792 -2.471
67 HB3 LEU 7 HB1 LEU 7 -1.770 -1.251 -2.858
68 HG LEU 7 HG LEU 7 -1.696 -2.159 -5.336
69 HD11 LEU 7 HD11 LEU 7 -0.468 -4.295 -4.269
70 HD12 LEU 7 HD12 LEU 7 -1.470 -4.374 -5.716
71 HD13 LEU 7 HD13 LEU 7 -2.143 -4.824 -4.150
72 HD21 LEU 7 HD21 LEU 7 -3.751 -3.598 -3.809
73 HD22 LEU 7 HD22 LEU 7 -3.909 -2.434 -5.118
74 HD23 LEU 7 HD23 LEU 7 -3.621 -1.871 -3.471
75 H LEU 8 HN LEU 8 -0.296 0.913 -2.814
76 HA LEU 8 HA LEU 8 -0.978 2.079 -5.349
77 HB2 LEU 8 HB2 LEU 8 -0.464 3.589 -2.785
78 HB3 LEU 8 HB1 LEU 8 -1.447 4.092 -4.139
79 HG LEU 8 HG LEU 8 -2.239 1.730 -2.411
80 HD11 LEU 8 HD11 LEU 8 -3.811 3.585 -1.422
81 HD12 LEU 8 HD12 LEU 8 -2.496 4.650 -1.912
82 HD13 LEU 8 HD13 LEU 8 -2.186 3.332 -0.782
83 HD21 LEU 8 HD21 LEU 8 -3.411 1.967 -4.559
84 HD22 LEU 8 HD22 LEU 8 -3.876 3.601 -4.105
85 HD23 LEU 8 HD23 LEU 8 -4.491 2.225 -3.184
86 H GLN 9 HN GLN 9 1.831 2.157 -3.209
87 HA GLN 9 HA GLN 9 3.252 4.266 -4.520
88 HB2 GLN 9 HB2 GLN 9 4.233 2.193 -2.555
89 HB3 GLN 9 HB1 GLN 9 5.138 3.616 -3.048
90 HG2 GLN 9 HG2 GLN 9 3.417 5.048 -2.051
91 HG3 GLN 9 HG1 GLN 9 2.505 3.619 -1.575
92 HE21 GLN 9 HE21 GLN 9 4.342 5.917 -0.318
93 HE22 GLN 9 HE22 GLN 9 5.154 5.047 0.934
94 H ASP 10 HN ASP 10 3.279 0.732 -4.664
95 HA ASP 10 HA ASP 10 5.560 0.376 -6.333
96 HB2 ASP 10 HB2 ASP 10 4.516 -1.356 -4.837
97 HB3 ASP 10 HB1 ASP 10 3.218 -1.503 -6.006
98 H SER 11 HN SER 11 2.078 0.529 -6.884
99 HA SER 11 HA SER 11 2.049 0.048 -9.674
100 HB2 SER 11 HB2 SER 11 0.086 1.508 -7.897
101 HB3 SER 11 HB1 SER 11 -0.254 1.086 -9.568
102 HG SER 11 HG SER 11 -0.614 -0.916 -8.977
103 HN1 NH2 12 HN1 NH2 12 2.733 2.857 -7.804
104 HN2 NH2 12 HN2 NH2 12 2.979 3.951 -9.165
Start of MODEL 10
1 H1 ACE 0 H1 ACE 0 -2.652 -3.437 8.972
2 H2 ACE 0 H2 ACE 0 -2.449 -4.801 7.872
3 H3 ACE 0 H3 ACE 0 -4.044 -4.420 8.522
4 H HIS 1 HN HIS 1 -2.563 -1.512 7.992
5 HA HIS 1 HA HIS 1 -3.947 -1.061 5.460
6 HB2 HIS 1 HB2 HIS 1 -4.148 0.389 7.653
7 HB3 HIS 1 HB1 HIS 1 -2.691 1.146 7.033
8 HD1 HIS 1 HD1 HIS 1 -6.256 0.441 5.969
9 HD2 HIS 1 HD2 HIS 1 -3.164 3.115 5.218
10 HE1 HIS 1 HE1 HIS 1 -7.246 2.232 4.501
11 HE2 HIS 1 HE2 HIS 1 -5.351 3.826 4.052
12 HN MK8 2 HN MK8 2 -0.680 -1.039 6.840
13 HB MK8 2 HB11 MK8 2 1.836 -0.539 7.026
14 HBA MK8 2 HB12 MK8 2 2.738 -0.920 5.579
15 HD MK8 2 HD11 MK8 2 1.652 -3.252 4.460
16 HDA MK8 2 HD12 MK8 2 1.923 -4.515 5.615
17 HE MK8 2 HE1 MK8 2 4.387 -3.792 5.727
18 HG MK8 2 HG11 MK8 2 0.767 -2.843 6.749
19 HGA MK8 2 HG12 MK8 2 2.424 -2.749 7.297
20 HB1 MK8 2 HB21 MK8 2 1.497 1.277 6.091
21 HB1A MK8 2 HB22 MK8 2 -0.034 1.537 5.256
22 HB1B MK8 2 HB23 MK8 2 1.448 1.280 4.332
23 H ILE 3 HN ILE 3 -0.421 -2.725 4.519
24 HA ILE 3 HA ILE 3 0.944 -3.408 2.177
25 HB ILE 3 HB ILE 3 -1.879 -4.442 2.575
26 HG12 ILE 3 HG12 ILE 3 -0.725 -6.360 3.915
27 HG13 ILE 3 HG11 ILE 3 0.545 -5.194 4.214
28 HG21 ILE 3 HG21 ILE 3 -0.610 -5.142 0.586
29 HG22 ILE 3 HG22 ILE 3 -0.963 -6.497 1.652
30 HG23 ILE 3 HG23 ILE 3 0.661 -5.802 1.623
31 HD11 ILE 3 HD11 ILE 3 -1.278 -5.518 5.972
32 HD12 ILE 3 HD12 ILE 3 -2.281 -4.546 4.898
33 HD13 ILE 3 HD13 ILE 3 -0.787 -3.878 5.558
34 H LEU 4 HN LEU 4 -2.130 -1.782 2.709
35 HA LEU 4 HA LEU 4 -3.169 -1.503 0.142
36 HB2 LEU 4 HB2 LEU 4 -4.269 -0.974 2.340
37 HB3 LEU 4 HB1 LEU 4 -3.322 0.501 2.414
38 HG LEU 4 HG LEU 4 -5.154 0.033 0.077
39 HD11 LEU 4 HD11 LEU 4 -6.439 -0.442 2.157
40 HD12 LEU 4 HD12 LEU 4 -6.984 1.005 1.300
41 HD13 LEU 4 HD13 LEU 4 -5.978 1.158 2.745
42 HD21 LEU 4 HD21 LEU 4 -3.535 1.950 0.199
43 HD22 LEU 4 HD22 LEU 4 -4.436 2.527 1.601
44 HD23 LEU 4 HD23 LEU 4 -5.230 2.423 0.023
45 H HIS 5 HN HIS 5 -0.748 0.362 1.861
46 HA HIS 5 HA HIS 5 -0.428 2.458 -0.065
47 HB2 HIS 5 HB2 HIS 5 0.539 1.812 2.598
48 HB3 HIS 5 HB1 HIS 5 1.785 2.555 1.599
49 HD1 HIS 5 HD1 HIS 5 1.089 4.896 0.481
50 HD2 HIS 5 HD2 HIS 5 -1.309 3.540 3.606
51 HE1 HIS 5 HE1 HIS 5 -0.228 6.917 1.253
52 HE2 HIS 5 HE2 HIS 5 -1.516 6.100 3.264
53 HN MK8 6 HN MK8 6 1.655 -0.306 0.963
54 HB MK8 6 HB11 MK8 6 4.322 -2.362 -0.376
55 HBA MK8 6 HB12 MK8 6 2.636 -2.722 -0.059
56 HD MK8 6 HD11 MK8 6 3.858 -4.018 1.588
57 HDA MK8 6 HD12 MK8 6 2.464 -3.439 2.464
58 HE MK8 6 HE1 MK8 6 5.305 -3.611 3.595
59 HG MK8 6 HG11 MK8 6 2.948 -1.215 2.034
60 HGA MK8 6 HG12 MK8 6 4.660 -1.533 1.783
61 HB1 MK8 6 HB21 MK8 6 4.536 0.225 -1.909
62 HB1A MK8 6 HB22 MK8 6 5.059 -0.118 -0.261
63 HB1B MK8 6 HB23 MK8 6 3.998 1.253 -0.578
64 H LEU 7 HN LEU 7 0.522 -0.741 -1.456
65 HA LEU 7 HA LEU 7 0.901 -2.193 -3.958
66 HB2 LEU 7 HB2 LEU 7 -0.949 -2.671 -2.272
67 HB3 LEU 7 HB1 LEU 7 -1.715 -1.186 -2.809
68 HG LEU 7 HG LEU 7 -1.615 -2.280 -5.179
69 HD11 LEU 7 HD11 LEU 7 -2.080 -4.910 -4.433
70 HD12 LEU 7 HD12 LEU 7 -0.602 -4.456 -3.584
71 HD13 LEU 7 HD13 LEU 7 -0.696 -4.288 -5.336
72 HD21 LEU 7 HD21 LEU 7 -3.806 -2.811 -4.943
73 HD22 LEU 7 HD22 LEU 7 -3.572 -1.926 -3.433
74 HD23 LEU 7 HD23 LEU 7 -3.546 -3.692 -3.441
75 H LEU 8 HN LEU 8 -0.220 0.990 -2.847
76 HA LEU 8 HA LEU 8 -0.941 2.020 -5.417
77 HB2 LEU 8 HB2 LEU 8 -0.435 3.628 -2.910
78 HB3 LEU 8 HB1 LEU 8 -1.380 4.106 -4.303
79 HG LEU 8 HG LEU 8 -2.216 1.802 -2.542
80 HD11 LEU 8 HD11 LEU 8 -1.971 3.617 -1.052
81 HD12 LEU 8 HD12 LEU 8 -3.692 3.471 -1.420
82 HD13 LEU 8 HD13 LEU 8 -2.731 4.726 -2.187
83 HD21 LEU 8 HD21 LEU 8 -4.491 2.540 -3.314
84 HD22 LEU 8 HD22 LEU 8 -3.465 1.849 -4.573
85 HD23 LEU 8 HD23 LEU 8 -3.681 3.597 -4.468
86 H GLN 9 HN GLN 9 1.835 2.256 -3.266
87 HA GLN 9 HA GLN 9 3.269 4.282 -4.690
88 HB2 GLN 9 HB2 GLN 9 4.213 2.303 -2.608
89 HB3 GLN 9 HB1 GLN 9 5.134 3.680 -3.181
90 HG2 GLN 9 HG2 GLN 9 3.477 5.212 -2.262
91 HG3 GLN 9 HG1 GLN 9 2.483 3.861 -1.736
92 HE21 GLN 9 HE21 GLN 9 4.466 6.118 -0.613
93 HE22 GLN 9 HE22 GLN 9 5.177 5.303 0.727
94 H ASP 10 HN ASP 10 3.277 0.747 -4.662
95 HA ASP 10 HA ASP 10 5.583 0.292 -6.265
96 HB2 ASP 10 HB2 ASP 10 4.486 -1.403 -4.742
97 HB3 ASP 10 HB1 ASP 10 3.181 -1.530 -5.917
98 H SER 11 HN SER 11 2.092 0.406 -6.873
99 HA SER 11 HA SER 11 2.044 -0.194 -9.592
100 HB2 SER 11 HB2 SER 11 0.081 1.314 -7.857
101 HB3 SER 11 HB1 SER 11 -0.233 0.843 -9.522
102 HG SER 11 HG SER 11 -0.707 -0.605 -7.456
103 HN1 NH2 12 HN1 NH2 12 2.705 2.765 -7.940
104 HN2 NH2 12 HN2 NH2 12 2.870 3.746 -9.328
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