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 |
|
|
8853 |
1mxq   |
5575 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.462 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.930 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.544
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.067 -2.081 1.687
15 HA SER 3 HA SER 3 4.903 -4.572 2.645
16 1HB SER 3 2HB SER 3 3.747 -2.092 3.968
17 2HB SER 3 3HB SER 3 4.158 -3.515 4.905
18 HG SER 3 HG SER 3 6.347 -3.291 3.697
19 H LYS 4 HN LYS 4 1.799 -3.223 1.753
20 HA LYS 4 HA LYS 4 0.238 -4.897 3.455
21 1HB LYS 4 2HB LYS 4 -0.210 -2.598 2.001
22 2HB LYS 4 3HB LYS 4 -1.043 -3.805 1.042
23 1HG LYS 4 2HG LYS 4 -2.757 -3.470 2.525
24 2HG LYS 4 3HG LYS 4 -1.850 -4.564 3.551
25 1HD LYS 4 2HD LYS 4 -1.341 -2.916 5.040
26 2HD LYS 4 3HD LYS 4 -0.835 -1.815 3.773
27 1HE LYS 4 2HE LYS 4 -2.975 -0.888 3.519
28 2HE LYS 4 3HE LYS 4 -3.791 -2.338 4.070
29 1HZ LYS 4 1HZ LYS 4 -3.171 -0.123 5.608
30 2HZ LYS 4 2HZ LYS 4 -3.779 -1.532 6.154
31 H ASP 5 HN ASP 5 1.914 -5.232 0.396
32 HA ASP 5 HA ASP 5 0.289 -7.264 -0.636
33 1HB ASP 5 2HB ASP 5 2.523 -5.776 -1.472
34 2HB ASP 5 3HB ASP 5 3.149 -7.409 -1.362
35 HD2 ASP 5 HD2 ASP 5 2.436 -5.963 -4.085
36 H ALA 6 HN ALA 6 2.904 -7.057 1.745
37 HA ALA 6 HA ALA 6 3.842 -9.686 1.637
38 1HB ALA 6 1HB ALA 6 5.137 -8.062 2.785
39 2HB ALA 6 2HB ALA 6 3.754 -7.539 3.776
40 3HB ALA 6 3HB ALA 6 4.505 -9.127 4.064
41 H PHE 7 HN PHE 7 0.932 -8.203 3.032
42 HA PHE 7 HA PHE 7 0.329 -10.411 4.717
43 1HB PHE 7 2HB PHE 7 -0.537 -7.739 4.174
44 2HB PHE 7 3HB PHE 7 -1.915 -8.734 3.747
45 HD1 PHE 7 HD1 PHE 7 0.536 -8.262 6.520
46 HD2 PHE 7 HD2 PHE 7 -3.413 -9.341 5.403
47 HE1 PHE 7 HE1 PHE 7 -0.109 -8.409 8.942
48 HE2 PHE 7 HE2 PHE 7 -4.058 -9.488 7.824
49 HZ PHE 7 HZ PHE 7 -2.398 -9.021 9.565
50 H ILE 8 HN ILE 8 -0.007 -9.730 1.305
51 HA ILE 8 HA ILE 8 -2.272 -11.422 0.904
52 HB ILE 8 HB ILE 8 -0.288 -10.077 -0.917
53 1HG1 ILE 8 2HG1 ILE 8 -3.244 -9.571 -0.852
54 2HG1 ILE 8 3HG1 ILE 8 -2.241 -8.904 0.421
55 1HG2 ILE 8 1HG2 ILE 8 -2.113 -12.293 -1.506
56 2HG2 ILE 8 2HG2 ILE 8 -2.364 -10.866 -2.540
57 3HG2 ILE 8 3HG2 ILE 8 -0.759 -11.631 -2.452
58 1HD1 ILE 8 1HD1 ILE 8 -2.495 -8.054 -2.369
59 2HD1 ILE 8 2HD1 ILE 8 -1.760 -7.198 -0.993
60 3HD1 ILE 8 3HD1 ILE 8 -0.795 -8.358 -1.937
61 H GLY 9 HN GLY 9 1.194 -11.824 1.272
62 1HA GLY 9 1HA GLY 9 1.432 -14.286 -0.140
63 2HA GLY 9 2HA GLY 9 2.559 -13.603 1.015
64 H LEU 10 HN LEU 10 0.682 -13.329 3.254
65 HA LEU 10 HA LEU 10 0.872 -15.993 4.232
66 1HB LEU 10 2HB LEU 10 -0.653 -13.809 5.596
67 2HB LEU 10 3HB LEU 10 0.296 -15.109 6.290
68 HG LEU 10 HG LEU 10 1.181 -12.469 5.204
69 1HD1 LEU 10 1HD1 LEU 10 2.401 -12.307 7.215
70 2HD1 LEU 10 2HD1 LEU 10 0.832 -13.019 7.661
71 3HD1 LEU 10 3HD1 LEU 10 2.274 -14.054 7.531
72 1HD2 LEU 10 1HD2 LEU 10 3.574 -13.764 5.466
73 2HD2 LEU 10 2HD2 LEU 10 2.568 -15.012 4.693
74 3HD2 LEU 10 3HD2 LEU 10 2.756 -13.418 3.924
75 H MET 11 HN MET 11 -1.661 -13.941 2.800
76 HA MET 11 HA MET 11 -3.681 -15.851 3.524
77 1HB MET 11 2HB MET 11 -3.638 -13.101 3.022
78 2HB MET 11 3HB MET 11 -4.304 -13.719 1.524
79 1HG MET 11 2HG MET 11 -5.386 -14.481 4.278
80 2HG MET 11 3HG MET 11 -6.033 -13.164 3.321
81 1HE MET 11 1HE MET 11 -6.852 -15.975 4.588
82 2HE MET 11 2HE MET 11 -7.875 -16.889 3.454
83 3HE MET 11 3HE MET 11 -6.142 -17.270 3.594
Start of MODEL 2
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.068 -2.081 1.687
15 HA SER 3 HA SER 3 4.850 -4.623 2.614
16 1HB SER 3 2HB SER 3 4.007 -2.021 3.907
17 2HB SER 3 3HB SER 3 4.156 -3.460 4.896
18 HG SER 3 HG SER 3 6.118 -1.848 4.269
19 H LYS 4 HN LYS 4 1.825 -3.157 1.743
20 HA LYS 4 HA LYS 4 0.156 -4.523 3.566
21 1HB LYS 4 2HB LYS 4 -0.489 -2.459 2.384
22 2HB LYS 4 3HB LYS 4 -0.458 -3.312 0.854
23 1HG LYS 4 2HG LYS 4 -2.631 -3.860 1.217
24 2HG LYS 4 3HG LYS 4 -2.075 -4.944 2.477
25 1HD LYS 4 2HD LYS 4 -2.576 -3.440 4.200
26 2HD LYS 4 3HD LYS 4 -2.356 -2.029 3.185
27 1HE LYS 4 2HE LYS 4 -4.489 -2.341 2.102
28 2HE LYS 4 3HE LYS 4 -4.652 -3.975 2.715
29 1HZ LYS 4 1HZ LYS 4 -5.984 -2.599 4.096
30 2HZ LYS 4 2HZ LYS 4 -4.672 -2.920 5.006
31 H ASP 5 HN ASP 5 1.894 -5.438 0.663
32 HA ASP 5 HA ASP 5 0.201 -7.541 -0.072
33 1HB ASP 5 2HB ASP 5 2.856 -6.485 -0.801
34 2HB ASP 5 3HB ASP 5 2.810 -8.235 -0.884
35 HD2 ASP 5 HD2 ASP 5 1.683 -8.440 -3.750
36 H ALA 6 HN ALA 6 2.758 -7.053 2.331
37 HA ALA 6 HA ALA 6 3.570 -9.702 2.694
38 1HB ALA 6 1HB ALA 6 4.128 -7.155 3.757
39 2HB ALA 6 2HB ALA 6 3.565 -8.121 5.141
40 3HB ALA 6 3HB ALA 6 4.939 -8.686 4.162
41 H PHE 7 HN PHE 7 0.699 -7.880 3.720
42 HA PHE 7 HA PHE 7 -0.056 -9.746 5.728
43 1HB PHE 7 2HB PHE 7 -0.777 -7.168 4.718
44 2HB PHE 7 3HB PHE 7 -2.189 -8.160 4.414
45 HD1 PHE 7 HD1 PHE 7 -1.026 -5.891 6.610
46 HD2 PHE 7 HD2 PHE 7 -2.529 -9.860 6.639
47 HE1 PHE 7 HE1 PHE 7 -1.743 -5.602 8.998
48 HE2 PHE 7 HE2 PHE 7 -3.246 -9.571 9.027
49 HZ PHE 7 HZ PHE 7 -2.844 -7.446 10.178
50 H ILE 8 HN ILE 8 -0.267 -9.633 2.240
51 HA ILE 8 HA ILE 8 -2.600 -11.268 2.047
52 HB ILE 8 HB ILE 8 -0.527 -10.251 0.130
53 1HG1 ILE 8 2HG1 ILE 8 -3.478 -9.857 -0.147
54 2HG1 ILE 8 3HG1 ILE 8 -2.651 -8.989 1.132
55 1HG2 ILE 8 1HG2 ILE 8 -1.664 -11.350 -1.705
56 2HG2 ILE 8 2HG2 ILE 8 -1.070 -12.561 -0.544
57 3HG2 ILE 8 3HG2 ILE 8 -2.797 -12.130 -0.576
58 1HD1 ILE 8 1HD1 ILE 8 -2.687 -8.407 -1.691
59 2HD1 ILE 8 2HD1 ILE 8 -1.912 -7.482 -0.383
60 3HD1 ILE 8 3HD1 ILE 8 -1.012 -8.774 -1.215
61 H GLY 9 HN GLY 9 0.832 -11.753 2.597
62 1HA GLY 9 1HA GLY 9 1.019 -14.408 1.611
63 2HA GLY 9 2HA GLY 9 2.109 -13.605 2.723
64 H LEU 10 HN LEU 10 0.339 -12.953 4.862
65 HA LEU 10 HA LEU 10 0.175 -15.519 6.099
66 1HB LEU 10 2HB LEU 10 0.843 -13.996 7.620
67 2HB LEU 10 3HB LEU 10 -0.055 -12.682 6.887
68 HG LEU 10 HG LEU 10 -1.525 -14.865 8.342
69 1HD1 LEU 10 1HD1 LEU 10 0.486 -13.298 9.557
70 2HD1 LEU 10 2HD1 LEU 10 -1.076 -12.618 10.076
71 3HD1 LEU 10 3HD1 LEU 10 -0.723 -14.342 10.342
72 1HD2 LEU 10 1HD2 LEU 10 -2.785 -12.527 8.900
73 2HD2 LEU 10 2HD2 LEU 10 -2.103 -12.163 7.297
74 3HD2 LEU 10 3HD2 LEU 10 -3.168 -13.573 7.512
75 H MET 11 HN MET 11 -2.135 -13.070 4.817
76 HA MET 11 HA MET 11 -4.375 -14.563 5.689
77 1HB MET 11 2HB MET 11 -3.874 -12.158 3.891
78 2HB MET 11 3HB MET 11 -5.469 -12.883 3.909
79 1HG MET 11 2HG MET 11 -4.036 -12.040 6.468
80 2HG MET 11 3HG MET 11 -5.071 -10.946 5.570
81 1HE MET 11 1HE MET 11 -7.475 -11.328 5.014
82 2HE MET 11 2HE MET 11 -7.400 -13.019 4.463
83 3HE MET 11 3HE MET 11 -8.549 -12.548 5.738
Start of MODEL 3
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.008 0.516 -0.885
14 H SER 3 HN SER 3 4.070 -2.081 1.686
15 HA SER 3 HA SER 3 4.899 -4.579 2.641
16 1HB SER 3 2HB SER 3 5.081 -2.167 3.687
17 2HB SER 3 3HB SER 3 3.492 -2.504 4.345
18 HG SER 3 HG SER 3 5.573 -4.448 4.677
19 H LYS 4 HN LYS 4 1.807 -3.219 1.746
20 HA LYS 4 HA LYS 4 0.227 -4.848 3.469
21 1HB LYS 4 2HB LYS 4 -0.553 -2.680 2.632
22 2HB LYS 4 3HB LYS 4 -0.487 -3.265 0.982
23 1HG LYS 4 2HG LYS 4 -2.777 -3.501 1.648
24 2HG LYS 4 3HG LYS 4 -2.114 -5.123 1.679
25 1HD LYS 4 2HD LYS 4 -2.982 -5.216 3.793
26 2HD LYS 4 3HD LYS 4 -1.553 -4.311 4.250
27 1HE LYS 4 2HE LYS 4 -3.523 -3.170 5.146
28 2HE LYS 4 3HE LYS 4 -2.814 -2.166 3.898
29 1HZ LYS 4 1HZ LYS 4 -4.621 -3.808 2.594
30 2HZ LYS 4 2HZ LYS 4 -5.401 -3.333 3.942
31 H ASP 5 HN ASP 5 1.915 -5.267 0.424
32 HA ASP 5 HA ASP 5 0.285 -7.316 -0.563
33 1HB ASP 5 2HB ASP 5 2.515 -5.857 -1.437
34 2HB ASP 5 3HB ASP 5 3.156 -7.479 -1.263
35 HD2 ASP 5 HD2 ASP 5 0.697 -5.670 -2.899
36 H ALA 6 HN ALA 6 2.891 -7.063 1.824
37 HA ALA 6 HA ALA 6 3.817 -9.699 1.786
38 1HB ALA 6 1HB ALA 6 4.538 -9.105 4.154
39 2HB ALA 6 2HB ALA 6 5.076 -7.977 2.886
40 3HB ALA 6 3HB ALA 6 3.701 -7.550 3.933
41 H PHE 7 HN PHE 7 0.907 -8.166 3.130
42 HA PHE 7 HA PHE 7 0.286 -10.329 4.868
43 1HB PHE 7 2HB PHE 7 -0.565 -7.667 4.253
44 2HB PHE 7 3HB PHE 7 -1.946 -8.666 3.847
45 HD1 PHE 7 HD1 PHE 7 -2.908 -10.184 5.627
46 HD2 PHE 7 HD2 PHE 7 -0.048 -7.173 6.501
47 HE1 PHE 7 HE1 PHE 7 -3.562 -10.266 8.049
48 HE2 PHE 7 HE2 PHE 7 -0.703 -7.255 8.923
49 HZ PHE 7 HZ PHE 7 -2.451 -8.800 9.668
50 H ILE 8 HN ILE 8 -0.031 -9.732 1.438
51 HA ILE 8 HA ILE 8 -2.304 -11.421 1.070
52 HB ILE 8 HB ILE 8 -0.302 -10.143 -0.781
53 1HG1 ILE 8 2HG1 ILE 8 -3.252 -9.595 -0.717
54 2HG1 ILE 8 3HG1 ILE 8 -2.229 -8.901 0.525
55 1HG2 ILE 8 1HG2 ILE 8 -2.618 -11.965 -1.470
56 2HG2 ILE 8 2HG2 ILE 8 -1.830 -10.869 -2.630
57 3HG2 ILE 8 3HG2 ILE 8 -0.898 -12.182 -1.871
58 1HD1 ILE 8 1HD1 ILE 8 -1.716 -7.252 -0.941
59 2HD1 ILE 8 2HD1 ILE 8 -0.808 -8.462 -1.879
60 3HD1 ILE 8 3HD1 ILE 8 -2.510 -8.122 -2.276
61 H GLY 9 HN GLY 9 1.159 -11.832 1.463
62 1HA GLY 9 1HA GLY 9 1.426 -14.307 0.102
63 2HA GLY 9 2HA GLY 9 2.509 -13.628 1.301
64 H LEU 10 HN LEU 10 0.835 -13.384 3.564
65 HA LEU 10 HA LEU 10 0.755 -16.116 4.383
66 1HB LEU 10 2HB LEU 10 1.470 -14.840 6.099
67 2HB LEU 10 3HB LEU 10 0.525 -13.444 5.620
68 HG LEU 10 HG LEU 10 -0.856 -15.856 6.768
69 1HD1 LEU 10 1HD1 LEU 10 1.148 -15.085 8.208
70 2HD1 LEU 10 2HD1 LEU 10 0.149 -13.654 8.555
71 3HD1 LEU 10 3HD1 LEU 10 -0.444 -15.277 8.981
72 1HD2 LEU 10 1HD2 LEU 10 -2.047 -13.563 7.733
73 2HD2 LEU 10 2HD2 LEU 10 -1.542 -13.094 6.092
74 3HD2 LEU 10 3HD2 LEU 10 -2.585 -14.516 6.330
75 H MET 11 HN MET 11 -1.637 -13.540 3.598
76 HA MET 11 HA MET 11 -3.779 -15.358 4.188
77 1HB MET 11 2HB MET 11 -3.807 -12.835 4.664
78 2HB MET 11 3HB MET 11 -3.834 -12.557 2.934
79 1HG MET 11 2HG MET 11 -6.054 -13.122 2.746
80 2HG MET 11 3HG MET 11 -5.905 -14.481 3.843
81 1HE MET 11 1HE MET 11 -6.466 -14.694 5.821
82 2HE MET 11 2HE MET 11 -5.766 -13.584 7.023
83 3HE MET 11 3HE MET 11 -7.525 -13.608 6.753
Start of MODEL 4
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.008 0.516 -0.885
14 H SER 3 HN SER 3 4.070 -2.081 1.686
15 HA SER 3 HA SER 3 4.836 -4.635 2.606
16 1HB SER 3 2HB SER 3 4.993 -2.079 3.607
17 2HB SER 3 3HB SER 3 3.652 -2.705 4.546
18 HG SER 3 HG SER 3 4.970 -4.411 5.316
19 H LYS 4 HN LYS 4 1.817 -3.073 1.825
20 HA LYS 4 HA LYS 4 0.116 -4.323 3.644
21 1HB LYS 4 2HB LYS 4 -0.539 -2.395 2.308
22 2HB LYS 4 3HB LYS 4 -0.381 -3.318 0.827
23 1HG LYS 4 2HG LYS 4 -2.083 -4.824 2.596
24 2HG LYS 4 3HG LYS 4 -2.648 -3.166 2.616
25 1HD LYS 4 2HD LYS 4 -2.487 -3.259 0.017
26 2HD LYS 4 3HD LYS 4 -2.325 -4.994 0.203
27 1HE LYS 4 2HE LYS 4 -4.491 -5.014 1.515
28 2HE LYS 4 3HE LYS 4 -4.661 -3.298 1.207
29 1HZ LYS 4 1HZ LYS 4 -4.953 -5.516 -0.668
30 2HZ LYS 4 2HZ LYS 4 -5.791 -4.122 -0.591
31 H ASP 5 HN ASP 5 1.903 -5.531 0.881
32 HA ASP 5 HA ASP 5 0.206 -7.683 0.319
33 1HB ASP 5 2HB ASP 5 2.576 -6.579 -0.728
34 2HB ASP 5 3HB ASP 5 3.075 -8.165 -0.175
35 HD2 ASP 5 HD2 ASP 5 1.856 -9.625 -2.997
36 H ALA 6 HN ALA 6 2.720 -6.984 2.716
37 HA ALA 6 HA ALA 6 3.496 -9.590 3.354
38 1HB ALA 6 1HB ALA 6 3.337 -7.120 5.129
39 2HB ALA 6 2HB ALA 6 4.344 -8.561 5.409
40 3HB ALA 6 3HB ALA 6 4.675 -7.500 4.018
41 H PHE 7 HN PHE 7 0.622 -7.654 4.136
42 HA PHE 7 HA PHE 7 -0.193 -9.309 6.298
43 1HB PHE 7 2HB PHE 7 -0.867 -6.836 5.027
44 2HB PHE 7 3HB PHE 7 -2.282 -7.842 4.789
45 HD1 PHE 7 HD1 PHE 7 -2.968 -9.189 7.039
46 HD2 PHE 7 HD2 PHE 7 -0.863 -5.506 6.901
47 HE1 PHE 7 HE1 PHE 7 -3.733 -8.663 9.371
48 HE2 PHE 7 HE2 PHE 7 -1.629 -4.981 9.233
49 HZ PHE 7 HZ PHE 7 -3.055 -6.566 10.440
50 H ILE 8 HN ILE 8 -0.329 -9.535 2.812
51 HA ILE 8 HA ILE 8 -2.674 -11.163 2.729
52 HB ILE 8 HB ILE 8 -0.541 -10.388 0.758
53 1HG1 ILE 8 2HG1 ILE 8 -3.484 -9.900 0.454
54 2HG1 ILE 8 3HG1 ILE 8 -2.581 -8.922 1.595
55 1HG2 ILE 8 1HG2 ILE 8 -1.233 -12.754 0.355
56 2HG2 ILE 8 2HG2 ILE 8 -2.905 -12.180 0.150
57 3HG2 ILE 8 3HG2 ILE 8 -1.633 -11.635 -0.970
58 1HD1 ILE 8 1HD1 ILE 8 -1.011 -9.094 -0.809
59 2HD1 ILE 8 2HD1 ILE 8 -2.679 -8.678 -1.270
60 3HD1 ILE 8 3HD1 ILE 8 -1.796 -7.659 -0.108
61 H GLY 9 HN GLY 9 0.740 -11.619 3.398
62 1HA GLY 9 1HA GLY 9 0.918 -14.361 2.681
63 2HA GLY 9 2HA GLY 9 1.997 -13.461 3.727
64 H LEU 10 HN LEU 10 0.169 -12.578 5.745
65 HA LEU 10 HA LEU 10 -0.022 -14.999 7.244
66 1HB LEU 10 2HB LEU 10 0.606 -13.320 8.611
67 2HB LEU 10 3HB LEU 10 -0.275 -12.095 7.720
68 HG LEU 10 HG LEU 10 -1.778 -14.117 9.362
69 1HD1 LEU 10 1HD1 LEU 10 0.208 -12.469 10.467
70 2HD1 LEU 10 2HD1 LEU 10 -1.340 -11.670 10.833
71 3HD1 LEU 10 3HD1 LEU 10 -1.073 -13.359 11.325
72 1HD2 LEU 10 1HD2 LEU 10 -3.002 -11.672 9.617
73 2HD2 LEU 10 2HD2 LEU 10 -2.353 -11.605 7.961
74 3HD2 LEU 10 3HD2 LEU 10 -3.436 -12.934 8.440
75 H MET 11 HN MET 11 -2.302 -12.709 5.653
76 HA MET 11 HA MET 11 -4.567 -14.083 6.630
77 1HB MET 11 2HB MET 11 -4.123 -11.603 5.574
78 2HB MET 11 3HB MET 11 -4.668 -12.406 4.115
79 1HG MET 11 2HG MET 11 -6.346 -12.956 6.519
80 2HG MET 11 3HG MET 11 -6.347 -11.281 6.004
81 1HE MET 11 1HE MET 11 -8.362 -13.471 6.310
82 2HE MET 11 2HE MET 11 -9.516 -13.164 4.990
83 3HE MET 11 3HE MET 11 -8.519 -14.638 4.975
Start of MODEL 5
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.070 -2.081 1.687
15 HA SER 3 HA SER 3 4.868 -4.608 2.623
16 1HB SER 3 2HB SER 3 4.348 -1.932 3.718
17 2HB SER 3 3HB SER 3 3.787 -3.188 4.804
18 HG SER 3 HG SER 3 6.041 -4.180 4.308
19 H LYS 4 HN LYS 4 1.819 -3.178 1.743
20 HA LYS 4 HA LYS 4 0.135 -4.527 3.534
21 1HB LYS 4 2HB LYS 4 -0.658 -2.607 2.347
22 2HB LYS 4 3HB LYS 4 -0.302 -3.328 0.790
23 1HG LYS 4 2HG LYS 4 -2.224 -4.578 0.782
24 2HG LYS 4 3HG LYS 4 -2.069 -5.011 2.473
25 1HD LYS 4 2HD LYS 4 -3.608 -3.451 3.048
26 2HD LYS 4 3HD LYS 4 -2.620 -2.184 2.350
27 1HE LYS 4 2HE LYS 4 -3.643 -2.449 0.169
28 2HE LYS 4 3HE LYS 4 -4.405 -3.959 0.630
29 1HZ LYS 4 1HZ LYS 4 -5.562 -2.501 2.413
30 2HZ LYS 4 2HZ LYS 4 -5.137 -1.234 1.484
31 H ASP 5 HN ASP 5 1.988 -5.559 0.742
32 HA ASP 5 HA ASP 5 0.370 -7.742 0.076
33 1HB ASP 5 2HB ASP 5 2.991 -6.637 -0.656
34 2HB ASP 5 3HB ASP 5 3.050 -8.387 -0.588
35 HD2 ASP 5 HD2 ASP 5 3.025 -8.929 -2.571
36 H ALA 6 HN ALA 6 2.834 -7.056 2.527
37 HA ALA 6 HA ALA 6 3.696 -9.658 3.064
38 1HB ALA 6 1HB ALA 6 4.966 -8.565 4.575
39 2HB ALA 6 2HB ALA 6 4.220 -7.070 3.961
40 3HB ALA 6 3HB ALA 6 3.540 -7.881 5.392
41 H PHE 7 HN PHE 7 0.751 -7.855 3.895
42 HA PHE 7 HA PHE 7 -0.025 -9.626 5.980
43 1HB PHE 7 2HB PHE 7 -0.772 -7.126 4.805
44 2HB PHE 7 3HB PHE 7 -2.151 -8.169 4.514
45 HD1 PHE 7 HD1 PHE 7 -3.143 -9.400 6.547
46 HD2 PHE 7 HD2 PHE 7 -0.492 -6.104 6.886
47 HE1 PHE 7 HE1 PHE 7 -3.944 -8.997 8.891
48 HE2 PHE 7 HE2 PHE 7 -1.292 -5.701 9.231
49 HZ PHE 7 HZ PHE 7 -3.009 -7.152 10.205
50 H ILE 8 HN ILE 8 -0.124 -9.711 2.487
51 HA ILE 8 HA ILE 8 -2.411 -11.412 2.313
52 HB ILE 8 HB ILE 8 -0.252 -10.869 0.274
53 1HG1 ILE 8 2HG1 ILE 8 -1.249 -8.777 1.162
54 2HG1 ILE 8 3HG1 ILE 8 -1.580 -9.043 -0.538
55 1HG2 ILE 8 1HG2 ILE 8 -2.768 -11.243 -0.931
56 2HG2 ILE 8 2HG2 ILE 8 -1.356 -12.324 -0.983
57 3HG2 ILE 8 3HG2 ILE 8 -2.598 -12.543 0.273
58 1HD1 ILE 8 1HD1 ILE 8 -3.823 -9.129 -0.189
59 2HD1 ILE 8 2HD1 ILE 8 -3.640 -10.266 1.168
60 3HD1 ILE 8 3HD1 ILE 8 -3.483 -8.515 1.447
61 H GLY 9 HN GLY 9 1.011 -11.781 2.997
62 1HA GLY 9 1HA GLY 9 1.276 -14.489 2.174
63 2HA GLY 9 2HA GLY 9 2.329 -13.593 3.251
64 H LEU 10 HN LEU 10 0.547 -12.849 5.328
65 HA LEU 10 HA LEU 10 0.387 -15.340 6.708
66 1HB LEU 10 2HB LEU 10 1.034 -13.728 8.145
67 2HB LEU 10 3HB LEU 10 0.134 -12.464 7.331
68 HG LEU 10 HG LEU 10 -1.335 -14.569 8.897
69 1HD1 LEU 10 1HD1 LEU 10 -0.137 -14.014 10.716
70 2HD1 LEU 10 2HD1 LEU 10 0.479 -12.511 9.987
71 3HD1 LEU 10 3HD1 LEU 10 -1.149 -12.550 10.706
72 1HD2 LEU 10 1HD2 LEU 10 -3.114 -13.307 8.485
73 2HD2 LEU 10 2HD2 LEU 10 -2.298 -11.850 9.103
74 3HD2 LEU 10 3HD2 LEU 10 -2.099 -12.327 7.400
75 H MET 11 HN MET 11 -1.927 -12.984 5.270
76 HA MET 11 HA MET 11 -4.142 -14.541 6.169
77 1HB MET 11 2HB MET 11 -3.815 -11.901 5.567
78 2HB MET 11 3HB MET 11 -4.377 -12.445 3.999
79 1HG MET 11 2HG MET 11 -5.917 -13.347 6.434
80 2HG MET 11 3HG MET 11 -6.097 -11.680 5.924
81 1HE MET 11 1HE MET 11 -7.416 -14.710 6.056
82 2HE MET 11 2HE MET 11 -8.870 -13.833 5.522
83 3HE MET 11 3HE MET 11 -8.233 -15.177 4.545
Start of MODEL 6
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.070 -2.081 1.687
15 HA SER 3 HA SER 3 4.863 -4.612 2.620
16 1HB SER 3 2HB SER 3 5.212 -2.240 3.667
17 2HB SER 3 3HB SER 3 3.602 -2.443 4.330
18 HG SER 3 HG SER 3 4.509 -4.615 5.141
19 H LYS 4 HN LYS 4 1.809 -3.127 1.800
20 HA LYS 4 HA LYS 4 0.145 -4.516 3.583
21 1HB LYS 4 2HB LYS 4 -0.569 -2.506 2.412
22 2HB LYS 4 3HB LYS 4 -0.399 -3.300 0.860
23 1HG LYS 4 2HG LYS 4 -2.389 -4.414 1.068
24 2HG LYS 4 3HG LYS 4 -2.092 -4.830 2.744
25 1HD LYS 4 2HD LYS 4 -3.306 -3.060 3.517
26 2HD LYS 4 3HD LYS 4 -2.540 -1.939 2.409
27 1HE LYS 4 2HE LYS 4 -4.065 -2.493 0.623
28 2HE LYS 4 3HE LYS 4 -4.642 -3.925 1.453
29 1HZ LYS 4 1HZ LYS 4 -5.709 -1.372 1.635
30 2HZ LYS 4 2HZ LYS 4 -6.158 -2.670 2.510
31 H ASP 5 HN ASP 5 1.934 -5.468 0.724
32 HA ASP 5 HA ASP 5 0.275 -7.605 0.007
33 1HB ASP 5 2HB ASP 5 2.606 -6.370 -0.974
34 2HB ASP 5 3HB ASP 5 3.153 -7.978 -0.541
35 HD2 ASP 5 HD2 ASP 5 2.097 -6.286 -2.951
36 H ALA 6 HN ALA 6 2.793 -7.040 2.434
37 HA ALA 6 HA ALA 6 3.630 -9.670 2.861
38 1HB ALA 6 1HB ALA 6 4.491 -8.789 4.970
39 2HB ALA 6 2HB ALA 6 4.759 -7.597 3.675
40 3HB ALA 6 3HB ALA 6 3.433 -7.364 4.839
41 H PHE 7 HN PHE 7 0.724 -7.863 3.812
42 HA PHE 7 HA PHE 7 -0.037 -9.699 5.845
43 1HB PHE 7 2HB PHE 7 -0.773 -7.150 4.776
44 2HB PHE 7 3HB PHE 7 -2.170 -8.164 4.471
45 HD1 PHE 7 HD1 PHE 7 -2.652 -9.773 6.674
46 HD2 PHE 7 HD2 PHE 7 -0.936 -5.892 6.688
47 HE1 PHE 7 HE1 PHE 7 -3.407 -9.448 9.045
48 HE2 PHE 7 HE2 PHE 7 -1.691 -5.566 9.059
49 HZ PHE 7 HZ PHE 7 -2.918 -7.348 10.210
50 H ILE 8 HN ILE 8 -0.200 -9.656 2.353
51 HA ILE 8 HA ILE 8 -2.511 -11.322 2.161
52 HB ILE 8 HB ILE 8 -0.377 -10.553 0.168
53 1HG1 ILE 8 2HG1 ILE 8 -1.553 -8.602 0.840
54 2HG1 ILE 8 3HG1 ILE 8 -2.202 -9.075 -0.718
55 1HG2 ILE 8 1HG2 ILE 8 -1.352 -12.636 -0.536
56 2HG2 ILE 8 2HG2 ILE 8 -2.995 -12.023 -0.233
57 3HG2 ILE 8 3HG2 ILE 8 -2.011 -11.323 -1.541
58 1HD1 ILE 8 1HD1 ILE 8 -3.487 -9.201 1.998
59 2HD1 ILE 8 2HD1 ILE 8 -4.188 -8.726 0.432
60 3HD1 ILE 8 3HD1 ILE 8 -3.937 -10.448 0.809
61 H GLY 9 HN GLY 9 0.917 -11.755 2.767
62 1HA GLY 9 1HA GLY 9 1.148 -14.428 1.836
63 2HA GLY 9 2HA GLY 9 2.214 -13.590 2.945
64 H LEU 10 HN LEU 10 0.508 -12.934 5.085
65 HA LEU 10 HA LEU 10 0.293 -15.492 6.328
66 1HB LEU 10 2HB LEU 10 1.018 -13.983 7.838
67 2HB LEU 10 3HB LEU 10 0.144 -12.648 7.113
68 HG LEU 10 HG LEU 10 -1.361 -14.791 8.592
69 1HD1 LEU 10 1HD1 LEU 10 0.331 -14.236 10.177
70 2HD1 LEU 10 2HD1 LEU 10 0.166 -12.495 9.840
71 3HD1 LEU 10 3HD1 LEU 10 -1.151 -13.374 10.654
72 1HD2 LEU 10 1HD2 LEU 10 -2.983 -13.462 7.779
73 2HD2 LEU 10 2HD2 LEU 10 -2.556 -12.422 9.160
74 3HD2 LEU 10 3HD2 LEU 10 -1.886 -12.079 7.547
75 H MET 11 HN MET 11 -1.972 -12.989 5.071
76 HA MET 11 HA MET 11 -4.244 -14.380 5.991
77 1HB MET 11 2HB MET 11 -4.119 -11.895 5.491
78 2HB MET 11 3HB MET 11 -3.937 -12.264 3.787
79 1HG MET 11 2HG MET 11 -6.164 -12.923 3.539
80 2HG MET 11 3HG MET 11 -6.298 -13.493 5.191
81 1HE MET 11 1HE MET 11 -7.065 -12.512 6.942
82 2HE MET 11 2HE MET 11 -7.603 -10.836 7.204
83 3HE MET 11 3HE MET 11 -8.568 -11.932 6.186
Start of MODEL 7
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.069 -2.081 1.687
15 HA SER 3 HA SER 3 4.717 -4.721 2.554
16 1HB SER 3 2HB SER 3 4.892 -2.032 3.605
17 2HB SER 3 3HB SER 3 4.031 -3.023 4.765
18 HG SER 3 HG SER 3 6.433 -2.996 4.967
19 H LYS 4 HN LYS 4 1.926 -3.512 1.404
20 HA LYS 4 HA LYS 4 0.124 -4.126 3.529
21 1HB LYS 4 2HB LYS 4 -0.268 -2.430 1.711
22 2HB LYS 4 3HB LYS 4 -0.460 -3.753 0.578
23 1HG LYS 4 2HG LYS 4 -2.083 -4.267 2.939
24 2HG LYS 4 3HG LYS 4 -2.432 -2.659 2.338
25 1HD LYS 4 2HD LYS 4 -3.292 -3.437 0.321
26 2HD LYS 4 3HD LYS 4 -2.232 -4.832 0.277
27 1HE LYS 4 2HE LYS 4 -3.844 -6.143 1.189
28 2HE LYS 4 3HE LYS 4 -3.965 -5.087 2.582
29 1HZ LYS 4 1HZ LYS 4 -6.064 -5.236 1.309
30 2HZ LYS 4 2HZ LYS 4 -5.525 -3.701 1.366
31 H ASP 5 HN ASP 5 1.826 -5.904 1.030
32 HA ASP 5 HA ASP 5 -0.003 -8.014 0.842
33 1HB ASP 5 2HB ASP 5 2.748 -7.386 -0.045
34 2HB ASP 5 3HB ASP 5 2.533 -9.089 0.305
35 HD2 ASP 5 HD2 ASP 5 2.579 -8.573 -2.771
36 H ALA 6 HN ALA 6 2.554 -7.058 3.099
37 HA ALA 6 HA ALA 6 3.176 -9.556 4.184
38 1HB ALA 6 1HB ALA 6 4.682 -8.136 5.069
39 2HB ALA 6 2HB ALA 6 3.653 -6.727 4.718
40 3HB ALA 6 3HB ALA 6 3.421 -7.644 6.225
41 H PHE 7 HN PHE 7 0.429 -7.343 4.599
42 HA PHE 7 HA PHE 7 -0.475 -8.543 7.012
43 1HB PHE 7 2HB PHE 7 -1.003 -6.294 5.325
44 2HB PHE 7 3HB PHE 7 -2.478 -7.237 5.260
45 HD1 PHE 7 HD1 PHE 7 -0.067 -5.812 7.720
46 HD2 PHE 7 HD2 PHE 7 -4.071 -6.972 6.925
47 HE1 PHE 7 HE1 PHE 7 -0.785 -4.842 9.920
48 HE2 PHE 7 HE2 PHE 7 -4.789 -6.002 9.125
49 HZ PHE 7 HZ PHE 7 -3.138 -4.948 10.597
50 H ILE 8 HN ILE 8 -0.641 -9.365 3.618
51 HA ILE 8 HA ILE 8 -3.081 -10.837 3.806
52 HB ILE 8 HB ILE 8 -0.901 -10.643 1.735
53 1HG1 ILE 8 2HG1 ILE 8 -3.751 -9.761 1.397
54 2HG1 ILE 8 3HG1 ILE 8 -2.642 -8.750 2.302
55 1HG2 ILE 8 1HG2 ILE 8 -3.341 -12.403 1.816
56 2HG2 ILE 8 2HG2 ILE 8 -2.680 -11.813 0.272
57 3HG2 ILE 8 3HG2 ILE 8 -1.670 -12.804 1.352
58 1HD1 ILE 8 1HD1 ILE 8 -2.796 -9.210 -0.592
59 2HD1 ILE 8 2HD1 ILE 8 -1.958 -7.920 0.303
60 3HD1 ILE 8 3HD1 ILE 8 -1.153 -9.484 0.035
61 H GLY 9 HN GLY 9 0.302 -11.376 4.565
62 1HA GLY 9 1HA GLY 9 0.355 -14.191 4.317
63 2HA GLY 9 2HA GLY 9 1.434 -13.189 5.267
64 H LEU 10 HN LEU 10 -0.413 -11.936 7.050
65 HA LEU 10 HA LEU 10 -0.795 -14.096 8.875
66 1HB LEU 10 2HB LEU 10 -0.125 -12.266 10.009
67 2HB LEU 10 3HB LEU 10 -0.904 -11.144 8.911
68 HG LEU 10 HG LEU 10 -2.577 -12.824 10.760
69 1HD1 LEU 10 1HD1 LEU 10 -2.213 -11.554 12.618
70 2HD1 LEU 10 2HD1 LEU 10 -0.585 -11.493 11.900
71 3HD1 LEU 10 3HD1 LEU 10 -1.703 -10.125 11.687
72 1HD2 LEU 10 1HD2 LEU 10 -2.912 -10.340 9.140
73 2HD2 LEU 10 2HD2 LEU 10 -4.019 -11.711 9.390
74 3HD2 LEU 10 3HD2 LEU 10 -3.824 -10.482 10.662
75 H MET 11 HN MET 11 -2.883 -11.956 6.865
76 HA MET 11 HA MET 11 -5.221 -13.258 7.892
77 1HB MET 11 2HB MET 11 -4.535 -10.817 6.442
78 2HB MET 11 3HB MET 11 -5.783 -11.665 5.552
79 1HG MET 11 2HG MET 11 -7.293 -10.784 7.007
80 2HG MET 11 3HG MET 11 -6.640 -11.858 8.228
81 1HE MET 11 1HE MET 11 -7.486 -9.762 10.059
82 2HE MET 11 2HE MET 11 -6.277 -11.046 10.292
83 3HE MET 11 3HE MET 11 -5.911 -9.378 10.794
Start of MODEL 8
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.462 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.930 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.544
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.062 -2.081 1.687
15 HA SER 3 HA SER 3 4.705 -4.725 2.552
16 1HB SER 3 2HB SER 3 4.929 -2.045 3.593
17 2HB SER 3 3HB SER 3 4.029 -2.999 4.755
18 HG SER 3 HG SER 3 6.314 -3.147 5.144
19 H LYS 4 HN LYS 4 1.918 -3.497 1.412
20 HA LYS 4 HA LYS 4 0.119 -4.095 3.544
21 1HB LYS 4 2HB LYS 4 -0.331 -2.394 1.800
22 2HB LYS 4 3HB LYS 4 -0.400 -3.657 0.588
23 1HG LYS 4 2HG LYS 4 -2.653 -3.576 1.089
24 2HG LYS 4 3HG LYS 4 -2.173 -4.718 2.329
25 1HD LYS 4 2HD LYS 4 -1.885 -2.802 3.944
26 2HD LYS 4 3HD LYS 4 -2.441 -1.697 2.703
27 1HE LYS 4 2HE LYS 4 -4.629 -2.852 2.599
28 2HE LYS 4 3HE LYS 4 -4.078 -4.059 3.744
29 1HZ LYS 4 1HZ LYS 4 -3.859 -1.282 4.612
30 2HZ LYS 4 2HZ LYS 4 -5.371 -1.876 4.507
31 H ASP 5 HN ASP 5 1.806 -5.893 1.052
32 HA ASP 5 HA ASP 5 -0.039 -7.990 0.870
33 1HB ASP 5 2HB ASP 5 2.366 -7.250 -0.369
34 2HB ASP 5 3HB ASP 5 2.806 -8.714 0.489
35 HD2 ASP 5 HD2 ASP 5 0.958 -10.818 -1.413
36 H ALA 6 HN ALA 6 2.529 -7.046 3.121
37 HA ALA 6 HA ALA 6 3.134 -9.546 4.213
38 1HB ALA 6 1HB ALA 6 3.270 -6.688 5.219
39 2HB ALA 6 2HB ALA 6 3.810 -8.064 6.211
40 3HB ALA 6 3HB ALA 6 4.597 -7.729 4.650
41 H PHE 7 HN PHE 7 0.403 -7.311 4.624
42 HA PHE 7 HA PHE 7 -0.507 -8.497 7.042
43 1HB PHE 7 2HB PHE 7 -1.020 -6.249 5.349
44 2HB PHE 7 3HB PHE 7 -2.502 -7.182 5.289
45 HD1 PHE 7 HD1 PHE 7 -2.974 -8.181 7.889
46 HD2 PHE 7 HD2 PHE 7 -1.193 -4.484 6.808
47 HE1 PHE 7 HE1 PHE 7 -3.681 -7.197 10.087
48 HE2 PHE 7 HE2 PHE 7 -1.900 -3.501 9.006
49 HZ PHE 7 HZ PHE 7 -3.136 -4.869 10.619
50 H ILE 8 HN ILE 8 -0.683 -9.328 3.652
51 HA ILE 8 HA ILE 8 -3.134 -10.781 3.847
52 HB ILE 8 HB ILE 8 -0.992 -10.412 1.789
53 1HG1 ILE 8 2HG1 ILE 8 -3.921 -10.099 1.296
54 2HG1 ILE 8 3HG1 ILE 8 -3.144 -8.923 2.336
55 1HG2 ILE 8 1HG2 ILE 8 -2.930 -12.672 1.963
56 2HG2 ILE 8 2HG2 ILE 8 -2.672 -11.908 0.376
57 3HG2 ILE 8 3HG2 ILE 8 -1.295 -12.606 1.261
58 1HD1 ILE 8 1HD1 ILE 8 -2.239 -7.884 0.543
59 2HD1 ILE 8 2HD1 ILE 8 -1.435 -9.392 0.046
60 3HD1 ILE 8 3HD1 ILE 8 -3.086 -9.037 -0.517
61 H GLY 9 HN GLY 9 0.246 -11.343 4.603
62 1HA GLY 9 1HA GLY 9 0.196 -14.185 4.402
63 2HA GLY 9 2HA GLY 9 1.383 -13.192 5.223
64 H LEU 10 HN LEU 10 -0.331 -11.782 7.057
65 HA LEU 10 HA LEU 10 -0.615 -13.831 9.023
66 1HB LEU 10 2HB LEU 10 0.152 -11.952 10.005
67 2HB LEU 10 3HB LEU 10 -0.685 -10.881 8.899
68 HG LEU 10 HG LEU 10 -2.251 -12.428 10.948
69 1HD1 LEU 10 1HD1 LEU 10 -1.797 -9.884 12.039
70 2HD1 LEU 10 2HD1 LEU 10 -1.211 -11.451 12.648
71 3HD1 LEU 10 3HD1 LEU 10 -0.196 -10.487 11.549
72 1HD2 LEU 10 1HD2 LEU 10 -3.468 -10.070 10.798
73 2HD2 LEU 10 2HD2 LEU 10 -2.666 -10.041 9.209
74 3HD2 LEU 10 3HD2 LEU 10 -3.773 -11.372 9.623
75 H MET 11 HN MET 11 -2.807 -11.773 7.039
76 HA MET 11 HA MET 11 -5.122 -12.730 8.320
77 1HB MET 11 2HB MET 11 -4.425 -11.117 5.858
78 2HB MET 11 3HB MET 11 -6.039 -11.797 5.923
79 1HG MET 11 2HG MET 11 -5.052 -10.382 8.392
80 2HG MET 11 3HG MET 11 -5.440 -9.385 7.004
81 1HE MET 11 1HE MET 11 -7.512 -11.852 9.805
82 2HE MET 11 2HE MET 11 -6.285 -10.573 9.962
83 3HE MET 11 3HE MET 11 -8.012 -10.172 10.115
Start of MODEL 9
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.008 0.516 -0.885
14 H SER 3 HN SER 3 4.072 -2.081 1.686
15 HA SER 3 HA SER 3 4.877 -4.600 2.627
16 1HB SER 3 2HB SER 3 4.947 -2.070 3.636
17 2HB SER 3 3HB SER 3 3.544 -2.675 4.495
18 HG SER 3 HG SER 3 5.039 -4.619 4.973
19 H LYS 4 HN LYS 4 1.877 -3.378 1.531
20 HA LYS 4 HA LYS 4 0.165 -4.684 3.378
21 1HB LYS 4 2HB LYS 4 -0.309 -2.682 1.809
22 2HB LYS 4 3HB LYS 4 -0.565 -3.885 0.561
23 1HG LYS 4 2HG LYS 4 -2.056 -4.966 2.612
24 2HG LYS 4 3HG LYS 4 -2.228 -3.257 2.959
25 1HD LYS 4 2HD LYS 4 -2.530 -3.680 0.098
26 2HD LYS 4 3HD LYS 4 -3.588 -4.783 0.954
27 1HE LYS 4 2HE LYS 4 -4.967 -3.100 1.659
28 2HE LYS 4 3HE LYS 4 -3.625 -2.078 2.134
29 1HZ LYS 4 1HZ LYS 4 -5.185 -1.709 -0.080
30 2HZ LYS 4 2HZ LYS 4 -3.756 -0.974 0.186
31 H ASP 5 HN ASP 5 2.052 -5.663 0.578
32 HA ASP 5 HA ASP 5 0.498 -7.876 -0.109
33 1HB ASP 5 2HB ASP 5 2.813 -6.607 -1.057
34 2HB ASP 5 3HB ASP 5 3.415 -8.163 -0.520
35 HD2 ASP 5 HD2 ASP 5 3.535 -9.314 -2.666
36 H ALA 6 HN ALA 6 2.913 -7.165 2.387
37 HA ALA 6 HA ALA 6 3.800 -9.752 2.937
38 1HB ALA 6 1HB ALA 6 4.757 -8.784 4.853
39 2HB ALA 6 2HB ALA 6 4.633 -7.410 3.728
40 3HB ALA 6 3HB ALA 6 3.438 -7.602 5.032
41 H PHE 7 HN PHE 7 0.804 -8.007 3.710
42 HA PHE 7 HA PHE 7 0.011 -9.795 5.771
43 1HB PHE 7 2HB PHE 7 -0.753 -7.310 4.591
44 2HB PHE 7 3HB PHE 7 -2.097 -8.377 4.233
45 HD1 PHE 7 HD1 PHE 7 0.116 -7.843 7.204
46 HD2 PHE 7 HD2 PHE 7 -3.842 -8.113 5.699
47 HE1 PHE 7 HE1 PHE 7 -0.788 -7.483 9.517
48 HE2 PHE 7 HE2 PHE 7 -4.746 -7.752 8.012
49 HZ PHE 7 HZ PHE 7 -3.208 -7.442 9.894
50 H ILE 8 HN ILE 8 -0.008 -9.877 2.273
51 HA ILE 8 HA ILE 8 -2.246 -11.636 2.050
52 HB ILE 8 HB ILE 8 -0.187 -10.483 0.231
53 1HG1 ILE 8 2HG1 ILE 8 -2.455 -10.115 -1.050
54 2HG1 ILE 8 3HG1 ILE 8 -3.177 -10.453 0.510
55 1HG2 ILE 8 1HG2 ILE 8 -1.469 -11.944 -1.573
56 2HG2 ILE 8 2HG2 ILE 8 -0.006 -12.534 -0.749
57 3HG2 ILE 8 3HG2 ILE 8 -1.612 -13.069 -0.201
58 1HD1 ILE 8 1HD1 ILE 8 -2.728 -8.338 1.168
59 2HD1 ILE 8 2HD1 ILE 8 -0.987 -8.657 0.977
60 3HD1 ILE 8 3HD1 ILE 8 -1.930 -8.016 -0.390
61 H GLY 9 HN GLY 9 1.167 -11.917 2.810
62 1HA GLY 9 1HA GLY 9 1.474 -14.642 2.005
63 2HA GLY 9 2HA GLY 9 2.538 -13.701 3.031
64 H LEU 10 HN LEU 10 0.498 -12.911 5.008
65 HA LEU 10 HA LEU 10 0.601 -15.282 6.593
66 1HB LEU 10 2HB LEU 10 0.942 -13.484 7.911
67 2HB LEU 10 3HB LEU 10 -0.074 -12.428 6.950
68 HG LEU 10 HG LEU 10 -1.329 -14.585 8.628
69 1HD1 LEU 10 1HD1 LEU 10 0.038 -13.595 10.264
70 2HD1 LEU 10 2HD1 LEU 10 -0.214 -11.958 9.611
71 3HD1 LEU 10 3HD1 LEU 10 -1.546 -12.801 10.438
72 1HD2 LEU 10 1HD2 LEU 10 -2.194 -12.101 7.242
73 2HD2 LEU 10 2HD2 LEU 10 -3.030 -13.658 7.451
74 3HD2 LEU 10 3HD2 LEU 10 -2.983 -12.487 8.791
75 H MET 11 HN MET 11 -1.926 -13.395 4.853
76 HA MET 11 HA MET 11 -3.996 -15.070 5.815
77 1HB MET 11 2HB MET 11 -3.988 -12.571 4.850
78 2HB MET 11 3HB MET 11 -4.167 -13.364 3.298
79 1HG MET 11 2HG MET 11 -6.007 -14.393 5.402
80 2HG MET 11 3HG MET 11 -6.265 -12.710 4.989
81 1HE MET 11 1HE MET 11 -7.117 -16.411 3.694
82 2HE MET 11 2HE MET 11 -7.946 -15.274 4.784
83 3HE MET 11 3HE MET 11 -8.583 -15.561 3.147
Start of MODEL 10
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.462 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.930 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.544
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.069 -2.081 1.687
15 HA SER 3 HA SER 3 4.818 -4.649 2.598
16 1HB SER 3 2HB SER 3 4.981 -2.070 3.597
17 2HB SER 3 3HB SER 3 3.701 -2.747 4.584
18 HG SER 3 HG SER 3 5.866 -3.076 5.480
19 H LYS 4 HN LYS 4 1.835 -3.110 1.755
20 HA LYS 4 HA LYS 4 0.127 -4.319 3.629
21 1HB LYS 4 2HB LYS 4 -0.560 -2.374 2.380
22 2HB LYS 4 3HB LYS 4 -0.346 -3.204 0.852
23 1HG LYS 4 2HG LYS 4 -2.137 -4.626 2.755
24 2HG LYS 4 3HG LYS 4 -2.732 -3.053 2.261
25 1HD LYS 4 2HD LYS 4 -1.671 -4.961 0.160
26 2HD LYS 4 3HD LYS 4 -3.282 -5.208 0.805
27 1HE LYS 4 2HE LYS 4 -3.127 -2.423 0.254
28 2HE LYS 4 3HE LYS 4 -2.353 -3.201 -1.112
29 1HZ LYS 4 1HZ LYS 4 -4.311 -4.140 -1.756
30 2HZ LYS 4 2HZ LYS 4 -4.834 -4.439 -0.243
31 H ASP 5 HN ASP 5 1.827 -5.492 0.784
32 HA ASP 5 HA ASP 5 0.100 -7.604 0.209
33 1HB ASP 5 2HB ASP 5 2.848 -6.739 -0.505
34 2HB ASP 5 3HB ASP 5 2.641 -8.479 -0.541
35 HD2 ASP 5 HD2 ASP 5 2.495 -8.666 -2.990
36 H ALA 6 HN ALA 6 2.647 -7.012 2.604
37 HA ALA 6 HA ALA 6 3.364 -9.644 3.191
38 1HB ALA 6 1HB ALA 6 3.247 -7.548 5.336
39 2HB ALA 6 2HB ALA 6 4.552 -8.687 4.925
40 3HB ALA 6 3HB ALA 6 4.279 -7.244 3.919
41 H PHE 7 HN PHE 7 0.531 -7.667 4.019
42 HA PHE 7 HA PHE 7 -0.316 -9.344 6.150
43 1HB PHE 7 2HB PHE 7 -0.941 -6.839 4.932
44 2HB PHE 7 3HB PHE 7 -2.370 -7.813 4.651
45 HD1 PHE 7 HD1 PHE 7 -0.014 -7.359 7.523
46 HD2 PHE 7 HD2 PHE 7 -4.036 -7.397 6.173
47 HE1 PHE 7 HE1 PHE 7 -0.802 -6.876 9.857
48 HE2 PHE 7 HE2 PHE 7 -4.825 -6.915 8.506
49 HZ PHE 7 HZ PHE 7 -3.198 -6.660 10.321
50 H ILE 8 HN ILE 8 -0.465 -9.506 2.659
51 HA ILE 8 HA ILE 8 -2.831 -11.101 2.556
52 HB ILE 8 HB ILE 8 -0.758 -10.145 0.640
53 1HG1 ILE 8 2HG1 ILE 8 -3.041 -9.643 -0.572
54 2HG1 ILE 8 3HG1 ILE 8 -3.724 -9.882 1.024
55 1HG2 ILE 8 1HG2 ILE 8 -1.853 -11.504 -1.160
56 2HG2 ILE 8 2HG2 ILE 8 -0.865 -12.439 -0.012
57 3HG2 ILE 8 3HG2 ILE 8 -2.640 -12.458 0.121
58 1HD1 ILE 8 1HD1 ILE 8 -3.100 -7.783 1.587
59 2HD1 ILE 8 2HD1 ILE 8 -1.396 -8.248 1.369
60 3HD1 ILE 8 3HD1 ILE 8 -2.317 -7.578 0.002
61 H GLY 9 HN GLY 9 0.577 -11.614 3.208
62 1HA GLY 9 1HA GLY 9 0.746 -14.331 2.426
63 2HA GLY 9 2HA GLY 9 1.804 -13.475 3.530
64 H LEU 10 HN LEU 10 -0.043 -12.655 5.544
65 HA LEU 10 HA LEU 10 -0.306 -15.131 6.937
66 1HB LEU 10 2HB LEU 10 0.326 -13.521 8.384
67 2HB LEU 10 3HB LEU 10 -0.517 -12.245 7.528
68 HG LEU 10 HG LEU 10 -2.086 -14.304 9.058
69 1HD1 LEU 10 1HD1 LEU 10 -0.260 -13.424 10.539
70 2HD1 LEU 10 2HD1 LEU 10 -0.956 -11.800 10.326
71 3HD1 LEU 10 3HD1 LEU 10 -1.915 -13.084 11.099
72 1HD2 LEU 10 1HD2 LEU 10 -2.670 -11.914 7.595
73 2HD2 LEU 10 2HD2 LEU 10 -3.786 -13.046 8.397
74 3HD2 LEU 10 3HD2 LEU 10 -3.110 -11.671 9.303
75 H MET 11 HN MET 11 -2.514 -12.737 5.400
76 HA MET 11 HA MET 11 -4.828 -14.073 6.287
77 1HB MET 11 2HB MET 11 -4.794 -11.664 5.646
78 2HB MET 11 3HB MET 11 -4.316 -12.077 4.012
79 1HG MET 11 2HG MET 11 -6.445 -12.998 3.479
80 2HG MET 11 3HG MET 11 -6.873 -13.240 5.160
81 1HE MET 11 1HE MET 11 -6.640 -11.448 6.775
82 2HE MET 11 2HE MET 11 -6.765 -9.697 6.480
83 3HE MET 11 3HE MET 11 -8.240 -10.686 6.607
Start of MODEL 11
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.930
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.392
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.053
11 2HG PRO 2 3HG PRO 2 6.064 -0.272 -1.546
12 1HD PRO 2 2HD PRO 2 4.349 -0.039 0.741
13 2HD PRO 2 3HD PRO 2 4.008 0.516 -0.886
14 H SER 3 HN SER 3 4.065 -2.081 1.686
15 HA SER 3 HA SER 3 4.681 -4.740 2.542
16 1HB SER 3 2HB SER 3 4.966 -2.058 3.586
17 2HB SER 3 3HB SER 3 4.098 -3.020 4.765
18 HG SER 3 HG SER 3 5.811 -4.439 4.950
19 H LYS 4 HN LYS 4 1.909 -3.449 1.444
20 HA LYS 4 HA LYS 4 0.061 -3.764 3.510
21 1HB LYS 4 2HB LYS 4 -1.553 -3.426 1.887
22 2HB LYS 4 3HB LYS 4 -0.154 -2.638 1.187
23 1HG LYS 4 2HG LYS 4 -0.544 -3.930 -0.649
24 2HG LYS 4 3HG LYS 4 0.162 -5.242 0.274
25 1HD LYS 4 2HD LYS 4 -1.881 -6.242 0.694
26 2HD LYS 4 3HD LYS 4 -2.727 -4.713 0.827
27 1HE LYS 4 2HE LYS 4 -1.814 -4.939 -1.893
28 2HE LYS 4 3HE LYS 4 -2.542 -6.475 -1.465
29 1HZ LYS 4 1HZ LYS 4 -4.391 -5.263 -2.074
30 2HZ LYS 4 2HZ LYS 4 -4.394 -4.901 -0.486
31 H ASP 5 HN ASP 5 1.763 -6.075 1.440
32 HA ASP 5 HA ASP 5 -0.023 -8.183 1.792
33 1HB ASP 5 2HB ASP 5 2.756 -7.780 0.820
34 2HB ASP 5 3HB ASP 5 2.482 -9.370 1.503
35 HD2 ASP 5 HD2 ASP 5 0.868 -10.793 -0.204
36 H ALA 6 HN ALA 6 2.526 -6.702 3.756
37 HA ALA 6 HA ALA 6 3.171 -8.867 5.398
38 1HB ALA 6 1HB ALA 6 4.142 -7.185 6.836
39 2HB ALA 6 2HB ALA 6 4.400 -6.674 5.151
40 3HB ALA 6 3HB ALA 6 3.120 -5.913 6.126
41 H PHE 7 HN PHE 7 0.399 -6.648 5.286
42 HA PHE 7 HA PHE 7 -0.497 -7.262 7.913
43 1HB PHE 7 2HB PHE 7 -1.046 -5.475 5.745
44 2HB PHE 7 3HB PHE 7 -2.512 -6.422 5.909
45 HD1 PHE 7 HD1 PHE 7 -0.086 -4.892 8.314
46 HD2 PHE 7 HD2 PHE 7 -4.132 -5.331 7.114
47 HE1 PHE 7 HE1 PHE 7 -0.811 -3.438 10.227
48 HE2 PHE 7 HE2 PHE 7 -4.858 -3.877 9.027
49 HZ PHE 7 HZ PHE 7 -3.189 -2.948 10.561
50 H ILE 8 HN ILE 8 -0.646 -8.855 4.806
51 HA ILE 8 HA ILE 8 -3.072 -10.267 5.332
52 HB ILE 8 HB ILE 8 -0.906 -10.431 3.257
53 1HG1 ILE 8 2HG1 ILE 8 -3.826 -10.015 2.726
54 2HG1 ILE 8 3HG1 ILE 8 -2.898 -8.691 3.402
55 1HG2 ILE 8 1HG2 ILE 8 -2.781 -12.081 2.241
56 2HG2 ILE 8 2HG2 ILE 8 -1.350 -12.641 3.139
57 3HG2 ILE 8 3HG2 ILE 8 -2.917 -12.488 3.969
58 1HD1 ILE 8 1HD1 ILE 8 -2.182 -8.224 1.305
59 2HD1 ILE 8 2HD1 ILE 8 -1.255 -9.743 1.349
60 3HD1 ILE 8 3HD1 ILE 8 -2.902 -9.725 0.675
61 H GLY 9 HN GLY 9 0.315 -10.579 6.197
62 1HA GLY 9 1HA GLY 9 0.301 -13.394 6.666
63 2HA GLY 9 2HA GLY 9 1.484 -12.223 7.213
64 H LEU 10 HN LEU 10 -0.310 -10.435 8.645
65 HA LEU 10 HA LEU 10 -0.495 -11.927 11.070
66 1HB LEU 10 2HB LEU 10 0.172 -9.824 11.533
67 2HB LEU 10 3HB LEU 10 -0.715 -9.113 10.200
68 HG LEU 10 HG LEU 10 -2.202 -10.162 12.595
69 1HD1 LEU 10 1HD1 LEU 10 -2.027 -7.987 13.686
70 2HD1 LEU 10 2HD1 LEU 10 -0.425 -8.743 13.507
71 3HD1 LEU 10 3HD1 LEU 10 -0.915 -7.424 12.416
72 1HD2 LEU 10 1HD2 LEU 10 -3.942 -9.373 11.474
73 2HD2 LEU 10 2HD2 LEU 10 -3.251 -7.735 11.568
74 3HD2 LEU 10 3HD2 LEU 10 -2.873 -8.783 10.179
75 H MET 11 HN MET 11 -2.786 -10.552 8.654
76 HA MET 11 HA MET 11 -5.029 -11.388 10.185
77 1HB MET 11 2HB MET 11 -4.463 -10.005 7.583
78 2HB MET 11 3HB MET 11 -5.970 -10.898 7.618
79 1HG MET 11 2HG MET 11 -5.225 -8.967 9.853
80 2HG MET 11 3HG MET 11 -6.019 -8.408 8.394
81 1HE MET 11 1HE MET 11 -8.470 -11.002 7.894
82 2HE MET 11 2HE MET 11 -9.379 -9.531 8.318
83 3HE MET 11 3HE MET 11 -7.871 -9.407 7.380
Start of MODEL 12
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.930 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.544
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.072 -2.081 1.687
15 HA SER 3 HA SER 3 4.875 -4.602 2.626
16 1HB SER 3 2HB SER 3 5.136 -2.187 3.663
17 2HB SER 3 3HB SER 3 3.561 -2.499 4.365
18 HG SER 3 HG SER 3 4.380 -4.246 5.531
19 H LYS 4 HN LYS 4 1.811 -3.163 1.772
20 HA LYS 4 HA LYS 4 0.128 -4.518 3.542
21 1HB LYS 4 2HB LYS 4 -0.235 -2.557 1.772
22 2HB LYS 4 3HB LYS 4 -0.764 -3.885 0.759
23 1HG LYS 4 2HG LYS 4 -1.820 -3.845 3.571
24 2HG LYS 4 3HG LYS 4 -2.417 -2.596 2.495
25 1HD LYS 4 2HD LYS 4 -2.903 -4.493 0.797
26 2HD LYS 4 3HD LYS 4 -2.600 -5.614 2.109
27 1HE LYS 4 2HE LYS 4 -4.340 -4.004 3.403
28 2HE LYS 4 3HE LYS 4 -4.867 -3.656 1.768
29 1HZ LYS 4 1HZ LYS 4 -5.083 -6.149 3.249
30 2HZ LYS 4 2HZ LYS 4 -6.083 -5.536 2.119
31 H ASP 5 HN ASP 5 2.007 -5.577 0.777
32 HA ASP 5 HA ASP 5 0.408 -7.781 0.133
33 1HB ASP 5 2HB ASP 5 3.046 -6.684 -0.582
34 2HB ASP 5 3HB ASP 5 3.076 -8.435 -0.524
35 HD2 ASP 5 HD2 ASP 5 2.795 -6.094 -2.510
36 H ALA 6 HN ALA 6 2.850 -7.041 2.589
37 HA ALA 6 HA ALA 6 3.730 -9.629 3.168
38 1HB ALA 6 1HB ALA 6 4.963 -8.525 4.710
39 2HB ALA 6 2HB ALA 6 4.268 -7.044 4.010
40 3HB ALA 6 3HB ALA 6 3.527 -7.779 5.451
41 H PHE 7 HN PHE 7 0.766 -7.837 3.957
42 HA PHE 7 HA PHE 7 -0.009 -9.582 6.063
43 1HB PHE 7 2HB PHE 7 -0.768 -7.107 4.848
44 2HB PHE 7 3HB PHE 7 -2.135 -8.165 4.556
45 HD1 PHE 7 HD1 PHE 7 -0.517 -6.056 6.918
46 HD2 PHE 7 HD2 PHE 7 -3.138 -9.377 6.595
47 HE1 PHE 7 HE1 PHE 7 -1.344 -5.629 9.249
48 HE2 PHE 7 HE2 PHE 7 -3.965 -8.951 8.926
49 HZ PHE 7 HZ PHE 7 -3.058 -7.082 10.225
50 H ILE 8 HN ILE 8 -0.090 -9.719 2.569
51 HA ILE 8 HA ILE 8 -2.358 -11.447 2.412
52 HB ILE 8 HB ILE 8 -0.287 -10.404 0.525
53 1HG1 ILE 8 2HG1 ILE 8 -3.183 -10.383 -0.098
54 2HG1 ILE 8 3HG1 ILE 8 -2.716 -9.457 1.315
55 1HG2 ILE 8 1HG2 ILE 8 -1.545 -11.759 -1.266
56 2HG2 ILE 8 2HG2 ILE 8 -0.320 -12.592 -0.280
57 3HG2 ILE 8 3HG2 ILE 8 -2.050 -12.806 0.082
58 1HD1 ILE 8 1HD1 ILE 8 -0.894 -9.088 -0.998
59 2HD1 ILE 8 2HD1 ILE 8 -2.563 -8.542 -1.287
60 3HD1 ILE 8 3HD1 ILE 8 -1.631 -7.874 0.074
61 H GLY 9 HN GLY 9 1.060 -11.768 3.125
62 1HA GLY 9 1HA GLY 9 1.430 -14.446 2.311
63 2HA GLY 9 2HA GLY 9 2.379 -13.555 3.483
64 H LEU 10 HN LEU 10 0.311 -12.903 5.387
65 HA LEU 10 HA LEU 10 0.202 -15.408 6.750
66 1HB LEU 10 2HB LEU 10 0.470 -13.887 8.344
67 2HB LEU 10 3HB LEU 10 -0.140 -12.582 7.347
68 HG LEU 10 HG LEU 10 -1.393 -13.085 9.501
69 1HD1 LEU 10 1HD1 LEU 10 -3.497 -13.298 7.489
70 2HD1 LEU 10 2HD1 LEU 10 -3.106 -11.972 8.610
71 3HD1 LEU 10 3HD1 LEU 10 -2.246 -12.107 7.057
72 1HD2 LEU 10 1HD2 LEU 10 -2.415 -15.034 9.885
73 2HD2 LEU 10 2HD2 LEU 10 -3.033 -15.149 8.220
74 3HD2 LEU 10 3HD2 LEU 10 -1.375 -15.681 8.593
75 H MET 11 HN MET 11 -2.260 -13.096 5.415
76 HA MET 11 HA MET 11 -4.310 -15.026 5.881
77 1HB MET 11 2HB MET 11 -4.182 -12.245 5.631
78 2HB MET 11 3HB MET 11 -4.857 -12.703 4.080
79 1HG MET 11 2HG MET 11 -6.102 -14.145 6.354
80 2HG MET 11 3HG MET 11 -6.302 -12.407 6.453
81 1HE MET 11 1HE MET 11 -8.428 -14.548 6.243
82 2HE MET 11 2HE MET 11 -9.362 -14.586 4.729
83 3HE MET 11 3HE MET 11 -7.903 -15.591 4.899
Start of MODEL 13
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.462 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.930 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.544
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.064 -2.081 1.687
15 HA SER 3 HA SER 3 4.874 -4.598 2.629
16 1HB SER 3 2HB SER 3 4.460 -1.933 3.680
17 2HB SER 3 3HB SER 3 3.671 -3.079 4.744
18 HG SER 3 HG SER 3 6.443 -3.073 3.917
19 H LYS 4 HN LYS 4 1.804 -3.169 1.773
20 HA LYS 4 HA LYS 4 0.208 -4.750 3.524
21 1HB LYS 4 2HB LYS 4 -0.427 -2.516 2.556
22 2HB LYS 4 3HB LYS 4 -0.610 -3.292 0.996
23 1HG LYS 4 2HG LYS 4 -2.060 -4.965 2.732
24 2HG LYS 4 3HG LYS 4 -2.401 -3.356 3.338
25 1HD LYS 4 2HD LYS 4 -2.505 -3.611 0.368
26 2HD LYS 4 3HD LYS 4 -3.721 -4.539 1.222
27 1HE LYS 4 2HE LYS 4 -3.429 -1.820 2.331
28 2HE LYS 4 3HE LYS 4 -3.844 -1.793 0.629
29 1HZ LYS 4 1HZ LYS 4 -5.405 -2.864 2.862
30 2HZ LYS 4 2HZ LYS 4 -5.918 -2.022 1.566
31 H ASP 5 HN ASP 5 1.845 -5.226 0.458
32 HA ASP 5 HA ASP 5 0.156 -7.247 -0.489
33 1HB ASP 5 2HB ASP 5 2.726 -6.013 -1.194
34 2HB ASP 5 3HB ASP 5 2.772 -7.744 -1.463
35 HD2 ASP 5 HD2 ASP 5 1.975 -5.074 -3.456
36 H ALA 6 HN ALA 6 2.813 -7.033 1.847
37 HA ALA 6 HA ALA 6 3.678 -9.689 1.813
38 1HB ALA 6 1HB ALA 6 4.002 -7.272 3.419
39 2HB ALA 6 2HB ALA 6 3.951 -8.731 4.438
40 3HB ALA 6 3HB ALA 6 5.148 -8.602 3.127
41 H PHE 7 HN PHE 7 0.829 -8.082 3.200
42 HA PHE 7 HA PHE 7 0.193 -10.224 4.960
43 1HB PHE 7 2HB PHE 7 -0.614 -7.541 4.336
44 2HB PHE 7 3HB PHE 7 -2.028 -8.521 4.004
45 HD1 PHE 7 HD1 PHE 7 -3.508 -8.859 5.734
46 HD2 PHE 7 HD2 PHE 7 0.571 -8.153 6.667
47 HE1 PHE 7 HE1 PHE 7 -4.063 -8.889 8.182
48 HE2 PHE 7 HE2 PHE 7 0.017 -8.182 9.115
49 HZ PHE 7 HZ PHE 7 -2.293 -8.549 9.843
50 H ILE 8 HN ILE 8 -0.154 -9.649 1.538
51 HA ILE 8 HA ILE 8 -2.491 -11.260 1.214
52 HB ILE 8 HB ILE 8 -0.469 -10.369 -0.842
53 1HG1 ILE 8 2HG1 ILE 8 -1.363 -8.482 0.533
54 2HG1 ILE 8 3HG1 ILE 8 -1.746 -8.385 -1.175
55 1HG2 ILE 8 1HG2 ILE 8 -3.394 -11.077 -1.181
56 2HG2 ILE 8 2HG2 ILE 8 -2.208 -10.700 -2.454
57 3HG2 ILE 8 3HG2 ILE 8 -2.045 -12.193 -1.500
58 1HD1 ILE 8 1HD1 ILE 8 -3.635 -7.979 0.646
59 2HD1 ILE 8 2HD1 ILE 8 -4.014 -8.871 -0.847
60 3HD1 ILE 8 3HD1 ILE 8 -3.710 -9.757 0.666
61 H GLY 9 HN GLY 9 0.976 -11.775 1.518
62 1HA GLY 9 1HA GLY 9 1.079 -14.303 0.211
63 2HA GLY 9 2HA GLY 9 2.266 -13.614 1.301
64 H LEU 10 HN LEU 10 0.562 -13.185 3.609
65 HA LEU 10 HA LEU 10 0.594 -15.851 4.628
66 1HB LEU 10 2HB LEU 10 -0.040 -14.799 6.727
67 2HB LEU 10 3HB LEU 10 1.348 -14.026 5.988
68 HG LEU 10 HG LEU 10 -0.375 -12.314 5.057
69 1HD1 LEU 10 1HD1 LEU 10 -2.153 -14.036 6.375
70 2HD1 LEU 10 2HD1 LEU 10 -2.068 -12.572 7.385
71 3HD1 LEU 10 3HD1 LEU 10 -2.506 -12.442 5.664
72 1HD2 LEU 10 1HD2 LEU 10 0.684 -12.527 7.856
73 2HD2 LEU 10 2HD2 LEU 10 1.173 -11.446 6.528
74 3HD2 LEU 10 3HD2 LEU 10 -0.353 -11.154 7.398
75 H MET 11 HN MET 11 -1.955 -13.355 3.976
76 HA MET 11 HA MET 11 -4.017 -15.144 4.680
77 1HB MET 11 2HB MET 11 -3.690 -12.362 4.053
78 2HB MET 11 3HB MET 11 -4.845 -12.974 2.886
79 1HG MET 11 2HG MET 11 -5.060 -13.259 5.923
80 2HG MET 11 3HG MET 11 -6.000 -12.163 4.930
81 1HE MET 11 1HE MET 11 -7.365 -12.921 2.913
82 2HE MET 11 2HE MET 11 -6.421 -14.284 2.266
83 3HE MET 11 3HE MET 11 -8.123 -14.521 2.729
Start of MODEL 14
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.462 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.930 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.544
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.054 -2.081 1.687
15 HA SER 3 HA SER 3 4.677 -4.739 2.544
16 1HB SER 3 2HB SER 3 4.966 -2.061 3.584
17 2HB SER 3 3HB SER 3 4.074 -3.006 4.759
18 HG SER 3 HG SER 3 6.695 -3.011 4.413
19 H LYS 4 HN LYS 4 1.910 -3.498 1.418
20 HA LYS 4 HA LYS 4 0.117 -4.018 3.576
21 1HB LYS 4 2HB LYS 4 -0.241 -2.362 1.703
22 2HB LYS 4 3HB LYS 4 -0.509 -3.719 0.628
23 1HG LYS 4 2HG LYS 4 -2.369 -4.518 2.103
24 2HG LYS 4 3HG LYS 4 -2.102 -3.158 3.175
25 1HD LYS 4 2HD LYS 4 -3.705 -2.144 1.884
26 2HD LYS 4 3HD LYS 4 -2.360 -1.813 0.811
27 1HE LYS 4 2HE LYS 4 -3.686 -4.488 0.492
28 2HE LYS 4 3HE LYS 4 -4.626 -3.093 0.002
29 1HZ LYS 4 1HZ LYS 4 -2.532 -4.283 -1.406
30 2HZ LYS 4 2HZ LYS 4 -3.376 -2.961 -1.842
31 H ASP 5 HN ASP 5 1.594 -5.848 0.917
32 HA ASP 5 HA ASP 5 -0.257 -7.948 0.994
33 1HB ASP 5 2HB ASP 5 1.325 -9.127 -0.409
34 2HB ASP 5 3HB ASP 5 1.355 -7.441 -0.889
35 HD2 ASP 5 HD2 ASP 5 4.490 -8.737 -1.038
36 H ALA 6 HN ALA 6 3.105 -7.458 2.312
37 HA ALA 6 HA ALA 6 3.356 -9.906 3.579
38 1HB ALA 6 1HB ALA 6 5.362 -9.023 4.099
39 2HB ALA 6 2HB ALA 6 4.832 -7.542 3.267
40 3HB ALA 6 3HB ALA 6 4.613 -7.701 5.026
41 H PHE 7 HN PHE 7 1.462 -7.041 4.389
42 HA PHE 7 HA PHE 7 1.176 -7.696 7.144
43 1HB PHE 7 2HB PHE 7 0.632 -5.571 5.321
44 2HB PHE 7 3HB PHE 7 -0.960 -6.110 5.819
45 HD1 PHE 7 HD1 PHE 7 -1.825 -4.676 7.395
46 HD2 PHE 7 HD2 PHE 7 2.281 -5.719 7.644
47 HE1 PHE 7 HE1 PHE 7 -1.614 -3.342 9.511
48 HE2 PHE 7 HE2 PHE 7 2.492 -4.386 9.760
49 HZ PHE 7 HZ PHE 7 0.542 -3.213 10.669
50 H ILE 8 HN ILE 8 -0.311 -8.745 4.143
51 HA ILE 8 HA ILE 8 -2.779 -9.544 5.338
52 HB ILE 8 HB ILE 8 -1.461 -9.844 2.670
53 1HG1 ILE 8 2HG1 ILE 8 -4.272 -8.936 3.075
54 2HG1 ILE 8 3HG1 ILE 8 -3.003 -7.886 3.673
55 1HG2 ILE 8 1HG2 ILE 8 -3.595 -11.596 3.798
56 2HG2 ILE 8 2HG2 ILE 8 -3.773 -11.035 2.118
57 3HG2 ILE 8 3HG2 ILE 8 -2.325 -11.950 2.602
58 1HD1 ILE 8 1HD1 ILE 8 -3.902 -8.087 1.009
59 2HD1 ILE 8 2HD1 ILE 8 -2.450 -7.226 1.575
60 3HD1 ILE 8 3HD1 ILE 8 -2.324 -8.911 1.015
61 H GLY 9 HN GLY 9 0.467 -10.836 5.068
62 1HA GLY 9 1HA GLY 9 -0.210 -13.593 5.322
63 2HA GLY 9 2HA GLY 9 1.357 -12.849 5.573
64 H LEU 10 HN LEU 10 0.380 -10.872 7.586
65 HA LEU 10 HA LEU 10 0.605 -12.583 9.858
66 1HB LEU 10 2HB LEU 10 1.741 -10.675 10.242
67 2HB LEU 10 3HB LEU 10 0.663 -9.688 9.275
68 HG LEU 10 HG LEU 10 -0.273 -10.763 11.922
69 1HD1 LEU 10 1HD1 LEU 10 0.998 -8.068 11.873
70 2HD1 LEU 10 2HD1 LEU 10 0.842 -9.246 13.198
71 3HD1 LEU 10 3HD1 LEU 10 2.067 -9.490 11.930
72 1HD2 LEU 10 1HD2 LEU 10 -2.083 -9.613 11.358
73 2HD2 LEU 10 2HD2 LEU 10 -1.123 -8.118 11.464
74 3HD2 LEU 10 3HD2 LEU 10 -1.278 -8.967 9.907
75 H MET 11 HN MET 11 -1.976 -10.609 8.304
76 HA MET 11 HA MET 11 -3.830 -11.139 10.356
77 1HB MET 11 2HB MET 11 -3.660 -9.354 8.276
78 2HB MET 11 3HB MET 11 -4.745 -10.522 7.548
79 1HG MET 11 2HG MET 11 -5.754 -10.173 10.171
80 2HG MET 11 3HG MET 11 -5.285 -8.561 9.668
81 1HE MET 11 1HE MET 11 -7.538 -11.757 8.524
82 2HE MET 11 2HE MET 11 -7.870 -10.828 10.006
83 3HE MET 11 3HE MET 11 -8.984 -10.724 8.621
Start of MODEL 15
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 3.497 -3.182 -1.542
8 1HB PRO 2 2HB PRO 2 6.155 -3.005 -0.929
9 2HB PRO 2 3HB PRO 2 5.461 -2.331 -2.391
10 1HG PRO 2 2HG PRO 2 6.353 -0.929 0.054
11 2HG PRO 2 3HG PRO 2 6.065 -0.272 -1.545
12 1HD PRO 2 2HD PRO 2 4.349 -0.040 0.742
13 2HD PRO 2 3HD PRO 2 4.009 0.516 -0.885
14 H SER 3 HN SER 3 4.066 -2.081 1.687
15 HA SER 3 HA SER 3 4.680 -4.742 2.542
16 1HB SER 3 2HB SER 3 4.986 -2.065 3.580
17 2HB SER 3 3HB SER 3 4.095 -3.006 4.759
18 HG SER 3 HG SER 3 5.792 -4.397 5.024
19 H LYS 4 HN LYS 4 1.915 -3.493 1.423
20 HA LYS 4 HA LYS 4 0.119 -3.969 3.579
21 1HB LYS 4 2HB LYS 4 -1.577 -3.382 2.065
22 2HB LYS 4 3HB LYS 4 -0.207 -2.387 1.615
23 1HG LYS 4 2HG LYS 4 -0.827 -3.192 -0.482
24 2HG LYS 4 3HG LYS 4 0.355 -4.403 -0.031
25 1HD LYS 4 2HD LYS 4 -1.317 -5.895 -0.500
26 2HD LYS 4 3HD LYS 4 -1.899 -5.490 1.103
27 1HE LYS 4 2HE LYS 4 -2.761 -3.591 -1.026
28 2HE LYS 4 3HE LYS 4 -3.375 -5.220 -1.223
29 1HZ LYS 4 1HZ LYS 4 -4.927 -4.267 0.196
30 2HZ LYS 4 2HZ LYS 4 -3.950 -4.968 1.294
31 H ASP 5 HN ASP 5 1.463 -5.851 0.848
32 HA ASP 5 HA ASP 5 -0.333 -7.948 1.007
33 1HB ASP 5 2HB ASP 5 1.269 -9.178 -0.322
34 2HB ASP 5 3HB ASP 5 1.348 -7.504 -0.836
35 HD2 ASP 5 HD2 ASP 5 4.526 -9.280 0.723
36 H ALA 6 HN ALA 6 2.992 -7.454 2.413
37 HA ALA 6 HA ALA 6 3.184 -9.868 3.752
38 1HB ALA 6 1HB ALA 6 4.566 -8.040 5.318
39 2HB ALA 6 2HB ALA 6 5.205 -8.865 3.876
40 3HB ALA 6 3HB ALA 6 4.501 -7.237 3.731
41 H PHE 7 HN PHE 7 1.278 -6.976 4.422
42 HA PHE 7 HA PHE 7 0.903 -7.546 7.184
43 1HB PHE 7 2HB PHE 7 0.424 -5.476 5.288
44 2HB PHE 7 3HB PHE 7 -1.186 -6.006 5.730
45 HD1 PHE 7 HD1 PHE 7 -2.194 -5.016 7.555
46 HD2 PHE 7 HD2 PHE 7 2.044 -5.073 7.357
47 HE1 PHE 7 HE1 PHE 7 -2.078 -3.625 9.641
48 HE2 PHE 7 HE2 PHE 7 2.161 -3.682 9.443
49 HZ PHE 7 HZ PHE 7 0.098 -2.975 10.560
50 H ILE 8 HN ILE 8 -0.502 -8.676 4.168
51 HA ILE 8 HA ILE 8 -2.998 -9.450 5.320
52 HB ILE 8 HB ILE 8 -1.626 -10.047 2.703
53 1HG1 ILE 8 2HG1 ILE 8 -2.287 -7.780 2.777
54 2HG1 ILE 8 3HG1 ILE 8 -3.509 -8.610 1.834
55 1HG2 ILE 8 1HG2 ILE 8 -3.904 -11.380 3.950
56 2HG2 ILE 8 2HG2 ILE 8 -4.305 -10.658 2.373
57 3HG2 ILE 8 3HG2 ILE 8 -2.963 -11.819 2.504
58 1HD1 ILE 8 1HD1 ILE 8 -3.713 -7.403 4.574
59 2HD1 ILE 8 2HD1 ILE 8 -4.905 -7.428 3.252
60 3HD1 ILE 8 3HD1 ILE 8 -4.665 -8.874 4.262
61 H GLY 9 HN GLY 9 0.255 -10.737 5.176
62 1HA GLY 9 1HA GLY 9 -0.359 -13.489 5.412
63 2HA GLY 9 2HA GLY 9 1.150 -12.698 5.824
64 H LEU 10 HN LEU 10 0.158 -10.815 7.790
65 HA LEU 10 HA LEU 10 0.021 -12.594 10.017
66 1HB LEU 10 2HB LEU 10 1.204 -10.857 10.729
67 2HB LEU 10 3HB LEU 10 0.566 -9.784 9.499
68 HG LEU 10 HG LEU 10 0.148 -9.154 11.926
69 1HD1 LEU 10 1HD1 LEU 10 -1.483 -7.839 11.167
70 2HD1 LEU 10 2HD1 LEU 10 -1.330 -8.720 9.628
71 3HD1 LEU 10 3HD1 LEU 10 -2.553 -9.219 10.821
72 1HD2 LEU 10 1HD2 LEU 10 -0.821 -11.758 12.103
73 2HD2 LEU 10 2HD2 LEU 10 -0.979 -10.470 13.322
74 3HD2 LEU 10 3HD2 LEU 10 -2.280 -10.739 12.138
75 H MET 11 HN MET 11 -2.184 -10.087 8.589
76 HA MET 11 HA MET 11 -4.261 -10.752 10.359
77 1HB MET 11 2HB MET 11 -3.693 -8.849 8.228
78 2HB MET 11 3HB MET 11 -5.268 -9.554 7.923
79 1HG MET 11 2HG MET 11 -4.371 -8.178 10.500
80 2HG MET 11 3HG MET 11 -5.525 -7.556 9.337
81 1HE MET 11 1HE MET 11 -7.297 -9.442 8.399
82 2HE MET 11 2HE MET 11 -8.498 -9.990 9.593
83 3HE MET 11 3HE MET 11 -8.174 -8.252 9.390
Start of MODEL 16
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 2.534 -3.938 -0.094
8 1HB PRO 2 2HB PRO 2 0.325 -5.541 -0.221
9 2HB PRO 2 3HB PRO 2 1.061 -5.042 1.289
10 1HG PRO 2 2HG PRO 2 -1.433 -4.071 0.033
11 2HG PRO 2 3HG PRO 2 -0.908 -3.911 1.697
12 1HD PRO 2 2HD PRO 2 -0.857 -1.875 -0.322
13 2HD PRO 2 3HD PRO 2 -0.226 -1.751 1.308
14 H SER 3 HN SER 3 0.089 -2.705 -2.206
15 HA SER 3 HA SER 3 0.804 -4.593 -4.231
16 1HB SER 3 2HB SER 3 -1.380 -2.779 -3.705
17 2HB SER 3 3HB SER 3 -0.737 -2.408 -5.293
18 HG SER 3 HG SER 3 -1.209 -4.457 -6.025
19 H LYS 4 HN LYS 4 2.495 -2.139 -2.950
20 HA LYS 4 HA LYS 4 3.056 -0.394 -5.038
21 1HB LYS 4 2HB LYS 4 3.644 -0.229 -2.551
22 2HB LYS 4 3HB LYS 4 5.020 -1.254 -2.906
23 1HG LYS 4 2HG LYS 4 5.815 0.377 -4.614
24 2HG LYS 4 3HG LYS 4 4.419 1.393 -4.311
25 1HD LYS 4 2HD LYS 4 5.212 2.122 -2.240
26 2HD LYS 4 3HD LYS 4 6.094 0.640 -1.928
27 1HE LYS 4 2HE LYS 4 7.399 1.636 -4.185
28 2HE LYS 4 3HE LYS 4 6.984 3.103 -3.320
29 1HZ LYS 4 1HZ LYS 4 8.434 2.591 -1.667
30 2HZ LYS 4 2HZ LYS 4 8.058 1.007 -1.636
31 H ASP 5 HN ASP 5 3.894 -3.759 -4.527
32 HA ASP 5 HA ASP 5 6.204 -3.755 -6.106
33 1HB ASP 5 2HB ASP 5 4.792 -5.592 -4.520
34 2HB ASP 5 3HB ASP 5 4.615 -6.250 -6.134
35 HD2 ASP 5 HD2 ASP 5 7.612 -7.532 -6.356
36 H ALA 6 HN ALA 6 2.713 -3.830 -6.703
37 HA ALA 6 HA ALA 6 2.695 -5.043 -9.220
38 1HB ALA 6 1HB ALA 6 0.761 -2.848 -8.609
39 2HB ALA 6 2HB ALA 6 0.465 -4.507 -9.185
40 3HB ALA 6 3HB ALA 6 0.819 -4.211 -7.466
41 H PHE 7 HN PHE 7 3.576 -1.789 -8.099
42 HA PHE 7 HA PHE 7 3.424 -0.605 -10.679
43 1HB PHE 7 2HB PHE 7 3.801 0.109 -7.933
44 2HB PHE 7 3HB PHE 7 5.306 0.564 -8.708
45 HD1 PHE 7 HD1 PHE 7 4.718 1.691 -11.200
46 HD2 PHE 7 HD2 PHE 7 2.364 1.879 -7.673
47 HE1 PHE 7 HE1 PHE 7 3.653 3.810 -12.023
48 HE2 PHE 7 HE2 PHE 7 1.300 3.997 -8.497
49 HZ PHE 7 HZ PHE 7 1.957 4.938 -10.661
50 H ILE 8 HN ILE 8 5.722 -2.650 -9.018
51 HA ILE 8 HA ILE 8 8.014 -1.700 -10.432
52 HB ILE 8 HB ILE 8 7.400 -3.984 -8.595
53 1HG1 ILE 8 2HG1 ILE 8 9.682 -2.096 -8.248
54 2HG1 ILE 8 3HG1 ILE 8 8.068 -1.442 -8.057
55 1HG2 ILE 8 1HG2 ILE 8 8.819 -5.207 -9.902
56 2HG2 ILE 8 2HG2 ILE 8 9.686 -3.775 -10.506
57 3HG2 ILE 8 3HG2 ILE 8 10.002 -4.379 -8.862
58 1HD1 ILE 8 1HD1 ILE 8 9.554 -2.967 -6.165
59 2HD1 ILE 8 2HD1 ILE 8 7.874 -2.397 -6.015
60 3HD1 ILE 8 3HD1 ILE 8 8.211 -4.005 -6.701
61 H GLY 9 HN GLY 9 5.344 -3.889 -11.056
62 1HA GLY 9 1HA GLY 9 6.607 -5.551 -12.969
63 2HA GLY 9 2HA GLY 9 4.887 -5.288 -12.760
64 H LEU 10 HN LEU 10 4.771 -2.437 -13.158
65 HA LEU 10 HA LEU 10 4.861 -2.409 -16.008
66 1HB LEU 10 2HB LEU 10 3.045 -1.275 -15.302
67 2HB LEU 10 3HB LEU 10 3.809 -0.719 -13.826
68 HG LEU 10 HG LEU 10 4.657 0.436 -16.470
69 1HD1 LEU 10 1HD1 LEU 10 2.250 1.361 -14.877
70 2HD1 LEU 10 2HD1 LEU 10 2.946 2.160 -16.307
71 3HD1 LEU 10 3HD1 LEU 10 2.204 0.550 -16.460
72 1HD2 LEU 10 1HD2 LEU 10 5.232 0.915 -13.695
73 2HD2 LEU 10 2HD2 LEU 10 5.958 1.647 -15.146
74 3HD2 LEU 10 3HD2 LEU 10 4.502 2.369 -14.419
75 H MET 11 HN MET 11 6.719 -0.906 -13.313
76 HA MET 11 HA MET 11 8.354 0.509 -15.179
77 1HB MET 11 2HB MET 11 7.793 0.502 -12.313
78 2HB MET 11 3HB MET 11 9.528 0.412 -12.544
79 1HG MET 11 2HG MET 11 9.437 2.683 -12.794
80 2HG MET 11 3HG MET 11 8.837 2.349 -14.406
81 1HE MET 11 1HE MET 11 7.395 5.050 -14.003
82 2HE MET 11 2HE MET 11 7.373 3.700 -15.162
83 3HE MET 11 3HE MET 11 5.849 4.298 -14.464
Start of MODEL 17
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 2.535 -3.938 -0.094
8 1HB PRO 2 2HB PRO 2 0.325 -5.541 -0.221
9 2HB PRO 2 3HB PRO 2 1.061 -5.042 1.289
10 1HG PRO 2 2HG PRO 2 -1.433 -4.071 0.033
11 2HG PRO 2 3HG PRO 2 -0.908 -3.911 1.697
12 1HD PRO 2 2HD PRO 2 -0.857 -1.875 -0.321
13 2HD PRO 2 3HD PRO 2 -0.226 -1.751 1.308
14 H SER 3 HN SER 3 0.091 -2.703 -2.206
15 HA SER 3 HA SER 3 0.770 -4.598 -4.228
16 1HB SER 3 2HB SER 3 -1.337 -2.667 -3.727
17 2HB SER 3 3HB SER 3 -0.690 -2.400 -5.333
18 HG SER 3 HG SER 3 -1.143 -5.106 -4.639
19 H LYS 4 HN LYS 4 1.881 -1.486 -3.099
20 HA LYS 4 HA LYS 4 2.773 -0.333 -5.452
21 1HB LYS 4 2HB LYS 4 3.421 -0.102 -2.553
22 2HB LYS 4 3HB LYS 4 4.595 0.551 -3.678
23 1HG LYS 4 2HG LYS 4 2.660 1.786 -4.827
24 2HG LYS 4 3HG LYS 4 1.636 1.274 -3.500
25 1HD LYS 4 2HD LYS 4 2.851 2.556 -1.896
26 2HD LYS 4 3HD LYS 4 4.255 2.702 -2.936
27 1HE LYS 4 2HE LYS 4 3.458 4.654 -3.767
28 2HE LYS 4 3HE LYS 4 2.031 3.833 -4.367
29 1HZ LYS 4 1HZ LYS 4 2.295 4.784 -1.565
30 2HZ LYS 4 2HZ LYS 4 1.540 5.630 -2.735
31 H ASP 5 HN ASP 5 3.881 -3.168 -3.710
32 HA ASP 5 HA ASP 5 6.510 -3.123 -4.665
33 1HB ASP 5 2HB ASP 5 4.954 -4.713 -2.936
34 2HB ASP 5 3HB ASP 5 5.359 -5.807 -4.244
35 HD2 ASP 5 HD2 ASP 5 7.215 -3.595 -2.038
36 H ALA 6 HN ALA 6 3.353 -4.093 -5.951
37 HA ALA 6 HA ALA 6 4.180 -5.932 -7.884
38 1HB ALA 6 1HB ALA 6 1.838 -3.990 -7.980
39 2HB ALA 6 2HB ALA 6 1.985 -5.536 -8.850
40 3HB ALA 6 3HB ALA 6 1.840 -5.523 -7.076
41 H PHE 7 HN PHE 7 4.286 -2.385 -7.707
42 HA PHE 7 HA PHE 7 4.688 -2.024 -10.498
43 1HB PHE 7 2HB PHE 7 4.207 -0.513 -8.117
44 2HB PHE 7 3HB PHE 7 5.792 0.012 -8.648
45 HD1 PHE 7 HD1 PHE 7 6.057 1.353 -10.614
46 HD2 PHE 7 HD2 PHE 7 2.238 -0.181 -9.581
47 HE1 PHE 7 HE1 PHE 7 4.988 2.889 -12.287
48 HE2 PHE 7 HE2 PHE 7 1.169 1.355 -11.254
49 HZ PHE 7 HZ PHE 7 2.557 2.871 -12.587
50 H ILE 8 HN ILE 8 6.696 -3.000 -7.809
51 HA ILE 8 HA ILE 8 9.140 -2.024 -8.917
52 HB ILE 8 HB ILE 8 8.323 -3.723 -6.602
53 1HG1 ILE 8 2HG1 ILE 8 10.319 -1.529 -6.413
54 2HG1 ILE 8 3HG1 ILE 8 8.695 -1.057 -6.872
55 1HG2 ILE 8 1HG2 ILE 8 10.114 -5.057 -7.253
56 2HG2 ILE 8 2HG2 ILE 8 11.053 -3.676 -7.870
57 3HG2 ILE 8 3HG2 ILE 8 10.853 -3.904 -6.116
58 1HD1 ILE 8 1HD1 ILE 8 9.592 -1.548 -4.265
59 2HD1 ILE 8 2HD1 ILE 8 7.892 -1.419 -4.777
60 3HD1 ILE 8 3HD1 ILE 8 8.673 -3.016 -4.677
61 H GLY 9 HN GLY 9 7.052 -4.808 -9.369
62 1HA GLY 9 1HA GLY 9 9.044 -6.587 -10.373
63 2HA GLY 9 2HA GLY 9 7.304 -6.732 -10.525
64 H LEU 10 HN LEU 10 7.092 -3.925 -11.710
65 HA LEU 10 HA LEU 10 7.442 -4.746 -14.420
66 1HB LEU 10 2HB LEU 10 5.560 -3.518 -14.246
67 2HB LEU 10 3HB LEU 10 6.179 -2.521 -12.945
68 HG LEU 10 HG LEU 10 7.260 -2.178 -15.730
69 1HD1 LEU 10 1HD1 LEU 10 4.764 -0.788 -14.730
70 2HD1 LEU 10 2HD1 LEU 10 5.533 -0.642 -16.329
71 3HD1 LEU 10 3HD1 LEU 10 4.758 -2.171 -15.850
72 1HD2 LEU 10 1HD2 LEU 10 7.097 0.291 -14.643
73 2HD2 LEU 10 2HD2 LEU 10 7.292 -0.690 -13.171
74 3HD2 LEU 10 3HD2 LEU 10 8.505 -0.784 -14.470
75 H MET 11 HN MET 11 9.028 -2.444 -12.148
76 HA MET 11 HA MET 11 10.771 -1.486 -14.163
77 1HB MET 11 2HB MET 11 10.047 -0.872 -11.433
78 2HB MET 11 3HB MET 11 11.785 -1.097 -11.456
79 1HG MET 11 2HG MET 11 11.605 1.185 -11.996
80 2HG MET 11 3HG MET 11 11.720 0.463 -13.589
81 1HE MET 11 1HE MET 11 8.105 2.002 -11.363
82 2HE MET 11 2HE MET 11 8.020 0.232 -11.530
83 3HE MET 11 3HE MET 11 9.432 0.986 -10.752
Start of MODEL 18
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 2.534 -3.938 -0.094
8 1HB PRO 2 2HB PRO 2 0.325 -5.541 -0.221
9 2HB PRO 2 3HB PRO 2 1.061 -5.042 1.289
10 1HG PRO 2 2HG PRO 2 -1.433 -4.071 0.033
11 2HG PRO 2 3HG PRO 2 -0.908 -3.911 1.697
12 1HD PRO 2 2HD PRO 2 -0.857 -1.874 -0.322
13 2HD PRO 2 3HD PRO 2 -0.226 -1.751 1.308
14 H SER 3 HN SER 3 0.091 -2.703 -2.207
15 HA SER 3 HA SER 3 0.682 -4.609 -4.220
16 1HB SER 3 2HB SER 3 -0.865 -3.314 -5.600
17 2HB SER 3 3HB SER 3 -1.544 -3.507 -3.996
18 HG SER 3 HG SER 3 -1.800 -1.331 -4.621
19 H LYS 4 HN LYS 4 1.755 -1.337 -3.293
20 HA LYS 4 HA LYS 4 2.928 -0.573 -5.692
21 1HB LYS 4 2HB LYS 4 3.486 0.129 -2.805
22 2HB LYS 4 3HB LYS 4 4.381 0.851 -4.128
23 1HG LYS 4 2HG LYS 4 1.821 1.179 -5.059
24 2HG LYS 4 3HG LYS 4 1.521 1.237 -3.333
25 1HD LYS 4 2HD LYS 4 3.655 2.887 -3.384
26 2HD LYS 4 3HD LYS 4 3.144 3.114 -5.044
27 1HE LYS 4 2HE LYS 4 0.776 3.222 -3.414
28 2HE LYS 4 3HE LYS 4 1.982 4.225 -2.633
29 1HZ LYS 4 1HZ LYS 4 0.960 4.489 -5.398
30 2HZ LYS 4 2HZ LYS 4 0.933 5.608 -4.215
31 H ASP 5 HN ASP 5 3.830 -3.004 -3.326
32 HA ASP 5 HA ASP 5 6.561 -3.037 -3.977
33 1HB ASP 5 2HB ASP 5 4.891 -4.250 -2.084
34 2HB ASP 5 3HB ASP 5 5.376 -5.601 -3.089
35 HD2 ASP 5 HD2 ASP 5 8.838 -4.516 -2.309
36 H ALA 6 HN ALA 6 3.568 -4.576 -5.194
37 HA ALA 6 HA ALA 6 4.696 -6.660 -6.651
38 1HB ALA 6 1HB ALA 6 2.182 -5.791 -6.074
39 2HB ALA 6 2HB ALA 6 2.312 -5.279 -7.774
40 3HB ALA 6 3HB ALA 6 2.545 -6.989 -7.338
41 H PHE 7 HN PHE 7 4.501 -3.165 -7.234
42 HA PHE 7 HA PHE 7 5.074 -3.360 -10.013
43 1HB PHE 7 2HB PHE 7 4.632 -1.360 -7.855
44 2HB PHE 7 3HB PHE 7 5.862 -0.827 -8.983
45 HD1 PHE 7 HD1 PHE 7 5.290 -0.125 -11.190
46 HD2 PHE 7 HD2 PHE 7 2.328 -1.828 -8.672
47 HE1 PHE 7 HE1 PHE 7 3.502 0.632 -12.781
48 HE2 PHE 7 HE2 PHE 7 0.541 -1.070 -10.263
49 HZ PHE 7 HZ PHE 7 1.149 0.151 -12.298
50 H ILE 8 HN ILE 8 6.948 -3.557 -7.071
51 HA ILE 8 HA ILE 8 9.379 -2.597 -8.222
52 HB ILE 8 HB ILE 8 8.845 -4.174 -5.702
53 1HG1 ILE 8 2HG1 ILE 8 7.642 -2.056 -5.708
54 2HG1 ILE 8 3HG1 ILE 8 8.960 -2.021 -4.555
55 1HG2 ILE 8 1HG2 ILE 8 11.316 -3.215 -6.975
56 2HG2 ILE 8 2HG2 ILE 8 11.129 -2.730 -5.273
57 3HG2 ILE 8 3HG2 ILE 8 11.067 -4.452 -5.719
58 1HD1 ILE 8 1HD1 ILE 8 8.514 -0.325 -6.886
59 2HD1 ILE 8 2HD1 ILE 8 9.683 -0.124 -5.559
60 3HD1 ILE 8 3HD1 ILE 8 10.109 -1.112 -6.978
61 H GLY 9 HN GLY 9 7.573 -5.606 -8.182
62 1HA GLY 9 1HA GLY 9 9.748 -7.374 -8.637
63 2HA GLY 9 2HA GLY 9 8.048 -7.679 -8.929
64 H LEU 10 HN LEU 10 7.530 -5.467 -10.754
65 HA LEU 10 HA LEU 10 8.455 -6.692 -13.140
66 1HB LEU 10 2HB LEU 10 7.163 -3.995 -13.038
67 2HB LEU 10 3HB LEU 10 7.015 -5.257 -14.244
68 HG LEU 10 HG LEU 10 5.606 -4.943 -11.627
69 1HD1 LEU 10 1HD1 LEU 10 3.998 -6.220 -13.534
70 2HD1 LEU 10 2HD1 LEU 10 3.960 -4.507 -13.051
71 3HD1 LEU 10 3HD1 LEU 10 4.946 -5.018 -14.442
72 1HD2 LEU 10 1HD2 LEU 10 6.110 -7.042 -11.016
73 2HD2 LEU 10 2HD2 LEU 10 4.925 -7.502 -12.262
74 3HD2 LEU 10 3HD2 LEU 10 6.663 -7.499 -12.644
75 H MET 11 HN MET 11 9.446 -3.924 -11.132
76 HA MET 11 HA MET 11 11.139 -2.868 -13.148
77 1HB MET 11 2HB MET 11 10.334 -2.275 -10.345
78 2HB MET 11 3HB MET 11 12.011 -1.875 -10.661
79 1HG MET 11 2HG MET 11 11.008 0.113 -11.345
80 2HG MET 11 3HG MET 11 11.003 -0.749 -12.871
81 1HE MET 11 1HE MET 11 7.542 -0.146 -13.842
82 2HE MET 11 2HE MET 11 9.260 0.275 -14.045
83 3HE MET 11 3HE MET 11 8.740 -1.423 -14.160
Start of MODEL 19
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 2.534 -3.938 -0.094
8 1HB PRO 2 2HB PRO 2 0.325 -5.541 -0.221
9 2HB PRO 2 3HB PRO 2 1.061 -5.042 1.289
10 1HG PRO 2 2HG PRO 2 -1.433 -4.071 0.033
11 2HG PRO 2 3HG PRO 2 -0.908 -3.911 1.697
12 1HD PRO 2 2HD PRO 2 -0.857 -1.875 -0.322
13 2HD PRO 2 3HD PRO 2 -0.226 -1.751 1.308
14 H SER 3 HN SER 3 0.092 -2.702 -2.207
15 HA SER 3 HA SER 3 0.685 -4.608 -4.220
16 1HB SER 3 2HB SER 3 -1.318 -2.629 -3.721
17 2HB SER 3 3HB SER 3 -0.581 -2.209 -5.254
18 HG SER 3 HG SER 3 -1.697 -4.788 -4.544
19 H LYS 4 HN LYS 4 2.208 -1.774 -3.015
20 HA LYS 4 HA LYS 4 3.207 -0.751 -5.465
21 1HB LYS 4 2HB LYS 4 3.049 0.134 -2.856
22 2HB LYS 4 3HB LYS 4 4.761 -0.198 -3.030
23 1HG LYS 4 2HG LYS 4 4.547 2.041 -3.788
24 2HG LYS 4 3HG LYS 4 4.626 1.112 -5.271
25 1HD LYS 4 2HD LYS 4 2.307 1.346 -5.706
26 2HD LYS 4 3HD LYS 4 1.923 1.683 -4.029
27 1HE LYS 4 2HE LYS 4 2.430 3.928 -4.215
28 2HE LYS 4 3HE LYS 4 3.786 3.644 -5.289
29 1HZ LYS 4 1HZ LYS 4 1.381 4.582 -6.091
30 2HZ LYS 4 2HZ LYS 4 2.457 3.882 -7.092
31 H ASP 5 HN ASP 5 4.015 -3.441 -3.367
32 HA ASP 5 HA ASP 5 6.714 -3.604 -4.089
33 1HB ASP 5 2HB ASP 5 4.710 -5.230 -2.640
34 2HB ASP 5 3HB ASP 5 5.878 -6.215 -3.498
35 HD2 ASP 5 HD2 ASP 5 6.197 -3.863 -0.540
36 H ALA 6 HN ALA 6 3.625 -4.575 -5.531
37 HA ALA 6 HA ALA 6 4.514 -6.639 -7.189
38 1HB ALA 6 1HB ALA 6 2.318 -6.671 -7.672
39 2HB ALA 6 2HB ALA 6 2.124 -5.244 -6.627
40 3HB ALA 6 3HB ALA 6 2.399 -5.036 -8.373
41 H PHE 7 HN PHE 7 4.772 -3.101 -7.367
42 HA PHE 7 HA PHE 7 5.414 -3.058 -10.138
43 1HB PHE 7 2HB PHE 7 4.821 -1.282 -7.962
44 2HB PHE 7 3HB PHE 7 6.451 -0.862 -8.450
45 HD1 PHE 7 HD1 PHE 7 2.952 -0.672 -9.288
46 HD2 PHE 7 HD2 PHE 7 6.876 -0.155 -10.818
47 HE1 PHE 7 HE1 PHE 7 2.033 0.693 -11.185
48 HE2 PHE 7 HE2 PHE 7 5.958 1.209 -12.714
49 HZ PHE 7 HZ PHE 7 3.547 1.617 -12.875
50 H ILE 8 HN ILE 8 7.142 -3.838 -7.211
51 HA ILE 8 HA ILE 8 9.712 -3.052 -8.180
52 HB ILE 8 HB ILE 8 8.708 -4.634 -5.829
53 1HG1 ILE 8 2HG1 ILE 8 10.392 -2.163 -5.675
54 2HG1 ILE 8 3HG1 ILE 8 8.713 -1.996 -6.146
55 1HG2 ILE 8 1HG2 ILE 8 11.494 -4.438 -6.896
56 2HG2 ILE 8 2HG2 ILE 8 11.243 -4.382 -5.135
57 3HG2 ILE 8 3HG2 ILE 8 10.671 -5.783 -6.072
58 1HD1 ILE 8 1HD1 ILE 8 8.765 -3.817 -3.934
59 2HD1 ILE 8 2HD1 ILE 8 9.800 -2.433 -3.509
60 3HD1 ILE 8 3HD1 ILE 8 8.103 -2.165 -3.976
61 H GLY 9 HN GLY 9 7.564 -5.817 -8.515
62 1HA GLY 9 1HA GLY 9 9.555 -7.740 -9.185
63 2HA GLY 9 2HA GLY 9 7.830 -7.843 -9.473
64 H LEU 10 HN LEU 10 7.489 -5.426 -11.040
65 HA LEU 10 HA LEU 10 8.371 -6.453 -13.553
66 1HB LEU 10 2HB LEU 10 7.105 -4.597 -14.483
67 2HB LEU 10 3HB LEU 10 6.171 -5.527 -13.328
68 HG LEU 10 HG LEU 10 6.864 -3.692 -11.619
69 1HD1 LEU 10 1HD1 LEU 10 8.014 -1.923 -12.303
70 2HD1 LEU 10 2HD1 LEU 10 8.251 -2.738 -13.867
71 3HD1 LEU 10 3HD1 LEU 10 6.875 -1.631 -13.639
72 1HD2 LEU 10 1HD2 LEU 10 4.807 -3.494 -13.795
73 2HD2 LEU 10 2HD2 LEU 10 4.603 -3.831 -12.059
74 3HD2 LEU 10 3HD2 LEU 10 4.981 -2.180 -12.608
75 H MET 11 HN MET 11 9.032 -3.474 -11.594
76 HA MET 11 HA MET 11 10.964 -2.570 -13.432
77 1HB MET 11 2HB MET 11 9.591 -1.615 -11.110
78 2HB MET 11 3HB MET 11 11.291 -1.560 -10.687
79 1HG MET 11 2HG MET 11 11.461 0.373 -11.868
80 2HG MET 11 3HG MET 11 11.188 -0.548 -13.333
81 1HE MET 11 1HE MET 11 8.061 0.752 -14.655
82 2HE MET 11 2HE MET 11 9.753 1.297 -14.739
83 3HE MET 11 3HE MET 11 9.377 -0.443 -14.748
Start of MODEL 20
1 HN PCA 1 HN PCA 1 -0.548 0.000 -0.849
2 HA PCA 1 HA PCA 1 1.817 0.727 -0.727
3 1HB PCA 1 3HB PCA 1 2.727 -0.082 1.804
4 2HB PCA 1 2HB PCA 1 2.022 1.518 1.423
5 1HG PCA 1 3HG PCA 1 0.689 -0.828 2.747
6 2HG PCA 1 2HG PCA 1 0.412 0.925 2.993
7 HA PRO 2 HA PRO 2 2.534 -3.938 -0.094
8 1HB PRO 2 2HB PRO 2 0.325 -5.541 -0.221
9 2HB PRO 2 3HB PRO 2 1.061 -5.042 1.289
10 1HG PRO 2 2HG PRO 2 -1.433 -4.071 0.033
11 2HG PRO 2 3HG PRO 2 -0.908 -3.911 1.697
12 1HD PRO 2 2HD PRO 2 -0.857 -1.875 -0.322
13 2HD PRO 2 3HD PRO 2 -0.226 -1.751 1.308
14 H SER 3 HN SER 3 0.092 -2.702 -2.207
15 HA SER 3 HA SER 3 0.778 -4.596 -4.229
16 1HB SER 3 2HB SER 3 -1.359 -2.726 -3.713
17 2HB SER 3 3HB SER 3 -0.701 -2.373 -5.298
18 HG SER 3 HG SER 3 -1.011 -4.613 -5.885
19 H LYS 4 HN LYS 4 2.534 -2.191 -2.948
20 HA LYS 4 HA LYS 4 3.184 -0.656 -5.264
21 1HB LYS 4 2HB LYS 4 4.402 -0.892 -2.503
22 2HB LYS 4 3HB LYS 4 5.053 0.158 -3.745
23 1HG LYS 4 2HG LYS 4 2.103 0.292 -3.044
24 2HG LYS 4 3HG LYS 4 3.280 1.112 -2.036
25 1HD LYS 4 2HD LYS 4 3.212 2.844 -3.499
26 2HD LYS 4 3HD LYS 4 4.034 1.819 -4.659
27 1HE LYS 4 2HE LYS 4 1.939 1.076 -5.631
28 2HE LYS 4 3HE LYS 4 1.005 1.762 -4.316
29 1HZ LYS 4 1HZ LYS 4 1.245 3.873 -5.163
30 2HZ LYS 4 2HZ LYS 4 2.704 3.602 -5.833
31 H ASP 5 HN ASP 5 4.398 -3.597 -3.640
32 HA ASP 5 HA ASP 5 6.831 -3.704 -4.948
33 1HB ASP 5 2HB ASP 5 6.900 -6.021 -4.240
34 2HB ASP 5 3HB ASP 5 6.110 -5.104 -2.973
35 HD2 ASP 5 HD2 ASP 5 5.324 -7.993 -4.943
36 H ALA 6 HN ALA 6 3.612 -5.269 -5.634
37 HA ALA 6 HA ALA 6 4.345 -6.613 -7.940
38 1HB ALA 6 1HB ALA 6 2.226 -7.295 -7.655
39 2HB ALA 6 2HB ALA 6 1.983 -6.026 -6.430
40 3HB ALA 6 3HB ALA 6 1.637 -5.688 -8.143
41 H PHE 7 HN PHE 7 3.777 -3.187 -7.318
42 HA PHE 7 HA PHE 7 3.293 -2.507 -10.038
43 1HB PHE 7 2HB PHE 7 3.183 -1.354 -7.436
44 2HB PHE 7 3HB PHE 7 4.467 -0.461 -8.226
45 HD1 PHE 7 HD1 PHE 7 1.042 -1.694 -9.094
46 HD2 PHE 7 HD2 PHE 7 3.834 1.497 -9.244
47 HE1 PHE 7 HE1 PHE 7 -0.666 -0.254 -10.239
48 HE2 PHE 7 HE2 PHE 7 2.127 2.937 -10.389
49 HZ PHE 7 HZ PHE 7 -0.103 2.044 -10.873
50 H ILE 8 HN ILE 8 6.133 -3.157 -8.075
51 HA ILE 8 HA ILE 8 7.916 -1.606 -9.678
52 HB ILE 8 HB ILE 8 8.304 -3.712 -7.556
53 1HG1 ILE 8 2HG1 ILE 8 7.439 -1.734 -6.594
54 2HG1 ILE 8 3HG1 ILE 8 9.162 -1.713 -6.279
55 1HG2 ILE 8 1HG2 ILE 8 10.288 -4.025 -8.624
56 2HG2 ILE 8 2HG2 ILE 8 10.278 -2.408 -9.369
57 3HG2 ILE 8 3HG2 ILE 8 10.717 -2.595 -7.655
58 1HD1 ILE 8 1HD1 ILE 8 7.603 -0.087 -8.314
59 2HD1 ILE 8 2HD1 ILE 8 8.694 0.489 -7.030
60 3HD1 ILE 8 3HD1 ILE 8 9.362 -0.313 -8.472
61 H GLY 9 HN GLY 9 6.392 -4.756 -9.867
62 1HA GLY 9 1HA GLY 9 8.341 -6.041 -11.485
63 2HA GLY 9 2HA GLY 9 6.665 -6.503 -11.265
64 H LEU 10 HN LEU 10 5.391 -4.055 -12.139
65 HA LEU 10 HA LEU 10 5.456 -4.518 -14.928
66 1HB LEU 10 2HB LEU 10 4.181 -2.121 -13.670
67 2HB LEU 10 3HB LEU 10 3.657 -3.069 -15.048
68 HG LEU 10 HG LEU 10 3.281 -3.577 -12.126
69 1HD1 LEU 10 1HD1 LEU 10 1.375 -2.679 -13.082
70 2HD1 LEU 10 2HD1 LEU 10 1.588 -3.570 -14.608
71 3HD1 LEU 10 3HD1 LEU 10 1.045 -4.427 -13.145
72 1HD2 LEU 10 1HD2 LEU 10 4.037 -5.680 -12.302
73 2HD2 LEU 10 2HD2 LEU 10 2.519 -5.979 -13.182
74 3HD2 LEU 10 3HD2 LEU 10 4.018 -5.649 -14.082
75 H MET 11 HN MET 11 6.995 -2.200 -12.707
76 HA MET 11 HA MET 11 7.870 -0.577 -14.900
77 1HB MET 11 2HB MET 11 7.498 -0.281 -12.080
78 2HB MET 11 3HB MET 11 9.225 -0.123 -12.327
79 1HG MET 11 2HG MET 11 8.695 2.070 -12.783
80 2HG MET 11 3HG MET 11 8.346 1.448 -14.383
81 1HE MET 11 1HE MET 11 6.883 3.617 -14.662
82 2HE MET 11 2HE MET 11 6.238 2.188 -15.504
83 3HE MET 11 3HE MET 11 5.136 3.279 -14.630
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