Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640116 | 6rsm RC | 34406 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 2.927 -0.677 -1.116
3 HB2 LYS 1 HB2 LYS 1 0.229 -0.690 -2.030
4 HB3 LYS 1 HB3 LYS 1 1.171 0.287 -3.149
5 HG2 LYS 1 HG2 LYS 1 2.514 -1.486 -3.774
6 HG3 LYS 1 HG3 LYS 1 2.168 -2.399 -2.304
7 HD2 LYS 1 HD2 LYS 1 0.849 -3.561 -3.749
8 HD3 LYS 1 HD3 LYS 1 -0.300 -2.299 -3.300
9 HE2 LYS 1 HE2 LYS 1 -0.128 -1.235 -5.317
10 HE3 LYS 1 HE3 LYS 1 1.527 -1.781 -5.587
11 HZ1 LYS 1 HZ1 LYS 1 -0.947 -3.396 -5.874
12 HZ2 LYS 1 HZ2 LYS 1 0.089 -2.893 -7.113
13 HZ3 LYS 1 HZ3 LYS 1 0.617 -4.031 -5.978
14 H PHE 2 H PHE 2 4.183 0.606 -2.539
15 HA PHE 2 HA PHE 2 4.052 3.454 -1.903
16 HB2 PHE 2 HB2 PHE 2 6.229 1.869 -3.283
17 HB3 PHE 2 HB3 PHE 2 6.337 3.557 -2.793
18 HD1 PHE 2 HD1 PHE 2 6.599 4.164 -0.466
19 HD2 PHE 2 HD2 PHE 2 6.351 0.086 -1.662
20 HE1 PHE 2 HE1 PHE 2 7.446 3.470 1.737
21 HE2 PHE 2 HE2 PHE 2 7.197 -0.614 0.540
22 HZ PHE 2 HZ PHE 2 7.745 1.078 2.243
23 H LYS 3 H LYS 3 3.540 4.991 -3.340
24 HA LYS 3 HA LYS 3 2.732 4.140 -6.011
25 HB2 LYS 3 HB2 LYS 3 1.596 6.281 -6.159
26 HB3 LYS 3 HB3 LYS 3 1.172 5.485 -4.649
27 HG2 LYS 3 HG2 LYS 3 3.474 7.273 -4.440
28 HG3 LYS 3 HG3 LYS 3 1.970 8.077 -4.897
29 HD2 LYS 3 HD2 LYS 3 2.263 6.219 -2.538
30 HD3 LYS 3 HD3 LYS 3 2.360 7.979 -2.438
31 HE2 LYS 3 HE2 LYS 3 0.022 7.569 -3.823
32 HE3 LYS 3 HE3 LYS 3 0.031 6.235 -2.670
33 HZ1 LYS 3 HZ1 LYS 3 -0.583 7.636 -1.091
34 HZ2 LYS 3 HZ2 LYS 3 0.803 8.576 -1.335
35 HZ3 LYS 3 HZ3 LYS 3 -0.611 8.912 -2.202
36 H LYS 4 H LYS 4 5.475 4.113 -5.663
37 HA LYS 4 HA LYS 4 6.812 6.472 -6.380
38 HB2 LYS 4 HB2 LYS 4 7.543 3.582 -6.876
39 HB3 LYS 4 HB3 LYS 4 8.634 4.935 -7.144
40 HG2 LYS 4 HG2 LYS 4 8.793 5.412 -4.864
41 HG3 LYS 4 HG3 LYS 4 7.355 4.465 -4.475
42 HD2 LYS 4 HD2 LYS 4 8.638 2.695 -4.075
43 HD3 LYS 4 HD3 LYS 4 9.210 2.736 -5.744
44 HE2 LYS 4 HE2 LYS 4 10.736 4.676 -4.762
45 HE3 LYS 4 HE3 LYS 4 10.473 3.781 -3.267
46 HZ1 LYS 4 HZ1 LYS 4 12.013 2.349 -3.909
47 HZ2 LYS 4 HZ2 LYS 4 11.097 1.941 -5.273
48 HZ3 LYS 4 HZ3 LYS 4 12.238 3.187 -5.362
49 H VAL 5 H VAL 5 8.162 6.482 -8.535
50 HA VAL 5 HA VAL 5 6.191 6.457 -10.693
51 HB VAL 5 HB VAL 5 8.979 7.614 -10.749
52 HG11 VAL 5 HG11 VAL 5 6.933 8.827 -12.420
53 HG12 VAL 5 HG12 VAL 5 8.550 8.262 -12.841
54 HG13 VAL 5 HG13 VAL 5 7.201 7.126 -12.802
55 HG21 VAL 5 HG21 VAL 5 7.469 9.790 -10.565
56 HG22 VAL 5 HG22 VAL 5 6.429 8.683 -9.668
57 HG23 VAL 5 HG23 VAL 5 8.089 8.958 -9.138
58 H ILE 6 H ILE 6 6.252 5.077 -12.356
59 HA ILE 6 HA ILE 6 8.369 3.067 -12.395
60 HB ILE 6 HB ILE 6 5.923 3.069 -14.145
61 HG12 ILE 6 HG12 ILE 6 5.206 1.385 -12.182
62 HG13 ILE 6 HG13 ILE 6 6.169 2.514 -11.236
63 HG21 ILE 6 HG21 ILE 6 7.014 0.570 -13.070
64 HG22 ILE 6 HG22 ILE 6 6.515 0.980 -14.711
65 HG23 ILE 6 HG23 ILE 6 8.111 1.455 -14.131
66 HD11 ILE 6 HD11 ILE 6 4.182 3.692 -13.070
67 HD12 ILE 6 HD12 ILE 6 3.559 2.822 -11.668
68 HD13 ILE 6 HD13 ILE 6 4.663 4.178 -11.444
69 H TRP 7 H TRP 7 8.923 5.756 -13.326
70 HA TRP 7 HA TRP 7 8.870 5.937 -16.134
71 HB2 TRP 7 HB2 TRP 7 9.255 7.908 -14.790
72 HB3 TRP 7 HB3 TRP 7 10.722 7.209 -14.110
73 HD1 TRP 7 HD1 TRP 7 12.737 8.440 -15.076
74 HE1 TRP 7 HE1 TRP 7 13.435 9.318 -17.392
75 HE3 TRP 7 HE3 TRP 7 8.517 7.244 -17.702
76 HZ2 TRP 7 HZ2 TRP 7 12.341 9.482 -19.989
77 HZ3 TRP 7 HZ3 TRP 7 8.423 7.796 -20.098
78 HH2 TRP 7 HH2 TRP 7 10.296 8.893 -21.216
79 H LYS 8 H LYS 8 11.184 4.516 -13.897
80 HA LYS 8 HA LYS 8 13.341 4.117 -15.598
81 HB2 LYS 8 HB2 LYS 8 13.853 2.134 -14.119
82 HB3 LYS 8 HB3 LYS 8 13.621 3.663 -13.280
83 HG2 LYS 8 HG2 LYS 8 11.105 2.353 -13.463
84 HG3 LYS 8 HG3 LYS 8 12.298 1.202 -12.856
85 HD2 LYS 8 HD2 LYS 8 11.992 3.980 -11.736
86 HD3 LYS 8 HD3 LYS 8 11.092 2.594 -11.114
87 HE2 LYS 8 HE2 LYS 8 13.084 1.492 -10.447
88 HE3 LYS 8 HE3 LYS 8 14.093 2.630 -11.337
89 HZ1 LYS 8 HZ1 LYS 8 12.609 4.152 -9.583
90 HZ2 LYS 8 HZ2 LYS 8 13.112 2.811 -8.683
91 HZ3 LYS 8 HZ3 LYS 8 14.255 3.781 -9.466
92 H SER 9 H SER 9 10.358 2.290 -15.271
93 HA SER 9 HA SER 9 11.244 0.199 -17.059
94 HB2 SER 9 HB2 SER 9 8.411 0.682 -16.139
95 HB3 SER 9 HB3 SER 9 9.144 -0.836 -16.657
96 HG SER 9 HG SER 9 9.807 -1.138 -14.694
97 H PHE 10 H PHE 10 9.218 3.067 -17.198
98 HA PHE 10 HA PHE 10 8.075 2.605 -19.732
99 HB2 PHE 10 HB2 PHE 10 8.435 4.970 -17.959
100 HB3 PHE 10 HB3 PHE 10 8.040 5.273 -19.648
101 HD1 PHE 10 HD1 PHE 10 6.923 2.762 -17.119
102 HD2 PHE 10 HD2 PHE 10 5.825 5.777 -19.915
103 HE1 PHE 10 HE1 PHE 10 4.548 2.343 -16.632
104 HE2 PHE 10 HE2 PHE 10 3.448 5.365 -19.432
105 HZ PHE 10 HZ PHE 10 2.807 3.646 -17.788
106 H LEU 11 H LEU 11 11.036 4.260 -18.732
107 HA LEU 11 HA LEU 11 11.814 5.390 -21.127
108 HB2 LEU 11 HB2 LEU 11 12.939 5.038 -18.639
109 HB3 LEU 11 HB3 LEU 11 14.026 4.141 -19.698
110 HG LEU 11 HG LEU 11 13.303 7.060 -19.951
111 HD11 LEU 11 HD11 LEU 11 15.487 7.539 -19.197
112 HD12 LEU 11 HD12 LEU 11 14.826 6.366 -18.058
113 HD13 LEU 11 HD13 LEU 11 15.974 5.847 -19.293
114 HD21 LEU 11 HD21 LEU 11 13.876 6.801 -22.090
115 HD22 LEU 11 HD22 LEU 11 15.521 6.540 -21.509
116 HD23 LEU 11 HD23 LEU 11 14.466 5.161 -21.818
Start of MODEL 2
1 H1 LYS 1 H LYS 1 5.349 -1.456 -6.509
2 HA LYS 1 HA LYS 1 2.534 -1.448 -5.986
3 HB2 LYS 1 HB2 LYS 1 4.906 -2.614 -4.824
4 HB3 LYS 1 HB3 LYS 1 3.900 -1.899 -3.571
5 HG2 LYS 1 HG2 LYS 1 2.837 -3.802 -5.640
6 HG3 LYS 1 HG3 LYS 1 3.470 -4.321 -4.076
7 HD2 LYS 1 HD2 LYS 1 1.431 -3.987 -3.244
8 HD3 LYS 1 HD3 LYS 1 1.693 -2.258 -3.482
9 HE2 LYS 1 HE2 LYS 1 -0.382 -2.889 -4.524
10 HE3 LYS 1 HE3 LYS 1 0.790 -2.485 -5.777
11 HZ1 LYS 1 HZ1 LYS 1 0.621 -4.511 -6.627
12 HZ2 LYS 1 HZ2 LYS 1 0.887 -5.252 -5.129
13 HZ3 LYS 1 HZ3 LYS 1 -0.679 -4.798 -5.583
14 H PHE 2 H PHE 2 5.293 0.484 -4.955
15 HA PHE 2 HA PHE 2 3.933 1.963 -2.961
16 HB2 PHE 2 HB2 PHE 2 6.442 2.490 -4.549
17 HB3 PHE 2 HB3 PHE 2 5.846 3.617 -3.335
18 HD1 PHE 2 HD1 PHE 2 6.397 3.334 -1.098
19 HD2 PHE 2 HD2 PHE 2 6.894 0.086 -3.804
20 HE1 PHE 2 HE1 PHE 2 7.546 2.050 0.659
21 HE2 PHE 2 HE2 PHE 2 8.043 -1.203 -2.051
22 HZ PHE 2 HZ PHE 2 8.370 -0.222 0.184
23 H LYS 3 H LYS 3 3.793 4.447 -3.174
24 HA LYS 3 HA LYS 3 2.169 5.000 -5.547
25 HB2 LYS 3 HB2 LYS 3 1.277 6.889 -4.268
26 HB3 LYS 3 HB3 LYS 3 1.117 5.386 -3.370
27 HG2 LYS 3 HG2 LYS 3 3.547 6.347 -2.525
28 HG3 LYS 3 HG3 LYS 3 2.578 7.811 -2.711
29 HD2 LYS 3 HD2 LYS 3 2.230 7.084 -0.491
30 HD3 LYS 3 HD3 LYS 3 0.778 6.619 -1.380
31 HE2 LYS 3 HE2 LYS 3 2.767 4.536 -1.497
32 HE3 LYS 3 HE3 LYS 3 2.421 4.975 0.175
33 HZ1 LYS 3 HZ1 LYS 3 -0.036 4.852 -0.972
34 HZ2 LYS 3 HZ2 LYS 3 0.785 3.575 -1.718
35 HZ3 LYS 3 HZ3 LYS 3 0.671 3.637 -0.031
36 H LYS 4 H LYS 4 4.942 4.958 -5.937
37 HA LYS 4 HA LYS 4 5.545 7.816 -6.333
38 HB2 LYS 4 HB2 LYS 4 7.878 7.318 -6.162
39 HB3 LYS 4 HB3 LYS 4 7.080 6.577 -4.782
40 HG2 LYS 4 HG2 LYS 4 7.069 4.605 -6.740
41 HG3 LYS 4 HG3 LYS 4 8.657 5.365 -6.869
42 HD2 LYS 4 HD2 LYS 4 7.531 4.556 -4.208
43 HD3 LYS 4 HD3 LYS 4 8.369 3.392 -5.237
44 HE2 LYS 4 HE2 LYS 4 10.382 4.275 -4.791
45 HE3 LYS 4 HE3 LYS 4 9.788 5.930 -4.918
46 HZ1 LYS 4 HZ1 LYS 4 10.346 4.442 -2.599
47 HZ2 LYS 4 HZ2 LYS 4 9.855 6.056 -2.723
48 HZ3 LYS 4 HZ3 LYS 4 8.699 4.827 -2.605
49 H VAL 5 H VAL 5 7.129 8.141 -8.216
50 HA VAL 5 HA VAL 5 6.160 6.551 -10.498
51 HB VAL 5 HB VAL 5 7.243 9.372 -10.494
52 HG11 VAL 5 HG11 VAL 5 6.289 7.553 -12.680
53 HG12 VAL 5 HG12 VAL 5 6.240 9.308 -12.854
54 HG13 VAL 5 HG13 VAL 5 7.780 8.490 -12.590
55 HG21 VAL 5 HG21 VAL 5 4.478 8.241 -10.456
56 HG22 VAL 5 HG22 VAL 5 5.143 9.612 -9.567
57 HG23 VAL 5 HG23 VAL 5 4.788 9.765 -11.288
58 H ILE 6 H ILE 6 7.586 5.706 -11.966
59 HA ILE 6 HA ILE 6 10.434 6.261 -11.670
60 HB ILE 6 HB ILE 6 9.916 3.393 -11.941
61 HG12 ILE 6 HG12 ILE 6 9.197 4.833 -9.382
62 HG13 ILE 6 HG13 ILE 6 8.137 3.829 -10.366
63 HG21 ILE 6 HG21 ILE 6 12.119 4.643 -11.604
64 HG22 ILE 6 HG22 ILE 6 11.634 4.788 -9.915
65 HG23 ILE 6 HG23 ILE 6 11.850 3.193 -10.637
66 HD11 ILE 6 HD11 ILE 6 9.518 1.878 -9.827
67 HD12 ILE 6 HD12 ILE 6 10.534 2.895 -8.806
68 HD13 ILE 6 HD13 ILE 6 8.840 2.640 -8.388
69 H TRP 7 H TRP 7 10.784 6.989 -13.686
70 HA TRP 7 HA TRP 7 9.472 6.126 -16.007
71 HB2 TRP 7 HB2 TRP 7 10.614 8.255 -15.960
72 HB3 TRP 7 HB3 TRP 7 12.160 7.466 -15.660
73 HD1 TRP 7 HD1 TRP 7 13.570 7.735 -17.775
74 HE1 TRP 7 HE1 TRP 7 13.183 7.442 -20.302
75 HE3 TRP 7 HE3 TRP 7 8.566 6.688 -17.713
76 HZ2 TRP 7 HZ2 TRP 7 11.040 6.846 -22.040
77 HZ3 TRP 7 HZ3 TRP 7 7.423 6.269 -19.852
78 HH2 TRP 7 HH2 TRP 7 8.636 6.347 -21.969
79 H LYS 8 H LYS 8 12.511 5.094 -14.530
80 HA LYS 8 HA LYS 8 13.533 3.489 -16.530
81 HB2 LYS 8 HB2 LYS 8 14.727 2.292 -14.799
82 HB3 LYS 8 HB3 LYS 8 14.681 4.003 -14.395
83 HG2 LYS 8 HG2 LYS 8 12.548 3.280 -13.033
84 HG3 LYS 8 HG3 LYS 8 13.337 1.701 -13.081
85 HD2 LYS 8 HD2 LYS 8 14.716 4.221 -12.170
86 HD3 LYS 8 HD3 LYS 8 13.877 3.121 -11.073
87 HE2 LYS 8 HE2 LYS 8 16.034 2.177 -12.939
88 HE3 LYS 8 HE3 LYS 8 16.401 2.825 -11.342
89 HZ1 LYS 8 HZ1 LYS 8 15.403 1.057 -10.296
90 HZ2 LYS 8 HZ2 LYS 8 14.417 0.671 -11.615
91 HZ3 LYS 8 HZ3 LYS 8 16.065 0.294 -11.652
92 H SER 9 H SER 9 10.939 2.816 -14.259
93 HA SER 9 HA SER 9 10.700 0.061 -15.124
94 HB2 SER 9 HB2 SER 9 10.251 0.886 -12.752
95 HB3 SER 9 HB3 SER 9 8.755 1.577 -13.381
96 HG SER 9 HG SER 9 8.486 -0.547 -12.515
97 H PHE 10 H PHE 10 9.055 3.129 -15.606
98 HA PHE 10 HA PHE 10 6.751 2.174 -16.888
99 HB2 PHE 10 HB2 PHE 10 8.181 4.777 -16.750
100 HB3 PHE 10 HB3 PHE 10 7.021 4.569 -18.058
101 HD1 PHE 10 HD1 PHE 10 6.993 3.429 -14.510
102 HD2 PHE 10 HD2 PHE 10 5.128 5.767 -17.539
103 HE1 PHE 10 HE1 PHE 10 5.158 3.966 -12.961
104 HE2 PHE 10 HE2 PHE 10 3.291 6.309 -15.994
105 HZ PHE 10 HZ PHE 10 3.305 5.409 -13.702
106 H LEU 11 H LEU 11 9.955 2.968 -18.124
107 HA LEU 11 HA LEU 11 9.430 2.873 -20.857
108 HB2 LEU 11 HB2 LEU 11 11.660 3.170 -19.261
109 HB3 LEU 11 HB3 LEU 11 11.977 1.666 -20.124
110 HG LEU 11 HG LEU 11 11.382 4.335 -21.403
111 HD11 LEU 11 HD11 LEU 11 13.794 4.013 -22.185
112 HD12 LEU 11 HD12 LEU 11 13.536 4.517 -20.514
113 HD13 LEU 11 HD13 LEU 11 13.928 2.837 -20.878
114 HD21 LEU 11 HD21 LEU 11 11.692 1.573 -22.450
115 HD22 LEU 11 HD22 LEU 11 10.670 2.893 -23.018
116 HD23 LEU 11 HD23 LEU 11 12.395 2.895 -23.382
Start of MODEL 3
1 H1 LYS 1 H LYS 1 2.384 5.512 0.410
2 HA LYS 1 HA LYS 1 0.649 4.776 -1.853
3 HB2 LYS 1 HB2 LYS 1 2.814 6.798 -1.523
4 HB3 LYS 1 HB3 LYS 1 2.625 6.045 -3.101
5 HG2 LYS 1 HG2 LYS 1 1.367 8.032 -3.163
6 HG3 LYS 1 HG3 LYS 1 0.198 6.720 -3.001
7 HD2 LYS 1 HD2 LYS 1 0.087 7.145 -0.580
8 HD3 LYS 1 HD3 LYS 1 1.222 8.482 -0.773
9 HE2 LYS 1 HE2 LYS 1 -0.561 9.273 -2.552
10 HE3 LYS 1 HE3 LYS 1 -1.637 8.275 -1.575
11 HZ1 LYS 1 HZ1 LYS 1 -1.801 10.344 -0.596
12 HZ2 LYS 1 HZ2 LYS 1 -0.641 9.590 0.377
13 HZ3 LYS 1 HZ3 LYS 1 -0.161 10.706 -0.801
14 H PHE 2 H PHE 2 1.028 2.590 -1.952
15 HA PHE 2 HA PHE 2 3.657 1.473 -1.806
16 HB2 PHE 2 HB2 PHE 2 0.998 0.318 -2.655
17 HB3 PHE 2 HB3 PHE 2 2.484 -0.624 -2.592
18 HD1 PHE 2 HD1 PHE 2 3.793 -0.067 -0.208
19 HD2 PHE 2 HD2 PHE 2 -0.406 -0.108 -0.905
20 HE1 PHE 2 HE1 PHE 2 3.405 -0.523 2.179
21 HE2 PHE 2 HE2 PHE 2 -0.801 -0.563 1.480
22 HZ PHE 2 HZ PHE 2 1.106 -0.770 3.026
23 H LYS 3 H LYS 3 4.775 0.376 -3.505
24 HA LYS 3 HA LYS 3 5.791 0.376 -5.546
25 HB2 LYS 3 HB2 LYS 3 3.054 0.645 -6.761
26 HB3 LYS 3 HB3 LYS 3 4.438 -0.262 -7.359
27 HG2 LYS 3 HG2 LYS 3 2.658 -0.949 -5.036
28 HG3 LYS 3 HG3 LYS 3 2.845 -1.826 -6.557
29 HD2 LYS 3 HD2 LYS 3 4.945 -1.481 -4.416
30 HD3 LYS 3 HD3 LYS 3 4.047 -2.958 -4.773
31 HE2 LYS 3 HE2 LYS 3 5.119 -2.247 -7.215
32 HE3 LYS 3 HE3 LYS 3 6.398 -1.836 -6.073
33 HZ1 LYS 3 HZ1 LYS 3 6.367 -4.184 -7.007
34 HZ2 LYS 3 HZ2 LYS 3 6.537 -4.026 -5.331
35 HZ3 LYS 3 HZ3 LYS 3 5.042 -4.461 -5.992
36 H LYS 4 H LYS 4 6.690 2.496 -5.135
37 HA LYS 4 HA LYS 4 5.530 4.922 -5.819
38 HB2 LYS 4 HB2 LYS 4 8.364 3.958 -5.689
39 HB3 LYS 4 HB3 LYS 4 8.020 5.571 -6.301
40 HG2 LYS 4 HG2 LYS 4 7.179 4.535 -3.601
41 HG3 LYS 4 HG3 LYS 4 8.590 5.551 -3.909
42 HD2 LYS 4 HD2 LYS 4 6.406 6.829 -5.138
43 HD3 LYS 4 HD3 LYS 4 5.849 6.314 -3.544
44 HE2 LYS 4 HE2 LYS 4 8.383 7.867 -4.057
45 HE3 LYS 4 HE3 LYS 4 6.850 8.589 -3.571
46 HZ1 LYS 4 HZ1 LYS 4 8.597 6.781 -2.016
47 HZ2 LYS 4 HZ2 LYS 4 8.049 8.327 -1.603
48 HZ3 LYS 4 HZ3 LYS 4 6.975 7.019 -1.599
49 H VAL 5 H VAL 5 6.442 6.350 -7.664
50 HA VAL 5 HA VAL 5 5.623 5.146 -10.129
51 HB VAL 5 HB VAL 5 6.847 7.865 -9.640
52 HG11 VAL 5 HG11 VAL 5 5.884 6.482 -12.054
53 HG12 VAL 5 HG12 VAL 5 5.318 8.139 -11.848
54 HG13 VAL 5 HG13 VAL 5 7.048 7.796 -11.884
55 HG21 VAL 5 HG21 VAL 5 4.318 8.456 -10.062
56 HG22 VAL 5 HG22 VAL 5 4.065 6.814 -9.470
57 HG23 VAL 5 HG23 VAL 5 4.887 8.000 -8.456
58 H ILE 6 H ILE 6 6.830 4.607 -11.904
59 HA ILE 6 HA ILE 6 9.741 4.919 -11.748
60 HB ILE 6 HB ILE 6 9.463 2.437 -12.920
61 HG12 ILE 6 HG12 ILE 6 8.186 1.148 -11.163
62 HG13 ILE 6 HG13 ILE 6 7.564 2.689 -10.582
63 HG21 ILE 6 HG21 ILE 6 11.209 2.293 -11.551
64 HG22 ILE 6 HG22 ILE 6 10.598 3.600 -10.536
65 HG23 ILE 6 HG23 ILE 6 10.073 1.941 -10.250
66 HD11 ILE 6 HD11 ILE 6 5.883 1.878 -11.960
67 HD12 ILE 6 HD12 ILE 6 6.740 3.033 -12.982
68 HD13 ILE 6 HD13 ILE 6 7.025 1.303 -13.176
69 H TRP 7 H TRP 7 9.844 6.364 -13.412
70 HA TRP 7 HA TRP 7 8.417 5.974 -15.871
71 HB2 TRP 7 HB2 TRP 7 8.917 8.230 -15.085
72 HB3 TRP 7 HB3 TRP 7 10.644 7.894 -15.155
73 HD1 TRP 7 HD1 TRP 7 7.635 8.585 -17.426
74 HE1 TRP 7 HE1 TRP 7 8.504 9.252 -19.756
75 HE3 TRP 7 HE3 TRP 7 12.613 7.646 -16.736
76 HZ2 TRP 7 HZ2 TRP 7 10.973 9.364 -21.120
77 HZ3 TRP 7 HZ3 TRP 7 14.161 8.059 -18.603
78 HH2 TRP 7 HH2 TRP 7 13.356 8.899 -20.749
79 H LYS 8 H LYS 8 11.712 5.453 -14.737
80 HA LYS 8 HA LYS 8 13.017 4.967 -17.122
81 HB2 LYS 8 HB2 LYS 8 14.467 3.400 -15.754
82 HB3 LYS 8 HB3 LYS 8 14.312 5.040 -15.140
83 HG2 LYS 8 HG2 LYS 8 12.252 3.414 -14.012
84 HG3 LYS 8 HG3 LYS 8 13.816 2.626 -13.790
85 HD2 LYS 8 HD2 LYS 8 13.474 5.540 -13.180
86 HD3 LYS 8 HD3 LYS 8 12.990 4.313 -12.006
87 HE2 LYS 8 HE2 LYS 8 15.130 3.698 -11.566
88 HE3 LYS 8 HE3 LYS 8 15.673 4.012 -13.214
89 HZ1 LYS 8 HZ1 LYS 8 16.684 5.710 -12.107
90 HZ2 LYS 8 HZ2 LYS 8 15.226 6.475 -12.496
91 HZ3 LYS 8 HZ3 LYS 8 15.465 5.850 -10.942
92 H SER 9 H SER 9 10.871 2.868 -15.297
93 HA SER 9 HA SER 9 11.367 0.424 -16.483
94 HB2 SER 9 HB2 SER 9 9.401 1.494 -14.788
95 HB3 SER 9 HB3 SER 9 8.519 0.804 -16.150
96 HG SER 9 HG SER 9 9.674 -0.463 -14.112
97 H PHE 10 H PHE 10 9.511 3.148 -17.702
98 HA PHE 10 HA PHE 10 8.667 1.667 -20.055
99 HB2 PHE 10 HB2 PHE 10 8.182 4.502 -19.134
100 HB3 PHE 10 HB3 PHE 10 7.612 3.882 -20.681
101 HD1 PHE 10 HD1 PHE 10 7.387 3.368 -17.019
102 HD2 PHE 10 HD2 PHE 10 5.615 2.681 -20.828
103 HE1 PHE 10 HE1 PHE 10 5.366 2.497 -15.918
104 HE2 PHE 10 HE2 PHE 10 3.591 1.810 -19.733
105 HZ PHE 10 HZ PHE 10 3.464 1.718 -17.275
106 H LEU 11 H LEU 11 10.831 4.330 -19.214
107 HA LEU 11 HA LEU 11 12.451 5.424 -20.388
108 HB2 LEU 11 HB2 LEU 11 12.977 2.745 -20.420
109 HB3 LEU 11 HB3 LEU 11 13.042 3.146 -22.135
110 HG LEU 11 HG LEU 11 14.676 4.502 -19.992
111 HD11 LEU 11 HD11 LEU 11 16.456 3.128 -20.488
112 HD12 LEU 11 HD12 LEU 11 15.104 1.999 -20.562
113 HD13 LEU 11 HD13 LEU 11 15.792 2.650 -22.050
114 HD21 LEU 11 HD21 LEU 11 15.121 4.570 -22.960
115 HD22 LEU 11 HD22 LEU 11 14.080 5.741 -22.150
116 HD23 LEU 11 HD23 LEU 11 15.786 5.629 -21.716
Start of MODEL 4
1 H1 LYS 1 H LYS 1 5.191 2.437 -1.209
2 HA LYS 1 HA LYS 1 3.214 0.547 -0.147
3 HB2 LYS 1 HB2 LYS 1 2.907 3.556 -0.110
4 HB3 LYS 1 HB3 LYS 1 1.673 2.394 0.361
5 HG2 LYS 1 HG2 LYS 1 3.714 1.628 1.959
6 HG3 LYS 1 HG3 LYS 1 4.021 3.362 1.833
7 HD2 LYS 1 HD2 LYS 1 1.516 3.628 2.366
8 HD3 LYS 1 HD3 LYS 1 1.600 1.949 2.904
9 HE2 LYS 1 HE2 LYS 1 3.366 4.172 3.921
10 HE3 LYS 1 HE3 LYS 1 1.910 3.600 4.732
11 HZ1 LYS 1 HZ1 LYS 1 3.072 1.321 4.602
12 HZ2 LYS 1 HZ2 LYS 1 4.486 2.220 4.363
13 HZ3 LYS 1 HZ3 LYS 1 3.580 2.428 5.777
14 H PHE 2 H PHE 2 4.379 0.654 -2.735
15 HA PHE 2 HA PHE 2 3.792 0.558 -4.930
16 HB2 PHE 2 HB2 PHE 2 1.612 -0.369 -3.535
17 HB3 PHE 2 HB3 PHE 2 0.905 0.893 -4.539
18 HD1 PHE 2 HD1 PHE 2 -0.015 0.145 -6.491
19 HD2 PHE 2 HD2 PHE 2 3.448 -1.809 -4.972
20 HE1 PHE 2 HE1 PHE 2 -0.050 -1.399 -8.406
21 HE2 PHE 2 HE2 PHE 2 3.419 -3.355 -6.885
22 HZ PHE 2 HZ PHE 2 1.669 -3.151 -8.606
23 H LYS 3 H LYS 3 2.085 1.734 -6.564
24 HA LYS 3 HA LYS 3 1.764 3.682 -7.703
25 HB2 LYS 3 HB2 LYS 3 1.185 4.981 -5.055
26 HB3 LYS 3 HB3 LYS 3 0.440 5.292 -6.618
27 HG2 LYS 3 HG2 LYS 3 0.035 2.908 -4.833
28 HG3 LYS 3 HG3 LYS 3 -1.146 4.141 -5.281
29 HD2 LYS 3 HD2 LYS 3 0.127 2.123 -7.129
30 HD3 LYS 3 HD3 LYS 3 -1.537 2.099 -6.539
31 HE2 LYS 3 HE2 LYS 3 -1.274 4.619 -7.634
32 HE3 LYS 3 HE3 LYS 3 -0.350 3.597 -8.735
33 HZ1 LYS 3 HZ1 LYS 3 -2.884 2.472 -7.969
34 HZ2 LYS 3 HZ2 LYS 3 -3.030 3.938 -8.800
35 HZ3 LYS 3 HZ3 LYS 3 -2.198 2.645 -9.506
36 H LYS 4 H LYS 4 4.257 3.512 -7.799
37 HA LYS 4 HA LYS 4 5.378 6.026 -6.746
38 HB2 LYS 4 HB2 LYS 4 7.577 4.919 -6.677
39 HB3 LYS 4 HB3 LYS 4 6.411 4.133 -5.621
40 HG2 LYS 4 HG2 LYS 4 6.388 2.940 -8.243
41 HG3 LYS 4 HG3 LYS 4 8.013 2.934 -7.553
42 HD2 LYS 4 HD2 LYS 4 6.888 2.034 -5.427
43 HD3 LYS 4 HD3 LYS 4 5.500 1.700 -6.465
44 HE2 LYS 4 HE2 LYS 4 6.581 0.046 -7.609
45 HE3 LYS 4 HE3 LYS 4 8.170 0.776 -7.381
46 HZ1 LYS 4 HZ1 LYS 4 7.854 0.139 -4.946
47 HZ2 LYS 4 HZ2 LYS 4 6.617 -0.879 -5.491
48 HZ3 LYS 4 HZ3 LYS 4 8.202 -1.104 -6.040
49 H VAL 5 H VAL 5 7.274 6.809 -8.062
50 HA VAL 5 HA VAL 5 6.657 6.469 -10.919
51 HB VAL 5 HB VAL 5 8.115 8.774 -9.624
52 HG11 VAL 5 HG11 VAL 5 8.481 8.221 -12.087
53 HG12 VAL 5 HG12 VAL 5 6.804 8.711 -12.325
54 HG13 VAL 5 HG13 VAL 5 7.980 9.866 -11.697
55 HG21 VAL 5 HG21 VAL 5 5.230 8.606 -10.491
56 HG22 VAL 5 HG22 VAL 5 5.803 8.648 -8.824
57 HG23 VAL 5 HG23 VAL 5 6.048 10.042 -9.876
58 H ILE 6 H ILE 6 8.106 5.512 -12.181
59 HA ILE 6 HA ILE 6 10.947 5.692 -11.546
60 HB ILE 6 HB ILE 6 10.191 2.981 -12.352
61 HG12 ILE 6 HG12 ILE 6 9.349 4.059 -9.655
62 HG13 ILE 6 HG13 ILE 6 8.307 3.350 -10.885
63 HG21 ILE 6 HG21 ILE 6 12.431 4.070 -11.485
64 HG22 ILE 6 HG22 ILE 6 11.759 3.637 -9.913
65 HG23 ILE 6 HG23 ILE 6 12.029 2.390 -11.130
66 HD11 ILE 6 HD11 ILE 6 10.430 1.917 -9.307
67 HD12 ILE 6 HD12 ILE 6 8.685 1.786 -9.087
68 HD13 ILE 6 HD13 ILE 6 9.434 1.197 -10.571
69 H TRP 7 H TRP 7 11.574 6.694 -13.368
70 HA TRP 7 HA TRP 7 10.464 6.524 -15.889
71 HB2 TRP 7 HB2 TRP 7 12.060 8.248 -15.393
72 HB3 TRP 7 HB3 TRP 7 13.322 7.063 -15.070
73 HD1 TRP 7 HD1 TRP 7 15.050 7.303 -16.941
74 HE1 TRP 7 HE1 TRP 7 14.978 7.461 -19.509
75 HE3 TRP 7 HE3 TRP 7 9.983 7.454 -17.603
76 HZ2 TRP 7 HZ2 TRP 7 13.031 7.627 -21.546
77 HZ3 TRP 7 HZ3 TRP 7 9.097 7.613 -19.893
78 HH2 TRP 7 HH2 TRP 7 10.591 7.698 -21.822
79 H LYS 8 H LYS 8 12.838 4.424 -14.371
80 HA LYS 8 HA LYS 8 13.736 2.996 -16.573
81 HB2 LYS 8 HB2 LYS 8 13.209 1.965 -13.779
82 HB3 LYS 8 HB3 LYS 8 14.201 1.161 -14.988
83 HG2 LYS 8 HG2 LYS 8 15.967 2.321 -14.340
84 HG3 LYS 8 HG3 LYS 8 15.130 3.834 -14.695
85 HD2 LYS 8 HD2 LYS 8 14.251 3.967 -12.497
86 HD3 LYS 8 HD3 LYS 8 14.720 2.304 -12.134
87 HE2 LYS 8 HE2 LYS 8 16.685 4.503 -12.754
88 HE3 LYS 8 HE3 LYS 8 16.184 4.072 -11.120
89 HZ1 LYS 8 HZ1 LYS 8 17.511 2.301 -11.118
90 HZ2 LYS 8 HZ2 LYS 8 17.037 1.812 -12.666
91 HZ3 LYS 8 HZ3 LYS 8 18.256 2.970 -12.481
92 H SER 9 H SER 9 10.749 2.680 -14.750
93 HA SER 9 HA SER 9 9.948 0.306 -16.210
94 HB2 SER 9 HB2 SER 9 9.294 1.377 -13.716
95 HB3 SER 9 HB3 SER 9 7.832 1.581 -14.681
96 HG SER 9 HG SER 9 7.669 -0.563 -14.924
97 H PHE 10 H PHE 10 9.205 3.741 -16.133
98 HA PHE 10 HA PHE 10 6.939 3.728 -17.776
99 HB2 PHE 10 HB2 PHE 10 9.016 5.779 -17.104
100 HB3 PHE 10 HB3 PHE 10 7.834 6.123 -18.362
101 HD1 PHE 10 HD1 PHE 10 8.493 6.121 -14.872
102 HD2 PHE 10 HD2 PHE 10 5.360 5.884 -17.743
103 HE1 PHE 10 HE1 PHE 10 6.870 6.798 -13.151
104 HE2 PHE 10 HE2 PHE 10 3.732 6.561 -16.027
105 HZ PHE 10 HZ PHE 10 4.486 7.019 -13.728
106 H LEU 11 H LEU 11 10.365 3.693 -18.543
107 HA LEU 11 HA LEU 11 9.807 3.874 -21.401
108 HB2 LEU 11 HB2 LEU 11 11.669 5.121 -21.067
109 HB3 LEU 11 HB3 LEU 11 12.187 4.171 -19.676
110 HG LEU 11 HG LEU 11 13.025 2.430 -21.191
111 HD11 LEU 11 HD11 LEU 11 12.506 2.337 -23.348
112 HD12 LEU 11 HD12 LEU 11 11.376 3.661 -23.064
113 HD13 LEU 11 HD13 LEU 11 13.018 4.005 -23.608
114 HD21 LEU 11 HD21 LEU 11 14.462 4.309 -20.415
115 HD22 LEU 11 HD22 LEU 11 14.965 3.611 -21.954
116 HD23 LEU 11 HD23 LEU 11 14.101 5.148 -21.924
Start of MODEL 5
1 H1 LYS 1 H LYS 1 5.574 4.103 -0.935
2 HA LYS 1 HA LYS 1 4.575 1.538 0.057
3 HB2 LYS 1 HB2 LYS 1 2.557 2.795 0.990
4 HB3 LYS 1 HB3 LYS 1 4.050 2.885 1.916
5 HG2 LYS 1 HG2 LYS 1 3.621 5.022 -0.071
6 HG3 LYS 1 HG3 LYS 1 2.541 5.016 1.326
7 HD2 LYS 1 HD2 LYS 1 4.925 4.607 2.537
8 HD3 LYS 1 HD3 LYS 1 5.427 5.589 1.158
9 HE2 LYS 1 HE2 LYS 1 3.096 6.783 2.183
10 HE3 LYS 1 HE3 LYS 1 4.103 6.387 3.575
11 HZ1 LYS 1 HZ1 LYS 1 5.677 7.509 1.507
12 HZ2 LYS 1 HZ2 LYS 1 4.383 8.539 1.865
13 HZ3 LYS 1 HZ3 LYS 1 5.448 8.061 3.090
14 H PHE 2 H PHE 2 4.445 1.011 -2.179
15 HA PHE 2 HA PHE 2 3.351 0.733 -4.152
16 HB2 PHE 2 HB2 PHE 2 1.316 1.435 -2.229
17 HB3 PHE 2 HB3 PHE 2 0.896 2.060 -3.821
18 HD1 PHE 2 HD1 PHE 2 -0.649 0.701 -4.827
19 HD2 PHE 2 HD2 PHE 2 2.553 -1.074 -2.657
20 HE1 PHE 2 HE1 PHE 2 -1.439 -1.532 -5.495
21 HE2 PHE 2 HE2 PHE 2 1.770 -3.309 -3.322
22 HZ PHE 2 HZ PHE 2 -0.228 -3.541 -4.743
23 H LYS 3 H LYS 3 1.894 2.123 -5.813
24 HA LYS 3 HA LYS 3 2.041 3.780 -7.371
25 HB2 LYS 3 HB2 LYS 3 2.330 5.554 -4.941
26 HB3 LYS 3 HB3 LYS 3 1.766 6.041 -6.534
27 HG2 LYS 3 HG2 LYS 3 -0.317 5.407 -6.092
28 HG3 LYS 3 HG3 LYS 3 0.210 3.848 -5.453
29 HD2 LYS 3 HD2 LYS 3 0.992 5.454 -3.445
30 HD3 LYS 3 HD3 LYS 3 -0.385 6.379 -4.047
31 HE2 LYS 3 HE2 LYS 3 -0.685 3.445 -3.603
32 HE3 LYS 3 HE3 LYS 3 -0.698 4.527 -2.211
33 HZ1 LYS 3 HZ1 LYS 3 -2.930 4.125 -3.033
34 HZ2 LYS 3 HZ2 LYS 3 -2.516 5.754 -3.230
35 HZ3 LYS 3 HZ3 LYS 3 -2.504 4.711 -4.562
36 H LYS 4 H LYS 4 4.489 2.493 -6.830
37 HA LYS 4 HA LYS 4 6.660 4.167 -6.342
38 HB2 LYS 4 HB2 LYS 4 6.440 1.717 -8.095
39 HB3 LYS 4 HB3 LYS 4 7.966 2.497 -7.698
40 HG2 LYS 4 HG2 LYS 4 6.163 1.677 -5.479
41 HG3 LYS 4 HG3 LYS 4 7.093 0.440 -6.328
42 HD2 LYS 4 HD2 LYS 4 8.670 2.793 -5.622
43 HD3 LYS 4 HD3 LYS 4 7.989 1.961 -4.221
44 HE2 LYS 4 HE2 LYS 4 9.589 0.642 -6.412
45 HE3 LYS 4 HE3 LYS 4 10.235 1.135 -4.848
46 HZ1 LYS 4 HZ1 LYS 4 8.336 -1.031 -5.464
47 HZ2 LYS 4 HZ2 LYS 4 9.747 -1.082 -4.531
48 HZ3 LYS 4 HZ3 LYS 4 8.356 -0.336 -3.922
49 H VAL 5 H VAL 5 8.395 4.448 -8.227
50 HA VAL 5 HA VAL 5 7.313 6.449 -9.948
51 HB VAL 5 HB VAL 5 10.066 5.205 -9.953
52 HG11 VAL 5 HG11 VAL 5 10.514 7.592 -10.979
53 HG12 VAL 5 HG12 VAL 5 10.019 6.237 -11.995
54 HG13 VAL 5 HG13 VAL 5 8.831 7.437 -11.485
55 HG21 VAL 5 HG21 VAL 5 10.129 6.222 -7.936
56 HG22 VAL 5 HG22 VAL 5 10.403 7.664 -8.914
57 HG23 VAL 5 HG23 VAL 5 8.784 7.298 -8.316
58 H ILE 6 H ILE 6 6.738 6.348 -12.041
59 HA ILE 6 HA ILE 6 6.581 3.732 -13.281
60 HB ILE 6 HB ILE 6 5.583 6.414 -14.247
61 HG12 ILE 6 HG12 ILE 6 4.479 5.577 -12.193
62 HG13 ILE 6 HG13 ILE 6 3.384 5.621 -13.570
63 HG21 ILE 6 HG21 ILE 6 4.231 5.054 -15.829
64 HG22 ILE 6 HG22 ILE 6 5.967 4.982 -16.133
65 HG23 ILE 6 HG23 ILE 6 5.156 3.636 -15.333
66 HD11 ILE 6 HD11 ILE 6 4.661 3.062 -13.413
67 HD12 ILE 6 HD12 ILE 6 3.910 3.471 -11.870
68 HD13 ILE 6 HD13 ILE 6 2.946 3.468 -13.347
69 H TRP 7 H TRP 7 8.568 6.527 -13.436
70 HA TRP 7 HA TRP 7 9.478 6.571 -16.032
71 HB2 TRP 7 HB2 TRP 7 10.172 8.208 -14.352
72 HB3 TRP 7 HB3 TRP 7 11.099 6.970 -13.508
73 HD1 TRP 7 HD1 TRP 7 13.575 7.466 -13.894
74 HE1 TRP 7 HE1 TRP 7 15.040 8.102 -15.912
75 HE3 TRP 7 HE3 TRP 7 9.919 7.921 -17.438
76 HZ2 TRP 7 HZ2 TRP 7 14.692 8.716 -18.645
77 HZ3 TRP 7 HZ3 TRP 7 10.569 8.537 -19.730
78 HH2 TRP 7 HH2 TRP 7 12.906 8.926 -20.319
79 H LYS 8 H LYS 8 10.298 4.329 -13.458
80 HA LYS 8 HA LYS 8 12.544 3.101 -14.488
81 HB2 LYS 8 HB2 LYS 8 10.253 1.726 -13.072
82 HB3 LYS 8 HB3 LYS 8 11.903 1.130 -13.199
83 HG2 LYS 8 HG2 LYS 8 12.659 2.476 -11.563
84 HG3 LYS 8 HG3 LYS 8 11.606 3.814 -12.028
85 HD2 LYS 8 HD2 LYS 8 10.537 3.273 -10.112
86 HD3 LYS 8 HD3 LYS 8 9.768 2.058 -11.137
87 HE2 LYS 8 HE2 LYS 8 10.523 0.994 -9.124
88 HE3 LYS 8 HE3 LYS 8 11.539 0.452 -10.459
89 HZ1 LYS 8 HZ1 LYS 8 12.308 2.666 -8.645
90 HZ2 LYS 8 HZ2 LYS 8 12.739 1.054 -8.364
91 HZ3 LYS 8 HZ3 LYS 8 13.289 1.847 -9.753
92 H SER 9 H SER 9 9.146 2.486 -15.263
93 HA SER 9 HA SER 9 9.771 0.363 -17.101
94 HB2 SER 9 HB2 SER 9 7.659 0.157 -16.064
95 HB3 SER 9 HB3 SER 9 7.240 1.839 -16.391
96 HG SER 9 HG SER 9 6.449 1.221 -18.226
97 H PHE 10 H PHE 10 9.035 3.794 -17.305
98 HA PHE 10 HA PHE 10 8.650 3.969 -20.079
99 HB2 PHE 10 HB2 PHE 10 9.323 5.879 -17.902
100 HB3 PHE 10 HB3 PHE 10 9.638 6.402 -19.554
101 HD1 PHE 10 HD1 PHE 10 6.882 4.321 -18.168
102 HD2 PHE 10 HD2 PHE 10 8.013 7.964 -20.056
103 HE1 PHE 10 HE1 PHE 10 4.510 4.920 -18.424
104 HE2 PHE 10 HE2 PHE 10 5.642 8.570 -20.314
105 HZ PHE 10 HZ PHE 10 3.887 7.048 -19.497
106 H LEU 11 H LEU 11 11.578 4.271 -18.107
107 HA LEU 11 HA LEU 11 13.388 5.043 -20.046
108 HB2 LEU 11 HB2 LEU 11 13.492 4.117 -17.406
109 HB3 LEU 11 HB3 LEU 11 14.558 3.054 -18.322
110 HG LEU 11 HG LEU 11 14.764 6.051 -18.061
111 HD11 LEU 11 HD11 LEU 11 17.050 5.328 -17.160
112 HD12 LEU 11 HD12 LEU 11 15.643 5.103 -16.120
113 HD13 LEU 11 HD13 LEU 11 16.327 3.728 -16.988
114 HD21 LEU 11 HD21 LEU 11 15.722 5.993 -20.077
115 HD22 LEU 11 HD22 LEU 11 17.056 5.151 -19.287
116 HD23 LEU 11 HD23 LEU 11 15.785 4.230 -20.092
Start of MODEL 6
1 H1 LYS 1 H LYS 1 3.257 0.447 -3.635
2 HA LYS 1 HA LYS 1 2.571 0.954 -0.957
3 HB2 LYS 1 HB2 LYS 1 5.255 0.004 -1.359
4 HB3 LYS 1 HB3 LYS 1 5.298 1.671 -0.799
5 HG2 LYS 1 HG2 LYS 1 4.249 1.157 1.208
6 HG3 LYS 1 HG3 LYS 1 3.601 -0.364 0.591
7 HD2 LYS 1 HD2 LYS 1 5.349 -1.421 1.468
8 HD3 LYS 1 HD3 LYS 1 6.405 -0.531 0.368
9 HE2 LYS 1 HE2 LYS 1 6.101 1.359 2.196
10 HE3 LYS 1 HE3 LYS 1 5.772 -0.030 3.231
11 HZ1 LYS 1 HZ1 LYS 1 7.964 -0.879 2.041
12 HZ2 LYS 1 HZ2 LYS 1 8.260 0.784 1.948
13 HZ3 LYS 1 HZ3 LYS 1 8.007 0.052 3.453
14 H PHE 2 H PHE 2 1.519 2.743 -1.668
15 HA PHE 2 HA PHE 2 1.199 4.898 -2.318
16 HB2 PHE 2 HB2 PHE 2 3.285 5.092 -0.748
17 HB3 PHE 2 HB3 PHE 2 4.154 5.398 -2.249
18 HD1 PHE 2 HD1 PHE 2 4.311 7.556 -3.033
19 HD2 PHE 2 HD2 PHE 2 1.150 6.545 -0.369
20 HE1 PHE 2 HE1 PHE 2 3.635 9.920 -2.944
21 HE2 PHE 2 HE2 PHE 2 0.468 8.906 -0.276
22 HZ PHE 2 HZ PHE 2 1.710 10.598 -1.565
23 H LYS 3 H LYS 3 1.924 2.736 -4.254
24 HA LYS 3 HA LYS 3 2.359 2.462 -6.474
25 HB2 LYS 3 HB2 LYS 3 1.629 5.372 -6.768
26 HB3 LYS 3 HB3 LYS 3 1.395 4.072 -7.930
27 HG2 LYS 3 HG2 LYS 3 -0.040 4.338 -5.296
28 HG3 LYS 3 HG3 LYS 3 -0.701 4.759 -6.878
29 HD2 LYS 3 HD2 LYS 3 -1.337 2.652 -7.187
30 HD3 LYS 3 HD3 LYS 3 0.331 2.106 -7.003
31 HE2 LYS 3 HE2 LYS 3 -0.099 2.296 -4.479
32 HE3 LYS 3 HE3 LYS 3 -1.806 2.367 -4.912
33 HZ1 LYS 3 HZ1 LYS 3 -0.712 0.236 -6.309
34 HZ2 LYS 3 HZ2 LYS 3 -0.123 0.111 -4.727
35 HZ3 LYS 3 HZ3 LYS 3 -1.791 0.169 -5.007
36 H LYS 4 H LYS 4 4.624 2.195 -6.164
37 HA LYS 4 HA LYS 4 6.523 4.228 -6.076
38 HB2 LYS 4 HB2 LYS 4 6.750 1.464 -7.281
39 HB3 LYS 4 HB3 LYS 4 8.113 2.521 -6.938
40 HG2 LYS 4 HG2 LYS 4 8.168 1.884 -4.816
41 HG3 LYS 4 HG3 LYS 4 6.444 2.203 -4.609
42 HD2 LYS 4 HD2 LYS 4 6.059 -0.013 -5.810
43 HD3 LYS 4 HD3 LYS 4 7.779 -0.318 -5.560
44 HE2 LYS 4 HE2 LYS 4 7.297 0.211 -3.090
45 HE3 LYS 4 HE3 LYS 4 5.602 -0.013 -3.519
46 HZ1 LYS 4 HZ1 LYS 4 5.932 -2.170 -3.211
47 HZ2 LYS 4 HZ2 LYS 4 6.924 -2.179 -4.582
48 HZ3 LYS 4 HZ3 LYS 4 7.604 -1.971 -3.046
49 H VAL 5 H VAL 5 7.677 5.354 -7.603
50 HA VAL 5 HA VAL 5 6.623 5.222 -10.353
51 HB VAL 5 HB VAL 5 7.827 7.592 -8.917
52 HG11 VAL 5 HG11 VAL 5 7.207 7.057 -11.744
53 HG12 VAL 5 HG12 VAL 5 6.643 8.607 -11.121
54 HG13 VAL 5 HG13 VAL 5 8.353 8.189 -11.026
55 HG21 VAL 5 HG21 VAL 5 5.356 8.384 -9.560
56 HG22 VAL 5 HG22 VAL 5 5.054 6.658 -9.358
57 HG23 VAL 5 HG23 VAL 5 5.738 7.595 -8.030
58 H ILE 6 H ILE 6 7.991 4.738 -11.947
59 HA ILE 6 HA ILE 6 10.848 5.234 -11.628
60 HB ILE 6 HB ILE 6 10.333 2.590 -12.774
61 HG12 ILE 6 HG12 ILE 6 9.742 3.126 -9.857
62 HG13 ILE 6 HG13 ILE 6 8.639 2.462 -11.057
63 HG21 ILE 6 HG21 ILE 6 12.358 2.059 -11.793
64 HG22 ILE 6 HG22 ILE 6 12.531 3.790 -12.089
65 HG23 ILE 6 HG23 ILE 6 12.137 3.206 -10.472
66 HD11 ILE 6 HD11 ILE 6 9.453 0.722 -9.598
67 HD12 ILE 6 HD12 ILE 6 10.059 0.473 -11.235
68 HD13 ILE 6 HD13 ILE 6 11.121 1.137 -9.993
69 H TRP 7 H TRP 7 11.086 6.573 -13.321
70 HA TRP 7 HA TRP 7 9.657 6.462 -15.730
71 HB2 TRP 7 HB2 TRP 7 10.778 8.494 -15.071
72 HB3 TRP 7 HB3 TRP 7 12.345 7.690 -15.094
73 HD1 TRP 7 HD1 TRP 7 13.653 8.662 -17.065
74 HE1 TRP 7 HE1 TRP 7 13.160 9.158 -19.542
75 HE3 TRP 7 HE3 TRP 7 8.681 7.476 -17.155
76 HZ2 TRP 7 HZ2 TRP 7 10.954 9.059 -21.301
77 HZ3 TRP 7 HZ3 TRP 7 7.452 7.705 -19.275
78 HH2 TRP 7 HH2 TRP 7 8.567 8.480 -21.304
79 H LYS 8 H LYS 8 12.791 5.104 -14.817
80 HA LYS 8 HA LYS 8 13.684 4.230 -17.285
81 HB2 LYS 8 HB2 LYS 8 15.033 2.615 -16.089
82 HB3 LYS 8 HB3 LYS 8 14.992 4.122 -15.184
83 HG2 LYS 8 HG2 LYS 8 13.013 2.971 -13.926
84 HG3 LYS 8 HG3 LYS 8 13.749 1.492 -14.546
85 HD2 LYS 8 HD2 LYS 8 15.403 3.555 -13.135
86 HD3 LYS 8 HD3 LYS 8 14.470 2.366 -12.223
87 HE2 LYS 8 HE2 LYS 8 16.049 0.843 -12.560
88 HE3 LYS 8 HE3 LYS 8 15.872 1.020 -14.305
89 HZ1 LYS 8 HZ1 LYS 8 18.005 1.677 -14.137
90 HZ2 LYS 8 HZ2 LYS 8 17.317 3.173 -13.749
91 HZ3 LYS 8 HZ3 LYS 8 17.867 2.150 -12.519
92 H SER 9 H SER 9 11.293 2.803 -15.144
93 HA SER 9 HA SER 9 11.054 0.378 -16.671
94 HB2 SER 9 HB2 SER 9 10.459 0.934 -14.122
95 HB3 SER 9 HB3 SER 9 8.872 1.230 -14.833
96 HG SER 9 HG SER 9 8.717 -0.846 -15.403
97 H PHE 10 H PHE 10 9.361 3.451 -16.471
98 HA PHE 10 HA PHE 10 7.130 2.724 -18.051
99 HB2 PHE 10 HB2 PHE 10 8.335 5.278 -17.108
100 HB3 PHE 10 HB3 PHE 10 7.203 5.360 -18.454
101 HD1 PHE 10 HD1 PHE 10 7.366 3.457 -15.244
102 HD2 PHE 10 HD2 PHE 10 5.105 5.996 -17.805
103 HE1 PHE 10 HE1 PHE 10 5.485 3.376 -13.659
104 HE2 PHE 10 HE2 PHE 10 3.222 5.920 -16.224
105 HZ PHE 10 HZ PHE 10 3.410 4.610 -14.148
106 H LEU 11 H LEU 11 10.294 4.068 -18.822
107 HA LEU 11 HA LEU 11 9.924 4.807 -21.456
108 HB2 LEU 11 HB2 LEU 11 12.057 4.613 -19.756
109 HB3 LEU 11 HB3 LEU 11 12.442 3.395 -20.970
110 HG LEU 11 HG LEU 11 11.850 6.289 -21.581
111 HD11 LEU 11 HD11 LEU 11 14.253 4.995 -20.617
112 HD12 LEU 11 HD12 LEU 11 14.496 5.752 -22.191
113 HD13 LEU 11 HD13 LEU 11 13.901 6.709 -20.835
114 HD21 LEU 11 HD21 LEU 11 12.303 5.828 -23.782
115 HD22 LEU 11 HD22 LEU 11 13.267 4.401 -23.400
116 HD23 LEU 11 HD23 LEU 11 11.509 4.331 -23.293
Start of MODEL 7
1 H1 LYS 1 H LYS 1 -0.311 -1.459 -1.195
2 HA LYS 1 HA LYS 1 1.185 -0.962 -2.869
3 HB2 LYS 1 HB2 LYS 1 0.294 0.683 -4.455
4 HB3 LYS 1 HB3 LYS 1 -0.975 -0.376 -3.852
5 HG2 LYS 1 HG2 LYS 1 -2.133 1.473 -3.445
6 HG3 LYS 1 HG3 LYS 1 -1.032 1.741 -2.092
7 HD2 LYS 1 HD2 LYS 1 -0.577 3.692 -3.099
8 HD3 LYS 1 HD3 LYS 1 0.404 2.723 -4.202
9 HE2 LYS 1 HE2 LYS 1 -1.287 2.671 -5.830
10 HE3 LYS 1 HE3 LYS 1 -2.521 3.199 -4.687
11 HZ1 LYS 1 HZ1 LYS 1 -2.021 5.333 -5.028
12 HZ2 LYS 1 HZ2 LYS 1 -0.351 5.065 -4.998
13 HZ3 LYS 1 HZ3 LYS 1 -1.224 4.806 -6.424
14 H PHE 2 H PHE 2 2.553 0.789 -3.923
15 HA PHE 2 HA PHE 2 3.351 2.817 -1.946
16 HB2 PHE 2 HB2 PHE 2 4.897 0.586 -2.953
17 HB3 PHE 2 HB3 PHE 2 5.677 2.116 -3.340
18 HD1 PHE 2 HD1 PHE 2 6.592 3.514 -1.624
19 HD2 PHE 2 HD2 PHE 2 4.541 -0.082 -0.635
20 HE1 PHE 2 HE1 PHE 2 7.473 3.646 0.670
21 HE2 PHE 2 HE2 PHE 2 5.418 0.045 1.660
22 HZ PHE 2 HZ PHE 2 6.885 1.911 2.315
23 H LYS 3 H LYS 3 4.703 4.563 -2.911
24 HA LYS 3 HA LYS 3 3.710 5.203 -5.605
25 HB2 LYS 3 HB2 LYS 3 4.274 7.580 -4.945
26 HB3 LYS 3 HB3 LYS 3 2.951 6.835 -4.057
27 HG2 LYS 3 HG2 LYS 3 5.485 6.393 -2.741
28 HG3 LYS 3 HG3 LYS 3 5.168 8.112 -2.990
29 HD2 LYS 3 HD2 LYS 3 2.938 7.806 -1.957
30 HD3 LYS 3 HD3 LYS 3 3.350 6.121 -1.632
31 HE2 LYS 3 HE2 LYS 3 3.971 7.003 0.364
32 HE3 LYS 3 HE3 LYS 3 5.473 7.283 -0.515
33 HZ1 LYS 3 HZ1 LYS 3 4.274 9.191 0.814
34 HZ2 LYS 3 HZ2 LYS 3 5.104 9.507 -0.626
35 HZ3 LYS 3 HZ3 LYS 3 3.418 9.359 -0.636
36 H LYS 4 H LYS 4 5.579 3.694 -6.201
37 HA LYS 4 HA LYS 4 8.089 5.230 -6.352
38 HB2 LYS 4 HB2 LYS 4 9.102 2.935 -6.864
39 HB3 LYS 4 HB3 LYS 4 8.585 3.237 -5.210
40 HG2 LYS 4 HG2 LYS 4 6.502 2.016 -5.654
41 HG3 LYS 4 HG3 LYS 4 7.064 1.682 -7.293
42 HD2 LYS 4 HD2 LYS 4 9.158 0.716 -6.040
43 HD3 LYS 4 HD3 LYS 4 8.029 0.588 -4.689
44 HE2 LYS 4 HE2 LYS 4 7.010 -1.178 -5.593
45 HE3 LYS 4 HE3 LYS 4 6.881 -0.391 -7.166
46 HZ1 LYS 4 HZ1 LYS 4 9.520 -1.355 -6.386
47 HZ2 LYS 4 HZ2 LYS 4 8.364 -2.531 -6.765
48 HZ3 LYS 4 HZ3 LYS 4 8.774 -1.350 -7.905
49 H VAL 5 H VAL 5 6.417 6.116 -8.146
50 HA VAL 5 HA VAL 5 6.390 4.610 -10.588
51 HB VAL 5 HB VAL 5 5.780 7.538 -10.159
52 HG11 VAL 5 HG11 VAL 5 5.873 5.855 -12.515
53 HG12 VAL 5 HG12 VAL 5 4.278 6.568 -12.278
54 HG13 VAL 5 HG13 VAL 5 5.700 7.605 -12.385
55 HG21 VAL 5 HG21 VAL 5 4.315 6.237 -8.782
56 HG22 VAL 5 HG22 VAL 5 3.405 6.767 -10.197
57 HG23 VAL 5 HG23 VAL 5 3.996 5.108 -10.099
58 H ILE 6 H ILE 6 7.835 4.611 -12.193
59 HA ILE 6 HA ILE 6 9.750 6.798 -12.438
60 HB ILE 6 HB ILE 6 11.044 4.189 -12.742
61 HG12 ILE 6 HG12 ILE 6 10.091 5.109 -10.024
62 HG13 ILE 6 HG13 ILE 6 9.701 3.591 -10.825
63 HG21 ILE 6 HG21 ILE 6 12.127 6.188 -10.889
64 HG22 ILE 6 HG22 ILE 6 12.884 5.383 -12.264
65 HG23 ILE 6 HG23 ILE 6 11.837 6.777 -12.526
66 HD11 ILE 6 HD11 ILE 6 11.335 3.238 -9.086
67 HD12 ILE 6 HD12 ILE 6 12.054 2.925 -10.666
68 HD13 ILE 6 HD13 ILE 6 12.408 4.431 -9.818
69 H TRP 7 H TRP 7 9.204 7.420 -14.445
70 HA TRP 7 HA TRP 7 8.234 5.822 -16.503
71 HB2 TRP 7 HB2 TRP 7 8.005 8.207 -16.638
72 HB3 TRP 7 HB3 TRP 7 9.751 8.433 -16.598
73 HD1 TRP 7 HD1 TRP 7 10.415 9.326 -18.903
74 HE1 TRP 7 HE1 TRP 7 9.926 8.669 -21.344
75 HE3 TRP 7 HE3 TRP 7 7.024 5.590 -18.076
76 HZ2 TRP 7 HZ2 TRP 7 8.316 6.814 -22.734
77 HZ3 TRP 7 HZ3 TRP 7 6.056 4.425 -20.016
78 HH2 TRP 7 HH2 TRP 7 6.690 5.026 -22.296
79 H LYS 8 H LYS 8 11.541 6.577 -15.584
80 HA LYS 8 HA LYS 8 12.917 5.704 -17.823
81 HB2 LYS 8 HB2 LYS 8 13.737 5.339 -14.936
82 HB3 LYS 8 HB3 LYS 8 14.812 5.300 -16.327
83 HG2 LYS 8 HG2 LYS 8 15.034 7.504 -16.304
84 HG3 LYS 8 HG3 LYS 8 13.284 7.739 -16.295
85 HD2 LYS 8 HD2 LYS 8 13.710 8.648 -14.267
86 HD3 LYS 8 HD3 LYS 8 13.654 6.962 -13.748
87 HE2 LYS 8 HE2 LYS 8 16.263 7.914 -14.734
88 HE3 LYS 8 HE3 LYS 8 15.705 8.643 -13.229
89 HZ1 LYS 8 HZ1 LYS 8 16.999 6.283 -13.426
90 HZ2 LYS 8 HZ2 LYS 8 16.048 6.759 -12.110
91 HZ3 LYS 8 HZ3 LYS 8 15.385 5.784 -13.324
92 H SER 9 H SER 9 11.466 3.842 -15.222
93 HA SER 9 HA SER 9 12.565 1.346 -16.203
94 HB2 SER 9 HB2 SER 9 12.393 1.291 -13.884
95 HB3 SER 9 HB3 SER 9 10.847 2.140 -13.877
96 HG SER 9 HG SER 9 9.946 0.256 -13.825
97 H PHE 10 H PHE 10 9.504 3.073 -16.224
98 HA PHE 10 HA PHE 10 7.851 1.021 -17.165
99 HB2 PHE 10 HB2 PHE 10 7.742 3.987 -17.124
100 HB3 PHE 10 HB3 PHE 10 6.676 3.176 -18.266
101 HD1 PHE 10 HD1 PHE 10 7.745 2.669 -14.722
102 HD2 PHE 10 HD2 PHE 10 4.541 2.866 -17.517
103 HE1 PHE 10 HE1 PHE 10 6.140 2.235 -12.908
104 HE2 PHE 10 HE2 PHE 10 2.931 2.433 -15.708
105 HZ PHE 10 HZ PHE 10 3.730 2.118 -13.399
106 H LEU 11 H LEU 11 10.014 3.215 -18.852
107 HA LEU 11 HA LEU 11 9.195 2.128 -21.439
108 HB2 LEU 11 HB2 LEU 11 9.422 4.357 -21.779
109 HB3 LEU 11 HB3 LEU 11 10.634 4.537 -20.513
110 HG LEU 11 HG LEU 11 12.338 3.630 -22.028
111 HD11 LEU 11 HD11 LEU 11 11.810 2.511 -23.866
112 HD12 LEU 11 HD12 LEU 11 10.102 2.736 -23.486
113 HD13 LEU 11 HD13 LEU 11 10.940 3.906 -24.504
114 HD21 LEU 11 HD21 LEU 11 12.175 5.546 -23.748
115 HD22 LEU 11 HD22 LEU 11 10.739 6.027 -22.846
116 HD23 LEU 11 HD23 LEU 11 12.304 5.953 -22.037
Start of MODEL 8
1 H1 LYS 1 H LYS 1 1.917 -2.252 -1.770
2 HA LYS 1 HA LYS 1 1.065 -0.297 -2.570
3 HB2 LYS 1 HB2 LYS 1 1.038 0.338 0.385
4 HB3 LYS 1 HB3 LYS 1 0.217 1.293 -0.842
5 HG2 LYS 1 HG2 LYS 1 -0.337 -1.610 -0.270
6 HG3 LYS 1 HG3 LYS 1 -1.282 -0.255 0.351
7 HD2 LYS 1 HD2 LYS 1 -0.943 -0.053 -2.507
8 HD3 LYS 1 HD3 LYS 1 -1.650 -1.609 -2.065
9 HE2 LYS 1 HE2 LYS 1 -3.552 -0.662 -1.233
10 HE3 LYS 1 HE3 LYS 1 -2.734 0.824 -0.754
11 HZ1 LYS 1 HZ1 LYS 1 -4.100 0.205 -3.192
12 HZ2 LYS 1 HZ2 LYS 1 -3.658 1.709 -2.556
13 HZ3 LYS 1 HZ3 LYS 1 -2.547 0.818 -3.470
14 H PHE 2 H PHE 2 2.619 0.659 -3.775
15 HA PHE 2 HA PHE 2 4.102 2.834 -2.519
16 HB2 PHE 2 HB2 PHE 2 5.315 0.412 -3.736
17 HB3 PHE 2 HB3 PHE 2 6.062 1.956 -4.137
18 HD1 PHE 2 HD1 PHE 2 6.367 3.534 -1.979
19 HD2 PHE 2 HD2 PHE 2 6.189 -0.718 -1.953
20 HE1 PHE 2 HE1 PHE 2 7.586 3.499 0.158
21 HE2 PHE 2 HE2 PHE 2 7.406 -0.760 0.184
22 HZ PHE 2 HZ PHE 2 8.106 1.351 1.243
23 H LYS 3 H LYS 3 4.526 4.550 -3.873
24 HA LYS 3 HA LYS 3 3.598 4.301 -6.655
25 HB2 LYS 3 HB2 LYS 3 2.677 6.619 -6.444
26 HB3 LYS 3 HB3 LYS 3 1.831 5.416 -5.480
27 HG2 LYS 3 HG2 LYS 3 4.027 6.883 -4.152
28 HG3 LYS 3 HG3 LYS 3 2.560 7.792 -4.525
29 HD2 LYS 3 HD2 LYS 3 1.282 6.592 -3.064
30 HD3 LYS 3 HD3 LYS 3 2.243 5.124 -3.260
31 HE2 LYS 3 HE2 LYS 3 4.005 6.051 -1.892
32 HE3 LYS 3 HE3 LYS 3 3.154 7.591 -1.782
33 HZ1 LYS 3 HZ1 LYS 3 1.898 6.835 -0.129
34 HZ2 LYS 3 HZ2 LYS 3 1.540 5.388 -0.931
35 HZ3 LYS 3 HZ3 LYS 3 2.960 5.522 -0.020
36 H LYS 4 H LYS 4 6.048 3.977 -6.734
37 HA LYS 4 HA LYS 4 7.617 6.400 -6.490
38 HB2 LYS 4 HB2 LYS 4 8.410 3.699 -7.593
39 HB3 LYS 4 HB3 LYS 4 9.502 5.012 -7.174
40 HG2 LYS 4 HG2 LYS 4 7.692 3.698 -5.168
41 HG3 LYS 4 HG3 LYS 4 9.328 3.129 -5.510
42 HD2 LYS 4 HD2 LYS 4 9.617 5.864 -5.127
43 HD3 LYS 4 HD3 LYS 4 8.441 5.376 -3.904
44 HE2 LYS 4 HE2 LYS 4 10.611 5.179 -2.937
45 HE3 LYS 4 HE3 LYS 4 10.016 3.548 -3.243
46 HZ1 LYS 4 HZ1 LYS 4 11.829 3.167 -4.427
47 HZ2 LYS 4 HZ2 LYS 4 11.396 4.388 -5.515
48 HZ3 LYS 4 HZ3 LYS 4 12.372 4.750 -4.182
49 H VAL 5 H VAL 5 9.301 6.487 -8.530
50 HA VAL 5 HA VAL 5 7.803 7.652 -10.618
51 HB VAL 5 HB VAL 5 10.688 6.777 -10.760
52 HG11 VAL 5 HG11 VAL 5 10.168 9.229 -12.083
53 HG12 VAL 5 HG12 VAL 5 10.668 7.689 -12.783
54 HG13 VAL 5 HG13 VAL 5 8.953 8.063 -12.607
55 HG21 VAL 5 HG21 VAL 5 9.386 8.906 -9.217
56 HG22 VAL 5 HG22 VAL 5 10.961 8.144 -8.996
57 HG23 VAL 5 HG23 VAL 5 10.763 9.432 -10.185
58 H ILE 6 H ILE 6 6.728 6.680 -12.193
59 HA ILE 6 HA ILE 6 7.206 3.889 -12.801
60 HB ILE 6 HB ILE 6 5.192 5.825 -13.950
61 HG12 ILE 6 HG12 ILE 6 4.890 3.617 -11.902
62 HG13 ILE 6 HG13 ILE 6 4.856 5.343 -11.561
63 HG21 ILE 6 HG21 ILE 6 5.642 4.084 -15.547
64 HG22 ILE 6 HG22 ILE 6 5.484 2.846 -14.301
65 HG23 ILE 6 HG23 ILE 6 4.074 3.781 -14.799
66 HD11 ILE 6 HD11 ILE 6 2.867 3.797 -13.204
67 HD12 ILE 6 HD12 ILE 6 2.619 4.472 -11.594
68 HD13 ILE 6 HD13 ILE 6 2.849 5.545 -12.974
69 H TRP 7 H TRP 7 8.056 6.962 -14.083
70 HA TRP 7 HA TRP 7 8.340 6.506 -16.784
71 HB2 TRP 7 HB2 TRP 7 8.772 8.693 -15.982
72 HB3 TRP 7 HB3 TRP 7 10.012 8.124 -14.867
73 HD1 TRP 7 HD1 TRP 7 12.175 9.230 -15.705
74 HE1 TRP 7 HE1 TRP 7 13.415 9.353 -17.957
75 HE3 TRP 7 HE3 TRP 7 8.677 6.986 -18.683
76 HZ2 TRP 7 HZ2 TRP 7 12.970 8.600 -20.641
77 HZ3 TRP 7 HZ3 TRP 7 9.162 6.726 -21.081
78 HH2 TRP 7 HH2 TRP 7 11.264 7.518 -22.038
79 H LYS 8 H LYS 8 10.366 5.400 -14.145
80 HA LYS 8 HA LYS 8 12.462 4.421 -15.846
81 HB2 LYS 8 HB2 LYS 8 13.422 3.497 -13.830
82 HB3 LYS 8 HB3 LYS 8 12.852 5.128 -13.499
83 HG2 LYS 8 HG2 LYS 8 10.673 3.684 -12.805
84 HG3 LYS 8 HG3 LYS 8 11.968 2.555 -12.399
85 HD2 LYS 8 HD2 LYS 8 11.973 5.431 -11.510
86 HD3 LYS 8 HD3 LYS 8 11.240 4.138 -10.559
87 HE2 LYS 8 HE2 LYS 8 14.106 4.125 -11.491
88 HE3 LYS 8 HE3 LYS 8 13.590 4.722 -9.914
89 HZ1 LYS 8 HZ1 LYS 8 13.998 2.605 -9.320
90 HZ2 LYS 8 HZ2 LYS 8 12.444 2.325 -9.929
91 HZ3 LYS 8 HZ3 LYS 8 13.800 1.993 -10.885
92 H SER 9 H SER 9 9.576 3.105 -14.358
93 HA SER 9 HA SER 9 10.028 0.391 -14.557
94 HB2 SER 9 HB2 SER 9 7.816 2.046 -14.052
95 HB3 SER 9 HB3 SER 9 7.325 1.002 -15.386
96 HG SER 9 HG SER 9 7.114 -0.523 -13.974
97 H PHE 10 H PHE 10 9.118 2.673 -17.072
98 HA PHE 10 HA PHE 10 9.146 0.498 -19.047
99 HB2 PHE 10 HB2 PHE 10 8.022 3.299 -19.167
100 HB3 PHE 10 HB3 PHE 10 8.119 2.236 -20.567
101 HD1 PHE 10 HD1 PHE 10 6.754 2.389 -17.111
102 HD2 PHE 10 HD2 PHE 10 6.377 0.790 -21.037
103 HE1 PHE 10 HE1 PHE 10 4.594 1.387 -16.491
104 HE2 PHE 10 HE2 PHE 10 4.216 -0.213 -20.424
105 HZ PHE 10 HZ PHE 10 3.321 0.085 -18.149
106 H LEU 11 H LEU 11 10.446 3.736 -18.422
107 HA LEU 11 HA LEU 11 12.220 4.868 -19.300
108 HB2 LEU 11 HB2 LEU 11 13.092 2.499 -18.264
109 HB3 LEU 11 HB3 LEU 11 13.760 2.447 -19.894
110 HG LEU 11 HG LEU 11 14.224 4.680 -17.919
111 HD11 LEU 11 HD11 LEU 11 15.382 2.919 -16.971
112 HD12 LEU 11 HD12 LEU 11 15.747 2.182 -18.531
113 HD13 LEU 11 HD13 LEU 11 16.595 3.643 -18.026
114 HD21 LEU 11 HD21 LEU 11 15.732 5.577 -19.459
115 HD22 LEU 11 HD22 LEU 11 15.782 4.096 -20.415
116 HD23 LEU 11 HD23 LEU 11 14.343 5.115 -20.443
Start of MODEL 9
1 H1 LYS 1 H LYS 1 1.416 3.199 1.843
2 HA LYS 1 HA LYS 1 1.427 3.668 -0.622
3 HB2 LYS 1 HB2 LYS 1 2.831 4.942 1.214
4 HB3 LYS 1 HB3 LYS 1 4.192 4.198 0.384
5 HG2 LYS 1 HG2 LYS 1 4.112 6.091 -0.827
6 HG3 LYS 1 HG3 LYS 1 2.880 5.202 -1.727
7 HD2 LYS 1 HD2 LYS 1 1.201 6.506 -0.965
8 HD3 LYS 1 HD3 LYS 1 1.913 6.662 0.642
9 HE2 LYS 1 HE2 LYS 1 3.683 8.121 -0.643
10 HE3 LYS 1 HE3 LYS 1 2.375 8.288 -1.814
11 HZ1 LYS 1 HZ1 LYS 1 0.978 9.237 -0.164
12 HZ2 LYS 1 HZ2 LYS 1 2.076 8.890 1.075
13 HZ3 LYS 1 HZ3 LYS 1 2.456 10.057 -0.090
14 H PHE 2 H PHE 2 1.550 2.251 -2.249
15 HA PHE 2 HA PHE 2 4.152 0.989 -2.762
16 HB2 PHE 2 HB2 PHE 2 1.459 -0.373 -2.973
17 HB3 PHE 2 HB3 PHE 2 2.980 -1.060 -3.533
18 HD1 PHE 2 HD1 PHE 2 4.644 -1.851 -1.960
19 HD2 PHE 2 HD2 PHE 2 0.941 -0.232 -0.624
20 HE1 PHE 2 HE1 PHE 2 5.041 -2.797 0.276
21 HE2 PHE 2 HE2 PHE 2 1.333 -1.174 1.614
22 HZ PHE 2 HZ PHE 2 3.385 -2.458 2.067
23 H LYS 3 H LYS 3 2.662 3.356 -3.825
24 HA LYS 3 HA LYS 3 2.387 2.517 -6.633
25 HB2 LYS 3 HB2 LYS 3 1.059 4.527 -6.977
26 HB3 LYS 3 HB3 LYS 3 0.390 3.579 -5.655
27 HG2 LYS 3 HG2 LYS 3 2.041 5.238 -4.299
28 HG3 LYS 3 HG3 LYS 3 1.562 6.269 -5.650
29 HD2 LYS 3 HD2 LYS 3 -0.075 6.697 -4.056
30 HD3 LYS 3 HD3 LYS 3 -0.838 5.489 -5.093
31 HE2 LYS 3 HE2 LYS 3 0.496 3.980 -3.203
32 HE3 LYS 3 HE3 LYS 3 -0.117 5.351 -2.278
33 HZ1 LYS 3 HZ1 LYS 3 -2.308 4.836 -3.498
34 HZ2 LYS 3 HZ2 LYS 3 -1.622 3.317 -3.787
35 HZ3 LYS 3 HZ3 LYS 3 -1.851 3.853 -2.199
36 H LYS 4 H LYS 4 4.952 2.802 -5.615
37 HA LYS 4 HA LYS 4 6.164 5.279 -5.822
38 HB2 LYS 4 HB2 LYS 4 8.236 4.042 -6.366
39 HB3 LYS 4 HB3 LYS 4 7.364 3.335 -5.013
40 HG2 LYS 4 HG2 LYS 4 6.335 1.933 -7.100
41 HG3 LYS 4 HG3 LYS 4 7.989 2.219 -7.646
42 HD2 LYS 4 HD2 LYS 4 7.194 1.008 -4.998
43 HD3 LYS 4 HD3 LYS 4 7.791 0.115 -6.399
44 HE2 LYS 4 HE2 LYS 4 9.854 0.426 -5.632
45 HE3 LYS 4 HE3 LYS 4 9.658 2.148 -5.953
46 HZ1 LYS 4 HZ1 LYS 4 9.303 2.609 -3.782
47 HZ2 LYS 4 HZ2 LYS 4 8.542 1.133 -3.458
48 HZ3 LYS 4 HZ3 LYS 4 10.229 1.210 -3.561
49 H VAL 5 H VAL 5 7.634 6.042 -7.577
50 HA VAL 5 HA VAL 5 6.334 5.681 -10.196
51 HB VAL 5 HB VAL 5 7.897 8.057 -9.174
52 HG11 VAL 5 HG11 VAL 5 8.228 7.820 -11.543
53 HG12 VAL 5 HG12 VAL 5 6.500 7.582 -11.803
54 HG13 VAL 5 HG13 VAL 5 7.102 9.148 -11.259
55 HG21 VAL 5 HG21 VAL 5 5.687 7.823 -8.136
56 HG22 VAL 5 HG22 VAL 5 5.759 9.226 -9.202
57 HG23 VAL 5 HG23 VAL 5 4.947 7.754 -9.735
58 H ILE 6 H ILE 6 7.521 5.110 -11.940
59 HA ILE 6 HA ILE 6 10.434 5.162 -11.792
60 HB ILE 6 HB ILE 6 9.454 2.631 -12.889
61 HG12 ILE 6 HG12 ILE 6 9.124 3.243 -9.947
62 HG13 ILE 6 HG13 ILE 6 7.863 2.759 -11.076
63 HG21 ILE 6 HG21 ILE 6 11.847 3.532 -12.275
64 HG22 ILE 6 HG22 ILE 6 11.443 2.876 -10.688
65 HG23 ILE 6 HG23 ILE 6 11.447 1.823 -12.103
66 HD11 ILE 6 HD11 ILE 6 8.486 0.912 -9.655
67 HD12 ILE 6 HD12 ILE 6 8.948 0.576 -11.324
68 HD13 ILE 6 HD13 ILE 6 10.171 1.066 -10.152
69 H TRP 7 H TRP 7 10.773 6.453 -13.505
70 HA TRP 7 HA TRP 7 9.194 6.354 -15.883
71 HB2 TRP 7 HB2 TRP 7 10.369 8.401 -15.025
72 HB3 TRP 7 HB3 TRP 7 11.893 7.664 -15.510
73 HD1 TRP 7 HD1 TRP 7 8.969 9.603 -16.867
74 HE1 TRP 7 HE1 TRP 7 9.327 10.059 -19.375
75 HE3 TRP 7 HE3 TRP 7 12.978 6.537 -17.686
76 HZ2 TRP 7 HZ2 TRP 7 11.077 9.229 -21.428
77 HZ3 TRP 7 HZ3 TRP 7 13.933 6.425 -19.951
78 HH2 TRP 7 HH2 TRP 7 13.001 7.744 -21.782
79 H LYS 8 H LYS 8 12.378 5.143 -14.953
80 HA LYS 8 HA LYS 8 13.354 4.330 -17.405
81 HB2 LYS 8 HB2 LYS 8 13.639 2.805 -14.811
82 HB3 LYS 8 HB3 LYS 8 14.719 2.729 -16.197
83 HG2 LYS 8 HG2 LYS 8 15.921 4.378 -15.351
84 HG3 LYS 8 HG3 LYS 8 14.515 5.443 -15.415
85 HD2 LYS 8 HD2 LYS 8 15.102 5.494 -13.168
86 HD3 LYS 8 HD3 LYS 8 13.825 4.276 -13.212
87 HE2 LYS 8 HE2 LYS 8 16.567 3.282 -13.638
88 HE3 LYS 8 HE3 LYS 8 16.224 3.912 -12.028
89 HZ1 LYS 8 HZ1 LYS 8 14.161 2.424 -12.164
90 HZ2 LYS 8 HZ2 LYS 8 14.968 1.637 -13.425
91 HZ3 LYS 8 HZ3 LYS 8 15.657 1.686 -11.880
92 H SER 9 H SER 9 10.961 2.786 -15.349
93 HA SER 9 HA SER 9 10.837 0.271 -16.510
94 HB2 SER 9 HB2 SER 9 9.445 0.286 -14.713
95 HB3 SER 9 HB3 SER 9 8.993 1.974 -14.950
96 HG SER 9 HG SER 9 7.221 1.227 -15.774
97 H PHE 10 H PHE 10 9.456 3.317 -17.589
98 HA PHE 10 HA PHE 10 8.033 2.063 -19.778
99 HB2 PHE 10 HB2 PHE 10 8.420 4.968 -19.031
100 HB3 PHE 10 HB3 PHE 10 7.434 4.413 -20.379
101 HD1 PHE 10 HD1 PHE 10 7.778 4.315 -16.701
102 HD2 PHE 10 HD2 PHE 10 5.230 3.671 -20.049
103 HE1 PHE 10 HE1 PHE 10 5.855 4.072 -15.186
104 HE2 PHE 10 HE2 PHE 10 3.302 3.428 -18.539
105 HZ PHE 10 HZ PHE 10 3.613 3.629 -16.105
106 H LEU 11 H LEU 11 10.931 4.003 -19.285
107 HA LEU 11 HA LEU 11 12.636 4.608 -20.673
108 HB2 LEU 11 HB2 LEU 11 12.355 1.893 -20.733
109 HB3 LEU 11 HB3 LEU 11 12.316 2.298 -22.447
110 HG LEU 11 HG LEU 11 14.531 3.073 -20.551
111 HD11 LEU 11 HD11 LEU 11 13.972 0.547 -21.551
112 HD12 LEU 11 HD12 LEU 11 15.205 1.189 -22.637
113 HD13 LEU 11 HD13 LEU 11 15.512 1.111 -20.902
114 HD21 LEU 11 HD21 LEU 11 14.598 3.077 -23.551
115 HD22 LEU 11 HD22 LEU 11 14.050 4.480 -22.634
116 HD23 LEU 11 HD23 LEU 11 15.691 3.871 -22.418
Start of MODEL 10
1 H1 LYS 1 H LYS 1 3.718 3.517 2.671
2 HA LYS 1 HA LYS 1 3.670 4.999 0.233
3 HB2 LYS 1 HB2 LYS 1 5.692 3.162 1.502
4 HB3 LYS 1 HB3 LYS 1 5.957 3.885 -0.078
5 HG2 LYS 1 HG2 LYS 1 5.159 5.908 1.784
6 HG3 LYS 1 HG3 LYS 1 6.515 4.986 2.439
7 HD2 LYS 1 HD2 LYS 1 7.952 5.709 0.836
8 HD3 LYS 1 HD3 LYS 1 6.700 5.781 -0.406
9 HE2 LYS 1 HE2 LYS 1 6.668 7.720 1.870
10 HE3 LYS 1 HE3 LYS 1 7.757 7.980 0.508
11 HZ1 LYS 1 HZ1 LYS 1 6.072 8.815 -0.631
12 HZ2 LYS 1 HZ2 LYS 1 5.221 7.359 -0.500
13 HZ3 LYS 1 HZ3 LYS 1 5.026 8.562 0.674
14 H PHE 2 H PHE 2 2.198 4.171 -1.200
15 HA PHE 2 HA PHE 2 2.823 1.500 -2.266
16 HB2 PHE 2 HB2 PHE 2 0.313 2.477 -1.168
17 HB3 PHE 2 HB3 PHE 2 0.127 1.904 -2.822
18 HD1 PHE 2 HD1 PHE 2 -0.269 -0.331 -3.181
19 HD2 PHE 2 HD2 PHE 2 1.661 0.877 0.415
20 HE1 PHE 2 HE1 PHE 2 -0.332 -2.654 -2.371
21 HE2 PHE 2 HE2 PHE 2 1.601 -1.444 1.231
22 HZ PHE 2 HZ PHE 2 0.605 -3.213 -0.163
23 H LYS 3 H LYS 3 1.874 1.208 -4.511
24 HA LYS 3 HA LYS 3 2.000 1.799 -6.709
25 HB2 LYS 3 HB2 LYS 3 0.824 4.439 -5.857
26 HB3 LYS 3 HB3 LYS 3 0.605 3.597 -7.385
27 HG2 LYS 3 HG2 LYS 3 -0.451 2.702 -4.711
28 HG3 LYS 3 HG3 LYS 3 -1.389 3.456 -6.003
29 HD2 LYS 3 HD2 LYS 3 -1.008 1.580 -7.452
30 HD3 LYS 3 HD3 LYS 3 0.119 0.861 -6.300
31 HE2 LYS 3 HE2 LYS 3 -1.729 -0.335 -5.747
32 HE3 LYS 3 HE3 LYS 3 -2.010 1.063 -4.711
33 HZ1 LYS 3 HZ1 LYS 3 -3.724 1.772 -5.975
34 HZ2 LYS 3 HZ2 LYS 3 -3.057 1.212 -7.426
35 HZ3 LYS 3 HZ3 LYS 3 -3.830 0.132 -6.378
36 H LYS 4 H LYS 4 4.396 1.896 -6.240
37 HA LYS 4 HA LYS 4 5.656 4.449 -6.024
38 HB2 LYS 4 HB2 LYS 4 7.724 3.270 -6.312
39 HB3 LYS 4 HB3 LYS 4 6.683 2.289 -5.289
40 HG2 LYS 4 HG2 LYS 4 6.053 1.009 -7.371
41 HG3 LYS 4 HG3 LYS 4 7.369 1.862 -8.182
42 HD2 LYS 4 HD2 LYS 4 8.994 0.763 -6.996
43 HD3 LYS 4 HD3 LYS 4 7.948 0.501 -5.599
44 HE2 LYS 4 HE2 LYS 4 7.483 -1.546 -6.320
45 HE3 LYS 4 HE3 LYS 4 6.833 -0.881 -7.818
46 HZ1 LYS 4 HZ1 LYS 4 9.571 -1.837 -7.265
47 HZ2 LYS 4 HZ2 LYS 4 8.519 -2.299 -8.507
48 HZ3 LYS 4 HZ3 LYS 4 9.262 -0.779 -8.549
49 H VAL 5 H VAL 5 7.366 5.063 -7.728
50 HA VAL 5 HA VAL 5 6.011 5.124 -10.331
51 HB VAL 5 HB VAL 5 8.275 6.885 -9.391
52 HG11 VAL 5 HG11 VAL 5 6.948 8.290 -11.274
53 HG12 VAL 5 HG12 VAL 5 8.340 7.261 -11.613
54 HG13 VAL 5 HG13 VAL 5 6.706 6.649 -11.872
55 HG21 VAL 5 HG21 VAL 5 5.328 7.096 -9.035
56 HG22 VAL 5 HG22 VAL 5 6.634 7.571 -7.949
57 HG23 VAL 5 HG23 VAL 5 6.245 8.569 -9.351
58 H ILE 6 H ILE 6 7.119 4.695 -12.251
59 HA ILE 6 HA ILE 6 9.777 3.469 -11.982
60 HB ILE 6 HB ILE 6 8.682 1.983 -13.990
61 HG12 ILE 6 HG12 ILE 6 6.448 3.082 -13.205
62 HG13 ILE 6 HG13 ILE 6 6.488 1.354 -13.541
63 HG21 ILE 6 HG21 ILE 6 8.846 1.398 -11.040
64 HG22 ILE 6 HG22 ILE 6 8.539 0.171 -12.270
65 HG23 ILE 6 HG23 ILE 6 10.060 1.063 -12.275
66 HD11 ILE 6 HD11 ILE 6 5.388 2.352 -11.354
67 HD12 ILE 6 HD12 ILE 6 6.202 0.788 -11.368
68 HD13 ILE 6 HD13 ILE 6 7.045 2.215 -10.766
69 H TRP 7 H TRP 7 10.896 5.079 -12.979
70 HA TRP 7 HA TRP 7 9.972 6.324 -15.395
71 HB2 TRP 7 HB2 TRP 7 11.378 7.504 -13.717
72 HB3 TRP 7 HB3 TRP 7 12.716 6.434 -14.126
73 HD1 TRP 7 HD1 TRP 7 10.974 9.572 -15.253
74 HE1 TRP 7 HE1 TRP 7 12.176 10.531 -17.317
75 HE3 TRP 7 HE3 TRP 7 14.053 5.629 -16.303
76 HZ2 TRP 7 HZ2 TRP 7 14.165 9.721 -19.149
77 HZ3 TRP 7 HZ3 TRP 7 15.575 5.801 -18.229
78 HH2 TRP 7 HH2 TRP 7 15.628 7.805 -19.622
79 H LYS 8 H LYS 8 12.264 3.791 -14.559
80 HA LYS 8 HA LYS 8 13.553 3.533 -17.029
81 HB2 LYS 8 HB2 LYS 8 12.919 1.275 -15.127
82 HB3 LYS 8 HB3 LYS 8 14.240 1.352 -16.285
83 HG2 LYS 8 HG2 LYS 8 15.487 2.038 -14.577
84 HG3 LYS 8 HG3 LYS 8 14.655 3.586 -14.746
85 HD2 LYS 8 HD2 LYS 8 14.140 3.251 -12.576
86 HD3 LYS 8 HD3 LYS 8 12.866 2.228 -13.243
87 HE2 LYS 8 HE2 LYS 8 15.586 1.323 -12.305
88 HE3 LYS 8 HE3 LYS 8 14.054 1.063 -11.473
89 HZ1 LYS 8 HZ1 LYS 8 14.514 -0.923 -12.601
90 HZ2 LYS 8 HZ2 LYS 8 13.344 -0.154 -13.551
91 HZ3 LYS 8 HZ3 LYS 8 14.968 -0.128 -14.024
92 H SER 9 H SER 9 10.487 2.267 -15.872
93 HA SER 9 HA SER 9 9.964 0.370 -17.834
94 HB2 SER 9 HB2 SER 9 8.603 0.883 -15.739
95 HB3 SER 9 HB3 SER 9 7.855 2.186 -16.662
96 HG SER 9 HG SER 9 6.739 0.770 -17.760
97 H PHE 10 H PHE 10 9.608 3.865 -17.909
98 HA PHE 10 HA PHE 10 8.285 3.872 -20.468
99 HB2 PHE 10 HB2 PHE 10 9.456 6.084 -18.775
100 HB3 PHE 10 HB3 PHE 10 8.650 6.361 -20.316
101 HD1 PHE 10 HD1 PHE 10 8.233 5.997 -16.810
102 HD2 PHE 10 HD2 PHE 10 6.236 5.524 -20.539
103 HE1 PHE 10 HE1 PHE 10 6.063 6.071 -15.653
104 HE2 PHE 10 HE2 PHE 10 4.062 5.598 -19.388
105 HZ PHE 10 HZ PHE 10 3.974 5.873 -16.942
106 H LEU 11 H LEU 11 11.535 4.560 -19.251
107 HA LEU 11 HA LEU 11 13.528 4.898 -20.305
108 HB2 LEU 11 HB2 LEU 11 12.491 2.502 -21.101
109 HB3 LEU 11 HB3 LEU 11 12.825 3.282 -22.646
110 HG LEU 11 HG LEU 11 14.862 2.859 -20.460
111 HD11 LEU 11 HD11 LEU 11 13.799 0.852 -21.856
112 HD12 LEU 11 HD12 LEU 11 14.998 1.397 -23.029
113 HD13 LEU 11 HD13 LEU 11 15.505 0.907 -21.413
114 HD21 LEU 11 HD21 LEU 11 15.371 3.534 -23.340
115 HD22 LEU 11 HD22 LEU 11 15.123 4.786 -22.123
116 HD23 LEU 11 HD23 LEU 11 16.467 3.656 -21.964
Start of MODEL 11
1 H1 LYS 1 H LYS 1 -0.367 0.623 -1.530
2 HA LYS 1 HA LYS 1 0.429 1.764 0.270
3 HB2 LYS 1 HB2 LYS 1 2.283 -0.596 0.245
4 HB3 LYS 1 HB3 LYS 1 2.545 0.725 1.376
5 HG2 LYS 1 HG2 LYS 1 -0.144 -0.557 1.198
6 HG3 LYS 1 HG3 LYS 1 1.156 -1.351 2.090
7 HD2 LYS 1 HD2 LYS 1 1.002 0.091 3.794
8 HD3 LYS 1 HD3 LYS 1 0.919 1.485 2.714
9 HE2 LYS 1 HE2 LYS 1 -1.411 1.290 2.470
10 HE3 LYS 1 HE3 LYS 1 -1.426 -0.347 3.126
11 HZ1 LYS 1 HZ1 LYS 1 -0.337 1.384 5.046
12 HZ2 LYS 1 HZ2 LYS 1 -1.788 2.057 4.495
13 HZ3 LYS 1 HZ3 LYS 1 -1.770 0.489 5.131
14 H PHE 2 H PHE 2 2.821 0.816 -2.130
15 HA PHE 2 HA PHE 2 4.085 3.459 -1.813
16 HB2 PHE 2 HB2 PHE 2 5.329 0.794 -2.486
17 HB3 PHE 2 HB3 PHE 2 6.150 2.323 -2.784
18 HD1 PHE 2 HD1 PHE 2 7.142 3.557 -1.017
19 HD2 PHE 2 HD2 PHE 2 4.811 0.097 -0.177
20 HE1 PHE 2 HE1 PHE 2 7.969 3.567 1.301
21 HE2 PHE 2 HE2 PHE 2 5.632 0.101 2.142
22 HZ PHE 2 HZ PHE 2 7.213 1.838 2.884
23 H LYS 3 H LYS 3 3.681 4.747 -3.471
24 HA LYS 3 HA LYS 3 3.144 3.549 -6.104
25 HB2 LYS 3 HB2 LYS 3 2.355 6.241 -4.975
26 HB3 LYS 3 HB3 LYS 3 2.043 5.726 -6.628
27 HG2 LYS 3 HG2 LYS 3 0.366 4.322 -6.024
28 HG3 LYS 3 HG3 LYS 3 1.083 3.960 -4.452
29 HD2 LYS 3 HD2 LYS 3 0.399 6.731 -4.544
30 HD3 LYS 3 HD3 LYS 3 -0.998 5.779 -5.052
31 HE2 LYS 3 HE2 LYS 3 -0.870 4.456 -3.028
32 HE3 LYS 3 HE3 LYS 3 0.596 5.302 -2.536
33 HZ1 LYS 3 HZ1 LYS 3 -0.574 7.018 -1.759
34 HZ2 LYS 3 HZ2 LYS 3 -1.622 7.051 -3.088
35 HZ3 LYS 3 HZ3 LYS 3 -1.912 5.984 -1.807
36 H LYS 4 H LYS 4 5.790 3.723 -5.377
37 HA LYS 4 HA LYS 4 7.168 6.045 -5.999
38 HB2 LYS 4 HB2 LYS 4 7.814 3.146 -6.031
39 HB3 LYS 4 HB3 LYS 4 8.909 4.213 -6.899
40 HG2 LYS 4 HG2 LYS 4 9.630 3.785 -4.593
41 HG3 LYS 4 HG3 LYS 4 9.316 5.495 -4.897
42 HD2 LYS 4 HD2 LYS 4 7.031 3.924 -3.889
43 HD3 LYS 4 HD3 LYS 4 8.368 4.150 -2.759
44 HE2 LYS 4 HE2 LYS 4 7.837 6.289 -2.426
45 HE3 LYS 4 HE3 LYS 4 7.710 6.601 -4.156
46 HZ1 LYS 4 HZ1 LYS 4 5.544 5.108 -2.881
47 HZ2 LYS 4 HZ2 LYS 4 5.639 6.768 -2.567
48 HZ3 LYS 4 HZ3 LYS 4 5.487 6.216 -4.159
49 H VAL 5 H VAL 5 8.482 6.504 -7.942
50 HA VAL 5 HA VAL 5 6.835 6.539 -10.271
51 HB VAL 5 HB VAL 5 9.761 7.264 -10.098
52 HG11 VAL 5 HG11 VAL 5 8.611 8.964 -11.876
53 HG12 VAL 5 HG12 VAL 5 9.435 7.467 -12.312
54 HG13 VAL 5 HG13 VAL 5 7.679 7.493 -12.153
55 HG21 VAL 5 HG21 VAL 5 9.045 9.539 -9.623
56 HG22 VAL 5 HG22 VAL 5 7.358 9.024 -9.617
57 HG23 VAL 5 HG23 VAL 5 8.463 8.438 -8.374
58 H ILE 6 H ILE 6 6.786 5.193 -11.956
59 HA ILE 6 HA ILE 6 8.933 3.188 -12.197
60 HB ILE 6 HB ILE 6 6.078 2.681 -13.002
61 HG12 ILE 6 HG12 ILE 6 7.428 2.039 -10.372
62 HG13 ILE 6 HG13 ILE 6 6.064 3.125 -10.611
63 HG21 ILE 6 HG21 ILE 6 8.391 1.341 -13.588
64 HG22 ILE 6 HG22 ILE 6 7.784 0.458 -12.187
65 HG23 ILE 6 HG23 ILE 6 6.771 0.646 -13.618
66 HD11 ILE 6 HD11 ILE 6 4.684 1.243 -11.305
67 HD12 ILE 6 HD12 ILE 6 6.052 0.153 -11.078
68 HD13 ILE 6 HD13 ILE 6 5.355 0.993 -9.693
69 H TRP 7 H TRP 7 8.747 5.764 -13.515
70 HA TRP 7 HA TRP 7 7.850 5.369 -16.200
71 HB2 TRP 7 HB2 TRP 7 7.961 7.603 -15.141
72 HB3 TRP 7 HB3 TRP 7 9.717 7.478 -15.095
73 HD1 TRP 7 HD1 TRP 7 6.819 7.909 -17.582
74 HE1 TRP 7 HE1 TRP 7 7.764 8.882 -19.770
75 HE3 TRP 7 HE3 TRP 7 11.807 7.693 -16.479
76 HZ2 TRP 7 HZ2 TRP 7 10.289 9.478 -20.881
77 HZ3 TRP 7 HZ3 TRP 7 13.421 8.484 -18.159
78 HH2 TRP 7 HH2 TRP 7 12.676 9.357 -20.314
79 H LYS 8 H LYS 8 10.948 5.154 -14.540
80 HA LYS 8 HA LYS 8 12.659 4.976 -16.720
81 HB2 LYS 8 HB2 LYS 8 14.100 3.576 -15.171
82 HB3 LYS 8 HB3 LYS 8 13.626 5.158 -14.566
83 HG2 LYS 8 HG2 LYS 8 11.677 3.216 -13.784
84 HG3 LYS 8 HG3 LYS 8 13.290 2.662 -13.329
85 HD2 LYS 8 HD2 LYS 8 13.475 5.213 -12.543
86 HD3 LYS 8 HD3 LYS 8 11.733 4.990 -12.367
87 HE2 LYS 8 HE2 LYS 8 12.642 4.413 -10.279
88 HE3 LYS 8 HE3 LYS 8 12.292 2.877 -11.069
89 HZ1 LYS 8 HZ1 LYS 8 14.464 2.361 -11.226
90 HZ2 LYS 8 HZ2 LYS 8 14.956 3.956 -11.499
91 HZ3 LYS 8 HZ3 LYS 8 14.620 3.432 -9.926
92 H SER 9 H SER 9 10.589 2.537 -15.268
93 HA SER 9 HA SER 9 11.598 0.229 -16.403
94 HB2 SER 9 HB2 SER 9 9.841 0.027 -14.808
95 HB3 SER 9 HB3 SER 9 8.757 1.031 -15.770
96 HG SER 9 HG SER 9 9.780 -1.405 -16.764
97 H PHE 10 H PHE 10 9.567 2.709 -17.842
98 HA PHE 10 HA PHE 10 9.398 1.210 -20.343
99 HB2 PHE 10 HB2 PHE 10 8.107 3.775 -19.409
100 HB3 PHE 10 HB3 PHE 10 7.948 3.162 -21.051
101 HD1 PHE 10 HD1 PHE 10 7.227 2.418 -17.506
102 HD2 PHE 10 HD2 PHE 10 6.416 1.454 -21.572
103 HE1 PHE 10 HE1 PHE 10 5.333 1.018 -16.793
104 HE2 PHE 10 HE2 PHE 10 4.520 0.054 -20.866
105 HZ PHE 10 HZ PHE 10 3.976 -0.165 -18.474
106 H LEU 11 H LEU 11 10.677 4.252 -19.070
107 HA LEU 11 HA LEU 11 12.139 5.778 -19.925
108 HB2 LEU 11 HB2 LEU 11 13.315 3.314 -19.930
109 HB3 LEU 11 HB3 LEU 11 13.551 3.831 -21.598
110 HG LEU 11 HG LEU 11 14.431 5.399 -19.175
111 HD11 LEU 11 HD11 LEU 11 15.722 3.389 -19.269
112 HD12 LEU 11 HD12 LEU 11 15.962 3.562 -21.007
113 HD13 LEU 11 HD13 LEU 11 16.713 4.706 -19.895
114 HD21 LEU 11 HD21 LEU 11 15.314 5.766 -22.021
115 HD22 LEU 11 HD22 LEU 11 13.898 6.594 -21.374
116 HD23 LEU 11 HD23 LEU 11 15.485 6.871 -20.657
Start of MODEL 12
1 H1 LYS 1 H LYS 1 1.132 -0.636 -0.376
2 HA LYS 1 HA LYS 1 3.398 0.172 -0.414
3 HB2 LYS 1 HB2 LYS 1 4.568 0.167 -2.660
4 HB3 LYS 1 HB3 LYS 1 4.334 -1.409 -1.914
5 HG2 LYS 1 HG2 LYS 1 2.166 -0.595 -3.703
6 HG3 LYS 1 HG3 LYS 1 3.733 -0.791 -4.492
7 HD2 LYS 1 HD2 LYS 1 3.918 -3.043 -3.748
8 HD3 LYS 1 HD3 LYS 1 2.538 -2.864 -2.661
9 HE2 LYS 1 HE2 LYS 1 1.066 -3.280 -4.294
10 HE3 LYS 1 HE3 LYS 1 1.904 -2.228 -5.434
11 HZ1 LYS 1 HZ1 LYS 1 3.280 -4.699 -4.851
12 HZ2 LYS 1 HZ2 LYS 1 1.790 -4.904 -5.626
13 HZ3 LYS 1 HZ3 LYS 1 2.989 -3.946 -6.338
14 H PHE 2 H PHE 2 4.227 2.197 -1.445
15 HA PHE 2 HA PHE 2 2.012 3.979 -1.915
16 HB2 PHE 2 HB2 PHE 2 4.937 4.285 -1.423
17 HB3 PHE 2 HB3 PHE 2 4.087 5.613 -2.205
18 HD1 PHE 2 HD1 PHE 2 3.140 7.234 -0.884
19 HD2 PHE 2 HD2 PHE 2 3.760 3.349 0.739
20 HE1 PHE 2 HE1 PHE 2 2.365 8.032 1.311
21 HE2 PHE 2 HE2 PHE 2 2.985 4.140 2.936
22 HZ PHE 2 HZ PHE 2 2.286 6.484 3.224
23 H LYS 3 H LYS 3 2.577 5.797 -3.650
24 HA LYS 3 HA LYS 3 2.494 4.438 -6.190
25 HB2 LYS 3 HB2 LYS 3 2.231 7.326 -5.367
26 HB3 LYS 3 HB3 LYS 3 2.250 6.833 -7.055
27 HG2 LYS 3 HG2 LYS 3 0.191 5.855 -6.940
28 HG3 LYS 3 HG3 LYS 3 0.336 5.494 -5.218
29 HD2 LYS 3 HD2 LYS 3 0.410 8.269 -5.357
30 HD3 LYS 3 HD3 LYS 3 -0.816 7.803 -6.538
31 HE2 LYS 3 HE2 LYS 3 -2.054 6.606 -4.893
32 HE3 LYS 3 HE3 LYS 3 -0.750 6.752 -3.716
33 HZ1 LYS 3 HZ1 LYS 3 -2.896 8.482 -4.114
34 HZ2 LYS 3 HZ2 LYS 3 -1.611 8.655 -3.027
35 HZ3 LYS 3 HZ3 LYS 3 -1.501 9.319 -4.579
36 H LYS 4 H LYS 4 4.813 3.677 -5.664
37 HA LYS 4 HA LYS 4 6.988 5.446 -5.906
38 HB2 LYS 4 HB2 LYS 4 6.661 2.487 -6.306
39 HB3 LYS 4 HB3 LYS 4 8.191 3.274 -6.672
40 HG2 LYS 4 HG2 LYS 4 8.579 2.654 -4.520
41 HG3 LYS 4 HG3 LYS 4 7.875 4.249 -4.242
42 HD2 LYS 4 HD2 LYS 4 6.087 3.390 -3.206
43 HD3 LYS 4 HD3 LYS 4 5.874 2.138 -4.432
44 HE2 LYS 4 HE2 LYS 4 8.028 1.987 -2.341
45 HE3 LYS 4 HE3 LYS 4 6.400 1.374 -2.056
46 HZ1 LYS 4 HZ1 LYS 4 6.649 -0.119 -3.916
47 HZ2 LYS 4 HZ2 LYS 4 8.183 0.504 -4.266
48 HZ3 LYS 4 HZ3 LYS 4 7.925 -0.354 -2.831
49 H VAL 5 H VAL 5 8.106 6.222 -7.624
50 HA VAL 5 HA VAL 5 6.805 6.243 -10.173
51 HB VAL 5 HB VAL 5 9.526 7.308 -9.402
52 HG11 VAL 5 HG11 VAL 5 7.876 7.512 -11.887
53 HG12 VAL 5 HG12 VAL 5 8.960 8.827 -11.433
54 HG13 VAL 5 HG13 VAL 5 9.604 7.209 -11.711
55 HG21 VAL 5 HG21 VAL 5 7.566 9.331 -9.858
56 HG22 VAL 5 HG22 VAL 5 6.940 8.182 -8.675
57 HG23 VAL 5 HG23 VAL 5 8.483 8.987 -8.391
58 H ILE 6 H ILE 6 7.047 4.836 -11.772
59 HA ILE 6 HA ILE 6 9.505 3.210 -11.856
60 HB ILE 6 HB ILE 6 6.838 2.279 -12.896
61 HG12 ILE 6 HG12 ILE 6 8.056 1.810 -10.167
62 HG13 ILE 6 HG13 ILE 6 6.562 2.675 -10.513
63 HG21 ILE 6 HG21 ILE 6 9.374 1.326 -13.294
64 HG22 ILE 6 HG22 ILE 6 8.800 0.335 -11.953
65 HG23 ILE 6 HG23 ILE 6 7.889 0.388 -13.462
66 HD11 ILE 6 HD11 ILE 6 6.122 0.443 -9.666
67 HD12 ILE 6 HD12 ILE 6 5.555 0.612 -11.327
68 HD13 ILE 6 HD13 ILE 6 7.054 -0.255 -10.991
69 H TRP 7 H TRP 7 9.025 5.748 -13.174
70 HA TRP 7 HA TRP 7 8.312 5.441 -15.873
71 HB2 TRP 7 HB2 TRP 7 8.904 7.569 -14.318
72 HB3 TRP 7 HB3 TRP 7 10.403 7.438 -15.233
73 HD1 TRP 7 HD1 TRP 7 6.884 8.678 -15.503
74 HE1 TRP 7 HE1 TRP 7 6.467 9.619 -17.863
75 HE3 TRP 7 HE3 TRP 7 11.111 6.971 -17.817
76 HZ2 TRP 7 HZ2 TRP 7 7.759 9.635 -20.372
77 HZ3 TRP 7 HZ3 TRP 7 11.445 7.491 -20.199
78 HH2 TRP 7 HH2 TRP 7 9.802 8.796 -21.448
79 H LYS 8 H LYS 8 11.301 4.852 -14.163
80 HA LYS 8 HA LYS 8 13.166 4.827 -16.180
81 HB2 LYS 8 HB2 LYS 8 12.990 2.750 -13.993
82 HB3 LYS 8 HB3 LYS 8 14.437 3.261 -14.851
83 HG2 LYS 8 HG2 LYS 8 14.793 4.869 -13.376
84 HG3 LYS 8 HG3 LYS 8 13.188 5.542 -13.667
85 HD2 LYS 8 HD2 LYS 8 12.276 3.821 -12.092
86 HD3 LYS 8 HD3 LYS 8 13.941 3.380 -11.705
87 HE2 LYS 8 HE2 LYS 8 13.030 4.930 -10.055
88 HE3 LYS 8 HE3 LYS 8 14.372 5.655 -10.937
89 HZ1 LYS 8 HZ1 LYS 8 13.056 7.226 -11.789
90 HZ2 LYS 8 HZ2 LYS 8 11.793 6.150 -12.120
91 HZ3 LYS 8 HZ3 LYS 8 11.962 6.805 -10.569
92 H SER 9 H SER 9 10.695 2.438 -15.468
93 HA SER 9 HA SER 9 11.697 0.503 -17.338
94 HB2 SER 9 HB2 SER 9 9.230 0.752 -15.651
95 HB3 SER 9 HB3 SER 9 9.277 -0.437 -16.953
96 HG SER 9 HG SER 9 10.605 -1.615 -15.820
97 H PHE 10 H PHE 10 9.281 3.053 -17.367
98 HA PHE 10 HA PHE 10 7.958 2.401 -19.737
99 HB2 PHE 10 HB2 PHE 10 8.417 4.963 -18.252
100 HB3 PHE 10 HB3 PHE 10 7.651 5.002 -19.836
101 HD1 PHE 10 HD1 PHE 10 7.367 2.848 -16.797
102 HD2 PHE 10 HD2 PHE 10 5.378 5.212 -19.724
103 HE1 PHE 10 HE1 PHE 10 5.204 2.309 -15.757
104 HE2 PHE 10 HE2 PHE 10 3.211 4.678 -18.688
105 HZ PHE 10 HZ PHE 10 3.122 3.226 -16.701
106 H LEU 11 H LEU 11 11.015 4.013 -19.181
107 HA LEU 11 HA LEU 11 11.495 5.237 -21.592
108 HB2 LEU 11 HB2 LEU 11 13.012 4.435 -19.357
109 HB3 LEU 11 HB3 LEU 11 13.864 3.844 -20.783
110 HG LEU 11 HG LEU 11 13.176 6.510 -21.340
111 HD11 LEU 11 HD11 LEU 11 14.065 7.766 -19.511
112 HD12 LEU 11 HD12 LEU 11 12.779 6.732 -18.891
113 HD13 LEU 11 HD13 LEU 11 14.467 6.294 -18.627
114 HD21 LEU 11 HD21 LEU 11 15.538 6.820 -21.473
115 HD22 LEU 11 HD22 LEU 11 15.836 5.443 -20.412
116 HD23 LEU 11 HD23 LEU 11 15.183 5.184 -22.029
Start of MODEL 13
1 H1 LYS 1 H LYS 1 4.916 -0.635 -1.312
2 HA LYS 1 HA LYS 1 4.865 -0.293 -4.207
3 HB2 LYS 1 HB2 LYS 1 3.228 -2.303 -2.688
4 HB3 LYS 1 HB3 LYS 1 2.622 -1.598 -4.181
5 HG2 LYS 1 HG2 LYS 1 3.756 -3.108 -5.327
6 HG3 LYS 1 HG3 LYS 1 5.262 -2.441 -4.692
7 HD2 LYS 1 HD2 LYS 1 5.400 -4.015 -3.005
8 HD3 LYS 1 HD3 LYS 1 3.665 -4.339 -3.024
9 HE2 LYS 1 HE2 LYS 1 3.979 -5.368 -5.288
10 HE3 LYS 1 HE3 LYS 1 5.718 -5.206 -5.052
11 HZ1 LYS 1 HZ1 LYS 1 5.714 -6.760 -3.355
12 HZ2 LYS 1 HZ2 LYS 1 4.055 -6.610 -3.062
13 HZ3 LYS 1 HZ3 LYS 1 4.600 -7.414 -4.447
14 H PHE 2 H PHE 2 4.295 1.797 -4.255
15 HA PHE 2 HA PHE 2 1.705 2.524 -3.134
16 HB2 PHE 2 HB2 PHE 2 3.705 3.115 -1.550
17 HB3 PHE 2 HB3 PHE 2 3.982 4.424 -2.695
18 HD1 PHE 2 HD1 PHE 2 2.964 6.441 -2.298
19 HD2 PHE 2 HD2 PHE 2 1.198 2.897 -0.737
20 HE1 PHE 2 HE1 PHE 2 1.254 7.797 -1.162
21 HE2 PHE 2 HE2 PHE 2 -0.514 4.247 0.401
22 HZ PHE 2 HZ PHE 2 -0.488 6.701 0.189
23 H LYS 3 H LYS 3 2.977 2.107 -5.809
24 HA LYS 3 HA LYS 3 3.024 3.055 -7.881
25 HB2 LYS 3 HB2 LYS 3 0.926 4.950 -6.838
26 HB3 LYS 3 HB3 LYS 3 1.122 4.345 -8.478
27 HG2 LYS 3 HG2 LYS 3 0.314 2.694 -6.093
28 HG3 LYS 3 HG3 LYS 3 -0.776 3.313 -7.336
29 HD2 LYS 3 HD2 LYS 3 0.250 1.962 -9.014
30 HD3 LYS 3 HD3 LYS 3 1.563 1.506 -7.926
31 HE2 LYS 3 HE2 LYS 3 -0.164 0.425 -6.459
32 HE3 LYS 3 HE3 LYS 3 -1.340 0.719 -7.739
33 HZ1 LYS 3 HZ1 LYS 3 -0.416 -0.849 -9.078
34 HZ2 LYS 3 HZ2 LYS 3 1.142 -0.660 -8.446
35 HZ3 LYS 3 HZ3 LYS 3 -0.022 -1.529 -7.580
36 H LYS 4 H LYS 4 5.188 3.894 -7.217
37 HA LYS 4 HA LYS 4 5.229 6.816 -6.919
38 HB2 LYS 4 HB2 LYS 4 7.497 6.595 -6.157
39 HB3 LYS 4 HB3 LYS 4 6.510 5.431 -5.282
40 HG2 LYS 4 HG2 LYS 4 7.267 3.730 -7.019
41 HG3 LYS 4 HG3 LYS 4 8.477 4.926 -7.489
42 HD2 LYS 4 HD2 LYS 4 9.009 4.972 -4.933
43 HD3 LYS 4 HD3 LYS 4 8.205 3.401 -4.931
44 HE2 LYS 4 HE2 LYS 4 9.823 3.020 -7.009
45 HE3 LYS 4 HE3 LYS 4 10.781 4.226 -6.152
46 HZ1 LYS 4 HZ1 LYS 4 11.545 2.505 -4.987
47 HZ2 LYS 4 HZ2 LYS 4 10.051 2.502 -4.193
48 HZ3 LYS 4 HZ3 LYS 4 10.313 1.468 -5.507
49 H VAL 5 H VAL 5 6.904 7.997 -8.149
50 HA VAL 5 HA VAL 5 6.711 7.396 -10.927
51 HB VAL 5 HB VAL 5 8.527 9.421 -9.616
52 HG11 VAL 5 HG11 VAL 5 8.625 10.498 -11.705
53 HG12 VAL 5 HG12 VAL 5 8.864 8.786 -12.056
54 HG13 VAL 5 HG13 VAL 5 7.296 9.538 -12.355
55 HG21 VAL 5 HG21 VAL 5 6.410 10.848 -10.525
56 HG22 VAL 5 HG22 VAL 5 5.612 9.369 -9.990
57 HG23 VAL 5 HG23 VAL 5 6.596 10.298 -8.859
58 H ILE 6 H ILE 6 7.957 6.100 -12.092
59 HA ILE 6 HA ILE 6 10.789 5.830 -11.447
60 HB ILE 6 HB ILE 6 9.578 3.247 -12.107
61 HG12 ILE 6 HG12 ILE 6 8.944 4.601 -9.479
62 HG13 ILE 6 HG13 ILE 6 7.792 4.012 -10.672
63 HG21 ILE 6 HG21 ILE 6 11.967 4.079 -11.199
64 HG22 ILE 6 HG22 ILE 6 11.197 3.639 -9.674
65 HG23 ILE 6 HG23 ILE 6 11.350 2.444 -10.962
66 HD11 ILE 6 HD11 ILE 6 7.904 2.510 -8.789
67 HD12 ILE 6 HD12 ILE 6 8.537 1.720 -10.233
68 HD13 ILE 6 HD13 ILE 6 9.646 2.330 -9.005
69 H TRP 7 H TRP 7 11.574 6.607 -13.317
70 HA TRP 7 HA TRP 7 10.400 6.370 -15.842
71 HB2 TRP 7 HB2 TRP 7 12.075 8.048 -15.464
72 HB3 TRP 7 HB3 TRP 7 13.275 6.831 -15.035
73 HD1 TRP 7 HD1 TRP 7 15.028 6.859 -16.899
74 HE1 TRP 7 HE1 TRP 7 14.983 6.811 -19.472
75 HE3 TRP 7 HE3 TRP 7 9.977 7.159 -17.629
76 HZ2 TRP 7 HZ2 TRP 7 13.061 6.891 -21.538
77 HZ3 TRP 7 HZ3 TRP 7 9.117 7.168 -19.934
78 HH2 TRP 7 HH2 TRP 7 10.628 7.037 -21.847
79 H LYS 8 H LYS 8 12.655 4.281 -14.140
80 HA LYS 8 HA LYS 8 13.471 2.641 -16.235
81 HB2 LYS 8 HB2 LYS 8 12.963 1.872 -13.354
82 HB3 LYS 8 HB3 LYS 8 13.906 0.937 -14.507
83 HG2 LYS 8 HG2 LYS 8 15.703 2.045 -13.849
84 HG3 LYS 8 HG3 LYS 8 15.004 3.512 -14.539
85 HD2 LYS 8 HD2 LYS 8 15.257 4.245 -12.405
86 HD3 LYS 8 HD3 LYS 8 13.682 3.471 -12.217
87 HE2 LYS 8 HE2 LYS 8 16.319 2.119 -11.665
88 HE3 LYS 8 HE3 LYS 8 15.327 2.897 -10.433
89 HZ1 LYS 8 HZ1 LYS 8 13.514 1.362 -11.059
90 HZ2 LYS 8 HZ2 LYS 8 14.577 0.561 -12.104
91 HZ3 LYS 8 HZ3 LYS 8 14.872 0.565 -10.438
92 H SER 9 H SER 9 10.514 2.609 -14.339
93 HA SER 9 HA SER 9 9.589 0.144 -15.544
94 HB2 SER 9 HB2 SER 9 8.901 0.416 -13.296
95 HB3 SER 9 HB3 SER 9 8.387 2.081 -13.570
96 HG SER 9 HG SER 9 6.696 0.391 -13.473
97 H PHE 10 H PHE 10 8.985 3.599 -15.824
98 HA PHE 10 HA PHE 10 6.718 3.475 -17.479
99 HB2 PHE 10 HB2 PHE 10 8.858 5.576 -17.143
100 HB3 PHE 10 HB3 PHE 10 7.462 5.803 -18.191
101 HD1 PHE 10 HD1 PHE 10 8.573 7.030 -15.373
102 HD2 PHE 10 HD2 PHE 10 5.300 4.618 -16.634
103 HE1 PHE 10 HE1 PHE 10 7.260 7.810 -13.444
104 HE2 PHE 10 HE2 PHE 10 3.982 5.394 -14.707
105 HZ PHE 10 HZ PHE 10 4.961 6.993 -13.110
106 H LEU 11 H LEU 11 10.155 3.328 -18.182
107 HA LEU 11 HA LEU 11 9.665 3.313 -21.054
108 HB2 LEU 11 HB2 LEU 11 11.580 4.486 -20.758
109 HB3 LEU 11 HB3 LEU 11 12.016 3.612 -19.292
110 HG LEU 11 HG LEU 11 12.799 1.729 -20.663
111 HD11 LEU 11 HD11 LEU 11 11.234 2.292 -22.583
112 HD12 LEU 11 HD12 LEU 11 12.432 3.492 -23.067
113 HD13 LEU 11 HD13 LEU 11 12.868 1.784 -23.010
114 HD21 LEU 11 HD21 LEU 11 14.142 4.149 -21.778
115 HD22 LEU 11 HD22 LEU 11 14.175 3.862 -20.038
116 HD23 LEU 11 HD23 LEU 11 14.846 2.662 -21.142
Start of MODEL 14
1 H1 LYS 1 H LYS 1 3.271 -1.744 0.263
2 HA LYS 1 HA LYS 1 3.154 -1.447 -2.017
3 HB2 LYS 1 HB2 LYS 1 0.350 -0.612 -1.322
4 HB3 LYS 1 HB3 LYS 1 0.992 -0.371 -2.941
5 HG2 LYS 1 HG2 LYS 1 1.591 -2.903 -2.774
6 HG3 LYS 1 HG3 LYS 1 0.357 -2.908 -1.512
7 HD2 LYS 1 HD2 LYS 1 -0.615 -1.456 -3.776
8 HD3 LYS 1 HD3 LYS 1 -0.007 -3.025 -4.310
9 HE2 LYS 1 HE2 LYS 1 -2.132 -3.628 -3.755
10 HE3 LYS 1 HE3 LYS 1 -1.359 -3.852 -2.186
11 HZ1 LYS 1 HZ1 LYS 1 -2.083 -1.575 -1.612
12 HZ2 LYS 1 HZ2 LYS 1 -2.940 -1.499 -3.069
13 HZ3 LYS 1 HZ3 LYS 1 -3.375 -2.631 -1.890
14 H PHE 2 H PHE 2 3.125 0.426 -3.575
15 HA PHE 2 HA PHE 2 3.268 3.046 -2.307
16 HB2 PHE 2 HB2 PHE 2 5.594 1.851 -3.830
17 HB3 PHE 2 HB3 PHE 2 5.503 3.504 -3.230
18 HD1 PHE 2 HD1 PHE 2 5.415 3.896 -0.757
19 HD2 PHE 2 HD2 PHE 2 6.292 0.089 -2.446
20 HE1 PHE 2 HE1 PHE 2 6.388 3.174 1.384
21 HE2 PHE 2 HE2 PHE 2 7.265 -0.640 -0.307
22 HZ PHE 2 HZ PHE 2 7.313 0.903 1.612
23 H LYS 3 H LYS 3 3.316 4.807 -3.831
24 HA LYS 3 HA LYS 3 2.448 4.038 -6.540
25 HB2 LYS 3 HB2 LYS 3 0.954 6.045 -6.486
26 HB3 LYS 3 HB3 LYS 3 0.489 4.770 -5.368
27 HG2 LYS 3 HG2 LYS 3 0.424 6.311 -3.779
28 HG3 LYS 3 HG3 LYS 3 2.182 6.412 -3.896
29 HD2 LYS 3 HD2 LYS 3 1.442 7.982 -5.976
30 HD3 LYS 3 HD3 LYS 3 0.107 8.266 -4.857
31 HE2 LYS 3 HE2 LYS 3 2.767 8.317 -3.623
32 HE3 LYS 3 HE3 LYS 3 2.493 9.584 -4.817
33 HZ1 LYS 3 HZ1 LYS 3 0.212 9.606 -3.357
34 HZ2 LYS 3 HZ2 LYS 3 1.387 9.283 -2.183
35 HZ3 LYS 3 HZ3 LYS 3 1.515 10.666 -3.150
36 H LYS 4 H LYS 4 5.107 4.675 -5.750
37 HA LYS 4 HA LYS 4 5.727 7.388 -6.341
38 HB2 LYS 4 HB2 LYS 4 8.024 6.703 -6.306
39 HB3 LYS 4 HB3 LYS 4 7.185 5.841 -5.023
40 HG2 LYS 4 HG2 LYS 4 6.938 4.013 -6.926
41 HG3 LYS 4 HG3 LYS 4 8.388 4.818 -7.531
42 HD2 LYS 4 HD2 LYS 4 9.229 4.575 -5.086
43 HD3 LYS 4 HD3 LYS 4 7.971 3.344 -4.958
44 HE2 LYS 4 HE2 LYS 4 9.965 3.313 -7.198
45 HE3 LYS 4 HE3 LYS 4 10.343 2.607 -5.628
46 HZ1 LYS 4 HZ1 LYS 4 9.491 0.918 -7.073
47 HZ2 LYS 4 HZ2 LYS 4 8.343 1.214 -5.867
48 HZ3 LYS 4 HZ3 LYS 4 8.111 1.831 -7.425
49 H VAL 5 H VAL 5 7.658 7.510 -8.162
50 HA VAL 5 HA VAL 5 6.280 6.790 -10.657
51 HB VAL 5 HB VAL 5 8.388 8.900 -10.173
52 HG11 VAL 5 HG11 VAL 5 8.742 8.473 -12.378
53 HG12 VAL 5 HG12 VAL 5 7.122 7.823 -12.627
54 HG13 VAL 5 HG13 VAL 5 7.368 9.567 -12.538
55 HG21 VAL 5 HG21 VAL 5 5.522 8.901 -9.863
56 HG22 VAL 5 HG22 VAL 5 6.695 10.156 -9.462
57 HG23 VAL 5 HG23 VAL 5 6.022 10.065 -11.090
58 H ILE 6 H ILE 6 7.307 5.693 -12.279
59 HA ILE 6 HA ILE 6 10.086 4.857 -11.810
60 HB ILE 6 HB ILE 6 9.024 2.661 -13.048
61 HG12 ILE 6 HG12 ILE 6 6.747 3.801 -12.487
62 HG13 ILE 6 HG13 ILE 6 6.947 2.080 -12.174
63 HG21 ILE 6 HG21 ILE 6 9.456 3.205 -10.118
64 HG22 ILE 6 HG22 ILE 6 9.192 1.596 -10.790
65 HG23 ILE 6 HG23 ILE 6 10.609 2.531 -11.270
66 HD11 ILE 6 HD11 ILE 6 5.906 3.747 -10.398
67 HD12 ILE 6 HD12 ILE 6 6.862 2.342 -9.928
68 HD13 ILE 6 HD13 ILE 6 7.606 3.940 -9.972
69 H TRP 7 H TRP 7 10.981 6.070 -13.413
70 HA TRP 7 HA TRP 7 9.812 6.191 -16.046
71 HB2 TRP 7 HB2 TRP 7 10.938 8.161 -15.285
72 HB3 TRP 7 HB3 TRP 7 12.395 7.251 -14.895
73 HD1 TRP 7 HD1 TRP 7 14.189 8.061 -16.533
74 HE1 TRP 7 HE1 TRP 7 14.338 8.401 -19.080
75 HE3 TRP 7 HE3 TRP 7 9.328 7.070 -17.769
76 HZ2 TRP 7 HZ2 TRP 7 12.621 8.267 -21.317
77 HZ3 TRP 7 HZ3 TRP 7 8.663 7.198 -20.134
78 HH2 TRP 7 HH2 TRP 7 10.277 7.785 -21.870
79 H LYS 8 H LYS 8 12.463 4.506 -14.470
80 HA LYS 8 HA LYS 8 13.808 3.517 -16.694
81 HB2 LYS 8 HB2 LYS 8 13.359 2.132 -14.043
82 HB3 LYS 8 HB3 LYS 8 14.604 1.724 -15.216
83 HG2 LYS 8 HG2 LYS 8 15.972 3.236 -14.360
84 HG3 LYS 8 HG3 LYS 8 14.767 4.508 -14.569
85 HD2 LYS 8 HD2 LYS 8 13.698 3.675 -12.438
86 HD3 LYS 8 HD3 LYS 8 15.131 2.670 -12.211
87 HE2 LYS 8 HE2 LYS 8 15.817 4.491 -11.044
88 HE3 LYS 8 HE3 LYS 8 16.337 5.006 -12.648
89 HZ1 LYS 8 HZ1 LYS 8 15.131 6.757 -11.505
90 HZ2 LYS 8 HZ2 LYS 8 14.279 6.251 -12.877
91 HZ3 LYS 8 HZ3 LYS 8 13.778 5.755 -11.339
92 H SER 9 H SER 9 10.867 2.390 -15.135
93 HA SER 9 HA SER 9 10.715 0.006 -16.760
94 HB2 SER 9 HB2 SER 9 9.005 -0.650 -15.386
95 HB3 SER 9 HB3 SER 9 9.744 0.544 -14.319
96 HG SER 9 HG SER 9 7.365 0.655 -14.747
97 H PHE 10 H PHE 10 9.274 3.211 -16.694
98 HA PHE 10 HA PHE 10 7.260 2.774 -18.610
99 HB2 PHE 10 HB2 PHE 10 8.624 5.155 -17.460
100 HB3 PHE 10 HB3 PHE 10 7.740 5.381 -18.966
101 HD1 PHE 10 HD1 PHE 10 6.981 3.219 -16.035
102 HD2 PHE 10 HD2 PHE 10 5.829 6.556 -18.413
103 HE1 PHE 10 HE1 PHE 10 4.879 3.391 -14.768
104 HE2 PHE 10 HE2 PHE 10 3.725 6.734 -17.149
105 HZ PHE 10 HZ PHE 10 3.248 5.151 -15.324
106 H LEU 11 H LEU 11 10.660 3.606 -18.900
107 HA LEU 11 HA LEU 11 10.428 3.861 -21.798
108 HB2 LEU 11 HB2 LEU 11 11.872 5.487 -21.161
109 HB3 LEU 11 HB3 LEU 11 12.432 4.589 -19.753
110 HG LEU 11 HG LEU 11 13.851 3.212 -21.211
111 HD11 LEU 11 HD11 LEU 11 13.158 5.094 -23.448
112 HD12 LEU 11 HD12 LEU 11 14.087 3.596 -23.517
113 HD13 LEU 11 HD13 LEU 11 12.348 3.543 -23.230
114 HD21 LEU 11 HD21 LEU 11 15.466 4.699 -20.876
115 HD22 LEU 11 HD22 LEU 11 14.821 5.758 -22.131
116 HD23 LEU 11 HD23 LEU 11 14.224 5.886 -20.476
Start of MODEL 15
1 H1 LYS 1 H LYS 1 2.438 -2.336 -0.042
2 HA LYS 1 HA LYS 1 3.037 -1.315 -2.396
3 HB2 LYS 1 HB2 LYS 1 0.760 -2.167 -1.573
4 HB3 LYS 1 HB3 LYS 1 0.410 -0.490 -1.175
5 HG2 LYS 1 HG2 LYS 1 1.316 -0.334 -3.766
6 HG3 LYS 1 HG3 LYS 1 0.397 -1.841 -3.747
7 HD2 LYS 1 HD2 LYS 1 -0.825 0.520 -2.430
8 HD3 LYS 1 HD3 LYS 1 -0.742 0.527 -4.194
9 HE2 LYS 1 HE2 LYS 1 -2.824 -0.437 -3.668
10 HE3 LYS 1 HE3 LYS 1 -1.779 -1.788 -4.104
11 HZ1 LYS 1 HZ1 LYS 1 -3.212 -1.443 -1.751
12 HZ2 LYS 1 HZ2 LYS 1 -2.127 -2.687 -2.126
13 HZ3 LYS 1 HZ3 LYS 1 -1.578 -1.295 -1.337
14 H PHE 2 H PHE 2 3.992 0.471 -3.090
15 HA PHE 2 HA PHE 2 3.433 3.002 -1.689
16 HB2 PHE 2 HB2 PHE 2 5.940 2.107 -3.123
17 HB3 PHE 2 HB3 PHE 2 5.679 3.738 -2.512
18 HD1 PHE 2 HD1 PHE 2 4.534 3.397 0.080
19 HD2 PHE 2 HD2 PHE 2 7.531 1.065 -1.841
20 HE1 PHE 2 HE1 PHE 2 5.406 2.714 2.277
21 HE2 PHE 2 HE2 PHE 2 8.408 0.377 0.353
22 HZ PHE 2 HZ PHE 2 7.345 1.202 2.416
23 H LYS 3 H LYS 3 3.166 4.885 -2.918
24 HA LYS 3 HA LYS 3 2.467 4.389 -5.734
25 HB2 LYS 3 HB2 LYS 3 1.043 6.455 -5.483
26 HB3 LYS 3 HB3 LYS 3 0.526 5.068 -4.533
27 HG2 LYS 3 HG2 LYS 3 2.359 6.841 -3.113
28 HG3 LYS 3 HG3 LYS 3 0.843 7.609 -3.591
29 HD2 LYS 3 HD2 LYS 3 -0.394 6.347 -2.178
30 HD3 LYS 3 HD3 LYS 3 0.609 4.913 -2.414
31 HE2 LYS 3 HE2 LYS 3 2.335 5.899 -0.976
32 HE3 LYS 3 HE3 LYS 3 1.316 7.317 -0.732
33 HZ1 LYS 3 HZ1 LYS 3 -0.094 6.188 0.628
34 HZ2 LYS 3 HZ2 LYS 3 0.189 4.690 -0.105
35 HZ3 LYS 3 HZ3 LYS 3 1.329 5.336 0.966
36 H LYS 4 H LYS 4 4.832 4.672 -6.108
37 HA LYS 4 HA LYS 4 5.600 7.513 -6.161
38 HB2 LYS 4 HB2 LYS 4 7.897 6.807 -6.208
39 HB3 LYS 4 HB3 LYS 4 7.090 5.964 -4.893
40 HG2 LYS 4 HG2 LYS 4 6.889 4.368 -7.237
41 HG3 LYS 4 HG3 LYS 4 8.569 4.873 -7.038
42 HD2 LYS 4 HD2 LYS 4 8.237 4.164 -4.570
43 HD3 LYS 4 HD3 LYS 4 6.839 3.276 -5.182
44 HE2 LYS 4 HE2 LYS 4 8.714 2.515 -6.965
45 HE3 LYS 4 HE3 LYS 4 9.724 2.770 -5.542
46 HZ1 LYS 4 HZ1 LYS 4 7.721 1.382 -4.481
47 HZ2 LYS 4 HZ2 LYS 4 7.712 0.739 -6.046
48 HZ3 LYS 4 HZ3 LYS 4 9.118 0.663 -5.108
49 H VAL 5 H VAL 5 7.495 7.617 -8.034
50 HA VAL 5 HA VAL 5 6.029 6.962 -10.494
51 HB VAL 5 HB VAL 5 8.284 8.942 -10.146
52 HG11 VAL 5 HG11 VAL 5 6.804 7.916 -12.441
53 HG12 VAL 5 HG12 VAL 5 6.807 9.677 -12.339
54 HG13 VAL 5 HG13 VAL 5 8.333 8.793 -12.377
55 HG21 VAL 5 HG21 VAL 5 6.331 9.612 -8.839
56 HG22 VAL 5 HG22 VAL 5 6.561 10.675 -10.227
57 HG23 VAL 5 HG23 VAL 5 5.309 9.433 -10.265
58 H ILE 6 H ILE 6 6.909 5.733 -12.076
59 HA ILE 6 HA ILE 6 9.701 4.865 -11.767
60 HB ILE 6 HB ILE 6 8.398 2.674 -12.877
61 HG12 ILE 6 HG12 ILE 6 6.296 3.860 -11.955
62 HG13 ILE 6 HG13 ILE 6 6.521 2.156 -11.573
63 HG21 ILE 6 HG21 ILE 6 10.108 2.101 -11.504
64 HG22 ILE 6 HG22 ILE 6 9.720 3.349 -10.319
65 HG23 ILE 6 HG23 ILE 6 8.784 1.855 -10.364
66 HD11 ILE 6 HD11 ILE 6 5.896 4.042 -9.764
67 HD12 ILE 6 HD12 ILE 6 6.754 2.550 -9.378
68 HD13 ILE 6 HD13 ILE 6 7.655 4.045 -9.631
69 H TRP 7 H TRP 7 10.486 6.027 -13.471
70 HA TRP 7 HA TRP 7 9.149 6.045 -16.025
71 HB2 TRP 7 HB2 TRP 7 10.813 7.560 -16.729
72 HB3 TRP 7 HB3 TRP 7 10.554 7.943 -15.030
73 HD1 TRP 7 HD1 TRP 7 12.570 7.592 -13.376
74 HE1 TRP 7 HE1 TRP 7 15.060 7.042 -13.721
75 HE3 TRP 7 HE3 TRP 7 12.415 6.174 -18.285
76 HZ2 TRP 7 HZ2 TRP 7 16.737 6.128 -15.799
77 HZ3 TRP 7 HZ3 TRP 7 14.506 5.476 -19.377
78 HH2 TRP 7 HH2 TRP 7 16.621 5.455 -18.159
79 H LYS 8 H LYS 8 11.804 4.339 -14.519
80 HA LYS 8 HA LYS 8 13.139 3.304 -16.698
81 HB2 LYS 8 HB2 LYS 8 12.492 1.793 -14.161
82 HB3 LYS 8 HB3 LYS 8 13.827 1.473 -15.261
83 HG2 LYS 8 HG2 LYS 8 15.106 2.842 -14.090
84 HG3 LYS 8 HG3 LYS 8 14.019 4.180 -14.474
85 HD2 LYS 8 HD2 LYS 8 12.578 3.265 -12.536
86 HD3 LYS 8 HD3 LYS 8 14.039 2.392 -12.066
87 HE2 LYS 8 HE2 LYS 8 14.050 5.352 -12.573
88 HE3 LYS 8 HE3 LYS 8 13.625 4.681 -11.000
89 HZ1 LYS 8 HZ1 LYS 8 16.209 4.866 -12.293
90 HZ2 LYS 8 HZ2 LYS 8 15.820 4.837 -10.647
91 HZ3 LYS 8 HZ3 LYS 8 15.905 3.391 -11.521
92 H SER 9 H SER 9 10.061 2.323 -15.328
93 HA SER 9 HA SER 9 9.683 -0.140 -16.506
94 HB2 SER 9 HB2 SER 9 7.977 0.452 -15.049
95 HB3 SER 9 HB3 SER 9 7.816 2.070 -15.731
96 HG SER 9 HG SER 9 6.342 1.316 -17.008
97 H PHE 10 H PHE 10 9.411 3.054 -17.935
98 HA PHE 10 HA PHE 10 8.494 1.930 -20.467
99 HB2 PHE 10 HB2 PHE 10 8.918 4.780 -19.554
100 HB3 PHE 10 HB3 PHE 10 8.403 4.339 -21.178
101 HD1 PHE 10 HD1 PHE 10 7.407 4.763 -17.727
102 HD2 PHE 10 HD2 PHE 10 6.201 3.280 -21.530
103 HE1 PHE 10 HE1 PHE 10 5.066 4.733 -16.970
104 HE2 PHE 10 HE2 PHE 10 3.858 3.248 -20.779
105 HZ PHE 10 HZ PHE 10 3.288 3.976 -18.496
106 H LEU 11 H LEU 11 11.304 3.475 -19.034
107 HA LEU 11 HA LEU 11 13.417 3.856 -19.799
108 HB2 LEU 11 HB2 LEU 11 12.823 1.208 -20.098
109 HB3 LEU 11 HB3 LEU 11 13.371 1.641 -21.717
110 HG LEU 11 HG LEU 11 14.967 2.070 -19.193
111 HD11 LEU 11 HD11 LEU 11 15.631 -0.040 -19.303
112 HD12 LEU 11 HD12 LEU 11 14.456 -0.324 -20.587
113 HD13 LEU 11 HD13 LEU 11 16.101 0.165 -20.990
114 HD21 LEU 11 HD21 LEU 11 16.741 2.732 -20.564
115 HD22 LEU 11 HD22 LEU 11 15.967 2.109 -22.022
116 HD23 LEU 11 HD23 LEU 11 15.339 3.561 -21.242
Start of MODEL 16
1 H1 LYS 1 H LYS 1 3.139 -0.206 -7.861
2 HA LYS 1 HA LYS 1 2.148 2.024 -7.629
3 HB2 LYS 1 HB2 LYS 1 0.600 2.330 -5.669
4 HB3 LYS 1 HB3 LYS 1 -0.052 1.365 -6.986
5 HG2 LYS 1 HG2 LYS 1 1.311 -0.232 -4.969
6 HG3 LYS 1 HG3 LYS 1 -0.058 0.682 -4.332
7 HD2 LYS 1 HD2 LYS 1 -0.433 -0.772 -6.896
8 HD3 LYS 1 HD3 LYS 1 -0.350 -1.726 -5.413
9 HE2 LYS 1 HE2 LYS 1 -2.497 -1.258 -5.077
10 HE3 LYS 1 HE3 LYS 1 -2.037 0.425 -4.825
11 HZ1 LYS 1 HZ1 LYS 1 -2.135 -0.055 -7.579
12 HZ2 LYS 1 HZ2 LYS 1 -3.563 -0.660 -6.904
13 HZ3 LYS 1 HZ3 LYS 1 -3.129 0.957 -6.657
14 H PHE 2 H PHE 2 2.389 3.476 -5.554
15 HA PHE 2 HA PHE 2 3.801 4.315 -3.982
16 HB2 PHE 2 HB2 PHE 2 3.579 1.443 -3.280
17 HB3 PHE 2 HB3 PHE 2 4.917 2.324 -2.550
18 HD1 PHE 2 HD1 PHE 2 4.528 3.203 -0.476
19 HD2 PHE 2 HD2 PHE 2 1.278 2.858 -3.203
20 HE1 PHE 2 HE1 PHE 2 3.003 4.104 1.232
21 HE2 PHE 2 HE2 PHE 2 -0.252 3.758 -1.500
22 HZ PHE 2 HZ PHE 2 0.610 4.383 0.721
23 H LYS 3 H LYS 3 6.175 4.009 -3.079
24 HA LYS 3 HA LYS 3 8.378 4.240 -3.617
25 HB2 LYS 3 HB2 LYS 3 7.994 1.820 -5.371
26 HB3 LYS 3 HB3 LYS 3 9.442 2.311 -4.501
27 HG2 LYS 3 HG2 LYS 3 6.879 1.369 -3.229
28 HG3 LYS 3 HG3 LYS 3 8.334 0.395 -3.457
29 HD2 LYS 3 HD2 LYS 3 8.997 1.113 -1.453
30 HD3 LYS 3 HD3 LYS 3 9.236 2.698 -2.191
31 HE2 LYS 3 HE2 LYS 3 7.292 3.542 -1.334
32 HE3 LYS 3 HE3 LYS 3 6.494 1.970 -1.306
33 HZ1 LYS 3 HZ1 LYS 3 7.265 1.518 0.741
34 HZ2 LYS 3 HZ2 LYS 3 8.763 2.259 0.479
35 HZ3 LYS 3 HZ3 LYS 3 7.411 3.199 0.868
36 H LYS 4 H LYS 4 7.837 6.195 -4.823
37 HA LYS 4 HA LYS 4 7.948 7.569 -6.636
38 HB2 LYS 4 HB2 LYS 4 9.847 5.363 -7.400
39 HB3 LYS 4 HB3 LYS 4 9.581 6.748 -8.451
40 HG2 LYS 4 HG2 LYS 4 10.239 7.301 -5.617
41 HG3 LYS 4 HG3 LYS 4 11.526 6.672 -6.649
42 HD2 LYS 4 HD2 LYS 4 10.726 8.525 -8.300
43 HD3 LYS 4 HD3 LYS 4 10.009 9.242 -6.856
44 HE2 LYS 4 HE2 LYS 4 12.195 10.183 -7.186
45 HE3 LYS 4 HE3 LYS 4 12.235 9.141 -5.765
46 HZ1 LYS 4 HZ1 LYS 4 12.942 7.909 -8.308
47 HZ2 LYS 4 HZ2 LYS 4 14.049 9.025 -7.681
48 HZ3 LYS 4 HZ3 LYS 4 13.603 7.672 -6.768
49 H VAL 5 H VAL 5 7.942 7.387 -9.270
50 HA VAL 5 HA VAL 5 5.389 6.130 -9.839
51 HB VAL 5 HB VAL 5 7.101 7.767 -11.709
52 HG11 VAL 5 HG11 VAL 5 5.548 7.228 -13.204
53 HG12 VAL 5 HG12 VAL 5 4.602 6.375 -11.984
54 HG13 VAL 5 HG13 VAL 5 4.371 8.107 -12.228
55 HG21 VAL 5 HG21 VAL 5 5.135 8.592 -9.606
56 HG22 VAL 5 HG22 VAL 5 6.731 9.252 -9.960
57 HG23 VAL 5 HG23 VAL 5 5.381 9.578 -11.046
58 H ILE 6 H ILE 6 5.050 4.411 -11.144
59 HA ILE 6 HA ILE 6 7.085 2.555 -11.605
60 HB ILE 6 HB ILE 6 4.410 2.778 -12.990
61 HG12 ILE 6 HG12 ILE 6 5.283 1.169 -10.580
62 HG13 ILE 6 HG13 ILE 6 4.239 2.586 -10.548
63 HG21 ILE 6 HG21 ILE 6 4.706 0.365 -13.446
64 HG22 ILE 6 HG22 ILE 6 5.891 1.375 -14.275
65 HG23 ILE 6 HG23 ILE 6 6.353 0.479 -12.828
66 HD11 ILE 6 HD11 ILE 6 2.585 1.356 -11.893
67 HD12 ILE 6 HD12 ILE 6 3.622 -0.069 -11.819
68 HD13 ILE 6 HD13 ILE 6 2.920 0.588 -10.340
69 H TRP 7 H TRP 7 6.101 5.297 -13.437
70 HA TRP 7 HA TRP 7 6.795 4.642 -16.024
71 HB2 TRP 7 HB2 TRP 7 5.794 6.772 -15.557
72 HB3 TRP 7 HB3 TRP 7 7.146 7.245 -14.531
73 HD1 TRP 7 HD1 TRP 7 8.342 9.151 -15.751
74 HE1 TRP 7 HE1 TRP 7 9.203 9.554 -18.143
75 HE3 TRP 7 HE3 TRP 7 6.538 4.922 -17.987
76 HZ2 TRP 7 HZ2 TRP 7 9.127 8.252 -20.646
77 HZ3 TRP 7 HZ3 TRP 7 6.975 4.577 -20.383
78 HH2 TRP 7 HH2 TRP 7 8.243 6.209 -21.684
79 H LYS 8 H LYS 8 8.883 5.447 -13.316
80 HA LYS 8 HA LYS 8 11.286 5.891 -14.618
81 HB2 LYS 8 HB2 LYS 8 12.379 5.253 -12.553
82 HB3 LYS 8 HB3 LYS 8 10.924 6.169 -12.185
83 HG2 LYS 8 HG2 LYS 8 9.835 3.800 -12.003
84 HG3 LYS 8 HG3 LYS 8 11.505 3.279 -11.763
85 HD2 LYS 8 HD2 LYS 8 10.275 5.519 -10.178
86 HD3 LYS 8 HD3 LYS 8 10.154 3.832 -9.675
87 HE2 LYS 8 HE2 LYS 8 12.092 4.196 -8.618
88 HE3 LYS 8 HE3 LYS 8 12.824 4.090 -10.219
89 HZ1 LYS 8 HZ1 LYS 8 13.356 6.116 -8.781
90 HZ2 LYS 8 HZ2 LYS 8 12.947 6.387 -10.400
91 HZ3 LYS 8 HZ3 LYS 8 11.805 6.660 -9.183
92 H SER 9 H SER 9 9.659 2.862 -13.898
93 HA SER 9 HA SER 9 11.895 1.271 -14.829
94 HB2 SER 9 HB2 SER 9 10.294 0.597 -12.953
95 HB3 SER 9 HB3 SER 9 9.113 0.269 -14.221
96 HG SER 9 HG SER 9 11.029 -1.317 -13.362
97 H PHE 10 H PHE 10 8.698 2.243 -15.956
98 HA PHE 10 HA PHE 10 8.499 0.616 -18.208
99 HB2 PHE 10 HB2 PHE 10 7.306 3.192 -17.346
100 HB3 PHE 10 HB3 PHE 10 7.212 2.820 -19.064
101 HD1 PHE 10 HD1 PHE 10 6.992 0.578 -16.104
102 HD2 PHE 10 HD2 PHE 10 5.010 2.255 -19.476
103 HE1 PHE 10 HE1 PHE 10 5.049 -0.871 -15.678
104 HE2 PHE 10 HE2 PHE 10 3.064 0.810 -19.055
105 HZ PHE 10 HZ PHE 10 3.081 -0.755 -17.154
106 H LEU 11 H LEU 11 10.206 3.647 -17.724
107 HA LEU 11 HA LEU 11 11.030 3.696 -20.528
108 HB2 LEU 11 HB2 LEU 11 10.540 5.851 -20.020
109 HB3 LEU 11 HB3 LEU 11 10.935 5.651 -18.314
110 HG LEU 11 HG LEU 11 13.325 5.801 -18.862
111 HD11 LEU 11 HD11 LEU 11 12.506 6.562 -21.650
112 HD12 LEU 11 HD12 LEU 11 14.127 6.260 -21.024
113 HD13 LEU 11 HD13 LEU 11 12.993 4.923 -21.219
114 HD21 LEU 11 HD21 LEU 11 13.380 8.162 -19.309
115 HD22 LEU 11 HD22 LEU 11 11.760 8.111 -20.003
116 HD23 LEU 11 HD23 LEU 11 11.990 7.811 -18.281
Start of MODEL 17
1 H1 LYS 1 H LYS 1 0.190 3.591 0.413
2 HA LYS 1 HA LYS 1 1.586 1.307 0.613
3 HB2 LYS 1 HB2 LYS 1 -0.807 1.950 -1.083
4 HB3 LYS 1 HB3 LYS 1 -0.130 0.327 -1.075
5 HG2 LYS 1 HG2 LYS 1 -1.501 -0.044 0.640
6 HG3 LYS 1 HG3 LYS 1 -0.338 0.879 1.595
7 HD2 LYS 1 HD2 LYS 1 -1.603 2.909 1.246
8 HD3 LYS 1 HD3 LYS 1 -2.715 2.067 0.164
9 HE2 LYS 1 HE2 LYS 1 -2.336 1.060 2.948
10 HE3 LYS 1 HE3 LYS 1 -3.343 2.482 2.676
11 HZ1 LYS 1 HZ1 LYS 1 -4.986 1.200 1.965
12 HZ2 LYS 1 HZ2 LYS 1 -3.992 0.433 0.830
13 HZ3 LYS 1 HZ3 LYS 1 -4.086 -0.162 2.411
14 H PHE 2 H PHE 2 1.279 3.235 -2.328
15 HA PHE 2 HA PHE 2 3.404 1.587 -3.534
16 HB2 PHE 2 HB2 PHE 2 1.176 3.020 -4.997
17 HB3 PHE 2 HB3 PHE 2 2.438 2.036 -5.731
18 HD1 PHE 2 HD1 PHE 2 2.394 -0.381 -5.557
19 HD2 PHE 2 HD2 PHE 2 -0.679 2.011 -3.839
20 HE1 PHE 2 HE1 PHE 2 0.973 -2.377 -5.328
21 HE2 PHE 2 HE2 PHE 2 -2.105 0.019 -3.607
22 HZ PHE 2 HZ PHE 2 -1.279 -2.179 -4.350
23 H LYS 3 H LYS 3 5.226 2.724 -3.420
24 HA LYS 3 HA LYS 3 5.135 5.572 -4.174
25 HB2 LYS 3 HB2 LYS 3 7.129 5.868 -2.685
26 HB3 LYS 3 HB3 LYS 3 5.641 5.472 -1.836
27 HG2 LYS 3 HG2 LYS 3 6.731 3.833 -0.826
28 HG3 LYS 3 HG3 LYS 3 6.855 3.017 -2.387
29 HD2 LYS 3 HD2 LYS 3 8.884 4.764 -2.621
30 HD3 LYS 3 HD3 LYS 3 8.882 4.542 -0.870
31 HE2 LYS 3 HE2 LYS 3 8.638 2.060 -2.409
32 HE3 LYS 3 HE3 LYS 3 10.155 2.922 -2.659
33 HZ1 LYS 3 HZ1 LYS 3 10.609 2.857 -0.341
34 HZ2 LYS 3 HZ2 LYS 3 9.072 2.249 0.019
35 HZ3 LYS 3 HZ3 LYS 3 10.190 1.286 -0.809
36 H LYS 4 H LYS 4 5.457 3.508 -6.040
37 HA LYS 4 HA LYS 4 8.265 3.913 -6.836
38 HB2 LYS 4 HB2 LYS 4 8.168 1.699 -7.951
39 HB3 LYS 4 HB3 LYS 4 7.994 1.595 -6.204
40 HG2 LYS 4 HG2 LYS 4 5.398 1.773 -7.001
41 HG3 LYS 4 HG3 LYS 4 6.124 0.869 -8.332
42 HD2 LYS 4 HD2 LYS 4 7.106 -0.686 -6.650
43 HD3 LYS 4 HD3 LYS 4 6.203 0.170 -5.398
44 HE2 LYS 4 HE2 LYS 4 4.825 -1.630 -5.898
45 HE3 LYS 4 HE3 LYS 4 4.140 -0.327 -6.868
46 HZ1 LYS 4 HZ1 LYS 4 4.306 -1.790 -8.530
47 HZ2 LYS 4 HZ2 LYS 4 5.953 -1.401 -8.543
48 HZ3 LYS 4 HZ3 LYS 4 5.414 -2.772 -7.711
49 H VAL 5 H VAL 5 8.650 4.480 -8.936
50 HA VAL 5 HA VAL 5 6.280 5.160 -10.530
51 HB VAL 5 HB VAL 5 9.116 6.132 -10.896
52 HG11 VAL 5 HG11 VAL 5 6.624 6.469 -12.394
53 HG12 VAL 5 HG12 VAL 5 7.458 7.979 -12.025
54 HG13 VAL 5 HG13 VAL 5 8.296 6.700 -12.904
55 HG21 VAL 5 HG21 VAL 5 6.817 7.216 -9.316
56 HG22 VAL 5 HG22 VAL 5 8.515 7.070 -8.862
57 HG23 VAL 5 HG23 VAL 5 8.014 8.306 -10.015
58 H ILE 6 H ILE 6 6.000 4.437 -12.598
59 HA ILE 6 HA ILE 6 7.692 2.194 -13.406
60 HB ILE 6 HB ILE 6 5.019 3.106 -14.477
61 HG12 ILE 6 HG12 ILE 6 5.772 0.747 -12.737
62 HG13 ILE 6 HG13 ILE 6 4.907 2.183 -12.203
63 HG21 ILE 6 HG21 ILE 6 6.277 2.029 -16.226
64 HG22 ILE 6 HG22 ILE 6 6.690 0.690 -15.155
65 HG23 ILE 6 HG23 ILE 6 5.018 0.931 -15.661
66 HD11 ILE 6 HD11 ILE 6 3.939 0.119 -14.162
67 HD12 ILE 6 HD12 ILE 6 3.354 0.390 -12.521
68 HD13 ILE 6 HD13 ILE 6 3.083 1.609 -13.766
69 H TRP 7 H TRP 7 6.988 5.455 -14.243
70 HA TRP 7 HA TRP 7 7.541 5.541 -16.954
71 HB2 TRP 7 HB2 TRP 7 6.740 7.506 -15.831
72 HB3 TRP 7 HB3 TRP 7 8.155 7.549 -14.782
73 HD1 TRP 7 HD1 TRP 7 9.487 9.630 -15.450
74 HE1 TRP 7 HE1 TRP 7 10.316 10.656 -17.660
75 HE3 TRP 7 HE3 TRP 7 7.249 6.410 -18.731
76 HZ2 TRP 7 HZ2 TRP 7 10.055 10.166 -20.428
77 HZ3 TRP 7 HZ3 TRP 7 7.588 6.759 -21.142
78 HH2 TRP 7 HH2 TRP 7 8.962 8.599 -21.971
79 H LYS 8 H LYS 8 9.746 5.336 -14.228
80 HA LYS 8 HA LYS 8 12.131 5.862 -15.655
81 HB2 LYS 8 HB2 LYS 8 13.248 4.755 -13.713
82 HB3 LYS 8 HB3 LYS 8 12.131 6.036 -13.260
83 HG2 LYS 8 HG2 LYS 8 11.621 4.395 -11.735
84 HG3 LYS 8 HG3 LYS 8 10.423 4.098 -12.997
85 HD2 LYS 8 HD2 LYS 8 11.254 2.071 -13.435
86 HD3 LYS 8 HD3 LYS 8 12.911 2.680 -13.485
87 HE2 LYS 8 HE2 LYS 8 12.487 0.971 -11.713
88 HE3 LYS 8 HE3 LYS 8 13.123 2.501 -11.114
89 HZ1 LYS 8 HZ1 LYS 8 10.276 2.499 -11.159
90 HZ2 LYS 8 HZ2 LYS 8 10.870 1.212 -10.235
91 HZ3 LYS 8 HZ3 LYS 8 11.328 2.798 -9.868
92 H SER 9 H SER 9 10.160 3.026 -15.279
93 HA SER 9 HA SER 9 12.179 1.195 -16.213
94 HB2 SER 9 HB2 SER 9 10.495 0.355 -14.691
95 HB3 SER 9 HB3 SER 9 9.202 0.865 -15.776
96 HG SER 9 HG SER 9 11.171 -1.106 -16.325
97 H PHE 10 H PHE 10 9.449 2.937 -17.576
98 HA PHE 10 HA PHE 10 9.557 1.606 -20.112
99 HB2 PHE 10 HB2 PHE 10 8.060 3.939 -18.990
100 HB3 PHE 10 HB3 PHE 10 8.127 3.732 -20.737
101 HD1 PHE 10 HD1 PHE 10 7.712 1.393 -17.857
102 HD2 PHE 10 HD2 PHE 10 6.175 2.854 -21.548
103 HE1 PHE 10 HE1 PHE 10 5.869 -0.232 -17.729
104 HE2 PHE 10 HE2 PHE 10 4.329 1.232 -21.425
105 HZ PHE 10 HZ PHE 10 4.174 -0.313 -19.513
106 H LEU 11 H LEU 11 10.845 4.587 -18.764
107 HA LEU 11 HA LEU 11 11.659 5.907 -21.046
108 HB2 LEU 11 HB2 LEU 11 12.008 6.239 -18.345
109 HB3 LEU 11 HB3 LEU 11 13.653 5.959 -18.911
110 HG LEU 11 HG LEU 11 11.782 8.155 -19.790
111 HD11 LEU 11 HD11 LEU 11 14.229 8.035 -18.066
112 HD12 LEU 11 HD12 LEU 11 13.771 9.519 -18.902
113 HD13 LEU 11 HD13 LEU 11 12.669 8.788 -17.735
114 HD21 LEU 11 HD21 LEU 11 14.266 8.724 -20.806
115 HD22 LEU 11 HD22 LEU 11 14.124 6.987 -21.077
116 HD23 LEU 11 HD23 LEU 11 12.902 8.083 -21.722
Start of MODEL 18
1 H1 LYS 1 H LYS 1 4.562 -0.514 -4.929
2 HA LYS 1 HA LYS 1 3.564 -0.675 -2.297
3 HB2 LYS 1 HB2 LYS 1 6.578 -0.537 -2.502
4 HB3 LYS 1 HB3 LYS 1 5.635 -0.391 -1.025
5 HG2 LYS 1 HG2 LYS 1 4.751 -2.773 -1.909
6 HG3 LYS 1 HG3 LYS 1 6.390 -2.782 -2.565
7 HD2 LYS 1 HD2 LYS 1 7.008 -1.977 -0.134
8 HD3 LYS 1 HD3 LYS 1 5.472 -2.746 0.271
9 HE2 LYS 1 HE2 LYS 1 7.405 -4.244 -1.423
10 HE3 LYS 1 HE3 LYS 1 7.750 -4.088 0.298
11 HZ1 LYS 1 HZ1 LYS 1 5.064 -4.798 0.018
12 HZ2 LYS 1 HZ2 LYS 1 5.964 -5.840 -0.965
13 HZ3 LYS 1 HZ3 LYS 1 6.321 -5.714 0.684
14 H PHE 2 H PHE 2 2.726 1.280 -2.061
15 HA PHE 2 HA PHE 2 2.430 3.534 -2.110
16 HB2 PHE 2 HB2 PHE 2 5.311 3.161 -1.706
17 HB3 PHE 2 HB3 PHE 2 4.895 4.715 -2.423
18 HD1 PHE 2 HD1 PHE 2 4.262 6.465 -1.060
19 HD2 PHE 2 HD2 PHE 2 3.962 2.479 0.402
20 HE1 PHE 2 HE1 PHE 2 3.655 7.329 1.163
21 HE2 PHE 2 HE2 PHE 2 3.354 3.337 2.627
22 HZ PHE 2 HZ PHE 2 3.199 5.765 3.009
23 H LYS 3 H LYS 3 3.025 5.581 -3.465
24 HA LYS 3 HA LYS 3 2.586 4.865 -6.219
25 HB2 LYS 3 HB2 LYS 3 2.858 7.559 -4.875
26 HB3 LYS 3 HB3 LYS 3 2.421 7.326 -6.562
27 HG2 LYS 3 HG2 LYS 3 0.326 6.542 -6.056
28 HG3 LYS 3 HG3 LYS 3 0.805 5.982 -4.452
29 HD2 LYS 3 HD2 LYS 3 1.170 8.813 -4.607
30 HD3 LYS 3 HD3 LYS 3 -0.461 8.409 -5.147
31 HE2 LYS 3 HE2 LYS 3 0.595 7.127 -2.673
32 HE3 LYS 3 HE3 LYS 3 0.077 8.811 -2.601
33 HZ1 LYS 3 HZ1 LYS 3 -2.093 8.253 -3.083
34 HZ2 LYS 3 HZ2 LYS 3 -1.685 6.774 -3.794
35 HZ3 LYS 3 HZ3 LYS 3 -1.617 6.951 -2.113
36 H LYS 4 H LYS 4 4.800 3.771 -6.199
37 HA LYS 4 HA LYS 4 7.183 5.241 -6.199
38 HB2 LYS 4 HB2 LYS 4 6.404 2.654 -7.535
39 HB3 LYS 4 HB3 LYS 4 8.031 3.312 -7.647
40 HG2 LYS 4 HG2 LYS 4 6.757 2.910 -4.975
41 HG3 LYS 4 HG3 LYS 4 7.485 1.551 -5.834
42 HD2 LYS 4 HD2 LYS 4 8.977 4.120 -5.390
43 HD3 LYS 4 HD3 LYS 4 8.952 2.841 -4.174
44 HE2 LYS 4 HE2 LYS 4 9.896 2.564 -7.027
45 HE3 LYS 4 HE3 LYS 4 10.928 2.674 -5.601
46 HZ1 LYS 4 HZ1 LYS 4 9.590 0.405 -6.688
47 HZ2 LYS 4 HZ2 LYS 4 10.814 0.473 -5.522
48 HZ3 LYS 4 HZ3 LYS 4 9.194 0.625 -5.058
49 H VAL 5 H VAL 5 8.601 5.209 -8.329
50 HA VAL 5 HA VAL 5 7.300 7.044 -10.132
51 HB VAL 5 HB VAL 5 10.094 5.906 -10.292
52 HG11 VAL 5 HG11 VAL 5 9.950 6.866 -12.326
53 HG12 VAL 5 HG12 VAL 5 8.575 7.872 -11.871
54 HG13 VAL 5 HG13 VAL 5 10.210 8.357 -11.421
55 HG21 VAL 5 HG21 VAL 5 10.525 8.357 -9.389
56 HG22 VAL 5 HG22 VAL 5 8.920 8.121 -8.697
57 HG23 VAL 5 HG23 VAL 5 10.226 7.006 -8.295
58 H ILE 6 H ILE 6 6.799 6.733 -12.265
59 HA ILE 6 HA ILE 6 6.617 3.948 -13.129
60 HB ILE 6 HB ILE 6 5.367 6.438 -14.295
61 HG12 ILE 6 HG12 ILE 6 4.172 4.172 -12.683
62 HG13 ILE 6 HG13 ILE 6 4.453 5.810 -12.102
63 HG21 ILE 6 HG21 ILE 6 5.031 3.537 -15.038
64 HG22 ILE 6 HG22 ILE 6 4.014 4.851 -15.628
65 HG23 ILE 6 HG23 ILE 6 5.729 4.813 -16.035
66 HD11 ILE 6 HD11 ILE 6 2.868 6.644 -13.789
67 HD12 ILE 6 HD12 ILE 6 2.546 4.979 -14.274
68 HD13 ILE 6 HD13 ILE 6 2.131 5.520 -12.648
69 H TRP 7 H TRP 7 8.371 6.834 -13.775
70 HA TRP 7 HA TRP 7 9.086 6.551 -16.435
71 HB2 TRP 7 HB2 TRP 7 9.714 8.530 -15.228
72 HB3 TRP 7 HB3 TRP 7 10.686 7.596 -14.094
73 HD1 TRP 7 HD1 TRP 7 13.125 8.236 -14.532
74 HE1 TRP 7 HE1 TRP 7 14.627 8.456 -16.610
75 HE3 TRP 7 HE3 TRP 7 9.618 7.410 -18.160
76 HZ2 TRP 7 HZ2 TRP 7 14.361 8.301 -19.416
77 HZ3 TRP 7 HZ3 TRP 7 10.325 7.464 -20.517
78 HH2 TRP 7 HH2 TRP 7 12.647 7.900 -21.130
79 H LYS 8 H LYS 8 10.316 4.885 -13.599
80 HA LYS 8 HA LYS 8 12.560 3.680 -14.821
81 HB2 LYS 8 HB2 LYS 8 12.430 2.071 -12.912
82 HB3 LYS 8 HB3 LYS 8 12.429 3.761 -12.426
83 HG2 LYS 8 HG2 LYS 8 10.793 2.872 -11.079
84 HG3 LYS 8 HG3 LYS 8 9.848 3.494 -12.434
85 HD2 LYS 8 HD2 LYS 8 9.136 1.451 -12.994
86 HD3 LYS 8 HD3 LYS 8 10.761 0.772 -12.879
87 HE2 LYS 8 HE2 LYS 8 9.101 -0.221 -11.295
88 HE3 LYS 8 HE3 LYS 8 10.540 0.449 -10.526
89 HZ1 LYS 8 HZ1 LYS 8 9.312 2.395 -9.908
90 HZ2 LYS 8 HZ2 LYS 8 7.944 1.872 -10.755
91 HZ3 LYS 8 HZ3 LYS 8 8.458 1.034 -9.378
92 H SER 9 H SER 9 9.172 2.918 -14.820
93 HA SER 9 HA SER 9 9.506 0.216 -15.748
94 HB2 SER 9 HB2 SER 9 7.330 1.876 -14.842
95 HB3 SER 9 HB3 SER 9 6.896 1.092 -16.361
96 HG SER 9 HG SER 9 7.681 -0.101 -13.922
97 H PHE 10 H PHE 10 8.889 3.361 -17.189
98 HA PHE 10 HA PHE 10 8.407 2.308 -19.818
99 HB2 PHE 10 HB2 PHE 10 8.694 5.044 -18.638
100 HB3 PHE 10 HB3 PHE 10 8.817 4.847 -20.383
101 HD1 PHE 10 HD1 PHE 10 6.619 3.361 -17.756
102 HD2 PHE 10 HD2 PHE 10 6.887 5.501 -21.426
103 HE1 PHE 10 HE1 PHE 10 4.164 3.373 -17.925
104 HE2 PHE 10 HE2 PHE 10 4.433 5.518 -21.600
105 HZ PHE 10 HZ PHE 10 3.068 4.454 -19.847
106 H LEU 11 H LEU 11 11.144 3.658 -18.075
107 HA LEU 11 HA LEU 11 12.918 4.117 -20.143
108 HB2 LEU 11 HB2 LEU 11 13.035 4.151 -17.406
109 HB3 LEU 11 HB3 LEU 11 14.139 2.839 -17.814
110 HG LEU 11 HG LEU 11 14.333 5.718 -18.688
111 HD11 LEU 11 HD11 LEU 11 16.496 4.278 -17.266
112 HD12 LEU 11 HD12 LEU 11 16.005 5.970 -17.175
113 HD13 LEU 11 HD13 LEU 11 15.072 4.734 -16.330
114 HD21 LEU 11 HD21 LEU 11 16.607 4.772 -19.565
115 HD22 LEU 11 HD22 LEU 11 15.717 3.252 -19.640
116 HD23 LEU 11 HD23 LEU 11 15.151 4.650 -20.553
Start of MODEL 19
1 H1 LYS 1 H LYS 1 3.760 3.476 0.659
2 HA LYS 1 HA LYS 1 1.555 2.826 -0.748
3 HB2 LYS 1 HB2 LYS 1 2.691 5.478 0.033
4 HB3 LYS 1 HB3 LYS 1 1.253 5.438 -0.978
5 HG2 LYS 1 HG2 LYS 1 0.195 3.967 0.758
6 HG3 LYS 1 HG3 LYS 1 1.589 4.307 1.787
7 HD2 LYS 1 HD2 LYS 1 0.947 6.811 1.139
8 HD3 LYS 1 HD3 LYS 1 -0.647 6.074 0.960
9 HE2 LYS 1 HE2 LYS 1 0.973 5.524 3.408
10 HE3 LYS 1 HE3 LYS 1 0.108 7.053 3.263
11 HZ1 LYS 1 HZ1 LYS 1 -1.213 4.427 2.893
12 HZ2 LYS 1 HZ2 LYS 1 -1.121 5.200 4.396
13 HZ3 LYS 1 HZ3 LYS 1 -1.945 5.937 3.114
14 H PHE 2 H PHE 2 0.595 3.539 -2.744
15 HA PHE 2 HA PHE 2 0.568 3.750 -5.008
16 HB2 PHE 2 HB2 PHE 2 2.644 5.674 -4.120
17 HB3 PHE 2 HB3 PHE 2 2.626 5.275 -5.835
18 HD1 PHE 2 HD1 PHE 2 1.260 6.475 -7.244
19 HD2 PHE 2 HD2 PHE 2 0.321 6.309 -3.095
20 HE1 PHE 2 HE1 PHE 2 -0.574 8.077 -7.598
21 HE2 PHE 2 HE2 PHE 2 -1.514 7.910 -3.443
22 HZ PHE 2 HZ PHE 2 -1.965 8.795 -5.696
23 H LYS 3 H LYS 3 2.107 3.565 -7.047
24 HA LYS 3 HA LYS 3 4.225 1.606 -6.559
25 HB2 LYS 3 HB2 LYS 3 3.311 0.188 -8.421
26 HB3 LYS 3 HB3 LYS 3 2.343 0.190 -6.952
27 HG2 LYS 3 HG2 LYS 3 1.590 2.213 -8.944
28 HG3 LYS 3 HG3 LYS 3 1.349 0.536 -9.438
29 HD2 LYS 3 HD2 LYS 3 -0.314 0.202 -7.946
30 HD3 LYS 3 HD3 LYS 3 0.454 1.200 -6.710
31 HE2 LYS 3 HE2 LYS 3 -1.428 2.435 -7.259
32 HE3 LYS 3 HE3 LYS 3 -0.180 3.175 -8.259
33 HZ1 LYS 3 HZ1 LYS 3 -2.437 2.560 -9.307
34 HZ2 LYS 3 HZ2 LYS 3 -1.018 2.221 -10.165
35 HZ3 LYS 3 HZ3 LYS 3 -1.823 0.984 -9.339
36 H LYS 4 H LYS 4 5.231 3.803 -7.119
37 HA LYS 4 HA LYS 4 5.518 4.003 -10.046
38 HB2 LYS 4 HB2 LYS 4 6.177 6.384 -9.641
39 HB3 LYS 4 HB3 LYS 4 4.504 6.020 -9.241
40 HG2 LYS 4 HG2 LYS 4 5.122 5.862 -6.870
41 HG3 LYS 4 HG3 LYS 4 6.784 6.283 -7.290
42 HD2 LYS 4 HD2 LYS 4 4.708 8.118 -8.297
43 HD3 LYS 4 HD3 LYS 4 4.909 8.081 -6.544
44 HE2 LYS 4 HE2 LYS 4 7.220 8.403 -8.443
45 HE3 LYS 4 HE3 LYS 4 6.308 9.774 -7.816
46 HZ1 LYS 4 HZ1 LYS 4 7.579 9.710 -6.023
47 HZ2 LYS 4 HZ2 LYS 4 6.974 8.176 -5.644
48 HZ3 LYS 4 HZ3 LYS 4 8.379 8.325 -6.575
49 H VAL 5 H VAL 5 7.072 2.146 -9.211
50 HA VAL 5 HA VAL 5 9.594 3.134 -8.187
51 HB VAL 5 HB VAL 5 8.989 0.369 -9.234
52 HG11 VAL 5 HG11 VAL 5 11.326 1.650 -8.124
53 HG12 VAL 5 HG12 VAL 5 10.831 0.265 -7.150
54 HG13 VAL 5 HG13 VAL 5 11.162 0.060 -8.870
55 HG21 VAL 5 HG21 VAL 5 7.384 0.848 -7.511
56 HG22 VAL 5 HG22 VAL 5 8.615 -0.227 -6.848
57 HG23 VAL 5 HG23 VAL 5 8.643 1.493 -6.457
58 H ILE 6 H ILE 6 11.041 4.064 -9.461
59 HA ILE 6 HA ILE 6 12.400 4.509 -11.233
60 HB ILE 6 HB ILE 6 11.483 1.906 -12.446
61 HG12 ILE 6 HG12 ILE 6 13.667 2.398 -10.411
62 HG13 ILE 6 HG13 ILE 6 12.196 1.464 -10.160
63 HG21 ILE 6 HG21 ILE 6 13.387 1.988 -13.759
64 HG22 ILE 6 HG22 ILE 6 12.891 3.680 -13.706
65 HG23 ILE 6 HG23 ILE 6 14.208 3.114 -12.678
66 HD11 ILE 6 HD11 ILE 6 12.947 -0.172 -11.794
67 HD12 ILE 6 HD12 ILE 6 14.412 0.770 -12.073
68 HD13 ILE 6 HD13 ILE 6 14.127 0.027 -10.498
69 H TRP 7 H TRP 7 11.947 6.013 -12.688
70 HA TRP 7 HA TRP 7 9.338 6.128 -13.914
71 HB2 TRP 7 HB2 TRP 7 10.232 8.210 -13.164
72 HB3 TRP 7 HB3 TRP 7 11.748 7.942 -14.019
73 HD1 TRP 7 HD1 TRP 7 11.835 9.738 -15.846
74 HE1 TRP 7 HE1 TRP 7 10.236 10.572 -17.682
75 HE3 TRP 7 HE3 TRP 7 7.692 7.007 -14.616
76 HZ2 TRP 7 HZ2 TRP 7 7.571 10.132 -18.501
77 HZ3 TRP 7 HZ3 TRP 7 5.659 7.272 -15.976
78 HH2 TRP 7 HH2 TRP 7 5.601 8.803 -17.877
79 H LYS 8 H LYS 8 12.691 5.984 -15.110
80 HA LYS 8 HA LYS 8 12.169 5.838 -17.823
81 HB2 LYS 8 HB2 LYS 8 14.363 4.992 -18.094
82 HB3 LYS 8 HB3 LYS 8 14.423 6.023 -16.670
83 HG2 LYS 8 HG2 LYS 8 13.919 3.704 -15.464
84 HG3 LYS 8 HG3 LYS 8 14.727 3.090 -16.909
85 HD2 LYS 8 HD2 LYS 8 15.895 5.299 -15.235
86 HD3 LYS 8 HD3 LYS 8 16.190 3.595 -14.881
87 HE2 LYS 8 HE2 LYS 8 17.914 3.776 -16.293
88 HE3 LYS 8 HE3 LYS 8 16.701 3.743 -17.571
89 HZ1 LYS 8 HZ1 LYS 8 18.459 5.818 -16.898
90 HZ2 LYS 8 HZ2 LYS 8 17.316 5.774 -18.145
91 HZ3 LYS 8 HZ3 LYS 8 16.882 6.363 -16.619
92 H SER 9 H SER 9 11.942 3.346 -15.375
93 HA SER 9 HA SER 9 11.782 1.118 -17.102
94 HB2 SER 9 HB2 SER 9 12.241 0.717 -14.791
95 HB3 SER 9 HB3 SER 9 10.783 1.571 -14.287
96 HG SER 9 HG SER 9 10.209 -0.522 -14.209
97 H PHE 10 H PHE 10 9.382 3.372 -15.874
98 HA PHE 10 HA PHE 10 7.178 1.887 -17.020
99 HB2 PHE 10 HB2 PHE 10 7.428 4.428 -15.446
100 HB3 PHE 10 HB3 PHE 10 5.933 4.069 -16.303
101 HD1 PHE 10 HD1 PHE 10 8.336 2.180 -14.156
102 HD2 PHE 10 HD2 PHE 10 4.286 3.189 -14.987
103 HE1 PHE 10 HE1 PHE 10 7.603 0.772 -12.276
104 HE2 PHE 10 HE2 PHE 10 3.546 1.784 -13.108
105 HZ PHE 10 HZ PHE 10 5.206 0.573 -11.749
106 H LEU 11 H LEU 11 9.074 4.755 -17.746
107 HA LEU 11 HA LEU 11 7.548 5.936 -19.717
108 HB2 LEU 11 HB2 LEU 11 10.045 6.323 -18.694
109 HB3 LEU 11 HB3 LEU 11 10.410 5.805 -20.338
110 HG LEU 11 HG LEU 11 8.598 8.115 -19.650
111 HD11 LEU 11 HD11 LEU 11 11.486 8.139 -20.514
112 HD12 LEU 11 HD12 LEU 11 10.452 9.553 -20.311
113 HD13 LEU 11 HD13 LEU 11 10.881 8.566 -18.913
114 HD21 LEU 11 HD21 LEU 11 9.872 8.050 -22.261
115 HD22 LEU 11 HD22 LEU 11 8.820 6.662 -21.984
116 HD23 LEU 11 HD23 LEU 11 8.179 8.297 -21.832
Start of MODEL 20
1 H1 LYS 1 H LYS 1 1.491 -2.284 -4.141
2 HA LYS 1 HA LYS 1 0.764 -0.188 -2.731
3 HB2 LYS 1 HB2 LYS 1 2.687 -1.398 -1.135
4 HB3 LYS 1 HB3 LYS 1 3.538 -0.038 -1.855
5 HG2 LYS 1 HG2 LYS 1 2.324 1.498 -0.728
6 HG3 LYS 1 HG3 LYS 1 0.855 0.520 -0.756
7 HD2 LYS 1 HD2 LYS 1 1.300 0.197 1.425
8 HD3 LYS 1 HD3 LYS 1 2.467 -0.988 0.831
9 HE2 LYS 1 HE2 LYS 1 4.237 0.288 1.393
10 HE3 LYS 1 HE3 LYS 1 3.437 1.786 0.922
11 HZ1 LYS 1 HZ1 LYS 1 3.953 1.242 3.421
12 HZ2 LYS 1 HZ2 LYS 1 2.543 2.067 2.980
13 HZ3 LYS 1 HZ3 LYS 1 2.482 0.411 3.323
14 H PHE 2 H PHE 2 1.684 1.885 -3.370
15 HA PHE 2 HA PHE 2 2.791 1.738 -6.030
16 HB2 PHE 2 HB2 PHE 2 1.488 3.790 -4.357
17 HB3 PHE 2 HB3 PHE 2 2.707 4.400 -5.471
18 HD1 PHE 2 HD1 PHE 2 1.917 5.139 -7.483
19 HD2 PHE 2 HD2 PHE 2 -0.085 1.920 -5.547
20 HE1 PHE 2 HE1 PHE 2 0.281 5.056 -9.319
21 HE2 PHE 2 HE2 PHE 2 -1.723 1.831 -7.380
22 HZ PHE 2 HZ PHE 2 -1.542 3.400 -9.270
23 H LYS 3 H LYS 3 4.729 2.682 -6.729
24 HA LYS 3 HA LYS 3 6.690 3.226 -4.597
25 HB2 LYS 3 HB2 LYS 3 8.396 2.277 -6.225
26 HB3 LYS 3 HB3 LYS 3 7.306 1.119 -5.476
27 HG2 LYS 3 HG2 LYS 3 6.403 2.220 -8.049
28 HG3 LYS 3 HG3 LYS 3 7.847 1.205 -8.112
29 HD2 LYS 3 HD2 LYS 3 6.723 -0.671 -7.400
30 HD3 LYS 3 HD3 LYS 3 5.489 0.262 -6.549
31 HE2 LYS 3 HE2 LYS 3 4.203 0.488 -8.395
32 HE3 LYS 3 HE3 LYS 3 5.590 0.625 -9.474
33 HZ1 LYS 3 HZ1 LYS 3 5.556 -1.551 -9.906
34 HZ2 LYS 3 HZ2 LYS 3 5.286 -1.983 -8.293
35 HZ3 LYS 3 HZ3 LYS 3 3.985 -1.534 -9.277
36 H LYS 4 H LYS 4 5.406 5.365 -5.429
37 HA LYS 4 HA LYS 4 5.584 7.415 -6.405
38 HB2 LYS 4 HB2 LYS 4 8.457 6.532 -6.269
39 HB3 LYS 4 HB3 LYS 4 8.012 8.108 -6.912
40 HG2 LYS 4 HG2 LYS 4 6.914 7.365 -4.265
41 HG3 LYS 4 HG3 LYS 4 8.639 7.728 -4.362
42 HD2 LYS 4 HD2 LYS 4 7.735 9.804 -5.747
43 HD3 LYS 4 HD3 LYS 4 6.290 9.501 -4.780
44 HE2 LYS 4 HE2 LYS 4 7.685 11.107 -3.648
45 HE3 LYS 4 HE3 LYS 4 7.683 9.596 -2.740
46 HZ1 LYS 4 HZ1 LYS 4 9.888 10.976 -3.532
47 HZ2 LYS 4 HZ2 LYS 4 9.864 9.364 -3.016
48 HZ3 LYS 4 HZ3 LYS 4 9.797 9.725 -4.668
49 H VAL 5 H VAL 5 6.866 8.556 -8.412
50 HA VAL 5 HA VAL 5 6.126 6.903 -10.719
51 HB VAL 5 HB VAL 5 6.595 9.884 -10.562
52 HG11 VAL 5 HG11 VAL 5 5.589 8.152 -12.817
53 HG12 VAL 5 HG12 VAL 5 5.573 9.915 -12.812
54 HG13 VAL 5 HG13 VAL 5 7.108 9.047 -12.770
55 HG21 VAL 5 HG21 VAL 5 4.035 9.769 -11.107
56 HG22 VAL 5 HG22 VAL 5 4.157 8.179 -10.353
57 HG23 VAL 5 HG23 VAL 5 4.603 9.622 -9.443
58 H ILE 6 H ILE 6 7.620 6.102 -12.040
59 HA ILE 6 HA ILE 6 10.194 7.443 -12.327
60 HB ILE 6 HB ILE 6 10.512 4.544 -12.085
61 HG12 ILE 6 HG12 ILE 6 9.724 6.192 -9.676
62 HG13 ILE 6 HG13 ILE 6 8.892 4.775 -10.307
63 HG21 ILE 6 HG21 ILE 6 12.195 6.583 -12.223
64 HG22 ILE 6 HG22 ILE 6 12.027 6.519 -10.468
65 HG23 ILE 6 HG23 ILE 6 12.596 5.103 -11.351
66 HD11 ILE 6 HD11 ILE 6 10.839 3.401 -9.736
67 HD12 ILE 6 HD12 ILE 6 11.632 4.827 -9.065
68 HD13 ILE 6 HD13 ILE 6 10.153 4.211 -8.328
69 H TRP 7 H TRP 7 10.060 7.843 -14.457
70 HA TRP 7 HA TRP 7 8.757 6.314 -16.381
71 HB2 TRP 7 HB2 TRP 7 9.374 8.574 -16.887
72 HB3 TRP 7 HB3 TRP 7 11.082 8.226 -16.632
73 HD1 TRP 7 HD1 TRP 7 12.198 8.442 -18.927
74 HE1 TRP 7 HE1 TRP 7 11.730 7.546 -21.294
75 HE3 TRP 7 HE3 TRP 7 7.696 6.179 -18.062
76 HZ2 TRP 7 HZ2 TRP 7 9.718 6.074 -22.619
77 HZ3 TRP 7 HZ3 TRP 7 6.566 5.049 -19.932
78 HH2 TRP 7 HH2 TRP 7 7.557 4.999 -22.163
79 H LYS 8 H LYS 8 12.023 6.072 -15.118
80 HA LYS 8 HA LYS 8 13.194 4.422 -17.012
81 HB2 LYS 8 HB2 LYS 8 13.589 4.312 -14.016
82 HB3 LYS 8 HB3 LYS 8 14.696 3.680 -15.227
83 HG2 LYS 8 HG2 LYS 8 15.740 5.634 -15.101
84 HG3 LYS 8 HG3 LYS 8 14.365 6.313 -15.977
85 HD2 LYS 8 HD2 LYS 8 13.306 6.984 -13.953
86 HD3 LYS 8 HD3 LYS 8 14.457 6.071 -12.975
87 HE2 LYS 8 HE2 LYS 8 15.965 7.724 -13.018
88 HE3 LYS 8 HE3 LYS 8 15.731 8.009 -14.742
89 HZ1 LYS 8 HZ1 LYS 8 15.087 9.841 -13.078
90 HZ2 LYS 8 HZ2 LYS 8 14.028 9.497 -14.352
91 HZ3 LYS 8 HZ3 LYS 8 13.704 8.906 -12.800
92 H SER 9 H SER 9 11.134 3.566 -14.266
93 HA SER 9 HA SER 9 11.328 0.743 -14.765
94 HB2 SER 9 HB2 SER 9 9.497 2.358 -12.978
95 HB3 SER 9 HB3 SER 9 9.510 0.595 -13.040
96 HG SER 9 HG SER 9 11.095 2.201 -11.642
97 H PHE 10 H PHE 10 9.082 3.321 -15.555
98 HA PHE 10 HA PHE 10 6.893 1.828 -16.397
99 HB2 PHE 10 HB2 PHE 10 7.937 4.544 -16.948
100 HB3 PHE 10 HB3 PHE 10 6.786 3.906 -18.117
101 HD1 PHE 10 HD1 PHE 10 7.126 3.924 -14.397
102 HD2 PHE 10 HD2 PHE 10 4.633 4.591 -17.782
103 HE1 PHE 10 HE1 PHE 10 5.272 4.547 -12.904
104 HE2 PHE 10 HE2 PHE 10 2.776 5.217 -16.295
105 HZ PHE 10 HZ PHE 10 3.093 5.196 -13.853
106 H LEU 11 H LEU 11 9.959 2.385 -17.935
107 HA LEU 11 HA LEU 11 9.443 1.899 -20.587
108 HB2 LEU 11 HB2 LEU 11 11.726 1.656 -18.810
109 HB3 LEU 11 HB3 LEU 11 11.771 0.476 -20.118
110 HG LEU 11 HG LEU 11 13.003 2.648 -20.514
111 HD11 LEU 11 HD11 LEU 11 12.229 1.032 -22.278
112 HD12 LEU 11 HD12 LEU 11 10.829 2.078 -22.514
113 HD13 LEU 11 HD13 LEU 11 12.452 2.696 -22.817
114 HD21 LEU 11 HD21 LEU 11 11.760 4.601 -21.094
115 HD22 LEU 11 HD22 LEU 11 10.227 3.745 -20.927
116 HD23 LEU 11 HD23 LEU 11 11.214 4.073 -19.502