Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
589681 | 2n0x RC | 25539 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 1.947 0.956 -1.721
3 HB2 LEU 1 HB2 LEU 1 3.717 -1.177 -0.539
4 HB3 LEU 1 HB3 LEU 1 4.117 -0.109 -1.883
5 HG LEU 1 HG LEU 1 3.486 1.036 0.809
6 HD11 LEU 1 1HD1 LEU 1 6.275 0.281 0.017
7 HD12 LEU 1 2HD1 LEU 1 5.250 -0.824 0.932
8 HD13 LEU 1 3HD1 LEU 1 5.658 0.757 1.600
9 HD21 LEU 1 3HD2 LEU 1 5.607 2.312 -0.559
10 HD22 LEU 1 1HD2 LEU 1 3.979 2.918 -0.254
11 HD23 LEU 1 2HD2 LEU 1 4.321 2.017 -1.731
12 H VAL 2 H VAL 2 1.626 0.169 -3.726
13 HA VAL 2 HA VAL 2 0.747 -2.637 -3.945
14 HB VAL 2 HB VAL 2 -0.463 -1.842 -6.028
15 HG11 VAL 2 1HG1 VAL 2 -1.907 -2.328 -4.313
16 HG12 VAL 2 2HG1 VAL 2 -1.195 -1.133 -3.227
17 HG13 VAL 2 3HG1 VAL 2 -2.247 -0.614 -4.544
18 HG21 VAL 2 3HG2 VAL 2 -0.583 0.339 -6.605
19 HG22 VAL 2 1HG2 VAL 2 -0.560 0.893 -4.931
20 HG23 VAL 2 2HG2 VAL 2 0.945 0.437 -5.729
21 H ARG 3 H ARG 3 2.849 -0.166 -5.184
22 HA ARG 3 HA ARG 3 3.694 -1.810 -7.435
23 HB2 ARG 3 HB2 ARG 3 3.416 0.823 -7.316
24 HB3 ARG 3 HB3 ARG 3 5.064 0.739 -6.707
25 HG2 ARG 3 HG2 ARG 3 5.159 1.111 -9.056
26 HG3 ARG 3 HG3 ARG 3 5.683 -0.545 -8.747
27 HD2 ARG 3 HD2 ARG 3 3.716 -1.456 -9.589
28 HD3 ARG 3 HD3 ARG 3 2.824 0.053 -9.399
29 HE ARG 3 HE ARG 3 4.916 0.405 -11.257
30 HH11 ARG 3 1HH1 ARG 3 1.816 -1.144 -10.919
31 HH12 ARG 3 2HH1 ARG 3 1.450 -1.072 -12.611
32 HH21 ARG 3 1HH2 ARG 3 4.445 0.506 -13.486
33 HH22 ARG 3 2HH2 ARG 3 2.946 -0.134 -14.070
34 H TYR 4 H TYR 4 4.719 -0.927 -4.240
35 HA TYR 4 HA TYR 4 7.308 -2.252 -4.671
36 HB2 TYR 4 HB2 TYR 4 6.528 -0.586 -2.279
37 HB3 TYR 4 HB3 TYR 4 8.144 -1.073 -2.776
38 HD1 TYR 4 HD2 TYR 4 8.103 -0.410 -5.648
39 HD2 TYR 4 HD1 TYR 4 6.571 1.743 -2.314
40 HE1 TYR 4 HE2 TYR 4 8.355 1.693 -6.898
41 HE2 TYR 4 HE1 TYR 4 6.818 3.852 -3.554
42 HH TYR 4 HH TYR 4 8.519 4.028 -6.559
43 H THR 5 H THR 5 7.976 -2.996 -2.154
44 HA THR 5 HA THR 5 6.386 -5.358 -1.793
45 HB THR 5 HB THR 5 8.866 -5.337 -1.514
46 HG1 THR 5 HG1 THR 5 7.288 -6.841 -0.405
47 HG21 THR 5 3HG2 THR 5 9.862 -4.446 0.483
48 HG22 THR 5 1HG2 THR 5 8.287 -3.964 1.111
49 HG23 THR 5 2HG2 THR 5 8.958 -3.153 -0.304
50 H LYS 6 H LYS 6 5.528 -6.033 0.307
51 HA LYS 6 HA LYS 6 3.652 -4.276 1.340
52 HB2 LYS 6 HB2 LYS 6 4.880 -6.776 2.492
53 HB3 LYS 6 HB3 LYS 6 3.592 -5.902 3.312
54 HG2 LYS 6 HG2 LYS 6 3.204 -6.702 0.471
55 HG3 LYS 6 HG3 LYS 6 3.061 -7.923 1.738
56 HD2 LYS 6 HD2 LYS 6 0.890 -7.182 1.608
57 HD3 LYS 6 HD3 LYS 6 1.524 -6.120 2.867
58 HE2 LYS 6 HE2 LYS 6 1.595 -4.286 1.465
59 HE3 LYS 6 HE3 LYS 6 1.679 -5.273 0.007
60 HZ1 LYS 6 HZ1 LYS 6 -0.731 -5.901 1.153
61 HZ2 LYS 6 HZ2 LYS 6 -0.487 -4.915 -0.198
62 HZ3 LYS 6 HZ3 LYS 6 -0.606 -4.225 1.342
63 H LYS 7 H LYS 7 6.973 -4.812 2.291
64 HA LYS 7 HA LYS 7 6.699 -3.140 4.657
65 HB2 LYS 7 HB2 LYS 7 8.360 -5.261 3.993
66 HB3 LYS 7 HB3 LYS 7 9.419 -3.860 3.891
67 HG2 LYS 7 HG2 LYS 7 9.699 -4.154 6.083
68 HG3 LYS 7 HG3 LYS 7 8.110 -3.400 6.239
69 HD2 LYS 7 HD2 LYS 7 8.466 -6.366 5.875
70 HD3 LYS 7 HD3 LYS 7 8.458 -5.600 7.465
71 HE2 LYS 7 HE2 LYS 7 6.229 -4.641 6.925
72 HE3 LYS 7 HE3 LYS 7 6.242 -5.557 5.419
73 HZ1 LYS 7 HZ1 LYS 7 6.742 -7.079 7.843
74 HZ2 LYS 7 HZ2 LYS 7 5.822 -7.481 6.482
75 HZ3 LYS 7 HZ3 LYS 7 5.174 -6.466 7.670
76 H VAL 8 H VAL 8 8.924 -1.702 4.834
77 HA VAL 8 HA VAL 8 8.456 0.572 3.317
78 HB VAL 8 HB VAL 8 11.073 -0.242 4.589
79 HG11 VAL 8 1HG1 VAL 8 11.600 2.115 4.625
80 HG12 VAL 8 2HG1 VAL 8 11.254 1.615 2.968
81 HG13 VAL 8 3HG1 VAL 8 10.044 2.506 3.892
82 HG21 VAL 8 3HG2 VAL 8 9.235 -0.298 6.186
83 HG22 VAL 8 1HG2 VAL 8 10.303 1.066 6.515
84 HG23 VAL 8 2HG2 VAL 8 8.755 1.331 5.712
85 HA PRO 9 HA PRO 9 10.153 -0.459 -0.635
86 HB2 PRO 9 HB2 PRO 9 10.195 2.054 -1.662
87 HB3 PRO 9 HB3 PRO 9 8.709 1.115 -1.483
88 HG2 PRO 9 HG2 PRO 9 9.812 3.268 0.280
89 HG3 PRO 9 HG3 PRO 9 8.142 3.007 -0.256
90 HD2 PRO 9 HD2 PRO 9 9.015 2.274 2.200
91 HD3 PRO 9 HD3 PRO 9 7.756 1.377 1.327
92 H GLN 10 H GLN 10 12.230 -1.051 0.351
93 HA GLN 10 HA GLN 10 14.251 1.071 0.298
94 HB2 GLN 10 HB2 GLN 10 13.824 -0.963 2.100
95 HB3 GLN 10 HB3 GLN 10 15.125 -1.606 1.107
96 HG2 GLN 10 HG2 GLN 10 16.382 -0.522 2.634
97 HG3 GLN 10 HG3 GLN 10 16.115 0.823 1.526
98 HE21 GLN 10 1HE2 GLN 10 16.759 1.706 3.821
99 HE22 GLN 10 2HE2 GLN 10 15.417 2.219 4.781
100 H VAL 11 H VAL 11 16.527 -0.299 -0.236
101 HA VAL 11 HA VAL 11 16.671 -0.349 -2.997
102 HB VAL 11 HB VAL 11 18.782 -1.715 -2.669
103 HG11 VAL 11 1HG1 VAL 11 18.300 0.878 -1.231
104 HG12 VAL 11 2HG1 VAL 11 19.905 0.154 -1.347
105 HG13 VAL 11 3HG1 VAL 11 19.036 0.615 -2.812
106 HG21 VAL 11 3HG2 VAL 11 17.582 -2.327 -0.231
107 HG22 VAL 11 1HG2 VAL 11 19.228 -2.715 -0.731
108 HG23 VAL 11 2HG2 VAL 11 18.907 -1.238 0.177
109 H SER 12 H SER 12 15.763 -2.886 -0.779
110 HA SER 12 HA SER 12 15.697 -4.849 -2.953
111 HB2 SER 12 HB2 SER 12 16.764 -5.650 -0.942
112 HB3 SER 12 HB3 SER 12 15.386 -5.154 0.041
113 HG SER 12 HG SER 12 15.687 -7.359 -1.630
114 H THR 13 H THR 13 13.890 -4.661 -4.126
115 HA THR 13 HA THR 13 11.348 -5.146 -2.849
116 HB THR 13 HB THR 13 10.418 -3.104 -4.276
117 HG1 THR 13 HG1 THR 13 11.839 -1.432 -4.406
118 HG21 THR 13 3HG2 THR 13 11.490 -2.009 -1.819
119 HG22 THR 13 1HG2 THR 13 10.842 -3.630 -1.576
120 HG23 THR 13 2HG2 THR 13 9.819 -2.364 -2.255
121 HA PRO 14 HA PRO 14 10.418 -7.127 -6.653
122 HB2 PRO 14 HB2 PRO 14 7.743 -6.721 -6.875
123 HB3 PRO 14 HB3 PRO 14 8.452 -7.829 -5.694
124 HG2 PRO 14 HG2 PRO 14 7.483 -5.022 -5.315
125 HG3 PRO 14 HG3 PRO 14 7.247 -6.437 -4.273
126 HD2 PRO 14 HD2 PRO 14 9.110 -4.541 -3.755
127 HD3 PRO 14 HD3 PRO 14 9.342 -6.249 -3.330
128 H THR 15 H THR 15 10.554 -6.652 -8.767
129 HA THR 15 HA THR 15 9.945 -3.895 -9.593
130 HB THR 15 HB THR 15 11.407 -4.584 -11.624
131 HG1 THR 15 HG1 THR 15 12.972 -6.200 -11.001
132 HG21 THR 15 3HG2 THR 15 11.932 -3.137 -9.454
133 HG22 THR 15 1HG2 THR 15 13.174 -3.515 -10.648
134 HG23 THR 15 2HG2 THR 15 13.063 -4.458 -9.161
135 H LEU 16 H LEU 16 7.657 -4.683 -9.703
136 HA LEU 16 HA LEU 16 6.814 -6.595 -11.580
137 HB2 LEU 16 HB2 LEU 16 5.362 -5.804 -9.816
138 HB3 LEU 16 HB3 LEU 16 5.389 -4.174 -10.486
139 HG LEU 16 HG LEU 16 4.302 -5.234 -12.564
140 HD11 LEU 16 1HD1 LEU 16 3.071 -7.254 -10.843
141 HD12 LEU 16 2HD1 LEU 16 4.761 -7.568 -11.235
142 HD13 LEU 16 3HD1 LEU 16 3.582 -7.352 -12.528
143 HD21 LEU 16 3HD2 LEU 16 2.046 -5.326 -11.196
144 HD22 LEU 16 1HD2 LEU 16 2.900 -3.806 -11.463
145 HD23 LEU 16 2HD2 LEU 16 3.064 -4.650 -9.923
Start of MODEL 2
1 H1 LEU 1 H LEU 1 0.336 2.708 0.311
2 HA LEU 1 HA LEU 1 1.508 3.659 -1.936
3 HB2 LEU 1 HB2 LEU 1 2.105 1.439 -0.095
4 HB3 LEU 1 HB3 LEU 1 2.934 1.380 -1.649
5 HG LEU 1 HG LEU 1 3.027 3.837 0.071
6 HD11 LEU 1 1HD1 LEU 1 4.173 2.738 1.622
7 HD12 LEU 1 2HD1 LEU 1 5.427 2.470 0.412
8 HD13 LEU 1 3HD1 LEU 1 4.172 1.258 0.664
9 HD21 LEU 1 3HD2 LEU 1 3.907 3.286 -2.481
10 HD22 LEU 1 1HD2 LEU 1 5.353 3.069 -1.495
11 HD23 LEU 1 2HD2 LEU 1 4.474 4.598 -1.447
12 H VAL 2 H VAL 2 0.898 0.161 -1.717
13 HA VAL 2 HA VAL 2 0.435 -1.392 -3.322
14 HB VAL 2 HB VAL 2 -1.273 0.779 -4.539
15 HG11 VAL 2 1HG1 VAL 2 -0.789 -1.909 -5.258
16 HG12 VAL 2 2HG1 VAL 2 -2.422 -1.832 -4.594
17 HG13 VAL 2 3HG1 VAL 2 -1.967 -0.792 -5.945
18 HG21 VAL 2 3HG2 VAL 2 -2.179 0.829 -2.462
19 HG22 VAL 2 1HG2 VAL 2 -3.006 -0.615 -3.046
20 HG23 VAL 2 2HG2 VAL 2 -1.568 -0.770 -2.037
21 H ARG 3 H ARG 3 2.789 -0.817 -3.933
22 HA ARG 3 HA ARG 3 2.890 -0.668 -6.803
23 HB2 ARG 3 HB2 ARG 3 3.508 1.672 -5.180
24 HB3 ARG 3 HB3 ARG 3 4.861 1.187 -6.193
25 HG2 ARG 3 HG2 ARG 3 2.068 1.671 -7.205
26 HG3 ARG 3 HG3 ARG 3 3.369 2.863 -7.239
27 HD2 ARG 3 HD2 ARG 3 4.663 1.522 -8.722
28 HD3 ARG 3 HD3 ARG 3 3.577 0.148 -8.522
29 HE ARG 3 HE ARG 3 2.040 2.211 -9.527
30 HH11 ARG 3 1HH1 ARG 3 4.822 0.373 -10.530
31 HH12 ARG 3 2HH1 ARG 3 4.474 0.523 -12.221
32 HH21 ARG 3 1HH2 ARG 3 1.572 2.416 -11.750
33 HH22 ARG 3 2HH2 ARG 3 2.626 1.686 -12.914
34 H TYR 4 H TYR 4 4.923 -0.372 -3.890
35 HA TYR 4 HA TYR 4 6.929 -2.094 -5.135
36 HB2 TYR 4 HB2 TYR 4 7.114 -0.765 -2.433
37 HB3 TYR 4 HB3 TYR 4 8.429 -1.378 -3.430
38 HD1 TYR 4 HD2 TYR 4 8.294 -0.253 -5.949
39 HD2 TYR 4 HD1 TYR 4 7.028 1.527 -2.298
40 HE1 TYR 4 HE2 TYR 4 8.587 1.979 -6.942
41 HE2 TYR 4 HE1 TYR 4 7.315 3.763 -3.281
42 HH TYR 4 HH TYR 4 8.897 4.681 -5.334
43 H THR 5 H THR 5 8.073 -3.337 -3.019
44 HA THR 5 HA THR 5 6.553 -5.630 -2.672
45 HB THR 5 HB THR 5 9.019 -5.469 -2.304
46 HG1 THR 5 HG1 THR 5 7.936 -7.312 -1.565
47 HG21 THR 5 3HG2 THR 5 8.755 -4.816 0.530
48 HG22 THR 5 1HG2 THR 5 8.374 -3.464 -0.535
49 HG23 THR 5 2HG2 THR 5 9.942 -4.264 -0.652
50 H LYS 6 H LYS 6 6.063 -6.526 -0.367
51 HA LYS 6 HA LYS 6 4.049 -4.785 0.759
52 HB2 LYS 6 HB2 LYS 6 3.762 -7.275 0.338
53 HB3 LYS 6 HB3 LYS 6 4.818 -7.540 1.720
54 HG2 LYS 6 HG2 LYS 6 2.585 -7.740 2.485
55 HG3 LYS 6 HG3 LYS 6 3.208 -6.205 3.095
56 HD2 LYS 6 HD2 LYS 6 0.966 -5.876 2.275
57 HD3 LYS 6 HD3 LYS 6 2.099 -5.056 1.197
58 HE2 LYS 6 HE2 LYS 6 1.859 -6.681 -0.472
59 HE3 LYS 6 HE3 LYS 6 1.150 -7.849 0.642
60 HZ1 LYS 6 HZ1 LYS 6 -0.795 -6.360 0.817
61 HZ2 LYS 6 HZ2 LYS 6 -0.561 -6.961 -0.747
62 HZ3 LYS 6 HZ3 LYS 6 -0.123 -5.369 -0.379
63 H LYS 7 H LYS 7 6.228 -3.455 1.278
64 HA LYS 7 HA LYS 7 6.336 -3.293 4.091
65 HB2 LYS 7 HB2 LYS 7 7.932 -5.316 3.221
66 HB3 LYS 7 HB3 LYS 7 9.061 -3.968 3.178
67 HG2 LYS 7 HG2 LYS 7 9.319 -4.038 5.375
68 HG3 LYS 7 HG3 LYS 7 7.576 -3.935 5.634
69 HD2 LYS 7 HD2 LYS 7 8.797 -6.528 4.789
70 HD3 LYS 7 HD3 LYS 7 8.906 -6.019 6.475
71 HE2 LYS 7 HE2 LYS 7 6.284 -5.561 5.967
72 HE3 LYS 7 HE3 LYS 7 6.588 -6.944 4.916
73 HZ1 LYS 7 HZ1 LYS 7 5.945 -7.853 6.952
74 HZ2 LYS 7 HZ2 LYS 7 6.888 -6.776 7.853
75 HZ3 LYS 7 HZ3 LYS 7 7.630 -8.002 6.955
76 H VAL 8 H VAL 8 8.636 -1.991 4.587
77 HA VAL 8 HA VAL 8 8.237 0.567 3.636
78 HB VAL 8 HB VAL 8 10.868 -0.605 4.552
79 HG11 VAL 8 1HG1 VAL 8 11.499 1.662 5.099
80 HG12 VAL 8 2HG1 VAL 8 11.062 1.569 3.392
81 HG13 VAL 8 3HG1 VAL 8 9.932 2.262 4.556
82 HG21 VAL 8 3HG2 VAL 8 8.439 -0.251 5.951
83 HG22 VAL 8 1HG2 VAL 8 10.013 -0.714 6.598
84 HG23 VAL 8 2HG2 VAL 8 9.556 0.988 6.522
85 HA PRO 9 HA PRO 9 9.719 0.424 -0.529
86 HB2 PRO 9 HB2 PRO 9 9.828 3.103 -0.952
87 HB3 PRO 9 HB3 PRO 9 8.311 2.197 -0.918
88 HG2 PRO 9 HG2 PRO 9 9.581 3.847 1.233
89 HG3 PRO 9 HG3 PRO 9 7.880 3.772 0.738
90 HD2 PRO 9 HD2 PRO 9 8.823 2.462 2.912
91 HD3 PRO 9 HD3 PRO 9 7.489 1.834 1.923
92 H GLN 10 H GLN 10 11.788 -0.274 -0.667
93 HA GLN 10 HA GLN 10 13.895 1.727 -0.390
94 HB2 GLN 10 HB2 GLN 10 14.069 -1.007 0.888
95 HB3 GLN 10 HB3 GLN 10 15.345 0.202 0.857
96 HG2 GLN 10 HG2 GLN 10 13.866 1.717 2.150
97 HG3 GLN 10 HG3 GLN 10 12.701 0.400 2.276
98 HE21 GLN 10 1HE2 GLN 10 16.232 0.544 2.571
99 HE22 GLN 10 2HE2 GLN 10 16.301 -0.163 4.146
100 H VAL 11 H VAL 11 16.092 0.292 -0.943
101 HA VAL 11 HA VAL 11 15.931 -0.143 -3.709
102 HB VAL 11 HB VAL 11 18.207 -1.025 -3.562
103 HG11 VAL 11 1HG1 VAL 11 18.916 1.073 -3.396
104 HG12 VAL 11 2HG1 VAL 11 17.337 1.517 -2.744
105 HG13 VAL 11 3HG1 VAL 11 18.649 1.069 -1.653
106 HG21 VAL 11 3HG2 VAL 11 17.422 -1.456 -0.763
107 HG22 VAL 11 1HG2 VAL 11 18.583 -2.326 -1.766
108 HG23 VAL 11 2HG2 VAL 11 19.048 -0.810 -0.992
109 H SER 12 H SER 12 15.406 -2.258 -1.020
110 HA SER 12 HA SER 12 15.664 -4.682 -2.573
111 HB2 SER 12 HB2 SER 12 16.247 -5.095 -0.368
112 HB3 SER 12 HB3 SER 12 14.992 -4.034 0.272
113 HG SER 12 HG SER 12 14.739 -6.654 -0.753
114 H THR 13 H THR 13 14.141 -5.372 -3.905
115 HA THR 13 HA THR 13 11.395 -5.518 -3.138
116 HB THR 13 HB THR 13 10.859 -4.180 -5.426
117 HG1 THR 13 HG1 THR 13 13.193 -3.566 -5.422
118 HG21 THR 13 3HG2 THR 13 10.208 -3.908 -2.824
119 HG22 THR 13 1HG2 THR 13 9.725 -2.760 -4.072
120 HG23 THR 13 2HG2 THR 13 11.134 -2.426 -3.065
121 HA PRO 14 HA PRO 14 11.366 -8.761 -6.095
122 HB2 PRO 14 HB2 PRO 14 8.799 -8.711 -6.979
123 HB3 PRO 14 HB3 PRO 14 9.249 -9.275 -5.365
124 HG2 PRO 14 HG2 PRO 14 8.170 -6.613 -6.209
125 HG3 PRO 14 HG3 PRO 14 7.735 -7.602 -4.803
126 HD2 PRO 14 HD2 PRO 14 9.402 -5.475 -4.629
127 HD3 PRO 14 HD3 PRO 14 9.565 -6.904 -3.588
128 H THR 15 H THR 15 11.078 -9.303 -8.367
129 HA THR 15 HA THR 15 11.852 -7.128 -10.076
130 HB THR 15 HB THR 15 11.295 -10.024 -10.747
131 HG1 THR 15 HG1 THR 15 13.732 -8.615 -10.285
132 HG21 THR 15 3HG2 THR 15 12.608 -9.535 -12.798
133 HG22 THR 15 1HG2 THR 15 12.585 -7.826 -12.366
134 HG23 THR 15 2HG2 THR 15 11.076 -8.663 -12.731
135 H LEU 16 H LEU 16 10.069 -5.753 -10.199
136 HA LEU 16 HA LEU 16 7.629 -6.850 -11.407
137 HB2 LEU 16 HB2 LEU 16 8.196 -4.287 -9.940
138 HB3 LEU 16 HB3 LEU 16 6.696 -4.566 -10.824
139 HG LEU 16 HG LEU 16 7.577 -6.438 -8.652
140 HD11 LEU 16 1HD1 LEU 16 5.669 -4.258 -8.022
141 HD12 LEU 16 2HD1 LEU 16 7.388 -3.865 -8.043
142 HD13 LEU 16 3HD1 LEU 16 6.786 -5.130 -6.971
143 HD21 LEU 16 3HD2 LEU 16 5.321 -6.172 -10.406
144 HD22 LEU 16 1HD2 LEU 16 4.802 -6.044 -8.725
145 HD23 LEU 16 2HD2 LEU 16 5.704 -7.461 -9.264
Start of MODEL 3
1 H1 LEU 1 H LEU 1 1.755 3.789 -2.205
2 HA LEU 1 HA LEU 1 3.541 2.373 -2.075
3 HB2 LEU 1 HB2 LEU 1 2.480 2.760 0.407
4 HB3 LEU 1 HB3 LEU 1 2.531 1.001 0.310
5 HG LEU 1 HG LEU 1 4.516 1.871 1.409
6 HD11 LEU 1 1HD1 LEU 1 4.981 0.708 -1.329
7 HD12 LEU 1 2HD1 LEU 1 4.821 -0.160 0.197
8 HD13 LEU 1 3HD1 LEU 1 6.232 0.856 -0.095
9 HD21 LEU 1 3HD2 LEU 1 5.450 3.145 -1.118
10 HD22 LEU 1 1HD2 LEU 1 5.916 3.472 0.552
11 HD23 LEU 1 2HD2 LEU 1 4.362 4.043 -0.057
12 H VAL 2 H VAL 2 1.301 1.385 -3.608
13 HA VAL 2 HA VAL 2 1.208 -1.471 -3.042
14 HB VAL 2 HB VAL 2 -0.114 0.104 -5.256
15 HG11 VAL 2 1HG1 VAL 2 -1.580 -2.135 -5.018
16 HG12 VAL 2 2HG1 VAL 2 -0.239 -1.967 -6.153
17 HG13 VAL 2 3HG1 VAL 2 0.011 -2.771 -4.603
18 HG21 VAL 2 3HG2 VAL 2 -0.900 0.714 -3.002
19 HG22 VAL 2 1HG2 VAL 2 -2.148 -0.094 -3.952
20 HG23 VAL 2 2HG2 VAL 2 -1.285 -0.980 -2.694
21 H ARG 3 H ARG 3 2.729 0.774 -5.222
22 HA ARG 3 HA ARG 3 3.475 -1.041 -7.250
23 HB2 ARG 3 HB2 ARG 3 3.672 1.662 -6.909
24 HB3 ARG 3 HB3 ARG 3 5.347 1.164 -6.714
25 HG2 ARG 3 HG2 ARG 3 5.212 1.587 -8.974
26 HG3 ARG 3 HG3 ARG 3 4.955 -0.158 -8.904
27 HD2 ARG 3 HD2 ARG 3 2.600 0.103 -9.159
28 HD3 ARG 3 HD3 ARG 3 2.712 1.850 -8.948
29 HE ARG 3 HE ARG 3 4.262 1.038 -11.164
30 HH11 ARG 3 1HH1 ARG 3 0.956 1.461 -10.157
31 HH12 ARG 3 2HH1 ARG 3 0.371 1.769 -11.759
32 HH21 ARG 3 1HH2 ARG 3 3.504 1.444 -13.277
33 HH22 ARG 3 2HH2 ARG 3 1.821 1.759 -13.532
34 H TYR 4 H TYR 4 4.768 -0.359 -4.104
35 HA TYR 4 HA TYR 4 7.145 -1.988 -4.674
36 HB2 TYR 4 HB2 TYR 4 6.632 -0.367 -2.181
37 HB3 TYR 4 HB3 TYR 4 8.166 -1.015 -2.752
38 HD1 TYR 4 HD2 TYR 4 8.685 -0.175 -5.305
39 HD2 TYR 4 HD1 TYR 4 6.394 1.909 -2.389
40 HE1 TYR 4 HE2 TYR 4 9.155 1.945 -6.460
41 HE2 TYR 4 HE1 TYR 4 6.856 4.035 -3.536
42 HH TYR 4 HH TYR 4 9.116 4.230 -6.202
43 H THR 5 H THR 5 7.789 -2.938 -2.224
44 HA THR 5 HA THR 5 6.064 -5.175 -1.957
45 HB THR 5 HB THR 5 8.505 -5.261 -1.492
46 HG1 THR 5 HG1 THR 5 7.539 -6.970 -0.590
47 HG21 THR 5 3HG2 THR 5 8.105 -3.029 0.012
48 HG22 THR 5 1HG2 THR 5 9.521 -4.072 0.133
49 HG23 THR 5 2HG2 THR 5 8.179 -4.275 1.258
50 H LYS 6 H LYS 6 5.102 -5.875 0.124
51 HA LYS 6 HA LYS 6 3.188 -4.064 1.038
52 HB2 LYS 6 HB2 LYS 6 2.852 -6.454 1.226
53 HB3 LYS 6 HB3 LYS 6 4.223 -6.599 2.317
54 HG2 LYS 6 HG2 LYS 6 2.166 -6.719 3.563
55 HG3 LYS 6 HG3 LYS 6 3.025 -5.233 3.974
56 HD2 LYS 6 HD2 LYS 6 0.743 -4.643 3.715
57 HD3 LYS 6 HD3 LYS 6 1.574 -4.066 2.269
58 HE2 LYS 6 HE2 LYS 6 -0.536 -5.126 1.684
59 HE3 LYS 6 HE3 LYS 6 0.823 -6.055 1.052
60 HZ1 LYS 6 HZ1 LYS 6 -0.343 -6.753 3.663
61 HZ2 LYS 6 HZ2 LYS 6 0.492 -7.736 2.569
62 HZ3 LYS 6 HZ3 LYS 6 -1.101 -7.268 2.242
63 H LYS 7 H LYS 7 6.440 -4.635 2.089
64 HA LYS 7 HA LYS 7 6.049 -3.064 4.523
65 HB2 LYS 7 HB2 LYS 7 7.564 -5.268 4.082
66 HB3 LYS 7 HB3 LYS 7 8.758 -4.007 3.810
67 HG2 LYS 7 HG2 LYS 7 9.035 -3.802 5.992
68 HG3 LYS 7 HG3 LYS 7 7.339 -3.344 6.167
69 HD2 LYS 7 HD2 LYS 7 8.141 -6.224 5.936
70 HD3 LYS 7 HD3 LYS 7 8.221 -5.383 7.486
71 HE2 LYS 7 HE2 LYS 7 5.903 -4.996 7.515
72 HE3 LYS 7 HE3 LYS 7 5.735 -5.370 5.801
73 HZ1 LYS 7 HZ1 LYS 7 5.725 -7.585 6.189
74 HZ2 LYS 7 HZ2 LYS 7 5.117 -7.093 7.689
75 HZ3 LYS 7 HZ3 LYS 7 6.754 -7.488 7.529
76 H VAL 8 H VAL 8 8.247 -1.689 4.924
77 HA VAL 8 HA VAL 8 8.016 0.617 3.425
78 HB VAL 8 HB VAL 8 9.139 0.598 5.581
79 HG11 VAL 8 1HG1 VAL 8 10.523 -1.583 4.558
80 HG12 VAL 8 2HG1 VAL 8 11.742 -0.316 4.712
81 HG13 VAL 8 3HG1 VAL 8 10.788 -0.799 6.115
82 HG21 VAL 8 3HG2 VAL 8 10.873 1.545 3.303
83 HG22 VAL 8 1HG2 VAL 8 9.634 2.465 4.159
84 HG23 VAL 8 2HG2 VAL 8 11.116 1.995 4.991
85 HA PRO 9 HA PRO 9 9.949 -0.398 -0.422
86 HB2 PRO 9 HB2 PRO 9 10.166 2.133 -1.380
87 HB3 PRO 9 HB3 PRO 9 8.634 1.253 -1.330
88 HG2 PRO 9 HG2 PRO 9 9.694 3.319 0.560
89 HG3 PRO 9 HG3 PRO 9 8.057 3.140 -0.100
90 HD2 PRO 9 HD2 PRO 9 8.721 2.317 2.393
91 HD3 PRO 9 HD3 PRO 9 7.492 1.494 1.411
92 H GLN 10 H GLN 10 12.018 -0.934 -0.668
93 HA GLN 10 HA GLN 10 14.087 1.038 -0.011
94 HB2 GLN 10 HB2 GLN 10 15.487 -0.752 0.966
95 HB3 GLN 10 HB3 GLN 10 14.017 -0.465 1.886
96 HG2 GLN 10 HG2 GLN 10 13.070 -2.468 1.260
97 HG3 GLN 10 HG3 GLN 10 14.065 -2.605 -0.188
98 HE21 GLN 10 1HE2 GLN 10 13.522 -4.168 2.470
99 HE22 GLN 10 2HE2 GLN 10 15.105 -4.705 2.908
100 H VAL 11 H VAL 11 16.327 -0.210 -0.714
101 HA VAL 11 HA VAL 11 16.418 -0.079 -3.471
102 HB VAL 11 HB VAL 11 18.251 -1.743 -1.739
103 HG11 VAL 11 1HG1 VAL 11 18.275 -0.914 -4.566
104 HG12 VAL 11 2HG1 VAL 11 19.801 -0.730 -3.698
105 HG13 VAL 11 3HG1 VAL 11 19.019 -2.308 -3.783
106 HG21 VAL 11 3HG2 VAL 11 19.436 0.724 -2.362
107 HG22 VAL 11 1HG2 VAL 11 17.802 1.091 -1.808
108 HG23 VAL 11 2HG2 VAL 11 18.892 0.159 -0.782
109 H SER 12 H SER 12 15.617 -2.786 -1.415
110 HA SER 12 HA SER 12 15.439 -4.541 -3.766
111 HB2 SER 12 HB2 SER 12 16.802 -5.369 -1.869
112 HB3 SER 12 HB3 SER 12 15.380 -5.282 -0.829
113 HG SER 12 HG SER 12 15.061 -7.247 -1.505
114 H THR 13 H THR 13 13.481 -4.087 -4.651
115 HA THR 13 HA THR 13 11.141 -4.858 -3.087
116 HB THR 13 HB THR 13 9.996 -2.796 -4.336
117 HG1 THR 13 HG1 THR 13 11.976 -2.040 -5.227
118 HG21 THR 13 3HG2 THR 13 10.203 -1.523 -2.244
119 HG22 THR 13 1HG2 THR 13 11.514 -2.585 -1.732
120 HG23 THR 13 2HG2 THR 13 9.885 -3.230 -1.936
121 HA PRO 14 HA PRO 14 9.781 -6.752 -6.805
122 HB2 PRO 14 HB2 PRO 14 7.090 -6.419 -6.669
123 HB3 PRO 14 HB3 PRO 14 7.973 -7.540 -5.626
124 HG2 PRO 14 HG2 PRO 14 6.989 -4.775 -5.033
125 HG3 PRO 14 HG3 PRO 14 6.926 -6.227 -4.017
126 HD2 PRO 14 HD2 PRO 14 8.790 -4.293 -3.679
127 HD3 PRO 14 HD3 PRO 14 9.119 -6.005 -3.344
128 H THR 15 H THR 15 10.547 -5.561 -8.517
129 HA THR 15 HA THR 15 8.803 -3.391 -9.490
130 HB THR 15 HB THR 15 10.798 -2.485 -10.665
131 HG1 THR 15 HG1 THR 15 12.780 -3.367 -10.323
132 HG21 THR 15 3HG2 THR 15 10.052 -2.103 -8.086
133 HG22 THR 15 1HG2 THR 15 11.334 -1.197 -8.889
134 HG23 THR 15 2HG2 THR 15 11.736 -2.584 -7.875
135 H LEU 16 H LEU 16 8.192 -6.018 -10.106
136 HA LEU 16 HA LEU 16 9.333 -6.876 -12.563
137 HB2 LEU 16 HB2 LEU 16 6.990 -7.637 -10.906
138 HB3 LEU 16 HB3 LEU 16 7.001 -8.148 -12.593
139 HG LEU 16 HG LEU 16 9.307 -9.152 -12.065
140 HD11 LEU 16 1HD1 LEU 16 10.079 -9.219 -9.969
141 HD12 LEU 16 2HD1 LEU 16 8.485 -9.542 -9.289
142 HD13 LEU 16 3HD1 LEU 16 8.962 -7.888 -9.669
143 HD21 LEU 16 3HD2 LEU 16 7.743 -10.757 -12.485
144 HD22 LEU 16 1HD2 LEU 16 6.627 -10.151 -11.261
145 HD23 LEU 16 2HD2 LEU 16 8.041 -11.088 -10.778
Start of MODEL 4
1 H1 LEU 1 H LEU 1 0.171 1.471 -0.945
2 HA LEU 1 HA LEU 1 2.552 2.216 -2.513
3 HB2 LEU 1 HB2 LEU 1 2.509 2.322 0.093
4 HB3 LEU 1 HB3 LEU 1 2.691 0.573 -0.022
5 HG LEU 1 HG LEU 1 4.713 1.316 -1.611
6 HD11 LEU 1 1HD1 LEU 1 5.855 3.242 -0.547
7 HD12 LEU 1 2HD1 LEU 1 4.379 3.570 0.361
8 HD13 LEU 1 3HD1 LEU 1 4.375 3.683 -1.399
9 HD21 LEU 1 3HD2 LEU 1 5.133 1.433 1.349
10 HD22 LEU 1 1HD2 LEU 1 6.123 0.668 0.106
11 HD23 LEU 1 2HD2 LEU 1 4.590 -0.060 0.583
12 H VAL 2 H VAL 2 0.758 0.678 -3.811
13 HA VAL 2 HA VAL 2 1.296 -2.128 -3.446
14 HB VAL 2 HB VAL 2 -0.105 -0.714 -5.720
15 HG11 VAL 2 1HG1 VAL 2 0.532 -3.538 -5.176
16 HG12 VAL 2 2HG1 VAL 2 -1.127 -3.210 -5.680
17 HG13 VAL 2 3HG1 VAL 2 0.221 -2.717 -6.705
18 HG21 VAL 2 3HG2 VAL 2 -1.483 -0.279 -3.930
19 HG22 VAL 2 1HG2 VAL 2 -2.113 -1.837 -4.465
20 HG23 VAL 2 2HG2 VAL 2 -1.025 -1.755 -3.079
21 H ARG 3 H ARG 3 2.547 0.469 -5.393
22 HA ARG 3 HA ARG 3 3.763 -0.995 -7.445
23 HB2 ARG 3 HB2 ARG 3 4.696 1.584 -6.172
24 HB3 ARG 3 HB3 ARG 3 5.228 0.960 -7.727
25 HG2 ARG 3 HG2 ARG 3 2.786 1.052 -8.425
26 HG3 ARG 3 HG3 ARG 3 2.526 2.016 -6.970
27 HD2 ARG 3 HD2 ARG 3 4.156 3.650 -7.743
28 HD3 ARG 3 HD3 ARG 3 4.476 2.672 -9.175
29 HE ARG 3 HE ARG 3 2.260 4.444 -8.749
30 HH11 ARG 3 1HH1 ARG 3 3.361 1.617 -10.456
31 HH12 ARG 3 2HH1 ARG 3 2.231 1.802 -11.756
32 HH21 ARG 3 1HH2 ARG 3 0.768 4.699 -10.455
33 HH22 ARG 3 2HH2 ARG 3 0.757 3.556 -11.755
34 H TYR 4 H TYR 4 4.883 -0.175 -4.201
35 HA TYR 4 HA TYR 4 7.358 -1.675 -4.669
36 HB2 TYR 4 HB2 TYR 4 6.653 -0.080 -2.207
37 HB3 TYR 4 HB3 TYR 4 8.247 -0.612 -2.731
38 HD1 TYR 4 HD1 TYR 4 8.568 0.210 -5.408
39 HD2 TYR 4 HD2 TYR 4 6.455 2.210 -2.304
40 HE1 TYR 4 HE1 TYR 4 8.906 2.353 -6.567
41 HE2 TYR 4 HE2 TYR 4 6.786 4.359 -3.454
42 HH TYR 4 HH TYR 4 7.250 4.928 -6.192
43 H THR 5 H THR 5 8.025 -2.617 -2.261
44 HA THR 5 HA THR 5 6.474 -4.959 -2.008
45 HB THR 5 HB THR 5 8.893 -4.810 -1.426
46 HG1 THR 5 HG1 THR 5 8.541 -6.015 0.668
47 HG21 THR 5 3HG2 THR 5 8.351 -3.888 1.305
48 HG22 THR 5 1HG2 THR 5 8.184 -2.640 0.071
49 HG23 THR 5 2HG2 THR 5 9.702 -3.522 0.233
50 H LYS 6 H LYS 6 5.584 -5.719 0.135
51 HA LYS 6 HA LYS 6 3.430 -4.099 0.904
52 HB2 LYS 6 HB2 LYS 6 4.627 -6.401 2.455
53 HB3 LYS 6 HB3 LYS 6 2.995 -5.766 2.620
54 HG2 LYS 6 HG2 LYS 6 3.987 -6.871 0.017
55 HG3 LYS 6 HG3 LYS 6 3.319 -7.913 1.276
56 HD2 LYS 6 HD2 LYS 6 1.399 -7.485 0.136
57 HD3 LYS 6 HD3 LYS 6 1.387 -6.078 1.202
58 HE2 LYS 6 HE2 LYS 6 1.089 -4.989 -0.763
59 HE3 LYS 6 HE3 LYS 6 2.849 -5.080 -0.798
60 HZ1 LYS 6 HZ1 LYS 6 2.811 -6.797 -2.331
61 HZ2 LYS 6 HZ2 LYS 6 1.549 -5.805 -2.863
62 HZ3 LYS 6 HZ3 LYS 6 1.206 -7.217 -1.997
63 H LYS 7 H LYS 7 6.648 -4.470 2.224
64 HA LYS 7 HA LYS 7 6.001 -2.805 4.530
65 HB2 LYS 7 HB2 LYS 7 8.598 -4.135 3.735
66 HB3 LYS 7 HB3 LYS 7 8.314 -3.275 5.242
67 HG2 LYS 7 HG2 LYS 7 6.655 -5.640 4.436
68 HG3 LYS 7 HG3 LYS 7 8.190 -5.817 5.289
69 HD2 LYS 7 HD2 LYS 7 6.133 -3.942 6.366
70 HD3 LYS 7 HD3 LYS 7 5.929 -5.678 6.614
71 HE2 LYS 7 HE2 LYS 7 8.447 -4.183 7.319
72 HE3 LYS 7 HE3 LYS 7 7.126 -4.445 8.456
73 HZ1 LYS 7 HZ1 LYS 7 8.612 -6.176 8.856
74 HZ2 LYS 7 HZ2 LYS 7 8.901 -6.455 7.213
75 HZ3 LYS 7 HZ3 LYS 7 7.417 -6.893 7.897
76 H VAL 8 H VAL 8 8.162 -1.329 4.999
77 HA VAL 8 HA VAL 8 7.877 0.934 3.446
78 HB VAL 8 HB VAL 8 8.935 1.006 5.634
79 HG11 VAL 8 1HG1 VAL 8 11.400 -0.206 4.410
80 HG12 VAL 8 2HG1 VAL 8 11.070 0.120 6.113
81 HG13 VAL 8 3HG1 VAL 8 10.198 -1.163 5.274
82 HG21 VAL 8 3HG2 VAL 8 9.392 2.865 4.188
83 HG22 VAL 8 1HG2 VAL 8 10.868 2.474 5.071
84 HG23 VAL 8 2HG2 VAL 8 10.693 1.984 3.387
85 HA PRO 9 HA PRO 9 9.966 -0.072 -0.322
86 HB2 PRO 9 HB2 PRO 9 10.104 2.447 -1.325
87 HB3 PRO 9 HB3 PRO 9 8.610 1.503 -1.302
88 HG2 PRO 9 HG2 PRO 9 9.524 3.649 0.574
89 HG3 PRO 9 HG3 PRO 9 7.917 3.387 -0.128
90 HD2 PRO 9 HD2 PRO 9 8.540 2.642 2.399
91 HD3 PRO 9 HD3 PRO 9 7.377 1.748 1.399
92 H GLN 10 H GLN 10 12.039 -0.689 0.013
93 HA GLN 10 HA GLN 10 14.014 1.437 0.527
94 HB2 GLN 10 HB2 GLN 10 15.418 -0.270 1.620
95 HB3 GLN 10 HB3 GLN 10 13.879 -0.052 2.441
96 HG2 GLN 10 HG2 GLN 10 13.113 -2.118 1.864
97 HG3 GLN 10 HG3 GLN 10 14.077 -2.186 0.390
98 HE21 GLN 10 1HE2 GLN 10 13.772 -3.309 3.500
99 HE22 GLN 10 2HE2 GLN 10 15.363 -3.947 3.717
100 H VAL 11 H VAL 11 16.328 0.342 -0.064
101 HA VAL 11 HA VAL 11 16.531 0.385 -2.815
102 HB VAL 11 HB VAL 11 18.466 0.673 -1.352
103 HG11 VAL 11 1HG1 VAL 11 17.859 -1.071 0.290
104 HG12 VAL 11 2HG1 VAL 11 18.322 -2.303 -0.886
105 HG13 VAL 11 3HG1 VAL 11 19.533 -1.190 -0.249
106 HG21 VAL 11 3HG2 VAL 11 18.934 -1.698 -3.149
107 HG22 VAL 11 1HG2 VAL 11 18.704 -0.055 -3.745
108 HG23 VAL 11 2HG2 VAL 11 20.080 -0.432 -2.708
109 H SER 12 H SER 12 15.790 -2.292 -0.707
110 HA SER 12 HA SER 12 15.936 -4.173 -2.950
111 HB2 SER 12 HB2 SER 12 17.048 -4.928 -0.932
112 HB3 SER 12 HB3 SER 12 15.593 -4.637 0.022
113 HG SER 12 HG SER 12 15.533 -6.769 -0.432
114 H THR 13 H THR 13 14.143 -4.265 -4.128
115 HA THR 13 HA THR 13 11.589 -4.673 -2.764
116 HB THR 13 HB THR 13 10.631 -3.151 -4.719
117 HG1 THR 13 HG1 THR 13 12.754 -2.663 -5.527
118 HG21 THR 13 3HG2 THR 13 10.578 -1.266 -3.136
119 HG22 THR 13 1HG2 THR 13 11.803 -2.068 -2.153
120 HG23 THR 13 2HG2 THR 13 10.209 -2.798 -2.344
121 HA PRO 14 HA PRO 14 10.831 -7.676 -5.873
122 HB2 PRO 14 HB2 PRO 14 8.151 -7.452 -6.249
123 HB3 PRO 14 HB3 PRO 14 8.861 -8.155 -4.791
124 HG2 PRO 14 HG2 PRO 14 7.793 -5.394 -5.234
125 HG3 PRO 14 HG3 PRO 14 7.574 -6.468 -3.841
126 HD2 PRO 14 HD2 PRO 14 9.360 -4.433 -3.844
127 HD3 PRO 14 HD3 PRO 14 9.634 -5.943 -2.952
128 H THR 15 H THR 15 10.524 -7.979 -8.081
129 HA THR 15 HA THR 15 10.184 -5.503 -9.642
130 HB THR 15 HB THR 15 11.567 -8.000 -10.616
131 HG1 THR 15 HG1 THR 15 13.434 -7.239 -9.806
132 HG21 THR 15 3HG2 THR 15 11.367 -5.155 -11.558
133 HG22 THR 15 1HG2 THR 15 11.027 -6.639 -12.446
134 HG23 THR 15 2HG2 THR 15 12.693 -6.199 -12.068
135 H LEU 16 H LEU 16 7.969 -5.588 -9.942
136 HA LEU 16 HA LEU 16 7.040 -7.759 -11.694
137 HB2 LEU 16 HB2 LEU 16 6.249 -7.748 -9.196
138 HB3 LEU 16 HB3 LEU 16 5.165 -6.477 -9.759
139 HG LEU 16 HG LEU 16 4.057 -8.652 -9.711
140 HD11 LEU 16 1HD1 LEU 16 2.879 -8.231 -11.579
141 HD12 LEU 16 2HD1 LEU 16 4.306 -8.246 -12.614
142 HD13 LEU 16 3HD1 LEU 16 3.914 -6.806 -11.675
143 HD21 LEU 16 3HD2 LEU 16 5.290 -9.883 -11.974
144 HD22 LEU 16 1HD2 LEU 16 5.082 -10.515 -10.340
145 HD23 LEU 16 2HD2 LEU 16 6.516 -9.570 -10.744
Start of MODEL 5
1 H1 LEU 1 H LEU 1 1.314 -0.540 1.284
2 HA LEU 1 HA LEU 1 1.789 1.385 -0.893
3 HB2 LEU 1 HB2 LEU 1 3.490 -0.926 0.034
4 HB3 LEU 1 HB3 LEU 1 3.867 0.141 -1.317
5 HG LEU 1 HG LEU 1 3.505 1.277 1.426
6 HD11 LEU 1 1HD1 LEU 1 5.154 -0.731 1.330
7 HD12 LEU 1 2HD1 LEU 1 5.645 0.770 2.114
8 HD13 LEU 1 3HD1 LEU 1 6.199 0.406 0.480
9 HD21 LEU 1 3HD2 LEU 1 3.975 3.118 0.273
10 HD22 LEU 1 1HD2 LEU 1 4.362 2.186 -1.174
11 HD23 LEU 1 2HD2 LEU 1 5.604 2.480 0.044
12 H VAL 2 H VAL 2 1.402 0.819 -2.973
13 HA VAL 2 HA VAL 2 0.297 -1.876 -3.432
14 HB VAL 2 HB VAL 2 -1.357 -0.041 -3.667
15 HG11 VAL 2 1HG1 VAL 2 -1.065 1.772 -4.969
16 HG12 VAL 2 2HG1 VAL 2 0.648 1.389 -4.788
17 HG13 VAL 2 3HG1 VAL 2 -0.226 0.864 -6.227
18 HG21 VAL 2 3HG2 VAL 2 -0.824 -1.223 -6.374
19 HG22 VAL 2 1HG2 VAL 2 -1.342 -2.221 -5.015
20 HG23 VAL 2 2HG2 VAL 2 -2.372 -0.909 -5.589
21 H ARG 3 H ARG 3 2.570 0.524 -4.466
22 HA ARG 3 HA ARG 3 3.219 -0.948 -6.901
23 HB2 ARG 3 HB2 ARG 3 3.232 1.741 -6.297
24 HB3 ARG 3 HB3 ARG 3 4.937 1.317 -6.202
25 HG2 ARG 3 HG2 ARG 3 3.471 0.316 -8.559
26 HG3 ARG 3 HG3 ARG 3 3.724 2.060 -8.466
27 HD2 ARG 3 HD2 ARG 3 5.648 1.452 -9.531
28 HD3 ARG 3 HD3 ARG 3 6.182 1.315 -7.856
29 HE ARG 3 HE ARG 3 6.374 -0.949 -8.139
30 HH11 ARG 3 1HH1 ARG 3 4.484 0.374 -10.747
31 HH12 ARG 3 2HH1 ARG 3 4.451 -1.106 -11.647
32 HH21 ARG 3 1HH2 ARG 3 6.338 -2.903 -9.315
33 HH22 ARG 3 2HH2 ARG 3 5.505 -2.970 -10.831
34 H TYR 4 H TYR 4 4.610 -0.106 -3.774
35 HA TYR 4 HA TYR 4 7.016 -1.651 -4.382
36 HB2 TYR 4 HB2 TYR 4 6.428 -0.133 -1.842
37 HB3 TYR 4 HB3 TYR 4 7.994 -0.666 -2.444
38 HD1 TYR 4 HD1 TYR 4 7.862 0.211 -5.260
39 HD2 TYR 4 HD2 TYR 4 6.616 2.187 -1.705
40 HE1 TYR 4 HE1 TYR 4 8.181 2.386 -6.364
41 HE2 TYR 4 HE2 TYR 4 6.930 4.367 -2.799
42 HH TYR 4 HH TYR 4 7.316 4.720 -6.118
43 H THR 5 H THR 5 7.797 -2.729 -2.100
44 HA THR 5 HA THR 5 6.186 -5.032 -1.832
45 HB THR 5 HB THR 5 8.642 -5.008 -1.448
46 HG1 THR 5 HG1 THR 5 8.512 -6.569 0.115
47 HG21 THR 5 3HG2 THR 5 9.645 -3.800 0.160
48 HG22 THR 5 1HG2 THR 5 8.398 -4.172 1.349
49 HG23 THR 5 2HG2 THR 5 8.148 -2.869 0.187
50 H LYS 6 H LYS 6 5.247 -5.857 0.175
51 HA LYS 6 HA LYS 6 3.320 -4.161 1.251
52 HB2 LYS 6 HB2 LYS 6 3.679 -6.817 1.288
53 HB3 LYS 6 HB3 LYS 6 4.230 -6.447 2.916
54 HG2 LYS 6 HG2 LYS 6 2.089 -6.607 3.498
55 HG3 LYS 6 HG3 LYS 6 1.895 -5.023 2.742
56 HD2 LYS 6 HD2 LYS 6 1.608 -7.623 1.245
57 HD3 LYS 6 HD3 LYS 6 0.253 -6.786 2.005
58 HE2 LYS 6 HE2 LYS 6 2.052 -5.690 -0.154
59 HE3 LYS 6 HE3 LYS 6 0.386 -6.230 -0.358
60 HZ1 LYS 6 HZ1 LYS 6 1.382 -3.724 0.603
61 HZ2 LYS 6 HZ2 LYS 6 0.240 -4.401 1.651
62 HZ3 LYS 6 HZ3 LYS 6 -0.159 -4.123 0.031
63 H LYS 7 H LYS 7 6.609 -4.706 2.198
64 HA LYS 7 HA LYS 7 6.227 -3.282 4.725
65 HB2 LYS 7 HB2 LYS 7 7.821 -5.421 4.060
66 HB3 LYS 7 HB3 LYS 7 8.957 -4.080 4.006
67 HG2 LYS 7 HG2 LYS 7 9.180 -4.433 6.196
68 HG3 LYS 7 HG3 LYS 7 7.633 -3.596 6.340
69 HD2 LYS 7 HD2 LYS 7 7.826 -6.567 5.915
70 HD3 LYS 7 HD3 LYS 7 7.841 -5.839 7.523
71 HE2 LYS 7 HE2 LYS 7 5.679 -5.152 5.571
72 HE3 LYS 7 HE3 LYS 7 5.595 -6.650 6.496
73 HZ1 LYS 7 HZ1 LYS 7 6.189 -4.272 8.040
74 HZ2 LYS 7 HZ2 LYS 7 5.145 -5.556 8.388
75 HZ3 LYS 7 HZ3 LYS 7 4.642 -4.313 7.357
76 H VAL 8 H VAL 8 8.575 -2.001 5.088
77 HA VAL 8 HA VAL 8 8.243 0.426 3.774
78 HB VAL 8 HB VAL 8 9.459 0.268 5.874
79 HG11 VAL 8 1HG1 VAL 8 11.689 -1.030 4.314
80 HG12 VAL 8 2HG1 VAL 8 11.663 -0.675 6.043
81 HG13 VAL 8 3HG1 VAL 8 10.577 -1.894 5.375
82 HG21 VAL 8 3HG2 VAL 8 9.900 2.222 4.554
83 HG22 VAL 8 1HG2 VAL 8 11.414 1.695 5.288
84 HG23 VAL 8 2HG2 VAL 8 11.094 1.357 3.587
85 HA PRO 9 HA PRO 9 10.004 -0.344 -0.210
86 HB2 PRO 9 HB2 PRO 9 10.191 2.243 -1.013
87 HB3 PRO 9 HB3 PRO 9 8.658 1.364 -0.953
88 HG2 PRO 9 HG2 PRO 9 9.808 3.303 1.017
89 HG3 PRO 9 HG3 PRO 9 8.144 3.170 0.419
90 HD2 PRO 9 HD2 PRO 9 8.911 2.187 2.822
91 HD3 PRO 9 HD3 PRO 9 7.637 1.431 1.844
92 H GLN 10 H GLN 10 12.059 -0.892 -0.536
93 HA GLN 10 HA GLN 10 14.164 1.034 0.160
94 HB2 GLN 10 HB2 GLN 10 13.747 -1.195 1.655
95 HB3 GLN 10 HB3 GLN 10 14.880 -1.812 0.461
96 HG2 GLN 10 HG2 GLN 10 16.589 -0.475 1.181
97 HG3 GLN 10 HG3 GLN 10 15.502 0.757 1.821
98 HE21 GLN 10 1HE2 GLN 10 16.104 0.917 3.884
99 HE22 GLN 10 2HE2 GLN 10 16.149 -0.391 5.011
100 H VAL 11 H VAL 11 16.366 -0.117 -0.748
101 HA VAL 11 HA VAL 11 16.285 0.195 -3.504
102 HB VAL 11 HB VAL 11 18.363 0.338 -2.220
103 HG11 VAL 11 1HG1 VAL 11 17.859 -1.579 -0.710
104 HG12 VAL 11 2HG1 VAL 11 18.265 -2.669 -2.036
105 HG13 VAL 11 3HG1 VAL 11 19.494 -1.595 -1.369
106 HG21 VAL 11 3HG2 VAL 11 18.394 -0.121 -4.664
107 HG22 VAL 11 1HG2 VAL 11 19.818 -0.721 -3.814
108 HG23 VAL 11 2HG2 VAL 11 18.544 -1.840 -4.300
109 H SER 12 H SER 12 15.634 -2.610 -1.560
110 HA SER 12 HA SER 12 15.497 -4.292 -3.966
111 HB2 SER 12 HB2 SER 12 16.861 -5.334 -2.322
112 HB3 SER 12 HB3 SER 12 15.716 -4.966 -1.032
113 HG SER 12 HG SER 12 14.905 -6.852 -1.436
114 H THR 13 H THR 13 13.513 -3.623 -4.768
115 HA THR 13 HA THR 13 11.195 -4.507 -3.188
116 HB THR 13 HB THR 13 10.007 -2.551 -4.543
117 HG1 THR 13 HG1 THR 13 11.518 -1.400 -5.501
118 HG21 THR 13 3HG2 THR 13 11.127 -1.162 -2.377
119 HG22 THR 13 1HG2 THR 13 11.072 -2.855 -1.888
120 HG23 THR 13 2HG2 THR 13 9.598 -2.040 -2.412
121 HA PRO 14 HA PRO 14 9.849 -6.655 -6.771
122 HB2 PRO 14 HB2 PRO 14 7.154 -6.348 -6.648
123 HB3 PRO 14 HB3 PRO 14 8.054 -7.387 -5.537
124 HG2 PRO 14 HG2 PRO 14 7.037 -4.603 -5.121
125 HG3 PRO 14 HG3 PRO 14 6.995 -5.987 -4.013
126 HD2 PRO 14 HD2 PRO 14 8.835 -4.011 -3.808
127 HD3 PRO 14 HD3 PRO 14 9.187 -5.694 -3.364
128 H THR 15 H THR 15 10.029 -6.074 -8.833
129 HA THR 15 HA THR 15 8.539 -3.724 -9.785
130 HB THR 15 HB THR 15 11.255 -4.332 -10.901
131 HG1 THR 15 HG1 THR 15 12.099 -3.756 -9.053
132 HG21 THR 15 3HG2 THR 15 10.944 -1.645 -10.918
133 HG22 THR 15 1HG2 THR 15 9.263 -2.163 -11.035
134 HG23 THR 15 2HG2 THR 15 10.437 -2.701 -12.236
135 H LEU 16 H LEU 16 6.991 -5.208 -10.619
136 HA LEU 16 HA LEU 16 7.931 -6.749 -12.947
137 HB2 LEU 16 HB2 LEU 16 6.927 -8.062 -11.084
138 HB3 LEU 16 HB3 LEU 16 5.417 -7.191 -11.344
139 HG LEU 16 HG LEU 16 5.373 -8.140 -13.664
140 HD11 LEU 16 1HD1 LEU 16 6.774 -10.278 -13.866
141 HD12 LEU 16 2HD1 LEU 16 7.780 -9.575 -12.600
142 HD13 LEU 16 3HD1 LEU 16 7.578 -8.731 -14.135
143 HD21 LEU 16 3HD2 LEU 16 5.355 -10.052 -11.333
144 HD22 LEU 16 1HD2 LEU 16 4.672 -10.394 -12.923
145 HD23 LEU 16 2HD2 LEU 16 3.998 -9.098 -11.934
Start of MODEL 6
1 H1 LEU 1 H LEU 1 2.905 -0.088 1.942
2 HA LEU 1 HA LEU 1 1.364 1.857 0.607
3 HB2 LEU 1 HB2 LEU 1 3.160 2.702 -0.915
4 HB3 LEU 1 HB3 LEU 1 3.228 3.307 0.739
5 HG LEU 1 HG LEU 1 4.911 1.160 0.861
6 HD11 LEU 1 1HD1 LEU 1 6.405 1.851 -1.233
7 HD12 LEU 1 2HD1 LEU 1 4.811 2.137 -1.931
8 HD13 LEU 1 3HD1 LEU 1 5.223 0.544 -1.297
9 HD21 LEU 1 3HD2 LEU 1 6.562 3.272 0.189
10 HD22 LEU 1 1HD2 LEU 1 5.955 2.889 1.800
11 HD23 LEU 1 2HD2 LEU 1 5.100 4.055 0.790
12 H VAL 2 H VAL 2 0.487 0.922 -1.131
13 HA VAL 2 HA VAL 2 1.738 -1.543 -2.137
14 HB VAL 2 HB VAL 2 -0.545 -2.025 -3.085
15 HG11 VAL 2 1HG1 VAL 2 -1.258 -3.058 -1.146
16 HG12 VAL 2 2HG1 VAL 2 0.452 -2.787 -0.805
17 HG13 VAL 2 3HG1 VAL 2 -0.766 -1.710 -0.122
18 HG21 VAL 2 3HG2 VAL 2 -1.167 0.494 -2.798
19 HG22 VAL 2 1HG2 VAL 2 -2.397 -0.750 -2.575
20 HG23 VAL 2 2HG2 VAL 2 -1.632 -0.005 -1.171
21 H ARG 3 H ARG 3 2.729 0.922 -3.041
22 HA ARG 3 HA ARG 3 1.596 1.222 -5.730
23 HB2 ARG 3 HB2 ARG 3 2.226 3.161 -4.011
24 HB3 ARG 3 HB3 ARG 3 3.804 2.968 -4.763
25 HG2 ARG 3 HG2 ARG 3 2.641 4.702 -5.907
26 HG3 ARG 3 HG3 ARG 3 2.716 3.301 -6.977
27 HD2 ARG 3 HD2 ARG 3 0.434 2.709 -6.402
28 HD3 ARG 3 HD3 ARG 3 0.355 4.046 -5.255
29 HE ARG 3 HE ARG 3 1.001 4.926 -7.892
30 HH11 ARG 3 1HH1 ARG 3 -1.622 3.949 -5.821
31 HH12 ARG 3 2HH1 ARG 3 -2.818 4.851 -6.691
32 HH21 ARG 3 1HH2 ARG 3 -0.565 6.118 -9.046
33 HH22 ARG 3 2HH2 ARG 3 -2.215 6.083 -8.526
34 H TYR 4 H TYR 4 4.616 0.527 -4.035
35 HA TYR 4 HA TYR 4 5.787 -0.327 -6.600
36 HB2 TYR 4 HB2 TYR 4 7.333 0.366 -4.103
37 HB3 TYR 4 HB3 TYR 4 7.953 0.173 -5.739
38 HD1 TYR 4 HD2 TYR 4 6.856 1.833 -7.508
39 HD2 TYR 4 HD1 TYR 4 7.025 2.511 -3.311
40 HE1 TYR 4 HE2 TYR 4 6.603 4.249 -7.894
41 HE2 TYR 4 HE1 TYR 4 6.772 4.929 -3.685
42 HH TYR 4 HH TYR 4 7.207 6.387 -6.637
43 H THR 5 H THR 5 6.226 -1.046 -3.132
44 HA THR 5 HA THR 5 6.016 -3.908 -3.774
45 HB THR 5 HB THR 5 8.407 -3.360 -3.574
46 HG1 THR 5 HG1 THR 5 7.786 -4.746 -1.204
47 HG21 THR 5 3HG2 THR 5 8.733 -2.957 -0.822
48 HG22 THR 5 1HG2 THR 5 7.472 -1.829 -1.318
49 HG23 THR 5 2HG2 THR 5 9.045 -1.799 -2.114
50 H LYS 6 H LYS 6 5.587 -5.262 -1.866
51 HA LYS 6 HA LYS 6 3.405 -4.384 -0.395
52 HB2 LYS 6 HB2 LYS 6 5.185 -6.722 -0.360
53 HB3 LYS 6 HB3 LYS 6 4.424 -6.375 1.187
54 HG2 LYS 6 HG2 LYS 6 2.768 -6.463 -1.295
55 HG3 LYS 6 HG3 LYS 6 3.262 -7.962 -0.505
56 HD2 LYS 6 HD2 LYS 6 1.324 -7.628 0.627
57 HD3 LYS 6 HD3 LYS 6 2.371 -6.626 1.635
58 HE2 LYS 6 HE2 LYS 6 1.561 -4.653 0.740
59 HE3 LYS 6 HE3 LYS 6 1.006 -5.433 -0.741
60 HZ1 LYS 6 HZ1 LYS 6 -0.797 -6.431 0.447
61 HZ2 LYS 6 HZ2 LYS 6 -0.811 -4.771 0.768
62 HZ3 LYS 6 HZ3 LYS 6 -0.223 -5.851 1.929
63 H LYS 7 H LYS 7 6.719 -4.909 0.822
64 HA LYS 7 HA LYS 7 6.125 -3.455 3.248
65 HB2 LYS 7 HB2 LYS 7 7.871 -5.475 2.642
66 HB3 LYS 7 HB3 LYS 7 8.939 -4.078 2.669
67 HG2 LYS 7 HG2 LYS 7 9.069 -4.511 4.859
68 HG3 LYS 7 HG3 LYS 7 7.515 -3.678 4.938
69 HD2 LYS 7 HD2 LYS 7 7.807 -6.652 4.544
70 HD3 LYS 7 HD3 LYS 7 7.588 -5.888 6.120
71 HE2 LYS 7 HE2 LYS 7 5.524 -4.777 4.964
72 HE3 LYS 7 HE3 LYS 7 5.675 -6.125 3.838
73 HZ1 LYS 7 HZ1 LYS 7 4.522 -7.305 5.299
74 HZ2 LYS 7 HZ2 LYS 7 4.627 -6.101 6.482
75 HZ3 LYS 7 HZ3 LYS 7 5.859 -7.250 6.334
76 H VAL 8 H VAL 8 8.372 -2.061 3.814
77 HA VAL 8 HA VAL 8 7.981 0.371 2.456
78 HB VAL 8 HB VAL 8 8.834 0.323 4.732
79 HG11 VAL 8 1HG1 VAL 8 10.485 -1.694 3.833
80 HG12 VAL 8 2HG1 VAL 8 11.592 -0.345 4.099
81 HG13 VAL 8 3HG1 VAL 8 10.561 -0.914 5.413
82 HG21 VAL 8 3HG2 VAL 8 9.328 2.303 3.470
83 HG22 VAL 8 1HG2 VAL 8 10.735 1.909 4.457
84 HG23 VAL 8 2HG2 VAL 8 10.736 1.539 2.733
85 HA PRO 9 HA PRO 9 10.446 -0.262 -1.163
86 HB2 PRO 9 HB2 PRO 9 10.552 2.328 -1.969
87 HB3 PRO 9 HB3 PRO 9 9.109 1.324 -2.151
88 HG2 PRO 9 HG2 PRO 9 9.746 3.360 -0.051
89 HG3 PRO 9 HG3 PRO 9 8.223 3.084 -0.917
90 HD2 PRO 9 HD2 PRO 9 8.652 2.179 1.598
91 HD3 PRO 9 HD3 PRO 9 7.629 1.314 0.434
92 H GLN 10 H GLN 10 12.525 -0.782 -0.792
93 HA GLN 10 HA GLN 10 14.424 1.372 -0.363
94 HB2 GLN 10 HB2 GLN 10 13.819 -0.721 1.641
95 HB3 GLN 10 HB3 GLN 10 15.524 -0.397 1.352
96 HG2 GLN 10 HG2 GLN 10 13.517 1.738 2.022
97 HG3 GLN 10 HG3 GLN 10 14.489 0.892 3.226
98 HE21 GLN 10 1HE2 GLN 10 16.630 1.384 3.447
99 HE22 GLN 10 2HE2 GLN 10 17.392 2.704 2.634
100 H VAL 11 H VAL 11 14.610 -2.172 -0.084
101 HA VAL 11 HA VAL 11 16.321 -2.192 -2.482
102 HB VAL 11 HB VAL 11 16.777 -3.903 -0.036
103 HG11 VAL 11 1HG1 VAL 11 18.093 -3.659 -2.704
104 HG12 VAL 11 2HG1 VAL 11 19.054 -4.118 -1.296
105 HG13 VAL 11 3HG1 VAL 11 17.675 -5.104 -1.784
106 HG21 VAL 11 3HG2 VAL 11 18.797 -2.499 0.302
107 HG22 VAL 11 1HG2 VAL 11 18.207 -1.413 -0.956
108 HG23 VAL 11 2HG2 VAL 11 17.286 -1.619 0.533
109 H SER 12 H SER 12 14.170 -4.017 -0.356
110 HA SER 12 HA SER 12 13.951 -6.207 -2.234
111 HB2 SER 12 HB2 SER 12 12.846 -5.611 0.483
112 HB3 SER 12 HB3 SER 12 12.056 -6.836 -0.509
113 HG SER 12 HG SER 12 14.192 -7.139 0.970
114 H THR 13 H THR 13 12.972 -5.575 -4.088
115 HA THR 13 HA THR 13 10.184 -4.678 -3.854
116 HB THR 13 HB THR 13 10.782 -3.418 -6.120
117 HG1 THR 13 HG1 THR 13 12.888 -3.447 -6.380
118 HG21 THR 13 3HG2 THR 13 10.818 -2.597 -3.284
119 HG22 THR 13 1HG2 THR 13 9.851 -1.990 -4.628
120 HG23 THR 13 2HG2 THR 13 11.518 -1.451 -4.427
121 HA PRO 14 HA PRO 14 9.211 -7.762 -6.821
122 HB2 PRO 14 HB2 PRO 14 7.256 -6.565 -8.276
123 HB3 PRO 14 HB3 PRO 14 7.013 -7.125 -6.617
124 HG2 PRO 14 HG2 PRO 14 7.583 -4.363 -7.619
125 HG3 PRO 14 HG3 PRO 14 6.429 -4.887 -6.378
126 HD2 PRO 14 HD2 PRO 14 8.841 -3.819 -5.766
127 HD3 PRO 14 HD3 PRO 14 8.057 -5.048 -4.754
128 H THR 15 H THR 15 11.381 -7.484 -7.825
129 HA THR 15 HA THR 15 11.171 -6.267 -10.503
130 HB THR 15 HB THR 15 13.637 -6.039 -10.470
131 HG1 THR 15 HG1 THR 15 14.630 -7.162 -8.981
132 HG21 THR 15 3HG2 THR 15 12.460 -4.688 -8.050
133 HG22 THR 15 1HG2 THR 15 12.039 -4.222 -9.698
134 HG23 THR 15 2HG2 THR 15 13.706 -4.082 -9.141
135 H LEU 16 H LEU 16 10.195 -8.390 -11.058
136 HA LEU 16 HA LEU 16 12.309 -10.266 -11.837
137 HB2 LEU 16 HB2 LEU 16 9.845 -10.853 -10.263
138 HB3 LEU 16 HB3 LEU 16 10.448 -12.064 -11.394
139 HG LEU 16 HG LEU 16 12.026 -10.907 -9.096
140 HD11 LEU 16 1HD1 LEU 16 10.722 -12.244 -7.862
141 HD12 LEU 16 2HD1 LEU 16 11.670 -13.553 -8.567
142 HD13 LEU 16 3HD1 LEU 16 10.113 -13.116 -9.269
143 HD21 LEU 16 3HD2 LEU 16 13.810 -11.922 -9.945
144 HD22 LEU 16 1HD2 LEU 16 12.880 -12.208 -11.416
145 HD23 LEU 16 2HD2 LEU 16 12.921 -13.433 -10.148
Start of MODEL 7
1 H1 LEU 1 H LEU 1 0.155 2.628 -0.374
2 HA LEU 1 HA LEU 1 2.216 2.393 -2.323
3 HB2 LEU 1 HB2 LEU 1 2.334 3.023 0.198
4 HB3 LEU 1 HB3 LEU 1 2.439 1.282 0.444
5 HG LEU 1 HG LEU 1 4.342 2.564 -1.455
6 HD11 LEU 1 1HD1 LEU 1 5.876 2.886 0.548
7 HD12 LEU 1 2HD1 LEU 1 4.416 2.828 1.535
8 HD13 LEU 1 3HD1 LEU 1 4.604 4.085 0.312
9 HD21 LEU 1 3HD2 LEU 1 4.589 0.257 -1.373
10 HD22 LEU 1 1HD2 LEU 1 4.282 0.185 0.363
11 HD23 LEU 1 2HD2 LEU 1 5.813 0.825 -0.236
12 H VAL 2 H VAL 2 1.053 0.778 -3.664
13 HA VAL 2 HA VAL 2 1.383 -1.963 -2.640
14 HB VAL 2 HB VAL 2 -0.176 -2.683 -4.372
15 HG11 VAL 2 1HG1 VAL 2 -1.414 -0.335 -2.961
16 HG12 VAL 2 2HG1 VAL 2 -2.159 -1.877 -3.388
17 HG13 VAL 2 3HG1 VAL 2 -0.942 -1.807 -2.113
18 HG21 VAL 2 3HG2 VAL 2 0.183 0.102 -5.291
19 HG22 VAL 2 1HG2 VAL 2 -0.097 -1.373 -6.216
20 HG23 VAL 2 2HG2 VAL 2 -1.446 -0.563 -5.419
21 H ARG 3 H ARG 3 2.285 0.269 -5.159
22 HA ARG 3 HA ARG 3 3.317 -1.445 -7.078
23 HB2 ARG 3 HB2 ARG 3 3.142 1.205 -6.917
24 HB3 ARG 3 HB3 ARG 3 4.829 1.044 -6.448
25 HG2 ARG 3 HG2 ARG 3 5.035 -0.409 -8.577
26 HG3 ARG 3 HG3 ARG 3 3.520 0.366 -9.045
27 HD2 ARG 3 HD2 ARG 3 4.639 2.575 -8.619
28 HD3 ARG 3 HD3 ARG 3 6.153 1.692 -8.428
29 HE ARG 3 HE ARG 3 6.277 1.531 -10.699
30 HH11 ARG 3 1HH1 ARG 3 2.975 2.182 -9.810
31 HH12 ARG 3 2HH1 ARG 3 2.431 2.354 -11.446
32 HH21 ARG 3 1HH2 ARG 3 5.574 1.755 -12.857
33 HH22 ARG 3 2HH2 ARG 3 3.910 2.110 -13.178
34 H TYR 4 H TYR 4 4.588 -0.561 -3.963
35 HA TYR 4 HA TYR 4 7.103 -1.962 -4.548
36 HB2 TYR 4 HB2 TYR 4 6.485 -0.330 -2.086
37 HB3 TYR 4 HB3 TYR 4 8.063 -0.836 -2.680
38 HD1 TYR 4 HD1 TYR 4 7.864 -0.115 -5.537
39 HD2 TYR 4 HD2 TYR 4 6.588 1.999 -2.072
40 HE1 TYR 4 HE1 TYR 4 8.088 2.008 -6.758
41 HE2 TYR 4 HE2 TYR 4 6.807 4.129 -3.284
42 HH TYR 4 HH TYR 4 8.452 4.763 -5.605
43 H THR 5 H THR 5 7.935 -2.871 -2.203
44 HA THR 5 HA THR 5 6.461 -5.233 -1.809
45 HB THR 5 HB THR 5 8.902 -4.994 -1.348
46 HG1 THR 5 HG1 THR 5 7.643 -6.738 -0.459
47 HG21 THR 5 3HG2 THR 5 8.431 -4.040 1.392
48 HG22 THR 5 1HG2 THR 5 8.213 -2.822 0.136
49 HG23 THR 5 2HG2 THR 5 9.748 -3.679 0.276
50 H LYS 6 H LYS 6 5.381 -5.985 0.098
51 HA LYS 6 HA LYS 6 3.361 -4.351 1.036
52 HB2 LYS 6 HB2 LYS 6 4.566 -6.743 2.441
53 HB3 LYS 6 HB3 LYS 6 2.983 -6.051 2.770
54 HG2 LYS 6 HG2 LYS 6 3.809 -7.229 0.126
55 HG3 LYS 6 HG3 LYS 6 2.912 -8.093 1.377
56 HD2 LYS 6 HD2 LYS 6 1.973 -5.515 0.131
57 HD3 LYS 6 HD3 LYS 6 1.509 -7.111 -0.463
58 HE2 LYS 6 HE2 LYS 6 0.992 -6.010 2.299
59 HE3 LYS 6 HE3 LYS 6 -0.201 -6.206 1.016
60 HZ1 LYS 6 HZ1 LYS 6 1.045 -8.229 2.720
61 HZ2 LYS 6 HZ2 LYS 6 0.659 -8.673 1.135
62 HZ3 LYS 6 HZ3 LYS 6 -0.552 -8.112 2.174
63 H LYS 7 H LYS 7 6.614 -4.737 2.223
64 HA LYS 7 HA LYS 7 6.031 -3.129 4.595
65 HB2 LYS 7 HB2 LYS 7 8.608 -4.471 3.758
66 HB3 LYS 7 HB3 LYS 7 8.306 -3.687 5.302
67 HG2 LYS 7 HG2 LYS 7 6.431 -5.833 4.544
68 HG3 LYS 7 HG3 LYS 7 8.085 -6.326 4.912
69 HD2 LYS 7 HD2 LYS 7 6.867 -6.436 6.948
70 HD3 LYS 7 HD3 LYS 7 7.887 -4.998 7.044
71 HE2 LYS 7 HE2 LYS 7 6.072 -3.555 6.682
72 HE3 LYS 7 HE3 LYS 7 5.045 -4.859 6.087
73 HZ1 LYS 7 HZ1 LYS 7 5.055 -3.878 8.619
74 HZ2 LYS 7 HZ2 LYS 7 5.966 -5.296 8.767
75 HZ3 LYS 7 HZ3 LYS 7 4.395 -5.361 8.142
76 H VAL 8 H VAL 8 8.293 -1.754 5.035
77 HA VAL 8 HA VAL 8 8.031 0.565 3.562
78 HB VAL 8 HB VAL 8 9.190 0.527 5.700
79 HG11 VAL 8 1HG1 VAL 8 10.581 -1.627 4.607
80 HG12 VAL 8 2HG1 VAL 8 11.786 -0.352 4.803
81 HG13 VAL 8 3HG1 VAL 8 10.834 -0.888 6.188
82 HG21 VAL 8 3HG2 VAL 8 11.149 1.940 5.091
83 HG22 VAL 8 1HG2 VAL 8 10.880 1.506 3.403
84 HG23 VAL 8 2HG2 VAL 8 9.652 2.413 4.288
85 HA PRO 9 HA PRO 9 9.905 -0.405 -0.326
86 HB2 PRO 9 HB2 PRO 9 10.097 2.136 -1.262
87 HB3 PRO 9 HB3 PRO 9 8.569 1.249 -1.197
88 HG2 PRO 9 HG2 PRO 9 9.652 3.300 0.696
89 HG3 PRO 9 HG3 PRO 9 8.006 3.122 0.061
90 HD2 PRO 9 HD2 PRO 9 8.714 2.277 2.535
91 HD3 PRO 9 HD3 PRO 9 7.472 1.459 1.565
92 H GLN 10 H GLN 10 11.971 -0.921 -0.632
93 HA GLN 10 HA GLN 10 14.043 1.045 0.043
94 HB2 GLN 10 HB2 GLN 10 13.638 -1.024 1.690
95 HB3 GLN 10 HB3 GLN 10 14.675 -1.821 0.514
96 HG2 GLN 10 HG2 GLN 10 16.501 -0.576 1.066
97 HG3 GLN 10 HG3 GLN 10 15.539 0.809 1.581
98 HE21 GLN 10 1HE2 GLN 10 16.837 -2.284 2.492
99 HE22 GLN 10 2HE2 GLN 10 16.572 -2.123 4.191
100 H VAL 11 H VAL 11 16.258 0.112 -0.831
101 HA VAL 11 HA VAL 11 16.165 0.160 -3.595
102 HB VAL 11 HB VAL 11 18.213 0.608 -2.330
103 HG11 VAL 11 1HG1 VAL 11 17.660 -1.631 -0.925
104 HG12 VAL 11 2HG1 VAL 11 18.908 -2.236 -2.017
105 HG13 VAL 11 3HG1 VAL 11 19.245 -0.859 -0.966
106 HG21 VAL 11 3HG2 VAL 11 19.699 -0.200 -3.925
107 HG22 VAL 11 1HG2 VAL 11 18.831 -1.725 -4.104
108 HG23 VAL 11 2HG2 VAL 11 18.153 -0.240 -4.771
109 H SER 12 H SER 12 15.864 -2.544 -1.413
110 HA SER 12 HA SER 12 15.924 -4.435 -3.652
111 HB2 SER 12 HB2 SER 12 15.948 -6.182 -1.894
112 HB3 SER 12 HB3 SER 12 17.284 -5.045 -1.720
113 HG SER 12 HG SER 12 16.476 -5.150 0.282
114 H THR 13 H THR 13 13.857 -3.466 -4.393
115 HA THR 13 HA THR 13 11.556 -4.556 -2.907
116 HB THR 13 HB THR 13 10.333 -2.844 -4.545
117 HG1 THR 13 HG1 THR 13 11.603 -1.299 -5.273
118 HG21 THR 13 3HG2 THR 13 10.767 -1.085 -2.653
119 HG22 THR 13 1HG2 THR 13 11.592 -2.430 -1.866
120 HG23 THR 13 2HG2 THR 13 9.887 -2.571 -2.296
121 HA PRO 14 HA PRO 14 10.497 -7.185 -6.257
122 HB2 PRO 14 HB2 PRO 14 7.787 -7.032 -6.274
123 HB3 PRO 14 HB3 PRO 14 8.693 -7.878 -5.015
124 HG2 PRO 14 HG2 PRO 14 7.502 -5.132 -4.971
125 HG3 PRO 14 HG3 PRO 14 7.488 -6.377 -3.709
126 HD2 PRO 14 HD2 PRO 14 9.203 -4.282 -3.670
127 HD3 PRO 14 HD3 PRO 14 9.629 -5.876 -3.016
128 H THR 15 H THR 15 10.986 -6.619 -8.286
129 HA THR 15 HA THR 15 9.520 -4.391 -9.529
130 HB THR 15 HB THR 15 11.477 -4.793 -11.299
131 HG1 THR 15 HG1 THR 15 12.739 -6.296 -10.434
132 HG21 THR 15 3HG2 THR 15 10.915 -2.734 -9.933
133 HG22 THR 15 1HG2 THR 15 12.615 -2.940 -10.353
134 HG23 THR 15 2HG2 THR 15 12.055 -3.334 -8.728
135 H LEU 16 H LEU 16 7.755 -5.246 -10.480
136 HA LEU 16 HA LEU 16 8.064 -7.679 -12.093
137 HB2 LEU 16 HB2 LEU 16 6.223 -7.237 -10.262
138 HB3 LEU 16 HB3 LEU 16 5.423 -6.397 -11.589
139 HG LEU 16 HG LEU 16 6.352 -9.221 -11.938
140 HD11 LEU 16 1HD1 LEU 16 5.090 -9.650 -10.079
141 HD12 LEU 16 2HD1 LEU 16 3.841 -9.692 -11.323
142 HD13 LEU 16 3HD1 LEU 16 4.045 -8.251 -10.327
143 HD21 LEU 16 3HD2 LEU 16 3.857 -8.659 -13.127
144 HD22 LEU 16 1HD2 LEU 16 5.410 -8.917 -13.922
145 HD23 LEU 16 2HD2 LEU 16 4.913 -7.287 -13.466
Start of MODEL 8
1 H1 LEU 1 H LEU 1 0.321 2.347 -0.538
2 HA LEU 1 HA LEU 1 2.720 2.414 -2.230
3 HB2 LEU 1 HB2 LEU 1 3.012 3.088 0.278
4 HB3 LEU 1 HB3 LEU 1 2.886 1.353 0.557
5 HG LEU 1 HG LEU 1 5.213 2.103 0.475
6 HD11 LEU 1 1HD1 LEU 1 5.980 0.299 -0.708
7 HD12 LEU 1 2HD1 LEU 1 4.844 0.542 -2.034
8 HD13 LEU 1 3HD1 LEU 1 4.285 -0.144 -0.509
9 HD21 LEU 1 3HD2 LEU 1 4.821 2.723 -2.436
10 HD22 LEU 1 1HD2 LEU 1 6.200 3.097 -1.401
11 HD23 LEU 1 2HD2 LEU 1 4.679 3.965 -1.191
12 H VAL 2 H VAL 2 1.612 0.915 -3.574
13 HA VAL 2 HA VAL 2 1.469 -1.800 -2.433
14 HB VAL 2 HB VAL 2 -0.246 -0.667 -4.648
15 HG11 VAL 2 1HG1 VAL 2 0.080 -2.939 -5.153
16 HG12 VAL 2 2HG1 VAL 2 -0.022 -3.417 -3.457
17 HG13 VAL 2 3HG1 VAL 2 -1.468 -2.876 -4.311
18 HG21 VAL 2 3HG2 VAL 2 -0.947 0.200 -2.514
19 HG22 VAL 2 1HG2 VAL 2 -2.098 -1.031 -3.035
20 HG23 VAL 2 2HG2 VAL 2 -0.899 -1.410 -1.798
21 H ARG 3 H ARG 3 2.332 0.206 -5.180
22 HA ARG 3 HA ARG 3 3.040 -1.693 -7.053
23 HB2 ARG 3 HB2 ARG 3 3.150 0.963 -7.037
24 HB3 ARG 3 HB3 ARG 3 4.846 0.651 -6.693
25 HG2 ARG 3 HG2 ARG 3 3.671 -0.863 -8.935
26 HG3 ARG 3 HG3 ARG 3 3.855 0.877 -9.167
27 HD2 ARG 3 HD2 ARG 3 6.179 0.782 -8.864
28 HD3 ARG 3 HD3 ARG 3 6.104 -0.823 -8.138
29 HE ARG 3 HE ARG 3 5.157 -1.207 -10.654
30 HH11 ARG 3 1HH1 ARG 3 8.053 0.214 -9.344
31 HH12 ARG 3 2HH1 ARG 3 9.036 -0.216 -10.704
32 HH21 ARG 3 1HH2 ARG 3 6.441 -1.779 -12.451
33 HH22 ARG 3 2HH2 ARG 3 8.118 -1.349 -12.471
34 H TYR 4 H TYR 4 4.697 -0.758 -4.131
35 HA TYR 4 HA TYR 4 6.993 -2.442 -4.838
36 HB2 TYR 4 HB2 TYR 4 6.736 -0.681 -2.402
37 HB3 TYR 4 HB3 TYR 4 8.205 -1.348 -3.105
38 HD1 TYR 4 HD2 TYR 4 7.808 -0.699 -5.965
39 HD2 TYR 4 HD1 TYR 4 7.062 1.629 -2.483
40 HE1 TYR 4 HE2 TYR 4 8.116 1.356 -7.280
41 HE2 TYR 4 HE1 TYR 4 7.365 3.691 -3.789
42 HH TYR 4 HH TYR 4 8.172 3.572 -7.248
43 H THR 5 H THR 5 7.899 -3.231 -2.409
44 HA THR 5 HA THR 5 6.335 -5.501 -1.854
45 HB THR 5 HB THR 5 8.788 -5.353 -1.449
46 HG1 THR 5 HG1 THR 5 8.510 -6.940 -0.073
47 HG21 THR 5 3HG2 THR 5 8.112 -3.089 0.022
48 HG22 THR 5 1HG2 THR 5 9.698 -3.854 -0.066
49 HG23 THR 5 2HG2 THR 5 8.584 -4.281 1.233
50 H LYS 6 H LYS 6 5.361 -6.099 0.204
51 HA LYS 6 HA LYS 6 3.413 -4.291 1.060
52 HB2 LYS 6 HB2 LYS 6 4.483 -6.769 2.421
53 HB3 LYS 6 HB3 LYS 6 3.035 -5.909 2.928
54 HG2 LYS 6 HG2 LYS 6 3.220 -6.807 0.102
55 HG3 LYS 6 HG3 LYS 6 2.914 -8.014 1.354
56 HD2 LYS 6 HD2 LYS 6 0.766 -7.401 0.829
57 HD3 LYS 6 HD3 LYS 6 1.110 -6.268 2.138
58 HE2 LYS 6 HE2 LYS 6 1.362 -4.476 0.692
59 HE3 LYS 6 HE3 LYS 6 1.704 -5.511 -0.693
60 HZ1 LYS 6 HZ1 LYS 6 -0.943 -5.314 0.637
61 HZ2 LYS 6 HZ2 LYS 6 -0.584 -6.162 -0.782
62 HZ3 LYS 6 HZ3 LYS 6 -0.514 -4.472 -0.766
63 H LYS 7 H LYS 7 6.675 -4.774 2.116
64 HA LYS 7 HA LYS 7 6.267 -3.175 4.526
65 HB2 LYS 7 HB2 LYS 7 7.901 -5.317 4.006
66 HB3 LYS 7 HB3 LYS 7 9.012 -3.963 3.844
67 HG2 LYS 7 HG2 LYS 7 9.201 -4.544 6.075
68 HG3 LYS 7 HG3 LYS 7 8.066 -3.192 6.110
69 HD2 LYS 7 HD2 LYS 7 7.184 -4.871 7.542
70 HD3 LYS 7 HD3 LYS 7 6.210 -4.893 6.071
71 HE2 LYS 7 HE2 LYS 7 7.097 -6.900 5.357
72 HE3 LYS 7 HE3 LYS 7 8.577 -6.698 6.293
73 HZ1 LYS 7 HZ1 LYS 7 6.759 -8.375 7.051
74 HZ2 LYS 7 HZ2 LYS 7 6.024 -7.002 7.711
75 HZ3 LYS 7 HZ3 LYS 7 7.582 -7.443 8.199
76 H VAL 8 H VAL 8 8.317 -1.654 4.910
77 HA VAL 8 HA VAL 8 8.004 0.581 3.324
78 HB VAL 8 HB VAL 8 9.055 0.699 5.514
79 HG11 VAL 8 1HG1 VAL 8 11.259 -0.099 5.964
80 HG12 VAL 8 2HG1 VAL 8 10.341 -1.435 5.266
81 HG13 VAL 8 3HG1 VAL 8 11.502 -0.549 4.277
82 HG21 VAL 8 3HG2 VAL 8 10.963 2.194 4.937
83 HG22 VAL 8 1HG2 VAL 8 10.800 1.676 3.259
84 HG23 VAL 8 2HG2 VAL 8 9.483 2.547 4.044
85 HA PRO 9 HA PRO 9 10.120 -0.442 -0.424
86 HB2 PRO 9 HB2 PRO 9 10.220 2.065 -1.461
87 HB3 PRO 9 HB3 PRO 9 8.741 1.097 -1.429
88 HG2 PRO 9 HG2 PRO 9 9.615 3.283 0.420
89 HG3 PRO 9 HG3 PRO 9 8.015 2.986 -0.284
90 HD2 PRO 9 HD2 PRO 9 8.643 2.286 2.256
91 HD3 PRO 9 HD3 PRO 9 7.497 1.359 1.265
92 H GLN 10 H GLN 10 12.223 -0.875 -0.558
93 HA GLN 10 HA GLN 10 14.149 1.236 0.130
94 HB2 GLN 10 HB2 GLN 10 14.555 -1.676 0.812
95 HB3 GLN 10 HB3 GLN 10 15.580 -0.321 1.264
96 HG2 GLN 10 HG2 GLN 10 13.441 0.543 2.465
97 HG3 GLN 10 HG3 GLN 10 12.935 -1.143 2.363
98 HE21 GLN 10 1HE2 GLN 10 15.033 1.127 3.868
99 HE22 GLN 10 2HE2 GLN 10 15.732 0.048 5.022
100 H VAL 11 H VAL 11 16.480 -0.011 -0.479
101 HA VAL 11 HA VAL 11 16.691 0.230 -3.226
102 HB VAL 11 HB VAL 11 18.858 -0.935 -3.040
103 HG11 VAL 11 1HG1 VAL 11 19.611 1.045 -2.377
104 HG12 VAL 11 2HG1 VAL 11 18.037 1.420 -1.673
105 HG13 VAL 11 3HG1 VAL 11 19.268 0.612 -0.702
106 HG21 VAL 11 3HG2 VAL 11 18.478 -2.687 -1.528
107 HG22 VAL 11 1HG2 VAL 11 19.543 -1.580 -0.663
108 HG23 VAL 11 2HG2 VAL 11 17.817 -1.605 -0.303
109 H SER 12 H SER 12 15.784 -2.535 -1.309
110 HA SER 12 HA SER 12 15.694 -4.192 -3.741
111 HB2 SER 12 HB2 SER 12 15.543 -5.197 -0.897
112 HB3 SER 12 HB3 SER 12 15.858 -6.131 -2.359
113 HG SER 12 HG SER 12 17.745 -5.593 -1.055
114 H THR 13 H THR 13 13.739 -4.071 -4.636
115 HA THR 13 HA THR 13 11.422 -4.793 -3.033
116 HB THR 13 HB THR 13 10.201 -2.828 -4.356
117 HG1 THR 13 HG1 THR 13 12.855 -1.873 -3.929
118 HG21 THR 13 3HG2 THR 13 11.246 -3.180 -1.696
119 HG22 THR 13 1HG2 THR 13 9.752 -2.399 -2.214
120 HG23 THR 13 2HG2 THR 13 11.251 -1.473 -2.139
121 HA PRO 14 HA PRO 14 10.129 -6.885 -6.668
122 HB2 PRO 14 HB2 PRO 14 7.428 -6.639 -6.545
123 HB3 PRO 14 HB3 PRO 14 8.348 -7.685 -5.456
124 HG2 PRO 14 HG2 PRO 14 7.270 -4.933 -4.978
125 HG3 PRO 14 HG3 PRO 14 7.256 -6.343 -3.902
126 HD2 PRO 14 HD2 PRO 14 9.053 -4.334 -3.647
127 HD3 PRO 14 HD3 PRO 14 9.440 -6.018 -3.241
128 H THR 15 H THR 15 10.189 -6.320 -8.745
129 HA THR 15 HA THR 15 9.117 -3.693 -9.522
130 HB THR 15 HB THR 15 11.112 -5.379 -11.044
131 HG1 THR 15 HG1 THR 15 11.950 -4.631 -9.018
132 HG21 THR 15 3HG2 THR 15 11.346 -3.610 -12.507
133 HG22 THR 15 1HG2 THR 15 10.754 -2.427 -11.342
134 HG23 THR 15 2HG2 THR 15 9.624 -3.520 -12.142
135 H LEU 16 H LEU 16 6.990 -4.906 -9.491
136 HA LEU 16 HA LEU 16 6.348 -6.910 -11.320
137 HB2 LEU 16 HB2 LEU 16 4.981 -5.830 -9.384
138 HB3 LEU 16 HB3 LEU 16 4.402 -4.743 -10.644
139 HG LEU 16 HG LEU 16 4.179 -7.714 -10.969
140 HD11 LEU 16 1HD1 LEU 16 3.136 -6.582 -8.771
141 HD12 LEU 16 2HD1 LEU 16 2.369 -7.912 -9.638
142 HD13 LEU 16 3HD1 LEU 16 1.840 -6.254 -9.922
143 HD21 LEU 16 3HD2 LEU 16 3.317 -5.333 -12.377
144 HD22 LEU 16 1HD2 LEU 16 1.968 -6.407 -12.007
145 HD23 LEU 16 2HD2 LEU 16 3.354 -7.014 -12.915
Start of MODEL 9
1 H1 LEU 1 H LEU 1 1.548 -0.781 1.268
2 HA LEU 1 HA LEU 1 1.860 1.319 -0.751
3 HB2 LEU 1 HB2 LEU 1 3.648 1.692 0.829
4 HB3 LEU 1 HB3 LEU 1 4.110 -0.007 0.753
5 HG LEU 1 HG LEU 1 4.493 0.545 -1.790
6 HD11 LEU 1 1HD1 LEU 1 5.599 3.051 -1.355
7 HD12 LEU 1 2HD1 LEU 1 4.001 3.140 -0.614
8 HD13 LEU 1 3HD1 LEU 1 4.162 2.680 -2.309
9 HD21 LEU 1 3HD2 LEU 1 6.102 0.225 0.423
10 HD22 LEU 1 1HD2 LEU 1 6.674 1.738 -0.280
11 HD23 LEU 1 2HD2 LEU 1 6.642 0.269 -1.256
12 H VAL 2 H VAL 2 1.459 0.428 -2.654
13 HA VAL 2 HA VAL 2 2.254 -2.377 -3.096
14 HB VAL 2 HB VAL 2 0.014 -0.884 -4.467
15 HG11 VAL 2 1HG1 VAL 2 -0.449 -3.528 -4.860
16 HG12 VAL 2 2HG1 VAL 2 0.380 -2.478 -6.011
17 HG13 VAL 2 3HG1 VAL 2 1.313 -3.482 -4.901
18 HG21 VAL 2 3HG2 VAL 2 0.024 -2.806 -2.159
19 HG22 VAL 2 1HG2 VAL 2 -0.732 -1.216 -2.269
20 HG23 VAL 2 2HG2 VAL 2 -1.400 -2.575 -3.173
21 H ARG 3 H ARG 3 2.465 0.885 -4.199
22 HA ARG 3 HA ARG 3 3.122 0.620 -6.865
23 HB2 ARG 3 HB2 ARG 3 4.169 2.528 -4.776
24 HB3 ARG 3 HB3 ARG 3 4.576 2.668 -6.481
25 HG2 ARG 3 HG2 ARG 3 2.405 3.228 -7.084
26 HG3 ARG 3 HG3 ARG 3 1.721 2.572 -5.595
27 HD2 ARG 3 HD2 ARG 3 2.769 4.377 -4.320
28 HD3 ARG 3 HD3 ARG 3 3.461 5.027 -5.806
29 HE ARG 3 HE ARG 3 0.622 4.785 -5.957
30 HH11 ARG 3 1HH1 ARG 3 3.209 6.769 -4.736
31 HH12 ARG 3 2HH1 ARG 3 2.268 8.225 -4.738
32 HH21 ARG 3 1HH2 ARG 3 -0.626 6.694 -5.964
33 HH22 ARG 3 2HH2 ARG 3 0.087 8.180 -5.435
34 H TYR 4 H TYR 4 5.163 0.135 -4.028
35 HA TYR 4 HA TYR 4 7.291 -0.865 -5.804
36 HB2 TYR 4 HB2 TYR 4 7.673 0.052 -2.956
37 HB3 TYR 4 HB3 TYR 4 8.909 -0.233 -4.176
38 HD1 TYR 4 HD1 TYR 4 8.709 1.278 -6.328
39 HD2 TYR 4 HD2 TYR 4 6.992 2.225 -2.552
40 HE1 TYR 4 HE1 TYR 4 8.633 3.653 -6.964
41 HE2 TYR 4 HE2 TYR 4 6.911 4.602 -3.178
42 HH TYR 4 HH TYR 4 8.207 5.729 -6.282
43 H THR 5 H THR 5 6.393 -1.303 -2.382
44 HA THR 5 HA THR 5 5.980 -4.140 -2.780
45 HB THR 5 HB THR 5 8.451 -3.937 -2.494
46 HG1 THR 5 HG1 THR 5 8.508 -5.682 -1.155
47 HG21 THR 5 3HG2 THR 5 7.825 -2.062 -0.578
48 HG22 THR 5 1HG2 THR 5 9.408 -2.801 -0.813
49 HG23 THR 5 2HG2 THR 5 8.294 -3.465 0.382
50 H LYS 6 H LYS 6 5.012 -5.179 -0.972
51 HA LYS 6 HA LYS 6 3.117 -3.705 0.400
52 HB2 LYS 6 HB2 LYS 6 4.292 -6.427 0.777
53 HB3 LYS 6 HB3 LYS 6 3.236 -5.784 2.027
54 HG2 LYS 6 HG2 LYS 6 2.306 -5.679 -0.793
55 HG3 LYS 6 HG3 LYS 6 2.300 -7.234 0.043
56 HD2 LYS 6 HD2 LYS 6 0.543 -6.663 1.309
57 HD3 LYS 6 HD3 LYS 6 1.199 -5.059 1.647
58 HE2 LYS 6 HE2 LYS 6 -0.586 -4.410 0.414
59 HE3 LYS 6 HE3 LYS 6 0.526 -4.717 -0.919
60 HZ1 LYS 6 HZ1 LYS 6 -1.749 -6.331 0.008
61 HZ2 LYS 6 HZ2 LYS 6 -0.461 -7.094 -0.778
62 HZ3 LYS 6 HZ3 LYS 6 -1.329 -5.875 -1.566
63 H LYS 7 H LYS 7 6.424 -4.429 1.271
64 HA LYS 7 HA LYS 7 6.078 -3.257 3.923
65 HB2 LYS 7 HB2 LYS 7 8.379 -4.675 2.584
66 HB3 LYS 7 HB3 LYS 7 8.539 -3.879 4.144
67 HG2 LYS 7 HG2 LYS 7 6.273 -5.720 3.970
68 HG3 LYS 7 HG3 LYS 7 7.852 -6.484 3.773
69 HD2 LYS 7 HD2 LYS 7 7.245 -6.499 6.108
70 HD3 LYS 7 HD3 LYS 7 8.597 -5.390 5.866
71 HE2 LYS 7 HE2 LYS 7 7.022 -4.348 7.340
72 HE3 LYS 7 HE3 LYS 7 6.960 -3.516 5.786
73 HZ1 LYS 7 HZ1 LYS 7 4.987 -4.821 5.230
74 HZ2 LYS 7 HZ2 LYS 7 4.746 -3.899 6.628
75 HZ3 LYS 7 HZ3 LYS 7 5.034 -5.561 6.751
76 H VAL 8 H VAL 8 8.301 -1.967 4.494
77 HA VAL 8 HA VAL 8 8.033 0.554 3.392
78 HB VAL 8 HB VAL 8 9.187 0.196 5.501
79 HG11 VAL 8 1HG1 VAL 8 10.566 -1.783 4.115
80 HG12 VAL 8 2HG1 VAL 8 11.780 -0.554 4.476
81 HG13 VAL 8 3HG1 VAL 8 10.835 -1.272 5.781
82 HG21 VAL 8 3HG2 VAL 8 10.886 1.501 3.380
83 HG22 VAL 8 1HG2 VAL 8 9.660 2.268 4.390
84 HG23 VAL 8 2HG2 VAL 8 11.155 1.676 5.114
85 HA PRO 9 HA PRO 9 9.914 0.177 -0.594
86 HB2 PRO 9 HB2 PRO 9 10.115 2.829 -1.137
87 HB3 PRO 9 HB3 PRO 9 8.585 1.947 -1.208
88 HG2 PRO 9 HG2 PRO 9 9.668 3.687 0.974
89 HG3 PRO 9 HG3 PRO 9 8.023 3.611 0.317
90 HD2 PRO 9 HD2 PRO 9 8.723 2.401 2.636
91 HD3 PRO 9 HD3 PRO 9 7.481 1.741 1.552
92 H GLN 10 H GLN 10 11.979 -0.451 -0.720
93 HA GLN 10 HA GLN 10 14.069 1.496 -0.101
94 HB2 GLN 10 HB2 GLN 10 14.279 -1.367 0.824
95 HB3 GLN 10 HB3 GLN 10 15.379 -0.042 1.177
96 HG2 GLN 10 HG2 GLN 10 13.561 1.062 2.447
97 HG3 GLN 10 HG3 GLN 10 12.562 -0.365 2.179
98 HE21 GLN 10 1HE2 GLN 10 15.059 1.047 4.027
99 HE22 GLN 10 2HE2 GLN 10 15.351 -0.290 5.081
100 H VAL 11 H VAL 11 16.290 0.043 -0.615
101 HA VAL 11 HA VAL 11 16.498 0.025 -3.366
102 HB VAL 11 HB VAL 11 18.125 -1.686 -1.481
103 HG11 VAL 11 1HG1 VAL 11 18.888 -2.419 -3.482
104 HG12 VAL 11 2HG1 VAL 11 18.347 -0.975 -4.341
105 HG13 VAL 11 3HG1 VAL 11 19.838 -0.936 -3.399
106 HG21 VAL 11 3HG2 VAL 11 18.759 0.250 -0.567
107 HG22 VAL 11 1HG2 VAL 11 19.590 0.574 -2.089
108 HG23 VAL 11 2HG2 VAL 11 17.961 1.195 -1.824
109 H SER 12 H SER 12 15.521 -2.565 -1.208
110 HA SER 12 HA SER 12 15.427 -4.497 -3.380
111 HB2 SER 12 HB2 SER 12 16.200 -5.210 -1.144
112 HB3 SER 12 HB3 SER 12 14.622 -4.795 -0.475
113 HG SER 12 HG SER 12 14.958 -7.064 -1.059
114 H THR 13 H THR 13 13.591 -5.329 -4.286
115 HA THR 13 HA THR 13 10.971 -4.829 -3.290
116 HB THR 13 HB THR 13 10.538 -3.579 -5.683
117 HG1 THR 13 HG1 THR 13 12.793 -3.279 -6.004
118 HG21 THR 13 3HG2 THR 13 10.558 -2.877 -2.872
119 HG22 THR 13 1HG2 THR 13 9.435 -2.393 -4.142
120 HG23 THR 13 2HG2 THR 13 10.927 -1.486 -3.892
121 HA PRO 14 HA PRO 14 9.992 -8.192 -5.933
122 HB2 PRO 14 HB2 PRO 14 7.409 -7.676 -6.590
123 HB3 PRO 14 HB3 PRO 14 7.902 -8.207 -4.978
124 HG2 PRO 14 HG2 PRO 14 7.291 -5.445 -5.958
125 HG3 PRO 14 HG3 PRO 14 6.817 -6.223 -4.436
126 HD2 PRO 14 HD2 PRO 14 8.882 -4.479 -4.599
127 HD3 PRO 14 HD3 PRO 14 8.866 -5.835 -3.454
128 H THR 15 H THR 15 10.826 -8.434 -7.905
129 HA THR 15 HA THR 15 9.946 -6.596 -10.037
130 HB THR 15 HB THR 15 12.242 -6.105 -9.680
131 HG1 THR 15 HG1 THR 15 11.929 -6.261 -11.854
132 HG21 THR 15 3HG2 THR 15 12.405 -8.919 -9.024
133 HG22 THR 15 1HG2 THR 15 13.499 -7.603 -8.601
134 HG23 THR 15 2HG2 THR 15 13.685 -8.443 -10.140
135 H LEU 16 H LEU 16 8.490 -7.716 -11.183
136 HA LEU 16 HA LEU 16 9.348 -10.204 -12.428
137 HB2 LEU 16 HB2 LEU 16 7.932 -10.514 -10.226
138 HB3 LEU 16 HB3 LEU 16 6.589 -10.160 -11.310
139 HG LEU 16 HG LEU 16 6.904 -12.564 -11.008
140 HD11 LEU 16 1HD1 LEU 16 6.160 -11.473 -13.205
141 HD12 LEU 16 2HD1 LEU 16 6.660 -13.163 -13.247
142 HD13 LEU 16 3HD1 LEU 16 7.762 -11.905 -13.803
143 HD21 LEU 16 3HD2 LEU 16 9.464 -12.237 -10.738
144 HD22 LEU 16 1HD2 LEU 16 9.494 -12.401 -12.494
145 HD23 LEU 16 2HD2 LEU 16 8.854 -13.708 -11.497
Start of MODEL 10
1 H1 LEU 1 H LEU 1 0.213 1.326 -0.558
2 HA LEU 1 HA LEU 1 2.440 2.560 -2.025
3 HB2 LEU 1 HB2 LEU 1 2.718 2.469 0.528
4 HB3 LEU 1 HB3 LEU 1 2.896 0.729 0.307
5 HG LEU 1 HG LEU 1 4.762 1.474 -1.398
6 HD11 LEU 1 1HD1 LEU 1 4.654 3.777 -1.413
7 HD12 LEU 1 2HD1 LEU 1 5.934 3.481 -0.238
8 HD13 LEU 1 3HD1 LEU 1 4.307 3.879 0.313
9 HD21 LEU 1 3HD2 LEU 1 4.981 0.136 0.718
10 HD22 LEU 1 1HD2 LEU 1 5.274 1.656 1.563
11 HD23 LEU 1 2HD2 LEU 1 6.385 1.120 0.302
12 H VAL 2 H VAL 2 0.294 0.646 -2.749
13 HA VAL 2 HA VAL 2 1.250 -1.981 -2.914
14 HB VAL 2 HB VAL 2 -0.571 -0.563 -4.865
15 HG11 VAL 2 1HG1 VAL 2 0.233 -2.600 -5.830
16 HG12 VAL 2 2HG1 VAL 2 -0.074 -3.488 -4.337
17 HG13 VAL 2 3HG1 VAL 2 -1.423 -2.868 -5.289
18 HG21 VAL 2 3HG2 VAL 2 -1.893 -2.333 -3.032
19 HG22 VAL 2 1HG2 VAL 2 -0.962 -1.126 -2.145
20 HG23 VAL 2 2HG2 VAL 2 -2.171 -0.616 -3.323
21 H ARG 3 H ARG 3 2.048 0.857 -4.733
22 HA ARG 3 HA ARG 3 2.977 -0.176 -7.118
23 HB2 ARG 3 HB2 ARG 3 2.916 2.283 -6.110
24 HB3 ARG 3 HB3 ARG 3 4.608 1.930 -5.782
25 HG2 ARG 3 HG2 ARG 3 4.743 2.917 -7.844
26 HG3 ARG 3 HG3 ARG 3 4.650 1.212 -8.288
27 HD2 ARG 3 HD2 ARG 3 3.155 2.415 -9.706
28 HD3 ARG 3 HD3 ARG 3 2.184 1.499 -8.555
29 HE ARG 3 HE ARG 3 1.347 3.473 -7.788
30 HH11 ARG 3 1HH1 ARG 3 4.370 4.104 -9.394
31 HH12 ARG 3 2HH1 ARG 3 4.242 5.825 -9.240
32 HH21 ARG 3 1HH2 ARG 3 1.166 5.737 -7.580
33 HH22 ARG 3 2HH2 ARG 3 2.419 6.753 -8.207
34 H TYR 4 H TYR 4 4.590 -0.055 -3.979
35 HA TYR 4 HA TYR 4 6.863 -1.534 -5.106
36 HB2 TYR 4 HB2 TYR 4 6.705 -0.326 -2.347
37 HB3 TYR 4 HB3 TYR 4 8.143 -0.827 -3.229
38 HD1 TYR 4 HD1 TYR 4 7.646 0.413 -5.870
39 HD2 TYR 4 HD2 TYR 4 7.048 1.949 -1.948
40 HE1 TYR 4 HE1 TYR 4 7.919 2.701 -6.731
41 HE2 TYR 4 HE2 TYR 4 7.318 4.241 -2.797
42 HH TYR 4 HH TYR 4 8.595 4.945 -5.810
43 H THR 5 H THR 5 7.849 -2.846 -2.976
44 HA THR 5 HA THR 5 6.337 -5.185 -2.856
45 HB THR 5 HB THR 5 8.782 -5.044 -2.384
46 HG1 THR 5 HG1 THR 5 7.508 -6.883 -1.744
47 HG21 THR 5 3HG2 THR 5 9.623 -3.857 -0.687
48 HG22 THR 5 1HG2 THR 5 8.485 -4.560 0.460
49 HG23 THR 5 2HG2 THR 5 8.017 -3.155 -0.497
50 H LYS 6 H LYS 6 5.716 -6.220 -0.666
51 HA LYS 6 HA LYS 6 3.685 -4.525 0.504
52 HB2 LYS 6 HB2 LYS 6 3.561 -7.073 -0.128
53 HB3 LYS 6 HB3 LYS 6 4.267 -7.299 1.467
54 HG2 LYS 6 HG2 LYS 6 2.080 -7.416 2.035
55 HG3 LYS 6 HG3 LYS 6 2.289 -5.668 2.152
56 HD2 LYS 6 HD2 LYS 6 1.495 -6.859 -0.465
57 HD3 LYS 6 HD3 LYS 6 0.281 -6.699 0.807
58 HE2 LYS 6 HE2 LYS 6 1.170 -4.259 0.971
59 HE3 LYS 6 HE3 LYS 6 1.803 -4.572 -0.644
60 HZ1 LYS 6 HZ1 LYS 6 -0.756 -5.460 -0.785
61 HZ2 LYS 6 HZ2 LYS 6 -0.206 -3.961 -1.343
62 HZ3 LYS 6 HZ3 LYS 6 -0.897 -4.088 0.195
63 H LYS 7 H LYS 7 5.874 -3.299 1.220
64 HA LYS 7 HA LYS 7 5.852 -3.350 4.037
65 HB2 LYS 7 HB2 LYS 7 7.727 -5.142 2.780
66 HB3 LYS 7 HB3 LYS 7 8.591 -3.893 3.667
67 HG2 LYS 7 HG2 LYS 7 6.424 -5.635 4.822
68 HG3 LYS 7 HG3 LYS 7 8.157 -5.914 5.006
69 HD2 LYS 7 HD2 LYS 7 6.890 -3.314 5.812
70 HD3 LYS 7 HD3 LYS 7 6.920 -4.702 6.903
71 HE2 LYS 7 HE2 LYS 7 9.456 -3.853 5.591
72 HE3 LYS 7 HE3 LYS 7 8.835 -2.890 6.931
73 HZ1 LYS 7 HZ1 LYS 7 9.441 -4.435 8.393
74 HZ2 LYS 7 HZ2 LYS 7 10.359 -5.128 7.154
75 HZ3 LYS 7 HZ3 LYS 7 8.801 -5.703 7.474
76 H VAL 8 H VAL 8 8.053 -2.108 4.799
77 HA VAL 8 HA VAL 8 7.807 0.499 3.936
78 HB VAL 8 HB VAL 8 8.939 -0.064 6.013
79 HG11 VAL 8 1HG1 VAL 8 10.121 -2.074 4.957
80 HG12 VAL 8 2HG1 VAL 8 11.352 -0.918 4.446
81 HG13 VAL 8 3HG1 VAL 8 11.010 -1.142 6.162
82 HG21 VAL 8 3HG2 VAL 8 9.414 2.111 5.118
83 HG22 VAL 8 1HG2 VAL 8 10.904 1.453 5.796
84 HG23 VAL 8 2HG2 VAL 8 10.654 1.452 4.050
85 HA PRO 9 HA PRO 9 9.734 0.516 -0.046
86 HB2 PRO 9 HB2 PRO 9 9.932 3.209 -0.325
87 HB3 PRO 9 HB3 PRO 9 8.405 2.335 -0.500
88 HG2 PRO 9 HG2 PRO 9 9.459 3.856 1.854
89 HG3 PRO 9 HG3 PRO 9 7.822 3.841 1.174
90 HD2 PRO 9 HD2 PRO 9 8.499 2.412 3.372
91 HD3 PRO 9 HD3 PRO 9 7.272 1.859 2.214
92 H GLN 10 H GLN 10 11.802 -0.094 -0.207
93 HA GLN 10 HA GLN 10 13.877 1.783 0.649
94 HB2 GLN 10 HB2 GLN 10 15.166 0.139 1.775
95 HB3 GLN 10 HB3 GLN 10 13.532 0.001 2.410
96 HG2 GLN 10 HG2 GLN 10 13.172 -1.875 0.775
97 HG3 GLN 10 HG3 GLN 10 14.903 -1.810 0.445
98 HE21 GLN 10 1HE2 GLN 10 16.336 -2.059 2.330
99 HE22 GLN 10 2HE2 GLN 10 15.854 -3.145 3.584
100 H VAL 11 H VAL 11 16.106 0.377 -0.012
101 HA VAL 11 HA VAL 11 15.974 0.410 -2.892
102 HB VAL 11 HB VAL 11 18.424 -0.079 -2.758
103 HG11 VAL 11 1HG1 VAL 11 18.241 2.188 -0.946
104 HG12 VAL 11 2HG1 VAL 11 18.776 2.122 -2.627
105 HG13 VAL 11 3HG1 VAL 11 17.058 2.262 -2.252
106 HG21 VAL 11 3HG2 VAL 11 19.513 -0.527 -0.824
107 HG22 VAL 11 1HG2 VAL 11 18.437 0.483 0.142
108 HG23 VAL 11 2HG2 VAL 11 17.929 -1.135 -0.342
109 H SER 12 H SER 12 14.347 -1.547 -2.401
110 HA SER 12 HA SER 12 15.500 -3.815 -3.603
111 HB2 SER 12 HB2 SER 12 15.415 -3.784 -0.643
112 HB3 SER 12 HB3 SER 12 14.823 -5.254 -1.415
113 HG SER 12 HG SER 12 16.797 -5.499 -2.420
114 H THR 13 H THR 13 13.903 -4.657 -4.752
115 HA THR 13 HA THR 13 11.254 -4.971 -3.578
116 HB THR 13 HB THR 13 10.386 -4.089 -5.930
117 HG1 THR 13 HG1 THR 13 11.705 -2.132 -6.368
118 HG21 THR 13 3HG2 THR 13 10.520 -3.067 -3.304
119 HG22 THR 13 1HG2 THR 13 9.379 -2.635 -4.576
120 HG23 THR 13 2HG2 THR 13 10.878 -1.726 -4.390
121 HA PRO 14 HA PRO 14 11.137 -8.702 -5.887
122 HB2 PRO 14 HB2 PRO 14 8.507 -8.895 -6.535
123 HB3 PRO 14 HB3 PRO 14 9.112 -9.138 -4.892
124 HG2 PRO 14 HG2 PRO 14 7.845 -6.712 -6.105
125 HG3 PRO 14 HG3 PRO 14 7.572 -7.438 -4.510
126 HD2 PRO 14 HD2 PRO 14 9.148 -5.265 -4.871
127 HD3 PRO 14 HD3 PRO 14 9.461 -6.473 -3.608
128 H THR 15 H THR 15 11.730 -9.204 -7.897
129 HA THR 15 HA THR 15 11.219 -7.336 -10.056
130 HB THR 15 HB THR 15 12.661 -8.977 -11.377
131 HG1 THR 15 HG1 THR 15 13.764 -10.517 -10.187
132 HG21 THR 15 3HG2 THR 15 14.731 -8.172 -10.365
133 HG22 THR 15 1HG2 THR 15 13.856 -7.721 -8.903
134 HG23 THR 15 2HG2 THR 15 13.527 -6.885 -10.421
135 H LEU 16 H LEU 16 9.003 -7.608 -10.446
136 HA LEU 16 HA LEU 16 7.824 -10.150 -10.948
137 HB2 LEU 16 HB2 LEU 16 6.672 -7.992 -10.236
138 HB3 LEU 16 HB3 LEU 16 6.780 -7.508 -11.927
139 HG LEU 16 HG LEU 16 5.463 -10.093 -11.204
140 HD11 LEU 16 1HD1 LEU 16 3.395 -8.300 -11.448
141 HD12 LEU 16 2HD1 LEU 16 4.556 -7.434 -10.443
142 HD13 LEU 16 3HD1 LEU 16 3.969 -9.020 -9.944
143 HD21 LEU 16 3HD2 LEU 16 5.467 -8.169 -13.482
144 HD22 LEU 16 1HD2 LEU 16 4.043 -9.171 -13.202
145 HD23 LEU 16 2HD2 LEU 16 5.610 -9.928 -13.490
Start of MODEL 11
1 H1 LEU 1 H LEU 1 0.909 3.721 -0.464
2 HA LEU 1 HA LEU 1 3.071 2.929 -2.092
3 HB2 LEU 1 HB2 LEU 1 2.972 3.699 0.399
4 HB3 LEU 1 HB3 LEU 1 2.774 1.979 0.724
5 HG LEU 1 HG LEU 1 5.098 2.706 0.986
6 HD11 LEU 1 1HD1 LEU 1 4.597 0.409 0.288
7 HD12 LEU 1 2HD1 LEU 1 6.129 0.981 -0.373
8 HD13 LEU 1 3HD1 LEU 1 4.698 0.907 -1.401
9 HD21 LEU 1 3HD2 LEU 1 5.035 3.290 -1.971
10 HD22 LEU 1 1HD2 LEU 1 6.405 3.471 -0.875
11 HD23 LEU 1 2HD2 LEU 1 4.998 4.522 -0.709
12 H VAL 2 H VAL 2 1.768 1.446 -3.483
13 HA VAL 2 HA VAL 2 1.743 -1.270 -2.336
14 HB VAL 2 HB VAL 2 -0.061 -0.210 -4.516
15 HG11 VAL 2 1HG1 VAL 2 0.115 -2.912 -3.191
16 HG12 VAL 2 2HG1 VAL 2 -1.215 -2.397 -4.231
17 HG13 VAL 2 3HG1 VAL 2 0.417 -2.532 -4.887
18 HG21 VAL 2 3HG2 VAL 2 -1.859 -0.583 -2.832
19 HG22 VAL 2 1HG2 VAL 2 -0.605 -0.869 -1.625
20 HG23 VAL 2 2HG2 VAL 2 -0.736 0.708 -2.405
21 H ARG 3 H ARG 3 2.474 0.754 -5.107
22 HA ARG 3 HA ARG 3 3.175 -1.131 -6.999
23 HB2 ARG 3 HB2 ARG 3 4.551 1.507 -6.457
24 HB3 ARG 3 HB3 ARG 3 4.663 0.581 -7.948
25 HG2 ARG 3 HG2 ARG 3 2.289 0.898 -8.349
26 HG3 ARG 3 HG3 ARG 3 2.138 1.778 -6.827
27 HD2 ARG 3 HD2 ARG 3 3.484 3.561 -7.626
28 HD3 ARG 3 HD3 ARG 3 3.990 2.635 -9.037
29 HE ARG 3 HE ARG 3 1.244 2.841 -9.201
30 HH11 ARG 3 1HH1 ARG 3 3.961 5.016 -9.119
31 HH12 ARG 3 2HH1 ARG 3 3.180 6.235 -10.071
32 HH21 ARG 3 1HH2 ARG 3 0.205 4.438 -10.455
33 HH22 ARG 3 2HH2 ARG 3 1.043 5.905 -10.830
34 H TYR 4 H TYR 4 4.896 -0.134 -4.134
35 HA TYR 4 HA TYR 4 7.244 -1.698 -4.911
36 HB2 TYR 4 HB2 TYR 4 6.911 -0.069 -2.394
37 HB3 TYR 4 HB3 TYR 4 8.409 -0.624 -3.133
38 HD1 TYR 4 HD2 TYR 4 7.960 0.134 -5.958
39 HD2 TYR 4 HD1 TYR 4 7.113 2.256 -2.369
40 HE1 TYR 4 HE2 TYR 4 8.150 2.262 -7.177
41 HE2 TYR 4 HE1 TYR 4 7.299 4.389 -3.578
42 HH TYR 4 HH TYR 4 7.015 5.131 -6.055
43 H THR 5 H THR 5 8.211 -2.553 -2.530
44 HA THR 5 HA THR 5 6.953 -4.973 -2.097
45 HB THR 5 HB THR 5 8.280 -5.192 -0.058
46 HG1 THR 5 HG1 THR 5 8.909 -2.435 -0.440
47 HG21 THR 5 3HG2 THR 5 10.510 -4.160 -1.204
48 HG22 THR 5 1HG2 THR 5 9.424 -4.217 -2.591
49 HG23 THR 5 2HG2 THR 5 9.771 -5.687 -1.682
50 H LYS 6 H LYS 6 5.692 -5.803 -0.374
51 HA LYS 6 HA LYS 6 3.431 -4.370 0.298
52 HB2 LYS 6 HB2 LYS 6 4.703 -6.688 1.763
53 HB3 LYS 6 HB3 LYS 6 3.073 -6.099 2.066
54 HG2 LYS 6 HG2 LYS 6 4.023 -7.116 -0.602
55 HG3 LYS 6 HG3 LYS 6 3.195 -8.107 0.602
56 HD2 LYS 6 HD2 LYS 6 2.069 -5.582 -0.606
57 HD3 LYS 6 HD3 LYS 6 1.690 -7.214 -1.164
58 HE2 LYS 6 HE2 LYS 6 1.129 -6.053 1.563
59 HE3 LYS 6 HE3 LYS 6 -0.055 -6.438 0.314
60 HZ1 LYS 6 HZ1 LYS 6 -0.207 -8.301 1.575
61 HZ2 LYS 6 HZ2 LYS 6 1.394 -8.225 2.116
62 HZ3 LYS 6 HZ3 LYS 6 1.054 -8.798 0.561
63 H LYS 7 H LYS 7 6.533 -4.457 1.882
64 HA LYS 7 HA LYS 7 5.491 -2.795 4.071
65 HB2 LYS 7 HB2 LYS 7 7.174 -4.979 4.140
66 HB3 LYS 7 HB3 LYS 7 8.293 -3.626 4.248
67 HG2 LYS 7 HG2 LYS 7 7.774 -4.204 6.462
68 HG3 LYS 7 HG3 LYS 7 6.837 -2.747 6.122
69 HD2 LYS 7 HD2 LYS 7 5.371 -4.224 7.248
70 HD3 LYS 7 HD3 LYS 7 4.908 -4.279 5.545
71 HE2 LYS 7 HE2 LYS 7 5.695 -6.411 5.260
72 HE3 LYS 7 HE3 LYS 7 6.906 -6.251 6.531
73 HZ1 LYS 7 HZ1 LYS 7 5.166 -7.746 7.220
74 HZ2 LYS 7 HZ2 LYS 7 3.981 -6.575 6.930
75 HZ3 LYS 7 HZ3 LYS 7 5.109 -6.347 8.170
76 H VAL 8 H VAL 8 7.771 -1.502 4.858
77 HA VAL 8 HA VAL 8 7.821 0.792 3.342
78 HB VAL 8 HB VAL 8 10.102 -0.276 5.011
79 HG11 VAL 8 1HG1 VAL 8 10.717 1.582 3.503
80 HG12 VAL 8 2HG1 VAL 8 9.449 2.565 4.239
81 HG13 VAL 8 3HG1 VAL 8 10.819 2.021 5.208
82 HG21 VAL 8 3HG2 VAL 8 8.798 1.656 6.473
83 HG22 VAL 8 1HG2 VAL 8 7.478 0.780 5.699
84 HG23 VAL 8 2HG2 VAL 8 8.646 -0.087 6.696
85 HA PRO 9 HA PRO 9 10.073 -0.320 -0.299
86 HB2 PRO 9 HB2 PRO 9 10.508 2.196 -1.221
87 HB3 PRO 9 HB3 PRO 9 8.937 1.393 -1.326
88 HG2 PRO 9 HG2 PRO 9 9.906 3.406 0.667
89 HG3 PRO 9 HG3 PRO 9 8.336 3.308 -0.151
90 HD2 PRO 9 HD2 PRO 9 8.709 2.455 2.391
91 HD3 PRO 9 HD3 PRO 9 7.544 1.693 1.290
92 H GLN 10 H GLN 10 12.167 -0.724 -0.703
93 HA GLN 10 HA GLN 10 14.211 1.011 0.486
94 HB2 GLN 10 HB2 GLN 10 14.399 -1.999 0.563
95 HB3 GLN 10 HB3 GLN 10 15.469 -0.836 1.335
96 HG2 GLN 10 HG2 GLN 10 13.607 -0.137 2.792
97 HG3 GLN 10 HG3 GLN 10 12.600 -1.383 2.057
98 HE21 GLN 10 1HE2 GLN 10 14.836 -0.663 4.473
99 HE22 GLN 10 2HE2 GLN 10 15.113 -2.270 5.044
100 H VAL 11 H VAL 11 16.463 -0.288 -0.307
101 HA VAL 11 HA VAL 11 16.645 0.400 -3.037
102 HB VAL 11 HB VAL 11 18.563 -1.317 -1.458
103 HG11 VAL 11 1HG1 VAL 11 19.219 -1.511 -3.674
104 HG12 VAL 11 2HG1 VAL 11 18.735 0.140 -4.067
105 HG13 VAL 11 3HG1 VAL 11 20.184 -0.150 -3.102
106 HG21 VAL 11 3HG2 VAL 11 19.572 1.271 -1.642
107 HG22 VAL 11 1HG2 VAL 11 17.874 1.476 -1.212
108 HG23 VAL 11 2HG2 VAL 11 18.926 0.485 -0.202
109 H SER 12 H SER 12 15.805 -2.534 -1.421
110 HA SER 12 HA SER 12 15.999 -4.028 -3.949
111 HB2 SER 12 HB2 SER 12 16.234 -6.009 -2.728
112 HB3 SER 12 HB3 SER 12 17.138 -4.845 -1.758
113 HG SER 12 HG SER 12 14.758 -6.151 -1.210
114 H THR 13 H THR 13 14.203 -4.634 -4.972
115 HA THR 13 HA THR 13 11.702 -4.955 -3.524
116 HB THR 13 HB THR 13 10.620 -3.532 -5.474
117 HG1 THR 13 HG1 THR 13 13.303 -2.673 -5.338
118 HG21 THR 13 3HG2 THR 13 9.991 -2.364 -3.686
119 HG22 THR 13 1HG2 THR 13 11.552 -1.545 -3.671
120 HG23 THR 13 2HG2 THR 13 11.332 -3.040 -2.762
121 HA PRO 14 HA PRO 14 10.922 -8.092 -6.492
122 HB2 PRO 14 HB2 PRO 14 8.224 -7.961 -6.768
123 HB3 PRO 14 HB3 PRO 14 9.012 -8.590 -5.316
124 HG2 PRO 14 HG2 PRO 14 7.842 -5.879 -5.813
125 HG3 PRO 14 HG3 PRO 14 7.710 -6.909 -4.375
126 HD2 PRO 14 HD2 PRO 14 9.431 -4.823 -4.521
127 HD3 PRO 14 HD3 PRO 14 9.787 -6.291 -3.588
128 H THR 15 H THR 15 11.543 -7.903 -8.550
129 HA THR 15 HA THR 15 10.325 -5.825 -10.230
130 HB THR 15 HB THR 15 12.774 -5.793 -10.137
131 HG1 THR 15 HG1 THR 15 13.091 -5.906 -12.439
132 HG21 THR 15 3HG2 THR 15 12.459 -8.631 -10.403
133 HG22 THR 15 1HG2 THR 15 13.913 -7.705 -10.031
134 HG23 THR 15 2HG2 THR 15 13.475 -8.023 -11.709
135 H LEU 16 H LEU 16 8.717 -8.016 -9.699
136 HA LEU 16 HA LEU 16 8.892 -10.096 -11.587
137 HB2 LEU 16 HB2 LEU 16 6.529 -10.505 -11.064
138 HB3 LEU 16 HB3 LEU 16 7.520 -10.306 -9.620
139 HG LEU 16 HG LEU 16 6.640 -7.818 -9.791
140 HD11 LEU 16 1HD1 LEU 16 4.046 -8.664 -10.496
141 HD12 LEU 16 2HD1 LEU 16 5.124 -9.165 -11.798
142 HD13 LEU 16 3HD1 LEU 16 5.063 -7.473 -11.307
143 HD21 LEU 16 3HD2 LEU 16 6.291 -9.154 -7.854
144 HD22 LEU 16 1HD2 LEU 16 5.144 -10.192 -8.700
145 HD23 LEU 16 2HD2 LEU 16 4.718 -8.519 -8.339
Start of MODEL 12
1 H1 LEU 1 H LEU 1 1.310 1.255 1.480
2 HA LEU 1 HA LEU 1 1.701 2.199 -1.186
3 HB2 LEU 1 HB2 LEU 1 3.330 1.157 0.988
4 HB3 LEU 1 HB3 LEU 1 3.877 0.608 -0.594
5 HG LEU 1 HG LEU 1 3.361 3.513 -0.241
6 HD11 LEU 1 1HD1 LEU 1 5.275 1.985 1.349
7 HD12 LEU 1 2HD1 LEU 1 4.682 3.632 1.557
8 HD13 LEU 1 3HD1 LEU 1 6.000 3.306 0.433
9 HD21 LEU 1 3HD2 LEU 1 4.096 2.329 -2.375
10 HD22 LEU 1 1HD2 LEU 1 5.657 2.117 -1.583
11 HD23 LEU 1 2HD2 LEU 1 5.030 3.740 -1.875
12 H VAL 2 H VAL 2 0.674 1.122 -2.772
13 HA VAL 2 HA VAL 2 1.250 -1.753 -3.032
14 HB VAL 2 HB VAL 2 -1.007 -1.996 -4.120
15 HG11 VAL 2 1HG1 VAL 2 -1.966 -1.336 -1.542
16 HG12 VAL 2 2HG1 VAL 2 -1.498 -2.920 -2.162
17 HG13 VAL 2 3HG1 VAL 2 -0.304 -1.897 -1.361
18 HG21 VAL 2 3HG2 VAL 2 -2.029 0.356 -2.672
19 HG22 VAL 2 1HG2 VAL 2 -1.081 0.703 -4.118
20 HG23 VAL 2 2HG2 VAL 2 -2.513 -0.320 -4.227
21 H ARG 3 H ARG 3 2.504 0.654 -4.199
22 HA ARG 3 HA ARG 3 1.886 0.195 -7.042
23 HB2 ARG 3 HB2 ARG 3 3.245 2.580 -5.774
24 HB3 ARG 3 HB3 ARG 3 2.859 2.397 -7.479
25 HG2 ARG 3 HG2 ARG 3 0.521 2.502 -7.041
26 HG3 ARG 3 HG3 ARG 3 0.789 2.413 -5.299
27 HD2 ARG 3 HD2 ARG 3 2.220 4.571 -5.733
28 HD3 ARG 3 HD3 ARG 3 1.217 4.688 -7.178
29 HE ARG 3 HE ARG 3 -0.498 5.382 -5.851
30 HH11 ARG 3 1HH1 ARG 3 1.795 3.657 -3.879
31 HH12 ARG 3 2HH1 ARG 3 0.964 3.987 -2.395
32 HH21 ARG 3 1HH2 ARG 3 -1.600 5.824 -3.903
33 HH22 ARG 3 2HH2 ARG 3 -0.967 5.219 -2.410
34 H TYR 4 H TYR 4 4.575 0.814 -4.798
35 HA TYR 4 HA TYR 4 6.513 -0.094 -6.751
36 HB2 TYR 4 HB2 TYR 4 7.037 0.568 -3.855
37 HB3 TYR 4 HB3 TYR 4 8.184 0.574 -5.190
38 HD1 TYR 4 HD2 TYR 4 6.746 2.087 -7.246
39 HD2 TYR 4 HD1 TYR 4 6.989 2.748 -3.050
40 HE1 TYR 4 HE2 TYR 4 6.320 4.483 -7.604
41 HE2 TYR 4 HE1 TYR 4 6.563 5.145 -3.397
42 HH TYR 4 HH TYR 4 5.952 6.452 -6.640
43 H THR 5 H THR 5 5.905 -1.017 -3.359
44 HA THR 5 HA THR 5 5.900 -3.826 -4.066
45 HB THR 5 HB THR 5 8.320 -3.286 -3.821
46 HG1 THR 5 HG1 THR 5 8.638 -4.979 -2.147
47 HG21 THR 5 3HG2 THR 5 7.433 -1.813 -1.604
48 HG22 THR 5 1HG2 THR 5 9.098 -2.069 -2.123
49 HG23 THR 5 2HG2 THR 5 8.364 -3.159 -0.947
50 H LYS 6 H LYS 6 5.736 -5.179 -1.968
51 HA LYS 6 HA LYS 6 3.469 -4.270 -0.539
52 HB2 LYS 6 HB2 LYS 6 5.230 -6.662 -0.466
53 HB3 LYS 6 HB3 LYS 6 4.273 -6.333 0.973
54 HG2 LYS 6 HG2 LYS 6 2.897 -7.735 -0.229
55 HG3 LYS 6 HG3 LYS 6 2.294 -6.139 -0.684
56 HD2 LYS 6 HD2 LYS 6 4.455 -7.289 -2.353
57 HD3 LYS 6 HD3 LYS 6 2.862 -8.039 -2.476
58 HE2 LYS 6 HE2 LYS 6 3.065 -5.070 -2.601
59 HE3 LYS 6 HE3 LYS 6 3.544 -6.011 -4.013
60 HZ1 LYS 6 HZ1 LYS 6 0.983 -6.653 -2.760
61 HZ2 LYS 6 HZ2 LYS 6 1.429 -6.698 -4.391
62 HZ3 LYS 6 HZ3 LYS 6 1.076 -5.218 -3.652
63 H LYS 7 H LYS 7 6.818 -4.863 0.529
64 HA LYS 7 HA LYS 7 6.329 -3.562 3.061
65 HB2 LYS 7 HB2 LYS 7 8.840 -4.692 1.815
66 HB3 LYS 7 HB3 LYS 7 8.774 -3.992 3.427
67 HG2 LYS 7 HG2 LYS 7 6.934 -6.225 2.686
68 HG3 LYS 7 HG3 LYS 7 8.608 -6.557 3.137
69 HD2 LYS 7 HD2 LYS 7 6.792 -4.880 4.849
70 HD3 LYS 7 HD3 LYS 7 6.858 -6.638 4.994
71 HE2 LYS 7 HE2 LYS 7 9.410 -6.287 5.208
72 HE3 LYS 7 HE3 LYS 7 8.992 -4.611 5.560
73 HZ1 LYS 7 HZ1 LYS 7 7.965 -6.968 7.047
74 HZ2 LYS 7 HZ2 LYS 7 7.655 -5.346 7.409
75 HZ3 LYS 7 HZ3 LYS 7 9.221 -5.963 7.571
76 H VAL 8 H VAL 8 8.425 -2.077 3.669
77 HA VAL 8 HA VAL 8 7.953 0.403 2.534
78 HB VAL 8 HB VAL 8 9.074 0.168 4.679
79 HG11 VAL 8 1HG1 VAL 8 10.804 -1.187 5.002
80 HG12 VAL 8 2HG1 VAL 8 10.707 -1.653 3.302
81 HG13 VAL 8 3HG1 VAL 8 11.759 -0.325 3.795
82 HG21 VAL 8 3HG2 VAL 8 10.905 1.822 4.331
83 HG22 VAL 8 1HG2 VAL 8 10.704 1.608 2.592
84 HG23 VAL 8 2HG2 VAL 8 9.383 2.267 3.558
85 HA PRO 9 HA PRO 9 9.973 0.161 -1.394
86 HB2 PRO 9 HB2 PRO 9 9.946 2.816 -1.963
87 HB3 PRO 9 HB3 PRO 9 8.505 1.796 -2.066
88 HG2 PRO 9 HG2 PRO 9 9.362 3.649 0.124
89 HG3 PRO 9 HG3 PRO 9 7.750 3.416 -0.577
90 HD2 PRO 9 HD2 PRO 9 8.491 2.297 1.775
91 HD3 PRO 9 HD3 PRO 9 7.347 1.516 0.665
92 H GLN 10 H GLN 10 12.013 -0.510 -0.417
93 HA GLN 10 HA GLN 10 13.980 1.675 -0.441
94 HB2 GLN 10 HB2 GLN 10 13.378 0.729 1.887
95 HB3 GLN 10 HB3 GLN 10 14.274 -0.697 1.382
96 HG2 GLN 10 HG2 GLN 10 16.276 0.609 1.089
97 HG3 GLN 10 HG3 GLN 10 15.397 2.093 1.450
98 HE21 GLN 10 1HE2 GLN 10 14.407 2.224 3.608
99 HE22 GLN 10 2HE2 GLN 10 15.244 1.508 4.938
100 H VAL 11 H VAL 11 14.015 -1.882 -0.165
101 HA VAL 11 HA VAL 11 15.666 -1.974 -2.599
102 HB VAL 11 HB VAL 11 16.157 -3.608 -0.106
103 HG11 VAL 11 1HG1 VAL 11 17.086 -3.819 -2.884
104 HG12 VAL 11 2HG1 VAL 11 18.356 -3.910 -1.662
105 HG13 VAL 11 3HG1 VAL 11 17.003 -5.042 -1.618
106 HG21 VAL 11 3HG2 VAL 11 17.135 -1.667 0.533
107 HG22 VAL 11 1HG2 VAL 11 18.443 -2.261 -0.490
108 HG23 VAL 11 2HG2 VAL 11 17.298 -1.077 -1.120
109 H SER 12 H SER 12 13.727 -3.882 -0.311
110 HA SER 12 HA SER 12 13.361 -6.099 -2.023
111 HB2 SER 12 HB2 SER 12 11.584 -5.167 0.245
112 HB3 SER 12 HB3 SER 12 11.606 -6.782 -0.464
113 HG SER 12 HG SER 12 13.137 -7.218 0.890
114 H THR 13 H THR 13 12.249 -6.198 -3.845
115 HA THR 13 HA THR 13 9.701 -4.790 -4.070
116 HB THR 13 HB THR 13 10.549 -4.271 -6.547
117 HG1 THR 13 HG1 THR 13 12.754 -3.524 -6.375
118 HG21 THR 13 3HG2 THR 13 10.321 -2.776 -4.087
119 HG22 THR 13 1HG2 THR 13 9.928 -2.287 -5.735
120 HG23 THR 13 2HG2 THR 13 11.571 -2.092 -5.125
121 HA PRO 14 HA PRO 14 8.359 -8.380 -6.207
122 HB2 PRO 14 HB2 PRO 14 6.635 -7.351 -8.035
123 HB3 PRO 14 HB3 PRO 14 6.273 -7.421 -6.306
124 HG2 PRO 14 HG2 PRO 14 7.266 -5.119 -7.942
125 HG3 PRO 14 HG3 PRO 14 6.018 -5.140 -6.682
126 HD2 PRO 14 HD2 PRO 14 8.545 -4.286 -6.216
127 HD3 PRO 14 HD3 PRO 14 7.565 -5.091 -4.974
128 H THR 15 H THR 15 8.871 -9.655 -7.932
129 HA THR 15 HA THR 15 10.097 -10.353 -9.726
130 HB THR 15 HB THR 15 9.554 -9.385 -11.814
131 HG1 THR 15 HG1 THR 15 9.122 -7.271 -12.091
132 HG21 THR 15 3HG2 THR 15 7.154 -9.091 -11.716
133 HG22 THR 15 1HG2 THR 15 7.234 -8.739 -9.991
134 HG23 THR 15 2HG2 THR 15 7.632 -10.352 -10.581
135 H LEU 16 H LEU 16 11.613 -8.937 -7.823
136 HA LEU 16 HA LEU 16 13.205 -6.879 -8.781
137 HB2 LEU 16 HB2 LEU 16 14.783 -7.465 -7.089
138 HB3 LEU 16 HB3 LEU 16 13.161 -7.724 -6.451
139 HG LEU 16 HG LEU 16 14.658 -10.035 -7.605
140 HD11 LEU 16 1HD1 LEU 16 15.088 -8.885 -4.852
141 HD12 LEU 16 2HD1 LEU 16 16.287 -9.019 -6.138
142 HD13 LEU 16 3HD1 LEU 16 15.633 -10.475 -5.386
143 HD21 LEU 16 3HD2 LEU 16 12.442 -10.539 -7.019
144 HD22 LEU 16 1HD2 LEU 16 12.536 -9.613 -5.521
145 HD23 LEU 16 2HD2 LEU 16 13.413 -11.135 -5.672
Start of MODEL 13
1 H1 LEU 1 H LEU 1 2.145 0.264 1.442
2 HA LEU 1 HA LEU 1 0.507 1.687 -0.468
3 HB2 LEU 1 HB2 LEU 1 2.474 2.401 -1.816
4 HB3 LEU 1 HB3 LEU 1 2.271 3.271 -0.296
5 HG LEU 1 HG LEU 1 4.009 1.490 0.571
6 HD11 LEU 1 1HD1 LEU 1 4.307 0.099 -1.267
7 HD12 LEU 1 2HD1 LEU 1 5.699 1.178 -1.341
8 HD13 LEU 1 3HD1 LEU 1 4.321 1.445 -2.408
9 HD21 LEU 1 3HD2 LEU 1 5.822 3.070 -0.069
10 HD22 LEU 1 1HD2 LEU 1 4.408 3.853 0.636
11 HD23 LEU 1 2HD2 LEU 1 4.667 3.906 -1.108
12 H VAL 2 H VAL 2 0.591 0.766 -2.597
13 HA VAL 2 HA VAL 2 1.792 -1.927 -2.660
14 HB VAL 2 HB VAL 2 -0.114 -2.608 -4.119
15 HG11 VAL 2 1HG1 VAL 2 -1.839 -2.396 -2.121
16 HG12 VAL 2 2HG1 VAL 2 -0.425 -3.447 -2.020
17 HG13 VAL 2 3HG1 VAL 2 -0.398 -1.855 -1.260
18 HG21 VAL 2 3HG2 VAL 2 -1.861 -1.252 -4.639
19 HG22 VAL 2 1HG2 VAL 2 -1.740 -0.337 -3.136
20 HG23 VAL 2 2HG2 VAL 2 -0.622 -0.009 -4.460
21 H ARG 3 H ARG 3 2.972 0.522 -3.625
22 HA ARG 3 HA ARG 3 2.755 0.314 -6.532
23 HB2 ARG 3 HB2 ARG 3 3.849 2.339 -4.634
24 HB3 ARG 3 HB3 ARG 3 4.533 2.265 -6.252
25 HG2 ARG 3 HG2 ARG 3 1.576 2.462 -5.811
26 HG3 ARG 3 HG3 ARG 3 2.611 3.891 -5.835
27 HD2 ARG 3 HD2 ARG 3 3.385 3.297 -8.075
28 HD3 ARG 3 HD3 ARG 3 2.369 1.856 -8.048
29 HE ARG 3 HE ARG 3 1.538 4.544 -8.586
30 HH11 ARG 3 1HH1 ARG 3 0.516 1.445 -7.374
31 HH12 ARG 3 2HH1 ARG 3 -1.156 1.704 -7.748
32 HH21 ARG 3 1HH2 ARG 3 -0.659 4.898 -9.083
33 HH22 ARG 3 2HH2 ARG 3 -1.823 3.668 -8.721
34 H TYR 4 H TYR 4 5.178 0.053 -3.956
35 HA TYR 4 HA TYR 4 7.036 -1.154 -5.887
36 HB2 TYR 4 HB2 TYR 4 7.695 -0.211 -3.097
37 HB3 TYR 4 HB3 TYR 4 8.817 -0.589 -4.399
38 HD1 TYR 4 HD2 TYR 4 8.769 0.906 -6.476
39 HD2 TYR 4 HD1 TYR 4 6.912 1.975 -2.800
40 HE1 TYR 4 HE2 TYR 4 8.765 3.265 -7.171
41 HE2 TYR 4 HE1 TYR 4 6.902 4.337 -3.485
42 HH TYR 4 HH TYR 4 7.026 5.687 -5.441
43 H THR 5 H THR 5 6.417 -1.530 -2.396
44 HA THR 5 HA THR 5 5.985 -4.387 -2.765
45 HB THR 5 HB THR 5 8.444 -4.118 -2.439
46 HG1 THR 5 HG1 THR 5 7.102 -5.384 -0.263
47 HG21 THR 5 3HG2 THR 5 7.719 -2.231 -0.555
48 HG22 THR 5 1HG2 THR 5 9.333 -2.900 -0.783
49 HG23 THR 5 2HG2 THR 5 8.250 -3.600 0.420
50 H LYS 6 H LYS 6 5.084 -5.431 -0.895
51 HA LYS 6 HA LYS 6 3.074 -4.029 0.377
52 HB2 LYS 6 HB2 LYS 6 4.473 -6.507 1.400
53 HB3 LYS 6 HB3 LYS 6 2.880 -5.946 1.892
54 HG2 LYS 6 HG2 LYS 6 3.574 -6.697 -0.936
55 HG3 LYS 6 HG3 LYS 6 2.892 -7.823 0.239
56 HD2 LYS 6 HD2 LYS 6 1.607 -5.220 -0.582
57 HD3 LYS 6 HD3 LYS 6 1.197 -6.796 -1.263
58 HE2 LYS 6 HE2 LYS 6 0.635 -7.567 1.038
59 HE3 LYS 6 HE3 LYS 6 0.898 -5.919 1.607
60 HZ1 LYS 6 HZ1 LYS 6 -1.369 -6.005 1.255
61 HZ2 LYS 6 HZ2 LYS 6 -1.239 -6.951 -0.141
62 HZ3 LYS 6 HZ3 LYS 6 -0.818 -5.314 -0.187
63 H LYS 7 H LYS 7 6.381 -4.615 1.435
64 HA LYS 7 HA LYS 7 5.898 -3.196 3.940
65 HB2 LYS 7 HB2 LYS 7 7.522 -5.329 3.292
66 HB3 LYS 7 HB3 LYS 7 8.656 -3.987 3.359
67 HG2 LYS 7 HG2 LYS 7 8.740 -4.448 5.543
68 HG3 LYS 7 HG3 LYS 7 7.208 -3.575 5.621
69 HD2 LYS 7 HD2 LYS 7 7.426 -6.548 5.168
70 HD3 LYS 7 HD3 LYS 7 7.206 -5.810 6.757
71 HE2 LYS 7 HE2 LYS 7 5.104 -4.852 6.067
72 HE3 LYS 7 HE3 LYS 7 5.344 -5.419 4.416
73 HZ1 LYS 7 HZ1 LYS 7 5.503 -7.528 6.348
74 HZ2 LYS 7 HZ2 LYS 7 4.576 -7.427 4.937
75 HZ3 LYS 7 HZ3 LYS 7 4.004 -6.744 6.375
76 H VAL 8 H VAL 8 8.246 -1.947 4.429
77 HA VAL 8 HA VAL 8 7.995 0.518 3.201
78 HB VAL 8 HB VAL 8 9.211 0.245 5.290
79 HG11 VAL 8 1HG1 VAL 8 10.284 -1.917 4.689
80 HG12 VAL 8 2HG1 VAL 8 11.418 -1.024 3.673
81 HG13 VAL 8 3HG1 VAL 8 11.391 -0.752 5.416
82 HG21 VAL 8 3HG2 VAL 8 11.192 1.659 4.761
83 HG22 VAL 8 1HG2 VAL 8 10.864 1.397 3.048
84 HG23 VAL 8 2HG2 VAL 8 9.688 2.245 4.052
85 HA PRO 9 HA PRO 9 9.732 -0.119 -0.817
86 HB2 PRO 9 HB2 PRO 9 9.971 2.494 -1.511
87 HB3 PRO 9 HB3 PRO 9 8.421 1.645 -1.484
88 HG2 PRO 9 HG2 PRO 9 9.614 3.476 0.563
89 HG3 PRO 9 HG3 PRO 9 7.947 3.402 -0.036
90 HD2 PRO 9 HD2 PRO 9 8.698 2.304 2.323
91 HD3 PRO 9 HD3 PRO 9 7.407 1.615 1.317
92 H GLN 10 H GLN 10 11.778 -0.751 -1.074
93 HA GLN 10 HA GLN 10 13.924 1.150 -0.467
94 HB2 GLN 10 HB2 GLN 10 13.409 -1.031 1.150
95 HB3 GLN 10 HB3 GLN 10 14.678 -1.618 0.083
96 HG2 GLN 10 HG2 GLN 10 16.237 -0.186 0.912
97 HG3 GLN 10 HG3 GLN 10 15.047 1.045 1.331
98 HE21 GLN 10 1HE2 GLN 10 14.075 1.000 3.315
99 HE22 GLN 10 2HE2 GLN 10 14.561 -0.064 4.587
100 H VAL 11 H VAL 11 16.093 -0.311 -1.183
101 HA VAL 11 HA VAL 11 16.087 -0.174 -3.971
102 HB VAL 11 HB VAL 11 17.969 -1.784 -2.240
103 HG11 VAL 11 1HG1 VAL 11 19.563 -1.310 -4.128
104 HG12 VAL 11 2HG1 VAL 11 18.255 -2.431 -4.509
105 HG13 VAL 11 3HG1 VAL 11 18.174 -0.758 -5.063
106 HG21 VAL 11 3HG2 VAL 11 19.314 0.478 -2.846
107 HG22 VAL 11 1HG2 VAL 11 17.670 1.106 -2.719
108 HG23 VAL 11 2HG2 VAL 11 18.394 0.248 -1.358
109 H SER 12 H SER 12 15.215 -2.760 -1.827
110 HA SER 12 HA SER 12 15.172 -4.703 -4.010
111 HB2 SER 12 HB2 SER 12 14.344 -6.201 -2.015
112 HB3 SER 12 HB3 SER 12 16.047 -5.761 -2.140
113 HG SER 12 HG SER 12 15.791 -4.279 -0.547
114 H THR 13 H THR 13 13.336 -5.561 -4.859
115 HA THR 13 HA THR 13 10.749 -4.930 -3.686
116 HB THR 13 HB THR 13 10.098 -4.301 -6.216
117 HG1 THR 13 HG1 THR 13 11.728 -3.017 -7.111
118 HG21 THR 13 3HG2 THR 13 9.341 -2.632 -4.934
119 HG22 THR 13 1HG2 THR 13 10.890 -1.839 -5.219
120 HG23 THR 13 2HG2 THR 13 10.657 -2.827 -3.776
121 HA PRO 14 HA PRO 14 9.569 -8.840 -5.294
122 HB2 PRO 14 HB2 PRO 14 6.957 -8.441 -5.918
123 HB3 PRO 14 HB3 PRO 14 7.542 -8.546 -4.253
124 HG2 PRO 14 HG2 PRO 14 6.906 -6.120 -5.889
125 HG3 PRO 14 HG3 PRO 14 6.516 -6.459 -4.193
126 HD2 PRO 14 HD2 PRO 14 8.589 -4.878 -4.923
127 HD3 PRO 14 HD3 PRO 14 8.626 -5.886 -3.462
128 H THR 15 H THR 15 8.669 -9.975 -7.198
129 HA THR 15 HA THR 15 8.824 -10.429 -9.430
130 HB THR 15 HB THR 15 7.499 -9.100 -10.869
131 HG1 THR 15 HG1 THR 15 7.859 -7.019 -10.814
132 HG21 THR 15 3HG2 THR 15 5.479 -8.677 -9.587
133 HG22 THR 15 1HG2 THR 15 6.405 -8.667 -8.086
134 HG23 THR 15 2HG2 THR 15 6.251 -10.157 -9.018
135 H LEU 16 H LEU 16 11.229 -9.520 -8.381
136 HA LEU 16 HA LEU 16 12.300 -7.875 -10.578
137 HB2 LEU 16 HB2 LEU 16 12.373 -7.025 -8.140
138 HB3 LEU 16 HB3 LEU 16 13.657 -8.214 -7.929
139 HG LEU 16 HG LEU 16 14.771 -7.017 -9.936
140 HD11 LEU 16 1HD1 LEU 16 14.203 -4.576 -9.957
141 HD12 LEU 16 2HD1 LEU 16 12.746 -4.975 -9.048
142 HD13 LEU 16 3HD1 LEU 16 12.982 -5.633 -10.667
143 HD21 LEU 16 3HD2 LEU 16 14.566 -5.600 -7.282
144 HD22 LEU 16 1HD2 LEU 16 15.892 -5.494 -8.440
145 HD23 LEU 16 2HD2 LEU 16 15.575 -7.012 -7.598
Start of MODEL 14
1 H1 LEU 1 H LEU 1 2.512 -0.570 1.660
2 HA LEU 1 HA LEU 1 2.491 1.165 -0.719
3 HB2 LEU 1 HB2 LEU 1 4.521 0.715 1.080
4 HB3 LEU 1 HB3 LEU 1 4.918 -0.383 -0.240
5 HG LEU 1 HG LEU 1 6.108 1.638 -0.611
6 HD11 LEU 1 1HD1 LEU 1 3.685 1.717 -2.399
7 HD12 LEU 1 2HD1 LEU 1 5.022 0.581 -2.576
8 HD13 LEU 1 3HD1 LEU 1 5.304 2.311 -2.767
9 HD21 LEU 1 3HD2 LEU 1 5.389 3.671 -0.042
10 HD22 LEU 1 1HD2 LEU 1 4.031 2.858 0.735
11 HD23 LEU 1 2HD2 LEU 1 3.869 3.465 -0.913
12 H VAL 2 H VAL 2 1.845 0.231 -2.533
13 HA VAL 2 HA VAL 2 2.252 -2.673 -2.847
14 HB VAL 2 HB VAL 2 -0.137 -2.023 -2.636
15 HG11 VAL 2 1HG1 VAL 2 -1.232 -0.743 -4.339
16 HG12 VAL 2 2HG1 VAL 2 0.125 0.204 -3.726
17 HG13 VAL 2 3HG1 VAL 2 0.256 -0.626 -5.277
18 HG21 VAL 2 3HG2 VAL 2 -0.067 -2.882 -5.427
19 HG22 VAL 2 1HG2 VAL 2 1.020 -3.792 -4.377
20 HG23 VAL 2 2HG2 VAL 2 -0.701 -3.706 -4.002
21 H ARG 3 H ARG 3 2.982 0.404 -4.035
22 HA ARG 3 HA ARG 3 3.208 -0.076 -6.796
23 HB2 ARG 3 HB2 ARG 3 4.386 1.901 -4.893
24 HB3 ARG 3 HB3 ARG 3 5.067 1.782 -6.510
25 HG2 ARG 3 HG2 ARG 3 3.415 3.524 -6.459
26 HG3 ARG 3 HG3 ARG 3 2.824 2.189 -7.450
27 HD2 ARG 3 HD2 ARG 3 1.183 1.638 -5.972
28 HD3 ARG 3 HD3 ARG 3 2.120 2.161 -4.572
29 HE ARG 3 HE ARG 3 0.265 3.727 -6.089
30 HH11 ARG 3 1HH1 ARG 3 3.119 3.855 -4.100
31 HH12 ARG 3 2HH1 ARG 3 2.854 5.491 -3.597
32 HH21 ARG 3 1HH2 ARG 3 -0.095 5.882 -5.434
33 HH22 ARG 3 2HH2 ARG 3 1.025 6.643 -4.356
34 H TYR 4 H TYR 4 5.938 0.241 -4.526
35 HA TYR 4 HA TYR 4 7.650 -1.269 -6.276
36 HB2 TYR 4 HB2 TYR 4 8.284 -0.445 -3.446
37 HB3 TYR 4 HB3 TYR 4 9.406 -0.744 -4.768
38 HD1 TYR 4 HD2 TYR 4 9.707 0.920 -6.543
39 HD2 TYR 4 HD1 TYR 4 7.138 1.665 -3.235
40 HE1 TYR 4 HE2 TYR 4 9.695 3.316 -7.099
41 HE2 TYR 4 HE1 TYR 4 7.118 4.063 -3.782
42 HH TYR 4 HH TYR 4 8.189 5.683 -4.996
43 H THR 5 H THR 5 6.960 -1.719 -2.807
44 HA THR 5 HA THR 5 6.531 -4.572 -3.272
45 HB THR 5 HB THR 5 8.959 -4.280 -2.765
46 HG1 THR 5 HG1 THR 5 7.423 -6.091 -1.968
47 HG21 THR 5 3HG2 THR 5 9.738 -3.441 -0.740
48 HG22 THR 5 1HG2 THR 5 8.170 -3.609 0.048
49 HG23 THR 5 2HG2 THR 5 8.428 -2.331 -1.139
50 H LYS 6 H LYS 6 5.462 -5.651 -1.538
51 HA LYS 6 HA LYS 6 3.381 -4.272 -0.361
52 HB2 LYS 6 HB2 LYS 6 4.658 -6.919 0.122
53 HB3 LYS 6 HB3 LYS 6 3.531 -6.324 1.334
54 HG2 LYS 6 HG2 LYS 6 2.640 -6.202 -1.481
55 HG3 LYS 6 HG3 LYS 6 2.781 -7.804 -0.752
56 HD2 LYS 6 HD2 LYS 6 0.550 -7.061 -0.385
57 HD3 LYS 6 HD3 LYS 6 1.394 -6.944 1.160
58 HE2 LYS 6 HE2 LYS 6 0.027 -4.969 0.773
59 HE3 LYS 6 HE3 LYS 6 1.740 -4.549 0.783
60 HZ1 LYS 6 HZ1 LYS 6 0.148 -5.005 -1.680
61 HZ2 LYS 6 HZ2 LYS 6 1.739 -4.438 -1.592
62 HZ3 LYS 6 HZ3 LYS 6 0.467 -3.479 -1.022
63 H LYS 7 H LYS 7 6.644 -4.723 0.777
64 HA LYS 7 HA LYS 7 6.007 -3.596 3.392
65 HB2 LYS 7 HB2 LYS 7 8.653 -4.548 2.279
66 HB3 LYS 7 HB3 LYS 7 8.346 -4.077 3.945
67 HG2 LYS 7 HG2 LYS 7 6.481 -6.100 3.115
68 HG3 LYS 7 HG3 LYS 7 8.142 -6.627 2.833
69 HD2 LYS 7 HD2 LYS 7 7.516 -7.298 5.044
70 HD3 LYS 7 HD3 LYS 7 8.670 -5.969 5.184
71 HE2 LYS 7 HE2 LYS 7 6.876 -5.626 6.753
72 HE3 LYS 7 HE3 LYS 7 6.770 -4.410 5.482
73 HZ1 LYS 7 HZ1 LYS 7 4.852 -5.272 4.689
74 HZ2 LYS 7 HZ2 LYS 7 4.687 -5.804 6.286
75 HZ3 LYS 7 HZ3 LYS 7 5.247 -6.866 5.094
76 H VAL 8 H VAL 8 8.063 -2.096 4.100
77 HA VAL 8 HA VAL 8 7.602 0.400 3.023
78 HB VAL 8 HB VAL 8 8.717 0.114 5.165
79 HG11 VAL 8 1HG1 VAL 8 11.410 -0.325 4.338
80 HG12 VAL 8 2HG1 VAL 8 10.417 -1.287 5.436
81 HG13 VAL 8 3HG1 VAL 8 10.400 -1.625 3.705
82 HG21 VAL 8 3HG2 VAL 8 9.018 2.245 4.106
83 HG22 VAL 8 1HG2 VAL 8 10.541 1.786 4.869
84 HG23 VAL 8 2HG2 VAL 8 10.344 1.623 3.124
85 HA PRO 9 HA PRO 9 9.639 0.286 -0.902
86 HB2 PRO 9 HB2 PRO 9 9.598 2.956 -1.393
87 HB3 PRO 9 HB3 PRO 9 8.164 1.932 -1.531
88 HG2 PRO 9 HG2 PRO 9 9.002 3.724 0.715
89 HG3 PRO 9 HG3 PRO 9 7.394 3.502 0.001
90 HD2 PRO 9 HD2 PRO 9 8.133 2.320 2.322
91 HD3 PRO 9 HD3 PRO 9 6.997 1.565 1.185
92 H GLN 10 H GLN 10 11.752 -0.279 -0.653
93 HA GLN 10 HA GLN 10 13.638 1.902 -0.131
94 HB2 GLN 10 HB2 GLN 10 13.142 -0.176 1.686
95 HB3 GLN 10 HB3 GLN 10 14.660 -0.595 0.905
96 HG2 GLN 10 HG2 GLN 10 15.763 1.210 1.761
97 HG3 GLN 10 HG3 GLN 10 14.300 2.184 1.887
98 HE21 GLN 10 1HE2 GLN 10 14.110 2.717 3.948
99 HE22 GLN 10 2HE2 GLN 10 14.192 1.626 5.285
100 H VAL 11 H VAL 11 15.995 0.582 -0.391
101 HA VAL 11 HA VAL 11 16.350 0.365 -3.133
102 HB VAL 11 HB VAL 11 18.518 -0.710 -2.633
103 HG11 VAL 11 1HG1 VAL 11 19.497 1.170 -1.657
104 HG12 VAL 11 2HG1 VAL 11 18.010 1.795 -2.374
105 HG13 VAL 11 3HG1 VAL 11 18.093 1.488 -0.639
106 HG21 VAL 11 3HG2 VAL 11 19.063 -0.867 -0.122
107 HG22 VAL 11 1HG2 VAL 11 17.315 -0.924 0.104
108 HG23 VAL 11 2HG2 VAL 11 18.121 -2.166 -0.854
109 H SER 12 H SER 12 15.492 -2.085 -0.780
110 HA SER 12 HA SER 12 15.817 -4.259 -2.658
111 HB2 SER 12 HB2 SER 12 14.408 -4.411 0.005
112 HB3 SER 12 HB3 SER 12 15.226 -5.703 -0.874
113 HG SER 12 HG SER 12 17.112 -5.016 -0.163
114 H THR 13 H THR 13 14.210 -5.391 -3.683
115 HA THR 13 HA THR 13 11.433 -4.956 -3.199
116 HB THR 13 HB THR 13 11.283 -4.165 -5.786
117 HG1 THR 13 HG1 THR 13 12.846 -2.530 -6.087
118 HG21 THR 13 3HG2 THR 13 10.830 -3.032 -3.213
119 HG22 THR 13 1HG2 THR 13 10.043 -2.639 -4.741
120 HG23 THR 13 2HG2 THR 13 11.507 -1.783 -4.258
121 HA PRO 14 HA PRO 14 11.088 -8.792 -5.303
122 HB2 PRO 14 HB2 PRO 14 8.627 -8.609 -6.434
123 HB3 PRO 14 HB3 PRO 14 8.872 -8.814 -4.696
124 HG2 PRO 14 HG2 PRO 14 8.288 -6.320 -6.245
125 HG3 PRO 14 HG3 PRO 14 7.608 -6.862 -4.699
126 HD2 PRO 14 HD2 PRO 14 9.576 -5.009 -4.856
127 HD3 PRO 14 HD3 PRO 14 9.441 -6.145 -3.499
128 H THR 15 H THR 15 10.416 -9.763 -7.502
129 HA THR 15 HA THR 15 11.338 -7.977 -9.659
130 HB THR 15 HB THR 15 12.164 -10.141 -10.756
131 HG1 THR 15 HG1 THR 15 12.522 -11.866 -9.379
132 HG21 THR 15 3HG2 THR 15 14.153 -10.148 -8.930
133 HG22 THR 15 1HG2 THR 15 13.374 -8.616 -8.538
134 HG23 THR 15 2HG2 THR 15 13.970 -8.910 -10.172
135 H LEU 16 H LEU 16 9.076 -7.493 -10.031
136 HA LEU 16 HA LEU 16 7.497 -9.692 -11.152
137 HB2 LEU 16 HB2 LEU 16 6.628 -7.996 -9.413
138 HB3 LEU 16 HB3 LEU 16 6.530 -6.880 -10.774
139 HG LEU 16 HG LEU 16 5.162 -9.542 -10.895
140 HD11 LEU 16 1HD1 LEU 16 4.093 -7.039 -9.600
141 HD12 LEU 16 2HD1 LEU 16 4.409 -8.583 -8.810
142 HD13 LEU 16 3HD1 LEU 16 3.132 -8.457 -10.019
143 HD21 LEU 16 3HD2 LEU 16 4.938 -8.611 -12.953
144 HD22 LEU 16 1HD2 LEU 16 5.101 -6.962 -12.349
145 HD23 LEU 16 2HD2 LEU 16 3.571 -7.821 -12.165
Start of MODEL 15
1 H1 LEU 1 H LEU 1 2.484 -0.120 1.471
2 HA LEU 1 HA LEU 1 0.782 1.771 0.106
3 HB2 LEU 1 HB2 LEU 1 2.742 3.035 -0.815
4 HB3 LEU 1 HB3 LEU 1 2.367 3.341 0.879
5 HG LEU 1 HG LEU 1 4.232 1.458 1.205
6 HD11 LEU 1 1HD1 LEU 1 4.468 2.293 -1.570
7 HD12 LEU 1 2HD1 LEU 1 5.205 0.930 -0.729
8 HD13 LEU 1 3HD1 LEU 1 5.958 2.523 -0.653
9 HD21 LEU 1 3HD2 LEU 1 5.855 3.588 1.037
10 HD22 LEU 1 1HD2 LEU 1 4.716 3.339 2.360
11 HD23 LEU 1 2HD2 LEU 1 4.291 4.404 1.021
12 H VAL 2 H VAL 2 0.401 1.081 -1.902
13 HA VAL 2 HA VAL 2 2.028 -1.120 -2.937
14 HB VAL 2 HB VAL 2 -0.607 -0.092 -3.995
15 HG11 VAL 2 1HG1 VAL 2 1.289 -2.081 -4.897
16 HG12 VAL 2 2HG1 VAL 2 -0.303 -2.785 -4.605
17 HG13 VAL 2 3HG1 VAL 2 -0.129 -1.424 -5.714
18 HG21 VAL 2 3HG2 VAL 2 -1.253 -2.429 -2.858
19 HG22 VAL 2 1HG2 VAL 2 0.044 -1.929 -1.771
20 HG23 VAL 2 2HG2 VAL 2 -1.359 -0.886 -2.009
21 H ARG 3 H ARG 3 3.707 0.638 -3.341
22 HA ARG 3 HA ARG 3 3.215 1.921 -5.947
23 HB2 ARG 3 HB2 ARG 3 4.731 2.773 -3.533
24 HB3 ARG 3 HB3 ARG 3 5.384 3.229 -5.101
25 HG2 ARG 3 HG2 ARG 3 3.557 4.560 -5.618
26 HG3 ARG 3 HG3 ARG 3 2.520 3.765 -4.432
27 HD2 ARG 3 HD2 ARG 3 2.971 5.721 -3.332
28 HD3 ARG 3 HD3 ARG 3 4.291 4.715 -2.736
29 HE ARG 3 HE ARG 3 5.751 6.123 -3.772
30 HH11 ARG 3 1HH1 ARG 3 2.621 6.489 -5.252
31 HH12 ARG 3 2HH1 ARG 3 3.112 7.799 -6.273
32 HH21 ARG 3 1HH2 ARG 3 6.409 7.848 -5.111
33 HH22 ARG 3 2HH2 ARG 3 5.268 8.571 -6.193
34 H TYR 4 H TYR 4 5.591 0.153 -4.010
35 HA TYR 4 HA TYR 4 6.836 -0.754 -6.514
36 HB2 TYR 4 HB2 TYR 4 8.450 -0.193 -4.032
37 HB3 TYR 4 HB3 TYR 4 9.028 -0.462 -5.673
38 HD1 TYR 4 HD2 TYR 4 7.547 1.968 -3.366
39 HD2 TYR 4 HD1 TYR 4 8.985 1.320 -7.317
40 HE1 TYR 4 HE2 TYR 4 7.577 4.397 -3.746
41 HE2 TYR 4 HE1 TYR 4 9.020 3.748 -7.709
42 HH TYR 4 HH TYR 4 8.576 6.027 -5.157
43 H THR 5 H THR 5 7.262 -1.362 -3.027
44 HA THR 5 HA THR 5 6.950 -4.237 -3.589
45 HB THR 5 HB THR 5 8.384 -4.743 -1.773
46 HG1 THR 5 HG1 THR 5 8.821 -3.358 -0.168
47 HG21 THR 5 3HG2 THR 5 9.290 -3.380 -3.938
48 HG22 THR 5 1HG2 THR 5 10.333 -4.095 -2.710
49 HG23 THR 5 2HG2 THR 5 9.921 -2.383 -2.628
50 H LYS 6 H LYS 6 5.875 -5.539 -1.993
51 HA LYS 6 HA LYS 6 3.423 -4.529 -1.144
52 HB2 LYS 6 HB2 LYS 6 4.051 -6.954 -1.491
53 HB3 LYS 6 HB3 LYS 6 4.835 -6.898 0.083
54 HG2 LYS 6 HG2 LYS 6 2.775 -7.778 0.600
55 HG3 LYS 6 HG3 LYS 6 2.527 -6.060 0.919
56 HD2 LYS 6 HD2 LYS 6 1.946 -7.043 -1.820
57 HD3 LYS 6 HD3 LYS 6 0.826 -7.502 -0.536
58 HE2 LYS 6 HE2 LYS 6 1.020 -4.920 0.036
59 HE3 LYS 6 HE3 LYS 6 1.429 -4.825 -1.677
60 HZ1 LYS 6 HZ1 LYS 6 -0.889 -6.443 -1.050
61 HZ2 LYS 6 HZ2 LYS 6 -0.659 -5.314 -2.287
62 HZ3 LYS 6 HZ3 LYS 6 -1.068 -4.791 -0.731
63 H LYS 7 H LYS 7 6.524 -4.427 0.369
64 HA LYS 7 HA LYS 7 5.303 -3.421 2.853
65 HB2 LYS 7 HB2 LYS 7 7.170 -5.414 2.563
66 HB3 LYS 7 HB3 LYS 7 8.176 -4.015 2.915
67 HG2 LYS 7 HG2 LYS 7 7.765 -4.878 5.011
68 HG3 LYS 7 HG3 LYS 7 6.530 -3.624 4.872
69 HD2 LYS 7 HD2 LYS 7 5.470 -5.562 5.761
70 HD3 LYS 7 HD3 LYS 7 4.948 -5.408 4.082
71 HE2 LYS 7 HE2 LYS 7 6.209 -7.215 3.388
72 HE3 LYS 7 HE3 LYS 7 7.331 -7.084 4.741
73 HZ1 LYS 7 HZ1 LYS 7 5.034 -8.687 4.521
74 HZ2 LYS 7 HZ2 LYS 7 4.803 -7.596 5.792
75 HZ3 LYS 7 HZ3 LYS 7 6.152 -8.616 5.790
76 H VAL 8 H VAL 8 7.439 -2.094 3.935
77 HA VAL 8 HA VAL 8 7.273 0.445 2.899
78 HB VAL 8 HB VAL 8 8.174 0.022 5.117
79 HG11 VAL 8 1HG1 VAL 8 10.891 -0.591 4.511
80 HG12 VAL 8 2HG1 VAL 8 9.739 -1.507 5.485
81 HG13 VAL 8 3HG1 VAL 8 9.852 -1.795 3.748
82 HG21 VAL 8 3HG2 VAL 8 8.717 2.153 4.165
83 HG22 VAL 8 1HG2 VAL 8 10.136 1.560 5.028
84 HG23 VAL 8 2HG2 VAL 8 10.071 1.464 3.269
85 HA PRO 9 HA PRO 9 9.631 0.296 -0.840
86 HB2 PRO 9 HB2 PRO 9 9.825 2.974 -1.237
87 HB3 PRO 9 HB3 PRO 9 8.339 2.065 -1.533
88 HG2 PRO 9 HG2 PRO 9 9.105 3.723 0.839
89 HG3 PRO 9 HG3 PRO 9 7.554 3.643 -0.016
90 HD2 PRO 9 HD2 PRO 9 8.001 2.342 2.316
91 HD3 PRO 9 HD3 PRO 9 6.917 1.707 1.061
92 H GLN 10 H GLN 10 11.736 -0.135 -0.952
93 HA GLN 10 HA GLN 10 13.631 1.703 0.335
94 HB2 GLN 10 HB2 GLN 10 13.968 -1.296 0.358
95 HB3 GLN 10 HB3 GLN 10 14.960 -0.101 1.184
96 HG2 GLN 10 HG2 GLN 10 12.835 0.511 2.462
97 HG3 GLN 10 HG3 GLN 10 12.181 -1.003 1.840
98 HE21 GLN 10 1HE2 GLN 10 13.331 -2.967 2.361
99 HE22 GLN 10 2HE2 GLN 10 14.210 -3.070 3.845
100 H VAL 11 H VAL 11 15.981 0.510 -0.388
101 HA VAL 11 HA VAL 11 16.112 1.164 -3.180
102 HB VAL 11 HB VAL 11 18.537 0.574 -2.943
103 HG11 VAL 11 1HG1 VAL 11 18.879 2.411 -1.081
104 HG12 VAL 11 2HG1 VAL 11 18.226 2.824 -2.668
105 HG13 VAL 11 3HG1 VAL 11 17.141 2.618 -1.293
106 HG21 VAL 11 3HG2 VAL 11 18.468 0.539 -0.036
107 HG22 VAL 11 1HG2 VAL 11 17.682 -0.867 -0.754
108 HG23 VAL 11 2HG2 VAL 11 19.357 -0.490 -1.158
109 H SER 12 H SER 12 14.446 -0.775 -3.383
110 HA SER 12 HA SER 12 15.656 -2.723 -4.976
111 HB2 SER 12 HB2 SER 12 15.046 -4.715 -3.412
112 HB3 SER 12 HB3 SER 12 16.567 -3.861 -3.149
113 HG SER 12 HG SER 12 15.844 -3.574 -1.203
114 H THR 13 H THR 13 14.022 -4.726 -5.174
115 HA THR 13 HA THR 13 11.278 -4.187 -4.657
116 HB THR 13 HB THR 13 10.953 -4.206 -7.361
117 HG1 THR 13 HG1 THR 13 12.580 -3.249 -8.327
118 HG21 THR 13 3HG2 THR 13 9.684 -2.485 -6.743
119 HG22 THR 13 1HG2 THR 13 11.120 -1.478 -6.569
120 HG23 THR 13 2HG2 THR 13 10.529 -2.415 -5.197
121 HA PRO 14 HA PRO 14 10.919 -8.477 -5.510
122 HB2 PRO 14 HB2 PRO 14 8.378 -8.665 -6.448
123 HB3 PRO 14 HB3 PRO 14 8.754 -8.345 -4.750
124 HG2 PRO 14 HG2 PRO 14 7.974 -6.426 -6.912
125 HG3 PRO 14 HG3 PRO 14 7.426 -6.497 -5.227
126 HD2 PRO 14 HD2 PRO 14 9.313 -4.749 -6.074
127 HD3 PRO 14 HD3 PRO 14 9.314 -5.436 -4.437
128 H THR 15 H THR 15 10.558 -10.094 -7.193
129 HA THR 15 HA THR 15 10.827 -8.996 -9.915
130 HB THR 15 HB THR 15 12.175 -11.549 -9.070
131 HG1 THR 15 HG1 THR 15 13.323 -10.237 -7.818
132 HG21 THR 15 3HG2 THR 15 13.647 -10.170 -11.004
133 HG22 THR 15 1HG2 THR 15 11.962 -9.983 -11.486
134 HG23 THR 15 2HG2 THR 15 12.639 -11.594 -11.252
135 H LEU 16 H LEU 16 8.409 -9.870 -8.634
136 HA LEU 16 HA LEU 16 7.713 -12.508 -9.346
137 HB2 LEU 16 HB2 LEU 16 6.234 -10.044 -8.592
138 HB3 LEU 16 HB3 LEU 16 5.327 -11.352 -9.349
139 HG LEU 16 HG LEU 16 5.210 -11.377 -6.882
140 HD11 LEU 16 1HD1 LEU 16 5.056 -13.611 -6.882
141 HD12 LEU 16 2HD1 LEU 16 6.727 -13.828 -7.401
142 HD13 LEU 16 3HD1 LEU 16 5.473 -13.476 -8.590
143 HD21 LEU 16 3HD2 LEU 16 7.630 -10.539 -6.677
144 HD22 LEU 16 1HD2 LEU 16 8.084 -12.233 -6.867
145 HD23 LEU 16 2HD2 LEU 16 7.063 -11.740 -5.515
Start of MODEL 16
1 H1 LEU 1 H LEU 1 3.682 2.769 1.757
2 HA LEU 1 HA LEU 1 3.077 3.617 -0.647
3 HB2 LEU 1 HB2 LEU 1 5.200 2.575 -0.209
4 HB3 LEU 1 HB3 LEU 1 4.443 0.988 -0.099
5 HG LEU 1 HG LEU 1 3.758 1.694 -2.621
6 HD11 LEU 1 1HD1 LEU 1 6.234 3.185 -1.898
7 HD12 LEU 1 2HD1 LEU 1 4.900 3.655 -2.950
8 HD13 LEU 1 3HD1 LEU 1 6.091 2.481 -3.509
9 HD21 LEU 1 3HD2 LEU 1 5.760 0.009 -1.345
10 HD22 LEU 1 1HD2 LEU 1 6.204 0.490 -2.982
11 HD23 LEU 1 2HD2 LEU 1 4.675 -0.340 -2.692
12 H VAL 2 H VAL 2 2.678 0.106 -0.239
13 HA VAL 2 HA VAL 2 1.217 -1.368 -1.183
14 HB VAL 2 HB VAL 2 -0.806 0.854 -0.901
15 HG11 VAL 2 1HG1 VAL 2 -2.133 -1.383 -0.294
16 HG12 VAL 2 2HG1 VAL 2 -1.998 -0.771 -1.944
17 HG13 VAL 2 3HG1 VAL 2 -0.931 -2.062 -1.391
18 HG21 VAL 2 3HG2 VAL 2 -0.028 0.812 1.247
19 HG22 VAL 2 1HG2 VAL 2 -1.192 -0.510 1.331
20 HG23 VAL 2 2HG2 VAL 2 0.525 -0.859 1.133
21 H ARG 3 H ARG 3 2.620 -0.721 -3.167
22 HA ARG 3 HA ARG 3 0.792 -0.408 -5.381
23 HB2 ARG 3 HB2 ARG 3 2.890 1.644 -4.738
24 HB3 ARG 3 HB3 ARG 3 2.384 1.365 -6.399
25 HG2 ARG 3 HG2 ARG 3 -0.007 1.719 -5.470
26 HG3 ARG 3 HG3 ARG 3 0.823 2.477 -4.110
27 HD2 ARG 3 HD2 ARG 3 1.814 4.113 -5.516
28 HD3 ARG 3 HD3 ARG 3 1.322 3.252 -6.974
29 HE ARG 3 HE ARG 3 -0.745 4.225 -6.812
30 HH11 ARG 3 1HH1 ARG 3 0.951 4.624 -3.798
31 HH12 ARG 3 2HH1 ARG 3 -0.229 5.700 -3.126
32 HH21 ARG 3 1HH2 ARG 3 -2.306 5.641 -5.938
33 HH22 ARG 3 2HH2 ARG 3 -2.082 6.277 -4.344
34 H TYR 4 H TYR 4 4.272 -0.336 -4.600
35 HA TYR 4 HA TYR 4 4.782 -2.106 -6.874
36 HB2 TYR 4 HB2 TYR 4 6.854 -0.833 -5.091
37 HB3 TYR 4 HB3 TYR 4 7.066 -1.470 -6.718
38 HD1 TYR 4 HD2 TYR 4 5.227 -0.283 -8.417
39 HD2 TYR 4 HD1 TYR 4 7.007 1.456 -4.966
40 HE1 TYR 4 HE2 TYR 4 4.831 1.958 -9.349
41 HE2 TYR 4 HE1 TYR 4 6.615 3.702 -5.888
42 HH TYR 4 HH TYR 4 6.277 4.748 -8.107
43 H THR 5 H THR 5 6.151 -1.858 -3.591
44 HA THR 5 HA THR 5 6.200 -4.797 -3.483
45 HB THR 5 HB THR 5 7.729 -2.961 -1.646
46 HG1 THR 5 HG1 THR 5 8.621 -2.428 -3.556
47 HG21 THR 5 3HG2 THR 5 9.218 -5.191 -1.958
48 HG22 THR 5 1HG2 THR 5 7.602 -5.863 -2.171
49 HG23 THR 5 2HG2 THR 5 8.008 -4.994 -0.691
50 H LYS 6 H LYS 6 5.716 -5.832 -1.442
51 HA LYS 6 HA LYS 6 3.284 -5.056 -0.334
52 HB2 LYS 6 HB2 LYS 6 5.345 -7.077 0.267
53 HB3 LYS 6 HB3 LYS 6 4.334 -6.623 1.632
54 HG2 LYS 6 HG2 LYS 6 3.191 -7.452 -1.018
55 HG3 LYS 6 HG3 LYS 6 3.570 -8.604 0.265
56 HD2 LYS 6 HD2 LYS 6 1.763 -8.030 1.462
57 HD3 LYS 6 HD3 LYS 6 2.016 -6.306 1.182
58 HE2 LYS 6 HE2 LYS 6 0.008 -6.694 0.102
59 HE3 LYS 6 HE3 LYS 6 1.174 -6.827 -1.213
60 HZ1 LYS 6 HZ1 LYS 6 -0.019 -8.709 -1.562
61 HZ2 LYS 6 HZ2 LYS 6 -0.429 -8.909 0.067
62 HZ3 LYS 6 HZ3 LYS 6 1.115 -9.338 -0.475
63 H LYS 7 H LYS 7 6.535 -4.176 0.527
64 HA LYS 7 HA LYS 7 5.474 -2.580 2.767
65 HB2 LYS 7 HB2 LYS 7 7.336 -4.578 2.972
66 HB3 LYS 7 HB3 LYS 7 8.357 -3.156 2.803
67 HG2 LYS 7 HG2 LYS 7 8.105 -3.337 5.089
68 HG3 LYS 7 HG3 LYS 7 6.871 -2.151 4.659
69 HD2 LYS 7 HD2 LYS 7 5.863 -3.689 6.167
70 HD3 LYS 7 HD3 LYS 7 5.227 -4.053 4.561
71 HE2 LYS 7 HE2 LYS 7 6.377 -6.034 4.408
72 HE3 LYS 7 HE3 LYS 7 7.655 -5.501 5.499
73 HZ1 LYS 7 HZ1 LYS 7 6.629 -6.637 7.081
74 HZ2 LYS 7 HZ2 LYS 7 5.298 -6.961 6.089
75 HZ3 LYS 7 HZ3 LYS 7 5.345 -5.539 7.004
76 H VAL 8 H VAL 8 7.605 -0.973 3.281
77 HA VAL 8 HA VAL 8 7.383 1.012 1.290
78 HB VAL 8 HB VAL 8 7.838 1.602 3.605
79 HG11 VAL 8 1HG1 VAL 8 9.639 -0.474 3.558
80 HG12 VAL 8 2HG1 VAL 8 10.678 0.952 3.600
81 HG13 VAL 8 3HG1 VAL 8 9.461 0.709 4.854
82 HG21 VAL 8 3HG2 VAL 8 10.030 2.383 1.687
83 HG22 VAL 8 1HG2 VAL 8 8.502 3.218 1.961
84 HG23 VAL 8 2HG2 VAL 8 9.727 3.183 3.229
85 HA PRO 9 HA PRO 9 10.437 -0.370 -1.596
86 HB2 PRO 9 HB2 PRO 9 10.626 1.928 -3.028
87 HB3 PRO 9 HB3 PRO 9 9.256 0.820 -3.166
88 HG2 PRO 9 HG2 PRO 9 9.487 3.363 -1.603
89 HG3 PRO 9 HG3 PRO 9 8.139 2.779 -2.596
90 HD2 PRO 9 HD2 PRO 9 8.153 2.578 0.105
91 HD3 PRO 9 HD3 PRO 9 7.359 1.380 -0.938
92 H GLN 10 H GLN 10 12.368 -0.649 -0.573
93 HA GLN 10 HA GLN 10 13.993 1.767 -0.117
94 HB2 GLN 10 HB2 GLN 10 13.433 0.688 1.997
95 HB3 GLN 10 HB3 GLN 10 14.050 -0.847 1.401
96 HG2 GLN 10 HG2 GLN 10 16.283 0.337 1.133
97 HG3 GLN 10 HG3 GLN 10 15.583 1.632 2.102
98 HE21 GLN 10 1HE2 GLN 10 17.837 0.064 2.801
99 HE22 GLN 10 2HE2 GLN 10 17.442 -0.814 4.236
100 H VAL 11 H VAL 11 14.745 -1.707 -0.196
101 HA VAL 11 HA VAL 11 16.556 -1.194 -2.461
102 HB VAL 11 HB VAL 11 18.064 -2.972 -1.409
103 HG11 VAL 11 1HG1 VAL 11 18.359 -0.405 -1.488
104 HG12 VAL 11 2HG1 VAL 11 17.975 -0.470 0.234
105 HG13 VAL 11 3HG1 VAL 11 19.372 -1.346 -0.394
106 HG21 VAL 11 3HG2 VAL 11 17.953 -3.144 1.039
107 HG22 VAL 11 1HG2 VAL 11 16.468 -2.193 1.030
108 HG23 VAL 11 2HG2 VAL 11 16.501 -3.785 0.270
109 H SER 12 H SER 12 14.666 -3.554 -0.640
110 HA SER 12 HA SER 12 14.898 -5.508 -2.788
111 HB2 SER 12 HB2 SER 12 13.528 -5.619 -0.092
112 HB3 SER 12 HB3 SER 12 13.528 -6.946 -1.254
113 HG SER 12 HG SER 12 15.652 -7.245 -0.941
114 H THR 13 H THR 13 13.306 -6.043 -4.189
115 HA THR 13 HA THR 13 10.605 -5.039 -3.809
116 HB THR 13 HB THR 13 10.752 -4.220 -6.314
117 HG1 THR 13 HG1 THR 13 12.740 -4.091 -7.006
118 HG21 THR 13 3HG2 THR 13 10.841 -2.964 -3.776
119 HG22 THR 13 1HG2 THR 13 10.244 -2.304 -5.298
120 HG23 THR 13 2HG2 THR 13 11.933 -2.080 -4.843
121 HA PRO 14 HA PRO 14 9.448 -8.704 -5.928
122 HB2 PRO 14 HB2 PRO 14 7.215 -7.915 -7.254
123 HB3 PRO 14 HB3 PRO 14 7.262 -8.140 -5.502
124 HG2 PRO 14 HG2 PRO 14 7.467 -5.613 -7.094
125 HG3 PRO 14 HG3 PRO 14 6.552 -5.928 -5.608
126 HD2 PRO 14 HD2 PRO 14 8.939 -4.650 -5.605
127 HD3 PRO 14 HD3 PRO 14 8.408 -5.685 -4.263
128 H THR 15 H THR 15 9.159 -9.705 -8.030
129 HA THR 15 HA THR 15 9.936 -10.122 -10.135
130 HB THR 15 HB THR 15 9.166 -8.683 -11.846
131 HG1 THR 15 HG1 THR 15 8.600 -6.472 -11.354
132 HG21 THR 15 3HG2 THR 15 7.180 -7.869 -9.796
133 HG22 THR 15 1HG2 THR 15 7.476 -9.595 -9.999
134 HG23 THR 15 2HG2 THR 15 6.936 -8.625 -11.370
135 H LEU 16 H LEU 16 11.973 -9.389 -8.397
136 HA LEU 16 HA LEU 16 13.843 -8.140 -10.272
137 HB2 LEU 16 HB2 LEU 16 12.993 -6.497 -8.526
138 HB3 LEU 16 HB3 LEU 16 13.868 -7.467 -7.343
139 HG LEU 16 HG LEU 16 15.338 -6.389 -9.705
140 HD11 LEU 16 1HD1 LEU 16 13.933 -4.550 -8.654
141 HD12 LEU 16 2HD1 LEU 16 15.673 -4.277 -8.738
142 HD13 LEU 16 3HD1 LEU 16 14.930 -4.762 -7.214
143 HD21 LEU 16 3HD2 LEU 16 16.034 -7.900 -7.521
144 HD22 LEU 16 1HD2 LEU 16 16.517 -6.272 -7.042
145 HD23 LEU 16 2HD2 LEU 16 17.146 -6.976 -8.532
Start of MODEL 17
1 H1 LEU 1 H LEU 1 3.897 1.643 2.154
2 HA LEU 1 HA LEU 1 2.806 2.376 -0.483
3 HB2 LEU 1 HB2 LEU 1 5.176 3.109 0.193
4 HB3 LEU 1 HB3 LEU 1 5.607 1.412 -0.009
5 HG LEU 1 HG LEU 1 4.212 2.627 -2.298
6 HD11 LEU 1 1HD1 LEU 1 6.654 3.501 -2.921
7 HD12 LEU 1 2HD1 LEU 1 6.695 3.781 -1.181
8 HD13 LEU 1 3HD1 LEU 1 5.435 4.527 -2.163
9 HD21 LEU 1 3HD2 LEU 1 5.329 1.046 -3.441
10 HD22 LEU 1 1HD2 LEU 1 5.589 0.337 -1.847
11 HD23 LEU 1 2HD2 LEU 1 6.840 1.343 -2.579
12 H VAL 2 H VAL 2 1.668 0.763 -1.320
13 HA VAL 2 HA VAL 2 2.615 -1.997 -0.891
14 HB VAL 2 HB VAL 2 -0.213 -1.100 -1.462
15 HG11 VAL 2 1HG1 VAL 2 -0.428 -3.216 -2.157
16 HG12 VAL 2 2HG1 VAL 2 1.124 -3.696 -1.467
17 HG13 VAL 2 3HG1 VAL 2 -0.317 -3.644 -0.450
18 HG21 VAL 2 3HG2 VAL 2 0.419 -0.420 0.763
19 HG22 VAL 2 1HG2 VAL 2 -0.656 -1.814 0.870
20 HG23 VAL 2 2HG2 VAL 2 1.080 -2.019 1.104
21 H ARG 3 H ARG 3 1.786 0.430 -3.191
22 HA ARG 3 HA ARG 3 1.150 -1.014 -5.455
23 HB2 ARG 3 HB2 ARG 3 2.829 1.489 -5.226
24 HB3 ARG 3 HB3 ARG 3 2.170 0.870 -6.734
25 HG2 ARG 3 HG2 ARG 3 0.010 1.436 -6.183
26 HG3 ARG 3 HG3 ARG 3 0.336 1.414 -4.448
27 HD2 ARG 3 HD2 ARG 3 1.831 3.426 -4.858
28 HD3 ARG 3 HD3 ARG 3 1.109 3.506 -6.464
29 HE ARG 3 HE ARG 3 -0.926 3.410 -4.522
30 HH11 ARG 3 1HH1 ARG 3 1.531 5.545 -5.758
31 HH12 ARG 3 2HH1 ARG 3 0.665 6.989 -5.351
32 HH21 ARG 3 1HH2 ARG 3 -2.076 5.304 -3.981
33 HH22 ARG 3 2HH2 ARG 3 -1.386 6.851 -4.340
34 H TYR 4 H TYR 4 4.412 0.330 -5.009
35 HA TYR 4 HA TYR 4 5.642 -1.409 -6.823
36 HB2 TYR 4 HB2 TYR 4 7.023 -0.100 -4.480
37 HB3 TYR 4 HB3 TYR 4 7.726 -0.551 -6.029
38 HD1 TYR 4 HD2 TYR 4 5.697 0.517 -7.901
39 HD2 TYR 4 HD1 TYR 4 7.343 2.210 -4.362
40 HE1 TYR 4 HE2 TYR 4 5.235 2.771 -8.771
41 HE2 TYR 4 HE1 TYR 4 6.884 4.468 -5.221
42 HH TYR 4 HH TYR 4 4.867 5.061 -7.844
43 H THR 5 H THR 5 6.191 -1.413 -3.301
44 HA THR 5 HA THR 5 6.370 -4.354 -3.429
45 HB THR 5 HB THR 5 7.899 -2.651 -1.464
46 HG1 THR 5 HG1 THR 5 8.444 -2.367 -3.816
47 HG21 THR 5 3HG2 THR 5 7.972 -4.758 -0.585
48 HG22 THR 5 1HG2 THR 5 9.327 -4.884 -1.705
49 HG23 THR 5 2HG2 THR 5 7.750 -5.539 -2.150
50 H LYS 6 H LYS 6 5.750 -5.502 -1.507
51 HA LYS 6 HA LYS 6 3.319 -4.742 -0.426
52 HB2 LYS 6 HB2 LYS 6 4.004 -7.039 -0.344
53 HB3 LYS 6 HB3 LYS 6 5.413 -6.643 0.631
54 HG2 LYS 6 HG2 LYS 6 3.691 -7.679 1.983
55 HG3 LYS 6 HG3 LYS 6 3.955 -6.008 2.486
56 HD2 LYS 6 HD2 LYS 6 1.599 -6.381 2.443
57 HD3 LYS 6 HD3 LYS 6 1.998 -5.365 1.056
58 HE2 LYS 6 HE2 LYS 6 0.448 -7.051 0.345
59 HE3 LYS 6 HE3 LYS 6 2.025 -7.410 -0.357
60 HZ1 LYS 6 HZ1 LYS 6 2.375 -9.137 1.187
61 HZ2 LYS 6 HZ2 LYS 6 0.798 -9.350 0.614
62 HZ3 LYS 6 HZ3 LYS 6 1.058 -8.673 2.142
63 H LYS 7 H LYS 7 6.542 -3.926 0.589
64 HA LYS 7 HA LYS 7 5.405 -2.388 2.832
65 HB2 LYS 7 HB2 LYS 7 7.228 -4.449 3.043
66 HB3 LYS 7 HB3 LYS 7 8.254 -3.020 3.057
67 HG2 LYS 7 HG2 LYS 7 7.786 -3.439 5.303
68 HG3 LYS 7 HG3 LYS 7 6.695 -2.123 4.862
69 HD2 LYS 7 HD2 LYS 7 5.376 -3.635 6.093
70 HD3 LYS 7 HD3 LYS 7 4.958 -3.927 4.403
71 HE2 LYS 7 HE2 LYS 7 5.222 -6.068 5.278
72 HE3 LYS 7 HE3 LYS 7 6.767 -5.752 4.489
73 HZ1 LYS 7 HZ1 LYS 7 7.397 -4.890 6.855
74 HZ2 LYS 7 HZ2 LYS 7 7.459 -6.542 6.499
75 HZ3 LYS 7 HZ3 LYS 7 6.140 -5.910 7.349
76 H VAL 8 H VAL 8 7.553 -0.872 3.523
77 HA VAL 8 HA VAL 8 7.518 1.177 1.583
78 HB VAL 8 HB VAL 8 7.838 1.681 3.942
79 HG11 VAL 8 1HG1 VAL 8 10.634 0.612 3.788
80 HG12 VAL 8 2HG1 VAL 8 9.680 1.030 5.213
81 HG13 VAL 8 3HG1 VAL 8 9.290 -0.417 4.282
82 HG21 VAL 8 3HG2 VAL 8 9.781 3.224 3.732
83 HG22 VAL 8 1HG2 VAL 8 10.164 2.460 2.189
84 HG23 VAL 8 2HG2 VAL 8 8.642 3.328 2.390
85 HA PRO 9 HA PRO 9 10.711 -0.225 -1.139
86 HB2 PRO 9 HB2 PRO 9 11.060 2.103 -2.491
87 HB3 PRO 9 HB3 PRO 9 9.670 1.042 -2.748
88 HG2 PRO 9 HG2 PRO 9 9.872 3.535 -1.103
89 HG3 PRO 9 HG3 PRO 9 8.576 3.018 -2.196
90 HD2 PRO 9 HD2 PRO 9 8.408 2.747 0.493
91 HD3 PRO 9 HD3 PRO 9 7.649 1.602 -0.632
92 H GLN 10 H GLN 10 12.603 -0.589 -0.103
93 HA GLN 10 HA GLN 10 14.266 1.761 0.520
94 HB2 GLN 10 HB2 GLN 10 13.508 0.721 2.597
95 HB3 GLN 10 HB3 GLN 10 14.115 -0.839 2.056
96 HG2 GLN 10 HG2 GLN 10 16.399 0.293 1.933
97 HG3 GLN 10 HG3 GLN 10 15.665 1.589 2.876
98 HE21 GLN 10 1HE2 GLN 10 17.705 -0.708 3.308
99 HE22 GLN 10 2HE2 GLN 10 17.244 -1.342 4.848
100 H VAL 11 H VAL 11 14.870 -1.743 0.518
101 HA VAL 11 HA VAL 11 16.859 -1.328 -1.614
102 HB VAL 11 HB VAL 11 18.202 -3.168 -0.452
103 HG11 VAL 11 1HG1 VAL 11 19.455 -1.596 0.793
104 HG12 VAL 11 2HG1 VAL 11 18.734 -0.696 -0.543
105 HG13 VAL 11 3HG1 VAL 11 18.041 -0.581 1.075
106 HG21 VAL 11 3HG2 VAL 11 16.475 -3.893 1.108
107 HG22 VAL 11 1HG2 VAL 11 17.906 -3.335 1.974
108 HG23 VAL 11 2HG2 VAL 11 16.480 -2.303 1.871
109 H SER 12 H SER 12 14.730 -3.586 0.068
110 HA SER 12 HA SER 12 15.017 -5.549 -2.069
111 HB2 SER 12 HB2 SER 12 13.756 -5.565 0.653
112 HB3 SER 12 HB3 SER 12 13.285 -6.779 -0.536
113 HG SER 12 HG SER 12 14.988 -7.767 0.227
114 H THR 13 H THR 13 13.627 -5.764 -3.695
115 HA THR 13 HA THR 13 10.877 -4.842 -3.420
116 HB THR 13 HB THR 13 11.165 -3.739 -5.770
117 HG1 THR 13 HG1 THR 13 13.182 -3.699 -6.394
118 HG21 THR 13 3HG2 THR 13 11.129 -2.768 -3.148
119 HG22 THR 13 1HG2 THR 13 10.778 -1.866 -4.621
120 HG23 THR 13 2HG2 THR 13 12.412 -1.871 -3.958
121 HA PRO 14 HA PRO 14 9.941 -8.288 -5.971
122 HB2 PRO 14 HB2 PRO 14 7.780 -7.393 -7.348
123 HB3 PRO 14 HB3 PRO 14 7.722 -7.803 -5.630
124 HG2 PRO 14 HG2 PRO 14 7.973 -5.118 -6.928
125 HG3 PRO 14 HG3 PRO 14 6.974 -5.603 -5.547
126 HD2 PRO 14 HD2 PRO 14 9.329 -4.300 -5.254
127 HD3 PRO 14 HD3 PRO 14 8.736 -5.479 -4.067
128 H THR 15 H THR 15 12.002 -7.916 -7.179
129 HA THR 15 HA THR 15 12.029 -6.450 -9.606
130 HB THR 15 HB THR 15 13.819 -8.807 -9.058
131 HG1 THR 15 HG1 THR 15 14.250 -6.168 -8.085
132 HG21 THR 15 3HG2 THR 15 14.006 -6.265 -10.640
133 HG22 THR 15 1HG2 THR 15 14.286 -7.923 -11.168
134 HG23 THR 15 2HG2 THR 15 15.459 -7.120 -10.124
135 H LEU 16 H LEU 16 10.416 -6.976 -11.011
136 HA LEU 16 HA LEU 16 9.627 -9.647 -11.586
137 HB2 LEU 16 HB2 LEU 16 8.266 -7.517 -11.867
138 HB3 LEU 16 HB3 LEU 16 9.176 -7.258 -13.354
139 HG LEU 16 HG LEU 16 7.756 -9.851 -13.011
140 HD11 LEU 16 1HD1 LEU 16 5.853 -8.747 -12.517
141 HD12 LEU 16 2HD1 LEU 16 5.848 -8.421 -14.250
142 HD13 LEU 16 3HD1 LEU 16 6.458 -7.206 -13.126
143 HD21 LEU 16 3HD2 LEU 16 8.220 -10.030 -15.175
144 HD22 LEU 16 1HD2 LEU 16 9.162 -8.545 -15.042
145 HD23 LEU 16 2HD2 LEU 16 7.466 -8.473 -15.522
Start of MODEL 18
1 H1 LEU 1 H LEU 1 1.416 0.815 0.779
2 HA LEU 1 HA LEU 1 2.991 2.690 -0.831
3 HB2 LEU 1 HB2 LEU 1 3.462 1.371 1.600
4 HB3 LEU 1 HB3 LEU 1 4.543 0.623 0.427
5 HG LEU 1 HG LEU 1 4.411 3.597 0.884
6 HD11 LEU 1 1HD1 LEU 1 6.769 2.792 1.970
7 HD12 LEU 1 2HD1 LEU 1 5.690 1.487 2.463
8 HD13 LEU 1 3HD1 LEU 1 5.308 3.155 2.889
9 HD21 LEU 1 3HD2 LEU 1 6.339 3.731 -0.408
10 HD22 LEU 1 1HD2 LEU 1 5.366 2.533 -1.261
11 HD23 LEU 1 2HD2 LEU 1 6.698 2.013 -0.228
12 H VAL 2 H VAL 2 1.192 0.593 -1.924
13 HA VAL 2 HA VAL 2 2.698 -1.566 -2.934
14 HB VAL 2 HB VAL 2 0.208 -1.476 -2.897
15 HG11 VAL 2 1HG1 VAL 2 0.022 -0.107 -5.474
16 HG12 VAL 2 2HG1 VAL 2 -1.000 0.024 -4.041
17 HG13 VAL 2 3HG1 VAL 2 0.505 0.940 -4.140
18 HG21 VAL 2 3HG2 VAL 2 -0.088 -2.772 -4.861
19 HG22 VAL 2 1HG2 VAL 2 1.248 -1.962 -5.679
20 HG23 VAL 2 2HG2 VAL 2 1.570 -3.049 -4.328
21 H ARG 3 H ARG 3 2.719 1.735 -3.721
22 HA ARG 3 HA ARG 3 3.189 1.819 -6.437
23 HB2 ARG 3 HB2 ARG 3 4.075 3.483 -4.128
24 HB3 ARG 3 HB3 ARG 3 4.849 3.753 -5.683
25 HG2 ARG 3 HG2 ARG 3 1.872 3.691 -5.509
26 HG3 ARG 3 HG3 ARG 3 2.756 5.134 -5.008
27 HD2 ARG 3 HD2 ARG 3 2.361 5.591 -7.229
28 HD3 ARG 3 HD3 ARG 3 3.958 4.848 -7.305
29 HE ARG 3 HE ARG 3 1.941 2.887 -7.606
30 HH11 ARG 3 1HH1 ARG 3 3.505 5.493 -9.304
31 HH12 ARG 3 2HH1 ARG 3 3.217 4.817 -10.873
32 HH21 ARG 3 1HH2 ARG 3 1.556 1.987 -9.666
33 HH22 ARG 3 2HH2 ARG 3 2.107 2.823 -11.078
34 H TYR 4 H TYR 4 5.380 0.912 -3.842
35 HA TYR 4 HA TYR 4 7.450 0.311 -5.849
36 HB2 TYR 4 HB2 TYR 4 7.910 0.548 -2.880
37 HB3 TYR 4 HB3 TYR 4 9.104 0.594 -4.172
38 HD1 TYR 4 HD2 TYR 4 7.937 2.522 -6.041
39 HD2 TYR 4 HD1 TYR 4 8.072 2.593 -1.789
40 HE1 TYR 4 HE2 TYR 4 7.801 4.977 -6.084
41 HE2 TYR 4 HE1 TYR 4 7.935 5.049 -1.820
42 HH TYR 4 HH TYR 4 7.289 6.816 -4.749
43 H THR 5 H THR 5 6.635 -0.891 -2.594
44 HA THR 5 HA THR 5 6.503 -3.613 -3.682
45 HB THR 5 HB THR 5 7.926 -4.541 -2.023
46 HG1 THR 5 HG1 THR 5 8.962 -2.856 -0.532
47 HG21 THR 5 3HG2 THR 5 8.880 -2.872 -3.947
48 HG22 THR 5 1HG2 THR 5 9.890 -3.885 -2.917
49 HG23 THR 5 2HG2 THR 5 9.627 -2.191 -2.503
50 H LYS 6 H LYS 6 6.061 -5.062 -1.471
51 HA LYS 6 HA LYS 6 3.454 -4.100 -0.613
52 HB2 LYS 6 HB2 LYS 6 4.827 -6.720 -0.739
53 HB3 LYS 6 HB3 LYS 6 3.684 -6.511 0.582
54 HG2 LYS 6 HG2 LYS 6 2.761 -5.698 -2.103
55 HG3 LYS 6 HG3 LYS 6 2.989 -7.427 -1.827
56 HD2 LYS 6 HD2 LYS 6 0.732 -6.937 -1.276
57 HD3 LYS 6 HD3 LYS 6 1.587 -7.165 0.251
58 HE2 LYS 6 HE2 LYS 6 0.097 -5.238 0.359
59 HE3 LYS 6 HE3 LYS 6 1.783 -4.744 0.506
60 HZ1 LYS 6 HZ1 LYS 6 -0.038 -3.706 -1.227
61 HZ2 LYS 6 HZ2 LYS 6 0.866 -4.746 -2.206
62 HZ3 LYS 6 HZ3 LYS 6 1.641 -3.523 -1.332
63 H LYS 7 H LYS 7 6.652 -4.495 0.630
64 HA LYS 7 HA LYS 7 5.688 -3.807 3.329
65 HB2 LYS 7 HB2 LYS 7 8.312 -5.131 2.631
66 HB3 LYS 7 HB3 LYS 7 7.652 -4.872 4.241
67 HG2 LYS 7 HG2 LYS 7 5.754 -6.334 2.704
68 HG3 LYS 7 HG3 LYS 7 7.332 -7.109 2.552
69 HD2 LYS 7 HD2 LYS 7 6.408 -8.108 4.446
70 HD3 LYS 7 HD3 LYS 7 7.466 -6.860 5.110
71 HE2 LYS 7 HE2 LYS 7 5.442 -6.709 6.317
72 HE3 LYS 7 HE3 LYS 7 5.431 -5.360 5.182
73 HZ1 LYS 7 HZ1 LYS 7 4.108 -6.891 3.683
74 HZ2 LYS 7 HZ2 LYS 7 3.309 -6.297 5.051
75 HZ3 LYS 7 HZ3 LYS 7 3.896 -7.884 5.037
76 H VAL 8 H VAL 8 8.012 -2.970 4.482
77 HA VAL 8 HA VAL 8 8.193 -0.302 3.819
78 HB VAL 8 HB VAL 8 10.380 -1.979 5.059
79 HG11 VAL 8 1HG1 VAL 8 11.191 0.086 6.018
80 HG12 VAL 8 2HG1 VAL 8 11.119 0.239 4.261
81 HG13 VAL 8 3HG1 VAL 8 9.876 0.988 5.265
82 HG21 VAL 8 3HG2 VAL 8 9.333 -0.901 7.180
83 HG22 VAL 8 1HG2 VAL 8 7.905 -0.713 6.162
84 HG23 VAL 8 2HG2 VAL 8 8.569 -2.319 6.462
85 HA PRO 9 HA PRO 9 10.484 -0.262 0.036
86 HB2 PRO 9 HB2 PRO 9 11.053 2.393 0.002
87 HB3 PRO 9 HB3 PRO 9 9.451 1.749 -0.377
88 HG2 PRO 9 HG2 PRO 9 10.457 2.940 2.178
89 HG3 PRO 9 HG3 PRO 9 8.905 3.196 1.359
90 HD2 PRO 9 HD2 PRO 9 9.176 1.534 3.480
91 HD3 PRO 9 HD3 PRO 9 8.007 1.237 2.178
92 H GLN 10 H GLN 10 12.574 -0.560 -0.492
93 HA GLN 10 HA GLN 10 14.689 0.682 1.063
94 HB2 GLN 10 HB2 GLN 10 14.333 -2.311 0.884
95 HB3 GLN 10 HB3 GLN 10 15.836 -1.539 1.372
96 HG2 GLN 10 HG2 GLN 10 14.350 -0.355 3.139
97 HG3 GLN 10 HG3 GLN 10 13.226 -1.671 2.808
98 HE21 GLN 10 1HE2 GLN 10 14.723 -1.032 5.236
99 HE22 GLN 10 2HE2 GLN 10 15.654 -2.439 5.605
100 H VAL 11 H VAL 11 14.151 1.381 -1.438
101 HA VAL 11 HA VAL 11 14.949 1.546 -3.568
102 HB VAL 11 HB VAL 11 17.520 0.378 -2.531
103 HG11 VAL 11 1HG1 VAL 11 17.942 2.649 -4.113
104 HG12 VAL 11 2HG1 VAL 11 18.226 0.965 -4.555
105 HG13 VAL 11 3HG1 VAL 11 16.679 1.726 -4.925
106 HG21 VAL 11 3HG2 VAL 11 16.241 2.998 -1.885
107 HG22 VAL 11 1HG2 VAL 11 17.145 1.901 -0.841
108 HG23 VAL 11 2HG2 VAL 11 17.996 2.895 -2.024
109 H SER 12 H SER 12 13.500 -0.780 -3.151
110 HA SER 12 HA SER 12 14.602 -2.459 -5.233
111 HB2 SER 12 HB2 SER 12 14.680 -4.496 -4.013
112 HB3 SER 12 HB3 SER 12 15.533 -3.317 -3.016
113 HG SER 12 HG SER 12 13.431 -4.789 -2.364
114 H THR 13 H THR 13 13.053 -4.007 -6.055
115 HA THR 13 HA THR 13 10.275 -3.465 -5.251
116 HB THR 13 HB THR 13 9.842 -3.843 -7.838
117 HG1 THR 13 HG1 THR 13 12.421 -2.625 -7.786
118 HG21 THR 13 3HG2 THR 13 10.764 -1.237 -6.623
119 HG22 THR 13 1HG2 THR 13 9.121 -1.876 -6.622
120 HG23 THR 13 2HG2 THR 13 9.875 -1.384 -8.139
121 HA PRO 14 HA PRO 14 9.608 -7.802 -5.356
122 HB2 PRO 14 HB2 PRO 14 7.075 -7.970 -6.318
123 HB3 PRO 14 HB3 PRO 14 7.448 -7.385 -4.692
124 HG2 PRO 14 HG2 PRO 14 6.847 -5.824 -7.175
125 HG3 PRO 14 HG3 PRO 14 6.270 -5.559 -5.520
126 HD2 PRO 14 HD2 PRO 14 8.295 -4.125 -6.604
127 HD3 PRO 14 HD3 PRO 14 8.220 -4.513 -4.873
128 H THR 15 H THR 15 11.025 -8.621 -6.879
129 HA THR 15 HA THR 15 10.105 -8.704 -9.670
130 HB THR 15 HB THR 15 12.506 -9.559 -10.068
131 HG1 THR 15 HG1 THR 15 12.806 -9.783 -7.678
132 HG21 THR 15 3HG2 THR 15 12.942 -7.480 -10.781
133 HG22 THR 15 1HG2 THR 15 12.852 -6.813 -9.152
134 HG23 THR 15 2HG2 THR 15 11.379 -7.040 -10.095
135 H LEU 16 H LEU 16 8.557 -10.388 -9.095
136 HA LEU 16 HA LEU 16 9.714 -12.992 -8.444
137 HB2 LEU 16 HB2 LEU 16 6.808 -12.326 -8.845
138 HB3 LEU 16 HB3 LEU 16 7.492 -13.740 -8.045
139 HG LEU 16 HG LEU 16 7.887 -10.973 -6.948
140 HD11 LEU 16 1HD1 LEU 16 5.549 -11.081 -7.030
141 HD12 LEU 16 2HD1 LEU 16 5.966 -11.614 -5.402
142 HD13 LEU 16 3HD1 LEU 16 5.526 -12.799 -6.631
143 HD21 LEU 16 3HD2 LEU 16 9.188 -12.164 -5.581
144 HD22 LEU 16 1HD2 LEU 16 8.539 -13.698 -6.161
145 HD23 LEU 16 2HD2 LEU 16 7.691 -12.802 -4.901
Start of MODEL 19
1 H1 LEU 1 H LEU 1 2.437 0.261 1.445
2 HA LEU 1 HA LEU 1 2.660 1.829 -1.037
3 HB2 LEU 1 HB2 LEU 1 4.428 -0.219 0.236
4 HB3 LEU 1 HB3 LEU 1 4.495 0.048 -1.505
5 HG LEU 1 HG LEU 1 6.258 1.278 -0.399
6 HD11 LEU 1 1HD1 LEU 1 4.467 2.315 -2.214
7 HD12 LEU 1 2HD1 LEU 1 6.040 2.996 -1.801
8 HD13 LEU 1 3HD1 LEU 1 4.587 3.581 -0.992
9 HD21 LEU 1 3HD2 LEU 1 4.247 2.978 1.018
10 HD22 LEU 1 1HD2 LEU 1 5.967 2.765 1.347
11 HD23 LEU 1 2HD2 LEU 1 4.826 1.483 1.756
12 H VAL 2 H VAL 2 2.384 0.744 -3.049
13 HA VAL 2 HA VAL 2 0.925 -1.808 -2.887
14 HB VAL 2 HB VAL 2 0.188 0.500 -4.692
15 HG11 VAL 2 1HG1 VAL 2 -1.743 -0.858 -5.290
16 HG12 VAL 2 2HG1 VAL 2 -0.243 -1.707 -5.668
17 HG13 VAL 2 3HG1 VAL 2 -1.174 -2.153 -4.237
18 HG21 VAL 2 3HG2 VAL 2 -1.958 0.362 -3.261
19 HG22 VAL 2 1HG2 VAL 2 -0.932 -0.462 -2.086
20 HG23 VAL 2 2HG2 VAL 2 -0.546 1.183 -2.594
21 H ARG 3 H ARG 3 2.835 0.407 -4.862
22 HA ARG 3 HA ARG 3 3.147 -1.393 -7.051
23 HB2 ARG 3 HB2 ARG 3 3.553 1.257 -6.760
24 HB3 ARG 3 HB3 ARG 3 5.207 0.684 -6.592
25 HG2 ARG 3 HG2 ARG 3 4.946 1.175 -8.866
26 HG3 ARG 3 HG3 ARG 3 4.836 -0.583 -8.757
27 HD2 ARG 3 HD2 ARG 3 2.639 -0.616 -9.323
28 HD3 ARG 3 HD3 ARG 3 2.301 0.920 -8.528
29 HE ARG 3 HE ARG 3 2.971 0.520 -11.273
30 HH11 ARG 3 1HH1 ARG 3 3.222 2.757 -8.617
31 HH12 ARG 3 2HH1 ARG 3 3.343 4.154 -9.635
32 HH21 ARG 3 1HH2 ARG 3 3.128 2.352 -12.623
33 HH22 ARG 3 2HH2 ARG 3 3.288 3.922 -11.913
34 H TYR 4 H TYR 4 5.188 -0.491 -4.294
35 HA TYR 4 HA TYR 4 7.195 -2.450 -5.044
36 HB2 TYR 4 HB2 TYR 4 7.190 -0.892 -2.474
37 HB3 TYR 4 HB3 TYR 4 8.563 -1.506 -3.389
38 HD1 TYR 4 HD1 TYR 4 8.448 -0.517 -5.980
39 HD2 TYR 4 HD2 TYR 4 7.060 1.402 -2.445
40 HE1 TYR 4 HE1 TYR 4 8.699 1.670 -7.076
41 HE2 TYR 4 HE2 TYR 4 7.307 3.594 -3.532
42 HH TYR 4 HH TYR 4 7.817 3.942 -6.876
43 H THR 5 H THR 5 8.075 -3.423 -2.665
44 HA THR 5 HA THR 5 6.435 -5.628 -2.209
45 HB THR 5 HB THR 5 8.849 -5.567 -1.662
46 HG1 THR 5 HG1 THR 5 8.251 -7.222 -0.497
47 HG21 THR 5 3HG2 THR 5 8.107 -3.307 -0.144
48 HG22 THR 5 1HG2 THR 5 9.712 -4.014 -0.318
49 HG23 THR 5 2HG2 THR 5 8.660 -4.530 1.000
50 H LYS 6 H LYS 6 5.627 -6.250 0.048
51 HA LYS 6 HA LYS 6 3.594 -4.381 0.789
52 HB2 LYS 6 HB2 LYS 6 3.543 -6.985 0.816
53 HB3 LYS 6 HB3 LYS 6 4.285 -6.816 2.401
54 HG2 LYS 6 HG2 LYS 6 2.094 -6.897 3.002
55 HG3 LYS 6 HG3 LYS 6 2.277 -5.154 2.788
56 HD2 LYS 6 HD2 LYS 6 1.448 -6.846 0.469
57 HD3 LYS 6 HD3 LYS 6 0.259 -6.414 1.700
58 HE2 LYS 6 HE2 LYS 6 1.275 -4.001 1.308
59 HE3 LYS 6 HE3 LYS 6 1.688 -4.694 -0.260
60 HZ1 LYS 6 HZ1 LYS 6 -0.428 -3.674 -0.455
61 HZ2 LYS 6 HZ2 LYS 6 -1.014 -4.440 0.935
62 HZ3 LYS 6 HZ3 LYS 6 -0.693 -5.345 -0.458
63 H LYS 7 H LYS 7 6.805 -4.647 1.627
64 HA LYS 7 HA LYS 7 6.383 -3.486 4.295
65 HB2 LYS 7 HB2 LYS 7 8.064 -5.513 3.520
66 HB3 LYS 7 HB3 LYS 7 9.138 -4.121 3.502
67 HG2 LYS 7 HG2 LYS 7 9.418 -4.701 5.661
68 HG3 LYS 7 HG3 LYS 7 7.967 -3.717 5.868
69 HD2 LYS 7 HD2 LYS 7 7.927 -6.698 5.421
70 HD3 LYS 7 HD3 LYS 7 7.898 -5.942 7.016
71 HE2 LYS 7 HE2 LYS 7 5.833 -4.769 6.414
72 HE3 LYS 7 HE3 LYS 7 5.864 -5.531 4.825
73 HZ1 LYS 7 HZ1 LYS 7 5.811 -7.708 6.052
74 HZ2 LYS 7 HZ2 LYS 7 4.394 -6.789 6.135
75 HZ3 LYS 7 HZ3 LYS 7 5.453 -6.831 7.454
76 H VAL 8 H VAL 8 8.472 -2.002 4.800
77 HA VAL 8 HA VAL 8 8.063 0.413 3.535
78 HB VAL 8 HB VAL 8 10.631 -0.505 4.837
79 HG11 VAL 8 1HG1 VAL 8 9.573 2.291 4.438
80 HG12 VAL 8 2HG1 VAL 8 11.106 1.834 5.184
81 HG13 VAL 8 3HG1 VAL 8 10.839 1.545 3.464
82 HG21 VAL 8 3HG2 VAL 8 9.104 -0.779 6.530
83 HG22 VAL 8 1HG2 VAL 8 9.527 0.919 6.747
84 HG23 VAL 8 2HG2 VAL 8 8.033 0.481 5.918
85 HA PRO 9 HA PRO 9 9.989 -0.080 -0.416
86 HB2 PRO 9 HB2 PRO 9 10.032 2.543 -1.114
87 HB3 PRO 9 HB3 PRO 9 8.558 1.568 -1.136
88 HG2 PRO 9 HG2 PRO 9 9.524 3.495 0.941
89 HG3 PRO 9 HG3 PRO 9 7.890 3.282 0.287
90 HD2 PRO 9 HD2 PRO 9 8.648 2.255 2.674
91 HD3 PRO 9 HD3 PRO 9 7.454 1.459 1.629
92 H GLN 10 H GLN 10 12.087 -0.551 -0.577
93 HA GLN 10 HA GLN 10 14.048 1.533 0.040
94 HB2 GLN 10 HB2 GLN 10 14.306 -1.332 0.967
95 HB3 GLN 10 HB3 GLN 10 15.513 -0.069 1.170
96 HG2 GLN 10 HG2 GLN 10 13.650 1.186 2.440
97 HG3 GLN 10 HG3 GLN 10 12.879 -0.396 2.540
98 HE21 GLN 10 1HE2 GLN 10 15.784 1.410 3.342
99 HE22 GLN 10 2HE2 GLN 10 16.259 0.416 4.672
100 H VAL 11 H VAL 11 16.357 0.303 -0.548
101 HA VAL 11 HA VAL 11 16.446 0.279 -3.329
102 HB VAL 11 HB VAL 11 18.435 0.662 -1.965
103 HG11 VAL 11 1HG1 VAL 11 17.899 -1.021 -0.221
104 HG12 VAL 11 2HG1 VAL 11 18.375 -2.290 -1.351
105 HG13 VAL 11 3HG1 VAL 11 19.563 -1.111 -0.795
106 HG21 VAL 11 3HG2 VAL 11 18.869 -1.795 -3.651
107 HG22 VAL 11 1HG2 VAL 11 18.580 -0.192 -4.327
108 HG23 VAL 11 2HG2 VAL 11 20.006 -0.486 -3.331
109 H SER 12 H SER 12 15.750 -2.276 -1.081
110 HA SER 12 HA SER 12 15.863 -4.274 -3.227
111 HB2 SER 12 HB2 SER 12 15.740 -5.952 -1.456
112 HB3 SER 12 HB3 SER 12 17.041 -4.812 -1.116
113 HG SER 12 HG SER 12 15.118 -3.720 0.090
114 H THR 13 H THR 13 14.009 -4.147 -4.363
115 HA THR 13 HA THR 13 11.552 -4.877 -3.005
116 HB THR 13 HB THR 13 10.447 -2.961 -4.513
117 HG1 THR 13 HG1 THR 13 12.807 -2.312 -4.933
118 HG21 THR 13 3HG2 THR 13 11.596 -2.577 -1.747
119 HG22 THR 13 1HG2 THR 13 10.020 -3.260 -2.145
120 HG23 THR 13 2HG2 THR 13 10.353 -1.560 -2.474
121 HA PRO 14 HA PRO 14 10.715 -7.064 -6.717
122 HB2 PRO 14 HB2 PRO 14 8.011 -6.896 -6.886
123 HB3 PRO 14 HB3 PRO 14 8.838 -7.897 -5.687
124 HG2 PRO 14 HG2 PRO 14 7.638 -5.172 -5.377
125 HG3 PRO 14 HG3 PRO 14 7.548 -6.564 -4.284
126 HD2 PRO 14 HD2 PRO 14 9.251 -4.499 -3.875
127 HD3 PRO 14 HD3 PRO 14 9.639 -6.165 -3.400
128 H THR 15 H THR 15 9.971 -6.893 -8.911
129 HA THR 15 HA THR 15 9.602 -4.104 -9.795
130 HB THR 15 HB THR 15 11.784 -5.014 -10.475
131 HG1 THR 15 HG1 THR 15 11.594 -4.320 -12.564
132 HG21 THR 15 3HG2 THR 15 10.406 -6.943 -12.299
133 HG22 THR 15 1HG2 THR 15 10.762 -7.411 -10.637
134 HG23 THR 15 2HG2 THR 15 12.072 -6.943 -11.722
135 H LEU 16 H LEU 16 7.423 -5.743 -9.090
136 HA LEU 16 HA LEU 16 6.135 -6.041 -11.717
137 HB2 LEU 16 HB2 LEU 16 5.734 -7.870 -9.355
138 HB3 LEU 16 HB3 LEU 16 4.911 -7.981 -10.909
139 HG LEU 16 HG LEU 16 7.873 -8.379 -10.488
140 HD11 LEU 16 1HD1 LEU 16 7.153 -10.319 -9.592
141 HD12 LEU 16 2HD1 LEU 16 6.948 -10.771 -11.284
142 HD13 LEU 16 3HD1 LEU 16 5.563 -10.207 -10.349
143 HD21 LEU 16 3HD2 LEU 16 6.118 -8.230 -12.859
144 HD22 LEU 16 1HD2 LEU 16 7.306 -9.533 -12.842
145 HD23 LEU 16 2HD2 LEU 16 7.834 -7.858 -12.687
Start of MODEL 20
1 H1 LEU 1 H LEU 1 1.763 1.517 2.528
2 HA LEU 1 HA LEU 1 1.579 2.736 -0.072
3 HB2 LEU 1 HB2 LEU 1 3.504 2.819 1.698
4 HB3 LEU 1 HB3 LEU 1 4.022 1.329 0.911
5 HG LEU 1 HG LEU 1 3.542 3.801 -0.708
6 HD11 LEU 1 1HD1 LEU 1 6.078 3.131 0.779
7 HD12 LEU 1 2HD1 LEU 1 5.014 4.499 1.103
8 HD13 LEU 1 3HD1 LEU 1 5.891 4.407 -0.424
9 HD21 LEU 1 3HD2 LEU 1 5.781 2.048 -1.329
10 HD22 LEU 1 1HD2 LEU 1 4.471 2.625 -2.360
11 HD23 LEU 1 2HD2 LEU 1 4.227 1.211 -1.334
12 H VAL 2 H VAL 2 0.346 1.367 -1.347
13 HA VAL 2 HA VAL 2 1.497 -1.292 -1.883
14 HB VAL 2 HB VAL 2 -1.308 -0.377 -2.525
15 HG11 VAL 2 1HG1 VAL 2 -1.353 -3.090 -2.354
16 HG12 VAL 2 2HG1 VAL 2 -1.171 -2.182 -3.856
17 HG13 VAL 2 3HG1 VAL 2 0.253 -2.810 -3.025
18 HG21 VAL 2 3HG2 VAL 2 -0.133 -1.511 -0.056
19 HG22 VAL 2 1HG2 VAL 2 -1.517 -0.439 -0.267
20 HG23 VAL 2 2HG2 VAL 2 -1.685 -2.167 -0.577
21 H ARG 3 H ARG 3 3.037 0.074 -3.216
22 HA ARG 3 HA ARG 3 1.955 0.295 -5.940
23 HB2 ARG 3 HB2 ARG 3 3.467 2.331 -4.374
24 HB3 ARG 3 HB3 ARG 3 3.803 2.197 -6.095
25 HG2 ARG 3 HG2 ARG 3 0.970 2.389 -5.213
26 HG3 ARG 3 HG3 ARG 3 1.972 3.841 -5.179
27 HD2 ARG 3 HD2 ARG 3 1.162 3.990 -7.306
28 HD3 ARG 3 HD3 ARG 3 2.608 3.028 -7.610
29 HE ARG 3 HE ARG 3 0.275 1.444 -7.074
30 HH11 ARG 3 1HH1 ARG 3 2.067 3.147 -9.526
31 HH12 ARG 3 2HH1 ARG 3 1.438 2.196 -10.831
32 HH21 ARG 3 1HH2 ARG 3 -0.560 0.185 -8.784
33 HH22 ARG 3 2HH2 ARG 3 -0.057 0.513 -10.407
34 H TYR 4 H TYR 4 4.819 -0.062 -3.896
35 HA TYR 4 HA TYR 4 6.231 -1.306 -6.155
36 HB2 TYR 4 HB2 TYR 4 7.457 -0.432 -3.540
37 HB3 TYR 4 HB3 TYR 4 8.282 -0.808 -5.049
38 HD1 TYR 4 HD2 TYR 4 7.813 0.733 -7.056
39 HD2 TYR 4 HD1 TYR 4 6.868 1.770 -3.040
40 HE1 TYR 4 HE2 TYR 4 7.742 3.108 -7.692
41 HE2 TYR 4 HE1 TYR 4 6.793 4.148 -3.664
42 HH TYR 4 HH TYR 4 7.560 5.634 -5.347
43 H THR 5 H THR 5 6.217 -1.696 -2.609
44 HA THR 5 HA THR 5 5.809 -4.577 -2.973
45 HB THR 5 HB THR 5 8.235 -4.260 -2.740
46 HG1 THR 5 HG1 THR 5 8.368 -5.935 -1.401
47 HG21 THR 5 3HG2 THR 5 9.139 -2.801 -1.316
48 HG22 THR 5 1HG2 THR 5 8.293 -3.531 0.048
49 HG23 THR 5 2HG2 THR 5 7.507 -2.272 -0.906
50 H LYS 6 H LYS 6 4.994 -5.666 -1.105
51 HA LYS 6 HA LYS 6 2.996 -4.310 0.269
52 HB2 LYS 6 HB2 LYS 6 3.078 -6.764 -0.032
53 HB3 LYS 6 HB3 LYS 6 4.403 -6.848 1.122
54 HG2 LYS 6 HG2 LYS 6 2.585 -7.412 2.416
55 HG3 LYS 6 HG3 LYS 6 2.744 -5.683 2.734
56 HD2 LYS 6 HD2 LYS 6 0.994 -6.587 0.495
57 HD3 LYS 6 HD3 LYS 6 0.409 -6.740 2.153
58 HE2 LYS 6 HE2 LYS 6 1.279 -4.234 2.279
59 HE3 LYS 6 HE3 LYS 6 0.974 -4.308 0.544
60 HZ1 LYS 6 HZ1 LYS 6 -0.974 -3.516 1.665
61 HZ2 LYS 6 HZ2 LYS 6 -0.987 -4.847 2.707
62 HZ3 LYS 6 HZ3 LYS 6 -1.298 -5.062 1.059
63 H LYS 7 H LYS 7 6.366 -4.705 1.025
64 HA LYS 7 HA LYS 7 5.964 -3.505 3.674
65 HB2 LYS 7 HB2 LYS 7 7.515 -5.625 2.950
66 HB3 LYS 7 HB3 LYS 7 8.685 -4.314 2.877
67 HG2 LYS 7 HG2 LYS 7 8.947 -4.512 5.064
68 HG3 LYS 7 HG3 LYS 7 7.291 -3.937 5.270
69 HD2 LYS 7 HD2 LYS 7 7.846 -6.823 4.683
70 HD3 LYS 7 HD3 LYS 7 7.979 -6.198 6.328
71 HE2 LYS 7 HE2 LYS 7 5.530 -5.826 4.619
72 HE3 LYS 7 HE3 LYS 7 5.748 -7.203 5.697
73 HZ1 LYS 7 HZ1 LYS 7 5.642 -5.868 7.562
74 HZ2 LYS 7 HZ2 LYS 7 4.492 -5.151 6.551
75 HZ3 LYS 7 HZ3 LYS 7 6.023 -4.452 6.718
76 H VAL 8 H VAL 8 8.325 -2.269 4.126
77 HA VAL 8 HA VAL 8 8.017 0.236 2.957
78 HB VAL 8 HB VAL 8 10.539 -0.905 4.171
79 HG11 VAL 8 1HG1 VAL 8 9.683 1.970 3.855
80 HG12 VAL 8 2HG1 VAL 8 11.189 1.388 4.567
81 HG13 VAL 8 3HG1 VAL 8 10.877 1.154 2.846
82 HG21 VAL 8 3HG2 VAL 8 9.360 0.771 6.016
83 HG22 VAL 8 1HG2 VAL 8 7.992 -0.098 5.319
84 HG23 VAL 8 2HG2 VAL 8 9.328 -0.992 6.046
85 HA PRO 9 HA PRO 9 9.802 -0.308 -1.053
86 HB2 PRO 9 HB2 PRO 9 10.016 2.320 -1.699
87 HB3 PRO 9 HB3 PRO 9 8.476 1.452 -1.702
88 HG2 PRO 9 HG2 PRO 9 9.626 3.260 0.388
89 HG3 PRO 9 HG3 PRO 9 7.966 3.177 -0.228
90 HD2 PRO 9 HD2 PRO 9 8.707 2.046 2.118
91 HD3 PRO 9 HD3 PRO 9 7.435 1.360 1.087
92 H GLN 10 H GLN 10 11.854 -1.083 -0.894
93 HA GLN 10 HA GLN 10 13.981 0.901 -0.464
94 HB2 GLN 10 HB2 GLN 10 14.118 -1.958 0.497
95 HB3 GLN 10 HB3 GLN 10 15.294 -0.682 0.783
96 HG2 GLN 10 HG2 GLN 10 13.351 0.533 1.963
97 HG3 GLN 10 HG3 GLN 10 12.588 -1.055 1.993
98 HE21 GLN 10 1HE2 GLN 10 14.406 1.017 3.734
99 HE22 GLN 10 2HE2 GLN 10 15.206 -0.095 4.787
100 H VAL 11 H VAL 11 16.177 -0.570 -0.999
101 HA VAL 11 HA VAL 11 16.338 -0.625 -3.755
102 HB VAL 11 HB VAL 11 17.996 -2.276 -1.843
103 HG11 VAL 11 1HG1 VAL 11 18.679 -3.123 -3.836
104 HG12 VAL 11 2HG1 VAL 11 18.179 -1.693 -4.741
105 HG13 VAL 11 3HG1 VAL 11 19.682 -1.673 -3.817
106 HG21 VAL 11 3HG2 VAL 11 18.578 -0.263 -1.039
107 HG22 VAL 11 1HG2 VAL 11 19.505 -0.112 -2.531
108 HG23 VAL 11 2HG2 VAL 11 17.892 0.594 -2.419
109 H SER 12 H SER 12 15.281 -3.123 -1.556
110 HA SER 12 HA SER 12 15.176 -5.102 -3.699
111 HB2 SER 12 HB2 SER 12 16.021 -5.884 -1.559
112 HB3 SER 12 HB3 SER 12 14.563 -5.322 -0.742
113 HG SER 12 HG SER 12 14.878 -7.483 -2.525
114 H THR 13 H THR 13 13.373 -5.627 -4.761
115 HA THR 13 HA THR 13 10.755 -5.249 -3.620
116 HB THR 13 HB THR 13 10.166 -3.907 -5.857
117 HG1 THR 13 HG1 THR 13 11.846 -2.357 -6.213
118 HG21 THR 13 3HG2 THR 13 10.420 -3.304 -3.121
119 HG22 THR 13 1HG2 THR 13 9.487 -2.429 -4.334
120 HG23 THR 13 2HG2 THR 13 11.152 -1.959 -3.994
121 HA PRO 14 HA PRO 14 9.697 -8.525 -6.342
122 HB2 PRO 14 HB2 PRO 14 7.104 -7.972 -6.927
123 HB3 PRO 14 HB3 PRO 14 7.628 -8.555 -5.342
124 HG2 PRO 14 HG2 PRO 14 7.016 -5.761 -6.225
125 HG3 PRO 14 HG3 PRO 14 6.569 -6.581 -4.718
126 HD2 PRO 14 HD2 PRO 14 8.642 -4.847 -4.873
127 HD3 PRO 14 HD3 PRO 14 8.641 -6.237 -3.768
128 H THR 15 H THR 15 8.459 -8.925 -8.516
129 HA THR 15 HA THR 15 8.668 -8.733 -10.785
130 HB THR 15 HB THR 15 8.043 -6.299 -11.577
131 HG1 THR 15 HG1 THR 15 6.666 -5.448 -9.729
132 HG21 THR 15 3HG2 THR 15 5.658 -6.820 -11.185
133 HG22 THR 15 1HG2 THR 15 6.140 -8.104 -10.078
134 HG23 THR 15 2HG2 THR 15 6.561 -8.209 -11.787
135 H LEU 16 H LEU 16 10.948 -9.086 -10.836
136 HA LEU 16 HA LEU 16 12.442 -6.684 -11.635
137 HB2 LEU 16 HB2 LEU 16 13.161 -7.246 -9.402
138 HB3 LEU 16 HB3 LEU 16 13.422 -8.924 -9.874
139 HG LEU 16 HG LEU 16 15.237 -8.136 -11.397
140 HD11 LEU 16 1HD1 LEU 16 14.950 -5.523 -9.927
141 HD12 LEU 16 2HD1 LEU 16 14.383 -5.800 -11.574
142 HD13 LEU 16 3HD1 LEU 16 16.103 -5.919 -11.202
143 HD21 LEU 16 3HD2 LEU 16 15.890 -7.187 -8.647
144 HD22 LEU 16 1HD2 LEU 16 16.824 -8.209 -9.739
145 HD23 LEU 16 2HD2 LEU 16 15.428 -8.872 -8.890