NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
583792 |
2rum   |
11580 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 1.808 0.000 0.855
2 HA MET 1 HA MET 1 1.688 0.771 -1.880
3 HB2 MET 1 2HB MET 1 3.627 1.223 -0.392
4 HB3 MET 1 3HB MET 1 3.984 -0.499 -0.378
5 HG2 MET 1 2HG MET 1 4.171 -0.338 -2.897
6 HG3 MET 1 3HG MET 1 4.149 1.411 -2.684
7 HE1 MET 1 3HE MET 1 7.908 0.328 -3.506
8 HE2 MET 1 1HE MET 1 6.399 -0.358 -4.108
9 HE3 MET 1 2HE MET 1 6.600 1.392 -4.025
10 H TRP 2 H TRP 2 1.935 -2.306 -0.204
11 HA TRP 2 HA TRP 2 2.222 -3.747 -2.723
12 HB2 TRP 2 2HB TRP 2 2.775 -4.307 0.082
13 HB3 TRP 2 3HB TRP 2 1.917 -5.631 -0.704
14 HD1 TRP 2 HD1 TRP 2 3.143 -6.359 -3.202
15 HE1 TRP 2 HE1 TRP 2 5.656 -6.737 -3.612
16 HE3 TRP 2 HE3 TRP 2 5.016 -3.757 0.780
17 HZ2 TRP 2 HZ2 TRP 2 8.108 -6.027 -2.407
18 HZ3 TRP 2 HZ3 TRP 2 7.456 -3.655 1.080
19 HH2 TRP 2 HH2 TRP 2 8.968 -4.768 -0.481
20 H LYS 3 H LYS 3 -0.178 -2.942 -0.358
21 HA LYS 3 HA LYS 3 -2.058 -4.964 -1.155
22 HB2 LYS 3 2HB LYS 3 -3.620 -3.808 0.316
23 HB3 LYS 3 3HB LYS 3 -2.070 -4.023 1.118
24 HG2 LYS 3 2HG LYS 3 -1.689 -1.587 0.071
25 HG3 LYS 3 3HG LYS 3 -3.442 -1.555 0.270
26 HD2 LYS 3 2HD LYS 3 -3.264 -1.989 2.606
27 HD3 LYS 3 3HD LYS 3 -1.541 -2.348 2.469
28 HE2 LYS 3 2HE LYS 3 -1.345 -0.211 3.185
29 HE3 LYS 3 3HE LYS 3 -1.557 0.139 1.470
30 HZ1 LYS 3 3HZ LYS 3 -4.046 -0.121 2.862
31 HZ2 LYS 3 1HZ LYS 3 -3.498 1.124 1.856
32 HZ3 LYS 3 2HZ LYS 3 -3.084 1.117 3.496
33 H THR 4 H THR 4 -1.254 -1.749 -2.159
34 HA THR 4 HA THR 4 -3.586 -0.850 -3.324
35 HB THR 4 HB THR 4 -1.498 -0.208 -5.134
36 HG1 THR 4 HG1 THR 4 0.034 0.592 -3.531
37 HG21 THR 4 3HG2 THR 4 -3.287 1.297 -4.453
38 HG22 THR 4 1HG2 THR 4 -1.716 2.025 -4.117
39 HG23 THR 4 2HG2 THR 4 -2.662 1.323 -2.804
40 HA PRO 5 HA PRO 5 -2.469 -3.127 -7.431
41 HB2 PRO 5 2HB PRO 5 -0.412 -4.897 -7.366
42 HB3 PRO 5 3HB PRO 5 -0.193 -3.182 -7.736
43 HG2 PRO 5 2HG PRO 5 0.249 -4.636 -5.156
44 HG3 PRO 5 3HG PRO 5 1.255 -3.396 -5.928
45 HD2 PRO 5 2HD PRO 5 -0.433 -2.838 -3.886
46 HD3 PRO 5 3HD PRO 5 -0.072 -1.670 -5.172
47 H THR 6 H THR 6 -2.435 -4.643 -4.340
48 HA THR 6 HA THR 6 -3.083 -7.288 -5.180
49 HB THR 6 HB THR 6 -3.544 -5.951 -2.506
50 HG1 THR 6 HG1 THR 6 -1.455 -7.681 -3.391
51 HG21 THR 6 3HG2 THR 6 -3.401 -8.458 -1.800
52 HG22 THR 6 1HG2 THR 6 -3.884 -8.765 -3.467
53 HG23 THR 6 2HG2 THR 6 -4.923 -7.810 -2.409
54 H LEU 7 H LEU 7 -4.960 -4.445 -4.300
55 HA LEU 7 HA LEU 7 -7.465 -5.907 -4.540
56 HB2 LEU 7 2HB LEU 7 -8.526 -4.009 -3.671
57 HB3 LEU 7 3HB LEU 7 -7.008 -4.141 -2.784
58 HG LEU 7 HG LEU 7 -6.411 -2.448 -4.901
59 HD11 LEU 7 1HD1 LEU 7 -8.863 -2.305 -5.327
60 HD12 LEU 7 2HD1 LEU 7 -8.103 -0.763 -4.937
61 HD13 LEU 7 3HD1 LEU 7 -9.051 -1.612 -3.716
62 HD21 LEU 7 3HD2 LEU 7 -6.578 -0.692 -3.028
63 HD22 LEU 7 1HD2 LEU 7 -5.464 -2.042 -2.812
64 HD23 LEU 7 2HD2 LEU 7 -7.026 -2.049 -1.994
65 H LYS 8 H LYS 8 -5.351 -4.189 -6.529
66 HA LYS 8 HA LYS 8 -7.402 -3.272 -8.377
67 HB2 LYS 8 2HB LYS 8 -5.207 -2.037 -7.815
68 HB3 LYS 8 3HB LYS 8 -4.435 -3.208 -8.877
69 HG2 LYS 8 2HG LYS 8 -4.829 -1.618 -10.421
70 HG3 LYS 8 3HG LYS 8 -6.412 -2.396 -10.489
71 HD2 LYS 8 2HD LYS 8 -7.429 -0.718 -9.246
72 HD3 LYS 8 3HD LYS 8 -5.901 -0.173 -8.549
73 HE2 LYS 8 2HE LYS 8 -6.348 0.037 -11.496
74 HE3 LYS 8 3HE LYS 8 -7.073 1.228 -10.417
75 HZ1 LYS 8 3HZ LYS 8 -4.296 0.843 -11.147
76 HZ2 LYS 8 1HZ LYS 8 -4.566 1.167 -9.508
77 HZ3 LYS 8 2HZ LYS 8 -5.111 2.252 -10.686
78 H TYR 9 H TYR 9 -4.449 -5.246 -8.741
79 HA TYR 9 HA TYR 9 -5.559 -6.531 -11.084
80 HB2 TYR 9 2HB TYR 9 -2.957 -6.027 -10.092
81 HB3 TYR 9 3HB TYR 9 -3.137 -7.776 -10.174
82 HD1 TYR 9 HD2 TYR 9 -3.711 -4.716 -12.234
83 HD2 TYR 9 HD1 TYR 9 -2.723 -8.854 -12.183
84 HE1 TYR 9 HE2 TYR 9 -3.288 -4.638 -14.655
85 HE2 TYR 9 HE1 TYR 9 -2.296 -8.788 -14.604
86 HH TYR 9 HH TYR 9 -1.647 -7.003 -16.310
87 H PHE 10 H PHE 10 -4.604 -7.464 -7.800
88 HA PHE 10 HA PHE 10 -5.583 -10.166 -8.188
89 HB2 PHE 10 2HB PHE 10 -3.914 -8.773 -6.231
90 HB3 PHE 10 3HB PHE 10 -5.049 -9.898 -5.493
91 HD1 PHE 10 HD2 PHE 10 -4.969 -12.293 -6.072
92 HD2 PHE 10 HD1 PHE 10 -2.048 -9.537 -7.482
93 HE1 PHE 10 HE2 PHE 10 -3.472 -14.167 -6.624
94 HE2 PHE 10 HE1 PHE 10 -0.547 -11.406 -8.037
95 HZ PHE 10 HZ PHE 10 -1.258 -13.724 -7.607
96 H GLY 11 H GLY 11 -6.995 -7.256 -7.545
97 HA2 GLY 11 2HA GLY 11 -8.722 -7.607 -5.427
98 HA3 GLY 11 3HA GLY 11 -9.121 -6.695 -6.875
99 H GLY 12 H GLY 12 -9.603 -8.276 -8.824
100 HA2 GLY 12 2HA GLY 12 -12.029 -9.522 -8.294
101 HA3 GLY 12 3HA GLY 12 -11.051 -9.811 -9.725
102 H PHE 13 H PHE 13 -8.813 -10.757 -7.933
103 HA PHE 13 HA PHE 13 -9.626 -13.525 -7.900
104 HB2 PHE 13 2HB PHE 13 -7.363 -12.764 -8.665
105 HB3 PHE 13 3HB PHE 13 -7.000 -12.329 -6.998
106 HD1 PHE 13 HD1 PHE 13 -7.373 -14.263 -5.252
107 HD2 PHE 13 HD2 PHE 13 -6.740 -14.839 -9.421
108 HE1 PHE 13 HE1 PHE 13 -6.615 -16.563 -4.816
109 HE2 PHE 13 HE2 PHE 13 -5.981 -17.140 -8.992
110 HZ PHE 13 HZ PHE 13 -5.919 -18.005 -6.687
111 H ASN 14 H ASN 14 -9.012 -10.981 -5.579
112 HA ASN 14 HA ASN 14 -8.901 -12.617 -3.268
113 HB2 ASN 14 2HB ASN 14 -9.595 -9.693 -3.608
114 HB3 ASN 14 3HB ASN 14 -9.378 -10.479 -2.046
115 HD21 ASN 14 1HD2 ASN 14 -7.245 -11.851 -2.046
116 HD22 ASN 14 2HD2 ASN 14 -5.847 -10.982 -2.572
117 H PHE 15 H PHE 15 -11.423 -11.956 -5.346
118 HA PHE 15 HA PHE 15 -13.672 -11.485 -3.906
119 HB2 PHE 15 2HB PHE 15 -13.064 -12.749 -6.407
120 HB3 PHE 15 3HB PHE 15 -14.347 -13.649 -5.605
121 HD1 PHE 15 HD1 PHE 15 -13.876 -10.047 -5.122
122 HD2 PHE 15 HD2 PHE 15 -16.032 -13.067 -7.207
123 HE1 PHE 15 HE1 PHE 15 -15.513 -8.364 -5.861
124 HE2 PHE 15 HE2 PHE 15 -17.671 -11.389 -7.950
125 HZ PHE 15 HZ PHE 15 -17.413 -9.034 -7.277
126 H SER 16 H SER 16 -11.773 -14.423 -3.917
127 HA SER 16 HA SER 16 -13.684 -16.014 -2.512
128 HB2 SER 16 2HB SER 16 -10.710 -16.367 -2.945
129 HB3 SER 16 3HB SER 16 -11.748 -17.572 -2.182
130 HG SER 16 HG SER 16 -11.302 -17.632 -4.599
131 H GLN 17 H GLN 17 -10.981 -13.970 -1.590
132 HA GLN 17 HA GLN 17 -11.287 -14.696 1.218
133 HB2 GLN 17 2HB GLN 17 -9.087 -14.030 -0.285
134 HB3 GLN 17 3HB GLN 17 -9.423 -12.528 0.565
135 HG2 GLN 17 2HG GLN 17 -9.582 -14.769 2.361
136 HG3 GLN 17 3HG GLN 17 -8.034 -14.746 1.518
137 HE21 GLN 17 1HE2 GLN 17 -7.148 -12.387 1.355
138 HE22 GLN 17 2HE2 GLN 17 -7.129 -11.524 2.852
139 H ILE 18 H ILE 18 -11.235 -11.698 -0.714
140 HA ILE 18 HA ILE 18 -12.323 -10.113 1.392
141 HB ILE 18 HB ILE 18 -12.530 -8.341 -0.276
142 HG12 ILE 18 2HG1 ILE 18 -11.285 -9.580 -2.527
143 HG13 ILE 18 3HG1 ILE 18 -12.691 -10.539 -2.081
144 HG21 ILE 18 1HG2 ILE 18 -10.015 -9.922 -0.065
145 HG22 ILE 18 2HG2 ILE 18 -10.064 -8.536 -1.153
146 HG23 ILE 18 3HG2 ILE 18 -10.397 -8.320 0.565
147 HD11 ILE 18 3HD1 ILE 18 -12.780 -8.420 -3.720
148 HD12 ILE 18 1HD1 ILE 18 -14.139 -8.950 -2.729
149 HD13 ILE 18 2HD1 ILE 18 -13.107 -7.630 -2.178
150 H LEU 19 H LEU 19 -13.712 -12.391 -0.590
151 HA LEU 19 HA LEU 19 -15.975 -11.851 -1.684
152 HB2 LEU 19 2HB LEU 19 -15.278 -14.065 -0.609
153 HB3 LEU 19 3HB LEU 19 -16.190 -13.525 0.799
154 HG LEU 19 HG LEU 19 -18.222 -13.412 -0.608
155 HD11 LEU 19 1HD1 LEU 19 -17.144 -13.047 -2.765
156 HD12 LEU 19 2HD1 LEU 19 -18.208 -14.452 -2.814
157 HD13 LEU 19 3HD1 LEU 19 -16.462 -14.673 -2.707
158 HD21 LEU 19 3HD2 LEU 19 -16.701 -15.936 -0.174
159 HD22 LEU 19 1HD2 LEU 19 -18.218 -15.998 -1.071
160 HD23 LEU 19 2HD2 LEU 19 -18.194 -15.372 0.578
Start of MODEL 2
1 H1 MET 1 H MET 1 1.433 0.560 0.376
2 HA MET 1 HA MET 1 1.947 0.761 -2.318
3 HB2 MET 1 2HB MET 1 3.514 0.178 0.084
4 HB3 MET 1 3HB MET 1 4.200 -0.519 -1.378
5 HG2 MET 1 2HG MET 1 5.212 1.499 -1.450
6 HG3 MET 1 3HG MET 1 3.730 1.913 -2.309
7 HE1 MET 1 3HE MET 1 5.579 3.911 -1.303
8 HE2 MET 1 1HE MET 1 4.059 4.775 -1.536
9 HE3 MET 1 2HE MET 1 4.947 4.948 -0.022
10 H TRP 2 H TRP 2 1.943 -2.186 -0.336
11 HA TRP 2 HA TRP 2 2.344 -3.832 -2.701
12 HB2 TRP 2 2HB TRP 2 3.027 -4.111 -0.009
13 HB3 TRP 2 3HB TRP 2 1.745 -5.292 -0.263
14 HD1 TRP 2 HD1 TRP 2 2.804 -7.571 -0.702
15 HE1 TRP 2 HE1 TRP 2 4.798 -8.453 -2.070
16 HE3 TRP 2 HE3 TRP 2 4.629 -3.122 -2.440
17 HZ2 TRP 2 HZ2 TRP 2 6.870 -7.403 -3.673
18 HZ3 TRP 2 HZ3 TRP 2 6.621 -3.149 -3.884
19 HH2 TRP 2 HH2 TRP 2 7.717 -5.246 -4.486
20 H LYS 3 H LYS 3 -0.195 -2.878 -0.516
21 HA LYS 3 HA LYS 3 -2.054 -4.902 -1.329
22 HB2 LYS 3 2HB LYS 3 -3.710 -3.541 -0.092
23 HB3 LYS 3 3HB LYS 3 -2.273 -3.887 0.860
24 HG2 LYS 3 2HG LYS 3 -1.656 -1.490 -0.331
25 HG3 LYS 3 3HG LYS 3 -3.382 -1.339 0.007
26 HD2 LYS 3 2HD LYS 3 -2.532 -2.406 2.333
27 HD3 LYS 3 3HD LYS 3 -1.090 -1.505 1.858
28 HE2 LYS 3 2HE LYS 3 -2.042 0.445 2.366
29 HE3 LYS 3 3HE LYS 3 -3.499 0.047 1.456
30 HZ1 LYS 3 3HZ LYS 3 -3.894 -1.472 3.560
31 HZ2 LYS 3 1HZ LYS 3 -4.373 0.151 3.528
32 HZ3 LYS 3 2HZ LYS 3 -2.934 -0.292 4.300
33 H THR 4 H THR 4 -1.136 -1.767 -2.480
34 HA THR 4 HA THR 4 -3.370 -0.926 -3.861
35 HB THR 4 HB THR 4 -1.177 -0.401 -5.566
36 HG1 THR 4 HG1 THR 4 0.158 0.554 -3.726
37 HG21 THR 4 3HG2 THR 4 -2.622 1.165 -3.442
38 HG22 THR 4 1HG2 THR 4 -2.815 1.254 -5.192
39 HG23 THR 4 2HG2 THR 4 -1.351 1.880 -4.433
40 HA PRO 5 HA PRO 5 -1.998 -3.471 -7.725
41 HB2 PRO 5 2HB PRO 5 0.028 -5.249 -7.403
42 HB3 PRO 5 3HB PRO 5 0.294 -3.564 -7.865
43 HG2 PRO 5 2HG PRO 5 0.537 -4.851 -5.173
44 HG3 PRO 5 3HG PRO 5 1.609 -3.672 -5.950
45 HD2 PRO 5 2HD PRO 5 -0.210 -2.971 -4.071
46 HD3 PRO 5 3HD PRO 5 0.254 -1.890 -5.401
47 H THR 6 H THR 6 -2.185 -4.792 -4.549
48 HA THR 6 HA THR 6 -2.879 -7.464 -5.334
49 HB THR 6 HB THR 6 -3.253 -6.064 -2.679
50 HG1 THR 6 HG1 THR 6 -1.351 -7.258 -2.140
51 HG21 THR 6 3HG2 THR 6 -3.419 -8.368 -1.775
52 HG22 THR 6 1HG2 THR 6 -3.449 -8.984 -3.427
53 HG23 THR 6 2HG2 THR 6 -4.756 -7.952 -2.846
54 H LEU 7 H LEU 7 -4.633 -4.536 -4.471
55 HA LEU 7 HA LEU 7 -7.196 -5.903 -4.665
56 HB2 LEU 7 2HB LEU 7 -6.232 -3.309 -3.656
57 HB3 LEU 7 3HB LEU 7 -7.835 -3.292 -4.387
58 HG LEU 7 HG LEU 7 -8.192 -5.351 -2.750
59 HD11 LEU 7 1HD1 LEU 7 -7.050 -4.635 -0.555
60 HD12 LEU 7 2HD1 LEU 7 -5.889 -3.820 -1.603
61 HD13 LEU 7 3HD1 LEU 7 -6.118 -5.564 -1.729
62 HD21 LEU 7 3HD2 LEU 7 -9.712 -3.686 -2.451
63 HD22 LEU 7 1HD2 LEU 7 -8.483 -2.421 -2.393
64 HD23 LEU 7 2HD2 LEU 7 -8.760 -3.446 -0.985
65 H LYS 8 H LYS 8 -5.041 -4.293 -6.700
66 HA LYS 8 HA LYS 8 -7.076 -3.319 -8.535
67 HB2 LYS 8 2HB LYS 8 -4.707 -2.280 -7.967
68 HB3 LYS 8 3HB LYS 8 -4.173 -3.377 -9.234
69 HG2 LYS 8 2HG LYS 8 -5.237 -2.221 -10.880
70 HG3 LYS 8 3HG LYS 8 -6.510 -1.641 -9.804
71 HD2 LYS 8 2HD LYS 8 -4.325 -0.426 -8.740
72 HD3 LYS 8 3HD LYS 8 -3.894 -0.466 -10.452
73 HE2 LYS 8 2HE LYS 8 -6.635 0.417 -9.711
74 HE3 LYS 8 3HE LYS 8 -5.295 1.523 -9.406
75 HZ1 LYS 8 3HZ LYS 8 -6.606 1.284 -11.751
76 HZ2 LYS 8 1HZ LYS 8 -5.242 0.320 -12.022
77 HZ3 LYS 8 2HZ LYS 8 -5.057 1.940 -11.572
78 H TYR 9 H TYR 9 -4.208 -5.412 -8.908
79 HA TYR 9 HA TYR 9 -5.395 -6.680 -11.222
80 HB2 TYR 9 2HB TYR 9 -2.754 -6.313 -10.204
81 HB3 TYR 9 3HB TYR 9 -3.035 -8.040 -10.393
82 HD1 TYR 9 HD2 TYR 9 -2.924 -4.808 -12.166
83 HD2 TYR 9 HD1 TYR 9 -3.199 -9.036 -12.558
84 HE1 TYR 9 HE2 TYR 9 -2.500 -4.606 -14.580
85 HE2 TYR 9 HE1 TYR 9 -2.775 -8.846 -14.973
86 HH TYR 9 HH TYR 9 -1.430 -6.662 -16.438
87 H PHE 10 H PHE 10 -4.437 -7.610 -7.938
88 HA PHE 10 HA PHE 10 -5.525 -10.277 -8.281
89 HB2 PHE 10 2HB PHE 10 -3.781 -8.925 -6.359
90 HB3 PHE 10 3HB PHE 10 -4.949 -9.998 -5.596
91 HD1 PHE 10 HD1 PHE 10 -4.969 -12.401 -6.155
92 HD2 PHE 10 HD2 PHE 10 -1.956 -9.772 -7.615
93 HE1 PHE 10 HE1 PHE 10 -3.550 -14.336 -6.702
94 HE2 PHE 10 HE2 PHE 10 -0.533 -11.703 -8.165
95 HZ PHE 10 HZ PHE 10 -1.330 -13.988 -7.709
96 H GLY 11 H GLY 11 -6.815 -7.306 -7.657
97 HA2 GLY 11 2HA GLY 11 -8.530 -7.565 -5.516
98 HA3 GLY 11 3HA GLY 11 -8.909 -6.654 -6.970
99 H GLY 12 H GLY 12 -9.477 -8.233 -8.895
100 HA2 GLY 12 2HA GLY 12 -11.944 -9.378 -8.323
101 HA3 GLY 12 3HA GLY 12 -10.995 -9.719 -9.763
102 H PHE 13 H PHE 13 -8.774 -10.734 -7.987
103 HA PHE 13 HA PHE 13 -9.694 -13.468 -7.917
104 HB2 PHE 13 2HB PHE 13 -7.412 -12.803 -8.715
105 HB3 PHE 13 3HB PHE 13 -7.013 -12.366 -7.057
106 HD1 PHE 13 HD1 PHE 13 -7.439 -14.267 -5.287
107 HD2 PHE 13 HD2 PHE 13 -6.879 -14.909 -9.457
108 HE1 PHE 13 HE1 PHE 13 -6.766 -16.590 -4.836
109 HE2 PHE 13 HE2 PHE 13 -6.206 -17.233 -9.013
110 HZ PHE 13 HZ PHE 13 -6.149 -18.077 -6.700
111 H ASN 14 H ASN 14 -8.954 -10.927 -5.629
112 HA ASN 14 HA ASN 14 -8.879 -12.544 -3.303
113 HB2 ASN 14 2HB ASN 14 -9.463 -9.598 -3.664
114 HB3 ASN 14 3HB ASN 14 -9.258 -10.376 -2.097
115 HD21 ASN 14 1HD2 ASN 14 -7.180 -11.836 -2.113
116 HD22 ASN 14 2HD2 ASN 14 -5.756 -11.026 -2.661
117 H PHE 15 H PHE 15 -11.398 -11.806 -5.359
118 HA PHE 15 HA PHE 15 -13.610 -11.233 -3.897
119 HB2 PHE 15 2HB PHE 15 -13.081 -12.544 -6.392
120 HB3 PHE 15 3HB PHE 15 -14.389 -13.385 -5.566
121 HD1 PHE 15 HD1 PHE 15 -13.772 -9.799 -5.125
122 HD2 PHE 15 HD2 PHE 15 -16.069 -12.753 -7.155
123 HE1 PHE 15 HE1 PHE 15 -15.350 -8.061 -5.862
124 HE2 PHE 15 HE2 PHE 15 -17.650 -11.020 -7.895
125 HZ PHE 15 HZ PHE 15 -17.292 -8.670 -7.250
126 H SER 16 H SER 16 -11.826 -14.242 -3.899
127 HA SER 16 HA SER 16 -13.781 -15.744 -2.457
128 HB2 SER 16 2HB SER 16 -12.173 -17.486 -2.387
129 HB3 SER 16 3HB SER 16 -11.904 -16.672 -3.928
130 HG SER 16 HG SER 16 -9.915 -16.812 -3.080
131 H GLN 17 H GLN 17 -10.990 -13.798 -1.587
132 HA GLN 17 HA GLN 17 -11.290 -14.484 1.232
133 HB2 GLN 17 2HB GLN 17 -9.084 -13.920 -0.303
134 HB3 GLN 17 3HB GLN 17 -9.351 -12.397 0.534
135 HG2 GLN 17 2HG GLN 17 -9.540 -14.701 2.296
136 HG3 GLN 17 3HG GLN 17 -7.971 -14.562 1.504
137 HE21 GLN 17 1HE2 GLN 17 -10.365 -12.594 3.222
138 HE22 GLN 17 2HE2 GLN 17 -9.214 -11.622 4.068
139 H ILE 18 H ILE 18 -11.145 -11.509 -0.732
140 HA ILE 18 HA ILE 18 -12.145 -9.863 1.371
141 HB ILE 18 HB ILE 18 -12.303 -8.100 -0.313
142 HG12 ILE 18 2HG1 ILE 18 -11.134 -9.409 -2.565
143 HG13 ILE 18 3HG1 ILE 18 -12.571 -10.308 -2.093
144 HG21 ILE 18 1HG2 ILE 18 -9.861 -9.764 -0.045
145 HG22 ILE 18 2HG2 ILE 18 -9.844 -8.466 -1.238
146 HG23 ILE 18 3HG2 ILE 18 -10.160 -8.100 0.458
147 HD11 ILE 18 3HD1 ILE 18 -12.703 -7.342 -2.362
148 HD12 ILE 18 1HD1 ILE 18 -12.752 -8.365 -3.798
149 HD13 ILE 18 2HD1 ILE 18 -13.979 -8.547 -2.543
150 H LEU 19 H LEU 19 -13.645 -12.104 -0.571
151 HA LEU 19 HA LEU 19 -15.898 -11.487 -1.646
152 HB2 LEU 19 2HB LEU 19 -15.275 -13.716 -0.556
153 HB3 LEU 19 3HB LEU 19 -16.148 -13.127 0.857
154 HG LEU 19 HG LEU 19 -18.191 -12.948 -0.527
155 HD11 LEU 19 1HD1 LEU 19 -17.125 -12.647 -2.700
156 HD12 LEU 19 2HD1 LEU 19 -18.245 -14.009 -2.722
157 HD13 LEU 19 3HD1 LEU 19 -16.508 -14.298 -2.633
158 HD21 LEU 19 3HD2 LEU 19 -16.764 -15.507 -0.040
159 HD22 LEU 19 1HD2 LEU 19 -18.254 -15.553 -0.984
160 HD23 LEU 19 2HD2 LEU 19 -18.267 -14.897 0.653
Start of MODEL 3
1 H1 MET 1 H MET 1 4.271 0.349 -0.760
2 HA MET 1 HA MET 1 1.566 0.291 -1.530
3 HB2 MET 1 2HB MET 1 2.431 0.663 -3.825
4 HB3 MET 1 3HB MET 1 3.132 1.758 -2.641
5 HG2 MET 1 2HG MET 1 5.196 1.015 -3.012
6 HG3 MET 1 3HG MET 1 4.687 -0.672 -3.000
7 HE1 MET 1 3HE MET 1 5.615 2.340 -4.607
8 HE2 MET 1 1HE MET 1 6.157 1.800 -6.196
9 HE3 MET 1 2HE MET 1 4.541 2.480 -5.999
10 H TRP 2 H TRP 2 2.161 -2.213 -0.448
11 HA TRP 2 HA TRP 2 2.328 -4.054 -2.708
12 HB2 TRP 2 2HB TRP 2 2.813 -4.221 0.179
13 HB3 TRP 2 3HB TRP 2 1.943 -5.609 -0.469
14 HD1 TRP 2 HD1 TRP 2 3.497 -7.490 -1.203
15 HE1 TRP 2 HE1 TRP 2 5.908 -7.666 -2.088
16 HE3 TRP 2 HE3 TRP 2 4.678 -2.517 -1.334
17 HZ2 TRP 2 HZ2 TRP 2 8.029 -5.926 -2.754
18 HZ3 TRP 2 HZ3 TRP 2 6.919 -1.858 -2.107
19 HH2 TRP 2 HH2 TRP 2 8.559 -3.528 -2.801
20 H LYS 3 H LYS 3 0.045 -2.818 -0.376
21 HA LYS 3 HA LYS 3 -1.990 -4.762 -0.920
22 HB2 LYS 3 2HB LYS 3 -3.457 -3.180 0.349
23 HB3 LYS 3 3HB LYS 3 -2.015 -3.684 1.221
24 HG2 LYS 3 2HG LYS 3 -1.039 -1.609 1.085
25 HG3 LYS 3 3HG LYS 3 -1.957 -1.153 -0.351
26 HD2 LYS 3 2HD LYS 3 -3.271 0.007 1.036
27 HD3 LYS 3 3HD LYS 3 -3.911 -1.554 1.555
28 HE2 LYS 3 2HE LYS 3 -2.596 -1.601 3.464
29 HE3 LYS 3 3HE LYS 3 -1.427 -0.456 2.808
30 HZ1 LYS 3 3HZ LYS 3 -3.287 0.207 4.581
31 HZ2 LYS 3 1HZ LYS 3 -4.132 0.544 3.155
32 HZ3 LYS 3 2HZ LYS 3 -2.651 1.301 3.458
33 H THR 4 H THR 4 -1.000 -1.746 -2.305
34 HA THR 4 HA THR 4 -3.298 -0.836 -3.531
35 HB THR 4 HB THR 4 -1.233 -0.522 -5.438
36 HG1 THR 4 HG1 THR 4 0.558 -0.217 -4.288
37 HG21 THR 4 3HG2 THR 4 -1.991 1.389 -3.233
38 HG22 THR 4 1HG2 THR 4 -2.985 1.112 -4.662
39 HG23 THR 4 2HG2 THR 4 -1.363 1.782 -4.833
40 HA PRO 5 HA PRO 5 -2.410 -3.630 -7.366
41 HB2 PRO 5 2HB PRO 5 -0.465 -5.509 -7.127
42 HB3 PRO 5 3HB PRO 5 -0.148 -3.865 -7.694
43 HG2 PRO 5 2HG PRO 5 0.258 -5.041 -4.971
44 HG3 PRO 5 3HG PRO 5 1.321 -3.963 -5.894
45 HD2 PRO 5 2HD PRO 5 -0.286 -3.072 -3.905
46 HD3 PRO 5 3HD PRO 5 0.119 -2.082 -5.322
47 H THR 6 H THR 6 -2.341 -4.826 -4.124
48 HA THR 6 HA THR 6 -3.143 -7.494 -4.604
49 HB THR 6 HB THR 6 -3.614 -5.771 -2.163
50 HG1 THR 6 HG1 THR 6 -1.731 -6.795 -1.408
51 HG21 THR 6 3HG2 THR 6 -3.420 -8.442 -1.408
52 HG22 THR 6 1HG2 THR 6 -4.464 -8.459 -2.828
53 HG23 THR 6 2HG2 THR 6 -4.884 -7.459 -1.437
54 H LEU 7 H LEU 7 -4.992 -4.554 -3.857
55 HA LEU 7 HA LEU 7 -7.500 -5.978 -4.248
56 HB2 LEU 7 2HB LEU 7 -8.563 -3.909 -3.550
57 HB3 LEU 7 3HB LEU 7 -7.325 -4.408 -2.399
58 HG LEU 7 HG LEU 7 -6.031 -2.653 -4.144
59 HD11 LEU 7 1HD1 LEU 7 -8.508 -1.275 -3.196
60 HD12 LEU 7 2HD1 LEU 7 -8.480 -2.079 -4.765
61 HD13 LEU 7 3HD1 LEU 7 -7.345 -0.773 -4.424
62 HD21 LEU 7 3HD2 LEU 7 -5.710 -2.963 -1.701
63 HD22 LEU 7 1HD2 LEU 7 -7.196 -2.053 -1.430
64 HD23 LEU 7 2HD2 LEU 7 -5.811 -1.272 -2.192
65 H LYS 8 H LYS 8 -5.286 -4.224 -6.091
66 HA LYS 8 HA LYS 8 -7.246 -3.226 -7.994
67 HB2 LYS 8 2HB LYS 8 -5.150 -1.959 -7.352
68 HB3 LYS 8 3HB LYS 8 -4.238 -3.170 -8.244
69 HG2 LYS 8 2HG LYS 8 -5.251 -2.541 -10.298
70 HG3 LYS 8 3HG LYS 8 -6.428 -1.517 -9.473
71 HD2 LYS 8 2HD LYS 8 -4.161 -0.399 -8.574
72 HD3 LYS 8 3HD LYS 8 -3.588 -1.006 -10.130
73 HE2 LYS 8 2HE LYS 8 -4.365 0.999 -10.841
74 HE3 LYS 8 3HE LYS 8 -5.883 0.106 -10.928
75 HZ1 LYS 8 3HZ LYS 8 -5.247 1.359 -8.376
76 HZ2 LYS 8 1HZ LYS 8 -6.736 1.201 -9.165
77 HZ3 LYS 8 2HZ LYS 8 -5.646 2.401 -9.648
78 H TYR 9 H TYR 9 -4.300 -5.221 -8.295
79 HA TYR 9 HA TYR 9 -5.322 -6.420 -10.723
80 HB2 TYR 9 2HB TYR 9 -2.759 -5.984 -9.596
81 HB3 TYR 9 3HB TYR 9 -2.957 -7.725 -9.761
82 HD1 TYR 9 HD1 TYR 9 -2.819 -4.529 -11.576
83 HD2 TYR 9 HD2 TYR 9 -3.054 -8.763 -11.929
84 HE1 TYR 9 HE1 TYR 9 -2.286 -4.353 -13.971
85 HE2 TYR 9 HE2 TYR 9 -2.521 -8.599 -14.324
86 HH TYR 9 HH TYR 9 -2.884 -6.434 -16.145
87 H PHE 10 H PHE 10 -4.518 -7.466 -7.432
88 HA PHE 10 HA PHE 10 -5.506 -10.143 -7.947
89 HB2 PHE 10 2HB PHE 10 -3.906 -8.831 -5.880
90 HB3 PHE 10 3HB PHE 10 -5.086 -9.961 -5.223
91 HD1 PHE 10 HD1 PHE 10 -5.004 -12.339 -5.849
92 HD2 PHE 10 HD2 PHE 10 -2.006 -9.585 -7.092
93 HE1 PHE 10 HE1 PHE 10 -3.509 -14.217 -6.393
94 HE2 PHE 10 HE2 PHE 10 -0.507 -11.458 -7.639
95 HZ PHE 10 HZ PHE 10 -1.258 -13.777 -7.290
96 H GLY 11 H GLY 11 -6.915 -7.239 -7.273
97 HA2 GLY 11 2HA GLY 11 -8.736 -7.637 -5.242
98 HA3 GLY 11 3HA GLY 11 -9.062 -6.674 -6.676
99 H GLY 12 H GLY 12 -9.477 -8.184 -8.694
100 HA2 GLY 12 2HA GLY 12 -11.936 -9.420 -8.308
101 HA3 GLY 12 3HA GLY 12 -10.901 -9.672 -9.706
102 H PHE 13 H PHE 13 -8.751 -10.701 -7.853
103 HA PHE 13 HA PHE 13 -9.591 -13.460 -7.949
104 HB2 PHE 13 2HB PHE 13 -7.290 -12.699 -8.590
105 HB3 PHE 13 3HB PHE 13 -6.995 -12.324 -6.896
106 HD1 PHE 13 HD1 PHE 13 -7.461 -14.311 -5.234
107 HD2 PHE 13 HD2 PHE 13 -6.656 -14.755 -9.390
108 HE1 PHE 13 HE1 PHE 13 -6.744 -16.632 -4.844
109 HE2 PHE 13 HE2 PHE 13 -5.939 -17.077 -9.007
110 HZ PHE 13 HZ PHE 13 -5.983 -18.019 -6.731
111 H ASN 14 H ASN 14 -9.053 -11.002 -5.519
112 HA ASN 14 HA ASN 14 -9.057 -12.715 -3.262
113 HB2 ASN 14 2HB ASN 14 -9.707 -9.774 -3.532
114 HB3 ASN 14 3HB ASN 14 -9.566 -10.613 -1.990
115 HD21 ASN 14 1HD2 ASN 14 -7.447 -12.012 -1.951
116 HD22 ASN 14 2HD2 ASN 14 -6.020 -11.141 -2.384
117 H PHE 15 H PHE 15 -11.481 -11.958 -5.422
118 HA PHE 15 HA PHE 15 -13.785 -11.510 -4.063
119 HB2 PHE 15 2HB PHE 15 -13.083 -12.695 -6.578
120 HB3 PHE 15 3HB PHE 15 -14.407 -13.608 -5.862
121 HD1 PHE 15 HD2 PHE 15 -13.926 -10.029 -5.237
122 HD2 PHE 15 HD1 PHE 15 -16.015 -12.955 -7.515
123 HE1 PHE 15 HE2 PHE 15 -15.513 -8.306 -5.987
124 HE2 PHE 15 HE1 PHE 15 -17.606 -11.237 -8.269
125 HZ PHE 15 HZ PHE 15 -17.357 -8.909 -7.505
126 H SER 16 H SER 16 -11.915 -14.466 -4.093
127 HA SER 16 HA SER 16 -13.900 -16.083 -2.826
128 HB2 SER 16 2HB SER 16 -11.632 -17.425 -2.292
129 HB3 SER 16 3HB SER 16 -12.416 -17.472 -3.871
130 HG SER 16 HG SER 16 -10.033 -16.322 -3.116
131 H GLN 17 H GLN 17 -11.220 -14.100 -1.721
132 HA GLN 17 HA GLN 17 -11.652 -14.917 1.045
133 HB2 GLN 17 2HB GLN 17 -9.384 -14.226 -0.340
134 HB3 GLN 17 3HB GLN 17 -9.742 -12.749 0.546
135 HG2 GLN 17 2HG GLN 17 -9.834 -14.089 2.632
136 HG3 GLN 17 3HG GLN 17 -9.312 -15.492 1.701
137 HE21 GLN 17 1HE2 GLN 17 -8.393 -12.184 2.533
138 HE22 GLN 17 2HE2 GLN 17 -6.688 -12.461 2.502
139 H ILE 18 H ILE 18 -11.489 -11.856 -0.780
140 HA ILE 18 HA ILE 18 -12.651 -10.331 1.331
141 HB ILE 18 HB ILE 18 -12.770 -8.502 -0.284
142 HG12 ILE 18 2HG1 ILE 18 -11.441 -9.679 -2.521
143 HG13 ILE 18 3HG1 ILE 18 -12.875 -10.636 -2.167
144 HG21 ILE 18 1HG2 ILE 18 -10.325 -10.084 0.155
145 HG22 ILE 18 2HG2 ILE 18 -10.232 -8.864 -1.115
146 HG23 ILE 18 3HG2 ILE 18 -10.669 -8.395 0.528
147 HD11 ILE 18 3HD1 ILE 18 -12.892 -8.487 -3.747
148 HD12 ILE 18 1HD1 ILE 18 -14.285 -8.996 -2.793
149 HD13 ILE 18 2HD1 ILE 18 -13.231 -7.711 -2.201
150 H LEU 19 H LEU 19 -13.976 -12.526 -0.785
151 HA LEU 19 HA LEU 19 -16.185 -11.925 -1.955
152 HB2 LEU 19 2HB LEU 19 -15.555 -14.182 -0.927
153 HB3 LEU 19 3HB LEU 19 -16.521 -13.679 0.458
154 HG LEU 19 HG LEU 19 -18.490 -13.496 -1.029
155 HD11 LEU 19 1HD1 LEU 19 -17.317 -13.072 -3.125
156 HD12 LEU 19 2HD1 LEU 19 -18.392 -14.462 -3.266
157 HD13 LEU 19 3HD1 LEU 19 -16.654 -14.706 -3.093
158 HD21 LEU 19 3HD2 LEU 19 -17.397 -16.241 -1.423
159 HD22 LEU 19 1HD2 LEU 19 -19.001 -15.730 -0.899
160 HD23 LEU 19 2HD2 LEU 19 -17.638 -15.638 0.217
Start of MODEL 4
1 H1 MET 1 H MET 1 4.291 -0.166 -0.101
2 HA MET 1 HA MET 1 1.497 0.285 -0.847
3 HB2 MET 1 2HB MET 1 4.029 0.679 -2.452
4 HB3 MET 1 3HB MET 1 2.406 1.105 -2.980
5 HG2 MET 1 2HG MET 1 3.379 2.256 -0.427
6 HG3 MET 1 3HG MET 1 4.061 2.875 -1.930
7 HE1 MET 1 3HE MET 1 3.422 4.424 -3.086
8 HE2 MET 1 1HE MET 1 1.817 4.562 -3.805
9 HE3 MET 1 2HE MET 1 2.277 5.617 -2.469
10 H TRP 2 H TRP 2 2.180 -2.346 -0.164
11 HA TRP 2 HA TRP 2 2.475 -3.768 -2.700
12 HB2 TRP 2 2HB TRP 2 3.789 -4.488 -0.706
13 HB3 TRP 2 3HB TRP 2 2.276 -4.893 0.101
14 HD1 TRP 2 HD1 TRP 2 1.715 -7.376 -0.037
15 HE1 TRP 2 HE1 TRP 2 2.207 -9.300 -1.674
16 HE3 TRP 2 HE3 TRP 2 4.333 -4.780 -3.579
17 HZ2 TRP 2 HZ2 TRP 2 3.530 -9.669 -4.140
18 HZ3 TRP 2 HZ3 TRP 2 5.178 -5.993 -5.546
19 HH2 TRP 2 HH2 TRP 2 4.784 -8.387 -5.818
20 H LYS 3 H LYS 3 0.098 -2.971 -0.298
21 HA LYS 3 HA LYS 3 -1.827 -4.931 -1.111
22 HB2 LYS 3 2HB LYS 3 -3.396 -3.581 0.288
23 HB3 LYS 3 3HB LYS 3 -1.944 -4.095 1.136
24 HG2 LYS 3 2HG LYS 3 -1.375 -2.001 1.590
25 HG3 LYS 3 3HG LYS 3 -1.569 -1.513 -0.095
26 HD2 LYS 3 2HD LYS 3 -3.177 -0.216 0.906
27 HD3 LYS 3 3HD LYS 3 -4.127 -1.647 0.499
28 HE2 LYS 3 2HE LYS 3 -4.739 -1.524 2.666
29 HE3 LYS 3 3HE LYS 3 -3.211 -2.363 2.927
30 HZ1 LYS 3 3HZ LYS 3 -3.748 0.538 3.206
31 HZ2 LYS 3 1HZ LYS 3 -2.186 -0.111 3.187
32 HZ3 LYS 3 2HZ LYS 3 -3.268 -0.546 4.413
33 H THR 4 H THR 4 -0.951 -1.742 -2.132
34 HA THR 4 HA THR 4 -3.261 -0.800 -3.309
35 HB THR 4 HB THR 4 -1.156 -0.212 -5.117
36 HG1 THR 4 HG1 THR 4 0.555 0.183 -3.828
37 HG21 THR 4 3HG2 THR 4 -1.733 1.924 -4.631
38 HG22 THR 4 1HG2 THR 4 -1.698 1.651 -2.890
39 HG23 THR 4 2HG2 THR 4 -3.099 1.145 -3.833
40 HA PRO 5 HA PRO 5 -2.180 -3.124 -7.399
41 HB2 PRO 5 2HB PRO 5 -0.161 -4.937 -7.318
42 HB3 PRO 5 3HB PRO 5 0.096 -3.230 -7.697
43 HG2 PRO 5 2HG PRO 5 0.499 -4.676 -5.108
44 HG3 PRO 5 3HG PRO 5 1.533 -3.463 -5.884
45 HD2 PRO 5 2HD PRO 5 -0.149 -2.858 -3.850
46 HD3 PRO 5 3HD PRO 5 0.241 -1.704 -5.142
47 H THR 6 H THR 6 -2.179 -4.627 -4.300
48 HA THR 6 HA THR 6 -2.871 -7.264 -5.116
49 HB THR 6 HB THR 6 -3.362 -5.891 -2.466
50 HG1 THR 6 HG1 THR 6 -1.163 -7.181 -3.617
51 HG21 THR 6 3HG2 THR 6 -3.026 -8.657 -2.133
52 HG22 THR 6 1HG2 THR 6 -4.162 -8.467 -3.468
53 HG23 THR 6 2HG2 THR 6 -4.504 -7.722 -1.906
54 H LEU 7 H LEU 7 -4.713 -4.376 -4.314
55 HA LEU 7 HA LEU 7 -7.239 -5.800 -4.563
56 HB2 LEU 7 2HB LEU 7 -6.382 -3.122 -3.626
57 HB3 LEU 7 3HB LEU 7 -8.008 -3.262 -4.291
58 HG LEU 7 HG LEU 7 -8.457 -5.059 -2.612
59 HD11 LEU 7 1HD1 LEU 7 -5.897 -4.114 -1.339
60 HD12 LEU 7 2HD1 LEU 7 -6.052 -5.619 -2.245
61 HD13 LEU 7 3HD1 LEU 7 -6.982 -5.381 -0.765
62 HD21 LEU 7 3HD2 LEU 7 -9.002 -2.583 -2.354
63 HD22 LEU 7 1HD2 LEU 7 -7.609 -2.506 -1.275
64 HD23 LEU 7 2HD2 LEU 7 -8.970 -3.556 -0.883
65 H LYS 8 H LYS 8 -5.067 -4.160 -6.554
66 HA LYS 8 HA LYS 8 -7.073 -3.245 -8.451
67 HB2 LYS 8 2HB LYS 8 -4.880 -2.025 -7.888
68 HB3 LYS 8 3HB LYS 8 -4.095 -3.240 -8.888
69 HG2 LYS 8 2HG LYS 8 -5.108 -2.483 -10.831
70 HG3 LYS 8 3HG LYS 8 -6.392 -1.649 -9.953
71 HD2 LYS 8 2HD LYS 8 -4.824 0.021 -9.173
72 HD3 LYS 8 3HD LYS 8 -3.483 -0.846 -9.926
73 HE2 LYS 8 2HE LYS 8 -4.331 -0.400 -12.113
74 HE3 LYS 8 3HE LYS 8 -5.838 0.240 -11.459
75 HZ1 LYS 8 3HZ LYS 8 -3.453 1.613 -12.001
76 HZ2 LYS 8 1HZ LYS 8 -3.735 1.688 -10.334
77 HZ3 LYS 8 2HZ LYS 8 -4.914 2.235 -11.416
78 H TYR 9 H TYR 9 -4.151 -5.277 -8.731
79 HA TYR 9 HA TYR 9 -5.249 -6.590 -11.064
80 HB2 TYR 9 2HB TYR 9 -2.646 -6.147 -9.993
81 HB3 TYR 9 3HB TYR 9 -2.879 -7.885 -10.148
82 HD1 TYR 9 HD2 TYR 9 -3.055 -4.695 -12.042
83 HD2 TYR 9 HD1 TYR 9 -2.715 -8.931 -12.243
84 HE1 TYR 9 HE2 TYR 9 -2.577 -4.537 -14.450
85 HE2 TYR 9 HE1 TYR 9 -2.235 -8.785 -14.651
86 HH TYR 9 HH TYR 9 -1.751 -5.698 -16.242
87 H PHE 10 H PHE 10 -4.358 -7.473 -7.748
88 HA PHE 10 HA PHE 10 -5.379 -10.165 -8.096
89 HB2 PHE 10 2HB PHE 10 -3.718 -8.759 -6.139
90 HB3 PHE 10 3HB PHE 10 -4.880 -9.856 -5.400
91 HD1 PHE 10 HD1 PHE 10 -4.833 -12.263 -5.964
92 HD2 PHE 10 HD2 PHE 10 -1.832 -9.567 -7.321
93 HE1 PHE 10 HE1 PHE 10 -3.354 -14.165 -6.460
94 HE2 PHE 10 HE2 PHE 10 -0.348 -11.464 -7.820
95 HZ PHE 10 HZ PHE 10 -1.108 -13.767 -7.391
96 H GLY 11 H GLY 11 -6.749 -7.218 -7.533
97 HA2 GLY 11 2HA GLY 11 -8.513 -7.497 -5.434
98 HA3 GLY 11 3HA GLY 11 -8.874 -6.607 -6.906
99 H GLY 12 H GLY 12 -9.355 -8.217 -8.830
100 HA2 GLY 12 2HA GLY 12 -11.811 -9.411 -8.312
101 HA3 GLY 12 3HA GLY 12 -10.818 -9.743 -9.723
102 H PHE 13 H PHE 13 -8.622 -10.692 -7.880
103 HA PHE 13 HA PHE 13 -9.482 -13.445 -7.810
104 HB2 PHE 13 2HB PHE 13 -7.195 -12.735 -8.554
105 HB3 PHE 13 3HB PHE 13 -6.850 -12.277 -6.889
106 HD1 PHE 13 HD2 PHE 13 -7.281 -14.174 -5.116
107 HD2 PHE 13 HD1 PHE 13 -6.597 -14.834 -9.265
108 HE1 PHE 13 HE2 PHE 13 -6.569 -16.478 -4.629
109 HE2 PHE 13 HE1 PHE 13 -5.884 -17.139 -8.784
110 HZ PHE 13 HZ PHE 13 -5.868 -17.964 -6.463
111 H ASN 14 H ASN 14 -8.859 -10.870 -5.526
112 HA ASN 14 HA ASN 14 -8.810 -12.465 -3.185
113 HB2 ASN 14 2HB ASN 14 -9.450 -9.537 -3.587
114 HB3 ASN 14 3HB ASN 14 -9.269 -10.297 -2.009
115 HD21 ASN 14 1HD2 ASN 14 -7.160 -11.706 -1.953
116 HD22 ASN 14 2HD2 ASN 14 -5.740 -10.869 -2.473
117 H PHE 15 H PHE 15 -11.290 -11.801 -5.313
118 HA PHE 15 HA PHE 15 -13.552 -11.266 -3.914
119 HB2 PHE 15 2HB PHE 15 -12.928 -12.584 -6.384
120 HB3 PHE 15 3HB PHE 15 -14.238 -13.449 -5.585
121 HD1 PHE 15 HD1 PHE 15 -13.714 -9.846 -5.159
122 HD2 PHE 15 HD2 PHE 15 -15.889 -12.868 -7.222
123 HE1 PHE 15 HE1 PHE 15 -15.311 -8.151 -5.952
124 HE2 PHE 15 HE2 PHE 15 -17.489 -11.177 -8.019
125 HZ PHE 15 HZ PHE 15 -17.201 -8.815 -7.385
126 H SER 16 H SER 16 -11.702 -14.234 -3.845
127 HA SER 16 HA SER 16 -13.661 -15.768 -2.441
128 HB2 SER 16 2HB SER 16 -12.199 -17.501 -2.651
129 HB3 SER 16 3HB SER 16 -11.425 -16.428 -3.817
130 HG SER 16 HG SER 16 -9.754 -16.445 -2.564
131 H GLN 17 H GLN 17 -10.937 -13.753 -1.514
132 HA GLN 17 HA GLN 17 -11.297 -14.423 1.301
133 HB2 GLN 17 2HB GLN 17 -9.064 -13.821 -0.180
134 HB3 GLN 17 3HB GLN 17 -9.387 -12.298 0.638
135 HG2 GLN 17 2HG GLN 17 -9.657 -14.313 2.576
136 HG3 GLN 17 3HG GLN 17 -8.198 -14.685 1.659
137 HE21 GLN 17 1HE2 GLN 17 -7.139 -12.325 1.059
138 HE22 GLN 17 2HE2 GLN 17 -6.752 -11.426 2.482
139 H ILE 18 H ILE 18 -11.166 -11.461 -0.683
140 HA ILE 18 HA ILE 18 -12.258 -9.821 1.378
141 HB ILE 18 HB ILE 18 -12.411 -8.076 -0.325
142 HG12 ILE 18 2HG1 ILE 18 -11.153 -9.377 -2.534
143 HG13 ILE 18 3HG1 ILE 18 -12.584 -10.303 -2.092
144 HG21 ILE 18 1HG2 ILE 18 -9.968 -9.647 0.141
145 HG22 ILE 18 2HG2 ILE 18 -9.897 -8.516 -1.209
146 HG23 ILE 18 3HG2 ILE 18 -10.287 -7.933 0.409
147 HD11 ILE 18 3HD1 ILE 18 -14.016 -8.603 -2.630
148 HD12 ILE 18 1HD1 ILE 18 -12.805 -7.349 -2.361
149 HD13 ILE 18 2HD1 ILE 18 -12.732 -8.350 -3.812
150 H LEU 19 H LEU 19 -13.656 -12.111 -0.584
151 HA LEU 19 HA LEU 19 -15.893 -11.554 -1.722
152 HB2 LEU 19 2HB LEU 19 -15.249 -13.760 -0.597
153 HB3 LEU 19 3HB LEU 19 -16.173 -13.179 0.787
154 HG LEU 19 HG LEU 19 -18.181 -13.057 -0.652
155 HD11 LEU 19 1HD1 LEU 19 -17.066 -12.750 -2.799
156 HD12 LEU 19 2HD1 LEU 19 -18.153 -14.138 -2.838
157 HD13 LEU 19 3HD1 LEU 19 -16.412 -14.385 -2.701
158 HD21 LEU 19 3HD2 LEU 19 -16.720 -15.647 -0.276
159 HD22 LEU 19 1HD2 LEU 19 -18.325 -15.603 -1.006
160 HD23 LEU 19 2HD2 LEU 19 -18.084 -14.996 0.633
Start of MODEL 5
1 H1 MET 1 H MET 1 1.235 0.823 0.544
2 HA MET 1 HA MET 1 2.432 0.903 -1.850
3 HB2 MET 1 2HB MET 1 3.527 0.874 0.446
4 HB3 MET 1 3HB MET 1 3.527 -0.880 0.321
5 HG2 MET 1 2HG MET 1 5.423 -0.798 -0.802
6 HG3 MET 1 3HG MET 1 4.633 0.137 -2.070
7 HE1 MET 1 3HE MET 1 7.366 1.114 -2.376
8 HE2 MET 1 1HE MET 1 8.199 1.755 -0.959
9 HE3 MET 1 2HE MET 1 7.690 0.067 -0.994
10 H TRP 2 H TRP 2 2.181 -2.233 -0.168
11 HA TRP 2 HA TRP 2 2.351 -3.593 -2.740
12 HB2 TRP 2 2HB TRP 2 3.599 -4.214 -0.507
13 HB3 TRP 2 3HB TRP 2 2.089 -5.040 -0.133
14 HD1 TRP 2 HD1 TRP 2 1.725 -7.375 -1.195
15 HE1 TRP 2 HE1 TRP 2 3.057 -8.842 -2.838
16 HE3 TRP 2 HE3 TRP 2 5.237 -3.963 -2.665
17 HZ2 TRP 2 HZ2 TRP 2 5.301 -8.587 -4.532
18 HZ3 TRP 2 HZ3 TRP 2 6.941 -4.655 -4.299
19 HH2 TRP 2 HH2 TRP 2 6.971 -6.919 -5.212
20 H LYS 3 H LYS 3 0.048 -2.858 -0.253
21 HA LYS 3 HA LYS 3 -1.886 -4.822 -1.049
22 HB2 LYS 3 2HB LYS 3 -3.369 -3.736 0.521
23 HB3 LYS 3 3HB LYS 3 -1.776 -3.897 1.249
24 HG2 LYS 3 2HG LYS 3 -2.141 -1.752 1.820
25 HG3 LYS 3 3HG LYS 3 -1.535 -1.445 0.191
26 HD2 LYS 3 2HD LYS 3 -4.099 -1.798 -0.411
27 HD3 LYS 3 3HD LYS 3 -4.301 -1.272 1.262
28 HE2 LYS 3 2HE LYS 3 -3.117 0.771 0.819
29 HE3 LYS 3 3HE LYS 3 -2.700 0.227 -0.806
30 HZ1 LYS 3 3HZ LYS 3 -4.879 0.478 -1.530
31 HZ2 LYS 3 1HZ LYS 3 -4.645 1.832 -0.544
32 HZ3 LYS 3 2HZ LYS 3 -5.517 0.504 0.036
33 H THR 4 H THR 4 -1.074 -1.593 -1.998
34 HA THR 4 HA THR 4 -3.436 -0.643 -3.066
35 HB THR 4 HB THR 4 -1.409 0.046 -4.920
36 HG1 THR 4 HG1 THR 4 -0.461 0.250 -2.245
37 HG21 THR 4 3HG2 THR 4 -1.789 2.210 -4.157
38 HG22 THR 4 1HG2 THR 4 -2.083 1.682 -2.501
39 HG23 THR 4 2HG2 THR 4 -3.295 1.389 -3.748
40 HA PRO 5 HA PRO 5 -2.453 -2.811 -7.266
41 HB2 PRO 5 2HB PRO 5 -0.407 -4.595 -7.310
42 HB3 PRO 5 3HB PRO 5 -0.186 -2.872 -7.637
43 HG2 PRO 5 2HG PRO 5 0.318 -4.400 -5.113
44 HG3 PRO 5 3HG PRO 5 1.311 -3.146 -5.879
45 HD2 PRO 5 2HD PRO 5 -0.314 -2.635 -3.774
46 HD3 PRO 5 3HD PRO 5 0.018 -1.433 -5.037
47 H THR 6 H THR 6 -2.307 -4.433 -4.224
48 HA THR 6 HA THR 6 -2.972 -7.050 -5.086
49 HB THR 6 HB THR 6 -3.462 -5.729 -2.409
50 HG1 THR 6 HG1 THR 6 -1.352 -7.391 -3.370
51 HG21 THR 6 3HG2 THR 6 -3.586 -8.041 -1.549
52 HG22 THR 6 1HG2 THR 6 -3.515 -8.643 -3.204
53 HG23 THR 6 2HG2 THR 6 -4.892 -7.675 -2.676
54 H LEU 7 H LEU 7 -4.880 -4.223 -4.231
55 HA LEU 7 HA LEU 7 -7.372 -5.705 -4.489
56 HB2 LEU 7 2HB LEU 7 -6.539 -3.113 -3.399
57 HB3 LEU 7 3HB LEU 7 -8.094 -3.091 -4.229
58 HG LEU 7 HG LEU 7 -8.331 -3.411 -1.809
59 HD11 LEU 7 1HD1 LEU 7 -10.163 -4.582 -2.242
60 HD12 LEU 7 2HD1 LEU 7 -9.220 -6.039 -2.548
61 HD13 LEU 7 3HD1 LEU 7 -9.527 -4.898 -3.856
62 HD21 LEU 7 3HD2 LEU 7 -6.206 -4.598 -1.438
63 HD22 LEU 7 1HD2 LEU 7 -6.871 -6.012 -2.257
64 HD23 LEU 7 2HD2 LEU 7 -7.584 -5.454 -0.743
65 H LYS 8 H LYS 8 -5.249 -3.984 -6.467
66 HA LYS 8 HA LYS 8 -7.286 -3.092 -8.341
67 HB2 LYS 8 2HB LYS 8 -5.203 -1.760 -7.821
68 HB3 LYS 8 3HB LYS 8 -4.287 -2.993 -8.676
69 HG2 LYS 8 2HG LYS 8 -5.056 -2.348 -10.722
70 HG3 LYS 8 3HG LYS 8 -6.581 -1.734 -10.079
71 HD2 LYS 8 2HD LYS 8 -4.855 -0.038 -8.896
72 HD3 LYS 8 3HD LYS 8 -3.966 -0.395 -10.379
73 HE2 LYS 8 2HE LYS 8 -5.583 0.538 -11.729
74 HE3 LYS 8 3HE LYS 8 -6.866 0.285 -10.547
75 HZ1 LYS 8 3HZ LYS 8 -5.555 2.628 -11.017
76 HZ2 LYS 8 1HZ LYS 8 -4.837 2.061 -9.593
77 HZ3 LYS 8 2HZ LYS 8 -6.513 2.281 -9.666
78 H TYR 9 H TYR 9 -4.317 -5.049 -8.663
79 HA TYR 9 HA TYR 9 -5.395 -6.355 -11.009
80 HB2 TYR 9 2HB TYR 9 -2.819 -5.784 -10.062
81 HB3 TYR 9 3HB TYR 9 -2.954 -7.538 -9.999
82 HD1 TYR 9 HD2 TYR 9 -3.843 -4.762 -12.348
83 HD2 TYR 9 HD1 TYR 9 -2.259 -8.682 -11.870
84 HE1 TYR 9 HE2 TYR 9 -3.413 -4.877 -14.767
85 HE2 TYR 9 HE1 TYR 9 -1.823 -8.807 -14.287
86 HH TYR 9 HH TYR 9 -1.472 -7.279 -16.176
87 H PHE 10 H PHE 10 -4.467 -7.262 -7.710
88 HA PHE 10 HA PHE 10 -5.423 -9.973 -8.092
89 HB2 PHE 10 2HB PHE 10 -3.791 -8.553 -6.120
90 HB3 PHE 10 3HB PHE 10 -4.919 -9.694 -5.396
91 HD1 PHE 10 HD2 PHE 10 -4.818 -12.090 -6.024
92 HD2 PHE 10 HD1 PHE 10 -1.880 -9.288 -7.300
93 HE1 PHE 10 HE2 PHE 10 -3.289 -13.942 -6.558
94 HE2 PHE 10 HE1 PHE 10 -0.346 -11.135 -7.837
95 HZ PHE 10 HZ PHE 10 -1.049 -13.466 -7.465
96 H GLY 11 H GLY 11 -6.861 -7.069 -7.481
97 HA2 GLY 11 2HA GLY 11 -8.609 -7.420 -5.379
98 HA3 GLY 11 3HA GLY 11 -8.998 -6.518 -6.836
99 H GLY 12 H GLY 12 -9.452 -8.108 -8.781
100 HA2 GLY 12 2HA GLY 12 -11.874 -9.370 -8.269
101 HA3 GLY 12 3HA GLY 12 -10.881 -9.657 -9.690
102 H PHE 13 H PHE 13 -8.653 -10.580 -7.873
103 HA PHE 13 HA PHE 13 -9.446 -13.354 -7.840
104 HB2 PHE 13 2HB PHE 13 -7.181 -12.578 -8.583
105 HB3 PHE 13 3HB PHE 13 -6.839 -12.136 -6.914
106 HD1 PHE 13 HD2 PHE 13 -7.215 -14.069 -5.167
107 HD2 PHE 13 HD1 PHE 13 -6.536 -14.651 -9.328
108 HE1 PHE 13 HE2 PHE 13 -6.444 -16.362 -4.717
109 HE2 PHE 13 HE1 PHE 13 -5.765 -16.945 -8.885
110 HZ PHE 13 HZ PHE 13 -5.717 -17.803 -6.577
111 H ASN 14 H ASN 14 -8.875 -10.798 -5.520
112 HA ASN 14 HA ASN 14 -8.775 -12.426 -3.204
113 HB2 ASN 14 2HB ASN 14 -9.488 -9.509 -3.559
114 HB3 ASN 14 3HB ASN 14 -9.282 -10.288 -1.993
115 HD21 ASN 14 1HD2 ASN 14 -7.138 -11.648 -1.972
116 HD22 ASN 14 2HD2 ASN 14 -5.741 -10.768 -2.483
117 H PHE 15 H PHE 15 -11.281 -11.792 -5.310
118 HA PHE 15 HA PHE 15 -13.548 -11.334 -3.894
119 HB2 PHE 15 2HB PHE 15 -12.905 -12.601 -6.385
120 HB3 PHE 15 3HB PHE 15 -14.189 -13.509 -5.593
121 HD1 PHE 15 HD1 PHE 15 -13.751 -9.901 -5.117
122 HD2 PHE 15 HD2 PHE 15 -15.861 -12.945 -7.214
123 HE1 PHE 15 HE1 PHE 15 -15.393 -8.234 -5.878
124 HE2 PHE 15 HE2 PHE 15 -17.506 -11.283 -7.979
125 HZ PHE 15 HZ PHE 15 -17.273 -8.924 -7.312
126 H SER 16 H SER 16 -11.626 -14.256 -3.876
127 HA SER 16 HA SER 16 -13.539 -15.859 -2.485
128 HB2 SER 16 2HB SER 16 -11.923 -17.047 -3.752
129 HB3 SER 16 3HB SER 16 -10.585 -16.159 -3.023
130 HG SER 16 HG SER 16 -11.679 -18.442 -2.216
131 H GLN 17 H GLN 17 -10.862 -13.790 -1.542
132 HA GLN 17 HA GLN 17 -11.191 -14.509 1.265
133 HB2 GLN 17 2HB GLN 17 -8.981 -13.832 -0.217
134 HB3 GLN 17 3HB GLN 17 -9.338 -12.328 0.623
135 HG2 GLN 17 2HG GLN 17 -9.526 -14.482 2.477
136 HG3 GLN 17 3HG GLN 17 -8.001 -14.608 1.600
137 HE21 GLN 17 1HE2 GLN 17 -7.011 -12.278 1.276
138 HE22 GLN 17 2HE2 GLN 17 -6.872 -11.369 2.738
139 H ILE 18 H ILE 18 -11.143 -11.517 -0.677
140 HA ILE 18 HA ILE 18 -12.264 -9.933 1.413
141 HB ILE 18 HB ILE 18 -12.468 -8.169 -0.264
142 HG12 ILE 18 2HG1 ILE 18 -11.190 -9.405 -2.497
143 HG13 ILE 18 3HG1 ILE 18 -12.594 -10.374 -2.062
144 HG21 ILE 18 1HG2 ILE 18 -10.345 -7.970 0.447
145 HG22 ILE 18 2HG2 ILE 18 -9.991 -9.678 0.189
146 HG23 ILE 18 3HG2 ILE 18 -9.944 -8.554 -1.168
147 HD11 ILE 18 3HD1 ILE 18 -14.072 -8.640 -2.478
148 HD12 ILE 18 1HD1 ILE 18 -12.815 -7.409 -2.364
149 HD13 ILE 18 2HD1 ILE 18 -12.878 -8.479 -3.765
150 H LEU 19 H LEU 19 -13.615 -12.229 -0.575
151 HA LEU 19 HA LEU 19 -15.871 -11.710 -1.695
152 HB2 LEU 19 2HB LEU 19 -15.167 -13.916 -0.605
153 HB3 LEU 19 3HB LEU 19 -16.099 -13.378 0.792
154 HG LEU 19 HG LEU 19 -18.116 -13.285 -0.636
155 HD11 LEU 19 1HD1 LEU 19 -17.019 -12.920 -2.784
156 HD12 LEU 19 2HD1 LEU 19 -18.072 -14.333 -2.838
157 HD13 LEU 19 3HD1 LEU 19 -16.325 -14.540 -2.712
158 HD21 LEU 19 3HD2 LEU 19 -18.107 -15.243 0.542
159 HD22 LEU 19 1HD2 LEU 19 -16.580 -15.786 -0.154
160 HD23 LEU 19 2HD2 LEU 19 -18.065 -15.882 -1.102
Start of MODEL 6
1 H1 MET 1 H MET 1 3.383 0.759 0.268
2 HA MET 1 HA MET 1 0.973 0.586 -1.036
3 HB2 MET 1 2HB MET 1 2.084 1.431 -3.000
4 HB3 MET 1 3HB MET 1 2.805 2.180 -1.582
5 HG2 MET 1 2HG MET 1 4.805 1.487 -2.203
6 HG3 MET 1 3HG MET 1 4.256 -0.187 -2.181
7 HE1 MET 1 3HE MET 1 5.927 1.815 -5.620
8 HE2 MET 1 1HE MET 1 5.990 2.240 -3.909
9 HE3 MET 1 2HE MET 1 6.590 0.672 -4.451
10 H TRP 2 H TRP 2 1.704 -2.045 -0.169
11 HA TRP 2 HA TRP 2 2.167 -3.522 -2.647
12 HB2 TRP 2 2HB TRP 2 2.407 -4.119 0.242
13 HB3 TRP 2 3HB TRP 2 1.876 -5.454 -0.776
14 HD1 TRP 2 HD1 TRP 2 4.366 -2.927 -2.172
15 HE1 TRP 2 HE1 TRP 2 6.641 -4.091 -2.488
16 HE3 TRP 2 HE3 TRP 2 3.337 -7.365 0.148
17 HZ2 TRP 2 HZ2 TRP 2 7.839 -6.563 -1.840
18 HZ3 TRP 2 HZ3 TRP 2 5.102 -9.076 0.256
19 HH2 TRP 2 HH2 TRP 2 7.305 -8.682 -0.718
20 H LYS 3 H LYS 3 -0.347 -2.746 -0.380
21 HA LYS 3 HA LYS 3 -2.170 -4.782 -1.244
22 HB2 LYS 3 2HB LYS 3 -3.841 -3.489 0.067
23 HB3 LYS 3 3HB LYS 3 -2.397 -3.894 0.985
24 HG2 LYS 3 2HG LYS 3 -1.547 -1.647 0.708
25 HG3 LYS 3 3HG LYS 3 -2.927 -1.227 -0.309
26 HD2 LYS 3 2HD LYS 3 -3.527 -2.326 2.374
27 HD3 LYS 3 3HD LYS 3 -2.835 -0.703 2.314
28 HE2 LYS 3 2HE LYS 3 -5.107 -1.381 0.506
29 HE3 LYS 3 3HE LYS 3 -5.435 -1.072 2.210
30 HZ1 LYS 3 3HZ LYS 3 -5.371 0.843 0.394
31 HZ2 LYS 3 1HZ LYS 3 -3.737 0.855 0.835
32 HZ3 LYS 3 2HZ LYS 3 -4.931 1.106 2.006
33 H THR 4 H THR 4 -1.348 -1.581 -2.276
34 HA THR 4 HA THR 4 -3.629 -0.734 -3.577
35 HB THR 4 HB THR 4 -1.455 -0.107 -5.290
36 HG1 THR 4 HG1 THR 4 0.187 0.307 -3.947
37 HG21 THR 4 3HG2 THR 4 -2.128 2.017 -4.877
38 HG22 THR 4 1HG2 THR 4 -2.179 1.776 -3.132
39 HG23 THR 4 2HG2 THR 4 -3.508 1.204 -4.140
40 HA PRO 5 HA PRO 5 -2.278 -3.081 -7.573
41 HB2 PRO 5 2HB PRO 5 -0.206 -4.824 -7.366
42 HB3 PRO 5 3HB PRO 5 0.012 -3.115 -7.760
43 HG2 PRO 5 2HG PRO 5 0.338 -4.509 -5.131
44 HG3 PRO 5 3HG PRO 5 1.368 -3.273 -5.877
45 HD2 PRO 5 2HD PRO 5 -0.429 -2.695 -3.935
46 HD3 PRO 5 3HD PRO 5 -0.016 -1.548 -5.227
47 H THR 6 H THR 6 -2.309 -4.574 -4.453
48 HA THR 6 HA THR 6 -2.969 -7.215 -5.331
49 HB THR 6 HB THR 6 -3.356 -5.928 -2.621
50 HG1 THR 6 HG1 THR 6 -1.140 -6.258 -3.609
51 HG21 THR 6 3HG2 THR 6 -3.850 -8.668 -3.663
52 HG22 THR 6 1HG2 THR 6 -4.705 -7.763 -2.415
53 HG23 THR 6 2HG2 THR 6 -3.151 -8.515 -2.051
54 H LEU 7 H LEU 7 -4.792 -4.362 -4.389
55 HA LEU 7 HA LEU 7 -7.319 -5.795 -4.568
56 HB2 LEU 7 2HB LEU 7 -6.567 -2.985 -3.821
57 HB3 LEU 7 3HB LEU 7 -8.244 -3.465 -4.073
58 HG LEU 7 HG LEU 7 -6.460 -4.821 -2.065
59 HD11 LEU 7 1HD1 LEU 7 -7.272 -3.383 -0.367
60 HD12 LEU 7 2HD1 LEU 7 -8.400 -2.599 -1.473
61 HD13 LEU 7 3HD1 LEU 7 -6.665 -2.345 -1.658
62 HD21 LEU 7 3HD2 LEU 7 -8.478 -5.658 -1.150
63 HD22 LEU 7 1HD2 LEU 7 -8.573 -5.920 -2.892
64 HD23 LEU 7 2HD2 LEU 7 -9.460 -4.587 -2.151
65 H LYS 8 H LYS 8 -5.235 -4.100 -6.608
66 HA LYS 8 HA LYS 8 -7.319 -3.159 -8.405
67 HB2 LYS 8 2HB LYS 8 -5.149 -1.905 -7.923
68 HB3 LYS 8 3HB LYS 8 -4.346 -3.121 -8.907
69 HG2 LYS 8 2HG LYS 8 -5.095 -2.245 -10.830
70 HG3 LYS 8 3HG LYS 8 -6.686 -1.874 -10.162
71 HD2 LYS 8 2HD LYS 8 -5.929 0.254 -10.402
72 HD3 LYS 8 3HD LYS 8 -5.240 -0.080 -8.811
73 HE2 LYS 8 2HE LYS 8 -3.523 -0.965 -10.984
74 HE3 LYS 8 3HE LYS 8 -3.862 0.763 -11.053
75 HZ1 LYS 8 3HZ LYS 8 -1.960 -0.392 -9.522
76 HZ2 LYS 8 1HZ LYS 8 -3.221 -0.183 -8.414
77 HZ3 LYS 8 2HZ LYS 8 -2.612 1.147 -9.262
78 H TYR 9 H TYR 9 -4.399 -5.167 -8.841
79 HA TYR 9 HA TYR 9 -5.580 -6.437 -11.157
80 HB2 TYR 9 2HB TYR 9 -2.945 -5.981 -10.205
81 HB3 TYR 9 3HB TYR 9 -3.160 -7.723 -10.332
82 HD1 TYR 9 HD2 TYR 9 -3.104 -4.557 -12.195
83 HD2 TYR 9 HD1 TYR 9 -3.425 -8.790 -12.476
84 HE1 TYR 9 HE2 TYR 9 -2.730 -4.418 -14.622
85 HE2 TYR 9 HE1 TYR 9 -3.051 -8.663 -14.904
86 HH TYR 9 HH TYR 9 -3.477 -6.650 -16.729
87 H PHE 10 H PHE 10 -4.557 -7.383 -7.898
88 HA PHE 10 HA PHE 10 -5.576 -10.074 -8.262
89 HB2 PHE 10 2HB PHE 10 -3.845 -8.700 -6.345
90 HB3 PHE 10 3HB PHE 10 -4.974 -9.814 -5.581
91 HD1 PHE 10 HD1 PHE 10 -4.935 -12.210 -6.172
92 HD2 PHE 10 HD2 PHE 10 -2.014 -9.481 -7.634
93 HE1 PHE 10 HE1 PHE 10 -3.471 -14.097 -6.762
94 HE2 PHE 10 HE2 PHE 10 -0.546 -11.364 -8.227
95 HZ PHE 10 HZ PHE 10 -1.274 -13.676 -7.792
96 H GLY 11 H GLY 11 -6.938 -7.148 -7.584
97 HA2 GLY 11 2HA GLY 11 -8.618 -7.481 -5.425
98 HA3 GLY 11 3HA GLY 11 -9.040 -6.562 -6.863
99 H GLY 12 H GLY 12 -9.588 -8.134 -8.801
100 HA2 GLY 12 2HA GLY 12 -12.015 -9.354 -8.213
101 HA3 GLY 12 3HA GLY 12 -11.076 -9.651 -9.669
102 H PHE 13 H PHE 13 -8.806 -10.625 -7.933
103 HA PHE 13 HA PHE 13 -9.649 -13.384 -7.887
104 HB2 PHE 13 2HB PHE 13 -7.396 -12.646 -8.703
105 HB3 PHE 13 3HB PHE 13 -6.989 -12.219 -7.045
106 HD1 PHE 13 HD2 PHE 13 -7.341 -14.155 -5.295
107 HD2 PHE 13 HD1 PHE 13 -6.816 -14.726 -9.480
108 HE1 PHE 13 HE2 PHE 13 -6.598 -16.464 -4.883
109 HE2 PHE 13 HE1 PHE 13 -6.073 -17.037 -9.075
110 HZ PHE 13 HZ PHE 13 -5.962 -17.908 -6.774
111 H ASN 14 H ASN 14 -8.950 -10.852 -5.575
112 HA ASN 14 HA ASN 14 -8.802 -12.495 -3.271
113 HB2 ASN 14 2HB ASN 14 -9.471 -9.563 -3.588
114 HB3 ASN 14 3HB ASN 14 -9.226 -10.354 -2.034
115 HD21 ASN 14 1HD2 ASN 14 -7.109 -11.753 -2.090
116 HD22 ASN 14 2HD2 ASN 14 -5.714 -10.898 -2.646
117 H PHE 15 H PHE 15 -11.366 -11.801 -5.287
118 HA PHE 15 HA PHE 15 -13.574 -11.309 -3.791
119 HB2 PHE 15 2HB PHE 15 -13.041 -12.572 -6.310
120 HB3 PHE 15 3HB PHE 15 -14.314 -13.460 -5.479
121 HD1 PHE 15 HD2 PHE 15 -13.794 -9.865 -4.998
122 HD2 PHE 15 HD1 PHE 15 -16.029 -12.856 -7.039
123 HE1 PHE 15 HE2 PHE 15 -15.429 -8.163 -5.693
124 HE2 PHE 15 HE1 PHE 15 -17.668 -11.160 -7.739
125 HZ PHE 15 HZ PHE 15 -17.370 -8.810 -7.065
126 H SER 16 H SER 16 -11.709 -14.267 -3.854
127 HA SER 16 HA SER 16 -13.603 -15.841 -2.408
128 HB2 SER 16 2HB SER 16 -11.680 -17.421 -2.130
129 HB3 SER 16 3HB SER 16 -11.981 -16.960 -3.806
130 HG SER 16 HG SER 16 -10.011 -15.840 -2.094
131 H GLN 17 H GLN 17 -10.856 -13.829 -1.546
132 HA GLN 17 HA GLN 17 -11.102 -14.559 1.267
133 HB2 GLN 17 2HB GLN 17 -8.932 -13.914 -0.288
134 HB3 GLN 17 3HB GLN 17 -9.231 -12.410 0.573
135 HG2 GLN 17 2HG GLN 17 -9.105 -13.591 2.700
136 HG3 GLN 17 3HG GLN 17 -8.828 -15.108 1.846
137 HE21 GLN 17 1HE2 GLN 17 -7.526 -11.803 1.880
138 HE22 GLN 17 2HE2 GLN 17 -5.865 -12.275 1.844
139 H ILE 18 H ILE 18 -11.064 -11.556 -0.660
140 HA ILE 18 HA ILE 18 -12.082 -9.965 1.476
141 HB ILE 18 HB ILE 18 -12.310 -8.186 -0.183
142 HG12 ILE 18 2HG1 ILE 18 -11.133 -9.434 -2.466
143 HG13 ILE 18 3HG1 ILE 18 -12.540 -10.378 -1.988
144 HG21 ILE 18 1HG2 ILE 18 -9.849 -8.494 -1.150
145 HG22 ILE 18 2HG2 ILE 18 -10.160 -8.117 0.544
146 HG23 ILE 18 3HG2 ILE 18 -9.824 -9.779 0.058
147 HD11 ILE 18 3HD1 ILE 18 -12.792 -7.422 -2.180
148 HD12 ILE 18 1HD1 ILE 18 -12.758 -8.382 -3.659
149 HD13 ILE 18 2HD1 ILE 18 -14.000 -8.679 -2.442
150 H LEU 19 H LEU 19 -13.544 -12.222 -0.477
151 HA LEU 19 HA LEU 19 -15.827 -11.654 -1.516
152 HB2 LEU 19 2HB LEU 19 -15.129 -13.879 -0.462
153 HB3 LEU 19 3HB LEU 19 -16.001 -13.332 0.968
154 HG LEU 19 HG LEU 19 -18.064 -13.192 -0.388
155 HD11 LEU 19 1HD1 LEU 19 -17.035 -12.834 -2.570
156 HD12 LEU 19 2HD1 LEU 19 -18.116 -14.227 -2.596
157 HD13 LEU 19 3HD1 LEU 19 -16.371 -14.468 -2.532
158 HD21 LEU 19 3HD2 LEU 19 -18.556 -15.341 0.055
159 HD22 LEU 19 1HD2 LEU 19 -16.941 -15.370 0.763
160 HD23 LEU 19 2HD2 LEU 19 -17.193 -15.957 -0.881
Start of MODEL 7
1 H1 MET 1 H MET 1 3.226 1.027 0.282
2 HA MET 1 HA MET 1 1.200 0.875 -1.434
3 HB2 MET 1 2HB MET 1 2.735 1.429 -3.280
4 HB3 MET 1 3HB MET 1 3.106 2.337 -1.821
5 HG2 MET 1 2HG MET 1 5.068 1.202 -1.447
6 HG3 MET 1 3HG MET 1 4.546 -0.213 -2.357
7 HE1 MET 1 3HE MET 1 6.758 -0.453 -4.197
8 HE2 MET 1 1HE MET 1 7.725 1.022 -4.208
9 HE3 MET 1 2HE MET 1 7.194 0.329 -2.676
10 H TRP 2 H TRP 2 1.856 -1.817 -0.361
11 HA TRP 2 HA TRP 2 2.278 -3.346 -2.821
12 HB2 TRP 2 2HB TRP 2 2.988 -3.751 -0.096
13 HB3 TRP 2 3HB TRP 2 1.877 -5.038 -0.555
14 HD1 TRP 2 HD1 TRP 2 5.046 -3.407 -2.122
15 HE1 TRP 2 HE1 TRP 2 6.479 -5.293 -3.130
16 HE3 TRP 2 HE3 TRP 2 2.024 -7.387 -1.045
17 HZ2 TRP 2 HZ2 TRP 2 6.346 -8.096 -3.429
18 HZ3 TRP 2 HZ3 TRP 2 2.750 -9.637 -1.727
19 HH2 TRP 2 HH2 TRP 2 4.866 -9.982 -2.895
20 H LYS 3 H LYS 3 -0.163 -2.515 -0.495
21 HA LYS 3 HA LYS 3 -2.016 -4.566 -1.252
22 HB2 LYS 3 2HB LYS 3 -3.627 -3.316 0.110
23 HB3 LYS 3 3HB LYS 3 -2.108 -3.544 0.967
24 HG2 LYS 3 2HG LYS 3 -1.455 -1.246 0.358
25 HG3 LYS 3 3HG LYS 3 -3.029 -1.029 -0.410
26 HD2 LYS 3 2HD LYS 3 -4.162 -1.060 1.611
27 HD3 LYS 3 3HD LYS 3 -2.866 -1.925 2.440
28 HE2 LYS 3 2HE LYS 3 -1.492 0.235 1.933
29 HE3 LYS 3 3HE LYS 3 -3.081 0.976 1.752
30 HZ1 LYS 3 3HZ LYS 3 -1.834 0.837 4.068
31 HZ2 LYS 3 1HZ LYS 3 -2.644 -0.646 4.135
32 HZ3 LYS 3 2HZ LYS 3 -3.521 0.788 3.948
33 H THR 4 H THR 4 -1.218 -1.397 -2.397
34 HA THR 4 HA THR 4 -3.533 -0.581 -3.655
35 HB THR 4 HB THR 4 -1.415 -0.006 -5.451
36 HG1 THR 4 HG1 THR 4 0.269 0.464 -4.165
37 HG21 THR 4 3HG2 THR 4 -2.983 1.464 -3.377
38 HG22 THR 4 1HG2 THR 4 -2.949 1.686 -5.126
39 HG23 THR 4 2HG2 THR 4 -1.605 2.258 -4.138
40 HA PRO 5 HA PRO 5 -2.306 -3.046 -7.620
41 HB2 PRO 5 2HB PRO 5 -0.234 -4.789 -7.424
42 HB3 PRO 5 3HB PRO 5 -0.023 -3.093 -7.873
43 HG2 PRO 5 2HG PRO 5 0.377 -4.412 -5.216
44 HG3 PRO 5 3HG PRO 5 1.387 -3.201 -6.027
45 HD2 PRO 5 2HD PRO 5 -0.349 -2.561 -4.051
46 HD3 PRO 5 3HD PRO 5 0.028 -1.454 -5.386
47 H THR 6 H THR 6 -2.301 -4.419 -4.457
48 HA THR 6 HA THR 6 -2.918 -7.104 -5.184
49 HB THR 6 HB THR 6 -3.452 -5.662 -2.580
50 HG1 THR 6 HG1 THR 6 -1.231 -7.082 -3.610
51 HG21 THR 6 3HG2 THR 6 -3.078 -8.304 -1.987
52 HG22 THR 6 1HG2 THR 6 -3.973 -8.395 -3.504
53 HG23 THR 6 2HG2 THR 6 -4.648 -7.514 -2.133
54 H LEU 7 H LEU 7 -4.836 -4.246 -4.438
55 HA LEU 7 HA LEU 7 -7.322 -5.743 -4.667
56 HB2 LEU 7 2HB LEU 7 -6.506 -3.373 -3.358
57 HB3 LEU 7 3HB LEU 7 -7.732 -2.920 -4.540
58 HG LEU 7 HG LEU 7 -8.709 -3.321 -2.341
59 HD11 LEU 7 1HD1 LEU 7 -9.626 -5.662 -3.920
60 HD12 LEU 7 2HD1 LEU 7 -9.743 -4.065 -4.657
61 HD13 LEU 7 3HD1 LEU 7 -10.559 -4.392 -3.128
62 HD21 LEU 7 3HD2 LEU 7 -6.867 -5.206 -1.957
63 HD22 LEU 7 1HD2 LEU 7 -8.195 -6.234 -2.495
64 HD23 LEU 7 2HD2 LEU 7 -8.403 -5.190 -1.089
65 H LYS 8 H LYS 8 -5.195 -4.071 -6.682
66 HA LYS 8 HA LYS 8 -7.225 -3.238 -8.590
67 HB2 LYS 8 2HB LYS 8 -5.034 -1.977 -8.028
68 HB3 LYS 8 3HB LYS 8 -4.259 -3.163 -9.070
69 HG2 LYS 8 2HG LYS 8 -4.652 -1.529 -10.594
70 HG3 LYS 8 3HG LYS 8 -6.170 -2.418 -10.737
71 HD2 LYS 8 2HD LYS 8 -7.104 -0.394 -10.417
72 HD3 LYS 8 3HD LYS 8 -6.765 -0.715 -8.715
73 HE2 LYS 8 2HE LYS 8 -4.415 0.349 -9.908
74 HE3 LYS 8 3HE LYS 8 -5.773 1.378 -10.358
75 HZ1 LYS 8 3HZ LYS 8 -5.301 0.539 -7.561
76 HZ2 LYS 8 1HZ LYS 8 -6.272 1.803 -8.126
77 HZ3 LYS 8 2HZ LYS 8 -4.588 1.927 -8.212
78 H TYR 9 H TYR 9 -4.249 -5.194 -8.842
79 HA TYR 9 HA TYR 9 -5.311 -6.568 -11.157
80 HB2 TYR 9 2HB TYR 9 -2.713 -6.079 -10.042
81 HB3 TYR 9 3HB TYR 9 -2.922 -7.811 -10.282
82 HD1 TYR 9 HD1 TYR 9 -3.569 -8.641 -12.582
83 HD2 TYR 9 HD2 TYR 9 -2.291 -4.647 -11.863
84 HE1 TYR 9 HE1 TYR 9 -3.080 -8.373 -14.977
85 HE2 TYR 9 HE2 TYR 9 -1.800 -4.368 -14.257
86 HH TYR 9 HH TYR 9 -1.469 -5.519 -16.215
87 H PHE 10 H PHE 10 -4.396 -7.380 -7.829
88 HA PHE 10 HA PHE 10 -5.343 -10.103 -8.140
89 HB2 PHE 10 2HB PHE 10 -3.722 -8.625 -6.202
90 HB3 PHE 10 3HB PHE 10 -4.853 -9.744 -5.449
91 HD1 PHE 10 HD2 PHE 10 -4.742 -12.157 -5.984
92 HD2 PHE 10 HD1 PHE 10 -1.813 -9.397 -7.371
93 HE1 PHE 10 HE2 PHE 10 -3.210 -14.024 -6.456
94 HE2 PHE 10 HE1 PHE 10 -0.277 -11.259 -7.845
95 HZ PHE 10 HZ PHE 10 -0.974 -13.576 -7.387
96 H GLY 11 H GLY 11 -6.793 -7.188 -7.617
97 HA2 GLY 11 2HA GLY 11 -8.549 -7.486 -5.514
98 HA3 GLY 11 3HA GLY 11 -8.934 -6.625 -6.997
99 H GLY 12 H GLY 12 -9.374 -8.270 -8.900
100 HA2 GLY 12 2HA GLY 12 -11.795 -9.525 -8.364
101 HA3 GLY 12 3HA GLY 12 -10.794 -9.848 -9.772
102 H PHE 13 H PHE 13 -8.573 -10.714 -7.919
103 HA PHE 13 HA PHE 13 -9.358 -13.488 -7.813
104 HB2 PHE 13 2HB PHE 13 -7.091 -12.727 -8.566
105 HB3 PHE 13 3HB PHE 13 -6.759 -12.237 -6.908
106 HD1 PHE 13 HD2 PHE 13 -7.138 -14.122 -5.110
107 HD2 PHE 13 HD1 PHE 13 -6.437 -14.817 -9.250
108 HE1 PHE 13 HE2 PHE 13 -6.363 -16.399 -4.593
109 HE2 PHE 13 HE1 PHE 13 -5.662 -17.096 -8.740
110 HZ PHE 13 HZ PHE 13 -5.623 -17.889 -6.409
111 H ASN 14 H ASN 14 -8.805 -10.867 -5.562
112 HA ASN 14 HA ASN 14 -8.712 -12.430 -3.201
113 HB2 ASN 14 2HB ASN 14 -9.431 -9.526 -3.641
114 HB3 ASN 14 3HB ASN 14 -9.230 -10.260 -2.053
115 HD21 ASN 14 1HD2 ASN 14 -7.083 -11.613 -1.985
116 HD22 ASN 14 2HD2 ASN 14 -5.686 -10.744 -2.513
117 H PHE 15 H PHE 15 -11.209 -11.861 -5.335
118 HA PHE 15 HA PHE 15 -13.485 -11.370 -3.943
119 HB2 PHE 15 2HB PHE 15 -12.826 -12.704 -6.395
120 HB3 PHE 15 3HB PHE 15 -14.111 -13.593 -5.584
121 HD1 PHE 15 HD2 PHE 15 -13.688 -9.972 -5.206
122 HD2 PHE 15 HD1 PHE 15 -15.776 -13.080 -7.230
123 HE1 PHE 15 HE2 PHE 15 -15.331 -8.333 -6.021
124 HE2 PHE 15 HE1 PHE 15 -17.423 -11.445 -8.049
125 HZ PHE 15 HZ PHE 15 -17.202 -9.068 -7.444
126 H SER 16 H SER 16 -11.555 -14.286 -3.835
127 HA SER 16 HA SER 16 -13.470 -15.854 -2.410
128 HB2 SER 16 2HB SER 16 -10.919 -16.274 -3.601
129 HB3 SER 16 3HB SER 16 -10.814 -16.788 -1.918
130 HG SER 16 HG SER 16 -12.089 -18.411 -2.341
131 H GLN 17 H GLN 17 -10.803 -13.753 -1.512
132 HA GLN 17 HA GLN 17 -11.143 -14.395 1.312
133 HB2 GLN 17 2HB GLN 17 -8.928 -13.753 -0.178
134 HB3 GLN 17 3HB GLN 17 -9.293 -12.228 0.619
135 HG2 GLN 17 2HG GLN 17 -8.730 -14.880 1.914
136 HG3 GLN 17 3HG GLN 17 -7.742 -13.421 1.970
137 HE21 GLN 17 1HE2 GLN 17 -9.513 -11.481 2.542
138 HE22 GLN 17 2HE2 GLN 17 -10.243 -11.756 4.084
139 H ILE 18 H ILE 18 -11.094 -11.457 -0.711
140 HA ILE 18 HA ILE 18 -12.230 -9.820 1.329
141 HB ILE 18 HB ILE 18 -12.430 -8.103 -0.397
142 HG12 ILE 18 2HG1 ILE 18 -11.138 -9.397 -2.590
143 HG13 ILE 18 3HG1 ILE 18 -12.541 -10.358 -2.134
144 HG21 ILE 18 1HG2 ILE 18 -10.310 -7.868 0.303
145 HG22 ILE 18 2HG2 ILE 18 -9.955 -9.586 0.125
146 HG23 ILE 18 3HG2 ILE 18 -9.897 -8.523 -1.281
147 HD11 ILE 18 3HD1 ILE 18 -13.063 -7.489 -2.274
148 HD12 ILE 18 1HD1 ILE 18 -12.575 -8.215 -3.806
149 HD13 ILE 18 2HD1 ILE 18 -13.973 -8.847 -2.935
150 H LEU 19 H LEU 19 -13.565 -12.174 -0.602
151 HA LEU 19 HA LEU 19 -15.817 -11.692 -1.746
152 HB2 LEU 19 2HB LEU 19 -15.113 -13.865 -0.591
153 HB3 LEU 19 3HB LEU 19 -16.052 -13.291 0.785
154 HG LEU 19 HG LEU 19 -18.063 -13.244 -0.654
155 HD11 LEU 19 1HD1 LEU 19 -16.956 -12.934 -2.806
156 HD12 LEU 19 2HD1 LEU 19 -18.005 -14.351 -2.827
157 HD13 LEU 19 3HD1 LEU 19 -16.259 -14.550 -2.687
158 HD21 LEU 19 3HD2 LEU 19 -16.621 -15.554 0.275
159 HD22 LEU 19 1HD2 LEU 19 -17.605 -15.958 -1.131
160 HD23 LEU 19 2HD2 LEU 19 -18.355 -15.232 0.290
Start of MODEL 8
1 H1 MET 1 H MET 1 3.562 0.645 -0.033
2 HA MET 1 HA MET 1 1.148 0.922 -1.576
3 HB2 MET 1 2HB MET 1 2.555 1.619 -3.368
4 HB3 MET 1 3HB MET 1 3.216 2.323 -1.898
5 HG2 MET 1 2HG MET 1 4.688 0.141 -1.921
6 HG3 MET 1 3HG MET 1 4.313 0.186 -3.642
7 HE1 MET 1 3HE MET 1 6.729 0.355 -1.635
8 HE2 MET 1 1HE MET 1 7.917 1.310 -2.523
9 HE3 MET 1 2HE MET 1 7.132 1.986 -1.097
10 H TRP 2 H TRP 2 1.793 -1.716 -0.415
11 HA TRP 2 HA TRP 2 2.272 -3.332 -2.809
12 HB2 TRP 2 2HB TRP 2 3.313 -3.664 -0.380
13 HB3 TRP 2 3HB TRP 2 1.828 -4.579 -0.139
14 HD1 TRP 2 HD1 TRP 2 4.922 -4.547 -2.460
15 HE1 TRP 2 HE1 TRP 2 5.320 -6.950 -3.291
16 HE3 TRP 2 HE3 TRP 2 0.810 -6.802 -0.424
17 HZ2 TRP 2 HZ2 TRP 2 4.058 -9.468 -3.108
18 HZ3 TRP 2 HZ3 TRP 2 0.479 -9.211 -0.800
19 HH2 TRP 2 HH2 TRP 2 2.070 -10.515 -2.115
20 H LYS 3 H LYS 3 -0.210 -2.475 -0.520
21 HA LYS 3 HA LYS 3 -2.040 -4.542 -1.287
22 HB2 LYS 3 2HB LYS 3 -3.681 -3.272 0.038
23 HB3 LYS 3 3HB LYS 3 -2.184 -3.530 0.923
24 HG2 LYS 3 2HG LYS 3 -1.876 -1.084 -0.409
25 HG3 LYS 3 3HG LYS 3 -3.508 -1.077 0.265
26 HD2 LYS 3 2HD LYS 3 -1.021 -1.757 1.830
27 HD3 LYS 3 3HD LYS 3 -1.774 -0.161 1.802
28 HE2 LYS 3 2HE LYS 3 -3.819 -2.013 2.368
29 HE3 LYS 3 3HE LYS 3 -2.446 -2.458 3.379
30 HZ1 LYS 3 3HZ LYS 3 -3.350 0.345 3.212
31 HZ2 LYS 3 1HZ LYS 3 -2.454 -0.410 4.432
32 HZ3 LYS 3 2HZ LYS 3 -4.104 -0.743 4.265
33 H THR 4 H THR 4 -1.255 -1.369 -2.435
34 HA THR 4 HA THR 4 -3.561 -0.580 -3.726
35 HB THR 4 HB THR 4 -1.438 0.020 -5.499
36 HG1 THR 4 HG1 THR 4 0.091 0.853 -3.969
37 HG21 THR 4 3HG2 THR 4 -2.090 1.941 -3.353
38 HG22 THR 4 1HG2 THR 4 -3.454 1.350 -4.300
39 HG23 THR 4 2HG2 THR 4 -2.103 2.150 -5.104
40 HA PRO 5 HA PRO 5 -2.256 -3.044 -7.666
41 HB2 PRO 5 2HB PRO 5 -0.169 -4.766 -7.437
42 HB3 PRO 5 3HB PRO 5 0.031 -3.069 -7.888
43 HG2 PRO 5 2HG PRO 5 0.408 -4.376 -5.222
44 HG3 PRO 5 3HG PRO 5 1.417 -3.157 -6.023
45 HD2 PRO 5 2HD PRO 5 -0.353 -2.529 -4.072
46 HD3 PRO 5 3HD PRO 5 0.031 -1.422 -5.406
47 H THR 6 H THR 6 -2.293 -4.402 -4.500
48 HA THR 6 HA THR 6 -2.892 -7.093 -5.249
49 HB THR 6 HB THR 6 -3.357 -5.663 -2.625
50 HG1 THR 6 HG1 THR 6 -1.339 -7.571 -3.128
51 HG21 THR 6 3HG2 THR 6 -3.730 -8.500 -3.489
52 HG22 THR 6 1HG2 THR 6 -4.740 -7.506 -2.440
53 HG23 THR 6 2HG2 THR 6 -3.214 -8.154 -1.838
54 H LEU 7 H LEU 7 -4.793 -4.235 -4.481
55 HA LEU 7 HA LEU 7 -7.286 -5.725 -4.667
56 HB2 LEU 7 2HB LEU 7 -6.494 -2.992 -3.818
57 HB3 LEU 7 3HB LEU 7 -8.134 -3.222 -4.419
58 HG LEU 7 HG LEU 7 -7.250 -5.123 -2.343
59 HD11 LEU 7 1HD1 LEU 7 -7.146 -2.214 -1.958
60 HD12 LEU 7 2HD1 LEU 7 -6.394 -3.514 -1.033
61 HD13 LEU 7 3HD1 LEU 7 -8.085 -3.098 -0.754
62 HD21 LEU 7 3HD2 LEU 7 -9.548 -4.586 -1.512
63 HD22 LEU 7 1HD2 LEU 7 -9.493 -5.243 -3.147
64 HD23 LEU 7 2HD2 LEU 7 -9.736 -3.514 -2.900
65 H LYS 8 H LYS 8 -5.181 -4.071 -6.719
66 HA LYS 8 HA LYS 8 -7.234 -3.242 -8.605
67 HB2 LYS 8 2HB LYS 8 -5.044 -1.975 -8.087
68 HB3 LYS 8 3HB LYS 8 -4.270 -3.179 -9.109
69 HG2 LYS 8 2HG LYS 8 -4.857 -2.064 -10.924
70 HG3 LYS 8 3HG LYS 8 -6.559 -2.146 -10.463
71 HD2 LYS 8 2HD LYS 8 -6.268 -0.153 -9.063
72 HD3 LYS 8 3HD LYS 8 -4.570 -0.070 -9.540
73 HE2 LYS 8 2HE LYS 8 -5.571 -0.061 -11.961
74 HE3 LYS 8 3HE LYS 8 -7.027 0.498 -11.137
75 HZ1 LYS 8 3HZ LYS 8 -4.845 1.961 -10.168
76 HZ2 LYS 8 1HZ LYS 8 -6.167 2.520 -11.065
77 HZ3 LYS 8 2HZ LYS 8 -4.772 1.985 -11.858
78 H TYR 9 H TYR 9 -4.270 -5.211 -8.886
79 HA TYR 9 HA TYR 9 -5.370 -6.595 -11.177
80 HB2 TYR 9 2HB TYR 9 -2.763 -6.070 -10.153
81 HB3 TYR 9 3HB TYR 9 -2.956 -7.815 -10.275
82 HD1 TYR 9 HD1 TYR 9 -2.828 -4.663 -12.146
83 HD2 TYR 9 HD2 TYR 9 -3.209 -8.892 -12.429
84 HE1 TYR 9 HE1 TYR 9 -2.388 -4.535 -14.563
85 HE2 TYR 9 HE2 TYR 9 -2.769 -8.775 -14.847
86 HH TYR 9 HH TYR 9 -2.814 -7.258 -16.654
87 H PHE 10 H PHE 10 -4.407 -7.390 -7.860
88 HA PHE 10 HA PHE 10 -5.365 -10.113 -8.139
89 HB2 PHE 10 2HB PHE 10 -3.711 -8.627 -6.237
90 HB3 PHE 10 3HB PHE 10 -4.838 -9.732 -5.456
91 HD1 PHE 10 HD1 PHE 10 -4.739 -12.149 -5.949
92 HD2 PHE 10 HD2 PHE 10 -1.832 -9.423 -7.444
93 HE1 PHE 10 HE1 PHE 10 -3.224 -14.029 -6.424
94 HE2 PHE 10 HE2 PHE 10 -0.313 -11.299 -7.922
95 HZ PHE 10 HZ PHE 10 -1.009 -13.606 -7.413
96 H GLY 11 H GLY 11 -6.801 -7.191 -7.615
97 HA2 GLY 11 2HA GLY 11 -8.531 -7.478 -5.486
98 HA3 GLY 11 3HA GLY 11 -8.930 -6.617 -6.965
99 H GLY 12 H GLY 12 -9.404 -8.259 -8.860
100 HA2 GLY 12 2HA GLY 12 -11.822 -9.507 -8.290
101 HA3 GLY 12 3HA GLY 12 -10.843 -9.831 -9.713
102 H PHE 13 H PHE 13 -8.597 -10.705 -7.893
103 HA PHE 13 HA PHE 13 -9.387 -13.478 -7.780
104 HB2 PHE 13 2HB PHE 13 -7.130 -12.721 -8.563
105 HB3 PHE 13 3HB PHE 13 -6.773 -12.233 -6.910
106 HD1 PHE 13 HD2 PHE 13 -7.131 -14.117 -5.107
107 HD2 PHE 13 HD1 PHE 13 -6.489 -14.813 -9.257
108 HE1 PHE 13 HE2 PHE 13 -6.354 -16.396 -4.602
109 HE2 PHE 13 HE1 PHE 13 -5.712 -17.094 -8.758
110 HZ PHE 13 HZ PHE 13 -5.642 -17.888 -6.428
111 H ASN 14 H ASN 14 -8.799 -10.862 -5.533
112 HA ASN 14 HA ASN 14 -8.677 -12.429 -3.176
113 HB2 ASN 14 2HB ASN 14 -9.396 -9.522 -3.602
114 HB3 ASN 14 3HB ASN 14 -9.177 -10.259 -2.017
115 HD21 ASN 14 1HD2 ASN 14 -7.031 -11.635 -2.000
116 HD22 ASN 14 2HD2 ASN 14 -5.639 -10.762 -2.536
117 H PHE 15 H PHE 15 -11.202 -11.852 -5.275
118 HA PHE 15 HA PHE 15 -13.457 -11.360 -3.853
119 HB2 PHE 15 2HB PHE 15 -12.834 -12.691 -6.315
120 HB3 PHE 15 3HB PHE 15 -14.109 -13.579 -5.488
121 HD1 PHE 15 HD2 PHE 15 -13.675 -9.960 -5.111
122 HD2 PHE 15 HD1 PHE 15 -15.796 -13.062 -7.110
123 HE1 PHE 15 HE2 PHE 15 -15.326 -8.316 -5.902
124 HE2 PHE 15 HE1 PHE 15 -17.450 -11.423 -7.905
125 HZ PHE 15 HZ PHE 15 -17.217 -9.047 -7.300
126 H SER 16 H SER 16 -11.532 -14.279 -3.775
127 HA SER 16 HA SER 16 -13.431 -15.846 -2.326
128 HB2 SER 16 2HB SER 16 -10.450 -16.189 -2.726
129 HB3 SER 16 3HB SER 16 -11.495 -17.383 -1.956
130 HG SER 16 HG SER 16 -11.091 -16.913 -4.579
131 H GLN 17 H GLN 17 -10.748 -13.750 -1.460
132 HA GLN 17 HA GLN 17 -11.052 -14.395 1.367
133 HB2 GLN 17 2HB GLN 17 -8.855 -13.758 -0.149
134 HB3 GLN 17 3HB GLN 17 -9.207 -12.231 0.648
135 HG2 GLN 17 2HG GLN 17 -9.404 -14.183 2.639
136 HG3 GLN 17 3HG GLN 17 -7.974 -14.598 1.697
137 HE21 GLN 17 1HE2 GLN 17 -7.034 -12.161 0.958
138 HE22 GLN 17 2HE2 GLN 17 -6.556 -11.260 2.352
139 H ILE 18 H ILE 18 -11.024 -11.455 -0.653
140 HA ILE 18 HA ILE 18 -12.130 -9.818 1.404
141 HB ILE 18 HB ILE 18 -12.351 -8.099 -0.318
142 HG12 ILE 18 2HG1 ILE 18 -11.090 -9.393 -2.529
143 HG13 ILE 18 3HG1 ILE 18 -12.489 -10.351 -2.056
144 HG21 ILE 18 1HG2 ILE 18 -9.843 -9.627 0.050
145 HG22 ILE 18 2HG2 ILE 18 -9.857 -8.399 -1.215
146 HG23 ILE 18 3HG2 ILE 18 -10.221 -7.952 0.452
147 HD11 ILE 18 3HD1 ILE 18 -12.473 -8.101 -3.666
148 HD12 ILE 18 1HD1 ILE 18 -13.883 -8.889 -2.960
149 HD13 ILE 18 2HD1 ILE 18 -13.117 -7.538 -2.124
150 H LEU 19 H LEU 19 -13.495 -12.167 -0.512
151 HA LEU 19 HA LEU 19 -15.761 -11.680 -1.625
152 HB2 LEU 19 2HB LEU 19 -15.045 -13.856 -0.483
153 HB3 LEU 19 3HB LEU 19 -15.965 -13.282 0.907
154 HG LEU 19 HG LEU 19 -17.995 -13.229 -0.506
155 HD11 LEU 19 1HD1 LEU 19 -16.917 -12.919 -2.671
156 HD12 LEU 19 2HD1 LEU 19 -17.968 -14.335 -2.680
157 HD13 LEU 19 3HD1 LEU 19 -16.220 -14.536 -2.564
158 HD21 LEU 19 3HD2 LEU 19 -16.532 -15.863 -0.360
159 HD22 LEU 19 1HD2 LEU 19 -18.260 -15.681 -0.665
160 HD23 LEU 19 2HD2 LEU 19 -17.578 -15.162 0.876
Start of MODEL 9
1 H1 MET 1 H MET 1 3.781 0.884 -0.198
2 HA MET 1 HA MET 1 1.070 0.582 -0.799
3 HB2 MET 1 2HB MET 1 1.652 1.442 -3.033
4 HB3 MET 1 3HB MET 1 2.407 2.377 -1.749
5 HG2 MET 1 2HG MET 1 4.332 0.532 -2.281
6 HG3 MET 1 3HG MET 1 3.613 0.770 -3.872
7 HE1 MET 1 3HE MET 1 6.298 1.342 -4.130
8 HE2 MET 1 1HE MET 1 5.310 2.197 -5.315
9 HE3 MET 1 2HE MET 1 6.600 3.048 -4.464
10 H TRP 2 H TRP 2 1.719 -1.949 -0.190
11 HA TRP 2 HA TRP 2 2.083 -3.418 -2.691
12 HB2 TRP 2 2HB TRP 2 2.517 -3.985 0.150
13 HB3 TRP 2 3HB TRP 2 1.742 -5.309 -0.715
14 HD1 TRP 2 HD1 TRP 2 4.459 -3.002 -2.198
15 HE1 TRP 2 HE1 TRP 2 6.486 -4.455 -2.832
16 HE3 TRP 2 HE3 TRP 2 2.863 -7.482 -0.323
17 HZ2 TRP 2 HZ2 TRP 2 7.301 -7.146 -2.572
18 HZ3 TRP 2 HZ3 TRP 2 4.325 -9.447 -0.558
19 HH2 TRP 2 HH2 TRP 2 6.498 -9.280 -1.660
20 H LYS 3 H LYS 3 -0.348 -2.591 -0.357
21 HA LYS 3 HA LYS 3 -2.237 -4.591 -1.158
22 HB2 LYS 3 2HB LYS 3 -3.837 -3.294 0.204
23 HB3 LYS 3 3HB LYS 3 -2.351 -3.645 1.075
24 HG2 LYS 3 2HG LYS 3 -1.885 -1.187 -0.129
25 HG3 LYS 3 3HG LYS 3 -3.556 -1.104 0.433
26 HD2 LYS 3 2HD LYS 3 -2.166 -0.321 2.205
27 HD3 LYS 3 3HD LYS 3 -2.750 -1.923 2.662
28 HE2 LYS 3 2HE LYS 3 -0.671 -2.924 2.210
29 HE3 LYS 3 3HE LYS 3 -0.102 -1.525 1.300
30 HZ1 LYS 3 3HZ LYS 3 -0.456 -0.355 3.600
31 HZ2 LYS 3 1HZ LYS 3 0.968 -1.207 3.269
32 HZ3 LYS 3 2HZ LYS 3 -0.250 -1.924 4.198
33 H THR 4 H THR 4 -1.371 -1.419 -2.242
34 HA THR 4 HA THR 4 -3.670 -0.537 -3.491
35 HB THR 4 HB THR 4 -1.550 0.059 -5.267
36 HG1 THR 4 HG1 THR 4 -0.676 0.581 -2.638
37 HG21 THR 4 3HG2 THR 4 -3.514 1.404 -3.993
38 HG22 THR 4 1HG2 THR 4 -2.161 2.189 -4.807
39 HG23 THR 4 2HG2 THR 4 -2.114 1.938 -3.062
40 HA PRO 5 HA PRO 5 -2.453 -2.934 -7.501
41 HB2 PRO 5 2HB PRO 5 -0.409 -4.711 -7.330
42 HB3 PRO 5 3HB PRO 5 -0.170 -3.009 -7.741
43 HG2 PRO 5 2HG PRO 5 0.193 -4.391 -5.111
44 HG3 PRO 5 3HG PRO 5 1.226 -3.179 -5.889
45 HD2 PRO 5 2HD PRO 5 -0.514 -2.556 -3.910
46 HD3 PRO 5 3HD PRO 5 -0.111 -1.425 -5.218
47 H THR 6 H THR 6 -2.501 -4.369 -4.370
48 HA THR 6 HA THR 6 -3.124 -7.035 -5.134
49 HB THR 6 HB THR 6 -3.729 -5.598 -2.542
50 HG1 THR 6 HG1 THR 6 -1.562 -7.287 -3.312
51 HG21 THR 6 3HG2 THR 6 -4.936 -7.425 -2.073
52 HG22 THR 6 1HG2 THR 6 -3.399 -8.288 -2.009
53 HG23 THR 6 2HG2 THR 6 -4.344 -8.279 -3.498
54 H LEU 7 H LEU 7 -5.043 -4.160 -4.497
55 HA LEU 7 HA LEU 7 -7.535 -5.640 -4.775
56 HB2 LEU 7 2HB LEU 7 -6.760 -2.906 -3.924
57 HB3 LEU 7 3HB LEU 7 -8.365 -3.116 -4.621
58 HG LEU 7 HG LEU 7 -8.880 -4.782 -2.882
59 HD11 LEU 7 1HD1 LEU 7 -6.028 -4.403 -2.293
60 HD12 LEU 7 2HD1 LEU 7 -7.073 -5.795 -2.016
61 HD13 LEU 7 3HD1 LEU 7 -7.089 -4.443 -0.884
62 HD21 LEU 7 3HD2 LEU 7 -9.467 -3.218 -1.327
63 HD22 LEU 7 1HD2 LEU 7 -9.069 -2.155 -2.677
64 HD23 LEU 7 2HD2 LEU 7 -7.899 -2.410 -1.381
65 H LYS 8 H LYS 8 -5.325 -4.034 -6.754
66 HA LYS 8 HA LYS 8 -7.282 -3.230 -8.750
67 HB2 LYS 8 2HB LYS 8 -5.238 -1.862 -8.239
68 HB3 LYS 8 3HB LYS 8 -4.267 -3.153 -8.934
69 HG2 LYS 8 2HG LYS 8 -4.695 -2.500 -11.021
70 HG3 LYS 8 3HG LYS 8 -6.413 -2.267 -10.691
71 HD2 LYS 8 2HD LYS 8 -4.311 -0.327 -9.760
72 HD3 LYS 8 3HD LYS 8 -5.084 -0.200 -11.342
73 HE2 LYS 8 2HE LYS 8 -7.076 0.450 -10.467
74 HE3 LYS 8 3HE LYS 8 -6.869 -0.508 -9.002
75 HZ1 LYS 8 3HZ LYS 8 -5.057 1.742 -9.336
76 HZ2 LYS 8 1HZ LYS 8 -5.828 1.168 -7.943
77 HZ3 LYS 8 2HZ LYS 8 -6.677 2.131 -9.044
78 H TYR 9 H TYR 9 -4.315 -5.214 -8.854
79 HA TYR 9 HA TYR 9 -5.308 -6.634 -11.171
80 HB2 TYR 9 2HB TYR 9 -2.763 -6.049 -10.114
81 HB3 TYR 9 3HB TYR 9 -2.927 -7.800 -10.041
82 HD1 TYR 9 HD2 TYR 9 -3.234 -9.105 -12.101
83 HD2 TYR 9 HD1 TYR 9 -2.608 -4.898 -12.220
84 HE1 TYR 9 HE2 TYR 9 -2.697 -9.259 -14.496
85 HE2 TYR 9 HE1 TYR 9 -2.070 -5.040 -14.616
86 HH TYR 9 HH TYR 9 -2.846 -7.457 -16.534
87 H PHE 10 H PHE 10 -4.518 -7.375 -7.796
88 HA PHE 10 HA PHE 10 -5.478 -10.097 -8.076
89 HB2 PHE 10 2HB PHE 10 -3.905 -8.591 -6.124
90 HB3 PHE 10 3HB PHE 10 -5.077 -9.671 -5.377
91 HD1 PHE 10 HD2 PHE 10 -4.969 -12.095 -5.796
92 HD2 PHE 10 HD1 PHE 10 -1.988 -9.428 -7.250
93 HE1 PHE 10 HE2 PHE 10 -3.452 -13.997 -6.163
94 HE2 PHE 10 HE1 PHE 10 -0.466 -11.326 -7.620
95 HZ PHE 10 HZ PHE 10 -1.197 -13.614 -7.076
96 H GLY 11 H GLY 11 -6.918 -7.158 -7.672
97 HA2 GLY 11 2HA GLY 11 -8.748 -7.389 -5.625
98 HA3 GLY 11 3HA GLY 11 -9.075 -6.565 -7.142
99 H GLY 12 H GLY 12 -9.198 -8.519 -8.979
100 HA2 GLY 12 2HA GLY 12 -11.744 -9.662 -8.508
101 HA3 GLY 12 3HA GLY 12 -10.693 -10.018 -9.871
102 H PHE 13 H PHE 13 -8.536 -10.811 -7.904
103 HA PHE 13 HA PHE 13 -9.298 -13.589 -7.758
104 HB2 PHE 13 2HB PHE 13 -7.009 -12.826 -8.433
105 HB3 PHE 13 3HB PHE 13 -6.753 -12.285 -6.777
106 HD1 PHE 13 HD2 PHE 13 -7.190 -14.120 -4.942
107 HD2 PHE 13 HD1 PHE 13 -6.306 -14.929 -9.026
108 HE1 PHE 13 HE2 PHE 13 -6.416 -16.373 -4.325
109 HE2 PHE 13 HE1 PHE 13 -5.531 -17.183 -8.416
110 HZ PHE 13 HZ PHE 13 -5.584 -17.907 -6.062
111 H ASN 14 H ASN 14 -8.870 -10.905 -5.555
112 HA ASN 14 HA ASN 14 -8.865 -12.405 -3.151
113 HB2 ASN 14 2HB ASN 14 -9.596 -9.521 -3.697
114 HB3 ASN 14 3HB ASN 14 -9.451 -10.213 -2.083
115 HD21 ASN 14 1HD2 ASN 14 -7.300 -11.501 -1.847
116 HD22 ASN 14 2HD2 ASN 14 -5.890 -10.643 -2.359
117 H PHE 15 H PHE 15 -11.272 -11.922 -5.407
118 HA PHE 15 HA PHE 15 -13.611 -11.419 -4.130
119 HB2 PHE 15 2HB PHE 15 -12.832 -12.811 -6.513
120 HB3 PHE 15 3HB PHE 15 -14.142 -13.692 -5.734
121 HD1 PHE 15 HD1 PHE 15 -13.771 -10.058 -5.439
122 HD2 PHE 15 HD2 PHE 15 -15.740 -13.243 -7.463
123 HE1 PHE 15 HE1 PHE 15 -15.393 -8.459 -6.370
124 HE2 PHE 15 HE2 PHE 15 -17.364 -11.649 -8.398
125 HZ PHE 15 HZ PHE 15 -17.192 -9.254 -7.852
126 H SER 16 H SER 16 -11.660 -14.309 -3.858
127 HA SER 16 HA SER 16 -13.620 -15.859 -2.474
128 HB2 SER 16 2HB SER 16 -10.843 -16.187 -3.337
129 HB3 SER 16 3HB SER 16 -11.176 -16.945 -1.779
130 HG SER 16 HG SER 16 -12.780 -18.157 -2.727
131 H GLN 17 H GLN 17 -11.015 -13.704 -1.519
132 HA GLN 17 HA GLN 17 -11.474 -14.273 1.305
133 HB2 GLN 17 2HB GLN 17 -9.203 -13.641 -0.109
134 HB3 GLN 17 3HB GLN 17 -9.616 -12.105 0.640
135 HG2 GLN 17 2HG GLN 17 -9.480 -13.020 2.814
136 HG3 GLN 17 3HG GLN 17 -9.414 -14.667 2.191
137 HE21 GLN 17 1HE2 GLN 17 -7.658 -11.668 2.552
138 HE22 GLN 17 2HE2 GLN 17 -6.082 -12.337 2.321
139 H ILE 18 H ILE 18 -11.363 -11.391 -0.795
140 HA ILE 18 HA ILE 18 -12.603 -9.711 1.147
141 HB ILE 18 HB ILE 18 -12.745 -8.044 -0.633
142 HG12 ILE 18 2HG1 ILE 18 -11.347 -9.383 -2.731
143 HG13 ILE 18 3HG1 ILE 18 -12.758 -10.347 -2.310
144 HG21 ILE 18 1HG2 ILE 18 -10.217 -8.277 -1.365
145 HG22 ILE 18 2HG2 ILE 18 -10.667 -7.891 0.295
146 HG23 ILE 18 3HG2 ILE 18 -10.229 -9.544 -0.139
147 HD11 ILE 18 3HD1 ILE 18 -12.903 -8.469 -4.116
148 HD12 ILE 18 1HD1 ILE 18 -14.228 -8.731 -2.983
149 HD13 ILE 18 2HD1 ILE 18 -13.082 -7.419 -2.711
150 H LEU 19 H LEU 19 -13.830 -12.131 -0.774
151 HA LEU 19 HA LEU 19 -16.034 -11.706 -2.027
152 HB2 LEU 19 2HB LEU 19 -15.359 -13.838 -0.784
153 HB3 LEU 19 3HB LEU 19 -16.364 -13.237 0.534
154 HG LEU 19 HG LEU 19 -18.310 -13.252 -0.993
155 HD11 LEU 19 1HD1 LEU 19 -17.112 -12.989 -3.102
156 HD12 LEU 19 2HD1 LEU 19 -18.146 -14.418 -3.129
157 HD13 LEU 19 3HD1 LEU 19 -16.405 -14.594 -2.907
158 HD21 LEU 19 3HD2 LEU 19 -16.797 -15.632 -0.152
159 HD22 LEU 19 1HD2 LEU 19 -18.055 -15.916 -1.354
160 HD23 LEU 19 2HD2 LEU 19 -18.463 -15.163 0.188
Start of MODEL 10
1 H1 MET 1 H MET 1 1.106 0.013 0.385
2 HA MET 1 HA MET 1 1.819 0.867 -2.324
3 HB2 MET 1 2HB MET 1 3.278 0.462 0.141
4 HB3 MET 1 3HB MET 1 4.007 -0.453 -1.172
5 HG2 MET 1 2HG MET 1 3.862 1.743 -2.499
6 HG3 MET 1 3HG MET 1 3.620 2.501 -0.927
7 HE1 MET 1 3HE MET 1 6.249 3.008 -3.071
8 HE2 MET 1 1HE MET 1 5.637 3.955 -1.715
9 HE3 MET 1 2HE MET 1 7.316 3.417 -1.728
10 H TRP 2 H TRP 2 1.613 -2.034 -0.306
11 HA TRP 2 HA TRP 2 2.141 -3.721 -2.631
12 HB2 TRP 2 2HB TRP 2 2.630 -3.963 0.161
13 HB3 TRP 2 3HB TRP 2 1.527 -5.257 -0.302
14 HD1 TRP 2 HD1 TRP 2 2.501 -7.236 -1.718
15 HE1 TRP 2 HE1 TRP 2 4.873 -7.871 -2.487
16 HE3 TRP 2 HE3 TRP 2 4.906 -2.860 -0.623
17 HZ2 TRP 2 HZ2 TRP 2 7.427 -6.675 -2.612
18 HZ3 TRP 2 HZ3 TRP 2 7.314 -2.687 -1.097
19 HH2 TRP 2 HH2 TRP 2 8.547 -4.556 -2.071
20 H LYS 3 H LYS 3 -0.452 -2.684 -0.573
21 HA LYS 3 HA LYS 3 -2.286 -4.745 -1.382
22 HB2 LYS 3 2HB LYS 3 -3.973 -3.355 -0.201
23 HB3 LYS 3 3HB LYS 3 -2.573 -3.740 0.792
24 HG2 LYS 3 2HG LYS 3 -2.164 -1.259 -0.603
25 HG3 LYS 3 3HG LYS 3 -3.675 -1.223 0.308
26 HD2 LYS 3 2HD LYS 3 -1.248 -2.309 1.644
27 HD3 LYS 3 3HD LYS 3 -1.369 -0.562 1.421
28 HE2 LYS 3 2HE LYS 3 -2.353 -0.840 3.487
29 HE3 LYS 3 3HE LYS 3 -3.754 -0.877 2.417
30 HZ1 LYS 3 3HZ LYS 3 -3.297 -2.716 4.265
31 HZ2 LYS 3 1HZ LYS 3 -2.481 -3.435 2.968
32 HZ3 LYS 3 2HZ LYS 3 -4.122 -3.050 2.826
33 H THR 4 H THR 4 -1.346 -1.617 -2.533
34 HA THR 4 HA THR 4 -3.554 -0.787 -3.965
35 HB THR 4 HB THR 4 -1.313 -0.274 -5.619
36 HG1 THR 4 HG1 THR 4 0.169 0.508 -4.050
37 HG21 THR 4 3HG2 THR 4 -1.537 2.020 -4.481
38 HG22 THR 4 1HG2 THR 4 -2.874 1.298 -3.588
39 HG23 THR 4 2HG2 THR 4 -2.939 1.394 -5.348
40 HA PRO 5 HA PRO 5 -2.091 -3.347 -7.786
41 HB2 PRO 5 2HB PRO 5 -0.068 -5.118 -7.412
42 HB3 PRO 5 3HB PRO 5 0.203 -3.434 -7.876
43 HG2 PRO 5 2HG PRO 5 0.391 -4.708 -5.173
44 HG3 PRO 5 3HG PRO 5 1.477 -3.529 -5.932
45 HD2 PRO 5 2HD PRO 5 -0.385 -2.824 -4.097
46 HD3 PRO 5 3HD PRO 5 0.105 -1.749 -5.421
47 H THR 6 H THR 6 -2.339 -4.656 -4.608
48 HA THR 6 HA THR 6 -3.024 -7.330 -5.408
49 HB THR 6 HB THR 6 -3.416 -5.941 -2.749
50 HG1 THR 6 HG1 THR 6 -1.300 -7.368 -3.926
51 HG21 THR 6 3HG2 THR 6 -3.171 -8.706 -2.397
52 HG22 THR 6 1HG2 THR 6 -4.306 -8.503 -3.731
53 HG23 THR 6 2HG2 THR 6 -4.622 -7.729 -2.179
54 H LEU 7 H LEU 7 -4.767 -4.389 -4.598
55 HA LEU 7 HA LEU 7 -7.338 -5.744 -4.769
56 HB2 LEU 7 2HB LEU 7 -6.458 -2.976 -4.044
57 HB3 LEU 7 3HB LEU 7 -8.146 -3.306 -4.428
58 HG LEU 7 HG LEU 7 -6.980 -5.099 -2.416
59 HD11 LEU 7 1HD1 LEU 7 -7.629 -2.361 -1.443
60 HD12 LEU 7 2HD1 LEU 7 -6.014 -2.683 -2.074
61 HD13 LEU 7 3HD1 LEU 7 -6.629 -3.615 -0.709
62 HD21 LEU 7 3HD2 LEU 7 -9.138 -5.339 -1.959
63 HD22 LEU 7 1HD2 LEU 7 -9.505 -4.216 -3.268
64 HD23 LEU 7 2HD2 LEU 7 -9.301 -3.615 -1.623
65 H LYS 8 H LYS 8 -5.165 -4.194 -6.833
66 HA LYS 8 HA LYS 8 -7.187 -3.253 -8.700
67 HB2 LYS 8 2HB LYS 8 -4.948 -2.087 -8.206
68 HB3 LYS 8 3HB LYS 8 -4.220 -3.341 -9.201
69 HG2 LYS 8 2HG LYS 8 -4.539 -1.812 -10.823
70 HG3 LYS 8 3HG LYS 8 -6.148 -2.536 -10.870
71 HD2 LYS 8 2HD LYS 8 -7.125 -0.670 -10.109
72 HD3 LYS 8 3HD LYS 8 -5.890 -0.424 -8.872
73 HE2 LYS 8 2HE LYS 8 -5.453 0.189 -11.787
74 HE3 LYS 8 3HE LYS 8 -6.064 1.375 -10.635
75 HZ1 LYS 8 3HZ LYS 8 -3.973 1.812 -10.108
76 HZ2 LYS 8 1HZ LYS 8 -3.398 0.564 -11.095
77 HZ3 LYS 8 2HZ LYS 8 -3.812 0.247 -9.487
78 H TYR 9 H TYR 9 -4.331 -5.373 -9.011
79 HA TYR 9 HA TYR 9 -5.518 -6.688 -11.299
80 HB2 TYR 9 2HB TYR 9 -2.875 -6.338 -10.249
81 HB3 TYR 9 3HB TYR 9 -3.182 -8.059 -10.457
82 HD1 TYR 9 HD2 TYR 9 -3.917 -8.889 -12.728
83 HD2 TYR 9 HD1 TYR 9 -2.428 -4.953 -12.103
84 HE1 TYR 9 HE2 TYR 9 -3.468 -8.683 -15.138
85 HE2 TYR 9 HE1 TYR 9 -1.975 -4.735 -14.510
86 HH TYR 9 HH TYR 9 -2.665 -5.690 -16.607
87 H PHE 10 H PHE 10 -4.582 -7.547 -7.989
88 HA PHE 10 HA PHE 10 -5.690 -10.212 -8.273
89 HB2 PHE 10 2HB PHE 10 -3.936 -8.834 -6.384
90 HB3 PHE 10 3HB PHE 10 -5.121 -9.867 -5.591
91 HD1 PHE 10 HD1 PHE 10 -5.147 -12.280 -6.020
92 HD2 PHE 10 HD2 PHE 10 -2.150 -9.749 -7.671
93 HE1 PHE 10 HE1 PHE 10 -3.756 -14.250 -6.507
94 HE2 PHE 10 HE2 PHE 10 -0.755 -11.715 -8.162
95 HZ PHE 10 HZ PHE 10 -1.558 -13.970 -7.580
96 H GLY 11 H GLY 11 -6.957 -7.217 -7.725
97 HA2 GLY 11 2HA GLY 11 -8.678 -7.398 -5.585
98 HA3 GLY 11 3HA GLY 11 -9.054 -6.537 -7.071
99 H GLY 12 H GLY 12 -9.329 -8.507 -8.910
100 HA2 GLY 12 2HA GLY 12 -11.910 -9.524 -8.312
101 HA3 GLY 12 3HA GLY 12 -10.953 -9.909 -9.735
102 H PHE 13 H PHE 13 -8.729 -10.815 -7.891
103 HA PHE 13 HA PHE 13 -9.604 -13.560 -7.731
104 HB2 PHE 13 2HB PHE 13 -7.323 -12.887 -8.525
105 HB3 PHE 13 3HB PHE 13 -6.953 -12.383 -6.880
106 HD1 PHE 13 HD1 PHE 13 -7.374 -14.225 -5.047
107 HD2 PHE 13 HD2 PHE 13 -6.744 -15.009 -9.183
108 HE1 PHE 13 HE1 PHE 13 -6.669 -16.518 -4.501
109 HE2 PHE 13 HE2 PHE 13 -6.039 -17.303 -8.644
110 HZ PHE 13 HZ PHE 13 -6.001 -18.061 -6.301
111 H ASN 14 H ASN 14 -8.931 -10.925 -5.531
112 HA ASN 14 HA ASN 14 -8.863 -12.453 -3.146
113 HB2 ASN 14 2HB ASN 14 -9.477 -9.531 -3.627
114 HB3 ASN 14 3HB ASN 14 -9.293 -10.245 -2.028
115 HD21 ASN 14 1HD2 ASN 14 -7.206 -11.558 -1.805
116 HD22 ASN 14 2HD2 ASN 14 -5.778 -10.801 -2.415
117 H PHE 15 H PHE 15 -11.366 -11.824 -5.258
118 HA PHE 15 HA PHE 15 -13.603 -11.230 -3.844
119 HB2 PHE 15 2HB PHE 15 -13.026 -12.620 -6.285
120 HB3 PHE 15 3HB PHE 15 -14.332 -13.451 -5.445
121 HD1 PHE 15 HD1 PHE 15 -13.771 -9.843 -5.124
122 HD2 PHE 15 HD2 PHE 15 -16.001 -12.899 -7.075
123 HE1 PHE 15 HE1 PHE 15 -15.364 -8.155 -5.940
124 HE2 PHE 15 HE2 PHE 15 -17.596 -11.216 -7.896
125 HZ PHE 15 HZ PHE 15 -17.279 -8.840 -7.329
126 H SER 16 H SER 16 -11.780 -14.212 -3.718
127 HA SER 16 HA SER 16 -13.733 -15.689 -2.246
128 HB2 SER 16 2HB SER 16 -10.858 -16.099 -2.974
129 HB3 SER 16 3HB SER 16 -11.578 -17.110 -1.721
130 HG SER 16 HG SER 16 -12.936 -17.974 -3.171
131 H GLN 17 H GLN 17 -10.978 -13.675 -1.412
132 HA GLN 17 HA GLN 17 -11.305 -14.265 1.425
133 HB2 GLN 17 2HB GLN 17 -9.099 -13.651 -0.147
134 HB3 GLN 17 3HB GLN 17 -9.389 -12.174 0.764
135 HG2 GLN 17 2HG GLN 17 -8.639 -13.066 2.658
136 HG3 GLN 17 3HG GLN 17 -9.537 -14.563 2.413
137 HE21 GLN 17 1HE2 GLN 17 -6.823 -12.881 0.854
138 HE22 GLN 17 2HE2 GLN 17 -5.792 -14.264 0.772
139 H ILE 18 H ILE 18 -11.174 -11.359 -0.640
140 HA ILE 18 HA ILE 18 -12.223 -9.653 1.390
141 HB ILE 18 HB ILE 18 -12.383 -7.954 -0.358
142 HG12 ILE 18 2HG1 ILE 18 -11.168 -9.324 -2.548
143 HG13 ILE 18 3HG1 ILE 18 -12.598 -10.228 -2.061
144 HG21 ILE 18 1HG2 ILE 18 -9.948 -9.534 0.117
145 HG22 ILE 18 2HG2 ILE 18 -9.886 -8.440 -1.263
146 HG23 ILE 18 3HG2 ILE 18 -10.248 -7.811 0.344
147 HD11 ILE 18 3HD1 ILE 18 -12.902 -8.457 -3.840
148 HD12 ILE 18 1HD1 ILE 18 -14.014 -8.407 -2.472
149 HD13 ILE 18 2HD1 ILE 18 -12.666 -7.272 -2.555
150 H LEU 19 H LEU 19 -13.668 -11.982 -0.490
151 HA LEU 19 HA LEU 19 -15.916 -11.435 -1.612
152 HB2 LEU 19 2HB LEU 19 -15.276 -13.615 -0.436
153 HB3 LEU 19 3HB LEU 19 -16.175 -12.988 0.944
154 HG LEU 19 HG LEU 19 -18.203 -12.888 -0.467
155 HD11 LEU 19 1HD1 LEU 19 -17.116 -12.643 -2.637
156 HD12 LEU 19 2HD1 LEU 19 -18.218 -14.020 -2.626
157 HD13 LEU 19 3HD1 LEU 19 -16.478 -14.283 -2.509
158 HD21 LEU 19 3HD2 LEU 19 -17.357 -14.934 0.911
159 HD22 LEU 19 1HD2 LEU 19 -17.138 -15.670 -0.677
160 HD23 LEU 19 2HD2 LEU 19 -18.735 -15.112 -0.177
Start of MODEL 11
1 H1 MET 1 H MET 1 4.122 -0.025 -0.174
2 HA MET 1 HA MET 1 1.675 0.545 -1.648
3 HB2 MET 1 2HB MET 1 4.524 0.280 -2.625
4 HB3 MET 1 3HB MET 1 3.156 0.826 -3.586
5 HG2 MET 1 2HG MET 1 3.432 2.903 -2.890
6 HG3 MET 1 3HG MET 1 3.335 2.395 -1.206
7 HE1 MET 1 3HE MET 1 6.093 4.898 -2.224
8 HE2 MET 1 1HE MET 1 6.439 3.970 -3.684
9 HE3 MET 1 2HE MET 1 4.773 4.381 -3.275
10 H TRP 2 H TRP 2 2.183 -2.075 -0.341
11 HA TRP 2 HA TRP 2 2.436 -3.869 -2.634
12 HB2 TRP 2 2HB TRP 2 2.861 -4.092 0.249
13 HB3 TRP 2 3HB TRP 2 1.960 -5.452 -0.416
14 HD1 TRP 2 HD1 TRP 2 3.237 -7.050 -2.141
15 HE1 TRP 2 HE1 TRP 2 5.740 -7.411 -2.618
16 HE3 TRP 2 HE3 TRP 2 5.110 -2.877 0.144
17 HZ2 TRP 2 HZ2 TRP 2 8.185 -6.101 -2.094
18 HZ3 TRP 2 HZ3 TRP 2 7.542 -2.506 0.111
19 HH2 TRP 2 HH2 TRP 2 9.046 -4.086 -0.985
20 H LYS 3 H LYS 3 0.068 -2.566 -0.467
21 HA LYS 3 HA LYS 3 -1.955 -4.526 -0.999
22 HB2 LYS 3 2HB LYS 3 -3.465 -2.919 0.136
23 HB3 LYS 3 3HB LYS 3 -2.027 -3.290 1.078
24 HG2 LYS 3 2HG LYS 3 -1.245 -1.082 -0.339
25 HG3 LYS 3 3HG LYS 3 -2.949 -0.752 -0.017
26 HD2 LYS 3 2HD LYS 3 -0.919 -1.541 2.072
27 HD3 LYS 3 3HD LYS 3 -1.439 0.114 1.745
28 HE2 LYS 3 2HE LYS 3 -3.701 -1.642 2.131
29 HE3 LYS 3 3HE LYS 3 -2.604 -1.705 3.509
30 HZ1 LYS 3 3HZ LYS 3 -4.164 0.553 2.478
31 HZ2 LYS 3 1HZ LYS 3 -2.689 0.877 3.241
32 HZ3 LYS 3 2HZ LYS 3 -3.912 0.059 4.076
33 H THR 4 H THR 4 -0.803 -1.701 -2.582
34 HA THR 4 HA THR 4 -3.057 -0.815 -3.948
35 HB THR 4 HB THR 4 -0.885 -0.635 -5.756
36 HG1 THR 4 HG1 THR 4 0.614 0.382 -4.158
37 HG21 THR 4 3HG2 THR 4 -2.712 1.033 -5.094
38 HG22 THR 4 1HG2 THR 4 -1.102 1.680 -5.406
39 HG23 THR 4 2HG2 THR 4 -1.658 1.464 -3.747
40 HA PRO 5 HA PRO 5 -1.987 -3.847 -7.549
41 HB2 PRO 5 2HB PRO 5 -0.073 -5.717 -7.090
42 HB3 PRO 5 3HB PRO 5 0.287 -4.113 -7.739
43 HG2 PRO 5 2HG PRO 5 0.536 -5.119 -4.931
44 HG3 PRO 5 3HG PRO 5 1.657 -4.107 -5.860
45 HD2 PRO 5 2HD PRO 5 -0.047 -3.084 -4.020
46 HD3 PRO 5 3HD PRO 5 0.442 -2.187 -5.472
47 H THR 6 H THR 6 -2.398 -4.652 -4.286
48 HA THR 6 HA THR 6 -3.076 -7.411 -4.583
49 HB THR 6 HB THR 6 -3.876 -5.527 -2.357
50 HG1 THR 6 HG1 THR 6 -1.530 -7.051 -2.824
51 HG21 THR 6 3HG2 THR 6 -3.714 -8.538 -2.514
52 HG22 THR 6 1HG2 THR 6 -5.171 -7.565 -2.316
53 HG23 THR 6 2HG2 THR 6 -3.969 -7.626 -1.026
54 H LEU 7 H LEU 7 -5.044 -4.485 -4.043
55 HA LEU 7 HA LEU 7 -7.454 -5.956 -4.745
56 HB2 LEU 7 2HB LEU 7 -6.835 -3.671 -3.157
57 HB3 LEU 7 3HB LEU 7 -7.984 -3.194 -4.405
58 HG LEU 7 HG LEU 7 -9.467 -5.058 -3.639
59 HD11 LEU 7 1HD1 LEU 7 -7.440 -5.209 -1.414
60 HD12 LEU 7 2HD1 LEU 7 -7.851 -6.479 -2.566
61 HD13 LEU 7 3HD1 LEU 7 -9.038 -5.954 -1.372
62 HD21 LEU 7 3HD2 LEU 7 -10.469 -3.757 -2.025
63 HD22 LEU 7 1HD2 LEU 7 -9.459 -2.571 -2.851
64 HD23 LEU 7 2HD2 LEU 7 -8.932 -3.260 -1.316
65 H LYS 8 H LYS 8 -5.107 -4.099 -6.294
66 HA LYS 8 HA LYS 8 -6.777 -2.878 -8.280
67 HB2 LYS 8 2HB LYS 8 -4.601 -1.920 -7.683
68 HB3 LYS 8 3HB LYS 8 -3.793 -3.374 -8.254
69 HG2 LYS 8 2HG LYS 8 -3.750 -2.611 -10.331
70 HG3 LYS 8 3HG LYS 8 -5.487 -2.297 -10.311
71 HD2 LYS 8 2HD LYS 8 -4.697 -0.231 -8.832
72 HD3 LYS 8 3HD LYS 8 -3.213 -0.470 -9.757
73 HE2 LYS 8 2HE LYS 8 -4.590 -0.401 -11.837
74 HE3 LYS 8 3HE LYS 8 -5.981 0.027 -10.843
75 HZ1 LYS 8 3HZ LYS 8 -5.071 2.025 -11.691
76 HZ2 LYS 8 1HZ LYS 8 -3.498 1.599 -11.237
77 HZ3 LYS 8 2HZ LYS 8 -4.649 1.967 -10.054
78 H TYR 9 H TYR 9 -4.270 -5.403 -8.580
79 HA TYR 9 HA TYR 9 -5.622 -6.396 -10.973
80 HB2 TYR 9 2HB TYR 9 -2.911 -6.146 -10.208
81 HB3 TYR 9 3HB TYR 9 -3.244 -7.871 -10.321
82 HD1 TYR 9 HD1 TYR 9 -3.687 -4.697 -12.232
83 HD2 TYR 9 HD2 TYR 9 -3.154 -8.915 -12.393
84 HE1 TYR 9 HE1 TYR 9 -3.474 -4.571 -14.679
85 HE2 TYR 9 HE2 TYR 9 -2.938 -8.800 -14.840
86 HH TYR 9 HH TYR 9 -2.473 -7.297 -16.579
87 H PHE 10 H PHE 10 -4.469 -7.536 -7.820
88 HA PHE 10 HA PHE 10 -5.608 -10.158 -8.192
89 HB2 PHE 10 2HB PHE 10 -3.841 -8.858 -6.281
90 HB3 PHE 10 3HB PHE 10 -5.043 -9.867 -5.483
91 HD1 PHE 10 HD1 PHE 10 -5.221 -12.282 -6.126
92 HD2 PHE 10 HD2 PHE 10 -2.005 -9.801 -7.395
93 HE1 PHE 10 HE1 PHE 10 -3.886 -14.283 -6.641
94 HE2 PHE 10 HE2 PHE 10 -0.664 -11.798 -7.914
95 HZ PHE 10 HZ PHE 10 -1.604 -14.043 -7.538
96 H GLY 11 H GLY 11 -6.918 -7.207 -7.517
97 HA2 GLY 11 2HA GLY 11 -8.643 -7.522 -5.389
98 HA3 GLY 11 3HA GLY 11 -9.017 -6.579 -6.823
99 H GLY 12 H GLY 12 -9.563 -8.119 -8.789
100 HA2 GLY 12 2HA GLY 12 -12.030 -9.284 -8.262
101 HA3 GLY 12 3HA GLY 12 -11.068 -9.593 -9.700
102 H PHE 13 H PHE 13 -8.859 -10.637 -7.926
103 HA PHE 13 HA PHE 13 -9.773 -13.374 -7.918
104 HB2 PHE 13 2HB PHE 13 -7.487 -12.686 -8.688
105 HB3 PHE 13 3HB PHE 13 -7.100 -12.287 -7.018
106 HD1 PHE 13 HD1 PHE 13 -7.537 -14.229 -5.295
107 HD2 PHE 13 HD2 PHE 13 -6.945 -14.773 -9.475
108 HE1 PHE 13 HE1 PHE 13 -6.862 -16.561 -4.893
109 HE2 PHE 13 HE2 PHE 13 -6.271 -17.106 -9.079
110 HZ PHE 13 HZ PHE 13 -6.229 -18.003 -6.786
111 H ASN 14 H ASN 14 -9.049 -10.878 -5.575
112 HA ASN 14 HA ASN 14 -8.987 -12.541 -3.282
113 HB2 ASN 14 2HB ASN 14 -9.539 -9.588 -3.613
114 HB3 ASN 14 3HB ASN 14 -9.410 -10.381 -2.046
115 HD21 ASN 14 1HD2 ASN 14 -7.359 -11.818 -1.916
116 HD22 ASN 14 2HD2 ASN 14 -5.900 -11.047 -2.428
117 H PHE 15 H PHE 15 -11.495 -11.761 -5.336
118 HA PHE 15 HA PHE 15 -13.715 -11.221 -3.874
119 HB2 PHE 15 2HB PHE 15 -13.172 -12.475 -6.396
120 HB3 PHE 15 3HB PHE 15 -14.483 -13.336 -5.596
121 HD1 PHE 15 HD1 PHE 15 -13.873 -9.761 -5.070
122 HD2 PHE 15 HD2 PHE 15 -16.155 -12.670 -7.178
123 HE1 PHE 15 HE1 PHE 15 -15.449 -8.008 -5.776
124 HE2 PHE 15 HE2 PHE 15 -17.735 -10.922 -7.888
125 HZ PHE 15 HZ PHE 15 -17.383 -8.587 -7.187
126 H SER 16 H SER 16 -11.929 -14.228 -3.934
127 HA SER 16 HA SER 16 -13.891 -15.763 -2.536
128 HB2 SER 16 2HB SER 16 -12.105 -16.744 -3.997
129 HB3 SER 16 3HB SER 16 -10.923 -16.310 -2.762
130 HG SER 16 HG SER 16 -12.614 -17.572 -1.386
131 H GLN 17 H GLN 17 -11.108 -13.833 -1.608
132 HA GLN 17 HA GLN 17 -11.420 -14.584 1.193
133 HB2 GLN 17 2HB GLN 17 -9.234 -13.805 -0.398
134 HB3 GLN 17 3HB GLN 17 -9.486 -12.493 0.746
135 HG2 GLN 17 2HG GLN 17 -8.024 -13.848 1.884
136 HG3 GLN 17 3HG GLN 17 -9.582 -14.384 2.512
137 HE21 GLN 17 1HE2 GLN 17 -7.728 -15.083 -0.433
138 HE22 GLN 17 2HE2 GLN 17 -7.760 -16.801 -0.251
139 H ILE 18 H ILE 18 -11.272 -11.565 -0.701
140 HA ILE 18 HA ILE 18 -12.287 -9.969 1.434
141 HB ILE 18 HB ILE 18 -12.440 -8.169 -0.212
142 HG12 ILE 18 2HG1 ILE 18 -11.245 -9.428 -2.481
143 HG13 ILE 18 3HG1 ILE 18 -12.689 -10.334 -2.042
144 HG21 ILE 18 1HG2 ILE 18 -9.982 -8.448 -1.103
145 HG22 ILE 18 2HG2 ILE 18 -10.306 -8.222 0.615
146 HG23 ILE 18 3HG2 ILE 18 -9.983 -9.837 -0.016
147 HD11 ILE 18 3HD1 ILE 18 -12.820 -8.329 -3.702
148 HD12 ILE 18 1HD1 ILE 18 -14.089 -8.586 -2.506
149 HD13 ILE 18 2HD1 ILE 18 -12.844 -7.369 -2.222
150 H LEU 19 H LEU 19 -13.771 -12.168 -0.568
151 HA LEU 19 HA LEU 19 -16.018 -11.530 -1.642
152 HB2 LEU 19 2HB LEU 19 -15.398 -13.782 -0.600
153 HB3 LEU 19 3HB LEU 19 -16.281 -13.227 0.821
154 HG LEU 19 HG LEU 19 -18.315 -13.020 -0.571
155 HD11 LEU 19 1HD1 LEU 19 -17.238 -12.667 -2.730
156 HD12 LEU 19 2HD1 LEU 19 -18.354 -14.030 -2.791
157 HD13 LEU 19 3HD1 LEU 19 -16.617 -14.317 -2.698
158 HD21 LEU 19 3HD2 LEU 19 -18.833 -15.108 0.002
159 HD22 LEU 19 1HD2 LEU 19 -17.145 -15.303 0.475
160 HD23 LEU 19 2HD2 LEU 19 -17.670 -15.787 -1.138
Start of MODEL 12
1 H1 MET 1 H MET 1 0.260 0.759 0.702
2 HA MET 1 HA MET 1 1.245 1.481 -1.868
3 HB2 MET 1 2HB MET 1 2.409 2.130 0.182
4 HB3 MET 1 3HB MET 1 2.708 0.440 0.565
5 HG2 MET 1 2HG MET 1 4.647 0.649 -0.477
6 HG3 MET 1 3HG MET 1 3.741 0.752 -1.985
7 HE1 MET 1 3HE MET 1 6.714 2.615 -2.068
8 HE2 MET 1 1HE MET 1 6.682 3.473 -0.527
9 HE3 MET 1 2HE MET 1 6.449 1.725 -0.567
10 H TRP 2 H TRP 2 1.183 -1.544 -0.027
11 HA TRP 2 HA TRP 2 2.305 -2.966 -2.329
12 HB2 TRP 2 2HB TRP 2 1.904 -3.712 0.562
13 HB3 TRP 2 3HB TRP 2 2.281 -4.923 -0.662
14 HD1 TRP 2 HD1 TRP 2 3.862 -2.191 1.417
15 HE1 TRP 2 HE1 TRP 2 6.404 -2.179 1.015
16 HE3 TRP 2 HE3 TRP 2 4.071 -5.415 -2.544
17 HZ2 TRP 2 HZ2 TRP 2 8.253 -3.378 -0.749
18 HZ3 TRP 2 HZ3 TRP 2 6.266 -5.930 -3.531
19 HH2 TRP 2 HH2 TRP 2 8.312 -4.931 -2.651
20 H LYS 3 H LYS 3 -0.620 -2.607 -0.466
21 HA LYS 3 HA LYS 3 -1.936 -4.867 -1.689
22 HB2 LYS 3 2HB LYS 3 -3.914 -4.105 -0.449
23 HB3 LYS 3 3HB LYS 3 -2.506 -4.229 0.597
24 HG2 LYS 3 2HG LYS 3 -2.397 -1.622 -0.239
25 HG3 LYS 3 3HG LYS 3 -4.132 -1.913 -0.093
26 HD2 LYS 3 2HD LYS 3 -2.177 -2.645 2.074
27 HD3 LYS 3 3HD LYS 3 -2.945 -1.058 1.983
28 HE2 LYS 3 2HE LYS 3 -4.524 -2.023 3.262
29 HE3 LYS 3 3HE LYS 3 -5.099 -2.674 1.728
30 HZ1 LYS 3 3HZ LYS 3 -3.033 -4.260 2.944
31 HZ2 LYS 3 1HZ LYS 3 -4.531 -4.733 2.314
32 HZ3 LYS 3 2HZ LYS 3 -4.427 -4.143 3.896
33 H THR 4 H THR 4 -1.258 -1.709 -2.608
34 HA THR 4 HA THR 4 -3.497 -0.768 -3.893
35 HB THR 4 HB THR 4 -1.271 -0.324 -5.634
36 HG1 THR 4 HG1 THR 4 0.190 0.510 -4.043
37 HG21 THR 4 3HG2 THR 4 -2.781 1.416 -5.464
38 HG22 THR 4 1HG2 THR 4 -1.476 1.989 -4.426
39 HG23 THR 4 2HG2 THR 4 -2.917 1.266 -3.712
40 HA PRO 5 HA PRO 5 -2.344 -3.253 -7.872
41 HB2 PRO 5 2HB PRO 5 -0.407 -5.142 -7.648
42 HB3 PRO 5 3HB PRO 5 -0.064 -3.460 -8.070
43 HG2 PRO 5 2HG PRO 5 0.172 -4.834 -5.421
44 HG3 PRO 5 3HG PRO 5 1.287 -3.690 -6.192
45 HD2 PRO 5 2HD PRO 5 -0.450 -2.948 -4.251
46 HD3 PRO 5 3HD PRO 5 0.040 -1.856 -5.562
47 H THR 6 H THR 6 -1.856 -5.130 -4.893
48 HA THR 6 HA THR 6 -2.924 -7.554 -5.707
49 HB THR 6 HB THR 6 -3.244 -8.102 -3.407
50 HG1 THR 6 HG1 THR 6 -4.393 -6.404 -2.588
51 HG21 THR 6 3HG2 THR 6 -0.866 -6.942 -4.358
52 HG22 THR 6 1HG2 THR 6 -1.049 -8.080 -3.024
53 HG23 THR 6 2HG2 THR 6 -1.081 -6.344 -2.713
54 H LEU 7 H LEU 7 -4.553 -4.613 -4.707
55 HA LEU 7 HA LEU 7 -7.159 -5.908 -4.758
56 HB2 LEU 7 2HB LEU 7 -6.348 -3.058 -4.210
57 HB3 LEU 7 3HB LEU 7 -8.002 -3.662 -4.135
58 HG LEU 7 HG LEU 7 -5.878 -4.890 -2.422
59 HD11 LEU 7 1HD1 LEU 7 -5.949 -2.319 -2.241
60 HD12 LEU 7 2HD1 LEU 7 -6.059 -3.278 -0.765
61 HD13 LEU 7 3HD1 LEU 7 -7.515 -2.573 -1.469
62 HD21 LEU 7 3HD2 LEU 7 -8.176 -4.765 -0.991
63 HD22 LEU 7 1HD2 LEU 7 -7.707 -6.127 -2.009
64 HD23 LEU 7 2HD2 LEU 7 -8.807 -4.897 -2.633
65 H LYS 8 H LYS 8 -5.076 -4.352 -6.908
66 HA LYS 8 HA LYS 8 -7.183 -3.321 -8.628
67 HB2 LYS 8 2HB LYS 8 -4.972 -2.143 -8.279
68 HB3 LYS 8 3HB LYS 8 -4.220 -3.441 -9.198
69 HG2 LYS 8 2HG LYS 8 -4.953 -2.648 -11.164
70 HG3 LYS 8 3HG LYS 8 -6.520 -2.170 -10.507
71 HD2 LYS 8 2HD LYS 8 -5.628 -0.107 -10.933
72 HD3 LYS 8 3HD LYS 8 -5.055 -0.345 -9.281
73 HE2 LYS 8 2HE LYS 8 -3.012 0.059 -10.081
74 HE3 LYS 8 3HE LYS 8 -3.100 -1.541 -10.815
75 HZ1 LYS 8 3HZ LYS 8 -2.732 -0.401 -12.694
76 HZ2 LYS 8 1HZ LYS 8 -3.264 1.071 -12.051
77 HZ3 LYS 8 2HZ LYS 8 -4.386 -0.055 -12.627
78 H TYR 9 H TYR 9 -4.396 -5.487 -9.161
79 HA TYR 9 HA TYR 9 -5.742 -6.719 -11.406
80 HB2 TYR 9 2HB TYR 9 -3.043 -6.414 -10.548
81 HB3 TYR 9 3HB TYR 9 -3.371 -8.136 -10.696
82 HD1 TYR 9 HD1 TYR 9 -3.448 -4.920 -12.535
83 HD2 TYR 9 HD2 TYR 9 -3.529 -9.165 -12.817
84 HE1 TYR 9 HE1 TYR 9 -3.160 -4.758 -14.972
85 HE2 TYR 9 HE2 TYR 9 -3.239 -9.015 -15.255
86 HH TYR 9 HH TYR 9 -3.664 -6.174 -16.983
87 H PHE 10 H PHE 10 -4.630 -7.681 -8.181
88 HA PHE 10 HA PHE 10 -5.805 -10.317 -8.465
89 HB2 PHE 10 2HB PHE 10 -3.922 -9.016 -6.642
90 HB3 PHE 10 3HB PHE 10 -5.075 -10.058 -5.815
91 HD1 PHE 10 HD2 PHE 10 -5.189 -12.460 -6.371
92 HD2 PHE 10 HD1 PHE 10 -2.195 -9.910 -7.999
93 HE1 PHE 10 HE2 PHE 10 -3.855 -14.430 -6.995
94 HE2 PHE 10 HE1 PHE 10 -0.856 -11.877 -8.627
95 HZ PHE 10 HZ PHE 10 -1.685 -14.141 -8.124
96 H GLY 11 H GLY 11 -6.980 -7.315 -7.770
97 HA2 GLY 11 2HA GLY 11 -8.581 -7.534 -5.537
98 HA3 GLY 11 3HA GLY 11 -9.015 -6.610 -6.968
99 H GLY 12 H GLY 12 -9.729 -8.169 -8.860
100 HA2 GLY 12 2HA GLY 12 -12.190 -9.251 -8.154
101 HA3 GLY 12 3HA GLY 12 -11.331 -9.613 -9.645
102 H PHE 13 H PHE 13 -9.044 -10.689 -7.995
103 HA PHE 13 HA PHE 13 -10.029 -13.399 -7.877
104 HB2 PHE 13 2HB PHE 13 -7.778 -12.792 -8.798
105 HB3 PHE 13 3HB PHE 13 -7.277 -12.370 -7.164
106 HD1 PHE 13 HD1 PHE 13 -7.656 -14.264 -5.376
107 HD2 PHE 13 HD2 PHE 13 -7.342 -14.909 -9.571
108 HE1 PHE 13 HE1 PHE 13 -7.020 -16.605 -4.965
109 HE2 PHE 13 HE2 PHE 13 -6.707 -17.251 -9.167
110 HZ PHE 13 HZ PHE 13 -6.546 -18.102 -6.862
111 H ASN 14 H ASN 14 -9.098 -10.884 -5.630
112 HA ASN 14 HA ASN 14 -8.939 -12.508 -3.314
113 HB2 ASN 14 2HB ASN 14 -9.464 -9.548 -3.639
114 HB3 ASN 14 3HB ASN 14 -9.194 -10.334 -2.087
115 HD21 ASN 14 1HD2 ASN 14 -7.160 -11.849 -2.220
116 HD22 ASN 14 2HD2 ASN 14 -5.747 -11.075 -2.844
117 H PHE 15 H PHE 15 -11.546 -11.699 -5.227
118 HA PHE 15 HA PHE 15 -13.659 -11.072 -3.646
119 HB2 PHE 15 2HB PHE 15 -13.303 -12.390 -6.168
120 HB3 PHE 15 3HB PHE 15 -14.584 -13.199 -5.272
121 HD1 PHE 15 HD1 PHE 15 -13.851 -9.632 -4.862
122 HD2 PHE 15 HD2 PHE 15 -16.332 -12.520 -6.765
123 HE1 PHE 15 HE1 PHE 15 -15.422 -7.852 -5.509
124 HE2 PHE 15 HE2 PHE 15 -17.906 -10.745 -7.416
125 HZ PHE 15 HZ PHE 15 -17.451 -8.407 -6.788
126 H SER 16 H SER 16 -11.958 -14.127 -3.750
127 HA SER 16 HA SER 16 -13.869 -15.581 -2.203
128 HB2 SER 16 2HB SER 16 -11.936 -17.216 -1.942
129 HB3 SER 16 3HB SER 16 -12.432 -16.869 -3.598
130 HG SER 16 HG SER 16 -10.097 -16.179 -2.252
131 H GLN 17 H GLN 17 -10.984 -13.711 -1.486
132 HA GLN 17 HA GLN 17 -11.148 -14.396 1.344
133 HB2 GLN 17 2HB GLN 17 -9.015 -13.887 -0.308
134 HB3 GLN 17 3HB GLN 17 -9.196 -12.358 0.543
135 HG2 GLN 17 2HG GLN 17 -8.743 -13.300 2.604
136 HG3 GLN 17 3HG GLN 17 -9.154 -14.927 2.063
137 HE21 GLN 17 1HE2 GLN 17 -6.925 -12.371 1.005
138 HE22 GLN 17 2HE2 GLN 17 -5.533 -13.390 0.908
139 H ILE 18 H ILE 18 -11.032 -11.421 -0.621
140 HA ILE 18 HA ILE 18 -11.872 -9.754 1.536
141 HB ILE 18 HB ILE 18 -12.076 -7.984 -0.136
142 HG12 ILE 18 2HG1 ILE 18 -11.067 -9.317 -2.450
143 HG13 ILE 18 3HG1 ILE 18 -12.500 -10.179 -1.900
144 HG21 ILE 18 1HG2 ILE 18 -9.688 -8.369 -1.181
145 HG22 ILE 18 2HG2 ILE 18 -9.896 -8.073 0.545
146 HG23 ILE 18 3HG2 ILE 18 -9.662 -9.718 -0.046
147 HD11 ILE 18 3HD1 ILE 18 -12.729 -8.236 -3.592
148 HD12 ILE 18 1HD1 ILE 18 -13.882 -8.377 -2.265
149 HD13 ILE 18 2HD1 ILE 18 -12.562 -7.210 -2.168
150 H LEU 19 H LEU 19 -13.535 -11.951 -0.324
151 HA LEU 19 HA LEU 19 -15.827 -11.272 -1.272
152 HB2 LEU 19 2HB LEU 19 -15.203 -13.520 -0.221
153 HB3 LEU 19 3HB LEU 19 -15.982 -12.911 1.238
154 HG LEU 19 HG LEU 19 -18.092 -12.676 -0.031
155 HD11 LEU 19 1HD1 LEU 19 -17.140 -12.397 -2.259
156 HD12 LEU 19 2HD1 LEU 19 -18.294 -13.730 -2.221
157 HD13 LEU 19 3HD1 LEU 19 -16.562 -14.064 -2.228
158 HD21 LEU 19 3HD2 LEU 19 -18.571 -15.081 -0.186
159 HD22 LEU 19 1HD2 LEU 19 -17.692 -14.673 1.288
160 HD23 LEU 19 2HD2 LEU 19 -16.844 -15.423 -0.065
Start of MODEL 13
1 H1 MET 1 H MET 1 0.336 0.542 0.701
2 HA MET 1 HA MET 1 1.234 1.560 -1.879
3 HB2 MET 1 2HB MET 1 2.332 1.485 0.738
4 HB3 MET 1 3HB MET 1 3.384 0.531 -0.299
5 HG2 MET 1 2HG MET 1 2.558 3.087 -1.454
6 HG3 MET 1 3HG MET 1 3.514 3.226 0.020
7 HE1 MET 1 3HE MET 1 3.697 3.404 -3.559
8 HE2 MET 1 1HE MET 1 4.673 4.504 -2.586
9 HE3 MET 1 2HE MET 1 5.452 3.416 -3.736
10 H TRP 2 H TRP 2 1.214 -1.430 -0.002
11 HA TRP 2 HA TRP 2 2.395 -2.872 -2.261
12 HB2 TRP 2 2HB TRP 2 2.702 -3.115 0.507
13 HB3 TRP 2 3HB TRP 2 1.742 -4.516 0.038
14 HD1 TRP 2 HD1 TRP 2 5.010 -2.794 -1.185
15 HE1 TRP 2 HE1 TRP 2 6.664 -4.646 -1.865
16 HE3 TRP 2 HE3 TRP 2 2.052 -6.877 -0.336
17 HZ2 TRP 2 HZ2 TRP 2 6.708 -7.464 -2.023
18 HZ3 TRP 2 HZ3 TRP 2 2.975 -9.114 -0.777
19 HH2 TRP 2 HH2 TRP 2 5.255 -9.400 -1.604
20 H LYS 3 H LYS 3 -0.575 -2.496 -0.481
21 HA LYS 3 HA LYS 3 -1.849 -4.789 -1.688
22 HB2 LYS 3 2HB LYS 3 -3.864 -4.007 -0.519
23 HB3 LYS 3 3HB LYS 3 -2.483 -4.106 0.566
24 HG2 LYS 3 2HG LYS 3 -2.666 -1.483 -0.601
25 HG3 LYS 3 3HG LYS 3 -4.184 -1.933 0.179
26 HD2 LYS 3 2HD LYS 3 -1.547 -2.321 1.557
27 HD3 LYS 3 3HD LYS 3 -2.383 -0.768 1.599
28 HE2 LYS 3 2HE LYS 3 -4.326 -1.805 2.603
29 HE3 LYS 3 3HE LYS 3 -3.579 -3.396 2.471
30 HZ1 LYS 3 3HZ LYS 3 -1.760 -2.466 3.923
31 HZ2 LYS 3 1HZ LYS 3 -3.255 -2.709 4.676
32 HZ3 LYS 3 2HZ LYS 3 -2.779 -1.150 4.225
33 H THR 4 H THR 4 -1.160 -1.650 -2.660
34 HA THR 4 HA THR 4 -3.367 -0.747 -4.024
35 HB THR 4 HB THR 4 -1.104 -0.333 -5.720
36 HG1 THR 4 HG1 THR 4 -0.552 0.240 -2.988
37 HG21 THR 4 3HG2 THR 4 -2.100 1.619 -3.674
38 HG22 THR 4 1HG2 THR 4 -3.108 1.163 -5.046
39 HG23 THR 4 2HG2 THR 4 -1.538 1.920 -5.318
40 HA PRO 5 HA PRO 5 -2.108 -3.319 -7.914
41 HB2 PRO 5 2HB PRO 5 -0.173 -5.197 -7.596
42 HB3 PRO 5 3HB PRO 5 0.177 -3.525 -8.049
43 HG2 PRO 5 2HG PRO 5 0.349 -4.835 -5.363
44 HG3 PRO 5 3HG PRO 5 1.480 -3.706 -6.132
45 HD2 PRO 5 2HD PRO 5 -0.306 -2.926 -4.253
46 HD3 PRO 5 3HD PRO 5 0.213 -1.863 -5.577
47 H THR 6 H THR 6 -1.687 -5.129 -4.882
48 HA THR 6 HA THR 6 -2.732 -7.573 -5.667
49 HB THR 6 HB THR 6 -3.098 -8.074 -3.366
50 HG1 THR 6 HG1 THR 6 -3.509 -5.323 -3.183
51 HG21 THR 6 3HG2 THR 6 -0.706 -6.925 -4.285
52 HG22 THR 6 1HG2 THR 6 -0.914 -8.026 -2.924
53 HG23 THR 6 2HG2 THR 6 -0.962 -6.282 -2.663
54 H LEU 7 H LEU 7 -4.387 -4.614 -4.772
55 HA LEU 7 HA LEU 7 -6.989 -5.916 -4.851
56 HB2 LEU 7 2HB LEU 7 -6.124 -3.092 -4.277
57 HB3 LEU 7 3HB LEU 7 -7.814 -3.581 -4.371
58 HG LEU 7 HG LEU 7 -5.801 -4.640 -2.388
59 HD11 LEU 7 1HD1 LEU 7 -7.362 -3.376 -0.793
60 HD12 LEU 7 2HD1 LEU 7 -7.882 -2.490 -2.226
61 HD13 LEU 7 3HD1 LEU 7 -6.192 -2.441 -1.726
62 HD21 LEU 7 3HD2 LEU 7 -7.453 -6.304 -2.817
63 HD22 LEU 7 1HD2 LEU 7 -8.753 -5.114 -2.752
64 HD23 LEU 7 2HD2 LEU 7 -7.866 -5.530 -1.286
65 H LYS 8 H LYS 8 -4.862 -4.404 -6.989
66 HA LYS 8 HA LYS 8 -6.931 -3.417 -8.778
67 HB2 LYS 8 2HB LYS 8 -4.524 -2.423 -8.310
68 HB3 LYS 8 3HB LYS 8 -4.054 -3.563 -9.565
69 HG2 LYS 8 2HG LYS 8 -4.832 -2.241 -11.166
70 HG3 LYS 8 3HG LYS 8 -6.384 -2.051 -10.348
71 HD2 LYS 8 2HD LYS 8 -5.198 -0.393 -8.823
72 HD3 LYS 8 3HD LYS 8 -3.872 -0.436 -9.988
73 HE2 LYS 8 2HE LYS 8 -4.939 1.068 -11.224
74 HE3 LYS 8 3HE LYS 8 -6.257 -0.080 -11.457
75 HZ1 LYS 8 3HZ LYS 8 -7.298 0.745 -9.450
76 HZ2 LYS 8 1HZ LYS 8 -7.033 2.019 -10.530
77 HZ3 LYS 8 2HZ LYS 8 -6.022 1.824 -9.189
78 H TYR 9 H TYR 9 -4.128 -5.588 -9.198
79 HA TYR 9 HA TYR 9 -5.420 -6.874 -11.445
80 HB2 TYR 9 2HB TYR 9 -2.746 -6.525 -10.556
81 HB3 TYR 9 3HB TYR 9 -3.054 -8.256 -10.624
82 HD1 TYR 9 HD2 TYR 9 -3.272 -5.141 -12.642
83 HD2 TYR 9 HD1 TYR 9 -3.015 -9.388 -12.673
84 HE1 TYR 9 HE2 TYR 9 -2.941 -5.097 -15.079
85 HE2 TYR 9 HE1 TYR 9 -2.682 -9.356 -15.110
86 HH TYR 9 HH TYR 9 -2.529 -6.293 -16.903
87 H PHE 10 H PHE 10 -4.379 -7.760 -8.174
88 HA PHE 10 HA PHE 10 -5.542 -10.404 -8.425
89 HB2 PHE 10 2HB PHE 10 -3.705 -9.056 -6.588
90 HB3 PHE 10 3HB PHE 10 -4.874 -10.085 -5.766
91 HD1 PHE 10 HD2 PHE 10 -4.971 -12.499 -6.281
92 HD2 PHE 10 HD1 PHE 10 -1.939 -9.972 -7.876
93 HE1 PHE 10 HE2 PHE 10 -3.616 -14.477 -6.832
94 HE2 PHE 10 HE1 PHE 10 -0.580 -11.947 -8.430
95 HZ PHE 10 HZ PHE 10 -1.417 -14.203 -7.907
96 H GLY 11 H GLY 11 -6.739 -7.391 -7.826
97 HA2 GLY 11 2HA GLY 11 -8.391 -7.564 -5.625
98 HA3 GLY 11 3HA GLY 11 -8.793 -6.672 -7.085
99 H GLY 12 H GLY 12 -9.463 -8.271 -8.959
100 HA2 GLY 12 2HA GLY 12 -11.937 -9.344 -8.286
101 HA3 GLY 12 3HA GLY 12 -11.044 -9.736 -9.748
102 H PHE 13 H PHE 13 -8.792 -10.772 -8.024
103 HA PHE 13 HA PHE 13 -9.775 -13.480 -7.871
104 HB2 PHE 13 2HB PHE 13 -7.504 -12.887 -8.754
105 HB3 PHE 13 3HB PHE 13 -7.042 -12.429 -7.118
106 HD1 PHE 13 HD1 PHE 13 -7.457 -14.286 -5.299
107 HD2 PHE 13 HD2 PHE 13 -7.047 -15.019 -9.472
108 HE1 PHE 13 HE1 PHE 13 -6.826 -16.616 -4.824
109 HE2 PHE 13 HE2 PHE 13 -6.416 -17.351 -9.003
110 HZ PHE 13 HZ PHE 13 -6.306 -18.152 -6.677
111 H ASN 14 H ASN 14 -8.900 -10.916 -5.658
112 HA ASN 14 HA ASN 14 -8.790 -12.490 -3.305
113 HB2 ASN 14 2HB ASN 14 -9.314 -9.538 -3.705
114 HB3 ASN 14 3HB ASN 14 -9.079 -10.291 -2.130
115 HD21 ASN 14 1HD2 ASN 14 -7.038 -11.806 -2.189
116 HD22 ASN 14 2HD2 ASN 14 -5.613 -11.040 -2.795
117 H PHE 15 H PHE 15 -11.355 -11.729 -5.293
118 HA PHE 15 HA PHE 15 -13.505 -11.074 -3.774
119 HB2 PHE 15 2HB PHE 15 -13.088 -12.445 -6.259
120 HB3 PHE 15 3HB PHE 15 -14.388 -13.238 -5.375
121 HD1 PHE 15 HD1 PHE 15 -13.672 -9.661 -5.025
122 HD2 PHE 15 HD2 PHE 15 -16.103 -12.596 -6.921
123 HE1 PHE 15 HE1 PHE 15 -15.231 -7.899 -5.745
124 HE2 PHE 15 HE2 PHE 15 -17.665 -10.839 -7.646
125 HZ PHE 15 HZ PHE 15 -17.230 -8.487 -7.059
126 H SER 16 H SER 16 -11.795 -14.126 -3.774
127 HA SER 16 HA SER 16 -13.738 -15.552 -2.241
128 HB2 SER 16 2HB SER 16 -11.281 -16.149 -3.563
129 HB3 SER 16 3HB SER 16 -11.150 -16.698 -1.892
130 HG SER 16 HG SER 16 -13.301 -17.316 -3.639
131 H GLN 17 H GLN 17 -10.874 -13.659 -1.498
132 HA GLN 17 HA GLN 17 -11.100 -14.284 1.341
133 HB2 GLN 17 2HB GLN 17 -8.932 -13.805 -0.273
134 HB3 GLN 17 3HB GLN 17 -9.135 -12.259 0.540
135 HG2 GLN 17 2HG GLN 17 -9.291 -13.754 2.683
136 HG3 GLN 17 3HG GLN 17 -8.440 -14.921 1.672
137 HE21 GLN 17 1HE2 GLN 17 -8.234 -11.972 3.427
138 HE22 GLN 17 2HE2 GLN 17 -6.539 -11.711 3.220
139 H ILE 18 H ILE 18 -10.947 -11.351 -0.684
140 HA ILE 18 HA ILE 18 -11.839 -9.641 1.417
141 HB ILE 18 HB ILE 18 -12.009 -7.908 -0.296
142 HG12 ILE 18 2HG1 ILE 18 -10.944 -9.287 -2.558
143 HG13 ILE 18 3HG1 ILE 18 -12.387 -10.142 -2.023
144 HG21 ILE 18 1HG2 ILE 18 -9.843 -7.885 0.345
145 HG22 ILE 18 2HG2 ILE 18 -9.614 -9.600 0.011
146 HG23 ILE 18 3HG2 ILE 18 -9.579 -8.433 -1.310
147 HD11 ILE 18 3HD1 ILE 18 -12.539 -8.195 -3.755
148 HD12 ILE 18 1HD1 ILE 18 -13.769 -8.388 -2.506
149 HD13 ILE 18 2HD1 ILE 18 -12.493 -7.185 -2.311
150 H LEU 19 H LEU 19 -13.454 -11.882 -0.433
151 HA LEU 19 HA LEU 19 -15.725 -11.229 -1.446
152 HB2 LEU 19 2HB LEU 19 -15.120 -13.453 -0.333
153 HB3 LEU 19 3HB LEU 19 -15.934 -12.815 1.094
154 HG LEU 19 HG LEU 19 -18.015 -12.613 -0.228
155 HD11 LEU 19 1HD1 LEU 19 -17.012 -12.380 -2.439
156 HD12 LEU 19 2HD1 LEU 19 -18.164 -13.714 -2.399
157 HD13 LEU 19 3HD1 LEU 19 -16.432 -14.044 -2.359
158 HD21 LEU 19 3HD2 LEU 19 -17.708 -14.568 1.133
159 HD22 LEU 19 1HD2 LEU 19 -16.730 -15.338 -0.116
160 HD23 LEU 19 2HD2 LEU 19 -18.449 -15.053 -0.393
Start of MODEL 14
1 H1 MET 1 H MET 1 0.160 0.321 0.449
2 HA MET 1 HA MET 1 1.680 1.303 -1.834
3 HB2 MET 1 2HB MET 1 2.255 0.651 0.964
4 HB3 MET 1 3HB MET 1 3.495 0.101 -0.154
5 HG2 MET 1 2HG MET 1 4.202 2.220 0.466
6 HG3 MET 1 3HG MET 1 3.434 2.474 -1.100
7 HE1 MET 1 3HE MET 1 1.447 5.446 -0.381
8 HE2 MET 1 1HE MET 1 2.819 4.724 -1.222
9 HE3 MET 1 2HE MET 1 1.205 4.041 -1.420
10 H TRP 2 H TRP 2 1.369 -1.746 -0.012
11 HA TRP 2 HA TRP 2 2.465 -3.187 -2.314
12 HB2 TRP 2 2HB TRP 2 2.999 -3.460 0.344
13 HB3 TRP 2 3HB TRP 2 1.777 -4.708 0.117
14 HD1 TRP 2 HD1 TRP 2 2.377 -6.655 -1.726
15 HE1 TRP 2 HE1 TRP 2 4.661 -7.625 -2.412
16 HE3 TRP 2 HE3 TRP 2 5.402 -2.926 0.029
17 HZ2 TRP 2 HZ2 TRP 2 7.384 -6.904 -2.232
18 HZ3 TRP 2 HZ3 TRP 2 7.834 -3.143 -0.267
19 HH2 TRP 2 HH2 TRP 2 8.803 -5.092 -1.374
20 H LYS 3 H LYS 3 -0.440 -2.834 -0.400
21 HA LYS 3 HA LYS 3 -1.794 -5.041 -1.676
22 HB2 LYS 3 2HB LYS 3 -3.741 -4.322 -0.375
23 HB3 LYS 3 3HB LYS 3 -2.314 -4.463 0.643
24 HG2 LYS 3 2HG LYS 3 -2.363 -1.809 -0.265
25 HG3 LYS 3 3HG LYS 3 -4.017 -2.205 0.207
26 HD2 LYS 3 2HD LYS 3 -3.237 -2.944 2.390
27 HD3 LYS 3 3HD LYS 3 -1.566 -2.626 1.918
28 HE2 LYS 3 2HE LYS 3 -2.151 -0.243 1.610
29 HE3 LYS 3 3HE LYS 3 -3.779 -0.594 2.189
30 HZ1 LYS 3 3HZ LYS 3 -1.251 -0.850 3.722
31 HZ2 LYS 3 1HZ LYS 3 -2.756 -1.383 4.282
32 HZ3 LYS 3 2HZ LYS 3 -2.497 0.263 3.990
33 H THR 4 H THR 4 -1.105 -1.860 -2.501
34 HA THR 4 HA THR 4 -3.356 -0.858 -3.717
35 HB THR 4 HB THR 4 -1.196 -0.346 -5.495
36 HG1 THR 4 HG1 THR 4 0.491 0.002 -4.171
37 HG21 THR 4 3HG2 THR 4 -2.649 1.411 -5.130
38 HG22 THR 4 1HG2 THR 4 -1.279 1.885 -4.126
39 HG23 THR 4 2HG2 THR 4 -2.701 1.146 -3.387
40 HA PRO 5 HA PRO 5 -2.293 -3.221 -7.794
41 HB2 PRO 5 2HB PRO 5 -0.371 -5.134 -7.665
42 HB3 PRO 5 3HB PRO 5 -0.019 -3.442 -8.038
43 HG2 PRO 5 2HG PRO 5 0.249 -4.904 -5.439
44 HG3 PRO 5 3HG PRO 5 1.361 -3.745 -6.191
45 HD2 PRO 5 2HD PRO 5 -0.335 -3.052 -4.198
46 HD3 PRO 5 3HD PRO 5 0.142 -1.922 -5.481
47 H THR 6 H THR 6 -1.770 -5.202 -4.889
48 HA THR 6 HA THR 6 -2.877 -7.587 -5.764
49 HB THR 6 HB THR 6 -3.154 -8.213 -3.480
50 HG1 THR 6 HG1 THR 6 -3.522 -5.472 -3.128
51 HG21 THR 6 3HG2 THR 6 -0.953 -8.213 -3.131
52 HG22 THR 6 1HG2 THR 6 -0.968 -6.488 -2.768
53 HG23 THR 6 2HG2 THR 6 -0.787 -7.037 -4.434
54 H LEU 7 H LEU 7 -4.456 -4.666 -4.637
55 HA LEU 7 HA LEU 7 -7.076 -5.934 -4.678
56 HB2 LEU 7 2HB LEU 7 -5.913 -3.529 -3.536
57 HB3 LEU 7 3HB LEU 7 -7.458 -3.218 -4.324
58 HG LEU 7 HG LEU 7 -7.005 -5.260 -2.148
59 HD11 LEU 7 1HD1 LEU 7 -8.455 -3.611 -0.852
60 HD12 LEU 7 2HD1 LEU 7 -8.019 -2.436 -2.092
61 HD13 LEU 7 3HD1 LEU 7 -6.763 -3.180 -1.102
62 HD21 LEU 7 3HD2 LEU 7 -9.537 -5.146 -2.080
63 HD22 LEU 7 1HD2 LEU 7 -8.825 -5.975 -3.465
64 HD23 LEU 7 2HD2 LEU 7 -9.445 -4.333 -3.643
65 H LYS 8 H LYS 8 -5.020 -4.327 -6.817
66 HA LYS 8 HA LYS 8 -7.149 -3.221 -8.460
67 HB2 LYS 8 2HB LYS 8 -4.975 -2.029 -8.149
68 HB3 LYS 8 3HB LYS 8 -4.180 -3.336 -9.017
69 HG2 LYS 8 2HG LYS 8 -5.373 -2.816 -11.025
70 HG3 LYS 8 3HG LYS 8 -6.375 -1.635 -10.178
71 HD2 LYS 8 2HD LYS 8 -4.876 -0.140 -10.926
72 HD3 LYS 8 3HD LYS 8 -3.864 -0.738 -9.609
73 HE2 LYS 8 2HE LYS 8 -3.352 -2.558 -11.570
74 HE3 LYS 8 3HE LYS 8 -3.597 -1.087 -12.510
75 HZ1 LYS 8 3HZ LYS 8 -1.759 -1.244 -10.188
76 HZ2 LYS 8 1HZ LYS 8 -1.879 0.002 -11.326
77 HZ3 LYS 8 2HZ LYS 8 -1.262 -1.505 -11.784
78 H TYR 9 H TYR 9 -4.393 -5.393 -9.118
79 HA TYR 9 HA TYR 9 -5.793 -6.539 -11.376
80 HB2 TYR 9 2HB TYR 9 -3.097 -6.213 -10.656
81 HB3 TYR 9 3HB TYR 9 -3.379 -7.950 -10.654
82 HD1 TYR 9 HD2 TYR 9 -3.429 -4.904 -12.724
83 HD2 TYR 9 HD1 TYR 9 -3.767 -9.145 -12.693
84 HE1 TYR 9 HE2 TYR 9 -3.234 -4.932 -15.176
85 HE2 TYR 9 HE1 TYR 9 -3.572 -9.185 -15.144
86 HH TYR 9 HH TYR 9 -2.409 -6.770 -16.935
87 H PHE 10 H PHE 10 -4.630 -7.616 -8.206
88 HA PHE 10 HA PHE 10 -5.835 -10.231 -8.553
89 HB2 PHE 10 2HB PHE 10 -3.907 -9.007 -6.723
90 HB3 PHE 10 3HB PHE 10 -5.053 -10.068 -5.912
91 HD1 PHE 10 HD2 PHE 10 -5.203 -12.448 -6.558
92 HD2 PHE 10 HD1 PHE 10 -2.207 -9.866 -8.132
93 HE1 PHE 10 HE2 PHE 10 -3.896 -14.406 -7.275
94 HE2 PHE 10 HE1 PHE 10 -0.896 -11.820 -8.852
95 HZ PHE 10 HZ PHE 10 -1.740 -14.094 -8.423
96 H GLY 11 H GLY 11 -6.968 -7.243 -7.738
97 HA2 GLY 11 2HA GLY 11 -8.529 -7.521 -5.483
98 HA3 GLY 11 3HA GLY 11 -8.980 -6.546 -6.874
99 H GLY 12 H GLY 12 -9.746 -8.034 -8.802
100 HA2 GLY 12 2HA GLY 12 -12.203 -9.116 -8.086
101 HA3 GLY 12 3HA GLY 12 -11.377 -9.436 -9.604
102 H PHE 13 H PHE 13 -9.069 -10.588 -8.035
103 HA PHE 13 HA PHE 13 -10.078 -13.291 -7.989
104 HB2 PHE 13 2HB PHE 13 -7.839 -12.674 -8.932
105 HB3 PHE 13 3HB PHE 13 -7.304 -12.311 -7.295
106 HD1 PHE 13 HD1 PHE 13 -7.667 -14.261 -5.564
107 HD2 PHE 13 HD2 PHE 13 -7.439 -14.767 -9.784
108 HE1 PHE 13 HE1 PHE 13 -7.046 -16.620 -5.244
109 HE2 PHE 13 HE2 PHE 13 -6.819 -17.127 -9.471
110 HZ PHE 13 HZ PHE 13 -6.622 -18.057 -7.199
111 H ASN 14 H ASN 14 -9.081 -10.861 -5.677
112 HA ASN 14 HA ASN 14 -8.893 -12.564 -3.420
113 HB2 ASN 14 2HB ASN 14 -9.396 -9.589 -3.637
114 HB3 ASN 14 3HB ASN 14 -9.105 -10.430 -2.117
115 HD21 ASN 14 1HD2 ASN 14 -7.088 -11.958 -2.341
116 HD22 ASN 14 2HD2 ASN 14 -5.679 -11.176 -2.964
117 H PHE 15 H PHE 15 -11.529 -11.667 -5.255
118 HA PHE 15 HA PHE 15 -13.605 -11.076 -3.613
119 HB2 PHE 15 2HB PHE 15 -13.309 -12.310 -6.185
120 HB3 PHE 15 3HB PHE 15 -14.581 -13.138 -5.292
121 HD1 PHE 15 HD2 PHE 15 -13.808 -9.593 -4.776
122 HD2 PHE 15 HD1 PHE 15 -16.349 -12.395 -6.729
123 HE1 PHE 15 HE2 PHE 15 -15.374 -7.779 -5.333
124 HE2 PHE 15 HE1 PHE 15 -17.918 -10.585 -7.290
125 HZ PHE 15 HZ PHE 15 -17.433 -8.274 -6.591
126 H SER 16 H SER 16 -11.935 -14.140 -3.852
127 HA SER 16 HA SER 16 -13.831 -15.628 -2.319
128 HB2 SER 16 2HB SER 16 -12.185 -17.399 -2.330
129 HB3 SER 16 3HB SER 16 -12.210 -16.654 -3.928
130 HG SER 16 HG SER 16 -10.327 -15.572 -3.433
131 H GLN 17 H GLN 17 -10.916 -13.809 -1.594
132 HA GLN 17 HA GLN 17 -11.032 -14.587 1.214
133 HB2 GLN 17 2HB GLN 17 -8.926 -14.041 -0.462
134 HB3 GLN 17 3HB GLN 17 -9.076 -12.541 0.444
135 HG2 GLN 17 2HG GLN 17 -9.269 -14.629 2.316
136 HG3 GLN 17 3HG GLN 17 -7.928 -15.029 1.244
137 HE21 GLN 17 1HE2 GLN 17 -6.976 -12.536 0.625
138 HE22 GLN 17 2HE2 GLN 17 -6.340 -11.788 2.046
139 H ILE 18 H ILE 18 -10.925 -11.549 -0.653
140 HA ILE 18 HA ILE 18 -11.708 -9.948 1.574
141 HB ILE 18 HB ILE 18 -11.927 -8.121 -0.033
142 HG12 ILE 18 2HG1 ILE 18 -10.974 -9.385 -2.410
143 HG13 ILE 18 3HG1 ILE 18 -12.404 -10.252 -1.862
144 HG21 ILE 18 1HG2 ILE 18 -9.542 -8.666 -1.189
145 HG22 ILE 18 2HG2 ILE 18 -9.736 -8.119 0.476
146 HG23 ILE 18 3HG2 ILE 18 -9.547 -9.838 0.130
147 HD11 ILE 18 3HD1 ILE 18 -12.543 -7.297 -1.920
148 HD12 ILE 18 1HD1 ILE 18 -12.539 -8.150 -3.463
149 HD13 ILE 18 2HD1 ILE 18 -13.784 -8.501 -2.264
150 H LEU 19 H LEU 19 -13.427 -12.066 -0.326
151 HA LEU 19 HA LEU 19 -15.729 -11.336 -1.207
152 HB2 LEU 19 2HB LEU 19 -15.107 -13.623 -0.243
153 HB3 LEU 19 3HB LEU 19 -15.853 -13.057 1.250
154 HG LEU 19 HG LEU 19 -17.984 -12.760 0.029
155 HD11 LEU 19 1HD1 LEU 19 -17.071 -12.415 -2.206
156 HD12 LEU 19 2HD1 LEU 19 -18.237 -13.738 -2.190
157 HD13 LEU 19 3HD1 LEU 19 -16.509 -14.087 -2.241
158 HD21 LEU 19 3HD2 LEU 19 -17.714 -14.779 1.258
159 HD22 LEU 19 1HD2 LEU 19 -16.700 -15.484 -0.001
160 HD23 LEU 19 2HD2 LEU 19 -18.417 -15.210 -0.302
Start of MODEL 15
1 H1 MET 1 H MET 1 3.023 0.991 0.589
2 HA MET 1 HA MET 1 0.786 0.692 -1.176
3 HB2 MET 1 2HB MET 1 3.675 1.353 -1.774
4 HB3 MET 1 3HB MET 1 2.345 1.486 -2.917
5 HG2 MET 1 2HG MET 1 1.426 3.313 -1.835
6 HG3 MET 1 3HG MET 1 2.256 2.960 -0.321
7 HE1 MET 1 3HE MET 1 2.615 5.944 -0.754
8 HE2 MET 1 1HE MET 1 3.388 6.443 -2.259
9 HE3 MET 1 2HE MET 1 1.849 5.584 -2.302
10 H TRP 2 H TRP 2 1.568 -1.766 0.032
11 HA TRP 2 HA TRP 2 2.803 -3.270 -2.156
12 HB2 TRP 2 2HB TRP 2 3.522 -3.526 0.290
13 HB3 TRP 2 3HB TRP 2 1.998 -4.377 0.530
14 HD1 TRP 2 HD1 TRP 2 5.088 -4.671 -1.812
15 HE1 TRP 2 HE1 TRP 2 5.541 -7.175 -2.203
16 HE3 TRP 2 HE3 TRP 2 1.168 -6.627 0.823
17 HZ2 TRP 2 HZ2 TRP 2 4.389 -9.651 -1.489
18 HZ3 TRP 2 HZ3 TRP 2 0.914 -9.072 0.920
19 HH2 TRP 2 HH2 TRP 2 2.492 -10.551 -0.213
20 H LYS 3 H LYS 3 -0.207 -2.897 -0.411
21 HA LYS 3 HA LYS 3 -1.463 -5.158 -1.693
22 HB2 LYS 3 2HB LYS 3 -3.501 -4.383 -0.536
23 HB3 LYS 3 3HB LYS 3 -2.139 -4.564 0.562
24 HG2 LYS 3 2HG LYS 3 -2.006 -2.342 0.990
25 HG3 LYS 3 3HG LYS 3 -2.569 -1.885 -0.619
26 HD2 LYS 3 2HD LYS 3 -4.825 -2.930 0.204
27 HD3 LYS 3 3HD LYS 3 -4.143 -2.635 1.805
28 HE2 LYS 3 2HE LYS 3 -4.159 -0.465 -0.254
29 HE3 LYS 3 3HE LYS 3 -5.615 -0.814 0.677
30 HZ1 LYS 3 3HZ LYS 3 -4.731 0.586 2.155
31 HZ2 LYS 3 1HZ LYS 3 -3.176 0.482 1.498
32 HZ3 LYS 3 2HZ LYS 3 -3.715 -0.697 2.585
33 H THR 4 H THR 4 -0.761 -2.001 -2.582
34 HA THR 4 HA THR 4 -2.958 -1.060 -3.941
35 HB THR 4 HB THR 4 -0.679 -0.601 -5.604
36 HG1 THR 4 HG1 THR 4 0.800 0.108 -4.051
37 HG21 THR 4 3HG2 THR 4 -0.925 1.698 -4.345
38 HG22 THR 4 1HG2 THR 4 -2.409 0.962 -3.742
39 HG23 THR 4 2HG2 THR 4 -2.162 1.153 -5.478
40 HA PRO 5 HA PRO 5 -1.662 -3.528 -7.885
41 HB2 PRO 5 2HB PRO 5 0.276 -5.408 -7.603
42 HB3 PRO 5 3HB PRO 5 0.624 -3.723 -8.008
43 HG2 PRO 5 2HG PRO 5 0.781 -5.104 -5.357
44 HG3 PRO 5 3HG PRO 5 1.914 -3.952 -6.087
45 HD2 PRO 5 2HD PRO 5 0.111 -3.226 -4.202
46 HD3 PRO 5 3HD PRO 5 0.637 -2.127 -5.493
47 H THR 6 H THR 6 -1.707 -5.092 -4.763
48 HA THR 6 HA THR 6 -2.652 -7.624 -5.697
49 HB THR 6 HB THR 6 -2.911 -8.240 -3.425
50 HG1 THR 6 HG1 THR 6 -3.184 -6.771 -1.788
51 HG21 THR 6 3HG2 THR 6 -0.585 -7.972 -4.044
52 HG22 THR 6 1HG2 THR 6 -0.805 -7.471 -2.368
53 HG23 THR 6 2HG2 THR 6 -0.642 -6.257 -3.637
54 H LEU 7 H LEU 7 -4.151 -4.645 -4.622
55 HA LEU 7 HA LEU 7 -6.805 -5.839 -4.645
56 HB2 LEU 7 2HB LEU 7 -5.601 -3.336 -3.669
57 HB3 LEU 7 3HB LEU 7 -7.246 -3.196 -4.284
58 HG LEU 7 HG LEU 7 -6.426 -5.138 -2.130
59 HD11 LEU 7 1HD1 LEU 7 -8.069 -2.903 -1.297
60 HD12 LEU 7 2HD1 LEU 7 -6.492 -2.384 -1.891
61 HD13 LEU 7 3HD1 LEU 7 -6.598 -3.556 -0.577
62 HD21 LEU 7 3HD2 LEU 7 -8.960 -4.932 -1.709
63 HD22 LEU 7 1HD2 LEU 7 -8.408 -5.917 -3.064
64 HD23 LEU 7 2HD2 LEU 7 -9.028 -4.292 -3.352
65 H LYS 8 H LYS 8 -4.701 -4.324 -6.805
66 HA LYS 8 HA LYS 8 -6.799 -3.195 -8.475
67 HB2 LYS 8 2HB LYS 8 -4.658 -1.997 -8.219
68 HB3 LYS 8 3HB LYS 8 -3.814 -3.365 -8.932
69 HG2 LYS 8 2HG LYS 8 -4.451 -2.840 -11.035
70 HG3 LYS 8 3HG LYS 8 -6.016 -2.205 -10.521
71 HD2 LYS 8 2HD LYS 8 -3.447 -0.768 -9.917
72 HD3 LYS 8 3HD LYS 8 -4.302 -0.542 -11.445
73 HE2 LYS 8 2HE LYS 8 -6.121 -0.346 -9.221
74 HE3 LYS 8 3HE LYS 8 -4.770 0.768 -9.015
75 HZ1 LYS 8 3HZ LYS 8 -5.373 1.979 -10.817
76 HZ2 LYS 8 1HZ LYS 8 -6.908 1.401 -10.399
77 HZ3 LYS 8 2HZ LYS 8 -6.036 0.661 -11.645
78 H TYR 9 H TYR 9 -4.090 -5.440 -9.083
79 HA TYR 9 HA TYR 9 -5.503 -6.588 -11.331
80 HB2 TYR 9 2HB TYR 9 -2.781 -6.410 -10.475
81 HB3 TYR 9 3HB TYR 9 -3.186 -8.109 -10.696
82 HD1 TYR 9 HD2 TYR 9 -4.297 -8.759 -12.935
83 HD2 TYR 9 HD1 TYR 9 -2.231 -5.091 -12.316
84 HE1 TYR 9 HE2 TYR 9 -4.015 -8.514 -15.366
85 HE2 TYR 9 HE1 TYR 9 -1.945 -4.836 -14.745
86 HH TYR 9 HH TYR 9 -2.112 -5.879 -16.739
87 H PHE 10 H PHE 10 -4.393 -7.642 -8.134
88 HA PHE 10 HA PHE 10 -5.665 -10.229 -8.449
89 HB2 PHE 10 2HB PHE 10 -3.707 -9.035 -6.636
90 HB3 PHE 10 3HB PHE 10 -4.890 -10.037 -5.803
91 HD1 PHE 10 HD2 PHE 10 -5.087 -12.424 -6.335
92 HD2 PHE 10 HD1 PHE 10 -2.068 -9.985 -8.081
93 HE1 PHE 10 HE2 PHE 10 -3.849 -14.442 -7.003
94 HE2 PHE 10 HE1 PHE 10 -0.825 -11.999 -8.753
95 HZ PHE 10 HZ PHE 10 -1.714 -14.231 -8.213
96 H GLY 11 H GLY 11 -6.720 -7.200 -7.687
97 HA2 GLY 11 2HA GLY 11 -8.297 -7.393 -5.437
98 HA3 GLY 11 3HA GLY 11 -8.720 -6.437 -6.849
99 H GLY 12 H GLY 12 -9.349 -8.147 -8.765
100 HA2 GLY 12 2HA GLY 12 -11.897 -9.090 -8.034
101 HA3 GLY 12 3HA GLY 12 -11.065 -9.460 -9.537
102 H PHE 13 H PHE 13 -8.788 -10.605 -7.913
103 HA PHE 13 HA PHE 13 -9.835 -13.292 -7.816
104 HB2 PHE 13 2HB PHE 13 -7.576 -12.730 -8.745
105 HB3 PHE 13 3HB PHE 13 -7.057 -12.333 -7.110
106 HD1 PHE 13 HD2 PHE 13 -7.467 -14.234 -5.336
107 HD2 PHE 13 HD1 PHE 13 -7.195 -14.849 -9.539
108 HE1 PHE 13 HE2 PHE 13 -6.883 -16.592 -4.950
109 HE2 PHE 13 HE1 PHE 13 -6.611 -17.209 -9.159
110 HZ PHE 13 HZ PHE 13 -6.453 -18.083 -6.862
111 H ASN 14 H ASN 14 -8.834 -10.823 -5.550
112 HA ASN 14 HA ASN 14 -8.699 -12.473 -3.251
113 HB2 ASN 14 2HB ASN 14 -9.159 -9.498 -3.541
114 HB3 ASN 14 3HB ASN 14 -8.895 -10.308 -2.000
115 HD21 ASN 14 1HD2 ASN 14 -6.891 -11.828 -2.114
116 HD22 ASN 14 2HD2 ASN 14 -5.468 -11.093 -2.761
117 H PHE 15 H PHE 15 -11.298 -11.585 -5.141
118 HA PHE 15 HA PHE 15 -13.387 -10.926 -3.541
119 HB2 PHE 15 2HB PHE 15 -13.075 -12.226 -6.078
120 HB3 PHE 15 3HB PHE 15 -14.370 -13.015 -5.183
121 HD1 PHE 15 HD2 PHE 15 -13.554 -9.469 -4.741
122 HD2 PHE 15 HD1 PHE 15 -16.108 -12.281 -6.661
123 HE1 PHE 15 HE2 PHE 15 -15.087 -7.648 -5.362
124 HE2 PHE 15 HE1 PHE 15 -17.645 -10.464 -7.286
125 HZ PHE 15 HZ PHE 15 -17.136 -8.144 -6.635
126 H SER 16 H SER 16 -11.757 -14.017 -3.685
127 HA SER 16 HA SER 16 -13.693 -15.443 -2.142
128 HB2 SER 16 2HB SER 16 -10.781 -16.099 -2.649
129 HB3 SER 16 3HB SER 16 -12.000 -17.212 -2.028
130 HG SER 16 HG SER 16 -12.329 -17.641 -4.056
131 H GLN 17 H GLN 17 -10.762 -13.647 -1.422
132 HA GLN 17 HA GLN 17 -10.926 -14.356 1.402
133 HB2 GLN 17 2HB GLN 17 -8.792 -13.872 -0.262
134 HB3 GLN 17 3HB GLN 17 -8.932 -12.356 0.619
135 HG2 GLN 17 2HG GLN 17 -7.879 -13.263 2.332
136 HG3 GLN 17 3HG GLN 17 -9.177 -14.444 2.502
137 HE21 GLN 17 1HE2 GLN 17 -6.694 -13.965 0.019
138 HE22 GLN 17 2HE2 GLN 17 -6.024 -15.554 0.137
139 H ILE 18 H ILE 18 -10.752 -11.365 -0.535
140 HA ILE 18 HA ILE 18 -11.541 -9.700 1.642
141 HB ILE 18 HB ILE 18 -11.712 -7.910 -0.011
142 HG12 ILE 18 2HG1 ILE 18 -10.748 -9.243 -2.344
143 HG13 ILE 18 3HG1 ILE 18 -12.198 -10.077 -1.794
144 HG21 ILE 18 1HG2 ILE 18 -9.343 -9.698 0.071
145 HG22 ILE 18 2HG2 ILE 18 -9.338 -8.364 -1.082
146 HG23 ILE 18 3HG2 ILE 18 -9.530 -8.039 0.640
147 HD11 ILE 18 3HD1 ILE 18 -12.155 -7.882 -3.396
148 HD12 ILE 18 1HD1 ILE 18 -13.531 -8.406 -2.426
149 HD13 ILE 18 2HD1 ILE 18 -12.437 -7.168 -1.809
150 H LEU 19 H LEU 19 -13.265 -11.840 -0.230
151 HA LEU 19 HA LEU 19 -15.545 -11.098 -1.158
152 HB2 LEU 19 2HB LEU 19 -14.968 -13.370 -0.132
153 HB3 LEU 19 3HB LEU 19 -15.725 -12.758 1.337
154 HG LEU 19 HG LEU 19 -17.836 -12.461 0.082
155 HD11 LEU 19 1HD1 LEU 19 -16.890 -12.183 -2.148
156 HD12 LEU 19 2HD1 LEU 19 -18.075 -13.488 -2.117
157 HD13 LEU 19 3HD1 LEU 19 -16.351 -13.863 -2.137
158 HD21 LEU 19 3HD2 LEU 19 -17.331 -14.516 1.378
159 HD22 LEU 19 1HD2 LEU 19 -16.738 -15.263 -0.105
160 HD23 LEU 19 2HD2 LEU 19 -18.432 -14.790 0.027
Start of MODEL 16
1 H1 MET 1 H MET 1 0.443 0.583 0.246
2 HA MET 1 HA MET 1 1.855 1.444 -2.129
3 HB2 MET 1 2HB MET 1 2.871 0.266 0.464
4 HB3 MET 1 3HB MET 1 3.887 0.905 -0.821
5 HG2 MET 1 2HG MET 1 1.836 2.514 0.679
6 HG3 MET 1 3HG MET 1 3.551 2.456 1.081
7 HE1 MET 1 3HE MET 1 2.217 5.652 0.057
8 HE2 MET 1 1HE MET 1 3.293 4.816 1.178
9 HE3 MET 1 2HE MET 1 3.966 5.786 -0.132
10 H TRP 2 H TRP 2 1.609 -1.578 -0.255
11 HA TRP 2 HA TRP 2 2.686 -3.045 -2.550
12 HB2 TRP 2 2HB TRP 2 3.575 -3.358 -0.173
13 HB3 TRP 2 3HB TRP 2 2.060 -4.189 0.169
14 HD1 TRP 2 HD1 TRP 2 4.898 -4.492 -2.476
15 HE1 TRP 2 HE1 TRP 2 5.307 -6.997 -2.904
16 HE3 TRP 2 HE3 TRP 2 1.306 -6.436 0.599
17 HZ2 TRP 2 HZ2 TRP 2 4.246 -9.469 -2.051
18 HZ3 TRP 2 HZ3 TRP 2 1.068 -8.881 0.735
19 HH2 TRP 2 HH2 TRP 2 2.508 -10.365 -0.563
20 H LYS 3 H LYS 3 -0.203 -2.662 -0.624
21 HA LYS 3 HA LYS 3 -1.559 -4.905 -1.835
22 HB2 LYS 3 2HB LYS 3 -3.517 -4.107 -0.557
23 HB3 LYS 3 3HB LYS 3 -2.095 -4.314 0.457
24 HG2 LYS 3 2HG LYS 3 -2.264 -1.626 -0.588
25 HG3 LYS 3 3HG LYS 3 -3.721 -2.076 0.301
26 HD2 LYS 3 2HD LYS 3 -1.900 -3.015 2.006
27 HD3 LYS 3 3HD LYS 3 -0.931 -1.745 1.255
28 HE2 LYS 3 2HE LYS 3 -3.652 -0.934 1.995
29 HE3 LYS 3 3HE LYS 3 -2.627 -1.384 3.357
30 HZ1 LYS 3 3HZ LYS 3 -1.009 0.179 1.843
31 HZ2 LYS 3 1HZ LYS 3 -1.860 0.687 3.215
32 HZ3 LYS 3 2HZ LYS 3 -2.512 0.937 1.675
33 H THR 4 H THR 4 -0.884 -1.744 -2.744
34 HA THR 4 HA THR 4 -3.147 -0.781 -3.972
35 HB THR 4 HB THR 4 -0.995 -0.307 -5.772
36 HG1 THR 4 HG1 THR 4 -0.154 0.289 -3.150
37 HG21 THR 4 3HG2 THR 4 -2.661 1.343 -5.300
38 HG22 THR 4 1HG2 THR 4 -1.114 1.979 -4.741
39 HG23 THR 4 2HG2 THR 4 -2.271 1.326 -3.581
40 HA PRO 5 HA PRO 5 -2.097 -3.240 -7.995
41 HB2 PRO 5 2HB PRO 5 -0.166 -5.142 -7.828
42 HB3 PRO 5 3HB PRO 5 0.177 -3.458 -8.245
43 HG2 PRO 5 2HG PRO 5 0.465 -4.854 -5.612
44 HG3 PRO 5 3HG PRO 5 1.568 -3.710 -6.399
45 HD2 PRO 5 2HD PRO 5 -0.120 -2.975 -4.414
46 HD3 PRO 5 3HD PRO 5 0.346 -1.875 -5.728
47 H THR 6 H THR 6 -1.553 -5.143 -5.041
48 HA THR 6 HA THR 6 -2.652 -7.555 -5.849
49 HB THR 6 HB THR 6 -2.923 -8.120 -3.547
50 HG1 THR 6 HG1 THR 6 -2.979 -6.520 -1.930
51 HG21 THR 6 3HG2 THR 6 -0.721 -8.112 -3.213
52 HG22 THR 6 1HG2 THR 6 -0.735 -6.379 -2.888
53 HG23 THR 6 2HG2 THR 6 -0.561 -6.964 -4.543
54 H LEU 7 H LEU 7 -4.242 -4.614 -4.791
55 HA LEU 7 HA LEU 7 -6.855 -5.895 -4.794
56 HB2 LEU 7 2HB LEU 7 -5.957 -4.034 -3.184
57 HB3 LEU 7 3HB LEU 7 -6.453 -2.954 -4.485
58 HG LEU 7 HG LEU 7 -8.749 -4.099 -4.281
59 HD11 LEU 7 1HD1 LEU 7 -7.402 -5.002 -1.752
60 HD12 LEU 7 2HD1 LEU 7 -8.278 -5.970 -2.937
61 HD13 LEU 7 3HD1 LEU 7 -9.154 -4.851 -1.893
62 HD21 LEU 7 3HD2 LEU 7 -9.089 -2.036 -3.515
63 HD22 LEU 7 1HD2 LEU 7 -7.493 -1.971 -2.766
64 HD23 LEU 7 2HD2 LEU 7 -8.847 -2.695 -1.896
65 H LYS 8 H LYS 8 -4.813 -4.333 -6.978
66 HA LYS 8 HA LYS 8 -6.951 -3.276 -8.642
67 HB2 LYS 8 2HB LYS 8 -4.716 -2.123 -8.327
68 HB3 LYS 8 3HB LYS 8 -4.007 -3.411 -9.294
69 HG2 LYS 8 2HG LYS 8 -5.115 -2.735 -11.228
70 HG3 LYS 8 3HG LYS 8 -6.297 -1.780 -10.328
71 HD2 LYS 8 2HD LYS 8 -3.502 -0.959 -9.947
72 HD3 LYS 8 3HD LYS 8 -4.115 -0.757 -11.590
73 HE2 LYS 8 2HE LYS 8 -5.933 0.135 -9.461
74 HE3 LYS 8 3HE LYS 8 -4.432 1.051 -9.590
75 HZ1 LYS 8 3HZ LYS 8 -5.098 0.983 -12.128
76 HZ2 LYS 8 1HZ LYS 8 -5.685 2.177 -11.083
77 HZ3 LYS 8 2HZ LYS 8 -6.652 0.846 -11.475
78 H TYR 9 H TYR 9 -4.189 -5.454 -9.254
79 HA TYR 9 HA TYR 9 -5.593 -6.661 -11.478
80 HB2 TYR 9 2HB TYR 9 -2.890 -6.321 -10.753
81 HB3 TYR 9 3HB TYR 9 -3.181 -8.057 -10.755
82 HD1 TYR 9 HD1 TYR 9 -3.579 -5.006 -12.847
83 HD2 TYR 9 HD2 TYR 9 -3.214 -9.245 -12.768
84 HE1 TYR 9 HE1 TYR 9 -3.383 -5.029 -15.299
85 HE2 TYR 9 HE2 TYR 9 -3.016 -9.279 -15.219
86 HH TYR 9 HH TYR 9 -3.943 -7.031 -17.170
87 H PHE 10 H PHE 10 -4.412 -7.654 -8.286
88 HA PHE 10 HA PHE 10 -5.607 -10.282 -8.563
89 HB2 PHE 10 2HB PHE 10 -3.679 -9.003 -6.771
90 HB3 PHE 10 3HB PHE 10 -4.817 -10.050 -5.930
91 HD1 PHE 10 HD2 PHE 10 -4.959 -12.446 -6.523
92 HD2 PHE 10 HD1 PHE 10 -1.975 -9.888 -8.158
93 HE1 PHE 10 HE2 PHE 10 -3.645 -14.414 -7.195
94 HE2 PHE 10 HE1 PHE 10 -0.657 -11.852 -8.834
95 HZ PHE 10 HZ PHE 10 -1.490 -14.119 -8.351
96 H GLY 11 H GLY 11 -6.751 -7.280 -7.820
97 HA2 GLY 11 2HA GLY 11 -8.304 -7.511 -5.553
98 HA3 GLY 11 3HA GLY 11 -8.763 -6.569 -6.965
99 H GLY 12 H GLY 12 -9.531 -8.102 -8.856
100 HA2 GLY 12 2HA GLY 12 -11.981 -9.177 -8.107
101 HA3 GLY 12 3HA GLY 12 -11.159 -9.528 -9.620
102 H PHE 13 H PHE 13 -8.840 -10.636 -8.035
103 HA PHE 13 HA PHE 13 -9.839 -13.341 -7.925
104 HB2 PHE 13 2HB PHE 13 -7.606 -12.738 -8.891
105 HB3 PHE 13 3HB PHE 13 -7.066 -12.334 -7.265
106 HD1 PHE 13 HD2 PHE 13 -7.414 -14.245 -5.487
107 HD2 PHE 13 HD1 PHE 13 -7.201 -14.849 -9.695
108 HE1 PHE 13 HE2 PHE 13 -6.782 -16.593 -5.115
109 HE2 PHE 13 HE1 PHE 13 -6.570 -17.198 -9.329
110 HZ PHE 13 HZ PHE 13 -6.358 -18.073 -7.037
111 H ASN 14 H ASN 14 -8.844 -10.857 -5.672
112 HA ASN 14 HA ASN 14 -8.642 -12.509 -3.378
113 HB2 ASN 14 2HB ASN 14 -9.088 -9.542 -3.720
114 HB3 ASN 14 3HB ASN 14 -8.933 -10.306 -2.140
115 HD21 ASN 14 1HD2 ASN 14 -6.954 -11.837 -2.051
116 HD22 ASN 14 2HD2 ASN 14 -5.481 -11.158 -2.646
117 H PHE 15 H PHE 15 -11.286 -11.665 -5.224
118 HA PHE 15 HA PHE 15 -13.359 -11.041 -3.588
119 HB2 PHE 15 2HB PHE 15 -13.068 -12.332 -6.132
120 HB3 PHE 15 3HB PHE 15 -14.332 -13.146 -5.217
121 HD1 PHE 15 HD1 PHE 15 -13.573 -9.587 -4.782
122 HD2 PHE 15 HD2 PHE 15 -16.110 -12.442 -6.661
123 HE1 PHE 15 HE1 PHE 15 -15.150 -7.792 -5.372
124 HE2 PHE 15 HE2 PHE 15 -17.691 -10.652 -7.255
125 HZ PHE 15 HZ PHE 15 -17.211 -8.324 -6.611
126 H SER 16 H SER 16 -11.678 -14.103 -3.760
127 HA SER 16 HA SER 16 -13.565 -15.562 -2.186
128 HB2 SER 16 2HB SER 16 -11.557 -16.330 -3.808
129 HB3 SER 16 3HB SER 16 -10.733 -16.453 -2.253
130 HG SER 16 HG SER 16 -12.649 -17.707 -1.589
131 H GLN 17 H GLN 17 -10.655 -13.714 -1.518
132 HA GLN 17 HA GLN 17 -10.749 -14.432 1.307
133 HB2 GLN 17 2HB GLN 17 -8.610 -14.176 -0.169
134 HB3 GLN 17 3HB GLN 17 -8.823 -12.457 0.136
135 HG2 GLN 17 2HG GLN 17 -7.251 -13.534 1.693
136 HG3 GLN 17 3HG GLN 17 -8.631 -12.793 2.502
137 HE21 GLN 17 1HE2 GLN 17 -10.078 -14.063 3.587
138 HE22 GLN 17 2HE2 GLN 17 -9.832 -15.749 3.874
139 H ILE 18 H ILE 18 -10.675 -11.433 -0.624
140 HA ILE 18 HA ILE 18 -11.460 -9.793 1.575
141 HB ILE 18 HB ILE 18 -11.701 -8.001 -0.073
142 HG12 ILE 18 2HG1 ILE 18 -10.722 -9.319 -2.414
143 HG13 ILE 18 3HG1 ILE 18 -12.156 -10.171 -1.854
144 HG21 ILE 18 1HG2 ILE 18 -9.304 -9.682 0.150
145 HG22 ILE 18 2HG2 ILE 18 -9.303 -8.558 -1.208
146 HG23 ILE 18 3HG2 ILE 18 -9.512 -7.954 0.436
147 HD11 ILE 18 3HD1 ILE 18 -12.247 -7.209 -2.035
148 HD12 ILE 18 1HD1 ILE 18 -12.326 -8.156 -3.520
149 HD13 ILE 18 2HD1 ILE 18 -13.531 -8.397 -2.254
150 H LEU 19 H LEU 19 -13.170 -11.960 -0.276
151 HA LEU 19 HA LEU 19 -15.479 -11.262 -1.167
152 HB2 LEU 19 2HB LEU 19 -14.842 -13.524 -0.157
153 HB3 LEU 19 3HB LEU 19 -15.586 -12.931 1.326
154 HG LEU 19 HG LEU 19 -17.722 -12.673 0.107
155 HD11 LEU 19 1HD1 LEU 19 -16.819 -12.368 -2.138
156 HD12 LEU 19 2HD1 LEU 19 -17.977 -13.698 -2.091
157 HD13 LEU 19 3HD1 LEU 19 -16.247 -14.037 -2.141
158 HD21 LEU 19 3HD2 LEU 19 -17.508 -15.403 -0.499
159 HD22 LEU 19 1HD2 LEU 19 -18.097 -14.672 0.994
160 HD23 LEU 19 2HD2 LEU 19 -16.395 -15.110 0.838
Start of MODEL 17
1 H1 MET 1 H MET 1 2.573 0.572 0.097
2 HA MET 1 HA MET 1 2.106 1.091 -2.680
3 HB2 MET 1 2HB MET 1 4.558 0.661 -2.898
4 HB3 MET 1 3HB MET 1 4.151 1.889 -1.707
5 HG2 MET 1 2HG MET 1 4.232 -0.627 -0.396
6 HG3 MET 1 3HG MET 1 5.689 -0.459 -1.373
7 HE1 MET 1 3HE MET 1 3.842 1.079 1.968
8 HE2 MET 1 1HE MET 1 4.601 -0.497 1.746
9 HE3 MET 1 2HE MET 1 5.411 0.745 2.701
10 H TRP 2 H TRP 2 2.454 -1.742 -0.704
11 HA TRP 2 HA TRP 2 2.828 -3.489 -2.999
12 HB2 TRP 2 2HB TRP 2 3.733 -3.686 -0.464
13 HB3 TRP 2 3HB TRP 2 2.262 -4.645 -0.329
14 HD1 TRP 2 HD1 TRP 2 2.466 -5.924 -3.318
15 HE1 TRP 2 HE1 TRP 2 4.194 -7.790 -3.716
16 HE3 TRP 2 HE3 TRP 2 5.585 -4.995 0.624
17 HZ2 TRP 2 HZ2 TRP 2 6.565 -8.742 -2.516
18 HZ3 TRP 2 HZ3 TRP 2 7.561 -6.430 0.929
19 HH2 TRP 2 HH2 TRP 2 8.038 -8.264 -0.610
20 H LYS 3 H LYS 3 0.303 -2.401 -0.875
21 HA LYS 3 HA LYS 3 -1.560 -4.469 -1.619
22 HB2 LYS 3 2HB LYS 3 -3.202 -3.059 -0.369
23 HB3 LYS 3 3HB LYS 3 -1.788 -3.516 0.572
24 HG2 LYS 3 2HG LYS 3 -1.375 -1.391 1.014
25 HG3 LYS 3 3HG LYS 3 -1.249 -1.035 -0.710
26 HD2 LYS 3 2HD LYS 3 -3.451 -0.357 -0.865
27 HD3 LYS 3 3HD LYS 3 -3.947 -1.293 0.547
28 HE2 LYS 3 2HE LYS 3 -3.177 0.294 2.034
29 HE3 LYS 3 3HE LYS 3 -2.019 0.961 0.883
30 HZ1 LYS 3 3HZ LYS 3 -4.435 2.031 1.491
31 HZ2 LYS 3 1HZ LYS 3 -4.746 1.236 0.030
32 HZ3 LYS 3 2HZ LYS 3 -3.519 2.397 0.116
33 H THR 4 H THR 4 -0.666 -1.326 -2.765
34 HA THR 4 HA THR 4 -2.933 -0.489 -4.103
35 HB THR 4 HB THR 4 -0.759 0.077 -5.824
36 HG1 THR 4 HG1 THR 4 0.926 0.294 -4.547
37 HG21 THR 4 3HG2 THR 4 -1.300 2.255 -5.360
38 HG22 THR 4 1HG2 THR 4 -1.529 1.948 -3.639
39 HG23 THR 4 2HG2 THR 4 -2.768 1.459 -4.795
40 HA PRO 5 HA PRO 5 -1.574 -2.972 -8.013
41 HB2 PRO 5 2HB PRO 5 0.477 -4.729 -7.735
42 HB3 PRO 5 3HB PRO 5 0.716 -3.035 -8.180
43 HG2 PRO 5 2HG PRO 5 1.006 -4.351 -5.507
44 HG3 PRO 5 3HG PRO 5 2.055 -3.149 -6.282
45 HD2 PRO 5 2HD PRO 5 0.249 -2.493 -4.374
46 HD3 PRO 5 3HD PRO 5 0.684 -1.391 -5.696
47 H THR 6 H THR 6 -1.698 -4.339 -4.850
48 HA THR 6 HA THR 6 -2.438 -6.990 -5.715
49 HB THR 6 HB THR 6 -2.573 -5.729 -2.969
50 HG1 THR 6 HG1 THR 6 -0.446 -6.092 -4.052
51 HG21 THR 6 3HG2 THR 6 -3.852 -7.508 -2.485
52 HG22 THR 6 1HG2 THR 6 -2.369 -8.449 -2.639
53 HG23 THR 6 2HG2 THR 6 -3.471 -8.308 -4.009
54 H LEU 7 H LEU 7 -4.065 -4.075 -4.627
55 HA LEU 7 HA LEU 7 -6.658 -5.396 -4.623
56 HB2 LEU 7 2HB LEU 7 -5.898 -2.529 -4.083
57 HB3 LEU 7 3HB LEU 7 -7.516 -3.205 -3.904
58 HG LEU 7 HG LEU 7 -5.244 -4.363 -2.343
59 HD11 LEU 7 1HD1 LEU 7 -6.833 -2.214 -1.082
60 HD12 LEU 7 2HD1 LEU 7 -5.573 -1.717 -2.211
61 HD13 LEU 7 3HD1 LEU 7 -5.161 -2.704 -0.808
62 HD21 LEU 7 3HD2 LEU 7 -6.862 -5.437 -1.242
63 HD22 LEU 7 1HD2 LEU 7 -7.921 -4.951 -2.566
64 HD23 LEU 7 2HD2 LEU 7 -7.847 -3.981 -1.095
65 H LYS 8 H LYS 8 -4.656 -3.800 -6.814
66 HA LYS 8 HA LYS 8 -6.819 -2.749 -8.450
67 HB2 LYS 8 2HB LYS 8 -4.802 -1.420 -8.311
68 HB3 LYS 8 3HB LYS 8 -3.822 -2.782 -8.837
69 HG2 LYS 8 2HG LYS 8 -4.418 -2.550 -11.021
70 HG3 LYS 8 3HG LYS 8 -5.999 -1.868 -10.634
71 HD2 LYS 8 2HD LYS 8 -3.613 -0.274 -9.888
72 HD3 LYS 8 3HD LYS 8 -3.996 -0.398 -11.607
73 HE2 LYS 8 2HE LYS 8 -6.393 0.229 -10.878
74 HE3 LYS 8 3HE LYS 8 -5.632 0.772 -9.384
75 HZ1 LYS 8 3HZ LYS 8 -5.901 2.547 -11.054
76 HZ2 LYS 8 1HZ LYS 8 -4.857 1.712 -12.091
77 HZ3 LYS 8 2HZ LYS 8 -4.286 2.302 -10.612
78 H TYR 9 H TYR 9 -4.051 -4.908 -9.100
79 HA TYR 9 HA TYR 9 -5.474 -6.112 -11.315
80 HB2 TYR 9 2HB TYR 9 -2.789 -5.697 -10.721
81 HB3 TYR 9 3HB TYR 9 -2.998 -7.435 -10.542
82 HD1 TYR 9 HD1 TYR 9 -3.661 -8.812 -12.459
83 HD2 TYR 9 HD2 TYR 9 -2.966 -4.636 -12.877
84 HE1 TYR 9 HE1 TYR 9 -3.533 -9.084 -14.900
85 HE2 TYR 9 HE2 TYR 9 -2.837 -4.895 -15.319
86 HH TYR 9 HH TYR 9 -2.387 -7.753 -16.842
87 H PHE 10 H PHE 10 -4.239 -7.114 -8.146
88 HA PHE 10 HA PHE 10 -5.416 -9.750 -8.421
89 HB2 PHE 10 2HB PHE 10 -3.584 -8.414 -6.509
90 HB3 PHE 10 3HB PHE 10 -4.598 -9.697 -5.857
91 HD1 PHE 10 HD1 PHE 10 -4.640 -11.894 -7.336
92 HD2 PHE 10 HD2 PHE 10 -1.533 -8.985 -7.358
93 HE1 PHE 10 HE1 PHE 10 -3.073 -13.579 -8.209
94 HE2 PHE 10 HE2 PHE 10 0.038 -10.664 -8.232
95 HZ PHE 10 HZ PHE 10 -0.731 -12.964 -8.660
96 H GLY 11 H GLY 11 -6.577 -6.762 -7.648
97 HA2 GLY 11 2HA GLY 11 -8.101 -7.032 -5.361
98 HA3 GLY 11 3HA GLY 11 -8.576 -6.068 -6.752
99 H GLY 12 H GLY 12 -8.998 -7.989 -8.670
100 HA2 GLY 12 2HA GLY 12 -11.593 -8.885 -8.031
101 HA3 GLY 12 3HA GLY 12 -10.663 -9.368 -9.442
102 H PHE 13 H PHE 13 -8.558 -10.242 -7.308
103 HA PHE 13 HA PHE 13 -9.580 -12.964 -7.137
104 HB2 PHE 13 2HB PHE 13 -7.130 -12.056 -7.798
105 HB3 PHE 13 3HB PHE 13 -6.892 -12.308 -6.072
106 HD1 PHE 13 HD2 PHE 13 -8.820 -14.680 -5.849
107 HD2 PHE 13 HD1 PHE 13 -5.667 -13.761 -8.557
108 HE1 PHE 13 HE2 PHE 13 -8.469 -17.081 -6.250
109 HE2 PHE 13 HE1 PHE 13 -5.311 -16.162 -8.963
110 HZ PHE 13 HZ PHE 13 -6.713 -17.826 -7.808
111 H ASN 14 H ASN 14 -10.462 -10.656 -5.387
112 HA ASN 14 HA ASN 14 -9.632 -11.626 -2.754
113 HB2 ASN 14 2HB ASN 14 -11.105 -9.154 -3.661
114 HB3 ASN 14 3HB ASN 14 -10.974 -9.603 -1.963
115 HD21 ASN 14 1HD2 ASN 14 -8.458 -10.481 -1.710
116 HD22 ASN 14 2HD2 ASN 14 -7.328 -9.229 -2.085
117 H PHE 15 H PHE 15 -12.269 -11.728 -4.956
118 HA PHE 15 HA PHE 15 -14.510 -12.005 -3.439
119 HB2 PHE 15 2HB PHE 15 -13.671 -12.851 -6.050
120 HB3 PHE 15 3HB PHE 15 -14.631 -14.127 -5.307
121 HD1 PHE 15 HD1 PHE 15 -15.133 -10.577 -4.539
122 HD2 PHE 15 HD2 PHE 15 -16.474 -13.911 -6.820
123 HE1 PHE 15 HE1 PHE 15 -17.191 -9.355 -5.109
124 HE2 PHE 15 HE2 PHE 15 -18.534 -12.694 -7.394
125 HZ PHE 15 HZ PHE 15 -18.894 -10.413 -6.539
126 H SER 16 H SER 16 -11.889 -14.308 -3.779
127 HA SER 16 HA SER 16 -13.211 -16.474 -2.486
128 HB2 SER 16 2HB SER 16 -10.480 -16.879 -2.127
129 HB3 SER 16 3HB SER 16 -11.455 -17.472 -3.471
130 HG SER 16 HG SER 16 -9.447 -15.894 -3.682
131 H GLN 17 H GLN 17 -11.193 -13.815 -1.400
132 HA GLN 17 HA GLN 17 -11.183 -14.834 1.333
133 HB2 GLN 17 2HB GLN 17 -9.341 -13.388 -0.142
134 HB3 GLN 17 3HB GLN 17 -10.043 -12.179 0.924
135 HG2 GLN 17 2HG GLN 17 -9.328 -14.698 2.238
136 HG3 GLN 17 3HG GLN 17 -7.969 -13.799 1.566
137 HE21 GLN 17 1HE2 GLN 17 -8.330 -11.297 2.004
138 HE22 GLN 17 2HE2 GLN 17 -8.617 -10.923 3.666
139 H ILE 18 H ILE 18 -12.080 -11.816 -0.343
140 HA ILE 18 HA ILE 18 -13.501 -10.785 1.908
141 HB ILE 18 HB ILE 18 -14.244 -9.009 0.426
142 HG12 ILE 18 2HG1 ILE 18 -12.879 -9.621 -1.987
143 HG13 ILE 18 3HG1 ILE 18 -13.874 -11.016 -1.585
144 HG21 ILE 18 1HG2 ILE 18 -11.367 -9.835 0.193
145 HG22 ILE 18 2HG2 ILE 18 -11.959 -8.308 -0.458
146 HG23 ILE 18 3HG2 ILE 18 -12.087 -8.638 1.269
147 HD11 ILE 18 3HD1 ILE 18 -14.800 -9.019 -3.021
148 HD12 ILE 18 1HD1 ILE 18 -15.822 -9.878 -1.869
149 HD13 ILE 18 2HD1 ILE 18 -15.111 -8.325 -1.430
150 H LEU 19 H LEU 19 -14.236 -13.204 -0.249
151 HA LEU 19 HA LEU 19 -16.597 -13.259 -1.272
152 HB2 LEU 19 2HB LEU 19 -15.233 -15.247 -0.370
153 HB3 LEU 19 3HB LEU 19 -16.268 -15.125 1.052
154 HG LEU 19 HG LEU 19 -18.237 -15.501 -0.397
155 HD11 LEU 19 1HD1 LEU 19 -17.335 -14.654 -2.489
156 HD12 LEU 19 2HD1 LEU 19 -17.893 -16.316 -2.680
157 HD13 LEU 19 3HD1 LEU 19 -16.168 -15.976 -2.539
158 HD21 LEU 19 3HD2 LEU 19 -16.231 -17.367 0.373
159 HD22 LEU 19 1HD2 LEU 19 -16.920 -17.885 -1.166
160 HD23 LEU 19 2HD2 LEU 19 -17.972 -17.613 0.224
Start of MODEL 18
1 H1 MET 1 H MET 1 2.465 0.003 0.620
2 HA MET 1 HA MET 1 2.446 0.687 -2.188
3 HB2 MET 1 2HB MET 1 4.399 0.535 -0.153
4 HB3 MET 1 3HB MET 1 4.856 -0.646 -1.373
5 HG2 MET 1 2HG MET 1 4.056 1.974 -2.421
6 HG3 MET 1 3HG MET 1 5.518 1.972 -1.438
7 HE1 MET 1 3HE MET 1 5.008 2.854 -4.197
8 HE2 MET 1 1HE MET 1 6.406 2.318 -5.131
9 HE3 MET 1 2HE MET 1 4.819 1.611 -5.435
10 H TRP 2 H TRP 2 2.451 -2.197 -0.208
11 HA TRP 2 HA TRP 2 2.833 -3.924 -2.521
12 HB2 TRP 2 2HB TRP 2 3.069 -4.202 0.373
13 HB3 TRP 2 3HB TRP 2 2.211 -5.553 -0.364
14 HD1 TRP 2 HD1 TRP 2 3.720 -7.439 -1.197
15 HE1 TRP 2 HE1 TRP 2 6.199 -7.671 -1.850
16 HE3 TRP 2 HE3 TRP 2 5.142 -2.551 -0.733
17 HZ2 TRP 2 HZ2 TRP 2 8.458 -6.003 -2.130
18 HZ3 TRP 2 HZ3 TRP 2 7.480 -1.952 -1.212
19 HH2 TRP 2 HH2 TRP 2 9.103 -3.644 -1.895
20 H LYS 3 H LYS 3 0.298 -2.808 -0.400
21 HA LYS 3 HA LYS 3 -1.638 -4.749 -1.253
22 HB2 LYS 3 2HB LYS 3 -3.244 -3.368 -0.005
23 HB3 LYS 3 3HB LYS 3 -1.812 -3.722 0.952
24 HG2 LYS 3 2HG LYS 3 -1.076 -1.374 -0.131
25 HG3 LYS 3 3HG LYS 3 -2.826 -1.153 -0.066
26 HD2 LYS 3 2HD LYS 3 -2.573 -2.037 2.371
27 HD3 LYS 3 3HD LYS 3 -0.881 -1.575 2.168
28 HE2 LYS 3 2HE LYS 3 -1.346 0.615 2.294
29 HE3 LYS 3 3HE LYS 3 -2.782 0.464 1.283
30 HZ1 LYS 3 3HZ LYS 3 -3.818 -0.593 3.357
31 HZ2 LYS 3 1HZ LYS 3 -3.620 1.087 3.332
32 HZ3 LYS 3 2HZ LYS 3 -2.537 0.121 4.202
33 H THR 4 H THR 4 -0.555 -1.649 -2.352
34 HA THR 4 HA THR 4 -2.744 -0.714 -3.766
35 HB THR 4 HB THR 4 -0.478 -0.204 -5.384
36 HG1 THR 4 HG1 THR 4 0.164 0.277 -2.667
37 HG21 THR 4 3HG2 THR 4 -1.395 1.620 -3.191
38 HG22 THR 4 1HG2 THR 4 -2.458 1.259 -4.551
39 HG23 THR 4 2HG2 THR 4 -0.890 2.016 -4.834
40 HA PRO 5 HA PRO 5 -1.299 -3.199 -7.643
41 HB2 PRO 5 2HB PRO 5 0.679 -5.026 -7.298
42 HB3 PRO 5 3HB PRO 5 0.993 -3.337 -7.712
43 HG2 PRO 5 2HG PRO 5 1.124 -4.689 -5.044
44 HG3 PRO 5 3HG PRO 5 2.244 -3.515 -5.760
45 HD2 PRO 5 2HD PRO 5 0.380 -2.818 -3.923
46 HD3 PRO 5 3HD PRO 5 0.908 -1.718 -5.213
47 H THR 6 H THR 6 -1.621 -4.583 -4.506
48 HA THR 6 HA THR 6 -2.413 -7.201 -5.439
49 HB THR 6 HB THR 6 -2.608 -5.983 -2.677
50 HG1 THR 6 HG1 THR 6 -0.449 -6.283 -3.487
51 HG21 THR 6 3HG2 THR 6 -2.568 -8.593 -2.195
52 HG22 THR 6 1HG2 THR 6 -3.322 -8.648 -3.788
53 HG23 THR 6 2HG2 THR 6 -4.076 -7.727 -2.487
54 H LEU 7 H LEU 7 -3.967 -4.243 -4.362
55 HA LEU 7 HA LEU 7 -6.606 -5.466 -4.466
56 HB2 LEU 7 2HB LEU 7 -5.509 -3.410 -2.985
57 HB3 LEU 7 3HB LEU 7 -6.518 -2.574 -4.163
58 HG LEU 7 HG LEU 7 -7.744 -4.838 -2.689
59 HD11 LEU 7 1HD1 LEU 7 -8.101 -2.433 -1.183
60 HD12 LEU 7 2HD1 LEU 7 -6.384 -2.819 -1.284
61 HD13 LEU 7 3HD1 LEU 7 -7.519 -4.009 -0.647
62 HD21 LEU 7 3HD2 LEU 7 -9.372 -3.930 -3.947
63 HD22 LEU 7 1HD2 LEU 7 -8.542 -2.380 -4.090
64 HD23 LEU 7 2HD2 LEU 7 -9.469 -2.752 -2.636
65 H LYS 8 H LYS 8 -4.473 -3.916 -6.564
66 HA LYS 8 HA LYS 8 -6.537 -2.763 -8.256
67 HB2 LYS 8 2HB LYS 8 -4.468 -1.520 -8.018
68 HB3 LYS 8 3HB LYS 8 -3.533 -2.908 -8.558
69 HG2 LYS 8 2HG LYS 8 -4.021 -2.566 -10.742
70 HG3 LYS 8 3HG LYS 8 -5.622 -1.907 -10.397
71 HD2 LYS 8 2HD LYS 8 -4.563 0.169 -9.591
72 HD3 LYS 8 3HD LYS 8 -2.982 -0.493 -10.011
73 HE2 LYS 8 2HE LYS 8 -3.458 0.774 -11.874
74 HE3 LYS 8 3HE LYS 8 -4.055 -0.810 -12.367
75 HZ1 LYS 8 3HZ LYS 8 -6.288 -0.100 -11.669
76 HZ2 LYS 8 1HZ LYS 8 -5.664 0.868 -12.909
77 HZ3 LYS 8 2HZ LYS 8 -5.684 1.441 -11.318
78 H TYR 9 H TYR 9 -3.830 -5.015 -8.844
79 HA TYR 9 HA TYR 9 -5.219 -6.134 -11.124
80 HB2 TYR 9 2HB TYR 9 -2.528 -5.871 -10.361
81 HB3 TYR 9 3HB TYR 9 -2.852 -7.601 -10.355
82 HD1 TYR 9 HD2 TYR 9 -3.567 -8.735 -12.428
83 HD2 TYR 9 HD1 TYR 9 -2.466 -4.625 -12.407
84 HE1 TYR 9 HE2 TYR 9 -3.332 -8.792 -14.875
85 HE2 TYR 9 HE1 TYR 9 -2.229 -4.670 -14.855
86 HH TYR 9 HH TYR 9 -2.352 -7.638 -16.658
87 H PHE 10 H PHE 10 -4.132 -7.225 -7.931
88 HA PHE 10 HA PHE 10 -5.396 -9.810 -8.285
89 HB2 PHE 10 2HB PHE 10 -3.582 -8.572 -6.291
90 HB3 PHE 10 3HB PHE 10 -4.666 -9.824 -5.694
91 HD1 PHE 10 HD2 PHE 10 -4.737 -11.997 -7.211
92 HD2 PHE 10 HD1 PHE 10 -1.526 -9.206 -7.077
93 HE1 PHE 10 HE2 PHE 10 -3.205 -13.725 -8.057
94 HE2 PHE 10 HE1 PHE 10 0.012 -10.930 -7.924
95 HZ PHE 10 HZ PHE 10 -0.826 -13.193 -8.414
96 H GLY 11 H GLY 11 -6.471 -6.792 -7.507
97 HA2 GLY 11 2HA GLY 11 -8.080 -7.031 -5.277
98 HA3 GLY 11 3HA GLY 11 -8.475 -6.037 -6.672
99 H GLY 12 H GLY 12 -8.929 -7.886 -8.629
100 HA2 GLY 12 2HA GLY 12 -11.561 -8.718 -8.062
101 HA3 GLY 12 3HA GLY 12 -10.620 -9.191 -9.469
102 H PHE 13 H PHE 13 -8.584 -10.188 -7.321
103 HA PHE 13 HA PHE 13 -9.691 -12.881 -7.246
104 HB2 PHE 13 2HB PHE 13 -7.203 -12.032 -7.836
105 HB3 PHE 13 3HB PHE 13 -7.005 -12.337 -6.113
106 HD1 PHE 13 HD2 PHE 13 -9.011 -14.653 -5.993
107 HD2 PHE 13 HD1 PHE 13 -5.775 -13.761 -8.611
108 HE1 PHE 13 HE2 PHE 13 -8.726 -17.053 -6.453
109 HE2 PHE 13 HE1 PHE 13 -5.485 -16.160 -9.075
110 HZ PHE 13 HZ PHE 13 -6.961 -17.810 -7.994
111 H ASN 14 H ASN 14 -10.536 -10.595 -5.449
112 HA ASN 14 HA ASN 14 -9.787 -11.662 -2.829
113 HB2 ASN 14 2HB ASN 14 -11.166 -9.121 -3.693
114 HB3 ASN 14 3HB ASN 14 -11.080 -9.621 -2.006
115 HD21 ASN 14 1HD2 ASN 14 -8.598 -10.584 -1.732
116 HD22 ASN 14 2HD2 ASN 14 -7.423 -9.358 -2.051
117 H PHE 15 H PHE 15 -12.383 -11.620 -5.081
118 HA PHE 15 HA PHE 15 -14.660 -11.868 -3.614
119 HB2 PHE 15 2HB PHE 15 -13.798 -12.669 -6.232
120 HB3 PHE 15 3HB PHE 15 -14.810 -13.933 -5.542
121 HD1 PHE 15 HD2 PHE 15 -15.219 -10.392 -4.685
122 HD2 PHE 15 HD1 PHE 15 -16.615 -13.619 -7.084
123 HE1 PHE 15 HE2 PHE 15 -17.228 -9.092 -5.259
124 HE2 PHE 15 HE1 PHE 15 -18.625 -12.324 -7.663
125 HZ PHE 15 HZ PHE 15 -18.934 -10.058 -6.749
126 H SER 16 H SER 16 -12.106 -14.243 -3.969
127 HA SER 16 HA SER 16 -13.520 -16.400 -2.761
128 HB2 SER 16 2HB SER 16 -11.625 -16.858 -4.206
129 HB3 SER 16 3HB SER 16 -10.554 -15.936 -3.151
130 HG SER 16 HG SER 16 -10.261 -18.002 -2.534
131 H GLN 17 H GLN 17 -11.442 -13.837 -1.566
132 HA GLN 17 HA GLN 17 -11.516 -14.930 1.138
133 HB2 GLN 17 2HB GLN 17 -9.601 -13.503 -0.262
134 HB3 GLN 17 3HB GLN 17 -10.286 -12.302 0.824
135 HG2 GLN 17 2HG GLN 17 -9.830 -14.717 2.272
136 HG3 GLN 17 3HG GLN 17 -8.366 -14.277 1.394
137 HE21 GLN 17 1HE2 GLN 17 -10.918 -12.647 3.252
138 HE22 GLN 17 2HE2 GLN 17 -9.846 -11.652 4.173
139 H ILE 18 H ILE 18 -12.286 -11.841 -0.469
140 HA ILE 18 HA ILE 18 -13.717 -10.827 1.783
141 HB ILE 18 HB ILE 18 -14.377 -8.989 0.337
142 HG12 ILE 18 2HG1 ILE 18 -12.984 -9.578 -2.066
143 HG13 ILE 18 3HG1 ILE 18 -14.030 -10.951 -1.721
144 HG21 ILE 18 1HG2 ILE 18 -12.076 -8.299 -0.448
145 HG22 ILE 18 2HG2 ILE 18 -12.210 -8.757 1.249
146 HG23 ILE 18 3HG2 ILE 18 -11.518 -9.885 0.083
147 HD11 ILE 18 3HD1 ILE 18 -15.846 -9.826 -2.313
148 HD12 ILE 18 1HD1 ILE 18 -15.391 -8.424 -1.345
149 HD13 ILE 18 2HD1 ILE 18 -14.753 -8.612 -2.979
150 H LEU 19 H LEU 19 -14.486 -13.162 -0.454
151 HA LEU 19 HA LEU 19 -16.826 -13.114 -1.521
152 HB2 LEU 19 2HB LEU 19 -15.542 -15.168 -0.650
153 HB3 LEU 19 3HB LEU 19 -16.600 -15.053 0.755
154 HG LEU 19 HG LEU 19 -18.552 -15.327 -0.740
155 HD11 LEU 19 1HD1 LEU 19 -17.584 -14.452 -2.790
156 HD12 LEU 19 2HD1 LEU 19 -18.190 -16.089 -3.037
157 HD13 LEU 19 3HD1 LEU 19 -16.458 -15.808 -2.855
158 HD21 LEU 19 3HD2 LEU 19 -16.425 -17.457 -0.754
159 HD22 LEU 19 1HD2 LEU 19 -18.074 -17.731 -1.317
160 HD23 LEU 19 2HD2 LEU 19 -17.780 -17.279 0.363
Start of MODEL 19
1 H1 MET 1 H MET 1 1.743 1.156 0.051
2 HA MET 1 HA MET 1 2.551 1.190 -2.548
3 HB2 MET 1 2HB MET 1 3.879 0.343 -0.019
4 HB3 MET 1 3HB MET 1 4.700 -0.005 -1.535
5 HG2 MET 1 2HG MET 1 3.746 2.706 -1.504
6 HG3 MET 1 3HG MET 1 4.735 2.375 -0.084
7 HE1 MET 1 3HE MET 1 6.803 4.027 -0.770
8 HE2 MET 1 1HE MET 1 7.209 4.235 -2.474
9 HE3 MET 1 2HE MET 1 5.567 4.553 -1.914
10 H TRP 2 H TRP 2 2.354 -1.719 -0.501
11 HA TRP 2 HA TRP 2 2.773 -3.410 -2.835
12 HB2 TRP 2 2HB TRP 2 3.860 -3.825 -0.565
13 HB3 TRP 2 3HB TRP 2 2.267 -4.330 -0.007
14 HD1 TRP 2 HD1 TRP 2 4.929 -5.340 -2.624
15 HE1 TRP 2 HE1 TRP 2 4.687 -7.863 -3.076
16 HE3 TRP 2 HE3 TRP 2 0.769 -6.274 0.196
17 HZ2 TRP 2 HZ2 TRP 2 2.960 -9.969 -2.335
18 HZ3 TRP 2 HZ3 TRP 2 -0.115 -8.569 0.271
19 HH2 TRP 2 HH2 TRP 2 0.959 -10.377 -0.970
20 H LYS 3 H LYS 3 0.228 -2.369 -0.705
21 HA LYS 3 HA LYS 3 -1.647 -4.395 -1.484
22 HB2 LYS 3 2HB LYS 3 -3.287 -3.049 -0.258
23 HB3 LYS 3 3HB LYS 3 -1.825 -3.288 0.690
24 HG2 LYS 3 2HG LYS 3 -1.080 -1.015 -0.118
25 HG3 LYS 3 3HG LYS 3 -2.719 -0.802 -0.739
26 HD2 LYS 3 2HD LYS 3 -3.631 -0.626 1.344
27 HD3 LYS 3 3HD LYS 3 -2.427 -1.687 2.079
28 HE2 LYS 3 2HE LYS 3 -1.574 0.973 1.036
29 HE3 LYS 3 3HE LYS 3 -2.437 0.893 2.572
30 HZ1 LYS 3 3HZ LYS 3 0.106 0.769 2.591
31 HZ2 LYS 3 1HZ LYS 3 -0.094 -0.828 2.068
32 HZ3 LYS 3 2HZ LYS 3 -0.750 -0.333 3.547
33 H THR 4 H THR 4 -0.679 -1.300 -2.695
34 HA THR 4 HA THR 4 -2.909 -0.483 -4.117
35 HB THR 4 HB THR 4 -0.639 0.015 -5.761
36 HG1 THR 4 HG1 THR 4 0.897 0.618 -4.321
37 HG21 THR 4 3HG2 THR 4 -1.086 2.278 -5.256
38 HG22 THR 4 1HG2 THR 4 -1.799 1.872 -3.696
39 HG23 THR 4 2HG2 THR 4 -2.651 1.468 -5.186
40 HA PRO 5 HA PRO 5 -1.427 -3.056 -7.922
41 HB2 PRO 5 2HB PRO 5 0.610 -4.809 -7.537
42 HB3 PRO 5 3HB PRO 5 0.868 -3.126 -8.012
43 HG2 PRO 5 2HG PRO 5 1.066 -4.381 -5.301
44 HG3 PRO 5 3HG PRO 5 2.143 -3.198 -6.069
45 HD2 PRO 5 2HD PRO 5 0.276 -2.496 -4.237
46 HD3 PRO 5 3HD PRO 5 0.758 -1.425 -5.569
47 H THR 6 H THR 6 -1.673 -4.341 -4.736
48 HA THR 6 HA THR 6 -2.391 -7.012 -5.568
49 HB THR 6 HB THR 6 -2.582 -5.693 -2.853
50 HG1 THR 6 HG1 THR 6 -0.714 -7.644 -3.736
51 HG21 THR 6 3HG2 THR 6 -3.965 -7.437 -2.456
52 HG22 THR 6 1HG2 THR 6 -2.460 -8.351 -2.365
53 HG23 THR 6 2HG2 THR 6 -3.398 -8.343 -3.859
54 H LEU 7 H LEU 7 -4.031 -4.068 -4.581
55 HA LEU 7 HA LEU 7 -6.630 -5.377 -4.621
56 HB2 LEU 7 2HB LEU 7 -5.886 -2.497 -4.130
57 HB3 LEU 7 3HB LEU 7 -7.500 -3.183 -3.953
58 HG LEU 7 HG LEU 7 -5.176 -4.175 -2.327
59 HD11 LEU 7 1HD1 LEU 7 -7.065 -1.937 -1.609
60 HD12 LEU 7 2HD1 LEU 7 -5.350 -1.758 -1.980
61 HD13 LEU 7 3HD1 LEU 7 -5.853 -2.660 -0.551
62 HD21 LEU 7 3HD2 LEU 7 -7.939 -4.102 -1.304
63 HD22 LEU 7 1HD2 LEU 7 -6.706 -5.355 -1.165
64 HD23 LEU 7 2HD2 LEU 7 -7.645 -5.204 -2.650
65 H LYS 8 H LYS 8 -4.562 -3.834 -6.788
66 HA LYS 8 HA LYS 8 -6.675 -2.805 -8.502
67 HB2 LYS 8 2HB LYS 8 -4.604 -1.519 -8.286
68 HB3 LYS 8 3HB LYS 8 -3.676 -2.889 -8.882
69 HG2 LYS 8 2HG LYS 8 -4.223 -2.500 -11.032
70 HG3 LYS 8 3HG LYS 8 -5.852 -1.951 -10.633
71 HD2 LYS 8 2HD LYS 8 -4.857 0.167 -9.776
72 HD3 LYS 8 3HD LYS 8 -3.287 -0.386 -10.365
73 HE2 LYS 8 2HE LYS 8 -3.780 0.496 -12.343
74 HE3 LYS 8 3HE LYS 8 -5.066 -0.697 -12.509
75 HZ1 LYS 8 3HZ LYS 8 -6.653 0.802 -11.978
76 HZ2 LYS 8 1HZ LYS 8 -5.515 1.899 -12.583
77 HZ3 LYS 8 2HZ LYS 8 -5.663 1.668 -10.914
78 H TYR 9 H TYR 9 -3.903 -4.991 -9.035
79 HA TYR 9 HA TYR 9 -5.273 -6.232 -11.263
80 HB2 TYR 9 2HB TYR 9 -2.579 -5.878 -10.502
81 HB3 TYR 9 3HB TYR 9 -2.869 -7.614 -10.496
82 HD1 TYR 9 HD1 TYR 9 -3.528 -8.771 -12.564
83 HD2 TYR 9 HD2 TYR 9 -2.581 -4.622 -12.551
84 HE1 TYR 9 HE1 TYR 9 -3.298 -8.822 -15.012
85 HE2 TYR 9 HE2 TYR 9 -2.350 -4.662 -15.000
86 HH TYR 9 HH TYR 9 -2.530 -7.673 -16.814
87 H PHE 10 H PHE 10 -4.128 -7.177 -8.044
88 HA PHE 10 HA PHE 10 -5.311 -9.811 -8.297
89 HB2 PHE 10 2HB PHE 10 -3.522 -8.447 -6.364
90 HB3 PHE 10 3HB PHE 10 -4.561 -9.711 -5.714
91 HD1 PHE 10 HD1 PHE 10 -4.577 -11.938 -7.148
92 HD2 PHE 10 HD2 PHE 10 -1.454 -9.046 -7.149
93 HE1 PHE 10 HE1 PHE 10 -2.997 -13.648 -7.946
94 HE2 PHE 10 HE2 PHE 10 0.130 -10.750 -7.948
95 HZ PHE 10 HZ PHE 10 -0.641 -13.055 -8.348
96 H GLY 11 H GLY 11 -6.477 -6.804 -7.615
97 HA2 GLY 11 2HA GLY 11 -8.061 -7.018 -5.364
98 HA3 GLY 11 3HA GLY 11 -8.495 -6.083 -6.787
99 H GLY 12 H GLY 12 -8.881 -8.036 -8.675
100 HA2 GLY 12 2HA GLY 12 -11.493 -8.912 -8.078
101 HA3 GLY 12 3HA GLY 12 -10.536 -9.420 -9.461
102 H PHE 13 H PHE 13 -8.479 -10.266 -7.268
103 HA PHE 13 HA PHE 13 -9.512 -12.982 -7.077
104 HB2 PHE 13 2HB PHE 13 -7.046 -12.091 -7.699
105 HB3 PHE 13 3HB PHE 13 -6.845 -12.317 -5.965
106 HD1 PHE 13 HD2 PHE 13 -8.786 -14.679 -5.748
107 HD2 PHE 13 HD1 PHE 13 -5.571 -13.812 -8.399
108 HE1 PHE 13 HE2 PHE 13 -8.434 -17.088 -6.103
109 HE2 PHE 13 HE1 PHE 13 -5.214 -16.220 -8.759
110 HZ PHE 13 HZ PHE 13 -6.645 -17.861 -7.609
111 H ASN 14 H ASN 14 -10.425 -10.645 -5.383
112 HA ASN 14 HA ASN 14 -9.654 -11.576 -2.718
113 HB2 ASN 14 2HB ASN 14 -11.100 -9.114 -3.694
114 HB3 ASN 14 3HB ASN 14 -11.005 -9.537 -1.987
115 HD21 ASN 14 1HD2 ASN 14 -8.498 -10.418 -1.668
116 HD22 ASN 14 2HD2 ASN 14 -7.357 -9.175 -2.039
117 H PHE 15 H PHE 15 -12.244 -11.704 -4.975
118 HA PHE 15 HA PHE 15 -14.518 -11.950 -3.502
119 HB2 PHE 15 2HB PHE 15 -13.626 -12.840 -6.081
120 HB3 PHE 15 3HB PHE 15 -14.604 -14.101 -5.339
121 HD1 PHE 15 HD2 PHE 15 -15.115 -10.539 -4.637
122 HD2 PHE 15 HD1 PHE 15 -16.413 -13.906 -6.895
123 HE1 PHE 15 HE2 PHE 15 -17.157 -9.322 -5.271
124 HE2 PHE 15 HE1 PHE 15 -18.457 -12.694 -7.533
125 HZ PHE 15 HZ PHE 15 -18.832 -10.400 -6.720
126 H SER 16 H SER 16 -11.899 -14.267 -3.750
127 HA SER 16 HA SER 16 -13.256 -16.408 -2.450
128 HB2 SER 16 2HB SER 16 -10.990 -16.285 -3.898
129 HB3 SER 16 3HB SER 16 -10.294 -16.258 -2.277
130 HG SER 16 HG SER 16 -10.516 -18.387 -2.932
131 H GLN 17 H GLN 17 -11.252 -13.738 -1.365
132 HA GLN 17 HA GLN 17 -11.303 -14.714 1.384
133 HB2 GLN 17 2HB GLN 17 -9.425 -13.297 -0.074
134 HB3 GLN 17 3HB GLN 17 -10.146 -12.069 0.958
135 HG2 GLN 17 2HG GLN 17 -9.437 -13.094 2.902
136 HG3 GLN 17 3HG GLN 17 -9.249 -14.665 2.125
137 HE21 GLN 17 1HE2 GLN 17 -8.047 -11.442 1.279
138 HE22 GLN 17 2HE2 GLN 17 -6.376 -11.879 1.262
139 H ILE 18 H ILE 18 -12.154 -11.720 -0.358
140 HA ILE 18 HA ILE 18 -13.619 -10.649 1.846
141 HB ILE 18 HB ILE 18 -14.326 -8.896 0.320
142 HG12 ILE 18 2HG1 ILE 18 -12.910 -9.550 -2.053
143 HG13 ILE 18 3HG1 ILE 18 -13.919 -10.935 -1.650
144 HG21 ILE 18 1HG2 ILE 18 -12.054 -8.158 -0.473
145 HG22 ILE 18 2HG2 ILE 18 -12.159 -8.587 1.233
146 HG23 ILE 18 3HG2 ILE 18 -11.440 -9.715 0.084
147 HD11 ILE 18 3HD1 ILE 18 -15.794 -9.872 -2.212
148 HD12 ILE 18 1HD1 ILE 18 -15.295 -8.373 -1.428
149 HD13 ILE 18 2HD1 ILE 18 -14.725 -8.750 -3.054
150 H LEU 19 H LEU 19 -14.317 -13.100 -0.288
151 HA LEU 19 HA LEU 19 -16.655 -13.164 -1.359
152 HB2 LEU 19 2HB LEU 19 -15.316 -15.142 -0.397
153 HB3 LEU 19 3HB LEU 19 -16.382 -14.995 1.000
154 HG LEU 19 HG LEU 19 -18.321 -15.388 -0.485
155 HD11 LEU 19 1HD1 LEU 19 -17.372 -14.576 -2.570
156 HD12 LEU 19 2HD1 LEU 19 -17.930 -16.239 -2.747
157 HD13 LEU 19 3HD1 LEU 19 -16.208 -15.902 -2.574
158 HD21 LEU 19 3HD2 LEU 19 -17.581 -17.818 -1.080
159 HD22 LEU 19 1HD2 LEU 19 -17.699 -17.318 0.607
160 HD23 LEU 19 2HD2 LEU 19 -16.124 -17.388 -0.183
Start of MODEL 20
1 H1 MET 1 H MET 1 2.047 0.490 -0.284
2 HA MET 1 HA MET 1 3.367 0.719 -2.725
3 HB2 MET 1 2HB MET 1 4.027 -0.270 -0.034
4 HB3 MET 1 3HB MET 1 4.996 -0.970 -1.324
5 HG2 MET 1 2HG MET 1 4.741 1.896 -1.611
6 HG3 MET 1 3HG MET 1 5.419 1.447 -0.048
7 HE1 MET 1 3HE MET 1 6.322 3.079 -2.425
8 HE2 MET 1 1HE MET 1 8.019 2.908 -1.974
9 HE3 MET 1 2HE MET 1 7.469 2.365 -3.559
10 H TRP 2 H TRP 2 2.897 -2.339 -0.946
11 HA TRP 2 HA TRP 2 3.115 -3.794 -3.466
12 HB2 TRP 2 2HB TRP 2 3.263 -5.802 -2.052
13 HB3 TRP 2 3HB TRP 2 4.448 -4.590 -1.575
14 HD1 TRP 2 HD1 TRP 2 1.243 -6.287 -0.354
15 HE1 TRP 2 HE1 TRP 2 0.982 -5.835 2.166
16 HE3 TRP 2 HE3 TRP 2 5.055 -2.938 0.268
17 HZ2 TRP 2 HZ2 TRP 2 2.227 -4.266 4.155
18 HZ3 TRP 2 HZ3 TRP 2 5.453 -2.008 2.511
19 HH2 TRP 2 HH2 TRP 2 4.068 -2.659 4.413
20 H LYS 3 H LYS 3 0.769 -2.887 -1.079
21 HA LYS 3 HA LYS 3 -1.209 -4.817 -1.837
22 HB2 LYS 3 2HB LYS 3 -2.697 -3.607 -0.375
23 HB3 LYS 3 3HB LYS 3 -1.127 -3.745 0.406
24 HG2 LYS 3 2HG LYS 3 -0.606 -1.441 -0.312
25 HG3 LYS 3 3HG LYS 3 -2.232 -1.315 -0.987
26 HD2 LYS 3 2HD LYS 3 -2.263 -0.301 1.175
27 HD3 LYS 3 3HD LYS 3 -3.128 -1.835 1.292
28 HE2 LYS 3 2HE LYS 3 -1.793 -2.378 2.984
29 HE3 LYS 3 3HE LYS 3 -0.455 -2.442 1.839
30 HZ1 LYS 3 3HZ LYS 3 -0.379 -0.889 3.929
31 HZ2 LYS 3 1HZ LYS 3 -1.230 0.168 2.918
32 HZ3 LYS 3 2HZ LYS 3 0.296 -0.398 2.458
33 H THR 4 H THR 4 -0.256 -1.675 -2.940
34 HA THR 4 HA THR 4 -2.546 -0.714 -4.143
35 HB THR 4 HB THR 4 -0.433 -0.204 -5.960
36 HG1 THR 4 HG1 THR 4 1.213 0.436 -4.520
37 HG21 THR 4 3HG2 THR 4 -0.957 1.954 -5.506
38 HG22 THR 4 1HG2 THR 4 -0.928 1.707 -3.761
39 HG23 THR 4 2HG2 THR 4 -2.340 1.218 -4.698
40 HA PRO 5 HA PRO 5 -1.500 -3.154 -8.175
41 HB2 PRO 5 2HB PRO 5 0.483 -5.003 -8.045
42 HB3 PRO 5 3HB PRO 5 0.774 -3.311 -8.463
43 HG2 PRO 5 2HG PRO 5 1.142 -4.704 -5.839
44 HG3 PRO 5 3HG PRO 5 2.201 -3.529 -6.641
45 HD2 PRO 5 2HD PRO 5 0.527 -2.844 -4.626
46 HD3 PRO 5 3HD PRO 5 0.942 -1.729 -5.944
47 H THR 6 H THR 6 -1.526 -4.590 -5.041
48 HA THR 6 HA THR 6 -2.403 -7.193 -5.911
49 HB THR 6 HB THR 6 -2.420 -5.963 -3.147
50 HG1 THR 6 HG1 THR 6 -0.592 -7.756 -4.406
51 HG21 THR 6 3HG2 THR 6 -2.953 -8.760 -4.126
52 HG22 THR 6 1HG2 THR 6 -3.982 -7.741 -3.121
53 HG23 THR 6 2HG2 THR 6 -2.489 -8.409 -2.461
54 H LEU 7 H LEU 7 -3.892 -4.238 -4.733
55 HA LEU 7 HA LEU 7 -6.529 -5.467 -4.673
56 HB2 LEU 7 2HB LEU 7 -5.517 -3.648 -3.066
57 HB3 LEU 7 3HB LEU 7 -6.086 -2.542 -4.315
58 HG LEU 7 HG LEU 7 -8.372 -3.426 -4.011
59 HD11 LEU 7 1HD1 LEU 7 -8.747 -4.734 -1.868
60 HD12 LEU 7 2HD1 LEU 7 -7.019 -5.080 -1.901
61 HD13 LEU 7 3HD1 LEU 7 -8.050 -5.617 -3.227
62 HD21 LEU 7 3HD2 LEU 7 -8.417 -1.591 -2.741
63 HD22 LEU 7 1HD2 LEU 7 -6.827 -1.923 -2.055
64 HD23 LEU 7 2HD2 LEU 7 -8.261 -2.682 -1.364
65 H LYS 8 H LYS 8 -4.537 -3.905 -6.897
66 HA LYS 8 HA LYS 8 -6.707 -2.751 -8.451
67 HB2 LYS 8 2HB LYS 8 -4.551 -1.564 -8.278
68 HB3 LYS 8 3HB LYS 8 -3.748 -2.924 -9.053
69 HG2 LYS 8 2HG LYS 8 -4.577 -2.419 -11.119
70 HG3 LYS 8 3HG LYS 8 -6.018 -1.632 -10.471
71 HD2 LYS 8 2HD LYS 8 -4.196 0.062 -9.535
72 HD3 LYS 8 3HD LYS 8 -3.290 -0.546 -10.923
73 HE2 LYS 8 2HE LYS 8 -6.087 0.572 -11.063
74 HE3 LYS 8 3HE LYS 8 -4.626 1.499 -11.400
75 HZ1 LYS 8 3HZ LYS 8 -5.109 -1.018 -12.842
76 HZ2 LYS 8 1HZ LYS 8 -4.227 0.342 -13.326
77 HZ3 LYS 8 2HZ LYS 8 -5.917 0.386 -13.329
78 H TYR 9 H TYR 9 -4.040 -4.996 -9.217
79 HA TYR 9 HA TYR 9 -5.569 -6.111 -11.408
80 HB2 TYR 9 2HB TYR 9 -2.820 -5.885 -10.762
81 HB3 TYR 9 3HB TYR 9 -3.184 -7.605 -10.854
82 HD1 TYR 9 HD1 TYR 9 -3.731 -4.439 -12.759
83 HD2 TYR 9 HD2 TYR 9 -3.134 -8.648 -12.921
84 HE1 TYR 9 HE1 TYR 9 -3.624 -4.323 -15.213
85 HE2 TYR 9 HE2 TYR 9 -3.024 -8.544 -15.375
86 HH TYR 9 HH TYR 9 -4.148 -6.388 -17.176
87 H PHE 10 H PHE 10 -4.278 -7.210 -8.294
88 HA PHE 10 HA PHE 10 -5.556 -9.797 -8.575
89 HB2 PHE 10 2HB PHE 10 -3.621 -8.560 -6.698
90 HB3 PHE 10 3HB PHE 10 -4.661 -9.816 -6.036
91 HD1 PHE 10 HD2 PHE 10 -4.827 -11.985 -7.551
92 HD2 PHE 10 HD1 PHE 10 -1.619 -9.189 -7.616
93 HE1 PHE 10 HE2 PHE 10 -3.348 -13.708 -8.498
94 HE2 PHE 10 HE1 PHE 10 -0.135 -10.907 -8.564
95 HZ PHE 10 HZ PHE 10 -0.999 -13.171 -9.005
96 H GLY 11 H GLY 11 -6.586 -6.784 -7.720
97 HA2 GLY 11 2HA GLY 11 -8.050 -7.036 -5.393
98 HA3 GLY 11 3HA GLY 11 -8.532 -6.035 -6.755
99 H GLY 12 H GLY 12 -9.088 -7.900 -8.687
100 HA2 GLY 12 2HA GLY 12 -11.687 -8.724 -7.971
101 HA3 GLY 12 3HA GLY 12 -10.826 -9.203 -9.427
102 H PHE 13 H PHE 13 -8.674 -10.195 -7.393
103 HA PHE 13 HA PHE 13 -9.778 -12.886 -7.244
104 HB2 PHE 13 2HB PHE 13 -7.326 -12.042 -7.976
105 HB3 PHE 13 3HB PHE 13 -7.032 -12.341 -6.266
106 HD1 PHE 13 HD2 PHE 13 -9.030 -14.654 -6.025
107 HD2 PHE 13 HD1 PHE 13 -5.945 -13.776 -8.823
108 HE1 PHE 13 HE2 PHE 13 -8.773 -17.056 -6.490
109 HE2 PHE 13 HE1 PHE 13 -5.684 -16.177 -9.293
110 HZ PHE 13 HZ PHE 13 -7.098 -17.820 -8.125
111 H ASN 14 H ASN 14 -10.519 -10.592 -5.412
112 HA ASN 14 HA ASN 14 -9.625 -11.650 -2.834
113 HB2 ASN 14 2HB ASN 14 -11.049 -9.111 -3.629
114 HB3 ASN 14 3HB ASN 14 -10.869 -9.604 -1.948
115 HD21 ASN 14 1HD2 ASN 14 -8.376 -10.568 -1.809
116 HD22 ASN 14 2HD2 ASN 14 -7.221 -9.344 -2.199
117 H PHE 15 H PHE 15 -12.343 -11.615 -4.938
118 HA PHE 15 HA PHE 15 -14.535 -11.856 -3.344
119 HB2 PHE 15 2HB PHE 15 -13.820 -12.668 -6.003
120 HB3 PHE 15 3HB PHE 15 -14.793 -13.929 -5.253
121 HD1 PHE 15 HD2 PHE 15 -15.152 -10.384 -4.389
122 HD2 PHE 15 HD1 PHE 15 -16.681 -13.620 -6.693
123 HE1 PHE 15 HE2 PHE 15 -17.189 -9.085 -4.856
124 HE2 PHE 15 HE1 PHE 15 -18.720 -12.326 -7.164
125 HZ PHE 15 HZ PHE 15 -18.976 -10.056 -6.244
126 H SER 16 H SER 16 -12.006 -14.234 -3.833
127 HA SER 16 HA SER 16 -13.351 -16.385 -2.538
128 HB2 SER 16 2HB SER 16 -11.158 -16.256 -4.105
129 HB3 SER 16 3HB SER 16 -10.385 -16.340 -2.522
130 HG SER 16 HG SER 16 -11.628 -18.287 -3.931
131 H GLN 17 H GLN 17 -11.208 -13.818 -1.472
132 HA GLN 17 HA GLN 17 -11.132 -14.900 1.237
133 HB2 GLN 17 2HB GLN 17 -9.298 -13.481 -0.274
134 HB3 GLN 17 3HB GLN 17 -9.920 -12.274 0.844
135 HG2 GLN 17 2HG GLN 17 -8.850 -14.951 1.696
136 HG3 GLN 17 3HG GLN 17 -7.884 -13.479 1.622
137 HE21 GLN 17 1HE2 GLN 17 -9.248 -11.566 2.698
138 HE22 GLN 17 2HE2 GLN 17 -9.770 -11.927 4.304
139 H ILE 18 H ILE 18 -11.988 -11.817 -0.338
140 HA ILE 18 HA ILE 18 -13.291 -10.792 1.986
141 HB ILE 18 HB ILE 18 -14.030 -8.961 0.572
142 HG12 ILE 18 2HG1 ILE 18 -12.774 -9.561 -1.902
143 HG13 ILE 18 3HG1 ILE 18 -13.800 -10.931 -1.494
144 HG21 ILE 18 1HG2 ILE 18 -11.750 -8.324 -0.391
145 HG22 ILE 18 2HG2 ILE 18 -11.840 -8.660 1.337
146 HG23 ILE 18 3HG2 ILE 18 -11.193 -9.875 0.234
147 HD11 ILE 18 3HD1 ILE 18 -15.663 -9.799 -1.933
148 HD12 ILE 18 1HD1 ILE 18 -15.100 -8.361 -1.080
149 HD13 ILE 18 2HD1 ILE 18 -14.608 -8.645 -2.750
150 H LEU 19 H LEU 19 -14.185 -13.137 -0.194
151 HA LEU 19 HA LEU 19 -16.582 -13.092 -1.128
152 HB2 LEU 19 2HB LEU 19 -15.251 -15.143 -0.321
153 HB3 LEU 19 3HB LEU 19 -16.230 -15.022 1.139
154 HG LEU 19 HG LEU 19 -18.262 -15.300 -0.244
155 HD11 LEU 19 1HD1 LEU 19 -17.409 -14.434 -2.348
156 HD12 LEU 19 2HD1 LEU 19 -18.028 -16.072 -2.554
157 HD13 LEU 19 3HD1 LEU 19 -16.289 -15.791 -2.470
158 HD21 LEU 19 3HD2 LEU 19 -18.005 -17.665 -0.602
159 HD22 LEU 19 1HD2 LEU 19 -17.130 -17.210 0.860
160 HD23 LEU 19 2HD2 LEU 19 -16.248 -17.510 -0.637
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