Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599463 | 2nb7 RC | 25965 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 1 H MET 1 2.136 0.237 0.368
2 HA MET 1 HA MET 1 1.884 -0.530 -2.459
3 HB2 MET 1 HB2 MET 1 3.748 1.510 -1.259
4 HB3 MET 1 HB3 MET 1 4.067 0.750 -2.812
5 HG2 MET 1 HG2 MET 1 1.871 1.591 -3.608
6 HG3 MET 1 HG3 MET 1 1.703 2.459 -2.084
7 HE1 MET 1 HE1 MET 1 2.041 4.966 -4.780
8 HE2 MET 1 HE2 MET 1 2.838 3.763 -5.793
9 HE3 MET 1 HE3 MET 1 1.407 3.321 -4.861
10 H GLU 2 H GLU 2 2.258 -2.104 -0.009
11 HA GLU 2 HA GLU 2 3.474 -3.879 0.729
12 HB2 GLU 2 HB2 GLU 2 4.953 -3.760 -1.895
13 HB3 GLU 2 HB3 GLU 2 4.676 -5.165 -0.874
14 HG2 GLU 2 HG2 GLU 2 2.175 -4.712 -1.339
15 HG3 GLU 2 HG3 GLU 2 2.774 -3.746 -2.687
16 H ASN 3 H ASN 3 4.402 -1.240 1.347
17 HA ASN 3 HA ASN 3 7.246 -1.843 1.783
18 HB2 ASN 3 HB2 ASN 3 6.031 0.731 0.800
19 HB3 ASN 3 HB3 ASN 3 7.592 0.705 1.616
20 HD21 ASN 3 HD21 ASN 3 6.064 0.542 -1.313
21 HD22 ASN 3 HD22 ASN 3 7.343 -0.139 -2.255
22 H THR 4 H THR 4 8.050 0.059 3.411
23 HA THR 4 HA THR 4 6.067 0.291 5.566
24 HB THR 4 HB THR 4 7.460 -1.645 6.110
25 HG1 THR 4 HG1 THR 4 8.227 0.559 7.741
26 HG21 THR 4 HG21 THR 4 9.939 -0.574 6.769
27 HG22 THR 4 HG22 THR 4 9.578 0.103 5.181
28 HG23 THR 4 HG23 THR 4 9.583 -1.645 5.415
29 H SER 5 H SER 5 6.676 2.347 3.856
30 HA SER 5 HA SER 5 7.996 4.215 5.678
31 HB2 SER 5 HB2 SER 5 9.207 5.261 3.752
32 HB3 SER 5 HB3 SER 5 9.770 3.636 4.143
33 HG SER 5 HG SER 5 8.701 2.845 2.379
34 H ILE 6 H ILE 6 6.370 3.985 2.514
35 HA ILE 6 HA ILE 6 5.165 6.590 2.855
36 HB ILE 6 HB ILE 6 4.565 4.561 0.704
37 HG12 ILE 6 HG12 ILE 6 6.644 6.760 0.702
38 HG13 ILE 6 HG13 ILE 6 6.985 5.036 0.806
39 HG21 ILE 6 HG21 ILE 6 4.250 7.559 0.788
40 HG22 ILE 6 HG22 ILE 6 3.879 6.520 -0.587
41 HG23 ILE 6 HG23 ILE 6 2.947 6.376 0.903
42 HD11 ILE 6 HD11 ILE 6 5.510 5.101 -1.444
43 HD12 ILE 6 HD12 ILE 6 6.273 6.690 -1.511
44 HD13 ILE 6 HD13 ILE 6 7.268 5.237 -1.407
45 H THR 7 H THR 7 4.025 3.228 2.663
46 HA THR 7 HA THR 7 1.294 3.792 3.049
47 HB THR 7 HB THR 7 2.183 1.619 2.204
48 HG1 THR 7 HG1 THR 7 0.042 1.717 2.963
49 HG21 THR 7 HG21 THR 7 4.004 1.368 3.854
50 HG22 THR 7 HG22 THR 7 2.961 -0.053 3.787
51 HG23 THR 7 HG23 THR 7 2.801 1.097 5.114
52 H ILE 8 H ILE 8 3.957 3.496 5.267
53 HA ILE 8 HA ILE 8 2.229 3.327 7.593
54 HB ILE 8 HB ILE 8 4.284 3.313 8.906
55 HG12 ILE 8 HG12 ILE 8 6.415 3.082 7.280
56 HG13 ILE 8 HG13 ILE 8 5.447 4.197 6.322
57 HG21 ILE 8 HG21 ILE 8 4.932 1.168 8.363
58 HG22 ILE 8 HG22 ILE 8 3.364 1.281 7.563
59 HG23 ILE 8 HG23 ILE 8 4.847 1.468 6.627
60 HD11 ILE 8 HD11 ILE 8 5.273 5.386 8.718
61 HD12 ILE 8 HD12 ILE 8 6.851 4.613 8.871
62 HD13 ILE 8 HD13 ILE 8 6.542 5.731 7.543
63 H GLU 9 H GLU 9 4.143 5.708 5.879
64 HA GLU 9 HA GLU 9 4.164 7.717 7.851
65 HB2 GLU 9 HB2 GLU 9 4.680 7.558 4.950
66 HB3 GLU 9 HB3 GLU 9 4.192 9.142 5.537
67 HG2 GLU 9 HG2 GLU 9 6.021 9.177 7.102
68 HG3 GLU 9 HG3 GLU 9 6.473 7.532 6.660
69 H PHE 10 H PHE 10 1.789 6.788 5.448
70 HA PHE 10 HA PHE 10 0.115 9.092 6.025
71 HB2 PHE 10 HB2 PHE 10 0.296 8.239 3.711
72 HB3 PHE 10 HB3 PHE 10 -0.410 6.712 4.232
73 HD1 PHE 10 HD1 PHE 10 -2.529 6.488 3.390
74 HD2 PHE 10 HD2 PHE 10 -1.287 10.284 4.860
75 HE1 PHE 10 HE1 PHE 10 -4.780 7.385 2.965
76 HE2 PHE 10 HE2 PHE 10 -3.537 11.187 4.439
77 HZ PHE 10 HZ PHE 10 -5.287 9.737 3.489
78 H SER 11 H SER 11 -0.041 5.561 6.372
79 HA SER 11 HA SER 11 -2.554 5.412 7.585
80 HB2 SER 11 HB2 SER 11 -1.165 3.487 6.693
81 HB3 SER 11 HB3 SER 11 -0.236 3.569 8.189
82 HG SER 11 HG SER 11 -1.761 2.204 8.778
83 H SER 12 H SER 12 0.532 6.352 8.851
84 HA SER 12 HA SER 12 -0.370 6.164 11.614
85 HB2 SER 12 HB2 SER 12 2.258 7.074 10.418
86 HB3 SER 12 HB3 SER 12 1.925 6.989 12.148
87 HG SER 12 HG SER 12 2.996 5.111 11.105
88 H LYS 13 H LYS 13 0.843 8.693 9.417
89 HA LYS 13 HA LYS 13 0.438 10.886 11.067
90 HB2 LYS 13 HB2 LYS 13 1.658 10.974 8.929
91 HB3 LYS 13 HB3 LYS 13 0.144 10.762 8.059
92 HG2 LYS 13 HG2 LYS 13 0.376 13.023 7.920
93 HG3 LYS 13 HG3 LYS 13 -0.555 12.904 9.415
94 HD2 LYS 13 HD2 LYS 13 1.151 14.375 9.982
95 HD3 LYS 13 HD3 LYS 13 1.757 12.825 10.572
96 HE2 LYS 13 HE2 LYS 13 3.578 13.801 9.462
97 HE3 LYS 13 HE3 LYS 13 2.937 12.619 8.323
98 HZ1 LYS 13 HZ1 LYS 13 1.900 15.341 8.148
99 HZ2 LYS 13 HZ2 LYS 13 2.215 14.223 6.919
100 HZ3 LYS 13 HZ3 LYS 13 3.487 15.089 7.621
101 H PHE 14 H PHE 14 -1.816 9.318 8.829
102 HA PHE 14 HA PHE 14 -3.994 10.859 10.082
103 HB2 PHE 14 HB2 PHE 14 -3.603 11.473 7.704
104 HB3 PHE 14 HB3 PHE 14 -3.922 9.802 7.248
105 HD1 PHE 14 HD1 PHE 14 -6.116 9.018 6.965
106 HD2 PHE 14 HD2 PHE 14 -5.436 12.817 8.760
107 HE1 PHE 14 HE1 PHE 14 -8.520 9.518 6.811
108 HE2 PHE 14 HE2 PHE 14 -7.839 13.322 8.609
109 HZ PHE 14 HZ PHE 14 -9.384 11.672 7.634
Start of MODEL 2
1 H MET 1 H MET 1 1.860 -0.003 0.900
2 HA MET 1 HA MET 1 1.476 -0.267 -2.003
3 HB2 MET 1 HB2 MET 1 3.194 1.727 -0.537
4 HB3 MET 1 HB3 MET 1 3.488 1.300 -2.218
5 HG2 MET 1 HG2 MET 1 0.981 1.908 -2.530
6 HG3 MET 1 HG3 MET 1 1.197 2.779 -1.014
7 HE1 MET 1 HE1 MET 1 2.241 2.690 -4.898
8 HE2 MET 1 HE2 MET 1 0.686 3.304 -4.337
9 HE3 MET 1 HE3 MET 1 1.879 4.413 -5.015
10 H GLU 2 H GLU 2 2.186 -2.221 0.057
11 HA GLU 2 HA GLU 2 3.654 -3.923 0.413
12 HB2 GLU 2 HB2 GLU 2 4.816 -3.219 -2.280
13 HB3 GLU 2 HB3 GLU 2 4.818 -4.787 -1.485
14 HG2 GLU 2 HG2 GLU 2 3.148 -5.085 -3.009
15 HG3 GLU 2 HG3 GLU 2 2.221 -4.525 -1.618
16 H ASN 3 H ASN 3 4.386 -1.371 1.428
17 HA ASN 3 HA ASN 3 7.276 -1.769 1.617
18 HB2 ASN 3 HB2 ASN 3 5.902 0.685 0.626
19 HB3 ASN 3 HB3 ASN 3 7.320 0.892 1.650
20 HD21 ASN 3 HD21 ASN 3 6.165 -0.712 -1.270
21 HD22 ASN 3 HD22 ASN 3 7.686 -0.706 -2.090
22 H THR 4 H THR 4 8.099 -0.019 3.341
23 HA THR 4 HA THR 4 6.169 0.103 5.552
24 HB THR 4 HB THR 4 7.546 -1.881 5.944
25 HG1 THR 4 HG1 THR 4 8.550 0.039 7.746
26 HG21 THR 4 HG21 THR 4 9.676 -1.903 5.287
27 HG22 THR 4 HG22 THR 4 10.053 -0.789 6.602
28 HG23 THR 4 HG23 THR 4 9.646 -0.163 5.004
29 H SER 5 H SER 5 6.779 2.249 3.950
30 HA SER 5 HA SER 5 8.069 4.016 5.871
31 HB2 SER 5 HB2 SER 5 9.999 3.842 4.653
32 HB3 SER 5 HB3 SER 5 9.152 3.378 3.177
33 HG SER 5 HG SER 5 9.805 5.892 4.138
34 H ILE 6 H ILE 6 6.653 3.904 2.602
35 HA ILE 6 HA ILE 6 5.501 6.532 2.911
36 HB ILE 6 HB ILE 6 4.950 4.542 0.712
37 HG12 ILE 6 HG12 ILE 6 7.363 4.897 0.889
38 HG13 ILE 6 HG13 ILE 6 6.732 5.686 -0.553
39 HG21 ILE 6 HG21 ILE 6 4.092 7.242 1.280
40 HG22 ILE 6 HG22 ILE 6 4.911 7.138 -0.277
41 HG23 ILE 6 HG23 ILE 6 3.516 6.111 0.056
42 HD11 ILE 6 HD11 ILE 6 8.153 6.805 1.683
43 HD12 ILE 6 HD12 ILE 6 7.780 7.516 0.112
44 HD13 ILE 6 HD13 ILE 6 6.614 7.629 1.430
45 H THR 7 H THR 7 4.247 3.219 2.573
46 HA THR 7 HA THR 7 1.528 3.867 2.838
47 HB THR 7 HB THR 7 2.349 1.680 2.005
48 HG1 THR 7 HG1 THR 7 0.232 1.649 2.618
49 HG21 THR 7 HG21 THR 7 2.870 1.043 4.909
50 HG22 THR 7 HG22 THR 7 4.131 1.400 3.728
51 HG23 THR 7 HG23 THR 7 3.109 -0.023 3.525
52 H ILE 8 H ILE 8 4.041 3.320 5.210
53 HA ILE 8 HA ILE 8 2.196 3.212 7.430
54 HB ILE 8 HB ILE 8 4.191 3.157 8.847
55 HG12 ILE 8 HG12 ILE 8 6.370 2.854 7.265
56 HG13 ILE 8 HG13 ILE 8 5.474 4.050 6.335
57 HG21 ILE 8 HG21 ILE 8 4.735 0.988 8.365
58 HG22 ILE 8 HG22 ILE 8 3.275 1.163 7.393
59 HG23 ILE 8 HG23 ILE 8 4.860 1.288 6.631
60 HD11 ILE 8 HD11 ILE 8 5.969 5.676 7.767
61 HD12 ILE 8 HD12 ILE 8 5.595 4.675 9.171
62 HD13 ILE 8 HD13 ILE 8 7.182 4.569 8.409
63 H GLU 9 H GLU 9 4.264 5.584 5.882
64 HA GLU 9 HA GLU 9 4.220 7.556 7.880
65 HB2 GLU 9 HB2 GLU 9 4.863 7.435 5.007
66 HB3 GLU 9 HB3 GLU 9 4.355 9.017 5.583
67 HG2 GLU 9 HG2 GLU 9 6.564 7.391 6.819
68 HG3 GLU 9 HG3 GLU 9 6.806 8.660 5.619
69 H PHE 10 H PHE 10 1.943 6.744 5.336
70 HA PHE 10 HA PHE 10 0.299 9.069 5.820
71 HB2 PHE 10 HB2 PHE 10 0.558 7.930 3.570
72 HB3 PHE 10 HB3 PHE 10 -0.429 6.621 4.210
73 HD1 PHE 10 HD1 PHE 10 -2.738 7.304 5.180
74 HD2 PHE 10 HD2 PHE 10 -0.455 9.712 2.515
75 HE1 PHE 10 HE1 PHE 10 -4.776 8.528 4.546
76 HE2 PHE 10 HE2 PHE 10 -2.488 10.941 1.877
77 HZ PHE 10 HZ PHE 10 -4.653 10.350 2.893
78 H SER 11 H SER 11 0.061 5.574 6.391
79 HA SER 11 HA SER 11 -2.476 5.522 7.539
80 HB2 SER 11 HB2 SER 11 -0.957 3.555 6.871
81 HB3 SER 11 HB3 SER 11 -0.230 3.739 8.467
82 HG SER 11 HG SER 11 -2.979 3.272 7.926
83 H SER 12 H SER 12 0.621 6.406 8.899
84 HA SER 12 HA SER 12 -0.356 6.468 11.614
85 HB2 SER 12 HB2 SER 12 1.994 5.921 11.165
86 HB3 SER 12 HB3 SER 12 2.232 7.507 10.431
87 HG SER 12 HG SER 12 2.799 7.987 12.415
88 H LYS 13 H LYS 13 0.475 8.829 9.110
89 HA LYS 13 HA LYS 13 0.152 11.172 10.557
90 HB2 LYS 13 HB2 LYS 13 0.945 10.838 8.132
91 HB3 LYS 13 HB3 LYS 13 -0.759 10.895 7.701
92 HG2 LYS 13 HG2 LYS 13 -0.560 13.120 9.218
93 HG3 LYS 13 HG3 LYS 13 1.059 13.050 8.520
94 HD2 LYS 13 HD2 LYS 13 -1.160 12.563 6.643
95 HD3 LYS 13 HD3 LYS 13 -1.066 14.197 7.305
96 HE2 LYS 13 HE2 LYS 13 1.424 14.081 6.669
97 HE3 LYS 13 HE3 LYS 13 0.960 12.704 5.671
98 HZ1 LYS 13 HZ1 LYS 13 0.862 15.313 4.923
99 HZ2 LYS 13 HZ2 LYS 13 -0.751 14.974 5.304
100 HZ3 LYS 13 HZ3 LYS 13 0.060 14.037 4.152
101 H PHE 14 H PHE 14 -2.262 9.074 9.108
102 HA PHE 14 HA PHE 14 -4.357 10.756 10.319
103 HB2 PHE 14 HB2 PHE 14 -4.338 10.703 7.792
104 HB3 PHE 14 HB3 PHE 14 -4.717 8.987 7.897
105 HD1 PHE 14 HD1 PHE 14 -6.884 8.688 7.190
106 HD2 PHE 14 HD2 PHE 14 -5.988 11.928 9.800
107 HE1 PHE 14 HE1 PHE 14 -9.280 9.226 7.338
108 HE2 PHE 14 HE2 PHE 14 -8.383 12.471 9.953
109 HZ PHE 14 HZ PHE 14 -10.033 11.119 8.722
Start of MODEL 3
1 H MET 1 H MET 1 2.206 -0.097 0.594
2 HA MET 1 HA MET 1 2.313 -0.015 -2.348
3 HB2 MET 1 HB2 MET 1 4.210 1.443 -0.505
4 HB3 MET 1 HB3 MET 1 4.147 1.543 -2.260
5 HG2 MET 1 HG2 MET 1 1.943 2.443 -0.420
6 HG3 MET 1 HG3 MET 1 3.176 3.500 -1.103
7 HE1 MET 1 HE1 MET 1 1.629 5.037 -1.905
8 HE2 MET 1 HE2 MET 1 2.421 4.920 -3.477
9 HE3 MET 1 HE3 MET 1 0.660 4.906 -3.373
10 H GLU 2 H GLU 2 2.570 -2.238 -0.397
11 HA GLU 2 HA GLU 2 3.870 -4.067 -0.008
12 HB2 GLU 2 HB2 GLU 2 5.159 -3.187 -2.598
13 HB3 GLU 2 HB3 GLU 2 5.341 -4.771 -1.859
14 HG2 GLU 2 HG2 GLU 2 3.098 -5.338 -2.266
15 HG3 GLU 2 HG3 GLU 2 2.662 -3.670 -2.634
16 H ASN 3 H ASN 3 4.718 -1.529 1.134
17 HA ASN 3 HA ASN 3 7.437 -2.300 1.810
18 HB2 ASN 3 HB2 ASN 3 6.720 0.292 0.467
19 HB3 ASN 3 HB3 ASN 3 8.096 0.203 1.563
20 HD21 ASN 3 HD21 ASN 3 6.893 -0.507 -1.549
21 HD22 ASN 3 HD22 ASN 3 8.325 -1.231 -2.189
22 H THR 4 H THR 4 8.267 -0.452 3.452
23 HA THR 4 HA THR 4 6.049 0.118 5.304
24 HB THR 4 HB THR 4 7.153 -1.763 6.263
25 HG1 THR 4 HG1 THR 4 8.431 0.333 7.645
26 HG21 THR 4 HG21 THR 4 9.207 -2.088 5.325
27 HG22 THR 4 HG22 THR 4 9.719 -1.321 6.828
28 HG23 THR 4 HG23 THR 4 9.609 -0.371 5.346
29 H SER 5 H SER 5 6.338 2.208 4.038
30 HA SER 5 HA SER 5 7.862 4.026 5.677
31 HB2 SER 5 HB2 SER 5 9.085 5.041 3.764
32 HB3 SER 5 HB3 SER 5 9.593 3.384 4.092
33 HG SER 5 HG SER 5 9.115 3.009 2.090
34 H ILE 6 H ILE 6 6.186 3.791 2.539
35 HA ILE 6 HA ILE 6 5.024 6.413 2.861
36 HB ILE 6 HB ILE 6 4.348 4.342 0.773
37 HG12 ILE 6 HG12 ILE 6 6.770 4.823 0.794
38 HG13 ILE 6 HG13 ILE 6 5.993 5.439 -0.661
39 HG21 ILE 6 HG21 ILE 6 4.149 6.929 -0.257
40 HG22 ILE 6 HG22 ILE 6 2.827 5.838 0.154
41 HG23 ILE 6 HG23 ILE 6 3.410 7.003 1.342
42 HD11 ILE 6 HD11 ILE 6 7.590 7.036 0.172
43 HD12 ILE 6 HD12 ILE 6 5.958 7.682 0.343
44 HD13 ILE 6 HD13 ILE 6 6.806 7.043 1.751
45 H THR 7 H THR 7 3.784 3.080 2.702
46 HA THR 7 HA THR 7 1.090 3.685 3.158
47 HB THR 7 HB THR 7 1.870 1.479 2.369
48 HG1 THR 7 HG1 THR 7 0.433 1.259 4.820
49 HG21 THR 7 HG21 THR 7 2.770 -0.145 3.944
50 HG22 THR 7 HG22 THR 7 2.739 1.060 5.232
51 HG23 THR 7 HG23 THR 7 3.823 1.266 3.856
52 H ILE 8 H ILE 8 3.778 3.299 5.366
53 HA ILE 8 HA ILE 8 2.090 3.283 7.713
54 HB ILE 8 HB ILE 8 4.175 3.294 8.990
55 HG12 ILE 8 HG12 ILE 8 6.257 2.936 7.315
56 HG13 ILE 8 HG13 ILE 8 5.291 4.043 6.346
57 HG21 ILE 8 HG21 ILE 8 4.470 1.345 6.721
58 HG22 ILE 8 HG22 ILE 8 4.904 1.125 8.415
59 HG23 ILE 8 HG23 ILE 8 3.207 1.201 7.942
60 HD11 ILE 8 HD11 ILE 8 5.247 5.250 8.786
61 HD12 ILE 8 HD12 ILE 8 6.857 4.530 8.755
62 HD13 ILE 8 HD13 ILE 8 6.360 5.636 7.475
63 H GLU 9 H GLU 9 4.028 5.580 5.909
64 HA GLU 9 HA GLU 9 4.052 7.646 7.837
65 HB2 GLU 9 HB2 GLU 9 5.621 7.738 6.034
66 HB3 GLU 9 HB3 GLU 9 4.337 7.682 4.834
67 HG2 GLU 9 HG2 GLU 9 3.829 9.883 5.063
68 HG3 GLU 9 HG3 GLU 9 4.315 9.934 6.757
69 H PHE 10 H PHE 10 1.739 6.673 5.398
70 HA PHE 10 HA PHE 10 0.122 9.047 5.725
71 HB2 PHE 10 HB2 PHE 10 0.050 6.625 4.006
72 HB3 PHE 10 HB3 PHE 10 -1.489 7.415 4.334
73 HD1 PHE 10 HD1 PHE 10 -1.949 9.640 3.500
74 HD2 PHE 10 HD2 PHE 10 1.758 7.710 2.693
75 HE1 PHE 10 HE1 PHE 10 -1.475 11.294 1.742
76 HE2 PHE 10 HE2 PHE 10 2.238 9.362 0.934
77 HZ PHE 10 HZ PHE 10 0.622 11.157 0.457
78 H SER 11 H SER 11 -0.062 5.625 6.614
79 HA SER 11 HA SER 11 -2.613 5.761 7.828
80 HB2 SER 11 HB2 SER 11 -2.054 3.574 7.393
81 HB3 SER 11 HB3 SER 11 -0.357 3.812 7.812
82 HG SER 11 HG SER 11 -1.794 2.556 9.311
83 H SER 12 H SER 12 0.580 6.566 8.914
84 HA SER 12 HA SER 12 -0.120 6.606 11.714
85 HB2 SER 12 HB2 SER 12 2.177 6.067 11.011
86 HB3 SER 12 HB3 SER 12 2.336 7.671 10.296
87 HG SER 12 HG SER 12 2.800 8.408 12.198
88 H LYS 13 H LYS 13 0.729 9.061 9.277
89 HA LYS 13 HA LYS 13 0.385 11.335 10.805
90 HB2 LYS 13 HB2 LYS 13 0.105 10.736 7.893
91 HB3 LYS 13 HB3 LYS 13 -0.440 12.302 8.480
92 HG2 LYS 13 HG2 LYS 13 1.958 12.263 9.628
93 HG3 LYS 13 HG3 LYS 13 2.297 11.203 8.258
94 HD2 LYS 13 HD2 LYS 13 1.129 13.981 8.088
95 HD3 LYS 13 HD3 LYS 13 2.805 13.546 7.741
96 HE2 LYS 13 HE2 LYS 13 0.375 12.519 6.278
97 HE3 LYS 13 HE3 LYS 13 1.476 13.765 5.693
98 HZ1 LYS 13 HZ1 LYS 13 2.032 10.888 6.105
99 HZ2 LYS 13 HZ2 LYS 13 3.271 12.025 5.927
100 HZ3 LYS 13 HZ3 LYS 13 2.158 11.785 4.676
101 H PHE 14 H PHE 14 -2.049 9.415 9.115
102 HA PHE 14 HA PHE 14 -4.122 10.898 10.587
103 HB2 PHE 14 HB2 PHE 14 -4.218 11.588 8.254
104 HB3 PHE 14 HB3 PHE 14 -4.272 9.907 7.734
105 HD1 PHE 14 HD1 PHE 14 -6.306 8.779 7.540
106 HD2 PHE 14 HD2 PHE 14 -6.140 12.480 9.635
107 HE1 PHE 14 HE1 PHE 14 -8.764 8.825 7.646
108 HE2 PHE 14 HE2 PHE 14 -8.597 12.531 9.746
109 HZ PHE 14 HZ PHE 14 -9.913 10.702 8.752
Start of MODEL 4
1 H MET 1 H MET 1 1.833 0.012 0.848
2 HA MET 1 HA MET 1 1.335 -0.389 -2.019
3 HB2 MET 1 HB2 MET 1 3.148 1.667 -0.762
4 HB3 MET 1 HB3 MET 1 3.296 1.168 -2.441
5 HG2 MET 1 HG2 MET 1 1.054 1.949 -2.904
6 HG3 MET 1 HG3 MET 1 0.831 2.374 -1.209
7 HE1 MET 1 HE1 MET 1 0.373 4.180 -3.786
8 HE2 MET 1 HE2 MET 1 1.627 5.374 -4.120
9 HE3 MET 1 HE3 MET 1 1.829 3.708 -4.664
10 H GLU 2 H GLU 2 2.184 -2.150 0.216
11 HA GLU 2 HA GLU 2 3.638 -3.864 0.567
12 HB2 GLU 2 HB2 GLU 2 4.685 -3.251 -2.199
13 HB3 GLU 2 HB3 GLU 2 4.836 -4.767 -1.322
14 HG2 GLU 2 HG2 GLU 2 2.367 -4.991 -1.393
15 HG3 GLU 2 HG3 GLU 2 2.307 -3.548 -2.402
16 H ASN 3 H ASN 3 4.378 -1.426 1.623
17 HA ASN 3 HA ASN 3 7.269 -1.741 1.713
18 HB2 ASN 3 HB2 ASN 3 5.870 0.759 0.806
19 HB3 ASN 3 HB3 ASN 3 7.433 0.852 1.613
20 HD21 ASN 3 HD21 ASN 3 5.746 0.027 -1.263
21 HD22 ASN 3 HD22 ASN 3 7.130 -0.325 -2.236
22 H THR 4 H THR 4 8.090 0.109 3.357
23 HA THR 4 HA THR 4 6.201 0.264 5.600
24 HB THR 4 HB THR 4 7.621 -1.687 6.027
25 HG1 THR 4 HG1 THR 4 7.007 -0.428 7.825
26 HG21 THR 4 HG21 THR 4 10.103 -0.354 6.572
27 HG22 THR 4 HG22 THR 4 9.641 -0.085 4.891
28 HG23 THR 4 HG23 THR 4 9.788 -1.729 5.513
29 H SER 5 H SER 5 6.782 2.356 3.894
30 HA SER 5 HA SER 5 8.138 4.186 5.728
31 HB2 SER 5 HB2 SER 5 9.958 4.037 4.347
32 HB3 SER 5 HB3 SER 5 8.995 3.537 2.957
33 HG SER 5 HG SER 5 9.784 6.035 3.726
34 H ILE 6 H ILE 6 6.507 4.067 2.557
35 HA ILE 6 HA ILE 6 5.285 6.646 3.006
36 HB ILE 6 HB ILE 6 4.703 4.703 0.773
37 HG12 ILE 6 HG12 ILE 6 7.107 5.172 0.856
38 HG13 ILE 6 HG13 ILE 6 6.368 5.947 -0.541
39 HG21 ILE 6 HG21 ILE 6 4.332 7.070 -0.337
40 HG22 ILE 6 HG22 ILE 6 3.058 6.274 0.586
41 HG23 ILE 6 HG23 ILE 6 4.029 7.541 1.335
42 HD11 ILE 6 HD11 ILE 6 7.955 7.115 1.463
43 HD12 ILE 6 HD12 ILE 6 7.153 7.906 0.105
44 HD13 ILE 6 HD13 ILE 6 6.325 7.761 1.655
45 H THR 7 H THR 7 4.087 3.324 2.522
46 HA THR 7 HA THR 7 1.384 3.838 2.956
47 HB THR 7 HB THR 7 2.279 1.696 2.067
48 HG1 THR 7 HG1 THR 7 0.620 0.530 2.938
49 HG21 THR 7 HG21 THR 7 2.925 1.094 4.956
50 HG22 THR 7 HG22 THR 7 4.118 1.436 3.702
51 HG23 THR 7 HG23 THR 7 3.104 -0.003 3.588
52 H ILE 8 H ILE 8 4.008 3.426 5.221
53 HA ILE 8 HA ILE 8 2.233 3.227 7.505
54 HB ILE 8 HB ILE 8 4.264 3.159 8.857
55 HG12 ILE 8 HG12 ILE 8 6.416 2.933 7.245
56 HG13 ILE 8 HG13 ILE 8 5.478 4.101 6.320
57 HG21 ILE 8 HG21 ILE 8 4.813 1.363 6.530
58 HG22 ILE 8 HG22 ILE 8 4.921 1.022 8.256
59 HG23 ILE 8 HG23 ILE 8 3.342 1.164 7.483
60 HD11 ILE 8 HD11 ILE 8 7.184 4.642 8.418
61 HD12 ILE 8 HD12 ILE 8 5.997 5.742 7.716
62 HD13 ILE 8 HD13 ILE 8 5.576 4.777 9.130
63 H GLU 9 H GLU 9 4.213 5.634 5.905
64 HA GLU 9 HA GLU 9 4.192 7.584 7.941
65 HB2 GLU 9 HB2 GLU 9 5.764 7.805 6.155
66 HB3 GLU 9 HB3 GLU 9 4.487 7.798 4.947
67 HG2 GLU 9 HG2 GLU 9 3.752 9.959 5.582
68 HG3 GLU 9 HG3 GLU 9 4.768 9.950 7.023
69 H PHE 10 H PHE 10 1.888 6.727 5.453
70 HA PHE 10 HA PHE 10 0.236 9.056 5.977
71 HB2 PHE 10 HB2 PHE 10 0.551 7.995 3.680
72 HB3 PHE 10 HB3 PHE 10 -0.479 6.687 4.253
73 HD1 PHE 10 HD1 PHE 10 -2.586 6.816 3.373
74 HD2 PHE 10 HD2 PHE 10 -0.604 10.411 4.500
75 HE1 PHE 10 HE1 PHE 10 -4.581 8.110 2.742
76 HE2 PHE 10 HE2 PHE 10 -2.596 11.710 3.871
77 HZ PHE 10 HZ PHE 10 -4.588 10.561 2.992
78 H SER 11 H SER 11 0.046 5.537 6.390
79 HA SER 11 HA SER 11 -2.512 5.444 7.531
80 HB2 SER 11 HB2 SER 11 -1.732 3.355 6.886
81 HB3 SER 11 HB3 SER 11 -0.131 3.626 7.572
82 HG SER 11 HG SER 11 -1.109 2.258 8.965
83 H SER 12 H SER 12 0.564 6.335 8.855
84 HA SER 12 HA SER 12 -0.383 6.171 11.601
85 HB2 SER 12 HB2 SER 12 1.939 5.529 11.104
86 HB3 SER 12 HB3 SER 12 2.260 7.151 10.492
87 HG SER 12 HG SER 12 2.307 7.913 12.481
88 H LYS 13 H LYS 13 0.670 8.654 9.294
89 HA LYS 13 HA LYS 13 0.294 10.873 10.974
90 HB2 LYS 13 HB2 LYS 13 1.567 10.969 8.873
91 HB3 LYS 13 HB3 LYS 13 0.085 10.718 7.961
92 HG2 LYS 13 HG2 LYS 13 0.220 12.972 7.799
93 HG3 LYS 13 HG3 LYS 13 -0.669 12.866 9.321
94 HD2 LYS 13 HD2 LYS 13 2.290 12.816 9.480
95 HD3 LYS 13 HD3 LYS 13 1.536 14.348 9.032
96 HE2 LYS 13 HE2 LYS 13 0.410 12.866 11.347
97 HE3 LYS 13 HE3 LYS 13 1.965 13.667 11.562
98 HZ1 LYS 13 HZ1 LYS 13 -0.665 14.856 10.976
99 HZ2 LYS 13 HZ2 LYS 13 0.747 15.676 10.533
100 HZ3 LYS 13 HZ3 LYS 13 0.465 15.293 12.157
101 H PHE 14 H PHE 14 -1.898 9.219 8.748
102 HA PHE 14 HA PHE 14 -4.121 10.733 9.947
103 HB2 PHE 14 HB2 PHE 14 -3.531 11.300 7.509
104 HB3 PHE 14 HB3 PHE 14 -4.169 9.707 7.116
105 HD1 PHE 14 HD1 PHE 14 -6.372 9.566 6.499
106 HD2 PHE 14 HD2 PHE 14 -5.145 12.747 9.047
107 HE1 PHE 14 HE1 PHE 14 -8.648 10.496 6.428
108 HE2 PHE 14 HE2 PHE 14 -7.421 13.682 8.981
109 HZ PHE 14 HZ PHE 14 -9.175 12.557 7.669
Start of MODEL 5
1 H MET 1 H MET 1 1.876 0.027 0.453
2 HA MET 1 HA MET 1 1.732 -0.583 -2.424
3 HB2 MET 1 HB2 MET 1 3.291 1.564 -1.017
4 HB3 MET 1 HB3 MET 1 3.850 0.910 -2.551
5 HG2 MET 1 HG2 MET 1 1.789 1.584 -3.624
6 HG3 MET 1 HG3 MET 1 1.156 2.166 -2.086
7 HE1 MET 1 HE1 MET 1 2.031 4.788 -4.921
8 HE2 MET 1 HE2 MET 1 3.429 3.770 -5.270
9 HE3 MET 1 HE3 MET 1 1.834 3.041 -5.072
10 H GLU 2 H GLU 2 2.259 -2.255 -0.027
11 HA GLU 2 HA GLU 2 3.652 -3.928 0.633
12 HB2 GLU 2 HB2 GLU 2 4.984 -3.645 -2.057
13 HB3 GLU 2 HB3 GLU 2 4.865 -5.086 -1.057
14 HG2 GLU 2 HG2 GLU 2 2.618 -3.716 -2.513
15 HG3 GLU 2 HG3 GLU 2 3.359 -5.262 -2.921
16 H ASN 3 H ASN 3 4.402 -1.362 1.435
17 HA ASN 3 HA ASN 3 7.297 -1.728 1.681
18 HB2 ASN 3 HB2 ASN 3 5.886 0.654 0.579
19 HB3 ASN 3 HB3 ASN 3 7.285 0.937 1.611
20 HD21 ASN 3 HD21 ASN 3 6.229 -0.906 -1.214
21 HD22 ASN 3 HD22 ASN 3 7.752 -0.864 -2.029
22 H THR 4 H THR 4 8.096 0.068 3.347
23 HA THR 4 HA THR 4 6.151 0.252 5.543
24 HB THR 4 HB THR 4 7.569 -1.686 6.014
25 HG1 THR 4 HG1 THR 4 8.359 -0.905 8.068
26 HG21 THR 4 HG21 THR 4 9.984 0.015 6.345
27 HG22 THR 4 HG22 THR 4 9.548 -0.483 4.711
28 HG23 THR 4 HG23 THR 4 9.853 -1.698 5.951
29 H SER 5 H SER 5 6.714 2.349 3.865
30 HA SER 5 HA SER 5 8.044 4.190 5.704
31 HB2 SER 5 HB2 SER 5 9.880 4.065 4.347
32 HB3 SER 5 HB3 SER 5 8.943 3.538 2.949
33 HG SER 5 HG SER 5 8.629 5.559 2.382
34 H ILE 6 H ILE 6 6.406 4.014 2.542
35 HA ILE 6 HA ILE 6 5.190 6.603 2.932
36 HB ILE 6 HB ILE 6 4.728 4.559 0.757
37 HG12 ILE 6 HG12 ILE 6 6.345 7.106 0.619
38 HG13 ILE 6 HG13 ILE 6 7.060 5.537 0.973
39 HG21 ILE 6 HG21 ILE 6 3.783 6.488 -0.489
40 HG22 ILE 6 HG22 ILE 6 2.836 6.028 0.925
41 HG23 ILE 6 HG23 ILE 6 3.887 7.443 0.990
42 HD11 ILE 6 HD11 ILE 6 5.718 6.431 -1.556
43 HD12 ILE 6 HD12 ILE 6 7.390 5.920 -1.323
44 HD13 ILE 6 HD13 ILE 6 6.083 4.742 -1.209
45 H THR 7 H THR 7 4.005 3.260 2.605
46 HA THR 7 HA THR 7 1.298 3.802 3.053
47 HB THR 7 HB THR 7 2.189 1.638 2.190
48 HG1 THR 7 HG1 THR 7 0.587 0.418 3.243
49 HG21 THR 7 HG21 THR 7 2.785 1.036 5.087
50 HG22 THR 7 HG22 THR 7 4.013 1.431 3.884
51 HG23 THR 7 HG23 THR 7 3.036 -0.026 3.702
52 H ILE 8 H ILE 8 3.964 3.419 5.273
53 HA ILE 8 HA ILE 8 2.238 3.262 7.596
54 HB ILE 8 HB ILE 8 4.288 3.210 8.908
55 HG12 ILE 8 HG12 ILE 8 6.428 3.010 7.292
56 HG13 ILE 8 HG13 ILE 8 5.465 4.138 6.344
57 HG21 ILE 8 HG21 ILE 8 3.371 1.205 7.528
58 HG22 ILE 8 HG22 ILE 8 4.849 1.412 6.589
59 HG23 ILE 8 HG23 ILE 8 4.942 1.076 8.318
60 HD11 ILE 8 HD11 ILE 8 6.891 4.529 8.872
61 HD12 ILE 8 HD12 ILE 8 6.498 5.679 7.592
62 HD13 ILE 8 HD13 ILE 8 5.285 5.253 8.799
63 H GLU 9 H GLU 9 4.155 5.650 5.899
64 HA GLU 9 HA GLU 9 4.177 7.637 7.903
65 HB2 GLU 9 HB2 GLU 9 5.706 7.831 6.076
66 HB3 GLU 9 HB3 GLU 9 4.401 7.797 4.899
67 HG2 GLU 9 HG2 GLU 9 3.653 9.965 5.563
68 HG3 GLU 9 HG3 GLU 9 4.774 9.989 6.923
69 H PHE 10 H PHE 10 1.826 6.730 5.475
70 HA PHE 10 HA PHE 10 0.174 9.059 5.990
71 HB2 PHE 10 HB2 PHE 10 0.404 8.020 3.708
72 HB3 PHE 10 HB3 PHE 10 -0.493 6.632 4.316
73 HD1 PHE 10 HD1 PHE 10 -2.835 7.047 5.234
74 HD2 PHE 10 HD2 PHE 10 -0.712 9.877 2.867
75 HE1 PHE 10 HE1 PHE 10 -4.952 8.175 4.690
76 HE2 PHE 10 HE2 PHE 10 -2.826 11.010 2.320
77 HZ PHE 10 HZ PHE 10 -4.950 10.160 3.232
78 H SER 11 H SER 11 -0.038 5.541 6.444
79 HA SER 11 HA SER 11 -2.551 5.482 7.671
80 HB2 SER 11 HB2 SER 11 -1.449 3.457 6.850
81 HB3 SER 11 HB3 SER 11 -0.194 3.624 8.078
82 HG SER 11 HG SER 11 -1.768 2.155 8.764
83 H SER 12 H SER 12 0.570 6.363 8.896
84 HA SER 12 HA SER 12 -0.286 6.237 11.670
85 HB2 SER 12 HB2 SER 12 2.010 5.605 11.177
86 HB3 SER 12 HB3 SER 12 2.308 7.166 10.413
87 HG SER 12 HG SER 12 3.006 7.581 12.382
88 H LYS 13 H LYS 13 0.726 8.720 9.336
89 HA LYS 13 HA LYS 13 0.450 10.964 10.937
90 HB2 LYS 13 HB2 LYS 13 0.294 10.451 8.008
91 HB3 LYS 13 HB3 LYS 13 -0.282 12.006 8.592
92 HG2 LYS 13 HG2 LYS 13 2.389 11.035 9.479
93 HG3 LYS 13 HG3 LYS 13 2.204 11.686 7.848
94 HD2 LYS 13 HD2 LYS 13 2.734 13.598 8.998
95 HD3 LYS 13 HD3 LYS 13 0.973 13.634 9.121
96 HE2 LYS 13 HE2 LYS 13 0.982 13.048 11.343
97 HE3 LYS 13 HE3 LYS 13 2.536 12.224 11.230
98 HZ1 LYS 13 HZ1 LYS 13 1.999 14.885 12.002
99 HZ2 LYS 13 HZ2 LYS 13 3.003 14.892 10.641
100 HZ3 LYS 13 HZ3 LYS 13 3.469 14.049 12.031
101 H PHE 14 H PHE 14 -2.003 9.343 8.949
102 HA PHE 14 HA PHE 14 -4.108 10.033 10.716
103 HB2 PHE 14 HB2 PHE 14 -3.797 12.249 9.680
104 HB3 PHE 14 HB3 PHE 14 -4.043 11.534 8.090
105 HD1 PHE 14 HD1 PHE 14 -6.228 10.991 7.299
106 HD2 PHE 14 HD2 PHE 14 -5.659 12.436 11.262
107 HE1 PHE 14 HE1 PHE 14 -8.651 11.359 7.509
108 HE2 PHE 14 HE2 PHE 14 -8.082 12.806 11.478
109 HZ PHE 14 HZ PHE 14 -9.581 12.268 9.600
Start of MODEL 6
1 H MET 1 H MET 1 1.879 0.052 0.711
2 HA MET 1 HA MET 1 1.530 -0.516 -2.155
3 HB2 MET 1 HB2 MET 1 3.346 1.538 -0.891
4 HB3 MET 1 HB3 MET 1 3.497 1.006 -2.561
5 HG2 MET 1 HG2 MET 1 1.002 2.232 -1.415
6 HG3 MET 1 HG3 MET 1 2.263 3.148 -2.237
7 HE1 MET 1 HE1 MET 1 -0.450 3.622 -3.314
8 HE2 MET 1 HE2 MET 1 0.952 4.126 -4.259
9 HE3 MET 1 HE3 MET 1 -0.368 3.250 -5.037
10 H GLU 2 H GLU 2 2.227 -2.210 0.177
11 HA GLU 2 HA GLU 2 3.657 -3.898 0.707
12 HB2 GLU 2 HB2 GLU 2 4.641 -3.464 -2.119
13 HB3 GLU 2 HB3 GLU 2 4.977 -4.875 -1.127
14 HG2 GLU 2 HG2 GLU 2 2.323 -3.998 -2.228
15 HG3 GLU 2 HG3 GLU 2 3.241 -5.444 -2.644
16 H ASN 3 H ASN 3 4.432 -1.421 1.619
17 HA ASN 3 HA ASN 3 7.325 -1.765 1.730
18 HB2 ASN 3 HB2 ASN 3 5.931 0.737 0.806
19 HB3 ASN 3 HB3 ASN 3 7.526 0.804 1.550
20 HD21 ASN 3 HD21 ASN 3 5.842 0.453 -1.301
21 HD22 ASN 3 HD22 ASN 3 7.125 -0.130 -2.300
22 H THR 4 H THR 4 8.133 0.175 3.309
23 HA THR 4 HA THR 4 6.265 0.358 5.565
24 HB THR 4 HB THR 4 7.700 -1.564 6.043
25 HG1 THR 4 HG1 THR 4 7.913 -0.925 8.068
26 HG21 THR 4 HG21 THR 4 9.893 -1.623 5.611
27 HG22 THR 4 HG22 THR 4 10.172 -0.101 6.457
28 HG23 THR 4 HG23 THR 4 9.677 -0.092 4.764
29 H SER 5 H SER 5 6.763 2.423 3.837
30 HA SER 5 HA SER 5 8.168 4.297 5.589
31 HB2 SER 5 HB2 SER 5 9.231 5.371 3.584
32 HB3 SER 5 HB3 SER 5 9.851 3.761 3.947
33 HG SER 5 HG SER 5 9.186 4.367 1.664
34 H ILE 6 H ILE 6 6.464 4.184 2.454
35 HA ILE 6 HA ILE 6 5.181 6.716 2.986
36 HB ILE 6 HB ILE 6 4.636 4.807 0.713
37 HG12 ILE 6 HG12 ILE 6 7.015 5.387 0.770
38 HG13 ILE 6 HG13 ILE 6 6.219 6.170 -0.591
39 HG21 ILE 6 HG21 ILE 6 3.698 7.488 1.445
40 HG22 ILE 6 HG22 ILE 6 4.229 7.322 -0.228
41 HG23 ILE 6 HG23 ILE 6 2.962 6.271 0.402
42 HD11 ILE 6 HD11 ILE 6 6.945 7.466 2.025
43 HD12 ILE 6 HD12 ILE 6 7.773 7.679 0.482
44 HD13 ILE 6 HD13 ILE 6 6.118 8.255 0.683
45 H THR 7 H THR 7 4.087 3.363 2.488
46 HA THR 7 HA THR 7 1.368 3.791 2.950
47 HB THR 7 HB THR 7 2.328 1.691 2.020
48 HG1 THR 7 HG1 THR 7 0.246 1.459 2.661
49 HG21 THR 7 HG21 THR 7 4.183 1.419 3.599
50 HG22 THR 7 HG22 THR 7 3.162 -0.019 3.560
51 HG23 THR 7 HG23 THR 7 3.032 1.118 4.901
52 H ILE 8 H ILE 8 4.033 3.403 5.177
53 HA ILE 8 HA ILE 8 2.295 3.124 7.479
54 HB ILE 8 HB ILE 8 4.347 3.098 8.804
55 HG12 ILE 8 HG12 ILE 8 6.484 2.957 7.173
56 HG13 ILE 8 HG13 ILE 8 5.502 4.094 6.257
57 HG21 ILE 8 HG21 ILE 8 5.239 1.028 8.004
58 HG22 ILE 8 HG22 ILE 8 3.511 1.048 7.655
59 HG23 ILE 8 HG23 ILE 8 4.675 1.358 6.367
60 HD11 ILE 8 HD11 ILE 8 6.966 4.457 8.755
61 HD12 ILE 8 HD12 ILE 8 6.481 5.635 7.536
62 HD13 ILE 8 HD13 ILE 8 5.332 5.119 8.770
63 H GLU 9 H GLU 9 4.177 5.615 5.890
64 HA GLU 9 HA GLU 9 4.091 7.528 7.972
65 HB2 GLU 9 HB2 GLU 9 5.701 7.805 6.224
66 HB3 GLU 9 HB3 GLU 9 4.450 7.801 4.989
67 HG2 GLU 9 HG2 GLU 9 3.846 9.959 5.387
68 HG3 GLU 9 HG3 GLU 9 4.329 9.899 7.081
69 H PHE 10 H PHE 10 1.844 6.607 5.473
70 HA PHE 10 HA PHE 10 0.144 8.916 5.919
71 HB2 PHE 10 HB2 PHE 10 0.213 6.652 3.997
72 HB3 PHE 10 HB3 PHE 10 -1.366 7.346 4.351
73 HD1 PHE 10 HD1 PHE 10 -1.533 9.935 4.169
74 HD2 PHE 10 HD2 PHE 10 1.531 7.597 2.362
75 HE1 PHE 10 HE1 PHE 10 -1.090 11.755 2.574
76 HE2 PHE 10 HE2 PHE 10 1.980 9.414 0.765
77 HZ PHE 10 HZ PHE 10 0.668 11.496 0.869
78 H SER 11 H SER 11 -0.031 5.399 6.396
79 HA SER 11 HA SER 11 -2.578 5.322 7.557
80 HB2 SER 11 HB2 SER 11 -1.796 3.225 6.940
81 HB3 SER 11 HB3 SER 11 -0.193 3.508 7.620
82 HG SER 11 HG SER 11 -2.167 2.219 8.741
83 H SER 12 H SER 12 0.547 6.114 8.887
84 HA SER 12 HA SER 12 -0.381 6.016 11.627
85 HB2 SER 12 HB2 SER 12 1.925 5.414 11.214
86 HB3 SER 12 HB3 SER 12 2.226 6.952 10.406
87 HG SER 12 HG SER 12 2.953 7.244 12.443
88 H LYS 13 H LYS 13 0.735 8.545 9.383
89 HA LYS 13 HA LYS 13 0.353 10.760 10.987
90 HB2 LYS 13 HB2 LYS 13 1.426 10.837 8.776
91 HB3 LYS 13 HB3 LYS 13 -0.130 10.547 8.009
92 HG2 LYS 13 HG2 LYS 13 -0.033 12.802 7.797
93 HG3 LYS 13 HG3 LYS 13 -0.799 12.707 9.384
94 HD2 LYS 13 HD2 LYS 13 2.178 12.756 9.219
95 HD3 LYS 13 HD3 LYS 13 1.285 14.259 8.978
96 HE2 LYS 13 HE2 LYS 13 0.055 13.556 11.163
97 HE3 LYS 13 HE3 LYS 13 1.463 12.524 11.408
98 HZ1 LYS 13 HZ1 LYS 13 2.388 15.050 10.683
99 HZ2 LYS 13 HZ2 LYS 13 2.542 14.278 12.180
100 HZ3 LYS 13 HZ3 LYS 13 1.214 15.282 11.880
101 H PHE 14 H PHE 14 -2.008 8.964 9.088
102 HA PHE 14 HA PHE 14 -4.282 8.956 9.088
103 HB2 PHE 14 HB2 PHE 14 -3.674 9.006 11.667
104 HB3 PHE 14 HB3 PHE 14 -4.401 10.606 11.574
105 HD1 PHE 14 HD1 PHE 14 -6.625 10.750 12.090
106 HD2 PHE 14 HD2 PHE 14 -5.137 7.138 10.402
107 HE1 PHE 14 HE1 PHE 14 -8.862 9.744 12.280
108 HE2 PHE 14 HE2 PHE 14 -7.372 6.126 10.588
109 HZ PHE 14 HZ PHE 14 -9.238 7.429 11.529
Start of MODEL 7
1 H MET 1 H MET 1 2.226 -0.057 0.421
2 HA MET 1 HA MET 1 1.960 -0.679 -2.440
3 HB2 MET 1 HB2 MET 1 3.637 1.449 -1.148
4 HB3 MET 1 HB3 MET 1 4.140 0.721 -2.668
5 HG2 MET 1 HG2 MET 1 2.987 2.535 -3.427
6 HG3 MET 1 HG3 MET 1 1.711 1.319 -3.416
7 HE1 MET 1 HE1 MET 1 -0.592 1.881 -2.461
8 HE2 MET 1 HE2 MET 1 -0.874 3.568 -2.030
9 HE3 MET 1 HE3 MET 1 -0.080 3.168 -3.554
10 H GLU 2 H GLU 2 2.453 -2.370 -0.101
11 HA GLU 2 HA GLU 2 3.778 -4.108 0.529
12 HB2 GLU 2 HB2 GLU 2 5.196 -3.786 -2.110
13 HB3 GLU 2 HB3 GLU 2 4.998 -5.252 -1.161
14 HG2 GLU 2 HG2 GLU 2 2.920 -3.783 -2.752
15 HG3 GLU 2 HG3 GLU 2 3.525 -5.421 -2.994
16 H ASN 3 H ASN 3 4.583 -1.480 1.292
17 HA ASN 3 HA ASN 3 7.422 -2.004 1.764
18 HB2 ASN 3 HB2 ASN 3 6.275 0.501 0.551
19 HB3 ASN 3 HB3 ASN 3 7.791 0.533 1.446
20 HD21 ASN 3 HD21 ASN 3 6.365 0.060 -1.532
21 HD22 ASN 3 HD22 ASN 3 7.708 -0.648 -2.358
22 H THR 4 H THR 4 8.198 -0.044 3.310
23 HA THR 4 HA THR 4 6.127 0.385 5.349
24 HB THR 4 HB THR 4 7.310 -1.493 6.213
25 HG1 THR 4 HG1 THR 4 8.532 0.757 7.452
26 HG21 THR 4 HG21 THR 4 9.304 -1.816 5.174
27 HG22 THR 4 HG22 THR 4 9.916 -0.985 6.604
28 HG23 THR 4 HG23 THR 4 9.669 -0.093 5.103
29 H SER 5 H SER 5 6.297 2.496 4.111
30 HA SER 5 HA SER 5 7.843 4.332 5.680
31 HB2 SER 5 HB2 SER 5 9.027 5.349 3.721
32 HB3 SER 5 HB3 SER 5 9.595 3.729 4.126
33 HG SER 5 HG SER 5 8.236 2.943 2.438
34 H ILE 6 H ILE 6 6.226 4.105 2.508
35 HA ILE 6 HA ILE 6 5.000 6.694 2.858
36 HB ILE 6 HB ILE 6 4.404 4.665 0.707
37 HG12 ILE 6 HG12 ILE 6 6.805 5.101 0.743
38 HG13 ILE 6 HG13 ILE 6 6.071 5.869 -0.661
39 HG21 ILE 6 HG21 ILE 6 3.855 6.761 -0.579
40 HG22 ILE 6 HG22 ILE 6 2.756 6.367 0.743
41 HG23 ILE 6 HG23 ILE 6 3.967 7.632 0.951
42 HD11 ILE 6 HD11 ILE 6 7.030 7.169 1.868
43 HD12 ILE 6 HD12 ILE 6 7.620 7.407 0.222
44 HD13 ILE 6 HD13 ILE 6 6.023 7.997 0.681
45 H THR 7 H THR 7 3.862 3.332 2.643
46 HA THR 7 HA THR 7 1.133 3.900 3.053
47 HB THR 7 HB THR 7 1.944 1.746 2.152
48 HG1 THR 7 HG1 THR 7 0.390 1.584 4.538
49 HG21 THR 7 HG21 THR 7 2.783 1.186 5.000
50 HG22 THR 7 HG22 THR 7 3.877 1.456 3.644
51 HG23 THR 7 HG23 THR 7 2.824 0.042 3.659
52 H ILE 8 H ILE 8 3.806 3.444 5.259
53 HA ILE 8 HA ILE 8 2.103 3.262 7.589
54 HB ILE 8 HB ILE 8 4.220 3.320 8.871
55 HG12 ILE 8 HG12 ILE 8 6.145 2.886 6.885
56 HG13 ILE 8 HG13 ILE 8 5.227 4.280 6.328
57 HG21 ILE 8 HG21 ILE 8 4.682 1.330 6.710
58 HG22 ILE 8 HG22 ILE 8 4.705 1.124 8.461
59 HG23 ILE 8 HG23 ILE 8 3.167 1.259 7.609
60 HD11 ILE 8 HD11 ILE 8 7.168 4.066 8.462
61 HD12 ILE 8 HD12 ILE 8 6.550 5.493 7.629
62 HD13 ILE 8 HD13 ILE 8 5.665 4.816 8.996
63 H GLU 9 H GLU 9 3.962 5.701 5.904
64 HA GLU 9 HA GLU 9 3.980 7.662 7.931
65 HB2 GLU 9 HB2 GLU 9 5.476 7.906 6.083
66 HB3 GLU 9 HB3 GLU 9 4.153 7.865 4.926
67 HG2 GLU 9 HG2 GLU 9 3.387 10.012 5.606
68 HG3 GLU 9 HG3 GLU 9 4.496 10.036 6.976
69 H PHE 10 H PHE 10 1.617 6.773 5.501
70 HA PHE 10 HA PHE 10 -0.074 9.051 6.121
71 HB2 PHE 10 HB2 PHE 10 0.148 8.170 3.791
72 HB3 PHE 10 HB3 PHE 10 -0.655 6.695 4.317
73 HD1 PHE 10 HD1 PHE 10 -3.021 6.770 5.037
74 HD2 PHE 10 HD2 PHE 10 -1.073 10.142 3.321
75 HE1 PHE 10 HE1 PHE 10 -5.210 7.798 4.582
76 HE2 PHE 10 HE2 PHE 10 -3.258 11.177 2.864
77 HZ PHE 10 HZ PHE 10 -5.330 10.005 3.496
78 H SER 11 H SER 11 0.081 5.603 6.742
79 HA SER 11 HA SER 11 -2.531 5.409 7.884
80 HB2 SER 11 HB2 SER 11 -1.460 3.433 6.947
81 HB3 SER 11 HB3 SER 11 -0.132 3.573 8.099
82 HG SER 11 HG SER 11 -1.326 2.344 9.308
83 H SER 12 H SER 12 0.611 6.281 9.057
84 HA SER 12 HA SER 12 -0.155 6.007 11.846
85 HB2 SER 12 HB2 SER 12 2.153 5.465 11.137
86 HB3 SER 12 HB3 SER 12 2.379 7.140 10.633
87 HG SER 12 HG SER 12 2.143 6.070 13.218
88 H LYS 13 H LYS 13 0.768 8.626 9.624
89 HA LYS 13 HA LYS 13 0.173 10.693 11.507
90 HB2 LYS 13 HB2 LYS 13 0.517 10.854 8.507
91 HB3 LYS 13 HB3 LYS 13 0.512 12.220 9.614
92 HG2 LYS 13 HG2 LYS 13 2.493 9.992 9.903
93 HG3 LYS 13 HG3 LYS 13 2.766 11.333 8.788
94 HD2 LYS 13 HD2 LYS 13 1.989 11.965 11.590
95 HD3 LYS 13 HD3 LYS 13 3.634 11.402 11.287
96 HE2 LYS 13 HE2 LYS 13 3.644 13.196 9.422
97 HE3 LYS 13 HE3 LYS 13 2.262 13.869 10.284
98 HZ1 LYS 13 HZ1 LYS 13 3.807 14.939 11.463
99 HZ2 LYS 13 HZ2 LYS 13 5.056 13.905 10.983
100 HZ3 LYS 13 HZ3 LYS 13 4.043 13.468 12.264
101 H PHE 14 H PHE 14 -1.641 8.916 9.155
102 HA PHE 14 HA PHE 14 -3.828 8.945 8.534
103 HB2 PHE 14 HB2 PHE 14 -4.054 10.387 11.179
104 HB3 PHE 14 HB3 PHE 14 -5.446 9.887 10.225
105 HD1 PHE 14 HD1 PHE 14 -5.773 7.437 9.756
106 HD2 PHE 14 HD2 PHE 14 -2.951 8.884 12.595
107 HE1 PHE 14 HE1 PHE 14 -5.695 5.214 10.807
108 HE2 PHE 14 HE2 PHE 14 -2.868 6.663 13.650
109 HZ PHE 14 HZ PHE 14 -4.241 4.824 12.756
Start of MODEL 8
1 H MET 1 H MET 1 2.220 -0.039 0.313
2 HA MET 1 HA MET 1 2.367 -0.378 -2.609
3 HB2 MET 1 HB2 MET 1 3.964 1.460 -0.831
4 HB3 MET 1 HB3 MET 1 4.488 1.022 -2.452
5 HG2 MET 1 HG2 MET 1 1.776 2.189 -1.979
6 HG3 MET 1 HG3 MET 1 3.200 3.218 -2.106
7 HE1 MET 1 HE1 MET 1 3.932 4.149 -4.674
8 HE2 MET 1 HE2 MET 1 2.408 4.124 -5.561
9 HE3 MET 1 HE3 MET 1 2.425 4.541 -3.846
10 H GLU 2 H GLU 2 2.550 -2.316 -0.366
11 HA GLU 2 HA GLU 2 3.799 -4.107 0.280
12 HB2 GLU 2 HB2 GLU 2 5.283 -3.647 -2.310
13 HB3 GLU 2 HB3 GLU 2 5.171 -5.152 -1.410
14 HG2 GLU 2 HG2 GLU 2 2.755 -5.213 -1.846
15 HG3 GLU 2 HG3 GLU 2 2.906 -3.734 -2.794
16 H ASN 3 H ASN 3 4.635 -1.599 1.281
17 HA ASN 3 HA ASN 3 7.376 -2.266 1.966
18 HB2 ASN 3 HB2 ASN 3 6.595 0.208 0.464
19 HB3 ASN 3 HB3 ASN 3 7.930 0.272 1.610
20 HD21 ASN 3 HD21 ASN 3 6.819 -0.918 -1.432
21 HD22 ASN 3 HD22 ASN 3 8.337 -1.531 -1.987
22 H THR 4 H THR 4 8.180 -0.375 3.541
23 HA THR 4 HA THR 4 5.953 0.286 5.350
24 HB THR 4 HB THR 4 7.015 -1.579 6.387
25 HG1 THR 4 HG1 THR 4 8.013 -0.472 8.250
26 HG21 THR 4 HG21 THR 4 9.500 -0.261 5.446
27 HG22 THR 4 HG22 THR 4 9.078 -1.973 5.505
28 HG23 THR 4 HG23 THR 4 9.583 -1.137 6.974
29 H SER 5 H SER 5 6.304 2.321 4.001
30 HA SER 5 HA SER 5 7.883 4.156 5.585
31 HB2 SER 5 HB2 SER 5 9.092 5.097 3.653
32 HB3 SER 5 HB3 SER 5 9.527 3.410 3.924
33 HG SER 5 HG SER 5 8.797 4.366 1.686
34 H ILE 6 H ILE 6 6.153 3.933 2.473
35 HA ILE 6 HA ILE 6 5.001 6.557 2.843
36 HB ILE 6 HB ILE 6 4.322 4.533 0.711
37 HG12 ILE 6 HG12 ILE 6 6.414 6.719 0.661
38 HG13 ILE 6 HG13 ILE 6 6.744 4.992 0.742
39 HG21 ILE 6 HG21 ILE 6 3.248 7.054 1.360
40 HG22 ILE 6 HG22 ILE 6 4.195 7.265 -0.112
41 HG23 ILE 6 HG23 ILE 6 2.908 6.060 -0.057
42 HD11 ILE 6 HD11 ILE 6 5.750 4.683 -1.449
43 HD12 ILE 6 HD12 ILE 6 5.362 6.402 -1.528
44 HD13 ILE 6 HD13 ILE 6 7.046 5.877 -1.508
45 H THR 7 H THR 7 3.779 3.221 2.651
46 HA THR 7 HA THR 7 1.077 3.822 3.105
47 HB THR 7 HB THR 7 1.865 1.633 2.266
48 HG1 THR 7 HG1 THR 7 0.390 0.400 3.589
49 HG21 THR 7 HG21 THR 7 2.606 1.007 5.120
50 HG22 THR 7 HG22 THR 7 3.787 1.487 3.902
51 HG23 THR 7 HG23 THR 7 2.854 0.006 3.690
52 H ILE 8 H ILE 8 3.774 3.469 5.286
53 HA ILE 8 HA ILE 8 2.084 3.378 7.641
54 HB ILE 8 HB ILE 8 4.164 3.342 8.918
55 HG12 ILE 8 HG12 ILE 8 6.252 3.028 7.241
56 HG13 ILE 8 HG13 ILE 8 5.291 4.164 6.300
57 HG21 ILE 8 HG21 ILE 8 4.880 1.187 8.297
58 HG22 ILE 8 HG22 ILE 8 3.194 1.284 7.794
59 HG23 ILE 8 HG23 ILE 8 4.480 1.456 6.601
60 HD11 ILE 8 HD11 ILE 8 6.837 4.575 8.743
61 HD12 ILE 8 HD12 ILE 8 6.374 5.716 7.480
62 HD13 ILE 8 HD13 ILE 8 5.234 5.310 8.763
63 H GLU 9 H GLU 9 4.023 5.698 5.872
64 HA GLU 9 HA GLU 9 4.134 7.727 7.811
65 HB2 GLU 9 HB2 GLU 9 5.562 7.849 5.887
66 HB3 GLU 9 HB3 GLU 9 4.184 7.847 4.795
67 HG2 GLU 9 HG2 GLU 9 3.561 10.039 5.430
68 HG3 GLU 9 HG3 GLU 9 4.681 10.035 6.791
69 H PHE 10 H PHE 10 1.667 6.835 5.483
70 HA PHE 10 HA PHE 10 0.056 9.170 6.102
71 HB2 PHE 10 HB2 PHE 10 0.283 7.941 3.800
72 HB3 PHE 10 HB3 PHE 10 -0.928 6.854 4.474
73 HD1 PHE 10 HD1 PHE 10 -3.049 8.003 5.461
74 HD2 PHE 10 HD2 PHE 10 -0.397 9.834 2.681
75 HE1 PHE 10 HE1 PHE 10 -4.826 9.573 4.806
76 HE2 PHE 10 HE2 PHE 10 -2.169 11.408 2.022
77 HZ PHE 10 HZ PHE 10 -4.387 11.280 3.086
78 H SER 11 H SER 11 -0.136 5.648 6.502
79 HA SER 11 HA SER 11 -2.617 5.535 7.775
80 HB2 SER 11 HB2 SER 11 -1.486 3.534 6.943
81 HB3 SER 11 HB3 SER 11 -0.211 3.732 8.145
82 HG SER 11 HG SER 11 -1.549 2.347 9.113
83 H SER 12 H SER 12 0.497 6.492 8.959
84 HA SER 12 HA SER 12 -0.356 6.378 11.742
85 HB2 SER 12 HB2 SER 12 1.939 5.698 11.207
86 HB3 SER 12 HB3 SER 12 2.260 7.289 10.517
87 HG SER 12 HG SER 12 1.962 6.527 13.193
88 H LYS 13 H LYS 13 0.906 8.849 9.503
89 HA LYS 13 HA LYS 13 0.512 11.076 11.103
90 HB2 LYS 13 HB2 LYS 13 1.710 10.984 8.886
91 HB3 LYS 13 HB3 LYS 13 0.134 11.017 8.107
92 HG2 LYS 13 HG2 LYS 13 -0.204 13.210 8.564
93 HG3 LYS 13 HG3 LYS 13 0.696 13.147 10.081
94 HD2 LYS 13 HD2 LYS 13 2.207 12.760 7.551
95 HD3 LYS 13 HD3 LYS 13 1.641 14.388 7.934
96 HE2 LYS 13 HE2 LYS 13 3.716 14.378 8.933
97 HE3 LYS 13 HE3 LYS 13 2.681 13.891 10.274
98 HZ1 LYS 13 HZ1 LYS 13 3.334 11.665 10.049
99 HZ2 LYS 13 HZ2 LYS 13 4.769 12.550 9.918
100 HZ3 LYS 13 HZ3 LYS 13 4.035 11.920 8.530
101 H PHE 14 H PHE 14 -1.777 9.316 9.108
102 HA PHE 14 HA PHE 14 -3.937 10.917 10.292
103 HB2 PHE 14 HB2 PHE 14 -3.630 11.709 8.001
104 HB3 PHE 14 HB3 PHE 14 -3.754 10.060 7.396
105 HD1 PHE 14 HD1 PHE 14 -5.836 9.111 6.907
106 HD2 PHE 14 HD2 PHE 14 -5.636 12.739 9.124
107 HE1 PHE 14 HE1 PHE 14 -8.272 9.375 6.686
108 HE2 PHE 14 HE2 PHE 14 -8.072 13.009 8.907
109 HZ PHE 14 HZ PHE 14 -9.393 11.327 7.686
Start of MODEL 9
1 H MET 1 H MET 1 2.983 0.803 -0.048
2 HA MET 1 HA MET 1 3.389 0.373 -2.932
3 HB2 MET 1 HB2 MET 1 5.096 1.879 -0.972
4 HB3 MET 1 HB3 MET 1 5.806 1.156 -2.410
5 HG2 MET 1 HG2 MET 1 3.492 3.068 -2.506
6 HG3 MET 1 HG3 MET 1 5.176 3.580 -2.586
7 HE1 MET 1 HE1 MET 1 2.881 4.189 -4.797
8 HE2 MET 1 HE2 MET 1 4.527 4.814 -4.900
9 HE3 MET 1 HE3 MET 1 3.816 3.972 -6.277
10 H GLU 2 H GLU 2 2.799 -1.486 -0.698
11 HA GLU 2 HA GLU 2 3.455 -3.522 0.078
12 HB2 GLU 2 HB2 GLU 2 4.966 -3.300 -2.506
13 HB3 GLU 2 HB3 GLU 2 5.182 -4.702 -1.468
14 HG2 GLU 2 HG2 GLU 2 2.613 -4.874 -1.540
15 HG3 GLU 2 HG3 GLU 2 2.738 -3.807 -2.937
16 H ASN 3 H ASN 3 4.873 -1.133 1.007
17 HA ASN 3 HA ASN 3 7.197 -2.496 2.136
18 HB2 ASN 3 HB2 ASN 3 7.262 0.023 0.518
19 HB3 ASN 3 HB3 ASN 3 8.397 -0.171 1.851
20 HD21 ASN 3 HD21 ASN 3 7.296 -1.546 -1.181
21 HD22 ASN 3 HD22 ASN 3 8.755 -2.398 -1.540
22 H THR 4 H THR 4 8.242 -0.821 3.804
23 HA THR 4 HA THR 4 5.998 0.107 5.467
24 HB THR 4 HB THR 4 7.220 -1.585 6.621
25 HG1 THR 4 HG1 THR 4 7.181 -0.379 8.351
26 HG21 THR 4 HG21 THR 4 9.572 -0.187 5.485
27 HG22 THR 4 HG22 THR 4 9.289 -1.910 5.737
28 HG23 THR 4 HG23 THR 4 9.765 -0.887 7.092
29 H SER 5 H SER 5 6.169 2.041 3.944
30 HA SER 5 HA SER 5 7.674 4.102 5.320
31 HB2 SER 5 HB2 SER 5 8.756 4.964 3.313
32 HB3 SER 5 HB3 SER 5 9.244 3.290 3.577
33 HG SER 5 HG SER 5 8.708 3.377 1.466
34 H ILE 6 H ILE 6 5.715 3.449 2.417
35 HA ILE 6 HA ILE 6 4.450 6.040 2.575
36 HB ILE 6 HB ILE 6 3.705 3.714 0.800
37 HG12 ILE 6 HG12 ILE 6 6.071 4.342 0.504
38 HG13 ILE 6 HG13 ILE 6 5.108 4.754 -0.910
39 HG21 ILE 6 HG21 ILE 6 2.980 5.764 -0.642
40 HG22 ILE 6 HG22 ILE 6 1.935 5.179 0.652
41 HG23 ILE 6 HG23 ILE 6 2.949 6.599 0.911
42 HD11 ILE 6 HD11 ILE 6 6.771 6.476 -0.239
43 HD12 ILE 6 HD12 ILE 6 5.109 7.062 -0.321
44 HD13 ILE 6 HD13 ILE 6 5.847 6.717 1.243
45 H THR 7 H THR 7 3.406 2.657 2.933
46 HA THR 7 HA THR 7 0.735 3.198 3.600
47 HB THR 7 HB THR 7 1.605 0.951 2.957
48 HG1 THR 7 HG1 THR 7 0.309 0.882 5.489
49 HG21 THR 7 HG21 THR 7 2.534 0.750 5.819
50 HG22 THR 7 HG22 THR 7 3.618 1.079 4.467
51 HG23 THR 7 HG23 THR 7 2.727 -0.441 4.534
52 H ILE 8 H ILE 8 3.656 3.234 5.503
53 HA ILE 8 HA ILE 8 2.222 3.376 8.020
54 HB ILE 8 HB ILE 8 4.421 3.585 9.060
55 HG12 ILE 8 HG12 ILE 8 6.344 3.146 7.226
56 HG13 ILE 8 HG13 ILE 8 5.233 4.104 6.253
57 HG21 ILE 8 HG21 ILE 8 3.400 1.369 8.094
58 HG22 ILE 8 HG22 ILE 8 4.806 1.438 7.032
59 HG23 ILE 8 HG23 ILE 8 5.025 1.390 8.781
60 HD11 ILE 8 HD11 ILE 8 7.012 4.912 8.406
61 HD12 ILE 8 HD12 ILE 8 6.291 5.863 7.107
62 HD13 ILE 8 HD13 ILE 8 5.373 5.539 8.577
63 H GLU 9 H GLU 9 3.837 5.527 5.777
64 HA GLU 9 HA GLU 9 4.017 7.790 7.445
65 HB2 GLU 9 HB2 GLU 9 5.293 7.740 5.422
66 HB3 GLU 9 HB3 GLU 9 3.848 7.510 4.446
67 HG2 GLU 9 HG2 GLU 9 3.117 9.734 4.859
68 HG3 GLU 9 HG3 GLU 9 4.367 9.980 6.078
69 H PHE 10 H PHE 10 1.418 6.477 5.507
70 HA PHE 10 HA PHE 10 -0.253 8.818 5.897
71 HB2 PHE 10 HB2 PHE 10 -0.275 7.486 3.769
72 HB3 PHE 10 HB3 PHE 10 -1.004 6.160 4.669
73 HD1 PHE 10 HD1 PHE 10 -3.290 5.971 4.652
74 HD2 PHE 10 HD2 PHE 10 -1.533 9.797 4.032
75 HE1 PHE 10 HE1 PHE 10 -5.522 6.927 4.254
76 HE2 PHE 10 HE2 PHE 10 -3.761 10.760 3.633
77 HZ PHE 10 HZ PHE 10 -5.760 9.325 3.745
78 H SER 11 H SER 11 -0.253 5.399 6.863
79 HA SER 11 HA SER 11 -2.590 5.446 8.395
80 HB2 SER 11 HB2 SER 11 -0.121 3.723 8.488
81 HB3 SER 11 HB3 SER 11 -1.448 3.486 9.625
82 HG SER 11 HG SER 11 -1.263 2.577 7.162
83 H SER 12 H SER 12 0.610 6.593 9.080
84 HA SER 12 HA SER 12 0.084 6.866 11.927
85 HB2 SER 12 HB2 SER 12 2.343 6.204 11.039
86 HB3 SER 12 HB3 SER 12 2.494 7.828 10.371
87 HG SER 12 HG SER 12 2.687 6.961 12.986
88 H LYS 13 H LYS 13 0.964 9.043 9.243
89 HA LYS 13 HA LYS 13 0.635 11.455 10.568
90 HB2 LYS 13 HB2 LYS 13 1.630 11.220 8.319
91 HB3 LYS 13 HB3 LYS 13 0.037 10.871 7.661
92 HG2 LYS 13 HG2 LYS 13 0.185 13.084 7.167
93 HG3 LYS 13 HG3 LYS 13 -0.552 13.189 8.768
94 HD2 LYS 13 HD2 LYS 13 2.424 13.182 8.516
95 HD3 LYS 13 HD3 LYS 13 1.527 14.662 8.168
96 HE2 LYS 13 HE2 LYS 13 0.375 14.172 10.451
97 HE3 LYS 13 HE3 LYS 13 1.788 13.159 10.741
98 HZ1 LYS 13 HZ1 LYS 13 1.962 15.501 11.555
99 HZ2 LYS 13 HZ2 LYS 13 1.976 16.008 9.941
100 HZ3 LYS 13 HZ3 LYS 13 3.214 15.015 10.527
101 H PHE 14 H PHE 14 -1.768 9.478 8.886
102 HA PHE 14 HA PHE 14 -3.868 11.159 10.090
103 HB2 PHE 14 HB2 PHE 14 -3.546 11.157 7.493
104 HB3 PHE 14 HB3 PHE 14 -4.345 9.590 7.579
105 HD1 PHE 14 HD1 PHE 14 -6.670 9.416 8.288
106 HD2 PHE 14 HD2 PHE 14 -4.742 13.192 7.910
107 HE1 PHE 14 HE1 PHE 14 -8.860 10.534 8.329
108 HE2 PHE 14 HE2 PHE 14 -6.931 14.316 7.952
109 HZ PHE 14 HZ PHE 14 -8.993 12.987 8.160
Start of MODEL 10
1 H MET 1 H MET 1 1.765 -0.025 1.038
2 HA MET 1 HA MET 1 1.505 -0.141 -1.891
3 HB2 MET 1 HB2 MET 1 3.124 1.769 -0.224
4 HB3 MET 1 HB3 MET 1 3.576 1.402 -1.883
5 HG2 MET 1 HG2 MET 1 0.831 2.365 -1.162
6 HG3 MET 1 HG3 MET 1 2.164 3.474 -1.475
7 HE1 MET 1 HE1 MET 1 -0.722 3.110 -2.859
8 HE2 MET 1 HE2 MET 1 -0.680 2.464 -4.500
9 HE3 MET 1 HE3 MET 1 -0.677 1.366 -3.119
10 H GLU 2 H GLU 2 2.153 -2.170 0.175
11 HA GLU 2 HA GLU 2 3.610 -3.883 0.526
12 HB2 GLU 2 HB2 GLU 2 4.729 -3.187 -2.189
13 HB3 GLU 2 HB3 GLU 2 4.750 -4.753 -1.390
14 HG2 GLU 2 HG2 GLU 2 2.196 -4.623 -1.484
15 HG3 GLU 2 HG3 GLU 2 2.442 -3.324 -2.650
16 H ASN 3 H ASN 3 4.391 -1.303 1.490
17 HA ASN 3 HA ASN 3 7.270 -1.767 1.688
18 HB2 ASN 3 HB2 ASN 3 5.969 0.775 0.748
19 HB3 ASN 3 HB3 ASN 3 7.523 0.817 1.576
20 HD21 ASN 3 HD21 ASN 3 5.982 0.492 -1.363
21 HD22 ASN 3 HD22 ASN 3 7.314 -0.088 -2.298
22 H THR 4 H THR 4 8.114 0.088 3.330
23 HA THR 4 HA THR 4 6.200 0.269 5.553
24 HB THR 4 HB THR 4 7.626 -1.668 6.009
25 HG1 THR 4 HG1 THR 4 7.085 0.177 7.640
26 HG21 THR 4 HG21 THR 4 9.662 0.005 4.926
27 HG22 THR 4 HG22 THR 4 9.770 -1.688 5.408
28 HG23 THR 4 HG23 THR 4 10.108 -0.414 6.580
29 H SER 5 H SER 5 6.748 2.360 3.856
30 HA SER 5 HA SER 5 8.096 4.208 5.675
31 HB2 SER 5 HB2 SER 5 9.269 5.287 3.747
32 HB3 SER 5 HB3 SER 5 9.844 3.657 4.096
33 HG SER 5 HG SER 5 9.303 3.140 2.145
34 H ILE 6 H ILE 6 6.443 4.040 2.519
35 HA ILE 6 HA ILE 6 5.214 6.620 2.938
36 HB ILE 6 HB ILE 6 4.683 4.618 0.741
37 HG12 ILE 6 HG12 ILE 6 7.043 5.246 0.771
38 HG13 ILE 6 HG13 ILE 6 6.235 5.986 -0.607
39 HG21 ILE 6 HG21 ILE 6 4.320 7.307 -0.072
40 HG22 ILE 6 HG22 ILE 6 3.114 6.027 0.058
41 HG23 ILE 6 HG23 ILE 6 3.439 7.075 1.438
42 HD11 ILE 6 HD11 ILE 6 7.730 7.571 0.383
43 HD12 ILE 6 HD12 ILE 6 6.070 8.088 0.684
44 HD13 ILE 6 HD13 ILE 6 7.004 7.327 1.972
45 H THR 7 H THR 7 4.038 3.279 2.545
46 HA THR 7 HA THR 7 1.332 3.798 3.002
47 HB THR 7 HB THR 7 2.258 1.647 2.120
48 HG1 THR 7 HG1 THR 7 0.324 1.864 4.126
49 HG21 THR 7 HG21 THR 7 2.793 1.019 5.024
50 HG22 THR 7 HG22 THR 7 4.045 1.422 3.848
51 HG23 THR 7 HG23 THR 7 3.071 -0.033 3.637
52 H ILE 8 H ILE 8 3.994 3.409 5.225
53 HA ILE 8 HA ILE 8 2.263 3.213 7.541
54 HB ILE 8 HB ILE 8 4.320 3.177 8.856
55 HG12 ILE 8 HG12 ILE 8 6.435 2.950 7.181
56 HG13 ILE 8 HG13 ILE 8 5.470 4.129 6.300
57 HG21 ILE 8 HG21 ILE 8 4.976 1.039 8.268
58 HG22 ILE 8 HG22 ILE 8 3.389 1.164 7.510
59 HG23 ILE 8 HG23 ILE 8 4.847 1.364 6.539
60 HD11 ILE 8 HD11 ILE 8 5.516 4.918 9.014
61 HD12 ILE 8 HD12 ILE 8 7.168 4.532 8.530
62 HD13 ILE 8 HD13 ILE 8 6.236 5.721 7.619
63 H GLU 9 H GLU 9 4.191 5.629 5.890
64 HA GLU 9 HA GLU 9 4.181 7.592 7.916
65 HB2 GLU 9 HB2 GLU 9 5.730 7.812 6.108
66 HB3 GLU 9 HB3 GLU 9 4.438 7.790 4.916
67 HG2 GLU 9 HG2 GLU 9 3.650 9.944 5.677
68 HG3 GLU 9 HG3 GLU 9 4.863 9.961 6.956
69 H PHE 10 H PHE 10 1.860 6.705 5.452
70 HA PHE 10 HA PHE 10 0.194 9.022 5.974
71 HB2 PHE 10 HB2 PHE 10 0.331 8.205 3.686
72 HB3 PHE 10 HB3 PHE 10 -0.228 6.614 4.193
73 HD1 PHE 10 HD1 PHE 10 -2.555 6.237 4.772
74 HD2 PHE 10 HD2 PHE 10 -1.195 10.051 3.459
75 HE1 PHE 10 HE1 PHE 10 -4.883 6.927 4.375
76 HE2 PHE 10 HE2 PHE 10 -3.521 10.747 3.061
77 HZ PHE 10 HZ PHE 10 -5.369 9.185 3.520
78 H SER 11 H SER 11 -0.031 5.496 6.368
79 HA SER 11 HA SER 11 -2.550 5.424 7.578
80 HB2 SER 11 HB2 SER 11 -1.069 3.483 6.707
81 HB3 SER 11 HB3 SER 11 -0.358 3.499 8.321
82 HG SER 11 HG SER 11 -2.808 2.596 7.490
83 H SER 12 H SER 12 0.560 6.288 8.839
84 HA SER 12 HA SER 12 -0.298 6.102 11.606
85 HB2 SER 12 HB2 SER 12 2.019 5.532 11.048
86 HB3 SER 12 HB3 SER 12 2.275 7.152 10.401
87 HG SER 12 HG SER 12 2.798 7.672 12.359
88 H LYS 13 H LYS 13 0.797 8.682 9.406
89 HA LYS 13 HA LYS 13 0.334 10.843 11.095
90 HB2 LYS 13 HB2 LYS 13 0.443 10.515 8.123
91 HB3 LYS 13 HB3 LYS 13 -0.078 12.054 8.796
92 HG2 LYS 13 HG2 LYS 13 2.091 11.918 10.189
93 HG3 LYS 13 HG3 LYS 13 2.586 10.712 8.999
94 HD2 LYS 13 HD2 LYS 13 1.503 13.330 8.061
95 HD3 LYS 13 HD3 LYS 13 3.163 13.247 8.654
96 HE2 LYS 13 HE2 LYS 13 3.856 11.908 6.926
97 HE3 LYS 13 HE3 LYS 13 2.255 11.215 6.678
98 HZ1 LYS 13 HZ1 LYS 13 3.335 13.047 5.079
99 HZ2 LYS 13 HZ2 LYS 13 2.490 14.056 6.142
100 HZ3 LYS 13 HZ3 LYS 13 1.666 12.855 5.281
101 H PHE 14 H PHE 14 -1.832 9.434 8.645
102 HA PHE 14 HA PHE 14 -4.116 10.406 10.193
103 HB2 PHE 14 HB2 PHE 14 -3.334 11.320 7.510
104 HB3 PHE 14 HB3 PHE 14 -5.014 10.810 7.639
105 HD1 PHE 14 HD1 PHE 14 -6.593 12.049 8.958
106 HD2 PHE 14 HD2 PHE 14 -2.505 13.221 8.778
107 HE1 PHE 14 HE1 PHE 14 -7.175 14.220 9.957
108 HE2 PHE 14 HE2 PHE 14 -3.081 15.395 9.778
109 HZ PHE 14 HZ PHE 14 -5.419 15.897 10.367
Start of MODEL 11
1 H MET 1 H MET 1 1.998 -0.035 0.714
2 HA MET 1 HA MET 1 1.828 -0.304 -2.215
3 HB2 MET 1 HB2 MET 1 3.352 1.663 -0.547
4 HB3 MET 1 HB3 MET 1 3.979 1.183 -2.118
5 HG2 MET 1 HG2 MET 1 2.783 3.009 -2.731
6 HG3 MET 1 HG3 MET 1 1.534 1.777 -2.892
7 HE1 MET 1 HE1 MET 1 1.137 5.374 -1.969
8 HE2 MET 1 HE2 MET 1 0.487 4.173 -3.085
9 HE3 MET 1 HE3 MET 1 -0.499 4.756 -1.743
10 H GLU 2 H GLU 2 2.380 -2.274 -0.057
11 HA GLU 2 HA GLU 2 3.758 -4.042 0.326
12 HB2 GLU 2 HB2 GLU 2 5.115 -3.309 -2.267
13 HB3 GLU 2 HB3 GLU 2 5.051 -4.890 -1.501
14 HG2 GLU 2 HG2 GLU 2 2.665 -5.022 -1.919
15 HG3 GLU 2 HG3 GLU 2 2.687 -3.412 -2.636
16 H ASN 3 H ASN 3 4.514 -1.312 1.190
17 HA ASN 3 HA ASN 3 7.344 -1.879 1.721
18 HB2 ASN 3 HB2 ASN 3 6.171 0.655 0.620
19 HB3 ASN 3 HB3 ASN 3 7.619 0.715 1.620
20 HD21 ASN 3 HD21 ASN 3 6.404 0.279 -1.470
21 HD22 ASN 3 HD22 ASN 3 7.844 -0.294 -2.235
22 H THR 4 H THR 4 8.094 -0.095 3.440
23 HA THR 4 HA THR 4 5.986 0.175 5.472
24 HB THR 4 HB THR 4 7.288 -1.797 6.078
25 HG1 THR 4 HG1 THR 4 8.183 -0.819 8.139
26 HG21 THR 4 HG21 THR 4 9.402 -1.715 5.233
27 HG22 THR 4 HG22 THR 4 9.751 -1.107 6.852
28 HG23 THR 4 HG23 THR 4 9.562 0.019 5.508
29 H SER 5 H SER 5 6.673 2.261 3.878
30 HA SER 5 HA SER 5 7.961 4.058 5.787
31 HB2 SER 5 HB2 SER 5 9.318 5.107 4.001
32 HB3 SER 5 HB3 SER 5 9.769 3.424 4.272
33 HG SER 5 HG SER 5 9.585 3.761 2.072
34 H ILE 6 H ILE 6 6.480 3.934 2.546
35 HA ILE 6 HA ILE 6 5.322 6.555 2.872
36 HB ILE 6 HB ILE 6 4.749 4.541 0.699
37 HG12 ILE 6 HG12 ILE 6 7.164 4.999 0.854
38 HG13 ILE 6 HG13 ILE 6 6.473 5.680 -0.615
39 HG21 ILE 6 HG21 ILE 6 3.163 6.095 0.294
40 HG22 ILE 6 HG22 ILE 6 4.009 7.350 1.196
41 HG23 ILE 6 HG23 ILE 6 4.507 6.961 -0.450
42 HD11 ILE 6 HD11 ILE 6 8.015 7.246 0.321
43 HD12 ILE 6 HD12 ILE 6 6.381 7.880 0.520
44 HD13 ILE 6 HD13 ILE 6 7.220 7.159 1.893
45 H THR 7 H THR 7 4.052 3.244 2.547
46 HA THR 7 HA THR 7 1.345 3.891 2.893
47 HB THR 7 HB THR 7 2.119 1.709 2.030
48 HG1 THR 7 HG1 THR 7 0.615 1.223 4.380
49 HG21 THR 7 HG21 THR 7 2.826 1.113 4.906
50 HG22 THR 7 HG22 THR 7 3.991 1.390 3.611
51 HG23 THR 7 HG23 THR 7 2.919 -0.008 3.549
52 H ILE 8 H ILE 8 3.915 3.311 5.202
53 HA ILE 8 HA ILE 8 2.127 3.210 7.466
54 HB ILE 8 HB ILE 8 4.140 3.118 8.834
55 HG12 ILE 8 HG12 ILE 8 6.313 2.887 7.252
56 HG13 ILE 8 HG13 ILE 8 5.393 4.062 6.318
57 HG21 ILE 8 HG21 ILE 8 4.906 0.996 8.154
58 HG22 ILE 8 HG22 ILE 8 3.244 1.106 7.578
59 HG23 ILE 8 HG23 ILE 8 4.583 1.337 6.455
60 HD11 ILE 8 HD11 ILE 8 6.309 5.602 7.623
61 HD12 ILE 8 HD12 ILE 8 5.239 5.018 8.898
62 HD13 ILE 8 HD13 ILE 8 6.884 4.396 8.774
63 H GLU 9 H GLU 9 4.131 5.586 5.853
64 HA GLU 9 HA GLU 9 4.128 7.551 7.875
65 HB2 GLU 9 HB2 GLU 9 5.702 7.743 6.087
66 HB3 GLU 9 HB3 GLU 9 4.425 7.741 4.879
67 HG2 GLU 9 HG2 GLU 9 3.677 9.910 5.586
68 HG3 GLU 9 HG3 GLU 9 4.819 9.907 6.929
69 H PHE 10 H PHE 10 1.819 6.700 5.388
70 HA PHE 10 HA PHE 10 0.193 9.050 5.869
71 HB2 PHE 10 HB2 PHE 10 0.517 7.764 3.621
72 HB3 PHE 10 HB3 PHE 10 -0.710 6.680 4.267
73 HD1 PHE 10 HD1 PHE 10 -2.997 7.342 4.414
74 HD2 PHE 10 HD2 PHE 10 -0.023 10.105 3.135
75 HE1 PHE 10 HE1 PHE 10 -4.759 8.872 3.636
76 HE2 PHE 10 HE2 PHE 10 -1.780 11.641 2.356
77 HZ PHE 10 HZ PHE 10 -4.152 11.025 2.605
78 H SER 11 H SER 11 0.139 5.605 6.595
79 HA SER 11 HA SER 11 -2.472 5.545 7.694
80 HB2 SER 11 HB2 SER 11 -0.136 3.723 7.612
81 HB3 SER 11 HB3 SER 11 -1.272 3.467 8.936
82 HG SER 11 HG SER 11 -1.611 3.113 6.202
83 H SER 12 H SER 12 0.622 6.488 8.938
84 HA SER 12 HA SER 12 -0.271 6.435 11.702
85 HB2 SER 12 HB2 SER 12 1.932 6.721 12.296
86 HB3 SER 12 HB3 SER 12 2.158 6.006 10.700
87 HG SER 12 HG SER 12 2.538 8.639 11.549
88 H LYS 13 H LYS 13 0.587 8.821 9.231
89 HA LYS 13 HA LYS 13 0.378 11.142 10.732
90 HB2 LYS 13 HB2 LYS 13 1.208 11.095 8.425
91 HB3 LYS 13 HB3 LYS 13 -0.408 10.716 7.842
92 HG2 LYS 13 HG2 LYS 13 -1.204 12.846 8.266
93 HG3 LYS 13 HG3 LYS 13 0.072 13.200 9.433
94 HD2 LYS 13 HD2 LYS 13 0.603 14.450 7.502
95 HD3 LYS 13 HD3 LYS 13 1.694 13.063 7.488
96 HE2 LYS 13 HE2 LYS 13 0.963 13.094 5.304
97 HE3 LYS 13 HE3 LYS 13 -0.177 11.967 6.038
98 HZ1 LYS 13 HZ1 LYS 13 -1.598 14.067 6.388
99 HZ2 LYS 13 HZ2 LYS 13 -1.534 13.379 4.844
100 HZ3 LYS 13 HZ3 LYS 13 -0.616 14.756 5.195
101 H PHE 14 H PHE 14 -2.169 9.370 9.009
102 HA PHE 14 HA PHE 14 -4.144 10.675 10.736
103 HB2 PHE 14 HB2 PHE 14 -4.273 11.948 8.702
104 HB3 PHE 14 HB3 PHE 14 -4.293 10.484 7.725
105 HD1 PHE 14 HD1 PHE 14 -6.318 10.368 6.644
106 HD2 PHE 14 HD2 PHE 14 -6.227 11.475 10.753
107 HE1 PHE 14 HE1 PHE 14 -8.778 10.367 6.696
108 HE2 PHE 14 HE2 PHE 14 -8.686 11.475 10.811
109 HZ PHE 14 HZ PHE 14 -9.966 10.920 8.782
Start of MODEL 12
1 H MET 1 H MET 1 1.431 0.689 -0.486
2 HA MET 1 HA MET 1 2.579 0.467 -2.455
3 HB2 MET 1 HB2 MET 1 3.889 2.559 -1.334
4 HB3 MET 1 HB3 MET 1 5.188 1.376 -1.408
5 HG2 MET 1 HG2 MET 1 4.174 1.133 -3.892
6 HG3 MET 1 HG3 MET 1 3.818 2.827 -3.565
7 HE1 MET 1 HE1 MET 1 6.636 1.264 -5.700
8 HE2 MET 1 HE2 MET 1 5.170 2.236 -5.830
9 HE3 MET 1 HE3 MET 1 6.753 3.012 -5.904
10 H GLU 2 H GLU 2 2.516 -1.448 -0.197
11 HA GLU 2 HA GLU 2 3.292 -3.534 0.271
12 HB2 GLU 2 HB2 GLU 2 4.998 -3.317 -2.205
13 HB3 GLU 2 HB3 GLU 2 4.379 -4.776 -1.444
14 HG2 GLU 2 HG2 GLU 2 2.055 -3.802 -1.982
15 HG3 GLU 2 HG3 GLU 2 2.928 -2.755 -3.100
16 H ASN 3 H ASN 3 4.729 -1.086 1.138
17 HA ASN 3 HA ASN 3 7.193 -2.419 1.980
18 HB2 ASN 3 HB2 ASN 3 7.009 0.200 0.526
19 HB3 ASN 3 HB3 ASN 3 8.307 -0.073 1.685
20 HD21 ASN 3 HD21 ASN 3 7.070 -0.779 -1.431
21 HD22 ASN 3 HD22 ASN 3 8.388 -1.752 -1.979
22 H THR 4 H THR 4 8.347 -0.720 3.587
23 HA THR 4 HA THR 4 6.247 0.081 5.492
24 HB THR 4 HB THR 4 7.510 -1.689 6.465
25 HG1 THR 4 HG1 THR 4 7.200 -0.166 8.017
26 HG21 THR 4 HG21 THR 4 9.727 -0.424 5.065
27 HG22 THR 4 HG22 THR 4 9.542 -2.090 5.614
28 HG23 THR 4 HG23 THR 4 10.131 -0.855 6.726
29 H SER 5 H SER 5 6.332 2.096 4.084
30 HA SER 5 HA SER 5 7.878 4.083 5.477
31 HB2 SER 5 HB2 SER 5 9.630 3.867 4.020
32 HB3 SER 5 HB3 SER 5 8.621 3.190 2.741
33 HG SER 5 HG SER 5 8.209 5.142 2.015
34 H ILE 6 H ILE 6 6.014 3.525 2.492
35 HA ILE 6 HA ILE 6 4.770 6.125 2.676
36 HB ILE 6 HB ILE 6 4.195 3.832 0.795
37 HG12 ILE 6 HG12 ILE 6 5.756 6.373 0.294
38 HG13 ILE 6 HG13 ILE 6 6.499 4.821 0.663
39 HG21 ILE 6 HG21 ILE 6 3.282 5.880 -0.561
40 HG22 ILE 6 HG22 ILE 6 2.278 5.085 0.650
41 HG23 ILE 6 HG23 ILE 6 3.103 6.594 1.041
42 HD11 ILE 6 HD11 ILE 6 4.598 4.708 -1.543
43 HD12 ILE 6 HD12 ILE 6 5.971 5.776 -1.834
44 HD13 ILE 6 HD13 ILE 6 6.243 4.083 -1.422
45 H THR 7 H THR 7 3.609 2.756 2.771
46 HA THR 7 HA THR 7 0.948 3.301 3.389
47 HB THR 7 HB THR 7 1.800 1.066 2.716
48 HG1 THR 7 HG1 THR 7 0.023 0.337 3.594
49 HG21 THR 7 HG21 THR 7 2.706 0.832 5.587
50 HG22 THR 7 HG22 THR 7 3.789 1.079 4.217
51 HG23 THR 7 HG23 THR 7 2.830 -0.397 4.329
52 H ILE 8 H ILE 8 3.780 3.185 5.437
53 HA ILE 8 HA ILE 8 2.241 3.283 7.885
54 HB ILE 8 HB ILE 8 4.412 3.480 9.015
55 HG12 ILE 8 HG12 ILE 8 6.337 2.973 7.140
56 HG13 ILE 8 HG13 ILE 8 5.290 4.092 6.273
57 HG21 ILE 8 HG21 ILE 8 4.835 1.329 7.003
58 HG22 ILE 8 HG22 ILE 8 4.969 1.275 8.760
59 HG23 ILE 8 HG23 ILE 8 3.379 1.284 7.998
60 HD11 ILE 8 HD11 ILE 8 6.577 5.640 7.251
61 HD12 ILE 8 HD12 ILE 8 5.524 5.364 8.639
62 HD13 ILE 8 HD13 ILE 8 7.088 4.553 8.542
63 H GLU 9 H GLU 9 4.012 5.498 5.815
64 HA GLU 9 HA GLU 9 4.081 7.702 7.569
65 HB2 GLU 9 HB2 GLU 9 5.503 7.713 5.647
66 HB3 GLU 9 HB3 GLU 9 4.135 7.522 4.558
67 HG2 GLU 9 HG2 GLU 9 3.538 9.717 4.692
68 HG3 GLU 9 HG3 GLU 9 4.203 9.915 6.312
69 H PHE 10 H PHE 10 1.639 6.508 5.356
70 HA PHE 10 HA PHE 10 -0.040 8.839 5.663
71 HB2 PHE 10 HB2 PHE 10 0.126 7.285 3.598
72 HB3 PHE 10 HB3 PHE 10 -0.937 6.213 4.504
73 HD1 PHE 10 HD1 PHE 10 -3.245 6.592 4.585
74 HD2 PHE 10 HD2 PHE 10 -0.657 9.626 3.099
75 HE1 PHE 10 HE1 PHE 10 -5.197 7.872 3.810
76 HE2 PHE 10 HE2 PHE 10 -2.605 10.912 2.322
77 HZ PHE 10 HZ PHE 10 -4.879 10.036 2.677
78 H SER 11 H SER 11 -0.083 5.458 6.735
79 HA SER 11 HA SER 11 -2.525 5.605 8.139
80 HB2 SER 11 HB2 SER 11 -0.228 3.718 8.043
81 HB3 SER 11 HB3 SER 11 -1.288 3.619 9.448
82 HG SER 11 HG SER 11 -1.704 2.643 7.026
83 H SER 12 H SER 12 0.705 6.575 8.933
84 HA SER 12 HA SER 12 0.220 6.756 11.771
85 HB2 SER 12 HB2 SER 12 2.461 7.611 11.931
86 HB3 SER 12 HB3 SER 12 2.481 6.290 10.764
87 HG SER 12 HG SER 12 2.491 7.811 9.103
88 H LYS 13 H LYS 13 0.677 9.069 9.109
89 HA LYS 13 HA LYS 13 0.371 11.424 10.546
90 HB2 LYS 13 HB2 LYS 13 1.039 11.133 8.104
91 HB3 LYS 13 HB3 LYS 13 -0.680 11.018 7.748
92 HG2 LYS 13 HG2 LYS 13 -0.292 13.239 7.360
93 HG3 LYS 13 HG3 LYS 13 -0.806 13.279 9.048
94 HD2 LYS 13 HD2 LYS 13 1.085 14.586 9.134
95 HD3 LYS 13 HD3 LYS 13 1.759 12.999 9.515
96 HE2 LYS 13 HE2 LYS 13 2.019 12.889 6.883
97 HE3 LYS 13 HE3 LYS 13 2.022 14.643 7.051
98 HZ1 LYS 13 HZ1 LYS 13 3.722 13.682 9.003
99 HZ2 LYS 13 HZ2 LYS 13 4.153 14.491 7.582
100 HZ3 LYS 13 HZ3 LYS 13 4.096 12.800 7.609
101 H PHE 14 H PHE 14 -2.116 9.457 8.942
102 HA PHE 14 HA PHE 14 -4.088 10.403 10.843
103 HB2 PHE 14 HB2 PHE 14 -4.101 11.158 7.955
104 HB3 PHE 14 HB3 PHE 14 -5.641 10.801 8.730
105 HD1 PHE 14 HD1 PHE 14 -5.880 11.986 11.132
106 HD2 PHE 14 HD2 PHE 14 -3.453 13.348 7.912
107 HE1 PHE 14 HE1 PHE 14 -5.945 14.266 12.052
108 HE2 PHE 14 HE2 PHE 14 -3.514 15.631 8.828
109 HZ PHE 14 HZ PHE 14 -4.762 16.093 10.900
Start of MODEL 13
1 H MET 1 H MET 1 2.051 0.099 0.360
2 HA MET 1 HA MET 1 1.949 -0.613 -2.488
3 HB2 MET 1 HB2 MET 1 3.867 1.359 -1.234
4 HB3 MET 1 HB3 MET 1 3.946 0.784 -2.894
5 HG2 MET 1 HG2 MET 1 1.518 1.695 -3.043
6 HG3 MET 1 HG3 MET 1 1.980 2.629 -1.622
7 HE1 MET 1 HE1 MET 1 1.008 3.043 -4.542
8 HE2 MET 1 HE2 MET 1 1.671 4.640 -4.889
9 HE3 MET 1 HE3 MET 1 2.262 3.229 -5.768
10 H GLU 2 H GLU 2 2.254 -2.242 -0.093
11 HA GLU 2 HA GLU 2 3.523 -3.949 0.716
12 HB2 GLU 2 HB2 GLU 2 4.943 -3.762 -1.945
13 HB3 GLU 2 HB3 GLU 2 4.891 -5.158 -0.877
14 HG2 GLU 2 HG2 GLU 2 2.449 -3.959 -2.154
15 HG3 GLU 2 HG3 GLU 2 3.386 -5.268 -2.873
16 H ASN 3 H ASN 3 4.428 -1.156 1.097
17 HA ASN 3 HA ASN 3 7.279 -1.703 1.602
18 HB2 ASN 3 HB2 ASN 3 5.906 0.740 0.569
19 HB3 ASN 3 HB3 ASN 3 7.330 0.947 1.584
20 HD21 ASN 3 HD21 ASN 3 6.186 0.340 -1.516
21 HD22 ASN 3 HD22 ASN 3 7.689 -0.068 -2.265
22 H THR 4 H THR 4 8.057 0.085 3.310
23 HA THR 4 HA THR 4 6.087 0.218 5.486
24 HB THR 4 HB THR 4 7.503 -1.734 5.928
25 HG1 THR 4 HG1 THR 4 6.854 -0.631 7.759
26 HG21 THR 4 HG21 THR 4 9.747 -1.766 5.734
27 HG22 THR 4 HG22 THR 4 9.929 -0.172 6.465
28 HG23 THR 4 HG23 THR 4 9.517 -0.316 4.757
29 H SER 5 H SER 5 6.709 2.339 3.835
30 HA SER 5 HA SER 5 7.989 4.148 5.740
31 HB2 SER 5 HB2 SER 5 9.865 4.037 4.437
32 HB3 SER 5 HB3 SER 5 8.969 3.529 3.005
33 HG SER 5 HG SER 5 9.133 6.148 4.085
34 H ILE 6 H ILE 6 6.422 4.003 2.542
35 HA ILE 6 HA ILE 6 5.225 6.604 2.910
36 HB ILE 6 HB ILE 6 4.779 4.559 0.731
37 HG12 ILE 6 HG12 ILE 6 7.097 5.390 0.836
38 HG13 ILE 6 HG13 ILE 6 6.271 5.960 -0.610
39 HG21 ILE 6 HG21 ILE 6 3.962 7.453 0.935
40 HG22 ILE 6 HG22 ILE 6 3.861 6.482 -0.533
41 HG23 ILE 6 HG23 ILE 6 2.896 6.049 0.878
42 HD11 ILE 6 HD11 ILE 6 7.602 7.468 1.372
43 HD12 ILE 6 HD12 ILE 6 6.772 8.041 -0.075
44 HD13 ILE 6 HD13 ILE 6 5.889 7.879 1.443
45 H THR 7 H THR 7 4.038 3.260 2.632
46 HA THR 7 HA THR 7 1.319 3.847 3.030
47 HB THR 7 HB THR 7 2.168 1.682 2.144
48 HG1 THR 7 HG1 THR 7 0.042 2.073 3.368
49 HG21 THR 7 HG21 THR 7 3.049 0.003 3.587
50 HG22 THR 7 HG22 THR 7 2.740 0.982 5.021
51 HG23 THR 7 HG23 THR 7 3.989 1.465 3.875
52 H ILE 8 H ILE 8 3.964 3.392 5.263
53 HA ILE 8 HA ILE 8 2.230 3.219 7.574
54 HB ILE 8 HB ILE 8 4.275 3.156 8.894
55 HG12 ILE 8 HG12 ILE 8 6.418 2.975 7.271
56 HG13 ILE 8 HG13 ILE 8 5.456 4.126 6.349
57 HG21 ILE 8 HG21 ILE 8 4.850 1.385 6.558
58 HG22 ILE 8 HG22 ILE 8 4.934 1.031 8.283
59 HG23 ILE 8 HG23 ILE 8 3.367 1.166 7.487
60 HD11 ILE 8 HD11 ILE 8 6.504 5.633 7.628
61 HD12 ILE 8 HD12 ILE 8 5.284 5.193 8.823
62 HD13 ILE 8 HD13 ILE 8 6.885 4.457 8.886
63 H GLU 9 H GLU 9 4.146 5.633 5.914
64 HA GLU 9 HA GLU 9 4.124 7.593 7.954
65 HB2 GLU 9 HB2 GLU 9 5.722 7.813 6.196
66 HB3 GLU 9 HB3 GLU 9 4.468 7.776 4.964
67 HG2 GLU 9 HG2 GLU 9 5.293 10.018 5.221
68 HG3 GLU 9 HG3 GLU 9 3.624 9.932 5.781
69 H PHE 10 H PHE 10 1.846 6.693 5.466
70 HA PHE 10 HA PHE 10 0.199 9.038 5.874
71 HB2 PHE 10 HB2 PHE 10 0.187 6.706 4.035
72 HB3 PHE 10 HB3 PHE 10 -1.371 7.447 4.386
73 HD1 PHE 10 HD1 PHE 10 -2.036 8.772 2.639
74 HD2 PHE 10 HD2 PHE 10 2.052 8.822 3.823
75 HE1 PHE 10 HE1 PHE 10 -1.578 10.522 0.972
76 HE2 PHE 10 HE2 PHE 10 2.517 10.573 2.158
77 HZ PHE 10 HZ PHE 10 0.701 11.425 0.729
78 H SER 11 H SER 11 -0.086 5.540 6.449
79 HA SER 11 HA SER 11 -2.606 5.585 7.666
80 HB2 SER 11 HB2 SER 11 -1.819 3.462 7.022
81 HB3 SER 11 HB3 SER 11 -0.275 3.687 7.844
82 HG SER 11 HG SER 11 -2.780 3.010 8.899
83 H SER 12 H SER 12 0.570 6.302 8.912
84 HA SER 12 HA SER 12 -0.268 6.275 11.674
85 HB2 SER 12 HB2 SER 12 2.288 7.135 10.310
86 HB3 SER 12 HB3 SER 12 2.037 7.264 12.050
87 HG SER 12 HG SER 12 2.996 5.223 10.915
88 H LYS 13 H LYS 13 0.735 8.770 9.341
89 HA LYS 13 HA LYS 13 0.376 11.004 10.948
90 HB2 LYS 13 HB2 LYS 13 0.315 10.515 8.006
91 HB3 LYS 13 HB3 LYS 13 -0.257 12.069 8.598
92 HG2 LYS 13 HG2 LYS 13 2.379 11.044 9.533
93 HG3 LYS 13 HG3 LYS 13 2.241 11.734 7.914
94 HD2 LYS 13 HD2 LYS 13 1.137 13.210 10.270
95 HD3 LYS 13 HD3 LYS 13 2.868 13.265 9.926
96 HE2 LYS 13 HE2 LYS 13 2.165 13.905 7.540
97 HE3 LYS 13 HE3 LYS 13 0.580 14.231 8.240
98 HZ1 LYS 13 HZ1 LYS 13 1.396 16.244 8.665
99 HZ2 LYS 13 HZ2 LYS 13 2.997 15.769 8.399
100 HZ3 LYS 13 HZ3 LYS 13 2.282 15.520 9.911
101 H PHE 14 H PHE 14 -1.970 9.436 8.781
102 HA PHE 14 HA PHE 14 -4.107 10.890 10.196
103 HB2 PHE 14 HB2 PHE 14 -4.022 11.584 7.881
104 HB3 PHE 14 HB3 PHE 14 -4.017 9.910 7.338
105 HD1 PHE 14 HD1 PHE 14 -5.984 9.187 6.430
106 HD2 PHE 14 HD2 PHE 14 -6.106 12.040 9.587
107 HE1 PHE 14 HE1 PHE 14 -8.441 9.222 6.300
108 HE2 PHE 14 HE2 PHE 14 -8.562 12.079 9.462
109 HZ PHE 14 HZ PHE 14 -9.733 10.668 7.818
Start of MODEL 14
1 H MET 1 H MET 1 1.560 0.487 0.632
2 HA MET 1 HA MET 1 1.029 -0.559 -2.068
3 HB2 MET 1 HB2 MET 1 2.892 1.666 -1.254
4 HB3 MET 1 HB3 MET 1 3.071 0.802 -2.776
5 HG2 MET 1 HG2 MET 1 0.815 1.485 -3.425
6 HG3 MET 1 HG3 MET 1 0.649 2.361 -1.905
7 HE1 MET 1 HE1 MET 1 2.484 1.799 -5.053
8 HE2 MET 1 HE2 MET 1 1.632 3.186 -5.730
9 HE3 MET 1 HE3 MET 1 3.367 3.280 -5.424
10 H GLU 2 H GLU 2 1.794 -1.894 0.443
11 HA GLU 2 HA GLU 2 3.213 -3.514 1.177
12 HB2 GLU 2 HB2 GLU 2 4.174 -3.582 -1.687
13 HB3 GLU 2 HB3 GLU 2 4.338 -4.861 -0.492
14 HG2 GLU 2 HG2 GLU 2 1.692 -3.831 -1.476
15 HG3 GLU 2 HG3 GLU 2 2.535 -5.208 -2.183
16 H ASN 3 H ASN 3 4.116 -1.135 1.891
17 HA ASN 3 HA ASN 3 7.021 -1.371 1.535
18 HB2 ASN 3 HB2 ASN 3 5.351 1.122 1.257
19 HB3 ASN 3 HB3 ASN 3 7.067 1.195 1.649
20 HD21 ASN 3 HD21 ASN 3 4.829 1.146 -0.802
21 HD22 ASN 3 HD22 ASN 3 5.879 0.764 -2.121
22 H THR 4 H THR 4 7.995 0.438 3.188
23 HA THR 4 HA THR 4 6.580 0.208 5.746
24 HB THR 4 HB THR 4 8.208 -1.671 5.600
25 HG1 THR 4 HG1 THR 4 8.042 -1.249 7.678
26 HG21 THR 4 HG21 THR 4 10.598 -0.187 6.100
27 HG22 THR 4 HG22 THR 4 9.902 0.347 4.570
28 HG23 THR 4 HG23 THR 4 10.272 -1.358 4.824
29 H SER 5 H SER 5 6.959 2.445 3.974
30 HA SER 5 HA SER 5 8.218 4.265 5.864
31 HB2 SER 5 HB2 SER 5 9.135 3.890 3.020
32 HB3 SER 5 HB3 SER 5 9.367 5.422 3.862
33 HG SER 5 HG SER 5 10.932 3.362 3.973
34 H ILE 6 H ILE 6 6.732 4.104 2.628
35 HA ILE 6 HA ILE 6 5.453 6.667 2.994
36 HB ILE 6 HB ILE 6 5.028 4.664 0.776
37 HG12 ILE 6 HG12 ILE 6 6.918 7.025 0.890
38 HG13 ILE 6 HG13 ILE 6 7.399 5.334 0.981
39 HG21 ILE 6 HG21 ILE 6 3.285 6.410 1.055
40 HG22 ILE 6 HG22 ILE 6 4.531 7.636 0.823
41 HG23 ILE 6 HG23 ILE 6 4.145 6.512 -0.481
42 HD11 ILE 6 HD11 ILE 6 7.807 5.930 -1.225
43 HD12 ILE 6 HD12 ILE 6 6.255 5.094 -1.296
44 HD13 ILE 6 HD13 ILE 6 6.311 6.855 -1.352
45 H THR 7 H THR 7 4.355 3.304 2.597
46 HA THR 7 HA THR 7 1.616 3.799 2.927
47 HB THR 7 HB THR 7 2.577 1.666 2.061
48 HG1 THR 7 HG1 THR 7 0.389 1.813 2.859
49 HG21 THR 7 HG21 THR 7 4.333 1.450 3.822
50 HG22 THR 7 HG22 THR 7 3.382 -0.016 3.581
51 HG23 THR 7 HG23 THR 7 3.065 1.023 4.970
52 H ILE 8 H ILE 8 4.196 3.408 5.248
53 HA ILE 8 HA ILE 8 2.385 3.172 7.496
54 HB ILE 8 HB ILE 8 4.403 3.183 8.884
55 HG12 ILE 8 HG12 ILE 8 6.555 2.960 7.231
56 HG13 ILE 8 HG13 ILE 8 5.602 4.166 6.373
57 HG21 ILE 8 HG21 ILE 8 5.068 1.355 6.626
58 HG22 ILE 8 HG22 ILE 8 5.050 1.042 8.361
59 HG23 ILE 8 HG23 ILE 8 3.532 1.160 7.470
60 HD11 ILE 8 HD11 ILE 8 6.689 5.603 7.696
61 HD12 ILE 8 HD12 ILE 8 5.492 5.124 8.899
62 HD13 ILE 8 HD13 ILE 8 7.085 4.367 8.889
63 H GLU 9 H GLU 9 4.318 5.640 5.931
64 HA GLU 9 HA GLU 9 4.182 7.585 7.975
65 HB2 GLU 9 HB2 GLU 9 5.818 7.858 6.260
66 HB3 GLU 9 HB3 GLU 9 4.598 7.799 4.996
67 HG2 GLU 9 HG2 GLU 9 5.360 10.059 5.290
68 HG3 GLU 9 HG3 GLU 9 3.679 9.927 5.804
69 H PHE 10 H PHE 10 1.996 6.659 5.411
70 HA PHE 10 HA PHE 10 0.270 8.950 5.847
71 HB2 PHE 10 HB2 PHE 10 0.719 7.770 3.588
72 HB3 PHE 10 HB3 PHE 10 -0.423 6.558 4.161
73 HD1 PHE 10 HD1 PHE 10 -2.773 7.090 4.429
74 HD2 PHE 10 HD2 PHE 10 -0.008 9.985 2.985
75 HE1 PHE 10 HE1 PHE 10 -4.645 8.481 3.644
76 HE2 PHE 10 HE2 PHE 10 -1.875 11.381 2.198
77 HZ PHE 10 HZ PHE 10 -4.197 10.630 2.529
78 H SER 11 H SER 11 0.141 5.432 6.298
79 HA SER 11 HA SER 11 -2.449 5.313 7.372
80 HB2 SER 11 HB2 SER 11 -1.023 3.371 6.559
81 HB3 SER 11 HB3 SER 11 -0.186 3.451 8.109
82 HG SER 11 HG SER 11 -2.203 2.030 7.745
83 H SER 12 H SER 12 0.590 6.228 8.766
84 HA SER 12 HA SER 12 -0.383 6.034 11.492
85 HB2 SER 12 HB2 SER 12 2.225 7.023 10.324
86 HB3 SER 12 HB3 SER 12 1.866 7.027 12.050
87 HG SER 12 HG SER 12 2.699 5.085 11.908
88 H LYS 13 H LYS 13 0.729 8.625 9.316
89 HA LYS 13 HA LYS 13 0.238 10.804 10.939
90 HB2 LYS 13 HB2 LYS 13 0.327 10.371 7.998
91 HB3 LYS 13 HB3 LYS 13 -0.369 11.882 8.568
92 HG2 LYS 13 HG2 LYS 13 1.847 11.918 10.022
93 HG3 LYS 13 HG3 LYS 13 2.426 10.908 8.695
94 HD2 LYS 13 HD2 LYS 13 2.935 12.961 7.842
95 HD3 LYS 13 HD3 LYS 13 1.280 12.812 7.246
96 HE2 LYS 13 HE2 LYS 13 1.514 14.987 8.195
97 HE3 LYS 13 HE3 LYS 13 0.521 14.030 9.293
98 HZ1 LYS 13 HZ1 LYS 13 3.405 14.079 9.765
99 HZ2 LYS 13 HZ2 LYS 13 2.130 14.003 10.874
100 HZ3 LYS 13 HZ3 LYS 13 2.530 15.477 10.145
101 H PHE 14 H PHE 14 -2.002 9.257 8.648
102 HA PHE 14 HA PHE 14 -4.237 10.213 10.269
103 HB2 PHE 14 HB2 PHE 14 -3.600 11.108 7.541
104 HB3 PHE 14 HB3 PHE 14 -5.259 10.559 7.753
105 HD1 PHE 14 HD1 PHE 14 -6.365 11.488 10.021
106 HD2 PHE 14 HD2 PHE 14 -3.204 13.337 7.852
107 HE1 PHE 14 HE1 PHE 14 -6.956 13.658 11.018
108 HE2 PHE 14 HE2 PHE 14 -3.789 15.510 8.847
109 HZ PHE 14 HZ PHE 14 -5.668 15.673 10.431
Start of MODEL 15
1 H MET 1 H MET 1 2.007 0.057 0.773
2 HA MET 1 HA MET 1 1.548 -0.513 -2.073
3 HB2 MET 1 HB2 MET 1 3.484 1.496 -0.920
4 HB3 MET 1 HB3 MET 1 3.571 0.907 -2.575
5 HG2 MET 1 HG2 MET 1 1.023 2.080 -1.573
6 HG3 MET 1 HG3 MET 1 2.356 3.143 -2.019
7 HE1 MET 1 HE1 MET 1 0.467 3.734 -5.246
8 HE2 MET 1 HE2 MET 1 -0.248 3.669 -3.635
9 HE3 MET 1 HE3 MET 1 1.341 4.400 -3.867
10 H GLU 2 H GLU 2 2.210 -2.208 0.240
11 HA GLU 2 HA GLU 2 3.543 -3.988 0.721
12 HB2 GLU 2 HB2 GLU 2 4.849 -3.551 -1.963
13 HB3 GLU 2 HB3 GLU 2 4.728 -5.051 -1.055
14 HG2 GLU 2 HG2 GLU 2 2.165 -4.686 -1.328
15 HG3 GLU 2 HG3 GLU 2 2.652 -3.635 -2.656
16 H ASN 3 H ASN 3 4.373 -1.296 1.430
17 HA ASN 3 HA ASN 3 7.236 -1.833 1.794
18 HB2 ASN 3 HB2 ASN 3 5.978 0.714 0.797
19 HB3 ASN 3 HB3 ASN 3 7.545 0.720 1.600
20 HD21 ASN 3 HD21 ASN 3 5.932 0.365 -1.308
21 HD22 ASN 3 HD22 ASN 3 7.237 -0.255 -2.256
22 H THR 4 H THR 4 8.035 0.101 3.391
23 HA THR 4 HA THR 4 6.073 0.364 5.558
24 HB THR 4 HB THR 4 7.424 -1.598 6.115
25 HG1 THR 4 HG1 THR 4 7.034 -0.714 8.012
26 HG21 THR 4 HG21 THR 4 9.927 -0.567 6.760
27 HG22 THR 4 HG22 THR 4 9.576 0.089 5.161
28 HG23 THR 4 HG23 THR 4 9.547 -1.654 5.426
29 H SER 5 H SER 5 6.726 2.393 3.830
30 HA SER 5 HA SER 5 8.143 4.227 5.623
31 HB2 SER 5 HB2 SER 5 9.264 5.270 3.638
32 HB3 SER 5 HB3 SER 5 9.821 3.635 3.991
33 HG SER 5 HG SER 5 9.297 3.212 2.009
34 H ILE 6 H ILE 6 6.457 4.167 2.477
35 HA ILE 6 HA ILE 6 5.251 6.739 3.003
36 HB ILE 6 HB ILE 6 4.720 4.841 0.715
37 HG12 ILE 6 HG12 ILE 6 7.082 5.455 0.786
38 HG13 ILE 6 HG13 ILE 6 6.286 6.262 -0.561
39 HG21 ILE 6 HG21 ILE 6 2.956 6.464 0.979
40 HG22 ILE 6 HG22 ILE 6 4.131 7.775 1.080
41 HG23 ILE 6 HG23 ILE 6 3.929 6.886 -0.430
42 HD11 ILE 6 HD11 ILE 6 6.112 8.000 1.642
43 HD12 ILE 6 HD12 ILE 6 7.767 7.392 1.591
44 HD13 ILE 6 HD13 ILE 6 7.074 8.186 0.176
45 H THR 7 H THR 7 4.067 3.419 2.496
46 HA THR 7 HA THR 7 1.356 3.928 2.927
47 HB THR 7 HB THR 7 2.246 1.802 2.003
48 HG1 THR 7 HG1 THR 7 0.660 1.369 4.329
49 HG21 THR 7 HG21 THR 7 2.927 1.172 4.877
50 HG22 THR 7 HG22 THR 7 4.100 1.509 3.605
51 HG23 THR 7 HG23 THR 7 3.075 0.078 3.503
52 H ILE 8 H ILE 8 3.987 3.502 5.177
53 HA ILE 8 HA ILE 8 2.211 3.272 7.462
54 HB ILE 8 HB ILE 8 4.232 3.142 8.811
55 HG12 ILE 8 HG12 ILE 8 6.401 2.963 7.233
56 HG13 ILE 8 HG13 ILE 8 5.476 4.138 6.305
57 HG21 ILE 8 HG21 ILE 8 3.354 1.143 7.595
58 HG22 ILE 8 HG22 ILE 8 4.572 1.435 6.354
59 HG23 ILE 8 HG23 ILE 8 5.067 1.057 8.004
60 HD11 ILE 8 HD11 ILE 8 6.472 5.634 7.624
61 HD12 ILE 8 HD12 ILE 8 5.272 5.145 8.820
62 HD13 ILE 8 HD13 ILE 8 6.884 4.431 8.846
63 H GLU 9 H GLU 9 4.193 5.683 5.879
64 HA GLU 9 HA GLU 9 4.199 7.603 7.951
65 HB2 GLU 9 HB2 GLU 9 5.785 7.838 6.185
66 HB3 GLU 9 HB3 GLU 9 4.522 7.844 4.962
67 HG2 GLU 9 HG2 GLU 9 5.380 10.069 5.260
68 HG3 GLU 9 HG3 GLU 9 3.714 9.994 5.830
69 H PHE 10 H PHE 10 1.900 6.807 5.439
70 HA PHE 10 HA PHE 10 0.267 9.144 6.011
71 HB2 PHE 10 HB2 PHE 10 0.541 8.319 3.680
72 HB3 PHE 10 HB3 PHE 10 -0.284 6.833 4.138
73 HD1 PHE 10 HD1 PHE 10 -2.424 6.721 3.344
74 HD2 PHE 10 HD2 PHE 10 -0.910 10.480 4.645
75 HE1 PHE 10 HE1 PHE 10 -4.592 7.767 2.834
76 HE2 PHE 10 HE2 PHE 10 -3.076 11.532 4.138
77 HZ PHE 10 HZ PHE 10 -4.920 10.175 3.230
78 H SER 11 H SER 11 -0.009 5.608 6.226
79 HA SER 11 HA SER 11 -2.568 5.500 7.343
80 HB2 SER 11 HB2 SER 11 -1.268 3.552 6.432
81 HB3 SER 11 HB3 SER 11 -0.306 3.571 7.910
82 HG SER 11 HG SER 11 -3.039 2.965 7.577
83 H SER 12 H SER 12 0.499 6.286 8.754
84 HA SER 12 HA SER 12 -0.508 6.030 11.473
85 HB2 SER 12 HB2 SER 12 1.826 5.358 10.911
86 HB3 SER 12 HB3 SER 12 2.183 7.041 10.524
87 HG SER 12 HG SER 12 1.454 5.949 13.035
88 H LYS 13 H LYS 13 0.806 8.590 9.378
89 HA LYS 13 HA LYS 13 0.496 10.754 11.063
90 HB2 LYS 13 HB2 LYS 13 1.633 10.919 8.915
91 HB3 LYS 13 HB3 LYS 13 0.119 10.645 8.065
92 HG2 LYS 13 HG2 LYS 13 -0.737 12.747 8.708
93 HG3 LYS 13 HG3 LYS 13 0.544 12.985 9.899
94 HD2 LYS 13 HD2 LYS 13 1.162 14.334 8.081
95 HD3 LYS 13 HD3 LYS 13 2.161 12.887 7.924
96 HE2 LYS 13 HE2 LYS 13 0.491 11.987 6.314
97 HE3 LYS 13 HE3 LYS 13 -0.365 13.526 6.404
98 HZ1 LYS 13 HZ1 LYS 13 2.260 12.933 5.214
99 HZ2 LYS 13 HZ2 LYS 13 1.925 14.497 5.763
100 HZ3 LYS 13 HZ3 LYS 13 0.961 13.798 4.561
101 H PHE 14 H PHE 14 -1.907 9.179 9.019
102 HA PHE 14 HA PHE 14 -4.019 10.429 10.578
103 HB2 PHE 14 HB2 PHE 14 -3.426 11.810 8.434
104 HB3 PHE 14 HB3 PHE 14 -4.300 10.533 7.596
105 HD1 PHE 14 HD1 PHE 14 -6.455 11.079 7.068
106 HD2 PHE 14 HD2 PHE 14 -4.799 12.540 10.707
107 HE1 PHE 14 HE1 PHE 14 -8.584 12.199 7.583
108 HE2 PHE 14 HE2 PHE 14 -6.926 13.662 11.228
109 HZ PHE 14 HZ PHE 14 -8.822 13.494 9.664
Start of MODEL 16
1 H MET 1 H MET 1 1.654 0.282 0.750
2 HA MET 1 HA MET 1 1.188 -0.515 -2.046
3 HB2 MET 1 HB2 MET 1 2.980 1.667 -0.989
4 HB3 MET 1 HB3 MET 1 3.174 0.980 -2.597
5 HG2 MET 1 HG2 MET 1 0.722 1.592 -2.957
6 HG3 MET 1 HG3 MET 1 0.890 2.583 -1.510
7 HE1 MET 1 HE1 MET 1 1.250 4.574 -1.423
8 HE2 MET 1 HE2 MET 1 2.718 5.356 -2.009
9 HE3 MET 1 HE3 MET 1 1.189 5.600 -2.856
10 H GLU 2 H GLU 2 1.984 -2.060 0.341
11 HA GLU 2 HA GLU 2 3.443 -3.708 0.914
12 HB2 GLU 2 HB2 GLU 2 4.514 -3.454 -1.896
13 HB3 GLU 2 HB3 GLU 2 4.588 -4.864 -0.848
14 HG2 GLU 2 HG2 GLU 2 2.068 -4.898 -0.920
15 HG3 GLU 2 HG3 GLU 2 2.177 -3.691 -2.200
16 H ASN 3 H ASN 3 4.215 -1.210 1.715
17 HA ASN 3 HA ASN 3 7.138 -1.432 1.576
18 HB2 ASN 3 HB2 ASN 3 5.471 1.018 1.071
19 HB3 ASN 3 HB3 ASN 3 7.114 1.161 1.689
20 HD21 ASN 3 HD21 ASN 3 5.257 1.053 -1.038
21 HD22 ASN 3 HD22 ASN 3 6.479 0.658 -2.194
22 H THR 4 H THR 4 8.005 0.359 3.275
23 HA THR 4 HA THR 4 6.390 0.197 5.717
24 HB THR 4 HB THR 4 7.988 -1.706 5.739
25 HG1 THR 4 HG1 THR 4 7.349 -0.718 7.713
26 HG21 THR 4 HG21 THR 4 9.790 0.256 4.782
27 HG22 THR 4 HG22 THR 4 10.103 -1.452 5.091
28 HG23 THR 4 HG23 THR 4 10.370 -0.261 6.365
29 H SER 5 H SER 5 6.933 2.401 3.949
30 HA SER 5 HA SER 5 8.130 4.216 5.896
31 HB2 SER 5 HB2 SER 5 9.103 3.831 3.073
32 HB3 SER 5 HB3 SER 5 9.323 5.367 3.912
33 HG SER 5 HG SER 5 10.595 4.372 5.407
34 H ILE 6 H ILE 6 6.703 4.070 2.633
35 HA ILE 6 HA ILE 6 5.445 6.646 2.969
36 HB ILE 6 HB ILE 6 5.001 4.641 0.757
37 HG12 ILE 6 HG12 ILE 6 7.375 5.164 0.902
38 HG13 ILE 6 HG13 ILE 6 6.677 5.955 -0.507
39 HG21 ILE 6 HG21 ILE 6 4.255 7.493 1.193
40 HG22 ILE 6 HG22 ILE 6 4.581 6.930 -0.446
41 HG23 ILE 6 HG23 ILE 6 3.307 6.172 0.510
42 HD11 ILE 6 HD11 ILE 6 7.989 7.618 0.362
43 HD12 ILE 6 HD12 ILE 6 6.433 7.982 1.109
44 HD13 ILE 6 HD13 ILE 6 7.680 7.141 2.031
45 H THR 7 H THR 7 4.314 3.292 2.581
46 HA THR 7 HA THR 7 1.577 3.825 2.874
47 HB THR 7 HB THR 7 2.519 1.678 2.024
48 HG1 THR 7 HG1 THR 7 0.869 1.050 4.220
49 HG21 THR 7 HG21 THR 7 3.206 -0.032 3.629
50 HG22 THR 7 HG22 THR 7 3.030 1.124 4.949
51 HG23 THR 7 HG23 THR 7 4.267 1.373 3.718
52 H ILE 8 H ILE 8 4.124 3.400 5.225
53 HA ILE 8 HA ILE 8 2.283 3.198 7.452
54 HB ILE 8 HB ILE 8 4.266 3.147 8.866
55 HG12 ILE 8 HG12 ILE 8 6.478 2.976 7.328
56 HG13 ILE 8 HG13 ILE 8 5.551 4.140 6.386
57 HG21 ILE 8 HG21 ILE 8 3.434 1.163 7.372
58 HG22 ILE 8 HG22 ILE 8 4.994 1.379 6.581
59 HG23 ILE 8 HG23 ILE 8 4.922 1.019 8.306
60 HD11 ILE 8 HD11 ILE 8 6.900 4.443 8.963
61 HD12 ILE 8 HD12 ILE 8 6.519 5.642 7.725
62 HD13 ILE 8 HD13 ILE 8 5.286 5.151 8.887
63 H GLU 9 H GLU 9 4.238 5.635 5.882
64 HA GLU 9 HA GLU 9 4.149 7.587 7.920
65 HB2 GLU 9 HB2 GLU 9 5.759 7.839 6.176
66 HB3 GLU 9 HB3 GLU 9 4.517 7.791 4.933
67 HG2 GLU 9 HG2 GLU 9 5.306 10.043 5.209
68 HG3 GLU 9 HG3 GLU 9 3.635 9.930 5.757
69 H PHE 10 H PHE 10 1.921 6.692 5.376
70 HA PHE 10 HA PHE 10 0.222 8.995 5.841
71 HB2 PHE 10 HB2 PHE 10 0.440 8.166 3.561
72 HB3 PHE 10 HB3 PHE 10 -0.133 6.577 4.057
73 HD1 PHE 10 HD1 PHE 10 -2.329 6.068 3.648
74 HD2 PHE 10 HD2 PHE 10 -1.227 10.143 4.191
75 HE1 PHE 10 HE1 PHE 10 -4.643 6.754 3.170
76 HE2 PHE 10 HE2 PHE 10 -3.539 10.835 3.714
77 HZ PHE 10 HZ PHE 10 -5.251 9.140 3.202
78 H SER 11 H SER 11 0.025 5.471 6.257
79 HA SER 11 HA SER 11 -2.536 5.390 7.388
80 HB2 SER 11 HB2 SER 11 -0.179 3.561 7.364
81 HB3 SER 11 HB3 SER 11 -1.466 3.234 8.523
82 HG SER 11 HG SER 11 -1.425 2.591 5.988
83 H SER 12 H SER 12 0.537 6.261 8.731
84 HA SER 12 HA SER 12 -0.415 6.089 11.472
85 HB2 SER 12 HB2 SER 12 2.225 6.967 10.288
86 HB3 SER 12 HB3 SER 12 1.877 6.978 12.016
87 HG SER 12 HG SER 12 2.812 4.983 10.672
88 H LYS 13 H LYS 13 0.728 8.611 9.239
89 HA LYS 13 HA LYS 13 0.398 10.829 10.849
90 HB2 LYS 13 HB2 LYS 13 1.435 10.895 8.622
91 HB3 LYS 13 HB3 LYS 13 -0.136 10.624 7.879
92 HG2 LYS 13 HG2 LYS 13 0.030 12.885 7.663
93 HG3 LYS 13 HG3 LYS 13 -0.783 12.785 9.226
94 HD2 LYS 13 HD2 LYS 13 0.889 14.243 9.766
95 HD3 LYS 13 HD3 LYS 13 1.716 12.721 10.106
96 HE2 LYS 13 HE2 LYS 13 2.689 12.784 7.837
97 HE3 LYS 13 HE3 LYS 13 1.915 14.345 7.571
98 HZ1 LYS 13 HZ1 LYS 13 3.376 15.404 8.915
99 HZ2 LYS 13 HZ2 LYS 13 4.384 14.131 8.441
100 HZ3 LYS 13 HZ3 LYS 13 3.600 14.076 9.939
101 H PHE 14 H PHE 14 -2.013 9.234 8.791
102 HA PHE 14 HA PHE 14 -4.110 10.550 10.372
103 HB2 PHE 14 HB2 PHE 14 -3.835 11.700 8.168
104 HB3 PHE 14 HB3 PHE 14 -4.234 10.180 7.374
105 HD1 PHE 14 HD1 PHE 14 -6.469 9.490 7.114
106 HD2 PHE 14 HD2 PHE 14 -5.545 12.814 9.606
107 HE1 PHE 14 HE1 PHE 14 -8.862 10.044 7.256
108 HE2 PHE 14 HE2 PHE 14 -7.936 13.373 9.753
109 HZ PHE 14 HZ PHE 14 -9.598 11.988 8.576
Start of MODEL 17
1 H MET 1 H MET 1 0.969 0.695 0.222
2 HA MET 1 HA MET 1 1.854 0.761 -1.890
3 HB2 MET 1 HB2 MET 1 3.199 2.820 -0.664
4 HB3 MET 1 HB3 MET 1 4.514 1.777 -1.189
5 HG2 MET 1 HG2 MET 1 4.315 2.494 -3.268
6 HG3 MET 1 HG3 MET 1 2.612 2.043 -3.303
7 HE1 MET 1 HE1 MET 1 4.294 4.666 -4.693
8 HE2 MET 1 HE2 MET 1 2.684 4.106 -5.144
9 HE3 MET 1 HE3 MET 1 2.935 5.790 -4.681
10 H GLU 2 H GLU 2 2.269 -1.339 0.175
11 HA GLU 2 HA GLU 2 3.269 -3.376 0.330
12 HB2 GLU 2 HB2 GLU 2 4.543 -2.797 -2.342
13 HB3 GLU 2 HB3 GLU 2 4.188 -4.368 -1.636
14 HG2 GLU 2 HG2 GLU 2 2.283 -2.369 -2.798
15 HG3 GLU 2 HG3 GLU 2 2.557 -4.043 -3.279
16 H ASN 3 H ASN 3 4.578 -1.049 1.401
17 HA ASN 3 HA ASN 3 7.260 -2.157 1.649
18 HB2 ASN 3 HB2 ASN 3 6.648 0.605 0.630
19 HB3 ASN 3 HB3 ASN 3 8.150 0.273 1.486
20 HD21 ASN 3 HD21 ASN 3 6.422 -0.023 -1.444
21 HD22 ASN 3 HD22 ASN 3 7.654 -0.821 -2.356
22 H THR 4 H THR 4 8.493 -0.515 3.275
23 HA THR 4 HA THR 4 6.635 -0.106 5.527
24 HB THR 4 HB THR 4 8.062 -1.923 6.108
25 HG1 THR 4 HG1 THR 4 9.012 -1.063 7.938
26 HG21 THR 4 HG21 THR 4 10.000 -0.482 4.542
27 HG22 THR 4 HG22 THR 4 10.024 -2.162 5.078
28 HG23 THR 4 HG23 THR 4 10.671 -0.894 6.119
29 H SER 5 H SER 5 6.484 2.066 4.380
30 HA SER 5 HA SER 5 7.859 4.003 5.884
31 HB2 SER 5 HB2 SER 5 9.103 3.214 3.332
32 HB3 SER 5 HB3 SER 5 8.869 4.951 3.529
33 HG SER 5 HG SER 5 10.238 4.970 5.182
34 H ILE 6 H ILE 6 6.342 3.407 2.730
35 HA ILE 6 HA ILE 6 5.086 6.006 2.703
36 HB ILE 6 HB ILE 6 4.502 3.672 0.883
37 HG12 ILE 6 HG12 ILE 6 6.915 4.198 0.886
38 HG13 ILE 6 HG13 ILE 6 6.157 4.606 -0.649
39 HG21 ILE 6 HG21 ILE 6 4.106 5.788 -0.649
40 HG22 ILE 6 HG22 ILE 6 2.845 5.170 0.418
41 HG23 ILE 6 HG23 ILE 6 3.811 6.562 0.908
42 HD11 ILE 6 HD11 ILE 6 6.059 6.960 0.065
43 HD12 ILE 6 HD12 ILE 6 6.908 6.519 1.547
44 HD13 ILE 6 HD13 ILE 6 7.704 6.331 -0.015
45 H THR 7 H THR 7 3.928 2.640 2.877
46 HA THR 7 HA THR 7 1.220 3.216 3.247
47 HB THR 7 HB THR 7 2.073 0.959 2.714
48 HG1 THR 7 HG1 THR 7 0.657 -0.129 4.282
49 HG21 THR 7 HG21 THR 7 3.992 1.050 4.327
50 HG22 THR 7 HG22 THR 7 3.060 -0.446 4.383
51 HG23 THR 7 HG23 THR 7 2.833 0.782 5.628
52 H ILE 8 H ILE 8 3.881 3.126 5.522
53 HA ILE 8 HA ILE 8 2.164 3.318 7.836
54 HB ILE 8 HB ILE 8 4.251 3.577 9.115
55 HG12 ILE 8 HG12 ILE 8 6.290 2.978 7.376
56 HG13 ILE 8 HG13 ILE 8 5.315 4.094 6.427
57 HG21 ILE 8 HG21 ILE 8 4.814 1.362 9.001
58 HG22 ILE 8 HG22 ILE 8 3.285 1.339 8.126
59 HG23 ILE 8 HG23 ILE 8 4.808 1.337 7.238
60 HD11 ILE 8 HD11 ILE 8 5.985 5.845 7.619
61 HD12 ILE 8 HD12 ILE 8 5.748 5.005 9.151
62 HD13 ILE 8 HD13 ILE 8 7.244 4.780 8.244
63 H GLU 9 H GLU 9 4.065 5.476 5.826
64 HA GLU 9 HA GLU 9 4.086 7.736 7.470
65 HB2 GLU 9 HB2 GLU 9 4.504 7.167 4.620
66 HB3 GLU 9 HB3 GLU 9 3.918 8.792 4.945
67 HG2 GLU 9 HG2 GLU 9 6.347 7.545 6.210
68 HG3 GLU 9 HG3 GLU 9 6.368 8.659 4.844
69 H PHE 10 H PHE 10 1.632 6.494 5.281
70 HA PHE 10 HA PHE 10 -0.066 8.809 5.604
71 HB2 PHE 10 HB2 PHE 10 0.118 7.235 3.539
72 HB3 PHE 10 HB3 PHE 10 -0.977 6.194 4.444
73 HD1 PHE 10 HD1 PHE 10 -3.232 7.030 5.065
74 HD2 PHE 10 HD2 PHE 10 -0.653 9.180 2.450
75 HE1 PHE 10 HE1 PHE 10 -5.150 8.347 4.263
76 HE2 PHE 10 HE2 PHE 10 -2.566 10.501 1.644
77 HZ PHE 10 HZ PHE 10 -4.818 10.086 2.550
78 H SER 11 H SER 11 -0.143 5.399 6.599
79 HA SER 11 HA SER 11 -2.559 5.501 8.014
80 HB2 SER 11 HB2 SER 11 -1.552 3.375 7.423
81 HB3 SER 11 HB3 SER 11 -0.142 3.725 8.422
82 HG SER 11 HG SER 11 -1.235 3.211 10.163
83 H SER 12 H SER 12 0.637 6.557 8.843
84 HA SER 12 HA SER 12 0.092 6.759 11.673
85 HB2 SER 12 HB2 SER 12 2.371 6.279 10.874
86 HB3 SER 12 HB3 SER 12 2.409 7.836 10.047
87 HG SER 12 HG SER 12 2.373 8.870 12.004
88 H LYS 13 H LYS 13 0.626 9.049 9.001
89 HA LYS 13 HA LYS 13 0.063 11.362 10.543
90 HB2 LYS 13 HB2 LYS 13 0.163 12.570 8.499
91 HB3 LYS 13 HB3 LYS 13 1.352 11.281 8.371
92 HG2 LYS 13 HG2 LYS 13 0.418 10.647 6.471
93 HG3 LYS 13 HG3 LYS 13 -1.062 10.255 7.350
94 HD2 LYS 13 HD2 LYS 13 -0.777 13.108 6.874
95 HD3 LYS 13 HD3 LYS 13 -0.782 12.174 5.376
96 HE2 LYS 13 HE2 LYS 13 -2.814 11.474 7.416
97 HE3 LYS 13 HE3 LYS 13 -3.019 13.009 6.574
98 HZ1 LYS 13 HZ1 LYS 13 -3.232 11.954 4.537
99 HZ2 LYS 13 HZ2 LYS 13 -4.084 10.928 5.577
100 HZ3 LYS 13 HZ3 LYS 13 -2.522 10.516 5.076
101 H PHE 14 H PHE 14 -1.927 8.960 9.209
102 HA PHE 14 HA PHE 14 -4.288 10.697 9.512
103 HB2 PHE 14 HB2 PHE 14 -3.663 9.682 7.174
104 HB3 PHE 14 HB3 PHE 14 -4.361 8.211 7.844
105 HD1 PHE 14 HD1 PHE 14 -6.477 7.837 7.063
106 HD2 PHE 14 HD2 PHE 14 -5.286 11.828 7.943
107 HE1 PHE 14 HE1 PHE 14 -8.728 8.636 6.472
108 HE2 PHE 14 HE2 PHE 14 -7.535 12.632 7.355
109 HZ PHE 14 HZ PHE 14 -9.260 11.036 6.619
Start of MODEL 18
1 H MET 1 H MET 1 0.975 0.652 0.291
2 HA MET 1 HA MET 1 1.756 0.578 -1.862
3 HB2 MET 1 HB2 MET 1 3.021 2.792 -0.939
4 HB3 MET 1 HB3 MET 1 4.402 1.758 -1.283
5 HG2 MET 1 HG2 MET 1 2.366 1.871 -3.396
6 HG3 MET 1 HG3 MET 1 3.217 3.382 -3.082
7 HE1 MET 1 HE1 MET 1 3.476 3.099 -5.462
8 HE2 MET 1 HE2 MET 1 5.216 3.181 -5.738
9 HE3 MET 1 HE3 MET 1 4.299 1.780 -6.295
10 H GLU 2 H GLU 2 2.244 -1.401 0.227
11 HA GLU 2 HA GLU 2 3.298 -3.402 0.468
12 HB2 GLU 2 HB2 GLU 2 4.596 -2.860 -2.202
13 HB3 GLU 2 HB3 GLU 2 4.309 -4.422 -1.447
14 HG2 GLU 2 HG2 GLU 2 2.304 -2.551 -2.661
15 HG3 GLU 2 HG3 GLU 2 2.697 -4.200 -3.144
16 H ASN 3 H ASN 3 4.563 -0.844 1.285
17 HA ASN 3 HA ASN 3 7.298 -1.877 1.587
18 HB2 ASN 3 HB2 ASN 3 6.482 0.942 0.875
19 HB3 ASN 3 HB3 ASN 3 8.077 0.537 1.503
20 HD21 ASN 3 HD21 ASN 3 6.240 0.922 -1.237
21 HD22 ASN 3 HD22 ASN 3 7.272 0.123 -2.369
22 H THR 4 H THR 4 8.406 -0.181 3.283
23 HA THR 4 HA THR 4 6.555 -0.052 5.575
24 HB THR 4 HB THR 4 8.154 -1.857 5.916
25 HG1 THR 4 HG1 THR 4 7.570 -0.215 7.644
26 HG21 THR 4 HG21 THR 4 9.981 -0.001 4.724
27 HG22 THR 4 HG22 THR 4 10.220 -1.708 5.097
28 HG23 THR 4 HG23 THR 4 10.585 -0.481 6.309
29 H SER 5 H SER 5 6.697 2.139 4.013
30 HA SER 5 HA SER 5 7.837 4.086 5.807
31 HB2 SER 5 HB2 SER 5 9.100 3.447 3.204
32 HB3 SER 5 HB3 SER 5 8.886 5.161 3.559
33 HG SER 5 HG SER 5 9.981 4.768 5.558
34 H ILE 6 H ILE 6 6.337 3.503 2.650
35 HA ILE 6 HA ILE 6 5.046 6.084 2.634
36 HB ILE 6 HB ILE 6 4.499 3.741 0.814
37 HG12 ILE 6 HG12 ILE 6 6.881 4.288 0.750
38 HG13 ILE 6 HG13 ILE 6 6.097 4.793 -0.743
39 HG21 ILE 6 HG21 ILE 6 3.589 6.526 0.956
40 HG22 ILE 6 HG22 ILE 6 4.120 6.001 -0.641
41 HG23 ILE 6 HG23 ILE 6 2.840 5.122 0.195
42 HD11 ILE 6 HD11 ILE 6 5.941 7.019 0.893
43 HD12 ILE 6 HD12 ILE 6 7.545 6.353 1.202
44 HD13 ILE 6 HD13 ILE 6 7.061 6.762 -0.443
45 H THR 7 H THR 7 3.956 2.701 2.853
46 HA THR 7 HA THR 7 1.233 3.286 3.263
47 HB THR 7 HB THR 7 2.118 1.044 2.607
48 HG1 THR 7 HG1 THR 7 -0.016 1.359 3.536
49 HG21 THR 7 HG21 THR 7 3.983 0.951 4.214
50 HG22 THR 7 HG22 THR 7 2.936 -0.463 4.337
51 HG23 THR 7 HG23 THR 7 2.824 0.825 5.536
52 H ILE 8 H ILE 8 3.959 3.138 5.439
53 HA ILE 8 HA ILE 8 2.322 3.180 7.820
54 HB ILE 8 HB ILE 8 4.412 3.359 9.052
55 HG12 ILE 8 HG12 ILE 8 6.474 3.073 7.285
56 HG13 ILE 8 HG13 ILE 8 5.424 4.180 6.408
57 HG21 ILE 8 HG21 ILE 8 3.555 1.193 7.796
58 HG22 ILE 8 HG22 ILE 8 5.096 1.369 6.958
59 HG23 ILE 8 HG23 ILE 8 5.062 1.200 8.713
60 HD11 ILE 8 HD11 ILE 8 7.040 4.613 8.815
61 HD12 ILE 8 HD12 ILE 8 6.548 5.741 7.551
62 HD13 ILE 8 HD13 ILE 8 5.428 5.327 8.849
63 H GLU 9 H GLU 9 4.063 5.469 5.820
64 HA GLU 9 HA GLU 9 4.033 7.650 7.613
65 HB2 GLU 9 HB2 GLU 9 5.516 7.739 5.747
66 HB3 GLU 9 HB3 GLU 9 4.200 7.499 4.606
67 HG2 GLU 9 HG2 GLU 9 4.916 9.792 4.555
68 HG3 GLU 9 HG3 GLU 9 3.288 9.694 5.222
69 H PHE 10 H PHE 10 1.680 6.384 5.356
70 HA PHE 10 HA PHE 10 -0.069 8.675 5.638
71 HB2 PHE 10 HB2 PHE 10 0.238 7.118 3.556
72 HB3 PHE 10 HB3 PHE 10 -0.914 6.083 4.393
73 HD1 PHE 10 HD1 PHE 10 -3.207 6.834 4.780
74 HD2 PHE 10 HD2 PHE 10 -0.434 9.192 2.573
75 HE1 PHE 10 HE1 PHE 10 -5.064 8.181 3.893
76 HE2 PHE 10 HE2 PHE 10 -2.287 10.544 1.684
77 HZ PHE 10 HZ PHE 10 -4.606 10.040 2.344
78 H SER 11 H SER 11 -0.015 5.276 6.638
79 HA SER 11 HA SER 11 -2.517 5.277 7.936
80 HB2 SER 11 HB2 SER 11 -1.656 3.147 7.467
81 HB3 SER 11 HB3 SER 11 -0.071 3.537 8.133
82 HG SER 11 HG SER 11 -0.854 2.519 9.812
83 H SER 12 H SER 12 0.631 6.374 8.900
84 HA SER 12 HA SER 12 -0.089 6.564 11.704
85 HB2 SER 12 HB2 SER 12 2.220 5.964 11.051
86 HB3 SER 12 HB3 SER 12 2.395 7.534 10.269
87 HG SER 12 HG SER 12 3.191 7.285 12.524
88 H LYS 13 H LYS 13 0.581 8.750 8.996
89 HA LYS 13 HA LYS 13 0.101 11.129 10.499
90 HB2 LYS 13 HB2 LYS 13 1.474 10.884 8.350
91 HB3 LYS 13 HB3 LYS 13 -0.066 10.887 7.500
92 HG2 LYS 13 HG2 LYS 13 0.642 13.097 7.393
93 HG3 LYS 13 HG3 LYS 13 -0.519 13.091 8.723
94 HD2 LYS 13 HD2 LYS 13 1.174 14.236 9.731
95 HD3 LYS 13 HD3 LYS 13 1.679 12.593 10.130
96 HE2 LYS 13 HE2 LYS 13 3.611 13.672 9.323
97 HE3 LYS 13 HE3 LYS 13 3.052 12.652 7.999
98 HZ1 LYS 13 HZ1 LYS 13 2.001 15.350 8.007
99 HZ2 LYS 13 HZ2 LYS 13 2.588 14.420 6.722
100 HZ3 LYS 13 HZ3 LYS 13 3.667 15.236 7.738
101 H PHE 14 H PHE 14 -1.942 8.764 9.315
102 HA PHE 14 HA PHE 14 -4.132 10.084 8.282
103 HB2 PHE 14 HB2 PHE 14 -4.087 7.686 8.308
104 HB3 PHE 14 HB3 PHE 14 -4.009 7.650 10.066
105 HD1 PHE 14 HD1 PHE 14 -5.961 7.674 11.369
106 HD2 PHE 14 HD2 PHE 14 -6.184 8.488 7.198
107 HE1 PHE 14 HE1 PHE 14 -8.415 7.530 11.476
108 HE2 PHE 14 HE2 PHE 14 -8.638 8.347 7.298
109 HZ PHE 14 HZ PHE 14 -9.757 7.869 9.439
Start of MODEL 19
1 H MET 1 H MET 1 1.652 -0.128 1.163
2 HA MET 1 HA MET 1 1.434 0.064 -1.767
3 HB2 MET 1 HB2 MET 1 2.186 2.110 0.016
4 HB3 MET 1 HB3 MET 1 3.670 1.574 -0.760
5 HG2 MET 1 HG2 MET 1 1.449 1.931 -2.614
6 HG3 MET 1 HG3 MET 1 1.910 3.404 -1.765
7 HE1 MET 1 HE1 MET 1 3.989 4.582 -4.519
8 HE2 MET 1 HE2 MET 1 2.508 4.688 -3.568
9 HE3 MET 1 HE3 MET 1 4.073 4.937 -2.793
10 H GLU 2 H GLU 2 2.162 -2.175 0.041
11 HA GLU 2 HA GLU 2 3.721 -3.825 0.238
12 HB2 GLU 2 HB2 GLU 2 4.652 -2.806 -2.450
13 HB3 GLU 2 HB3 GLU 2 4.919 -4.411 -1.786
14 HG2 GLU 2 HG2 GLU 2 2.237 -3.241 -2.485
15 HG3 GLU 2 HG3 GLU 2 3.149 -4.379 -3.475
16 H ASN 3 H ASN 3 4.408 -1.282 1.390
17 HA ASN 3 HA ASN 3 7.294 -1.662 1.553
18 HB2 ASN 3 HB2 ASN 3 5.943 0.843 0.619
19 HB3 ASN 3 HB3 ASN 3 7.435 0.961 1.547
20 HD21 ASN 3 HD21 ASN 3 6.003 0.165 -1.464
21 HD22 ASN 3 HD22 ASN 3 7.464 -0.161 -2.326
22 H THR 4 H THR 4 8.133 0.063 3.278
23 HA THR 4 HA THR 4 6.197 0.159 5.493
24 HB THR 4 HB THR 4 7.681 -1.748 5.884
25 HG1 THR 4 HG1 THR 4 8.542 0.297 7.643
26 HG21 THR 4 HG21 THR 4 9.600 -0.592 4.567
27 HG22 THR 4 HG22 THR 4 10.001 -1.636 5.931
28 HG23 THR 4 HG23 THR 4 10.012 0.117 6.127
29 H SER 5 H SER 5 6.676 2.323 3.872
30 HA SER 5 HA SER 5 7.872 4.174 5.771
31 HB2 SER 5 HB2 SER 5 9.345 5.219 4.178
32 HB3 SER 5 HB3 SER 5 9.702 3.492 4.187
33 HG SER 5 HG SER 5 8.630 3.266 2.265
34 H ILE 6 H ILE 6 6.341 3.816 2.586
35 HA ILE 6 HA ILE 6 5.148 6.444 2.744
36 HB ILE 6 HB ILE 6 4.543 4.281 0.732
37 HG12 ILE 6 HG12 ILE 6 6.953 4.699 0.765
38 HG13 ILE 6 HG13 ILE 6 6.235 5.355 -0.702
39 HG21 ILE 6 HG21 ILE 6 2.963 5.809 0.236
40 HG22 ILE 6 HG22 ILE 6 3.819 7.115 1.054
41 HG23 ILE 6 HG23 ILE 6 4.300 6.629 -0.571
42 HD11 ILE 6 HD11 ILE 6 7.800 6.672 1.269
43 HD12 ILE 6 HD12 ILE 6 7.160 7.305 -0.247
44 HD13 ILE 6 HD13 ILE 6 6.198 7.408 1.227
45 H THR 7 H THR 7 4.086 3.082 2.993
46 HA THR 7 HA THR 7 1.321 3.752 3.329
47 HB THR 7 HB THR 7 2.092 1.558 2.423
48 HG1 THR 7 HG1 THR 7 -0.011 1.715 3.255
49 HG21 THR 7 HG21 THR 7 3.947 1.320 4.136
50 HG22 THR 7 HG22 THR 7 2.985 -0.127 3.833
51 HG23 THR 7 HG23 THR 7 2.700 0.835 5.283
52 H ILE 8 H ILE 8 4.060 3.395 5.423
53 HA ILE 8 HA ILE 8 2.476 3.150 7.830
54 HB ILE 8 HB ILE 8 4.620 3.295 9.022
55 HG12 ILE 8 HG12 ILE 8 6.597 3.077 7.152
56 HG13 ILE 8 HG13 ILE 8 5.522 4.237 6.379
57 HG21 ILE 8 HG21 ILE 8 3.685 1.196 7.746
58 HG22 ILE 8 HG22 ILE 8 5.147 1.406 6.783
59 HG23 ILE 8 HG23 ILE 8 5.267 1.154 8.524
60 HD11 ILE 8 HD11 ILE 8 7.334 4.580 8.610
61 HD12 ILE 8 HD12 ILE 8 6.574 5.784 7.569
62 HD13 ILE 8 HD13 ILE 8 5.707 5.155 8.970
63 H GLU 9 H GLU 9 4.238 5.656 6.102
64 HA GLU 9 HA GLU 9 3.993 7.622 8.161
65 HB2 GLU 9 HB2 GLU 9 4.932 9.153 6.607
66 HB3 GLU 9 HB3 GLU 9 5.729 7.611 6.327
67 HG2 GLU 9 HG2 GLU 9 4.328 7.205 4.394
68 HG3 GLU 9 HG3 GLU 9 3.449 8.703 4.694
69 H PHE 10 H PHE 10 2.044 6.610 5.452
70 HA PHE 10 HA PHE 10 0.294 8.909 5.611
71 HB2 PHE 10 HB2 PHE 10 0.825 7.718 3.457
72 HB3 PHE 10 HB3 PHE 10 -0.122 6.357 4.048
73 HD1 PHE 10 HD1 PHE 10 -2.449 6.321 3.818
74 HD2 PHE 10 HD2 PHE 10 -0.318 9.947 3.166
75 HE1 PHE 10 HE1 PHE 10 -4.495 7.360 2.930
76 HE2 PHE 10 HE2 PHE 10 -2.361 10.992 2.278
77 HZ PHE 10 HZ PHE 10 -4.453 9.698 2.158
78 H SER 11 H SER 11 0.357 5.585 6.698
79 HA SER 11 HA SER 11 -2.398 5.576 7.540
80 HB2 SER 11 HB2 SER 11 -1.535 3.456 6.907
81 HB3 SER 11 HB3 SER 11 -0.104 3.652 7.920
82 HG SER 11 HG SER 11 -2.726 2.988 8.640
83 H SER 12 H SER 12 0.706 6.276 8.957
84 HA SER 12 HA SER 12 -0.243 6.219 11.674
85 HB2 SER 12 HB2 SER 12 1.963 6.941 12.286
86 HB3 SER 12 HB3 SER 12 2.142 5.760 10.989
87 HG SER 12 HG SER 12 2.998 8.277 11.057
88 H LYS 13 H LYS 13 0.702 8.764 9.376
89 HA LYS 13 HA LYS 13 0.112 10.941 11.061
90 HB2 LYS 13 HB2 LYS 13 0.314 10.662 8.069
91 HB3 LYS 13 HB3 LYS 13 -0.070 12.200 8.832
92 HG2 LYS 13 HG2 LYS 13 2.325 10.737 9.794
93 HG3 LYS 13 HG3 LYS 13 2.405 11.520 8.213
94 HD2 LYS 13 HD2 LYS 13 1.401 13.000 10.620
95 HD3 LYS 13 HD3 LYS 13 3.131 12.859 10.297
96 HE2 LYS 13 HE2 LYS 13 2.975 14.065 8.305
97 HE3 LYS 13 HE3 LYS 13 1.235 13.813 8.180
98 HZ1 LYS 13 HZ1 LYS 13 1.008 15.230 10.194
99 HZ2 LYS 13 HZ2 LYS 13 1.604 16.049 8.840
100 HZ3 LYS 13 HZ3 LYS 13 2.657 15.590 10.082
101 H PHE 14 H PHE 14 -1.809 9.389 8.501
102 HA PHE 14 HA PHE 14 -4.207 10.620 9.691
103 HB2 PHE 14 HB2 PHE 14 -3.439 11.416 7.342
104 HB3 PHE 14 HB3 PHE 14 -4.049 9.860 6.789
105 HD1 PHE 14 HD1 PHE 14 -6.387 9.428 6.643
106 HD2 PHE 14 HD2 PHE 14 -4.966 13.076 8.312
107 HE1 PHE 14 HE1 PHE 14 -8.661 10.360 6.532
108 HE2 PHE 14 HE2 PHE 14 -7.238 14.014 8.204
109 HZ PHE 14 HZ PHE 14 -9.089 12.656 7.312
Start of MODEL 20
1 H MET 1 H MET 1 3.350 1.497 -0.273
2 HA MET 1 HA MET 1 3.723 0.535 -3.033
3 HB2 MET 1 HB2 MET 1 5.089 2.545 -2.277
4 HB3 MET 1 HB3 MET 1 5.925 1.448 -1.185
5 HG2 MET 1 HG2 MET 1 6.885 0.244 -2.941
6 HG3 MET 1 HG3 MET 1 5.757 0.901 -4.124
7 HE1 MET 1 HE1 MET 1 9.309 2.649 -2.089
8 HE2 MET 1 HE2 MET 1 8.704 0.994 -2.158
9 HE3 MET 1 HE3 MET 1 9.745 1.607 -3.444
10 H GLU 2 H GLU 2 2.765 -0.848 -0.522
11 HA GLU 2 HA GLU 2 2.985 -2.877 0.483
12 HB2 GLU 2 HB2 GLU 2 4.734 -3.401 -1.925
13 HB3 GLU 2 HB3 GLU 2 4.193 -4.639 -0.801
14 HG2 GLU 2 HG2 GLU 2 2.242 -2.891 -2.249
15 HG3 GLU 2 HG3 GLU 2 2.910 -4.344 -2.991
16 H ASN 3 H ASN 3 4.860 -0.705 1.130
17 HA ASN 3 HA ASN 3 6.910 -2.357 2.422
18 HB2 ASN 3 HB2 ASN 3 7.344 0.030 0.668
19 HB3 ASN 3 HB3 ASN 3 8.434 -0.244 2.024
20 HD21 ASN 3 HD21 ASN 3 7.260 -1.489 -1.010
21 HD22 ASN 3 HD22 ASN 3 8.546 -2.613 -1.272
22 H THR 4 H THR 4 7.986 -1.187 4.238
23 HA THR 4 HA THR 4 5.969 0.137 5.832
24 HB THR 4 HB THR 4 7.309 -1.531 6.942
25 HG1 THR 4 HG1 THR 4 7.893 -0.301 8.713
26 HG21 THR 4 HG21 THR 4 9.829 -0.652 7.313
27 HG22 THR 4 HG22 THR 4 9.535 -0.057 5.679
28 HG23 THR 4 HG23 THR 4 9.370 -1.776 6.035
29 H SER 5 H SER 5 6.255 1.887 3.959
30 HA SER 5 HA SER 5 7.738 4.066 5.210
31 HB2 SER 5 HB2 SER 5 9.410 3.698 3.691
32 HB3 SER 5 HB3 SER 5 8.335 2.903 2.540
33 HG SER 5 HG SER 5 9.185 5.105 2.022
34 H ILE 6 H ILE 6 5.768 3.252 2.350
35 HA ILE 6 HA ILE 6 4.494 5.843 2.390
36 HB ILE 6 HB ILE 6 3.851 3.423 0.701
37 HG12 ILE 6 HG12 ILE 6 6.141 4.197 0.328
38 HG13 ILE 6 HG13 ILE 6 5.130 4.581 -1.061
39 HG21 ILE 6 HG21 ILE 6 2.823 6.213 0.782
40 HG22 ILE 6 HG22 ILE 6 2.976 5.415 -0.783
41 HG23 ILE 6 HG23 ILE 6 1.967 4.702 0.476
42 HD11 ILE 6 HD11 ILE 6 5.959 6.499 1.104
43 HD12 ILE 6 HD12 ILE 6 6.623 6.413 -0.528
44 HD13 ILE 6 HD13 ILE 6 4.941 6.885 -0.284
45 H THR 7 H THR 7 3.449 2.473 2.863
46 HA THR 7 HA THR 7 0.775 3.034 3.498
47 HB THR 7 HB THR 7 1.650 0.767 2.945
48 HG1 THR 7 HG1 THR 7 -0.388 1.132 4.077
49 HG21 THR 7 HG21 THR 7 3.543 1.205 4.813
50 HG22 THR 7 HG22 THR 7 3.063 -0.404 4.275
51 HG23 THR 7 HG23 THR 7 2.390 0.266 5.760
52 H ILE 8 H ILE 8 3.685 3.107 5.429
53 HA ILE 8 HA ILE 8 2.245 3.341 7.928
54 HB ILE 8 HB ILE 8 4.448 3.640 8.956
55 HG12 ILE 8 HG12 ILE 8 6.343 3.101 7.089
56 HG13 ILE 8 HG13 ILE 8 5.226 4.072 6.136
57 HG21 ILE 8 HG21 ILE 8 5.070 1.439 8.789
58 HG22 ILE 8 HG22 ILE 8 3.443 1.369 8.115
59 HG23 ILE 8 HG23 ILE 8 4.841 1.393 7.041
60 HD11 ILE 8 HD11 ILE 8 6.741 5.611 6.984
61 HD12 ILE 8 HD12 ILE 8 5.356 5.749 8.067
62 HD13 ILE 8 HD13 ILE 8 6.782 4.842 8.570
63 H GLU 9 H GLU 9 3.860 5.442 5.631
64 HA GLU 9 HA GLU 9 4.011 7.761 7.204
65 HB2 GLU 9 HB2 GLU 9 4.172 7.108 4.336
66 HB3 GLU 9 HB3 GLU 9 3.654 8.751 4.689
67 HG2 GLU 9 HG2 GLU 9 5.651 9.294 5.733
68 HG3 GLU 9 HG3 GLU 9 6.081 7.606 6.005
69 H PHE 10 H PHE 10 1.401 6.388 5.302
70 HA PHE 10 HA PHE 10 -0.297 8.703 5.666
71 HB2 PHE 10 HB2 PHE 10 -0.354 7.279 3.600
72 HB3 PHE 10 HB3 PHE 10 -1.039 5.983 4.575
73 HD1 PHE 10 HD1 PHE 10 -3.313 5.733 4.505
74 HD2 PHE 10 HD2 PHE 10 -1.650 9.607 3.916
75 HE1 PHE 10 HE1 PHE 10 -5.568 6.639 4.122
76 HE2 PHE 10 HE2 PHE 10 -3.903 10.519 3.533
77 HZ PHE 10 HZ PHE 10 -5.865 9.035 3.635
78 H SER 11 H SER 11 -0.200 5.342 6.805
79 HA SER 11 HA SER 11 -2.511 5.442 8.392
80 HB2 SER 11 HB2 SER 11 -1.566 3.305 7.857
81 HB3 SER 11 HB3 SER 11 -0.024 3.736 8.596
82 HG SER 11 HG SER 11 -1.649 2.389 9.828
83 H SER 12 H SER 12 0.733 6.561 8.948
84 HA SER 12 HA SER 12 0.335 6.924 11.793
85 HB2 SER 12 HB2 SER 12 2.561 6.344 11.092
86 HB3 SER 12 HB3 SER 12 2.602 7.677 9.938
87 HG SER 12 HG SER 12 2.670 9.120 11.626
88 H LYS 13 H LYS 13 0.890 9.056 8.993
89 HA LYS 13 HA LYS 13 0.629 11.502 10.246
90 HB2 LYS 13 HB2 LYS 13 0.143 10.521 7.476
91 HB3 LYS 13 HB3 LYS 13 -0.455 12.122 7.891
92 HG2 LYS 13 HG2 LYS 13 2.012 12.381 8.832
93 HG3 LYS 13 HG3 LYS 13 2.326 11.144 7.613
94 HD2 LYS 13 HD2 LYS 13 2.607 13.016 6.334
95 HD3 LYS 13 HD3 LYS 13 0.873 12.773 6.114
96 HE2 LYS 13 HE2 LYS 13 0.936 15.006 6.647
97 HE3 LYS 13 HE3 LYS 13 0.700 14.290 8.241
98 HZ1 LYS 13 HZ1 LYS 13 2.947 14.601 8.779
99 HZ2 LYS 13 HZ2 LYS 13 2.472 16.052 8.051
100 HZ3 LYS 13 HZ3 LYS 13 3.388 14.928 7.179
101 H PHE 14 H PHE 14 -1.845 9.216 9.335
102 HA PHE 14 HA PHE 14 -3.792 10.703 10.884
103 HB2 PHE 14 HB2 PHE 14 -4.163 11.713 8.734
104 HB3 PHE 14 HB3 PHE 14 -4.170 10.142 7.940
105 HD1 PHE 14 HD1 PHE 14 -6.189 9.150 7.461
106 HD2 PHE 14 HD2 PHE 14 -5.987 12.027 10.591
107 HE1 PHE 14 HE1 PHE 14 -8.631 9.025 7.729
108 HE2 PHE 14 HE2 PHE 14 -8.429 11.906 10.865
109 HZ PHE 14 HZ PHE 14 -9.755 10.404 9.432