NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
617929 |
5tbr   |
30179 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 5.001 3.251 15.049
2 H2 GLY 1 HT2 GLY 1 6.535 2.555 14.829
3 H3 GLY 1 HT3 GLY 1 5.293 2.252 13.710
4 HA2 GLY 1 HA1 GLY 1 5.367 4.908 13.598
5 HA3 GLY 1 HA2 GLY 1 7.054 4.543 13.958
6 H GLU 2 HN GLU 2 7.593 5.258 11.774
7 HA GLU 2 HA GLU 2 6.731 3.352 9.638
8 HB2 GLU 2 HB2 GLU 2 7.939 6.122 9.361
9 HB3 GLU 2 HB1 GLU 2 7.364 5.104 8.040
10 HG2 GLU 2 HG2 GLU 2 5.086 5.128 9.067
11 HG3 GLU 2 HG1 GLU 2 5.684 6.254 10.287
12 H CGU 3 HN GLA 3 8.456 1.956 10.804
13 HA CGU 3 HA GLA 3 11.218 2.728 9.985
14 HB2 CGU 3 HB1 GLA 3 10.270 0.476 11.787
15 HB3 CGU 3 HB2 GLA 3 10.879 2.033 12.340
16 HG CGU 3 HG GLA 3 12.407 -0.016 10.706
17 H CGU 4 HN GLA 4 8.653 0.487 9.306
18 HA CGU 4 HA GLA 4 10.365 -1.382 7.834
19 HB2 CGU 4 HB1 GLA 4 8.356 -2.566 7.316
20 HB3 CGU 4 HB2 GLA 4 7.353 -1.148 7.623
21 HG CGU 4 HG GLA 4 9.086 -2.369 9.764
22 H LEU 5 HN LEU 5 8.582 1.506 7.209
23 HA LEU 5 HA LEU 5 8.446 1.204 4.327
24 HB2 LEU 5 HB2 LEU 5 8.245 3.671 6.082
25 HB3 LEU 5 HB1 LEU 5 7.865 3.614 4.366
26 HG LEU 5 HG LEU 5 6.188 1.796 4.880
27 HD11 LEU 5 HD11 LEU 5 5.483 2.108 7.450
28 HD12 LEU 5 HD12 LEU 5 7.212 2.416 7.612
29 HD13 LEU 5 HD13 LEU 5 6.648 0.884 6.944
30 HD21 LEU 5 HD21 LEU 5 4.493 3.363 5.698
31 HD22 LEU 5 HD22 LEU 5 5.560 4.188 4.561
32 HD23 LEU 5 HD23 LEU 5 5.752 4.445 6.296
33 H ALA 6 HN ALA 6 10.844 2.232 6.601
34 HA ALA 6 HA ALA 6 12.440 3.655 4.566
35 HB1 ALA 6 HB1 ALA 6 13.933 3.023 6.965
36 HB2 ALA 6 HB2 ALA 6 12.355 3.686 7.391
37 HB3 ALA 6 HB3 ALA 6 13.443 4.602 6.349
38 H CGU 7 HN GLA 7 12.452 0.530 6.236
39 HA CGU 7 HA GLA 7 15.012 -0.314 5.215
40 HB2 CGU 7 HB1 GLA 7 14.301 -2.574 5.885
41 HB3 CGU 7 HB2 GLA 7 12.650 -2.003 6.094
42 HG CGU 7 HG GLA 7 13.477 -0.381 7.809
43 H LYS 8 HN LYS 8 11.781 -0.246 3.870
44 HA LYS 8 HA LYS 8 12.421 -2.109 1.706
45 HB2 LYS 8 HB2 LYS 8 10.068 -0.577 2.601
46 HB3 LYS 8 HB1 LYS 8 10.206 -0.728 0.850
47 HG2 LYS 8 HG2 LYS 8 10.467 -3.180 1.097
48 HG3 LYS 8 HG1 LYS 8 10.281 -3.014 2.842
49 HD2 LYS 8 HD2 LYS 8 8.032 -2.051 2.516
50 HD3 LYS 8 HD1 LYS 8 8.214 -2.219 0.769
51 HE2 LYS 8 HE2 LYS 8 6.926 -4.107 1.687
52 HE3 LYS 8 HE1 LYS 8 8.466 -4.666 1.036
53 HZ1 LYS 8 HZ1 LYS 8 7.560 -5.214 3.505
54 HZ2 LYS 8 HZ2 LYS 8 8.560 -3.875 3.808
55 HZ3 LYS 8 HZ3 LYS 8 9.193 -5.257 3.050
56 H ALA 9 HN ALA 9 12.192 1.430 2.090
57 HA ALA 9 HA ALA 9 12.915 1.879 -0.716
58 HB1 ALA 9 HB1 ALA 9 13.111 4.000 1.399
59 HB2 ALA 9 HB2 ALA 9 11.519 3.413 0.921
60 HB3 ALA 9 HB3 ALA 9 12.585 4.146 -0.278
61 H ALA 10 HN ALA 10 14.525 1.532 2.347
62 HA ALA 10 HA ALA 10 17.008 2.799 1.582
63 HB1 ALA 10 HB1 ALA 10 17.945 1.540 3.531
64 HB2 ALA 10 HB2 ALA 10 16.398 0.707 3.693
65 HB3 ALA 10 HB3 ALA 10 16.491 2.450 3.940
66 H CGU 11 HN GLA 11 15.648 -0.429 1.206
67 HA CGU 11 HA GLA 11 18.204 -1.549 0.294
68 HB2 CGU 11 HB1 GLA 11 15.376 -2.639 0.348
69 HB3 CGU 11 HB2 GLA 11 16.746 -3.152 1.340
70 HG CGU 11 HG GLA 11 17.776 -3.545 -1.146
71 H PHE 12 HN PHE 12 15.049 -0.803 -1.282
72 HA PHE 12 HA PHE 12 15.805 -1.411 -3.938
73 HB2 PHE 12 HB2 PHE 12 14.302 1.172 -3.299
74 HB3 PHE 12 HB1 PHE 12 14.112 0.100 -4.716
75 HD1 PHE 12 HD1 PHE 12 14.168 -2.579 -3.123
76 HD2 PHE 12 HD2 PHE 12 11.989 1.080 -2.514
77 HE1 PHE 12 HE1 PHE 12 12.395 -3.822 -1.945
78 HE2 PHE 12 HE2 PHE 12 10.223 -0.175 -1.334
79 HZ PHE 12 HZ PHE 12 10.421 -2.626 -1.048
80 H ALA 13 HN ALA 13 16.839 1.204 -1.863
81 HA ALA 13 HA ALA 13 18.077 2.820 -3.920
82 HB1 ALA 13 HB1 ALA 13 18.496 2.607 -0.935
83 HB2 ALA 13 HB2 ALA 13 17.806 3.944 -1.855
84 HB3 ALA 13 HB3 ALA 13 19.538 3.625 -1.930
85 H ARG 14 HN ARG 14 19.570 0.506 -1.586
86 HA ARG 14 HA ARG 14 22.169 0.499 -2.543
87 HB2 ARG 14 HB2 ARG 14 20.539 -1.934 -1.742
88 HB3 ARG 14 HB1 ARG 14 22.300 -1.859 -1.800
89 HG2 ARG 14 HG2 ARG 14 20.546 -0.098 -0.062
90 HG3 ARG 14 HG1 ARG 14 21.427 -1.517 0.503
91 HD2 ARG 14 HD2 ARG 14 23.522 -0.347 -0.487
92 HD3 ARG 14 HD1 ARG 14 22.530 1.112 -0.477
93 HE ARG 14 HE ARG 14 22.394 -0.162 2.090
94 HH11 ARG 14 HH11 ARG 14 24.205 1.906 0.027
95 HH12 ARG 14 HH12 ARG 14 25.228 2.501 1.292
96 HH21 ARG 14 HH21 ARG 14 23.828 0.479 3.737
97 HH22 ARG 14 HH22 ARG 14 25.013 1.694 3.392
98 H CGU 15 HN GLA 15 19.403 -1.297 -3.919
99 HA CGU 15 HA GLA 15 21.007 -2.494 -6.041
100 HB2 CGU 15 HB1 GLA 15 19.028 -3.419 -6.856
101 HB3 CGU 15 HB2 GLA 15 18.047 -2.042 -6.367
102 HG CGU 15 HG GLA 15 18.109 -2.717 -4.065
103 H LEU 16 HN LEU 16 19.415 0.563 -5.586
104 HA LEU 16 HA LEU 16 19.243 1.295 -8.376
105 HB2 LEU 16 HB2 LEU 16 18.145 2.360 -6.208
106 HB3 LEU 16 HB1 LEU 16 19.603 3.352 -6.228
107 HG LEU 16 HG LEU 16 17.663 3.025 -8.536
108 HD11 LEU 16 HD11 LEU 16 18.032 5.070 -6.380
109 HD12 LEU 16 HD12 LEU 16 16.543 4.476 -7.117
110 HD13 LEU 16 HD13 LEU 16 17.561 5.624 -7.987
111 HD21 LEU 16 HD21 LEU 16 19.141 5.118 -9.247
112 HD22 LEU 16 HD22 LEU 16 19.671 3.476 -9.610
113 HD23 LEU 16 HD23 LEU 16 20.341 4.332 -8.220
114 H ALA 17 HN ALA 17 21.743 1.555 -5.902
115 HA ALA 17 HA ALA 17 23.454 3.292 -7.486
116 HB1 ALA 17 HB1 ALA 17 24.197 1.496 -5.159
117 HB2 ALA 17 HB2 ALA 17 23.571 3.136 -4.992
118 HB3 ALA 17 HB3 ALA 17 25.130 2.861 -5.771
119 H ASN 18 HN ASN 18 23.043 -0.182 -7.115
120 HA ASN 18 HA ASN 18 25.531 -0.895 -8.456
121 HB2 ASN 18 HB2 ASN 18 23.155 -2.725 -8.537
122 HB3 ASN 18 HB1 ASN 18 24.851 -3.096 -8.225
123 HD21 ASN 18 HD21 ASN 18 24.658 -0.543 -6.324
124 HD22 ASN 18 HD22 ASN 18 24.036 -1.235 -4.874
125 H TYR 19 HN TYR 19 22.670 0.497 -9.587
126 HA TYR 19 HA TYR 19 22.958 -0.709 -12.285
127 HB2 TYR 19 HB2 TYR 19 20.686 -0.680 -11.737
128 HB3 TYR 19 HB1 TYR 19 20.812 0.857 -10.882
129 HD1 TYR 19 HD1 TYR 19 21.319 -0.577 -14.307
130 HD2 TYR 19 HD2 TYR 19 20.088 2.791 -11.946
131 HE1 TYR 19 HE1 TYR 19 20.663 0.631 -16.376
132 HE2 TYR 19 HE2 TYR 19 19.430 4.001 -14.012
133 HH TYR 19 HH TYR 19 20.178 2.738 -17.197
134 HN1 NH2 20 H1 NH2 20 23.788 2.144 -10.496
135 HN2 NH2 20 H2 NH2 20 24.252 3.112 -11.844
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 3.936 -0.554 11.893
2 H2 GLY 1 HT2 GLY 1 2.819 0.496 12.625
3 H3 GLY 1 HT3 GLY 1 3.743 -0.566 13.577
4 HA2 GLY 1 HA1 GLY 1 4.409 1.928 13.386
5 HA3 GLY 1 HA2 GLY 1 5.644 0.668 13.403
6 H GLU 2 HN GLU 2 6.576 2.794 12.209
7 HA GLU 2 HA GLU 2 6.182 2.321 9.279
8 HB2 GLU 2 HB2 GLU 2 6.908 4.924 10.659
9 HB3 GLU 2 HB1 GLU 2 6.711 4.696 8.921
10 HG2 GLU 2 HG2 GLU 2 4.349 3.940 9.366
11 HG3 GLU 2 HG1 GLU 2 4.577 4.409 11.051
12 H CGU 3 HN GLA 3 8.040 0.818 10.721
13 HA CGU 3 HA GLA 3 10.663 2.133 10.173
14 HB2 CGU 3 HB1 GLA 3 10.025 -0.419 11.694
15 HB3 CGU 3 HB2 GLA 3 10.355 1.148 12.426
16 HG CGU 3 HG GLA 3 12.280 -0.338 10.612
17 H CGU 4 HN GLA 4 8.536 -0.394 9.123
18 HA CGU 4 HA GLA 4 10.576 -1.851 7.615
19 HB2 CGU 4 HB1 GLA 4 8.788 -3.227 6.837
20 HB3 CGU 4 HB2 GLA 4 7.584 -1.984 7.179
21 HG CGU 4 HG GLA 4 9.308 -3.190 9.340
22 H LEU 5 HN LEU 5 8.481 0.839 7.104
23 HA LEU 5 HA LEU 5 8.554 0.775 4.205
24 HB2 LEU 5 HB2 LEU 5 6.740 2.052 5.004
25 HB3 LEU 5 HB1 LEU 5 7.696 2.746 6.312
26 HG LEU 5 HG LEU 5 8.926 4.137 4.726
27 HD11 LEU 5 HD11 LEU 5 7.424 3.944 2.358
28 HD12 LEU 5 HD12 LEU 5 7.761 2.276 2.819
29 HD13 LEU 5 HD13 LEU 5 9.089 3.413 2.591
30 HD21 LEU 5 HD21 LEU 5 7.272 5.711 4.597
31 HD22 LEU 5 HD22 LEU 5 6.373 4.533 5.553
32 HD23 LEU 5 HD23 LEU 5 6.147 4.609 3.806
33 H ALA 6 HN ALA 6 10.455 2.347 6.743
34 HA ALA 6 HA ALA 6 12.042 3.941 4.918
35 HB1 ALA 6 HB1 ALA 6 12.465 4.835 6.967
36 HB2 ALA 6 HB2 ALA 6 13.696 3.579 7.088
37 HB3 ALA 6 HB3 ALA 6 12.104 3.324 7.802
38 H CGU 7 HN GLA 7 12.389 0.682 6.265
39 HA CGU 7 HA GLA 7 15.074 0.274 5.318
40 HB2 CGU 7 HB1 GLA 7 14.649 -2.110 5.691
41 HB3 CGU 7 HB2 GLA 7 12.920 -1.805 5.814
42 HG CGU 7 HG GLA 7 13.454 -0.229 7.739
43 H LYS 8 HN LYS 8 11.923 0.034 3.761
44 HA LYS 8 HA LYS 8 12.976 -1.428 1.457
45 HB2 LYS 8 HB2 LYS 8 10.365 0.003 1.973
46 HB3 LYS 8 HB1 LYS 8 10.736 -0.782 0.439
47 HG2 LYS 8 HG2 LYS 8 11.268 -2.878 1.826
48 HG3 LYS 8 HG1 LYS 8 10.467 -2.055 3.165
49 HD2 LYS 8 HD2 LYS 8 9.236 -2.666 0.460
50 HD3 LYS 8 HD1 LYS 8 8.868 -3.491 1.975
51 HE2 LYS 8 HE2 LYS 8 7.136 -1.874 1.685
52 HE3 LYS 8 HE1 LYS 8 8.217 -1.204 2.907
53 HZ1 LYS 8 HZ1 LYS 8 7.461 -0.018 0.544
54 HZ2 LYS 8 HZ2 LYS 8 9.068 -0.506 0.288
55 HZ3 LYS 8 HZ3 LYS 8 8.683 0.506 1.598
56 H ALA 9 HN ALA 9 12.609 1.934 2.377
57 HA ALA 9 HA ALA 9 12.986 2.941 -0.342
58 HB1 ALA 9 HB1 ALA 9 13.659 4.798 1.815
59 HB2 ALA 9 HB2 ALA 9 12.086 4.037 2.057
60 HB3 ALA 9 HB3 ALA 9 12.414 4.931 0.573
61 H ALA 10 HN ALA 10 14.992 2.825 2.620
62 HA ALA 10 HA ALA 10 17.362 3.846 1.394
63 HB1 ALA 10 HB1 ALA 10 16.609 2.968 3.950
64 HB2 ALA 10 HB2 ALA 10 18.175 3.634 3.489
65 HB3 ALA 10 HB3 ALA 10 17.920 1.889 3.473
66 H CGU 11 HN GLA 11 16.007 0.589 1.612
67 HA CGU 11 HA GLA 11 18.366 -0.734 0.568
68 HB2 CGU 11 HB1 GLA 11 15.476 -1.519 0.930
69 HB3 CGU 11 HB2 GLA 11 16.906 -2.233 1.676
70 HG CGU 11 HG GLA 11 17.559 -2.898 -0.759
71 H PHE 12 HN PHE 12 15.234 0.153 -0.928
72 HA PHE 12 HA PHE 12 15.791 -0.657 -3.582
73 HB2 PHE 12 HB2 PHE 12 13.614 0.443 -3.185
74 HB3 PHE 12 HB1 PHE 12 14.431 1.993 -2.788
75 HD1 PHE 12 HD1 PHE 12 15.973 3.020 -4.663
76 HD2 PHE 12 HD2 PHE 12 13.020 -0.016 -5.444
77 HE1 PHE 12 HE1 PHE 12 15.980 3.614 -7.056
78 HE2 PHE 12 HE2 PHE 12 13.038 0.593 -7.834
79 HZ PHE 12 HZ PHE 12 14.515 2.406 -8.644
80 H ALA 13 HN ALA 13 17.185 1.997 -1.770
81 HA ALA 13 HA ALA 13 18.490 3.305 -3.982
82 HB1 ALA 13 HB1 ALA 13 19.618 3.165 -1.173
83 HB2 ALA 13 HB2 ALA 13 18.268 4.218 -1.596
84 HB3 ALA 13 HB3 ALA 13 19.837 4.444 -2.367
85 H ARG 14 HN ARG 14 19.864 0.981 -1.591
86 HA ARG 14 HA ARG 14 22.377 0.614 -2.709
87 HB2 ARG 14 HB2 ARG 14 20.491 -1.331 -1.386
88 HB3 ARG 14 HB1 ARG 14 22.057 -1.875 -1.988
89 HG2 ARG 14 HG2 ARG 14 22.132 -1.191 0.414
90 HG3 ARG 14 HG1 ARG 14 23.209 -0.232 -0.602
91 HD2 ARG 14 HD2 ARG 14 21.583 1.578 -0.696
92 HD3 ARG 14 HD1 ARG 14 20.410 0.611 0.198
93 HE ARG 14 HE ARG 14 22.484 2.173 1.385
94 HH11 ARG 14 HH11 ARG 14 23.931 0.157 2.461
95 HH12 ARG 14 HH12 ARG 14 22.991 -0.559 3.728
96 HH21 ARG 14 HH21 ARG 14 19.992 0.785 2.623
97 HH22 ARG 14 HH22 ARG 14 20.761 -0.205 3.818
98 H CGU 15 HN GLA 15 19.325 -0.853 -3.832
99 HA CGU 15 HA GLA 15 20.569 -2.491 -5.871
100 HB2 CGU 15 HB1 GLA 15 18.419 -2.994 -6.604
101 HB3 CGU 15 HB2 GLA 15 17.804 -1.377 -6.271
102 HG CGU 15 HG GLA 15 17.651 -1.811 -3.938
103 H LEU 16 HN LEU 16 19.249 0.810 -5.877
104 HA LEU 16 HA LEU 16 19.392 1.372 -8.626
105 HB2 LEU 16 HB2 LEU 16 18.566 2.897 -6.751
106 HB3 LEU 16 HB1 LEU 16 20.256 3.316 -6.470
107 HG LEU 16 HG LEU 16 18.937 3.563 -9.183
108 HD11 LEU 16 HD11 LEU 16 17.708 5.113 -7.917
109 HD12 LEU 16 HD12 LEU 16 19.052 6.086 -8.515
110 HD13 LEU 16 HD13 LEU 16 19.073 5.476 -6.861
111 HD21 LEU 16 HD21 LEU 16 21.607 4.070 -8.032
112 HD22 LEU 16 HD22 LEU 16 20.970 5.404 -8.991
113 HD23 LEU 16 HD23 LEU 16 21.138 3.804 -9.712
114 H ALA 17 HN ALA 17 21.987 1.404 -6.198
115 HA ALA 17 HA ALA 17 24.019 2.404 -7.978
116 HB1 ALA 17 HB1 ALA 17 23.997 2.178 -5.358
117 HB2 ALA 17 HB2 ALA 17 25.518 2.008 -6.233
118 HB3 ALA 17 HB3 ALA 17 24.653 0.573 -5.681
119 H ASN 18 HN ASN 18 22.843 -0.838 -7.201
120 HA ASN 18 HA ASN 18 24.977 -2.243 -8.577
121 HB2 ASN 18 HB2 ASN 18 22.219 -3.417 -8.398
122 HB3 ASN 18 HB1 ASN 18 23.786 -4.184 -8.143
123 HD21 ASN 18 HD21 ASN 18 24.325 -1.496 -6.475
124 HD22 ASN 18 HD22 ASN 18 23.676 -1.916 -4.936
125 H TYR 19 HN TYR 19 22.526 -0.262 -9.757
126 HA TYR 19 HA TYR 19 22.161 -1.753 -12.273
127 HB2 TYR 19 HB2 TYR 19 20.174 -0.670 -11.732
128 HB3 TYR 19 HB1 TYR 19 21.005 0.734 -11.061
129 HD1 TYR 19 HD1 TYR 19 22.349 2.213 -12.699
130 HD2 TYR 19 HD2 TYR 19 19.375 -0.625 -13.939
131 HE1 TYR 19 HE1 TYR 19 22.137 3.387 -14.875
132 HE2 TYR 19 HE2 TYR 19 19.160 0.548 -16.115
133 HH TYR 19 HH TYR 19 21.109 3.452 -16.834
134 HN1 NH2 20 H1 NH2 20 24.049 0.966 -11.023
135 HN2 NH2 20 H2 NH2 20 24.865 1.309 -12.502
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 2.474 1.495 7.462
2 H2 GLY 1 HT2 GLY 1 2.697 2.245 8.970
3 H3 GLY 1 HT3 GLY 1 3.667 0.924 8.524
4 HA2 GLY 1 HA1 GLY 1 4.780 2.168 6.861
5 HA3 GLY 1 HA2 GLY 1 3.644 3.502 7.059
6 H GLU 2 HN GLU 2 6.615 2.211 8.092
7 HA GLU 2 HA GLU 2 7.189 4.492 9.754
8 HB2 GLU 2 HB2 GLU 2 5.696 3.224 11.304
9 HB3 GLU 2 HB1 GLU 2 6.810 1.859 11.214
10 HG2 GLU 2 HG2 GLU 2 8.636 3.348 12.049
11 HG3 GLU 2 HG1 GLU 2 7.448 4.637 12.248
12 H CGU 3 HN GLA 3 8.450 1.509 10.932
13 HA CGU 3 HA GLA 3 11.111 2.191 9.894
14 HB2 CGU 3 HB1 GLA 3 10.176 -0.229 11.474
15 HB3 CGU 3 HB2 GLA 3 10.813 1.257 12.170
16 HG CGU 3 HG GLA 3 12.299 -0.592 10.279
17 H CGU 4 HN GLA 4 8.511 0.036 9.047
18 HA CGU 4 HA GLA 4 10.129 -1.731 7.387
19 HB2 CGU 4 HB1 GLA 4 7.988 -2.606 6.590
20 HB3 CGU 4 HB2 GLA 4 7.133 -1.228 7.288
21 HG CGU 4 HG GLA 4 8.898 -2.881 9.048
22 H LEU 5 HN LEU 5 8.600 1.332 7.037
23 HA LEU 5 HA LEU 5 8.625 1.322 4.113
24 HB2 LEU 5 HB2 LEU 5 6.917 2.695 5.059
25 HB3 LEU 5 HB1 LEU 5 8.013 3.355 6.269
26 HG LEU 5 HG LEU 5 9.256 4.529 4.477
27 HD11 LEU 5 HD11 LEU 5 7.506 4.591 2.338
28 HD12 LEU 5 HD12 LEU 5 7.459 2.895 2.819
29 HD13 LEU 5 HD13 LEU 5 8.996 3.650 2.395
30 HD21 LEU 5 HD21 LEU 5 6.974 5.852 3.741
31 HD22 LEU 5 HD22 LEU 5 7.810 6.093 5.275
32 HD23 LEU 5 HD23 LEU 5 6.431 4.996 5.184
33 H ALA 6 HN ALA 6 10.789 2.072 6.701
34 HA ALA 6 HA ALA 6 12.545 3.738 5.010
35 HB1 ALA 6 HB1 ALA 6 12.181 3.783 7.674
36 HB2 ALA 6 HB2 ALA 6 13.708 4.260 6.932
37 HB3 ALA 6 HB3 ALA 6 13.525 2.642 7.609
38 H CGU 7 HN GLA 7 12.294 0.407 6.089
39 HA CGU 7 HA GLA 7 14.998 -0.297 5.266
40 HB2 CGU 7 HB1 GLA 7 14.220 -2.641 5.582
41 HB3 CGU 7 HB2 GLA 7 12.588 -2.049 5.850
42 HG CGU 7 HG GLA 7 13.424 -0.698 7.769
43 H LYS 8 HN LYS 8 11.825 -0.226 3.714
44 HA LYS 8 HA LYS 8 12.747 -1.752 1.396
45 HB2 LYS 8 HB2 LYS 8 10.234 -0.362 2.203
46 HB3 LYS 8 HB1 LYS 8 10.517 -0.575 0.475
47 HG2 LYS 8 HG2 LYS 8 9.264 -2.483 1.463
48 HG3 LYS 8 HG1 LYS 8 10.817 -2.984 0.791
49 HD2 LYS 8 HD2 LYS 8 11.824 -2.885 3.044
50 HD3 LYS 8 HD1 LYS 8 10.270 -2.393 3.716
51 HE2 LYS 8 HE2 LYS 8 10.632 -4.819 4.006
52 HE3 LYS 8 HE1 LYS 8 9.259 -4.506 2.944
53 HZ1 LYS 8 HZ1 LYS 8 10.301 -5.862 1.534
54 HZ2 LYS 8 HZ2 LYS 8 11.778 -5.765 2.367
55 HZ3 LYS 8 HZ3 LYS 8 11.355 -4.567 1.237
56 H ALA 9 HN ALA 9 12.413 1.666 2.265
57 HA ALA 9 HA ALA 9 12.986 2.619 -0.421
58 HB1 ALA 9 HB1 ALA 9 12.050 4.413 0.587
59 HB2 ALA 9 HB2 ALA 9 13.624 4.679 1.337
60 HB3 ALA 9 HB3 ALA 9 12.380 3.769 2.195
61 H ALA 10 HN ALA 10 14.888 2.658 2.623
62 HA ALA 10 HA ALA 10 17.306 3.574 1.476
63 HB1 ALA 10 HB1 ALA 10 18.408 2.686 3.446
64 HB2 ALA 10 HB2 ALA 10 17.057 1.596 3.759
65 HB3 ALA 10 HB3 ALA 10 16.844 3.337 3.937
66 H CGU 11 HN GLA 11 15.860 0.370 1.501
67 HA CGU 11 HA GLA 11 18.289 -0.953 0.570
68 HB2 CGU 11 HB1 GLA 11 15.399 -1.814 0.804
69 HB3 CGU 11 HB2 GLA 11 16.789 -2.409 1.720
70 HG CGU 11 HG GLA 11 17.670 -3.089 -0.686
71 H PHE 12 HN PHE 12 15.151 -0.202 -1.015
72 HA PHE 12 HA PHE 12 15.819 -1.053 -3.627
73 HB2 PHE 12 HB2 PHE 12 13.593 -0.033 -3.336
74 HB3 PHE 12 HB1 PHE 12 14.331 1.560 -2.948
75 HD1 PHE 12 HD1 PHE 12 14.711 -1.067 -5.678
76 HD2 PHE 12 HD2 PHE 12 14.286 3.109 -4.717
77 HE1 PHE 12 HE1 PHE 12 14.777 -0.498 -8.078
78 HE2 PHE 12 HE2 PHE 12 14.354 3.661 -7.120
79 HZ PHE 12 HZ PHE 12 14.598 1.862 -8.803
80 H ALA 13 HN ALA 13 17.045 1.719 -1.865
81 HA ALA 13 HA ALA 13 18.390 2.983 -4.083
82 HB1 ALA 13 HB1 ALA 13 19.492 4.325 -2.507
83 HB2 ALA 13 HB2 ALA 13 19.541 3.043 -1.299
84 HB3 ALA 13 HB3 ALA 13 18.025 3.876 -1.640
85 H ARG 14 HN ARG 14 19.706 0.773 -1.552
86 HA ARG 14 HA ARG 14 22.292 0.461 -2.499
87 HB2 ARG 14 HB2 ARG 14 20.540 -1.844 -1.589
88 HB3 ARG 14 HB1 ARG 14 22.296 -1.739 -1.475
89 HG2 ARG 14 HG2 ARG 14 20.493 0.281 -0.133
90 HG3 ARG 14 HG1 ARG 14 20.963 -1.220 0.663
91 HD2 ARG 14 HD2 ARG 14 23.336 -0.641 0.404
92 HD3 ARG 14 HD1 ARG 14 22.896 0.841 -0.443
93 HE ARG 14 HE ARG 14 22.652 1.797 1.685
94 HH11 ARG 14 HH11 ARG 14 20.974 1.710 3.401
95 HH12 ARG 14 HH12 ARG 14 20.968 0.268 4.359
96 HH21 ARG 14 HH21 ARG 14 23.037 -1.491 2.199
97 HH22 ARG 14 HH22 ARG 14 22.134 -1.547 3.677
98 H CGU 15 HN GLA 15 19.375 -1.192 -3.742
99 HA CGU 15 HA GLA 15 20.934 -2.599 -5.793
100 HB2 CGU 15 HB1 GLA 15 18.957 -3.647 -6.397
101 HB3 CGU 15 HB2 GLA 15 17.969 -2.225 -6.071
102 HG CGU 15 HG GLA 15 18.009 -2.614 -3.724
103 H LEU 16 HN LEU 16 19.474 0.514 -5.473
104 HA LEU 16 HA LEU 16 19.078 1.017 -8.303
105 HB2 LEU 16 HB2 LEU 16 18.056 2.263 -6.256
106 HB3 LEU 16 HB1 LEU 16 19.566 3.174 -6.259
107 HG LEU 16 HG LEU 16 17.872 2.845 -8.743
108 HD11 LEU 16 HD11 LEU 16 17.236 4.339 -6.390
109 HD12 LEU 16 HD12 LEU 16 16.385 4.324 -7.934
110 HD13 LEU 16 HD13 LEU 16 17.684 5.484 -7.655
111 HD21 LEU 16 HD21 LEU 16 19.245 5.263 -8.788
112 HD22 LEU 16 HD22 LEU 16 19.733 3.788 -9.623
113 HD23 LEU 16 HD23 LEU 16 20.391 4.159 -8.030
114 H ALA 17 HN ALA 17 21.741 1.507 -6.023
115 HA ALA 17 HA ALA 17 23.340 3.072 -7.875
116 HB1 ALA 17 HB1 ALA 17 23.538 2.902 -5.280
117 HB2 ALA 17 HB2 ALA 17 25.020 3.015 -6.229
118 HB3 ALA 17 HB3 ALA 17 24.488 1.452 -5.610
119 H ASN 18 HN ASN 18 23.043 -0.353 -7.082
120 HA ASN 18 HA ASN 18 25.383 -1.216 -8.554
121 HB2 ASN 18 HB2 ASN 18 22.971 -2.990 -8.331
122 HB3 ASN 18 HB1 ASN 18 24.677 -3.381 -8.116
123 HD21 ASN 18 HD21 ASN 18 24.626 -0.662 -6.411
124 HD22 ASN 18 HD22 ASN 18 24.119 -1.240 -4.869
125 H TYR 19 HN TYR 19 22.272 -0.115 -9.548
126 HA TYR 19 HA TYR 19 22.631 -1.321 -12.243
127 HB2 TYR 19 HB2 TYR 19 20.421 -1.713 -11.629
128 HB3 TYR 19 HB1 TYR 19 20.299 -0.206 -10.725
129 HD1 TYR 19 HD1 TYR 19 20.406 1.998 -12.066
130 HD2 TYR 19 HD2 TYR 19 19.642 -1.837 -13.838
131 HE1 TYR 19 HE1 TYR 19 19.414 3.113 -14.049
132 HE2 TYR 19 HE2 TYR 19 18.651 -0.723 -15.824
133 HH TYR 19 HH TYR 19 18.672 1.389 -16.944
134 HN1 NH2 20 H1 NH2 20 22.913 1.694 -10.509
135 HN2 NH2 20 H2 NH2 20 23.157 2.697 -11.889
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 8.376 2.567 14.489
2 H2 GLY 1 HT2 GLY 1 7.388 1.746 13.376
3 H3 GLY 1 HT3 GLY 1 6.777 2.177 14.900
4 HA2 GLY 1 HA1 GLY 1 5.873 3.846 13.671
5 HA3 GLY 1 HA2 GLY 1 7.414 4.580 14.113
6 H GLU 2 HN GLU 2 5.723 2.831 11.537
7 HA GLU 2 HA GLU 2 6.228 2.633 9.249
8 HB2 GLU 2 HB2 GLU 2 7.018 5.480 9.904
9 HB3 GLU 2 HB1 GLU 2 7.005 4.852 8.255
10 HG2 GLU 2 HG2 GLU 2 4.627 4.254 8.487
11 HG3 GLU 2 HG1 GLU 2 4.631 4.858 10.143
12 H CGU 3 HN GLA 3 8.184 1.414 10.776
13 HA CGU 3 HA GLA 3 10.823 2.386 9.847
14 HB2 CGU 3 HB1 GLA 3 10.059 -0.072 11.464
15 HB3 CGU 3 HB2 GLA 3 10.593 1.466 12.135
16 HG CGU 3 HG GLA 3 12.214 -0.284 10.256
17 H CGU 4 HN GLA 4 8.410 0.034 9.004
18 HA CGU 4 HA GLA 4 10.143 -1.657 7.425
19 HB2 CGU 4 HB1 GLA 4 7.120 -1.315 7.492
20 HB3 CGU 4 HB2 GLA 4 8.059 -2.576 8.294
21 HG CGU 4 HG GLA 4 7.987 -2.121 5.319
22 H LEU 5 HN LEU 5 8.354 1.304 6.881
23 HA LEU 5 HA LEU 5 8.517 1.137 3.977
24 HB2 LEU 5 HB2 LEU 5 7.861 3.430 5.859
25 HB3 LEU 5 HB1 LEU 5 7.844 3.567 4.109
26 HG LEU 5 HG LEU 5 5.604 3.048 5.291
27 HD11 LEU 5 HD11 LEU 5 6.418 1.091 3.135
28 HD12 LEU 5 HD12 LEU 5 6.175 2.806 2.808
29 HD13 LEU 5 HD13 LEU 5 4.835 1.822 3.398
30 HD21 LEU 5 HD21 LEU 5 6.637 1.233 6.721
31 HD22 LEU 5 HD22 LEU 5 6.773 0.252 5.260
32 HD23 LEU 5 HD23 LEU 5 5.185 0.741 5.849
33 H ALA 6 HN ALA 6 10.529 2.303 6.571
34 HA ALA 6 HA ALA 6 12.223 3.926 4.803
35 HB1 ALA 6 HB1 ALA 6 13.165 4.717 6.712
36 HB2 ALA 6 HB2 ALA 6 13.412 3.098 7.366
37 HB3 ALA 6 HB3 ALA 6 11.845 3.889 7.540
38 H CGU 7 HN GLA 7 12.107 0.620 5.897
39 HA CGU 7 HA GLA 7 14.886 0.059 5.168
40 HB2 CGU 7 HB1 GLA 7 14.230 -2.322 5.533
41 HB3 CGU 7 HB2 GLA 7 12.572 -1.803 5.793
42 HG CGU 7 HG GLA 7 13.485 -0.268 7.624
43 H LYS 8 HN LYS 8 11.745 -0.042 3.582
44 HA LYS 8 HA LYS 8 12.711 -1.636 1.333
45 HB2 LYS 8 HB2 LYS 8 10.205 -0.041 1.852
46 HB3 LYS 8 HB1 LYS 8 10.541 -0.713 0.260
47 HG2 LYS 8 HG2 LYS 8 10.858 -2.960 1.388
48 HG3 LYS 8 HG1 LYS 8 10.236 -2.223 2.866
49 HD2 LYS 8 HD2 LYS 8 8.162 -1.589 1.663
50 HD3 LYS 8 HD1 LYS 8 8.777 -2.384 0.213
51 HE2 LYS 8 HE2 LYS 8 8.878 -4.529 1.423
52 HE3 LYS 8 HE1 LYS 8 8.274 -3.737 2.880
53 HZ1 LYS 8 HZ1 LYS 8 6.865 -4.465 0.439
54 HZ2 LYS 8 HZ2 LYS 8 6.423 -2.988 1.154
55 HZ3 LYS 8 HZ3 LYS 8 6.312 -4.431 2.042
56 H ALA 9 HN ALA 9 12.499 1.792 2.129
57 HA ALA 9 HA ALA 9 13.113 2.648 -0.600
58 HB1 ALA 9 HB1 ALA 9 13.495 4.887 0.598
59 HB2 ALA 9 HB2 ALA 9 12.965 4.066 2.067
60 HB3 ALA 9 HB3 ALA 9 11.867 4.216 0.696
61 H ALA 10 HN ALA 10 14.878 2.733 2.515
62 HA ALA 10 HA ALA 10 17.369 3.579 1.478
63 HB1 ALA 10 HB1 ALA 10 18.308 2.308 3.511
64 HB2 ALA 10 HB2 ALA 10 16.633 1.886 3.868
65 HB3 ALA 10 HB3 ALA 10 17.130 3.578 3.841
66 H CGU 11 HN GLA 11 15.900 0.369 1.566
67 HA CGU 11 HA GLA 11 18.347 -0.984 0.743
68 HB2 CGU 11 HB1 GLA 11 15.443 -1.814 0.893
69 HB3 CGU 11 HB2 GLA 11 16.799 -2.420 1.850
70 HG CGU 11 HG GLA 11 17.742 -3.156 -0.501
71 H PHE 12 HN PHE 12 15.280 -0.256 -0.981
72 HA PHE 12 HA PHE 12 16.081 -1.126 -3.553
73 HB2 PHE 12 HB2 PHE 12 13.828 -0.137 -3.378
74 HB3 PHE 12 HB1 PHE 12 14.521 1.471 -2.971
75 HD1 PHE 12 HD1 PHE 12 15.302 -1.145 -5.614
76 HD2 PHE 12 HD2 PHE 12 14.322 2.966 -4.789
77 HE1 PHE 12 HE1 PHE 12 15.488 -0.610 -8.013
78 HE2 PHE 12 HE2 PHE 12 14.513 3.483 -7.192
79 HZ PHE 12 HZ PHE 12 15.096 1.701 -8.807
80 H ALA 13 HN ALA 13 17.177 1.688 -1.758
81 HA ALA 13 HA ALA 13 18.599 2.990 -3.885
82 HB1 ALA 13 HB1 ALA 13 20.031 3.119 -1.341
83 HB2 ALA 13 HB2 ALA 13 18.309 3.439 -1.136
84 HB3 ALA 13 HB3 ALA 13 19.261 4.417 -2.255
85 H ARG 14 HN ARG 14 19.851 0.709 -1.399
86 HA ARG 14 HA ARG 14 22.443 0.367 -2.313
87 HB2 ARG 14 HB2 ARG 14 20.595 -1.876 -1.441
88 HB3 ARG 14 HB1 ARG 14 22.358 -1.890 -1.373
89 HG2 ARG 14 HG2 ARG 14 20.614 0.103 0.102
90 HG3 ARG 14 HG1 ARG 14 21.285 -1.357 0.830
91 HD2 ARG 14 HD2 ARG 14 23.579 -0.507 0.078
92 HD3 ARG 14 HD1 ARG 14 22.787 1.032 -0.260
93 HE ARG 14 HE ARG 14 22.982 1.426 2.046
94 HH11 ARG 14 HH11 ARG 14 21.384 0.605 3.782
95 HH12 ARG 14 HH12 ARG 14 21.809 -0.955 4.404
96 HH21 ARG 14 HH21 ARG 14 24.001 -1.683 1.816
97 HH22 ARG 14 HH22 ARG 14 23.294 -2.251 3.292
98 H CGU 15 HN GLA 15 19.516 -1.213 -3.612
99 HA CGU 15 HA GLA 15 21.077 -2.595 -5.685
100 HB2 CGU 15 HB1 GLA 15 19.124 -3.689 -6.244
101 HB3 CGU 15 HB2 GLA 15 18.114 -2.273 -5.961
102 HG CGU 15 HG GLA 15 18.159 -2.601 -3.597
103 H LEU 16 HN LEU 16 19.356 0.418 -5.338
104 HA LEU 16 HA LEU 16 18.963 1.021 -8.110
105 HB2 LEU 16 HB2 LEU 16 17.987 2.257 -6.106
106 HB3 LEU 16 HB1 LEU 16 19.560 3.032 -5.925
107 HG LEU 16 HG LEU 16 18.038 3.074 -8.539
108 HD11 LEU 16 HD11 LEU 16 17.954 5.066 -6.254
109 HD12 LEU 16 HD12 LEU 16 16.602 4.115 -6.869
110 HD13 LEU 16 HD13 LEU 16 17.322 5.373 -7.872
111 HD21 LEU 16 HD21 LEU 16 20.571 4.147 -7.506
112 HD22 LEU 16 HD22 LEU 16 19.560 5.375 -8.265
113 HD23 LEU 16 HD23 LEU 16 20.036 3.941 -9.174
114 H ALA 17 HN ALA 17 21.727 1.422 -5.941
115 HA ALA 17 HA ALA 17 23.288 2.969 -7.839
116 HB1 ALA 17 HB1 ALA 17 23.505 2.342 -5.139
117 HB2 ALA 17 HB2 ALA 17 24.716 3.190 -6.100
118 HB3 ALA 17 HB3 ALA 17 24.832 1.444 -5.877
119 H ASN 18 HN ASN 18 22.841 -0.449 -7.164
120 HA ASN 18 HA ASN 18 25.155 -1.282 -8.759
121 HB2 ASN 18 HB2 ASN 18 22.868 -3.153 -8.278
122 HB3 ASN 18 HB1 ASN 18 24.603 -3.442 -8.163
123 HD21 ASN 18 HD21 ASN 18 24.574 -0.703 -6.531
124 HD22 ASN 18 HD22 ASN 18 24.167 -1.243 -4.948
125 H TYR 19 HN TYR 19 22.527 0.294 -9.728
126 HA TYR 19 HA TYR 19 21.903 -1.410 -12.069
127 HB2 TYR 19 HB2 TYR 19 19.907 -0.511 -11.279
128 HB3 TYR 19 HB1 TYR 19 20.667 1.001 -10.785
129 HD1 TYR 19 HD1 TYR 19 19.225 2.535 -11.935
130 HD2 TYR 19 HD2 TYR 19 21.157 -0.654 -14.064
131 HE1 TYR 19 HE1 TYR 19 18.563 3.573 -14.090
132 HE2 TYR 19 HE2 TYR 19 20.495 0.382 -16.221
133 HH TYR 19 HH TYR 19 18.464 3.301 -16.307
134 HN1 NH2 20 H1 NH2 20 22.867 2.032 -11.491
135 HN2 NH2 20 H2 NH2 20 23.736 2.184 -12.970
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 3.763 2.329 13.511
2 H2 GLY 1 HT2 GLY 1 4.511 3.631 12.717
3 H3 GLY 1 HT3 GLY 1 5.366 2.185 12.974
4 HA2 GLY 1 HA1 GLY 1 4.194 1.028 11.367
5 HA3 GLY 1 HA2 GLY 1 2.877 2.201 11.391
6 H GLU 2 HN GLU 2 6.435 2.424 10.997
7 HA GLU 2 HA GLU 2 6.206 3.368 8.263
8 HB2 GLU 2 HB2 GLU 2 5.467 5.364 9.690
9 HB3 GLU 2 HB1 GLU 2 7.129 5.427 10.276
10 HG2 GLU 2 HG2 GLU 2 7.959 5.694 7.988
11 HG3 GLU 2 HG1 GLU 2 6.317 5.557 7.357
12 H CGU 3 HN GLA 3 7.870 2.082 10.828
13 HA CGU 3 HA GLA 3 10.588 2.858 10.042
14 HB2 CGU 3 HB1 GLA 3 9.614 0.604 11.831
15 HB3 CGU 3 HB2 GLA 3 10.053 2.220 12.373
16 HG CGU 3 HG GLA 3 11.913 0.301 10.935
17 H CGU 4 HN GLA 4 8.295 0.407 9.175
18 HA CGU 4 HA GLA 4 10.291 -1.379 7.974
19 HB2 CGU 4 HB1 GLA 4 8.445 -2.749 7.342
20 HB3 CGU 4 HB2 GLA 4 7.312 -1.400 7.442
21 HG CGU 4 HG GLA 4 8.869 -2.388 9.831
22 H LEU 5 HN LEU 5 8.390 1.343 7.072
23 HA LEU 5 HA LEU 5 8.526 0.930 4.200
24 HB2 LEU 5 HB2 LEU 5 6.763 2.375 4.786
25 HB3 LEU 5 HB1 LEU 5 7.711 3.159 6.047
26 HG LEU 5 HG LEU 5 9.052 4.321 4.368
27 HD11 LEU 5 HD11 LEU 5 7.885 2.313 2.628
28 HD12 LEU 5 HD12 LEU 5 9.248 3.387 2.321
29 HD13 LEU 5 HD13 LEU 5 7.605 3.930 1.983
30 HD21 LEU 5 HD21 LEU 5 6.397 4.810 4.984
31 HD22 LEU 5 HD22 LEU 5 6.415 4.898 3.223
32 HD23 LEU 5 HD23 LEU 5 7.479 5.939 4.169
33 H ALA 6 HN ALA 6 10.456 2.654 6.611
34 HA ALA 6 HA ALA 6 12.177 3.957 4.671
35 HB1 ALA 6 HB1 ALA 6 13.190 4.910 6.472
36 HB2 ALA 6 HB2 ALA 6 13.403 3.361 7.287
37 HB3 ALA 6 HB3 ALA 6 11.860 4.208 7.394
38 H CGU 7 HN GLA 7 12.384 0.908 6.496
39 HA CGU 7 HA GLA 7 15.027 0.228 5.640
40 HB2 CGU 7 HB1 GLA 7 14.440 -2.077 6.281
41 HB3 CGU 7 HB2 GLA 7 12.740 -1.631 6.363
42 HG CGU 7 HG GLA 7 13.320 0.067 8.108
43 H LYS 8 HN LYS 8 11.896 -0.032 4.049
44 HA LYS 8 HA LYS 8 12.858 -1.844 1.981
45 HB2 LYS 8 HB2 LYS 8 10.415 -0.065 2.156
46 HB3 LYS 8 HB1 LYS 8 10.747 -1.112 0.782
47 HG2 LYS 8 HG2 LYS 8 10.734 -2.217 3.585
48 HG3 LYS 8 HG1 LYS 8 9.230 -2.033 2.682
49 HD2 LYS 8 HD2 LYS 8 10.236 -3.376 0.824
50 HD3 LYS 8 HD1 LYS 8 11.655 -3.647 1.834
51 HE2 LYS 8 HE2 LYS 8 10.101 -5.546 2.011
52 HE3 LYS 8 HE1 LYS 8 10.226 -4.701 3.554
53 HZ1 LYS 8 HZ1 LYS 8 8.215 -3.416 2.839
54 HZ2 LYS 8 HZ2 LYS 8 7.945 -5.062 3.160
55 HZ3 LYS 8 HZ3 LYS 8 8.046 -4.512 1.556
56 H ALA 9 HN ALA 9 12.840 1.622 2.477
57 HA ALA 9 HA ALA 9 13.502 2.213 -0.320
58 HB1 ALA 9 HB1 ALA 9 13.982 4.524 0.662
59 HB2 ALA 9 HB2 ALA 9 13.447 3.875 2.212
60 HB3 ALA 9 HB3 ALA 9 12.327 3.946 0.851
61 H ALA 10 HN ALA 10 15.189 1.785 2.752
62 HA ALA 10 HA ALA 10 17.759 2.708 1.887
63 HB1 ALA 10 HB1 ALA 10 18.531 1.910 3.909
64 HB2 ALA 10 HB2 ALA 10 17.592 0.422 3.799
65 HB3 ALA 10 HB3 ALA 10 16.806 1.927 4.272
66 H CGU 11 HN GLA 11 16.018 -0.307 1.432
67 HA CGU 11 HA GLA 11 18.398 -1.697 0.413
68 HB2 CGU 11 HB1 GLA 11 15.461 -2.437 0.537
69 HB3 CGU 11 HB2 GLA 11 16.791 -3.152 1.455
70 HG CGU 11 HG GLA 11 17.709 -3.626 -1.026
71 H PHE 12 HN PHE 12 15.264 -0.680 -1.061
72 HA PHE 12 HA PHE 12 15.918 -1.228 -3.744
73 HB2 PHE 12 HB2 PHE 12 14.618 1.428 -2.942
74 HB3 PHE 12 HB1 PHE 12 14.374 0.496 -4.445
75 HD1 PHE 12 HD1 PHE 12 14.120 -2.309 -3.247
76 HD2 PHE 12 HD2 PHE 12 12.387 1.438 -2.027
77 HE1 PHE 12 HE1 PHE 12 12.239 -3.510 -2.203
78 HE2 PHE 12 HE2 PHE 12 10.510 0.221 -0.985
79 HZ PHE 12 HZ PHE 12 10.433 -2.252 -1.073
80 H ALA 13 HN ALA 13 17.196 1.251 -1.630
81 HA ALA 13 HA ALA 13 18.530 2.803 -3.674
82 HB1 ALA 13 HB1 ALA 13 20.052 3.526 -1.770
83 HB2 ALA 13 HB2 ALA 13 19.145 2.433 -0.725
84 HB3 ALA 13 HB3 ALA 13 18.333 3.800 -1.487
85 H ARG 14 HN ARG 14 19.839 0.288 -1.452
86 HA ARG 14 HA ARG 14 22.412 0.054 -2.431
87 HB2 ARG 14 HB2 ARG 14 20.589 -2.278 -1.764
88 HB3 ARG 14 HB1 ARG 14 22.352 -2.274 -1.698
89 HG2 ARG 14 HG2 ARG 14 20.620 -0.401 -0.064
90 HG3 ARG 14 HG1 ARG 14 21.214 -1.948 0.541
91 HD2 ARG 14 HD2 ARG 14 22.839 -0.416 1.290
92 HD3 ARG 14 HD1 ARG 14 23.556 -1.083 -0.176
93 HE ARG 14 HE ARG 14 22.063 1.224 -0.906
94 HH11 ARG 14 HH11 ARG 14 25.058 0.089 0.281
95 HH12 ARG 14 HH12 ARG 14 25.805 1.651 0.315
96 HH21 ARG 14 HH21 ARG 14 22.920 3.345 -0.594
97 HH22 ARG 14 HH22 ARG 14 24.595 3.494 -0.180
98 H CGU 15 HN GLA 15 19.483 -1.440 -3.841
99 HA CGU 15 HA GLA 15 21.015 -2.643 -6.031
100 HB2 CGU 15 HB1 GLA 15 19.017 -3.571 -6.759
101 HB3 CGU 15 HB2 GLA 15 18.054 -2.182 -6.260
102 HG CGU 15 HG GLA 15 18.130 -2.842 -3.966
103 H LEU 16 HN LEU 16 19.619 0.455 -5.413
104 HA LEU 16 HA LEU 16 19.188 1.264 -8.144
105 HB2 LEU 16 HB2 LEU 16 18.406 2.404 -5.930
106 HB3 LEU 16 HB1 LEU 16 19.993 3.176 -5.958
107 HG LEU 16 HG LEU 16 18.043 3.241 -8.277
108 HD11 LEU 16 HD11 LEU 16 17.154 4.450 -6.307
109 HD12 LEU 16 HD12 LEU 16 17.599 5.564 -7.599
110 HD13 LEU 16 HD13 LEU 16 18.657 5.368 -6.202
111 HD21 LEU 16 HD21 LEU 16 19.720 5.359 -8.571
112 HD22 LEU 16 HD22 LEU 16 20.025 3.779 -9.292
113 HD23 LEU 16 HD23 LEU 16 20.801 4.218 -7.771
114 H ALA 17 HN ALA 17 21.983 1.431 -5.958
115 HA ALA 17 HA ALA 17 23.666 2.993 -7.662
116 HB1 ALA 17 HB1 ALA 17 24.697 0.806 -5.859
117 HB2 ALA 17 HB2 ALA 17 24.023 2.292 -5.190
118 HB3 ALA 17 HB3 ALA 17 25.441 2.359 -6.237
119 H ASN 18 HN ASN 18 22.822 -0.410 -7.639
120 HA ASN 18 HA ASN 18 24.963 -1.292 -9.391
121 HB2 ASN 18 HB2 ASN 18 22.267 -2.640 -9.378
122 HB3 ASN 18 HB1 ASN 18 23.876 -3.355 -9.455
123 HD21 ASN 18 HD21 ASN 18 24.395 -1.138 -7.157
124 HD22 ASN 18 HD22 ASN 18 23.928 -2.016 -5.751
125 H TYR 19 HN TYR 19 22.267 0.686 -9.949
126 HA TYR 19 HA TYR 19 21.948 -0.120 -12.767
127 HB2 TYR 19 HB2 TYR 19 19.886 0.521 -11.875
128 HB3 TYR 19 HB1 TYR 19 20.591 1.833 -10.929
129 HD1 TYR 19 HD1 TYR 19 20.920 0.910 -14.543
130 HD2 TYR 19 HD2 TYR 19 19.669 3.846 -11.668
131 HE1 TYR 19 HE1 TYR 19 20.426 2.501 -16.384
132 HE2 TYR 19 HE2 TYR 19 19.173 5.438 -13.508
133 HH TYR 19 HH TYR 19 20.303 5.102 -16.581
134 HN1 NH2 20 H1 NH2 20 23.580 2.371 -10.858
135 HN2 NH2 20 H2 NH2 20 24.267 3.203 -12.200
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 5.658 8.465 7.946
2 H2 GLY 1 HT2 GLY 1 5.131 7.136 8.864
3 H3 GLY 1 HT3 GLY 1 6.152 6.897 7.526
4 HA2 GLY 1 HA1 GLY 1 7.995 7.838 8.600
5 HA3 GLY 1 HA2 GLY 1 6.972 8.507 9.871
6 H GLU 2 HN GLU 2 6.909 5.236 8.456
7 HA GLU 2 HA GLU 2 7.074 4.133 11.199
8 HB2 GLU 2 HB2 GLU 2 6.605 2.727 8.550
9 HB3 GLU 2 HB1 GLU 2 6.431 2.009 10.152
10 HG2 GLU 2 HG2 GLU 2 4.853 4.412 9.194
11 HG3 GLU 2 HG1 GLU 2 4.253 2.753 9.148
12 H CGU 3 HN GLA 3 8.272 1.687 10.734
13 HA CGU 3 HA GLA 3 11.063 2.513 10.046
14 HB2 CGU 3 HB1 GLA 3 10.092 0.247 11.819
15 HB3 CGU 3 HB2 GLA 3 10.734 1.786 12.385
16 HG CGU 3 HG GLA 3 12.240 -0.204 10.657
17 H CGU 4 HN GLA 4 8.487 0.300 9.317
18 HA CGU 4 HA GLA 4 10.180 -1.581 7.839
19 HB2 CGU 4 HB1 GLA 4 8.155 -2.710 7.270
20 HB3 CGU 4 HB2 GLA 4 7.182 -1.266 7.549
21 HG CGU 4 HG GLA 4 8.805 -2.558 9.740
22 H LEU 5 HN LEU 5 8.523 1.375 7.227
23 HA LEU 5 HA LEU 5 8.482 1.082 4.320
24 HB2 LEU 5 HB2 LEU 5 6.784 2.532 5.110
25 HB3 LEU 5 HB1 LEU 5 7.855 3.275 6.295
26 HG LEU 5 HG LEU 5 9.108 4.376 4.478
27 HD11 LEU 5 HD11 LEU 5 6.947 3.309 2.640
28 HD12 LEU 5 HD12 LEU 5 8.557 2.601 2.750
29 HD13 LEU 5 HD13 LEU 5 8.361 4.259 2.183
30 HD21 LEU 5 HD21 LEU 5 7.481 6.053 4.023
31 HD22 LEU 5 HD22 LEU 5 7.008 5.356 5.572
32 HD23 LEU 5 HD23 LEU 5 6.155 4.891 4.100
33 H ALA 6 HN ALA 6 10.704 2.221 6.742
34 HA ALA 6 HA ALA 6 12.350 3.693 4.790
35 HB1 ALA 6 HB1 ALA 6 12.807 4.742 6.756
36 HB2 ALA 6 HB2 ALA 6 13.951 3.422 7.001
37 HB3 ALA 6 HB3 ALA 6 12.344 3.339 7.721
38 H CGU 7 HN GLA 7 12.209 0.494 6.195
39 HA CGU 7 HA GLA 7 14.920 -0.224 5.394
40 HB2 CGU 7 HB1 GLA 7 14.238 -2.525 5.993
41 HB3 CGU 7 HB2 GLA 7 12.575 -1.989 6.173
42 HG CGU 7 HG GLA 7 13.425 -0.318 7.894
43 H LYS 8 HN LYS 8 11.712 -0.360 3.928
44 HA LYS 8 HA LYS 8 12.556 -2.127 1.768
45 HB2 LYS 8 HB2 LYS 8 10.096 -0.640 2.515
46 HB3 LYS 8 HB1 LYS 8 10.323 -0.952 0.795
47 HG2 LYS 8 HG2 LYS 8 9.079 -2.791 1.850
48 HG3 LYS 8 HG1 LYS 8 10.650 -3.353 1.278
49 HD2 LYS 8 HD2 LYS 8 11.569 -3.111 3.554
50 HD3 LYS 8 HD1 LYS 8 9.999 -2.547 4.126
51 HE2 LYS 8 HE2 LYS 8 10.584 -5.267 2.923
52 HE3 LYS 8 HE1 LYS 8 10.244 -4.932 4.621
53 HZ1 LYS 8 HZ1 LYS 8 8.112 -3.852 3.632
54 HZ2 LYS 8 HZ2 LYS 8 8.187 -5.533 3.858
55 HZ3 LYS 8 HZ3 LYS 8 8.429 -4.869 2.313
56 H ALA 9 HN ALA 9 12.256 1.380 2.235
57 HA ALA 9 HA ALA 9 12.890 1.962 -0.558
58 HB1 ALA 9 HB1 ALA 9 13.413 4.229 1.067
59 HB2 ALA 9 HB2 ALA 9 11.999 3.429 1.752
60 HB3 ALA 9 HB3 ALA 9 11.994 3.932 0.062
61 H ALA 10 HN ALA 10 14.649 1.970 2.534
62 HA ALA 10 HA ALA 10 17.094 3.052 1.580
63 HB1 ALA 10 HB1 ALA 10 16.415 2.487 4.004
64 HB2 ALA 10 HB2 ALA 10 18.091 2.181 3.552
65 HB3 ALA 10 HB3 ALA 10 16.943 0.845 3.638
66 H CGU 11 HN GLA 11 15.746 -0.204 1.344
67 HA CGU 11 HA GLA 11 18.245 -1.338 0.327
68 HB2 CGU 11 HB1 GLA 11 15.402 -2.384 0.452
69 HB3 CGU 11 HB2 GLA 11 16.791 -2.921 1.405
70 HG CGU 11 HG GLA 11 17.740 -3.338 -1.108
71 H PHE 12 HN PHE 12 15.059 -0.592 -1.195
72 HA PHE 12 HA PHE 12 15.778 -1.178 -3.866
73 HB2 PHE 12 HB2 PHE 12 14.261 1.384 -3.170
74 HB3 PHE 12 HB1 PHE 12 14.083 0.353 -4.620
75 HD1 PHE 12 HD1 PHE 12 14.153 -2.377 -3.112
76 HD2 PHE 12 HD2 PHE 12 11.952 1.252 -2.390
77 HE1 PHE 12 HE1 PHE 12 12.386 -3.665 -1.974
78 HE2 PHE 12 HE2 PHE 12 10.193 -0.051 -1.253
79 HZ PHE 12 HZ PHE 12 10.405 -2.509 -1.043
80 H ALA 13 HN ALA 13 16.861 1.430 -1.807
81 HA ALA 13 HA ALA 13 18.005 3.070 -3.901
82 HB1 ALA 13 HB1 ALA 13 19.035 4.323 -2.204
83 HB2 ALA 13 HB2 ALA 13 19.216 2.924 -1.146
84 HB3 ALA 13 HB3 ALA 13 17.628 3.658 -1.374
85 H ARG 14 HN ARG 14 19.625 0.788 -1.629
86 HA ARG 14 HA ARG 14 22.181 0.821 -2.706
87 HB2 ARG 14 HB2 ARG 14 20.542 -1.329 -1.428
88 HB3 ARG 14 HB1 ARG 14 22.047 -1.806 -2.215
89 HG2 ARG 14 HG2 ARG 14 22.614 -1.313 0.056
90 HG3 ARG 14 HG1 ARG 14 23.179 0.057 -0.898
91 HD2 ARG 14 HD2 ARG 14 21.151 1.319 -0.318
92 HD3 ARG 14 HD1 ARG 14 20.548 -0.057 0.608
93 HE ARG 14 HE ARG 14 23.155 0.697 1.557
94 HH11 ARG 14 HH11 ARG 14 23.323 2.052 3.367
95 HH12 ARG 14 HH12 ARG 14 21.883 2.728 4.054
96 HH21 ARG 14 HH21 ARG 14 19.785 1.389 1.638
97 HH22 ARG 14 HH22 ARG 14 19.880 2.356 3.072
98 H CGU 15 HN GLA 15 19.358 -0.903 -4.020
99 HA CGU 15 HA GLA 15 20.801 -2.330 -6.069
100 HB2 CGU 15 HB1 GLA 15 18.727 -2.890 -6.983
101 HB3 CGU 15 HB2 GLA 15 17.991 -1.351 -6.549
102 HG CGU 15 HG GLA 15 17.793 -1.989 -4.257
103 H LEU 16 HN LEU 16 19.065 0.806 -6.209
104 HA LEU 16 HA LEU 16 19.519 1.431 -8.900
105 HB2 LEU 16 HB2 LEU 16 18.240 2.800 -7.165
106 HB3 LEU 16 HB1 LEU 16 19.799 3.455 -6.667
107 HG LEU 16 HG LEU 16 18.869 3.525 -9.543
108 HD11 LEU 16 HD11 LEU 16 17.404 5.155 -9.038
109 HD12 LEU 16 HD12 LEU 16 18.708 6.100 -8.319
110 HD13 LEU 16 HD13 LEU 16 17.782 4.975 -7.324
111 HD21 LEU 16 HD21 LEU 16 21.215 4.415 -8.026
112 HD22 LEU 16 HD22 LEU 16 20.490 5.710 -8.975
113 HD23 LEU 16 HD23 LEU 16 21.013 4.225 -9.768
114 H ALA 17 HN ALA 17 21.780 1.601 -6.189
115 HA ALA 17 HA ALA 17 23.838 3.005 -7.670
116 HB1 ALA 17 HB1 ALA 17 24.995 2.960 -5.710
117 HB2 ALA 17 HB2 ALA 17 24.687 1.242 -5.455
118 HB3 ALA 17 HB3 ALA 17 23.457 2.431 -5.029
119 H ASN 18 HN ASN 18 22.922 -0.358 -7.297
120 HA ASN 18 HA ASN 18 25.442 -1.316 -8.500
121 HB2 ASN 18 HB2 ASN 18 23.056 -3.105 -8.291
122 HB3 ASN 18 HB1 ASN 18 24.751 -3.444 -7.949
123 HD21 ASN 18 HD21 ASN 18 24.621 -0.692 -6.361
124 HD22 ASN 18 HD22 ASN 18 23.989 -1.193 -4.840
125 H TYR 19 HN TYR 19 23.197 0.423 -9.875
126 HA TYR 19 HA TYR 19 22.631 -1.337 -12.185
127 HB2 TYR 19 HB2 TYR 19 20.717 -0.098 -11.648
128 HB3 TYR 19 HB1 TYR 19 21.646 1.352 -11.265
129 HD1 TYR 19 HD1 TYR 19 21.136 -0.978 -14.158
130 HD2 TYR 19 HD2 TYR 19 21.599 3.074 -12.817
131 HE1 TYR 19 HE1 TYR 19 20.838 -0.176 -16.489
132 HE2 TYR 19 HE2 TYR 19 21.301 3.881 -15.148
133 HH TYR 19 HH TYR 19 19.944 2.405 -17.442
134 HN1 NH2 20 H1 NH2 20 25.029 0.884 -11.196
135 HN2 NH2 20 H2 NH2 20 25.656 1.266 -12.755
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 4.966 0.551 11.569
2 H2 GLY 1 HT2 GLY 1 3.890 -0.668 11.077
3 H3 GLY 1 HT3 GLY 1 3.575 0.955 10.685
4 HA2 GLY 1 HA1 GLY 1 5.744 -0.767 9.625
5 HA3 GLY 1 HA2 GLY 1 4.393 -0.075 8.728
6 H GLU 2 HN GLU 2 5.837 1.885 11.189
7 HA GLU 2 HA GLU 2 6.633 3.867 9.202
8 HB2 GLU 2 HB2 GLU 2 7.288 5.217 11.138
9 HB3 GLU 2 HB1 GLU 2 5.708 4.489 11.433
10 HG2 GLU 2 HG2 GLU 2 6.889 4.085 13.438
11 HG3 GLU 2 HG1 GLU 2 7.029 2.564 12.554
12 H CGU 3 HN GLA 3 8.113 1.144 10.582
13 HA CGU 3 HA GLA 3 10.839 2.245 10.038
14 HB2 CGU 3 HB1 GLA 3 10.022 -0.209 11.628
15 HB3 CGU 3 HB2 GLA 3 10.475 1.346 12.318
16 HG CGU 3 HG GLA 3 12.254 -0.359 10.549
17 H CGU 4 HN GLA 4 8.499 -0.147 9.086
18 HA CGU 4 HA GLA 4 10.383 -1.759 7.565
19 HB2 CGU 4 HB1 GLA 4 7.345 -1.666 7.617
20 HB3 CGU 4 HB2 GLA 4 8.376 -2.829 8.455
21 HG CGU 4 HG GLA 4 8.264 -2.436 5.471
22 H LEU 5 HN LEU 5 8.404 1.067 7.009
23 HA LEU 5 HA LEU 5 8.450 0.881 4.113
24 HB2 LEU 5 HB2 LEU 5 6.698 2.267 4.863
25 HB3 LEU 5 HB1 LEU 5 7.679 2.949 6.155
26 HG LEU 5 HG LEU 5 8.986 4.229 4.506
27 HD11 LEU 5 HD11 LEU 5 8.568 4.167 2.189
28 HD12 LEU 5 HD12 LEU 5 6.990 3.409 2.402
29 HD13 LEU 5 HD13 LEU 5 8.459 2.471 2.648
30 HD21 LEU 5 HD21 LEU 5 7.042 5.306 5.479
31 HD22 LEU 5 HD22 LEU 5 5.977 4.523 4.312
32 HD23 LEU 5 HD23 LEU 5 7.129 5.747 3.774
33 H ALA 6 HN ALA 6 10.578 2.095 6.591
34 HA ALA 6 HA ALA 6 12.194 3.693 4.735
35 HB1 ALA 6 HB1 ALA 6 13.248 4.472 6.591
36 HB2 ALA 6 HB2 ALA 6 13.516 2.849 7.225
37 HB3 ALA 6 HB3 ALA 6 11.969 3.653 7.490
38 H CGU 7 HN GLA 7 12.391 0.461 6.204
39 HA CGU 7 HA GLA 7 15.012 -0.153 5.224
40 HB2 CGU 7 HB1 GLA 7 14.401 -2.507 5.604
41 HB3 CGU 7 HB2 GLA 7 12.708 -2.055 5.770
42 HG CGU 7 HG GLA 7 13.347 -0.582 7.694
43 H LYS 8 HN LYS 8 11.843 -0.164 3.709
44 HA LYS 8 HA LYS 8 12.777 -1.682 1.380
45 HB2 LYS 8 HB2 LYS 8 10.234 -0.148 1.952
46 HB3 LYS 8 HB1 LYS 8 10.538 -0.975 0.425
47 HG2 LYS 8 HG2 LYS 8 11.027 -3.062 1.857
48 HG3 LYS 8 HG1 LYS 8 10.263 -2.180 3.180
49 HD2 LYS 8 HD2 LYS 8 8.948 -2.646 0.490
50 HD3 LYS 8 HD1 LYS 8 8.686 -3.672 1.901
51 HE2 LYS 8 HE2 LYS 8 7.871 -1.716 3.170
52 HE3 LYS 8 HE1 LYS 8 8.122 -0.695 1.754
53 HZ1 LYS 8 HZ1 LYS 8 6.376 -3.091 1.759
54 HZ2 LYS 8 HZ2 LYS 8 6.505 -1.909 0.545
55 HZ3 LYS 8 HZ3 LYS 8 5.807 -1.518 2.045
56 H ALA 9 HN ALA 9 12.565 1.685 2.336
57 HA ALA 9 HA ALA 9 12.942 2.667 -0.399
58 HB1 ALA 9 HB1 ALA 9 13.516 4.482 1.862
59 HB2 ALA 9 HB2 ALA 9 11.892 3.795 1.855
60 HB3 ALA 9 HB3 ALA 9 12.464 4.720 0.466
61 H ALA 10 HN ALA 10 14.896 2.780 2.606
62 HA ALA 10 HA ALA 10 17.267 3.768 1.421
63 HB1 ALA 10 HB1 ALA 10 17.063 1.826 3.741
64 HB2 ALA 10 HB2 ALA 10 16.881 3.574 3.877
65 HB3 ALA 10 HB3 ALA 10 18.427 2.883 3.382
66 H CGU 11 HN GLA 11 16.108 0.420 1.753
67 HA CGU 11 HA GLA 11 18.519 -0.767 0.685
68 HB2 CGU 11 HB1 GLA 11 15.675 -1.763 0.980
69 HB3 CGU 11 HB2 GLA 11 17.112 -2.301 1.858
70 HG CGU 11 HG GLA 11 17.953 -2.927 -0.582
71 H PHE 12 HN PHE 12 15.339 -0.094 -0.832
72 HA PHE 12 HA PHE 12 15.974 -0.920 -3.465
73 HB2 PHE 12 HB2 PHE 12 13.727 0.053 -3.103
74 HB3 PHE 12 HB1 PHE 12 14.448 1.661 -2.750
75 HD1 PHE 12 HD1 PHE 12 15.806 2.823 -4.614
76 HD2 PHE 12 HD2 PHE 12 13.318 -0.608 -5.377
77 HE1 PHE 12 HE1 PHE 12 15.796 3.352 -7.023
78 HE2 PHE 12 HE2 PHE 12 13.319 -0.065 -7.781
79 HZ PHE 12 HZ PHE 12 14.555 1.914 -8.609
80 H ALA 13 HN ALA 13 17.166 1.858 -1.686
81 HA ALA 13 HA ALA 13 18.412 3.238 -3.869
82 HB1 ALA 13 HB1 ALA 13 19.668 4.437 -2.258
83 HB2 ALA 13 HB2 ALA 13 19.660 3.091 -1.120
84 HB3 ALA 13 HB3 ALA 13 18.186 4.018 -1.400
85 H ARG 14 HN ARG 14 19.884 0.907 -1.550
86 HA ARG 14 HA ARG 14 22.397 0.639 -2.699
87 HB2 ARG 14 HB2 ARG 14 20.705 -1.695 -1.754
88 HB3 ARG 14 HB1 ARG 14 22.467 -1.611 -1.786
89 HG2 ARG 14 HG2 ARG 14 20.769 0.322 -0.192
90 HG3 ARG 14 HG1 ARG 14 21.389 -1.184 0.484
91 HD2 ARG 14 HD2 ARG 14 23.701 -0.456 -0.149
92 HD3 ARG 14 HD1 ARG 14 23.031 1.095 -0.657
93 HE ARG 14 HE ARG 14 23.106 1.685 1.612
94 HH11 ARG 14 HH11 ARG 14 21.022 0.661 2.968
95 HH12 ARG 14 HH12 ARG 14 21.587 -0.684 3.903
96 HH21 ARG 14 HH21 ARG 14 24.505 -1.071 2.070
97 HH22 ARG 14 HH22 ARG 14 23.557 -1.665 3.392
98 H CGU 15 HN GLA 15 19.398 -1.000 -3.743
99 HA CGU 15 HA GLA 15 20.667 -2.443 -5.917
100 HB2 CGU 15 HB1 GLA 15 18.523 -3.094 -6.590
101 HB3 CGU 15 HB2 GLA 15 17.779 -1.584 -6.072
102 HG CGU 15 HG GLA 15 17.915 -2.222 -3.762
103 H LEU 16 HN LEU 16 19.677 0.847 -5.518
104 HA LEU 16 HA LEU 16 19.346 1.467 -8.327
105 HB2 LEU 16 HB2 LEU 16 18.606 2.819 -6.200
106 HB3 LEU 16 HB1 LEU 16 20.231 3.497 -6.293
107 HG LEU 16 HG LEU 16 18.279 3.464 -8.612
108 HD11 LEU 16 HD11 LEU 16 19.032 5.766 -6.785
109 HD12 LEU 16 HD12 LEU 16 17.507 4.885 -6.703
110 HD13 LEU 16 HD13 LEU 16 17.905 5.826 -8.140
111 HD21 LEU 16 HD21 LEU 16 20.079 5.462 -9.065
112 HD22 LEU 16 HD22 LEU 16 20.264 3.823 -9.686
113 HD23 LEU 16 HD23 LEU 16 21.092 4.302 -8.204
114 H ALA 17 HN ALA 17 22.076 1.271 -6.135
115 HA ALA 17 HA ALA 17 23.907 2.638 -7.968
116 HB1 ALA 17 HB1 ALA 17 25.363 1.089 -6.091
117 HB2 ALA 17 HB2 ALA 17 23.951 1.712 -5.239
118 HB3 ALA 17 HB3 ALA 17 25.058 2.825 -6.041
119 H ASN 18 HN ASN 18 22.877 -0.641 -7.326
120 HA ASN 18 HA ASN 18 25.109 -1.845 -8.806
121 HB2 ASN 18 HB2 ASN 18 22.575 -3.368 -8.373
122 HB3 ASN 18 HB1 ASN 18 24.248 -3.878 -8.158
123 HD21 ASN 18 HD21 ASN 18 24.531 -1.122 -6.594
124 HD22 ASN 18 HD22 ASN 18 23.966 -1.549 -5.024
125 H TYR 19 HN TYR 19 22.549 -0.036 -9.818
126 HA TYR 19 HA TYR 19 22.106 -1.646 -12.283
127 HB2 TYR 19 HB2 TYR 19 20.006 -1.051 -11.440
128 HB3 TYR 19 HB1 TYR 19 20.569 0.525 -10.883
129 HD1 TYR 19 HD1 TYR 19 20.547 -1.363 -14.124
130 HD2 TYR 19 HD2 TYR 19 19.734 2.320 -12.075
131 HE1 TYR 19 HE1 TYR 19 19.798 -0.344 -16.260
132 HE2 TYR 19 HE2 TYR 19 18.983 3.343 -14.210
133 HH TYR 19 HH TYR 19 19.425 1.725 -17.273
134 HN1 NH2 20 H1 NH2 20 22.765 1.769 -11.296
135 HN2 NH2 20 H2 NH2 20 23.601 2.178 -12.745
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 4.510 1.352 14.298
2 H2 GLY 1 HT2 GLY 1 5.270 0.266 13.235
3 H3 GLY 1 HT3 GLY 1 4.217 1.455 12.631
4 HA2 GLY 1 HA1 GLY 1 5.798 3.155 13.591
5 HA3 GLY 1 HA2 GLY 1 6.924 1.810 13.769
6 H GLU 2 HN GLU 2 6.786 4.258 11.900
7 HA GLU 2 HA GLU 2 6.522 3.063 9.242
8 HB2 GLU 2 HB2 GLU 2 7.507 5.766 10.194
9 HB3 GLU 2 HB1 GLU 2 7.415 5.308 8.493
10 HG2 GLU 2 HG2 GLU 2 5.390 6.542 9.198
11 HG3 GLU 2 HG1 GLU 2 5.001 4.889 8.722
12 H CGU 3 HN GLA 3 8.445 1.749 10.944
13 HA CGU 3 HA GLA 3 11.103 2.605 9.965
14 HB2 CGU 3 HB1 GLA 3 10.282 0.222 11.662
15 HB3 CGU 3 HB2 GLA 3 10.861 1.766 12.280
16 HG CGU 3 HG GLA 3 12.407 -0.145 10.499
17 H CGU 4 HN GLA 4 8.624 0.310 9.192
18 HA CGU 4 HA GLA 4 10.360 -1.452 7.643
19 HB2 CGU 4 HB1 GLA 4 8.338 -2.575 6.975
20 HB3 CGU 4 HB2 GLA 4 7.347 -1.186 7.427
21 HG CGU 4 HG GLA 4 9.109 -2.564 9.437
22 H LEU 5 HN LEU 5 8.595 1.469 7.099
23 HA LEU 5 HA LEU 5 8.571 1.290 4.197
24 HB2 LEU 5 HB2 LEU 5 8.215 3.642 6.083
25 HB3 LEU 5 HB1 LEU 5 8.036 3.741 4.337
26 HG LEU 5 HG LEU 5 6.309 1.918 4.471
27 HD11 LEU 5 HD11 LEU 5 7.080 2.161 7.328
28 HD12 LEU 5 HD12 LEU 5 6.493 0.757 6.436
29 HD13 LEU 5 HD13 LEU 5 5.356 1.982 7.002
30 HD21 LEU 5 HD21 LEU 5 5.581 4.230 4.297
31 HD22 LEU 5 HD22 LEU 5 5.838 4.482 6.024
32 HD23 LEU 5 HD23 LEU 5 4.548 3.414 5.471
33 H ALA 6 HN ALA 6 10.856 2.320 6.613
34 HA ALA 6 HA ALA 6 12.510 3.794 4.670
35 HB1 ALA 6 HB1 ALA 6 13.346 2.951 7.454
36 HB2 ALA 6 HB2 ALA 6 12.354 4.379 7.159
37 HB3 ALA 6 HB3 ALA 6 13.982 4.282 6.488
38 H CGU 7 HN GLA 7 12.413 0.588 6.133
39 HA CGU 7 HA GLA 7 15.071 -0.148 5.216
40 HB2 CGU 7 HB1 GLA 7 14.423 -2.439 5.839
41 HB3 CGU 7 HB2 GLA 7 12.754 -1.927 6.035
42 HG CGU 7 HG GLA 7 13.498 -0.310 7.784
43 H LYS 8 HN LYS 8 11.842 -0.231 3.824
44 HA LYS 8 HA LYS 8 12.610 -2.004 1.640
45 HB2 LYS 8 HB2 LYS 8 10.189 -0.508 2.469
46 HB3 LYS 8 HB1 LYS 8 10.371 -0.760 0.734
47 HG2 LYS 8 HG2 LYS 8 9.168 -2.654 1.574
48 HG3 LYS 8 HG1 LYS 8 10.811 -3.206 1.251
49 HD2 LYS 8 HD2 LYS 8 11.386 -2.930 3.626
50 HD3 LYS 8 HD1 LYS 8 9.754 -2.350 3.959
51 HE2 LYS 8 HE2 LYS 8 10.388 -5.075 2.796
52 HE3 LYS 8 HE1 LYS 8 10.055 -4.774 4.502
53 HZ1 LYS 8 HZ1 LYS 8 8.115 -3.684 2.649
54 HZ2 LYS 8 HZ2 LYS 8 7.878 -4.497 4.121
55 HZ3 LYS 8 HZ3 LYS 8 8.181 -5.378 2.700
56 H ALA 9 HN ALA 9 12.359 1.504 2.137
57 HA ALA 9 HA ALA 9 12.999 2.074 -0.665
58 HB1 ALA 9 HB1 ALA 9 11.729 3.795 0.279
59 HB2 ALA 9 HB2 ALA 9 13.362 4.445 0.416
60 HB3 ALA 9 HB3 ALA 9 12.584 3.715 1.819
61 H ALA 10 HN ALA 10 14.695 2.010 2.446
62 HA ALA 10 HA ALA 10 17.176 3.094 1.509
63 HB1 ALA 10 HB1 ALA 10 18.102 1.714 3.500
64 HB2 ALA 10 HB2 ALA 10 16.418 1.303 3.816
65 HB3 ALA 10 HB3 ALA 10 16.936 2.987 3.858
66 H CGU 11 HN GLA 11 15.717 -0.073 1.256
67 HA CGU 11 HA GLA 11 18.248 -1.345 0.449
68 HB2 CGU 11 HB1 GLA 11 15.401 -2.405 0.265
69 HB3 CGU 11 HB2 GLA 11 16.537 -2.740 1.579
70 HG CGU 11 HG GLA 11 17.298 -3.351 -1.274
71 H PHE 12 HN PHE 12 15.159 -0.494 -1.188
72 HA PHE 12 HA PHE 12 15.901 -1.193 -3.825
73 HB2 PHE 12 HB2 PHE 12 14.548 1.483 -3.231
74 HB3 PHE 12 HB1 PHE 12 14.318 0.413 -4.643
75 HD1 PHE 12 HD1 PHE 12 11.981 1.385 -3.016
76 HD2 PHE 12 HD2 PHE 12 14.439 -2.115 -2.492
77 HE1 PHE 12 HE1 PHE 12 10.122 0.240 -1.866
78 HE2 PHE 12 HE2 PHE 12 12.572 -3.241 -1.344
79 HZ PHE 12 HZ PHE 12 10.413 -2.072 -1.029
80 H ALA 13 HN ALA 13 17.061 1.390 -1.771
81 HA ALA 13 HA ALA 13 18.438 2.902 -3.809
82 HB1 ALA 13 HB1 ALA 13 18.921 4.231 -2.050
83 HB2 ALA 13 HB2 ALA 13 19.935 2.967 -1.355
84 HB3 ALA 13 HB3 ALA 13 18.216 3.029 -0.968
85 H ARG 14 HN ARG 14 19.715 0.461 -1.482
86 HA ARG 14 HA ARG 14 22.307 0.207 -2.442
87 HB2 ARG 14 HB2 ARG 14 20.365 -1.777 -1.303
88 HB3 ARG 14 HB1 ARG 14 21.883 -2.377 -1.971
89 HG2 ARG 14 HG2 ARG 14 22.253 -1.946 0.372
90 HG3 ARG 14 HG1 ARG 14 23.087 -0.683 -0.534
91 HD2 ARG 14 HD2 ARG 14 21.188 0.842 -0.176
92 HD3 ARG 14 HD1 ARG 14 20.333 -0.420 0.711
93 HE ARG 14 HE ARG 14 22.896 -0.007 1.915
94 HH11 ARG 14 HH11 ARG 14 23.149 2.285 2.798
95 HH12 ARG 14 HH12 ARG 14 21.760 2.851 3.665
96 HH21 ARG 14 HH21 ARG 14 19.660 0.373 2.449
97 HH22 ARG 14 HH22 ARG 14 19.786 1.767 3.469
98 H CGU 15 HN GLA 15 19.358 -1.135 -3.919
99 HA CGU 15 HA GLA 15 20.914 -2.506 -6.003
100 HB2 CGU 15 HB1 GLA 15 18.924 -3.432 -6.709
101 HB3 CGU 15 HB2 GLA 15 17.994 -1.973 -6.380
102 HG CGU 15 HG GLA 15 17.910 -2.445 -4.043
103 H LEU 16 HN LEU 16 18.846 0.402 -5.824
104 HA LEU 16 HA LEU 16 18.963 1.162 -8.534
105 HB2 LEU 16 HB2 LEU 16 18.513 2.539 -5.962
106 HB3 LEU 16 HB1 LEU 16 19.123 3.581 -7.245
107 HG LEU 16 HG LEU 16 16.669 3.551 -7.265
108 HD11 LEU 16 HD11 LEU 16 17.061 1.909 -9.648
109 HD12 LEU 16 HD12 LEU 16 18.352 3.092 -9.436
110 HD13 LEU 16 HD13 LEU 16 16.672 3.625 -9.522
111 HD21 LEU 16 HD21 LEU 16 17.140 0.696 -6.898
112 HD22 LEU 16 HD22 LEU 16 16.018 1.008 -8.222
113 HD23 LEU 16 HD23 LEU 16 15.674 1.633 -6.609
114 H ALA 17 HN ALA 17 21.432 1.337 -6.051
115 HA ALA 17 HA ALA 17 23.157 3.092 -7.647
116 HB1 ALA 17 HB1 ALA 17 23.384 1.683 -5.007
117 HB2 ALA 17 HB2 ALA 17 23.571 3.398 -5.376
118 HB3 ALA 17 HB3 ALA 17 24.850 2.261 -5.801
119 H ASN 18 HN ASN 18 22.751 -0.355 -7.102
120 HA ASN 18 HA ASN 18 25.275 -0.984 -8.511
121 HB2 ASN 18 HB2 ASN 18 23.225 -3.095 -7.944
122 HB3 ASN 18 HB1 ASN 18 24.982 -3.167 -7.816
123 HD21 ASN 18 HD21 ASN 18 24.626 -0.366 -6.351
124 HD22 ASN 18 HD22 ASN 18 24.283 -0.856 -4.735
125 H TYR 19 HN TYR 19 22.695 0.328 -9.711
126 HA TYR 19 HA TYR 19 22.129 -1.624 -11.863
127 HB2 TYR 19 HB2 TYR 19 20.129 -0.615 -11.213
128 HB3 TYR 19 HB1 TYR 19 20.895 0.947 -10.923
129 HD1 TYR 19 HD1 TYR 19 21.199 -1.280 -13.897
130 HD2 TYR 19 HD2 TYR 19 19.715 2.427 -12.322
131 HE1 TYR 19 HE1 TYR 19 20.585 -0.553 -16.191
132 HE2 TYR 19 HE2 TYR 19 19.100 3.157 -14.613
133 HH TYR 19 HH TYR 19 20.235 1.651 -17.386
134 HN1 NH2 20 H1 NH2 20 23.498 1.673 -11.444
135 HN2 NH2 20 H2 NH2 20 24.256 1.721 -12.991
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 5.562 2.869 13.682
2 H2 GLY 1 HT2 GLY 1 6.718 2.205 12.629
3 H3 GLY 1 HT3 GLY 1 5.648 1.189 13.471
4 HA2 GLY 1 HA1 GLY 1 4.509 1.205 11.548
5 HA3 GLY 1 HA2 GLY 1 3.890 2.721 12.203
6 H GLU 2 HN GLU 2 7.047 3.350 11.770
7 HA GLU 2 HA GLU 2 6.768 4.035 8.878
8 HB2 GLU 2 HB2 GLU 2 7.629 6.264 9.274
9 HB3 GLU 2 HB1 GLU 2 6.246 6.021 10.342
10 HG2 GLU 2 HG2 GLU 2 7.777 5.432 12.190
11 HG3 GLU 2 HG1 GLU 2 9.157 5.698 11.124
12 H CGU 3 HN GLA 3 8.313 2.048 10.651
13 HA CGU 3 HA GLA 3 11.084 2.847 9.869
14 HB2 CGU 3 HB1 GLA 3 10.134 0.686 11.779
15 HB3 CGU 3 HB2 GLA 3 10.748 2.268 12.251
16 HG CGU 3 HG GLA 3 12.297 0.197 10.664
17 H CGU 4 HN GLA 4 8.535 0.584 9.270
18 HA CGU 4 HA GLA 4 10.234 -1.392 7.938
19 HB2 CGU 4 HB1 GLA 4 8.210 -2.547 7.424
20 HB3 CGU 4 HB2 GLA 4 7.240 -1.084 7.602
21 HG CGU 4 HG GLA 4 8.846 -2.244 9.877
22 H LEU 5 HN LEU 5 8.563 1.511 7.104
23 HA LEU 5 HA LEU 5 8.580 1.043 4.226
24 HB2 LEU 5 HB2 LEU 5 8.181 3.581 5.843
25 HB3 LEU 5 HB1 LEU 5 7.946 3.444 4.107
26 HG LEU 5 HG LEU 5 6.296 1.571 4.586
27 HD11 LEU 5 HD11 LEU 5 7.037 2.435 7.341
28 HD12 LEU 5 HD12 LEU 5 6.572 0.839 6.750
29 HD13 LEU 5 HD13 LEU 5 5.338 2.064 7.048
30 HD21 LEU 5 HD21 LEU 5 5.734 4.015 4.087
31 HD22 LEU 5 HD22 LEU 5 5.527 4.223 5.826
32 HD23 LEU 5 HD23 LEU 5 4.491 3.103 4.942
33 H ALA 6 HN ALA 6 10.788 2.295 6.596
34 HA ALA 6 HA ALA 6 12.465 3.648 4.583
35 HB1 ALA 6 HB1 ALA 6 12.354 4.546 6.896
36 HB2 ALA 6 HB2 ALA 6 14.002 4.107 6.449
37 HB3 ALA 6 HB3 ALA 6 13.063 3.048 7.501
38 H CGU 7 HN GLA 7 12.281 0.536 6.177
39 HA CGU 7 HA GLA 7 14.976 -0.271 5.423
40 HB2 CGU 7 HB1 GLA 7 14.227 -2.545 6.086
41 HB3 CGU 7 HB2 GLA 7 12.585 -1.945 6.263
42 HG CGU 7 HG GLA 7 13.417 -0.303 7.958
43 H LYS 8 HN LYS 8 11.782 -0.395 3.934
44 HA LYS 8 HA LYS 8 12.645 -2.233 1.832
45 HB2 LYS 8 HB2 LYS 8 10.166 -0.569 2.275
46 HB3 LYS 8 HB1 LYS 8 10.440 -1.420 0.756
47 HG2 LYS 8 HG2 LYS 8 10.710 -3.543 2.020
48 HG3 LYS 8 HG1 LYS 8 10.355 -2.673 3.514
49 HD2 LYS 8 HD2 LYS 8 8.152 -2.003 2.570
50 HD3 LYS 8 HD1 LYS 8 8.502 -2.959 1.130
51 HE2 LYS 8 HE2 LYS 8 8.321 -4.024 3.963
52 HE3 LYS 8 HE1 LYS 8 7.115 -4.250 2.696
53 HZ1 LYS 8 HZ1 LYS 8 8.303 -5.867 1.767
54 HZ2 LYS 8 HZ2 LYS 8 9.205 -5.904 3.206
55 HZ3 LYS 8 HZ3 LYS 8 9.757 -5.001 1.877
56 H ALA 9 HN ALA 9 12.465 1.265 2.277
57 HA ALA 9 HA ALA 9 13.062 1.800 -0.547
58 HB1 ALA 9 HB1 ALA 9 13.386 4.175 0.365
59 HB2 ALA 9 HB2 ALA 9 12.867 3.537 1.926
60 HB3 ALA 9 HB3 ALA 9 11.770 3.492 0.545
61 H ALA 10 HN ALA 10 14.770 1.667 2.547
62 HA ALA 10 HA ALA 10 17.265 2.724 1.675
63 HB1 ALA 10 HB1 ALA 10 16.675 0.591 3.753
64 HB2 ALA 10 HB2 ALA 10 16.816 2.325 4.045
65 HB3 ALA 10 HB3 ALA 10 18.233 1.394 3.558
66 H CGU 11 HN GLA 11 15.795 -0.463 1.315
67 HA CGU 11 HA GLA 11 18.257 -1.666 0.279
68 HB2 CGU 11 HB1 GLA 11 15.373 -2.593 0.362
69 HB3 CGU 11 HB2 GLA 11 16.740 -3.236 1.278
70 HG CGU 11 HG GLA 11 17.709 -3.643 -1.183
71 H PHE 12 HN PHE 12 15.081 -0.895 -1.262
72 HA PHE 12 HA PHE 12 15.855 -1.350 -3.934
73 HB2 PHE 12 HB2 PHE 12 14.274 1.152 -3.133
74 HB3 PHE 12 HB1 PHE 12 14.185 0.244 -4.668
75 HD1 PHE 12 HD1 PHE 12 14.139 -2.602 -3.613
76 HD2 PHE 12 HD2 PHE 12 12.047 0.905 -2.251
77 HE1 PHE 12 HE1 PHE 12 12.357 -4.020 -2.675
78 HE2 PHE 12 HE2 PHE 12 10.271 -0.530 -1.314
79 HZ PHE 12 HZ PHE 12 10.423 -2.992 -1.524
80 H ALA 13 HN ALA 13 16.842 1.221 -1.767
81 HA ALA 13 HA ALA 13 18.055 2.939 -3.730
82 HB1 ALA 13 HB1 ALA 13 19.041 4.072 -1.956
83 HB2 ALA 13 HB2 ALA 13 19.372 2.592 -1.057
84 HB3 ALA 13 HB3 ALA 13 17.736 3.250 -1.098
85 H ARG 14 HN ARG 14 19.572 0.413 -1.663
86 HA ARG 14 HA ARG 14 22.131 0.387 -2.724
87 HB2 ARG 14 HB2 ARG 14 20.433 -2.040 -2.049
88 HB3 ARG 14 HB1 ARG 14 22.193 -2.021 -2.159
89 HG2 ARG 14 HG2 ARG 14 20.572 -0.315 -0.248
90 HG3 ARG 14 HG1 ARG 14 21.373 -1.824 0.191
91 HD2 ARG 14 HD2 ARG 14 23.499 -0.662 -0.836
92 HD3 ARG 14 HD1 ARG 14 22.591 0.822 -0.538
93 HE ARG 14 HE ARG 14 23.162 0.550 1.723
94 HH11 ARG 14 HH11 ARG 14 23.897 -2.318 0.070
95 HH12 ARG 14 HH12 ARG 14 23.895 -3.324 1.480
96 HH21 ARG 14 HH21 ARG 14 22.752 -0.818 3.588
97 HH22 ARG 14 HH22 ARG 14 23.248 -2.474 3.471
98 H CGU 15 HN GLA 15 19.245 -1.220 -4.098
99 HA CGU 15 HA GLA 15 20.770 -2.185 -6.415
100 HB2 CGU 15 HB1 GLA 15 18.835 -3.273 -7.089
101 HB3 CGU 15 HB2 GLA 15 17.772 -2.011 -6.474
102 HG CGU 15 HG GLA 15 18.070 -2.758 -4.209
103 H LEU 16 HN LEU 16 18.989 0.671 -5.560
104 HA LEU 16 HA LEU 16 18.371 1.612 -8.191
105 HB2 LEU 16 HB2 LEU 16 17.631 2.525 -5.852
106 HB3 LEU 16 HB1 LEU 16 19.129 3.449 -5.919
107 HG LEU 16 HG LEU 16 17.516 4.909 -6.834
108 HD11 LEU 16 HD11 LEU 16 19.564 4.589 -8.264
109 HD12 LEU 16 HD12 LEU 16 18.155 5.177 -9.143
110 HD13 LEU 16 HD13 LEU 16 18.625 3.485 -9.268
111 HD21 LEU 16 HD21 LEU 16 16.497 2.792 -8.725
112 HD22 LEU 16 HD22 LEU 16 15.711 4.287 -8.216
113 HD23 LEU 16 HD23 LEU 16 15.847 2.935 -7.091
114 H ALA 17 HN ALA 17 21.113 2.428 -6.037
115 HA ALA 17 HA ALA 17 22.574 4.019 -7.834
116 HB1 ALA 17 HB1 ALA 17 23.109 2.567 -5.379
117 HB2 ALA 17 HB2 ALA 17 23.853 4.049 -5.978
118 HB3 ALA 17 HB3 ALA 17 24.493 2.482 -6.469
119 H ASN 18 HN ASN 18 22.137 0.550 -7.774
120 HA ASN 18 HA ASN 18 24.301 0.082 -9.725
121 HB2 ASN 18 HB2 ASN 18 22.225 -2.003 -9.198
122 HB3 ASN 18 HB1 ASN 18 23.974 -2.164 -9.347
123 HD21 ASN 18 HD21 ASN 18 24.034 0.326 -7.374
124 HD22 ASN 18 HD22 ASN 18 23.868 -0.435 -5.837
125 H TYR 19 HN TYR 19 21.663 1.714 -10.206
126 HA TYR 19 HA TYR 19 20.438 0.211 -12.401
127 HB2 TYR 19 HB2 TYR 19 18.882 1.581 -11.313
128 HB3 TYR 19 HB1 TYR 19 20.024 2.918 -11.157
129 HD1 TYR 19 HD1 TYR 19 20.841 4.046 -13.329
130 HD2 TYR 19 HD2 TYR 19 17.386 1.506 -13.114
131 HE1 TYR 19 HE1 TYR 19 19.996 5.016 -15.452
132 HE2 TYR 19 HE2 TYR 19 16.538 2.475 -15.237
133 HH TYR 19 HH TYR 19 17.573 3.627 -17.272
134 HN1 NH2 20 H1 NH2 20 23.034 2.531 -12.009
135 HN2 NH2 20 H2 NH2 20 23.329 2.775 -13.689
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 5.311 2.361 14.474
2 H2 GLY 1 HT2 GLY 1 6.647 2.376 13.425
3 H3 GLY 1 HT3 GLY 1 5.243 1.515 13.005
4 HA2 GLY 1 HA1 GLY 1 3.989 3.586 12.885
5 HA3 GLY 1 HA2 GLY 1 5.468 4.463 13.276
6 H GLU 2 HN GLU 2 7.327 4.111 11.748
7 HA GLU 2 HA GLU 2 6.533 3.196 9.044
8 HB2 GLU 2 HB2 GLU 2 7.479 5.321 8.062
9 HB3 GLU 2 HB1 GLU 2 5.971 5.543 8.951
10 HG2 GLU 2 HG2 GLU 2 7.153 6.360 10.892
11 HG3 GLU 2 HG1 GLU 2 8.712 5.951 10.175
12 H CGU 3 HN GLA 3 8.288 1.930 10.811
13 HA CGU 3 HA GLA 3 11.028 2.716 9.986
14 HB2 CGU 3 HB1 GLA 3 10.081 0.487 11.820
15 HB3 CGU 3 HB2 GLA 3 10.625 2.077 12.345
16 HG CGU 3 HG GLA 3 12.286 0.069 10.789
17 H CGU 4 HN GLA 4 8.567 0.368 9.278
18 HA CGU 4 HA GLA 4 10.402 -1.475 7.916
19 HB2 CGU 4 HB1 GLA 4 8.467 -2.771 7.406
20 HB3 CGU 4 HB2 GLA 4 7.391 -1.387 7.612
21 HG CGU 4 HG GLA 4 9.094 -2.446 9.865
22 H LEU 5 HN LEU 5 8.519 1.316 7.174
23 HA LEU 5 HA LEU 5 8.504 0.921 4.289
24 HB2 LEU 5 HB2 LEU 5 7.973 3.362 6.010
25 HB3 LEU 5 HB1 LEU 5 7.814 3.338 4.260
26 HG LEU 5 HG LEU 5 6.159 1.520 4.416
27 HD11 LEU 5 HD11 LEU 5 6.700 0.314 6.354
28 HD12 LEU 5 HD12 LEU 5 5.246 1.184 6.841
29 HD13 LEU 5 HD13 LEU 5 6.832 1.771 7.339
30 HD21 LEU 5 HD21 LEU 5 5.687 4.119 4.791
31 HD22 LEU 5 HD22 LEU 5 5.186 3.554 6.384
32 HD23 LEU 5 HD23 LEU 5 4.394 2.927 4.939
33 H ALA 6 HN ALA 6 10.695 2.221 6.639
34 HA ALA 6 HA ALA 6 12.272 3.713 4.650
35 HB1 ALA 6 HB1 ALA 6 13.579 3.063 7.216
36 HB2 ALA 6 HB2 ALA 6 12.054 3.933 7.381
37 HB3 ALA 6 HB3 ALA 6 13.365 4.625 6.427
38 H CGU 7 HN GLA 7 12.409 0.595 6.313
39 HA CGU 7 HA GLA 7 15.046 -0.094 5.359
40 HB2 CGU 7 HB1 GLA 7 14.455 -2.388 6.046
41 HB3 CGU 7 HB2 GLA 7 12.775 -1.908 6.233
42 HG CGU 7 HG GLA 7 13.500 -0.219 7.934
43 H LYS 8 HN LYS 8 11.816 -0.289 3.986
44 HA LYS 8 HA LYS 8 12.655 -2.093 1.840
45 HB2 LYS 8 HB2 LYS 8 10.139 -0.459 2.247
46 HB3 LYS 8 HB1 LYS 8 10.394 -1.544 0.885
47 HG2 LYS 8 HG2 LYS 8 10.649 -3.444 2.384
48 HG3 LYS 8 HG1 LYS 8 10.543 -2.386 3.792
49 HD2 LYS 8 HD2 LYS 8 8.254 -1.860 3.344
50 HD3 LYS 8 HD1 LYS 8 8.334 -2.580 1.734
51 HE2 LYS 8 HE2 LYS 8 7.191 -4.056 3.395
52 HE3 LYS 8 HE1 LYS 8 8.626 -4.801 2.693
53 HZ1 LYS 8 HZ1 LYS 8 8.628 -3.331 5.269
54 HZ2 LYS 8 HZ2 LYS 8 9.883 -4.275 4.619
55 HZ3 LYS 8 HZ3 LYS 8 8.447 -5.013 5.149
56 H ALA 9 HN ALA 9 12.437 1.388 2.336
57 HA ALA 9 HA ALA 9 12.881 1.934 -0.526
58 HB1 ALA 9 HB1 ALA 9 12.706 3.716 1.921
59 HB2 ALA 9 HB2 ALA 9 11.498 3.527 0.650
60 HB3 ALA 9 HB3 ALA 9 13.030 4.327 0.299
61 H ALA 10 HN ALA 10 14.679 1.769 2.491
62 HA ALA 10 HA ALA 10 17.087 3.020 1.521
63 HB1 ALA 10 HB1 ALA 10 16.433 2.513 3.962
64 HB2 ALA 10 HB2 ALA 10 18.112 2.214 3.512
65 HB3 ALA 10 HB3 ALA 10 16.980 0.867 3.642
66 H CGU 11 HN GLA 11 15.754 -0.225 1.320
67 HA CGU 11 HA GLA 11 18.252 -1.413 0.376
68 HB2 CGU 11 HB1 GLA 11 15.377 -2.392 0.347
69 HB3 CGU 11 HB2 GLA 11 16.692 -2.959 1.385
70 HG CGU 11 HG GLA 11 17.741 -3.337 -1.134
71 H PHE 12 HN PHE 12 15.161 -0.481 -1.210
72 HA PHE 12 HA PHE 12 15.881 -1.048 -3.885
73 HB2 PHE 12 HB2 PHE 12 14.554 1.604 -3.126
74 HB3 PHE 12 HB1 PHE 12 14.329 0.645 -4.616
75 HD1 PHE 12 HD1 PHE 12 12.042 1.567 -2.799
76 HD2 PHE 12 HD2 PHE 12 14.334 -2.074 -2.808
77 HE1 PHE 12 HE1 PHE 12 10.152 0.365 -1.763
78 HE2 PHE 12 HE2 PHE 12 12.441 -3.261 -1.771
79 HZ PHE 12 HZ PHE 12 10.348 -2.048 -1.247
80 H ALA 13 HN ALA 13 17.098 1.414 -1.721
81 HA ALA 13 HA ALA 13 18.429 3.026 -3.713
82 HB1 ALA 13 HB1 ALA 13 19.689 3.996 -1.911
83 HB2 ALA 13 HB2 ALA 13 19.410 2.596 -0.876
84 HB3 ALA 13 HB3 ALA 13 18.075 3.678 -1.274
85 H ARG 14 HN ARG 14 19.786 0.495 -1.530
86 HA ARG 14 HA ARG 14 22.353 0.326 -2.566
87 HB2 ARG 14 HB2 ARG 14 20.591 -2.041 -1.856
88 HB3 ARG 14 HB1 ARG 14 22.354 -2.029 -1.884
89 HG2 ARG 14 HG2 ARG 14 20.656 -0.249 -0.108
90 HG3 ARG 14 HG1 ARG 14 21.416 -1.751 0.419
91 HD2 ARG 14 HD2 ARG 14 23.619 -0.699 -0.463
92 HD3 ARG 14 HD1 ARG 14 22.735 0.826 -0.423
93 HE ARG 14 HE ARG 14 23.841 -0.463 1.861
94 HH11 ARG 14 HH11 ARG 14 21.692 -1.105 3.267
95 HH12 ARG 14 HH12 ARG 14 20.854 0.341 3.725
96 HH21 ARG 14 HH21 ARG 14 22.443 2.329 1.372
97 HH22 ARG 14 HH22 ARG 14 21.283 2.284 2.657
98 H CGU 15 HN GLA 15 19.397 -1.107 -3.956
99 HA CGU 15 HA GLA 15 20.816 -2.414 -6.138
100 HB2 CGU 15 HB1 GLA 15 18.732 -3.066 -6.948
101 HB3 CGU 15 HB2 GLA 15 17.933 -1.591 -6.414
102 HG CGU 15 HG GLA 15 17.930 -2.331 -4.126
103 H LEU 16 HN LEU 16 19.370 0.765 -5.659
104 HA LEU 16 HA LEU 16 19.336 1.615 -8.377
105 HB2 LEU 16 HB2 LEU 16 18.871 2.786 -5.840
106 HB3 LEU 16 HB1 LEU 16 20.102 3.778 -6.616
107 HG LEU 16 HG LEU 16 17.993 4.691 -7.277
108 HD11 LEU 16 HD11 LEU 16 19.822 3.703 -9.110
109 HD12 LEU 16 HD12 LEU 16 18.531 4.851 -9.464
110 HD13 LEU 16 HD13 LEU 16 18.277 3.127 -9.733
111 HD21 LEU 16 HD21 LEU 16 16.358 3.099 -6.814
112 HD22 LEU 16 HD22 LEU 16 17.250 1.802 -7.608
113 HD23 LEU 16 HD23 LEU 16 16.412 3.015 -8.575
114 H ALA 17 HN ALA 17 21.927 1.597 -5.958
115 HA ALA 17 HA ALA 17 23.815 3.027 -7.626
116 HB1 ALA 17 HB1 ALA 17 23.877 2.674 -5.061
117 HB2 ALA 17 HB2 ALA 17 25.405 2.569 -5.937
118 HB3 ALA 17 HB3 ALA 17 24.573 1.097 -5.434
119 H ASN 18 HN ASN 18 22.888 -0.337 -7.259
120 HA ASN 18 HA ASN 18 25.200 -1.319 -8.795
121 HB2 ASN 18 HB2 ASN 18 22.754 -3.005 -8.441
122 HB3 ASN 18 HB1 ASN 18 24.456 -3.442 -8.291
123 HD21 ASN 18 HD21 ASN 18 24.635 -0.787 -6.558
124 HD22 ASN 18 HD22 ASN 18 24.129 -1.340 -5.007
125 H TYR 19 HN TYR 19 22.919 0.597 -9.825
126 HA TYR 19 HA TYR 19 21.898 -0.953 -12.104
127 HB2 TYR 19 HB2 TYR 19 20.311 0.597 -11.355
128 HB3 TYR 19 HB1 TYR 19 21.523 1.845 -11.065
129 HD1 TYR 19 HD1 TYR 19 20.698 -0.329 -14.005
130 HD2 TYR 19 HD2 TYR 19 21.211 3.654 -12.486
131 HE1 TYR 19 HE1 TYR 19 20.301 0.588 -16.278
132 HE2 TYR 19 HE2 TYR 19 20.814 4.574 -14.758
133 HH TYR 19 HH TYR 19 19.710 3.894 -16.848
134 HN1 NH2 20 H1 NH2 20 24.564 1.225 -11.405
135 HN2 NH2 20 H2 NH2 20 25.150 1.332 -13.021
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 4.330 3.458 11.781
2 H2 GLY 1 HT2 GLY 1 4.394 4.326 13.240
3 H3 GLY 1 HT3 GLY 1 3.884 2.706 13.234
4 HA2 GLY 1 HA1 GLY 1 6.310 3.348 13.934
5 HA3 GLY 1 HA2 GLY 1 5.975 1.871 13.031
6 H GLU 2 HN GLU 2 5.327 3.236 10.538
7 HA GLU 2 HA GLU 2 6.592 3.664 8.583
8 HB2 GLU 2 HB2 GLU 2 7.649 5.867 10.383
9 HB3 GLU 2 HB1 GLU 2 7.588 5.887 8.621
10 HG2 GLU 2 HG2 GLU 2 5.705 7.166 9.497
11 HG3 GLU 2 HG1 GLU 2 5.100 5.689 8.744
12 H CGU 3 HN GLA 3 7.834 1.705 10.297
13 HA CGU 3 HA GLA 3 10.725 2.419 10.075
14 HB2 CGU 3 HB1 GLA 3 9.402 0.113 11.542
15 HB3 CGU 3 HB2 GLA 3 9.957 1.610 12.287
16 HG CGU 3 HG GLA 3 11.721 -0.321 10.745
17 H CGU 4 HN GLA 4 8.247 0.323 8.826
18 HA CGU 4 HA GLA 4 10.178 -1.479 7.520
19 HB2 CGU 4 HB1 GLA 4 8.295 -2.702 6.754
20 HB3 CGU 4 HB2 GLA 4 7.220 -1.313 6.919
21 HG CGU 4 HG GLA 4 8.639 -2.550 9.278
22 H LEU 5 HN LEU 5 8.404 1.400 6.841
23 HA LEU 5 HA LEU 5 8.650 1.231 3.943
24 HB2 LEU 5 HB2 LEU 5 7.961 3.524 5.810
25 HB3 LEU 5 HB1 LEU 5 8.012 3.679 4.063
26 HG LEU 5 HG LEU 5 5.728 3.149 5.203
27 HD11 LEU 5 HD11 LEU 5 6.051 3.140 2.783
28 HD12 LEU 5 HD12 LEU 5 5.076 1.748 3.251
29 HD13 LEU 5 HD13 LEU 5 6.782 1.538 2.859
30 HD21 LEU 5 HD21 LEU 5 6.935 0.369 5.056
31 HD22 LEU 5 HD22 LEU 5 5.297 0.782 5.556
32 HD23 LEU 5 HD23 LEU 5 6.667 1.258 6.556
33 H ALA 6 HN ALA 6 10.641 2.300 6.570
34 HA ALA 6 HA ALA 6 12.400 3.890 4.812
35 HB1 ALA 6 HB1 ALA 6 12.518 4.871 6.891
36 HB2 ALA 6 HB2 ALA 6 13.842 3.720 7.075
37 HB3 ALA 6 HB3 ALA 6 12.251 3.350 7.742
38 H CGU 7 HN GLA 7 12.408 0.717 6.403
39 HA CGU 7 HA GLA 7 15.134 0.084 5.711
40 HB2 CGU 7 HB1 GLA 7 14.471 -2.264 6.173
41 HB3 CGU 7 HB2 GLA 7 12.790 -1.765 6.258
42 HG CGU 7 HG GLA 7 13.392 -0.203 8.114
43 H LYS 8 HN LYS 8 12.086 -0.093 3.973
44 HA LYS 8 HA LYS 8 13.228 -1.738 1.830
45 HB2 LYS 8 HB2 LYS 8 10.576 -0.412 2.324
46 HB3 LYS 8 HB1 LYS 8 10.986 -0.953 0.696
47 HG2 LYS 8 HG2 LYS 8 11.310 -2.789 3.066
48 HG3 LYS 8 HG1 LYS 8 9.755 -2.625 2.250
49 HD2 LYS 8 HD2 LYS 8 12.118 -3.055 0.497
50 HD3 LYS 8 HD1 LYS 8 11.615 -4.427 1.486
51 HE2 LYS 8 HE2 LYS 8 9.324 -4.234 0.605
52 HE3 LYS 8 HE1 LYS 8 9.809 -2.846 -0.369
53 HZ1 LYS 8 HZ1 LYS 8 11.084 -4.145 -1.751
54 HZ2 LYS 8 HZ2 LYS 8 9.791 -5.194 -1.414
55 HZ3 LYS 8 HZ3 LYS 8 11.275 -5.385 -0.609
56 H ALA 9 HN ALA 9 12.684 1.694 2.467
57 HA ALA 9 HA ALA 9 13.203 2.545 -0.254
58 HB1 ALA 9 HB1 ALA 9 13.855 4.487 1.840
59 HB2 ALA 9 HB2 ALA 9 12.260 3.766 2.052
60 HB3 ALA 9 HB3 ALA 9 12.661 4.592 0.547
61 H ALA 10 HN ALA 10 15.163 2.537 2.740
62 HA ALA 10 HA ALA 10 17.562 3.512 1.564
63 HB1 ALA 10 HB1 ALA 10 17.123 1.650 3.917
64 HB2 ALA 10 HB2 ALA 10 17.362 3.396 3.973
65 HB3 ALA 10 HB3 ALA 10 18.690 2.338 3.494
66 H CGU 11 HN GLA 11 16.220 0.240 1.766
67 HA CGU 11 HA GLA 11 18.581 -1.064 0.712
68 HB2 CGU 11 HB1 GLA 11 15.681 -1.873 0.981
69 HB3 CGU 11 HB2 GLA 11 17.087 -2.563 1.798
70 HG CGU 11 HG GLA 11 17.867 -3.198 -0.613
71 H PHE 12 HN PHE 12 15.453 -0.207 -0.829
72 HA PHE 12 HA PHE 12 16.117 -0.963 -3.476
73 HB2 PHE 12 HB2 PHE 12 13.896 0.076 -3.136
74 HB3 PHE 12 HB1 PHE 12 14.660 1.643 -2.701
75 HD1 PHE 12 HD1 PHE 12 16.220 2.738 -4.505
76 HD2 PHE 12 HD2 PHE 12 13.411 -0.394 -5.425
77 HE1 PHE 12 HE1 PHE 12 16.295 3.357 -6.891
78 HE2 PHE 12 HE2 PHE 12 13.499 0.238 -7.807
79 HZ PHE 12 HZ PHE 12 14.938 2.112 -8.544
80 H ALA 13 HN ALA 13 17.361 1.692 -1.561
81 HA ALA 13 HA ALA 13 18.708 3.130 -3.639
82 HB1 ALA 13 HB1 ALA 13 20.016 2.787 -0.952
83 HB2 ALA 13 HB2 ALA 13 18.493 3.670 -1.056
84 HB3 ALA 13 HB3 ALA 13 19.901 4.231 -1.957
85 H ARG 14 HN ARG 14 20.032 0.599 -1.447
86 HA ARG 14 HA ARG 14 22.538 0.268 -2.599
87 HB2 ARG 14 HB2 ARG 14 20.669 -1.940 -1.677
88 HB3 ARG 14 HB1 ARG 14 22.412 -2.103 -1.890
89 HG2 ARG 14 HG2 ARG 14 21.079 -0.142 0.001
90 HG3 ARG 14 HG1 ARG 14 21.786 -1.684 0.484
91 HD2 ARG 14 HD2 ARG 14 23.936 -0.811 -0.693
92 HD3 ARG 14 HD1 ARG 14 23.175 0.775 -0.567
93 HE ARG 14 HE ARG 14 23.763 0.750 1.705
94 HH11 ARG 14 HH11 ARG 14 22.026 -1.237 2.789
95 HH12 ARG 14 HH12 ARG 14 23.073 -2.533 3.261
96 HH21 ARG 14 HH21 ARG 14 25.730 -1.451 1.315
97 HH22 ARG 14 HH22 ARG 14 25.170 -2.655 2.428
98 H CGU 15 HN GLA 15 19.460 -1.157 -3.734
99 HA CGU 15 HA GLA 15 20.692 -2.512 -5.996
100 HB2 CGU 15 HB1 GLA 15 18.531 -3.085 -6.685
101 HB3 CGU 15 HB2 GLA 15 17.815 -1.602 -6.062
102 HG CGU 15 HG GLA 15 17.975 -2.387 -3.796
103 H LEU 16 HN LEU 16 19.229 0.676 -5.519
104 HA LEU 16 HA LEU 16 19.063 1.540 -8.193
105 HB2 LEU 16 HB2 LEU 16 18.302 2.827 -6.168
106 HB3 LEU 16 HB1 LEU 16 19.988 3.227 -5.847
107 HG LEU 16 HG LEU 16 18.673 3.819 -8.504
108 HD11 LEU 16 HD11 LEU 16 19.045 6.179 -6.921
109 HD12 LEU 16 HD12 LEU 16 18.088 5.029 -5.988
110 HD13 LEU 16 HD13 LEU 16 17.545 5.535 -7.588
111 HD21 LEU 16 HD21 LEU 16 20.841 4.290 -8.975
112 HD22 LEU 16 HD22 LEU 16 21.310 4.218 -7.277
113 HD23 LEU 16 HD23 LEU 16 20.632 5.702 -7.941
114 H ALA 17 HN ALA 17 21.871 1.425 -6.025
115 HA ALA 17 HA ALA 17 23.667 2.713 -7.896
116 HB1 ALA 17 HB1 ALA 17 24.068 2.586 -5.429
117 HB2 ALA 17 HB2 ALA 17 25.432 1.995 -6.377
118 HB3 ALA 17 HB3 ALA 17 24.338 0.852 -5.597
119 H ASN 18 HN ASN 18 22.573 -0.570 -7.385
120 HA ASN 18 HA ASN 18 24.696 -1.723 -9.073
121 HB2 ASN 18 HB2 ASN 18 22.204 -3.262 -8.471
122 HB3 ASN 18 HB1 ASN 18 23.888 -3.784 -8.438
123 HD21 ASN 18 HD21 ASN 18 24.376 -1.119 -6.816
124 HD22 ASN 18 HD22 ASN 18 23.950 -1.583 -5.213
125 H TYR 19 HN TYR 19 22.190 0.194 -9.830
126 HA TYR 19 HA TYR 19 21.158 -1.355 -12.112
127 HB2 TYR 19 HB2 TYR 19 19.448 -0.050 -11.223
128 HB3 TYR 19 HB1 TYR 19 20.530 1.291 -10.846
129 HD1 TYR 19 HD1 TYR 19 19.893 -0.665 -13.977
130 HD2 TYR 19 HD2 TYR 19 19.904 3.178 -12.063
131 HE1 TYR 19 HE1 TYR 19 19.317 0.410 -16.139
132 HE2 TYR 19 HE2 TYR 19 19.327 4.256 -14.224
133 HH TYR 19 HH TYR 19 18.310 3.683 -16.348
134 HN1 NH2 20 H1 NH2 20 23.416 1.326 -11.492
135 HN2 NH2 20 H2 NH2 20 23.954 1.472 -13.123
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 3.077 3.078 11.463
2 H2 GLY 1 HT2 GLY 1 3.616 2.473 12.956
3 H3 GLY 1 HT3 GLY 1 2.496 1.591 12.032
4 HA2 GLY 1 HA1 GLY 1 5.171 1.195 12.035
5 HA3 GLY 1 HA2 GLY 1 4.062 0.656 10.775
6 H GLU 2 HN GLU 2 6.741 2.626 11.432
7 HA GLU 2 HA GLU 2 6.537 3.797 8.699
8 HB2 GLU 2 HB2 GLU 2 7.279 5.283 11.237
9 HB3 GLU 2 HB1 GLU 2 7.526 5.921 9.611
10 HG2 GLU 2 HG2 GLU 2 5.101 5.705 9.164
11 HG3 GLU 2 HG1 GLU 2 4.860 5.098 10.802
12 H CGU 3 HN GLA 3 8.299 2.102 11.018
13 HA CGU 3 HA GLA 3 10.963 2.891 10.019
14 HB2 CGU 3 HB1 GLA 3 10.142 0.663 11.913
15 HB3 CGU 3 HB2 GLA 3 10.655 2.275 12.398
16 HG CGU 3 HG GLA 3 12.323 0.302 10.807
17 H CGU 4 HN GLA 4 8.550 0.481 9.401
18 HA CGU 4 HA GLA 4 10.394 -1.352 8.043
19 HB2 CGU 4 HB1 GLA 4 8.483 -2.700 7.600
20 HB3 CGU 4 HB2 GLA 4 7.379 -1.336 7.774
21 HG CGU 4 HG GLA 4 9.124 -2.302 10.039
22 H LEU 5 HN LEU 5 8.420 1.374 7.256
23 HA LEU 5 HA LEU 5 8.334 0.924 4.395
24 HB2 LEU 5 HB2 LEU 5 6.656 2.417 5.110
25 HB3 LEU 5 HB1 LEU 5 7.730 3.207 6.261
26 HG LEU 5 HG LEU 5 8.958 4.264 4.406
27 HD11 LEU 5 HD11 LEU 5 6.811 3.200 2.563
28 HD12 LEU 5 HD12 LEU 5 8.349 2.366 2.771
29 HD13 LEU 5 HD13 LEU 5 8.318 4.005 2.127
30 HD21 LEU 5 HD21 LEU 5 6.529 4.982 5.403
31 HD22 LEU 5 HD22 LEU 5 6.166 4.917 3.678
32 HD23 LEU 5 HD23 LEU 5 7.452 5.970 4.270
33 H ALA 6 HN ALA 6 10.558 2.448 6.641
34 HA ALA 6 HA ALA 6 12.131 3.754 4.552
35 HB1 ALA 6 HB1 ALA 6 13.744 3.382 6.866
36 HB2 ALA 6 HB2 ALA 6 12.112 3.742 7.430
37 HB3 ALA 6 HB3 ALA 6 12.935 4.859 6.342
38 H CGU 7 HN GLA 7 12.330 0.690 6.334
39 HA CGU 7 HA GLA 7 14.931 -0.040 5.378
40 HB2 CGU 7 HB1 GLA 7 14.309 -2.341 6.006
41 HB3 CGU 7 HB2 GLA 7 12.626 -1.851 6.169
42 HG CGU 7 HG GLA 7 13.372 -0.168 7.896
43 H LYS 8 HN LYS 8 11.731 -0.196 3.920
44 HA LYS 8 HA LYS 8 12.542 -1.996 1.782
45 HB2 LYS 8 HB2 LYS 8 10.135 -0.397 2.467
46 HB3 LYS 8 HB1 LYS 8 10.377 -0.742 0.755
47 HG2 LYS 8 HG2 LYS 8 9.055 -2.533 1.727
48 HG3 LYS 8 HG1 LYS 8 10.658 -3.161 1.339
49 HD2 LYS 8 HD2 LYS 8 11.319 -2.671 3.736
50 HD3 LYS 8 HD1 LYS 8 9.617 -2.333 4.058
51 HE2 LYS 8 HE2 LYS 8 10.782 -4.946 3.057
52 HE3 LYS 8 HE1 LYS 8 10.060 -4.650 4.638
53 HZ1 LYS 8 HZ1 LYS 8 8.640 -4.407 2.042
54 HZ2 LYS 8 HZ2 LYS 8 7.957 -4.197 3.584
55 HZ3 LYS 8 HZ3 LYS 8 8.516 -5.727 3.101
56 H ALA 9 HN ALA 9 12.404 1.516 2.228
57 HA ALA 9 HA ALA 9 13.100 2.044 -0.568
58 HB1 ALA 9 HB1 ALA 9 13.001 3.826 1.883
59 HB2 ALA 9 HB2 ALA 9 11.788 3.709 0.608
60 HB3 ALA 9 HB3 ALA 9 13.370 4.405 0.258
61 H ALA 10 HN ALA 10 14.792 1.679 2.494
62 HA ALA 10 HA ALA 10 17.299 2.803 1.636
63 HB1 ALA 10 HB1 ALA 10 18.193 1.241 3.516
64 HB2 ALA 10 HB2 ALA 10 16.491 0.890 3.821
65 HB3 ALA 10 HB3 ALA 10 17.090 2.542 3.969
66 H CGU 11 HN GLA 11 15.780 -0.331 1.219
67 HA CGU 11 HA GLA 11 18.266 -1.601 0.299
68 HB2 CGU 11 HB1 GLA 11 15.392 -2.558 0.007
69 HB3 CGU 11 HB2 GLA 11 16.499 -3.024 1.307
70 HG CGU 11 HG GLA 11 17.319 -3.440 -1.559
71 H PHE 12 HN PHE 12 15.229 -0.515 -1.290
72 HA PHE 12 HA PHE 12 15.924 -1.057 -3.967
73 HB2 PHE 12 HB2 PHE 12 14.768 1.660 -3.176
74 HB3 PHE 12 HB1 PHE 12 14.458 0.712 -4.660
75 HD1 PHE 12 HD1 PHE 12 12.216 1.740 -2.913
76 HD2 PHE 12 HD2 PHE 12 14.391 -1.973 -2.726
77 HE1 PHE 12 HE1 PHE 12 10.283 0.652 -1.831
78 HE2 PHE 12 HE2 PHE 12 12.451 -3.044 -1.646
79 HZ PHE 12 HZ PHE 12 10.397 -1.739 -1.198
80 H ALA 13 HN ALA 13 17.284 1.293 -1.758
81 HA ALA 13 HA ALA 13 18.747 2.812 -3.749
82 HB1 ALA 13 HB1 ALA 13 19.123 4.062 -1.904
83 HB2 ALA 13 HB2 ALA 13 20.279 2.840 -1.375
84 HB3 ALA 13 HB3 ALA 13 18.597 2.749 -0.851
85 H ARG 14 HN ARG 14 19.892 0.251 -1.475
86 HA ARG 14 HA ARG 14 22.470 -0.097 -2.441
87 HB2 ARG 14 HB2 ARG 14 20.442 -2.052 -1.387
88 HB3 ARG 14 HB1 ARG 14 21.992 -2.643 -1.984
89 HG2 ARG 14 HG2 ARG 14 22.198 -2.231 0.399
90 HG3 ARG 14 HG1 ARG 14 23.136 -1.010 -0.460
91 HD2 ARG 14 HD2 ARG 14 21.345 0.617 -0.203
92 HD3 ARG 14 HD1 ARG 14 20.299 -0.602 0.524
93 HE ARG 14 HE ARG 14 21.338 -0.045 2.551
94 HH11 ARG 14 HH11 ARG 14 23.361 0.786 -0.095
95 HH12 ARG 14 HH12 ARG 14 24.764 1.060 0.884
96 HH21 ARG 14 HH21 ARG 14 23.221 0.097 3.835
97 HH22 ARG 14 HH22 ARG 14 24.685 0.670 3.108
98 H CGU 15 HN GLA 15 19.471 -1.116 -4.023
99 HA CGU 15 HA GLA 15 20.981 -2.585 -6.098
100 HB2 CGU 15 HB1 GLA 15 18.955 -3.412 -6.841
101 HB3 CGU 15 HB2 GLA 15 18.073 -1.940 -6.441
102 HG CGU 15 HG GLA 15 18.091 -2.492 -4.091
103 H LEU 16 HN LEU 16 19.387 0.528 -5.677
104 HA LEU 16 HA LEU 16 19.309 1.312 -8.421
105 HB2 LEU 16 HB2 LEU 16 18.226 2.503 -6.443
106 HB3 LEU 16 HB1 LEU 16 19.819 3.169 -6.085
107 HG LEU 16 HG LEU 16 18.454 3.452 -8.774
108 HD11 LEU 16 HD11 LEU 16 17.102 4.907 -7.670
109 HD12 LEU 16 HD12 LEU 16 18.520 5.956 -7.653
110 HD13 LEU 16 HD13 LEU 16 18.150 4.948 -6.253
111 HD21 LEU 16 HD21 LEU 16 21.041 4.301 -7.569
112 HD22 LEU 16 HD22 LEU 16 20.222 5.483 -8.588
113 HD23 LEU 16 HD23 LEU 16 20.658 3.906 -9.244
114 H ALA 17 HN ALA 17 21.785 1.988 -5.920
115 HA ALA 17 HA ALA 17 23.628 3.336 -7.576
116 HB1 ALA 17 HB1 ALA 17 25.366 2.351 -5.956
117 HB2 ALA 17 HB2 ALA 17 24.006 1.553 -5.168
118 HB3 ALA 17 HB3 ALA 17 24.073 3.313 -5.240
119 H ASN 18 HN ASN 18 22.846 -0.059 -7.386
120 HA ASN 18 HA ASN 18 25.242 -0.841 -8.931
121 HB2 ASN 18 HB2 ASN 18 22.969 -2.742 -8.552
122 HB3 ASN 18 HB1 ASN 18 24.705 -3.021 -8.430
123 HD21 ASN 18 HD21 ASN 18 24.641 -0.369 -6.661
124 HD22 ASN 18 HD22 ASN 18 24.217 -0.994 -5.113
125 H TYR 19 HN TYR 19 22.585 0.767 -9.836
126 HA TYR 19 HA TYR 19 21.868 -0.849 -12.184
127 HB2 TYR 19 HB2 TYR 19 20.017 0.328 -11.337
128 HB3 TYR 19 HB1 TYR 19 20.961 1.788 -11.047
129 HD1 TYR 19 HD1 TYR 19 20.258 -0.477 -13.953
130 HD2 TYR 19 HD2 TYR 19 20.513 3.547 -12.477
131 HE1 TYR 19 HE1 TYR 19 19.626 0.383 -16.195
132 HE2 TYR 19 HE2 TYR 19 19.880 4.410 -14.718
133 HH TYR 19 HH TYR 19 19.905 2.485 -17.499
134 HN1 NH2 20 H1 NH2 20 24.083 1.743 -11.380
135 HN2 NH2 20 H2 NH2 20 24.610 2.054 -12.990
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 6.340 7.332 8.103
2 H2 GLY 1 HT2 GLY 1 7.283 6.038 8.672
3 H3 GLY 1 HT3 GLY 1 7.330 7.542 9.463
4 HA2 GLY 1 HA1 GLY 1 5.547 7.095 10.690
5 HA3 GLY 1 HA2 GLY 1 4.674 6.485 9.283
6 H GLU 2 HN GLU 2 6.798 4.531 8.626
7 HA GLU 2 HA GLU 2 6.444 2.649 10.922
8 HB2 GLU 2 HB2 GLU 2 4.962 2.198 8.881
9 HB3 GLU 2 HB1 GLU 2 6.449 1.817 8.012
10 HG2 GLU 2 HG2 GLU 2 5.523 -0.249 8.882
11 HG3 GLU 2 HG1 GLU 2 6.986 0.130 9.791
12 H CGU 3 HN GLA 3 8.118 0.923 10.977
13 HA CGU 3 HA GLA 3 10.747 2.057 10.234
14 HB2 CGU 3 HB1 GLA 3 10.060 -0.468 11.778
15 HB3 CGU 3 HB2 GLA 3 10.403 1.102 12.498
16 HG CGU 3 HG GLA 3 12.312 -0.449 10.719
17 H CGU 4 HN GLA 4 8.577 -0.475 9.223
18 HA CGU 4 HA GLA 4 10.597 -1.950 7.713
19 HB2 CGU 4 HB1 GLA 4 8.740 -3.241 6.848
20 HB3 CGU 4 HB2 GLA 4 7.586 -2.008 7.362
21 HG CGU 4 HG GLA 4 9.421 -3.272 9.371
22 H LEU 5 HN LEU 5 8.619 0.805 7.243
23 HA LEU 5 HA LEU 5 8.692 0.791 4.333
24 HB2 LEU 5 HB2 LEU 5 6.880 2.056 5.158
25 HB3 LEU 5 HB1 LEU 5 7.835 2.718 6.482
26 HG LEU 5 HG LEU 5 9.090 4.119 4.897
27 HD11 LEU 5 HD11 LEU 5 7.146 3.176 2.776
28 HD12 LEU 5 HD12 LEU 5 8.756 2.484 2.952
29 HD13 LEU 5 HD13 LEU 5 8.570 4.191 2.559
30 HD21 LEU 5 HD21 LEU 5 7.281 5.661 4.354
31 HD22 LEU 5 HD22 LEU 5 6.967 4.930 5.928
32 HD23 LEU 5 HD23 LEU 5 6.095 4.364 4.504
33 H ALA 6 HN ALA 6 10.619 2.198 6.939
34 HA ALA 6 HA ALA 6 12.239 3.847 5.177
35 HB1 ALA 6 HB1 ALA 6 11.951 3.776 7.885
36 HB2 ALA 6 HB2 ALA 6 13.312 4.548 7.071
37 HB3 ALA 6 HB3 ALA 6 13.479 2.911 7.705
38 H CGU 7 HN GLA 7 12.425 0.521 6.321
39 HA CGU 7 HA GLA 7 15.147 0.104 5.408
40 HB2 CGU 7 HB1 GLA 7 14.667 -2.286 5.747
41 HB3 CGU 7 HB2 GLA 7 12.952 -1.929 5.928
42 HG CGU 7 HG GLA 7 13.552 -0.431 7.865
43 H LYS 8 HN LYS 8 11.976 -0.060 3.886
44 HA LYS 8 HA LYS 8 13.032 -1.478 1.540
45 HB2 LYS 8 HB2 LYS 8 10.356 -0.163 2.067
46 HB3 LYS 8 HB1 LYS 8 10.750 -1.049 0.596
47 HG2 LYS 8 HG2 LYS 8 11.085 -2.304 3.321
48 HG3 LYS 8 HG1 LYS 8 9.540 -2.348 2.472
49 HD2 LYS 8 HD2 LYS 8 10.767 -3.328 0.486
50 HD3 LYS 8 HD1 LYS 8 12.184 -3.483 1.526
51 HE2 LYS 8 HE2 LYS 8 9.472 -4.701 2.116
52 HE3 LYS 8 HE1 LYS 8 10.847 -5.580 1.446
53 HZ1 LYS 8 HZ1 LYS 8 11.523 -4.081 3.790
54 HZ2 LYS 8 HZ2 LYS 8 11.801 -5.719 3.434
55 HZ3 LYS 8 HZ3 LYS 8 10.312 -5.230 4.090
56 H ALA 9 HN ALA 9 12.502 1.861 2.503
57 HA ALA 9 HA ALA 9 12.686 2.908 -0.209
58 HB1 ALA 9 HB1 ALA 9 11.549 4.114 1.685
59 HB2 ALA 9 HB2 ALA 9 12.755 5.092 0.850
60 HB3 ALA 9 HB3 ALA 9 13.136 4.367 2.412
61 H ALA 10 HN ALA 10 14.896 2.998 2.610
62 HA ALA 10 HA ALA 10 17.123 4.072 1.214
63 HB1 ALA 10 HB1 ALA 10 17.473 4.084 3.501
64 HB2 ALA 10 HB2 ALA 10 18.392 2.641 3.070
65 HB3 ALA 10 HB3 ALA 10 16.761 2.486 3.724
66 H CGU 11 HN GLA 11 16.029 0.717 1.612
67 HA CGU 11 HA GLA 11 18.349 -0.473 0.383
68 HB2 CGU 11 HB1 GLA 11 15.522 -1.407 0.879
69 HB3 CGU 11 HB2 GLA 11 17.022 -2.048 1.556
70 HG CGU 11 HG GLA 11 17.590 -2.631 -0.934
71 H PHE 12 HN PHE 12 15.133 0.384 -0.932
72 HA PHE 12 HA PHE 12 15.534 -0.446 -3.609
73 HB2 PHE 12 HB2 PHE 12 13.383 0.661 -3.078
74 HB3 PHE 12 HB1 PHE 12 14.227 2.218 -2.769
75 HD1 PHE 12 HD1 PHE 12 14.305 -0.414 -5.512
76 HD2 PHE 12 HD2 PHE 12 13.984 3.765 -4.529
77 HE1 PHE 12 HE1 PHE 12 14.157 0.145 -7.908
78 HE2 PHE 12 HE2 PHE 12 13.835 4.308 -6.929
79 HZ PHE 12 HZ PHE 12 13.922 2.504 -8.622
80 H ALA 13 HN ALA 13 17.015 2.238 -1.906
81 HA ALA 13 HA ALA 13 18.211 3.503 -4.206
82 HB1 ALA 13 HB1 ALA 13 19.324 4.860 -2.716
83 HB2 ALA 13 HB2 ALA 13 19.721 3.527 -1.633
84 HB3 ALA 13 HB3 ALA 13 18.101 4.226 -1.616
85 H ARG 14 HN ARG 14 19.670 1.208 -1.839
86 HA ARG 14 HA ARG 14 22.161 0.865 -2.990
87 HB2 ARG 14 HB2 ARG 14 20.389 -1.358 -1.929
88 HB3 ARG 14 HB1 ARG 14 22.144 -1.422 -2.086
89 HG2 ARG 14 HG2 ARG 14 20.621 0.562 -0.371
90 HG3 ARG 14 HG1 ARG 14 21.453 -0.871 0.232
91 HD2 ARG 14 HD2 ARG 14 23.527 0.122 -1.016
92 HD3 ARG 14 HD1 ARG 14 22.625 1.636 -0.949
93 HE ARG 14 HE ARG 14 24.020 0.467 1.252
94 HH11 ARG 14 HH11 ARG 14 21.835 -0.083 2.787
95 HH12 ARG 14 HH12 ARG 14 21.181 1.428 3.324
96 HH21 ARG 14 HH21 ARG 14 22.835 3.301 0.918
97 HH22 ARG 14 HH22 ARG 14 21.746 3.345 2.264
98 H CGU 15 HN GLA 15 19.131 -0.737 -4.027
99 HA CGU 15 HA GLA 15 20.239 -2.403 -6.053
100 HB2 CGU 15 HB1 GLA 15 18.086 -2.527 -7.013
101 HB3 CGU 15 HB2 GLA 15 17.664 -0.885 -6.534
102 HG CGU 15 HG GLA 15 17.352 -1.522 -4.265
103 H LEU 16 HN LEU 16 19.036 0.962 -6.410
104 HA LEU 16 HA LEU 16 19.743 1.355 -9.100
105 HB2 LEU 16 HB2 LEU 16 19.561 3.172 -6.721
106 HB3 LEU 16 HB1 LEU 16 20.252 3.800 -8.218
107 HG LEU 16 HG LEU 16 17.786 4.174 -8.057
108 HD11 LEU 16 HD11 LEU 16 17.986 2.200 -10.249
109 HD12 LEU 16 HD12 LEU 16 19.265 3.416 -10.224
110 HD13 LEU 16 HD13 LEU 16 17.575 3.914 -10.310
111 HD21 LEU 16 HD21 LEU 16 17.236 2.125 -6.799
112 HD22 LEU 16 HD22 LEU 16 17.712 1.143 -8.184
113 HD23 LEU 16 HD23 LEU 16 16.309 2.204 -8.298
114 H ALA 17 HN ALA 17 21.795 1.048 -6.309
115 HA ALA 17 HA ALA 17 24.143 2.198 -7.633
116 HB1 ALA 17 HB1 ALA 17 24.358 0.417 -5.236
117 HB2 ALA 17 HB2 ALA 17 23.568 1.983 -5.049
118 HB3 ALA 17 HB3 ALA 17 25.238 1.899 -5.611
119 H ASN 18 HN ASN 18 22.687 -0.961 -7.214
120 HA ASN 18 HA ASN 18 25.093 -2.360 -8.210
121 HB2 ASN 18 HB2 ASN 18 22.445 -3.743 -8.099
122 HB3 ASN 18 HB1 ASN 18 24.037 -4.316 -7.605
123 HD21 ASN 18 HD21 ASN 18 24.241 -1.507 -6.142
124 HD22 ASN 18 HD22 ASN 18 23.417 -1.816 -4.661
125 H TYR 19 HN TYR 19 23.150 -0.367 -9.743
126 HA TYR 19 HA TYR 19 22.441 -2.081 -12.039
127 HB2 TYR 19 HB2 TYR 19 20.745 -0.527 -11.753
128 HB3 TYR 19 HB1 TYR 19 21.846 0.725 -11.182
129 HD1 TYR 19 HD1 TYR 19 23.552 1.665 -12.911
130 HD2 TYR 19 HD2 TYR 19 20.007 -0.514 -13.972
131 HE1 TYR 19 HE1 TYR 19 23.654 2.616 -15.200
132 HE2 TYR 19 HE2 TYR 19 20.108 0.436 -16.263
133 HH TYR 19 HH TYR 19 21.259 1.700 -17.677
134 HN1 NH2 20 H1 NH2 20 24.878 0.318 -11.115
135 HN2 NH2 20 H2 NH2 20 25.756 0.255 -12.596
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 6.461 2.623 13.789
2 H2 GLY 1 HT2 GLY 1 5.835 3.637 15.000
3 H3 GLY 1 HT3 GLY 1 7.478 3.729 14.575
4 HA2 GLY 1 HA1 GLY 1 5.135 4.822 13.221
5 HA3 GLY 1 HA2 GLY 1 6.758 5.496 13.384
6 H GLU 2 HN GLU 2 7.156 5.851 11.184
7 HA GLU 2 HA GLU 2 6.685 3.731 9.217
8 HB2 GLU 2 HB2 GLU 2 8.287 6.277 8.862
9 HB3 GLU 2 HB1 GLU 2 7.535 5.300 7.601
10 HG2 GLU 2 HG2 GLU 2 5.970 6.661 9.809
11 HG3 GLU 2 HG1 GLU 2 6.242 7.384 8.224
12 H CGU 3 HN GLA 3 8.060 2.104 10.337
13 HA CGU 3 HA GLA 3 10.982 2.603 9.942
14 HB2 CGU 3 HB1 GLA 3 9.594 0.530 11.670
15 HB3 CGU 3 HB2 GLA 3 10.314 2.028 12.254
16 HG CGU 3 HG GLA 3 11.817 -0.151 10.768
17 H CGU 4 HN GLA 4 8.283 0.635 9.002
18 HA CGU 4 HA GLA 4 9.969 -1.434 7.761
19 HB2 CGU 4 HB1 GLA 4 7.948 -2.523 7.166
20 HB3 CGU 4 HB2 GLA 4 7.017 -1.028 7.246
21 HG CGU 4 HG GLA 4 8.401 -2.217 9.652
22 H LEU 5 HN LEU 5 8.427 1.540 6.904
23 HA LEU 5 HA LEU 5 8.580 1.121 4.021
24 HB2 LEU 5 HB2 LEU 5 8.100 3.595 5.712
25 HB3 LEU 5 HB1 LEU 5 8.137 3.617 3.958
26 HG LEU 5 HG LEU 5 5.835 3.343 5.144
27 HD11 LEU 5 HD11 LEU 5 5.643 3.090 2.868
28 HD12 LEU 5 HD12 LEU 5 5.355 1.415 3.334
29 HD13 LEU 5 HD13 LEU 5 6.953 1.912 2.782
30 HD21 LEU 5 HD21 LEU 5 6.837 0.481 5.218
31 HD22 LEU 5 HD22 LEU 5 5.242 1.053 5.702
32 HD23 LEU 5 HD23 LEU 5 6.662 1.506 6.643
33 H ALA 6 HN ALA 6 10.706 2.228 6.517
34 HA ALA 6 HA ALA 6 12.530 3.579 4.639
35 HB1 ALA 6 HB1 ALA 6 13.408 2.812 7.398
36 HB2 ALA 6 HB2 ALA 6 12.152 4.040 7.239
37 HB3 ALA 6 HB3 ALA 6 13.728 4.290 6.492
38 H CGU 7 HN GLA 7 12.299 0.478 6.325
39 HA CGU 7 HA GLA 7 14.934 -0.433 5.590
40 HB2 CGU 7 HB1 GLA 7 14.057 -2.691 6.163
41 HB3 CGU 7 HB2 GLA 7 12.439 -2.019 6.288
42 HG CGU 7 HG GLA 7 13.280 -0.451 8.048
43 H LYS 8 HN LYS 8 11.809 -0.422 3.954
44 HA LYS 8 HA LYS 8 12.714 -2.247 1.859
45 HB2 LYS 8 HB2 LYS 8 10.264 -0.494 2.154
46 HB3 LYS 8 HB1 LYS 8 10.568 -1.484 0.728
47 HG2 LYS 8 HG2 LYS 8 10.608 -3.505 2.067
48 HG3 LYS 8 HG1 LYS 8 10.492 -2.568 3.557
49 HD2 LYS 8 HD2 LYS 8 8.274 -1.741 2.874
50 HD3 LYS 8 HD1 LYS 8 8.387 -2.662 1.373
51 HE2 LYS 8 HE2 LYS 8 7.055 -3.866 3.088
52 HE3 LYS 8 HE1 LYS 8 8.509 -4.759 2.644
53 HZ1 LYS 8 HZ1 LYS 8 7.758 -4.007 5.172
54 HZ2 LYS 8 HZ2 LYS 8 9.014 -2.936 4.770
55 HZ3 LYS 8 HZ3 LYS 8 9.271 -4.614 4.707
56 H ALA 9 HN ALA 9 12.616 1.246 2.356
57 HA ALA 9 HA ALA 9 13.327 1.796 -0.442
58 HB1 ALA 9 HB1 ALA 9 13.685 4.157 0.557
59 HB2 ALA 9 HB2 ALA 9 12.993 3.490 2.036
60 HB3 ALA 9 HB3 ALA 9 12.040 3.520 0.553
61 H ALA 10 HN ALA 10 14.920 1.215 2.595
62 HA ALA 10 HA ALA 10 17.455 2.419 1.908
63 HB1 ALA 10 HB1 ALA 10 17.340 2.024 4.188
64 HB2 ALA 10 HB2 ALA 10 18.211 0.576 3.683
65 HB3 ALA 10 HB3 ALA 10 16.476 0.500 3.984
66 H CGU 11 HN GLA 11 16.018 -0.788 1.454
67 HA CGU 11 HA GLA 11 18.496 -1.910 0.386
68 HB2 CGU 11 HB1 GLA 11 15.632 -2.900 0.413
69 HB3 CGU 11 HB2 GLA 11 16.998 -3.530 1.339
70 HG CGU 11 HG GLA 11 17.990 -3.816 -1.159
71 H PHE 12 HN PHE 12 15.340 -1.026 -1.131
72 HA PHE 12 HA PHE 12 16.087 -1.466 -3.817
73 HB2 PHE 12 HB2 PHE 12 14.610 1.086 -3.004
74 HB3 PHE 12 HB1 PHE 12 14.436 0.141 -4.511
75 HD1 PHE 12 HD1 PHE 12 14.395 -2.672 -3.225
76 HD2 PHE 12 HD2 PHE 12 12.326 0.960 -2.197
77 HE1 PHE 12 HE1 PHE 12 12.586 -3.986 -2.188
78 HE2 PHE 12 HE2 PHE 12 10.523 -0.368 -1.162
79 HZ PHE 12 HZ PHE 12 10.649 -2.840 -1.154
80 H ALA 13 HN ALA 13 17.161 1.030 -1.609
81 HA ALA 13 HA ALA 13 18.400 2.747 -3.569
82 HB1 ALA 13 HB1 ALA 13 18.490 2.457 -0.644
83 HB2 ALA 13 HB2 ALA 13 18.590 3.916 -1.629
84 HB3 ALA 13 HB3 ALA 13 20.036 2.953 -1.336
85 H ARG 14 HN ARG 14 19.882 0.216 -1.477
86 HA ARG 14 HA ARG 14 22.449 0.186 -2.517
87 HB2 ARG 14 HB2 ARG 14 20.763 -2.246 -1.841
88 HB3 ARG 14 HB1 ARG 14 22.526 -2.202 -1.913
89 HG2 ARG 14 HG2 ARG 14 20.732 -0.704 0.016
90 HG3 ARG 14 HG1 ARG 14 21.892 -1.974 0.405
91 HD2 ARG 14 HD2 ARG 14 22.430 0.867 -0.441
92 HD3 ARG 14 HD1 ARG 14 23.056 -0.007 0.956
93 HE ARG 14 HE ARG 14 23.919 -1.232 -1.522
94 HH11 ARG 14 HH11 ARG 14 25.047 0.043 1.289
95 HH12 ARG 14 HH12 ARG 14 26.440 0.826 0.622
96 HH21 ARG 14 HH21 ARG 14 25.458 0.360 -2.670
97 HH22 ARG 14 HH22 ARG 14 26.672 1.008 -1.619
98 H CGU 15 HN GLA 15 19.564 -1.365 -3.946
99 HA CGU 15 HA GLA 15 21.100 -2.457 -6.190
100 HB2 CGU 15 HB1 GLA 15 19.097 -3.341 -6.984
101 HB3 CGU 15 HB2 GLA 15 18.129 -2.002 -6.376
102 HG CGU 15 HG GLA 15 18.302 -2.820 -4.114
103 H LEU 16 HN LEU 16 18.839 0.281 -5.785
104 HA LEU 16 HA LEU 16 18.889 1.282 -8.406
105 HB2 LEU 16 HB2 LEU 16 17.616 2.151 -6.316
106 HB3 LEU 16 HB1 LEU 16 19.063 3.113 -6.015
107 HG LEU 16 HG LEU 16 17.605 3.127 -8.668
108 HD11 LEU 16 HD11 LEU 16 16.748 5.376 -7.849
109 HD12 LEU 16 HD12 LEU 16 17.273 4.898 -6.234
110 HD13 LEU 16 HD13 LEU 16 16.027 3.969 -7.067
111 HD21 LEU 16 HD21 LEU 16 19.553 4.172 -9.212
112 HD22 LEU 16 HD22 LEU 16 19.999 4.411 -7.523
113 HD23 LEU 16 HD23 LEU 16 18.893 5.537 -8.310
114 H ALA 17 HN ALA 17 21.320 1.520 -5.868
115 HA ALA 17 HA ALA 17 22.968 3.466 -7.240
116 HB1 ALA 17 HB1 ALA 17 23.373 3.320 -4.925
117 HB2 ALA 17 HB2 ALA 17 24.752 2.473 -5.627
118 HB3 ALA 17 HB3 ALA 17 23.405 1.557 -4.949
119 H ASN 18 HN ASN 18 22.697 -0.036 -7.302
120 HA ASN 18 HA ASN 18 25.190 -0.349 -8.849
121 HB2 ASN 18 HB2 ASN 18 23.132 -2.529 -8.711
122 HB3 ASN 18 HB1 ASN 18 24.890 -2.634 -8.632
123 HD21 ASN 18 HD21 ASN 18 24.616 -0.208 -6.609
124 HD22 ASN 18 HD22 ASN 18 24.283 -1.017 -5.124
125 H TYR 19 HN TYR 19 22.580 1.160 -9.744
126 HA TYR 19 HA TYR 19 22.115 -0.295 -12.291
127 HB2 TYR 19 HB2 TYR 19 20.036 0.340 -11.457
128 HB3 TYR 19 HB1 TYR 19 20.659 1.835 -10.761
129 HD1 TYR 19 HD1 TYR 19 21.487 3.656 -12.394
130 HD2 TYR 19 HD2 TYR 19 19.004 0.354 -13.564
131 HE1 TYR 19 HE1 TYR 19 20.804 4.893 -14.436
132 HE2 TYR 19 HE2 TYR 19 18.319 1.588 -15.606
133 HH TYR 19 HH TYR 19 19.932 4.241 -16.776
134 HN1 NH2 20 H1 NH2 20 23.572 2.663 -11.000
135 HN2 NH2 20 H2 NH2 20 24.137 3.259 -12.515
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 1.839 0.694 9.073
2 H2 GLY 1 HT2 GLY 1 1.975 1.344 7.509
3 H3 GLY 1 HT3 GLY 1 2.223 2.333 8.869
4 HA2 GLY 1 HA1 GLY 1 4.026 0.381 9.292
5 HA3 GLY 1 HA2 GLY 1 4.042 0.537 7.535
6 H GLU 2 HN GLU 2 6.052 1.394 9.615
7 HA GLU 2 HA GLU 2 6.463 4.108 8.525
8 HB2 GLU 2 HB2 GLU 2 5.207 4.601 10.541
9 HB3 GLU 2 HB1 GLU 2 6.234 3.528 11.492
10 HG2 GLU 2 HG2 GLU 2 6.888 5.894 11.797
11 HG3 GLU 2 HG1 GLU 2 8.179 4.964 11.038
12 H CGU 3 HN GLA 3 7.652 1.454 10.559
13 HA CGU 3 HA GLA 3 10.444 2.383 10.189
14 HB2 CGU 3 HB1 GLA 3 9.353 -0.052 11.640
15 HB3 CGU 3 HB2 GLA 3 9.748 1.491 12.393
16 HG CGU 3 HG GLA 3 11.696 -0.278 10.885
17 H CGU 4 HN GLA 4 8.199 0.061 8.913
18 HA CGU 4 HA GLA 4 10.284 -1.562 7.624
19 HB2 CGU 4 HB1 GLA 4 8.495 -2.872 6.745
20 HB3 CGU 4 HB2 GLA 4 7.332 -1.561 6.950
21 HG CGU 4 HG GLA 4 8.798 -2.792 9.281
22 H LEU 5 HN LEU 5 8.369 1.219 6.947
23 HA LEU 5 HA LEU 5 8.666 1.146 4.058
24 HB2 LEU 5 HB2 LEU 5 7.928 3.378 5.980
25 HB3 LEU 5 HB1 LEU 5 7.994 3.583 4.239
26 HG LEU 5 HG LEU 5 5.704 3.005 5.308
27 HD11 LEU 5 HD11 LEU 5 6.607 1.170 3.085
28 HD12 LEU 5 HD12 LEU 5 6.408 2.905 2.841
29 HD13 LEU 5 HD13 LEU 5 5.025 1.916 3.309
30 HD21 LEU 5 HD21 LEU 5 5.289 0.648 5.687
31 HD22 LEU 5 HD22 LEU 5 6.665 1.124 6.682
32 HD23 LEU 5 HD23 LEU 5 6.926 0.232 5.182
33 H ALA 6 HN ALA 6 10.624 2.170 6.727
34 HA ALA 6 HA ALA 6 12.364 3.850 5.034
35 HB1 ALA 6 HB1 ALA 6 13.247 2.985 7.752
36 HB2 ALA 6 HB2 ALA 6 11.836 4.039 7.658
37 HB3 ALA 6 HB3 ALA 6 13.376 4.565 6.979
38 H CGU 7 HN GLA 7 12.408 0.633 6.521
39 HA CGU 7 HA GLA 7 15.146 0.063 5.797
40 HB2 CGU 7 HB1 GLA 7 14.605 -2.257 6.335
41 HB3 CGU 7 HB2 GLA 7 12.885 -1.899 6.291
42 HG CGU 7 HG GLA 7 13.270 -0.227 8.140
43 H LYS 8 HN LYS 8 12.075 -0.146 4.099
44 HA LYS 8 HA LYS 8 13.214 -1.772 1.936
45 HB2 LYS 8 HB2 LYS 8 10.548 -0.421 2.359
46 HB3 LYS 8 HB1 LYS 8 10.976 -1.163 0.817
47 HG2 LYS 8 HG2 LYS 8 11.451 -3.297 2.017
48 HG3 LYS 8 HG1 LYS 8 10.900 -2.543 3.515
49 HD2 LYS 8 HD2 LYS 8 8.684 -2.166 2.542
50 HD3 LYS 8 HD1 LYS 8 9.224 -2.844 1.006
51 HE2 LYS 8 HE2 LYS 8 8.074 -4.614 2.127
52 HE3 LYS 8 HE1 LYS 8 9.793 -4.971 2.300
53 HZ1 LYS 8 HZ1 LYS 8 9.658 -4.768 4.493
54 HZ2 LYS 8 HZ2 LYS 8 7.967 -4.740 4.325
55 HZ3 LYS 8 HZ3 LYS 8 8.841 -3.284 4.391
56 H ALA 9 HN ALA 9 12.660 1.654 2.595
57 HA ALA 9 HA ALA 9 13.096 2.493 -0.149
58 HB1 ALA 9 HB1 ALA 9 13.762 4.655 1.468
59 HB2 ALA 9 HB2 ALA 9 12.588 3.763 2.438
60 HB3 ALA 9 HB3 ALA 9 12.157 4.312 0.818
61 H ALA 10 HN ALA 10 15.129 2.278 2.769
62 HA ALA 10 HA ALA 10 17.491 3.370 1.557
63 HB1 ALA 10 HB1 ALA 10 17.329 1.337 3.804
64 HB2 ALA 10 HB2 ALA 10 17.156 3.078 4.026
65 HB3 ALA 10 HB3 ALA 10 18.684 2.408 3.451
66 H CGU 11 HN GLA 11 16.148 0.100 1.718
67 HA CGU 11 HA GLA 11 18.483 -1.187 0.580
68 HB2 CGU 11 HB1 GLA 11 15.596 -1.998 0.953
69 HB3 CGU 11 HB2 GLA 11 17.036 -2.707 1.691
70 HG CGU 11 HG GLA 11 17.698 -3.303 -0.764
71 H PHE 12 HN PHE 12 15.308 -0.306 -0.830
72 HA PHE 12 HA PHE 12 15.831 -1.048 -3.510
73 HB2 PHE 12 HB2 PHE 12 13.641 0.005 -3.021
74 HB3 PHE 12 HB1 PHE 12 14.448 1.570 -2.653
75 HD1 PHE 12 HD1 PHE 12 14.673 -1.001 -5.448
76 HD2 PHE 12 HD2 PHE 12 14.216 3.147 -4.387
77 HE1 PHE 12 HE1 PHE 12 14.587 -0.391 -7.836
78 HE2 PHE 12 HE2 PHE 12 14.131 3.740 -6.780
79 HZ PHE 12 HZ PHE 12 14.315 1.975 -8.506
80 H ALA 13 HN ALA 13 17.214 1.579 -1.663
81 HA ALA 13 HA ALA 13 18.448 2.976 -3.863
82 HB1 ALA 13 HB1 ALA 13 20.087 3.019 -1.451
83 HB2 ALA 13 HB2 ALA 13 18.388 3.313 -1.079
84 HB3 ALA 13 HB3 ALA 13 19.227 4.343 -2.238
85 H ARG 14 HN ARG 14 19.903 0.604 -1.568
86 HA ARG 14 HA ARG 14 22.400 0.318 -2.742
87 HB2 ARG 14 HB2 ARG 14 20.574 -1.695 -1.435
88 HB3 ARG 14 HB1 ARG 14 22.132 -2.200 -2.088
89 HG2 ARG 14 HG2 ARG 14 22.292 -1.596 0.316
90 HG3 ARG 14 HG1 ARG 14 23.286 -0.546 -0.695
91 HD2 ARG 14 HD2 ARG 14 21.565 1.188 -0.645
92 HD3 ARG 14 HD1 ARG 14 20.492 0.132 0.274
93 HE ARG 14 HE ARG 14 22.461 1.783 1.441
94 HH11 ARG 14 HH11 ARG 14 20.668 -1.033 1.912
95 HH12 ARG 14 HH12 ARG 14 21.565 -1.576 3.292
96 HH21 ARG 14 HH21 ARG 14 23.993 0.886 3.011
97 HH22 ARG 14 HH22 ARG 14 23.450 -0.491 3.912
98 H CGU 15 HN GLA 15 19.354 -1.179 -3.845
99 HA CGU 15 HA GLA 15 20.601 -2.690 -5.988
100 HB2 CGU 15 HB1 GLA 15 18.445 -3.245 -6.689
101 HB3 CGU 15 HB2 GLA 15 17.766 -1.692 -6.212
102 HG CGU 15 HG GLA 15 17.761 -2.297 -3.907
103 H LEU 16 HN LEU 16 19.390 0.600 -5.687
104 HA LEU 16 HA LEU 16 19.310 1.273 -8.457
105 HB2 LEU 16 HB2 LEU 16 18.400 2.709 -6.637
106 HB3 LEU 16 HB1 LEU 16 20.047 3.063 -6.117
107 HG LEU 16 HG LEU 16 19.077 3.593 -8.934
108 HD11 LEU 16 HD11 LEU 16 17.712 4.909 -7.367
109 HD12 LEU 16 HD12 LEU 16 18.839 5.957 -8.229
110 HD13 LEU 16 HD13 LEU 16 19.173 5.486 -6.564
111 HD21 LEU 16 HD21 LEU 16 21.337 3.824 -9.136
112 HD22 LEU 16 HD22 LEU 16 21.574 3.975 -7.396
113 HD23 LEU 16 HD23 LEU 16 21.069 5.375 -8.341
114 H ALA 17 HN ALA 17 21.945 1.639 -6.069
115 HA ALA 17 HA ALA 17 23.900 2.749 -7.753
116 HB1 ALA 17 HB1 ALA 17 24.654 2.629 -5.578
117 HB2 ALA 17 HB2 ALA 17 25.466 1.206 -6.231
118 HB3 ALA 17 HB3 ALA 17 23.969 1.024 -5.317
119 H ASN 18 HN ASN 18 22.768 -0.584 -7.549
120 HA ASN 18 HA ASN 18 24.938 -1.733 -9.092
121 HB2 ASN 18 HB2 ASN 18 22.159 -2.890 -9.201
122 HB3 ASN 18 HB1 ASN 18 23.713 -3.716 -9.102
123 HD21 ASN 18 HD21 ASN 18 24.191 -1.378 -6.904
124 HD22 ASN 18 HD22 ASN 18 23.557 -2.135 -5.493
125 H TYR 19 HN TYR 19 22.230 0.219 -9.955
126 HA TYR 19 HA TYR 19 22.192 -0.678 -12.753
127 HB2 TYR 19 HB2 TYR 19 20.070 0.028 -12.111
128 HB3 TYR 19 HB1 TYR 19 20.697 1.340 -11.113
129 HD1 TYR 19 HD1 TYR 19 21.074 0.290 -14.698
130 HD2 TYR 19 HD2 TYR 19 20.171 3.445 -11.929
131 HE1 TYR 19 HE1 TYR 19 20.787 1.869 -16.592
132 HE2 TYR 19 HE2 TYR 19 19.884 5.024 -13.822
133 HH TYR 19 HH TYR 19 20.175 5.320 -16.028
134 HN1 NH2 20 H1 NH2 20 23.358 2.164 -10.898
135 HN2 NH2 20 H2 NH2 20 24.311 2.806 -12.181
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 2.870 2.482 7.364
2 H2 GLY 1 HT2 GLY 1 2.769 4.098 6.850
3 H3 GLY 1 HT3 GLY 1 3.112 3.742 8.475
4 HA2 GLY 1 HA1 GLY 1 5.029 2.423 6.957
5 HA3 GLY 1 HA2 GLY 1 4.904 4.066 6.327
6 H GLU 2 HN GLU 2 7.069 2.821 7.943
7 HA GLU 2 HA GLU 2 7.534 5.027 9.746
8 HB2 GLU 2 HB2 GLU 2 5.904 3.743 11.115
9 HB3 GLU 2 HB1 GLU 2 6.958 2.332 11.018
10 HG2 GLU 2 HG2 GLU 2 7.435 3.418 13.111
11 HG3 GLU 2 HG1 GLU 2 8.792 3.754 12.035
12 H CGU 3 HN GLA 3 8.636 1.948 10.853
13 HA CGU 3 HA GLA 3 11.364 2.606 9.895
14 HB2 CGU 3 HB1 GLA 3 10.381 0.398 11.733
15 HB3 CGU 3 HB2 GLA 3 11.057 1.937 12.255
16 HG CGU 3 HG GLA 3 12.481 -0.176 10.610
17 H CGU 4 HN GLA 4 8.744 0.450 9.242
18 HA CGU 4 HA GLA 4 10.383 -1.478 7.747
19 HB2 CGU 4 HB1 GLA 4 8.351 -2.637 7.319
20 HB3 CGU 4 HB2 GLA 4 7.377 -1.191 7.583
21 HG CGU 4 HG GLA 4 9.087 -2.416 9.748
22 H LEU 5 HN LEU 5 8.682 1.457 7.197
23 HA LEU 5 HA LEU 5 8.451 1.178 4.308
24 HB2 LEU 5 HB2 LEU 5 6.865 2.672 5.257
25 HB3 LEU 5 HB1 LEU 5 8.065 3.395 6.323
26 HG LEU 5 HG LEU 5 9.170 4.426 4.368
27 HD11 LEU 5 HD11 LEU 5 7.065 2.846 2.946
28 HD12 LEU 5 HD12 LEU 5 8.731 3.170 2.469
29 HD13 LEU 5 HD13 LEU 5 7.503 4.420 2.282
30 HD21 LEU 5 HD21 LEU 5 7.470 6.122 3.967
31 HD22 LEU 5 HD22 LEU 5 7.366 5.598 5.648
32 HD23 LEU 5 HD23 LEU 5 6.197 5.007 4.467
33 H ALA 6 HN ALA 6 10.833 2.332 6.587
34 HA ALA 6 HA ALA 6 12.418 3.730 4.553
35 HB1 ALA 6 HB1 ALA 6 12.409 3.651 7.386
36 HB2 ALA 6 HB2 ALA 6 13.453 4.620 6.347
37 HB3 ALA 6 HB3 ALA 6 13.977 3.023 6.880
38 H CGU 7 HN GLA 7 12.494 0.574 6.170
39 HA CGU 7 HA GLA 7 15.006 -0.260 5.053
40 HB2 CGU 7 HB1 GLA 7 14.277 -2.542 5.665
41 HB3 CGU 7 HB2 GLA 7 12.653 -1.941 5.969
42 HG CGU 7 HG GLA 7 13.629 -0.368 7.674
43 H LYS 8 HN LYS 8 11.724 -0.203 3.784
44 HA LYS 8 HA LYS 8 12.360 -2.004 1.577
45 HB2 LYS 8 HB2 LYS 8 10.004 -0.200 2.164
46 HB3 LYS 8 HB1 LYS 8 10.142 -1.107 0.662
47 HG2 LYS 8 HG2 LYS 8 10.419 -3.198 2.017
48 HG3 LYS 8 HG1 LYS 8 10.106 -2.246 3.469
49 HD2 LYS 8 HD2 LYS 8 7.909 -1.561 2.500
50 HD3 LYS 8 HD1 LYS 8 8.217 -2.627 1.128
51 HE2 LYS 8 HE2 LYS 8 8.364 -4.559 2.649
52 HE3 LYS 8 HE1 LYS 8 8.075 -3.501 4.030
53 HZ1 LYS 8 HZ1 LYS 8 5.983 -2.835 2.687
54 HZ2 LYS 8 HZ2 LYS 8 5.981 -4.282 3.576
55 HZ3 LYS 8 HZ3 LYS 8 6.224 -4.315 1.895
56 H ALA 9 HN ALA 9 12.345 1.504 2.094
57 HA ALA 9 HA ALA 9 12.955 1.994 -0.754
58 HB1 ALA 9 HB1 ALA 9 13.023 4.372 -0.071
59 HB2 ALA 9 HB2 ALA 9 12.844 3.891 1.617
60 HB3 ALA 9 HB3 ALA 9 11.532 3.601 0.474
61 H ALA 10 HN ALA 10 14.582 1.823 2.360
62 HA ALA 10 HA ALA 10 17.072 2.981 1.473
63 HB1 ALA 10 HB1 ALA 10 16.842 2.921 3.810
64 HB2 ALA 10 HB2 ALA 10 17.952 1.585 3.502
65 HB3 ALA 10 HB3 ALA 10 16.244 1.262 3.804
66 H CGU 11 HN GLA 11 15.594 -0.148 1.135
67 HA CGU 11 HA GLA 11 18.155 -1.433 0.408
68 HB2 CGU 11 HB1 GLA 11 15.324 -2.525 0.199
69 HB3 CGU 11 HB2 GLA 11 16.431 -2.816 1.547
70 HG CGU 11 HG GLA 11 17.484 -3.426 -1.168
71 H PHE 12 HN PHE 12 15.061 -0.656 -1.262
72 HA PHE 12 HA PHE 12 15.832 -1.362 -3.886
73 HB2 PHE 12 HB2 PHE 12 14.448 1.309 -3.326
74 HB3 PHE 12 HB1 PHE 12 14.245 0.231 -4.736
75 HD1 PHE 12 HD1 PHE 12 14.163 -2.418 -3.027
76 HD2 PHE 12 HD2 PHE 12 12.067 1.328 -2.691
77 HE1 PHE 12 HE1 PHE 12 12.287 -3.560 -1.911
78 HE2 PHE 12 HE2 PHE 12 10.196 0.169 -1.572
79 HZ PHE 12 HZ PHE 12 10.303 -2.274 -1.182
80 H ALA 13 HN ALA 13 16.947 1.269 -1.864
81 HA ALA 13 HA ALA 13 18.344 2.727 -3.938
82 HB1 ALA 13 HB1 ALA 13 18.827 4.141 -2.242
83 HB2 ALA 13 HB2 ALA 13 19.723 2.884 -1.390
84 HB3 ALA 13 HB3 ALA 13 17.982 3.041 -1.153
85 H ARG 14 HN ARG 14 19.598 0.421 -1.466
86 HA ARG 14 HA ARG 14 22.221 0.188 -2.315
87 HB2 ARG 14 HB2 ARG 14 20.439 -2.153 -1.573
88 HB3 ARG 14 HB1 ARG 14 22.194 -2.079 -1.416
89 HG2 ARG 14 HG2 ARG 14 20.327 -0.154 -0.006
90 HG3 ARG 14 HG1 ARG 14 20.904 -1.650 0.729
91 HD2 ARG 14 HD2 ARG 14 23.259 -0.871 0.298
92 HD3 ARG 14 HD1 ARG 14 22.596 0.677 -0.224
93 HE ARG 14 HE ARG 14 23.018 -0.037 2.478
94 HH11 ARG 14 HH11 ARG 14 21.065 0.077 3.936
95 HH12 ARG 14 HH12 ARG 14 20.032 1.435 3.644
96 HH21 ARG 14 HH21 ARG 14 21.461 2.197 0.577
97 HH22 ARG 14 HH22 ARG 14 20.260 2.639 1.745
98 H CGU 15 HN GLA 15 19.356 -1.213 -3.887
99 HA CGU 15 HA GLA 15 21.071 -2.588 -5.873
100 HB2 CGU 15 HB1 GLA 15 19.185 -3.737 -6.543
101 HB3 CGU 15 HB2 GLA 15 18.110 -2.369 -6.268
102 HG CGU 15 HG GLA 15 18.147 -2.734 -3.885
103 H LEU 16 HN LEU 16 18.427 -0.157 -6.046
104 HA LEU 16 HA LEU 16 18.693 0.584 -8.716
105 HB2 LEU 16 HB2 LEU 16 17.887 2.035 -6.238
106 HB3 LEU 16 HB1 LEU 16 18.223 3.012 -7.667
107 HG LEU 16 HG LEU 16 15.836 2.371 -7.550
108 HD11 LEU 16 HD11 LEU 16 17.522 2.227 -9.733
109 HD12 LEU 16 HD12 LEU 16 15.760 2.198 -9.805
110 HD13 LEU 16 HD13 LEU 16 16.668 0.686 -9.804
111 HD21 LEU 16 HD21 LEU 16 15.334 -0.090 -8.006
112 HD22 LEU 16 HD22 LEU 16 15.921 0.277 -6.386
113 HD23 LEU 16 HD23 LEU 16 17.014 -0.419 -7.582
114 H ALA 17 HN ALA 17 20.847 1.335 -6.044
115 HA ALA 17 HA ALA 17 22.350 3.362 -7.489
116 HB1 ALA 17 HB1 ALA 17 24.053 2.932 -5.643
117 HB2 ALA 17 HB2 ALA 17 22.926 1.738 -4.999
118 HB3 ALA 17 HB3 ALA 17 22.454 3.435 -5.094
119 H ASN 18 HN ASN 18 22.606 -0.127 -7.027
120 HA ASN 18 HA ASN 18 25.223 -0.307 -8.336
121 HB2 ASN 18 HB2 ASN 18 23.364 -2.667 -8.162
122 HB3 ASN 18 HB1 ASN 18 25.110 -2.593 -7.931
123 HD21 ASN 18 HD21 ASN 18 24.507 -0.033 -6.204
124 HD22 ASN 18 HD22 ASN 18 24.088 -0.709 -4.676
125 H TYR 19 HN TYR 19 22.417 0.658 -9.587
126 HA TYR 19 HA TYR 19 22.402 -1.028 -12.000
127 HB2 TYR 19 HB2 TYR 19 20.230 -0.380 -11.360
128 HB3 TYR 19 HB1 TYR 19 20.737 1.265 -10.976
129 HD1 TYR 19 HD1 TYR 19 20.834 -1.073 -13.909
130 HD2 TYR 19 HD2 TYR 19 20.135 2.915 -12.483
131 HE1 TYR 19 HE1 TYR 19 20.251 -0.355 -16.214
132 HE2 TYR 19 HE2 TYR 19 19.550 3.637 -14.786
133 HH TYR 19 HH TYR 19 20.021 2.894 -17.120
134 HN1 NH2 20 H1 NH2 20 24.243 1.581 -10.932
135 HN2 NH2 20 H2 NH2 20 24.654 2.258 -12.463
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 2.900 1.142 6.375
2 H2 GLY 1 HT2 GLY 1 3.065 2.417 7.487
3 H3 GLY 1 HT3 GLY 1 2.596 0.873 8.022
4 HA2 GLY 1 HA1 GLY 1 4.691 0.288 8.329
5 HA3 GLY 1 HA2 GLY 1 5.021 0.626 6.630
6 H GLU 2 HN GLU 2 5.874 1.499 9.716
7 HA GLU 2 HA GLU 2 6.552 4.298 8.931
8 HB2 GLU 2 HB2 GLU 2 6.650 2.997 11.671
9 HB3 GLU 2 HB1 GLU 2 6.891 4.708 11.318
10 HG2 GLU 2 HG2 GLU 2 4.579 4.804 10.388
11 HG3 GLU 2 HG1 GLU 2 4.346 3.123 10.866
12 H CGU 3 HN GLA 3 8.073 1.775 10.966
13 HA CGU 3 HA GLA 3 10.739 2.703 10.114
14 HB2 CGU 3 HB1 GLA 3 9.906 0.395 11.909
15 HB3 CGU 3 HB2 GLA 3 10.353 2.008 12.455
16 HG CGU 3 HG GLA 3 12.183 0.210 10.837
17 H CGU 4 HN GLA 4 8.465 0.201 9.335
18 HA CGU 4 HA GLA 4 10.430 -1.504 7.981
19 HB2 CGU 4 HB1 GLA 4 8.583 -2.902 7.416
20 HB3 CGU 4 HB2 GLA 4 7.426 -1.582 7.607
21 HG CGU 4 HG GLA 4 9.122 -2.607 9.887
22 H LEU 5 HN LEU 5 8.431 1.195 7.268
23 HA LEU 5 HA LEU 5 8.410 0.867 4.383
24 HB2 LEU 5 HB2 LEU 5 6.639 2.228 5.151
25 HB3 LEU 5 HB1 LEU 5 7.664 3.036 6.333
26 HG LEU 5 HG LEU 5 8.829 4.235 4.548
27 HD11 LEU 5 HD11 LEU 5 7.223 3.881 2.294
28 HD12 LEU 5 HD12 LEU 5 7.463 2.244 2.903
29 HD13 LEU 5 HD13 LEU 5 8.856 3.251 2.509
30 HD21 LEU 5 HD21 LEU 5 7.162 5.811 4.243
31 HD22 LEU 5 HD22 LEU 5 6.430 4.848 5.526
32 HD23 LEU 5 HD23 LEU 5 5.944 4.598 3.850
33 H ALA 6 HN ALA 6 10.428 2.560 6.739
34 HA ALA 6 HA ALA 6 11.997 3.965 4.733
35 HB1 ALA 6 HB1 ALA 6 12.948 5.003 6.504
36 HB2 ALA 6 HB2 ALA 6 13.412 3.472 7.247
37 HB3 ALA 6 HB3 ALA 6 11.793 4.123 7.506
38 H CGU 7 HN GLA 7 12.272 0.834 6.359
39 HA CGU 7 HA GLA 7 14.975 0.338 5.444
40 HB2 CGU 7 HB1 GLA 7 14.531 -2.007 6.091
41 HB3 CGU 7 HB2 GLA 7 12.829 -1.619 6.310
42 HG CGU 7 HG GLA 7 13.455 0.055 8.032
43 H LYS 8 HN LYS 8 11.794 -0.072 3.999
44 HA LYS 8 HA LYS 8 12.729 -1.883 1.920
45 HB2 LYS 8 HB2 LYS 8 10.220 -0.296 2.371
46 HB3 LYS 8 HB1 LYS 8 10.525 -1.020 0.795
47 HG2 LYS 8 HG2 LYS 8 10.909 -3.219 1.968
48 HG3 LYS 8 HG1 LYS 8 10.360 -2.451 3.459
49 HD2 LYS 8 HD2 LYS 8 8.204 -1.902 2.385
50 HD3 LYS 8 HD1 LYS 8 8.749 -2.680 0.898
51 HE2 LYS 8 HE2 LYS 8 7.336 -4.204 2.242
52 HE3 LYS 8 HE1 LYS 8 8.981 -4.822 2.089
53 HZ1 LYS 8 HZ1 LYS 8 8.587 -3.078 4.345
54 HZ2 LYS 8 HZ2 LYS 8 9.348 -4.594 4.262
55 HZ3 LYS 8 HZ3 LYS 8 7.658 -4.497 4.415
56 H ALA 9 HN ALA 9 12.483 1.616 2.294
57 HA ALA 9 HA ALA 9 13.069 2.129 -0.532
58 HB1 ALA 9 HB1 ALA 9 13.479 4.505 0.410
59 HB2 ALA 9 HB2 ALA 9 12.889 3.858 1.939
60 HB3 ALA 9 HB3 ALA 9 11.840 3.862 0.522
61 H ALA 10 HN ALA 10 14.869 1.925 2.501
62 HA ALA 10 HA ALA 10 17.343 2.994 1.524
63 HB1 ALA 10 HB1 ALA 10 16.400 1.592 3.899
64 HB2 ALA 10 HB2 ALA 10 17.718 2.753 3.740
65 HB3 ALA 10 HB3 ALA 10 18.008 1.043 3.420
66 H CGU 11 HN GLA 11 15.821 -0.157 1.269
67 HA CGU 11 HA GLA 11 18.233 -1.500 0.323
68 HB2 CGU 11 HB1 GLA 11 15.296 -2.259 0.201
69 HB3 CGU 11 HB2 GLA 11 16.534 -2.944 1.261
70 HG CGU 11 HG GLA 11 17.608 -3.318 -1.266
71 H PHE 12 HN PHE 12 15.309 -0.167 -1.266
72 HA PHE 12 HA PHE 12 15.997 -0.791 -3.948
73 HB2 PHE 12 HB2 PHE 12 14.925 1.964 -3.163
74 HB3 PHE 12 HB1 PHE 12 14.621 1.047 -4.665
75 HD1 PHE 12 HD1 PHE 12 12.359 2.128 -3.013
76 HD2 PHE 12 HD2 PHE 12 14.411 -1.649 -2.732
77 HE1 PHE 12 HE1 PHE 12 10.349 1.099 -2.016
78 HE2 PHE 12 HE2 PHE 12 12.395 -2.658 -1.736
79 HZ PHE 12 HZ PHE 12 10.363 -1.293 -1.377
80 H ALA 13 HN ALA 13 17.418 1.478 -1.717
81 HA ALA 13 HA ALA 13 18.927 3.008 -3.655
82 HB1 ALA 13 HB1 ALA 13 18.532 3.513 -1.115
83 HB2 ALA 13 HB2 ALA 13 20.075 3.961 -1.841
84 HB3 ALA 13 HB3 ALA 13 19.952 2.496 -0.867
85 H ARG 14 HN ARG 14 20.005 0.332 -1.482
86 HA ARG 14 HA ARG 14 22.579 -0.025 -2.440
87 HB2 ARG 14 HB2 ARG 14 20.596 -2.250 -1.860
88 HB3 ARG 14 HB1 ARG 14 22.353 -2.398 -1.845
89 HG2 ARG 14 HG2 ARG 14 20.695 -0.633 -0.019
90 HG3 ARG 14 HG1 ARG 14 21.521 -2.121 0.443
91 HD2 ARG 14 HD2 ARG 14 23.111 -0.564 1.090
92 HD3 ARG 14 HD1 ARG 14 23.630 -0.866 -0.569
93 HE ARG 14 HE ARG 14 21.745 1.254 -0.633
94 HH11 ARG 14 HH11 ARG 14 24.084 1.128 1.698
95 HH12 ARG 14 HH12 ARG 14 25.010 2.476 1.127
96 HH21 ARG 14 HH21 ARG 14 23.283 2.733 -1.868
97 HH22 ARG 14 HH22 ARG 14 24.556 3.385 -0.891
98 H CGU 15 HN GLA 15 19.574 -1.234 -3.940
99 HA CGU 15 HA GLA 15 21.034 -2.449 -6.175
100 HB2 CGU 15 HB1 GLA 15 18.975 -3.178 -6.976
101 HB3 CGU 15 HB2 GLA 15 18.107 -1.770 -6.368
102 HG CGU 15 HG GLA 15 18.216 -2.599 -4.105
103 H LEU 16 HN LEU 16 19.492 0.632 -5.509
104 HA LEU 16 HA LEU 16 19.247 1.635 -8.141
105 HB2 LEU 16 HB2 LEU 16 18.566 2.681 -5.842
106 HB3 LEU 16 HB1 LEU 16 20.181 3.388 -5.883
107 HG LEU 16 HG LEU 16 18.250 3.620 -8.199
108 HD11 LEU 16 HD11 LEU 16 18.474 5.204 -5.669
109 HD12 LEU 16 HD12 LEU 16 17.042 4.808 -6.619
110 HD13 LEU 16 HD13 LEU 16 18.145 6.069 -7.170
111 HD21 LEU 16 HD21 LEU 16 19.856 5.797 -8.277
112 HD22 LEU 16 HD22 LEU 16 20.269 4.280 -9.074
113 HD23 LEU 16 HD23 LEU 16 20.948 4.658 -7.491
114 H ALA 17 HN ALA 17 22.082 1.425 -6.026
115 HA ALA 17 HA ALA 17 23.779 2.972 -7.819
116 HB1 ALA 17 HB1 ALA 17 24.602 1.053 -5.622
117 HB2 ALA 17 HB2 ALA 17 24.193 2.747 -5.355
118 HB3 ALA 17 HB3 ALA 17 25.594 2.322 -6.340
119 H ASN 18 HN ASN 18 22.937 -0.415 -7.447
120 HA ASN 18 HA ASN 18 25.141 -1.410 -9.083
121 HB2 ASN 18 HB2 ASN 18 22.562 -2.928 -8.871
122 HB3 ASN 18 HB1 ASN 18 24.222 -3.515 -8.789
123 HD21 ASN 18 HD21 ASN 18 24.551 -0.978 -6.848
124 HD22 ASN 18 HD22 ASN 18 24.058 -1.644 -5.339
125 H TYR 19 HN TYR 19 22.081 0.061 -9.762
126 HA TYR 19 HA TYR 19 21.935 -1.016 -12.490
127 HB2 TYR 19 HB2 TYR 19 19.800 -0.618 -11.625
128 HB3 TYR 19 HB1 TYR 19 20.294 0.878 -10.834
129 HD1 TYR 19 HD1 TYR 19 21.009 2.844 -12.346
130 HD2 TYR 19 HD2 TYR 19 18.802 -0.561 -13.746
131 HE1 TYR 19 HE1 TYR 19 20.265 4.143 -14.327
132 HE2 TYR 19 HE2 TYR 19 18.056 0.734 -15.728
133 HH TYR 19 HH TYR 19 19.205 2.943 -17.014
134 HN1 NH2 20 H1 NH2 20 22.929 2.023 -10.894
135 HN2 NH2 20 H2 NH2 20 23.570 2.750 -12.319
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 3.058 1.974 13.445
2 H2 GLY 1 HT2 GLY 1 2.721 1.507 11.847
3 H3 GLY 1 HT3 GLY 1 3.294 3.073 12.174
4 HA2 GLY 1 HA1 GLY 1 5.332 1.889 13.157
5 HA3 GLY 1 HA2 GLY 1 4.755 0.513 12.217
6 H GLU 2 HN GLU 2 6.817 3.071 12.066
7 HA GLU 2 HA GLU 2 6.580 3.214 9.086
8 HB2 GLU 2 HB2 GLU 2 7.495 5.400 10.982
9 HB3 GLU 2 HB1 GLU 2 7.463 5.516 9.223
10 HG2 GLU 2 HG2 GLU 2 5.068 5.101 11.036
11 HG3 GLU 2 HG1 GLU 2 5.457 6.569 10.138
12 H CGU 3 HN GLA 3 8.137 1.315 10.632
13 HA CGU 3 HA GLA 3 10.919 2.290 10.155
14 HB2 CGU 3 HB1 GLA 3 9.943 -0.105 11.746
15 HB3 CGU 3 HB2 GLA 3 10.435 1.441 12.430
16 HG CGU 3 HG GLA 3 12.203 -0.368 10.754
17 H CGU 4 HN GLA 4 8.528 -0.021 9.145
18 HA CGU 4 HA GLA 4 10.460 -1.684 7.679
19 HB2 CGU 4 HB1 GLA 4 8.575 -2.992 7.003
20 HB3 CGU 4 HB2 GLA 4 7.448 -1.677 7.339
21 HG CGU 4 HG GLA 4 9.181 -2.865 9.499
22 H LEU 5 HN LEU 5 8.471 1.085 7.136
23 HA LEU 5 HA LEU 5 8.518 0.952 4.230
24 HB2 LEU 5 HB2 LEU 5 7.907 3.215 6.158
25 HB3 LEU 5 HB1 LEU 5 7.786 3.357 4.410
26 HG LEU 5 HG LEU 5 6.156 1.519 4.349
27 HD11 LEU 5 HD11 LEU 5 6.812 1.441 7.283
28 HD12 LEU 5 HD12 LEU 5 6.676 0.105 6.139
29 HD13 LEU 5 HD13 LEU 5 5.223 0.915 6.726
30 HD21 LEU 5 HD21 LEU 5 4.743 3.279 4.539
31 HD22 LEU 5 HD22 LEU 5 5.771 4.060 5.741
32 HD23 LEU 5 HD23 LEU 5 4.595 2.845 6.243
33 H ALA 6 HN ALA 6 10.684 2.031 6.698
34 HA ALA 6 HA ALA 6 12.233 3.740 4.858
35 HB1 ALA 6 HB1 ALA 6 11.942 3.941 7.508
36 HB2 ALA 6 HB2 ALA 6 13.428 4.453 6.706
37 HB3 ALA 6 HB3 ALA 6 13.351 2.878 7.496
38 H CGU 7 HN GLA 7 12.480 0.523 6.329
39 HA CGU 7 HA GLA 7 15.149 -0.006 5.387
40 HB2 CGU 7 HB1 GLA 7 14.582 -2.386 5.827
41 HB3 CGU 7 HB2 GLA 7 12.903 -1.930 6.069
42 HG CGU 7 HG GLA 7 13.588 -0.438 7.926
43 H LYS 8 HN LYS 8 11.982 -0.194 3.887
44 HA LYS 8 HA LYS 8 12.962 -1.772 1.617
45 HB2 LYS 8 HB2 LYS 8 10.357 -0.546 2.419
46 HB3 LYS 8 HB1 LYS 8 10.617 -0.890 0.709
47 HG2 LYS 8 HG2 LYS 8 11.102 -3.222 1.204
48 HG3 LYS 8 HG1 LYS 8 11.003 -2.908 2.936
49 HD2 LYS 8 HD2 LYS 8 8.641 -2.312 2.730
50 HD3 LYS 8 HD1 LYS 8 8.720 -2.525 0.980
51 HE2 LYS 8 HE2 LYS 8 9.205 -4.689 3.047
52 HE3 LYS 8 HE1 LYS 8 7.762 -4.524 2.047
53 HZ1 LYS 8 HZ1 LYS 8 8.835 -5.804 0.598
54 HZ2 LYS 8 HZ2 LYS 8 10.331 -5.607 1.380
55 HZ3 LYS 8 HZ3 LYS 8 9.799 -4.451 0.253
56 H ALA 9 HN ALA 9 12.341 1.652 2.325
57 HA ALA 9 HA ALA 9 12.717 2.518 -0.416
58 HB1 ALA 9 HB1 ALA 9 13.317 4.722 1.091
59 HB2 ALA 9 HB2 ALA 9 12.345 3.788 2.229
60 HB3 ALA 9 HB3 ALA 9 11.676 4.238 0.660
61 H ALA 10 HN ALA 10 14.796 2.707 2.497
62 HA ALA 10 HA ALA 10 17.103 3.693 1.166
63 HB1 ALA 10 HB1 ALA 10 16.461 2.977 3.770
64 HB2 ALA 10 HB2 ALA 10 18.040 3.539 3.221
65 HB3 ALA 10 HB3 ALA 10 17.706 1.810 3.326
66 H CGU 11 HN GLA 11 15.783 0.442 1.416
67 HA CGU 11 HA GLA 11 18.179 -0.899 0.484
68 HB2 CGU 11 HB1 GLA 11 15.272 -1.688 0.695
69 HB3 CGU 11 HB2 GLA 11 16.656 -2.373 1.552
70 HG CGU 11 HG GLA 11 17.477 -3.068 -0.829
71 H PHE 12 HN PHE 12 15.118 -0.034 -1.181
72 HA PHE 12 HA PHE 12 15.830 -0.902 -3.779
73 HB2 PHE 12 HB2 PHE 12 13.633 0.217 -3.518
74 HB3 PHE 12 HB1 PHE 12 14.442 1.780 -3.153
75 HD1 PHE 12 HD1 PHE 12 14.627 -0.931 -5.814
76 HD2 PHE 12 HD2 PHE 12 14.608 3.290 -4.961
77 HE1 PHE 12 HE1 PHE 12 14.769 -0.434 -8.224
78 HE2 PHE 12 HE2 PHE 12 14.750 3.769 -7.376
79 HZ PHE 12 HZ PHE 12 14.831 1.912 -9.010
80 H ALA 13 HN ALA 13 17.105 1.795 -1.943
81 HA ALA 13 HA ALA 13 18.571 3.062 -4.070
82 HB1 ALA 13 HB1 ALA 13 19.639 4.317 -2.434
83 HB2 ALA 13 HB2 ALA 13 19.754 2.957 -1.317
84 HB3 ALA 13 HB3 ALA 13 18.215 3.791 -1.534
85 H ARG 14 HN ARG 14 19.709 0.672 -1.624
86 HA ARG 14 HA ARG 14 22.293 0.251 -2.525
87 HB2 ARG 14 HB2 ARG 14 20.400 -2.008 -1.812
88 HB3 ARG 14 HB1 ARG 14 22.151 -1.973 -1.599
89 HG2 ARG 14 HG2 ARG 14 20.196 -0.122 -0.202
90 HG3 ARG 14 HG1 ARG 14 20.940 -1.543 0.532
91 HD2 ARG 14 HD2 ARG 14 22.337 0.958 -0.455
92 HD3 ARG 14 HD1 ARG 14 22.248 0.363 1.202
93 HE ARG 14 HE ARG 14 23.460 -1.670 -0.354
94 HH11 ARG 14 HH11 ARG 14 25.367 -1.705 1.288
95 HH12 ARG 14 HH12 ARG 14 26.490 -0.413 1.023
96 HH21 ARG 14 HH21 ARG 14 24.329 1.415 -0.973
97 HH22 ARG 14 HH22 ARG 14 25.904 1.350 -0.255
98 H CGU 15 HN GLA 15 19.322 -1.210 -3.874
99 HA CGU 15 HA GLA 15 20.758 -2.657 -5.953
100 HB2 CGU 15 HB1 GLA 15 18.685 -3.357 -6.714
101 HB3 CGU 15 HB2 GLA 15 17.909 -1.813 -6.374
102 HG CGU 15 HG GLA 15 17.726 -2.300 -4.057
103 H LEU 16 HN LEU 16 18.886 0.396 -5.940
104 HA LEU 16 HA LEU 16 19.211 1.090 -8.643
105 HB2 LEU 16 HB2 LEU 16 17.879 2.349 -6.879
106 HB3 LEU 16 HB1 LEU 16 19.404 3.067 -6.359
107 HG LEU 16 HG LEU 16 18.825 3.162 -9.275
108 HD11 LEU 16 HD11 LEU 16 17.557 5.409 -8.625
109 HD12 LEU 16 HD12 LEU 16 17.155 4.489 -7.175
110 HD13 LEU 16 HD13 LEU 16 16.685 3.883 -8.764
111 HD21 LEU 16 HD21 LEU 16 19.617 5.512 -7.614
112 HD22 LEU 16 HD22 LEU 16 20.219 4.996 -9.190
113 HD23 LEU 16 HD23 LEU 16 20.771 4.184 -7.725
114 H ALA 17 HN ALA 17 21.563 1.032 -6.075
115 HA ALA 17 HA ALA 17 23.494 2.727 -7.462
116 HB1 ALA 17 HB1 ALA 17 23.770 0.836 -5.108
117 HB2 ALA 17 HB2 ALA 17 23.606 2.590 -5.040
118 HB3 ALA 17 HB3 ALA 17 25.071 1.866 -5.704
119 H ASN 18 HN ASN 18 22.822 -0.727 -7.197
120 HA ASN 18 HA ASN 18 25.273 -1.621 -8.460
121 HB2 ASN 18 HB2 ASN 18 22.708 -3.154 -8.803
122 HB3 ASN 18 HB1 ASN 18 24.332 -3.747 -8.460
123 HD21 ASN 18 HD21 ASN 18 24.374 -1.359 -6.361
124 HD22 ASN 18 HD22 ASN 18 23.596 -2.072 -5.000
125 H TYR 19 HN TYR 19 22.613 0.096 -9.680
126 HA TYR 19 HA TYR 19 23.064 -0.914 -12.440
127 HB2 TYR 19 HB2 TYR 19 20.754 -0.855 -12.053
128 HB3 TYR 19 HB1 TYR 19 20.856 0.619 -11.092
129 HD1 TYR 19 HD1 TYR 19 21.603 2.776 -12.292
130 HD2 TYR 19 HD2 TYR 19 20.260 -0.750 -14.338
131 HE1 TYR 19 HE1 TYR 19 21.139 4.132 -14.321
132 HE2 TYR 19 HE2 TYR 19 19.796 0.600 -16.369
133 HH TYR 19 HH TYR 19 19.258 3.474 -16.581
134 HN1 NH2 20 H1 NH2 20 23.987 1.647 -10.359
135 HN2 NH2 20 H2 NH2 20 24.518 2.749 -11.573
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 6.722 6.573 10.150
2 H2 GLY 1 HT2 GLY 1 5.854 7.987 10.515
3 H3 GLY 1 HT3 GLY 1 5.817 7.346 8.942
4 HA2 GLY 1 HA1 GLY 1 4.110 6.785 11.098
5 HA3 GLY 1 HA2 GLY 1 4.038 6.160 9.450
6 H GLU 2 HN GLU 2 6.277 4.643 9.218
7 HA GLU 2 HA GLU 2 6.294 2.799 11.558
8 HB2 GLU 2 HB2 GLU 2 5.948 1.890 8.686
9 HB3 GLU 2 HB1 GLU 2 5.987 0.861 10.118
10 HG2 GLU 2 HG2 GLU 2 3.952 1.948 10.974
11 HG3 GLU 2 HG1 GLU 2 3.917 3.009 9.563
12 H CGU 3 HN GLA 3 8.037 0.960 10.928
13 HA CGU 3 HA GLA 3 10.444 2.465 9.987
14 HB2 CGU 3 HB1 GLA 3 10.265 0.002 11.760
15 HB3 CGU 3 HB2 GLA 3 10.540 1.646 12.325
16 HG CGU 3 HG GLA 3 12.338 0.149 10.393
17 H CGU 4 HN GLA 4 8.467 -0.361 9.468
18 HA CGU 4 HA GLA 4 10.272 -1.906 7.911
19 HB2 CGU 4 HB1 GLA 4 7.719 -2.303 6.810
20 HB3 CGU 4 HB2 GLA 4 7.420 -1.876 8.498
21 HG CGU 4 HG GLA 4 9.469 -3.895 7.658
22 H LEU 5 HN LEU 5 7.972 0.605 6.998
23 HA LEU 5 HA LEU 5 8.383 0.485 4.185
24 HB2 LEU 5 HB2 LEU 5 6.543 1.835 4.645
25 HB3 LEU 5 HB1 LEU 5 7.261 2.449 6.131
26 HG LEU 5 HG LEU 5 8.719 3.941 4.865
27 HD11 LEU 5 HD11 LEU 5 8.292 2.127 2.773
28 HD12 LEU 5 HD12 LEU 5 9.179 3.646 2.673
29 HD13 LEU 5 HD13 LEU 5 7.467 3.597 2.258
30 HD21 LEU 5 HD21 LEU 5 5.809 4.014 4.019
31 HD22 LEU 5 HD22 LEU 5 6.936 5.351 3.782
32 HD23 LEU 5 HD23 LEU 5 6.529 4.819 5.414
33 H ALA 6 HN ALA 6 10.112 2.269 6.724
34 HA ALA 6 HA ALA 6 11.770 3.771 4.897
35 HB1 ALA 6 HB1 ALA 6 12.442 4.763 6.804
36 HB2 ALA 6 HB2 ALA 6 13.198 3.265 7.342
37 HB3 ALA 6 HB3 ALA 6 11.507 3.586 7.727
38 H CGU 7 HN GLA 7 11.974 0.523 6.197
39 HA CGU 7 HA GLA 7 14.764 0.145 5.459
40 HB2 CGU 7 HB1 GLA 7 14.303 -2.255 5.896
41 HB3 CGU 7 HB2 GLA 7 12.590 -1.881 6.064
42 HG CGU 7 HG GLA 7 13.142 -0.327 7.929
43 H LYS 8 HN LYS 8 11.697 -0.164 3.800
44 HA LYS 8 HA LYS 8 12.800 -1.807 1.650
45 HB2 LYS 8 HB2 LYS 8 10.197 -0.294 1.938
46 HB3 LYS 8 HB1 LYS 8 10.607 -1.262 0.523
47 HG2 LYS 8 HG2 LYS 8 10.861 -3.256 1.924
48 HG3 LYS 8 HG1 LYS 8 10.520 -2.304 3.370
49 HD2 LYS 8 HD2 LYS 8 8.279 -1.766 2.492
50 HD3 LYS 8 HD1 LYS 8 8.616 -2.720 1.046
51 HE2 LYS 8 HE2 LYS 8 8.518 -3.761 3.893
52 HE3 LYS 8 HE1 LYS 8 7.328 -4.068 2.629
53 HZ1 LYS 8 HZ1 LYS 8 10.094 -5.059 2.847
54 HZ2 LYS 8 HZ2 LYS 8 9.343 -4.954 1.327
55 HZ3 LYS 8 HZ3 LYS 8 8.670 -5.928 2.546
56 H ALA 9 HN ALA 9 12.458 1.624 2.293
57 HA ALA 9 HA ALA 9 12.928 2.401 -0.487
58 HB1 ALA 9 HB1 ALA 9 11.701 3.983 0.805
59 HB2 ALA 9 HB2 ALA 9 13.305 4.692 0.613
60 HB3 ALA 9 HB3 ALA 9 12.861 3.912 2.131
61 H ALA 10 HN ALA 10 14.848 2.367 2.521
62 HA ALA 10 HA ALA 10 17.259 3.387 1.421
63 HB1 ALA 10 HB1 ALA 10 16.668 1.536 3.730
64 HB2 ALA 10 HB2 ALA 10 17.178 3.223 3.779
65 HB3 ALA 10 HB3 ALA 10 18.325 1.970 3.308
66 H CGU 11 HN GLA 11 16.032 0.047 1.600
67 HA CGU 11 HA GLA 11 18.383 -1.185 0.504
68 HB2 CGU 11 HB1 GLA 11 15.481 -1.996 0.693
69 HB3 CGU 11 HB2 GLA 11 16.882 -2.747 1.466
70 HG CGU 11 HG GLA 11 17.647 -3.272 -0.970
71 H PHE 12 HN PHE 12 15.333 -0.179 -1.081
72 HA PHE 12 HA PHE 12 15.997 -0.879 -3.741
73 HB2 PHE 12 HB2 PHE 12 13.821 0.245 -3.374
74 HB3 PHE 12 HB1 PHE 12 14.653 1.767 -2.905
75 HD1 PHE 12 HD1 PHE 12 16.283 2.811 -4.703
76 HD2 PHE 12 HD2 PHE 12 13.293 -0.138 -5.659
77 HE1 PHE 12 HE1 PHE 12 16.382 3.464 -7.079
78 HE2 PHE 12 HE2 PHE 12 13.404 0.529 -8.029
79 HZ PHE 12 HZ PHE 12 14.945 2.329 -8.744
80 H ALA 13 HN ALA 13 17.351 1.680 -1.756
81 HA ALA 13 HA ALA 13 18.771 3.055 -3.852
82 HB1 ALA 13 HB1 ALA 13 19.386 4.390 -2.143
83 HB2 ALA 13 HB2 ALA 13 20.321 3.081 -1.422
84 HB3 ALA 13 HB3 ALA 13 18.615 3.270 -1.020
85 H ARG 14 HN ARG 14 20.005 0.602 -1.514
86 HA ARG 14 HA ARG 14 22.556 0.244 -2.541
87 HB2 ARG 14 HB2 ARG 14 20.585 -1.754 -1.427
88 HB3 ARG 14 HB1 ARG 14 22.197 -2.254 -1.938
89 HG2 ARG 14 HG2 ARG 14 22.198 -1.730 0.461
90 HG3 ARG 14 HG1 ARG 14 23.190 -0.566 -0.418
91 HD2 ARG 14 HD2 ARG 14 21.421 1.082 -0.365
92 HD3 ARG 14 HD1 ARG 14 20.290 -0.088 0.312
93 HE ARG 14 HE ARG 14 22.483 0.061 2.090
94 HH11 ARG 14 HH11 ARG 14 21.661 2.903 0.826
95 HH12 ARG 14 HH12 ARG 14 20.822 3.550 2.197
96 HH21 ARG 14 HH21 ARG 14 20.682 0.516 3.872
97 HH22 ARG 14 HH22 ARG 14 20.270 2.197 3.923
98 H CGU 15 HN GLA 15 19.530 -1.081 -3.874
99 HA CGU 15 HA GLA 15 20.943 -2.549 -5.981
100 HB2 CGU 15 HB1 GLA 15 18.871 -3.330 -6.653
101 HB3 CGU 15 HB2 GLA 15 18.051 -1.817 -6.283
102 HG CGU 15 HG GLA 15 18.032 -2.298 -3.941
103 H LEU 16 HN LEU 16 19.710 0.677 -5.572
104 HA LEU 16 HA LEU 16 19.421 1.386 -8.332
105 HB2 LEU 16 HB2 LEU 16 18.592 2.753 -6.399
106 HB3 LEU 16 HB1 LEU 16 20.263 3.187 -6.042
107 HG LEU 16 HG LEU 16 18.967 3.673 -8.735
108 HD11 LEU 16 HD11 LEU 16 19.427 6.108 -7.353
109 HD12 LEU 16 HD12 LEU 16 18.563 5.051 -6.236
110 HD13 LEU 16 HD13 LEU 16 17.874 5.414 -7.819
111 HD21 LEU 16 HD21 LEU 16 20.964 5.487 -8.459
112 HD22 LEU 16 HD22 LEU 16 21.206 3.895 -9.177
113 HD23 LEU 16 HD23 LEU 16 21.617 4.170 -7.484
114 H ALA 17 HN ALA 17 22.159 1.941 -6.090
115 HA ALA 17 HA ALA 17 23.959 3.013 -7.990
116 HB1 ALA 17 HB1 ALA 17 24.095 2.498 -5.332
117 HB2 ALA 17 HB2 ALA 17 25.512 2.863 -6.316
118 HB3 ALA 17 HB3 ALA 17 25.102 1.188 -5.947
119 H ASN 18 HN ASN 18 22.934 -0.275 -7.438
120 HA ASN 18 HA ASN 18 25.110 -1.390 -9.101
121 HB2 ASN 18 HB2 ASN 18 22.744 -3.053 -8.358
122 HB3 ASN 18 HB1 ASN 18 24.460 -3.457 -8.336
123 HD21 ASN 18 HD21 ASN 18 24.780 -0.681 -6.845
124 HD22 ASN 18 HD22 ASN 18 24.417 -1.102 -5.215
125 H TYR 19 HN TYR 19 22.771 0.466 -10.049
126 HA TYR 19 HA TYR 19 21.393 -1.227 -11.997
127 HB2 TYR 19 HB2 TYR 19 20.064 0.572 -11.304
128 HB3 TYR 19 HB1 TYR 19 21.419 1.702 -11.320
129 HD1 TYR 19 HD1 TYR 19 19.586 -0.566 -13.683
130 HD2 TYR 19 HD2 TYR 19 21.548 3.205 -13.079
131 HE1 TYR 19 HE1 TYR 19 18.989 0.115 -15.996
132 HE2 TYR 19 HE2 TYR 19 20.953 3.887 -15.390
133 HH TYR 19 HH TYR 19 20.397 2.393 -17.661
134 HN1 NH2 20 H1 NH2 20 23.976 1.272 -12.080
135 HN2 NH2 20 H2 NH2 20 24.523 0.870 -13.662
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 4.065 3.617 12.355
2 H2 GLY 1 HT2 GLY 1 4.285 2.297 13.402
3 H3 GLY 1 HT3 GLY 1 2.845 2.450 12.513
4 HA2 GLY 1 HA1 GLY 1 5.197 1.124 11.785
5 HA3 GLY 1 HA2 GLY 1 3.703 1.282 10.862
6 H GLU 2 HN GLU 2 6.801 2.868 11.554
7 HA GLU 2 HA GLU 2 6.681 4.059 8.830
8 HB2 GLU 2 HB2 GLU 2 5.986 5.714 10.689
9 HB3 GLU 2 HB1 GLU 2 7.675 5.658 11.192
10 HG2 GLU 2 HG2 GLU 2 7.496 7.514 9.695
11 HG3 GLU 2 HG1 GLU 2 8.275 6.226 8.777
12 H CGU 3 HN GLA 3 8.240 2.007 10.741
13 HA CGU 3 HA GLA 3 10.978 2.932 9.983
14 HB2 CGU 3 HB1 GLA 3 10.122 0.791 11.957
15 HB3 CGU 3 HB2 GLA 3 10.633 2.423 12.378
16 HG CGU 3 HG GLA 3 12.324 0.378 10.906
17 H CGU 4 HN GLA 4 8.580 0.489 9.427
18 HA CGU 4 HA GLA 4 10.466 -1.371 8.149
19 HB2 CGU 4 HB1 GLA 4 8.595 -2.784 7.781
20 HB3 CGU 4 HB2 GLA 4 7.452 -1.444 7.876
21 HG CGU 4 HG GLA 4 9.200 -2.271 10.196
22 H LEU 5 HN LEU 5 8.394 1.263 7.267
23 HA LEU 5 HA LEU 5 8.368 0.717 4.417
24 HB2 LEU 5 HB2 LEU 5 7.857 3.269 5.984
25 HB3 LEU 5 HB1 LEU 5 7.597 3.091 4.255
26 HG LEU 5 HG LEU 5 6.028 1.203 4.721
27 HD11 LEU 5 HD11 LEU 5 6.822 1.925 7.522
28 HD12 LEU 5 HD12 LEU 5 6.592 0.332 6.804
29 HD13 LEU 5 HD13 LEU 5 5.193 1.319 7.224
30 HD21 LEU 5 HD21 LEU 5 5.636 4.009 5.159
31 HD22 LEU 5 HD22 LEU 5 4.635 3.125 6.310
32 HD23 LEU 5 HD23 LEU 5 4.467 2.821 4.581
33 H ALA 6 HN ALA 6 10.582 2.162 6.651
34 HA ALA 6 HA ALA 6 12.097 3.593 4.572
35 HB1 ALA 6 HB1 ALA 6 13.611 4.242 6.327
36 HB2 ALA 6 HB2 ALA 6 13.012 2.975 7.397
37 HB3 ALA 6 HB3 ALA 6 11.985 4.352 7.000
38 H CGU 7 HN GLA 7 12.365 0.565 6.403
39 HA CGU 7 HA GLA 7 14.973 -0.149 5.474
40 HB2 CGU 7 HB1 GLA 7 14.354 -2.454 6.101
41 HB3 CGU 7 HB2 GLA 7 12.666 -1.975 6.237
42 HG CGU 7 HG GLA 7 13.355 -0.298 7.977
43 H LYS 8 HN LYS 8 11.790 -0.350 3.988
44 HA LYS 8 HA LYS 8 12.706 -2.114 1.846
45 HB2 LYS 8 HB2 LYS 8 10.174 -0.658 2.492
46 HB3 LYS 8 HB1 LYS 8 10.438 -1.176 0.829
47 HG2 LYS 8 HG2 LYS 8 10.972 -3.480 1.743
48 HG3 LYS 8 HG1 LYS 8 10.399 -2.906 3.310
49 HD2 LYS 8 HD2 LYS 8 8.221 -2.309 2.252
50 HD3 LYS 8 HD1 LYS 8 8.797 -3.007 0.738
51 HE2 LYS 8 HE2 LYS 8 9.190 -5.168 1.989
52 HE3 LYS 8 HE1 LYS 8 8.367 -4.443 3.370
53 HZ1 LYS 8 HZ1 LYS 8 7.221 -4.828 0.658
54 HZ2 LYS 8 HZ2 LYS 8 6.427 -4.079 1.960
55 HZ3 LYS 8 HZ3 LYS 8 6.833 -5.728 2.041
56 H ALA 9 HN ALA 9 12.312 1.378 2.308
57 HA ALA 9 HA ALA 9 12.872 1.991 -0.490
58 HB1 ALA 9 HB1 ALA 9 12.563 3.575 2.043
59 HB2 ALA 9 HB2 ALA 9 11.687 3.727 0.519
60 HB3 ALA 9 HB3 ALA 9 13.337 4.334 0.651
61 H ALA 10 HN ALA 10 14.704 1.661 2.496
62 HA ALA 10 HA ALA 10 17.158 2.815 1.541
63 HB1 ALA 10 HB1 ALA 10 16.517 0.819 3.721
64 HB2 ALA 10 HB2 ALA 10 16.957 2.517 3.898
65 HB3 ALA 10 HB3 ALA 10 18.168 1.341 3.388
66 H CGU 11 HN GLA 11 15.694 -0.375 1.241
67 HA CGU 11 HA GLA 11 18.126 -1.620 0.207
68 HB2 CGU 11 HB1 GLA 11 15.216 -2.479 0.192
69 HB3 CGU 11 HB2 GLA 11 16.526 -3.142 1.173
70 HG CGU 11 HG GLA 11 17.506 -3.462 -1.385
71 H PHE 12 HN PHE 12 15.137 -0.301 -1.256
72 HA PHE 12 HA PHE 12 15.741 -0.904 -3.971
73 HB2 PHE 12 HB2 PHE 12 14.624 1.819 -3.128
74 HB3 PHE 12 HB1 PHE 12 14.307 0.912 -4.634
75 HD1 PHE 12 HD1 PHE 12 12.062 1.923 -2.914
76 HD2 PHE 12 HD2 PHE 12 14.199 -1.807 -2.735
77 HE1 PHE 12 HE1 PHE 12 10.098 0.837 -1.888
78 HE2 PHE 12 HE2 PHE 12 12.232 -2.878 -1.708
79 HZ PHE 12 HZ PHE 12 10.178 -1.563 -1.288
80 H ALA 13 HN ALA 13 17.178 1.408 -1.779
81 HA ALA 13 HA ALA 13 18.567 2.964 -3.789
82 HB1 ALA 13 HB1 ALA 13 19.200 2.521 -0.854
83 HB2 ALA 13 HB2 ALA 13 18.338 3.890 -1.557
84 HB3 ALA 13 HB3 ALA 13 20.054 3.667 -1.887
85 H ARG 14 HN ARG 14 19.837 0.398 -1.583
86 HA ARG 14 HA ARG 14 22.401 0.162 -2.612
87 HB2 ARG 14 HB2 ARG 14 20.474 -1.915 -1.593
88 HB3 ARG 14 HB1 ARG 14 22.061 -2.397 -2.195
89 HG2 ARG 14 HG2 ARG 14 22.191 -2.031 0.214
90 HG3 ARG 14 HG1 ARG 14 23.112 -0.779 -0.618
91 HD2 ARG 14 HD2 ARG 14 21.290 0.807 -0.368
92 HD3 ARG 14 HD1 ARG 14 20.247 -0.443 0.312
93 HE ARG 14 HE ARG 14 22.078 1.109 1.822
94 HH11 ARG 14 HH11 ARG 14 23.885 -0.956 2.250
95 HH12 ARG 14 HH12 ARG 14 23.151 -2.020 3.402
96 HH21 ARG 14 HH21 ARG 14 19.948 -0.790 2.894
97 HH22 ARG 14 HH22 ARG 14 20.922 -1.926 3.767
98 H CGU 15 HN GLA 15 19.410 -1.071 -4.087
99 HA CGU 15 HA GLA 15 20.874 -2.420 -6.243
100 HB2 CGU 15 HB1 GLA 15 18.820 -3.159 -7.013
101 HB3 CGU 15 HB2 GLA 15 17.980 -1.683 -6.543
102 HG CGU 15 HG GLA 15 17.933 -2.337 -4.245
103 H LEU 16 HN LEU 16 19.285 0.703 -5.794
104 HA LEU 16 HA LEU 16 19.302 1.525 -8.529
105 HB2 LEU 16 HB2 LEU 16 18.124 2.657 -6.569
106 HB3 LEU 16 HB1 LEU 16 19.686 3.358 -6.151
107 HG LEU 16 HG LEU 16 18.622 3.608 -8.955
108 HD11 LEU 16 HD11 LEU 16 17.909 5.335 -6.568
109 HD12 LEU 16 HD12 LEU 16 16.795 4.412 -7.576
110 HD13 LEU 16 HD13 LEU 16 17.639 5.808 -8.246
111 HD21 LEU 16 HD21 LEU 16 20.480 4.866 -9.185
112 HD22 LEU 16 HD22 LEU 16 20.921 4.503 -7.517
113 HD23 LEU 16 HD23 LEU 16 19.944 5.924 -7.881
114 H ALA 17 HN ALA 17 21.811 1.479 -6.064
115 HA ALA 17 HA ALA 17 23.651 3.138 -7.607
116 HB1 ALA 17 HB1 ALA 17 24.727 1.282 -5.556
117 HB2 ALA 17 HB2 ALA 17 23.542 2.456 -4.986
118 HB3 ALA 17 HB3 ALA 17 25.018 3.007 -5.777
119 H ASN 18 HN ASN 18 22.999 -0.306 -7.251
120 HA ASN 18 HA ASN 18 25.410 -1.104 -8.723
121 HB2 ASN 18 HB2 ASN 18 23.045 -2.933 -8.499
122 HB3 ASN 18 HB1 ASN 18 24.763 -3.290 -8.331
123 HD21 ASN 18 HD21 ASN 18 24.870 -0.732 -6.512
124 HD22 ASN 18 HD22 ASN 18 24.332 -1.334 -4.990
125 H TYR 19 HN TYR 19 23.025 0.667 -9.826
126 HA TYR 19 HA TYR 19 22.130 -0.864 -12.141
127 HB2 TYR 19 HB2 TYR 19 20.894 1.046 -12.722
128 HB3 TYR 19 HB1 TYR 19 20.981 1.179 -10.967
129 HD1 TYR 19 HD1 TYR 19 23.477 2.235 -10.260
130 HD2 TYR 19 HD2 TYR 19 21.191 3.088 -13.796
131 HE1 TYR 19 HE1 TYR 19 24.631 4.417 -10.479
132 HE2 TYR 19 HE2 TYR 19 22.347 5.272 -14.015
133 HH TYR 19 HH TYR 19 23.623 6.800 -12.853
134 HN1 NH2 20 H1 NH2 20 24.820 1.286 -11.393
135 HN2 NH2 20 H2 NH2 20 25.522 1.258 -12.963
Contact the webmaster for help, if required. Saturday, May 4, 2024 11:29:16 PM GMT (wattos1)