Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
617912 | 5tbg RC | 30176 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 7.566 11.519 1.652
2 H2 GLY 1 HT2 GLY 1 7.416 12.077 3.250
3 H3 GLY 1 HT3 GLY 1 6.220 11.057 2.584
4 HA2 GLY 1 HA1 GLY 1 9.068 10.257 3.024
5 HA3 GLY 1 HA2 GLY 1 7.745 9.870 4.128
6 H GLU 2 HN GLU 2 5.711 9.259 2.537
7 HA GLU 2 HA GLU 2 5.884 6.626 1.780
8 HB2 GLU 2 HB2 GLU 2 3.965 7.091 0.272
9 HB3 GLU 2 HB1 GLU 2 3.789 7.901 1.825
10 HG2 GLU 2 HG2 GLU 2 4.488 9.112 -0.856
11 HG3 GLU 2 HG1 GLU 2 3.201 9.571 0.250
12 H CGU 3 HN CGU 3 6.457 9.382 -0.445
13 HA CGU 3 HA CGU 3 7.189 7.735 -2.665
14 HB2 CGU 3 HB1 CGU 3 8.042 10.603 -2.100
15 HB3 CGU 3 HB2 CGU 3 6.536 10.118 -2.927
16 HG CGU 3 HG CGU 3 9.325 9.344 -3.847
17 H CGU 4 HN CGU 4 9.203 9.482 -0.249
18 HA CGU 4 HA CGU 4 11.719 8.545 -1.202
19 HB2 CGU 4 HB1 CGU 4 10.729 9.318 1.553
20 HB3 CGU 4 HB2 CGU 4 11.835 10.202 0.503
21 HG CGU 4 HG CGU 4 12.393 7.626 2.013
22 H LEU 5 HN LEU 5 9.376 7.176 1.095
23 HA LEU 5 HA LEU 5 10.806 4.741 1.607
24 HB2 LEU 5 HB2 LEU 5 7.831 5.376 1.614
25 HB3 LEU 5 HB1 LEU 5 8.514 3.829 2.182
26 HG LEU 5 HG LEU 5 9.403 6.521 3.266
27 HD11 LEU 5 HD11 LEU 5 7.662 4.749 4.893
28 HD12 LEU 5 HD12 LEU 5 6.868 5.613 3.578
29 HD13 LEU 5 HD13 LEU 5 7.731 6.509 4.826
30 HD21 LEU 5 HD21 LEU 5 9.735 3.630 4.112
31 HD22 LEU 5 HD22 LEU 5 10.079 4.983 5.189
32 HD23 LEU 5 HD23 LEU 5 11.002 4.786 3.701
33 H ALA 6 HN ALA 6 8.328 5.637 -0.825
34 HA ALA 6 HA ALA 6 8.282 3.088 -2.161
35 HB1 ALA 6 HB1 ALA 6 6.866 4.137 -3.610
36 HB2 ALA 6 HB2 ALA 6 8.014 5.437 -3.926
37 HB3 ALA 6 HB3 ALA 6 6.977 5.504 -2.503
38 H CGU 7 HN CGU 7 10.357 5.942 -2.510
39 HA CGU 7 HA CGU 7 11.942 4.709 -4.670
40 HB2 CGU 7 HB1 CGU 7 13.312 6.730 -4.512
41 HB3 CGU 7 HB2 CGU 7 12.520 7.181 -3.006
42 HG CGU 7 HG CGU 7 10.320 7.151 -4.382
43 H LYS 8 HN LYS 8 11.628 3.585 -1.845
44 HA LYS 8 HA LYS 8 14.542 3.183 -1.345
45 HB2 LYS 8 HB2 LYS 8 13.495 4.809 0.301
46 HB3 LYS 8 HB1 LYS 8 12.509 3.461 0.866
47 HG2 LYS 8 HG2 LYS 8 14.272 3.055 2.252
48 HG3 LYS 8 HG1 LYS 8 14.956 2.291 0.826
49 HD2 LYS 8 HD2 LYS 8 15.383 5.188 1.617
50 HD3 LYS 8 HD1 LYS 8 16.544 3.906 1.843
51 HE2 LYS 8 HE2 LYS 8 17.283 4.854 -0.151
52 HE3 LYS 8 HE1 LYS 8 16.273 3.536 -0.735
53 HZ1 LYS 8 HZ1 LYS 8 14.793 5.969 -0.239
54 HZ2 LYS 8 HZ2 LYS 8 14.819 4.976 -1.639
55 HZ3 LYS 8 HZ3 LYS 8 16.016 6.163 -1.405
56 H ALA 9 HN ALA 9 11.423 2.035 -0.044
57 HA ALA 9 HA ALA 9 10.690 -0.169 0.341
58 HB1 ALA 9 HB1 ALA 9 11.202 -1.815 -1.348
59 HB2 ALA 9 HB2 ALA 9 12.650 -0.941 -1.844
60 HB3 ALA 9 HB3 ALA 9 11.056 -0.267 -2.179
61 HA PRO 10 HA PRO 10 14.313 -0.317 3.271
62 HB2 PRO 10 HB2 PRO 10 12.617 -2.066 4.843
63 HB3 PRO 10 HB1 PRO 10 13.123 -0.383 5.183
64 HG2 PRO 10 HG2 PRO 10 10.634 -1.397 3.984
65 HG3 PRO 10 HG1 PRO 10 10.952 0.132 4.817
66 HD2 PRO 10 HD2 PRO 10 10.540 0.038 2.154
67 HD3 PRO 10 HD1 PRO 10 11.688 1.193 2.870
68 H CGU 11 HN CGU 11 13.450 -2.499 1.056
69 HA CGU 11 HA CGU 11 14.745 -4.848 2.288
70 HB2 CGU 11 HB1 CGU 11 13.091 -4.329 -0.176
71 HB3 CGU 11 HB2 CGU 11 12.868 -5.558 1.063
72 HG CGU 11 HG CGU 11 15.063 -5.533 -1.026
73 H PHE 12 HN PHE 12 15.274 -2.109 0.253
74 HA PHE 12 HA PHE 12 17.578 -3.064 -1.218
75 HB2 PHE 12 HB2 PHE 12 17.869 -0.815 -1.867
76 HB3 PHE 12 HB1 PHE 12 16.138 -0.864 -1.523
77 HD1 PHE 12 HD1 PHE 12 15.467 -0.389 0.980
78 HD2 PHE 12 HD2 PHE 12 19.191 0.800 -0.791
79 HE1 PHE 12 HE1 PHE 12 15.785 1.275 2.781
80 HE2 PHE 12 HE2 PHE 12 19.505 2.477 1.010
81 HZ PHE 12 HZ PHE 12 17.797 2.707 2.796
82 H ALA 13 HN ALA 13 17.039 -1.479 1.882
83 HA ALA 13 HA ALA 13 19.667 -0.954 2.709
84 HB1 ALA 13 HB1 ALA 13 17.890 -0.196 4.114
85 HB2 ALA 13 HB2 ALA 13 18.714 -1.438 5.057
86 HB3 ALA 13 HB3 ALA 13 17.196 -1.812 4.240
87 H ARG 14 HN ARG 14 17.745 -3.944 3.025
88 HA ARG 14 HA ARG 14 19.946 -5.427 4.163
89 HB2 ARG 14 HB2 ARG 14 17.484 -6.624 2.873
90 HB3 ARG 14 HB1 ARG 14 18.516 -7.334 4.107
91 HG2 ARG 14 HG2 ARG 14 17.853 -5.611 5.702
92 HG3 ARG 14 HG1 ARG 14 16.858 -4.826 4.463
93 HD2 ARG 14 HD2 ARG 14 16.409 -7.726 5.139
94 HD3 ARG 14 HD1 ARG 14 15.707 -6.463 6.152
95 HE ARG 14 HE ARG 14 15.134 -6.718 3.208
96 HH11 ARG 14 HH11 ARG 14 13.090 -7.873 4.882
97 HH12 ARG 14 HH12 ARG 14 12.014 -6.557 5.195
98 HH21 ARG 14 HH21 ARG 14 14.314 -4.136 4.280
99 HH22 ARG 14 HH22 ARG 14 12.705 -4.449 4.860
100 H CGU 15 HN CGU 15 18.566 -5.001 0.903
101 HA CGU 15 HA CGU 15 20.084 -7.054 -0.379
102 HB2 CGU 15 HB1 CGU 15 19.824 -5.563 -2.462
103 HB3 CGU 15 HB2 CGU 15 18.921 -4.464 -1.419
104 HG CGU 15 HG CGU 15 17.528 -6.506 -0.737
105 H LEU 16 HN LEU 16 21.045 -3.925 0.797
106 HA LEU 16 HA LEU 16 23.695 -4.409 -0.478
107 HB2 LEU 16 HB2 LEU 16 24.322 -2.131 0.125
108 HB3 LEU 16 HB1 LEU 16 22.876 -2.147 -0.895
109 HG LEU 16 HG LEU 16 21.642 -2.203 1.473
110 HD11 LEU 16 HD11 LEU 16 22.875 -1.595 3.267
111 HD12 LEU 16 HD12 LEU 16 23.683 -0.310 2.370
112 HD13 LEU 16 HD13 LEU 16 24.292 -1.962 2.286
113 HD21 LEU 16 HD21 LEU 16 22.677 0.018 -0.219
114 HD22 LEU 16 HD22 LEU 16 22.016 0.460 1.354
115 HD23 LEU 16 HD23 LEU 16 21.015 -0.406 0.190
116 H ALA 17 HN ALA 17 21.936 -4.258 2.499
117 HA ALA 17 HA ALA 17 23.945 -3.992 4.430
118 HB1 ALA 17 HB1 ALA 17 21.738 -6.085 4.454
119 HB2 ALA 17 HB2 ALA 17 21.543 -4.412 4.980
120 HB3 ALA 17 HB3 ALA 17 22.620 -5.493 5.861
121 H ASN 18 HN ASN 18 23.102 -6.822 2.424
122 HA ASN 18 HA ASN 18 25.233 -8.458 3.589
123 HB2 ASN 18 HB2 ASN 18 24.857 -9.880 1.509
124 HB3 ASN 18 HB1 ASN 18 23.451 -9.664 2.548
125 HD21 ASN 18 HD21 ASN 18 24.012 -6.730 1.019
126 HD22 ASN 18 HD22 ASN 18 22.952 -6.932 -0.318
127 H TYR 19 HN TYR 19 25.253 -5.834 1.412
128 HA TYR 19 HA TYR 19 28.054 -5.800 1.111
129 HB2 TYR 19 HB2 TYR 19 28.457 -6.528 -1.105
130 HB3 TYR 19 HB1 TYR 19 27.422 -7.778 -0.433
131 HD1 TYR 19 HD1 TYR 19 27.639 -4.965 -2.792
132 HD2 TYR 19 HD2 TYR 19 25.059 -7.939 -1.076
133 HE1 TYR 19 HE1 TYR 19 25.941 -4.507 -4.544
134 HE2 TYR 19 HE2 TYR 19 23.365 -7.478 -2.827
135 HN1 NH2 20 HN1 NH2 20 25.247 -4.939 -0.941
136 HN2 NH2 20 HN2 NH2 20 25.627 -3.261 -0.988
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 6.784 11.675 3.164
2 H2 GLY 1 HT2 GLY 1 5.743 10.676 2.244
3 H3 GLY 1 HT3 GLY 1 7.316 11.046 1.675
4 HA2 GLY 1 HA1 GLY 1 8.336 9.778 3.422
5 HA3 GLY 1 HA2 GLY 1 6.760 9.508 4.166
6 H GLU 2 HN GLU 2 5.109 8.537 2.570
7 HA GLU 2 HA GLU 2 5.721 5.947 1.831
8 HB2 GLU 2 HB2 GLU 2 3.945 6.801 -0.181
9 HB3 GLU 2 HB1 GLU 2 3.515 6.081 1.367
10 HG2 GLU 2 HG2 GLU 2 2.393 8.301 0.893
11 HG3 GLU 2 HG1 GLU 2 3.293 8.250 2.405
12 H CGU 3 HN CGU 3 5.554 8.598 -0.570
13 HA CGU 3 HA CGU 3 6.794 7.156 -2.673
14 HB2 CGU 3 HB1 CGU 3 6.769 10.153 -2.130
15 HB3 CGU 3 HB2 CGU 3 5.578 9.240 -3.097
16 HG CGU 3 HG CGU 3 8.549 9.425 -3.723
17 H CGU 4 HN CGU 4 8.190 9.371 -0.249
18 HA CGU 4 HA CGU 4 10.890 9.253 -1.099
19 HB2 CGU 4 HB1 CGU 4 11.394 9.703 1.342
20 HB3 CGU 4 HB2 CGU 4 9.681 9.499 1.676
21 HG CGU 4 HG CGU 4 10.966 11.598 -0.102
22 H LEU 5 HN LEU 5 9.027 7.169 1.107
23 HA LEU 5 HA LEU 5 11.213 5.299 1.530
24 HB2 LEU 5 HB2 LEU 5 8.201 4.999 1.869
25 HB3 LEU 5 HB1 LEU 5 9.403 3.791 2.399
26 HG LEU 5 HG LEU 5 9.534 6.678 3.309
27 HD11 LEU 5 HD11 LEU 5 8.123 4.364 4.675
28 HD12 LEU 5 HD12 LEU 5 7.320 5.742 3.921
29 HD13 LEU 5 HD13 LEU 5 8.340 5.983 5.340
30 HD21 LEU 5 HD21 LEU 5 11.098 5.901 4.842
31 HD22 LEU 5 HD22 LEU 5 11.405 4.788 3.510
32 HD23 LEU 5 HD23 LEU 5 10.414 4.277 4.874
33 H ALA 6 HN ALA 6 8.385 5.484 -0.648
34 HA ALA 6 HA ALA 6 8.743 2.957 -1.941
35 HB1 ALA 6 HB1 ALA 6 7.868 5.472 -3.380
36 HB2 ALA 6 HB2 ALA 6 6.820 4.662 -2.215
37 HB3 ALA 6 HB3 ALA 6 7.344 3.812 -3.670
38 H CGU 7 HN CGU 7 10.280 6.103 -2.477
39 HA CGU 7 HA CGU 7 11.798 5.228 -4.811
40 HB2 CGU 7 HB1 CGU 7 13.085 7.347 -4.400
41 HB3 CGU 7 HB2 CGU 7 12.166 7.574 -2.914
42 HG CGU 7 HG CGU 7 10.063 7.389 -4.445
43 H LYS 8 HN LYS 8 11.919 4.279 -1.670
44 HA LYS 8 HA LYS 8 14.878 3.795 -1.755
45 HB2 LYS 8 HB2 LYS 8 14.251 5.374 0.040
46 HB3 LYS 8 HB1 LYS 8 13.116 4.182 0.677
47 HG2 LYS 8 HG2 LYS 8 14.920 3.574 1.960
48 HG3 LYS 8 HG1 LYS 8 15.329 2.647 0.525
49 HD2 LYS 8 HD2 LYS 8 16.264 5.489 0.970
50 HD3 LYS 8 HD1 LYS 8 17.207 4.096 1.427
51 HE2 LYS 8 HE2 LYS 8 16.355 4.909 -1.353
52 HE3 LYS 8 HE1 LYS 8 17.997 4.735 -0.732
53 HZ1 LYS 8 HZ1 LYS 8 16.021 2.554 -1.180
54 HZ2 LYS 8 HZ2 LYS 8 17.508 2.350 -0.380
55 HZ3 LYS 8 HZ3 LYS 8 17.479 2.809 -2.016
56 H ALA 9 HN ALA 9 11.869 2.547 -0.311
57 HA ALA 9 HA ALA 9 11.221 0.323 0.101
58 HB1 ALA 9 HB1 ALA 9 12.062 0.377 -2.501
59 HB2 ALA 9 HB2 ALA 9 11.408 -1.059 -1.711
60 HB3 ALA 9 HB3 ALA 9 13.154 -0.833 -1.827
61 HA PRO 10 HA PRO 10 14.830 0.255 3.057
62 HB2 PRO 10 HB2 PRO 10 13.163 -1.548 4.589
63 HB3 PRO 10 HB1 PRO 10 13.618 0.144 4.960
64 HG2 PRO 10 HG2 PRO 10 11.170 -0.921 3.711
65 HG3 PRO 10 HG1 PRO 10 11.430 0.595 4.589
66 HD2 PRO 10 HD2 PRO 10 11.054 0.578 1.924
67 HD3 PRO 10 HD1 PRO 10 12.188 1.725 2.680
68 H CGU 11 HN CGU 11 13.494 -2.126 1.061
69 HA CGU 11 HA CGU 11 14.903 -4.415 2.105
70 HB2 CGU 11 HB1 CGU 11 14.426 -4.658 -0.711
71 HB3 CGU 11 HB2 CGU 11 13.017 -3.887 0.011
72 HG CGU 11 HG CGU 11 12.844 -5.700 1.655
73 H PHE 12 HN PHE 12 15.666 -1.646 0.053
74 HA PHE 12 HA PHE 12 17.970 -2.822 -1.242
75 HB2 PHE 12 HB2 PHE 12 18.500 -0.639 -1.927
76 HB3 PHE 12 HB1 PHE 12 16.755 -0.528 -1.682
77 HD1 PHE 12 HD1 PHE 12 15.988 0.080 0.752
78 HD2 PHE 12 HD2 PHE 12 19.901 0.883 -0.812
79 HE1 PHE 12 HE1 PHE 12 16.331 1.776 2.510
80 HE2 PHE 12 HE2 PHE 12 20.246 2.595 0.952
81 HZ PHE 12 HZ PHE 12 18.448 3.035 2.607
82 H ALA 13 HN ALA 13 17.487 -1.076 1.800
83 HA ALA 13 HA ALA 13 20.116 -0.757 2.687
84 HB1 ALA 13 HB1 ALA 13 17.594 -1.452 4.225
85 HB2 ALA 13 HB2 ALA 13 18.317 0.144 4.004
86 HB3 ALA 13 HB3 ALA 13 19.121 -1.055 5.017
87 H ARG 14 HN ARG 14 17.980 -3.561 3.383
88 HA ARG 14 HA ARG 14 20.182 -5.123 4.385
89 HB2 ARG 14 HB2 ARG 14 17.432 -6.073 3.557
90 HB3 ARG 14 HB1 ARG 14 18.580 -6.930 4.587
91 HG2 ARG 14 HG2 ARG 14 18.551 -4.952 6.137
92 HG3 ARG 14 HG1 ARG 14 17.236 -4.279 5.155
93 HD2 ARG 14 HD2 ARG 14 15.778 -6.099 5.696
94 HD3 ARG 14 HD1 ARG 14 17.099 -7.045 6.388
95 HE ARG 14 HE ARG 14 16.873 -4.576 7.825
96 HH11 ARG 14 HH11 ARG 14 16.998 -7.415 8.905
97 HH12 ARG 14 HH12 ARG 14 15.486 -7.513 9.737
98 HH21 ARG 14 HH21 ARG 14 14.180 -4.728 8.174
99 HH22 ARG 14 HH22 ARG 14 13.887 -5.988 9.320
100 H CGU 15 HN CGU 15 18.531 -4.859 1.242
101 HA CGU 15 HA CGU 15 19.638 -7.181 0.025
102 HB2 CGU 15 HB1 CGU 15 19.503 -5.779 -2.148
103 HB3 CGU 15 HB2 CGU 15 18.818 -4.515 -1.134
104 HG CGU 15 HG CGU 15 17.167 -6.310 -0.308
105 H LEU 16 HN LEU 16 21.131 -4.123 0.815
106 HA LEU 16 HA LEU 16 23.584 -5.139 -0.540
107 HB2 LEU 16 HB2 LEU 16 24.563 -2.931 -0.287
108 HB3 LEU 16 HB1 LEU 16 23.036 -2.844 -1.179
109 HG LEU 16 HG LEU 16 22.031 -2.441 1.257
110 HD11 LEU 16 HD11 LEU 16 24.261 -0.765 1.923
111 HD12 LEU 16 HD12 LEU 16 24.845 -2.419 1.727
112 HD13 LEU 16 HD13 LEU 16 23.551 -2.070 2.873
113 HD21 LEU 16 HD21 LEU 16 23.501 -0.089 0.136
114 HD22 LEU 16 HD22 LEU 16 21.822 -0.215 0.663
115 HD23 LEU 16 HD23 LEU 16 22.313 -0.894 -0.889
116 H ALA 17 HN ALA 17 22.102 -4.393 2.506
117 HA ALA 17 HA ALA 17 24.305 -4.210 4.234
118 HB1 ALA 17 HB1 ALA 17 21.862 -4.217 4.939
119 HB2 ALA 17 HB2 ALA 17 22.922 -5.177 5.969
120 HB3 ALA 17 HB3 ALA 17 21.893 -5.973 4.779
121 H ASN 18 HN ASN 18 22.912 -7.069 2.617
122 HA ASN 18 HA ASN 18 24.858 -8.878 3.862
123 HB2 ASN 18 HB2 ASN 18 24.114 -10.448 1.991
124 HB3 ASN 18 HB1 ASN 18 22.854 -9.921 3.103
125 HD21 ASN 18 HD21 ASN 18 23.684 -7.289 1.186
126 HD22 ASN 18 HD22 ASN 18 22.480 -7.471 -0.025
127 H TYR 19 HN TYR 19 25.087 -6.542 1.404
128 HA TYR 19 HA TYR 19 27.826 -6.958 0.916
129 HB2 TYR 19 HB2 TYR 19 27.937 -7.930 -1.249
130 HB3 TYR 19 HB1 TYR 19 26.859 -8.978 -0.341
131 HD1 TYR 19 HD1 TYR 19 24.407 -8.865 -0.696
132 HD2 TYR 19 HD2 TYR 19 27.141 -6.563 -3.074
133 HE1 TYR 19 HE1 TYR 19 22.602 -8.417 -2.334
134 HE2 TYR 19 HE2 TYR 19 25.334 -6.118 -4.716
135 HN1 NH2 20 HN1 NH2 20 25.016 -5.931 -1.054
136 HN2 NH2 20 HN2 NH2 20 25.623 -4.345 -1.332
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 10.136 9.984 3.275
2 H2 GLY 1 HT2 GLY 1 9.495 11.561 3.280
3 H3 GLY 1 HT3 GLY 1 9.552 10.674 1.833
4 HA2 GLY 1 HA1 GLY 1 8.027 9.653 4.143
5 HA3 GLY 1 HA2 GLY 1 7.324 10.857 3.072
6 H GLU 2 HN GLU 2 5.762 9.479 2.192
7 HA GLU 2 HA GLU 2 5.882 6.867 1.355
8 HB2 GLU 2 HB2 GLU 2 3.901 8.375 1.175
9 HB3 GLU 2 HB1 GLU 2 4.622 9.101 -0.262
10 HG2 GLU 2 HG2 GLU 2 2.993 7.341 -0.872
11 HG3 GLU 2 HG1 GLU 2 4.622 6.900 -1.382
12 H CGU 3 HN CGU 3 6.576 9.508 -0.993
13 HA CGU 3 HA CGU 3 7.587 7.869 -3.027
14 HB2 CGU 3 HB1 CGU 3 9.225 10.127 -3.188
15 HB3 CGU 3 HB2 CGU 3 7.764 10.727 -2.362
16 HG CGU 3 HG CGU 3 6.369 10.182 -4.179
17 H CGU 4 HN CGU 4 9.483 9.587 -0.526
18 HA CGU 4 HA CGU 4 12.006 8.449 -1.044
19 HB2 CGU 4 HB1 CGU 4 10.634 9.400 1.452
20 HB3 CGU 4 HB2 CGU 4 12.012 10.108 0.620
21 HG CGU 4 HG CGU 4 12.105 7.440 2.070
22 H LEU 5 HN LEU 5 9.368 7.222 1.054
23 HA LEU 5 HA LEU 5 10.690 4.757 1.704
24 HB2 LEU 5 HB2 LEU 5 8.943 4.796 3.111
25 HB3 LEU 5 HB1 LEU 5 8.105 6.009 2.113
26 HG LEU 5 HG LEU 5 7.295 4.223 0.632
27 HD11 LEU 5 HD11 LEU 5 8.231 2.161 0.650
28 HD12 LEU 5 HD12 LEU 5 7.798 1.957 2.346
29 HD13 LEU 5 HD13 LEU 5 9.338 2.698 1.915
30 HD21 LEU 5 HD21 LEU 5 6.489 4.815 3.231
31 HD22 LEU 5 HD22 LEU 5 6.473 3.053 3.170
32 HD23 LEU 5 HD23 LEU 5 5.528 3.984 2.008
33 H ALA 6 HN ALA 6 8.344 5.654 -0.850
34 HA ALA 6 HA ALA 6 8.230 3.052 -2.082
35 HB1 ALA 6 HB1 ALA 6 8.006 5.723 -3.506
36 HB2 ALA 6 HB2 ALA 6 6.700 5.032 -2.543
37 HB3 ALA 6 HB3 ALA 6 7.273 4.191 -3.983
38 H CGU 7 HN CGU 7 10.462 5.765 -2.436
39 HA CGU 7 HA CGU 7 11.979 4.451 -4.594
40 HB2 CGU 7 HB1 CGU 7 13.429 6.428 -4.446
41 HB3 CGU 7 HB2 CGU 7 12.647 6.915 -2.944
42 HG CGU 7 HG CGU 7 10.445 6.842 -4.400
43 H LYS 8 HN LYS 8 11.652 3.905 -1.396
44 HA LYS 8 HA LYS 8 14.534 3.281 -0.889
45 HB2 LYS 8 HB2 LYS 8 13.257 4.661 0.796
46 HB3 LYS 8 HB1 LYS 8 12.222 3.258 1.065
47 HG2 LYS 8 HG2 LYS 8 13.769 2.710 2.643
48 HG3 LYS 8 HG1 LYS 8 14.679 2.108 1.263
49 HD2 LYS 8 HD2 LYS 8 14.941 4.814 2.597
50 HD3 LYS 8 HD1 LYS 8 16.148 3.553 2.521
51 HE2 LYS 8 HE2 LYS 8 16.621 3.945 0.260
52 HE3 LYS 8 HE1 LYS 8 15.087 4.770 -0.008
53 HZ1 LYS 8 HZ1 LYS 8 17.039 6.276 0.154
54 HZ2 LYS 8 HZ2 LYS 8 17.201 5.816 1.783
55 HZ3 LYS 8 HZ3 LYS 8 15.787 6.624 1.260
56 H ALA 9 HN ALA 9 11.345 1.843 -0.207
57 HA ALA 9 HA ALA 9 10.689 -0.419 -0.199
58 HB1 ALA 9 HB1 ALA 9 13.084 -1.181 -1.838
59 HB2 ALA 9 HB2 ALA 9 11.876 -0.130 -2.576
60 HB3 ALA 9 HB3 ALA 9 11.412 -1.725 -1.982
61 HA PRO 10 HA PRO 10 13.619 -0.563 3.428
62 HB2 PRO 10 HB2 PRO 10 11.751 -2.511 4.486
63 HB3 PRO 10 HB1 PRO 10 12.054 -0.829 5.027
64 HG2 PRO 10 HG2 PRO 10 9.969 -1.892 3.236
65 HG3 PRO 10 HG1 PRO 10 9.975 -0.423 4.224
66 HD2 PRO 10 HD2 PRO 10 10.166 -0.290 1.548
67 HD3 PRO 10 HD1 PRO 10 11.079 0.836 2.583
68 H CGU 11 HN CGU 11 13.352 -2.665 0.963
69 HA CGU 11 HA CGU 11 14.617 -4.959 2.343
70 HB2 CGU 11 HB1 CGU 11 14.465 -5.293 -0.501
71 HB3 CGU 11 HB2 CGU 11 12.908 -4.680 0.051
72 HG CGU 11 HG CGU 11 12.826 -6.474 1.759
73 H PHE 12 HN PHE 12 15.185 -2.146 0.401
74 HA PHE 12 HA PHE 12 17.662 -2.782 -0.842
75 HB2 PHE 12 HB2 PHE 12 17.948 -0.450 -1.102
76 HB3 PHE 12 HB1 PHE 12 16.193 -0.619 -0.983
77 HD1 PHE 12 HD1 PHE 12 15.194 -0.518 1.439
78 HD2 PHE 12 HD2 PHE 12 19.060 1.005 0.372
79 HE1 PHE 12 HE1 PHE 12 15.205 0.862 3.488
80 HE2 PHE 12 HE2 PHE 12 19.070 2.398 2.426
81 HZ PHE 12 HZ PHE 12 17.134 2.320 3.976
82 H ALA 13 HN ALA 13 16.937 -1.570 2.412
83 HA ALA 13 HA ALA 13 19.454 -1.058 3.448
84 HB1 ALA 13 HB1 ALA 13 17.425 -0.740 4.771
85 HB2 ALA 13 HB2 ALA 13 18.523 -1.799 5.654
86 HB3 ALA 13 HB3 ALA 13 17.136 -2.479 4.805
87 H ARG 14 HN ARG 14 17.817 -4.249 3.549
88 HA ARG 14 HA ARG 14 20.256 -5.579 4.354
89 HB2 ARG 14 HB2 ARG 14 17.748 -6.915 3.322
90 HB3 ARG 14 HB1 ARG 14 18.979 -7.592 4.385
91 HG2 ARG 14 HG2 ARG 14 18.404 -5.997 6.133
92 HG3 ARG 14 HG1 ARG 14 17.227 -5.216 5.066
93 HD2 ARG 14 HD2 ARG 14 16.362 -7.788 4.920
94 HD3 ARG 14 HD1 ARG 14 17.014 -7.774 6.561
95 HE ARG 14 HE ARG 14 15.057 -6.587 7.128
96 HH11 ARG 14 HH11 ARG 14 14.008 -6.920 4.293
97 HH12 ARG 14 HH12 ARG 14 13.672 -5.272 3.882
98 HH21 ARG 14 HH21 ARG 14 15.562 -3.979 6.441
99 HH22 ARG 14 HH22 ARG 14 14.577 -3.616 5.049
100 H CGU 15 HN CGU 15 18.501 -5.097 1.300
101 HA CGU 15 HA CGU 15 19.955 -6.998 -0.253
102 HB2 CGU 15 HB1 CGU 15 19.363 -5.474 -2.210
103 HB3 CGU 15 HB2 CGU 15 18.623 -4.393 -1.030
104 HG CGU 15 HG CGU 15 17.316 -6.439 -0.204
105 H LEU 16 HN LEU 16 20.893 -3.903 1.012
106 HA LEU 16 HA LEU 16 23.411 -4.159 -0.559
107 HB2 LEU 16 HB2 LEU 16 23.983 -1.891 0.100
108 HB3 LEU 16 HB1 LEU 16 22.424 -1.921 -0.735
109 HG LEU 16 HG LEU 16 21.545 -2.207 1.800
110 HD11 LEU 16 HD11 LEU 16 23.996 -0.441 2.057
111 HD12 LEU 16 HD12 LEU 16 23.913 -2.094 2.663
112 HD13 LEU 16 HD13 LEU 16 22.851 -0.857 3.331
113 HD21 LEU 16 HD21 LEU 16 22.352 0.503 0.725
114 HD22 LEU 16 HD22 LEU 16 20.955 0.110 1.726
115 HD23 LEU 16 HD23 LEU 16 21.015 -0.427 0.049
116 H ALA 17 HN ALA 17 21.956 -4.267 2.591
117 HA ALA 17 HA ALA 17 24.145 -4.005 4.315
118 HB1 ALA 17 HB1 ALA 17 22.068 -6.221 4.452
119 HB2 ALA 17 HB2 ALA 17 21.831 -4.586 5.073
120 HB3 ALA 17 HB3 ALA 17 23.053 -5.633 5.790
121 H ASN 18 HN ASN 18 23.237 -6.752 2.229
122 HA ASN 18 HA ASN 18 25.554 -8.337 3.068
123 HB2 ASN 18 HB2 ASN 18 25.015 -9.653 0.943
124 HB3 ASN 18 HB1 ASN 18 23.746 -9.596 2.163
125 HD21 ASN 18 HD21 ASN 18 23.988 -6.549 0.740
126 HD22 ASN 18 HD22 ASN 18 22.757 -6.731 -0.445
127 H TYR 19 HN TYR 19 25.226 -5.597 1.079
128 HA TYR 19 HA TYR 19 27.967 -5.404 0.473
129 HB2 TYR 19 HB2 TYR 19 28.154 -5.966 -1.818
130 HB3 TYR 19 HB1 TYR 19 27.272 -7.315 -1.121
131 HD1 TYR 19 HD1 TYR 19 24.825 -7.515 -1.448
132 HD2 TYR 19 HD2 TYR 19 27.104 -4.423 -3.365
133 HE1 TYR 19 HE1 TYR 19 22.921 -7.057 -2.966
134 HE2 TYR 19 HE2 TYR 19 25.196 -3.967 -4.890
135 HN1 NH2 20 HN1 NH2 20 24.927 -4.571 -1.233
136 HN2 NH2 20 HN2 NH2 20 25.227 -2.875 -1.211
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 8.613 11.361 3.225
2 H2 GLY 1 HT2 GLY 1 9.016 10.332 1.932
3 H3 GLY 1 HT3 GLY 1 9.619 10.019 3.492
4 HA2 GLY 1 HA1 GLY 1 7.763 8.992 4.165
5 HA3 GLY 1 HA2 GLY 1 6.737 10.167 3.351
6 H GLU 2 HN GLU 2 5.394 8.848 2.178
7 HA GLU 2 HA GLU 2 5.723 6.384 1.050
8 HB2 GLU 2 HB2 GLU 2 3.628 7.558 0.853
9 HB3 GLU 2 HB1 GLU 2 4.355 8.799 -0.166
10 HG2 GLU 2 HG2 GLU 2 4.380 5.897 -1.001
11 HG3 GLU 2 HG1 GLU 2 2.983 6.921 -1.322
12 H CGU 3 HN CGU 3 6.396 9.298 -0.950
13 HA CGU 3 HA CGU 3 7.611 7.945 -3.074
14 HB2 CGU 3 HB1 CGU 3 9.085 10.317 -2.905
15 HB3 CGU 3 HB2 CGU 3 7.532 10.716 -2.126
16 HG CGU 3 HG CGU 3 6.294 10.239 -4.077
17 H CGU 4 HN CGU 4 9.295 9.515 -0.315
18 HA CGU 4 HA CGU 4 11.888 8.527 -0.860
19 HB2 CGU 4 HB1 CGU 4 10.458 9.166 1.724
20 HB3 CGU 4 HB2 CGU 4 11.724 10.092 0.923
21 HG CGU 4 HG CGU 4 12.074 7.371 2.234
22 H LEU 5 HN LEU 5 9.251 7.079 1.079
23 HA LEU 5 HA LEU 5 10.582 4.611 1.645
24 HB2 LEU 5 HB2 LEU 5 7.659 5.349 1.324
25 HB3 LEU 5 HB1 LEU 5 8.176 3.693 1.743
26 HG LEU 5 HG LEU 5 9.035 6.156 3.297
27 HD11 LEU 5 HD11 LEU 5 7.300 5.712 4.866
28 HD12 LEU 5 HD12 LEU 5 6.910 4.167 4.112
29 HD13 LEU 5 HD13 LEU 5 6.516 5.675 3.289
30 HD21 LEU 5 HD21 LEU 5 10.532 4.517 3.926
31 HD22 LEU 5 HD22 LEU 5 9.436 3.202 3.495
32 HD23 LEU 5 HD23 LEU 5 9.206 4.085 5.004
33 H ALA 6 HN ALA 6 8.465 5.589 -1.077
34 HA ALA 6 HA ALA 6 8.664 3.072 -2.488
35 HB1 ALA 6 HB1 ALA 6 7.870 4.347 -4.434
36 HB2 ALA 6 HB2 ALA 6 8.272 5.864 -3.627
37 HB3 ALA 6 HB3 ALA 6 6.975 4.847 -2.997
38 H CGU 7 HN CGU 7 10.596 6.035 -2.510
39 HA CGU 7 HA CGU 7 12.477 5.026 -4.531
40 HB2 CGU 7 HB1 CGU 7 13.692 7.097 -4.095
41 HB3 CGU 7 HB2 CGU 7 12.761 7.373 -2.627
42 HG CGU 7 HG CGU 7 10.685 7.328 -4.224
43 H LYS 8 HN LYS 8 11.890 3.691 -1.836
44 HA LYS 8 HA LYS 8 14.739 3.321 -1.046
45 HB2 LYS 8 HB2 LYS 8 13.528 4.881 0.546
46 HB3 LYS 8 HB1 LYS 8 12.490 3.517 0.959
47 HG2 LYS 8 HG2 LYS 8 14.101 3.072 2.514
48 HG3 LYS 8 HG1 LYS 8 14.930 2.343 1.147
49 HD2 LYS 8 HD2 LYS 8 15.271 5.210 2.075
50 HD3 LYS 8 HD1 LYS 8 16.409 3.919 2.357
51 HE2 LYS 8 HE2 LYS 8 17.340 4.915 0.482
52 HE3 LYS 8 HE1 LYS 8 16.349 3.664 -0.261
53 HZ1 LYS 8 HZ1 LYS 8 16.218 6.339 -0.784
54 HZ2 LYS 8 HZ2 LYS 8 14.882 6.098 0.245
55 HZ3 LYS 8 HZ3 LYS 8 15.029 5.200 -1.211
56 H ALA 9 HN ALA 9 11.514 2.087 -0.129
57 HA ALA 9 HA ALA 9 10.774 -0.143 0.058
58 HB1 ALA 9 HB1 ALA 9 12.642 -1.625 -1.454
59 HB2 ALA 9 HB2 ALA 9 12.505 -0.073 -2.282
60 HB3 ALA 9 HB3 ALA 9 11.064 -1.051 -2.000
61 HA PRO 10 HA PRO 10 13.914 -0.183 3.516
62 HB2 PRO 10 HB2 PRO 10 12.025 -1.953 4.820
63 HB3 PRO 10 HB1 PRO 10 12.436 -0.254 5.217
64 HG2 PRO 10 HG2 PRO 10 10.198 -1.336 3.632
65 HG3 PRO 10 HG1 PRO 10 10.332 0.196 4.510
66 HD2 PRO 10 HD2 PRO 10 10.363 0.133 1.825
67 HD3 PRO 10 HD1 PRO 10 11.384 1.282 2.721
68 H CGU 11 HN CGU 11 13.387 -2.426 1.228
69 HA CGU 11 HA CGU 11 14.635 -4.669 2.695
70 HB2 CGU 11 HB1 CGU 11 14.241 -5.248 -0.078
71 HB3 CGU 11 HB2 CGU 11 12.766 -4.494 0.523
72 HG CGU 11 HG CGU 11 12.674 -6.109 2.370
73 H PHE 12 HN PHE 12 15.196 -2.038 0.530
74 HA PHE 12 HA PHE 12 17.553 -2.940 -0.816
75 HB2 PHE 12 HB2 PHE 12 17.892 -0.676 -1.378
76 HB3 PHE 12 HB1 PHE 12 16.149 -0.739 -1.102
77 HD1 PHE 12 HD1 PHE 12 15.412 -0.382 1.423
78 HD2 PHE 12 HD2 PHE 12 19.133 0.959 -0.246
79 HE1 PHE 12 HE1 PHE 12 15.648 1.240 3.272
80 HE2 PHE 12 HE2 PHE 12 19.366 2.593 1.606
81 HZ PHE 12 HZ PHE 12 17.616 2.724 3.362
82 H ALA 13 HN ALA 13 17.049 -1.417 2.339
83 HA ALA 13 HA ALA 13 19.645 -0.875 3.165
84 HB1 ALA 13 HB1 ALA 13 18.034 -2.232 5.236
85 HB2 ALA 13 HB2 ALA 13 17.177 -0.939 4.395
86 HB3 ALA 13 HB3 ALA 13 18.700 -0.597 5.219
87 H ARG 14 HN ARG 14 17.914 -3.978 3.669
88 HA ARG 14 HA ARG 14 20.354 -5.318 4.462
89 HB2 ARG 14 HB2 ARG 14 17.754 -6.663 3.702
90 HB3 ARG 14 HB1 ARG 14 19.021 -7.269 4.764
91 HG2 ARG 14 HG2 ARG 14 18.581 -5.507 6.376
92 HG3 ARG 14 HG1 ARG 14 17.384 -4.778 5.295
93 HD2 ARG 14 HD2 ARG 14 16.364 -7.265 5.409
94 HD3 ARG 14 HD1 ARG 14 17.169 -7.235 6.979
95 HE ARG 14 HE ARG 14 15.245 -6.013 7.620
96 HH11 ARG 14 HH11 ARG 14 14.670 -5.874 4.486
97 HH12 ARG 14 HH12 ARG 14 14.364 -4.158 4.373
98 HH21 ARG 14 HH21 ARG 14 15.588 -3.450 7.487
99 HH22 ARG 14 HH22 ARG 14 14.860 -2.825 6.045
100 H CGU 15 HN CGU 15 18.432 -5.067 1.476
101 HA CGU 15 HA CGU 15 19.737 -7.159 0.040
102 HB2 CGU 15 HB1 CGU 15 19.075 -5.823 -2.020
103 HB3 CGU 15 HB2 CGU 15 18.450 -4.594 -0.922
104 HG CGU 15 HG CGU 15 17.137 -6.504 0.196
105 H LEU 16 HN LEU 16 20.840 -3.992 0.945
106 HA LEU 16 HA LEU 16 23.251 -4.488 -0.731
107 HB2 LEU 16 HB2 LEU 16 23.934 -2.194 -0.325
108 HB3 LEU 16 HB1 LEU 16 22.330 -2.243 -1.071
109 HG LEU 16 HG LEU 16 21.595 -2.260 1.531
110 HD11 LEU 16 HD11 LEU 16 24.124 -0.590 1.450
111 HD12 LEU 16 HD12 LEU 16 23.982 -2.142 2.275
112 HD13 LEU 16 HD13 LEU 16 23.026 -0.763 2.818
113 HD21 LEU 16 HD21 LEU 16 21.107 -0.621 -0.434
114 HD22 LEU 16 HD22 LEU 16 22.397 0.356 0.271
115 HD23 LEU 16 HD23 LEU 16 20.955 -0.019 1.217
116 H ALA 17 HN ALA 17 21.990 -4.226 2.497
117 HA ALA 17 HA ALA 17 24.294 -3.882 4.049
118 HB1 ALA 17 HB1 ALA 17 23.243 -5.295 5.754
119 HB2 ALA 17 HB2 ALA 17 22.160 -5.989 4.549
120 HB3 ALA 17 HB3 ALA 17 22.008 -4.289 4.998
121 H ASN 18 HN ASN 18 23.160 -6.784 2.308
122 HA ASN 18 HA ASN 18 25.464 -8.374 3.172
123 HB2 ASN 18 HB2 ASN 18 24.767 -9.878 1.245
124 HB3 ASN 18 HB1 ASN 18 23.538 -9.618 2.479
125 HD21 ASN 18 HD21 ASN 18 23.817 -6.746 0.787
126 HD22 ASN 18 HD22 ASN 18 22.571 -7.003 -0.370
127 H TYR 19 HN TYR 19 25.107 -5.834 0.925
128 HA TYR 19 HA TYR 19 27.818 -5.822 0.151
129 HB2 TYR 19 HB2 TYR 19 27.840 -6.635 -2.068
130 HB3 TYR 19 HB1 TYR 19 26.927 -7.851 -1.188
131 HD1 TYR 19 HD1 TYR 19 26.757 -5.115 -3.641
132 HD2 TYR 19 HD2 TYR 19 24.495 -8.023 -1.436
133 HE1 TYR 19 HE1 TYR 19 24.799 -4.712 -5.113
134 HE2 TYR 19 HE2 TYR 19 22.540 -7.620 -2.907
135 HN1 NH2 20 HN1 NH2 20 24.694 -5.018 -1.402
136 HN2 NH2 20 HN2 NH2 20 25.069 -3.350 -1.599
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 7.113 10.214 5.352
2 H2 GLY 1 HT2 GLY 1 6.273 9.690 3.960
3 H3 GLY 1 HT3 GLY 1 7.682 10.645 3.812
4 HA2 GLY 1 HA1 GLY 1 9.109 8.932 4.388
5 HA3 GLY 1 HA2 GLY 1 7.817 8.031 5.179
6 H GLU 2 HN GLU 2 5.911 7.577 3.521
7 HA GLU 2 HA GLU 2 6.564 5.621 1.716
8 HB2 GLU 2 HB2 GLU 2 4.505 7.030 0.393
9 HB3 GLU 2 HB1 GLU 2 4.324 5.676 1.505
10 HG2 GLU 2 HG2 GLU 2 2.995 7.720 2.152
11 HG3 GLU 2 HG1 GLU 2 4.111 7.176 3.400
12 H CGU 3 HN CGU 3 6.030 8.978 0.662
13 HA CGU 3 HA CGU 3 6.752 8.855 -1.986
14 HB2 CGU 3 HB1 CGU 3 7.666 11.027 -0.059
15 HB3 CGU 3 HB2 CGU 3 6.028 10.912 -0.746
16 HG CGU 3 HG CGU 3 7.279 12.511 -2.054
17 H CGU 4 HN CGU 4 9.052 9.063 0.737
18 HA CGU 4 HA CGU 4 11.325 8.762 -1.128
19 HB2 CGU 4 HB1 CGU 4 11.050 9.186 1.844
20 HB3 CGU 4 HB2 CGU 4 11.958 10.135 0.668
21 HG CGU 4 HG CGU 4 12.671 7.377 1.732
22 H LEU 5 HN LEU 5 9.668 6.950 1.447
23 HA LEU 5 HA LEU 5 11.267 4.603 1.313
24 HB2 LEU 5 HB2 LEU 5 8.342 4.974 2.017
25 HB3 LEU 5 HB1 LEU 5 9.214 3.432 2.217
26 HG LEU 5 HG LEU 5 10.227 6.023 3.423
27 HD11 LEU 5 HD11 LEU 5 8.442 3.943 4.727
28 HD12 LEU 5 HD12 LEU 5 7.941 5.572 4.275
29 HD13 LEU 5 HD13 LEU 5 9.160 5.341 5.528
30 HD21 LEU 5 HD21 LEU 5 10.651 3.114 4.179
31 HD22 LEU 5 HD22 LEU 5 11.482 4.509 4.858
32 HD23 LEU 5 HD23 LEU 5 11.762 4.049 3.181
33 H ALA 6 HN ALA 6 8.413 5.607 -0.599
34 HA ALA 6 HA ALA 6 7.974 3.207 -2.045
35 HB1 ALA 6 HB1 ALA 6 6.414 4.734 -2.736
36 HB2 ALA 6 HB2 ALA 6 7.598 5.090 -3.994
37 HB3 ALA 6 HB3 ALA 6 7.520 6.096 -2.549
38 H CGU 7 HN CGU 7 10.384 5.755 -2.630
39 HA CGU 7 HA CGU 7 11.546 4.168 -4.854
40 HB2 CGU 7 HB1 CGU 7 12.482 6.081 -5.590
41 HB3 CGU 7 HB2 CGU 7 13.123 6.468 -3.997
42 HG CGU 7 HG CGU 7 10.993 7.400 -3.316
43 H LYS 8 HN LYS 8 11.579 3.694 -1.778
44 HA LYS 8 HA LYS 8 14.522 3.158 -1.572
45 HB2 LYS 8 HB2 LYS 8 13.582 4.804 0.096
46 HB3 LYS 8 HB1 LYS 8 12.584 3.489 0.714
47 HG2 LYS 8 HG2 LYS 8 14.372 3.063 2.058
48 HG3 LYS 8 HG1 LYS 8 14.998 2.262 0.625
49 HD2 LYS 8 HD2 LYS 8 15.479 5.185 1.251
50 HD3 LYS 8 HD1 LYS 8 16.599 3.915 1.662
51 HE2 LYS 8 HE2 LYS 8 17.472 4.567 -0.375
52 HE3 LYS 8 HE1 LYS 8 16.362 3.302 -0.904
53 HZ1 LYS 8 HZ1 LYS 8 16.345 5.799 -1.864
54 HZ2 LYS 8 HZ2 LYS 8 15.193 5.962 -0.617
55 HZ3 LYS 8 HZ3 LYS 8 14.975 4.797 -1.850
56 H ALA 9 HN ALA 9 11.443 1.998 -0.201
57 HA ALA 9 HA ALA 9 10.756 -0.204 0.284
58 HB1 ALA 9 HB1 ALA 9 12.694 -0.950 -1.935
59 HB2 ALA 9 HB2 ALA 9 11.038 -0.411 -2.214
60 HB3 ALA 9 HB3 ALA 9 11.340 -1.917 -1.349
61 HA PRO 10 HA PRO 10 14.430 -0.239 3.157
62 HB2 PRO 10 HB2 PRO 10 12.775 -1.945 4.815
63 HB3 PRO 10 HB1 PRO 10 13.282 -0.250 5.096
64 HG2 PRO 10 HG2 PRO 10 10.768 -1.307 3.996
65 HG3 PRO 10 HG1 PRO 10 11.106 0.254 4.760
66 HD2 PRO 10 HD2 PRO 10 10.624 0.045 2.109
67 HD3 PRO 10 HD1 PRO 10 11.766 1.245 2.754
68 H CGU 11 HN CGU 11 13.481 -2.499 1.044
69 HA CGU 11 HA CGU 11 14.797 -4.824 2.288
70 HB2 CGU 11 HB1 CGU 11 13.100 -4.309 -0.142
71 HB3 CGU 11 HB2 CGU 11 12.923 -5.554 1.087
72 HG CGU 11 HG CGU 11 15.071 -5.492 -1.050
73 H PHE 12 HN PHE 12 15.315 -2.132 0.152
74 HA PHE 12 HA PHE 12 17.615 -3.145 -1.283
75 HB2 PHE 12 HB2 PHE 12 17.899 -0.931 -2.031
76 HB3 PHE 12 HB1 PHE 12 16.176 -0.946 -1.650
77 HD1 PHE 12 HD1 PHE 12 15.564 -0.370 0.845
78 HD2 PHE 12 HD2 PHE 12 19.256 0.719 -1.052
79 HE1 PHE 12 HE1 PHE 12 15.931 1.360 2.570
80 HE2 PHE 12 HE2 PHE 12 19.621 2.464 0.675
81 HZ PHE 12 HZ PHE 12 17.950 2.777 2.486
82 H ALA 13 HN ALA 13 17.089 -1.444 1.759
83 HA ALA 13 HA ALA 13 19.729 -0.920 2.562
84 HB1 ALA 13 HB1 ALA 13 17.999 -0.059 3.945
85 HB2 ALA 13 HB2 ALA 13 18.750 -1.314 4.931
86 HB3 ALA 13 HB3 ALA 13 17.226 -1.637 4.105
87 H ARG 14 HN ARG 14 17.770 -3.877 2.923
88 HA ARG 14 HA ARG 14 19.942 -5.333 4.169
89 HB2 ARG 14 HB2 ARG 14 17.504 -6.591 2.899
90 HB3 ARG 14 HB1 ARG 14 18.503 -7.218 4.206
91 HG2 ARG 14 HG2 ARG 14 17.788 -5.401 5.671
92 HG3 ARG 14 HG1 ARG 14 16.825 -4.703 4.358
93 HD2 ARG 14 HD2 ARG 14 15.882 -7.267 4.373
94 HD3 ARG 14 HD1 ARG 14 16.244 -7.039 6.086
95 HE ARG 14 HE ARG 14 14.021 -5.873 4.716
96 HH11 ARG 14 HH11 ARG 14 14.480 -6.076 7.709
97 HH12 ARG 14 HH12 ARG 14 14.501 -4.405 8.149
98 HH21 ARG 14 HH21 ARG 14 14.931 -3.297 4.897
99 HH22 ARG 14 HH22 ARG 14 14.752 -2.834 6.566
100 H CGU 15 HN CGU 15 18.596 -4.990 0.898
101 HA CGU 15 HA CGU 15 20.086 -7.091 -0.341
102 HB2 CGU 15 HB1 CGU 15 19.876 -5.612 -2.445
103 HB3 CGU 15 HB2 CGU 15 18.978 -4.492 -1.422
104 HG CGU 15 HG CGU 15 17.538 -6.503 -0.751
105 H LEU 16 HN LEU 16 21.071 -3.954 0.783
106 HA LEU 16 HA LEU 16 23.730 -4.478 -0.452
107 HB2 LEU 16 HB2 LEU 16 24.355 -2.191 0.138
108 HB3 LEU 16 HB1 LEU 16 22.933 -2.225 -0.915
109 HG LEU 16 HG LEU 16 21.624 -2.233 1.399
110 HD11 LEU 16 HD11 LEU 16 23.292 -0.386 2.649
111 HD12 LEU 16 HD12 LEU 16 24.392 -1.666 2.143
112 HD13 LEU 16 HD13 LEU 16 23.009 -2.046 3.171
113 HD21 LEU 16 HD21 LEU 16 21.475 0.211 1.253
114 HD22 LEU 16 HD22 LEU 16 21.498 -0.490 -0.366
115 HD23 LEU 16 HD23 LEU 16 22.953 0.258 0.291
116 H ALA 17 HN ALA 17 21.939 -4.275 2.506
117 HA ALA 17 HA ALA 17 23.933 -3.993 4.453
118 HB1 ALA 17 HB1 ALA 17 21.701 -6.059 4.486
119 HB2 ALA 17 HB2 ALA 17 21.526 -4.377 4.991
120 HB3 ALA 17 HB3 ALA 17 22.579 -5.463 5.894
121 H ASN 18 HN ASN 18 23.090 -6.851 2.483
122 HA ASN 18 HA ASN 18 25.202 -8.478 3.699
123 HB2 ASN 18 HB2 ASN 18 24.825 -9.945 1.652
124 HB3 ASN 18 HB1 ASN 18 23.417 -9.697 2.682
125 HD21 ASN 18 HD21 ASN 18 23.995 -6.802 1.090
126 HD22 ASN 18 HD22 ASN 18 22.938 -7.030 -0.246
127 H TYR 19 HN TYR 19 25.246 -5.900 1.476
128 HA TYR 19 HA TYR 19 28.048 -5.888 1.179
129 HB2 TYR 19 HB2 TYR 19 28.435 -6.632 -1.042
130 HB3 TYR 19 HB1 TYR 19 27.439 -7.887 -0.322
131 HD1 TYR 19 HD1 TYR 19 27.540 -5.097 -2.719
132 HD2 TYR 19 HD2 TYR 19 25.081 -8.142 -0.947
133 HE1 TYR 19 HE1 TYR 19 25.813 -4.720 -4.459
134 HE2 TYR 19 HE2 TYR 19 23.360 -7.761 -2.689
135 HN1 NH2 20 HN1 NH2 20 25.253 -5.054 -0.895
136 HN2 NH2 20 HN2 NH2 20 25.638 -3.379 -0.972
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 5.913 10.965 3.178
2 H2 GLY 1 HT2 GLY 1 6.662 10.932 1.648
3 H3 GLY 1 HT3 GLY 1 7.356 11.825 2.927
4 HA2 GLY 1 HA1 GLY 1 8.675 9.985 3.089
5 HA3 GLY 1 HA2 GLY 1 7.324 9.445 4.090
6 H GLU 2 HN GLU 2 5.390 8.955 2.283
7 HA GLU 2 HA GLU 2 5.656 6.396 1.325
8 HB2 GLU 2 HB2 GLU 2 3.905 6.991 -0.340
9 HB3 GLU 2 HB1 GLU 2 3.555 7.676 1.246
10 HG2 GLU 2 HG2 GLU 2 4.667 9.114 -1.188
11 HG3 GLU 2 HG1 GLU 2 3.156 9.436 -0.344
12 H CGU 3 HN CGU 3 6.472 9.342 -0.541
13 HA CGU 3 HA CGU 3 7.414 7.915 -2.839
14 HB2 CGU 3 HB1 CGU 3 8.872 10.292 -2.815
15 HB3 CGU 3 HB2 CGU 3 7.392 10.703 -1.910
16 HG CGU 3 HG CGU 3 5.990 10.165 -3.740
17 H CGU 4 HN CGU 4 9.257 9.539 -0.206
18 HA CGU 4 HA CGU 4 11.808 8.544 -0.918
19 HB2 CGU 4 HB1 CGU 4 10.588 9.156 1.788
20 HB3 CGU 4 HB2 CGU 4 11.729 10.136 0.868
21 HG CGU 4 HG CGU 4 12.285 7.456 2.194
22 H LEU 5 HN LEU 5 9.242 7.108 1.094
23 HA LEU 5 HA LEU 5 10.595 4.641 1.645
24 HB2 LEU 5 HB2 LEU 5 7.646 5.337 1.388
25 HB3 LEU 5 HB1 LEU 5 8.224 3.725 1.890
26 HG LEU 5 HG LEU 5 9.044 6.298 3.281
27 HD11 LEU 5 HD11 LEU 5 6.848 4.326 3.985
28 HD12 LEU 5 HD12 LEU 5 6.617 6.003 3.495
29 HD13 LEU 5 HD13 LEU 5 7.407 5.632 5.028
30 HD21 LEU 5 HD21 LEU 5 9.379 4.431 5.119
31 HD22 LEU 5 HD22 LEU 5 10.605 4.659 3.872
32 HD23 LEU 5 HD23 LEU 5 9.433 3.348 3.728
33 H ALA 6 HN ALA 6 8.341 5.608 -0.975
34 HA ALA 6 HA ALA 6 8.489 3.111 -2.411
35 HB1 ALA 6 HB1 ALA 6 6.818 4.984 -2.812
36 HB2 ALA 6 HB2 ALA 6 7.552 4.334 -4.278
37 HB3 ALA 6 HB3 ALA 6 8.110 5.872 -3.619
38 H CGU 7 HN CGU 7 10.473 6.035 -2.439
39 HA CGU 7 HA CGU 7 12.240 5.037 -4.576
40 HB2 CGU 7 HB1 CGU 7 13.484 7.088 -4.204
41 HB3 CGU 7 HB2 CGU 7 12.673 7.353 -2.664
42 HG CGU 7 HG CGU 7 10.483 7.355 -4.117
43 H LYS 8 HN LYS 8 11.775 3.702 -1.840
44 HA LYS 8 HA LYS 8 14.663 3.305 -1.216
45 HB2 LYS 8 HB2 LYS 8 13.557 4.893 0.420
46 HB3 LYS 8 HB1 LYS 8 12.539 3.543 0.914
47 HG2 LYS 8 HG2 LYS 8 14.233 3.107 2.374
48 HG3 LYS 8 HG1 LYS 8 14.979 2.359 0.970
49 HD2 LYS 8 HD2 LYS 8 15.379 5.242 1.826
50 HD3 LYS 8 HD1 LYS 8 16.524 3.954 2.087
51 HE2 LYS 8 HE2 LYS 8 17.380 4.874 0.147
52 HE3 LYS 8 HE1 LYS 8 16.321 3.641 -0.529
53 HZ1 LYS 8 HZ1 LYS 8 16.235 6.325 -1.064
54 HZ2 LYS 8 HZ2 LYS 8 14.929 6.105 0.008
55 HZ3 LYS 8 HZ3 LYS 8 15.016 5.203 -1.450
56 H ALA 9 HN ALA 9 11.490 2.113 -0.087
57 HA ALA 9 HA ALA 9 10.746 -0.102 0.196
58 HB1 ALA 9 HB1 ALA 9 11.474 -1.758 -1.446
59 HB2 ALA 9 HB2 ALA 9 12.855 -0.757 -1.892
60 HB3 ALA 9 HB3 ALA 9 11.219 -0.220 -2.271
61 HA PRO 10 HA PRO 10 14.137 -0.211 3.393
62 HB2 PRO 10 HB2 PRO 10 12.342 -1.988 4.818
63 HB3 PRO 10 HB1 PRO 10 12.797 -0.299 5.203
64 HG2 PRO 10 HG2 PRO 10 10.431 -1.343 3.791
65 HG3 PRO 10 HG1 PRO 10 10.653 0.182 4.663
66 HD2 PRO 10 HD2 PRO 10 10.468 0.123 1.982
67 HD3 PRO 10 HD1 PRO 10 11.556 1.271 2.798
68 H CGU 11 HN CGU 11 13.462 -2.429 1.122
69 HA CGU 11 HA CGU 11 14.763 -4.707 2.496
70 HB2 CGU 11 HB1 CGU 11 14.264 -5.143 -0.318
71 HB3 CGU 11 HB2 CGU 11 12.805 -4.509 0.438
72 HG CGU 11 HG CGU 11 12.903 -6.259 2.150
73 H PHE 12 HN PHE 12 15.290 -2.020 0.390
74 HA PHE 12 HA PHE 12 17.619 -2.931 -1.025
75 HB2 PHE 12 HB2 PHE 12 17.918 -0.672 -1.628
76 HB3 PHE 12 HB1 PHE 12 16.182 -0.741 -1.307
77 HD1 PHE 12 HD1 PHE 12 15.472 -0.308 1.189
78 HD2 PHE 12 HD2 PHE 12 19.215 0.931 -0.507
79 HE1 PHE 12 HE1 PHE 12 15.752 1.328 3.020
80 HE2 PHE 12 HE2 PHE 12 19.492 2.581 1.325
81 HZ PHE 12 HZ PHE 12 17.754 2.770 3.087
82 H ALA 13 HN ALA 13 17.157 -1.313 2.093
83 HA ALA 13 HA ALA 13 19.789 -0.820 2.867
84 HB1 ALA 13 HB1 ALA 13 18.059 -0.080 4.327
85 HB2 ALA 13 HB2 ALA 13 18.904 -1.332 5.238
86 HB3 ALA 13 HB3 ALA 13 17.366 -1.697 4.458
87 H ARG 14 HN ARG 14 17.911 -3.814 3.455
88 HA ARG 14 HA ARG 14 20.235 -5.245 4.390
89 HB2 ARG 14 HB2 ARG 14 17.625 -6.472 3.479
90 HB3 ARG 14 HB1 ARG 14 18.801 -7.144 4.601
91 HG2 ARG 14 HG2 ARG 14 18.370 -5.341 6.188
92 HG3 ARG 14 HG1 ARG 14 17.235 -4.589 5.053
93 HD2 ARG 14 HD2 ARG 14 16.833 -7.446 5.915
94 HD3 ARG 14 HD1 ARG 14 16.284 -6.122 6.947
95 HE ARG 14 HE ARG 14 15.344 -6.501 4.113
96 HH11 ARG 14 HH11 ARG 14 13.751 -7.430 6.515
97 HH12 ARG 14 HH12 ARG 14 12.637 -6.123 6.706
98 HH21 ARG 14 HH21 ARG 14 14.446 -3.950 4.711
99 HH22 ARG 14 HH22 ARG 14 13.030 -4.164 5.695
100 H CGU 15 HN CGU 15 18.518 -4.980 1.284
101 HA CGU 15 HA CGU 15 19.828 -7.141 -0.037
102 HB2 CGU 15 HB1 CGU 15 19.355 -5.788 -2.157
103 HB3 CGU 15 HB2 CGU 15 18.661 -4.560 -1.101
104 HG CGU 15 HG CGU 15 17.287 -6.515 -0.085
105 H LEU 16 HN LEU 16 20.996 -3.991 0.860
106 HA LEU 16 HA LEU 16 23.480 -4.632 -0.658
107 HB2 LEU 16 HB2 LEU 16 24.233 -2.348 -0.269
108 HB3 LEU 16 HB1 LEU 16 22.688 -2.371 -1.129
109 HG LEU 16 HG LEU 16 21.746 -2.257 1.391
110 HD11 LEU 16 HD11 LEU 16 24.144 -0.465 1.622
111 HD12 LEU 16 HD12 LEU 16 24.296 -2.160 2.078
112 HD13 LEU 16 HD13 LEU 16 23.124 -1.128 2.897
113 HD21 LEU 16 HD21 LEU 16 22.296 0.422 0.881
114 HD22 LEU 16 HD22 LEU 16 20.905 -0.477 0.281
115 HD23 LEU 16 HD23 LEU 16 22.351 -0.323 -0.716
116 H ALA 17 HN ALA 17 22.043 -4.243 2.470
117 HA ALA 17 HA ALA 17 24.257 -3.939 4.160
118 HB1 ALA 17 HB1 ALA 17 22.034 -5.971 4.578
119 HB2 ALA 17 HB2 ALA 17 21.887 -4.252 4.951
120 HB3 ALA 17 HB3 ALA 17 23.045 -5.250 5.828
121 H ASN 18 HN ASN 18 23.131 -6.832 2.409
122 HA ASN 18 HA ASN 18 25.320 -8.480 3.452
123 HB2 ASN 18 HB2 ASN 18 24.661 -9.992 1.482
124 HB3 ASN 18 HB1 ASN 18 23.432 -9.715 2.714
125 HD21 ASN 18 HD21 ASN 18 23.895 -6.890 0.885
126 HD22 ASN 18 HD22 ASN 18 22.599 -7.110 -0.220
127 H TYR 19 HN TYR 19 25.188 -5.987 1.139
128 HA TYR 19 HA TYR 19 27.933 -6.092 0.519
129 HB2 TYR 19 HB2 TYR 19 28.048 -6.920 -1.699
130 HB3 TYR 19 HB1 TYR 19 27.095 -8.114 -0.833
131 HD1 TYR 19 HD1 TYR 19 24.635 -8.201 -1.117
132 HD2 TYR 19 HD2 TYR 19 27.075 -5.511 -3.408
133 HE1 TYR 19 HE1 TYR 19 22.747 -7.818 -2.677
134 HE2 TYR 19 HE2 TYR 19 25.184 -5.131 -4.971
135 HN1 NH2 20 HN1 NH2 20 24.959 -5.223 -1.282
136 HN2 NH2 20 HN2 NH2 20 25.396 -3.569 -1.465
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 7.701 11.667 3.485
2 H2 GLY 1 HT2 GLY 1 6.692 10.952 2.305
3 H3 GLY 1 HT3 GLY 1 8.359 11.184 1.996
4 HA2 GLY 1 HA1 GLY 1 9.014 9.516 3.493
5 HA3 GLY 1 HA2 GLY 1 7.407 9.470 4.220
6 H GLU 2 HN GLU 2 5.619 9.020 2.465
7 HA GLU 2 HA GLU 2 5.749 6.423 1.523
8 HB2 GLU 2 HB2 GLU 2 4.274 7.730 -0.477
9 HB3 GLU 2 HB1 GLU 2 3.632 7.029 1.006
10 HG2 GLU 2 HG2 GLU 2 3.005 9.461 0.613
11 HG3 GLU 2 HG1 GLU 2 3.774 9.138 2.163
12 H CGU 3 HN CGU 3 6.242 9.243 -0.632
13 HA CGU 3 HA CGU 3 7.246 7.776 -2.820
14 HB2 CGU 3 HB1 CGU 3 8.015 10.615 -2.029
15 HB3 CGU 3 HB2 CGU 3 6.561 10.168 -2.962
16 HG CGU 3 HG CGU 3 9.412 9.502 -3.782
17 H CGU 4 HN CGU 4 9.061 9.401 -0.173
18 HA CGU 4 HA CGU 4 11.656 8.587 -1.021
19 HB2 CGU 4 HB1 CGU 4 10.484 9.164 1.708
20 HB3 CGU 4 HB2 CGU 4 11.616 10.142 0.779
21 HG CGU 4 HG CGU 4 12.192 7.467 2.107
22 H LEU 5 HN LEU 5 9.283 7.024 1.132
23 HA LEU 5 HA LEU 5 10.762 4.614 1.554
24 HB2 LEU 5 HB2 LEU 5 7.790 5.229 1.519
25 HB3 LEU 5 HB1 LEU 5 8.425 3.602 1.892
26 HG LEU 5 HG LEU 5 9.414 6.065 3.349
27 HD11 LEU 5 HD11 LEU 5 7.249 6.244 4.077
28 HD12 LEU 5 HD12 LEU 5 7.740 4.922 5.135
29 HD13 LEU 5 HD13 LEU 5 6.855 4.579 3.648
30 HD21 LEU 5 HD21 LEU 5 10.291 3.459 3.293
31 HD22 LEU 5 HD22 LEU 5 9.189 3.433 4.668
32 HD23 LEU 5 HD23 LEU 5 10.541 4.565 4.643
33 H ALA 6 HN ALA 6 8.395 5.596 -0.951
34 HA ALA 6 HA ALA 6 8.470 3.109 -2.412
35 HB1 ALA 6 HB1 ALA 6 6.749 4.752 -2.915
36 HB2 ALA 6 HB2 ALA 6 7.734 4.537 -4.362
37 HB3 ALA 6 HB3 ALA 6 7.965 5.955 -3.341
38 H CGU 7 HN CGU 7 10.438 6.064 -2.594
39 HA CGU 7 HA CGU 7 12.183 4.967 -4.694
40 HB2 CGU 7 HB1 CGU 7 13.489 7.011 -4.356
41 HB3 CGU 7 HB2 CGU 7 12.604 7.361 -2.875
42 HG CGU 7 HG CGU 7 10.485 7.360 -4.374
43 H LYS 8 HN LYS 8 11.748 3.703 -1.937
44 HA LYS 8 HA LYS 8 14.639 3.330 -1.308
45 HB2 LYS 8 HB2 LYS 8 13.521 4.918 0.316
46 HB3 LYS 8 HB1 LYS 8 12.501 3.568 0.807
47 HG2 LYS 8 HG2 LYS 8 14.185 3.138 2.281
48 HG3 LYS 8 HG1 LYS 8 14.940 2.385 0.885
49 HD2 LYS 8 HD2 LYS 8 15.343 5.262 1.758
50 HD3 LYS 8 HD1 LYS 8 16.487 3.968 1.997
51 HE2 LYS 8 HE2 LYS 8 17.328 4.942 0.068
52 HE3 LYS 8 HE1 LYS 8 16.301 3.683 -0.611
53 HZ1 LYS 8 HZ1 LYS 8 14.872 6.134 -0.066
54 HZ2 LYS 8 HZ2 LYS 8 14.932 5.207 -1.509
55 HZ3 LYS 8 HZ3 LYS 8 16.148 6.347 -1.170
56 H ALA 9 HN ALA 9 11.469 2.117 -0.189
57 HA ALA 9 HA ALA 9 10.743 -0.107 0.091
58 HB1 ALA 9 HB1 ALA 9 12.892 -0.991 -1.833
59 HB2 ALA 9 HB2 ALA 9 11.497 -0.085 -2.422
60 HB3 ALA 9 HB3 ALA 9 11.266 -1.639 -1.620
61 HA PRO 10 HA PRO 10 14.113 -0.174 3.318
62 HB2 PRO 10 HB2 PRO 10 12.320 -1.948 4.745
63 HB3 PRO 10 HB1 PRO 10 12.763 -0.254 5.122
64 HG2 PRO 10 HG2 PRO 10 10.409 -1.318 3.707
65 HG3 PRO 10 HG1 PRO 10 10.621 0.215 4.567
66 HD2 PRO 10 HD2 PRO 10 10.449 0.133 1.883
67 HD3 PRO 10 HD1 PRO 10 11.525 1.294 2.699
68 H CGU 11 HN CGU 11 13.448 -2.402 1.057
69 HA CGU 11 HA CGU 11 14.738 -4.681 2.431
70 HB2 CGU 11 HB1 CGU 11 14.276 -5.108 -0.387
71 HB3 CGU 11 HB2 CGU 11 12.810 -4.455 0.340
72 HG CGU 11 HG CGU 11 12.846 -6.205 2.049
73 H PHE 12 HN PHE 12 15.288 -1.990 0.326
74 HA PHE 12 HA PHE 12 17.637 -2.902 -1.055
75 HB2 PHE 12 HB2 PHE 12 17.949 -0.640 -1.650
76 HB3 PHE 12 HB1 PHE 12 16.209 -0.711 -1.358
77 HD1 PHE 12 HD1 PHE 12 19.245 0.935 -0.475
78 HD2 PHE 12 HD2 PHE 12 15.436 -0.257 1.100
79 HE1 PHE 12 HE1 PHE 12 19.485 2.577 1.368
80 HE2 PHE 12 HE2 PHE 12 15.674 1.380 2.936
81 HZ PHE 12 HZ PHE 12 17.691 2.796 3.068
82 H ALA 13 HN ALA 13 17.137 -1.271 2.053
83 HA ALA 13 HA ALA 13 19.758 -0.788 2.867
84 HB1 ALA 13 HB1 ALA 13 18.824 -1.335 5.227
85 HB2 ALA 13 HB2 ALA 13 17.294 -1.637 4.404
86 HB3 ALA 13 HB3 ALA 13 18.040 -0.042 4.321
87 H ARG 14 HN ARG 14 17.864 -3.780 3.416
88 HA ARG 14 HA ARG 14 20.170 -5.220 4.382
89 HB2 ARG 14 HB2 ARG 14 17.565 -6.430 3.429
90 HB3 ARG 14 HB1 ARG 14 18.729 -7.120 4.556
91 HG2 ARG 14 HG2 ARG 14 18.301 -5.310 6.146
92 HG3 ARG 14 HG1 ARG 14 17.157 -4.571 5.011
93 HD2 ARG 14 HD2 ARG 14 16.775 -7.434 5.844
94 HD3 ARG 14 HD1 ARG 14 16.249 -6.135 6.920
95 HE ARG 14 HE ARG 14 15.233 -6.492 4.110
96 HH11 ARG 14 HH11 ARG 14 14.433 -3.901 4.655
97 HH12 ARG 14 HH12 ARG 14 13.048 -4.036 5.695
98 HH21 ARG 14 HH21 ARG 14 13.702 -7.293 6.609
99 HH22 ARG 14 HH22 ARG 14 12.635 -5.945 6.793
100 H CGU 15 HN CGU 15 18.505 -4.944 1.246
101 HA CGU 15 HA CGU 15 19.829 -7.105 -0.058
102 HB2 CGU 15 HB1 CGU 15 19.406 -5.744 -2.183
103 HB3 CGU 15 HB2 CGU 15 18.705 -4.510 -1.137
104 HG CGU 15 HG CGU 15 17.274 -6.427 -0.156
105 H LEU 16 HN LEU 16 20.989 -3.952 0.855
106 HA LEU 16 HA LEU 16 23.497 -4.606 -0.612
107 HB2 LEU 16 HB2 LEU 16 24.247 -2.325 -0.221
108 HB3 LEU 16 HB1 LEU 16 22.713 -2.348 -1.103
109 HG LEU 16 HG LEU 16 21.728 -2.216 1.395
110 HD11 LEU 16 HD11 LEU 16 23.802 -2.194 2.596
111 HD12 LEU 16 HD12 LEU 16 23.198 -0.540 2.632
112 HD13 LEU 16 HD13 LEU 16 24.490 -0.984 1.516
113 HD21 LEU 16 HD21 LEU 16 20.942 -0.459 0.192
114 HD22 LEU 16 HD22 LEU 16 22.472 -0.239 -0.658
115 HD23 LEU 16 HD23 LEU 16 22.248 0.449 0.951
116 H ALA 17 HN ALA 17 22.011 -4.203 2.493
117 HA ALA 17 HA ALA 17 24.199 -3.899 4.216
118 HB1 ALA 17 HB1 ALA 17 21.823 -4.199 4.980
119 HB2 ALA 17 HB2 ALA 17 22.960 -5.212 5.867
120 HB3 ALA 17 HB3 ALA 17 21.958 -5.916 4.600
121 H ASN 18 HN ASN 18 23.084 -6.801 2.469
122 HA ASN 18 HA ASN 18 25.252 -8.450 3.550
123 HB2 ASN 18 HB2 ASN 18 24.617 -9.983 1.609
124 HB3 ASN 18 HB1 ASN 18 23.343 -9.655 2.779
125 HD21 ASN 18 HD21 ASN 18 23.874 -6.857 0.972
126 HD22 ASN 18 HD22 ASN 18 22.648 -7.087 -0.208
127 H TYR 19 HN TYR 19 25.166 -5.971 1.223
128 HA TYR 19 HA TYR 19 27.918 -6.088 0.642
129 HB2 TYR 19 HB2 TYR 19 28.054 -6.941 -1.569
130 HB3 TYR 19 HB1 TYR 19 27.090 -8.125 -0.698
131 HD1 TYR 19 HD1 TYR 19 27.066 -5.463 -3.233
132 HD2 TYR 19 HD2 TYR 19 24.666 -8.295 -1.076
133 HE1 TYR 19 HE1 TYR 19 25.196 -5.086 -4.818
134 HE2 TYR 19 HE2 TYR 19 22.797 -7.918 -2.661
135 HN1 NH2 20 HN1 NH2 20 24.958 -5.227 -1.180
136 HN2 NH2 20 HN2 NH2 20 25.403 -3.577 -1.381
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 3.900 8.423 1.873
2 H2 GLY 1 HT2 GLY 1 4.915 9.800 1.929
3 H3 GLY 1 HT3 GLY 1 3.983 9.376 3.285
4 HA2 GLY 1 HA1 GLY 1 6.467 8.800 3.320
5 HA3 GLY 1 HA2 GLY 1 5.314 7.564 3.827
6 H GLU 2 HN GLU 2 4.378 6.382 1.724
7 HA GLU 2 HA GLU 2 6.308 4.680 0.674
8 HB2 GLU 2 HB2 GLU 2 4.428 4.960 -1.407
9 HB3 GLU 2 HB1 GLU 2 4.395 3.774 -0.105
10 HG2 GLU 2 HG2 GLU 2 2.279 5.146 -0.330
11 HG3 GLU 2 HG1 GLU 2 3.014 5.208 1.268
12 H CGU 3 HN CGU 3 4.896 7.371 -1.207
13 HA CGU 3 HA CGU 3 6.603 7.328 -3.407
14 HB2 CGU 3 HB1 CGU 3 5.763 9.933 -2.102
15 HB3 CGU 3 HB2 CGU 3 4.572 8.862 -2.875
16 HG CGU 3 HG CGU 3 5.051 10.091 -4.721
17 H CGU 4 HN CGU 4 7.177 8.884 -0.269
18 HA CGU 4 HA CGU 4 9.801 9.879 -1.028
19 HB2 CGU 4 HB1 CGU 4 10.019 10.527 1.265
20 HB3 CGU 4 HB2 CGU 4 8.770 9.406 1.777
21 HG CGU 4 HG CGU 4 8.266 11.994 1.455
22 H LEU 5 HN LEU 5 8.554 7.131 0.874
23 HA LEU 5 HA LEU 5 11.166 6.016 1.434
24 HB2 LEU 5 HB2 LEU 5 8.367 4.842 1.455
25 HB3 LEU 5 HB1 LEU 5 9.813 3.911 1.930
26 HG LEU 5 HG LEU 5 9.171 6.599 3.171
27 HD11 LEU 5 HD11 LEU 5 8.381 3.880 4.258
28 HD12 LEU 5 HD12 LEU 5 7.255 4.982 3.463
29 HD13 LEU 5 HD13 LEU 5 8.033 5.454 4.974
30 HD21 LEU 5 HD21 LEU 5 10.536 5.570 5.030
31 HD22 LEU 5 HD22 LEU 5 11.437 5.798 3.531
32 HD23 LEU 5 HD23 LEU 5 10.847 4.195 3.970
33 H ALA 6 HN ALA 6 8.769 5.527 -1.161
34 HA ALA 6 HA ALA 6 9.871 3.243 -2.410
35 HB1 ALA 6 HB1 ALA 6 7.805 4.680 -3.073
36 HB2 ALA 6 HB2 ALA 6 8.725 3.918 -4.368
37 HB3 ALA 6 HB3 ALA 6 8.951 5.631 -4.017
38 H CGU 7 HN CGU 7 11.151 6.454 -2.180
39 HA CGU 7 HA CGU 7 13.096 6.182 -4.347
40 HB2 CGU 7 HB1 CGU 7 13.975 8.283 -3.584
41 HB3 CGU 7 HB2 CGU 7 13.262 8.075 -1.983
42 HG CGU 7 HG CGU 7 10.994 8.108 -3.084
43 H LYS 8 HN LYS 8 12.770 4.640 -1.460
44 HA LYS 8 HA LYS 8 15.618 3.863 -1.457
45 HB2 LYS 8 HB2 LYS 8 15.440 5.810 0.115
46 HB3 LYS 8 HB1 LYS 8 14.288 4.868 1.065
47 HG2 LYS 8 HG2 LYS 8 16.165 4.128 2.149
48 HG3 LYS 8 HG1 LYS 8 16.271 3.042 0.772
49 HD2 LYS 8 HD2 LYS 8 17.545 5.786 0.791
50 HD3 LYS 8 HD1 LYS 8 18.398 4.346 1.278
51 HE2 LYS 8 HE2 LYS 8 18.987 4.261 -0.923
52 HE3 LYS 8 HE1 LYS 8 17.405 3.505 -1.104
53 HZ1 LYS 8 HZ1 LYS 8 18.143 5.664 -2.461
54 HZ2 LYS 8 HZ2 LYS 8 17.466 6.423 -1.105
55 HZ3 LYS 8 HZ3 LYS 8 16.518 5.369 -2.048
56 H ALA 9 HN ALA 9 12.722 3.548 0.599
57 HA ALA 9 HA ALA 9 11.698 1.613 1.454
58 HB1 ALA 9 HB1 ALA 9 11.477 -0.252 -0.043
59 HB2 ALA 9 HB2 ALA 9 12.951 0.183 -0.907
60 HB3 ALA 9 HB3 ALA 9 11.510 1.186 -1.064
61 HA PRO 10 HA PRO 10 15.753 0.954 3.644
62 HB2 PRO 10 HB2 PRO 10 14.127 -0.225 5.730
63 HB3 PRO 10 HB1 PRO 10 15.011 1.331 5.737
64 HG2 PRO 10 HG2 PRO 10 12.174 0.777 5.196
65 HG3 PRO 10 HG1 PRO 10 12.959 2.274 5.721
66 HD2 PRO 10 HD2 PRO 10 11.957 1.994 3.229
67 HD3 PRO 10 HD1 PRO 10 13.422 2.957 3.539
68 H CGU 11 HN CGU 11 14.011 -1.179 1.955
69 HA CGU 11 HA CGU 11 15.005 -3.647 3.221
70 HB2 CGU 11 HB1 CGU 11 13.087 -2.948 1.007
71 HB3 CGU 11 HB2 CGU 11 12.842 -4.015 2.385
72 HG CGU 11 HG CGU 11 14.615 -4.623 0.002
73 H PHE 12 HN PHE 12 15.702 -1.301 0.753
74 HA PHE 12 HA PHE 12 17.468 -2.899 -0.890
75 HB2 PHE 12 HB2 PHE 12 18.072 -0.856 -1.899
76 HB3 PHE 12 HB1 PHE 12 16.466 -0.474 -1.273
77 HD1 PHE 12 HD1 PHE 12 19.881 0.517 -1.293
78 HD2 PHE 12 HD2 PHE 12 16.391 0.407 1.202
79 HE1 PHE 12 HE1 PHE 12 20.867 2.259 0.173
80 HE2 PHE 12 HE2 PHE 12 17.374 2.141 2.664
81 HZ PHE 12 HZ PHE 12 19.604 3.069 2.150
82 H ALA 13 HN ALA 13 17.828 -0.905 1.994
83 HA ALA 13 HA ALA 13 20.608 -0.900 2.347
84 HB1 ALA 13 HB1 ALA 13 19.495 0.362 3.959
85 HB2 ALA 13 HB2 ALA 13 19.853 -1.087 4.898
86 HB3 ALA 13 HB3 ALA 13 18.247 -0.858 4.204
87 H ARG 14 HN ARG 14 18.210 -3.325 3.404
88 HA ARG 14 HA ARG 14 20.229 -5.142 4.369
89 HB2 ARG 14 HB2 ARG 14 17.362 -5.819 3.666
90 HB3 ARG 14 HB1 ARG 14 18.432 -6.687 4.763
91 HG2 ARG 14 HG2 ARG 14 18.559 -4.681 6.204
92 HG3 ARG 14 HG1 ARG 14 17.428 -3.851 5.118
93 HD2 ARG 14 HD2 ARG 14 16.481 -6.499 5.983
94 HD3 ARG 14 HD1 ARG 14 16.700 -5.367 7.319
95 HE ARG 14 HE ARG 14 14.810 -5.012 5.046
96 HH11 ARG 14 HH11 ARG 14 14.034 -5.098 7.945
97 HH12 ARG 14 HH12 ARG 14 13.790 -3.422 8.296
98 HH21 ARG 14 HH21 ARG 14 15.455 -2.337 5.457
99 HH22 ARG 14 HH22 ARG 14 14.593 -1.865 6.893
100 H CGU 15 HN CGU 15 18.412 -4.751 1.329
101 HA CGU 15 HA CGU 15 19.197 -7.224 0.134
102 HB2 CGU 15 HB1 CGU 15 18.904 -5.928 -2.075
103 HB3 CGU 15 HB2 CGU 15 18.444 -4.557 -1.067
104 HG CGU 15 HG CGU 15 16.777 -6.123 0.066
105 H LEU 16 HN LEU 16 21.001 -4.290 0.666
106 HA LEU 16 HA LEU 16 23.203 -5.531 -0.922
107 HB2 LEU 16 HB2 LEU 16 24.402 -3.412 -0.772
108 HB3 LEU 16 HB1 LEU 16 22.824 -3.204 -1.545
109 HG LEU 16 HG LEU 16 22.081 -2.715 0.988
110 HD11 LEU 16 HD11 LEU 16 24.798 -2.994 1.336
111 HD12 LEU 16 HD12 LEU 16 23.738 -2.083 2.410
112 HD13 LEU 16 HD13 LEU 16 24.633 -1.250 1.141
113 HD21 LEU 16 HD21 LEU 16 22.402 -0.301 0.484
114 HD22 LEU 16 HD22 LEU 16 21.760 -1.186 -0.900
115 HD23 LEU 16 HD23 LEU 16 23.467 -0.740 -0.852
116 H ALA 17 HN ALA 17 22.092 -4.658 2.231
117 HA ALA 17 HA ALA 17 24.430 -4.654 3.771
118 HB1 ALA 17 HB1 ALA 17 22.129 -4.460 4.733
119 HB2 ALA 17 HB2 ALA 17 23.106 -5.653 5.587
120 HB3 ALA 17 HB3 ALA 17 21.883 -6.180 4.433
121 H ASN 18 HN ASN 18 22.661 -7.424 2.360
122 HA ASN 18 HA ASN 18 24.590 -9.365 3.391
123 HB2 ASN 18 HB2 ASN 18 23.572 -10.876 1.614
124 HB3 ASN 18 HB1 ASN 18 22.447 -10.246 2.812
125 HD21 ASN 18 HD21 ASN 18 23.284 -7.675 0.840
126 HD22 ASN 18 HD22 ASN 18 21.991 -7.783 -0.288
127 H TYR 19 HN TYR 19 24.764 -7.059 0.884
128 HA TYR 19 HA TYR 19 27.418 -7.686 0.178
129 HB2 TYR 19 HB2 TYR 19 27.273 -8.681 -1.972
130 HB3 TYR 19 HB1 TYR 19 26.181 -9.626 -0.972
131 HD1 TYR 19 HD1 TYR 19 23.729 -9.291 -1.134
132 HD2 TYR 19 HD2 TYR 19 26.460 -7.262 -3.752
133 HE1 TYR 19 HE1 TYR 19 21.847 -8.688 -2.628
134 HE2 TYR 19 HE2 TYR 19 24.575 -6.663 -5.250
135 HN1 NH2 20 HN1 NH2 20 24.533 -6.436 -1.539
136 HN2 NH2 20 HN2 NH2 20 25.243 -4.909 -1.897
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 9.730 8.841 3.370
2 H2 GLY 1 HT2 GLY 1 9.512 9.775 4.777
3 H3 GLY 1 HT3 GLY 1 9.762 10.540 3.281
4 HA2 GLY 1 HA1 GLY 1 7.340 9.721 4.484
5 HA3 GLY 1 HA2 GLY 1 7.562 10.634 2.988
6 H GLU 2 HN GLU 2 5.560 9.155 2.392
7 HA GLU 2 HA GLU 2 5.976 6.333 2.012
8 HB2 GLU 2 HB2 GLU 2 3.735 7.270 2.150
9 HB3 GLU 2 HB1 GLU 2 4.025 8.264 0.722
10 HG2 GLU 2 HG2 GLU 2 4.346 5.276 0.544
11 HG3 GLU 2 HG1 GLU 2 2.736 5.988 0.467
12 H CGU 3 HN CGU 3 5.687 8.833 -0.552
13 HA CGU 3 HA CGU 3 6.685 7.234 -2.644
14 HB2 CGU 3 HB1 CGU 3 6.897 10.248 -2.244
15 HB3 CGU 3 HB2 CGU 3 5.644 9.371 -3.167
16 HG CGU 3 HG CGU 3 8.618 9.369 -3.824
17 H CGU 4 HN CGU 4 8.336 9.339 -0.338
18 HA CGU 4 HA CGU 4 11.004 8.986 -1.281
19 HB2 CGU 4 HB1 CGU 4 9.834 9.499 1.467
20 HB3 CGU 4 HB2 CGU 4 10.567 10.670 0.380
21 HG CGU 4 HG CGU 4 12.729 9.273 0.620
22 H LEU 5 HN LEU 5 9.055 7.174 1.121
23 HA LEU 5 HA LEU 5 11.013 5.111 1.564
24 HB2 LEU 5 HB2 LEU 5 8.032 5.350 1.972
25 HB3 LEU 5 HB1 LEU 5 8.820 3.760 2.146
26 HG LEU 5 HG LEU 5 9.696 6.273 3.607
27 HD11 LEU 5 HD11 LEU 5 7.381 5.322 4.198
28 HD12 LEU 5 HD12 LEU 5 8.534 5.484 5.521
29 HD13 LEU 5 HD13 LEU 5 8.245 3.904 4.793
30 HD21 LEU 5 HD21 LEU 5 10.673 4.238 5.044
31 HD22 LEU 5 HD22 LEU 5 11.560 4.910 3.674
32 HD23 LEU 5 HD23 LEU 5 10.615 3.432 3.475
33 H ALA 6 HN ALA 6 8.289 5.493 -0.724
34 HA ALA 6 HA ALA 6 8.531 2.897 -1.939
35 HB1 ALA 6 HB1 ALA 6 7.241 3.811 -3.767
36 HB2 ALA 6 HB2 ALA 6 7.717 5.457 -3.351
37 HB3 ALA 6 HB3 ALA 6 6.639 4.555 -2.284
38 H CGU 7 HN CGU 7 10.123 6.006 -2.697
39 HA CGU 7 HA CGU 7 11.642 4.946 -4.937
40 HB2 CGU 7 HB1 CGU 7 13.025 7.008 -4.642
41 HB3 CGU 7 HB2 CGU 7 12.162 7.345 -3.143
42 HG CGU 7 HG CGU 7 10.011 7.223 -4.610
43 H LYS 8 HN LYS 8 11.782 4.437 -1.616
44 HA LYS 8 HA LYS 8 14.702 3.800 -1.638
45 HB2 LYS 8 HB2 LYS 8 13.909 5.271 0.186
46 HB3 LYS 8 HB1 LYS 8 12.771 4.016 0.683
47 HG2 LYS 8 HG2 LYS 8 14.505 3.394 2.055
48 HG3 LYS 8 HG1 LYS 8 15.030 2.545 0.609
49 HD2 LYS 8 HD2 LYS 8 15.859 5.381 1.282
50 HD3 LYS 8 HD1 LYS 8 16.822 3.979 1.668
51 HE2 LYS 8 HE2 LYS 8 16.058 4.979 -1.078
52 HE3 LYS 8 HE1 LYS 8 17.677 4.836 -0.396
53 HZ1 LYS 8 HZ1 LYS 8 15.849 2.547 -0.954
54 HZ2 LYS 8 HZ2 LYS 8 17.431 2.442 -0.338
55 HZ3 LYS 8 HZ3 LYS 8 17.167 3.010 -1.920
56 H ALA 9 HN ALA 9 11.640 2.420 -0.447
57 HA ALA 9 HA ALA 9 11.014 0.167 -0.203
58 HB1 ALA 9 HB1 ALA 9 11.561 -1.275 -1.962
59 HB2 ALA 9 HB2 ALA 9 13.196 -0.634 -2.112
60 HB3 ALA 9 HB3 ALA 9 11.827 0.298 -2.713
61 HA PRO 10 HA PRO 10 14.376 0.036 3.045
62 HB2 PRO 10 HB2 PRO 10 12.601 -1.809 4.398
63 HB3 PRO 10 HB1 PRO 10 13.014 -0.120 4.836
64 HG2 PRO 10 HG2 PRO 10 10.681 -1.176 3.382
65 HG3 PRO 10 HG1 PRO 10 10.865 0.330 4.295
66 HD2 PRO 10 HD2 PRO 10 10.695 0.331 1.605
67 HD3 PRO 10 HD1 PRO 10 11.734 1.493 2.464
68 H CGU 11 HN CGU 11 13.716 -2.062 0.682
69 HA CGU 11 HA CGU 11 14.893 -4.465 1.900
70 HB2 CGU 11 HB1 CGU 11 14.644 -4.833 -0.872
71 HB3 CGU 11 HB2 CGU 11 13.241 -3.863 -0.432
72 HG CGU 11 HG CGU 11 12.626 -5.486 1.293
73 H PHE 12 HN PHE 12 15.713 -1.667 -0.087
74 HA PHE 12 HA PHE 12 18.120 -2.730 -1.264
75 HB2 PHE 12 HB2 PHE 12 18.659 -0.482 -1.776
76 HB3 PHE 12 HB1 PHE 12 16.894 -0.462 -1.707
77 HD1 PHE 12 HD1 PHE 12 19.905 0.944 -0.365
78 HD2 PHE 12 HD2 PHE 12 15.812 0.069 0.579
79 HE1 PHE 12 HE1 PHE 12 19.993 2.545 1.528
80 HE2 PHE 12 HE2 PHE 12 15.898 1.662 2.465
81 HZ PHE 12 HZ PHE 12 17.979 2.900 2.934
82 H ALA 13 HN ALA 13 17.462 -1.065 1.798
83 HA ALA 13 HA ALA 13 20.014 -0.736 2.844
84 HB1 ALA 13 HB1 ALA 13 18.961 -0.400 4.862
85 HB2 ALA 13 HB2 ALA 13 17.962 -1.842 4.706
86 HB3 ALA 13 HB3 ALA 13 17.531 -0.375 3.833
87 H ARG 14 HN ARG 14 17.943 -3.635 3.365
88 HA ARG 14 HA ARG 14 20.169 -5.142 4.418
89 HB2 ARG 14 HB2 ARG 14 17.469 -6.176 3.526
90 HB3 ARG 14 HB1 ARG 14 18.621 -6.994 4.582
91 HG2 ARG 14 HG2 ARG 14 18.488 -4.995 6.118
92 HG3 ARG 14 HG1 ARG 14 17.141 -4.414 5.118
93 HD2 ARG 14 HD2 ARG 14 16.741 -7.201 5.825
94 HD3 ARG 14 HD1 ARG 14 17.001 -6.236 7.280
95 HE ARG 14 HE ARG 14 14.935 -5.133 6.865
96 HH11 ARG 14 HH11 ARG 14 14.757 -4.038 4.356
97 HH12 ARG 14 HH12 ARG 14 13.851 -5.162 3.395
98 HH21 ARG 14 HH21 ARG 14 14.311 -7.803 5.539
99 HH22 ARG 14 HH22 ARG 14 13.623 -7.273 4.042
100 H CGU 15 HN CGU 15 18.580 -4.895 1.252
101 HA CGU 15 HA CGU 15 19.774 -7.174 0.046
102 HB2 CGU 15 HB1 CGU 15 19.562 -5.821 -2.128
103 HB3 CGU 15 HB2 CGU 15 18.885 -4.534 -1.131
104 HG CGU 15 HG CGU 15 17.271 -6.319 -0.220
105 H LEU 16 HN LEU 16 21.157 -4.092 0.895
106 HA LEU 16 HA LEU 16 23.651 -5.002 -0.456
107 HB2 LEU 16 HB2 LEU 16 24.562 -2.772 -0.150
108 HB3 LEU 16 HB1 LEU 16 23.045 -2.708 -1.058
109 HG LEU 16 HG LEU 16 22.039 -2.403 1.418
110 HD11 LEU 16 HD11 LEU 16 23.660 -0.738 2.549
111 HD12 LEU 16 HD12 LEU 16 24.906 -1.472 1.542
112 HD13 LEU 16 HD13 LEU 16 24.022 -2.455 2.707
113 HD21 LEU 16 HD21 LEU 16 22.813 -0.646 -0.759
114 HD22 LEU 16 HD22 LEU 16 22.910 0.193 0.787
115 HD23 LEU 16 HD23 LEU 16 21.399 -0.562 0.289
116 H ALA 17 HN ALA 17 22.105 -4.358 2.587
117 HA ALA 17 HA ALA 17 24.278 -4.157 4.349
118 HB1 ALA 17 HB1 ALA 17 21.846 -4.247 5.040
119 HB2 ALA 17 HB2 ALA 17 22.905 -5.245 6.033
120 HB3 ALA 17 HB3 ALA 17 21.898 -5.993 4.795
121 H ASN 18 HN ASN 18 22.994 -7.021 2.652
122 HA ASN 18 HA ASN 18 24.987 -8.796 3.869
123 HB2 ASN 18 HB2 ASN 18 24.304 -10.343 1.950
124 HB3 ASN 18 HB1 ASN 18 23.025 -9.888 3.071
125 HD21 ASN 18 HD21 ASN 18 23.821 -7.202 1.190
126 HD22 ASN 18 HD22 ASN 18 22.611 -7.378 -0.016
127 H TYR 19 HN TYR 19 25.167 -6.399 1.460
128 HA TYR 19 HA TYR 19 27.921 -6.747 0.978
129 HB2 TYR 19 HB2 TYR 19 28.059 -7.694 -1.191
130 HB3 TYR 19 HB1 TYR 19 26.964 -8.754 -0.320
131 HD1 TYR 19 HD1 TYR 19 27.251 -6.188 -2.948
132 HD2 TYR 19 HD2 TYR 19 24.563 -8.744 -0.783
133 HE1 TYR 19 HE1 TYR 19 25.471 -5.730 -4.612
134 HE2 TYR 19 HE2 TYR 19 22.787 -8.282 -2.449
135 HN1 NH2 20 HN1 NH2 20 25.098 -5.719 -0.971
136 HN2 NH2 20 HN2 NH2 20 25.681 -4.119 -1.217
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 6.200 10.996 2.239
2 H2 GLY 1 HT2 GLY 1 7.762 11.221 1.569
3 H3 GLY 1 HT3 GLY 1 7.355 11.957 3.052
4 HA2 GLY 1 HA1 GLY 1 8.783 9.974 3.338
5 HA3 GLY 1 HA2 GLY 1 7.225 9.838 4.154
6 H GLU 2 HN GLU 2 5.450 8.904 2.678
7 HA GLU 2 HA GLU 2 5.874 6.253 2.020
8 HB2 GLU 2 HB2 GLU 2 4.055 7.140 0.060
9 HB3 GLU 2 HB1 GLU 2 3.660 6.502 1.653
10 HG2 GLU 2 HG2 GLU 2 2.649 8.769 1.156
11 HG3 GLU 2 HG1 GLU 2 3.624 8.719 2.618
12 H CGU 3 HN CGU 3 5.742 8.820 -0.476
13 HA CGU 3 HA CGU 3 6.777 7.237 -2.581
14 HB2 CGU 3 HB1 CGU 3 7.011 10.242 -2.146
15 HB3 CGU 3 HB2 CGU 3 5.688 9.399 -2.998
16 HG CGU 3 HG CGU 3 8.616 9.324 -3.818
17 H CGU 4 HN CGU 4 8.451 9.414 -0.302
18 HA CGU 4 HA CGU 4 11.091 9.064 -1.277
19 HB2 CGU 4 HB1 CGU 4 11.750 9.567 1.113
20 HB3 CGU 4 HB2 CGU 4 10.047 9.500 1.541
21 HG CGU 4 HG CGU 4 11.380 11.436 -0.382
22 H LEU 5 HN LEU 5 9.184 7.215 1.089
23 HA LEU 5 HA LEU 5 11.222 5.192 1.509
24 HB2 LEU 5 HB2 LEU 5 8.209 5.164 1.936
25 HB3 LEU 5 HB1 LEU 5 9.309 3.858 2.458
26 HG LEU 5 HG LEU 5 9.675 6.753 3.302
27 HD11 LEU 5 HD11 LEU 5 8.659 5.983 5.475
28 HD12 LEU 5 HD12 LEU 5 8.158 4.502 4.657
29 HD13 LEU 5 HD13 LEU 5 7.509 6.058 4.141
30 HD21 LEU 5 HD21 LEU 5 11.673 5.473 3.604
31 HD22 LEU 5 HD22 LEU 5 10.773 4.069 4.183
32 HD23 LEU 5 HD23 LEU 5 10.899 5.514 5.189
33 H ALA 6 HN ALA 6 8.359 5.529 -0.596
34 HA ALA 6 HA ALA 6 8.496 2.944 -1.824
35 HB1 ALA 6 HB1 ALA 6 6.690 4.798 -2.069
36 HB2 ALA 6 HB2 ALA 6 7.067 3.834 -3.497
37 HB3 ALA 6 HB3 ALA 6 7.738 5.456 -3.327
38 H CGU 7 HN CGU 7 10.187 5.980 -2.517
39 HA CGU 7 HA CGU 7 11.582 4.917 -4.856
40 HB2 CGU 7 HB1 CGU 7 12.953 7.002 -4.626
41 HB3 CGU 7 HB2 CGU 7 12.124 7.348 -3.111
42 HG CGU 7 HG CGU 7 9.937 7.168 -4.530
43 H LYS 8 HN LYS 8 11.725 4.075 -1.717
44 HA LYS 8 HA LYS 8 14.670 3.534 -1.790
45 HB2 LYS 8 HB2 LYS 8 14.034 5.149 -0.014
46 HB3 LYS 8 HB1 LYS 8 12.915 3.951 0.642
47 HG2 LYS 8 HG2 LYS 8 14.739 3.394 1.927
48 HG3 LYS 8 HG1 LYS 8 15.128 2.430 0.504
49 HD2 LYS 8 HD2 LYS 8 16.116 5.250 1.015
50 HD3 LYS 8 HD1 LYS 8 17.062 3.802 1.225
51 HE2 LYS 8 HE2 LYS 8 16.527 3.272 -1.230
52 HE3 LYS 8 HE1 LYS 8 16.008 4.956 -1.342
53 HZ1 LYS 8 HZ1 LYS 8 18.684 3.855 -0.961
54 HZ2 LYS 8 HZ2 LYS 8 18.327 5.301 -0.145
55 HZ3 LYS 8 HZ3 LYS 8 18.190 5.219 -1.838
56 H ALA 9 HN ALA 9 11.678 2.346 -0.237
57 HA ALA 9 HA ALA 9 11.009 0.129 0.197
58 HB1 ALA 9 HB1 ALA 9 12.935 -0.744 -1.965
59 HB2 ALA 9 HB2 ALA 9 11.417 0.058 -2.368
60 HB3 ALA 9 HB3 ALA 9 11.399 -1.481 -1.504
61 HA PRO 10 HA PRO 10 14.698 0.045 3.042
62 HB2 PRO 10 HB2 PRO 10 13.096 -1.782 4.612
63 HB3 PRO 10 HB1 PRO 10 13.551 -0.087 4.977
64 HG2 PRO 10 HG2 PRO 10 11.073 -1.165 3.805
65 HG3 PRO 10 HG1 PRO 10 11.352 0.353 4.670
66 HD2 PRO 10 HD2 PRO 10 10.891 0.324 2.018
67 HD3 PRO 10 HD1 PRO 10 12.030 1.488 2.738
68 H CGU 11 HN CGU 11 13.496 -2.280 0.966
69 HA CGU 11 HA CGU 11 14.900 -4.591 2.019
70 HB2 CGU 11 HB1 CGU 11 14.453 -4.752 -0.817
71 HB3 CGU 11 HB2 CGU 11 13.016 -4.064 -0.068
72 HG CGU 11 HG CGU 11 12.885 -5.949 1.487
73 H PHE 12 HN PHE 12 15.576 -1.766 0.075
74 HA PHE 12 HA PHE 12 17.932 -2.729 -1.275
75 HB2 PHE 12 HB2 PHE 12 18.333 -0.475 -1.820
76 HB3 PHE 12 HB1 PHE 12 16.588 -0.472 -1.554
77 HD1 PHE 12 HD1 PHE 12 15.749 0.068 0.823
78 HD2 PHE 12 HD2 PHE 12 19.734 0.915 -0.522
79 HE1 PHE 12 HE1 PHE 12 16.037 1.654 2.698
80 HE2 PHE 12 HE2 PHE 12 20.022 2.513 1.355
81 HZ PHE 12 HZ PHE 12 18.162 2.879 2.956
82 H ALA 13 HN ALA 13 17.388 -1.127 1.843
83 HA ALA 13 HA ALA 13 20.012 -0.822 2.754
84 HB1 ALA 13 HB1 ALA 13 17.461 -1.544 4.224
85 HB2 ALA 13 HB2 ALA 13 18.244 0.033 4.121
86 HB3 ALA 13 HB3 ALA 13 18.982 -1.256 5.071
87 H ARG 14 HN ARG 14 17.881 -3.672 3.117
88 HA ARG 14 HA ARG 14 19.997 -5.299 4.208
89 HB2 ARG 14 HB2 ARG 14 17.378 -6.247 3.031
90 HB3 ARG 14 HB1 ARG 14 18.407 -7.098 4.180
91 HG2 ARG 14 HG2 ARG 14 18.065 -5.289 5.823
92 HG3 ARG 14 HG1 ARG 14 17.008 -4.454 4.670
93 HD2 ARG 14 HD2 ARG 14 15.796 -5.861 6.403
94 HD3 ARG 14 HD1 ARG 14 15.400 -6.234 4.723
95 HE ARG 14 HE ARG 14 17.556 -7.855 5.924
96 HH11 ARG 14 HH11 ARG 14 15.991 -9.279 7.401
97 HH12 ARG 14 HH12 ARG 14 14.895 -10.178 6.413
98 HH21 ARG 14 HH21 ARG 14 15.412 -8.195 3.628
99 HH22 ARG 14 HH22 ARG 14 14.565 -9.565 4.266
100 H CGU 15 HN CGU 15 18.619 -4.835 0.960
101 HA CGU 15 HA CGU 15 19.870 -7.064 -0.302
102 HB2 CGU 15 HB1 CGU 15 19.764 -5.602 -2.406
103 HB3 CGU 15 HB2 CGU 15 19.081 -4.343 -1.378
104 HG CGU 15 HG CGU 15 17.428 -6.215 -0.607
105 H LEU 16 HN LEU 16 21.166 -4.046 0.808
106 HA LEU 16 HA LEU 16 23.765 -4.828 -0.423
107 HB2 LEU 16 HB2 LEU 16 24.589 -2.591 0.134
108 HB3 LEU 16 HB1 LEU 16 23.182 -2.524 -0.937
109 HG LEU 16 HG LEU 16 21.930 -2.447 1.468
110 HD11 LEU 16 HD11 LEU 16 24.685 -1.969 2.066
111 HD12 LEU 16 HD12 LEU 16 23.304 -1.900 3.159
112 HD13 LEU 16 HD13 LEU 16 23.808 -0.454 2.287
113 HD21 LEU 16 HD21 LEU 16 21.433 -0.855 -0.231
114 HD22 LEU 16 HD22 LEU 16 23.072 -0.204 -0.203
115 HD23 LEU 16 HD23 LEU 16 21.982 0.093 1.150
116 H ALA 17 HN ALA 17 22.011 -4.381 2.545
117 HA ALA 17 HA ALA 17 24.056 -4.250 4.461
118 HB1 ALA 17 HB1 ALA 17 21.658 -6.110 4.636
119 HB2 ALA 17 HB2 ALA 17 21.596 -4.384 5.003
120 HB3 ALA 17 HB3 ALA 17 22.587 -5.459 5.987
121 H ASN 18 HN ASN 18 22.931 -7.007 2.515
122 HA ASN 18 HA ASN 18 24.829 -8.851 3.779
123 HB2 ASN 18 HB2 ASN 18 24.302 -10.287 1.745
124 HB3 ASN 18 HB1 ASN 18 22.923 -9.867 2.757
125 HD21 ASN 18 HD21 ASN 18 23.922 -7.104 1.078
126 HD22 ASN 18 HD22 ASN 18 22.834 -7.215 -0.248
127 H TYR 19 HN TYR 19 25.172 -6.308 1.558
128 HA TYR 19 HA TYR 19 27.950 -6.562 1.280
129 HB2 TYR 19 HB2 TYR 19 28.335 -7.482 -0.840
130 HB3 TYR 19 HB1 TYR 19 27.076 -8.531 -0.210
131 HD1 TYR 19 HD1 TYR 19 27.869 -5.826 -2.573
132 HD2 TYR 19 HD2 TYR 19 24.781 -8.388 -1.044
133 HE1 TYR 19 HE1 TYR 19 26.392 -5.170 -4.452
134 HE2 TYR 19 HE2 TYR 19 23.304 -7.732 -2.925
135 HN1 NH2 20 HN1 NH2 20 25.264 -5.528 -0.861
136 HN2 NH2 20 HN2 NH2 20 25.808 -3.899 -0.974
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 5.635 9.231 5.143
2 H2 GLY 1 HT2 GLY 1 5.931 9.564 3.495
3 H3 GLY 1 HT3 GLY 1 6.777 10.411 4.711
4 HA2 GLY 1 HA1 GLY 1 8.409 8.916 4.532
5 HA3 GLY 1 HA2 GLY 1 7.291 7.759 5.257
6 H GLU 2 HN GLU 2 5.465 7.256 3.450
7 HA GLU 2 HA GLU 2 6.358 5.413 1.626
8 HB2 GLU 2 HB2 GLU 2 4.297 5.898 0.323
9 HB3 GLU 2 HB1 GLU 2 3.985 5.836 2.056
10 HG2 GLU 2 HG2 GLU 2 4.231 8.312 0.314
11 HG3 GLU 2 HG1 GLU 2 2.824 7.774 1.222
12 H CGU 3 HN CGU 3 5.958 8.869 0.942
13 HA CGU 3 HA CGU 3 6.710 8.953 -1.745
14 HB2 CGU 3 HB1 CGU 3 7.478 10.979 0.397
15 HB3 CGU 3 HB2 CGU 3 5.879 10.890 -0.382
16 HG CGU 3 HG CGU 3 7.155 12.608 -1.500
17 H CGU 4 HN CGU 4 8.848 9.001 1.103
18 HA CGU 4 HA CGU 4 11.229 8.863 -0.641
19 HB2 CGU 4 HB1 CGU 4 10.761 9.074 2.329
20 HB3 CGU 4 HB2 CGU 4 11.726 10.112 1.285
21 HG CGU 4 HG CGU 4 12.414 7.302 2.215
22 H LEU 5 HN LEU 5 9.393 6.866 1.640
23 HA LEU 5 HA LEU 5 11.035 4.549 1.504
24 HB2 LEU 5 HB2 LEU 5 8.050 4.806 1.949
25 HB3 LEU 5 HB1 LEU 5 8.970 3.300 2.192
26 HG LEU 5 HG LEU 5 9.759 5.887 3.557
27 HD11 LEU 5 HD11 LEU 5 8.160 3.765 4.955
28 HD12 LEU 5 HD12 LEU 5 7.312 4.982 4.003
29 HD13 LEU 5 HD13 LEU 5 8.335 5.474 5.352
30 HD21 LEU 5 HD21 LEU 5 10.132 3.049 4.513
31 HD22 LEU 5 HD22 LEU 5 11.062 4.484 4.939
32 HD23 LEU 5 HD23 LEU 5 11.246 3.759 3.344
33 H ALA 6 HN ALA 6 8.280 5.581 -0.575
34 HA ALA 6 HA ALA 6 8.086 3.234 -2.163
35 HB1 ALA 6 HB1 ALA 6 6.717 4.502 -3.452
36 HB2 ALA 6 HB2 ALA 6 8.000 5.655 -3.809
37 HB3 ALA 6 HB3 ALA 6 7.052 5.824 -2.337
38 H CGU 7 HN CGU 7 10.404 5.916 -2.425
39 HA CGU 7 HA CGU 7 11.810 4.508 -4.624
40 HB2 CGU 7 HB1 CGU 7 12.703 6.493 -5.170
41 HB3 CGU 7 HB2 CGU 7 13.265 6.767 -3.525
42 HG CGU 7 HG CGU 7 11.079 7.609 -2.878
43 H LYS 8 HN LYS 8 11.593 3.749 -1.651
44 HA LYS 8 HA LYS 8 14.522 3.280 -1.226
45 HB2 LYS 8 HB2 LYS 8 13.455 4.835 0.450
46 HB3 LYS 8 HB1 LYS 8 12.427 3.484 0.932
47 HG2 LYS 8 HG2 LYS 8 14.124 2.996 2.373
48 HG3 LYS 8 HG1 LYS 8 14.851 2.278 0.945
49 HD2 LYS 8 HD2 LYS 8 15.265 5.164 1.764
50 HD3 LYS 8 HD1 LYS 8 16.369 3.878 2.168
51 HE2 LYS 8 HE2 LYS 8 17.359 4.654 0.230
52 HE3 LYS 8 HE1 LYS 8 16.295 3.420 -0.442
53 HZ1 LYS 8 HZ1 LYS 8 14.986 4.966 -1.409
54 HZ2 LYS 8 HZ2 LYS 8 16.320 6.000 -1.214
55 HZ3 LYS 8 HZ3 LYS 8 15.053 6.026 -0.073
56 H ALA 9 HN ALA 9 11.372 2.029 -0.120
57 HA ALA 9 HA ALA 9 10.681 -0.197 0.221
58 HB1 ALA 9 HB1 ALA 9 12.640 -0.580 -2.066
59 HB2 ALA 9 HB2 ALA 9 10.885 -0.454 -2.178
60 HB3 ALA 9 HB3 ALA 9 11.621 -1.874 -1.434
61 HA PRO 10 HA PRO 10 14.179 -0.401 3.291
62 HB2 PRO 10 HB2 PRO 10 12.454 -2.249 4.713
63 HB3 PRO 10 HB1 PRO 10 12.908 -0.571 5.146
64 HG2 PRO 10 HG2 PRO 10 10.497 -1.586 3.792
65 HG3 PRO 10 HG1 PRO 10 10.741 -0.089 4.706
66 HD2 PRO 10 HD2 PRO 10 10.450 -0.064 2.028
67 HD3 PRO 10 HD1 PRO 10 11.546 1.075 2.846
68 H CGU 11 HN CGU 11 13.440 -2.514 0.957
69 HA CGU 11 HA CGU 11 14.744 -4.877 2.156
70 HB2 CGU 11 HB1 CGU 11 13.091 -4.325 -0.290
71 HB3 CGU 11 HB2 CGU 11 12.935 -5.628 0.881
72 HG CGU 11 HG CGU 11 15.116 -5.389 -1.209
73 H PHE 12 HN PHE 12 15.294 -2.064 0.244
74 HA PHE 12 HA PHE 12 17.616 -2.959 -1.222
75 HB2 PHE 12 HB2 PHE 12 17.919 -0.688 -1.787
76 HB3 PHE 12 HB1 PHE 12 16.181 -0.759 -1.493
77 HD1 PHE 12 HD1 PHE 12 15.415 -0.328 0.974
78 HD2 PHE 12 HD2 PHE 12 19.224 0.870 -0.601
79 HE1 PHE 12 HE1 PHE 12 15.668 1.283 2.830
80 HE2 PHE 12 HE2 PHE 12 19.473 2.496 1.257
81 HZ PHE 12 HZ PHE 12 17.688 2.695 2.972
82 H ALA 13 HN ALA 13 17.075 -1.327 1.878
83 HA ALA 13 HA ALA 13 19.665 -0.901 2.792
84 HB1 ALA 13 HB1 ALA 13 17.285 -0.583 3.943
85 HB2 ALA 13 HB2 ALA 13 18.740 -0.749 4.925
86 HB3 ALA 13 HB3 ALA 13 17.680 -2.137 4.678
87 H ARG 14 HN ARG 14 17.734 -3.889 3.017
88 HA ARG 14 HA ARG 14 19.909 -5.417 4.130
89 HB2 ARG 14 HB2 ARG 14 17.472 -6.548 2.739
90 HB3 ARG 14 HB1 ARG 14 18.478 -7.319 3.960
91 HG2 ARG 14 HG2 ARG 14 17.789 -5.672 5.620
92 HG3 ARG 14 HG1 ARG 14 16.829 -4.816 4.402
93 HD2 ARG 14 HD2 ARG 14 16.355 -7.736 5.020
94 HD3 ARG 14 HD1 ARG 14 15.564 -6.455 5.942
95 HE ARG 14 HE ARG 14 15.251 -6.717 2.961
96 HH11 ARG 14 HH11 ARG 14 13.139 -8.079 4.312
97 HH12 ARG 14 HH12 ARG 14 11.954 -6.856 4.609
98 HH21 ARG 14 HH21 ARG 14 14.176 -4.244 4.123
99 HH22 ARG 14 HH22 ARG 14 12.539 -4.689 4.508
100 H CGU 15 HN CGU 15 18.635 -4.829 0.862
101 HA CGU 15 HA CGU 15 20.096 -6.879 -0.465
102 HB2 CGU 15 HB1 CGU 15 19.988 -5.245 -2.485
103 HB3 CGU 15 HB2 CGU 15 19.023 -4.228 -1.416
104 HG CGU 15 HG CGU 15 17.630 -6.334 -0.942
105 H LEU 16 HN LEU 16 21.212 -3.701 0.623
106 HA LEU 16 HA LEU 16 23.836 -4.554 -0.499
107 HB2 LEU 16 HB2 LEU 16 24.713 -2.368 -0.368
108 HB3 LEU 16 HB1 LEU 16 23.155 -2.271 -1.181
109 HG LEU 16 HG LEU 16 23.418 -0.399 0.368
110 HD11 LEU 16 HD11 LEU 16 21.451 -2.373 1.510
111 HD12 LEU 16 HD12 LEU 16 21.170 -1.391 0.076
112 HD13 LEU 16 HD13 LEU 16 21.387 -0.621 1.647
113 HD21 LEU 16 HD21 LEU 16 24.191 -0.549 2.487
114 HD22 LEU 16 HD22 LEU 16 24.826 -2.108 1.968
115 HD23 LEU 16 HD23 LEU 16 23.285 -2.021 2.826
116 H ALA 17 HN ALA 17 22.078 -4.023 2.397
117 HA ALA 17 HA ALA 17 24.122 -3.748 4.312
118 HB1 ALA 17 HB1 ALA 17 22.693 -5.113 5.837
119 HB2 ALA 17 HB2 ALA 17 21.689 -5.560 4.462
120 HB3 ALA 17 HB3 ALA 17 21.759 -3.880 4.993
121 H ASN 18 HN ASN 18 23.032 -6.651 2.520
122 HA ASN 18 HA ASN 18 25.041 -8.331 3.846
123 HB2 ASN 18 HB2 ASN 18 24.516 -9.916 1.901
124 HB3 ASN 18 HB1 ASN 18 23.187 -9.537 2.992
125 HD21 ASN 18 HD21 ASN 18 23.876 -6.810 1.105
126 HD22 ASN 18 HD22 ASN 18 22.702 -7.063 -0.123
127 H TYR 19 HN TYR 19 25.244 -5.948 1.430
128 HA TYR 19 HA TYR 19 28.031 -6.217 1.081
129 HB2 TYR 19 HB2 TYR 19 28.288 -7.144 -1.094
130 HB3 TYR 19 HB1 TYR 19 27.222 -8.255 -0.252
131 HD1 TYR 19 HD1 TYR 19 27.469 -5.690 -2.877
132 HD2 TYR 19 HD2 TYR 19 24.827 -8.352 -0.784
133 HE1 TYR 19 HE1 TYR 19 25.721 -5.307 -4.595
134 HE2 TYR 19 HE2 TYR 19 23.083 -7.967 -2.504
135 HN1 NH2 20 HN1 NH2 20 25.283 -5.287 -1.021
136 HN2 NH2 20 HN2 NH2 20 25.823 -3.668 -1.238
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 5.932 10.649 2.625
2 H2 GLY 1 HT2 GLY 1 7.311 11.388 1.949
3 H3 GLY 1 HT3 GLY 1 6.936 11.633 3.587
4 HA2 GLY 1 HA1 GLY 1 8.803 10.003 3.104
5 HA3 GLY 1 HA2 GLY 1 7.527 9.444 4.187
6 H GLU 2 HN GLU 2 5.501 8.983 2.389
7 HA GLU 2 HA GLU 2 5.762 6.392 1.493
8 HB2 GLU 2 HB2 GLU 2 3.922 6.920 -0.087
9 HB3 GLU 2 HB1 GLU 2 3.643 7.634 1.499
10 HG2 GLU 2 HG2 GLU 2 4.498 9.013 -1.055
11 HG3 GLU 2 HG1 GLU 2 3.121 9.380 -0.023
12 H CGU 3 HN CGU 3 6.427 9.301 -0.506
13 HA CGU 3 HA CGU 3 7.301 7.797 -2.784
14 HB2 CGU 3 HB1 CGU 3 8.062 10.643 -2.006
15 HB3 CGU 3 HB2 CGU 3 6.626 10.180 -2.961
16 HG CGU 3 HG CGU 3 9.491 9.519 -3.729
17 H CGU 4 HN CGU 4 9.136 9.422 -0.153
18 HA CGU 4 HA CGU 4 11.720 8.574 -1.015
19 HB2 CGU 4 HB1 CGU 4 10.575 9.150 1.731
20 HB3 CGU 4 HB2 CGU 4 11.672 10.151 0.782
21 HG CGU 4 HG CGU 4 12.307 7.496 2.116
22 H LEU 5 HN LEU 5 9.285 7.059 1.094
23 HA LEU 5 HA LEU 5 10.715 4.619 1.567
24 HB2 LEU 5 HB2 LEU 5 7.736 5.221 1.410
25 HB3 LEU 5 HB1 LEU 5 8.397 3.646 1.923
26 HG LEU 5 HG LEU 5 9.196 6.260 3.240
27 HD11 LEU 5 HD11 LEU 5 6.646 5.042 3.326
28 HD12 LEU 5 HD12 LEU 5 7.263 6.306 4.386
29 HD13 LEU 5 HD13 LEU 5 7.441 4.612 4.839
30 HD21 LEU 5 HD21 LEU 5 9.839 4.706 5.076
31 HD22 LEU 5 HD22 LEU 5 10.704 4.348 3.583
32 HD23 LEU 5 HD23 LEU 5 9.342 3.341 4.075
33 H ALA 6 HN ALA 6 8.401 5.627 -0.968
34 HA ALA 6 HA ALA 6 8.461 3.163 -2.454
35 HB1 ALA 6 HB1 ALA 6 7.518 4.436 -4.271
36 HB2 ALA 6 HB2 ALA 6 8.174 5.944 -3.633
37 HB3 ALA 6 HB3 ALA 6 6.862 5.127 -2.786
38 H CGU 7 HN CGU 7 10.497 6.068 -2.536
39 HA CGU 7 HA CGU 7 12.239 4.985 -4.651
40 HB2 CGU 7 HB1 CGU 7 13.563 7.015 -4.269
41 HB3 CGU 7 HB2 CGU 7 12.649 7.358 -2.804
42 HG CGU 7 HG CGU 7 10.561 7.371 -4.348
43 H LYS 8 HN LYS 8 11.787 3.692 -1.901
44 HA LYS 8 HA LYS 8 14.675 3.302 -1.280
45 HB2 LYS 8 HB2 LYS 8 13.564 4.889 0.355
46 HB3 LYS 8 HB1 LYS 8 12.552 3.532 0.850
47 HG2 LYS 8 HG2 LYS 8 14.248 3.103 2.309
48 HG3 LYS 8 HG1 LYS 8 15.002 2.362 0.903
49 HD2 LYS 8 HD2 LYS 8 15.381 5.246 1.763
50 HD3 LYS 8 HD1 LYS 8 16.531 3.963 2.031
51 HE2 LYS 8 HE2 LYS 8 17.391 4.887 0.093
52 HE3 LYS 8 HE1 LYS 8 16.343 3.644 -0.583
53 HZ1 LYS 8 HZ1 LYS 8 14.936 6.108 -0.063
54 HZ2 LYS 8 HZ2 LYS 8 15.025 5.189 -1.511
55 HZ3 LYS 8 HZ3 LYS 8 16.240 6.321 -1.136
56 H ALA 9 HN ALA 9 11.513 2.096 -0.133
57 HA ALA 9 HA ALA 9 10.778 -0.126 0.139
58 HB1 ALA 9 HB1 ALA 9 12.337 -0.106 -2.325
59 HB2 ALA 9 HB2 ALA 9 10.901 -1.048 -1.931
60 HB3 ALA 9 HB3 ALA 9 12.499 -1.650 -1.489
61 HA PRO 10 HA PRO 10 14.178 -0.160 3.335
62 HB2 PRO 10 HB2 PRO 10 12.398 -1.908 4.807
63 HB3 PRO 10 HB1 PRO 10 12.850 -0.210 5.154
64 HG2 PRO 10 HG2 PRO 10 10.474 -1.289 3.787
65 HG3 PRO 10 HG1 PRO 10 10.700 0.256 4.622
66 HD2 PRO 10 HD2 PRO 10 10.492 0.134 1.940
67 HD3 PRO 10 HD1 PRO 10 11.576 1.308 2.725
68 H CGU 11 HN CGU 11 13.440 -2.427 1.119
69 HA CGU 11 HA CGU 11 14.743 -4.691 2.496
70 HB2 CGU 11 HB1 CGU 11 14.259 -5.125 -0.321
71 HB3 CGU 11 HB2 CGU 11 12.801 -4.473 0.421
72 HG CGU 11 HG CGU 11 12.841 -6.226 2.122
73 H PHE 12 HN PHE 12 15.271 -2.028 0.340
74 HA PHE 12 HA PHE 12 17.627 -2.931 -1.027
75 HB2 PHE 12 HB2 PHE 12 17.927 -0.672 -1.629
76 HB3 PHE 12 HB1 PHE 12 16.191 -0.735 -1.315
77 HD1 PHE 12 HD1 PHE 12 15.499 -0.338 1.210
78 HD2 PHE 12 HD2 PHE 12 19.198 0.969 -0.533
79 HE1 PHE 12 HE1 PHE 12 15.770 1.307 3.036
80 HE2 PHE 12 HE2 PHE 12 19.466 2.624 1.296
81 HZ PHE 12 HZ PHE 12 17.746 2.784 3.077
82 H ALA 13 HN ALA 13 17.056 -1.446 2.117
83 HA ALA 13 HA ALA 13 19.662 -0.884 2.971
84 HB1 ALA 13 HB1 ALA 13 17.450 -2.093 4.674
85 HB2 ALA 13 HB2 ALA 13 17.541 -0.387 4.236
86 HB3 ALA 13 HB3 ALA 13 18.797 -1.106 5.243
87 H ARG 14 HN ARG 14 17.835 -3.921 3.522
88 HA ARG 14 HA ARG 14 20.190 -5.322 4.410
89 HB2 ARG 14 HB2 ARG 14 17.551 -6.496 3.505
90 HB3 ARG 14 HB1 ARG 14 18.773 -7.281 4.505
91 HG2 ARG 14 HG2 ARG 14 18.510 -5.420 6.168
92 HG3 ARG 14 HG1 ARG 14 17.149 -4.821 5.191
93 HD2 ARG 14 HD2 ARG 14 17.156 -7.703 6.025
94 HD3 ARG 14 HD1 ARG 14 16.742 -6.486 7.232
95 HE ARG 14 HE ARG 14 15.285 -6.609 4.616
96 HH11 ARG 14 HH11 ARG 14 14.861 -4.657 6.988
97 HH12 ARG 14 HH12 ARG 14 13.412 -5.314 7.665
98 HH21 ARG 14 HH21 ARG 14 13.669 -8.287 5.920
99 HH22 ARG 14 HH22 ARG 14 12.733 -7.378 7.059
100 H CGU 15 HN CGU 15 18.498 -4.997 1.302
101 HA CGU 15 HA CGU 15 19.821 -7.117 -0.076
102 HB2 CGU 15 HB1 CGU 15 19.372 -5.705 -2.155
103 HB3 CGU 15 HB2 CGU 15 18.682 -4.498 -1.072
104 HG CGU 15 HG CGU 15 17.233 -6.398 -0.137
105 H LEU 16 HN LEU 16 20.964 -3.962 0.876
106 HA LEU 16 HA LEU 16 23.458 -4.565 -0.637
107 HB2 LEU 16 HB2 LEU 16 24.183 -2.280 -0.219
108 HB3 LEU 16 HB1 LEU 16 22.633 -2.305 -1.074
109 HG LEU 16 HG LEU 16 21.680 -2.234 1.431
110 HD11 LEU 16 HD11 LEU 16 23.088 -1.433 3.027
111 HD12 LEU 16 HD12 LEU 16 23.912 -0.359 1.898
112 HD13 LEU 16 HD13 LEU 16 24.357 -2.062 1.978
113 HD21 LEU 16 HD21 LEU 16 21.725 -0.507 -0.648
114 HD22 LEU 16 HD22 LEU 16 22.693 0.405 0.511
115 HD23 LEU 16 HD23 LEU 16 21.052 -0.089 0.927
116 H ALA 17 HN ALA 17 22.013 -4.200 2.501
117 HA ALA 17 HA ALA 17 24.227 -3.911 4.186
118 HB1 ALA 17 HB1 ALA 17 22.024 -5.964 4.601
119 HB2 ALA 17 HB2 ALA 17 21.848 -4.246 4.965
120 HB3 ALA 17 HB3 ALA 17 23.021 -5.219 5.850
121 H ASN 18 HN ASN 18 23.107 -6.807 2.419
122 HA ASN 18 HA ASN 18 25.302 -8.450 3.445
123 HB2 ASN 18 HB2 ASN 18 24.675 -9.955 1.480
124 HB3 ASN 18 HB1 ASN 18 23.403 -9.664 2.663
125 HD21 ASN 18 HD21 ASN 18 23.889 -6.829 0.904
126 HD22 ASN 18 HD22 ASN 18 22.660 -7.055 -0.273
127 H TYR 19 HN TYR 19 25.171 -5.933 1.151
128 HA TYR 19 HA TYR 19 27.924 -6.015 0.558
129 HB2 TYR 19 HB2 TYR 19 28.059 -6.831 -1.666
130 HB3 TYR 19 HB1 TYR 19 27.104 -8.034 -0.814
131 HD1 TYR 19 HD1 TYR 19 27.060 -5.338 -3.315
132 HD2 TYR 19 HD2 TYR 19 24.676 -8.195 -1.167
133 HE1 TYR 19 HE1 TYR 19 25.172 -4.940 -4.875
134 HE2 TYR 19 HE2 TYR 19 22.792 -7.793 -2.729
135 HN1 NH2 20 HN1 NH2 20 24.942 -5.136 -1.219
136 HN2 NH2 20 HN2 NH2 20 25.385 -3.484 -1.411
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 6.780 10.911 2.661
2 H2 GLY 1 HT2 GLY 1 8.417 11.184 2.248
3 H3 GLY 1 HT3 GLY 1 7.847 11.617 3.789
4 HA2 GLY 1 HA1 GLY 1 9.200 9.498 3.671
5 HA3 GLY 1 HA2 GLY 1 7.637 9.393 4.480
6 H GLU 2 HN GLU 2 5.773 8.918 2.880
7 HA GLU 2 HA GLU 2 5.855 6.376 1.846
8 HB2 GLU 2 HB2 GLU 2 4.251 7.750 -0.012
9 HB3 GLU 2 HB1 GLU 2 3.716 6.974 1.474
10 HG2 GLU 2 HG2 GLU 2 3.042 9.411 1.246
11 HG3 GLU 2 HG1 GLU 2 3.924 9.030 2.721
12 H CGU 3 HN CGU 3 6.207 9.221 -0.317
13 HA CGU 3 HA CGU 3 7.028 7.767 -2.586
14 HB2 CGU 3 HB1 CGU 3 8.470 10.145 -2.791
15 HB3 CGU 3 HB2 CGU 3 7.100 10.579 -1.734
16 HG CGU 3 HG CGU 3 5.502 10.009 -3.379
17 H CGU 4 HN CGU 4 9.154 9.462 -0.219
18 HA CGU 4 HA CGU 4 11.614 8.494 -1.198
19 HB2 CGU 4 HB1 CGU 4 11.210 8.566 1.766
20 HB3 CGU 4 HB2 CGU 4 10.988 10.071 0.875
21 HG CGU 4 HG CGU 4 13.321 9.748 1.684
22 H LEU 5 HN LEU 5 9.375 7.029 1.181
23 HA LEU 5 HA LEU 5 10.854 4.605 1.540
24 HB2 LEU 5 HB2 LEU 5 7.878 5.202 1.708
25 HB3 LEU 5 HB1 LEU 5 8.590 3.629 2.160
26 HG LEU 5 HG LEU 5 9.517 6.265 3.349
27 HD11 LEU 5 HD11 LEU 5 7.628 4.269 4.623
28 HD12 LEU 5 HD12 LEU 5 7.064 5.722 3.795
29 HD13 LEU 5 HD13 LEU 5 8.085 5.862 5.227
30 HD21 LEU 5 HD21 LEU 5 11.146 4.533 3.629
31 HD22 LEU 5 HD22 LEU 5 9.910 3.331 3.998
32 HD23 LEU 5 HD23 LEU 5 10.269 4.610 5.157
33 H ALA 6 HN ALA 6 8.268 5.534 -0.756
34 HA ALA 6 HA ALA 6 8.206 3.022 -2.173
35 HB1 ALA 6 HB1 ALA 6 7.789 5.652 -3.581
36 HB2 ALA 6 HB2 ALA 6 6.650 5.154 -2.331
37 HB3 ALA 6 HB3 ALA 6 6.889 4.144 -3.757
38 H CGU 7 HN CGU 7 10.147 5.960 -2.575
39 HA CGU 7 HA CGU 7 11.661 4.870 -4.849
40 HB2 CGU 7 HB1 CGU 7 12.914 6.940 -4.728
41 HB3 CGU 7 HB2 CGU 7 12.317 7.263 -3.104
42 HG CGU 7 HG CGU 7 9.949 7.193 -4.252
43 H LYS 8 HN LYS 8 11.547 3.704 -1.963
44 HA LYS 8 HA LYS 8 14.498 3.342 -1.726
45 HB2 LYS 8 HB2 LYS 8 13.587 4.988 -0.024
46 HB3 LYS 8 HB1 LYS 8 12.677 3.641 0.660
47 HG2 LYS 8 HG2 LYS 8 14.570 3.279 1.879
48 HG3 LYS 8 HG1 LYS 8 15.132 2.507 0.403
49 HD2 LYS 8 HD2 LYS 8 15.561 5.430 1.079
50 HD3 LYS 8 HD1 LYS 8 16.764 4.180 1.273
51 HE2 LYS 8 HE2 LYS 8 17.351 5.005 -0.809
52 HE3 LYS 8 HE1 LYS 8 16.262 3.701 -1.272
53 HZ1 LYS 8 HZ1 LYS 8 14.842 5.169 -2.165
54 HZ2 LYS 8 HZ2 LYS 8 16.020 6.372 -1.914
55 HZ3 LYS 8 HZ3 LYS 8 14.817 6.114 -0.742
56 H ALA 9 HN ALA 9 11.562 2.137 -0.072
57 HA ALA 9 HA ALA 9 10.959 -0.084 0.430
58 HB1 ALA 9 HB1 ALA 9 11.161 -0.128 -2.183
59 HB2 ALA 9 HB2 ALA 9 11.152 -1.664 -1.315
60 HB3 ALA 9 HB3 ALA 9 12.676 -0.982 -1.888
61 HA PRO 10 HA PRO 10 14.921 -0.085 2.870
62 HB2 PRO 10 HB2 PRO 10 13.546 -1.977 4.590
63 HB3 PRO 10 HB1 PRO 10 13.998 -0.277 4.928
64 HG2 PRO 10 HG2 PRO 10 11.429 -1.399 4.024
65 HG3 PRO 10 HG1 PRO 10 11.770 0.121 4.864
66 HD2 PRO 10 HD2 PRO 10 11.019 0.087 2.273
67 HD3 PRO 10 HD1 PRO 10 12.196 1.281 2.875
68 H CGU 11 HN CGU 11 13.264 -2.563 1.203
69 HA CGU 11 HA CGU 11 14.825 -4.853 1.814
70 HB2 CGU 11 HB1 CGU 11 13.311 -3.921 -0.639
71 HB3 CGU 11 HB2 CGU 11 12.864 -5.195 0.492
72 HG CGU 11 HG CGU 11 15.271 -5.317 -1.341
73 H PHE 12 HN PHE 12 15.403 -1.922 -0.028
74 HA PHE 12 HA PHE 12 17.751 -2.885 -1.452
75 HB2 PHE 12 HB2 PHE 12 17.962 -0.696 -2.225
76 HB3 PHE 12 HB1 PHE 12 16.251 -0.702 -1.794
77 HD1 PHE 12 HD1 PHE 12 15.686 -0.051 0.679
78 HD2 PHE 12 HD2 PHE 12 19.379 0.923 -1.276
79 HE1 PHE 12 HE1 PHE 12 16.101 1.716 2.356
80 HE2 PHE 12 HE2 PHE 12 19.792 2.704 0.402
81 HZ PHE 12 HZ PHE 12 18.142 3.097 2.217
82 H ALA 13 HN ALA 13 17.163 -1.156 1.576
83 HA ALA 13 HA ALA 13 19.805 -0.642 2.393
84 HB1 ALA 13 HB1 ALA 13 17.799 0.184 3.601
85 HB2 ALA 13 HB2 ALA 13 18.902 -0.651 4.694
86 HB3 ALA 13 HB3 ALA 13 17.443 -1.460 4.126
87 H ARG 14 HN ARG 14 17.760 -3.497 3.086
88 HA ARG 14 HA ARG 14 19.962 -4.948 4.251
89 HB2 ARG 14 HB2 ARG 14 17.347 -6.083 3.238
90 HB3 ARG 14 HB1 ARG 14 18.444 -6.812 4.411
91 HG2 ARG 14 HG2 ARG 14 18.120 -4.830 5.886
92 HG3 ARG 14 HG1 ARG 14 16.922 -4.212 4.732
93 HD2 ARG 14 HD2 ARG 14 15.533 -5.338 6.219
94 HD3 ARG 14 HD1 ARG 14 15.856 -6.617 5.047
95 HE ARG 14 HE ARG 14 17.878 -6.750 7.045
96 HH11 ARG 14 HH11 ARG 14 16.297 -6.482 9.215
97 HH12 ARG 14 HH12 ARG 14 15.360 -7.928 9.362
98 HH21 ARG 14 HH21 ARG 14 15.897 -8.891 6.096
99 HH22 ARG 14 HH22 ARG 14 15.135 -9.294 7.595
100 H CGU 15 HN CGU 15 18.511 -4.764 1.011
101 HA CGU 15 HA CGU 15 19.802 -7.026 -0.141
102 HB2 CGU 15 HB1 CGU 15 19.839 -5.493 -2.293
103 HB3 CGU 15 HB2 CGU 15 18.859 -4.416 -1.310
104 HG CGU 15 HG CGU 15 17.353 -6.422 -0.837
105 H LEU 16 HN LEU 16 21.083 -3.878 0.713
106 HA LEU 16 HA LEU 16 23.674 -4.799 -0.434
107 HB2 LEU 16 HB2 LEU 16 24.521 -2.536 -0.141
108 HB3 LEU 16 HB1 LEU 16 23.077 -2.554 -1.162
109 HG LEU 16 HG LEU 16 21.858 -2.168 1.190
110 HD11 LEU 16 HD11 LEU 16 24.721 -1.536 1.647
111 HD12 LEU 16 HD12 LEU 16 23.465 -1.974 2.805
112 HD13 LEU 16 HD13 LEU 16 23.571 -0.320 2.205
113 HD21 LEU 16 HD21 LEU 16 21.871 -0.701 -0.878
114 HD22 LEU 16 HD22 LEU 16 23.294 0.100 -0.210
115 HD23 LEU 16 HD23 LEU 16 21.755 0.175 0.648
116 H ALA 17 HN ALA 17 21.956 -4.090 2.491
117 HA ALA 17 HA ALA 17 24.032 -3.778 4.358
118 HB1 ALA 17 HB1 ALA 17 22.579 -4.746 6.017
119 HB2 ALA 17 HB2 ALA 17 21.687 -5.654 4.798
120 HB3 ALA 17 HB3 ALA 17 21.535 -3.897 4.880
121 H ASN 18 HN ASN 18 22.877 -6.723 2.703
122 HA ASN 18 HA ASN 18 24.825 -8.408 4.114
123 HB2 ASN 18 HB2 ASN 18 24.264 -10.057 2.245
124 HB3 ASN 18 HB1 ASN 18 22.923 -9.573 3.279
125 HD21 ASN 18 HD21 ASN 18 23.742 -6.955 1.317
126 HD22 ASN 18 HD22 ASN 18 22.601 -7.224 0.061
127 H TYR 19 HN TYR 19 25.081 -6.124 1.612
128 HA TYR 19 HA TYR 19 27.861 -6.432 1.281
129 HB2 TYR 19 HB2 TYR 19 28.120 -7.447 -0.857
130 HB3 TYR 19 HB1 TYR 19 27.047 -8.519 0.028
131 HD1 TYR 19 HD1 TYR 19 27.309 -6.063 -2.697
132 HD2 TYR 19 HD2 TYR 19 24.654 -8.620 -0.497
133 HE1 TYR 19 HE1 TYR 19 25.560 -5.733 -4.425
134 HE2 TYR 19 HE2 TYR 19 22.907 -8.291 -2.224
135 HN1 NH2 20 HN1 NH2 20 25.119 -5.564 -0.850
136 HN2 NH2 20 HN2 NH2 20 25.675 -3.961 -1.138
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 7.403 11.538 2.062
2 H2 GLY 1 HT2 GLY 1 6.466 11.620 3.480
3 H3 GLY 1 HT3 GLY 1 5.910 10.711 2.145
4 HA2 GLY 1 HA1 GLY 1 8.526 10.007 3.293
5 HA3 GLY 1 HA2 GLY 1 7.087 9.576 4.216
6 H GLU 2 HN GLU 2 5.267 8.779 2.465
7 HA GLU 2 HA GLU 2 5.851 6.181 1.711
8 HB2 GLU 2 HB2 GLU 2 4.129 7.090 -0.330
9 HB3 GLU 2 HB1 GLU 2 3.665 6.325 1.185
10 HG2 GLU 2 HG2 GLU 2 2.551 8.554 0.767
11 HG3 GLU 2 HG1 GLU 2 3.442 8.472 2.285
12 H CGU 3 HN CGU 3 5.816 8.869 -0.671
13 HA CGU 3 HA CGU 3 6.988 7.453 -2.793
14 HB2 CGU 3 HB1 CGU 3 8.096 10.022 -3.001
15 HB3 CGU 3 HB2 CGU 3 6.573 10.266 -2.109
16 HG CGU 3 HG CGU 3 5.276 9.322 -3.866
17 H CGU 4 HN CGU 4 8.678 9.553 -0.433
18 HA CGU 4 HA CGU 4 11.321 8.977 -1.184
19 HB2 CGU 4 HB1 CGU 4 11.946 9.611 1.075
20 HB3 CGU 4 HB2 CGU 4 10.321 9.299 1.664
21 HG CGU 4 HG CGU 4 11.139 11.758 1.036
22 H LEU 5 HN LEU 5 9.168 7.208 1.051
23 HA LEU 5 HA LEU 5 11.098 5.116 1.597
24 HB2 LEU 5 HB2 LEU 5 8.068 5.215 1.827
25 HB3 LEU 5 HB1 LEU 5 9.052 3.827 2.362
26 HG LEU 5 HG LEU 5 9.556 6.656 3.337
27 HD11 LEU 5 HD11 LEU 5 7.242 5.962 3.910
28 HD12 LEU 5 HD12 LEU 5 8.271 6.067 5.340
29 HD13 LEU 5 HD13 LEU 5 7.882 4.492 4.648
30 HD21 LEU 5 HD21 LEU 5 10.192 3.984 4.617
31 HD22 LEU 5 HD22 LEU 5 10.829 5.568 5.056
32 HD23 LEU 5 HD23 LEU 5 11.316 4.812 3.541
33 H ALA 6 HN ALA 6 8.398 5.515 -0.714
34 HA ALA 6 HA ALA 6 8.648 2.912 -1.926
35 HB1 ALA 6 HB1 ALA 6 6.695 4.029 -2.563
36 HB2 ALA 6 HB2 ALA 6 7.707 4.277 -3.988
37 HB3 ALA 6 HB3 ALA 6 7.531 5.562 -2.794
38 H CGU 7 HN CGU 7 10.285 6.002 -2.518
39 HA CGU 7 HA CGU 7 11.816 5.004 -4.799
40 HB2 CGU 7 HB1 CGU 7 13.069 7.100 -4.598
41 HB3 CGU 7 HB2 CGU 7 12.401 7.380 -2.993
42 HG CGU 7 HG CGU 7 10.082 7.257 -4.230
43 H LYS 8 HN LYS 8 11.797 4.089 -1.694
44 HA LYS 8 HA LYS 8 14.746 3.569 -1.612
45 HB2 LYS 8 HB2 LYS 8 14.013 5.170 0.147
46 HB3 LYS 8 HB1 LYS 8 12.876 3.958 0.738
47 HG2 LYS 8 HG2 LYS 8 14.642 3.383 2.094
48 HG3 LYS 8 HG1 LYS 8 15.112 2.455 0.675
49 HD2 LYS 8 HD2 LYS 8 16.041 5.271 1.310
50 HD3 LYS 8 HD1 LYS 8 16.998 3.827 1.490
51 HE2 LYS 8 HE2 LYS 8 16.621 3.380 -0.980
52 HE3 LYS 8 HE1 LYS 8 15.959 5.014 -1.076
53 HZ1 LYS 8 HZ1 LYS 8 18.699 4.221 -0.269
54 HZ2 LYS 8 HZ2 LYS 8 18.083 5.791 -0.048
55 HZ3 LYS 8 HZ3 LYS 8 18.245 5.152 -1.614
56 H ALA 9 HN ALA 9 11.677 2.393 -0.220
57 HA ALA 9 HA ALA 9 10.964 0.184 0.168
58 HB1 ALA 9 HB1 ALA 9 11.617 -1.509 -1.472
59 HB2 ALA 9 HB2 ALA 9 12.958 -0.502 -2.019
60 HB3 ALA 9 HB3 ALA 9 11.295 0.008 -2.312
61 HA PRO 10 HA PRO 10 14.515 0.016 3.184
62 HB2 PRO 10 HB2 PRO 10 12.796 -1.780 4.672
63 HB3 PRO 10 HB1 PRO 10 13.271 -0.097 5.063
64 HG2 PRO 10 HG2 PRO 10 10.830 -1.115 3.763
65 HG3 PRO 10 HG1 PRO 10 11.099 0.391 4.653
66 HD2 PRO 10 HD2 PRO 10 10.769 0.392 1.984
67 HD3 PRO 10 HD1 PRO 10 11.903 1.519 2.766
68 H CGU 11 HN CGU 11 13.515 -2.211 0.969
69 HA CGU 11 HA CGU 11 14.798 -4.573 2.129
70 HB2 CGU 11 HB1 CGU 11 14.432 -4.812 -0.698
71 HB3 CGU 11 HB2 CGU 11 12.992 -4.031 -0.052
72 HG CGU 11 HG CGU 11 12.700 -5.841 1.569
73 H PHE 12 HN PHE 12 15.511 -1.776 0.153
74 HA PHE 12 HA PHE 12 17.874 -2.743 -1.160
75 HB2 PHE 12 HB2 PHE 12 18.312 -0.482 -1.669
76 HB3 PHE 12 HB1 PHE 12 16.561 -0.476 -1.442
77 HD1 PHE 12 HD1 PHE 12 15.686 0.009 0.949
78 HD2 PHE 12 HD2 PHE 12 19.670 0.927 -0.352
79 HE1 PHE 12 HE1 PHE 12 15.939 1.569 2.849
80 HE2 PHE 12 HE2 PHE 12 19.925 2.499 1.550
81 HZ PHE 12 HZ PHE 12 18.048 2.817 3.143
82 H ALA 13 HN ALA 13 17.303 -1.219 1.989
83 HA ALA 13 HA ALA 13 19.907 -0.869 2.925
84 HB1 ALA 13 HB1 ALA 13 17.285 -1.491 4.231
85 HB2 ALA 13 HB2 ALA 13 18.345 -0.099 4.449
86 HB3 ALA 13 HB3 ALA 13 18.744 -1.638 5.212
87 H ARG 14 HN ARG 14 17.887 -3.805 3.447
88 HA ARG 14 HA ARG 14 20.144 -5.331 4.369
89 HB2 ARG 14 HB2 ARG 14 17.459 -6.355 3.416
90 HB3 ARG 14 HB1 ARG 14 18.625 -7.217 4.420
91 HG2 ARG 14 HG2 ARG 14 18.443 -5.409 6.120
92 HG3 ARG 14 HG1 ARG 14 17.181 -4.649 5.129
93 HD2 ARG 14 HD2 ARG 14 16.944 -7.536 5.998
94 HD3 ARG 14 HD1 ARG 14 16.428 -6.223 7.059
95 HE ARG 14 HE ARG 14 15.233 -5.694 4.580
96 HH11 ARG 14 HH11 ARG 14 14.307 -6.833 7.445
97 HH12 ARG 14 HH12 ARG 14 13.127 -7.959 6.874
98 HH21 ARG 14 HH21 ARG 14 14.142 -7.695 3.577
99 HH22 ARG 14 HH22 ARG 14 13.032 -8.452 4.681
100 H CGU 15 HN CGU 15 18.536 -4.934 1.217
101 HA CGU 15 HA CGU 15 19.779 -7.121 -0.120
102 HB2 CGU 15 HB1 CGU 15 19.530 -5.646 -2.211
103 HB3 CGU 15 HB2 CGU 15 18.826 -4.439 -1.140
104 HG CGU 15 HG CGU 15 17.249 -6.297 -0.341
105 H LEU 16 HN LEU 16 21.083 -4.049 0.877
106 HA LEU 16 HA LEU 16 23.596 -4.805 -0.536
107 HB2 LEU 16 HB2 LEU 16 24.433 -2.562 -0.078
108 HB3 LEU 16 HB1 LEU 16 22.928 -2.501 -1.008
109 HG LEU 16 HG LEU 16 21.874 -2.395 1.461
110 HD11 LEU 16 HD11 LEU 16 23.980 -0.529 2.140
111 HD12 LEU 16 HD12 LEU 16 24.638 -2.157 1.967
112 HD13 LEU 16 HD13 LEU 16 23.319 -1.854 3.098
113 HD21 LEU 16 HD21 LEU 16 22.259 0.216 1.175
114 HD22 LEU 16 HD22 LEU 16 21.241 -0.679 0.047
115 HD23 LEU 16 HD23 LEU 16 22.905 -0.283 -0.390
116 H ALA 17 HN ALA 17 22.059 -4.348 2.543
117 HA ALA 17 HA ALA 17 24.222 -4.171 4.311
118 HB1 ALA 17 HB1 ALA 17 21.767 -4.382 4.955
119 HB2 ALA 17 HB2 ALA 17 22.871 -5.332 5.946
120 HB3 ALA 17 HB3 ALA 17 21.922 -6.119 4.685
121 H ASN 18 HN ASN 18 23.015 -6.985 2.486
122 HA ASN 18 HA ASN 18 25.055 -8.761 3.618
123 HB2 ASN 18 HB2 ASN 18 24.410 -10.230 1.624
124 HB3 ASN 18 HB1 ASN 18 23.124 -9.867 2.772
125 HD21 ASN 18 HD21 ASN 18 23.856 -7.076 1.006
126 HD22 ASN 18 HD22 ASN 18 22.638 -7.224 -0.195
127 H TYR 19 HN TYR 19 25.167 -6.249 1.330
128 HA TYR 19 HA TYR 19 27.927 -6.501 0.826
129 HB2 TYR 19 HB2 TYR 19 28.090 -7.333 -1.382
130 HB3 TYR 19 HB1 TYR 19 27.007 -8.457 -0.580
131 HD1 TYR 19 HD1 TYR 19 27.282 -5.776 -3.083
132 HD2 TYR 19 HD2 TYR 19 24.596 -8.428 -1.031
133 HE1 TYR 19 HE1 TYR 19 25.499 -5.254 -4.730
134 HE2 TYR 19 HE2 TYR 19 22.821 -7.902 -2.678
135 HN1 NH2 20 HN1 NH2 20 25.075 -5.438 -1.061
136 HN2 NH2 20 HN2 NH2 20 25.614 -3.809 -1.208
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 5.502 10.695 2.005
2 H2 GLY 1 HT2 GLY 1 7.134 11.067 1.637
3 H3 GLY 1 HT3 GLY 1 6.433 11.637 3.082
4 HA2 GLY 1 HA1 GLY 1 7.935 9.713 3.434
5 HA3 GLY 1 HA2 GLY 1 6.281 9.431 3.977
6 H GLU 2 HN GLU 2 4.821 8.552 2.151
7 HA GLU 2 HA GLU 2 5.502 5.985 1.379
8 HB2 GLU 2 HB2 GLU 2 3.975 6.945 -0.784
9 HB3 GLU 2 HB1 GLU 2 3.366 6.161 0.670
10 HG2 GLU 2 HG2 GLU 2 2.316 8.412 0.177
11 HG3 GLU 2 HG1 GLU 2 3.041 8.288 1.775
12 H CGU 3 HN CGU 3 5.619 8.731 -0.918
13 HA CGU 3 HA CGU 3 7.078 7.376 -2.927
14 HB2 CGU 3 HB1 CGU 3 7.054 10.342 -2.241
15 HB3 CGU 3 HB2 CGU 3 5.960 9.510 -3.379
16 HG CGU 3 HG CGU 3 8.986 9.656 -3.654
17 H CGU 4 HN CGU 4 8.231 9.439 -0.255
18 HA CGU 4 HA CGU 4 11.012 9.285 -0.792
19 HB2 CGU 4 HB1 CGU 4 11.235 9.630 1.702
20 HB3 CGU 4 HB2 CGU 4 9.493 9.440 1.834
21 HG CGU 4 HG CGU 4 10.992 11.594 0.308
22 H LEU 5 HN LEU 5 8.841 7.165 1.061
23 HA LEU 5 HA LEU 5 10.907 5.218 1.687
24 HB2 LEU 5 HB2 LEU 5 7.869 5.076 1.663
25 HB3 LEU 5 HB1 LEU 5 8.910 3.725 2.184
26 HG LEU 5 HG LEU 5 9.136 6.501 3.381
27 HD11 LEU 5 HD11 LEU 5 7.742 5.675 5.238
28 HD12 LEU 5 HD12 LEU 5 7.492 4.154 4.383
29 HD13 LEU 5 HD13 LEU 5 6.834 5.651 3.727
30 HD21 LEU 5 HD21 LEU 5 11.046 5.019 3.745
31 HD22 LEU 5 HD22 LEU 5 9.976 3.719 4.269
32 HD23 LEU 5 HD23 LEU 5 10.145 5.174 5.251
33 H ALA 6 HN ALA 6 8.382 5.544 -0.827
34 HA ALA 6 HA ALA 6 8.876 3.051 -2.152
35 HB1 ALA 6 HB1 ALA 6 8.294 5.194 -4.035
36 HB2 ALA 6 HB2 ALA 6 7.267 5.318 -2.609
37 HB3 ALA 6 HB3 ALA 6 7.280 3.833 -3.556
38 H CGU 7 HN CGU 7 10.476 6.205 -2.397
39 HA CGU 7 HA CGU 7 12.237 5.415 -4.580
40 HB2 CGU 7 HB1 CGU 7 13.524 7.467 -3.894
41 HB3 CGU 7 HB2 CGU 7 12.432 7.643 -2.523
42 HG CGU 7 HG CGU 7 10.532 7.608 -4.305
43 H LYS 8 HN LYS 8 11.967 4.143 -1.617
44 HA LYS 8 HA LYS 8 14.890 3.575 -1.435
45 HB2 LYS 8 HB2 LYS 8 14.132 5.241 0.307
46 HB3 LYS 8 HB1 LYS 8 13.088 3.974 0.955
47 HG2 LYS 8 HG2 LYS 8 14.946 3.478 2.206
48 HG3 LYS 8 HG1 LYS 8 15.379 2.583 0.757
49 HD2 LYS 8 HD2 LYS 8 16.173 5.469 1.239
50 HD3 LYS 8 HD1 LYS 8 17.206 4.112 1.600
51 HE2 LYS 8 HE2 LYS 8 17.954 4.607 -0.530
52 HE3 LYS 8 HE1 LYS 8 16.680 3.454 -0.920
53 HZ1 LYS 8 HZ1 LYS 8 16.866 6.137 -1.692
54 HZ2 LYS 8 HZ2 LYS 8 15.545 6.015 -0.641
55 HZ3 LYS 8 HZ3 LYS 8 15.604 5.055 -2.043
56 H ALA 9 HN ALA 9 11.834 2.535 0.091
57 HA ALA 9 HA ALA 9 11.051 0.347 0.493
58 HB1 ALA 9 HB1 ALA 9 11.679 0.346 -2.121
59 HB2 ALA 9 HB2 ALA 9 11.192 -1.129 -1.287
60 HB3 ALA 9 HB3 ALA 9 12.902 -0.795 -1.564
61 HA PRO 10 HA PRO 10 14.766 0.147 3.325
62 HB2 PRO 10 HB2 PRO 10 13.055 -1.521 4.966
63 HB3 PRO 10 HB1 PRO 10 13.624 0.151 5.269
64 HG2 PRO 10 HG2 PRO 10 11.074 -0.800 4.139
65 HG3 PRO 10 HG1 PRO 10 11.457 0.725 4.953
66 HD2 PRO 10 HD2 PRO 10 10.981 0.640 2.307
67 HD3 PRO 10 HD1 PRO 10 12.202 1.744 2.983
68 H CGU 11 HN CGU 11 13.732 -2.042 1.179
69 HA CGU 11 HA CGU 11 14.968 -4.423 2.409
70 HB2 CGU 11 HB1 CGU 11 14.304 -4.823 -0.344
71 HB3 CGU 11 HB2 CGU 11 12.965 -3.950 0.395
72 HG CGU 11 HG CGU 11 12.758 -5.640 2.131
73 H PHE 12 HN PHE 12 15.612 -1.755 0.267
74 HA PHE 12 HA PHE 12 17.781 -2.935 -1.235
75 HB2 PHE 12 HB2 PHE 12 18.198 -0.741 -2.001
76 HB3 PHE 12 HB1 PHE 12 16.482 -0.670 -1.592
77 HD1 PHE 12 HD1 PHE 12 19.709 0.751 -0.975
78 HD2 PHE 12 HD2 PHE 12 15.880 0.038 0.829
79 HE1 PHE 12 HE1 PHE 12 20.197 2.465 0.751
80 HE2 PHE 12 HE2 PHE 12 16.368 1.745 2.550
81 HZ PHE 12 HZ PHE 12 18.517 2.956 2.509
82 H ALA 13 HN ALA 13 17.667 -0.960 1.722
83 HA ALA 13 HA ALA 13 20.386 -0.743 2.312
84 HB1 ALA 13 HB1 ALA 13 18.912 0.433 3.739
85 HB2 ALA 13 HB2 ALA 13 19.539 -0.850 4.772
86 HB3 ALA 13 HB3 ALA 13 17.933 -1.001 4.058
87 H ARG 14 HN ARG 14 18.141 -3.393 3.050
88 HA ARG 14 HA ARG 14 20.209 -5.001 4.292
89 HB2 ARG 14 HB2 ARG 14 17.498 -5.999 3.402
90 HB3 ARG 14 HB1 ARG 14 18.516 -6.606 4.703
91 HG2 ARG 14 HG2 ARG 14 18.180 -4.609 6.003
92 HG3 ARG 14 HG1 ARG 14 17.345 -3.811 4.663
93 HD2 ARG 14 HD2 ARG 14 16.110 -6.368 5.277
94 HD3 ARG 14 HD1 ARG 14 16.155 -5.326 6.701
95 HE ARG 14 HE ARG 14 15.263 -3.705 4.541
96 HH11 ARG 14 HH11 ARG 14 13.959 -6.425 3.986
97 HH12 ARG 14 HH12 ARG 14 12.429 -6.206 4.784
98 HH21 ARG 14 HH21 ARG 14 13.486 -3.444 6.562
99 HH22 ARG 14 HH22 ARG 14 12.164 -4.510 6.240
100 H CGU 15 HN CGU 15 18.612 -4.860 1.118
101 HA CGU 15 HA CGU 15 19.677 -7.294 0.068
102 HB2 CGU 15 HB1 CGU 15 19.405 -6.115 -2.192
103 HB3 CGU 15 HB2 CGU 15 18.837 -4.714 -1.284
104 HG CGU 15 HG CGU 15 17.226 -6.401 -0.128
105 H LEU 16 HN LEU 16 21.141 -4.210 0.682
106 HA LEU 16 HA LEU 16 23.588 -5.221 -0.687
107 HB2 LEU 16 HB2 LEU 16 24.534 -2.980 -0.456
108 HB3 LEU 16 HB1 LEU 16 23.022 -2.952 -1.374
109 HG LEU 16 HG LEU 16 22.038 -2.562 1.122
110 HD11 LEU 16 HD11 LEU 16 23.637 -0.773 2.095
111 HD12 LEU 16 HD12 LEU 16 24.876 -1.535 1.100
112 HD13 LEU 16 HD13 LEU 16 24.055 -2.465 2.353
113 HD21 LEU 16 HD21 LEU 16 21.473 -1.108 -0.689
114 HD22 LEU 16 HD22 LEU 16 23.138 -0.544 -0.842
115 HD23 LEU 16 HD23 LEU 16 22.173 -0.078 0.558
116 H ALA 17 HN ALA 17 22.124 -4.432 2.357
117 HA ALA 17 HA ALA 17 24.319 -4.186 4.081
118 HB1 ALA 17 HB1 ALA 17 21.962 -4.179 4.883
119 HB2 ALA 17 HB2 ALA 17 22.953 -5.305 5.807
120 HB3 ALA 17 HB3 ALA 17 21.861 -5.911 4.563
121 H ASN 18 HN ASN 18 22.943 -7.121 2.584
122 HA ASN 18 HA ASN 18 24.948 -8.864 3.812
123 HB2 ASN 18 HB2 ASN 18 24.207 -10.488 1.997
124 HB3 ASN 18 HB1 ASN 18 22.938 -9.941 3.089
125 HD21 ASN 18 HD21 ASN 18 23.727 -7.346 1.123
126 HD22 ASN 18 HD22 ASN 18 22.538 -7.576 -0.096
127 H TYR 19 HN TYR 19 25.101 -6.582 1.292
128 HA TYR 19 HA TYR 19 27.843 -6.949 0.793
129 HB2 TYR 19 HB2 TYR 19 27.986 -8.032 -1.296
130 HB3 TYR 19 HB1 TYR 19 26.853 -9.030 -0.397
131 HD1 TYR 19 HD1 TYR 19 24.419 -8.883 -0.848
132 HD2 TYR 19 HD2 TYR 19 27.285 -6.693 -3.179
133 HE1 TYR 19 HE1 TYR 19 22.684 -8.435 -2.560
134 HE2 TYR 19 HE2 TYR 19 25.549 -6.254 -4.895
135 HN1 NH2 20 HN1 NH2 20 25.007 -6.054 -1.209
136 HN2 NH2 20 HN2 NH2 20 25.567 -4.456 -1.518
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 10.011 8.699 3.343
2 H2 GLY 1 HT2 GLY 1 9.923 9.662 4.742
3 H3 GLY 1 HT3 GLY 1 10.136 10.392 3.223
4 HA2 GLY 1 HA1 GLY 1 7.740 9.710 4.568
5 HA3 GLY 1 HA2 GLY 1 7.935 10.623 3.066
6 H GLU 2 HN GLU 2 5.820 9.262 2.587
7 HA GLU 2 HA GLU 2 6.002 6.433 2.171
8 HB2 GLU 2 HB2 GLU 2 3.885 7.776 2.345
9 HB3 GLU 2 HB1 GLU 2 4.205 8.406 0.729
10 HG2 GLU 2 HG2 GLU 2 4.197 6.092 -0.164
11 HG3 GLU 2 HG1 GLU 2 3.838 5.480 1.451
12 H CGU 3 HN CGU 3 5.878 8.962 -0.374
13 HA CGU 3 HA CGU 3 6.719 7.253 -2.471
14 HB2 CGU 3 HB1 CGU 3 7.133 10.261 -2.205
15 HB3 CGU 3 HB2 CGU 3 5.710 9.461 -2.930
16 HG CGU 3 HG CGU 3 8.576 9.177 -3.920
17 H CGU 4 HN CGU 4 8.509 9.340 -0.249
18 HA CGU 4 HA CGU 4 11.130 8.935 -1.274
19 HB2 CGU 4 HB1 CGU 4 10.084 9.396 1.532
20 HB3 CGU 4 HB2 CGU 4 10.761 10.593 0.439
21 HG CGU 4 HG CGU 4 12.936 9.202 0.540
22 H LEU 5 HN LEU 5 9.247 7.102 1.171
23 HA LEU 5 HA LEU 5 11.202 4.993 1.434
24 HB2 LEU 5 HB2 LEU 5 8.262 5.265 2.081
25 HB3 LEU 5 HB1 LEU 5 9.057 3.673 2.187
26 HG LEU 5 HG LEU 5 10.127 6.152 3.571
27 HD11 LEU 5 HD11 LEU 5 7.942 5.728 4.512
28 HD12 LEU 5 HD12 LEU 5 9.141 5.097 5.641
29 HD13 LEU 5 HD13 LEU 5 8.256 3.994 4.584
30 HD21 LEU 5 HD21 LEU 5 11.814 4.464 3.328
31 HD22 LEU 5 HD22 LEU 5 10.676 3.178 3.738
32 HD23 LEU 5 HD23 LEU 5 11.211 4.310 4.978
33 H ALA 6 HN ALA 6 8.309 5.502 -0.601
34 HA ALA 6 HA ALA 6 8.306 2.952 -1.898
35 HB1 ALA 6 HB1 ALA 6 7.657 5.513 -3.360
36 HB2 ALA 6 HB2 ALA 6 6.608 4.926 -2.068
37 HB3 ALA 6 HB3 ALA 6 6.879 3.936 -3.502
38 H CGU 7 HN CGU 7 10.092 5.940 -2.660
39 HA CGU 7 HA CGU 7 11.432 4.723 -4.969
40 HB2 CGU 7 HB1 CGU 7 12.763 6.822 -4.971
41 HB3 CGU 7 HB2 CGU 7 12.035 7.277 -3.432
42 HG CGU 7 HG CGU 7 9.761 7.014 -4.674
43 H LYS 8 HN LYS 8 11.609 3.951 -1.873
44 HA LYS 8 HA LYS 8 14.579 3.542 -1.884
45 HB2 LYS 8 HB2 LYS 8 13.831 5.129 -0.119
46 HB3 LYS 8 HB1 LYS 8 12.767 3.874 0.519
47 HG2 LYS 8 HG2 LYS 8 14.592 3.365 1.813
48 HG3 LYS 8 HG1 LYS 8 15.074 2.478 0.372
49 HD2 LYS 8 HD2 LYS 8 15.845 5.352 0.938
50 HD3 LYS 8 HD1 LYS 8 16.879 3.980 1.234
51 HE2 LYS 8 HE2 LYS 8 16.550 3.371 -1.231
52 HE3 LYS 8 HE1 LYS 8 15.874 4.990 -1.419
53 HZ1 LYS 8 HZ1 LYS 8 18.386 4.867 0.017
54 HZ2 LYS 8 HZ2 LYS 8 17.877 5.949 -1.189
55 HZ3 LYS 8 HZ3 LYS 8 18.483 4.419 -1.614
56 H ALA 9 HN ALA 9 11.609 2.239 -0.379
57 HA ALA 9 HA ALA 9 11.024 0.002 0.068
58 HB1 ALA 9 HB1 ALA 9 12.937 -0.708 -2.174
59 HB2 ALA 9 HB2 ALA 9 11.311 -0.090 -2.470
60 HB3 ALA 9 HB3 ALA 9 11.532 -1.625 -1.627
61 HA PRO 10 HA PRO 10 14.742 0.008 2.865
62 HB2 PRO 10 HB2 PRO 10 13.223 -1.905 4.422
63 HB3 PRO 10 HB1 PRO 10 13.621 -0.203 4.815
64 HG2 PRO 10 HG2 PRO 10 11.170 -1.345 3.641
65 HG3 PRO 10 HG1 PRO 10 11.403 0.163 4.540
66 HD2 PRO 10 HD2 PRO 10 10.917 0.186 1.895
67 HD3 PRO 10 HD1 PRO 10 12.033 1.364 2.629
68 H CGU 11 HN CGU 11 13.383 -2.432 0.919
69 HA CGU 11 HA CGU 11 14.941 -4.666 1.814
70 HB2 CGU 11 HB1 CGU 11 14.491 -4.847 -0.998
71 HB3 CGU 11 HB2 CGU 11 13.053 -4.113 -0.293
72 HG CGU 11 HG CGU 11 12.811 -5.956 1.269
73 H PHE 12 HN PHE 12 15.554 -1.787 -0.108
74 HA PHE 12 HA PHE 12 17.939 -2.753 -1.435
75 HB2 PHE 12 HB2 PHE 12 18.298 -0.512 -2.047
76 HB3 PHE 12 HB1 PHE 12 16.554 -0.518 -1.773
77 HD1 PHE 12 HD1 PHE 12 19.708 0.900 -0.762
78 HD2 PHE 12 HD2 PHE 12 15.708 0.105 0.562
79 HE1 PHE 12 HE1 PHE 12 19.980 2.553 1.069
80 HE2 PHE 12 HE2 PHE 12 15.975 1.748 2.386
81 HZ PHE 12 HZ PHE 12 18.097 2.977 2.633
82 H ALA 13 HN ALA 13 17.302 -1.107 1.636
83 HA ALA 13 HA ALA 13 19.910 -0.734 2.591
84 HB1 ALA 13 HB1 ALA 13 17.451 -1.567 4.175
85 HB2 ALA 13 HB2 ALA 13 17.894 0.089 3.768
86 HB3 ALA 13 HB3 ALA 13 18.912 -0.852 4.857
87 H ARG 14 HN ARG 14 17.781 -3.576 3.105
88 HA ARG 14 HA ARG 14 19.902 -5.130 4.275
89 HB2 ARG 14 HB2 ARG 14 17.326 -6.181 3.086
90 HB3 ARG 14 HB1 ARG 14 18.350 -6.965 4.284
91 HG2 ARG 14 HG2 ARG 14 17.936 -5.099 5.849
92 HG3 ARG 14 HG1 ARG 14 16.868 -4.349 4.648
93 HD2 ARG 14 HD2 ARG 14 15.539 -5.619 6.281
94 HD3 ARG 14 HD1 ARG 14 15.428 -6.370 4.688
95 HE ARG 14 HE ARG 14 17.576 -7.631 6.014
96 HH11 ARG 14 HH11 ARG 14 16.143 -7.531 8.474
97 HH12 ARG 14 HH12 ARG 14 15.043 -8.862 8.389
98 HH21 ARG 14 HH21 ARG 14 15.334 -9.186 4.965
99 HH22 ARG 14 HH22 ARG 14 14.582 -9.799 6.395
100 H CGU 15 HN CGU 15 18.586 -4.794 0.992
101 HA CGU 15 HA CGU 15 19.885 -7.056 -0.159
102 HB2 CGU 15 HB1 CGU 15 19.811 -5.664 -2.323
103 HB3 CGU 15 HB2 CGU 15 19.030 -4.414 -1.357
104 HG CGU 15 HG CGU 15 17.409 -6.270 -0.595
105 H LEU 16 HN LEU 16 21.153 -3.949 0.798
106 HA LEU 16 HA LEU 16 23.755 -4.823 -0.371
107 HB2 LEU 16 HB2 LEU 16 24.605 -2.572 0.069
108 HB3 LEU 16 HB1 LEU 16 23.200 -2.547 -1.009
109 HG LEU 16 HG LEU 16 21.975 -2.332 1.426
110 HD11 LEU 16 HD11 LEU 16 24.286 -0.448 1.715
111 HD12 LEU 16 HD12 LEU 16 24.475 -2.107 2.279
112 HD13 LEU 16 HD13 LEU 16 23.204 -1.087 2.951
113 HD21 LEU 16 HD21 LEU 16 21.873 0.131 0.906
114 HD22 LEU 16 HD22 LEU 16 21.474 -0.908 -0.462
115 HD23 LEU 16 HD23 LEU 16 23.062 -0.147 -0.367
116 H ALA 17 HN ALA 17 21.991 -4.223 2.550
117 HA ALA 17 HA ALA 17 24.016 -4.008 4.481
118 HB1 ALA 17 HB1 ALA 17 21.537 -4.111 4.976
119 HB2 ALA 17 HB2 ALA 17 22.516 -5.111 6.046
120 HB3 ALA 17 HB3 ALA 17 21.616 -5.855 4.727
121 H ASN 18 HN ASN 18 22.873 -6.880 2.700
122 HA ASN 18 HA ASN 18 24.777 -8.643 4.066
123 HB2 ASN 18 HB2 ASN 18 24.245 -10.200 2.117
124 HB3 ASN 18 HB1 ASN 18 22.874 -9.733 3.120
125 HD21 ASN 18 HD21 ASN 18 23.780 -7.039 1.330
126 HD22 ASN 18 HD22 ASN 18 22.699 -7.237 0.009
127 H TYR 19 HN TYR 19 25.114 -6.249 1.674
128 HA TYR 19 HA TYR 19 27.897 -6.554 1.403
129 HB2 TYR 19 HB2 TYR 19 28.219 -7.481 -0.764
130 HB3 TYR 19 HB1 TYR 19 27.114 -8.585 0.038
131 HD1 TYR 19 HD1 TYR 19 24.707 -8.583 -0.528
132 HD2 TYR 19 HD2 TYR 19 27.505 -6.084 -2.613
133 HE1 TYR 19 HE1 TYR 19 23.019 -8.170 -2.295
134 HE2 TYR 19 HE2 TYR 19 25.816 -5.674 -4.385
135 HN1 NH2 20 HN1 NH2 20 25.227 -5.595 -0.783
136 HN2 NH2 20 HN2 NH2 20 25.792 -3.981 -0.981
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 6.700 10.870 2.645
2 H2 GLY 1 HT2 GLY 1 8.288 11.409 2.311
3 H3 GLY 1 HT3 GLY 1 7.620 11.642 3.854
4 HA2 GLY 1 HA1 GLY 1 9.297 9.724 3.487
5 HA3 GLY 1 HA2 GLY 1 7.863 9.454 4.474
6 H GLU 2 HN GLU 2 5.849 8.913 2.926
7 HA GLU 2 HA GLU 2 6.041 6.342 1.966
8 HB2 GLU 2 HB2 GLU 2 4.286 7.518 0.127
9 HB3 GLU 2 HB1 GLU 2 3.854 6.809 1.678
10 HG2 GLU 2 HG2 GLU 2 3.030 9.180 1.328
11 HG3 GLU 2 HG1 GLU 2 3.986 8.944 2.786
12 H CGU 3 HN CGU 3 6.155 9.142 -0.280
13 HA CGU 3 HA CGU 3 6.963 7.669 -2.536
14 HB2 CGU 3 HB1 CGU 3 7.753 10.537 -1.884
15 HB3 CGU 3 HB2 CGU 3 6.224 10.036 -2.660
16 HG CGU 3 HG CGU 3 8.992 9.395 -3.740
17 H CGU 4 HN CGU 4 9.064 9.383 -0.162
18 HA CGU 4 HA CGU 4 11.534 8.542 -1.313
19 HB2 CGU 4 HB1 CGU 4 10.745 9.186 1.540
20 HB3 CGU 4 HB2 CGU 4 11.681 10.179 0.423
21 HG CGU 4 HG CGU 4 12.550 7.583 1.742
22 H LEU 5 HN LEU 5 9.425 7.053 1.144
23 HA LEU 5 HA LEU 5 10.962 4.663 1.496
24 HB2 LEU 5 HB2 LEU 5 7.973 5.184 1.699
25 HB3 LEU 5 HB1 LEU 5 8.742 3.647 2.177
26 HG LEU 5 HG LEU 5 9.613 6.334 3.287
27 HD11 LEU 5 HD11 LEU 5 7.269 6.009 3.884
28 HD12 LEU 5 HD12 LEU 5 8.277 5.705 5.298
29 HD13 LEU 5 HD13 LEU 5 7.600 4.353 4.392
30 HD21 LEU 5 HD21 LEU 5 10.585 3.643 3.454
31 HD22 LEU 5 HD22 LEU 5 9.963 4.099 5.038
32 HD23 LEU 5 HD23 LEU 5 11.209 5.078 4.266
33 H ALA 6 HN ALA 6 8.336 5.547 -0.767
34 HA ALA 6 HA ALA 6 8.259 3.032 -2.170
35 HB1 ALA 6 HB1 ALA 6 6.940 4.150 -3.753
36 HB2 ALA 6 HB2 ALA 6 7.852 5.651 -3.600
37 HB3 ALA 6 HB3 ALA 6 6.716 5.176 -2.338
38 H CGU 7 HN CGU 7 10.194 5.977 -2.631
39 HA CGU 7 HA CGU 7 11.719 4.824 -4.867
40 HB2 CGU 7 HB1 CGU 7 13.026 6.888 -4.738
41 HB3 CGU 7 HB2 CGU 7 12.314 7.274 -3.176
42 HG CGU 7 HG CGU 7 10.036 7.204 -4.429
43 H LYS 8 HN LYS 8 11.594 3.654 -2.023
44 HA LYS 8 HA LYS 8 14.541 3.314 -1.718
45 HB2 LYS 8 HB2 LYS 8 13.610 4.962 -0.034
46 HB3 LYS 8 HB1 LYS 8 12.671 3.624 0.628
47 HG2 LYS 8 HG2 LYS 8 14.529 3.251 1.898
48 HG3 LYS 8 HG1 LYS 8 15.120 2.465 0.440
49 HD2 LYS 8 HD2 LYS 8 15.563 5.386 1.122
50 HD3 LYS 8 HD1 LYS 8 16.748 4.124 1.341
51 HE2 LYS 8 HE2 LYS 8 17.395 4.936 -0.726
52 HE3 LYS 8 HE1 LYS 8 16.291 3.654 -1.217
53 HZ1 LYS 8 HZ1 LYS 8 14.846 5.141 -2.061
54 HZ2 LYS 8 HZ2 LYS 8 16.110 6.274 -1.935
55 HZ3 LYS 8 HZ3 LYS 8 14.951 6.161 -0.690
56 H ALA 9 HN ALA 9 11.550 2.127 -0.157
57 HA ALA 9 HA ALA 9 10.921 -0.086 0.343
58 HB1 ALA 9 HB1 ALA 9 11.359 -1.770 -1.350
59 HB2 ALA 9 HB2 ALA 9 12.687 -0.822 -2.016
60 HB3 ALA 9 HB3 ALA 9 11.028 -0.252 -2.184
61 HA PRO 10 HA PRO 10 14.794 -0.100 2.927
62 HB2 PRO 10 HB2 PRO 10 13.332 -1.955 4.613
63 HB3 PRO 10 HB1 PRO 10 13.792 -0.256 4.948
64 HG2 PRO 10 HG2 PRO 10 11.246 -1.361 3.953
65 HG3 PRO 10 HG1 PRO 10 11.570 0.162 4.796
66 HD2 PRO 10 HD2 PRO 10 10.923 0.121 2.180
67 HD3 PRO 10 HD1 PRO 10 12.096 1.299 2.817
68 H CGU 11 HN CGU 11 13.216 -2.580 1.194
69 HA CGU 11 HA CGU 11 14.781 -4.843 1.956
70 HB2 CGU 11 HB1 CGU 11 13.225 -4.060 -0.522
71 HB3 CGU 11 HB2 CGU 11 12.824 -5.294 0.669
72 HG CGU 11 HG CGU 11 15.169 -5.420 -1.246
73 H PHE 12 HN PHE 12 15.322 -1.968 0.038
74 HA PHE 12 HA PHE 12 17.653 -2.938 -1.403
75 HB2 PHE 12 HB2 PHE 12 17.861 -0.746 -2.178
76 HB3 PHE 12 HB1 PHE 12 16.154 -0.749 -1.728
77 HD1 PHE 12 HD1 PHE 12 15.649 -0.149 0.788
78 HD2 PHE 12 HD2 PHE 12 19.262 0.907 -1.273
79 HE1 PHE 12 HE1 PHE 12 16.087 1.607 2.471
80 HE2 PHE 12 HE2 PHE 12 19.698 2.677 0.412
81 HZ PHE 12 HZ PHE 12 18.101 3.020 2.283
82 H ALA 13 HN ALA 13 17.071 -1.278 1.660
83 HA ALA 13 HA ALA 13 19.731 -0.748 2.450
84 HB1 ALA 13 HB1 ALA 13 17.316 -1.512 4.132
85 HB2 ALA 13 HB2 ALA 13 17.840 0.121 3.726
86 HB3 ALA 13 HB3 ALA 13 18.825 -0.881 4.790
87 H ARG 14 HN ARG 14 17.683 -3.617 3.102
88 HA ARG 14 HA ARG 14 19.860 -5.090 4.273
89 HB2 ARG 14 HB2 ARG 14 17.305 -6.234 3.119
90 HB3 ARG 14 HB1 ARG 14 18.367 -6.978 4.310
91 HG2 ARG 14 HG2 ARG 14 17.919 -5.099 5.860
92 HG3 ARG 14 HG1 ARG 14 16.797 -4.412 4.669
93 HD2 ARG 14 HD2 ARG 14 15.477 -6.539 4.758
94 HD3 ARG 14 HD1 ARG 14 16.544 -7.110 6.044
95 HE ARG 14 HE ARG 14 14.418 -5.124 6.339
96 HH11 ARG 14 HH11 ARG 14 16.814 -3.724 7.332
97 HH12 ARG 14 HH12 ARG 14 16.883 -4.217 8.988
98 HH21 ARG 14 HH21 ARG 14 14.746 -6.888 8.528
99 HH22 ARG 14 HH22 ARG 14 15.706 -6.009 9.665
100 H CGU 15 HN CGU 15 18.483 -4.823 1.002
101 HA CGU 15 HA CGU 15 19.871 -7.011 -0.187
102 HB2 CGU 15 HB1 CGU 15 19.829 -5.477 -2.312
103 HB3 CGU 15 HB2 CGU 15 18.852 -4.407 -1.312
104 HG CGU 15 HG CGU 15 17.386 -6.427 -0.801
105 H LEU 16 HN LEU 16 21.038 -3.853 0.777
106 HA LEU 16 HA LEU 16 23.659 -4.646 -0.408
107 HB2 LEU 16 HB2 LEU 16 24.442 -2.374 0.008
108 HB3 LEU 16 HB1 LEU 16 23.005 -2.384 -1.026
109 HG LEU 16 HG LEU 16 21.800 -2.174 1.385
110 HD11 LEU 16 HD11 LEU 16 23.901 -2.120 2.645
111 HD12 LEU 16 HD12 LEU 16 23.108 -0.550 2.746
112 HD13 LEU 16 HD13 LEU 16 24.479 -0.776 1.661
113 HD21 LEU 16 HD21 LEU 16 21.639 0.240 0.934
114 HD22 LEU 16 HD22 LEU 16 21.502 -0.678 -0.565
115 HD23 LEU 16 HD23 LEU 16 23.015 0.134 -0.163
116 H ALA 17 HN ALA 17 21.903 -4.160 2.524
117 HA ALA 17 HA ALA 17 23.923 -3.863 4.445
118 HB1 ALA 17 HB1 ALA 17 22.500 -5.106 5.993
119 HB2 ALA 17 HB2 ALA 17 21.616 -5.831 4.651
120 HB3 ALA 17 HB3 ALA 17 21.473 -4.101 4.972
121 H ASN 18 HN ASN 18 22.915 -6.784 2.649
122 HA ASN 18 HA ASN 18 24.945 -8.439 3.967
123 HB2 ASN 18 HB2 ASN 18 24.492 -10.016 2.023
124 HB3 ASN 18 HB1 ASN 18 23.099 -9.632 3.030
125 HD21 ASN 18 HD21 ASN 18 23.749 -6.861 1.295
126 HD22 ASN 18 HD22 ASN 18 22.709 -7.137 -0.045
127 H TYR 19 HN TYR 19 25.109 -6.025 1.567
128 HA TYR 19 HA TYR 19 27.913 -6.175 1.277
129 HB2 TYR 19 HB2 TYR 19 28.242 -7.043 -0.923
130 HB3 TYR 19 HB1 TYR 19 27.242 -8.228 -0.095
131 HD1 TYR 19 HD1 TYR 19 24.825 -8.377 -0.567
132 HD2 TYR 19 HD2 TYR 19 27.372 -5.695 -2.742
133 HE1 TYR 19 HE1 TYR 19 23.046 -8.068 -2.264
134 HE2 TYR 19 HE2 TYR 19 25.592 -5.386 -4.445
135 HN1 NH2 20 HN1 NH2 20 25.158 -5.339 -0.852
136 HN2 NH2 20 HN2 NH2 20 25.634 -3.698 -1.053
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 5.861 9.678 3.665
2 H2 GLY 1 HT2 GLY 1 6.886 10.895 3.048
3 H3 GLY 1 HT3 GLY 1 6.752 10.671 4.728
4 HA2 GLY 1 HA1 GLY 1 8.845 9.757 3.668
5 HA3 GLY 1 HA2 GLY 1 7.925 8.632 4.669
6 H GLU 2 HN GLU 2 5.876 7.908 3.124
7 HA GLU 2 HA GLU 2 6.618 5.846 1.478
8 HB2 GLU 2 HB2 GLU 2 4.430 6.156 0.338
9 HB3 GLU 2 HB1 GLU 2 4.292 6.326 2.085
10 HG2 GLU 2 HG2 GLU 2 4.218 8.493 -0.025
11 HG3 GLU 2 HG1 GLU 2 3.037 8.152 1.232
12 H CGU 3 HN CGU 3 6.210 9.219 0.428
13 HA CGU 3 HA CGU 3 6.711 8.911 -2.323
14 HB2 CGU 3 HB1 CGU 3 7.586 11.209 -0.523
15 HB3 CGU 3 HB2 CGU 3 5.962 11.027 -1.231
16 HG CGU 3 HG CGU 3 7.169 12.560 -2.631
17 H CGU 4 HN CGU 4 9.040 9.380 0.333
18 HA CGU 4 HA CGU 4 11.310 8.974 -1.511
19 HB2 CGU 4 HB1 CGU 4 11.099 9.530 1.464
20 HB3 CGU 4 HB2 CGU 4 11.737 10.589 0.206
21 HG CGU 4 HG CGU 4 12.966 7.968 1.134
22 H LEU 5 HN LEU 5 9.610 7.319 1.122
23 HA LEU 5 HA LEU 5 11.358 5.039 1.226
24 HB2 LEU 5 HB2 LEU 5 8.437 5.340 1.982
25 HB3 LEU 5 HB1 LEU 5 9.434 3.914 2.371
26 HG LEU 5 HG LEU 5 10.183 6.740 3.189
27 HD11 LEU 5 HD11 LEU 5 9.223 4.851 5.245
28 HD12 LEU 5 HD12 LEU 5 7.974 5.417 4.134
29 HD13 LEU 5 HD13 LEU 5 8.916 6.578 5.069
30 HD21 LEU 5 HD21 LEU 5 11.113 3.958 3.968
31 HD22 LEU 5 HD22 LEU 5 11.555 5.415 4.862
32 HD23 LEU 5 HD23 LEU 5 12.061 5.223 3.185
33 H ALA 6 HN ALA 6 8.419 5.757 -0.686
34 HA ALA 6 HA ALA 6 7.949 3.191 -1.776
35 HB1 ALA 6 HB1 ALA 6 7.105 4.407 -3.807
36 HB2 ALA 6 HB2 ALA 6 7.774 5.897 -3.142
37 HB3 ALA 6 HB3 ALA 6 6.475 5.058 -2.294
38 H CGU 7 HN CGU 7 10.112 5.696 -3.155
39 HA CGU 7 HA CGU 7 11.192 3.871 -5.132
40 HB2 CGU 7 HB1 CGU 7 12.269 5.666 -5.979
41 HB3 CGU 7 HB2 CGU 7 13.031 6.031 -4.434
42 HG CGU 7 HG CGU 7 11.035 7.194 -3.675
43 H LYS 8 HN LYS 8 11.829 4.530 -1.821
44 HA LYS 8 HA LYS 8 14.531 3.439 -1.760
45 HB2 LYS 8 HB2 LYS 8 13.617 5.042 -0.049
46 HB3 LYS 8 HB1 LYS 8 12.579 3.734 0.528
47 HG2 LYS 8 HG2 LYS 8 14.355 3.262 1.891
48 HG3 LYS 8 HG1 LYS 8 14.963 2.450 0.454
49 HD2 LYS 8 HD2 LYS 8 15.544 5.332 1.209
50 HD3 LYS 8 HD1 LYS 8 16.655 3.999 1.404
51 HE2 LYS 8 HE2 LYS 8 16.661 3.612 -1.022
52 HE3 LYS 8 HE1 LYS 8 15.519 4.940 -1.232
53 HZ1 LYS 8 HZ1 LYS 8 17.135 6.445 -1.056
54 HZ2 LYS 8 HZ2 LYS 8 18.235 5.158 -1.238
55 HZ3 LYS 8 HZ3 LYS 8 17.805 5.700 0.316
56 H ALA 9 HN ALA 9 11.457 2.238 -0.405
57 HA ALA 9 HA ALA 9 10.765 0.022 -0.014
58 HB1 ALA 9 HB1 ALA 9 11.227 -0.029 -2.557
59 HB2 ALA 9 HB2 ALA 9 11.223 -1.580 -1.715
60 HB3 ALA 9 HB3 ALA 9 12.754 -0.809 -2.139
61 HA PRO 10 HA PRO 10 14.348 -0.082 2.968
62 HB2 PRO 10 HB2 PRO 10 12.676 -1.906 4.477
63 HB3 PRO 10 HB1 PRO 10 13.113 -0.210 4.853
64 HG2 PRO 10 HG2 PRO 10 10.698 -1.298 3.555
65 HG3 PRO 10 HG1 PRO 10 10.924 0.214 4.450
66 HD2 PRO 10 HD2 PRO 10 10.595 0.222 1.786
67 HD3 PRO 10 HD1 PRO 10 11.717 1.364 2.564
68 H CGU 11 HN CGU 11 13.564 -2.271 0.709
69 HA CGU 11 HA CGU 11 14.849 -4.613 1.954
70 HB2 CGU 11 HB1 CGU 11 14.443 -4.971 -0.849
71 HB3 CGU 11 HB2 CGU 11 13.000 -4.185 -0.215
72 HG CGU 11 HG CGU 11 12.720 -5.924 1.454
73 H PHE 12 HN PHE 12 15.513 -1.858 -0.078
74 HA PHE 12 HA PHE 12 17.870 -2.880 -1.400
75 HB2 PHE 12 HB2 PHE 12 18.246 -0.648 -2.080
76 HB3 PHE 12 HB1 PHE 12 16.495 -0.682 -1.849
77 HD1 PHE 12 HD1 PHE 12 15.616 -0.064 0.522
78 HD2 PHE 12 HD2 PHE 12 19.550 0.914 -0.895
79 HE1 PHE 12 HE1 PHE 12 15.846 1.611 2.325
80 HE2 PHE 12 HE2 PHE 12 19.773 2.604 0.906
81 HZ PHE 12 HZ PHE 12 17.915 2.939 2.517
82 H ALA 13 HN ALA 13 17.385 -0.981 1.568
83 HA ALA 13 HA ALA 13 20.022 -0.629 2.408
84 HB1 ALA 13 HB1 ALA 13 17.532 -0.181 3.511
85 HB2 ALA 13 HB2 ALA 13 19.063 0.083 4.347
86 HB3 ALA 13 HB3 ALA 13 18.185 -1.429 4.575
87 H ARG 14 HN ARG 14 17.885 -3.423 2.910
88 HA ARG 14 HA ARG 14 19.940 -4.936 4.285
89 HB2 ARG 14 HB2 ARG 14 17.375 -6.067 3.153
90 HB3 ARG 14 HB1 ARG 14 18.316 -6.646 4.522
91 HG2 ARG 14 HG2 ARG 14 17.760 -4.705 5.829
92 HG3 ARG 14 HG1 ARG 14 16.996 -3.921 4.440
93 HD2 ARG 14 HD2 ARG 14 15.862 -6.555 4.896
94 HD3 ARG 14 HD1 ARG 14 15.725 -5.544 6.337
95 HE ARG 14 HE ARG 14 14.936 -3.935 4.121
96 HH11 ARG 14 HH11 ARG 14 13.826 -6.744 3.503
97 HH12 ARG 14 HH12 ARG 14 12.227 -6.593 4.168
98 HH21 ARG 14 HH21 ARG 14 12.978 -3.738 5.950
99 HH22 ARG 14 HH22 ARG 14 11.748 -4.882 5.543
100 H CGU 15 HN CGU 15 18.602 -4.822 0.988
101 HA CGU 15 HA CGU 15 19.894 -7.161 -0.013
102 HB2 CGU 15 HB1 CGU 15 19.748 -5.947 -2.265
103 HB3 CGU 15 HB2 CGU 15 19.026 -4.602 -1.381
104 HG CGU 15 HG CGU 15 17.432 -6.411 -0.393
105 H LEU 16 HN LEU 16 21.129 -4.017 0.771
106 HA LEU 16 HA LEU 16 23.734 -4.876 -0.401
107 HB2 LEU 16 HB2 LEU 16 24.534 -2.587 -0.039
108 HB3 LEU 16 HB1 LEU 16 23.131 -2.639 -1.117
109 HG LEU 16 HG LEU 16 21.845 -2.345 1.239
110 HD11 LEU 16 HD11 LEU 16 24.630 -1.705 1.780
111 HD12 LEU 16 HD12 LEU 16 23.272 -1.827 2.900
112 HD13 LEU 16 HD13 LEU 16 23.586 -0.309 2.057
113 HD21 LEU 16 HD21 LEU 16 23.091 -0.147 -0.436
114 HD22 LEU 16 HD22 LEU 16 21.774 0.093 0.711
115 HD23 LEU 16 HD23 LEU 16 21.528 -0.918 -0.711
116 H ALA 17 HN ALA 17 21.988 -4.198 2.519
117 HA ALA 17 HA ALA 17 24.018 -3.865 4.419
118 HB1 ALA 17 HB1 ALA 17 21.604 -4.001 5.025
119 HB2 ALA 17 HB2 ALA 17 22.579 -5.083 6.015
120 HB3 ALA 17 HB3 ALA 17 21.630 -5.731 4.680
121 H ASN 18 HN ASN 18 22.938 -6.836 2.766
122 HA ASN 18 HA ASN 18 24.919 -8.492 4.150
123 HB2 ASN 18 HB2 ASN 18 24.409 -10.134 2.281
124 HB3 ASN 18 HB1 ASN 18 23.023 -9.647 3.253
125 HD21 ASN 18 HD21 ASN 18 23.844 -7.001 1.384
126 HD22 ASN 18 HD22 ASN 18 22.792 -7.284 0.053
127 H TYR 19 HN TYR 19 25.162 -6.180 1.660
128 HA TYR 19 HA TYR 19 27.952 -6.424 1.373
129 HB2 TYR 19 HB2 TYR 19 28.280 -7.462 -0.731
130 HB3 TYR 19 HB1 TYR 19 27.156 -8.526 0.099
131 HD1 TYR 19 HD1 TYR 19 27.571 -6.077 -2.614
132 HD2 TYR 19 HD2 TYR 19 24.785 -8.585 -0.522
133 HE1 TYR 19 HE1 TYR 19 25.901 -5.729 -4.418
134 HE2 TYR 19 HE2 TYR 19 23.117 -8.237 -2.321
135 HN1 NH2 20 HN1 NH2 20 25.217 -5.609 -0.793
136 HN2 NH2 20 HN2 NH2 20 25.741 -3.991 -1.065
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 7.198 11.152 1.524
2 H2 GLY 1 HT2 GLY 1 6.867 11.813 3.060
3 H3 GLY 1 HT3 GLY 1 5.754 10.739 2.335
4 HA2 GLY 1 HA1 GLY 1 8.532 10.007 3.156
5 HA3 GLY 1 HA2 GLY 1 7.084 9.663 4.105
6 H GLU 2 HN GLU 2 5.268 8.817 2.458
7 HA GLU 2 HA GLU 2 5.754 6.168 1.803
8 HB2 GLU 2 HB2 GLU 2 3.780 6.364 0.308
9 HB3 GLU 2 HB1 GLU 2 3.520 7.168 1.851
10 HG2 GLU 2 HG2 GLU 2 3.972 8.398 -0.866
11 HG3 GLU 2 HG1 GLU 2 2.708 8.744 0.304
12 H CGU 3 HN CGU 3 5.893 8.893 -0.533
13 HA CGU 3 HA CGU 3 6.921 7.294 -2.681
14 HB2 CGU 3 HB1 CGU 3 7.103 10.292 -2.173
15 HB3 CGU 3 HB2 CGU 3 5.853 9.454 -3.132
16 HG CGU 3 HG CGU 3 8.831 9.447 -3.755
17 H CGU 4 HN CGU 4 8.451 9.417 -0.266
18 HA CGU 4 HA CGU 4 11.149 9.111 -1.097
19 HB2 CGU 4 HB1 CGU 4 11.669 9.564 1.329
20 HB3 CGU 4 HB2 CGU 4 9.950 9.448 1.674
21 HG CGU 4 HG CGU 4 11.306 11.459 -0.153
22 H LEU 5 HN LEU 5 9.100 7.189 1.081
23 HA LEU 5 HA LEU 5 11.119 5.162 1.578
24 HB2 LEU 5 HB2 LEU 5 8.088 5.157 1.839
25 HB3 LEU 5 HB1 LEU 5 9.124 3.790 2.333
26 HG LEU 5 HG LEU 5 9.511 6.620 3.364
27 HD11 LEU 5 HD11 LEU 5 7.863 4.327 4.457
28 HD12 LEU 5 HD12 LEU 5 7.330 5.973 4.118
29 HD13 LEU 5 HD13 LEU 5 8.426 5.660 5.463
30 HD21 LEU 5 HD21 LEU 5 10.556 3.874 4.093
31 HD22 LEU 5 HD22 LEU 5 10.626 5.223 5.226
32 HD23 LEU 5 HD23 LEU 5 11.480 5.321 3.687
33 H ALA 6 HN ALA 6 8.386 5.540 -0.697
34 HA ALA 6 HA ALA 6 8.629 2.989 -1.976
35 HB1 ALA 6 HB1 ALA 6 7.932 5.568 -3.409
36 HB2 ALA 6 HB2 ALA 6 6.801 4.764 -2.322
37 HB3 ALA 6 HB3 ALA 6 7.364 3.939 -3.775
38 H CGU 7 HN CGU 7 10.337 6.056 -2.477
39 HA CGU 7 HA CGU 7 11.908 5.061 -4.732
40 HB2 CGU 7 HB1 CGU 7 13.242 7.143 -4.361
41 HB3 CGU 7 HB2 CGU 7 12.324 7.444 -2.888
42 HG CGU 7 HG CGU 7 10.225 7.305 -4.437
43 H LYS 8 HN LYS 8 11.821 4.126 -1.620
44 HA LYS 8 HA LYS 8 14.769 3.585 -1.485
45 HB2 LYS 8 HB2 LYS 8 13.976 5.170 0.270
46 HB3 LYS 8 HB1 LYS 8 12.849 3.932 0.832
47 HG2 LYS 8 HG2 LYS 8 14.596 3.332 2.193
48 HG3 LYS 8 HG1 LYS 8 15.132 2.481 0.750
49 HD2 LYS 8 HD2 LYS 8 15.897 5.347 1.353
50 HD3 LYS 8 HD1 LYS 8 16.886 3.981 1.802
51 HE2 LYS 8 HE2 LYS 8 16.766 3.281 -0.669
52 HE3 LYS 8 HE1 LYS 8 16.152 4.909 -0.968
53 HZ1 LYS 8 HZ1 LYS 8 18.172 5.769 -0.730
54 HZ2 LYS 8 HZ2 LYS 8 18.782 4.184 -0.774
55 HZ3 LYS 8 HZ3 LYS 8 18.457 4.930 0.716
56 H ALA 9 HN ALA 9 11.665 2.405 -0.172
57 HA ALA 9 HA ALA 9 10.944 0.202 0.221
58 HB1 ALA 9 HB1 ALA 9 11.899 -1.530 -1.423
59 HB2 ALA 9 HB2 ALA 9 12.784 -0.189 -2.150
60 HB3 ALA 9 HB3 ALA 9 11.022 -0.177 -2.136
61 HA PRO 10 HA PRO 10 14.501 -0.046 3.222
62 HB2 PRO 10 HB2 PRO 10 12.763 -1.830 4.701
63 HB3 PRO 10 HB1 PRO 10 13.258 -0.156 5.101
64 HG2 PRO 10 HG2 PRO 10 10.805 -1.140 3.801
65 HG3 PRO 10 HG1 PRO 10 11.093 0.361 4.694
66 HD2 PRO 10 HD2 PRO 10 10.756 0.368 2.025
67 HD3 PRO 10 HD1 PRO 10 11.895 1.488 2.809
68 H CGU 11 HN CGU 11 13.655 -2.156 0.929
69 HA CGU 11 HA CGU 11 14.873 -4.566 2.114
70 HB2 CGU 11 HB1 CGU 11 14.405 -4.833 -0.697
71 HB3 CGU 11 HB2 CGU 11 12.993 -4.041 -0.003
72 HG CGU 11 HG CGU 11 12.723 -5.830 1.617
73 H PHE 12 HN PHE 12 15.570 -1.791 0.105
74 HA PHE 12 HA PHE 12 17.877 -2.841 -1.275
75 HB2 PHE 12 HB2 PHE 12 18.313 -0.599 -1.884
76 HB3 PHE 12 HB1 PHE 12 16.567 -0.584 -1.622
77 HD1 PHE 12 HD1 PHE 12 15.736 -0.001 0.756
78 HD2 PHE 12 HD2 PHE 12 19.705 0.847 -0.639
79 HE1 PHE 12 HE1 PHE 12 16.031 1.617 2.600
80 HE2 PHE 12 HE2 PHE 12 19.998 2.481 1.206
81 HZ PHE 12 HZ PHE 12 18.150 2.860 2.822
82 H ALA 13 HN ALA 13 17.482 -1.038 1.762
83 HA ALA 13 HA ALA 13 20.123 -0.757 2.590
84 HB1 ALA 13 HB1 ALA 13 17.934 -0.021 3.765
85 HB2 ALA 13 HB2 ALA 13 19.277 -0.510 4.795
86 HB3 ALA 13 HB3 ALA 13 17.942 -1.624 4.501
87 H ARG 14 HN ARG 14 17.969 -3.549 3.104
88 HA ARG 14 HA ARG 14 20.077 -5.132 4.295
89 HB2 ARG 14 HB2 ARG 14 17.427 -6.159 3.257
90 HB3 ARG 14 HB1 ARG 14 18.442 -6.848 4.521
91 HG2 ARG 14 HG2 ARG 14 18.045 -4.948 5.965
92 HG3 ARG 14 HG1 ARG 14 17.167 -4.100 4.686
93 HD2 ARG 14 HD2 ARG 14 16.060 -6.751 5.140
94 HD3 ARG 14 HD1 ARG 14 16.053 -5.789 6.620
95 HE ARG 14 HE ARG 14 15.082 -4.082 4.586
96 HH11 ARG 14 HH11 ARG 14 13.908 -6.626 3.563
97 HH12 ARG 14 HH12 ARG 14 12.379 -6.665 4.388
98 HH21 ARG 14 HH21 ARG 14 13.321 -4.335 6.749
99 HH22 ARG 14 HH22 ARG 14 12.050 -5.368 6.194
100 H CGU 15 HN CGU 15 18.608 -4.860 1.065
101 HA CGU 15 HA CGU 15 19.810 -7.182 -0.085
102 HB2 CGU 15 HB1 CGU 15 19.631 -5.857 -2.278
103 HB3 CGU 15 HB2 CGU 15 18.945 -4.552 -1.312
104 HG CGU 15 HG CGU 15 17.311 -6.317 -0.399
105 H LEU 16 HN LEU 16 21.144 -4.096 0.774
106 HA LEU 16 HA LEU 16 23.677 -4.957 -0.537
107 HB2 LEU 16 HB2 LEU 16 24.535 -2.701 -0.137
108 HB3 LEU 16 HB1 LEU 16 23.074 -2.680 -1.134
109 HG LEU 16 HG LEU 16 21.933 -2.461 1.307
110 HD11 LEU 16 HD11 LEU 16 24.775 -1.658 1.600
111 HD12 LEU 16 HD12 LEU 16 23.628 -2.209 2.820
112 HD13 LEU 16 HD13 LEU 16 23.587 -0.537 2.265
113 HD21 LEU 16 HD21 LEU 16 23.128 -0.189 -0.307
114 HD22 LEU 16 HD22 LEU 16 21.827 -0.026 0.872
115 HD23 LEU 16 HD23 LEU 16 21.568 -0.957 -0.602
116 H ALA 17 HN ALA 17 22.063 -4.377 2.474
117 HA ALA 17 HA ALA 17 24.177 -4.152 4.301
118 HB1 ALA 17 HB1 ALA 17 21.762 -4.276 4.965
119 HB2 ALA 17 HB2 ALA 17 22.778 -5.355 5.918
120 HB3 ALA 17 HB3 ALA 17 21.785 -6.005 4.614
121 H ASN 18 HN ASN 18 22.974 -7.031 2.568
122 HA ASN 18 HA ASN 18 24.985 -8.770 3.803
123 HB2 ASN 18 HB2 ASN 18 24.364 -10.331 1.894
124 HB3 ASN 18 HB1 ASN 18 23.040 -9.875 2.962
125 HD21 ASN 18 HD21 ASN 18 23.808 -7.169 1.141
126 HD22 ASN 18 HD22 ASN 18 22.670 -7.383 -0.129
127 H TYR 19 HN TYR 19 25.154 -6.370 1.394
128 HA TYR 19 HA TYR 19 27.923 -6.656 0.966
129 HB2 TYR 19 HB2 TYR 19 28.131 -7.607 -1.194
130 HB3 TYR 19 HB1 TYR 19 27.030 -8.688 -0.356
131 HD1 TYR 19 HD1 TYR 19 27.357 -6.132 -2.982
132 HD2 TYR 19 HD2 TYR 19 24.630 -8.681 -0.862
133 HE1 TYR 19 HE1 TYR 19 25.609 -5.680 -4.683
134 HE2 TYR 19 HE2 TYR 19 22.883 -8.228 -2.564
135 HN1 NH2 20 HN1 NH2 20 25.118 -5.700 -1.044
136 HN2 NH2 20 HN2 NH2 20 25.658 -4.080 -1.264
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 3.710 8.090 1.683
2 H2 GLY 1 HT2 GLY 1 4.935 9.284 1.592
3 H3 GLY 1 HT3 GLY 1 3.983 9.143 2.999
4 HA2 GLY 1 HA1 GLY 1 6.235 8.191 3.272
5 HA3 GLY 1 HA2 GLY 1 4.942 7.018 3.526
6 H GLU 2 HN GLU 2 4.244 5.898 1.412
7 HA GLU 2 HA GLU 2 6.218 4.266 0.348
8 HB2 GLU 2 HB2 GLU 2 4.449 4.719 -1.807
9 HB3 GLU 2 HB1 GLU 2 4.342 3.438 -0.603
10 HG2 GLU 2 HG2 GLU 2 2.247 4.841 -0.812
11 HG3 GLU 2 HG1 GLU 2 2.917 4.791 0.815
12 H CGU 3 HN CGU 3 4.893 7.066 -1.423
13 HA CGU 3 HA CGU 3 6.782 7.187 -3.498
14 HB2 CGU 3 HB1 CGU 3 5.575 9.623 -2.138
15 HB3 CGU 3 HB2 CGU 3 4.615 8.536 -3.168
16 HG CGU 3 HG CGU 3 5.231 9.988 -4.801
17 H CGU 4 HN CGU 4 6.927 8.543 -0.246
18 HA CGU 4 HA CGU 4 9.478 9.871 -0.596
19 HB2 CGU 4 HB1 CGU 4 9.453 9.910 1.915
20 HB3 CGU 4 HB2 CGU 4 7.997 8.929 1.886
21 HG CGU 4 HG CGU 4 8.330 11.736 0.778
22 H LEU 5 HN LEU 5 8.396 6.775 0.772
23 HA LEU 5 HA LEU 5 11.071 5.841 1.399
24 HB2 LEU 5 HB2 LEU 5 8.403 4.418 1.109
25 HB3 LEU 5 HB1 LEU 5 9.902 3.610 1.645
26 HG LEU 5 HG LEU 5 8.849 6.111 2.997
27 HD11 LEU 5 HD11 LEU 5 7.090 4.410 3.140
28 HD12 LEU 5 HD12 LEU 5 7.880 4.588 4.706
29 HD13 LEU 5 HD13 LEU 5 8.266 3.211 3.676
30 HD21 LEU 5 HD21 LEU 5 10.208 4.319 4.730
31 HD22 LEU 5 HD22 LEU 5 10.775 5.879 4.144
32 HD23 LEU 5 HD23 LEU 5 11.164 4.410 3.254
33 H ALA 6 HN ALA 6 8.837 5.421 -1.356
34 HA ALA 6 HA ALA 6 10.174 3.391 -2.779
35 HB1 ALA 6 HB1 ALA 6 8.302 5.495 -3.397
36 HB2 ALA 6 HB2 ALA 6 8.558 3.972 -4.248
37 HB3 ALA 6 HB3 ALA 6 9.502 5.397 -4.685
38 H CGU 7 HN CGU 7 11.283 6.557 -2.014
39 HA CGU 7 HA CGU 7 13.342 6.690 -4.099
40 HB2 CGU 7 HB1 CGU 7 14.033 8.723 -3.023
41 HB3 CGU 7 HB2 CGU 7 13.254 8.264 -1.508
42 HG CGU 7 HG CGU 7 11.055 8.245 -2.846
43 H LYS 8 HN LYS 8 12.929 4.918 -1.292
44 HA LYS 8 HA LYS 8 15.754 4.089 -1.314
45 HB2 LYS 8 HB2 LYS 8 15.670 6.048 0.262
46 HB3 LYS 8 HB1 LYS 8 14.531 5.128 1.249
47 HG2 LYS 8 HG2 LYS 8 16.421 4.331 2.266
48 HG3 LYS 8 HG1 LYS 8 16.474 3.264 0.871
49 HD2 LYS 8 HD2 LYS 8 17.785 5.989 0.901
50 HD3 LYS 8 HD1 LYS 8 18.629 4.528 1.338
51 HE2 LYS 8 HE2 LYS 8 19.159 4.469 -0.877
52 HE3 LYS 8 HE1 LYS 8 17.556 3.753 -1.034
53 HZ1 LYS 8 HZ1 LYS 8 16.654 5.702 -1.832
54 HZ2 LYS 8 HZ2 LYS 8 18.251 5.865 -2.414
55 HZ3 LYS 8 HZ3 LYS 8 17.775 6.680 -1.004
56 H ALA 9 HN ALA 9 12.938 3.871 0.864
57 HA ALA 9 HA ALA 9 11.868 1.969 1.734
58 HB1 ALA 9 HB1 ALA 9 12.656 -0.008 -0.202
59 HB2 ALA 9 HB2 ALA 9 12.289 1.494 -1.048
60 HB3 ALA 9 HB3 ALA 9 11.079 0.755 0.000
61 HA PRO 10 HA PRO 10 15.982 1.153 3.761
62 HB2 PRO 10 HB2 PRO 10 14.393 0.013 5.902
63 HB3 PRO 10 HB1 PRO 10 15.326 1.540 5.881
64 HG2 PRO 10 HG2 PRO 10 12.455 1.079 5.432
65 HG3 PRO 10 HG1 PRO 10 13.303 2.546 5.947
66 HD2 PRO 10 HD2 PRO 10 12.217 2.334 3.489
67 HD3 PRO 10 HD1 PRO 10 13.730 3.230 3.757
68 H CGU 11 HN CGU 11 14.115 -0.922 2.128
69 HA CGU 11 HA CGU 11 15.077 -3.427 3.357
70 HB2 CGU 11 HB1 CGU 11 13.099 -2.665 1.218
71 HB3 CGU 11 HB2 CGU 11 12.878 -3.733 2.597
72 HG CGU 11 HG CGU 11 14.556 -4.389 0.157
73 H PHE 12 HN PHE 12 15.804 -1.084 0.909
74 HA PHE 12 HA PHE 12 17.431 -2.754 -0.812
75 HB2 PHE 12 HB2 PHE 12 18.052 -0.742 -1.868
76 HB3 PHE 12 HB1 PHE 12 16.481 -0.316 -1.185
77 HD1 PHE 12 HD1 PHE 12 16.510 0.623 1.264
78 HD2 PHE 12 HD2 PHE 12 19.923 0.572 -1.337
79 HE1 PHE 12 HE1 PHE 12 17.599 2.343 2.668
80 HE2 PHE 12 HE2 PHE 12 21.010 2.307 0.064
81 HZ PHE 12 HZ PHE 12 19.840 3.188 2.069
82 H ALA 13 HN ALA 13 18.066 -0.651 1.967
83 HA ALA 13 HA ALA 13 20.850 -0.781 2.142
84 HB1 ALA 13 HB1 ALA 13 19.818 0.615 3.731
85 HB2 ALA 13 HB2 ALA 13 20.349 -0.747 4.717
86 HB3 ALA 13 HB3 ALA 13 18.662 -0.627 4.214
87 H ARG 14 HN ARG 14 18.443 -3.048 3.483
88 HA ARG 14 HA ARG 14 20.482 -4.896 4.359
89 HB2 ARG 14 HB2 ARG 14 17.529 -5.463 4.035
90 HB3 ARG 14 HB1 ARG 14 18.680 -6.306 5.071
91 HG2 ARG 14 HG2 ARG 14 19.079 -4.202 6.316
92 HG3 ARG 14 HG1 ARG 14 17.863 -3.398 5.306
93 HD2 ARG 14 HD2 ARG 14 16.255 -5.262 6.080
94 HD3 ARG 14 HD1 ARG 14 17.455 -5.605 7.332
95 HE ARG 14 HE ARG 14 17.136 -3.239 8.117
96 HH11 ARG 14 HH11 ARG 14 14.710 -4.191 9.014
97 HH12 ARG 14 HH12 ARG 14 13.494 -3.332 8.135
98 HH21 ARG 14 HH21 ARG 14 15.658 -2.320 5.631
99 HH22 ARG 14 HH22 ARG 14 14.027 -2.291 6.222
100 H CGU 15 HN CGU 15 18.389 -4.582 1.491
101 HA CGU 15 HA CGU 15 18.912 -7.150 0.360
102 HB2 CGU 15 HB1 CGU 15 18.679 -5.846 -1.907
103 HB3 CGU 15 HB2 CGU 15 18.240 -4.485 -0.881
104 HG CGU 15 HG CGU 15 16.546 -6.031 0.227
105 H LEU 16 HN LEU 16 20.938 -4.326 0.610
106 HA LEU 16 HA LEU 16 22.953 -5.800 -1.020
107 HB2 LEU 16 HB2 LEU 16 24.265 -3.749 -1.110
108 HB3 LEU 16 HB1 LEU 16 22.643 -3.500 -1.771
109 HG LEU 16 HG LEU 16 22.102 -2.785 0.737
110 HD11 LEU 16 HD11 LEU 16 23.872 -2.345 2.071
111 HD12 LEU 16 HD12 LEU 16 24.721 -1.495 0.781
112 HD13 LEU 16 HD13 LEU 16 24.850 -3.248 0.915
113 HD21 LEU 16 HD21 LEU 16 23.221 -1.289 -1.581
114 HD22 LEU 16 HD22 LEU 16 23.134 -0.424 -0.047
115 HD23 LEU 16 HD23 LEU 16 21.672 -1.100 -0.761
116 H ALA 17 HN ALA 17 22.135 -4.660 2.148
117 HA ALA 17 HA ALA 17 24.604 -4.711 3.480
118 HB1 ALA 17 HB1 ALA 17 23.408 -5.421 5.484
119 HB2 ALA 17 HB2 ALA 17 22.067 -6.031 4.514
120 HB3 ALA 17 HB3 ALA 17 22.381 -4.295 4.598
121 H ASN 18 HN ASN 18 22.561 -7.420 2.365
122 HA ASN 18 HA ASN 18 24.436 -9.420 3.413
123 HB2 ASN 18 HB2 ASN 18 23.174 -10.974 1.831
124 HB3 ASN 18 HB1 ASN 18 22.207 -10.197 3.082
125 HD21 ASN 18 HD21 ASN 18 23.028 -7.830 0.851
126 HD22 ASN 18 HD22 ASN 18 21.624 -7.913 -0.136
127 H TYR 19 HN TYR 19 24.537 -7.303 0.751
128 HA TYR 19 HA TYR 19 27.075 -8.144 -0.131
129 HB2 TYR 19 HB2 TYR 19 26.676 -9.255 -2.196
130 HB3 TYR 19 HB1 TYR 19 25.646 -10.076 -1.033
131 HD1 TYR 19 HD1 TYR 19 23.212 -9.649 -0.990
132 HD2 TYR 19 HD2 TYR 19 25.748 -7.882 -3.969
133 HE1 TYR 19 HE1 TYR 19 21.216 -9.047 -2.331
134 HE2 TYR 19 HE2 TYR 19 23.748 -7.282 -5.312
135 HN1 NH2 20 HN1 NH2 20 24.130 -6.844 -1.704
136 HN2 NH2 20 HN2 NH2 20 24.884 -5.379 -2.208