Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
572702 | 2mdb RC | 11538 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 21.539 7.104 -2.765
2 H2 LYS 1 HT2 LYS 1 20.171 6.533 -3.596
3 H3 LYS 1 HT3 LYS 1 20.856 5.610 -2.345
4 HA LYS 1 HA LYS 1 19.952 6.857 -0.701
5 HB2 LYS 1 HB2 LYS 1 21.108 8.918 -1.482
6 HB3 LYS 1 HB1 LYS 1 19.820 9.168 -2.661
7 HG2 LYS 1 HG2 LYS 1 18.167 9.335 -0.862
8 HG3 LYS 1 HG1 LYS 1 19.414 9.005 0.341
9 HD2 LYS 1 HD2 LYS 1 20.616 11.053 -0.345
10 HD3 LYS 1 HD1 LYS 1 19.353 11.391 -1.532
11 HE2 LYS 1 HE2 LYS 1 17.681 11.529 0.269
12 HE3 LYS 1 HE1 LYS 1 18.925 11.164 1.463
13 HZ1 LYS 1 HZ1 LYS 1 20.096 13.189 0.336
14 HZ2 LYS 1 HZ2 LYS 1 18.915 13.430 1.533
15 HZ3 LYS 1 HZ3 LYS 1 18.513 13.604 -0.108
16 H TRP 2 HN TRP 2 18.374 5.175 -1.268
17 HA TRP 2 HA TRP 2 15.844 6.386 -2.165
18 HB2 TRP 2 HB2 TRP 2 17.009 3.813 -3.251
19 HB3 TRP 2 HB1 TRP 2 15.347 4.347 -3.507
20 HD1 TRP 2 HD1 TRP 2 18.948 5.171 -4.448
21 HE1 TRP 2 HE1 TRP 2 18.935 6.800 -6.446
22 HE3 TRP 2 HE3 TRP 2 13.952 6.190 -4.724
23 HZ2 TRP 2 HZ2 TRP 2 17.054 8.332 -7.962
24 HZ3 TRP 2 HZ3 TRP 2 13.077 7.736 -6.453
25 HH2 TRP 2 HH2 TRP 2 14.621 8.807 -8.070
26 H CYS 3 HN CYS 3 14.105 5.715 -1.024
27 HA CYS 3 HA CYS 3 14.595 3.736 1.118
28 HB2 CYS 3 HB2 CYS 3 12.325 5.719 0.908
29 HB3 CYS 3 HB1 CYS 3 12.807 4.778 2.319
30 H PHE 4 HN PHE 4 13.134 2.070 1.508
31 HA PHE 4 HA PHE 4 11.061 1.596 -0.549
32 HB2 PHE 4 HB2 PHE 4 13.109 -0.426 0.399
33 HB3 PHE 4 HB1 PHE 4 11.746 -0.767 -0.670
34 HD1 PHE 4 HD2 PHE 4 11.646 0.229 -2.942
35 HD2 PHE 4 HD1 PHE 4 15.068 0.735 -0.395
36 HE1 PHE 4 HE2 PHE 4 12.988 0.968 -4.892
37 HE2 PHE 4 HE1 PHE 4 16.410 1.474 -2.345
38 HZ PHE 4 HZ PHE 4 15.370 1.590 -4.593
39 H ARG 5 HN ARG 5 9.346 0.246 0.119
40 HA ARG 5 HA ARG 5 9.205 -0.278 3.038
41 HB2 ARG 5 HB2 ARG 5 7.923 1.763 2.467
42 HB3 ARG 5 HB1 ARG 5 6.974 0.825 1.313
43 HG2 ARG 5 HG2 ARG 5 6.189 -0.643 3.118
44 HG3 ARG 5 HG1 ARG 5 7.180 0.237 4.281
45 HD2 ARG 5 HD2 ARG 5 4.999 1.511 2.610
46 HD3 ARG 5 HD1 ARG 5 4.765 0.939 4.259
47 HE ARG 5 HE ARG 5 6.983 2.674 4.230
48 HH11 ARG 5 HH21 ARG 5 3.558 2.677 3.741
49 HH12 ARG 5 HH22 ARG 5 3.344 4.312 4.269
50 HH21 ARG 5 HH11 ARG 5 6.710 4.819 4.924
51 HH22 ARG 5 HH12 ARG 5 5.130 5.526 4.940
52 H VAL 6 HN VAL 6 8.744 -2.320 3.483
53 HA VAL 6 HA VAL 6 7.061 -3.873 1.625
54 HB VAL 6 HB VAL 6 9.424 -4.353 1.053
55 HG11 VAL 6 HG11 VAL 6 10.919 -5.327 2.654
56 HG12 VAL 6 HG12 VAL 6 9.633 -5.492 3.849
57 HG13 VAL 6 HG13 VAL 6 10.240 -3.892 3.422
58 HG21 VAL 6 HG21 VAL 6 8.198 -6.693 2.531
59 HG22 VAL 6 HG22 VAL 6 9.188 -6.733 1.073
60 HG23 VAL 6 HG23 VAL 6 7.548 -6.091 1.006
61 H CYS 7 HN CYS 7 5.705 -5.275 2.615
62 HA CYS 7 HA CYS 7 5.730 -5.280 5.568
63 HB2 CYS 7 HB2 CYS 7 3.498 -6.309 3.826
64 HB3 CYS 7 HB1 CYS 7 3.424 -5.719 5.488
65 H TYR 8 HN TYR 8 6.145 -7.078 6.703
66 HA TYR 8 HA TYR 8 6.637 -9.572 5.196
67 HB2 TYR 8 HB2 TYR 8 8.513 -8.659 6.532
68 HB3 TYR 8 HB1 TYR 8 7.526 -8.791 7.984
69 HD1 TYR 8 HD1 TYR 8 8.853 -10.811 5.127
70 HD2 TYR 8 HD2 TYR 8 7.448 -10.815 9.185
71 HE1 TYR 8 HE1 TYR 8 9.504 -13.193 5.350
72 HE2 TYR 8 HE2 TYR 8 8.098 -13.196 9.409
73 HH TYR 8 HH TYR 8 10.149 -14.740 7.357
74 H ARG 9 HN ARG 9 5.913 -9.185 8.627
75 HA ARG 9 HA ARG 9 3.892 -11.282 8.417
76 HB2 ARG 9 HB2 ARG 9 3.917 -11.133 10.926
77 HB3 ARG 9 HB1 ARG 9 5.473 -11.552 10.207
78 HG2 ARG 9 HG2 ARG 9 6.216 -9.226 10.390
79 HG3 ARG 9 HG1 ARG 9 4.645 -8.755 11.036
80 HD2 ARG 9 HD2 ARG 9 6.228 -9.040 12.873
81 HD3 ARG 9 HD1 ARG 9 5.002 -10.301 12.951
82 HE ARG 9 HE ARG 9 6.644 -11.881 12.418
83 HH11 ARG 9 HH21 ARG 9 7.786 -8.638 12.037
84 HH12 ARG 9 HH22 ARG 9 9.445 -9.096 11.849
85 HH21 ARG 9 HH11 ARG 9 8.820 -12.491 12.172
86 HH22 ARG 9 HH12 ARG 9 10.030 -11.277 11.926
87 H GLY 10 HN GLY 10 3.250 -8.748 7.245
88 HA2 GLY 10 HA2 GLY 10 1.136 -7.707 7.096
89 HA3 GLY 10 HA1 GLY 10 0.803 -8.175 8.761
90 H ILE 11 HN ILE 11 3.846 -7.068 8.913
91 HA ILE 11 HA ILE 11 2.958 -4.354 9.683
92 HB ILE 11 HB ILE 11 5.451 -5.892 10.450
93 HG12 ILE 11 HG12 ILE 11 3.029 -5.146 12.116
94 HG13 ILE 11 HG11 ILE 11 3.260 -6.734 11.385
95 HG21 ILE 11 HG21 ILE 11 4.363 -3.180 11.253
96 HG22 ILE 11 HG22 ILE 11 5.909 -3.524 10.476
97 HG23 ILE 11 HG23 ILE 11 5.631 -4.019 12.144
98 HD11 ILE 11 HD11 ILE 11 5.002 -5.398 13.469
99 HD12 ILE 11 HD12 ILE 11 5.492 -6.843 12.588
100 HD13 ILE 11 HD13 ILE 11 4.077 -6.890 13.639
101 H CYS 12 HN CYS 12 3.429 -2.741 8.364
102 HA CYS 12 HA CYS 12 5.576 -3.085 6.364
103 HB2 CYS 12 HB2 CYS 12 3.490 -0.901 6.454
104 HB3 CYS 12 HB1 CYS 12 4.489 -1.399 5.088
105 H TYR 13 HN TYR 13 7.414 -1.975 6.512
106 HA TYR 13 HA TYR 13 7.502 0.501 8.110
107 HB2 TYR 13 HB2 TYR 13 8.192 -1.343 9.607
108 HB3 TYR 13 HB1 TYR 13 9.441 -1.802 8.450
109 HD1 TYR 13 HD1 TYR 13 8.222 1.085 10.495
110 HD2 TYR 13 HD2 TYR 13 11.548 -0.750 8.491
111 HE1 TYR 13 HE1 TYR 13 9.745 2.787 11.464
112 HE2 TYR 13 HE2 TYR 13 13.071 0.951 9.460
113 HH TYR 13 HH TYR 13 12.308 2.853 12.020
114 H ARG 14 HN ARG 14 9.322 1.853 7.616
115 HA ARG 14 HA ARG 14 10.037 1.743 4.832
116 HB2 ARG 14 HB2 ARG 14 10.845 3.622 7.063
117 HB3 ARG 14 HB1 ARG 14 11.341 3.819 5.382
118 HG2 ARG 14 HG2 ARG 14 8.983 3.940 4.686
119 HG3 ARG 14 HG1 ARG 14 8.470 3.713 6.359
120 HD2 ARG 14 HD2 ARG 14 9.645 5.789 6.999
121 HD3 ARG 14 HD1 ARG 14 10.142 6.020 5.325
122 HE ARG 14 HE ARG 14 7.349 5.766 5.358
123 HH11 ARG 14 HH21 ARG 14 9.843 7.862 6.520
124 HH12 ARG 14 HH22 ARG 14 8.862 9.288 6.462
125 HH21 ARG 14 HH11 ARG 14 6.057 7.631 5.278
126 HH22 ARG 14 HH12 ARG 14 6.718 9.157 5.759
127 H ARG 15 HN ARG 15 11.983 1.270 3.926
128 HA ARG 15 HA ARG 15 14.142 0.314 5.724
129 HB2 ARG 15 HB2 ARG 15 12.921 -1.582 4.666
130 HB3 ARG 15 HB1 ARG 15 13.326 -0.920 3.082
131 HG2 ARG 15 HG2 ARG 15 15.718 -1.130 3.577
132 HG3 ARG 15 HG1 ARG 15 15.348 -1.720 5.196
133 HD2 ARG 15 HD2 ARG 15 14.167 -3.656 4.214
134 HD3 ARG 15 HD1 ARG 15 14.560 -3.071 2.599
135 HE ARG 15 HE ARG 15 16.968 -3.285 3.998
136 HH11 ARG 15 HH21 ARG 15 14.369 -5.293 2.910
137 HH12 ARG 15 HH22 ARG 15 15.356 -6.705 2.721
138 HH21 ARG 15 HH11 ARG 15 18.268 -5.131 3.754
139 HH22 ARG 15 HH12 ARG 15 17.563 -6.612 3.199
140 H CYS 16 HN CYS 16 14.875 2.561 5.397
141 HA CYS 16 HA CYS 16 16.111 2.996 2.742
142 HB2 CYS 16 HB2 CYS 16 14.508 4.706 4.047
143 HB3 CYS 16 HB1 CYS 16 16.037 5.180 4.776
144 H ARG 17 HN ARG 17 18.262 3.861 2.682
145 HA ARG 17 HA ARG 17 19.915 3.819 5.039
146 HB2 ARG 17 HB2 ARG 17 19.703 1.394 4.554
147 HB3 ARG 17 HB1 ARG 17 20.361 1.682 2.943
148 HG2 ARG 17 HG2 ARG 17 22.433 2.575 3.944
149 HG3 ARG 17 HG1 ARG 17 21.774 2.295 5.556
150 HD2 ARG 17 HD2 ARG 17 23.229 0.440 4.980
151 HD3 ARG 17 HD1 ARG 17 21.564 -0.132 4.990
152 HE ARG 17 HE ARG 17 22.236 0.701 2.374
153 HH11 ARG 17 HH21 ARG 17 22.939 -1.740 4.722
154 HH12 ARG 17 HH22 ARG 17 23.319 -2.957 3.548
155 HH21 ARG 17 HH11 ARG 17 22.735 -0.888 0.827
156 HH22 ARG 17 HH12 ARG 17 23.205 -2.473 1.344
157 HN1 NH2 18 HN1 NH2 18 19.734 3.946 1.479
158 HN2 NH2 18 HN2 NH2 18 21.048 5.003 1.298
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 19.863 7.392 -4.596
2 H2 LYS 1 HT2 LYS 1 19.584 5.801 -4.066
3 H3 LYS 1 HT3 LYS 1 20.921 6.673 -3.484
4 HA LYS 1 HA LYS 1 19.499 6.911 -1.725
5 HB2 LYS 1 HB2 LYS 1 18.579 9.144 -3.556
6 HB3 LYS 1 HB1 LYS 1 18.642 9.170 -1.795
7 HG2 LYS 1 HG2 LYS 1 21.066 8.846 -3.585
8 HG3 LYS 1 HG1 LYS 1 20.566 10.369 -2.851
9 HD2 LYS 1 HD2 LYS 1 20.655 9.109 -0.601
10 HD3 LYS 1 HD1 LYS 1 21.545 7.862 -1.475
11 HE2 LYS 1 HE2 LYS 1 23.200 9.555 -2.192
12 HE3 LYS 1 HE1 LYS 1 22.333 10.774 -1.260
13 HZ1 LYS 1 HZ1 LYS 1 23.415 8.275 -0.090
14 HZ2 LYS 1 HZ2 LYS 1 22.776 9.610 0.743
15 HZ3 LYS 1 HZ3 LYS 1 24.251 9.750 -0.087
16 H TRP 2 HN TRP 2 18.118 5.103 -1.776
17 HA TRP 2 HA TRP 2 15.335 5.772 -2.435
18 HB2 TRP 2 HB2 TRP 2 16.288 4.598 -4.425
19 HB3 TRP 2 HB1 TRP 2 16.640 3.215 -3.389
20 HD1 TRP 2 HD1 TRP 2 14.621 1.757 -2.537
21 HE1 TRP 2 HE1 TRP 2 12.148 1.598 -3.258
22 HE3 TRP 2 HE3 TRP 2 14.251 6.008 -5.338
23 HZ2 TRP 2 HZ2 TRP 2 10.265 3.084 -4.817
24 HZ3 TRP 2 HZ3 TRP 2 12.109 6.613 -6.429
25 HH2 TRP 2 HH2 TRP 2 10.118 5.158 -6.173
26 H CYS 3 HN CYS 3 13.969 5.081 -0.912
27 HA CYS 3 HA CYS 3 15.036 3.538 1.328
28 HB2 CYS 3 HB2 CYS 3 12.361 4.887 0.897
29 HB3 CYS 3 HB1 CYS 3 12.837 4.054 2.375
30 H PHE 4 HN PHE 4 13.785 1.729 2.230
31 HA PHE 4 HA PHE 4 12.381 0.172 0.122
32 HB2 PHE 4 HB2 PHE 4 14.326 -0.780 2.231
33 HB3 PHE 4 HB1 PHE 4 13.310 -1.852 1.271
34 HD1 PHE 4 HD2 PHE 4 13.580 -1.952 -1.210
35 HD2 PHE 4 HD1 PHE 4 16.260 0.290 1.287
36 HE1 PHE 4 HE2 PHE 4 15.225 -1.851 -3.065
37 HE2 PHE 4 HE1 PHE 4 17.904 0.391 -0.566
38 HZ PHE 4 HZ PHE 4 17.387 -0.680 -2.742
39 H ARG 5 HN ARG 5 10.570 -0.944 0.726
40 HA ARG 5 HA ARG 5 9.765 -1.100 3.502
41 HB2 ARG 5 HB2 ARG 5 7.525 0.096 2.834
42 HB3 ARG 5 HB1 ARG 5 8.930 1.070 3.268
43 HG2 ARG 5 HG2 ARG 5 9.492 1.415 0.934
44 HG3 ARG 5 HG1 ARG 5 8.223 0.303 0.421
45 HD2 ARG 5 HD2 ARG 5 7.435 2.596 0.170
46 HD3 ARG 5 HD1 ARG 5 6.528 1.797 1.450
47 HE ARG 5 HE ARG 5 8.801 3.175 2.500
48 HH11 ARG 5 HH21 ARG 5 5.604 3.580 1.239
49 HH12 ARG 5 HH22 ARG 5 5.299 5.046 2.110
50 HH21 ARG 5 HH11 ARG 5 8.408 5.098 3.642
51 HH22 ARG 5 HH12 ARG 5 6.885 5.905 3.470
52 H VAL 6 HN VAL 6 9.244 -3.214 3.484
53 HA VAL 6 HA VAL 6 7.305 -4.149 1.430
54 HB VAL 6 HB VAL 6 9.722 -5.572 2.554
55 HG11 VAL 6 HG11 VAL 6 7.272 -6.628 1.127
56 HG12 VAL 6 HG12 VAL 6 8.016 -7.230 2.608
57 HG13 VAL 6 HG13 VAL 6 8.814 -7.479 1.056
58 HG21 VAL 6 HG21 VAL 6 8.793 -4.849 -0.243
59 HG22 VAL 6 HG22 VAL 6 10.195 -5.859 0.110
60 HG23 VAL 6 HG23 VAL 6 10.177 -4.171 0.616
61 H CYS 7 HN CYS 7 5.502 -5.020 2.211
62 HA CYS 7 HA CYS 7 5.329 -5.523 5.118
63 HB2 CYS 7 HB2 CYS 7 3.021 -5.433 3.176
64 HB3 CYS 7 HB1 CYS 7 2.996 -5.221 4.926
65 H TYR 8 HN TYR 8 4.737 -7.493 5.926
66 HA TYR 8 HA TYR 8 3.976 -9.648 4.102
67 HB2 TYR 8 HB2 TYR 8 6.528 -9.541 4.207
68 HB3 TYR 8 HB1 TYR 8 6.379 -10.006 5.901
69 HD1 TYR 8 HD2 TYR 8 5.437 -12.200 6.530
70 HD2 TYR 8 HD1 TYR 8 6.020 -11.094 2.422
71 HE1 TYR 8 HE2 TYR 8 5.157 -14.569 5.853
72 HE2 TYR 8 HE1 TYR 8 5.740 -13.461 1.743
73 HH TYR 8 HH TYR 8 5.622 -15.583 2.487
74 H ARG 9 HN ARG 9 5.270 -9.319 7.417
75 HA ARG 9 HA ARG 9 3.339 -11.173 8.465
76 HB2 ARG 9 HB2 ARG 9 5.338 -9.346 9.814
77 HB3 ARG 9 HB1 ARG 9 4.320 -10.502 10.675
78 HG2 ARG 9 HG2 ARG 9 5.278 -12.344 9.349
79 HG3 ARG 9 HG1 ARG 9 6.288 -11.196 8.473
80 HD2 ARG 9 HD2 ARG 9 6.367 -11.563 11.479
81 HD3 ARG 9 HD1 ARG 9 7.473 -12.360 10.363
82 HE ARG 9 HE ARG 9 7.550 -9.609 9.823
83 HH11 ARG 9 HH21 ARG 9 8.304 -11.852 12.347
84 HH12 ARG 9 HH22 ARG 9 9.594 -10.897 12.999
85 HH21 ARG 9 HH11 ARG 9 9.239 -8.351 10.673
86 HH22 ARG 9 HH12 ARG 9 10.124 -8.916 12.052
87 H GLY 10 HN GLY 10 2.449 -8.588 7.171
88 HA2 GLY 10 HA2 GLY 10 0.478 -7.373 7.465
89 HA3 GLY 10 HA1 GLY 10 0.389 -7.964 9.123
90 H ILE 11 HN ILE 11 3.450 -7.007 8.956
91 HA ILE 11 HA ILE 11 2.827 -4.227 9.818
92 HB ILE 11 HB ILE 11 5.054 -6.078 10.697
93 HG12 ILE 11 HG12 ILE 11 2.778 -4.872 12.295
94 HG13 ILE 11 HG11 ILE 11 2.702 -6.483 11.585
95 HG21 ILE 11 HG21 ILE 11 5.924 -3.849 10.682
96 HG22 ILE 11 HG22 ILE 11 5.442 -4.167 12.348
97 HG23 ILE 11 HG23 ILE 11 4.414 -3.182 11.306
98 HD11 ILE 11 HD11 ILE 11 4.809 -5.534 13.549
99 HD12 ILE 11 HD12 ILE 11 4.707 -7.150 12.849
100 HD13 ILE 11 HD13 ILE 11 3.446 -6.580 13.942
101 H CYS 12 HN CYS 12 3.494 -2.720 8.460
102 HA CYS 12 HA CYS 12 5.485 -3.338 6.420
103 HB2 CYS 12 HB2 CYS 12 3.881 -0.822 6.938
104 HB3 CYS 12 HB1 CYS 12 4.914 -1.109 5.538
105 H TYR 13 HN TYR 13 7.545 -2.697 6.430
106 HA TYR 13 HA TYR 13 8.475 -1.003 8.684
107 HB2 TYR 13 HB2 TYR 13 9.878 -3.142 7.072
108 HB3 TYR 13 HB1 TYR 13 10.698 -2.077 8.215
109 HD1 TYR 13 HD2 TYR 13 10.123 -2.141 10.633
110 HD2 TYR 13 HD1 TYR 13 8.459 -4.936 7.829
111 HE1 TYR 13 HE2 TYR 13 9.427 -3.608 12.508
112 HE2 TYR 13 HE1 TYR 13 7.762 -6.403 9.704
113 HH TYR 13 HH TYR 13 8.884 -6.521 12.458
114 H ARG 14 HN ARG 14 10.228 0.483 8.258
115 HA ARG 14 HA ARG 14 10.467 1.306 5.418
116 HB2 ARG 14 HB2 ARG 14 8.848 2.782 6.599
117 HB3 ARG 14 HB1 ARG 14 10.109 3.190 7.762
118 HG2 ARG 14 HG2 ARG 14 11.521 4.067 5.937
119 HG3 ARG 14 HG1 ARG 14 10.266 3.651 4.769
120 HD2 ARG 14 HD2 ARG 14 8.693 5.149 6.023
121 HD3 ARG 14 HD1 ARG 14 10.042 5.643 7.040
122 HE ARG 14 HE ARG 14 9.519 6.516 4.346
123 HH11 ARG 14 HH21 ARG 14 11.954 5.860 6.717
124 HH12 ARG 14 HH22 ARG 14 13.099 6.974 6.048
125 HH21 ARG 14 HH11 ARG 14 11.017 7.978 3.465
126 HH22 ARG 14 HH12 ARG 14 12.569 8.174 4.209
127 H ARG 15 HN ARG 15 12.498 1.579 4.774
128 HA ARG 15 HA ARG 15 14.578 2.192 6.785
129 HB2 ARG 15 HB2 ARG 15 14.698 -0.043 4.748
130 HB3 ARG 15 HB1 ARG 15 16.067 0.516 5.712
131 HG2 ARG 15 HG2 ARG 15 14.874 -0.047 7.778
132 HG3 ARG 15 HG1 ARG 15 13.462 -0.544 6.847
133 HD2 ARG 15 HD2 ARG 15 14.734 -2.527 7.445
134 HD3 ARG 15 HD1 ARG 15 14.872 -2.265 5.710
135 HE ARG 15 HE ARG 15 17.138 -1.767 5.998
136 HH11 ARG 15 HH21 ARG 15 15.458 -1.939 9.018
137 HH12 ARG 15 HH22 ARG 15 16.900 -1.929 9.979
138 HH21 ARG 15 HH11 ARG 15 19.033 -1.758 7.250
139 HH22 ARG 15 HH12 ARG 15 18.925 -1.827 8.978
140 H CYS 16 HN CYS 16 16.214 3.477 6.060
141 HA CYS 16 HA CYS 16 16.302 4.153 3.187
142 HB2 CYS 16 HB2 CYS 16 16.141 6.162 5.446
143 HB3 CYS 16 HB1 CYS 16 16.459 6.552 3.756
144 H ARG 17 HN ARG 17 18.293 5.191 2.542
145 HA ARG 17 HA ARG 17 20.506 5.269 4.407
146 HB2 ARG 17 HB2 ARG 17 20.364 2.852 3.840
147 HB3 ARG 17 HB1 ARG 17 20.563 3.269 2.139
148 HG2 ARG 17 HG2 ARG 17 22.745 4.288 2.617
149 HG3 ARG 17 HG1 ARG 17 22.542 3.940 4.335
150 HD2 ARG 17 HD2 ARG 17 23.950 2.224 3.322
151 HD3 ARG 17 HD1 ARG 17 22.411 1.515 3.801
152 HE ARG 17 HE ARG 17 22.266 2.392 1.104
153 HH11 ARG 17 HH21 ARG 17 23.695 -0.011 3.145
154 HH12 ARG 17 HH22 ARG 17 23.787 -1.212 1.900
155 HH21 ARG 17 HH11 ARG 17 22.379 0.820 -0.532
156 HH22 ARG 17 HH12 ARG 17 23.040 -0.741 -0.181
157 HN1 NH2 18 HN1 NH2 18 20.633 4.670 0.883
158 HN2 NH2 18 HN2 NH2 18 21.235 6.209 0.497
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 19.694 6.319 -1.484
2 H2 LYS 1 HT2 LYS 1 18.696 6.595 -0.139
3 H3 LYS 1 HT3 LYS 1 19.784 7.795 -0.652
4 HA LYS 1 HA LYS 1 17.601 8.419 -1.352
5 HB2 LYS 1 HB2 LYS 1 19.523 8.843 -2.884
6 HB3 LYS 1 HB1 LYS 1 19.188 7.308 -3.687
7 HG2 LYS 1 HG2 LYS 1 16.950 8.085 -4.306
8 HG3 LYS 1 HG1 LYS 1 17.219 9.602 -3.446
9 HD2 LYS 1 HD2 LYS 1 19.109 10.118 -4.954
10 HD3 LYS 1 HD1 LYS 1 18.818 8.610 -5.823
11 HE2 LYS 1 HE2 LYS 1 16.572 9.373 -6.446
12 HE3 LYS 1 HE1 LYS 1 16.809 10.864 -5.534
13 HZ1 LYS 1 HZ1 LYS 1 18.664 10.060 -7.689
14 HZ2 LYS 1 HZ2 LYS 1 18.426 11.602 -7.013
15 HZ3 LYS 1 HZ3 LYS 1 17.243 10.923 -8.026
16 H TRP 2 HN TRP 2 18.469 5.100 -1.971
17 HA TRP 2 HA TRP 2 15.778 4.493 -3.029
18 HB2 TRP 2 HB2 TRP 2 18.224 2.717 -2.860
19 HB3 TRP 2 HB1 TRP 2 16.718 2.364 -3.709
20 HD1 TRP 2 HD1 TRP 2 19.724 4.738 -3.827
21 HE1 TRP 2 HE1 TRP 2 19.947 5.663 -6.222
22 HE3 TRP 2 HE3 TRP 2 15.495 2.788 -5.918
23 HZ2 TRP 2 HZ2 TRP 2 18.519 5.583 -8.701
24 HZ3 TRP 2 HZ3 TRP 2 14.950 3.228 -8.296
25 HH2 TRP 2 HH2 TRP 2 16.456 4.621 -9.688
26 H CYS 3 HN CYS 3 14.463 4.403 -1.259
27 HA CYS 3 HA CYS 3 15.274 2.749 1.046
28 HB2 CYS 3 HB2 CYS 3 14.249 5.089 1.290
29 HB3 CYS 3 HB1 CYS 3 12.727 4.347 0.799
30 H PHE 4 HN PHE 4 14.063 0.998 1.729
31 HA PHE 4 HA PHE 4 12.253 -0.174 -0.314
32 HB2 PHE 4 HB2 PHE 4 14.085 -1.440 1.730
33 HB3 PHE 4 HB1 PHE 4 12.846 -2.343 0.861
34 HD1 PHE 4 HD2 PHE 4 12.958 -2.590 -1.603
35 HD2 PHE 4 HD1 PHE 4 16.085 -0.670 0.626
36 HE1 PHE 4 HE2 PHE 4 14.473 -2.794 -3.555
37 HE2 PHE 4 HE1 PHE 4 17.602 -0.871 -1.324
38 HZ PHE 4 HZ PHE 4 16.795 -1.932 -3.416
39 H ARG 5 HN ARG 5 10.187 -0.308 0.199
40 HA ARG 5 HA ARG 5 9.403 -0.600 3.035
41 HB2 ARG 5 HB2 ARG 5 9.147 1.778 2.367
42 HB3 ARG 5 HB1 ARG 5 8.092 1.274 1.049
43 HG2 ARG 5 HG2 ARG 5 6.525 0.277 2.670
44 HG3 ARG 5 HG1 ARG 5 7.584 0.761 3.995
45 HD2 ARG 5 HD2 ARG 5 7.328 3.139 3.260
46 HD3 ARG 5 HD1 ARG 5 6.161 2.602 2.053
47 HE ARG 5 HE ARG 5 5.734 2.785 4.927
48 HH11 ARG 5 HH21 ARG 5 4.745 1.458 1.887
49 HH12 ARG 5 HH22 ARG 5 3.114 1.163 2.387
50 HH21 ARG 5 HH11 ARG 5 3.597 2.395 5.594
51 HH22 ARG 5 HH12 ARG 5 2.465 1.692 4.487
52 H VAL 6 HN VAL 6 8.537 -2.584 3.062
53 HA VAL 6 HA VAL 6 6.284 -3.151 1.267
54 HB VAL 6 HB VAL 6 8.145 -4.169 0.095
55 HG11 VAL 6 HG11 VAL 6 9.593 -5.825 1.207
56 HG12 VAL 6 HG12 VAL 6 8.750 -5.540 2.730
57 HG13 VAL 6 HG13 VAL 6 9.710 -4.255 2.000
58 HG21 VAL 6 HG21 VAL 6 5.938 -5.427 0.425
59 HG22 VAL 6 HG22 VAL 6 6.777 -6.380 1.647
60 HG23 VAL 6 HG23 VAL 6 7.327 -6.413 -0.029
61 H CYS 7 HN CYS 7 4.727 -4.426 2.197
62 HA CYS 7 HA CYS 7 5.099 -5.073 5.065
63 HB2 CYS 7 HB2 CYS 7 2.503 -4.975 3.515
64 HB3 CYS 7 HB1 CYS 7 2.721 -4.959 5.263
65 H TYR 8 HN TYR 8 5.119 -7.159 5.722
66 HA TYR 8 HA TYR 8 3.892 -9.248 4.075
67 HB2 TYR 8 HB2 TYR 8 6.238 -8.999 3.226
68 HB3 TYR 8 HB1 TYR 8 6.816 -9.400 4.842
69 HD1 TYR 8 HD1 TYR 8 4.857 -10.670 1.950
70 HD2 TYR 8 HD2 TYR 8 6.822 -11.655 5.640
71 HE1 TYR 8 HE1 TYR 8 4.596 -13.082 1.442
72 HE2 TYR 8 HE2 TYR 8 6.563 -14.069 5.132
73 HH TYR 8 HH TYR 8 5.166 -15.159 2.049
74 H ARG 9 HN ARG 9 6.058 -8.720 6.862
75 HA ARG 9 HA ARG 9 5.023 -10.968 8.311
76 HB2 ARG 9 HB2 ARG 9 6.754 -8.627 9.143
77 HB3 ARG 9 HB1 ARG 9 6.341 -9.970 10.212
78 HG2 ARG 9 HG2 ARG 9 7.359 -11.560 8.639
79 HG3 ARG 9 HG1 ARG 9 7.752 -10.237 7.540
80 HD2 ARG 9 HD2 ARG 9 9.153 -9.204 9.302
81 HD3 ARG 9 HD1 ARG 9 8.783 -10.554 10.374
82 HE ARG 9 HE ARG 9 9.900 -11.401 7.857
83 HH11 ARG 9 HH21 ARG 9 10.567 -10.174 11.022
84 HH12 ARG 9 HH22 ARG 9 12.168 -10.835 11.092
85 HH21 ARG 9 HH11 ARG 9 11.999 -12.264 7.938
86 HH22 ARG 9 HH12 ARG 9 12.979 -12.016 9.343
87 H GLY 10 HN GLY 10 3.195 -8.714 7.401
88 HA2 GLY 10 HA2 GLY 10 1.156 -7.967 8.206
89 HA3 GLY 10 HA1 GLY 10 1.555 -8.669 9.771
90 H ILE 11 HN ILE 11 4.165 -6.893 8.879
91 HA ILE 11 HA ILE 11 3.181 -4.408 10.181
92 HB ILE 11 HB ILE 11 5.860 -5.776 10.536
93 HG12 ILE 11 HG12 ILE 11 3.653 -5.237 12.543
94 HG13 ILE 11 HG11 ILE 11 3.860 -6.780 11.716
95 HG21 ILE 11 HG21 ILE 11 6.112 -3.932 12.285
96 HG22 ILE 11 HG22 ILE 11 4.719 -3.151 11.534
97 HG23 ILE 11 HG23 ILE 11 6.197 -3.400 10.605
98 HD11 ILE 11 HD11 ILE 11 6.031 -7.107 12.696
99 HD12 ILE 11 HD12 ILE 11 4.939 -6.655 14.004
100 HD13 ILE 11 HD13 ILE 11 6.053 -5.463 13.335
101 H CYS 12 HN CYS 12 3.509 -2.613 9.043
102 HA CYS 12 HA CYS 12 5.155 -2.737 6.609
103 HB2 CYS 12 HB2 CYS 12 3.206 -0.657 7.625
104 HB3 CYS 12 HB1 CYS 12 4.079 -0.556 6.096
105 H TYR 13 HN TYR 13 7.104 -1.843 6.490
106 HA TYR 13 HA TYR 13 7.824 0.425 8.190
107 HB2 TYR 13 HB2 TYR 13 8.364 -1.658 9.502
108 HB3 TYR 13 HB1 TYR 13 9.496 -2.096 8.223
109 HD1 TYR 13 HD1 TYR 13 8.628 0.700 10.551
110 HD2 TYR 13 HD2 TYR 13 11.700 -1.243 8.260
111 HE1 TYR 13 HE1 TYR 13 10.328 2.190 11.566
112 HE2 TYR 13 HE2 TYR 13 13.401 0.250 9.277
113 HH TYR 13 HH TYR 13 12.547 2.513 11.862
114 H ARG 14 HN ARG 14 9.956 1.311 7.593
115 HA ARG 14 HA ARG 14 10.715 0.693 4.790
116 HB2 ARG 14 HB2 ARG 14 11.070 3.106 4.444
117 HB3 ARG 14 HB1 ARG 14 9.390 2.762 4.856
118 HG2 ARG 14 HG2 ARG 14 9.861 3.348 7.217
119 HG3 ARG 14 HG1 ARG 14 11.524 3.739 6.778
120 HD2 ARG 14 HD2 ARG 14 10.702 5.458 5.209
121 HD3 ARG 14 HD1 ARG 14 9.044 5.083 5.669
122 HE ARG 14 HE ARG 14 11.002 6.551 7.254
123 HH11 ARG 14 HH21 ARG 14 7.995 4.839 7.121
124 HH12 ARG 14 HH22 ARG 14 7.352 5.586 8.546
125 HH21 ARG 14 HH11 ARG 14 10.163 7.530 9.123
126 HH22 ARG 14 HH12 ARG 14 8.578 7.107 9.679
127 H ARG 15 HN ARG 15 12.870 0.725 4.322
128 HA ARG 15 HA ARG 15 14.747 1.260 6.569
129 HB2 ARG 15 HB2 ARG 15 14.879 -0.899 4.451
130 HB3 ARG 15 HB1 ARG 15 16.157 -0.547 5.615
131 HG2 ARG 15 HG2 ARG 15 14.647 -1.052 7.472
132 HG3 ARG 15 HG1 ARG 15 13.318 -1.323 6.345
133 HD2 ARG 15 HD2 ARG 15 14.270 -3.472 6.994
134 HD3 ARG 15 HD1 ARG 15 14.627 -3.165 5.296
135 HE ARG 15 HE ARG 15 16.747 -2.201 6.920
136 HH11 ARG 15 HH21 ARG 15 15.251 -5.105 5.780
137 HH12 ARG 15 HH22 ARG 15 16.708 -6.041 5.834
138 HH21 ARG 15 HH11 ARG 15 18.661 -3.419 6.991
139 HH22 ARG 15 HH12 ARG 15 18.640 -5.085 6.520
140 H CYS 16 HN CYS 16 15.023 3.405 5.761
141 HA CYS 16 HA CYS 16 16.190 3.710 3.084
142 HB2 CYS 16 HB2 CYS 16 15.757 5.922 5.086
143 HB3 CYS 16 HB1 CYS 16 15.798 6.014 3.325
144 H ARG 17 HN ARG 17 18.255 4.559 2.728
145 HA ARG 17 HA ARG 17 20.030 5.045 4.990
146 HB2 ARG 17 HB2 ARG 17 20.096 2.576 4.693
147 HB3 ARG 17 HB1 ARG 17 20.611 2.817 3.023
148 HG2 ARG 17 HG2 ARG 17 22.613 4.019 3.798
149 HG3 ARG 17 HG1 ARG 17 22.098 3.813 5.473
150 HD2 ARG 17 HD2 ARG 17 22.631 1.526 3.559
151 HD3 ARG 17 HD1 ARG 17 23.792 2.118 4.743
152 HE ARG 17 HE ARG 17 21.387 1.539 6.084
153 HH11 ARG 17 HH21 ARG 17 23.935 -0.018 4.337
154 HH12 ARG 17 HH22 ARG 17 23.796 -1.516 5.196
155 HH21 ARG 17 HH11 ARG 17 21.196 -0.421 7.214
156 HH22 ARG 17 HH12 ARG 17 22.245 -1.745 6.825
157 HN1 NH2 18 HN1 NH2 18 19.355 5.133 1.546
158 HN2 NH2 18 HN2 NH2 18 20.598 6.218 1.151
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 19.903 4.800 -3.460
2 H2 LYS 1 HT2 LYS 1 20.937 6.146 -3.378
3 H3 LYS 1 HT3 LYS 1 20.032 5.850 -4.786
4 HA LYS 1 HA LYS 1 19.082 6.795 -2.152
5 HB2 LYS 1 HB2 LYS 1 19.815 8.452 -3.854
6 HB3 LYS 1 HB1 LYS 1 18.648 7.775 -4.990
7 HG2 LYS 1 HG2 LYS 1 16.806 8.347 -3.478
8 HG3 LYS 1 HG1 LYS 1 17.951 8.969 -2.291
9 HD2 LYS 1 HD2 LYS 1 18.715 10.665 -3.921
10 HD3 LYS 1 HD1 LYS 1 17.552 10.051 -5.097
11 HE2 LYS 1 HE2 LYS 1 15.701 10.605 -3.573
12 HE3 LYS 1 HE1 LYS 1 16.852 11.194 -2.374
13 HZ1 LYS 1 HZ1 LYS 1 15.904 12.450 -4.794
14 HZ2 LYS 1 HZ2 LYS 1 17.587 12.548 -4.573
15 HZ3 LYS 1 HZ3 LYS 1 16.536 13.148 -3.382
16 H TRP 2 HN TRP 2 17.976 4.745 -1.770
17 HA TRP 2 HA TRP 2 15.297 4.777 -2.889
18 HB2 TRP 2 HB2 TRP 2 16.621 3.385 -4.499
19 HB3 TRP 2 HB1 TRP 2 16.984 2.280 -3.174
20 HD1 TRP 2 HD1 TRP 2 15.015 0.805 -2.211
21 HE1 TRP 2 HE1 TRP 2 12.695 0.181 -3.147
22 HE3 TRP 2 HE3 TRP 2 14.612 4.267 -5.942
23 HZ2 TRP 2 HZ2 TRP 2 10.905 1.040 -5.206
24 HZ3 TRP 2 HZ3 TRP 2 12.592 4.341 -7.376
25 HH2 TRP 2 HH2 TRP 2 10.739 2.733 -7.011
26 H CYS 3 HN CYS 3 13.981 4.510 -1.219
27 HA CYS 3 HA CYS 3 14.981 3.282 1.244
28 HB2 CYS 3 HB2 CYS 3 12.304 4.581 0.705
29 HB3 CYS 3 HB1 CYS 3 12.989 4.182 2.278
30 H PHE 4 HN PHE 4 13.876 1.588 2.325
31 HA PHE 4 HA PHE 4 12.366 -0.186 0.497
32 HB2 PHE 4 HB2 PHE 4 14.097 -0.816 2.895
33 HB3 PHE 4 HB1 PHE 4 13.118 -2.004 2.034
34 HD1 PHE 4 HD2 PHE 4 13.543 -2.406 -0.430
35 HD2 PHE 4 HD1 PHE 4 16.197 -0.097 2.035
36 HE1 PHE 4 HE2 PHE 4 15.340 -2.666 -2.120
37 HE2 PHE 4 HE1 PHE 4 17.993 -0.357 0.344
38 HZ PHE 4 HZ PHE 4 17.565 -1.641 -1.732
39 H ARG 5 HN ARG 5 10.272 -0.368 0.897
40 HA ARG 5 HA ARG 5 9.319 -0.461 3.664
41 HB2 ARG 5 HB2 ARG 5 7.417 1.133 2.930
42 HB3 ARG 5 HB1 ARG 5 8.983 1.839 3.330
43 HG2 ARG 5 HG2 ARG 5 9.585 1.844 0.923
44 HG3 ARG 5 HG1 ARG 5 7.997 1.185 0.538
45 HD2 ARG 5 HD2 ARG 5 8.468 3.803 1.983
46 HD3 ARG 5 HD1 ARG 5 8.118 3.661 0.263
47 HE ARG 5 HE ARG 5 6.235 3.320 2.452
48 HH11 ARG 5 HH21 ARG 5 7.012 2.739 -0.871
49 HH12 ARG 5 HH22 ARG 5 5.366 2.526 -1.362
50 HH21 ARG 5 HH11 ARG 5 4.073 3.042 1.814
51 HH22 ARG 5 HH12 ARG 5 3.700 2.698 0.158
52 H VAL 6 HN VAL 6 9.033 -2.701 3.018
53 HA VAL 6 HA VAL 6 6.580 -3.095 1.392
54 HB VAL 6 HB VAL 6 9.083 -4.790 1.485
55 HG11 VAL 6 HG11 VAL 6 6.318 -5.338 0.383
56 HG12 VAL 6 HG12 VAL 6 7.249 -6.328 1.508
57 HG13 VAL 6 HG13 VAL 6 7.749 -6.204 -0.175
58 HG21 VAL 6 HG21 VAL 6 7.630 -3.514 -0.852
59 HG22 VAL 6 HG22 VAL 6 9.208 -4.299 -0.877
60 HG23 VAL 6 HG23 VAL 6 9.000 -2.765 -0.034
61 H CYS 7 HN CYS 7 5.011 -4.278 2.298
62 HA CYS 7 HA CYS 7 5.382 -5.158 5.053
63 HB2 CYS 7 HB2 CYS 7 3.141 -4.377 3.351
64 HB3 CYS 7 HB1 CYS 7 2.785 -5.845 4.257
65 H TYR 8 HN TYR 8 5.165 -7.247 5.793
66 HA TYR 8 HA TYR 8 4.755 -9.403 3.839
67 HB2 TYR 8 HB2 TYR 8 7.243 -8.854 4.021
68 HB3 TYR 8 HB1 TYR 8 7.146 -9.432 5.685
69 HD1 TYR 8 HD1 TYR 8 6.590 -10.407 2.135
70 HD2 TYR 8 HD2 TYR 8 7.067 -11.762 6.181
71 HE1 TYR 8 HE1 TYR 8 6.761 -12.747 1.331
72 HE2 TYR 8 HE2 TYR 8 7.239 -14.100 5.380
73 HH TYR 8 HH TYR 8 7.853 -15.288 3.302
74 H ARG 9 HN ARG 9 5.754 -8.855 7.228
75 HA ARG 9 HA ARG 9 4.172 -11.121 8.119
76 HB2 ARG 9 HB2 ARG 9 5.817 -9.079 9.634
77 HB3 ARG 9 HB1 ARG 9 5.017 -10.468 10.371
78 HG2 ARG 9 HG2 ARG 9 6.308 -11.984 8.901
79 HG3 ARG 9 HG1 ARG 9 7.127 -10.590 8.199
80 HD2 ARG 9 HD2 ARG 9 7.170 -11.246 11.152
81 HD3 ARG 9 HD1 ARG 9 8.432 -11.736 10.026
82 HE ARG 9 HE ARG 9 7.945 -9.048 11.030
83 HH11 ARG 9 HH21 ARG 9 9.396 -11.072 8.627
84 HH12 ARG 9 HH22 ARG 9 10.592 -9.907 8.168
85 HH21 ARG 9 HH11 ARG 9 9.512 -7.515 10.434
86 HH22 ARG 9 HH12 ARG 9 10.657 -7.891 9.193
87 H GLY 10 HN GLY 10 2.999 -8.543 6.949
88 HA2 GLY 10 HA2 GLY 10 0.817 -7.713 7.263
89 HA3 GLY 10 HA1 GLY 10 0.843 -8.309 8.918
90 H ILE 11 HN ILE 11 3.730 -6.903 8.691
91 HA ILE 11 HA ILE 11 2.724 -4.211 9.447
92 HB ILE 11 HB ILE 11 5.053 -5.752 10.614
93 HG12 ILE 11 HG12 ILE 11 2.498 -4.798 11.937
94 HG13 ILE 11 HG11 ILE 11 2.698 -6.428 11.299
95 HG21 ILE 11 HG21 ILE 11 5.006 -3.746 12.220
96 HG22 ILE 11 HG22 ILE 11 4.011 -2.937 11.009
97 HG23 ILE 11 HG23 ILE 11 5.652 -3.444 10.608
98 HD11 ILE 11 HD11 ILE 11 4.732 -6.680 12.752
99 HD12 ILE 11 HD12 ILE 11 3.235 -6.474 13.663
100 HD13 ILE 11 HD13 ILE 11 4.349 -5.119 13.477
101 H CYS 12 HN CYS 12 3.551 -2.551 8.357
102 HA CYS 12 HA CYS 12 5.584 -3.063 6.330
103 HB2 CYS 12 HB2 CYS 12 3.839 -0.688 6.980
104 HB3 CYS 12 HB1 CYS 12 5.101 -0.633 5.750
105 H TYR 13 HN TYR 13 7.671 -2.813 6.727
106 HA TYR 13 HA TYR 13 8.509 -1.039 8.945
107 HB2 TYR 13 HB2 TYR 13 9.978 -3.279 7.544
108 HB3 TYR 13 HB1 TYR 13 10.640 -2.291 8.842
109 HD1 TYR 13 HD2 TYR 13 9.760 -2.449 11.132
110 HD2 TYR 13 HD1 TYR 13 8.250 -4.940 7.976
111 HE1 TYR 13 HE2 TYR 13 8.673 -3.918 12.809
112 HE2 TYR 13 HE1 TYR 13 7.163 -6.408 9.654
113 HH TYR 13 HH TYR 13 6.326 -6.190 12.017
114 H ARG 14 HN ARG 14 9.655 0.746 8.549
115 HA ARG 14 HA ARG 14 10.344 1.365 5.750
116 HB2 ARG 14 HB2 ARG 14 10.111 3.144 8.193
117 HB3 ARG 14 HB1 ARG 14 10.536 3.698 6.573
118 HG2 ARG 14 HG2 ARG 14 8.391 2.882 5.705
119 HG3 ARG 14 HG1 ARG 14 7.962 2.270 7.303
120 HD2 ARG 14 HD2 ARG 14 8.576 5.176 6.713
121 HD3 ARG 14 HD1 ARG 14 6.947 4.506 6.776
122 HE ARG 14 HE ARG 14 8.267 3.828 9.167
123 HH11 ARG 14 HH21 ARG 14 7.100 6.585 7.434
124 HH12 ARG 14 HH22 ARG 14 6.785 7.520 8.856
125 HH21 ARG 14 HH11 ARG 14 7.859 5.050 11.039
126 HH22 ARG 14 HH12 ARG 14 7.216 6.651 10.898
127 H ARG 15 HN ARG 15 12.399 1.604 5.083
128 HA ARG 15 HA ARG 15 14.556 2.033 6.999
129 HB2 ARG 15 HB2 ARG 15 14.255 -0.432 6.973
130 HB3 ARG 15 HB1 ARG 15 14.522 -0.423 5.230
131 HG2 ARG 15 HG2 ARG 15 16.760 0.551 5.567
132 HG3 ARG 15 HG1 ARG 15 16.494 0.569 7.310
133 HD2 ARG 15 HD2 ARG 15 16.429 -1.928 5.595
134 HD3 ARG 15 HD1 ARG 15 17.826 -1.402 6.531
135 HE ARG 15 HE ARG 15 15.387 -2.592 7.573
136 HH11 ARG 15 HH21 ARG 15 18.221 -0.701 8.182
137 HH12 ARG 15 HH22 ARG 15 18.250 -1.037 9.881
138 HH21 ARG 15 HH11 ARG 15 15.418 -3.037 9.800
139 HH22 ARG 15 HH12 ARG 15 16.662 -2.360 10.798
140 H CYS 16 HN CYS 16 15.875 3.481 6.133
141 HA CYS 16 HA CYS 16 16.501 3.365 3.264
142 HB2 CYS 16 HB2 CYS 16 14.529 5.007 3.898
143 HB3 CYS 16 HB1 CYS 16 15.849 6.053 4.417
144 H ARG 17 HN ARG 17 18.249 5.029 2.747
145 HA ARG 17 HA ARG 17 19.913 5.925 4.916
146 HB2 ARG 17 HB2 ARG 17 20.479 3.521 4.887
147 HB3 ARG 17 HB1 ARG 17 20.919 3.657 3.183
148 HG2 ARG 17 HG2 ARG 17 22.665 5.288 3.740
149 HG3 ARG 17 HG1 ARG 17 22.205 5.218 5.441
150 HD2 ARG 17 HD2 ARG 17 22.710 2.754 5.393
151 HD3 ARG 17 HD1 ARG 17 23.338 2.967 3.761
152 HE ARG 17 HE ARG 17 24.541 4.762 5.669
153 HH11 ARG 17 HH21 ARG 17 24.553 1.577 4.319
154 HH12 ARG 17 HH22 ARG 17 26.221 1.280 4.680
155 HH21 ARG 17 HH11 ARG 17 26.730 4.380 6.146
156 HH22 ARG 17 HH12 ARG 17 27.453 2.868 5.714
157 HN1 NH2 18 HN1 NH2 18 19.297 5.551 1.478
158 HN2 NH2 18 HN2 NH2 18 20.320 6.809 0.976
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 19.970 7.851 -3.379
2 H2 LYS 1 HT2 LYS 1 20.282 9.381 -2.711
3 H3 LYS 1 HT3 LYS 1 18.859 9.113 -3.601
4 HA LYS 1 HA LYS 1 19.516 7.740 -1.054
5 HB2 LYS 1 HB2 LYS 1 19.182 10.211 -0.802
6 HB3 LYS 1 HB1 LYS 1 17.592 10.031 -1.547
7 HG2 LYS 1 HG2 LYS 1 16.888 8.518 0.241
8 HG3 LYS 1 HG1 LYS 1 18.493 8.595 0.966
9 HD2 LYS 1 HD2 LYS 1 18.220 11.027 1.314
10 HD3 LYS 1 HD1 LYS 1 16.607 10.942 0.604
11 HE2 LYS 1 HE2 LYS 1 15.899 9.385 2.378
12 HE3 LYS 1 HE1 LYS 1 17.512 9.452 3.086
13 HZ1 LYS 1 HZ1 LYS 1 15.452 11.096 3.709
14 HZ2 LYS 1 HZ2 LYS 1 16.358 12.043 2.628
15 HZ3 LYS 1 HZ3 LYS 1 17.088 11.411 4.028
16 H TRP 2 HN TRP 2 18.753 5.752 -1.750
17 HA TRP 2 HA TRP 2 15.964 5.658 -2.748
18 HB2 TRP 2 HB2 TRP 2 18.140 3.561 -2.919
19 HB3 TRP 2 HB1 TRP 2 16.515 3.430 -3.590
20 HD1 TRP 2 HD1 TRP 2 15.921 5.767 -5.214
21 HE1 TRP 2 HE1 TRP 2 17.399 6.659 -7.129
22 HE3 TRP 2 HE3 TRP 2 20.393 3.664 -3.928
23 HZ2 TRP 2 HZ2 TRP 2 20.119 6.500 -7.999
24 HZ3 TRP 2 HZ3 TRP 2 22.409 4.051 -5.317
25 HH2 TRP 2 HH2 TRP 2 22.279 5.465 -7.349
26 H CYS 3 HN CYS 3 14.449 4.436 -1.704
27 HA CYS 3 HA CYS 3 15.278 3.116 0.818
28 HB2 CYS 3 HB2 CYS 3 14.032 5.418 0.953
29 HB3 CYS 3 HB1 CYS 3 12.609 4.456 0.566
30 H PHE 4 HN PHE 4 13.856 1.418 1.539
31 HA PHE 4 HA PHE 4 12.150 0.266 -0.591
32 HB2 PHE 4 HB2 PHE 4 14.201 -1.204 1.080
33 HB3 PHE 4 HB1 PHE 4 13.027 -1.974 0.014
34 HD1 PHE 4 HD2 PHE 4 13.150 -1.668 -2.435
35 HD2 PHE 4 HD1 PHE 4 16.112 -0.006 0.197
36 HE1 PHE 4 HE2 PHE 4 14.663 -1.301 -4.366
37 HE2 PHE 4 HE1 PHE 4 17.623 0.361 -1.735
38 HZ PHE 4 HZ PHE 4 16.898 -0.286 -4.016
39 H ARG 5 HN ARG 5 10.453 -1.078 0.148
40 HA ARG 5 HA ARG 5 9.957 -1.131 3.048
41 HB2 ARG 5 HB2 ARG 5 7.637 -0.338 2.690
42 HB3 ARG 5 HB1 ARG 5 8.833 0.893 2.277
43 HG2 ARG 5 HG2 ARG 5 8.653 0.271 -0.107
44 HG3 ARG 5 HG1 ARG 5 7.444 -0.945 0.304
45 HD2 ARG 5 HD2 ARG 5 6.304 1.061 -0.452
46 HD3 ARG 5 HD1 ARG 5 6.013 0.848 1.273
47 HE ARG 5 HE ARG 5 8.294 2.495 0.872
48 HH11 ARG 5 HH21 ARG 5 4.846 2.442 0.594
49 HH12 ARG 5 HH22 ARG 5 4.662 4.146 0.851
50 HH21 ARG 5 HH11 ARG 5 8.061 4.728 1.211
51 HH22 ARG 5 HH12 ARG 5 6.482 5.438 1.201
52 H VAL 6 HN VAL 6 8.904 -2.933 3.724
53 HA VAL 6 HA VAL 6 7.560 -4.647 1.754
54 HB VAL 6 HB VAL 6 9.825 -5.495 1.707
55 HG11 VAL 6 HG11 VAL 6 10.574 -4.489 3.843
56 HG12 VAL 6 HG12 VAL 6 10.963 -6.208 3.769
57 HG13 VAL 6 HG13 VAL 6 9.590 -5.655 4.727
58 HG21 VAL 6 HG21 VAL 6 7.805 -7.076 1.920
59 HG22 VAL 6 HG22 VAL 6 8.298 -7.295 3.598
60 HG23 VAL 6 HG23 VAL 6 9.387 -7.762 2.291
61 H CYS 7 HN CYS 7 5.893 -5.791 2.599
62 HA CYS 7 HA CYS 7 5.373 -5.445 5.494
63 HB2 CYS 7 HB2 CYS 7 3.543 -5.668 3.112
64 HB3 CYS 7 HB1 CYS 7 2.967 -5.942 4.756
65 H TYR 8 HN TYR 8 5.208 -7.193 6.753
66 HA TYR 8 HA TYR 8 5.384 -9.843 5.468
67 HB2 TYR 8 HB2 TYR 8 6.095 -8.828 8.219
68 HB3 TYR 8 HB1 TYR 8 5.976 -10.551 7.859
69 HD1 TYR 8 HD2 TYR 8 7.484 -11.598 6.188
70 HD2 TYR 8 HD1 TYR 8 7.915 -7.491 7.369
71 HE1 TYR 8 HE2 TYR 8 9.760 -11.555 5.204
72 HE2 TYR 8 HE1 TYR 8 10.192 -7.450 6.383
73 HH TYR 8 HH TYR 8 12.019 -9.652 5.887
74 H ARG 9 HN ARG 9 2.887 -8.695 5.328
75 HA ARG 9 HA ARG 9 0.675 -9.024 5.856
76 HB2 ARG 9 HB2 ARG 9 1.720 -11.665 6.904
77 HB3 ARG 9 HB1 ARG 9 0.064 -11.315 6.421
78 HG2 ARG 9 HG2 ARG 9 2.352 -10.921 4.487
79 HG3 ARG 9 HG1 ARG 9 1.614 -12.501 4.700
80 HD2 ARG 9 HD2 ARG 9 -0.619 -11.461 4.221
81 HD3 ARG 9 HD1 ARG 9 0.210 -9.953 3.858
82 HE ARG 9 HE ARG 9 1.347 -12.031 2.318
83 HH11 ARG 9 HH21 ARG 9 -1.536 -10.152 2.676
84 HH12 ARG 9 HH22 ARG 9 -1.978 -10.259 1.004
85 HH21 ARG 9 HH11 ARG 9 0.775 -12.173 0.125
86 HH22 ARG 9 HH12 ARG 9 -0.669 -11.402 -0.440
87 H GLY 10 HN GLY 10 1.534 -7.340 7.616
88 HA2 GLY 10 HA2 GLY 10 0.017 -7.144 9.728
89 HA3 GLY 10 HA1 GLY 10 1.101 -8.396 10.328
90 H ILE 11 HN ILE 11 3.504 -7.517 9.189
91 HA ILE 11 HA ILE 11 3.968 -5.035 10.745
92 HB ILE 11 HB ILE 11 5.898 -7.241 9.990
93 HG12 ILE 11 HG12 ILE 11 4.812 -6.456 12.710
94 HG13 ILE 11 HG11 ILE 11 4.152 -7.776 11.746
95 HG21 ILE 11 HG21 ILE 11 6.202 -4.683 11.585
96 HG22 ILE 11 HG22 ILE 11 7.068 -5.137 10.120
97 HG23 ILE 11 HG23 ILE 11 7.376 -5.997 11.625
98 HD11 ILE 11 HD11 ILE 11 7.000 -7.544 12.759
99 HD12 ILE 11 HD12 ILE 11 6.413 -8.826 11.699
100 HD13 ILE 11 HD13 ILE 11 5.773 -8.674 13.335
101 H CYS 12 HN CYS 12 4.416 -3.262 9.635
102 HA CYS 12 HA CYS 12 5.671 -3.525 6.960
103 HB2 CYS 12 HB2 CYS 12 3.434 -1.667 7.797
104 HB3 CYS 12 HB1 CYS 12 4.325 -1.534 6.281
105 H TYR 13 HN TYR 13 7.406 -2.279 6.617
106 HA TYR 13 HA TYR 13 7.836 0.190 8.056
107 HB2 TYR 13 HB2 TYR 13 9.889 -0.480 9.172
108 HB3 TYR 13 HB1 TYR 13 8.567 -1.512 9.716
109 HD1 TYR 13 HD2 TYR 13 8.266 -3.793 8.630
110 HD2 TYR 13 HD1 TYR 13 11.790 -1.400 8.087
111 HE1 TYR 13 HE2 TYR 13 9.507 -5.797 7.866
112 HE2 TYR 13 HE1 TYR 13 13.032 -3.405 7.319
113 HH TYR 13 HH TYR 13 12.681 -5.564 6.456
114 H ARG 14 HN ARG 14 9.984 1.162 7.436
115 HA ARG 14 HA ARG 14 10.968 0.181 4.830
116 HB2 ARG 14 HB2 ARG 14 10.929 2.488 3.955
117 HB3 ARG 14 HB1 ARG 14 9.307 1.910 4.335
118 HG2 ARG 14 HG2 ARG 14 9.394 3.078 6.506
119 HG3 ARG 14 HG1 ARG 14 11.014 3.664 6.129
120 HD2 ARG 14 HD2 ARG 14 10.121 4.830 4.139
121 HD3 ARG 14 HD1 ARG 14 8.503 4.270 4.544
122 HE ARG 14 HE ARG 14 10.001 6.381 5.884
123 HH11 ARG 14 HH21 ARG 14 7.368 4.136 5.943
124 HH12 ARG 14 HH22 ARG 14 6.455 5.024 7.117
125 HH21 ARG 14 HH11 ARG 14 8.808 7.552 7.423
126 HH22 ARG 14 HH12 ARG 14 7.271 6.960 7.953
127 H ARG 15 HN ARG 15 13.074 0.949 4.267
128 HA ARG 15 HA ARG 15 14.601 2.208 6.461
129 HB2 ARG 15 HB2 ARG 15 14.877 -0.259 6.612
130 HB3 ARG 15 HB1 ARG 15 15.494 -0.265 4.960
131 HG2 ARG 15 HG2 ARG 15 17.304 1.295 5.655
132 HG3 ARG 15 HG1 ARG 15 16.705 1.220 7.311
133 HD2 ARG 15 HD2 ARG 15 17.639 -1.169 5.697
134 HD3 ARG 15 HD1 ARG 15 18.608 -0.337 6.910
135 HE ARG 15 HE ARG 15 16.374 -2.135 7.404
136 HH11 ARG 15 HH21 ARG 15 18.460 0.359 8.587
137 HH12 ARG 15 HH22 ARG 15 18.205 -0.029 10.256
138 HH21 ARG 15 HH11 ARG 15 16.034 -2.649 9.590
139 HH22 ARG 15 HH12 ARG 15 16.832 -1.733 10.824
140 H CYS 16 HN CYS 16 15.549 3.955 5.668
141 HA CYS 16 HA CYS 16 16.381 3.963 2.821
142 HB2 CYS 16 HB2 CYS 16 15.987 6.456 4.450
143 HB3 CYS 16 HB1 CYS 16 15.890 6.235 2.704
144 H ARG 17 HN ARG 17 18.416 4.701 2.282
145 HA ARG 17 HA ARG 17 20.233 5.846 4.161
146 HB2 ARG 17 HB2 ARG 17 21.806 3.940 4.295
147 HB3 ARG 17 HB1 ARG 17 20.264 3.581 5.073
148 HG2 ARG 17 HG2 ARG 17 19.507 2.400 3.047
149 HG3 ARG 17 HG1 ARG 17 21.044 2.757 2.259
150 HD2 ARG 17 HD2 ARG 17 20.821 1.229 4.861
151 HD3 ARG 17 HD1 ARG 17 20.906 0.453 3.283
152 HE ARG 17 HE ARG 17 23.063 2.234 3.470
153 HH11 ARG 17 HH21 ARG 17 21.848 -0.639 4.969
154 HH12 ARG 17 HH22 ARG 17 23.413 -1.242 5.396
155 HH21 ARG 17 HH11 ARG 17 25.119 1.448 4.028
156 HH22 ARG 17 HH12 ARG 17 25.266 -0.061 4.864
157 HN1 NH2 18 HN1 NH2 18 19.378 6.376 1.411
158 HN2 NH2 18 HN2 NH2 18 20.766 6.268 0.439
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 19.845 8.598 -3.632
2 H2 LYS 1 HT2 LYS 1 20.216 9.502 -2.243
3 H3 LYS 1 HT3 LYS 1 18.614 9.417 -2.800
4 HA LYS 1 HA LYS 1 19.981 6.917 -2.124
5 HB2 LYS 1 HB2 LYS 1 19.242 7.202 0.244
6 HB3 LYS 1 HB1 LYS 1 20.501 8.350 -0.214
7 HG2 LYS 1 HG2 LYS 1 18.768 10.064 -0.650
8 HG3 LYS 1 HG1 LYS 1 17.523 8.921 -0.146
9 HD2 LYS 1 HD2 LYS 1 18.566 8.766 2.087
10 HD3 LYS 1 HD1 LYS 1 19.802 9.921 1.585
11 HE2 LYS 1 HE2 LYS 1 18.063 11.621 1.186
12 HE3 LYS 1 HE1 LYS 1 16.820 10.468 1.672
13 HZ1 LYS 1 HZ1 LYS 1 18.061 10.287 3.830
14 HZ2 LYS 1 HZ2 LYS 1 17.290 11.775 3.554
15 HZ3 LYS 1 HZ3 LYS 1 18.969 11.633 3.343
16 H TRP 2 HN TRP 2 18.499 5.279 -2.030
17 HA TRP 2 HA TRP 2 15.664 6.020 -2.490
18 HB2 TRP 2 HB2 TRP 2 16.988 3.449 -3.348
19 HB3 TRP 2 HB1 TRP 2 15.423 4.087 -3.849
20 HD1 TRP 2 HD1 TRP 2 15.742 6.752 -4.958
21 HE1 TRP 2 HE1 TRP 2 17.394 7.394 -6.832
22 HE3 TRP 2 HE3 TRP 2 19.073 2.902 -4.556
23 HZ2 TRP 2 HZ2 TRP 2 19.807 6.407 -8.005
24 HZ3 TRP 2 HZ3 TRP 2 21.038 2.777 -6.064
25 HH2 TRP 2 HH2 TRP 2 21.409 4.523 -7.786
26 H CYS 3 HN CYS 3 14.067 4.875 -1.409
27 HA CYS 3 HA CYS 3 15.010 3.138 0.808
28 HB2 CYS 3 HB2 CYS 3 14.119 5.449 1.434
29 HB3 CYS 3 HB1 CYS 3 12.542 4.866 0.903
30 H PHE 4 HN PHE 4 13.659 1.410 1.407
31 HA PHE 4 HA PHE 4 11.452 0.758 -0.444
32 HB2 PHE 4 HB2 PHE 4 13.721 -1.101 0.308
33 HB3 PHE 4 HB1 PHE 4 12.279 -1.567 -0.595
34 HD1 PHE 4 HD2 PHE 4 11.817 -0.520 -2.835
35 HD2 PHE 4 HD1 PHE 4 15.530 0.052 -0.749
36 HE1 PHE 4 HE2 PHE 4 12.879 0.257 -4.937
37 HE2 PHE 4 HE1 PHE 4 16.590 0.830 -2.851
38 HZ PHE 4 HZ PHE 4 15.266 0.931 -4.946
39 H ARG 5 HN ARG 5 9.854 -0.582 0.424
40 HA ARG 5 HA ARG 5 10.110 -1.379 3.245
41 HB2 ARG 5 HB2 ARG 5 7.854 -0.397 3.711
42 HB3 ARG 5 HB1 ARG 5 9.106 0.809 3.413
43 HG2 ARG 5 HG2 ARG 5 8.361 1.034 1.083
44 HG3 ARG 5 HG1 ARG 5 7.132 -0.202 1.346
45 HD2 ARG 5 HD2 ARG 5 6.139 2.038 1.525
46 HD3 ARG 5 HD1 ARG 5 6.082 1.209 3.079
47 HE ARG 5 HE ARG 5 7.634 2.748 3.918
48 HH11 ARG 5 HH21 ARG 5 7.248 3.023 0.492
49 HH12 ARG 5 HH22 ARG 5 8.116 4.516 0.374
50 HH21 ARG 5 HH11 ARG 5 8.774 4.706 3.773
51 HH22 ARG 5 HH12 ARG 5 8.981 5.470 2.233
52 H VAL 6 HN VAL 6 8.861 -3.135 3.805
53 HA VAL 6 HA VAL 6 7.000 -4.232 1.811
54 HB VAL 6 HB VAL 6 9.084 -5.311 1.239
55 HG11 VAL 6 HG11 VAL 6 10.287 -4.835 3.339
56 HG12 VAL 6 HG12 VAL 6 10.383 -6.551 2.936
57 HG13 VAL 6 HG13 VAL 6 9.269 -5.998 4.188
58 HG21 VAL 6 HG21 VAL 6 8.422 -7.588 1.494
59 HG22 VAL 6 HG22 VAL 6 6.916 -6.670 1.508
60 HG23 VAL 6 HG23 VAL 6 7.606 -7.258 3.021
61 H CYS 7 HN CYS 7 5.343 -5.398 2.686
62 HA CYS 7 HA CYS 7 5.274 -5.556 5.646
63 HB2 CYS 7 HB2 CYS 7 2.793 -5.692 3.973
64 HB3 CYS 7 HB1 CYS 7 3.019 -5.054 5.602
65 H TYR 8 HN TYR 8 5.488 -7.532 6.434
66 HA TYR 8 HA TYR 8 4.773 -9.844 4.746
67 HB2 TYR 8 HB2 TYR 8 6.483 -9.654 7.236
68 HB3 TYR 8 HB1 TYR 8 6.141 -11.141 6.353
69 HD1 TYR 8 HD2 TYR 8 6.611 -11.037 3.748
70 HD2 TYR 8 HD1 TYR 8 8.390 -8.427 6.659
71 HE1 TYR 8 HE2 TYR 8 8.457 -10.533 2.168
72 HE2 TYR 8 HE1 TYR 8 10.236 -7.926 5.083
73 HH TYR 8 HH TYR 8 11.312 -8.897 3.144
74 H ARG 9 HN ARG 9 4.888 -9.469 8.276
75 HA ARG 9 HA ARG 9 2.482 -11.032 8.567
76 HB2 ARG 9 HB2 ARG 9 4.442 -9.734 10.440
77 HB3 ARG 9 HB1 ARG 9 2.883 -10.275 11.062
78 HG2 ARG 9 HG2 ARG 9 4.539 -12.061 11.311
79 HG3 ARG 9 HG1 ARG 9 3.312 -12.537 10.136
80 HD2 ARG 9 HD2 ARG 9 5.825 -11.163 9.209
81 HD3 ARG 9 HD1 ARG 9 5.838 -12.889 9.547
82 HE ARG 9 HE ARG 9 4.657 -11.618 7.273
83 HH11 ARG 9 HH21 ARG 9 4.327 -14.220 9.529
84 HH12 ARG 9 HH22 ARG 9 3.450 -15.239 8.438
85 HH21 ARG 9 HH11 ARG 9 3.505 -12.946 5.837
86 HH22 ARG 9 HH12 ARG 9 2.983 -14.518 6.347
87 H GLY 10 HN GLY 10 2.495 -8.278 7.266
88 HA2 GLY 10 HA2 GLY 10 0.561 -6.902 7.057
89 HA3 GLY 10 HA1 GLY 10 0.148 -7.261 8.730
90 H ILE 11 HN ILE 11 3.335 -6.771 8.915
91 HA ILE 11 HA ILE 11 3.005 -3.890 9.521
92 HB ILE 11 HB ILE 11 5.054 -5.865 10.556
93 HG12 ILE 11 HG12 ILE 11 2.743 -4.558 12.016
94 HG13 ILE 11 HG11 ILE 11 2.647 -6.175 11.319
95 HG21 ILE 11 HG21 ILE 11 6.026 -3.689 10.592
96 HG22 ILE 11 HG22 ILE 11 5.396 -3.939 12.221
97 HG23 ILE 11 HG23 ILE 11 4.505 -2.936 11.076
98 HD11 ILE 11 HD11 ILE 11 3.299 -6.061 13.789
99 HD12 ILE 11 HD12 ILE 11 4.832 -5.377 13.249
100 HD13 ILE 11 HD13 ILE 11 4.368 -7.003 12.749
101 H CYS 12 HN CYS 12 3.959 -2.487 8.218
102 HA CYS 12 HA CYS 12 5.944 -3.428 6.275
103 HB2 CYS 12 HB2 CYS 12 4.792 -0.649 6.471
104 HB3 CYS 12 HB1 CYS 12 5.502 -1.446 5.067
105 H TYR 13 HN TYR 13 8.062 -3.065 6.476
106 HA TYR 13 HA TYR 13 8.958 -1.198 8.599
107 HB2 TYR 13 HB2 TYR 13 10.416 -3.526 7.334
108 HB3 TYR 13 HB1 TYR 13 11.036 -2.497 8.621
109 HD1 TYR 13 HD2 TYR 13 10.025 -2.546 10.877
110 HD2 TYR 13 HD1 TYR 13 8.719 -5.203 7.765
111 HE1 TYR 13 HE2 TYR 13 8.878 -3.957 12.563
112 HE2 TYR 13 HE1 TYR 13 7.570 -6.614 9.452
113 HH TYR 13 HH TYR 13 7.584 -5.725 12.905
114 H ARG 14 HN ARG 14 10.107 0.533 8.060
115 HA ARG 14 HA ARG 14 10.678 1.033 5.239
116 HB2 ARG 14 HB2 ARG 14 10.839 2.826 7.673
117 HB3 ARG 14 HB1 ARG 14 11.167 3.342 6.017
118 HG2 ARG 14 HG2 ARG 14 8.878 2.692 5.360
119 HG3 ARG 14 HG1 ARG 14 8.547 2.182 7.016
120 HD2 ARG 14 HD2 ARG 14 9.382 4.988 6.243
121 HD3 ARG 14 HD1 ARG 14 7.712 4.489 6.489
122 HE ARG 14 HE ARG 14 9.202 3.770 8.769
123 HH11 ARG 14 HH21 ARG 14 8.088 6.553 7.043
124 HH12 ARG 14 HH22 ARG 14 7.988 7.558 8.450
125 HH21 ARG 14 HH11 ARG 14 9.076 5.082 10.618
126 HH22 ARG 14 HH12 ARG 14 8.548 6.725 10.475
127 H ARG 15 HN ARG 15 12.690 1.261 4.387
128 HA ARG 15 HA ARG 15 15.019 1.108 6.197
129 HB2 ARG 15 HB2 ARG 15 14.463 -0.697 3.835
130 HB3 ARG 15 HB1 ARG 15 16.053 -0.524 4.579
131 HG2 ARG 15 HG2 ARG 15 15.127 -1.239 6.748
132 HG3 ARG 15 HG1 ARG 15 13.531 -1.403 6.015
133 HD2 ARG 15 HD2 ARG 15 14.399 -3.113 4.474
134 HD3 ARG 15 HD1 ARG 15 16.004 -2.938 5.174
135 HE ARG 15 HE ARG 15 15.279 -4.121 7.066
136 HH11 ARG 15 HH21 ARG 15 12.681 -3.352 4.911
137 HH12 ARG 15 HH22 ARG 15 11.545 -4.405 5.683
138 HH21 ARG 15 HH11 ARG 15 13.792 -5.505 8.084
139 HH22 ARG 15 HH12 ARG 15 12.173 -5.624 7.480
140 H CYS 16 HN CYS 16 15.340 3.329 5.725
141 HA CYS 16 HA CYS 16 16.092 3.938 2.925
142 HB2 CYS 16 HB2 CYS 16 15.679 6.004 5.071
143 HB3 CYS 16 HB1 CYS 16 15.545 6.173 3.321
144 H ARG 17 HN ARG 17 18.036 5.012 2.493
145 HA ARG 17 HA ARG 17 19.925 5.593 4.591
146 HB2 ARG 17 HB2 ARG 17 20.121 3.122 4.419
147 HB3 ARG 17 HB1 ARG 17 20.533 3.300 2.714
148 HG2 ARG 17 HG2 ARG 17 22.503 4.631 3.296
149 HG3 ARG 17 HG1 ARG 17 22.078 4.548 5.004
150 HD2 ARG 17 HD2 ARG 17 22.219 2.034 4.830
151 HD3 ARG 17 HD1 ARG 17 22.859 2.243 3.202
152 HE ARG 17 HE ARG 17 24.397 3.811 4.961
153 HH11 ARG 17 HH21 ARG 17 23.650 0.507 4.261
154 HH12 ARG 17 HH22 ARG 17 25.180 -0.099 4.799
155 HH21 ARG 17 HH11 ARG 17 26.407 3.026 5.671
156 HH22 ARG 17 HH12 ARG 17 26.741 1.328 5.597
157 HN1 NH2 18 HN1 NH2 18 20.926 4.467 1.387
158 HN2 NH2 18 HN2 NH2 18 21.310 6.005 0.785
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 20.208 9.135 -2.368
2 H2 LYS 1 HT2 LYS 1 18.920 8.484 -3.262
3 H3 LYS 1 HT3 LYS 1 20.287 7.535 -2.921
4 HA LYS 1 HA LYS 1 19.646 7.061 -0.831
5 HB2 LYS 1 HB2 LYS 1 18.327 9.790 -0.845
6 HB3 LYS 1 HB1 LYS 1 18.286 8.682 0.526
7 HG2 LYS 1 HG2 LYS 1 20.752 8.693 0.615
8 HG3 LYS 1 HG1 LYS 1 20.796 9.804 -0.755
9 HD2 LYS 1 HD2 LYS 1 19.563 11.486 0.540
10 HD3 LYS 1 HD1 LYS 1 19.459 10.374 1.906
11 HE2 LYS 1 HE2 LYS 1 21.307 11.943 2.258
12 HE3 LYS 1 HE1 LYS 1 21.942 10.315 2.017
13 HZ1 LYS 1 HZ1 LYS 1 22.793 10.840 0.001
14 HZ2 LYS 1 HZ2 LYS 1 22.861 12.389 0.693
15 HZ3 LYS 1 HZ3 LYS 1 21.588 11.979 -0.354
16 H TRP 2 HN TRP 2 18.457 5.370 -1.694
17 HA TRP 2 HA TRP 2 15.605 5.891 -2.308
18 HB2 TRP 2 HB2 TRP 2 17.208 3.424 -2.997
19 HB3 TRP 2 HB1 TRP 2 15.615 3.880 -3.601
20 HD1 TRP 2 HD1 TRP 2 15.729 6.546 -4.761
21 HE1 TRP 2 HE1 TRP 2 17.403 7.297 -6.574
22 HE3 TRP 2 HE3 TRP 2 19.376 3.046 -4.088
23 HZ2 TRP 2 HZ2 TRP 2 19.956 6.511 -7.602
24 HZ3 TRP 2 HZ3 TRP 2 21.420 3.066 -5.492
25 HH2 TRP 2 HH2 TRP 2 21.713 4.793 -7.247
26 H CYS 3 HN CYS 3 14.033 4.816 -1.228
27 HA CYS 3 HA CYS 3 14.873 3.075 1.026
28 HB2 CYS 3 HB2 CYS 3 13.833 5.459 1.456
29 HB3 CYS 3 HB1 CYS 3 12.312 4.644 1.097
30 H PHE 4 HN PHE 4 13.253 1.493 1.685
31 HA PHE 4 HA PHE 4 11.462 0.624 -0.516
32 HB2 PHE 4 HB2 PHE 4 13.259 -1.120 1.191
33 HB3 PHE 4 HB1 PHE 4 12.085 -1.705 0.012
34 HD1 PHE 4 HD2 PHE 4 12.353 -1.079 -2.420
35 HD2 PHE 4 HD1 PHE 4 15.400 -0.328 0.512
36 HE1 PHE 4 HE2 PHE 4 14.023 -0.785 -4.230
37 HE2 PHE 4 HE1 PHE 4 17.070 -0.034 -1.297
38 HZ PHE 4 HZ PHE 4 16.381 -0.262 -3.669
39 H ARG 5 HN ARG 5 9.564 -0.415 0.138
40 HA ARG 5 HA ARG 5 8.999 -0.530 3.035
41 HB2 ARG 5 HB2 ARG 5 8.208 1.666 2.189
42 HB3 ARG 5 HB1 ARG 5 7.206 0.823 1.007
43 HG2 ARG 5 HG2 ARG 5 5.956 -0.277 2.784
44 HG3 ARG 5 HG1 ARG 5 7.010 0.435 4.007
45 HD2 ARG 5 HD2 ARG 5 4.951 1.740 3.863
46 HD3 ARG 5 HD1 ARG 5 6.298 2.699 3.255
47 HE ARG 5 HE ARG 5 5.387 2.561 1.099
48 HH11 ARG 5 HH21 ARG 5 3.735 0.506 3.348
49 HH12 ARG 5 HH22 ARG 5 2.412 0.176 2.280
50 HH21 ARG 5 HH11 ARG 5 3.657 2.125 -0.302
51 HH22 ARG 5 HH12 ARG 5 2.367 1.092 0.216
52 H VAL 6 HN VAL 6 9.006 -2.774 2.912
53 HA VAL 6 HA VAL 6 6.736 -3.975 1.416
54 HB VAL 6 HB VAL 6 9.501 -5.094 1.932
55 HG11 VAL 6 HG11 VAL 6 8.542 -7.093 0.644
56 HG12 VAL 6 HG12 VAL 6 6.951 -6.426 1.001
57 HG13 VAL 6 HG13 VAL 6 8.015 -6.920 2.317
58 HG21 VAL 6 HG21 VAL 6 7.966 -4.719 -0.653
59 HG22 VAL 6 HG22 VAL 6 9.660 -5.170 -0.477
60 HG23 VAL 6 HG23 VAL 6 9.130 -3.548 -0.033
61 H CYS 7 HN CYS 7 5.328 -5.080 2.625
62 HA CYS 7 HA CYS 7 5.780 -5.245 5.507
63 HB2 CYS 7 HB2 CYS 7 3.314 -6.162 4.035
64 HB3 CYS 7 HB1 CYS 7 3.455 -5.568 5.692
65 H TYR 8 HN TYR 8 6.213 -7.089 6.602
66 HA TYR 8 HA TYR 8 6.557 -9.567 5.053
67 HB2 TYR 8 HB2 TYR 8 7.456 -8.743 7.824
68 HB3 TYR 8 HB1 TYR 8 7.720 -10.346 7.138
69 HD1 TYR 8 HD1 TYR 8 8.602 -6.772 6.916
70 HD2 TYR 8 HD2 TYR 8 9.280 -10.694 5.302
71 HE1 TYR 8 HE1 TYR 8 10.611 -5.935 5.725
72 HE2 TYR 8 HE2 TYR 8 11.287 -9.858 4.111
73 HH TYR 8 HH TYR 8 12.478 -6.567 4.607
74 H ARG 9 HN ARG 9 5.687 -9.143 8.459
75 HA ARG 9 HA ARG 9 3.528 -11.122 8.122
76 HB2 ARG 9 HB2 ARG 9 4.969 -10.116 10.586
77 HB3 ARG 9 HB1 ARG 9 3.635 -11.272 10.609
78 HG2 ARG 9 HG2 ARG 9 4.918 -12.829 9.226
79 HG3 ARG 9 HG1 ARG 9 6.239 -11.666 9.107
80 HD2 ARG 9 HD2 ARG 9 6.774 -13.301 10.830
81 HD3 ARG 9 HD1 ARG 9 6.478 -11.737 11.584
82 HE ARG 9 HE ARG 9 4.523 -12.602 12.543
83 HH11 ARG 9 HH21 ARG 9 5.906 -14.769 10.223
84 HH12 ARG 9 HH22 ARG 9 4.903 -16.109 10.674
85 HH21 ARG 9 HH11 ARG 9 3.205 -14.355 13.136
86 HH22 ARG 9 HH12 ARG 9 3.375 -15.874 12.322
87 H GLY 10 HN GLY 10 2.966 -8.613 7.126
88 HA2 GLY 10 HA2 GLY 10 1.033 -7.302 7.151
89 HA3 GLY 10 HA1 GLY 10 0.691 -7.866 8.785
90 H ILE 11 HN ILE 11 3.861 -7.021 8.781
91 HA ILE 11 HA ILE 11 3.288 -4.348 9.914
92 HB ILE 11 HB ILE 11 5.747 -6.098 10.185
93 HG12 ILE 11 HG12 ILE 11 3.603 -5.509 12.243
94 HG13 ILE 11 HG11 ILE 11 3.598 -6.961 11.240
95 HG21 ILE 11 HG21 ILE 11 6.349 -3.798 10.498
96 HG22 ILE 11 HG22 ILE 11 6.164 -4.484 12.111
97 HG23 ILE 11 HG23 ILE 11 4.887 -3.477 11.431
98 HD11 ILE 11 HD11 ILE 11 4.684 -7.266 13.502
99 HD12 ILE 11 HD12 ILE 11 5.940 -6.141 12.980
100 HD13 ILE 11 HD13 ILE 11 5.722 -7.675 12.136
101 H CYS 12 HN CYS 12 3.621 -2.711 8.569
102 HA CYS 12 HA CYS 12 5.627 -2.962 6.409
103 HB2 CYS 12 HB2 CYS 12 3.515 -0.824 6.735
104 HB3 CYS 12 HB1 CYS 12 4.432 -1.229 5.283
105 H TYR 13 HN TYR 13 7.405 -1.722 6.372
106 HA TYR 13 HA TYR 13 7.580 0.709 7.976
107 HB2 TYR 13 HB2 TYR 13 8.232 -1.098 9.548
108 HB3 TYR 13 HB1 TYR 13 9.489 -1.602 8.419
109 HD1 TYR 13 HD1 TYR 13 8.260 1.388 10.302
110 HD2 TYR 13 HD2 TYR 13 11.623 -0.600 8.513
111 HE1 TYR 13 HE1 TYR 13 9.778 3.106 11.245
112 HE2 TYR 13 HE2 TYR 13 13.141 1.121 9.456
113 HH TYR 13 HH TYR 13 11.910 3.681 11.594
114 H ARG 14 HN ARG 14 9.257 2.079 7.326
115 HA ARG 14 HA ARG 14 10.262 1.557 4.627
116 HB2 ARG 14 HB2 ARG 14 10.329 4.005 6.408
117 HB3 ARG 14 HB1 ARG 14 11.032 3.940 4.792
118 HG2 ARG 14 HG2 ARG 14 8.838 3.392 3.835
119 HG3 ARG 14 HG1 ARG 14 8.121 3.390 5.447
120 HD2 ARG 14 HD2 ARG 14 8.712 5.761 5.727
121 HD3 ARG 14 HD1 ARG 14 9.457 5.772 4.131
122 HE ARG 14 HE ARG 14 6.813 4.884 3.831
123 HH11 ARG 14 HH21 ARG 14 8.580 7.687 4.823
124 HH12 ARG 14 HH22 ARG 14 7.365 8.807 4.303
125 HH21 ARG 14 HH11 ARG 14 5.217 6.343 3.145
126 HH22 ARG 14 HH12 ARG 14 5.459 8.045 3.352
127 H ARG 15 HN ARG 15 12.321 1.052 4.160
128 HA ARG 15 HA ARG 15 14.343 1.166 6.338
129 HB2 ARG 15 HB2 ARG 15 13.991 -0.891 4.147
130 HB3 ARG 15 HB1 ARG 15 15.378 -0.814 5.234
131 HG2 ARG 15 HG2 ARG 15 13.912 -1.114 7.172
132 HG3 ARG 15 HG1 ARG 15 12.496 -1.120 6.122
133 HD2 ARG 15 HD2 ARG 15 13.079 -3.419 6.637
134 HD3 ARG 15 HD1 ARG 15 13.443 -3.114 4.942
135 HE ARG 15 HE ARG 15 15.736 -2.599 6.543
136 HH11 ARG 15 HH21 ARG 15 13.744 -5.134 5.290
137 HH12 ARG 15 HH22 ARG 15 15.012 -6.314 5.275
138 HH21 ARG 15 HH11 ARG 15 17.404 -4.140 6.533
139 HH22 ARG 15 HH12 ARG 15 17.086 -5.751 5.981
140 H CYS 16 HN CYS 16 15.086 3.209 5.667
141 HA CYS 16 HA CYS 16 16.193 3.422 2.943
142 HB2 CYS 16 HB2 CYS 16 16.289 5.662 4.944
143 HB3 CYS 16 HB1 CYS 16 16.094 5.731 3.192
144 H ARG 17 HN ARG 17 18.325 3.421 2.541
145 HA ARG 17 HA ARG 17 20.329 4.074 4.462
146 HB2 ARG 17 HB2 ARG 17 19.538 1.782 5.244
147 HB3 ARG 17 HB1 ARG 17 20.206 1.144 3.740
148 HG2 ARG 17 HG2 ARG 17 22.414 2.071 4.318
149 HG3 ARG 17 HG1 ARG 17 21.752 2.721 5.818
150 HD2 ARG 17 HD2 ARG 17 22.863 0.610 6.298
151 HD3 ARG 17 HD1 ARG 17 21.125 0.404 6.499
152 HE ARG 17 HE ARG 17 21.889 -0.269 3.843
153 HH11 ARG 17 HH21 ARG 17 22.041 -1.351 7.125
154 HH12 ARG 17 HH22 ARG 17 22.107 -3.032 6.714
155 HH21 ARG 17 HH11 ARG 17 21.975 -2.470 3.294
156 HH22 ARG 17 HH12 ARG 17 22.072 -3.665 4.543
157 HN1 NH2 18 HN1 NH2 18 20.436 5.283 2.199
158 HN2 NH2 18 HN2 NH2 18 21.464 4.568 1.051
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 18.986 10.126 -3.149
2 H2 LYS 1 HT2 LYS 1 18.638 8.886 -4.259
3 H3 LYS 1 HT3 LYS 1 20.212 9.065 -3.645
4 HA LYS 1 HA LYS 1 19.641 7.490 -2.190
5 HB2 LYS 1 HB2 LYS 1 18.068 9.865 -1.149
6 HB3 LYS 1 HB1 LYS 1 18.378 8.401 -0.216
7 HG2 LYS 1 HG2 LYS 1 20.779 8.747 -0.363
8 HG3 LYS 1 HG1 LYS 1 20.550 10.120 -1.443
9 HD2 LYS 1 HD2 LYS 1 20.911 11.092 0.691
10 HD3 LYS 1 HD1 LYS 1 19.168 11.180 0.445
11 HE2 LYS 1 HE2 LYS 1 18.783 9.296 1.881
12 HE3 LYS 1 HE1 LYS 1 20.501 8.900 1.933
13 HZ1 LYS 1 HZ1 LYS 1 19.391 11.465 2.917
14 HZ2 LYS 1 HZ2 LYS 1 20.955 10.847 3.165
15 HZ3 LYS 1 HZ3 LYS 1 19.620 10.112 3.914
16 H TRP 2 HN TRP 2 18.339 5.752 -2.156
17 HA TRP 2 HA TRP 2 15.486 6.086 -2.924
18 HB2 TRP 2 HB2 TRP 2 17.426 3.893 -3.693
19 HB3 TRP 2 HB1 TRP 2 15.684 3.815 -3.960
20 HD1 TRP 2 HD1 TRP 2 14.808 6.357 -5.154
21 HE1 TRP 2 HE1 TRP 2 15.781 7.362 -7.321
22 HE3 TRP 2 HE3 TRP 2 19.306 3.947 -5.297
23 HZ2 TRP 2 HZ2 TRP 2 18.158 7.169 -8.903
24 HZ3 TRP 2 HZ3 TRP 2 20.904 4.375 -7.141
25 HH2 TRP 2 HH2 TRP 2 20.336 5.982 -8.944
26 H CYS 3 HN CYS 3 14.028 5.188 -1.603
27 HA CYS 3 HA CYS 3 15.022 3.608 0.699
28 HB2 CYS 3 HB2 CYS 3 12.435 5.156 0.419
29 HB3 CYS 3 HB1 CYS 3 13.037 4.366 1.874
30 H PHE 4 HN PHE 4 13.742 1.831 1.440
31 HA PHE 4 HA PHE 4 11.862 0.697 -0.547
32 HB2 PHE 4 HB2 PHE 4 14.184 -0.730 0.766
33 HB3 PHE 4 HB1 PHE 4 12.893 -1.539 -0.122
34 HD1 PHE 4 HD2 PHE 4 12.528 -1.012 -2.554
35 HD2 PHE 4 HD1 PHE 4 15.945 0.418 -0.377
36 HE1 PHE 4 HE2 PHE 4 13.684 -0.519 -4.692
37 HE2 PHE 4 HE1 PHE 4 17.099 0.912 -2.516
38 HZ PHE 4 HZ PHE 4 15.970 0.443 -4.673
39 H ARG 5 HN ARG 5 10.344 -0.788 0.306
40 HA ARG 5 HA ARG 5 10.119 -0.895 3.252
41 HB2 ARG 5 HB2 ARG 5 7.729 -0.362 3.100
42 HB3 ARG 5 HB1 ARG 5 8.698 0.962 2.458
43 HG2 ARG 5 HG2 ARG 5 8.317 0.132 0.161
44 HG3 ARG 5 HG1 ARG 5 7.332 -1.185 0.799
45 HD2 ARG 5 HD2 ARG 5 5.848 0.582 0.079
46 HD3 ARG 5 HD1 ARG 5 5.823 0.516 1.839
47 HE ARG 5 HE ARG 5 7.793 2.369 0.982
48 HH11 ARG 5 HH21 ARG 5 4.373 1.877 1.162
49 HH12 ARG 5 HH22 ARG 5 3.996 3.564 1.282
50 HH21 ARG 5 HH11 ARG 5 7.308 4.584 1.136
51 HH22 ARG 5 HH12 ARG 5 5.658 5.096 1.268
52 H VAL 6 HN VAL 6 9.090 -2.720 4.053
53 HA VAL 6 HA VAL 6 8.079 -4.719 2.141
54 HB VAL 6 HB VAL 6 10.493 -5.200 2.485
55 HG11 VAL 6 HG11 VAL 6 9.724 -5.730 5.364
56 HG12 VAL 6 HG12 VAL 6 10.495 -4.232 4.840
57 HG13 VAL 6 HG13 VAL 6 11.339 -5.771 4.655
58 HG21 VAL 6 HG21 VAL 6 8.678 -7.199 3.866
59 HG22 VAL 6 HG22 VAL 6 10.190 -7.548 3.030
60 HG23 VAL 6 HG23 VAL 6 8.782 -7.006 2.118
61 H CYS 7 HN CYS 7 6.448 -5.948 2.939
62 HA CYS 7 HA CYS 7 5.874 -5.857 5.832
63 HB2 CYS 7 HB2 CYS 7 4.546 -4.142 4.312
64 HB3 CYS 7 HB1 CYS 7 3.587 -5.567 3.914
65 H TYR 8 HN TYR 8 5.563 -7.839 6.583
66 HA TYR 8 HA TYR 8 4.994 -10.033 4.705
67 HB2 TYR 8 HB2 TYR 8 5.969 -10.002 7.568
68 HB3 TYR 8 HB1 TYR 8 5.614 -11.473 6.660
69 HD1 TYR 8 HD2 TYR 8 6.907 -11.994 4.571
70 HD2 TYR 8 HD1 TYR 8 7.977 -8.752 7.179
71 HE1 TYR 8 HE2 TYR 8 9.153 -11.891 3.524
72 HE2 TYR 8 HE1 TYR 8 10.221 -8.650 6.130
73 HH TYR 8 HH TYR 8 11.244 -9.296 3.912
74 H ARG 9 HN ARG 9 4.119 -9.628 8.126
75 HA ARG 9 HA ARG 9 1.348 -10.445 7.454
76 HB2 ARG 9 HB2 ARG 9 2.934 -10.735 10.015
77 HB3 ARG 9 HB1 ARG 9 1.231 -11.157 9.840
78 HG2 ARG 9 HG2 ARG 9 1.779 -12.791 8.103
79 HG3 ARG 9 HG1 ARG 9 3.480 -12.328 8.176
80 HD2 ARG 9 HD2 ARG 9 3.159 -14.356 9.482
81 HD3 ARG 9 HD1 ARG 9 3.523 -13.023 10.573
82 HE ARG 9 HE ARG 9 0.713 -13.269 10.262
83 HH11 ARG 9 HH21 ARG 9 3.476 -14.803 11.668
84 HH12 ARG 9 HH22 ARG 9 2.584 -15.539 12.959
85 HH21 ARG 9 HH11 ARG 9 -0.467 -14.232 11.950
86 HH22 ARG 9 HH12 ARG 9 0.352 -15.216 13.117
87 H GLY 10 HN GLY 10 1.939 -7.801 7.034
88 HA2 GLY 10 HA2 GLY 10 0.677 -5.861 7.460
89 HA3 GLY 10 HA1 GLY 10 0.227 -6.511 9.032
90 H ILE 11 HN ILE 11 3.454 -7.047 8.772
91 HA ILE 11 HA ILE 11 4.089 -4.714 10.434
92 HB ILE 11 HB ILE 11 6.332 -5.948 10.631
93 HG12 ILE 11 HG12 ILE 11 4.704 -8.253 9.530
94 HG13 ILE 11 HG11 ILE 11 5.853 -7.351 8.545
95 HG21 ILE 11 HG21 ILE 11 5.258 -7.727 12.133
96 HG22 ILE 11 HG22 ILE 11 3.703 -7.096 11.590
97 HG23 ILE 11 HG23 ILE 11 4.820 -6.051 12.468
98 HD11 ILE 11 HD11 ILE 11 6.680 -8.529 11.199
99 HD12 ILE 11 HD12 ILE 11 7.699 -8.052 9.840
100 HD13 ILE 11 HD13 ILE 11 6.698 -9.500 9.729
101 H CYS 12 HN CYS 12 3.800 -3.286 8.525
102 HA CYS 12 HA CYS 12 5.898 -3.418 6.497
103 HB2 CYS 12 HB2 CYS 12 4.018 -1.092 6.682
104 HB3 CYS 12 HB1 CYS 12 4.597 -1.962 5.259
105 H TYR 13 HN TYR 13 7.751 -2.343 6.592
106 HA TYR 13 HA TYR 13 7.973 0.115 8.183
107 HB2 TYR 13 HB2 TYR 13 9.642 -2.361 8.644
108 HB3 TYR 13 HB1 TYR 13 10.088 -0.758 9.230
109 HD1 TYR 13 HD1 TYR 13 7.500 -3.425 9.428
110 HD2 TYR 13 HD2 TYR 13 9.000 0.230 11.115
111 HE1 TYR 13 HE1 TYR 13 6.000 -3.711 11.382
112 HE2 TYR 13 HE2 TYR 13 7.502 -0.056 13.070
113 HH TYR 13 HH TYR 13 5.242 -2.807 13.264
114 H ARG 14 HN ARG 14 9.592 1.485 7.524
115 HA ARG 14 HA ARG 14 10.531 1.104 4.816
116 HB2 ARG 14 HB2 ARG 14 10.858 3.343 6.819
117 HB3 ARG 14 HB1 ARG 14 11.538 3.386 5.192
118 HG2 ARG 14 HG2 ARG 14 9.301 3.108 4.226
119 HG3 ARG 14 HG1 ARG 14 8.601 3.005 5.843
120 HD2 ARG 14 HD2 ARG 14 9.390 5.281 6.339
121 HD3 ARG 14 HD1 ARG 14 10.112 5.391 4.736
122 HE ARG 14 HE ARG 14 7.279 5.586 5.385
123 HH11 ARG 14 HH21 ARG 14 9.720 5.031 3.000
124 HH12 ARG 14 HH22 ARG 14 8.715 5.482 1.663
125 HH21 ARG 14 HH11 ARG 14 5.949 6.177 3.638
126 HH22 ARG 14 HH12 ARG 14 6.579 6.131 2.025
127 H ARG 15 HN ARG 15 12.683 1.000 4.136
128 HA ARG 15 HA ARG 15 14.738 0.554 6.217
129 HB2 ARG 15 HB2 ARG 15 14.211 -1.219 3.820
130 HB3 ARG 15 HB1 ARG 15 15.630 -1.333 4.862
131 HG2 ARG 15 HG2 ARG 15 14.145 -1.726 6.813
132 HG3 ARG 15 HG1 ARG 15 12.745 -1.671 5.739
133 HD2 ARG 15 HD2 ARG 15 15.049 -3.615 5.437
134 HD3 ARG 15 HD1 ARG 15 13.527 -3.999 6.235
135 HE ARG 15 HE ARG 15 12.866 -3.021 3.713
136 HH11 ARG 15 HH21 ARG 15 14.678 -5.616 5.110
137 HH12 ARG 15 HH22 ARG 15 14.396 -6.706 3.795
138 HH21 ARG 15 HH11 ARG 15 12.492 -4.446 1.982
139 HH22 ARG 15 HH12 ARG 15 13.159 -6.043 2.023
140 H CYS 16 HN CYS 16 14.806 2.919 5.284
141 HA CYS 16 HA CYS 16 16.323 3.089 2.787
142 HB2 CYS 16 HB2 CYS 16 14.451 4.728 3.711
143 HB3 CYS 16 HB1 CYS 16 15.822 5.476 4.530
144 H ARG 17 HN ARG 17 18.361 4.240 2.695
145 HA ARG 17 HA ARG 17 19.916 4.269 5.211
146 HB2 ARG 17 HB2 ARG 17 20.753 2.878 2.653
147 HB3 ARG 17 HB1 ARG 17 21.796 3.143 4.050
148 HG2 ARG 17 HG2 ARG 17 20.305 1.813 5.461
149 HG3 ARG 17 HG1 ARG 17 19.183 1.605 4.116
150 HD2 ARG 17 HD2 ARG 17 20.543 -0.392 4.294
151 HD3 ARG 17 HD1 ARG 17 21.003 0.476 2.831
152 HE ARG 17 HE ARG 17 22.613 1.185 5.118
153 HH11 ARG 17 HH21 ARG 17 22.105 -1.052 2.527
154 HH12 ARG 17 HH22 ARG 17 23.753 -1.581 2.475
155 HH21 ARG 17 HH11 ARG 17 24.779 0.493 5.059
156 HH22 ARG 17 HH12 ARG 17 25.267 -0.707 3.908
157 HN1 NH2 18 HN1 NH2 18 19.214 5.648 2.114
158 HN2 NH2 18 HN2 NH2 18 20.401 6.859 2.159
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 19.244 4.669 -3.830
2 H2 LYS 1 HT2 LYS 1 19.970 5.208 -2.391
3 H3 LYS 1 HT3 LYS 1 20.795 5.352 -3.870
4 HA LYS 1 HA LYS 1 19.633 7.412 -2.853
5 HB2 LYS 1 HB2 LYS 1 19.279 8.267 -5.115
6 HB3 LYS 1 HB1 LYS 1 20.737 7.277 -5.078
7 HG2 LYS 1 HG2 LYS 1 19.328 5.329 -5.852
8 HG3 LYS 1 HG1 LYS 1 18.001 6.466 -6.097
9 HD2 LYS 1 HD2 LYS 1 20.731 6.724 -7.391
10 HD3 LYS 1 HD1 LYS 1 19.323 6.019 -8.181
11 HE2 LYS 1 HE2 LYS 1 18.124 8.236 -7.620
12 HE3 LYS 1 HE1 LYS 1 19.738 8.877 -7.301
13 HZ1 LYS 1 HZ1 LYS 1 19.078 9.274 -9.585
14 HZ2 LYS 1 HZ2 LYS 1 18.848 7.610 -9.836
15 HZ3 LYS 1 HZ3 LYS 1 20.404 8.219 -9.528
16 H TRP 2 HN TRP 2 17.904 5.147 -2.185
17 HA TRP 2 HA TRP 2 15.386 6.496 -2.324
18 HB2 TRP 2 HB2 TRP 2 15.412 5.545 -4.596
19 HB3 TRP 2 HB1 TRP 2 15.674 3.936 -3.920
20 HD1 TRP 2 HD1 TRP 2 13.151 6.807 -3.258
21 HE1 TRP 2 HE1 TRP 2 10.804 5.767 -3.028
22 HE3 TRP 2 HE3 TRP 2 14.302 1.876 -3.918
23 HZ2 TRP 2 HZ2 TRP 2 9.576 3.187 -3.115
24 HZ3 TRP 2 HZ3 TRP 2 12.525 0.150 -3.843
25 HH2 TRP 2 HH2 TRP 2 10.165 0.799 -3.442
26 H CYS 3 HN CYS 3 13.880 5.626 -0.892
27 HA CYS 3 HA CYS 3 14.995 3.884 1.134
28 HB2 CYS 3 HB2 CYS 3 12.170 4.943 0.982
29 HB3 CYS 3 HB1 CYS 3 13.050 4.413 2.414
30 H PHE 4 HN PHE 4 13.744 2.017 1.962
31 HA PHE 4 HA PHE 4 12.268 0.575 -0.172
32 HB2 PHE 4 HB2 PHE 4 14.394 -0.535 1.679
33 HB3 PHE 4 HB1 PHE 4 13.388 -1.499 0.596
34 HD1 PHE 4 HD2 PHE 4 13.553 -1.185 -1.879
35 HD2 PHE 4 HD1 PHE 4 16.243 0.747 0.856
36 HE1 PHE 4 HE2 PHE 4 15.113 -0.711 -3.747
37 HE2 PHE 4 HE1 PHE 4 17.803 1.220 -1.010
38 HZ PHE 4 HZ PHE 4 17.238 0.492 -3.312
39 H ARG 5 HN ARG 5 10.632 -0.791 0.517
40 HA ARG 5 HA ARG 5 10.070 -1.034 3.376
41 HB2 ARG 5 HB2 ARG 5 8.977 1.087 2.679
42 HB3 ARG 5 HB1 ARG 5 8.072 0.190 1.458
43 HG2 ARG 5 HG2 ARG 5 7.029 -1.183 3.189
44 HG3 ARG 5 HG1 ARG 5 7.988 -0.385 4.435
45 HD2 ARG 5 HD2 ARG 5 5.768 0.611 4.387
46 HD3 ARG 5 HD1 ARG 5 6.939 1.786 3.794
47 HE ARG 5 HE ARG 5 5.974 1.626 1.672
48 HH11 ARG 5 HH21 ARG 5 4.825 -0.849 3.800
49 HH12 ARG 5 HH22 ARG 5 3.548 -1.357 2.745
50 HH21 ARG 5 HH11 ARG 5 4.300 0.966 0.282
51 HH22 ARG 5 HH12 ARG 5 3.250 -0.328 0.754
52 H VAL 6 HN VAL 6 9.077 -2.921 3.857
53 HA VAL 6 HA VAL 6 7.720 -4.441 1.730
54 HB VAL 6 HB VAL 6 9.996 -5.285 1.674
55 HG11 VAL 6 HG11 VAL 6 9.680 -5.814 4.641
56 HG12 VAL 6 HG12 VAL 6 10.598 -4.470 3.965
57 HG13 VAL 6 HG13 VAL 6 11.111 -6.128 3.660
58 HG21 VAL 6 HG21 VAL 6 8.009 -6.880 1.610
59 HG22 VAL 6 HG22 VAL 6 8.339 -7.225 3.306
60 HG23 VAL 6 HG23 VAL 6 9.544 -7.609 2.078
61 H CYS 7 HN CYS 7 6.063 -5.701 2.458
62 HA CYS 7 HA CYS 7 5.537 -5.714 5.387
63 HB2 CYS 7 HB2 CYS 7 3.463 -5.645 3.184
64 HB3 CYS 7 HB1 CYS 7 3.193 -5.473 4.919
65 H TYR 8 HN TYR 8 4.489 -7.558 6.222
66 HA TYR 8 HA TYR 8 4.420 -9.932 4.446
67 HB2 TYR 8 HB2 TYR 8 5.619 -9.769 7.224
68 HB3 TYR 8 HB1 TYR 8 5.383 -11.257 6.308
69 HD1 TYR 8 HD2 TYR 8 6.501 -11.467 4.017
70 HD2 TYR 8 HD1 TYR 8 7.523 -8.403 6.852
71 HE1 TYR 8 HE2 TYR 8 8.641 -11.080 2.828
72 HE2 TYR 8 HE1 TYR 8 9.664 -8.017 5.663
73 HH TYR 8 HH TYR 8 10.616 -10.035 2.893
74 H ARG 9 HN ARG 9 3.947 -9.793 7.928
75 HA ARG 9 HA ARG 9 1.199 -10.786 7.576
76 HB2 ARG 9 HB2 ARG 9 1.354 -11.373 9.965
77 HB3 ARG 9 HB1 ARG 9 2.669 -12.087 9.032
78 HG2 ARG 9 HG2 ARG 9 4.165 -10.251 9.732
79 HG3 ARG 9 HG1 ARG 9 2.853 -9.540 10.674
80 HD2 ARG 9 HD2 ARG 9 3.920 -12.341 11.101
81 HD3 ARG 9 HD1 ARG 9 4.418 -10.941 12.047
82 HE ARG 9 HE ARG 9 1.618 -11.066 12.126
83 HH11 ARG 9 HH21 ARG 9 4.386 -12.898 13.098
84 HH12 ARG 9 HH22 ARG 9 3.607 -13.608 14.471
85 HH21 ARG 9 HH11 ARG 9 0.587 -11.993 13.925
86 HH22 ARG 9 HH12 ARG 9 1.454 -13.094 14.940
87 H GLY 10 HN GLY 10 1.649 -8.046 7.003
88 HA2 GLY 10 HA2 GLY 10 0.190 -6.223 7.364
89 HA3 GLY 10 HA1 GLY 10 -0.167 -6.839 8.974
90 H ILE 11 HN ILE 11 3.056 -7.142 8.774
91 HA ILE 11 HA ILE 11 3.532 -4.535 10.085
92 HB ILE 11 HB ILE 11 5.209 -7.059 10.080
93 HG12 ILE 11 HG12 ILE 11 3.549 -5.866 12.318
94 HG13 ILE 11 HG11 ILE 11 2.965 -7.160 11.269
95 HG21 ILE 11 HG21 ILE 11 6.354 -5.869 11.983
96 HG22 ILE 11 HG22 ILE 11 5.437 -4.424 11.562
97 HG23 ILE 11 HG23 ILE 11 6.591 -5.099 10.415
98 HD11 ILE 11 HD11 ILE 11 3.916 -8.110 13.320
99 HD12 ILE 11 HD12 ILE 11 5.438 -7.269 13.022
100 HD13 ILE 11 HD13 ILE 11 4.912 -8.552 11.933
101 H CYS 12 HN CYS 12 4.400 -3.010 8.865
102 HA CYS 12 HA CYS 12 6.097 -3.772 6.561
103 HB2 CYS 12 HB2 CYS 12 4.650 -1.174 7.132
104 HB3 CYS 12 HB1 CYS 12 5.572 -1.550 5.678
105 H TYR 13 HN TYR 13 8.195 -3.320 6.605
106 HA TYR 13 HA TYR 13 9.249 -1.639 8.804
107 HB2 TYR 13 HB2 TYR 13 10.547 -3.770 7.096
108 HB3 TYR 13 HB1 TYR 13 11.417 -2.769 8.255
109 HD1 TYR 13 HD2 TYR 13 10.881 -2.897 10.679
110 HD2 TYR 13 HD1 TYR 13 9.117 -5.572 7.819
111 HE1 TYR 13 HE2 TYR 13 10.191 -4.409 12.520
112 HE2 TYR 13 HE1 TYR 13 8.425 -7.086 9.659
113 HH TYR 13 HH TYR 13 9.508 -6.582 12.952
114 H ARG 14 HN ARG 14 10.423 0.133 8.387
115 HA ARG 14 HA ARG 14 10.715 0.974 5.564
116 HB2 ARG 14 HB2 ARG 14 10.775 3.276 6.486
117 HB3 ARG 14 HB1 ARG 14 9.271 2.439 6.872
118 HG2 ARG 14 HG2 ARG 14 10.216 1.843 9.103
119 HG3 ARG 14 HG1 ARG 14 11.653 2.788 8.716
120 HD2 ARG 14 HD2 ARG 14 8.848 3.920 8.712
121 HD3 ARG 14 HD1 ARG 14 9.951 4.042 10.078
122 HE ARG 14 HE ARG 14 11.260 5.014 7.779
123 HH11 ARG 14 HH21 ARG 14 8.624 5.738 9.899
124 HH12 ARG 14 HH22 ARG 14 8.726 7.451 9.666
125 HH21 ARG 14 HH11 ARG 14 11.400 7.261 7.466
126 HH22 ARG 14 HH12 ARG 14 10.297 8.313 8.288
127 H ARG 15 HN ARG 15 12.673 1.442 4.762
128 HA ARG 15 HA ARG 15 14.962 1.796 6.576
129 HB2 ARG 15 HB2 ARG 15 14.734 -0.654 5.938
130 HB3 ARG 15 HB1 ARG 15 15.074 -0.160 4.279
131 HG2 ARG 15 HG2 ARG 15 17.203 0.833 4.993
132 HG3 ARG 15 HG1 ARG 15 16.864 0.385 6.664
133 HD2 ARG 15 HD2 ARG 15 18.356 -1.268 5.645
134 HD3 ARG 15 HD1 ARG 15 16.794 -1.999 5.999
135 HE ARG 15 HE ARG 15 16.403 -2.194 3.703
136 HH11 ARG 15 HH21 ARG 15 19.171 -0.227 4.371
137 HH12 ARG 15 HH22 ARG 15 19.712 -0.190 2.727
138 HH21 ARG 15 HH11 ARG 15 17.102 -2.148 1.547
139 HH22 ARG 15 HH12 ARG 15 18.540 -1.277 1.127
140 H CYS 16 HN CYS 16 16.286 3.349 5.884
141 HA CYS 16 HA CYS 16 16.621 3.922 3.060
142 HB2 CYS 16 HB2 CYS 16 14.512 5.175 4.059
143 HB3 CYS 16 HB1 CYS 16 15.731 6.273 4.700
144 H ARG 17 HN ARG 17 18.250 5.634 2.708
145 HA ARG 17 HA ARG 17 19.889 6.441 4.954
146 HB2 ARG 17 HB2 ARG 17 20.646 4.107 4.561
147 HB3 ARG 17 HB1 ARG 17 21.043 4.542 2.897
148 HG2 ARG 17 HG2 ARG 17 22.635 6.239 3.706
149 HG3 ARG 17 HG1 ARG 17 22.229 5.830 5.374
150 HD2 ARG 17 HD2 ARG 17 22.970 3.481 4.912
151 HD3 ARG 17 HD1 ARG 17 23.510 4.006 3.320
152 HE ARG 17 HE ARG 17 24.781 4.608 5.875
153 HH11 ARG 17 HH21 ARG 17 24.435 5.333 2.505
154 HH12 ARG 17 HH22 ARG 17 25.976 6.113 2.376
155 HH21 ARG 17 HH11 ARG 17 26.798 5.632 5.710
156 HH22 ARG 17 HH12 ARG 17 27.313 6.282 4.190
157 HN1 NH2 18 HN1 NH2 18 19.565 6.222 1.398
158 HN2 NH2 18 HN2 NH2 18 20.276 7.732 1.096
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 19.780 7.033 -3.578
2 H2 LYS 1 HT2 LYS 1 19.269 5.791 -2.536
3 H3 LYS 1 HT3 LYS 1 20.668 6.687 -2.173
4 HA LYS 1 HA LYS 1 19.213 7.732 -0.793
5 HB2 LYS 1 HB2 LYS 1 18.814 9.053 -3.492
6 HB3 LYS 1 HB1 LYS 1 18.376 9.787 -1.949
7 HG2 LYS 1 HG2 LYS 1 20.713 9.632 -1.197
8 HG3 LYS 1 HG1 LYS 1 21.160 8.881 -2.729
9 HD2 LYS 1 HD2 LYS 1 20.431 10.896 -3.943
10 HD3 LYS 1 HD1 LYS 1 19.974 11.653 -2.417
11 HE2 LYS 1 HE2 LYS 1 22.305 11.508 -1.634
12 HE3 LYS 1 HE1 LYS 1 22.770 10.739 -3.152
13 HZ1 LYS 1 HZ1 LYS 1 22.525 12.664 -4.317
14 HZ2 LYS 1 HZ2 LYS 1 22.995 13.310 -2.816
15 HZ3 LYS 1 HZ3 LYS 1 21.355 13.302 -3.263
16 H TRP 2 HN TRP 2 17.951 5.394 -2.263
17 HA TRP 2 HA TRP 2 15.121 6.279 -2.225
18 HB2 TRP 2 HB2 TRP 2 16.249 3.754 -3.444
19 HB3 TRP 2 HB1 TRP 2 14.627 4.413 -3.650
20 HD1 TRP 2 HD1 TRP 2 14.771 7.153 -4.589
21 HE1 TRP 2 HE1 TRP 2 16.114 7.955 -6.637
22 HE3 TRP 2 HE3 TRP 2 18.134 3.335 -4.986
23 HZ2 TRP 2 HZ2 TRP 2 18.324 7.092 -8.234
24 HZ3 TRP 2 HZ3 TRP 2 19.848 3.349 -6.777
25 HH2 TRP 2 HH2 TRP 2 19.946 5.221 -8.400
26 H CYS 3 HN CYS 3 13.657 5.229 -0.950
27 HA CYS 3 HA CYS 3 14.774 3.431 1.114
28 HB2 CYS 3 HB2 CYS 3 12.238 5.092 1.111
29 HB3 CYS 3 HB1 CYS 3 12.801 4.081 2.443
30 H PHE 4 HN PHE 4 13.506 1.607 1.783
31 HA PHE 4 HA PHE 4 11.529 0.640 -0.203
32 HB2 PHE 4 HB2 PHE 4 13.820 -0.935 0.995
33 HB3 PHE 4 HB1 PHE 4 12.530 -1.616 0.005
34 HD1 PHE 4 HD2 PHE 4 12.208 -0.732 -2.364
35 HD2 PHE 4 HD1 PHE 4 15.688 0.141 -0.004
36 HE1 PHE 4 HE2 PHE 4 13.440 -0.091 -4.419
37 HE2 PHE 4 HE1 PHE 4 16.921 0.782 -2.058
38 HZ PHE 4 HZ PHE 4 15.797 0.666 -4.266
39 H ARG 5 HN ARG 5 9.964 -0.780 0.604
40 HA ARG 5 HA ARG 5 9.909 -1.352 3.472
41 HB2 ARG 5 HB2 ARG 5 7.669 -0.351 3.741
42 HB3 ARG 5 HB1 ARG 5 8.878 0.866 3.333
43 HG2 ARG 5 HG2 ARG 5 8.192 0.714 0.948
44 HG3 ARG 5 HG1 ARG 5 6.939 -0.439 1.405
45 HD2 ARG 5 HD2 ARG 5 5.938 1.250 2.902
46 HD3 ARG 5 HD1 ARG 5 7.173 2.407 2.414
47 HE ARG 5 HE ARG 5 4.887 1.530 0.830
48 HH11 ARG 5 HH21 ARG 5 7.985 3.066 0.938
49 HH12 ARG 5 HH22 ARG 5 7.752 3.951 -0.531
50 HH21 ARG 5 HH11 ARG 5 4.574 2.685 -1.101
51 HH22 ARG 5 HH12 ARG 5 5.821 3.734 -1.686
52 H VAL 6 HN VAL 6 8.810 -3.186 3.943
53 HA VAL 6 HA VAL 6 6.998 -4.362 1.953
54 HB VAL 6 HB VAL 6 9.247 -5.233 1.399
55 HG11 VAL 6 HG11 VAL 6 9.201 -6.520 4.136
56 HG12 VAL 6 HG12 VAL 6 10.054 -5.011 3.819
57 HG13 VAL 6 HG13 VAL 6 10.529 -6.486 2.977
58 HG21 VAL 6 HG21 VAL 6 8.607 -7.552 1.355
59 HG22 VAL 6 HG22 VAL 6 7.119 -6.612 1.222
60 HG23 VAL 6 HG23 VAL 6 7.562 -7.350 2.761
61 H CYS 7 HN CYS 7 5.409 -5.602 2.849
62 HA CYS 7 HA CYS 7 5.247 -5.612 5.783
63 HB2 CYS 7 HB2 CYS 7 3.279 -5.851 3.538
64 HB3 CYS 7 HB1 CYS 7 2.856 -6.540 5.106
65 H TYR 8 HN TYR 8 6.305 -7.304 6.638
66 HA TYR 8 HA TYR 8 6.540 -9.850 5.371
67 HB2 TYR 8 HB2 TYR 8 7.032 -8.992 8.231
68 HB3 TYR 8 HB1 TYR 8 7.449 -10.576 7.573
69 HD1 TYR 8 HD2 TYR 8 9.182 -10.805 5.826
70 HD2 TYR 8 HD1 TYR 8 8.293 -7.011 7.634
71 HE1 TYR 8 HE2 TYR 8 11.300 -9.882 4.927
72 HE2 TYR 8 HE1 TYR 8 10.411 -6.088 6.736
73 HH TYR 8 HH TYR 8 12.301 -7.768 4.393
74 H ARG 9 HN ARG 9 4.457 -8.520 7.906
75 HA ARG 9 HA ARG 9 2.554 -10.699 7.454
76 HB2 ARG 9 HB2 ARG 9 2.319 -11.082 9.904
77 HB3 ARG 9 HB1 ARG 9 3.894 -11.569 9.279
78 HG2 ARG 9 HG2 ARG 9 4.884 -9.464 10.048
79 HG3 ARG 9 HG1 ARG 9 3.308 -8.909 10.616
80 HD2 ARG 9 HD2 ARG 9 4.566 -9.790 12.504
81 HD3 ARG 9 HD1 ARG 9 3.213 -10.863 12.156
82 HE ARG 9 HE ARG 9 5.521 -11.735 10.749
83 HH11 ARG 9 HH21 ARG 9 4.145 -11.503 13.916
84 HH12 ARG 9 HH22 ARG 9 4.983 -12.888 14.532
85 HH21 ARG 9 HH11 ARG 9 6.623 -13.553 11.549
86 HH22 ARG 9 HH12 ARG 9 6.385 -14.048 13.192
87 H GLY 10 HN GLY 10 2.401 -7.998 6.705
88 HA2 GLY 10 HA2 GLY 10 0.411 -6.676 6.643
89 HA3 GLY 10 HA1 GLY 10 0.074 -7.138 8.307
90 H ILE 11 HN ILE 11 3.129 -6.644 8.720
91 HA ILE 11 HA ILE 11 2.842 -3.741 9.244
92 HB ILE 11 HB ILE 11 4.738 -5.762 10.467
93 HG12 ILE 11 HG12 ILE 11 2.341 -4.370 11.695
94 HG13 ILE 11 HG11 ILE 11 2.283 -6.006 11.040
95 HG21 ILE 11 HG21 ILE 11 5.091 -3.869 12.107
96 HG22 ILE 11 HG22 ILE 11 4.196 -2.828 11.001
97 HG23 ILE 11 HG23 ILE 11 5.719 -3.553 10.488
98 HD11 ILE 11 HD11 ILE 11 2.676 -6.052 13.475
99 HD12 ILE 11 HD12 ILE 11 4.118 -5.062 13.263
100 HD13 ILE 11 HD13 ILE 11 4.067 -6.696 12.604
101 H CYS 12 HN CYS 12 3.785 -2.500 7.773
102 HA CYS 12 HA CYS 12 6.078 -3.487 6.226
103 HB2 CYS 12 HB2 CYS 12 4.122 -1.232 5.924
104 HB3 CYS 12 HB1 CYS 12 5.678 -1.137 5.097
105 H TYR 13 HN TYR 13 8.102 -2.917 6.656
106 HA TYR 13 HA TYR 13 8.588 -0.741 8.613
107 HB2 TYR 13 HB2 TYR 13 10.308 -3.092 7.806
108 HB3 TYR 13 HB1 TYR 13 10.774 -1.848 8.962
109 HD1 TYR 13 HD2 TYR 13 9.668 -1.664 11.143
110 HD2 TYR 13 HD1 TYR 13 8.598 -4.755 8.358
111 HE1 TYR 13 HE2 TYR 13 8.466 -2.870 12.945
112 HE2 TYR 13 HE1 TYR 13 7.393 -5.961 10.161
113 HH TYR 13 HH TYR 13 7.032 -6.065 12.377
114 H ARG 14 HN ARG 14 9.612 1.019 7.969
115 HA ARG 14 HA ARG 14 10.407 1.310 5.191
116 HB2 ARG 14 HB2 ARG 14 10.380 3.250 7.517
117 HB3 ARG 14 HB1 ARG 14 10.863 3.680 5.876
118 HG2 ARG 14 HG2 ARG 14 8.657 3.008 5.032
119 HG3 ARG 14 HG1 ARG 14 8.165 2.533 6.658
120 HD2 ARG 14 HD2 ARG 14 8.526 4.869 7.424
121 HD3 ARG 14 HD1 ARG 14 8.946 5.327 5.777
122 HE ARG 14 HE ARG 14 6.441 4.102 5.663
123 HH11 ARG 14 HH21 ARG 14 7.955 6.856 7.106
124 HH12 ARG 14 HH22 ARG 14 6.521 7.827 7.091
125 HH21 ARG 14 HH11 ARG 14 4.553 5.366 5.645
126 HH22 ARG 14 HH12 ARG 14 4.594 6.982 6.265
127 H ARG 15 HN ARG 15 12.464 1.604 4.430
128 HA ARG 15 HA ARG 15 14.709 1.612 6.340
129 HB2 ARG 15 HB2 ARG 15 14.277 -0.754 5.720
130 HB3 ARG 15 HB1 ARG 15 14.488 -0.323 4.022
131 HG2 ARG 15 HG2 ARG 15 16.785 0.423 4.475
132 HG3 ARG 15 HG1 ARG 15 16.582 0.046 6.186
133 HD2 ARG 15 HD2 ARG 15 16.101 -2.331 5.527
134 HD3 ARG 15 HD1 ARG 15 16.518 -1.902 3.871
135 HE ARG 15 HE ARG 15 18.572 -1.202 5.772
136 HH11 ARG 15 HH21 ARG 15 17.192 -3.691 3.805
137 HH12 ARG 15 HH22 ARG 15 18.658 -4.604 3.689
138 HH21 ARG 15 HH11 ARG 15 20.500 -2.395 5.627
139 HH22 ARG 15 HH12 ARG 15 20.531 -3.871 4.721
140 H CYS 16 HN CYS 16 16.192 3.056 5.774
141 HA CYS 16 HA CYS 16 16.414 3.874 2.932
142 HB2 CYS 16 HB2 CYS 16 16.525 5.705 5.343
143 HB3 CYS 16 HB1 CYS 16 16.730 6.185 3.658
144 H ARG 17 HN ARG 17 18.475 4.517 2.260
145 HA ARG 17 HA ARG 17 20.716 4.322 4.129
146 HB2 ARG 17 HB2 ARG 17 21.887 2.644 2.774
147 HB3 ARG 17 HB1 ARG 17 20.368 1.997 3.396
148 HG2 ARG 17 HG2 ARG 17 19.272 2.476 1.237
149 HG3 ARG 17 HG1 ARG 17 20.786 3.126 0.608
150 HD2 ARG 17 HD2 ARG 17 20.522 0.817 -0.130
151 HD3 ARG 17 HD1 ARG 17 21.870 0.933 0.998
152 HE ARG 17 HE ARG 17 20.633 -0.306 2.556
153 HH11 ARG 17 HH21 ARG 17 18.717 0.648 -0.162
154 HH12 ARG 17 HH22 ARG 17 17.389 -0.389 0.237
155 HH21 ARG 17 HH11 ARG 17 18.894 -1.662 3.090
156 HH22 ARG 17 HH12 ARG 17 17.486 -1.695 2.079
157 HN1 NH2 18 HN1 NH2 18 19.262 5.934 1.641
158 HN2 NH2 18 HN2 NH2 18 20.629 6.630 0.914
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 19.574 7.807 -3.481
2 H2 LYS 1 HT2 LYS 1 20.747 8.600 -2.543
3 H3 LYS 1 HT3 LYS 1 19.350 9.428 -3.040
4 HA LYS 1 HA LYS 1 19.648 7.365 -0.961
5 HB2 LYS 1 HB2 LYS 1 18.289 10.064 -1.173
6 HB3 LYS 1 HB1 LYS 1 18.137 9.003 0.227
7 HG2 LYS 1 HG2 LYS 1 20.588 9.037 0.523
8 HG3 LYS 1 HG1 LYS 1 20.741 10.105 -0.874
9 HD2 LYS 1 HD2 LYS 1 19.412 11.823 0.252
10 HD3 LYS 1 HD1 LYS 1 19.158 10.752 1.631
11 HE2 LYS 1 HE2 LYS 1 20.967 12.325 2.131
12 HE3 LYS 1 HE1 LYS 1 21.617 10.689 2.003
13 HZ1 LYS 1 HZ1 LYS 1 23.003 11.484 0.486
14 HZ2 LYS 1 HZ2 LYS 1 22.203 12.983 0.432
15 HZ3 LYS 1 HZ3 LYS 1 21.677 11.699 -0.550
16 H TRP 2 HN TRP 2 18.522 5.598 -1.667
17 HA TRP 2 HA TRP 2 15.723 5.994 -2.574
18 HB2 TRP 2 HB2 TRP 2 17.698 3.750 -3.034
19 HB3 TRP 2 HB1 TRP 2 15.976 3.606 -3.391
20 HD1 TRP 2 HD1 TRP 2 19.155 5.307 -4.566
21 HE1 TRP 2 HE1 TRP 2 18.722 6.428 -6.844
22 HE3 TRP 2 HE3 TRP 2 14.096 4.714 -4.890
23 HZ2 TRP 2 HZ2 TRP 2 16.519 6.998 -8.578
24 HZ3 TRP 2 HZ3 TRP 2 12.855 5.555 -6.864
25 HH2 TRP 2 HH2 TRP 2 14.060 6.695 -8.707
26 H CYS 3 HN CYS 3 14.078 5.044 -1.475
27 HA CYS 3 HA CYS 3 14.772 3.660 1.057
28 HB2 CYS 3 HB2 CYS 3 12.289 5.225 0.308
29 HB3 CYS 3 HB1 CYS 3 12.578 4.439 1.860
30 H PHE 4 HN PHE 4 13.797 1.736 1.562
31 HA PHE 4 HA PHE 4 11.937 0.560 -0.425
32 HB2 PHE 4 HB2 PHE 4 14.351 -0.759 0.836
33 HB3 PHE 4 HB1 PHE 4 13.109 -1.617 -0.077
34 HD1 PHE 4 HD2 PHE 4 12.734 -1.080 -2.493
35 HD2 PHE 4 HD1 PHE 4 16.021 0.562 -0.267
36 HE1 PHE 4 HE2 PHE 4 13.862 -0.461 -4.612
37 HE2 PHE 4 HE1 PHE 4 17.148 1.181 -2.387
38 HZ PHE 4 HZ PHE 4 16.068 0.669 -4.559
39 H ARG 5 HN ARG 5 10.439 -0.916 0.395
40 HA ARG 5 HA ARG 5 10.366 -1.363 3.301
41 HB2 ARG 5 HB2 ARG 5 8.047 -0.590 3.457
42 HB3 ARG 5 HB1 ARG 5 9.097 0.722 2.918
43 HG2 ARG 5 HG2 ARG 5 8.444 0.266 0.571
44 HG3 ARG 5 HG1 ARG 5 7.362 -1.011 1.127
45 HD2 ARG 5 HD2 ARG 5 6.122 0.655 2.482
46 HD3 ARG 5 HD1 ARG 5 7.172 1.923 1.857
47 HE ARG 5 HE ARG 5 5.897 0.395 -0.229
48 HH11 ARG 5 HH21 ARG 5 5.584 2.999 2.029
49 HH12 ARG 5 HH22 ARG 5 4.384 3.838 1.104
50 HH21 ARG 5 HH11 ARG 5 4.325 1.489 -1.445
51 HH22 ARG 5 HH12 ARG 5 3.672 2.983 -0.863
52 H VAL 6 HN VAL 6 9.226 -3.185 3.912
53 HA VAL 6 HA VAL 6 7.874 -4.766 1.824
54 HB VAL 6 HB VAL 6 10.126 -5.643 1.799
55 HG11 VAL 6 HG11 VAL 6 10.760 -4.702 4.042
56 HG12 VAL 6 HG12 VAL 6 11.279 -6.369 3.800
57 HG13 VAL 6 HG13 VAL 6 9.864 -6.022 4.794
58 HG21 VAL 6 HG21 VAL 6 8.092 -7.218 1.909
59 HG22 VAL 6 HG22 VAL 6 8.559 -7.512 3.584
60 HG23 VAL 6 HG23 VAL 6 9.665 -7.925 2.273
61 H CYS 7 HN CYS 7 6.111 -5.825 2.567
62 HA CYS 7 HA CYS 7 5.554 -5.666 5.480
63 HB2 CYS 7 HB2 CYS 7 3.456 -6.068 3.360
64 HB3 CYS 7 HB1 CYS 7 3.282 -5.405 4.985
65 H TYR 8 HN TYR 8 5.277 -7.500 6.588
66 HA TYR 8 HA TYR 8 5.485 -10.050 5.158
67 HB2 TYR 8 HB2 TYR 8 5.696 -9.284 8.072
68 HB3 TYR 8 HB1 TYR 8 5.715 -10.957 7.514
69 HD1 TYR 8 HD1 TYR 8 7.475 -7.692 7.295
70 HD2 TYR 8 HD2 TYR 8 7.643 -11.903 6.454
71 HE1 TYR 8 HE1 TYR 8 9.885 -7.487 6.747
72 HE2 TYR 8 HE2 TYR 8 10.052 -11.697 5.906
73 HH TYR 8 HH TYR 8 11.539 -9.184 5.072
74 H ARG 9 HN ARG 9 3.764 -9.527 8.184
75 HA ARG 9 HA ARG 9 1.231 -10.375 6.907
76 HB2 ARG 9 HB2 ARG 9 2.489 -11.490 9.425
77 HB3 ARG 9 HB1 ARG 9 0.816 -11.779 8.942
78 HG2 ARG 9 HG2 ARG 9 1.600 -12.750 6.814
79 HG3 ARG 9 HG1 ARG 9 3.269 -12.479 7.306
80 HD2 ARG 9 HD2 ARG 9 2.923 -13.938 9.273
81 HD3 ARG 9 HD1 ARG 9 1.265 -14.230 8.756
82 HE ARG 9 HE ARG 9 3.142 -14.875 6.690
83 HH11 ARG 9 HH21 ARG 9 1.747 -15.937 9.672
84 HH12 ARG 9 HH22 ARG 9 1.973 -17.621 9.338
85 HH21 ARG 9 HH11 ARG 9 3.441 -17.082 6.243
86 HH22 ARG 9 HH12 ARG 9 2.933 -18.271 7.396
87 H GLY 10 HN GLY 10 1.415 -7.828 7.196
88 HA2 GLY 10 HA2 GLY 10 -0.187 -6.288 8.110
89 HA3 GLY 10 HA1 GLY 10 -0.167 -7.195 9.618
90 H ILE 11 HN ILE 11 2.932 -7.258 9.061
91 HA ILE 11 HA ILE 11 3.470 -4.659 10.387
92 HB ILE 11 HB ILE 11 5.088 -7.222 10.385
93 HG12 ILE 11 HG12 ILE 11 3.587 -5.901 12.662
94 HG13 ILE 11 HG11 ILE 11 2.897 -7.197 11.683
95 HG21 ILE 11 HG21 ILE 11 6.289 -5.948 12.257
96 HG22 ILE 11 HG22 ILE 11 5.479 -4.503 11.655
97 HG23 ILE 11 HG23 ILE 11 6.597 -5.385 10.616
98 HD11 ILE 11 HD11 ILE 11 3.905 -8.157 13.685
99 HD12 ILE 11 HD12 ILE 11 5.433 -7.349 13.336
100 HD13 ILE 11 HD13 ILE 11 4.852 -8.631 12.275
101 H CYS 12 HN CYS 12 4.279 -3.179 9.064
102 HA CYS 12 HA CYS 12 6.244 -4.014 7.013
103 HB2 CYS 12 HB2 CYS 12 3.776 -3.373 6.255
104 HB3 CYS 12 HB1 CYS 12 4.396 -1.733 6.418
105 H TYR 13 HN TYR 13 7.894 -2.561 6.593
106 HA TYR 13 HA TYR 13 7.994 -0.035 8.079
107 HB2 TYR 13 HB2 TYR 13 10.253 -0.619 8.984
108 HB3 TYR 13 HB1 TYR 13 8.947 -1.571 9.688
109 HD1 TYR 13 HD1 TYR 13 11.610 -1.616 7.074
110 HD2 TYR 13 HD2 TYR 13 8.899 -3.936 9.468
111 HE1 TYR 13 HE1 TYR 13 12.718 -3.700 6.312
112 HE2 TYR 13 HE2 TYR 13 10.008 -6.018 8.706
113 HH TYR 13 HH TYR 13 12.404 -5.996 6.156
114 H ARG 14 HN ARG 14 9.896 1.261 7.463
115 HA ARG 14 HA ARG 14 10.887 0.611 4.740
116 HB2 ARG 14 HB2 ARG 14 10.730 3.007 4.206
117 HB3 ARG 14 HB1 ARG 14 9.148 2.347 4.620
118 HG2 ARG 14 HG2 ARG 14 9.378 3.219 6.917
119 HG3 ARG 14 HG1 ARG 14 10.960 3.882 6.512
120 HD2 ARG 14 HD2 ARG 14 9.915 5.286 4.762
121 HD3 ARG 14 HD1 ARG 14 8.336 4.647 5.208
122 HE ARG 14 HE ARG 14 9.457 5.664 7.542
123 HH11 ARG 14 HH21 ARG 14 8.535 6.780 4.400
124 HH12 ARG 14 HH22 ARG 14 8.151 8.383 4.929
125 HH21 ARG 14 HH11 ARG 14 8.957 7.765 8.245
126 HH22 ARG 14 HH12 ARG 14 8.390 8.941 7.107
127 H ARG 15 HN ARG 15 12.983 1.237 4.265
128 HA ARG 15 HA ARG 15 14.596 2.404 6.456
129 HB2 ARG 15 HB2 ARG 15 15.232 -0.107 4.887
130 HB3 ARG 15 HB1 ARG 15 16.379 0.736 5.929
131 HG2 ARG 15 HG2 ARG 15 14.943 0.386 7.867
132 HG3 ARG 15 HG1 ARG 15 13.697 -0.339 6.850
133 HD2 ARG 15 HD2 ARG 15 14.972 -2.106 7.941
134 HD3 ARG 15 HD1 ARG 15 15.303 -2.131 6.212
135 HE ARG 15 HE ARG 15 17.209 -0.512 7.590
136 HH11 ARG 15 HH21 ARG 15 16.245 -3.770 6.939
137 HH12 ARG 15 HH22 ARG 15 17.834 -4.429 7.141
138 HH21 ARG 15 HH11 ARG 15 19.298 -1.368 7.857
139 HH22 ARG 15 HH12 ARG 15 19.562 -3.067 7.661
140 H CYS 16 HN CYS 16 15.532 4.164 5.703
141 HA CYS 16 HA CYS 16 16.131 4.399 2.818
142 HB2 CYS 16 HB2 CYS 16 15.946 6.496 4.992
143 HB3 CYS 16 HB1 CYS 16 16.315 6.819 3.298
144 H ARG 17 HN ARG 17 18.168 4.942 2.088
145 HA ARG 17 HA ARG 17 20.348 5.624 3.777
146 HB2 ARG 17 HB2 ARG 17 20.082 3.256 4.467
147 HB3 ARG 17 HB1 ARG 17 20.313 2.761 2.791
148 HG2 ARG 17 HG2 ARG 17 22.550 3.799 2.785
149 HG3 ARG 17 HG1 ARG 17 22.320 4.307 4.459
150 HD2 ARG 17 HD2 ARG 17 22.014 1.900 5.084
151 HD3 ARG 17 HD1 ARG 17 22.415 1.459 3.427
152 HE ARG 17 HE ARG 17 24.258 2.415 5.469
153 HH11 ARG 17 HH21 ARG 17 23.610 1.867 2.114
154 HH12 ARG 17 HH22 ARG 17 25.279 1.812 1.658
155 HH21 ARG 17 HH11 ARG 17 26.450 2.345 4.880
156 HH22 ARG 17 HH12 ARG 17 26.889 2.083 3.223
157 HN1 NH2 18 HN1 NH2 18 20.990 3.325 1.211
158 HN2 NH2 18 HN2 NH2 18 21.474 4.471 0.057
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 19.905 7.716 -2.904
2 H2 LYS 1 HT2 LYS 1 20.771 8.727 -1.849
3 H3 LYS 1 HT3 LYS 1 19.278 9.234 -2.481
4 HA LYS 1 HA LYS 1 19.771 7.077 -0.510
5 HB2 LYS 1 HB2 LYS 1 18.240 9.693 -0.460
6 HB3 LYS 1 HB1 LYS 1 18.154 8.481 0.819
7 HG2 LYS 1 HG2 LYS 1 20.587 8.652 1.160
8 HG3 LYS 1 HG1 LYS 1 20.687 9.856 -0.127
9 HD2 LYS 1 HD2 LYS 1 19.239 11.373 1.140
10 HD3 LYS 1 HD1 LYS 1 19.048 10.161 2.408
11 HE2 LYS 1 HE2 LYS 1 20.740 11.602 3.228
12 HE3 LYS 1 HE1 LYS 1 21.623 10.213 2.592
13 HZ1 LYS 1 HZ1 LYS 1 21.934 12.856 1.868
14 HZ2 LYS 1 HZ2 LYS 1 21.149 12.124 0.552
15 HZ3 LYS 1 HZ3 LYS 1 22.627 11.502 1.114
16 H TRP 2 HN TRP 2 18.622 5.316 -1.013
17 HA TRP 2 HA TRP 2 15.973 5.629 -2.317
18 HB2 TRP 2 HB2 TRP 2 17.924 3.312 -2.291
19 HB3 TRP 2 HB1 TRP 2 16.299 3.236 -2.974
20 HD1 TRP 2 HD1 TRP 2 19.710 4.869 -3.517
21 HE1 TRP 2 HE1 TRP 2 19.813 5.792 -5.922
22 HE3 TRP 2 HE3 TRP 2 14.875 4.096 -4.968
23 HZ2 TRP 2 HZ2 TRP 2 18.076 6.153 -8.164
24 HZ3 TRP 2 HZ3 TRP 2 14.127 4.738 -7.241
25 HH2 TRP 2 HH2 TRP 2 15.718 5.764 -8.840
26 H CYS 3 HN CYS 3 14.187 4.799 -1.353
27 HA CYS 3 HA CYS 3 14.530 3.292 1.180
28 HB2 CYS 3 HB2 CYS 3 12.525 5.491 0.623
29 HB3 CYS 3 HB1 CYS 3 12.628 4.539 2.105
30 H PHE 4 HN PHE 4 13.101 1.643 1.542
31 HA PHE 4 HA PHE 4 10.911 1.200 -0.387
32 HB2 PHE 4 HB2 PHE 4 13.025 -0.853 0.320
33 HB3 PHE 4 HB1 PHE 4 11.586 -1.153 -0.655
34 HD1 PHE 4 HD2 PHE 4 11.264 0.164 -2.809
35 HD2 PHE 4 HD1 PHE 4 14.975 0.103 -0.646
36 HE1 PHE 4 HE2 PHE 4 12.454 0.976 -4.828
37 HE2 PHE 4 HE1 PHE 4 16.165 0.913 -2.664
38 HZ PHE 4 HZ PHE 4 14.903 1.352 -4.756
39 H ARG 5 HN ARG 5 9.258 -0.194 0.377
40 HA ARG 5 HA ARG 5 9.391 -1.028 3.200
41 HB2 ARG 5 HB2 ARG 5 7.246 0.025 3.704
42 HB3 ARG 5 HB1 ARG 5 8.407 1.245 3.182
43 HG2 ARG 5 HG2 ARG 5 7.454 1.085 0.869
44 HG3 ARG 5 HG1 ARG 5 6.220 -0.007 1.497
45 HD2 ARG 5 HD2 ARG 5 5.483 1.743 3.079
46 HD3 ARG 5 HD1 ARG 5 6.690 2.840 2.414
47 HE ARG 5 HE ARG 5 4.907 1.756 0.418
48 HH11 ARG 5 HH21 ARG 5 5.410 4.202 2.814
49 HH12 ARG 5 HH22 ARG 5 4.330 5.337 2.078
50 HH21 ARG 5 HH11 ARG 5 3.492 3.238 -0.552
51 HH22 ARG 5 HH12 ARG 5 3.244 4.794 0.173
52 H VAL 6 HN VAL 6 8.440 -2.941 3.555
53 HA VAL 6 HA VAL 6 6.378 -3.945 1.718
54 HB VAL 6 HB VAL 6 8.393 -4.762 0.671
55 HG11 VAL 6 HG11 VAL 6 10.083 -6.020 1.905
56 HG12 VAL 6 HG12 VAL 6 9.150 -5.864 3.392
57 HG13 VAL 6 HG13 VAL 6 9.871 -4.437 2.650
58 HG21 VAL 6 HG21 VAL 6 6.405 -6.339 1.098
59 HG22 VAL 6 HG22 VAL 6 7.391 -7.054 2.373
60 HG23 VAL 6 HG23 VAL 6 7.944 -7.100 0.698
61 H CYS 7 HN CYS 7 4.944 -5.324 2.693
62 HA CYS 7 HA CYS 7 5.134 -5.564 5.600
63 HB2 CYS 7 HB2 CYS 7 2.965 -6.058 3.569
64 HB3 CYS 7 HB1 CYS 7 2.804 -6.646 5.225
65 H TYR 8 HN TYR 8 6.390 -7.208 6.294
66 HA TYR 8 HA TYR 8 6.213 -9.829 4.922
67 HB2 TYR 8 HB2 TYR 8 8.473 -8.864 5.099
68 HB3 TYR 8 HB1 TYR 8 8.301 -8.789 6.852
69 HD1 TYR 8 HD1 TYR 8 7.833 -11.281 4.070
70 HD2 TYR 8 HD2 TYR 8 9.215 -10.566 8.076
71 HE1 TYR 8 HE1 TYR 8 8.582 -13.637 4.237
72 HE2 TYR 8 HE2 TYR 8 9.957 -12.922 8.242
73 HH TYR 8 HH TYR 8 10.127 -14.870 7.207
74 H ARG 9 HN ARG 9 5.343 -8.145 7.781
75 HA ARG 9 HA ARG 9 4.394 -10.673 8.994
76 HB2 ARG 9 HB2 ARG 9 5.787 -8.417 10.463
77 HB3 ARG 9 HB1 ARG 9 5.031 -9.821 11.221
78 HG2 ARG 9 HG2 ARG 9 6.549 -11.316 9.997
79 HG3 ARG 9 HG1 ARG 9 7.293 -9.927 9.210
80 HD2 ARG 9 HD2 ARG 9 8.694 -10.587 11.076
81 HD3 ARG 9 HD1 ARG 9 7.928 -9.050 11.463
82 HE ARG 9 HE ARG 9 6.663 -10.129 13.113
83 HH11 ARG 9 HH21 ARG 9 8.396 -12.373 11.125
84 HH12 ARG 9 HH22 ARG 9 8.086 -13.734 12.152
85 HH21 ARG 9 HH11 ARG 9 6.256 -11.908 14.464
86 HH22 ARG 9 HH12 ARG 9 6.875 -13.471 14.041
87 H GLY 10 HN GLY 10 3.207 -8.380 7.428
88 HA2 GLY 10 HA2 GLY 10 0.938 -7.702 7.486
89 HA3 GLY 10 HA1 GLY 10 0.935 -7.898 9.235
90 H ILE 11 HN ILE 11 3.733 -6.428 8.833
91 HA ILE 11 HA ILE 11 2.610 -3.674 8.862
92 HB ILE 11 HB ILE 11 4.911 -4.810 10.473
93 HG12 ILE 11 HG12 ILE 11 2.250 -3.699 11.409
94 HG13 ILE 11 HG11 ILE 11 2.549 -5.420 11.179
95 HG21 ILE 11 HG21 ILE 11 4.729 -2.500 11.570
96 HG22 ILE 11 HG22 ILE 11 3.759 -2.027 10.174
97 HG23 ILE 11 HG23 ILE 11 5.433 -2.537 9.953
98 HD11 ILE 11 HD11 ILE 11 4.315 -5.402 12.834
99 HD12 ILE 11 HD12 ILE 11 2.894 -4.641 13.548
100 HD13 ILE 11 HD13 ILE 11 4.230 -3.645 12.969
101 H CYS 12 HN CYS 12 3.448 -2.329 7.387
102 HA CYS 12 HA CYS 12 5.728 -3.234 5.774
103 HB2 CYS 12 HB2 CYS 12 3.577 -1.165 5.441
104 HB3 CYS 12 HB1 CYS 12 5.056 -1.053 4.483
105 H TYR 13 HN TYR 13 7.484 -2.879 7.128
106 HA TYR 13 HA TYR 13 7.918 -0.279 8.341
107 HB2 TYR 13 HB2 TYR 13 8.690 -2.294 9.489
108 HB3 TYR 13 HB1 TYR 13 9.733 -2.689 8.124
109 HD1 TYR 13 HD1 TYR 13 9.085 -0.142 10.762
110 HD2 TYR 13 HD2 TYR 13 11.869 -1.668 7.869
111 HE1 TYR 13 HE1 TYR 13 10.856 1.319 11.697
112 HE2 TYR 13 HE2 TYR 13 13.641 -0.207 8.804
113 HH TYR 13 HH TYR 13 14.194 1.158 10.494
114 H ARG 14 HN ARG 14 9.212 1.307 7.617
115 HA ARG 14 HA ARG 14 10.192 1.105 4.857
116 HB2 ARG 14 HB2 ARG 14 10.432 3.539 4.996
117 HB3 ARG 14 HB1 ARG 14 8.814 3.048 5.491
118 HG2 ARG 14 HG2 ARG 14 9.520 3.167 7.868
119 HG3 ARG 14 HG1 ARG 14 11.115 3.719 7.353
120 HD2 ARG 14 HD2 ARG 14 10.072 5.671 6.248
121 HD3 ARG 14 HD1 ARG 14 8.493 5.135 6.813
122 HE ARG 14 HE ARG 14 10.400 5.436 8.952
123 HH11 ARG 14 HH21 ARG 14 8.156 7.035 6.861
124 HH12 ARG 14 HH22 ARG 14 7.856 8.344 7.955
125 HH21 ARG 14 HH11 ARG 14 10.012 7.147 10.393
126 HH22 ARG 14 HH12 ARG 14 8.908 8.408 9.955
127 H ARG 15 HN ARG 15 12.305 1.242 4.272
128 HA ARG 15 HA ARG 15 14.345 1.709 6.354
129 HB2 ARG 15 HB2 ARG 15 14.004 -0.745 6.162
130 HB3 ARG 15 HB1 ARG 15 14.381 -0.640 4.443
131 HG2 ARG 15 HG2 ARG 15 16.614 0.247 4.969
132 HG3 ARG 15 HG1 ARG 15 16.240 0.191 6.691
133 HD2 ARG 15 HD2 ARG 15 16.195 -2.230 4.874
134 HD3 ARG 15 HD1 ARG 15 17.570 -1.780 5.875
135 HE ARG 15 HE ARG 15 15.316 -1.894 7.537
136 HH11 ARG 15 HH21 ARG 15 17.249 -3.953 5.541
137 HH12 ARG 15 HH22 ARG 15 16.977 -5.369 6.501
138 HH21 ARG 15 HH11 ARG 15 14.955 -3.745 8.802
139 HH22 ARG 15 HH12 ARG 15 15.678 -5.250 8.347
140 H CYS 16 HN CYS 16 15.960 2.960 5.667
141 HA CYS 16 HA CYS 16 16.250 3.457 2.750
142 HB2 CYS 16 HB2 CYS 16 16.714 5.357 5.061
143 HB3 CYS 16 HB1 CYS 16 16.983 5.726 3.359
144 H ARG 17 HN ARG 17 18.257 3.315 1.894
145 HA ARG 17 HA ARG 17 20.410 2.328 3.649
146 HB2 ARG 17 HB2 ARG 17 20.114 2.331 0.635
147 HB3 ARG 17 HB1 ARG 17 21.500 1.679 1.509
148 HG2 ARG 17 HG2 ARG 17 20.045 0.086 2.675
149 HG3 ARG 17 HG1 ARG 17 18.631 0.762 1.865
150 HD2 ARG 17 HD2 ARG 17 19.326 -1.257 0.692
151 HD3 ARG 17 HD1 ARG 17 19.638 0.144 -0.330
152 HE ARG 17 HE ARG 17 21.936 -0.226 -0.078
153 HH11 ARG 17 HH21 ARG 17 20.065 -2.201 2.060
154 HH12 ARG 17 HH22 ARG 17 21.398 -3.212 2.515
155 HH21 ARG 17 HH11 ARG 17 23.688 -1.547 0.514
156 HH22 ARG 17 HH12 ARG 17 23.449 -2.841 1.639
157 HN1 NH2 18 HN1 NH2 18 19.468 5.244 2.105
158 HN2 NH2 18 HN2 NH2 18 20.975 6.019 2.165
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 20.341 5.141 -2.342
2 H2 LYS 1 HT2 LYS 1 21.559 6.317 -2.213
3 H3 LYS 1 HT3 LYS 1 20.358 6.463 -3.405
4 HA LYS 1 HA LYS 1 19.953 6.641 -0.472
5 HB2 LYS 1 HB2 LYS 1 19.341 8.990 -1.001
6 HB3 LYS 1 HB1 LYS 1 21.014 8.634 -1.427
7 HG2 LYS 1 HG2 LYS 1 20.334 8.259 -3.774
8 HG3 LYS 1 HG1 LYS 1 18.668 8.641 -3.352
9 HD2 LYS 1 HD2 LYS 1 19.360 10.894 -2.629
10 HD3 LYS 1 HD1 LYS 1 21.030 10.517 -3.057
11 HE2 LYS 1 HE2 LYS 1 20.363 10.166 -5.400
12 HE3 LYS 1 HE1 LYS 1 18.685 10.518 -4.982
13 HZ1 LYS 1 HZ1 LYS 1 20.986 12.333 -5.124
14 HZ2 LYS 1 HZ2 LYS 1 19.737 12.685 -4.028
15 HZ3 LYS 1 HZ3 LYS 1 19.402 12.555 -5.689
16 H TRP 2 HN TRP 2 18.637 4.680 -1.981
17 HA TRP 2 HA TRP 2 15.938 5.808 -2.454
18 HB2 TRP 2 HB2 TRP 2 17.219 3.218 -3.354
19 HB3 TRP 2 HB1 TRP 2 15.518 3.617 -3.600
20 HD1 TRP 2 HD1 TRP 2 19.014 4.525 -4.760
21 HE1 TRP 2 HE1 TRP 2 18.847 6.019 -6.853
22 HE3 TRP 2 HE3 TRP 2 13.981 5.371 -4.834
23 HZ2 TRP 2 HZ2 TRP 2 16.840 7.394 -8.361
24 HZ3 TRP 2 HZ3 TRP 2 12.969 6.776 -6.606
25 HH2 TRP 2 HH2 TRP 2 14.390 7.787 -8.368
26 H CYS 3 HN CYS 3 14.235 5.162 -1.250
27 HA CYS 3 HA CYS 3 14.808 3.467 1.092
28 HB2 CYS 3 HB2 CYS 3 12.337 5.126 0.561
29 HB3 CYS 3 HB1 CYS 3 12.889 4.471 2.103
30 H PHE 4 HN PHE 4 13.137 1.917 1.768
31 HA PHE 4 HA PHE 4 11.561 0.787 -0.476
32 HB2 PHE 4 HB2 PHE 4 13.340 -0.700 1.472
33 HB3 PHE 4 HB1 PHE 4 12.162 -1.480 0.414
34 HD1 PHE 4 HD2 PHE 4 12.446 -1.448 -2.034
35 HD2 PHE 4 HD1 PHE 4 15.383 0.269 0.589
36 HE1 PHE 4 HE2 PHE 4 14.079 -1.396 -3.899
37 HE2 PHE 4 HE1 PHE 4 17.016 0.321 -1.276
38 HZ PHE 4 HZ PHE 4 16.365 -0.511 -3.519
39 H ARG 5 HN ARG 5 9.658 -0.270 0.100
40 HA ARG 5 HA ARG 5 8.828 -0.236 2.926
41 HB2 ARG 5 HB2 ARG 5 8.090 1.920 1.951
42 HB3 ARG 5 HB1 ARG 5 7.220 1.039 0.696
43 HG2 ARG 5 HG2 ARG 5 5.813 -0.044 2.384
44 HG3 ARG 5 HG1 ARG 5 6.719 0.750 3.673
45 HD2 ARG 5 HD2 ARG 5 6.001 2.946 2.861
46 HD3 ARG 5 HD1 ARG 5 5.157 2.191 1.512
47 HE ARG 5 HE ARG 5 3.452 1.551 2.977
48 HH11 ARG 5 HH21 ARG 5 6.215 2.766 4.666
49 HH12 ARG 5 HH22 ARG 5 5.408 2.870 6.195
50 HH21 ARG 5 HH11 ARG 5 2.386 1.685 4.980
51 HH22 ARG 5 HH12 ARG 5 3.241 2.257 6.372
52 H VAL 6 HN VAL 6 8.816 -2.481 2.934
53 HA VAL 6 HA VAL 6 6.664 -3.743 1.325
54 HB VAL 6 HB VAL 6 9.445 -4.811 1.872
55 HG11 VAL 6 HG11 VAL 6 6.936 -6.172 0.870
56 HG12 VAL 6 HG12 VAL 6 7.986 -6.670 2.197
57 HG13 VAL 6 HG13 VAL 6 8.547 -6.801 0.528
58 HG21 VAL 6 HG21 VAL 6 9.157 -3.257 -0.063
59 HG22 VAL 6 HG22 VAL 6 7.922 -4.337 -0.710
60 HG23 VAL 6 HG23 VAL 6 9.590 -4.891 -0.566
61 H CYS 7 HN CYS 7 5.267 -4.936 2.486
62 HA CYS 7 HA CYS 7 5.797 -5.277 5.370
63 HB2 CYS 7 HB2 CYS 7 3.624 -4.236 4.232
64 HB3 CYS 7 HB1 CYS 7 3.141 -5.929 4.145
65 H TYR 8 HN TYR 8 6.108 -7.228 6.273
66 HA TYR 8 HA TYR 8 6.156 -9.582 4.510
67 HB2 TYR 8 HB2 TYR 8 7.252 -9.101 7.290
68 HB3 TYR 8 HB1 TYR 8 7.378 -10.629 6.420
69 HD1 TYR 8 HD2 TYR 8 8.644 -10.740 4.262
70 HD2 TYR 8 HD1 TYR 8 8.649 -7.231 6.740
71 HE1 TYR 8 HE2 TYR 8 10.638 -9.891 3.057
72 HE2 TYR 8 HE1 TYR 8 10.644 -6.383 5.538
73 HH TYR 8 HH TYR 8 11.894 -8.009 2.678
74 H ARG 9 HN ARG 9 5.520 -9.443 7.990
75 HA ARG 9 HA ARG 9 3.044 -11.025 7.554
76 HB2 ARG 9 HB2 ARG 9 5.027 -11.009 9.836
77 HB3 ARG 9 HB1 ARG 9 3.449 -11.791 9.929
78 HG2 ARG 9 HG2 ARG 9 4.010 -13.189 7.988
79 HG3 ARG 9 HG1 ARG 9 5.576 -12.393 7.853
80 HD2 ARG 9 HD2 ARG 9 6.198 -13.201 10.090
81 HD3 ARG 9 HD1 ARG 9 4.623 -13.973 10.258
82 HE ARG 9 HE ARG 9 5.332 -15.664 8.802
83 HH11 ARG 9 HH21 ARG 9 7.558 -13.018 8.898
84 HH12 ARG 9 HH22 ARG 9 8.817 -13.865 8.061
85 HH21 ARG 9 HH11 ARG 9 6.978 -16.783 7.705
86 HH22 ARG 9 HH12 ARG 9 8.488 -15.997 7.386
87 H GLY 10 HN GLY 10 2.817 -8.314 7.286
88 HA2 GLY 10 HA2 GLY 10 1.153 -6.818 8.000
89 HA3 GLY 10 HA1 GLY 10 1.088 -7.652 9.550
90 H ILE 11 HN ILE 11 4.283 -7.241 8.873
91 HA ILE 11 HA ILE 11 4.464 -4.875 10.621
92 HB ILE 11 HB ILE 11 6.939 -5.550 10.633
93 HG12 ILE 11 HG12 ILE 11 5.814 -8.145 9.547
94 HG13 ILE 11 HG11 ILE 11 6.671 -6.980 8.539
95 HG21 ILE 11 HG21 ILE 11 4.908 -7.552 11.667
96 HG22 ILE 11 HG22 ILE 11 5.327 -6.038 12.466
97 HG23 ILE 11 HG23 ILE 11 6.540 -7.307 12.289
98 HD11 ILE 11 HD11 ILE 11 8.664 -7.175 9.912
99 HD12 ILE 11 HD12 ILE 11 8.154 -8.795 9.437
100 HD13 ILE 11 HD13 ILE 11 7.815 -8.204 11.064
101 H CYS 12 HN CYS 12 3.687 -3.586 8.712
102 HA CYS 12 HA CYS 12 5.550 -3.224 6.527
103 HB2 CYS 12 HB2 CYS 12 3.344 -1.270 7.073
104 HB3 CYS 12 HB1 CYS 12 3.897 -1.941 5.538
105 H TYR 13 HN TYR 13 7.348 -2.076 6.707
106 HA TYR 13 HA TYR 13 7.317 0.473 8.168
107 HB2 TYR 13 HB2 TYR 13 9.254 -1.783 8.724
108 HB3 TYR 13 HB1 TYR 13 9.497 -0.120 9.258
109 HD1 TYR 13 HD2 TYR 13 7.848 0.945 10.816
110 HD2 TYR 13 HD1 TYR 13 7.701 -3.236 9.838
111 HE1 TYR 13 HE2 TYR 13 6.388 0.536 12.779
112 HE2 TYR 13 HE1 TYR 13 6.243 -3.644 11.802
113 HH TYR 13 HH TYR 13 5.890 -2.370 14.124
114 H ARG 14 HN ARG 14 8.749 1.978 7.388
115 HA ARG 14 HA ARG 14 9.735 1.517 4.711
116 HB2 ARG 14 HB2 ARG 14 9.911 3.915 6.552
117 HB3 ARG 14 HB1 ARG 14 10.473 3.898 4.880
118 HG2 ARG 14 HG2 ARG 14 8.208 3.342 4.104
119 HG3 ARG 14 HG1 ARG 14 7.635 3.316 5.772
120 HD2 ARG 14 HD2 ARG 14 8.921 5.735 4.484
121 HD3 ARG 14 HD1 ARG 14 7.179 5.478 4.552
122 HE ARG 14 HE ARG 14 8.185 5.220 7.159
123 HH11 ARG 14 HH21 ARG 14 7.864 7.581 4.652
124 HH12 ARG 14 HH22 ARG 14 7.730 8.922 5.740
125 HH21 ARG 14 HH11 ARG 14 8.009 6.970 8.593
126 HH22 ARG 14 HH12 ARG 14 7.812 8.575 7.974
127 H ARG 15 HN ARG 15 11.864 1.457 4.037
128 HA ARG 15 HA ARG 15 13.961 1.412 6.126
129 HB2 ARG 15 HB2 ARG 15 13.333 -0.916 5.555
130 HB3 ARG 15 HB1 ARG 15 13.674 -0.583 3.859
131 HG2 ARG 15 HG2 ARG 15 15.592 -1.704 4.916
132 HG3 ARG 15 HG1 ARG 15 16.031 -0.066 4.438
133 HD2 ARG 15 HD2 ARG 15 16.110 0.697 6.638
134 HD3 ARG 15 HD1 ARG 15 14.972 -0.517 7.217
135 HE ARG 15 HE ARG 15 17.073 -2.047 6.536
136 HH11 ARG 15 HH21 ARG 15 16.831 0.939 8.271
137 HH12 ARG 15 HH22 ARG 15 18.204 0.626 9.278
138 HH21 ARG 15 HH11 ARG 15 18.875 -2.466 7.858
139 HH22 ARG 15 HH12 ARG 15 19.361 -1.302 9.043
140 H CYS 16 HN CYS 16 15.533 2.794 5.657
141 HA CYS 16 HA CYS 16 16.352 3.204 2.870
142 HB2 CYS 16 HB2 CYS 16 14.558 4.945 3.859
143 HB3 CYS 16 HB1 CYS 16 16.022 5.698 4.487
144 H ARG 17 HN ARG 17 18.407 4.336 2.698
145 HA ARG 17 HA ARG 17 20.011 4.864 5.001
146 HB2 ARG 17 HB2 ARG 17 19.970 2.386 5.102
147 HB3 ARG 17 HB1 ARG 17 20.652 2.329 3.476
148 HG2 ARG 17 HG2 ARG 17 22.649 3.518 4.235
149 HG3 ARG 17 HG1 ARG 17 21.963 3.685 5.850
150 HD2 ARG 17 HD2 ARG 17 23.508 1.809 5.848
151 HD3 ARG 17 HD1 ARG 17 21.866 1.197 6.023
152 HE ARG 17 HE ARG 17 22.624 1.265 3.274
153 HH11 ARG 17 HH21 ARG 17 23.082 -0.428 6.259
154 HH12 ARG 17 HH22 ARG 17 23.469 -1.938 5.503
155 HH21 ARG 17 HH11 ARG 17 23.133 -0.714 2.277
156 HH22 ARG 17 HH12 ARG 17 23.497 -2.099 3.249
157 HN1 NH2 18 HN1 NH2 18 19.803 4.283 1.518
158 HN2 NH2 18 HN2 NH2 18 21.096 5.301 1.103
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 19.625 7.025 -2.733
2 H2 LYS 1 HT2 LYS 1 18.660 6.851 -1.345
3 H3 LYS 1 HT3 LYS 1 19.310 8.369 -1.746
4 HA LYS 1 HA LYS 1 17.150 8.593 -2.460
5 HB2 LYS 1 HB2 LYS 1 18.818 7.511 -4.742
6 HB3 LYS 1 HB1 LYS 1 17.245 8.270 -4.975
7 HG2 LYS 1 HG2 LYS 1 18.059 10.323 -3.891
8 HG3 LYS 1 HG1 LYS 1 19.631 9.567 -3.630
9 HD2 LYS 1 HD2 LYS 1 19.984 9.358 -6.030
10 HD3 LYS 1 HD1 LYS 1 18.364 9.978 -6.351
11 HE2 LYS 1 HE2 LYS 1 20.041 11.758 -6.635
12 HE3 LYS 1 HE1 LYS 1 18.975 12.120 -5.276
13 HZ1 LYS 1 HZ1 LYS 1 21.426 10.608 -4.752
14 HZ2 LYS 1 HZ2 LYS 1 20.606 11.719 -3.763
15 HZ3 LYS 1 HZ3 LYS 1 21.569 12.272 -5.050
16 H TRP 2 HN TRP 2 18.223 5.448 -2.107
17 HA TRP 2 HA TRP 2 15.669 4.293 -3.089
18 HB2 TRP 2 HB2 TRP 2 18.205 2.770 -2.493
19 HB3 TRP 2 HB1 TRP 2 16.797 2.231 -3.408
20 HD1 TRP 2 HD1 TRP 2 16.276 4.049 -5.610
21 HE1 TRP 2 HE1 TRP 2 18.016 4.816 -7.351
22 HE3 TRP 2 HE3 TRP 2 20.570 3.108 -3.029
23 HZ2 TRP 2 HZ2 TRP 2 20.862 5.007 -7.612
24 HZ3 TRP 2 HZ3 TRP 2 22.782 3.589 -4.039
25 HH2 TRP 2 HH2 TRP 2 22.933 4.536 -6.326
26 H CYS 3 HN CYS 3 14.452 3.059 -1.716
27 HA CYS 3 HA CYS 3 15.432 2.605 1.026
28 HB2 CYS 3 HB2 CYS 3 14.096 4.736 0.949
29 HB3 CYS 3 HB1 CYS 3 12.707 3.778 0.438
30 H PHE 4 HN PHE 4 14.451 0.866 2.091
31 HA PHE 4 HA PHE 4 12.982 -0.993 0.311
32 HB2 PHE 4 HB2 PHE 4 14.605 -1.571 2.801
33 HB3 PHE 4 HB1 PHE 4 13.831 -2.769 1.765
34 HD1 PHE 4 HD2 PHE 4 14.522 -2.886 -0.691
35 HD2 PHE 4 HD1 PHE 4 16.753 -0.716 2.271
36 HE1 PHE 4 HE2 PHE 4 16.505 -2.891 -2.180
37 HE2 PHE 4 HE1 PHE 4 18.736 -0.721 0.781
38 HZ PHE 4 HZ PHE 4 18.612 -1.809 -1.444
39 H ARG 5 HN ARG 5 10.855 -0.927 0.678
40 HA ARG 5 HA ARG 5 9.924 -1.091 3.471
41 HB2 ARG 5 HB2 ARG 5 9.706 1.274 2.750
42 HB3 ARG 5 HB1 ARG 5 8.707 0.749 1.395
43 HG2 ARG 5 HG2 ARG 5 7.069 -0.225 2.964
44 HG3 ARG 5 HG1 ARG 5 8.073 0.274 4.324
45 HD2 ARG 5 HD2 ARG 5 7.835 2.644 3.554
46 HD3 ARG 5 HD1 ARG 5 6.712 2.088 2.315
47 HE ARG 5 HE ARG 5 6.196 2.265 5.181
48 HH11 ARG 5 HH21 ARG 5 5.269 1.025 2.084
49 HH12 ARG 5 HH22 ARG 5 3.626 0.732 2.540
50 HH21 ARG 5 HH11 ARG 5 4.040 1.882 5.784
51 HH22 ARG 5 HH12 ARG 5 2.929 1.216 4.633
52 H VAL 6 HN VAL 6 9.345 -3.238 3.268
53 HA VAL 6 HA VAL 6 7.116 -3.813 1.395
54 HB VAL 6 HB VAL 6 9.504 -5.552 2.054
55 HG11 VAL 6 HG11 VAL 6 8.277 -7.190 0.493
56 HG12 VAL 6 HG12 VAL 6 6.833 -6.227 0.808
57 HG13 VAL 6 HG13 VAL 6 7.653 -7.046 2.137
58 HG21 VAL 6 HG21 VAL 6 8.354 -4.415 -0.513
59 HG22 VAL 6 HG22 VAL 6 9.664 -5.593 -0.455
60 HG23 VAL 6 HG23 VAL 6 9.891 -3.986 0.234
61 H CYS 7 HN CYS 7 5.364 -4.691 2.320
62 HA CYS 7 HA CYS 7 5.439 -5.272 5.202
63 HB2 CYS 7 HB2 CYS 7 3.090 -5.059 3.301
64 HB3 CYS 7 HB1 CYS 7 2.998 -5.202 5.056
65 H TYR 8 HN TYR 8 5.406 -7.309 5.971
66 HA TYR 8 HA TYR 8 5.184 -9.524 4.067
67 HB2 TYR 8 HB2 TYR 8 6.998 -9.304 5.888
68 HB3 TYR 8 HB1 TYR 8 5.734 -9.775 7.023
69 HD1 TYR 8 HD2 TYR 8 4.571 -11.993 6.748
70 HD2 TYR 8 HD1 TYR 8 7.993 -10.886 4.399
71 HE1 TYR 8 HE2 TYR 8 4.904 -14.367 6.115
72 HE2 TYR 8 HE1 TYR 8 8.324 -13.260 3.764
73 HH TYR 8 HH TYR 8 6.642 -15.373 3.606
74 H ARG 9 HN ARG 9 3.661 -8.437 7.093
75 HA ARG 9 HA ARG 9 1.111 -9.486 6.297
76 HB2 ARG 9 HB2 ARG 9 0.906 -11.095 8.186
77 HB3 ARG 9 HB1 ARG 9 2.107 -11.589 6.993
78 HG2 ARG 9 HG2 ARG 9 3.878 -10.537 8.436
79 HG3 ARG 9 HG1 ARG 9 2.643 -10.251 9.660
80 HD2 ARG 9 HD2 ARG 9 3.350 -12.969 8.523
81 HD3 ARG 9 HD1 ARG 9 3.907 -12.352 10.077
82 HE ARG 9 HE ARG 9 1.238 -13.318 9.447
83 HH11 ARG 9 HH21 ARG 9 3.262 -11.442 11.535
84 HH12 ARG 9 HH22 ARG 9 2.184 -11.529 12.887
85 HH21 ARG 9 HH11 ARG 9 -0.183 -13.433 11.213
86 HH22 ARG 9 HH12 ARG 9 0.232 -12.657 12.705
87 H GLY 10 HN GLY 10 1.898 -6.947 6.953
88 HA2 GLY 10 HA2 GLY 10 0.560 -5.335 8.145
89 HA3 GLY 10 HA1 GLY 10 0.434 -6.470 9.488
90 H ILE 11 HN ILE 11 3.409 -7.069 8.965
91 HA ILE 11 HA ILE 11 4.425 -5.009 10.779
92 HB ILE 11 HB ILE 11 6.511 -6.495 10.671
93 HG12 ILE 11 HG12 ILE 11 4.556 -8.446 9.423
94 HG13 ILE 11 HG11 ILE 11 5.763 -7.569 8.483
95 HG21 ILE 11 HG21 ILE 11 4.997 -6.598 12.561
96 HG22 ILE 11 HG22 ILE 11 5.422 -8.247 12.104
97 HG23 ILE 11 HG23 ILE 11 3.855 -7.581 11.645
98 HD11 ILE 11 HD11 ILE 11 7.568 -8.618 9.611
99 HD12 ILE 11 HD12 ILE 11 6.417 -9.920 9.306
100 HD13 ILE 11 HD13 ILE 11 6.525 -9.196 10.912
101 H CYS 12 HN CYS 12 4.104 -3.414 8.949
102 HA CYS 12 HA CYS 12 5.918 -3.520 6.723
103 HB2 CYS 12 HB2 CYS 12 4.318 -1.204 7.839
104 HB3 CYS 12 HB1 CYS 12 5.136 -1.234 6.277
105 H TYR 13 HN TYR 13 7.991 -2.978 6.712
106 HA TYR 13 HA TYR 13 9.053 -1.261 8.890
107 HB2 TYR 13 HB2 TYR 13 10.334 -3.566 7.413
108 HB3 TYR 13 HB1 TYR 13 11.235 -2.437 8.424
109 HD1 TYR 13 HD2 TYR 13 10.158 -2.001 10.821
110 HD2 TYR 13 HD1 TYR 13 9.491 -5.506 8.428
111 HE1 TYR 13 HE2 TYR 13 9.493 -3.260 12.851
112 HE2 TYR 13 HE1 TYR 13 8.828 -6.765 10.461
113 HH TYR 13 HH TYR 13 8.065 -6.420 12.665
114 H ARG 14 HN ARG 14 10.698 0.210 8.339
115 HA ARG 14 HA ARG 14 10.945 0.838 5.453
116 HB2 ARG 14 HB2 ARG 14 10.863 3.224 6.041
117 HB3 ARG 14 HB1 ARG 14 9.377 2.408 6.526
118 HG2 ARG 14 HG2 ARG 14 10.290 2.182 8.834
119 HG3 ARG 14 HG1 ARG 14 11.716 3.091 8.334
120 HD2 ARG 14 HD2 ARG 14 10.180 4.629 9.390
121 HD3 ARG 14 HD1 ARG 14 10.211 4.978 7.664
122 HE ARG 14 HE ARG 14 8.135 3.132 8.205
123 HH11 ARG 14 HH21 ARG 14 9.059 6.426 8.725
124 HH12 ARG 14 HH22 ARG 14 7.433 7.019 8.769
125 HH21 ARG 14 HH11 ARG 14 6.001 3.901 8.261
126 HH22 ARG 14 HH12 ARG 14 5.702 5.589 8.506
127 H ARG 15 HN ARG 15 12.954 1.325 4.754
128 HA ARG 15 HA ARG 15 15.080 1.936 6.683
129 HB2 ARG 15 HB2 ARG 15 15.039 -0.543 6.516
130 HB3 ARG 15 HB1 ARG 15 15.275 -0.407 4.773
131 HG2 ARG 15 HG2 ARG 15 17.409 0.760 5.132
132 HG3 ARG 15 HG1 ARG 15 17.170 0.679 6.878
133 HD2 ARG 15 HD2 ARG 15 17.093 -1.821 6.686
134 HD3 ARG 15 HD1 ARG 15 17.511 -1.660 4.982
135 HE ARG 15 HE ARG 15 19.406 -0.242 6.518
136 HH11 ARG 15 HH21 ARG 15 18.310 -3.457 5.863
137 HH12 ARG 15 HH22 ARG 15 19.849 -4.192 6.162
138 HH21 ARG 15 HH11 ARG 15 21.428 -1.197 6.912
139 HH22 ARG 15 HH12 ARG 15 21.616 -2.911 6.756
140 H CYS 16 HN CYS 16 15.094 3.972 5.652
141 HA CYS 16 HA CYS 16 16.002 4.003 2.831
142 HB2 CYS 16 HB2 CYS 16 15.108 6.417 4.396
143 HB3 CYS 16 HB1 CYS 16 15.119 6.166 2.650
144 H ARG 17 HN ARG 17 17.969 4.757 2.301
145 HA ARG 17 HA ARG 17 19.778 5.537 4.498
146 HB2 ARG 17 HB2 ARG 17 20.266 4.512 1.699
147 HB3 ARG 17 HB1 ARG 17 21.553 5.136 2.732
148 HG2 ARG 17 HG2 ARG 17 21.013 3.465 4.448
149 HG3 ARG 17 HG1 ARG 17 19.691 2.854 3.454
150 HD2 ARG 17 HD2 ARG 17 21.286 2.243 1.686
151 HD3 ARG 17 HD1 ARG 17 22.615 2.874 2.655
152 HE ARG 17 HE ARG 17 21.178 0.371 3.088
153 HH11 ARG 17 HH21 ARG 17 23.315 2.801 4.316
154 HH12 ARG 17 HH22 ARG 17 24.023 1.770 5.514
155 HH21 ARG 17 HH11 ARG 17 22.101 -0.987 4.656
156 HH22 ARG 17 HH12 ARG 17 23.335 -0.375 5.707
157 HN1 NH2 18 HN1 NH2 18 17.987 6.986 1.968
158 HN2 NH2 18 HN2 NH2 18 18.867 8.434 1.872
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 19.528 7.936 -1.437
2 H2 LYS 1 HT2 LYS 1 19.813 8.072 -3.106
3 H3 LYS 1 HT3 LYS 1 18.961 6.736 -2.492
4 HA LYS 1 HA LYS 1 17.698 9.129 -1.677
5 HB2 LYS 1 HB2 LYS 1 18.222 8.759 -4.639
6 HB3 LYS 1 HB1 LYS 1 16.948 9.791 -3.991
7 HG2 LYS 1 HG2 LYS 1 18.602 11.137 -2.790
8 HG3 LYS 1 HG1 LYS 1 19.894 10.068 -3.329
9 HD2 LYS 1 HD2 LYS 1 19.985 11.897 -4.834
10 HD3 LYS 1 HD1 LYS 1 19.146 10.631 -5.726
11 HE2 LYS 1 HE2 LYS 1 17.015 11.655 -5.368
12 HE3 LYS 1 HE1 LYS 1 17.664 12.748 -4.146
13 HZ1 LYS 1 HZ1 LYS 1 18.040 12.808 -7.068
14 HZ2 LYS 1 HZ2 LYS 1 19.171 13.550 -6.039
15 HZ3 LYS 1 HZ3 LYS 1 17.549 14.056 -6.029
16 H TRP 2 HN TRP 2 17.975 5.965 -2.632
17 HA TRP 2 HA TRP 2 15.065 5.608 -3.058
18 HB2 TRP 2 HB2 TRP 2 17.445 3.878 -3.748
19 HB3 TRP 2 HB1 TRP 2 15.779 3.305 -3.836
20 HD1 TRP 2 HD1 TRP 2 18.273 5.557 -5.557
21 HE1 TRP 2 HE1 TRP 2 17.268 6.416 -7.771
22 HE3 TRP 2 HE3 TRP 2 13.463 3.935 -5.024
23 HZ2 TRP 2 HZ2 TRP 2 14.751 6.415 -9.133
24 HZ3 TRP 2 HZ3 TRP 2 11.783 4.378 -6.792
25 HH2 TRP 2 HH2 TRP 2 12.420 5.616 -8.843
26 H CYS 3 HN CYS 3 13.882 4.552 -1.583
27 HA CYS 3 HA CYS 3 15.278 3.414 0.774
28 HB2 CYS 3 HB2 CYS 3 13.656 5.388 1.035
29 HB3 CYS 3 HB1 CYS 3 12.376 4.232 0.664
30 H PHE 4 HN PHE 4 14.200 1.554 1.805
31 HA PHE 4 HA PHE 4 12.737 -0.164 -0.124
32 HB2 PHE 4 HB2 PHE 4 15.021 -0.949 1.698
33 HB3 PHE 4 HB1 PHE 4 14.009 -2.094 0.819
34 HD1 PHE 4 HD2 PHE 4 13.858 -1.878 -1.725
35 HD2 PHE 4 HD1 PHE 4 16.848 0.119 0.626
36 HE1 PHE 4 HE2 PHE 4 15.242 -1.561 -3.756
37 HE2 PHE 4 HE1 PHE 4 18.233 0.435 -1.406
38 HZ PHE 4 HZ PHE 4 17.431 -0.404 -3.597
39 H ARG 5 HN ARG 5 11.171 -1.478 0.719
40 HA ARG 5 HA ARG 5 10.776 -1.666 3.593
41 HB2 ARG 5 HB2 ARG 5 8.499 -0.718 3.510
42 HB3 ARG 5 HB1 ARG 5 9.715 0.485 3.083
43 HG2 ARG 5 HG2 ARG 5 9.278 0.086 0.688
44 HG3 ARG 5 HG1 ARG 5 8.061 -1.119 1.108
45 HD2 ARG 5 HD2 ARG 5 6.770 0.610 2.311
46 HD3 ARG 5 HD1 ARG 5 7.976 1.814 1.864
47 HE ARG 5 HE ARG 5 7.140 0.646 -0.513
48 HH11 ARG 5 HH21 ARG 5 5.750 2.380 2.141
49 HH12 ARG 5 HH22 ARG 5 4.504 3.111 1.189
50 HH21 ARG 5 HH11 ARG 5 5.509 1.602 -1.768
51 HH22 ARG 5 HH12 ARG 5 4.366 2.672 -1.023
52 H VAL 6 HN VAL 6 9.511 -3.406 4.174
53 HA VAL 6 HA VAL 6 8.127 -4.929 2.067
54 HB VAL 6 HB VAL 6 10.418 -5.857 2.203
55 HG11 VAL 6 HG11 VAL 6 11.230 -6.851 4.251
56 HG12 VAL 6 HG12 VAL 6 9.701 -6.529 5.070
57 HG13 VAL 6 HG13 VAL 6 10.755 -5.192 4.613
58 HG21 VAL 6 HG21 VAL 6 8.407 -7.707 3.515
59 HG22 VAL 6 HG22 VAL 6 9.748 -8.160 2.465
60 HG23 VAL 6 HG23 VAL 6 8.363 -7.291 1.801
61 H CYS 7 HN CYS 7 6.327 -5.969 2.774
62 HA CYS 7 HA CYS 7 5.815 -6.062 5.691
63 HB2 CYS 7 HB2 CYS 7 4.635 -4.178 4.219
64 HB3 CYS 7 HB1 CYS 7 3.533 -5.497 3.835
65 H TYR 8 HN TYR 8 4.874 -7.887 6.432
66 HA TYR 8 HA TYR 8 4.404 -10.047 4.470
67 HB2 TYR 8 HB2 TYR 8 4.913 -10.138 7.453
68 HB3 TYR 8 HB1 TYR 8 4.651 -11.546 6.423
69 HD1 TYR 8 HD1 TYR 8 6.937 -8.745 7.194
70 HD2 TYR 8 HD2 TYR 8 6.343 -12.304 4.863
71 HE1 TYR 8 HE1 TYR 8 9.332 -8.724 6.552
72 HE2 TYR 8 HE2 TYR 8 8.740 -12.284 4.222
73 HH TYR 8 HH TYR 8 11.036 -10.795 5.741
74 H ARG 9 HN ARG 9 3.070 -9.109 7.652
75 HA ARG 9 HA ARG 9 0.345 -9.428 6.570
76 HB2 ARG 9 HB2 ARG 9 1.388 -10.762 9.081
77 HB3 ARG 9 HB1 ARG 9 -0.304 -10.717 8.582
78 HG2 ARG 9 HG2 ARG 9 0.276 -11.881 6.490
79 HG3 ARG 9 HG1 ARG 9 1.969 -11.927 6.981
80 HD2 ARG 9 HD2 ARG 9 0.951 -14.064 7.516
81 HD3 ARG 9 HD1 ARG 9 1.306 -13.210 9.014
82 HE ARG 9 HE ARG 9 -1.339 -12.612 8.189
83 HH11 ARG 9 HH21 ARG 9 0.627 -15.180 9.418
84 HH12 ARG 9 HH22 ARG 9 -0.669 -15.955 10.263
85 HH21 ARG 9 HH11 ARG 9 -3.045 -13.619 9.296
86 HH22 ARG 9 HH12 ARG 9 -2.751 -15.070 10.196
87 H GLY 10 HN GLY 10 1.113 -6.997 6.788
88 HA2 GLY 10 HA2 GLY 10 0.174 -5.057 7.733
89 HA3 GLY 10 HA1 GLY 10 -0.238 -5.972 9.180
90 H ILE 11 HN ILE 11 2.790 -6.926 8.614
91 HA ILE 11 HA ILE 11 3.951 -4.898 10.426
92 HB ILE 11 HB ILE 11 4.894 -7.675 9.658
93 HG12 ILE 11 HG12 ILE 11 3.880 -6.648 12.322
94 HG13 ILE 11 HG11 ILE 11 2.846 -7.468 11.150
95 HG21 ILE 11 HG21 ILE 11 6.494 -7.279 11.581
96 HG22 ILE 11 HG22 ILE 11 6.017 -5.582 11.538
97 HG23 ILE 11 HG23 ILE 11 6.818 -6.309 10.145
98 HD11 ILE 11 HD11 ILE 11 5.396 -8.640 12.301
99 HD12 ILE 11 HD12 ILE 11 4.253 -9.457 11.237
100 HD13 ILE 11 HD13 ILE 11 3.774 -9.023 12.877
101 H CYS 12 HN CYS 12 4.324 -3.294 8.827
102 HA CYS 12 HA CYS 12 6.261 -3.992 6.699
103 HB2 CYS 12 HB2 CYS 12 4.956 -1.298 6.828
104 HB3 CYS 12 HB1 CYS 12 5.365 -2.286 5.424
105 H TYR 13 HN TYR 13 8.244 -3.068 6.593
106 HA TYR 13 HA TYR 13 9.007 -1.154 8.733
107 HB2 TYR 13 HB2 TYR 13 10.568 -3.490 7.611
108 HB3 TYR 13 HB1 TYR 13 11.290 -2.218 8.596
109 HD1 TYR 13 HD2 TYR 13 9.903 -1.656 10.826
110 HD2 TYR 13 HD1 TYR 13 9.808 -5.406 8.726
111 HE1 TYR 13 HE2 TYR 13 9.134 -2.793 12.889
112 HE2 TYR 13 HE1 TYR 13 9.044 -6.541 10.794
113 HH TYR 13 HH TYR 13 9.316 -5.958 13.418
114 H ARG 14 HN ARG 14 10.672 0.330 8.200
115 HA ARG 14 HA ARG 14 11.105 0.744 5.289
116 HB2 ARG 14 HB2 ARG 14 10.477 2.800 7.421
117 HB3 ARG 14 HB1 ARG 14 11.031 3.197 5.795
118 HG2 ARG 14 HG2 ARG 14 9.084 2.043 4.832
119 HG3 ARG 14 HG1 ARG 14 8.535 1.605 6.451
120 HD2 ARG 14 HD2 ARG 14 8.963 4.464 5.552
121 HD3 ARG 14 HD1 ARG 14 7.404 3.645 5.478
122 HE ARG 14 HE ARG 14 8.366 3.364 8.092
123 HH11 ARG 14 HH21 ARG 14 7.435 5.857 5.880
124 HH12 ARG 14 HH22 ARG 14 6.855 6.927 7.112
125 HH21 ARG 14 HH11 ARG 14 7.602 4.762 9.716
126 HH22 ARG 14 HH12 ARG 14 6.948 6.306 9.284
127 H ARG 15 HN ARG 15 13.137 1.325 4.675
128 HA ARG 15 HA ARG 15 15.130 2.064 6.696
129 HB2 ARG 15 HB2 ARG 15 15.176 -0.419 6.601
130 HB3 ARG 15 HB1 ARG 15 15.500 -0.325 4.870
131 HG2 ARG 15 HG2 ARG 15 17.574 0.950 5.333
132 HG3 ARG 15 HG1 ARG 15 17.251 0.832 7.064
133 HD2 ARG 15 HD2 ARG 15 17.559 -1.560 5.232
134 HD3 ARG 15 HD1 ARG 15 18.866 -0.895 6.208
135 HE ARG 15 HE ARG 15 16.688 -1.387 7.910
136 HH11 ARG 15 HH21 ARG 15 18.920 -3.078 5.879
137 HH12 ARG 15 HH22 ARG 15 18.910 -4.523 6.835
138 HH21 ARG 15 HH11 ARG 15 16.671 -3.279 9.171
139 HH22 ARG 15 HH12 ARG 15 17.638 -4.636 8.699
140 H CYS 16 HN CYS 16 15.377 4.041 5.709
141 HA CYS 16 HA CYS 16 16.169 4.087 2.859
142 HB2 CYS 16 HB2 CYS 16 15.628 6.504 4.576
143 HB3 CYS 16 HB1 CYS 16 15.542 6.353 2.820
144 H ARG 17 HN ARG 17 18.162 4.775 2.227
145 HA ARG 17 HA ARG 17 20.061 5.711 4.302
146 HB2 ARG 17 HB2 ARG 17 20.581 3.557 2.234
147 HB3 ARG 17 HB1 ARG 17 21.797 4.259 3.302
148 HG2 ARG 17 HG2 ARG 17 20.574 3.465 5.269
149 HG3 ARG 17 HG1 ARG 17 19.292 2.827 4.238
150 HD2 ARG 17 HD2 ARG 17 20.767 0.998 4.847
151 HD3 ARG 17 HD1 ARG 17 20.984 1.349 3.136
152 HE ARG 17 HE ARG 17 23.138 2.156 3.600
153 HH11 ARG 17 HH21 ARG 17 21.342 1.475 6.483
154 HH12 ARG 17 HH22 ARG 17 22.715 1.597 7.530
155 HH21 ARG 17 HH11 ARG 17 24.940 2.320 4.974
156 HH22 ARG 17 HH12 ARG 17 24.750 2.076 6.679
157 HN1 NH2 18 HN1 NH2 18 18.526 6.761 1.701
158 HN2 NH2 18 HN2 NH2 18 19.767 7.584 0.884
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 19.863 7.413 -3.200
2 H2 LYS 1 HT2 LYS 1 21.040 8.069 -2.166
3 H3 LYS 1 HT3 LYS 1 19.852 9.071 -2.849
4 HA LYS 1 HA LYS 1 19.695 7.292 -0.559
5 HB2 LYS 1 HB2 LYS 1 19.618 9.776 -0.413
6 HB3 LYS 1 HB1 LYS 1 18.153 9.766 -1.395
7 HG2 LYS 1 HG2 LYS 1 16.981 8.453 0.295
8 HG3 LYS 1 HG1 LYS 1 18.452 8.331 1.259
9 HD2 LYS 1 HD2 LYS 1 18.486 10.795 1.505
10 HD3 LYS 1 HD1 LYS 1 16.992 10.900 0.572
11 HE2 LYS 1 HE2 LYS 1 17.277 9.318 3.143
12 HE3 LYS 1 HE1 LYS 1 16.624 10.953 3.057
13 HZ1 LYS 1 HZ1 LYS 1 15.043 9.995 1.331
14 HZ2 LYS 1 HZ2 LYS 1 14.770 9.576 2.954
15 HZ3 LYS 1 HZ3 LYS 1 15.516 8.470 1.904
16 H TRP 2 HN TRP 2 18.760 5.369 -1.174
17 HA TRP 2 HA TRP 2 16.129 5.514 -2.537
18 HB2 TRP 2 HB2 TRP 2 17.909 3.089 -2.265
19 HB3 TRP 2 HB1 TRP 2 16.501 3.285 -3.306
20 HD1 TRP 2 HD1 TRP 2 20.058 4.696 -2.854
21 HE1 TRP 2 HE1 TRP 2 20.896 5.526 -5.146
22 HE3 TRP 2 HE3 TRP 2 15.851 3.957 -5.651
23 HZ2 TRP 2 HZ2 TRP 2 19.912 5.835 -7.814
24 HZ3 TRP 2 HZ3 TRP 2 15.829 4.528 -8.064
25 HH2 TRP 2 HH2 TRP 2 17.851 5.464 -9.147
26 H CYS 3 HN CYS 3 14.357 4.604 -1.599
27 HA CYS 3 HA CYS 3 14.722 3.428 1.104
28 HB2 CYS 3 HB2 CYS 3 12.506 5.227 0.101
29 HB3 CYS 3 HB1 CYS 3 12.519 4.420 1.668
30 H PHE 4 HN PHE 4 13.335 1.754 1.692
31 HA PHE 4 HA PHE 4 11.727 0.564 -0.496
32 HB2 PHE 4 HB2 PHE 4 13.636 -0.852 1.376
33 HB3 PHE 4 HB1 PHE 4 12.479 -1.669 0.324
34 HD1 PHE 4 HD2 PHE 4 12.635 -1.371 -2.170
35 HD2 PHE 4 HD1 PHE 4 15.676 0.047 0.512
36 HE1 PHE 4 HE2 PHE 4 14.222 -1.187 -4.066
37 HE2 PHE 4 HE1 PHE 4 17.264 0.230 -1.383
38 HZ PHE 4 HZ PHE 4 16.537 -0.387 -3.674
39 H ARG 5 HN ARG 5 9.931 -0.662 0.159
40 HA ARG 5 HA ARG 5 9.214 -0.638 3.009
41 HB2 ARG 5 HB2 ARG 5 6.877 0.216 2.214
42 HB3 ARG 5 HB1 ARG 5 8.173 1.384 2.465
43 HG2 ARG 5 HG2 ARG 5 8.681 1.417 0.088
44 HG3 ARG 5 HG1 ARG 5 7.511 0.136 -0.216
45 HD2 ARG 5 HD2 ARG 5 6.517 2.291 -0.778
46 HD3 ARG 5 HD1 ARG 5 5.701 1.611 0.627
47 HE ARG 5 HE ARG 5 7.853 3.314 1.420
48 HH11 ARG 5 HH21 ARG 5 4.633 3.276 0.154
49 HH12 ARG 5 HH22 ARG 5 4.206 4.818 0.815
50 HH21 ARG 5 HH11 ARG 5 7.301 5.337 2.292
51 HH22 ARG 5 HH12 ARG 5 5.716 5.986 2.026
52 H VAL 6 HN VAL 6 9.099 -2.825 3.181
53 HA VAL 6 HA VAL 6 7.119 -4.195 1.446
54 HB VAL 6 HB VAL 6 9.816 -5.192 2.373
55 HG11 VAL 6 HG11 VAL 6 7.417 -6.649 1.242
56 HG12 VAL 6 HG12 VAL 6 8.334 -7.035 2.700
57 HG13 VAL 6 HG13 VAL 6 9.052 -7.296 1.111
58 HG21 VAL 6 HG21 VAL 6 8.552 -4.909 -0.372
59 HG22 VAL 6 HG22 VAL 6 10.179 -5.505 -0.039
60 HG23 VAL 6 HG23 VAL 6 9.767 -3.825 0.304
61 H CYS 7 HN CYS 7 5.579 -5.276 2.496
62 HA CYS 7 HA CYS 7 5.659 -5.327 5.419
63 HB2 CYS 7 HB2 CYS 7 3.401 -6.314 3.685
64 HB3 CYS 7 HB1 CYS 7 3.335 -5.704 5.340
65 H TYR 8 HN TYR 8 5.998 -7.102 6.615
66 HA TYR 8 HA TYR 8 6.753 -9.557 5.285
67 HB2 TYR 8 HB2 TYR 8 7.909 -8.562 7.330
68 HB3 TYR 8 HB1 TYR 8 6.516 -9.110 8.258
69 HD1 TYR 8 HD1 TYR 8 8.895 -10.418 5.660
70 HD2 TYR 8 HD2 TYR 8 6.623 -11.239 9.213
71 HE1 TYR 8 HE1 TYR 8 9.857 -12.701 5.749
72 HE2 TYR 8 HE2 TYR 8 7.584 -13.521 9.301
73 HH TYR 8 HH TYR 8 8.616 -15.155 7.385
74 H ARG 9 HN ARG 9 4.720 -9.207 8.171
75 HA ARG 9 HA ARG 9 2.571 -10.715 6.876
76 HB2 ARG 9 HB2 ARG 9 4.026 -11.632 9.363
77 HB3 ARG 9 HB1 ARG 9 2.468 -12.270 8.837
78 HG2 ARG 9 HG2 ARG 9 3.513 -12.877 6.650
79 HG3 ARG 9 HG1 ARG 9 5.071 -12.361 7.286
80 HD2 ARG 9 HD2 ARG 9 3.338 -14.488 8.567
81 HD3 ARG 9 HD1 ARG 9 4.689 -14.829 7.490
82 HE ARG 9 HE ARG 9 5.607 -13.147 9.552
83 HH11 ARG 9 HH21 ARG 9 4.372 -16.338 9.034
84 HH12 ARG 9 HH22 ARG 9 5.240 -17.039 10.359
85 HH21 ARG 9 HH11 ARG 9 6.747 -14.057 11.291
86 HH22 ARG 9 HH12 ARG 9 6.585 -15.747 11.638
87 H GLY 10 HN GLY 10 2.156 -8.201 7.288
88 HA2 GLY 10 HA2 GLY 10 0.150 -7.240 8.295
89 HA3 GLY 10 HA1 GLY 10 0.559 -8.064 9.793
90 H ILE 11 HN ILE 11 3.471 -7.324 9.251
91 HA ILE 11 HA ILE 11 3.291 -4.569 10.331
92 HB ILE 11 HB ILE 11 5.494 -6.626 10.604
93 HG12 ILE 11 HG12 ILE 11 3.621 -5.515 12.711
94 HG13 ILE 11 HG11 ILE 11 3.323 -7.034 11.865
95 HG21 ILE 11 HG21 ILE 11 5.149 -3.804 11.645
96 HG22 ILE 11 HG22 ILE 11 6.459 -4.426 10.643
97 HG23 ILE 11 HG23 ILE 11 6.313 -4.942 12.322
98 HD11 ILE 11 HD11 ILE 11 5.522 -7.880 12.645
99 HD12 ILE 11 HD12 ILE 11 4.465 -7.466 13.995
100 HD13 ILE 11 HD13 ILE 11 5.771 -6.375 13.532
101 H CYS 12 HN CYS 12 3.924 -2.972 9.054
102 HA CYS 12 HA CYS 12 5.929 -3.544 6.945
103 HB2 CYS 12 HB2 CYS 12 3.295 -3.004 6.429
104 HB3 CYS 12 HB1 CYS 12 3.978 -1.382 6.391
105 H TYR 13 HN TYR 13 7.488 -2.020 6.619
106 HA TYR 13 HA TYR 13 7.327 0.566 7.953
107 HB2 TYR 13 HB2 TYR 13 9.507 0.211 9.112
108 HB3 TYR 13 HB1 TYR 13 8.209 -0.801 9.749
109 HD1 TYR 13 HD1 TYR 13 11.289 -0.751 7.712
110 HD2 TYR 13 HD2 TYR 13 8.189 -3.204 9.395
111 HE1 TYR 13 HE1 TYR 13 12.620 -2.782 7.207
112 HE2 TYR 13 HE2 TYR 13 9.520 -5.234 8.887
113 HH TYR 13 HH TYR 13 11.656 -5.947 8.367
114 H ARG 14 HN ARG 14 9.057 2.004 7.311
115 HA ARG 14 HA ARG 14 10.163 1.279 4.664
116 HB2 ARG 14 HB2 ARG 14 10.330 3.731 4.317
117 HB3 ARG 14 HB1 ARG 14 8.672 3.196 4.600
118 HG2 ARG 14 HG2 ARG 14 8.847 3.853 6.964
119 HG3 ARG 14 HG1 ARG 14 10.516 4.362 6.709
120 HD2 ARG 14 HD2 ARG 14 8.144 5.514 5.221
121 HD3 ARG 14 HD1 ARG 14 8.877 6.256 6.639
122 HE ARG 14 HE ARG 14 10.934 5.819 4.804
123 HH11 ARG 14 HH21 ARG 14 7.974 7.595 5.058
124 HH12 ARG 14 HH22 ARG 14 8.495 8.879 4.019
125 HH21 ARG 14 HH11 ARG 14 11.623 7.502 3.442
126 HH22 ARG 14 HH12 ARG 14 10.560 8.827 3.106
127 H ARG 15 HN ARG 15 12.315 1.497 4.239
128 HA ARG 15 HA ARG 15 14.074 2.541 6.365
129 HB2 ARG 15 HB2 ARG 15 13.910 0.084 6.667
130 HB3 ARG 15 HB1 ARG 15 14.463 -0.137 5.006
131 HG2 ARG 15 HG2 ARG 15 16.572 0.986 5.518
132 HG3 ARG 15 HG1 ARG 15 16.019 1.331 7.156
133 HD2 ARG 15 HD2 ARG 15 16.312 -1.459 6.013
134 HD3 ARG 15 HD1 ARG 15 17.526 -0.668 7.011
135 HE ARG 15 HE ARG 15 15.067 -0.577 8.376
136 HH11 ARG 15 HH21 ARG 15 17.444 -2.830 7.260
137 HH12 ARG 15 HH22 ARG 15 17.146 -3.980 8.521
138 HH21 ARG 15 HH11 ARG 15 14.672 -2.081 10.034
139 HH22 ARG 15 HH12 ARG 15 15.577 -3.556 10.090
140 H CYS 16 HN CYS 16 15.933 3.492 5.634
141 HA CYS 16 HA CYS 16 16.437 3.434 2.713
142 HB2 CYS 16 HB2 CYS 16 16.684 5.923 4.401
143 HB3 CYS 16 HB1 CYS 16 16.737 5.787 2.644
144 H ARG 17 HN ARG 17 18.581 3.637 2.092
145 HA ARG 17 HA ARG 17 20.616 3.771 4.227
146 HB2 ARG 17 HB2 ARG 17 20.397 1.604 2.123
147 HB3 ARG 17 HB1 ARG 17 21.819 1.873 3.133
148 HG2 ARG 17 HG2 ARG 17 20.507 1.481 5.153
149 HG3 ARG 17 HG1 ARG 17 19.034 1.320 4.197
150 HD2 ARG 17 HD2 ARG 17 19.861 -0.900 4.736
151 HD3 ARG 17 HD1 ARG 17 20.064 -0.618 3.010
152 HE ARG 17 HE ARG 17 22.419 0.144 4.410
153 HH11 ARG 17 HH21 ARG 17 20.568 -2.596 3.389
154 HH12 ARG 17 HH22 ARG 17 21.934 -3.655 3.289
155 HH21 ARG 17 HH11 ARG 17 24.215 -1.240 4.283
156 HH22 ARG 17 HH12 ARG 17 23.999 -2.888 3.796
157 HN1 NH2 18 HN1 NH2 18 19.538 5.060 1.375
158 HN2 NH2 18 HN2 NH2 18 21.019 5.570 0.721
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 19.502 6.822 -4.459
2 H2 LYS 1 HT2 LYS 1 17.962 6.438 -5.064
3 H3 LYS 1 HT3 LYS 1 19.061 5.200 -4.683
4 HA LYS 1 HA LYS 1 18.992 5.905 -2.333
5 HB2 LYS 1 HB2 LYS 1 16.829 7.706 -3.456
6 HB3 LYS 1 HB1 LYS 1 17.018 7.364 -1.736
7 HG2 LYS 1 HG2 LYS 1 19.319 8.253 -1.809
8 HG3 LYS 1 HG1 LYS 1 19.132 8.597 -3.529
9 HD2 LYS 1 HD2 LYS 1 17.264 10.128 -3.022
10 HD3 LYS 1 HD1 LYS 1 17.449 9.787 -1.301
11 HE2 LYS 1 HE2 LYS 1 19.761 10.666 -1.383
12 HE3 LYS 1 HE1 LYS 1 19.557 11.029 -3.096
13 HZ1 LYS 1 HZ1 LYS 1 18.171 12.756 -2.667
14 HZ2 LYS 1 HZ2 LYS 1 19.089 12.813 -1.238
15 HZ3 LYS 1 HZ3 LYS 1 17.558 12.077 -1.239
16 H TRP 2 HN TRP 2 18.350 3.946 -1.685
17 HA TRP 2 HA TRP 2 15.744 2.900 -2.652
18 HB2 TRP 2 HB2 TRP 2 18.021 1.317 -1.451
19 HB3 TRP 2 HB1 TRP 2 16.598 0.698 -2.292
20 HD1 TRP 2 HD1 TRP 2 19.738 2.830 -2.984
21 HE1 TRP 2 HE1 TRP 2 20.367 2.556 -5.468
22 HE3 TRP 2 HE3 TRP 2 15.830 -0.050 -4.574
23 HZ2 TRP 2 HZ2 TRP 2 19.349 1.284 -7.819
24 HZ3 TRP 2 HZ3 TRP 2 15.685 -0.778 -6.937
25 HH2 TRP 2 HH2 TRP 2 17.438 -0.116 -8.561
26 H CYS 3 HN CYS 3 14.209 2.300 -1.216
27 HA CYS 3 HA CYS 3 14.839 2.572 1.674
28 HB2 CYS 3 HB2 CYS 3 12.393 3.514 0.171
29 HB3 CYS 3 HB1 CYS 3 12.489 3.412 1.928
30 H PHE 4 HN PHE 4 13.892 1.107 3.050
31 HA PHE 4 HA PHE 4 12.726 -1.270 1.744
32 HB2 PHE 4 HB2 PHE 4 13.963 -0.869 4.476
33 HB3 PHE 4 HB1 PHE 4 13.235 -2.378 3.924
34 HD1 PHE 4 HD2 PHE 4 14.212 -3.617 2.001
35 HD2 PHE 4 HD1 PHE 4 16.113 -0.144 3.664
36 HE1 PHE 4 HE2 PHE 4 16.323 -4.217 0.842
37 HE2 PHE 4 HE1 PHE 4 18.222 -0.742 2.506
38 HZ PHE 4 HZ PHE 4 18.327 -2.779 1.095
39 H ARG 5 HN ARG 5 10.686 0.031 1.518
40 HA ARG 5 HA ARG 5 9.117 0.001 4.042
41 HB2 ARG 5 HB2 ARG 5 9.362 2.240 3.014
42 HB3 ARG 5 HB1 ARG 5 8.615 1.623 1.539
43 HG2 ARG 5 HG2 ARG 5 6.578 1.043 2.810
44 HG3 ARG 5 HG1 ARG 5 7.326 1.648 4.285
45 HD2 ARG 5 HD2 ARG 5 7.573 3.878 3.144
46 HD3 ARG 5 HD1 ARG 5 6.633 3.236 1.801
47 HE ARG 5 HE ARG 5 5.625 3.984 4.424
48 HH11 ARG 5 HH21 ARG 5 5.149 2.207 1.494
49 HH12 ARG 5 HH22 ARG 5 3.425 2.146 1.649
50 HH21 ARG 5 HH11 ARG 5 3.367 3.910 4.633
51 HH22 ARG 5 HH12 ARG 5 2.416 3.110 3.427
52 H VAL 6 HN VAL 6 8.793 -2.297 3.682
53 HA VAL 6 HA VAL 6 6.473 -2.762 1.926
54 HB VAL 6 HB VAL 6 8.317 -3.506 0.558
55 HG11 VAL 6 HG11 VAL 6 9.185 -4.998 3.049
56 HG12 VAL 6 HG12 VAL 6 10.062 -3.714 2.218
57 HG13 VAL 6 HG13 VAL 6 9.863 -5.287 1.449
58 HG21 VAL 6 HG21 VAL 6 7.665 -5.788 0.221
59 HG22 VAL 6 HG22 VAL 6 6.233 -4.960 0.833
60 HG23 VAL 6 HG23 VAL 6 7.196 -5.975 1.909
61 H CYS 7 HN CYS 7 5.104 -4.414 2.623
62 HA CYS 7 HA CYS 7 5.476 -5.179 5.432
63 HB2 CYS 7 HB2 CYS 7 3.189 -4.670 3.677
64 HB3 CYS 7 HB1 CYS 7 2.994 -6.152 4.611
65 H TYR 8 HN TYR 8 6.508 -7.025 5.794
66 HA TYR 8 HA TYR 8 6.803 -9.078 3.840
67 HB2 TYR 8 HB2 TYR 8 7.343 -8.990 6.813
68 HB3 TYR 8 HB1 TYR 8 7.696 -10.401 5.814
69 HD1 TYR 8 HD1 TYR 8 8.448 -6.786 6.281
70 HD2 TYR 8 HD2 TYR 8 9.599 -10.461 4.377
71 HE1 TYR 8 HE1 TYR 8 10.578 -5.743 5.557
72 HE2 TYR 8 HE2 TYR 8 11.729 -9.418 3.651
73 HH TYR 8 HH TYR 8 12.887 -7.513 3.509
74 H ARG 9 HN ARG 9 4.807 -8.683 6.724
75 HA ARG 9 HA ARG 9 2.774 -10.434 5.661
76 HB2 ARG 9 HB2 ARG 9 2.813 -11.928 7.689
77 HB3 ARG 9 HB1 ARG 9 4.188 -12.143 6.603
78 HG2 ARG 9 HG2 ARG 9 5.548 -10.657 8.034
79 HG3 ARG 9 HG1 ARG 9 4.177 -10.456 9.125
80 HD2 ARG 9 HD2 ARG 9 4.166 -12.868 9.585
81 HD3 ARG 9 HD1 ARG 9 5.504 -13.100 8.464
82 HE ARG 9 HE ARG 9 5.655 -11.967 11.148
83 HH11 ARG 9 HH21 ARG 9 7.127 -12.441 8.052
84 HH12 ARG 9 HH22 ARG 9 8.742 -12.188 8.627
85 HH21 ARG 9 HH11 ARG 9 7.771 -11.633 11.908
86 HH22 ARG 9 HH12 ARG 9 9.105 -11.730 10.810
87 H GLY 10 HN GLY 10 2.539 -7.815 6.125
88 HA2 GLY 10 HA2 GLY 10 0.681 -6.645 7.062
89 HA3 GLY 10 HA1 GLY 10 0.730 -7.717 8.459
90 H ILE 11 HN ILE 11 3.836 -7.260 8.167
91 HA ILE 11 HA ILE 11 3.859 -4.905 9.955
92 HB ILE 11 HB ILE 11 5.968 -7.017 9.424
93 HG12 ILE 11 HG12 ILE 11 4.266 -6.543 11.890
94 HG13 ILE 11 HG11 ILE 11 3.863 -7.732 10.651
95 HG21 ILE 11 HG21 ILE 11 7.020 -5.984 11.463
96 HG22 ILE 11 HG22 ILE 11 5.832 -4.685 11.359
97 HG23 ILE 11 HG23 ILE 11 7.006 -4.914 10.064
98 HD11 ILE 11 HD11 ILE 11 6.063 -8.824 11.005
99 HD12 ILE 11 HD12 ILE 11 5.095 -8.808 12.481
100 HD13 ILE 11 HD13 ILE 11 6.419 -7.660 12.281
101 H CYS 12 HN CYS 12 3.926 -3.136 8.647
102 HA CYS 12 HA CYS 12 5.728 -3.051 6.354
103 HB2 CYS 12 HB2 CYS 12 3.677 -1.161 7.486
104 HB3 CYS 12 HB1 CYS 12 4.792 -0.659 6.215
105 H TYR 13 HN TYR 13 7.748 -2.360 6.461
106 HA TYR 13 HA TYR 13 8.658 -0.937 8.880
107 HB2 TYR 13 HB2 TYR 13 10.150 -2.356 6.663
108 HB3 TYR 13 HB1 TYR 13 10.935 -1.453 7.959
109 HD1 TYR 13 HD2 TYR 13 10.619 -2.164 10.344
110 HD2 TYR 13 HD1 TYR 13 9.219 -4.528 7.041
111 HE1 TYR 13 HE2 TYR 13 10.412 -4.131 11.840
112 HE2 TYR 13 HE1 TYR 13 9.011 -6.494 8.540
113 HH TYR 13 HH TYR 13 9.103 -7.218 10.645
114 H ARG 14 HN ARG 14 10.601 0.598 8.279
115 HA ARG 14 HA ARG 14 10.250 2.110 5.841
116 HB2 ARG 14 HB2 ARG 14 8.404 2.989 7.236
117 HB3 ARG 14 HB1 ARG 14 9.568 3.411 8.491
118 HG2 ARG 14 HG2 ARG 14 10.706 4.952 6.995
119 HG3 ARG 14 HG1 ARG 14 9.678 4.458 5.649
120 HD2 ARG 14 HD2 ARG 14 8.632 5.702 8.206
121 HD3 ARG 14 HD1 ARG 14 8.969 6.615 6.737
122 HE ARG 14 HE ARG 14 7.275 4.481 6.056
123 HH11 ARG 14 HH21 ARG 14 7.296 7.365 7.969
124 HH12 ARG 14 HH22 ARG 14 5.599 7.659 7.797
125 HH21 ARG 14 HH11 ARG 14 5.048 4.861 5.823
126 HH22 ARG 14 HH12 ARG 14 4.326 6.241 6.581
127 H ARG 15 HN ARG 15 12.407 1.929 5.420
128 HA ARG 15 HA ARG 15 14.201 3.508 7.127
129 HB2 ARG 15 HB2 ARG 15 14.414 1.165 7.911
130 HB3 ARG 15 HB1 ARG 15 14.852 0.679 6.271
131 HG2 ARG 15 HG2 ARG 15 16.811 2.135 6.320
132 HG3 ARG 15 HG1 ARG 15 16.355 2.740 7.914
133 HD2 ARG 15 HD2 ARG 15 18.069 1.025 8.164
134 HD3 ARG 15 HD1 ARG 15 16.545 0.429 8.813
135 HE ARG 15 HE ARG 15 16.436 -1.117 7.057
136 HH11 ARG 15 HH21 ARG 15 18.980 1.186 6.618
137 HH12 ARG 15 HH22 ARG 15 19.731 0.317 5.322
138 HH21 ARG 15 HH11 ARG 15 17.413 -2.263 5.355
139 HH22 ARG 15 HH12 ARG 15 18.843 -1.634 4.606
140 H CYS 16 HN CYS 16 15.627 4.668 5.975
141 HA CYS 16 HA CYS 16 16.014 3.989 3.112
142 HB2 CYS 16 HB2 CYS 16 15.510 6.715 4.321
143 HB3 CYS 16 HB1 CYS 16 16.033 6.439 2.659
144 H ARG 17 HN ARG 17 17.939 5.103 2.182
145 HA ARG 17 HA ARG 17 20.022 5.871 4.068
146 HB2 ARG 17 HB2 ARG 17 20.149 3.391 4.028
147 HB3 ARG 17 HB1 ARG 17 20.383 3.454 2.282
148 HG2 ARG 17 HG2 ARG 17 22.434 4.756 2.566
149 HG3 ARG 17 HG1 ARG 17 22.188 4.802 4.313
150 HD2 ARG 17 HD2 ARG 17 22.514 2.255 2.704
151 HD3 ARG 17 HD1 ARG 17 23.817 3.043 3.588
152 HE ARG 17 HE ARG 17 21.764 2.680 5.419
153 HH11 ARG 17 HH21 ARG 17 23.738 0.746 3.339
154 HH12 ARG 17 HH22 ARG 17 23.705 -0.644 4.371
155 HH21 ARG 17 HH11 ARG 17 21.716 0.862 6.779
156 HH22 ARG 17 HH12 ARG 17 22.560 -0.578 6.319
157 HN1 NH2 18 HN1 NH2 18 19.050 5.297 0.685
158 HN2 NH2 18 HN2 NH2 18 20.080 6.473 0.033
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 20.817 8.195 -1.187
2 H2 LYS 1 HT2 LYS 1 19.527 8.224 -2.293
3 H3 LYS 1 HT3 LYS 1 20.275 6.751 -1.893
4 HA LYS 1 HA LYS 1 19.431 6.803 0.309
5 HB2 LYS 1 HB2 LYS 1 18.108 9.440 -0.352
6 HB3 LYS 1 HB1 LYS 1 18.281 8.674 1.225
7 HG2 LYS 1 HG2 LYS 1 20.032 10.179 1.402
8 HG3 LYS 1 HG1 LYS 1 20.899 8.874 0.607
9 HD2 LYS 1 HD2 LYS 1 21.476 10.634 -0.797
10 HD3 LYS 1 HD1 LYS 1 20.011 10.087 -1.607
11 HE2 LYS 1 HE2 LYS 1 20.420 12.498 0.145
12 HE3 LYS 1 HE1 LYS 1 19.639 12.391 -1.431
13 HZ1 LYS 1 HZ1 LYS 1 17.726 11.516 -0.521
14 HZ2 LYS 1 HZ2 LYS 1 18.195 12.631 0.671
15 HZ3 LYS 1 HZ3 LYS 1 18.499 10.973 0.886
16 H TRP 2 HN TRP 2 18.652 5.300 -1.628
17 HA TRP 2 HA TRP 2 15.931 5.863 -2.507
18 HB2 TRP 2 HB2 TRP 2 17.790 3.515 -2.942
19 HB3 TRP 2 HB1 TRP 2 16.159 3.617 -3.609
20 HD1 TRP 2 HD1 TRP 2 19.587 5.325 -3.802
21 HE1 TRP 2 HE1 TRP 2 19.721 6.651 -6.009
22 HE3 TRP 2 HE3 TRP 2 14.799 4.734 -5.482
23 HZ2 TRP 2 HZ2 TRP 2 18.025 7.364 -8.197
24 HZ3 TRP 2 HZ3 TRP 2 14.089 5.743 -7.630
25 HH2 TRP 2 HH2 TRP 2 15.693 7.058 -8.989
26 H CYS 3 HN CYS 3 14.593 5.788 -0.739
27 HA CYS 3 HA CYS 3 14.762 3.566 1.141
28 HB2 CYS 3 HB2 CYS 3 12.840 5.901 0.976
29 HB3 CYS 3 HB1 CYS 3 12.917 4.732 2.294
30 H PHE 4 HN PHE 4 13.287 1.925 1.341
31 HA PHE 4 HA PHE 4 11.059 1.794 -0.610
32 HB2 PHE 4 HB2 PHE 4 13.029 -0.423 0.013
33 HB3 PHE 4 HB1 PHE 4 11.585 -0.591 -0.984
34 HD1 PHE 4 HD2 PHE 4 11.365 0.781 -3.094
35 HD2 PHE 4 HD1 PHE 4 15.030 0.534 -0.865
36 HE1 PHE 4 HE2 PHE 4 12.619 1.622 -5.062
37 HE2 PHE 4 HE1 PHE 4 16.283 1.376 -2.833
38 HZ PHE 4 HZ PHE 4 15.078 1.921 -4.931
39 H ARG 5 HN ARG 5 9.321 0.414 0.016
40 HA ARG 5 HA ARG 5 9.211 -0.152 2.931
41 HB2 ARG 5 HB2 ARG 5 6.789 0.305 2.778
42 HB3 ARG 5 HB1 ARG 5 7.747 1.712 2.326
43 HG2 ARG 5 HG2 ARG 5 7.461 1.119 -0.069
44 HG3 ARG 5 HG1 ARG 5 6.451 -0.246 0.407
45 HD2 ARG 5 HD2 ARG 5 5.848 2.624 1.149
46 HD3 ARG 5 HD1 ARG 5 5.153 1.806 -0.247
47 HE ARG 5 HE ARG 5 4.698 0.219 2.038
48 HH11 ARG 5 HH21 ARG 5 3.819 3.260 0.643
49 HH12 ARG 5 HH22 ARG 5 2.260 3.312 1.397
50 HH21 ARG 5 HH11 ARG 5 2.657 0.281 3.032
51 HH22 ARG 5 HH12 ARG 5 1.602 1.625 2.750
52 H VAL 6 HN VAL 6 8.614 -2.144 3.555
53 HA VAL 6 HA VAL 6 7.348 -3.981 1.641
54 HB VAL 6 HB VAL 6 9.687 -4.419 1.274
55 HG11 VAL 6 HG11 VAL 6 9.897 -4.670 4.289
56 HG12 VAL 6 HG12 VAL 6 10.547 -3.348 3.319
57 HG13 VAL 6 HG13 VAL 6 11.200 -4.977 3.142
58 HG21 VAL 6 HG21 VAL 6 8.035 -6.355 1.667
59 HG22 VAL 6 HG22 VAL 6 8.790 -6.526 3.251
60 HG23 VAL 6 HG23 VAL 6 9.751 -6.742 1.788
61 H CYS 7 HN CYS 7 6.149 -5.605 2.601
62 HA CYS 7 HA CYS 7 5.779 -5.369 5.538
63 HB2 CYS 7 HB2 CYS 7 3.815 -6.515 3.549
64 HB3 CYS 7 HB1 CYS 7 3.511 -6.011 5.213
65 H TYR 8 HN TYR 8 6.158 -7.096 6.795
66 HA TYR 8 HA TYR 8 6.924 -9.638 5.488
67 HB2 TYR 8 HB2 TYR 8 7.527 -8.546 8.245
68 HB3 TYR 8 HB1 TYR 8 8.050 -10.119 7.646
69 HD1 TYR 8 HD2 TYR 8 9.639 -10.273 5.738
70 HD2 TYR 8 HD1 TYR 8 8.578 -6.509 7.514
71 HE1 TYR 8 HE2 TYR 8 11.586 -9.203 4.636
72 HE2 TYR 8 HE1 TYR 8 10.525 -5.440 6.413
73 HH TYR 8 HH TYR 8 12.997 -7.277 4.867
74 H ARG 9 HN ARG 9 5.902 -9.138 8.820
75 HA ARG 9 HA ARG 9 3.948 -11.311 8.537
76 HB2 ARG 9 HB2 ARG 9 5.060 -9.893 10.973
77 HB3 ARG 9 HB1 ARG 9 3.892 -11.214 11.025
78 HG2 ARG 9 HG2 ARG 9 5.496 -12.682 9.854
79 HG3 ARG 9 HG1 ARG 9 6.667 -11.365 9.812
80 HD2 ARG 9 HD2 ARG 9 5.482 -12.509 12.354
81 HD3 ARG 9 HD1 ARG 9 7.051 -12.968 11.699
82 HE ARG 9 HE ARG 9 6.387 -10.471 13.034
83 HH11 ARG 9 HH21 ARG 9 8.538 -12.203 10.946
84 HH12 ARG 9 HH22 ARG 9 9.888 -11.161 11.246
85 HH21 ARG 9 HH11 ARG 9 8.155 -9.100 13.432
86 HH22 ARG 9 HH12 ARG 9 9.672 -9.405 12.651
87 H GLY 10 HN GLY 10 3.263 -8.892 7.287
88 HA2 GLY 10 HA2 GLY 10 1.204 -7.796 7.051
89 HA3 GLY 10 HA1 GLY 10 0.775 -8.280 8.690
90 H ILE 11 HN ILE 11 3.871 -7.145 8.776
91 HA ILE 11 HA ILE 11 3.003 -4.472 9.709
92 HB ILE 11 HB ILE 11 5.533 -6.039 10.283
93 HG12 ILE 11 HG12 ILE 11 3.240 -5.344 12.138
94 HG13 ILE 11 HG11 ILE 11 3.358 -6.888 11.292
95 HG21 ILE 11 HG21 ILE 11 5.728 -4.216 12.083
96 HG22 ILE 11 HG22 ILE 11 4.518 -3.328 11.156
97 HG23 ILE 11 HG23 ILE 11 6.073 -3.725 10.425
98 HD11 ILE 11 HD11 ILE 11 5.593 -5.818 13.025
99 HD12 ILE 11 HD12 ILE 11 5.389 -7.457 12.413
100 HD13 ILE 11 HD13 ILE 11 4.308 -6.844 13.664
101 H CYS 12 HN CYS 12 3.290 -2.912 8.261
102 HA CYS 12 HA CYS 12 5.455 -3.135 6.262
103 HB2 CYS 12 HB2 CYS 12 3.127 -1.201 6.350
104 HB3 CYS 12 HB1 CYS 12 4.225 -1.483 4.998
105 H TYR 13 HN TYR 13 7.178 -1.810 6.315
106 HA TYR 13 HA TYR 13 7.066 0.705 7.827
107 HB2 TYR 13 HB2 TYR 13 7.820 -1.088 9.411
108 HB3 TYR 13 HB1 TYR 13 9.201 -1.375 8.354
109 HD1 TYR 13 HD1 TYR 13 7.481 1.246 10.374
110 HD2 TYR 13 HD2 TYR 13 11.120 0.024 8.445
111 HE1 TYR 13 HE1 TYR 13 8.679 3.137 11.438
112 HE2 TYR 13 HE2 TYR 13 12.318 1.917 9.511
113 HH TYR 13 HH TYR 13 10.672 4.068 11.816
114 H ARG 14 HN ARG 14 8.728 2.172 7.280
115 HA ARG 14 HA ARG 14 9.756 1.802 4.576
116 HB2 ARG 14 HB2 ARG 14 9.805 4.151 6.485
117 HB3 ARG 14 HB1 ARG 14 10.480 4.183 4.856
118 HG2 ARG 14 HG2 ARG 14 8.283 3.643 3.907
119 HG3 ARG 14 HG1 ARG 14 7.593 3.541 5.529
120 HD2 ARG 14 HD2 ARG 14 8.174 5.912 5.918
121 HD3 ARG 14 HD1 ARG 14 8.839 6.012 4.291
122 HE ARG 14 HE ARG 14 6.225 5.098 4.017
123 HH11 ARG 14 HH21 ARG 14 7.904 7.852 5.268
124 HH12 ARG 14 HH22 ARG 14 6.620 8.963 4.925
125 HH21 ARG 14 HH11 ARG 14 4.536 6.550 3.565
126 HH22 ARG 14 HH12 ARG 14 4.712 8.226 3.962
127 H ARG 15 HN ARG 15 11.879 1.602 4.018
128 HA ARG 15 HA ARG 15 13.900 1.563 6.196
129 HB2 ARG 15 HB2 ARG 15 13.530 -0.425 3.944
130 HB3 ARG 15 HB1 ARG 15 14.970 -0.340 4.957
131 HG2 ARG 15 HG2 ARG 15 13.597 -0.725 6.964
132 HG3 ARG 15 HG1 ARG 15 12.145 -0.788 5.965
133 HD2 ARG 15 HD2 ARG 15 13.062 -2.727 4.749
134 HD3 ARG 15 HD1 ARG 15 14.513 -2.666 5.745
135 HE ARG 15 HE ARG 15 12.102 -2.877 7.308
136 HH11 ARG 15 HH21 ARG 15 14.455 -4.580 5.427
137 HH12 ARG 15 HH22 ARG 15 14.220 -6.088 6.246
138 HH21 ARG 15 HH11 ARG 15 11.791 -4.851 8.388
139 HH22 ARG 15 HH12 ARG 15 12.712 -6.240 7.924
140 H CYS 16 HN CYS 16 15.838 2.477 5.721
141 HA CYS 16 HA CYS 16 16.290 3.452 2.954
142 HB2 CYS 16 HB2 CYS 16 16.752 4.980 5.528
143 HB3 CYS 16 HB1 CYS 16 17.204 5.533 3.914
144 H ARG 17 HN ARG 17 18.425 3.531 2.275
145 HA ARG 17 HA ARG 17 20.616 2.945 4.043
146 HB2 ARG 17 HB2 ARG 17 19.641 0.684 3.770
147 HB3 ARG 17 HB1 ARG 17 19.829 0.835 2.022
148 HG2 ARG 17 HG2 ARG 17 22.250 1.052 2.262
149 HG3 ARG 17 HG1 ARG 17 22.105 1.025 4.018
150 HD2 ARG 17 HD2 ARG 17 21.199 -1.230 2.211
151 HD3 ARG 17 HD1 ARG 17 22.761 -1.187 3.024
152 HE ARG 17 HE ARG 17 20.748 -0.784 4.952
153 HH11 ARG 17 HH21 ARG 17 21.953 -3.195 2.780
154 HH12 ARG 17 HH22 ARG 17 21.457 -4.530 3.767
155 HH21 ARG 17 HH11 ARG 17 20.095 -2.529 6.250
156 HH22 ARG 17 HH12 ARG 17 20.405 -4.151 5.732
157 HN1 NH2 18 HN1 NH2 18 20.130 2.166 0.566
158 HN2 NH2 18 HN2 NH2 18 21.278 3.286 0.017
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 20.466 4.992 -4.579
2 H2 LYS 1 HT2 LYS 1 19.655 6.297 -5.300
3 H3 LYS 1 HT3 LYS 1 18.780 4.953 -4.744
4 HA LYS 1 HA LYS 1 19.882 5.574 -2.472
5 HB2 LYS 1 HB2 LYS 1 21.218 7.404 -3.511
6 HB3 LYS 1 HB1 LYS 1 19.716 8.219 -3.948
7 HG2 LYS 1 HG2 LYS 1 19.082 8.360 -1.576
8 HG3 LYS 1 HG1 LYS 1 20.559 7.511 -1.121
9 HD2 LYS 1 HD2 LYS 1 21.913 9.325 -2.088
10 HD3 LYS 1 HD1 LYS 1 20.442 10.177 -2.561
11 HE2 LYS 1 HE2 LYS 1 21.289 11.101 -0.457
12 HE3 LYS 1 HE1 LYS 1 19.758 10.272 -0.172
13 HZ1 LYS 1 HZ1 LYS 1 20.833 8.458 0.779
14 HZ2 LYS 1 HZ2 LYS 1 21.668 9.794 1.413
15 HZ3 LYS 1 HZ3 LYS 1 22.347 8.887 0.149
16 H TRP 2 HN TRP 2 17.825 4.584 -2.167
17 HA TRP 2 HA TRP 2 15.674 6.516 -1.766
18 HB2 TRP 2 HB2 TRP 2 15.359 5.688 -4.096
19 HB3 TRP 2 HB1 TRP 2 15.238 4.047 -3.462
20 HD1 TRP 2 HD1 TRP 2 13.620 7.435 -2.486
21 HE1 TRP 2 HE1 TRP 2 11.099 7.034 -2.123
22 HE3 TRP 2 HE3 TRP 2 13.363 2.438 -3.510
23 HZ2 TRP 2 HZ2 TRP 2 9.221 4.881 -2.250
24 HZ3 TRP 2 HZ3 TRP 2 11.198 1.239 -3.382
25 HH2 TRP 2 HH2 TRP 2 9.128 2.451 -2.755
26 H CYS 3 HN CYS 3 13.915 5.630 -0.479
27 HA CYS 3 HA CYS 3 14.919 3.759 1.505
28 HB2 CYS 3 HB2 CYS 3 12.323 5.309 1.331
29 HB3 CYS 3 HB1 CYS 3 12.804 4.305 2.698
30 H PHE 4 HN PHE 4 13.445 2.014 2.315
31 HA PHE 4 HA PHE 4 11.943 0.725 0.098
32 HB2 PHE 4 HB2 PHE 4 13.814 -0.591 2.083
33 HB3 PHE 4 HB1 PHE 4 12.805 -1.445 0.915
34 HD1 PHE 4 HD2 PHE 4 13.239 -1.255 -1.509
35 HD2 PHE 4 HD1 PHE 4 15.787 0.627 1.391
36 HE1 PHE 4 HE2 PHE 4 14.978 -0.929 -3.249
37 HE2 PHE 4 HE1 PHE 4 17.526 0.954 -0.346
38 HZ PHE 4 HZ PHE 4 17.121 0.176 -2.666
39 H ARG 5 HN ARG 5 10.221 -0.624 0.720
40 HA ARG 5 HA ARG 5 9.434 -0.786 3.509
41 HB2 ARG 5 HB2 ARG 5 7.135 0.261 2.847
42 HB3 ARG 5 HB1 ARG 5 8.482 1.335 3.218
43 HG2 ARG 5 HG2 ARG 5 8.981 1.581 0.828
44 HG3 ARG 5 HG1 ARG 5 7.680 0.460 0.424
45 HD2 ARG 5 HD2 ARG 5 7.278 3.052 1.934
46 HD3 ARG 5 HD1 ARG 5 7.034 2.872 0.200
47 HE ARG 5 HE ARG 5 5.514 0.887 1.450
48 HH11 ARG 5 HH21 ARG 5 5.747 4.335 1.321
49 HH12 ARG 5 HH22 ARG 5 4.056 4.599 1.590
50 HH21 ARG 5 HH11 ARG 5 3.293 1.223 1.802
51 HH22 ARG 5 HH12 ARG 5 2.667 2.836 1.864
52 H VAL 6 HN VAL 6 9.249 -2.975 3.390
53 HA VAL 6 HA VAL 6 7.295 -4.081 1.440
54 HB VAL 6 HB VAL 6 9.849 -5.295 2.517
55 HG11 VAL 6 HG11 VAL 6 9.115 -7.241 0.993
56 HG12 VAL 6 HG12 VAL 6 7.501 -6.531 1.065
57 HG13 VAL 6 HG13 VAL 6 8.288 -7.089 2.542
58 HG21 VAL 6 HG21 VAL 6 10.146 -3.799 0.605
59 HG22 VAL 6 HG22 VAL 6 8.858 -4.627 -0.273
60 HG23 VAL 6 HG23 VAL 6 10.366 -5.469 0.085
61 H CYS 7 HN CYS 7 5.635 -5.162 2.269
62 HA CYS 7 HA CYS 7 5.418 -5.419 5.175
63 HB2 CYS 7 HB2 CYS 7 3.361 -6.130 3.083
64 HB3 CYS 7 HB1 CYS 7 3.091 -5.797 4.793
65 H TYR 8 HN TYR 8 5.097 -7.358 6.250
66 HA TYR 8 HA TYR 8 5.508 -9.846 4.679
67 HB2 TYR 8 HB2 TYR 8 6.800 -9.054 7.298
68 HB3 TYR 8 HB1 TYR 8 6.865 -10.675 6.607
69 HD1 TYR 8 HD2 TYR 8 8.036 -11.088 4.463
70 HD2 TYR 8 HD1 TYR 8 8.090 -7.235 6.362
71 HE1 TYR 8 HE2 TYR 8 9.937 -10.405 3.023
72 HE2 TYR 8 HE1 TYR 8 9.990 -6.551 4.923
73 HH TYR 8 HH TYR 8 10.895 -8.216 2.164
74 H ARG 9 HN ARG 9 5.201 -9.440 8.157
75 HA ARG 9 HA ARG 9 2.981 -11.307 8.215
76 HB2 ARG 9 HB2 ARG 9 4.220 -9.780 10.518
77 HB3 ARG 9 HB1 ARG 9 3.235 -11.237 10.615
78 HG2 ARG 9 HG2 ARG 9 5.875 -11.159 9.131
79 HG3 ARG 9 HG1 ARG 9 5.756 -11.581 10.835
80 HD2 ARG 9 HD2 ARG 9 4.416 -13.030 8.533
81 HD3 ARG 9 HD1 ARG 9 5.756 -13.616 9.503
82 HE ARG 9 HE ARG 9 2.958 -13.536 10.292
83 HH11 ARG 9 HH21 ARG 9 6.278 -13.755 11.229
84 HH12 ARG 9 HH22 ARG 9 5.946 -14.514 12.751
85 HH21 ARG 9 HH11 ARG 9 2.508 -14.526 12.289
86 HH22 ARG 9 HH12 ARG 9 3.809 -14.949 13.352
87 H GLY 10 HN GLY 10 2.783 -8.514 7.071
88 HA2 GLY 10 HA2 GLY 10 0.692 -7.369 6.811
89 HA3 GLY 10 HA1 GLY 10 0.296 -7.759 8.482
90 H ILE 11 HN ILE 11 3.307 -6.994 8.965
91 HA ILE 11 HA ILE 11 2.761 -4.107 9.345
92 HB ILE 11 HB ILE 11 4.802 -5.894 10.695
93 HG12 ILE 11 HG12 ILE 11 2.281 -4.671 11.847
94 HG13 ILE 11 HG11 ILE 11 2.341 -6.316 11.215
95 HG21 ILE 11 HG21 ILE 11 3.964 -3.013 11.141
96 HG22 ILE 11 HG22 ILE 11 5.549 -3.579 10.613
97 HG23 ILE 11 HG23 ILE 11 4.985 -3.929 12.246
98 HD11 ILE 11 HD11 ILE 11 4.103 -6.897 12.811
99 HD12 ILE 11 HD12 ILE 11 2.708 -6.251 13.673
100 HD13 ILE 11 HD13 ILE 11 4.130 -5.240 13.415
101 H CYS 12 HN CYS 12 3.727 -2.758 7.998
102 HA CYS 12 HA CYS 12 6.099 -3.647 6.486
103 HB2 CYS 12 HB2 CYS 12 4.668 -1.067 5.931
104 HB3 CYS 12 HB1 CYS 12 5.460 -2.175 4.810
105 H TYR 13 HN TYR 13 8.047 -2.770 6.774
106 HA TYR 13 HA TYR 13 8.303 -0.507 8.686
107 HB2 TYR 13 HB2 TYR 13 10.251 -2.741 8.070
108 HB3 TYR 13 HB1 TYR 13 10.542 -1.408 9.187
109 HD1 TYR 13 HD2 TYR 13 9.083 -1.150 11.226
110 HD2 TYR 13 HD1 TYR 13 8.931 -4.625 8.705
111 HE1 TYR 13 HE2 TYR 13 7.927 -2.406 13.025
112 HE2 TYR 13 HE1 TYR 13 7.775 -5.880 10.505
113 HH TYR 13 HH TYR 13 6.316 -5.276 12.520
114 H ARG 14 HN ARG 14 9.520 1.219 8.131
115 HA ARG 14 HA ARG 14 10.301 1.451 5.313
116 HB2 ARG 14 HB2 ARG 14 10.577 3.869 5.889
117 HB3 ARG 14 HB1 ARG 14 8.949 3.259 6.183
118 HG2 ARG 14 HG2 ARG 14 9.502 2.955 8.577
119 HG3 ARG 14 HG1 ARG 14 11.116 3.596 8.280
120 HD2 ARG 14 HD2 ARG 14 8.574 5.120 7.685
121 HD3 ARG 14 HD1 ARG 14 9.485 5.288 9.182
122 HE ARG 14 HE ARG 14 11.246 5.673 7.014
123 HH11 ARG 14 HH21 ARG 14 8.508 7.112 8.564
124 HH12 ARG 14 HH22 ARG 14 8.936 8.733 8.121
125 HH21 ARG 14 HH11 ARG 14 11.814 7.792 6.430
126 HH22 ARG 14 HH12 ARG 14 10.807 9.117 6.912
127 H ARG 15 HN ARG 15 12.357 1.577 4.627
128 HA ARG 15 HA ARG 15 14.528 1.795 6.639
129 HB2 ARG 15 HB2 ARG 15 14.507 -0.076 4.259
130 HB3 ARG 15 HB1 ARG 15 15.772 0.068 5.472
131 HG2 ARG 15 HG2 ARG 15 12.922 -0.714 6.145
132 HG3 ARG 15 HG1 ARG 15 14.178 -1.894 5.784
133 HD2 ARG 15 HD2 ARG 15 14.133 0.085 8.079
134 HD3 ARG 15 HD1 ARG 15 14.079 -1.666 8.173
135 HE ARG 15 HE ARG 15 16.435 -1.014 6.836
136 HH11 ARG 15 HH21 ARG 15 14.939 -0.499 9.917
137 HH12 ARG 15 HH22 ARG 15 16.437 -0.437 10.784
138 HH21 ARG 15 HH11 ARG 15 18.395 -0.935 7.964
139 HH22 ARG 15 HH12 ARG 15 18.396 -0.685 9.677
140 H CYS 16 HN CYS 16 16.071 3.202 6.134
141 HA CYS 16 HA CYS 16 16.289 4.169 3.340
142 HB2 CYS 16 HB2 CYS 16 16.300 5.863 5.849
143 HB3 CYS 16 HB1 CYS 16 16.606 6.450 4.213
144 H ARG 17 HN ARG 17 18.345 4.895 2.718
145 HA ARG 17 HA ARG 17 20.574 4.592 4.594
146 HB2 ARG 17 HB2 ARG 17 20.203 2.330 3.601
147 HB3 ARG 17 HB1 ARG 17 20.450 3.030 2.002
148 HG2 ARG 17 HG2 ARG 17 22.714 3.791 2.718
149 HG3 ARG 17 HG1 ARG 17 22.463 2.994 4.270
150 HD2 ARG 17 HD2 ARG 17 22.373 1.604 1.581
151 HD3 ARG 17 HD1 ARG 17 23.756 1.589 2.672
152 HE ARG 17 HE ARG 17 21.268 0.113 2.996
153 HH11 ARG 17 HH21 ARG 17 24.147 1.374 4.445
154 HH12 ARG 17 HH22 ARG 17 24.141 0.249 5.763
155 HH21 ARG 17 HH11 ARG 17 21.255 -1.364 4.719
156 HH22 ARG 17 HH12 ARG 17 22.504 -1.299 5.917
157 HN1 NH2 18 HN1 NH2 18 19.389 5.570 1.388
158 HN2 NH2 18 HN2 NH2 18 20.623 6.700 1.104
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 20.516 5.815 -2.719
2 H2 LYS 1 HT2 LYS 1 19.650 5.222 -1.382
3 H3 LYS 1 HT3 LYS 1 20.947 6.295 -1.151
4 HA LYS 1 HA LYS 1 19.161 7.707 -0.920
5 HB2 LYS 1 HB2 LYS 1 19.637 7.686 -3.917
6 HB3 LYS 1 HB1 LYS 1 19.072 9.047 -2.952
7 HG2 LYS 1 HG2 LYS 1 21.770 7.700 -2.613
8 HG3 LYS 1 HG1 LYS 1 21.504 9.200 -3.499
9 HD2 LYS 1 HD2 LYS 1 20.452 10.104 -1.331
10 HD3 LYS 1 HD1 LYS 1 21.167 8.700 -0.536
11 HE2 LYS 1 HE2 LYS 1 23.392 9.354 -1.296
12 HE3 LYS 1 HE1 LYS 1 22.713 10.727 -2.169
13 HZ1 LYS 1 HZ1 LYS 1 22.121 11.783 -0.197
14 HZ2 LYS 1 HZ2 LYS 1 23.660 11.145 0.140
15 HZ3 LYS 1 HZ3 LYS 1 22.265 10.372 0.730
16 H TRP 2 HN TRP 2 18.071 5.117 -0.997
17 HA TRP 2 HA TRP 2 15.449 5.706 -2.179
18 HB2 TRP 2 HB2 TRP 2 16.752 4.367 -3.860
19 HB3 TRP 2 HB1 TRP 2 16.842 3.068 -2.671
20 HD1 TRP 2 HD1 TRP 2 14.652 1.732 -2.124
21 HE1 TRP 2 HE1 TRP 2 12.354 1.581 -3.285
22 HE3 TRP 2 HE3 TRP 2 14.973 5.760 -5.246
23 HZ2 TRP 2 HZ2 TRP 2 10.851 2.983 -5.273
24 HZ3 TRP 2 HZ3 TRP 2 13.097 6.329 -6.761
25 HH2 TRP 2 HH2 TRP 2 11.038 4.948 -6.779
26 H CYS 3 HN CYS 3 13.752 4.777 -1.084
27 HA CYS 3 HA CYS 3 14.444 3.307 1.400
28 HB2 CYS 3 HB2 CYS 3 12.144 5.187 0.823
29 HB3 CYS 3 HB1 CYS 3 12.334 4.256 2.311
30 H PHE 4 HN PHE 4 13.192 1.556 2.004
31 HA PHE 4 HA PHE 4 11.462 0.423 -0.123
32 HB2 PHE 4 HB2 PHE 4 13.216 -0.947 1.931
33 HB3 PHE 4 HB1 PHE 4 12.079 -1.787 0.874
34 HD1 PHE 4 HD2 PHE 4 12.363 -1.629 -1.627
35 HD2 PHE 4 HD1 PHE 4 15.338 -0.207 1.125
36 HE1 PHE 4 HE2 PHE 4 14.047 -1.626 -3.449
37 HE2 PHE 4 HE1 PHE 4 17.021 -0.205 -0.696
38 HZ PHE 4 HZ PHE 4 16.376 -0.914 -2.983
39 H ARG 5 HN ARG 5 9.496 -0.434 0.441
40 HA ARG 5 HA ARG 5 8.681 -0.402 3.269
41 HB2 ARG 5 HB2 ARG 5 8.076 1.809 2.335
42 HB3 ARG 5 HB1 ARG 5 7.154 1.009 1.067
43 HG2 ARG 5 HG2 ARG 5 5.717 -0.047 2.790
44 HG3 ARG 5 HG1 ARG 5 6.628 0.797 4.045
45 HD2 ARG 5 HD2 ARG 5 5.158 2.176 1.786
46 HD3 ARG 5 HD1 ARG 5 4.494 1.943 3.401
47 HE ARG 5 HE ARG 5 6.966 3.181 3.732
48 HH11 ARG 5 HH21 ARG 5 3.930 3.776 2.192
49 HH12 ARG 5 HH22 ARG 5 4.011 5.496 2.380
50 HH21 ARG 5 HH11 ARG 5 7.086 5.437 3.985
51 HH22 ARG 5 HH12 ARG 5 5.800 6.439 3.397
52 H VAL 6 HN VAL 6 8.541 -2.655 3.217
53 HA VAL 6 HA VAL 6 6.270 -3.730 1.644
54 HB VAL 6 HB VAL 6 9.019 -4.956 1.949
55 HG11 VAL 6 HG11 VAL 6 7.923 -6.823 0.555
56 HG12 VAL 6 HG12 VAL 6 6.379 -6.149 1.077
57 HG13 VAL 6 HG13 VAL 6 7.517 -6.776 2.270
58 HG21 VAL 6 HG21 VAL 6 9.055 -4.858 -0.464
59 HG22 VAL 6 HG22 VAL 6 8.589 -3.261 0.120
60 HG23 VAL 6 HG23 VAL 6 7.365 -4.359 -0.521
61 H CYS 7 HN CYS 7 4.923 -5.042 2.755
62 HA CYS 7 HA CYS 7 5.351 -5.326 5.624
63 HB2 CYS 7 HB2 CYS 7 3.050 -5.794 3.748
64 HB3 CYS 7 HB1 CYS 7 3.016 -6.487 5.370
65 H TYR 8 HN TYR 8 6.659 -6.946 6.238
66 HA TYR 8 HA TYR 8 6.825 -9.423 4.725
67 HB2 TYR 8 HB2 TYR 8 8.189 -8.479 7.255
68 HB3 TYR 8 HB1 TYR 8 8.497 -10.037 6.488
69 HD1 TYR 8 HD2 TYR 8 9.448 -10.131 4.177
70 HD2 TYR 8 HD1 TYR 8 9.078 -6.442 6.346
71 HE1 TYR 8 HE2 TYR 8 11.036 -9.049 2.608
72 HE2 TYR 8 HE1 TYR 8 10.665 -5.360 4.775
73 HH TYR 8 HH TYR 8 11.983 -7.137 1.982
74 H ARG 9 HN ARG 9 5.797 -8.401 7.968
75 HA ARG 9 HA ARG 9 4.369 -10.981 8.287
76 HB2 ARG 9 HB2 ARG 9 5.609 -9.144 10.344
77 HB3 ARG 9 HB1 ARG 9 4.541 -10.489 10.750
78 HG2 ARG 9 HG2 ARG 9 6.070 -12.058 9.633
79 HG3 ARG 9 HG1 ARG 9 7.130 -10.723 9.187
80 HD2 ARG 9 HD2 ARG 9 7.505 -10.213 11.567
81 HD3 ARG 9 HD1 ARG 9 6.426 -11.529 12.023
82 HE ARG 9 HE ARG 9 8.102 -13.063 11.455
83 HH11 ARG 9 HH21 ARG 9 8.903 -9.840 10.478
84 HH12 ARG 9 HH22 ARG 9 10.560 -10.210 10.132
85 HH21 ARG 9 HH11 ARG 9 10.272 -13.553 11.004
86 HH22 ARG 9 HH12 ARG 9 11.334 -12.311 10.430
87 H GLY 10 HN GLY 10 3.528 -8.361 7.030
88 HA2 GLY 10 HA2 GLY 10 1.222 -7.714 6.840
89 HA3 GLY 10 HA1 GLY 10 1.010 -8.049 8.554
90 H ILE 11 HN ILE 11 3.780 -6.649 8.855
91 HA ILE 11 HA ILE 11 2.684 -3.891 8.950
92 HB ILE 11 HB ILE 11 4.935 -5.128 10.558
93 HG12 ILE 11 HG12 ILE 11 2.178 -4.252 11.466
94 HG13 ILE 11 HG11 ILE 11 2.577 -5.923 11.070
95 HG21 ILE 11 HG21 ILE 11 4.673 -2.992 11.876
96 HG22 ILE 11 HG22 ILE 11 3.611 -2.401 10.598
97 HG23 ILE 11 HG23 ILE 11 5.303 -2.753 10.245
98 HD11 ILE 11 HD11 ILE 11 4.254 -6.006 12.808
99 HD12 ILE 11 HD12 ILE 11 2.771 -5.377 13.525
100 HD13 ILE 11 HD13 ILE 11 4.087 -4.277 13.117
101 H CYS 12 HN CYS 12 3.531 -2.446 7.619
102 HA CYS 12 HA CYS 12 5.920 -3.118 6.066
103 HB2 CYS 12 HB2 CYS 12 3.822 -0.966 5.867
104 HB3 CYS 12 HB1 CYS 12 5.296 -0.925 4.902
105 H TYR 13 HN TYR 13 7.869 -2.393 6.545
106 HA TYR 13 HA TYR 13 8.149 -0.105 8.419
107 HB2 TYR 13 HB2 TYR 13 10.037 -2.415 7.896
108 HB3 TYR 13 HB1 TYR 13 10.309 -1.100 9.037
109 HD1 TYR 13 HD2 TYR 13 8.824 -0.842 11.033
110 HD2 TYR 13 HD1 TYR 13 8.542 -4.226 8.404
111 HE1 TYR 13 HE2 TYR 13 7.521 -2.068 12.751
112 HE2 TYR 13 HE1 TYR 13 7.240 -5.452 10.120
113 HH TYR 13 HH TYR 13 6.197 -5.303 12.087
114 H ARG 14 HN ARG 14 9.383 1.594 7.819
115 HA ARG 14 HA ARG 14 10.243 1.723 5.028
116 HB2 ARG 14 HB2 ARG 14 10.168 3.801 7.234
117 HB3 ARG 14 HB1 ARG 14 10.659 4.121 5.570
118 HG2 ARG 14 HG2 ARG 14 8.463 3.433 4.750
119 HG3 ARG 14 HG1 ARG 14 7.963 3.002 6.388
120 HD2 ARG 14 HD2 ARG 14 7.084 5.208 5.841
121 HD3 ARG 14 HD1 ARG 14 8.323 5.366 7.084
122 HE ARG 14 HE ARG 14 9.508 5.653 4.523
123 HH11 ARG 14 HH21 ARG 14 7.377 7.230 6.749
124 HH12 ARG 14 HH22 ARG 14 7.798 8.828 6.232
125 HH21 ARG 14 HH11 ARG 14 10.066 7.748 3.843
126 HH22 ARG 14 HH12 ARG 14 9.320 9.121 4.587
127 H ARG 15 HN ARG 15 12.197 0.926 4.578
128 HA ARG 15 HA ARG 15 14.417 1.334 6.504
129 HB2 ARG 15 HB2 ARG 15 14.124 -0.702 4.276
130 HB3 ARG 15 HB1 ARG 15 15.501 -0.567 5.366
131 HG2 ARG 15 HG2 ARG 15 12.708 -0.931 6.457
132 HG3 ARG 15 HG1 ARG 15 13.649 -2.319 5.920
133 HD2 ARG 15 HD2 ARG 15 15.483 -1.628 7.467
134 HD3 ARG 15 HD1 ARG 15 14.464 -0.323 8.057
135 HE ARG 15 HE ARG 15 13.208 -2.915 8.233
136 HH11 ARG 15 HH21 ARG 15 15.342 -0.620 9.701
137 HH12 ARG 15 HH22 ARG 15 15.077 -1.197 11.315
138 HH21 ARG 15 HH11 ARG 15 12.853 -3.676 10.353
139 HH22 ARG 15 HH12 ARG 15 13.670 -2.924 11.683
140 H CYS 16 HN CYS 16 15.356 3.212 5.945
141 HA CYS 16 HA CYS 16 15.952 3.738 3.098
142 HB2 CYS 16 HB2 CYS 16 16.025 5.570 5.503
143 HB3 CYS 16 HB1 CYS 16 16.398 6.046 3.846
144 H ARG 17 HN ARG 17 18.011 3.985 2.373
145 HA ARG 17 HA ARG 17 20.287 4.279 4.061
146 HB2 ARG 17 HB2 ARG 17 19.727 1.912 4.572
147 HB3 ARG 17 HB1 ARG 17 19.876 1.531 2.858
148 HG2 ARG 17 HG2 ARG 17 22.224 2.264 2.882
149 HG3 ARG 17 HG1 ARG 17 22.083 2.688 4.587
150 HD2 ARG 17 HD2 ARG 17 23.115 0.493 4.407
151 HD3 ARG 17 HD1 ARG 17 21.503 0.319 5.090
152 HE ARG 17 HE ARG 17 20.810 -0.749 3.119
153 HH11 ARG 17 HH21 ARG 17 24.004 0.568 2.838
154 HH12 ARG 17 HH22 ARG 17 24.362 -0.264 1.363
155 HH21 ARG 17 HH11 ARG 17 21.278 -1.838 1.187
156 HH22 ARG 17 HH12 ARG 17 22.821 -1.625 0.429
157 HN1 NH2 18 HN1 NH2 18 21.465 5.582 2.667
158 HN2 NH2 18 HN2 NH2 18 21.694 5.280 1.012