Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
571653 | 2mcv RC | 19455 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 -12.121 -10.290 -3.937
2 H2 PHE 1 HT2 PHE 1 -12.208 -8.756 -3.212
3 H3 PHE 1 HT3 PHE 1 -11.989 -10.141 -2.252
4 HA PHE 1 HA PHE 1 -9.810 -9.993 -2.431
5 HB2 PHE 1 HB2 PHE 1 -10.397 -9.923 -5.405
6 HB3 PHE 1 HB1 PHE 1 -8.770 -10.032 -4.733
7 HD1 PHE 1 HD1 PHE 1 -8.074 -12.015 -3.425
8 HD2 PHE 1 HD2 PHE 1 -11.923 -11.797 -5.320
9 HE1 PHE 1 HE1 PHE 1 -8.351 -14.463 -3.144
10 HE2 PHE 1 HE2 PHE 1 -12.200 -14.246 -5.038
11 HZ PHE 1 HZ PHE 1 -10.413 -15.579 -3.951
12 H PHE 2 HN PHE 2 -11.606 -7.636 -4.371
13 HA PHE 2 HA PHE 2 -9.791 -5.667 -4.787
14 HB2 PHE 2 HB2 PHE 2 -12.212 -5.613 -5.420
15 HB3 PHE 2 HB1 PHE 2 -12.590 -5.192 -3.748
16 HD1 PHE 2 HD1 PHE 2 -10.757 -4.076 -6.785
17 HD2 PHE 2 HD2 PHE 2 -12.270 -2.975 -2.919
18 HE1 PHE 2 HE1 PHE 2 -10.268 -1.694 -7.272
19 HE2 PHE 2 HE2 PHE 2 -11.781 -0.593 -3.405
20 HZ PHE 2 HZ PHE 2 -10.778 0.047 -5.582
21 H HIS 3 HN HIS 3 -11.403 -6.391 -1.687
22 HA HIS 3 HA HIS 3 -10.611 -4.112 -0.264
23 HB2 HIS 3 HB2 HIS 3 -11.023 -6.967 0.641
24 HB3 HIS 3 HB1 HIS 3 -10.848 -5.595 1.737
25 HD2 HIS 3 HD2 HIS 3 -13.570 -7.231 -0.493
26 HE1 HIS 3 HE1 HIS 3 -15.199 -3.646 1.027
27 HE2 HIS 3 HE2 HIS 3 -15.730 -5.790 -0.225
28 H HIS 4 HN HIS 4 -9.002 -7.307 -0.412
29 HA HIS 4 HA HIS 4 -6.696 -6.453 1.028
30 HB2 HIS 4 HB2 HIS 4 -7.415 -8.821 0.863
31 HB3 HIS 4 HB1 HIS 4 -6.990 -8.809 -0.849
32 HD2 HIS 4 HD2 HIS 4 -5.142 -8.595 2.644
33 HE1 HIS 4 HE1 HIS 4 -2.276 -9.380 -0.356
34 HE2 HIS 4 HE2 HIS 4 -2.642 -9.162 2.148
35 H ILE 5 HN ILE 5 -7.375 -6.890 -2.418
36 HA ILE 5 HA ILE 5 -4.779 -6.284 -3.367
37 HB ILE 5 HB ILE 5 -7.484 -6.020 -4.695
38 HG12 ILE 5 HG12 ILE 5 -5.285 -8.071 -5.089
39 HG13 ILE 5 HG11 ILE 5 -6.644 -8.309 -3.990
40 HG21 ILE 5 HG21 ILE 5 -6.031 -4.553 -5.906
41 HG22 ILE 5 HG22 ILE 5 -6.047 -6.060 -6.820
42 HG23 ILE 5 HG23 ILE 5 -4.677 -5.675 -5.778
43 HD11 ILE 5 HD11 ILE 5 -7.099 -9.335 -6.190
44 HD12 ILE 5 HD12 ILE 5 -6.862 -7.771 -6.967
45 HD13 ILE 5 HD13 ILE 5 -8.218 -8.011 -5.866
46 H PHE 6 HN PHE 6 -7.626 -4.227 -2.810
47 HA PHE 6 HA PHE 6 -6.496 -1.841 -3.863
48 HB2 PHE 6 HB2 PHE 6 -8.912 -2.124 -3.551
49 HB3 PHE 6 HB1 PHE 6 -8.684 -2.213 -1.806
50 HD1 PHE 6 HD1 PHE 6 -8.025 -0.003 -4.754
51 HD2 PHE 6 HD2 PHE 6 -8.656 -0.242 -0.512
52 HE1 PHE 6 HE1 PHE 6 -8.083 2.473 -4.623
53 HE2 PHE 6 HE2 PHE 6 -8.715 2.234 -0.382
54 HZ PHE 6 HZ PHE 6 -8.428 3.591 -2.437
55 H ARG 7 HN ARG 7 -6.776 -3.122 -0.561
56 HA ARG 7 HA ARG 7 -5.469 -0.949 0.708
57 HB2 ARG 7 HB2 ARG 7 -5.923 -3.814 1.551
58 HB3 ARG 7 HB1 ARG 7 -5.167 -2.609 2.593
59 HG2 ARG 7 HG2 ARG 7 -7.149 -1.196 2.473
60 HG3 ARG 7 HG1 ARG 7 -7.902 -2.301 1.323
61 HD2 ARG 7 HD2 ARG 7 -8.776 -2.702 3.581
62 HD3 ARG 7 HD1 ARG 7 -7.853 -4.094 3.023
63 HE ARG 7 HE ARG 7 -6.214 -3.615 4.634
64 HH11 ARG 7 HH21 ARG 7 -8.592 -1.111 4.401
65 HH12 ARG 7 HH22 ARG 7 -8.087 -0.309 5.850
66 HH21 ARG 7 HH11 ARG 7 -5.547 -2.568 6.534
67 HH22 ARG 7 HH12 ARG 7 -6.363 -1.133 7.057
68 H GLY 8 HN GLY 8 -4.311 -3.977 -0.691
69 HA2 GLY 8 HA2 GLY 8 -1.725 -4.071 0.332
70 HA3 GLY 8 HA1 GLY 8 -2.201 -4.680 -1.250
71 H ILE 9 HN ILE 9 -3.075 -2.103 -2.246
72 HA ILE 9 HA ILE 9 -0.639 -1.185 -3.367
73 HB ILE 9 HB ILE 9 -3.391 0.078 -3.270
74 HG12 ILE 9 HG12 ILE 9 -1.920 -1.262 -5.557
75 HG13 ILE 9 HG11 ILE 9 -3.035 -2.124 -4.496
76 HG21 ILE 9 HG21 ILE 9 -0.848 0.902 -4.687
77 HG22 ILE 9 HG22 ILE 9 -1.878 1.885 -3.649
78 HG23 ILE 9 HG23 ILE 9 -2.442 1.407 -5.250
79 HD11 ILE 9 HD11 ILE 9 -3.680 0.246 -6.270
80 HD12 ILE 9 HD12 ILE 9 -4.796 -0.424 -5.080
81 HD13 ILE 9 HD13 ILE 9 -4.273 -1.406 -6.448
82 H VAL 10 HN VAL 10 -2.714 0.090 -0.799
83 HA VAL 10 HA VAL 10 -1.305 2.469 -0.300
84 HB VAL 10 HB VAL 10 -2.904 0.733 1.597
85 HG11 VAL 10 HG11 VAL 10 -3.098 2.932 2.872
86 HG12 VAL 10 HG12 VAL 10 -1.774 3.528 1.871
87 HG13 VAL 10 HG13 VAL 10 -1.518 2.152 2.945
88 HG21 VAL 10 HG21 VAL 10 -3.623 3.261 0.079
89 HG22 VAL 10 HG22 VAL 10 -4.697 2.335 1.128
90 HG23 VAL 10 HG23 VAL 10 -4.123 1.634 -0.385
91 H HIS 11 HN HIS 11 -0.937 -0.774 1.126
92 HA HIS 11 HA HIS 11 1.117 -0.102 2.953
93 HB2 HIS 11 HB2 HIS 11 0.364 -2.707 1.618
94 HB3 HIS 11 HB1 HIS 11 1.632 -2.584 2.838
95 HD2 HIS 11 HD2 HIS 11 0.700 -2.121 5.482
96 HE1 HIS 11 HE1 HIS 11 -3.413 -2.334 4.550
97 HE2 HIS 11 HE2 HIS 11 -1.725 -2.232 6.445
98 H VAL 12 HN VAL 12 1.226 -1.420 -0.331
99 HA VAL 12 HA VAL 12 4.028 -1.632 -0.551
100 HB VAL 12 HB VAL 12 1.926 -1.162 -2.680
101 HG11 VAL 12 HG11 VAL 12 4.890 -1.728 -2.876
102 HG12 VAL 12 HG12 VAL 12 3.980 -0.431 -3.650
103 HG13 VAL 12 HG13 VAL 12 3.776 -2.097 -4.192
104 HG21 VAL 12 HG21 VAL 12 1.996 -3.520 -2.998
105 HG22 VAL 12 HG22 VAL 12 1.959 -3.308 -1.248
106 HG23 VAL 12 HG23 VAL 12 3.479 -3.684 -2.057
107 H GLY 13 HN GLY 13 1.828 1.024 -1.432
108 HA2 GLY 13 HA2 GLY 13 3.860 2.770 -2.391
109 HA3 GLY 13 HA1 GLY 13 2.230 3.242 -1.923
110 H LYS 14 HN LYS 14 2.405 2.210 0.752
111 HA LYS 14 HA LYS 14 3.385 4.473 2.108
112 HB2 LYS 14 HB2 LYS 14 1.675 2.916 3.029
113 HB3 LYS 14 HB1 LYS 14 2.940 1.707 3.255
114 HG2 LYS 14 HG2 LYS 14 4.151 3.227 4.759
115 HG3 LYS 14 HG1 LYS 14 2.928 4.472 4.504
116 HD2 LYS 14 HD2 LYS 14 1.210 2.990 5.468
117 HD3 LYS 14 HD1 LYS 14 2.428 1.739 5.720
118 HE2 LYS 14 HE2 LYS 14 2.109 2.946 7.808
119 HE3 LYS 14 HE1 LYS 14 3.701 3.342 7.161
120 HZ1 LYS 14 HZ1 LYS 14 2.486 5.309 7.916
121 HZ2 LYS 14 HZ2 LYS 14 1.255 4.984 6.790
122 HZ3 LYS 14 HZ3 LYS 14 2.819 5.375 6.254
123 H THR 15 HN THR 15 4.795 1.237 1.677
124 HA THR 15 HA THR 15 7.150 1.754 3.188
125 HB THR 15 HB THR 15 6.645 -0.276 0.999
126 HG1 THR 15 HG1 THR 15 5.317 -0.774 2.623
127 HG21 THR 15 HG21 THR 15 8.541 -1.471 2.204
128 HG22 THR 15 HG22 THR 15 8.862 0.054 3.029
129 HG23 THR 15 HG23 THR 15 9.011 -0.048 1.275
130 H ILE 16 HN ILE 16 6.393 1.899 -0.258
131 HA ILE 16 HA ILE 16 9.000 2.553 -1.158
132 HB ILE 16 HB ILE 16 6.282 3.127 -2.365
133 HG12 ILE 16 HG12 ILE 16 8.392 1.096 -3.151
134 HG13 ILE 16 HG11 ILE 16 7.065 0.724 -2.050
135 HG21 ILE 16 HG21 ILE 16 7.706 3.362 -4.496
136 HG22 ILE 16 HG22 ILE 16 9.085 3.565 -3.415
137 HG23 ILE 16 HG23 ILE 16 7.748 4.715 -3.366
138 HD11 ILE 16 HD11 ILE 16 6.833 1.643 -4.929
139 HD12 ILE 16 HD12 ILE 16 5.461 1.488 -3.831
140 HD13 ILE 16 HD13 ILE 16 6.394 0.061 -4.284
141 H HIS 17 HN HIS 17 6.213 4.584 -0.288
142 HA HIS 17 HA HIS 17 7.366 7.076 -0.888
143 HB2 HIS 17 HB2 HIS 17 5.247 6.266 1.108
144 HB3 HIS 17 HB1 HIS 17 5.706 7.947 0.835
145 HD2 HIS 17 HD2 HIS 17 2.943 5.892 -0.374
146 HE1 HIS 17 HE1 HIS 17 4.133 7.951 -3.863
147 HE2 HIS 17 HE2 HIS 17 2.284 6.564 -2.809
148 H ARG 18 HN ARG 18 7.442 5.123 2.063
149 HA ARG 18 HA ARG 18 8.758 7.012 3.705
150 HB2 ARG 18 HB2 ARG 18 7.617 4.986 4.572
151 HB3 ARG 18 HB1 ARG 18 8.884 3.989 3.857
152 HG2 ARG 18 HG2 ARG 18 10.577 5.135 5.242
153 HG3 ARG 18 HG1 ARG 18 9.316 6.146 5.949
154 HD2 ARG 18 HD2 ARG 18 8.185 4.071 6.770
155 HD3 ARG 18 HD1 ARG 18 9.546 3.134 6.166
156 HE ARG 18 HE ARG 18 10.868 3.968 7.921
157 HH11 ARG 18 HH21 ARG 18 7.774 5.511 7.753
158 HH12 ARG 18 HH22 ARG 18 7.913 6.265 9.304
159 HH21 ARG 18 HH11 ARG 18 11.057 4.957 9.956
160 HH22 ARG 18 HH12 ARG 18 9.771 5.953 10.552
161 H LEU 19 HN LEU 19 9.978 4.434 1.592
162 HA LEU 19 HA LEU 19 12.702 4.703 2.256
163 HB2 LEU 19 HB2 LEU 19 11.853 2.769 1.012
164 HB3 LEU 19 HB1 LEU 19 11.437 3.805 -0.350
165 HG LEU 19 HG LEU 19 13.815 4.385 -0.654
166 HD11 LEU 19 HD11 LEU 19 15.427 2.804 0.730
167 HD12 LEU 19 HD12 LEU 19 14.091 2.784 1.880
168 HD13 LEU 19 HD13 LEU 19 14.848 4.312 1.438
169 HD21 LEU 19 HD21 LEU 19 12.765 2.283 -1.670
170 HD22 LEU 19 HD22 LEU 19 13.581 1.378 -0.394
171 HD23 LEU 19 HD23 LEU 19 14.526 2.298 -1.565
172 H VAL 20 HN VAL 20 10.736 6.261 -0.263
173 HA VAL 20 HA VAL 20 12.820 7.687 -1.508
174 HB VAL 20 HB VAL 20 9.871 8.331 -1.265
175 HG11 VAL 20 HG11 VAL 20 10.961 10.375 -1.846
176 HG12 VAL 20 HG12 VAL 20 10.386 9.697 -3.369
177 HG13 VAL 20 HG13 VAL 20 12.086 9.550 -2.924
178 HG21 VAL 20 HG21 VAL 20 10.685 6.162 -2.414
179 HG22 VAL 20 HG22 VAL 20 11.372 7.221 -3.646
180 HG23 VAL 20 HG23 VAL 20 9.632 7.221 -3.352
181 H THR 21 HN THR 21 10.631 8.578 1.148
182 HA THR 21 HA THR 21 11.655 11.213 1.467
183 HB THR 21 HB THR 21 10.427 9.664 3.741
184 HG1 THR 21 HG1 THR 21 9.420 9.875 1.278
185 HG21 THR 21 HG21 THR 21 10.099 12.492 2.695
186 HG22 THR 21 HG22 THR 21 11.076 12.018 4.083
187 HG23 THR 21 HG23 THR 21 9.322 11.838 4.137
188 H GLY 22 HN GLY 22 13.401 8.577 1.639
189 HA2 GLY 22 HA2 GLY 22 15.538 8.262 2.502
190 HA3 GLY 22 HA1 GLY 22 15.326 9.715 3.474
191 HN1 NH2 23 HT1 GLY 22 13.032 7.041 5.396
192 HN2 NH2 23 HT2 GLY 22 12.568 7.919 3.977
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 -12.701 -10.174 -2.743
2 H2 PHE 1 HT2 PHE 1 -12.817 -8.525 -3.136
3 H3 PHE 1 HT3 PHE 1 -12.250 -8.997 -1.607
4 HA PHE 1 HA PHE 1 -10.244 -9.817 -2.461
5 HB2 PHE 1 HB2 PHE 1 -11.512 -9.383 -5.189
6 HB3 PHE 1 HB1 PHE 1 -9.854 -9.916 -4.913
7 HD1 PHE 1 HD2 PHE 1 -9.425 -12.088 -3.709
8 HD2 PHE 1 HD1 PHE 1 -13.341 -10.905 -5.017
9 HE1 PHE 1 HE2 PHE 1 -10.212 -14.428 -3.472
10 HE2 PHE 1 HE1 PHE 1 -14.128 -13.246 -4.779
11 HZ PHE 1 HZ PHE 1 -12.563 -15.007 -4.007
12 H PHE 2 HN PHE 2 -11.952 -7.239 -4.290
13 HA PHE 2 HA PHE 2 -9.898 -5.508 -4.712
14 HB2 PHE 2 HB2 PHE 2 -12.750 -4.892 -3.949
15 HB3 PHE 2 HB1 PHE 2 -11.623 -3.691 -4.575
16 HD1 PHE 2 HD1 PHE 2 -10.635 -3.987 -6.869
17 HD2 PHE 2 HD2 PHE 2 -13.805 -6.482 -5.390
18 HE1 PHE 2 HE1 PHE 2 -11.143 -4.715 -9.185
19 HE2 PHE 2 HE2 PHE 2 -14.312 -7.211 -7.706
20 HZ PHE 2 HZ PHE 2 -12.980 -6.328 -9.604
21 H HIS 3 HN HIS 3 -11.627 -5.967 -1.635
22 HA HIS 3 HA HIS 3 -10.710 -3.690 -0.292
23 HB2 HIS 3 HB2 HIS 3 -11.283 -6.471 0.748
24 HB3 HIS 3 HB1 HIS 3 -11.098 -5.041 1.763
25 HD2 HIS 3 HD2 HIS 3 -13.818 -6.769 -0.362
26 HE1 HIS 3 HE1 HIS 3 -15.335 -2.974 0.697
27 HE2 HIS 3 HE2 HIS 3 -15.924 -5.224 -0.320
28 H HIS 4 HN HIS 4 -9.306 -6.985 -0.274
29 HA HIS 4 HA HIS 4 -6.966 -6.183 1.161
30 HB2 HIS 4 HB2 HIS 4 -7.642 -8.666 -0.422
31 HB3 HIS 4 HB1 HIS 4 -6.122 -8.458 0.449
32 HD2 HIS 4 HD2 HIS 4 -9.552 -9.835 1.183
33 HE1 HIS 4 HE1 HIS 4 -8.067 -8.569 4.928
34 HE2 HIS 4 HE2 HIS 4 -9.878 -9.926 3.773
35 H ILE 5 HN ILE 5 -7.643 -6.820 -2.255
36 HA ILE 5 HA ILE 5 -4.996 -6.512 -3.203
37 HB ILE 5 HB ILE 5 -7.654 -6.119 -4.585
38 HG12 ILE 5 HG12 ILE 5 -5.646 -8.380 -4.795
39 HG13 ILE 5 HG11 ILE 5 -7.030 -8.415 -3.703
40 HG21 ILE 5 HG21 ILE 5 -4.824 -6.116 -5.661
41 HG22 ILE 5 HG22 ILE 5 -6.062 -4.880 -5.879
42 HG23 ILE 5 HG23 ILE 5 -6.224 -6.439 -6.682
43 HD11 ILE 5 HD11 ILE 5 -7.698 -9.546 -5.720
44 HD12 ILE 5 HD12 ILE 5 -7.080 -8.238 -6.725
45 HD13 ILE 5 HD13 ILE 5 -8.504 -7.977 -5.718
46 H PHE 6 HN PHE 6 -7.657 -4.177 -2.848
47 HA PHE 6 HA PHE 6 -6.278 -1.987 -4.043
48 HB2 PHE 6 HB2 PHE 6 -8.739 -2.084 -3.779
49 HB3 PHE 6 HB1 PHE 6 -8.542 -1.941 -2.032
50 HD1 PHE 6 HD2 PHE 6 -7.786 -0.234 -5.266
51 HD2 PHE 6 HD1 PHE 6 -8.242 0.178 -1.014
52 HE1 PHE 6 HE2 PHE 6 -7.640 2.232 -5.488
53 HE2 PHE 6 HE1 PHE 6 -8.095 2.642 -1.237
54 HZ PHE 6 HZ PHE 6 -7.795 3.671 -3.474
55 H ARG 7 HN ARG 7 -6.748 -3.037 -0.694
56 HA ARG 7 HA ARG 7 -5.359 -0.887 0.512
57 HB2 ARG 7 HB2 ARG 7 -5.941 -3.690 1.486
58 HB3 ARG 7 HB1 ARG 7 -5.217 -2.439 2.492
59 HG2 ARG 7 HG2 ARG 7 -7.808 -1.909 1.040
60 HG3 ARG 7 HG1 ARG 7 -7.813 -2.786 2.569
61 HD2 ARG 7 HD2 ARG 7 -6.534 -0.865 3.589
62 HD3 ARG 7 HD1 ARG 7 -6.750 0.012 2.078
63 HE ARG 7 HE ARG 7 -9.201 -0.971 3.308
64 HH11 ARG 7 HH21 ARG 7 -6.910 1.594 2.909
65 HH12 ARG 7 HH22 ARG 7 -8.013 2.839 3.390
66 HH21 ARG 7 HH11 ARG 7 -10.652 0.659 3.944
67 HH22 ARG 7 HH12 ARG 7 -10.130 2.310 3.977
68 H GLY 8 HN GLY 8 -4.303 -4.013 -0.724
69 HA2 GLY 8 HA2 GLY 8 -1.752 -4.178 0.378
70 HA3 GLY 8 HA1 GLY 8 -2.210 -4.823 -1.195
71 H ILE 9 HN ILE 9 -2.948 -2.241 -2.300
72 HA ILE 9 HA ILE 9 -0.443 -1.475 -3.389
73 HB ILE 9 HB ILE 9 -3.005 0.141 -3.365
74 HG12 ILE 9 HG12 ILE 9 -3.479 -2.099 -4.177
75 HG13 ILE 9 HG11 ILE 9 -3.446 -0.996 -5.547
76 HG21 ILE 9 HG21 ILE 9 -2.032 0.881 -5.611
77 HG22 ILE 9 HG22 ILE 9 -0.518 0.144 -5.086
78 HG23 ILE 9 HG23 ILE 9 -1.208 1.488 -4.174
79 HD11 ILE 9 HD11 ILE 9 -2.171 -2.784 -6.337
80 HD12 ILE 9 HD12 ILE 9 -1.454 -3.101 -4.761
81 HD13 ILE 9 HD13 ILE 9 -0.915 -1.719 -5.712
82 H VAL 10 HN VAL 10 -2.519 -0.003 -0.929
83 HA VAL 10 HA VAL 10 -0.980 2.304 -0.465
84 HB VAL 10 HB VAL 10 -2.745 0.743 1.438
85 HG11 VAL 10 HG11 VAL 10 -1.482 3.489 1.634
86 HG12 VAL 10 HG12 VAL 10 -1.307 2.145 2.762
87 HG13 VAL 10 HG13 VAL 10 -2.851 2.986 2.627
88 HG21 VAL 10 HG21 VAL 10 -4.363 2.573 0.872
89 HG22 VAL 10 HG22 VAL 10 -3.956 1.558 -0.511
90 HG23 VAL 10 HG23 VAL 10 -3.224 3.154 -0.343
91 H HIS 11 HN HIS 11 -0.882 -0.894 1.105
92 HA HIS 11 HA HIS 11 1.214 -0.249 2.921
93 HB2 HIS 11 HB2 HIS 11 0.125 -2.858 1.857
94 HB3 HIS 11 HB1 HIS 11 1.462 -2.798 3.008
95 HD2 HIS 11 HD2 HIS 11 0.670 -2.441 5.647
96 HE1 HIS 11 HE1 HIS 11 -3.360 -1.432 4.899
97 HE2 HIS 11 HE2 HIS 11 -1.657 -1.927 6.716
98 H VAL 12 HN VAL 12 1.156 -1.785 -0.262
99 HA VAL 12 HA VAL 12 3.906 -2.384 -0.437
100 HB VAL 12 HB VAL 12 1.835 -1.834 -2.572
101 HG11 VAL 12 HG11 VAL 12 3.888 -1.296 -3.648
102 HG12 VAL 12 HG12 VAL 12 3.581 -2.979 -4.078
103 HG13 VAL 12 HG13 VAL 12 4.753 -2.590 -2.818
104 HG21 VAL 12 HG21 VAL 12 1.842 -3.935 -1.000
105 HG22 VAL 12 HG22 VAL 12 3.214 -4.453 -1.977
106 HG23 VAL 12 HG23 VAL 12 1.648 -4.169 -2.734
107 H GLY 13 HN GLY 13 2.079 0.489 -1.449
108 HA2 GLY 13 HA2 GLY 13 4.359 1.886 -2.480
109 HA3 GLY 13 HA1 GLY 13 2.778 2.584 -2.146
110 H LYS 14 HN LYS 14 2.841 1.596 0.625
111 HA LYS 14 HA LYS 14 3.725 3.867 1.958
112 HB2 LYS 14 HB2 LYS 14 2.228 2.128 2.947
113 HB3 LYS 14 HB1 LYS 14 3.634 1.079 3.130
114 HG2 LYS 14 HG2 LYS 14 4.716 2.724 4.582
115 HG3 LYS 14 HG1 LYS 14 3.365 3.837 4.358
116 HD2 LYS 14 HD2 LYS 14 1.838 2.183 5.380
117 HD3 LYS 14 HD1 LYS 14 3.197 1.085 5.623
118 HE2 LYS 14 HE2 LYS 14 4.302 2.755 7.060
119 HE3 LYS 14 HE1 LYS 14 2.954 3.866 6.808
120 HZ1 LYS 14 HZ1 LYS 14 2.935 2.433 8.897
121 HZ2 LYS 14 HZ2 LYS 14 2.521 1.145 7.871
122 HZ3 LYS 14 HZ3 LYS 14 1.507 2.504 7.985
123 H THR 15 HN THR 15 5.477 0.822 1.391
124 HA THR 15 HA THR 15 7.801 1.492 2.869
125 HB THR 15 HB THR 15 7.682 -0.297 0.436
126 HG1 THR 15 HG1 THR 15 6.215 -0.493 2.546
127 HG21 THR 15 HG21 THR 15 9.525 -1.443 1.534
128 HG22 THR 15 HG22 THR 15 9.380 -0.393 2.943
129 HG23 THR 15 HG23 THR 15 9.919 0.270 1.399
130 H ILE 16 HN ILE 16 6.931 1.886 -0.528
131 HA ILE 16 HA ILE 16 9.434 2.965 -1.373
132 HB ILE 16 HB ILE 16 6.643 3.036 -2.527
133 HG12 ILE 16 HG12 ILE 16 7.644 1.621 -4.231
134 HG13 ILE 16 HG11 ILE 16 9.254 1.893 -3.566
135 HG21 ILE 16 HG21 ILE 16 7.462 5.133 -3.278
136 HG22 ILE 16 HG22 ILE 16 7.837 4.024 -4.596
137 HG23 ILE 16 HG23 ILE 16 9.104 4.517 -3.471
138 HD11 ILE 16 HD11 ILE 16 8.792 0.623 -1.624
139 HD12 ILE 16 HD12 ILE 16 8.062 -0.310 -2.930
140 HD13 ILE 16 HD13 ILE 16 7.051 0.693 -1.894
141 H HIS 17 HN HIS 17 6.376 4.479 -0.387
142 HA HIS 17 HA HIS 17 7.102 7.143 -0.704
143 HB2 HIS 17 HB2 HIS 17 4.813 6.438 -0.178
144 HB3 HIS 17 HB1 HIS 17 5.323 5.958 1.440
145 HD2 HIS 17 HD2 HIS 17 5.220 8.011 3.284
146 HE1 HIS 17 HE1 HIS 17 4.966 11.235 0.572
147 HE2 HIS 17 HE2 HIS 17 4.928 10.592 3.029
148 H ARG 18 HN ARG 18 7.515 5.073 2.169
149 HA ARG 18 HA ARG 18 8.703 7.049 3.804
150 HB2 ARG 18 HB2 ARG 18 8.862 4.033 3.826
151 HB3 ARG 18 HB1 ARG 18 9.617 5.042 5.059
152 HG2 ARG 18 HG2 ARG 18 7.444 6.041 5.608
153 HG3 ARG 18 HG1 ARG 18 6.671 5.084 4.344
154 HD2 ARG 18 HD2 ARG 18 8.186 3.886 6.677
155 HD3 ARG 18 HD1 ARG 18 6.439 4.109 6.655
156 HE ARG 18 HE ARG 18 7.100 2.705 4.337
157 HH11 ARG 18 HH21 ARG 18 7.309 2.340 7.772
158 HH12 ARG 18 HH22 ARG 18 7.172 0.614 7.735
159 HH21 ARG 18 HH11 ARG 18 6.919 0.441 4.281
160 HH22 ARG 18 HH12 ARG 18 6.951 -0.461 5.758
161 H LEU 19 HN LEU 19 10.085 4.670 1.562
162 HA LEU 19 HA LEU 19 12.799 5.148 2.161
163 HB2 LEU 19 HB2 LEU 19 12.077 3.204 0.878
164 HB3 LEU 19 HB1 LEU 19 11.506 4.245 -0.422
165 HG LEU 19 HG LEU 19 14.343 4.732 0.333
166 HD11 LEU 19 HD11 LEU 19 14.367 2.323 0.646
167 HD12 LEU 19 HD12 LEU 19 15.168 2.717 -0.876
168 HD13 LEU 19 HD13 LEU 19 13.523 2.079 -0.886
169 HD21 LEU 19 HD21 LEU 19 14.629 4.792 -2.085
170 HD22 LEU 19 HD22 LEU 19 13.181 5.707 -1.663
171 HD23 LEU 19 HD23 LEU 19 13.035 4.079 -2.327
172 H VAL 20 HN VAL 20 10.627 6.627 -0.235
173 HA VAL 20 HA VAL 20 12.543 8.291 -1.466
174 HB VAL 20 HB VAL 20 9.552 8.626 -1.138
175 HG11 VAL 20 HG11 VAL 20 11.588 10.154 -2.772
176 HG12 VAL 20 HG12 VAL 20 10.418 10.799 -1.622
177 HG13 VAL 20 HG13 VAL 20 9.868 10.148 -3.168
178 HG21 VAL 20 HG21 VAL 20 9.372 7.595 -3.263
179 HG22 VAL 20 HG22 VAL 20 10.576 6.619 -2.424
180 HG23 VAL 20 HG23 VAL 20 11.085 7.815 -3.616
181 H THR 21 HN THR 21 10.346 8.847 1.273
182 HA THR 21 HA THR 21 11.177 11.549 1.700
183 HB THR 21 HB THR 21 9.982 11.288 3.878
184 HG1 THR 21 HG1 THR 21 9.042 8.810 3.112
185 HG21 THR 21 HG21 THR 21 8.544 10.239 1.424
186 HG22 THR 21 HG22 THR 21 8.754 11.937 1.857
187 HG23 THR 21 HG23 THR 21 7.757 10.886 2.865
188 H GLY 22 HN GLY 22 12.951 8.863 1.917
189 HA2 GLY 22 HA2 GLY 22 14.850 8.232 3.059
190 HA3 GLY 22 HA1 GLY 22 15.081 9.957 3.329
191 HN1 NH2 23 HT1 GLY 22 12.534 8.953 6.263
192 HN2 NH2 23 HT2 GLY 22 12.091 9.264 4.618
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 -12.536 -9.379 -3.410
2 H2 PHE 1 HT2 PHE 1 -11.876 -8.952 -1.903
3 H3 PHE 1 HT3 PHE 1 -11.932 -10.584 -2.378
4 HA PHE 1 HA PHE 1 -9.738 -10.033 -2.763
5 HB2 PHE 1 HB2 PHE 1 -11.231 -9.433 -5.339
6 HB3 PHE 1 HB1 PHE 1 -9.535 -9.902 -5.223
7 HD1 PHE 1 HD1 PHE 1 -8.897 -12.164 -4.437
8 HD2 PHE 1 HD2 PHE 1 -13.002 -11.044 -5.022
9 HE1 PHE 1 HE1 PHE 1 -9.558 -14.552 -4.370
10 HE2 PHE 1 HE2 PHE 1 -13.664 -13.433 -4.955
11 HZ PHE 1 HZ PHE 1 -11.942 -15.186 -4.629
12 H PHE 2 HN PHE 2 -11.765 -7.451 -4.220
13 HA PHE 2 HA PHE 2 -9.890 -5.526 -4.614
14 HB2 PHE 2 HB2 PHE 2 -12.284 -5.332 -5.212
15 HB3 PHE 2 HB1 PHE 2 -12.667 -5.057 -3.512
16 HD1 PHE 2 HD2 PHE 2 -10.595 -3.736 -6.332
17 HD2 PHE 2 HD1 PHE 2 -12.519 -2.892 -2.586
18 HE1 PHE 2 HE2 PHE 2 -10.066 -1.328 -6.602
19 HE2 PHE 2 HE1 PHE 2 -11.989 -0.484 -2.855
20 HZ PHE 2 HZ PHE 2 -10.762 0.298 -4.864
21 H HIS 3 HN HIS 3 -11.462 -6.276 -1.492
22 HA HIS 3 HA HIS 3 -10.555 -4.087 -0.036
23 HB2 HIS 3 HB2 HIS 3 -10.973 -6.963 0.805
24 HB3 HIS 3 HB1 HIS 3 -10.731 -5.631 1.936
25 HD2 HIS 3 HD2 HIS 3 -13.514 -7.018 -0.450
26 HE1 HIS 3 HE1 HIS 3 -15.117 -3.703 1.616
27 HE2 HIS 3 HE2 HIS 3 -15.667 -5.629 0.056
28 H HIS 4 HN HIS 4 -9.002 -7.296 -0.338
29 HA HIS 4 HA HIS 4 -6.629 -6.500 1.035
30 HB2 HIS 4 HB2 HIS 4 -7.403 -8.852 0.881
31 HB3 HIS 4 HB1 HIS 4 -7.035 -8.839 -0.845
32 HD2 HIS 4 HD2 HIS 4 -5.167 -9.149 2.557
33 HE1 HIS 4 HE1 HIS 4 -2.245 -9.156 -0.489
34 HE2 HIS 4 HE2 HIS 4 -2.645 -9.517 1.993
35 H ILE 5 HN ILE 5 -7.427 -6.926 -2.386
36 HA ILE 5 HA ILE 5 -4.861 -6.373 -3.430
37 HB ILE 5 HB ILE 5 -7.607 -6.049 -4.660
38 HG12 ILE 5 HG12 ILE 5 -5.485 -8.165 -5.119
39 HG13 ILE 5 HG11 ILE 5 -6.810 -8.360 -3.971
40 HG21 ILE 5 HG21 ILE 5 -4.832 -5.801 -5.848
41 HG22 ILE 5 HG22 ILE 5 -6.152 -4.632 -5.930
42 HG23 ILE 5 HG23 ILE 5 -6.254 -6.141 -6.833
43 HD11 ILE 5 HD11 ILE 5 -7.074 -7.886 -6.952
44 HD12 ILE 5 HD12 ILE 5 -8.427 -7.944 -5.825
45 HD13 ILE 5 HD13 ILE 5 -7.441 -9.382 -6.093
46 H PHE 6 HN PHE 6 -7.634 -4.251 -2.783
47 HA PHE 6 HA PHE 6 -6.455 -1.895 -3.865
48 HB2 PHE 6 HB2 PHE 6 -8.894 -2.176 -3.504
49 HB3 PHE 6 HB1 PHE 6 -8.620 -2.137 -1.762
50 HD1 PHE 6 HD2 PHE 6 -8.222 -0.173 -4.904
51 HD2 PHE 6 HD1 PHE 6 -8.321 -0.077 -0.610
52 HE1 PHE 6 HE2 PHE 6 -8.243 2.306 -4.960
53 HE2 PHE 6 HE1 PHE 6 -8.344 2.403 -0.668
54 HZ PHE 6 HZ PHE 6 -8.305 3.593 -2.843
55 H ARG 7 HN ARG 7 -6.710 -3.221 -0.589
56 HA ARG 7 HA ARG 7 -5.399 -1.076 0.719
57 HB2 ARG 7 HB2 ARG 7 -5.815 -3.970 1.490
58 HB3 ARG 7 HB1 ARG 7 -5.070 -2.787 2.560
59 HG2 ARG 7 HG2 ARG 7 -7.747 -2.182 1.302
60 HG3 ARG 7 HG1 ARG 7 -7.665 -3.224 2.720
61 HD2 ARG 7 HD2 ARG 7 -6.404 -1.425 3.917
62 HD3 ARG 7 HD1 ARG 7 -6.635 -0.377 2.521
63 HE ARG 7 HE ARG 7 -9.119 -1.433 3.487
64 HH11 ARG 7 HH21 ARG 7 -6.642 0.933 3.982
65 HH12 ARG 7 HH22 ARG 7 -7.685 2.063 4.777
66 HH21 ARG 7 HH11 ARG 7 -10.496 0.046 4.532
67 HH22 ARG 7 HH12 ARG 7 -9.867 1.561 5.090
68 H GLY 8 HN GLY 8 -4.221 -4.066 -0.748
69 HA2 GLY 8 HA2 GLY 8 -1.595 -4.039 0.255
70 HA3 GLY 8 HA1 GLY 8 -2.103 -4.781 -1.259
71 H ILE 9 HN ILE 9 -3.081 -2.374 -2.472
72 HA ILE 9 HA ILE 9 -0.676 -1.422 -3.662
73 HB ILE 9 HB ILE 9 -3.507 -0.354 -3.751
74 HG12 ILE 9 HG12 ILE 9 -1.880 -1.824 -5.845
75 HG13 ILE 9 HG11 ILE 9 -2.974 -2.638 -4.726
76 HG21 ILE 9 HG21 ILE 9 -0.991 0.491 -5.208
77 HG22 ILE 9 HG22 ILE 9 -2.102 1.506 -4.287
78 HG23 ILE 9 HG23 ILE 9 -2.603 0.830 -5.836
79 HD11 ILE 9 HD11 ILE 9 -4.086 -2.154 -6.886
80 HD12 ILE 9 HD12 ILE 9 -3.770 -0.435 -6.651
81 HD13 ILE 9 HD13 ILE 9 -4.855 -1.290 -5.554
82 H VAL 10 HN VAL 10 -2.919 -0.029 -1.307
83 HA VAL 10 HA VAL 10 -1.644 2.465 -1.010
84 HB VAL 10 HB VAL 10 -3.307 0.886 0.967
85 HG11 VAL 10 HG11 VAL 10 -2.089 2.510 2.227
86 HG12 VAL 10 HG12 VAL 10 -3.676 3.224 1.936
87 HG13 VAL 10 HG13 VAL 10 -2.291 3.735 0.973
88 HG21 VAL 10 HG21 VAL 10 -4.434 1.478 -1.173
89 HG22 VAL 10 HG22 VAL 10 -4.014 3.171 -0.906
90 HG23 VAL 10 HG23 VAL 10 -5.120 2.352 0.197
91 H HIS 11 HN HIS 11 -1.246 -0.575 0.800
92 HA HIS 11 HA HIS 11 0.642 0.422 2.664
93 HB2 HIS 11 HB2 HIS 11 -0.608 -1.706 2.945
94 HB3 HIS 11 HB1 HIS 11 0.340 -2.409 1.635
95 HD2 HIS 11 HD2 HIS 11 1.062 -0.917 5.252
96 HE1 HIS 11 HE1 HIS 11 4.173 -3.573 4.205
97 HE2 HIS 11 HE2 HIS 11 3.251 -2.095 6.053
98 H VAL 12 HN VAL 12 1.114 -1.514 -0.293
99 HA VAL 12 HA VAL 12 3.853 -1.670 -0.365
100 HB VAL 12 HB VAL 12 1.875 -1.289 -2.617
101 HG11 VAL 12 HG11 VAL 12 3.843 -2.196 -4.035
102 HG12 VAL 12 HG12 VAL 12 4.874 -1.653 -2.713
103 HG13 VAL 12 HG13 VAL 12 3.881 -0.490 -3.593
104 HG21 VAL 12 HG21 VAL 12 2.107 -3.649 -2.901
105 HG22 VAL 12 HG22 VAL 12 1.945 -3.402 -1.162
106 HG23 VAL 12 HG23 VAL 12 3.531 -3.709 -1.863
107 H GLY 13 HN GLY 13 1.844 1.129 -1.004
108 HA2 GLY 13 HA2 GLY 13 3.959 2.738 -2.119
109 HA3 GLY 13 HA1 GLY 13 2.372 3.306 -1.612
110 H LYS 14 HN LYS 14 2.564 2.211 1.046
111 HA LYS 14 HA LYS 14 3.689 4.416 2.400
112 HB2 LYS 14 HB2 LYS 14 2.958 1.658 3.421
113 HB3 LYS 14 HB1 LYS 14 3.402 3.007 4.461
114 HG2 LYS 14 HG2 LYS 14 1.191 3.335 2.434
115 HG3 LYS 14 HG1 LYS 14 0.862 2.548 3.977
116 HD2 LYS 14 HD2 LYS 14 1.732 4.542 5.169
117 HD3 LYS 14 HD1 LYS 14 2.009 5.339 3.621
118 HE2 LYS 14 HE2 LYS 14 -0.397 5.159 3.094
119 HE3 LYS 14 HE1 LYS 14 -0.672 4.390 4.659
120 HZ1 LYS 14 HZ1 LYS 14 0.396 7.124 4.207
121 HZ2 LYS 14 HZ2 LYS 14 0.235 6.381 5.726
122 HZ3 LYS 14 HZ3 LYS 14 -1.145 6.733 4.799
123 H THR 15 HN THR 15 4.948 1.133 1.872
124 HA THR 15 HA THR 15 7.359 1.566 3.343
125 HB THR 15 HB THR 15 8.122 -0.495 2.058
126 HG1 THR 15 HG1 THR 15 6.957 -0.535 0.258
127 HG21 THR 15 HG21 THR 15 5.452 -0.648 3.485
128 HG22 THR 15 HG22 THR 15 7.023 -0.579 4.282
129 HG23 THR 15 HG23 THR 15 6.600 -1.970 3.284
130 H ILE 16 HN ILE 16 6.504 1.719 -0.085
131 HA ILE 16 HA ILE 16 9.117 2.271 -1.053
132 HB ILE 16 HB ILE 16 6.391 2.870 -2.227
133 HG12 ILE 16 HG12 ILE 16 8.447 0.781 -2.998
134 HG13 ILE 16 HG11 ILE 16 7.135 0.461 -1.863
135 HG21 ILE 16 HG21 ILE 16 9.182 3.187 -3.359
136 HG22 ILE 16 HG22 ILE 16 7.907 4.403 -3.276
137 HG23 ILE 16 HG23 ILE 16 7.755 3.042 -4.384
138 HD11 ILE 16 HD11 ILE 16 6.856 1.329 -4.752
139 HD12 ILE 16 HD12 ILE 16 5.508 1.197 -3.624
140 HD13 ILE 16 HD13 ILE 16 6.423 -0.241 -4.078
141 H HIS 17 HN HIS 17 6.416 4.377 -0.119
142 HA HIS 17 HA HIS 17 7.622 6.829 -0.835
143 HB2 HIS 17 HB2 HIS 17 5.483 6.141 1.183
144 HB3 HIS 17 HB1 HIS 17 5.981 7.797 0.839
145 HD2 HIS 17 HD2 HIS 17 3.132 5.849 -0.247
146 HE1 HIS 17 HE1 HIS 17 4.433 7.565 -3.879
147 HE2 HIS 17 HE2 HIS 17 2.504 6.383 -2.726
148 H ARG 18 HN ARG 18 7.810 4.845 2.067
149 HA ARG 18 HA ARG 18 8.974 6.711 3.813
150 HB2 ARG 18 HB2 ARG 18 8.135 4.474 4.499
151 HB3 ARG 18 HB1 ARG 18 9.504 3.733 3.673
152 HG2 ARG 18 HG2 ARG 18 11.064 4.973 5.135
153 HG3 ARG 18 HG1 ARG 18 9.694 5.710 5.965
154 HD2 ARG 18 HD2 ARG 18 10.174 2.725 5.793
155 HD3 ARG 18 HD1 ARG 18 10.642 3.724 7.166
156 HE ARG 18 HE ARG 18 7.952 2.881 6.475
157 HH11 ARG 18 HH21 ARG 18 9.970 5.137 8.153
158 HH12 ARG 18 HH22 ARG 18 8.753 5.581 9.302
159 HH21 ARG 18 HH11 ARG 18 6.351 3.459 7.980
160 HH22 ARG 18 HH12 ARG 18 6.704 4.632 9.204
161 H LEU 19 HN LEU 19 10.486 4.456 1.508
162 HA LEU 19 HA LEU 19 13.164 5.118 2.128
163 HB2 LEU 19 HB2 LEU 19 12.079 4.184 -0.538
164 HB3 LEU 19 HB1 LEU 19 13.738 4.030 0.042
165 HG LEU 19 HG LEU 19 11.308 2.746 1.324
166 HD11 LEU 19 HD11 LEU 19 13.526 1.629 -0.412
167 HD12 LEU 19 HD12 LEU 19 11.801 1.654 -0.773
168 HD13 LEU 19 HD13 LEU 19 12.414 0.628 0.523
169 HD21 LEU 19 HD21 LEU 19 12.826 3.020 3.087
170 HD22 LEU 19 HD22 LEU 19 14.236 2.865 2.037
171 HD23 LEU 19 HD23 LEU 19 13.292 1.439 2.468
172 H VAL 20 HN VAL 20 10.905 6.409 -0.291
173 HA VAL 20 HA VAL 20 12.726 8.186 -1.524
174 HB VAL 20 HB VAL 20 9.711 8.290 -1.280
175 HG11 VAL 20 HG11 VAL 20 9.989 9.775 -3.358
176 HG12 VAL 20 HG12 VAL 20 11.677 9.945 -2.875
177 HG13 VAL 20 HG13 VAL 20 10.393 10.511 -1.806
178 HG21 VAL 20 HG21 VAL 20 11.535 7.411 -3.543
179 HG22 VAL 20 HG22 VAL 20 9.771 7.367 -3.548
180 HG23 VAL 20 HG23 VAL 20 10.676 6.316 -2.459
181 H THR 21 HN THR 21 10.412 8.628 1.139
182 HA THR 21 HA THR 21 10.881 11.389 1.522
183 HB THR 21 HB THR 21 10.081 9.403 3.655
184 HG1 THR 21 HG1 THR 21 8.269 10.822 2.058
185 HG21 THR 21 HG21 THR 21 9.470 12.341 3.220
186 HG22 THR 21 HG22 THR 21 10.574 11.686 4.430
187 HG23 THR 21 HG23 THR 21 8.846 11.351 4.540
188 H GLY 22 HN GLY 22 12.995 11.995 1.651
189 HA2 GLY 22 HA2 GLY 22 14.360 11.544 4.140
190 HA3 GLY 22 HA1 GLY 22 15.146 10.733 2.789
191 HN1 NH2 23 HT1 GLY 22 14.894 14.527 1.502
192 HN2 NH2 23 HT2 GLY 22 13.608 13.369 1.455
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 -12.434 -10.089 -3.818
2 H2 PHE 1 HT2 PHE 1 -12.349 -8.824 -2.685
3 H3 PHE 1 HT3 PHE 1 -12.205 -10.438 -2.175
4 HA PHE 1 HA PHE 1 -10.025 -10.202 -2.301
5 HB2 PHE 1 HB2 PHE 1 -10.763 -10.044 -5.235
6 HB3 PHE 1 HB1 PHE 1 -9.099 -10.200 -4.668
7 HD1 PHE 1 HD2 PHE 1 -8.393 -12.199 -3.368
8 HD2 PHE 1 HD1 PHE 1 -12.307 -11.900 -5.116
9 HE1 PHE 1 HE2 PHE 1 -8.722 -14.635 -3.049
10 HE2 PHE 1 HE1 PHE 1 -12.635 -14.338 -4.796
11 HZ PHE 1 HZ PHE 1 -10.843 -15.705 -3.763
12 H PHE 2 HN PHE 2 -11.712 -7.686 -4.148
13 HA PHE 2 HA PHE 2 -9.748 -5.866 -4.567
14 HB2 PHE 2 HB2 PHE 2 -12.565 -5.272 -3.634
15 HB3 PHE 2 HB1 PHE 2 -11.493 -4.142 -4.461
16 HD1 PHE 2 HD2 PHE 2 -10.744 -4.625 -6.817
17 HD2 PHE 2 HD1 PHE 2 -13.746 -6.965 -4.826
18 HE1 PHE 2 HE2 PHE 2 -11.482 -5.538 -9.003
19 HE2 PHE 2 HE1 PHE 2 -14.485 -7.878 -7.010
20 HZ PHE 2 HZ PHE 2 -13.352 -7.164 -9.098
21 H HIS 3 HN HIS 3 -11.321 -6.524 -1.456
22 HA HIS 3 HA HIS 3 -10.513 -4.248 -0.068
23 HB2 HIS 3 HB2 HIS 3 -10.820 -7.104 0.875
24 HB3 HIS 3 HB1 HIS 3 -10.610 -5.726 1.957
25 HD2 HIS 3 HD2 HIS 3 -12.941 -4.191 2.347
26 HE1 HIS 3 HE1 HIS 3 -15.382 -6.274 -0.397
27 HE2 HIS 3 HE2 HIS 3 -15.360 -4.489 1.410
28 H HIS 4 HN HIS 4 -8.810 -7.385 -0.327
29 HA HIS 4 HA HIS 4 -6.474 -6.466 1.039
30 HB2 HIS 4 HB2 HIS 4 -6.961 -8.879 -0.711
31 HB3 HIS 4 HB1 HIS 4 -5.469 -8.589 0.183
32 HD2 HIS 4 HD2 HIS 4 -8.968 -10.056 0.807
33 HE1 HIS 4 HE1 HIS 4 -7.223 -9.468 4.607
34 HE2 HIS 4 HE2 HIS 4 -9.163 -10.539 3.366
35 H ILE 5 HN ILE 5 -7.219 -7.019 -2.390
36 HA ILE 5 HA ILE 5 -4.653 -6.352 -3.377
37 HB ILE 5 HB ILE 5 -7.305 -6.078 -4.798
38 HG12 ILE 5 HG12 ILE 5 -7.064 -8.333 -3.896
39 HG13 ILE 5 HG11 ILE 5 -6.823 -8.365 -5.636
40 HG21 ILE 5 HG21 ILE 5 -5.959 -6.414 -6.831
41 HG22 ILE 5 HG22 ILE 5 -4.489 -6.447 -5.857
42 HG23 ILE 5 HG23 ILE 5 -5.446 -4.969 -5.962
43 HD11 ILE 5 HD11 ILE 5 -4.803 -8.707 -3.436
44 HD12 ILE 5 HD12 ILE 5 -4.274 -8.101 -5.001
45 HD13 ILE 5 HD13 ILE 5 -5.051 -9.677 -4.885
46 H PHE 6 HN PHE 6 -7.583 -4.375 -2.921
47 HA PHE 6 HA PHE 6 -6.484 -2.004 -4.067
48 HB2 PHE 6 HB2 PHE 6 -8.927 -2.416 -3.758
49 HB3 PHE 6 HB1 PHE 6 -8.700 -2.249 -2.017
50 HD1 PHE 6 HD1 PHE 6 -8.231 -0.469 -5.263
51 HD2 PHE 6 HD2 PHE 6 -8.639 -0.108 -1.002
52 HE1 PHE 6 HE1 PHE 6 -8.395 1.995 -5.488
53 HE2 PHE 6 HE2 PHE 6 -8.801 2.356 -1.227
54 HZ PHE 6 HZ PHE 6 -8.679 3.408 -3.470
55 H ARG 7 HN ARG 7 -6.842 -3.188 -0.746
56 HA ARG 7 HA ARG 7 -5.673 -0.957 0.539
57 HB2 ARG 7 HB2 ARG 7 -7.076 -2.680 1.674
58 HB3 ARG 7 HB1 ARG 7 -5.751 -3.830 1.498
59 HG2 ARG 7 HG2 ARG 7 -4.277 -2.274 2.784
60 HG3 ARG 7 HG1 ARG 7 -5.659 -1.206 3.020
61 HD2 ARG 7 HD2 ARG 7 -5.528 -4.096 3.919
62 HD3 ARG 7 HD1 ARG 7 -5.280 -2.703 4.968
63 HE ARG 7 HE ARG 7 -7.816 -3.667 3.942
64 HH11 ARG 7 HH21 ARG 7 -6.011 -1.002 5.213
65 HH12 ARG 7 HH22 ARG 7 -7.405 -0.167 5.814
66 HH21 ARG 7 HH11 ARG 7 -9.647 -2.582 4.732
67 HH22 ARG 7 HH12 ARG 7 -9.463 -1.060 5.542
68 H GLY 8 HN GLY 8 -4.331 -3.967 -0.739
69 HA2 GLY 8 HA2 GLY 8 -1.763 -3.870 0.331
70 HA3 GLY 8 HA1 GLY 8 -2.179 -4.595 -1.219
71 H ILE 9 HN ILE 9 -3.165 -2.102 -2.368
72 HA ILE 9 HA ILE 9 -0.751 -1.137 -3.503
73 HB ILE 9 HB ILE 9 -3.549 0.023 -3.469
74 HG12 ILE 9 HG12 ILE 9 -2.019 -1.324 -5.711
75 HG13 ILE 9 HG11 ILE 9 -3.084 -2.208 -4.617
76 HG21 ILE 9 HG21 ILE 9 -2.645 1.319 -5.488
77 HG22 ILE 9 HG22 ILE 9 -1.035 0.898 -4.906
78 HG23 ILE 9 HG23 ILE 9 -2.107 1.875 -3.904
79 HD11 ILE 9 HD11 ILE 9 -4.929 -0.607 -5.250
80 HD12 ILE 9 HD12 ILE 9 -4.370 -1.623 -6.578
81 HD13 ILE 9 HD13 ILE 9 -3.850 0.058 -6.477
82 H VAL 10 HN VAL 10 -2.919 0.174 -1.026
83 HA VAL 10 HA VAL 10 -1.547 2.599 -0.592
84 HB VAL 10 HB VAL 10 -3.223 0.957 1.320
85 HG11 VAL 10 HG11 VAL 10 -3.512 3.302 2.377
86 HG12 VAL 10 HG12 VAL 10 -2.058 3.742 1.480
87 HG13 VAL 10 HG13 VAL 10 -1.996 2.455 2.684
88 HG21 VAL 10 HG21 VAL 10 -4.942 2.705 0.683
89 HG22 VAL 10 HG22 VAL 10 -4.499 1.606 -0.623
90 HG23 VAL 10 HG23 VAL 10 -3.834 3.238 -0.582
91 H HIS 11 HN HIS 11 -1.261 -0.554 1.043
92 HA HIS 11 HA HIS 11 0.765 0.251 2.869
93 HB2 HIS 11 HB2 HIS 11 -0.618 -1.757 3.216
94 HB3 HIS 11 HB1 HIS 11 0.118 -2.506 1.798
95 HD2 HIS 11 HD2 HIS 11 1.073 -1.630 5.509
96 HE1 HIS 11 HE1 HIS 11 4.234 -3.869 3.830
97 HE2 HIS 11 HE2 HIS 11 3.332 -2.855 5.977
98 H VAL 12 HN VAL 12 0.863 -1.365 -0.276
99 HA VAL 12 HA VAL 12 3.638 -1.805 -0.406
100 HB VAL 12 HB VAL 12 1.583 -1.364 -2.581
101 HG11 VAL 12 HG11 VAL 12 3.631 -0.751 -3.624
102 HG12 VAL 12 HG12 VAL 12 3.396 -2.447 -4.049
103 HG13 VAL 12 HG13 VAL 12 4.533 -2.007 -2.774
104 HG21 VAL 12 HG21 VAL 12 1.701 -3.465 -0.962
105 HG22 VAL 12 HG22 VAL 12 3.044 -3.936 -1.998
106 HG23 VAL 12 HG23 VAL 12 1.441 -3.697 -2.690
107 H GLY 13 HN GLY 13 1.689 0.963 -1.514
108 HA2 GLY 13 HA2 GLY 13 3.884 2.475 -2.529
109 HA3 GLY 13 HA1 GLY 13 2.289 3.107 -2.130
110 H LYS 14 HN LYS 14 2.443 2.066 0.598
111 HA LYS 14 HA LYS 14 3.382 4.346 1.922
112 HB2 LYS 14 HB2 LYS 14 1.784 2.523 2.787
113 HB3 LYS 14 HB1 LYS 14 3.238 1.639 3.243
114 HG2 LYS 14 HG2 LYS 14 3.968 3.469 4.671
115 HG3 LYS 14 HG1 LYS 14 2.642 4.485 4.113
116 HD2 LYS 14 HD2 LYS 14 1.872 3.671 6.184
117 HD3 LYS 14 HD1 LYS 14 1.089 2.615 5.011
118 HE2 LYS 14 HE2 LYS 14 2.082 1.364 6.928
119 HE3 LYS 14 HE1 LYS 14 2.776 0.887 5.381
120 HZ1 LYS 14 HZ1 LYS 14 4.728 2.030 5.815
121 HZ2 LYS 14 HZ2 LYS 14 4.339 1.374 7.331
122 HZ3 LYS 14 HZ3 LYS 14 4.022 3.011 7.006
123 H THR 15 HN THR 15 4.970 1.204 1.414
124 HA THR 15 HA THR 15 7.302 1.802 2.926
125 HB THR 15 HB THR 15 8.305 -0.086 1.588
126 HG1 THR 15 HG1 THR 15 7.253 -0.831 -0.077
127 HG21 THR 15 HG21 THR 15 7.160 -0.585 3.662
128 HG22 THR 15 HG22 THR 15 6.685 -1.792 2.468
129 HG23 THR 15 HG23 THR 15 5.587 -0.472 2.872
130 H ILE 16 HN ILE 16 6.413 2.297 -0.447
131 HA ILE 16 HA ILE 16 8.989 3.020 -1.409
132 HB ILE 16 HB ILE 16 6.312 4.017 -2.404
133 HG12 ILE 16 HG12 ILE 16 6.284 1.586 -2.307
134 HG13 ILE 16 HG11 ILE 16 6.453 2.085 -3.983
135 HG21 ILE 16 HG21 ILE 16 8.053 5.283 -3.419
136 HG22 ILE 16 HG22 ILE 16 7.618 4.044 -4.598
137 HG23 ILE 16 HG23 ILE 16 9.074 3.858 -3.620
138 HD11 ILE 16 HD11 ILE 16 8.516 0.872 -2.154
139 HD12 ILE 16 HD12 ILE 16 9.025 1.842 -3.534
140 HD13 ILE 16 HD13 ILE 16 8.062 0.389 -3.785
141 H HIS 17 HN HIS 17 6.268 4.996 -0.265
142 HA HIS 17 HA HIS 17 7.457 7.505 -0.538
143 HB2 HIS 17 HB2 HIS 17 5.075 7.194 -0.001
144 HB3 HIS 17 HB1 HIS 17 5.513 6.610 1.606
145 HD2 HIS 17 HD2 HIS 17 5.659 8.643 3.465
146 HE1 HIS 17 HE1 HIS 17 6.174 11.869 0.791
147 HE2 HIS 17 HE2 HIS 17 5.888 11.234 3.233
148 H ARG 18 HN ARG 18 7.501 5.305 2.274
149 HA ARG 18 HA ARG 18 9.027 6.976 3.959
150 HB2 ARG 18 HB2 ARG 18 8.664 3.977 3.862
151 HB3 ARG 18 HB1 ARG 18 9.589 4.791 5.123
152 HG2 ARG 18 HG2 ARG 18 7.633 6.106 5.764
153 HG3 ARG 18 HG1 ARG 18 6.698 5.405 4.442
154 HD2 ARG 18 HD2 ARG 18 6.151 4.243 6.514
155 HD3 ARG 18 HD1 ARG 18 7.027 3.150 5.446
156 HE ARG 18 HE ARG 18 8.835 4.504 7.184
157 HH11 ARG 18 HH21 ARG 18 6.417 2.031 7.066
158 HH12 ARG 18 HH22 ARG 18 7.084 1.124 8.383
159 HH21 ARG 18 HH11 ARG 18 9.713 3.321 8.912
160 HH22 ARG 18 HH12 ARG 18 8.951 1.855 9.427
161 H LEU 19 HN LEU 19 9.979 4.446 1.655
162 HA LEU 19 HA LEU 19 12.736 4.469 2.241
163 HB2 LEU 19 HB2 LEU 19 11.694 2.672 0.944
164 HB3 LEU 19 HB1 LEU 19 11.314 3.803 -0.350
165 HG LEU 19 HG LEU 19 13.705 4.200 -0.744
166 HD11 LEU 19 HD11 LEU 19 15.267 2.476 0.494
167 HD12 LEU 19 HD12 LEU 19 13.986 2.469 1.706
168 HD13 LEU 19 HD13 LEU 19 14.811 3.973 1.305
169 HD21 LEU 19 HD21 LEU 19 14.205 2.084 -1.752
170 HD22 LEU 19 HD22 LEU 19 12.449 2.243 -1.783
171 HD23 LEU 19 HD23 LEU 19 13.219 1.215 -0.575
172 H VAL 20 HN VAL 20 10.828 6.286 -0.149
173 HA VAL 20 HA VAL 20 13.007 7.628 -1.350
174 HB VAL 20 HB VAL 20 10.090 8.401 -1.115
175 HG11 VAL 20 HG11 VAL 20 11.293 10.424 -1.573
176 HG12 VAL 20 HG12 VAL 20 10.678 9.857 -3.126
177 HG13 VAL 20 HG13 VAL 20 12.372 9.603 -2.702
178 HG21 VAL 20 HG21 VAL 20 10.826 6.263 -2.357
179 HG22 VAL 20 HG22 VAL 20 11.597 7.343 -3.517
180 HG23 VAL 20 HG23 VAL 20 9.851 7.415 -3.269
181 H THR 21 HN THR 21 10.856 8.540 1.337
182 HA THR 21 HA THR 21 12.031 11.100 1.750
183 HB THR 21 HB THR 21 10.873 10.960 3.976
184 HG1 THR 21 HG1 THR 21 9.381 9.022 3.926
185 HG21 THR 21 HG21 THR 21 9.638 11.887 2.149
186 HG22 THR 21 HG22 THR 21 8.559 10.731 2.931
187 HG23 THR 21 HG23 THR 21 9.380 10.296 1.431
188 H GLY 22 HN GLY 22 14.248 10.949 1.894
189 HA2 GLY 22 HA2 GLY 22 15.362 10.427 4.442
190 HA3 GLY 22 HA1 GLY 22 15.733 9.086 3.362
191 HN1 NH2 23 HT1 GLY 22 17.039 12.267 1.289
192 HN2 NH2 23 HT2 GLY 22 15.391 11.742 1.380
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 -13.069 -9.972 -3.001
2 H2 PHE 1 HT2 PHE 1 -13.026 -8.300 -3.309
3 H3 PHE 1 HT3 PHE 1 -12.547 -8.900 -1.794
4 HA PHE 1 HA PHE 1 -10.596 -9.846 -2.638
5 HB2 PHE 1 HB2 PHE 1 -11.732 -9.202 -5.378
6 HB3 PHE 1 HB1 PHE 1 -10.150 -9.918 -5.069
7 HD1 PHE 1 HD2 PHE 1 -10.052 -12.118 -3.753
8 HD2 PHE 1 HD1 PHE 1 -13.663 -10.570 -5.489
9 HE1 PHE 1 HE2 PHE 1 -11.087 -14.368 -3.609
10 HE2 PHE 1 HE1 PHE 1 -14.698 -12.820 -5.346
11 HZ PHE 1 HZ PHE 1 -13.409 -14.718 -4.407
12 H PHE 2 HN PHE 2 -12.033 -7.069 -4.404
13 HA PHE 2 HA PHE 2 -9.818 -5.521 -4.736
14 HB2 PHE 2 HB2 PHE 2 -12.590 -4.580 -3.977
15 HB3 PHE 2 HB1 PHE 2 -11.338 -3.583 -4.717
16 HD1 PHE 2 HD2 PHE 2 -10.479 -4.166 -7.017
17 HD2 PHE 2 HD1 PHE 2 -13.902 -6.088 -5.275
18 HE1 PHE 2 HE2 PHE 2 -11.171 -4.968 -9.260
19 HE2 PHE 2 HE1 PHE 2 -14.594 -6.890 -7.516
20 HZ PHE 2 HZ PHE 2 -13.229 -6.330 -9.509
21 H HIS 3 HN HIS 3 -11.667 -5.900 -1.723
22 HA HIS 3 HA HIS 3 -10.623 -3.737 -0.307
23 HB2 HIS 3 HB2 HIS 3 -11.380 -6.491 0.693
24 HB3 HIS 3 HB1 HIS 3 -11.167 -5.068 1.713
25 HD2 HIS 3 HD2 HIS 3 -13.956 -6.755 -0.257
26 HE1 HIS 3 HE1 HIS 3 -15.216 -2.765 0.302
27 HE2 HIS 3 HE2 HIS 3 -15.955 -5.083 -0.427
28 H HIS 4 HN HIS 4 -9.451 -7.118 -0.310
29 HA HIS 4 HA HIS 4 -7.095 -6.496 1.184
30 HB2 HIS 4 HB2 HIS 4 -7.832 -8.921 -0.467
31 HB3 HIS 4 HB1 HIS 4 -6.404 -8.811 0.562
32 HD2 HIS 4 HD2 HIS 4 -10.110 -9.713 0.895
33 HE1 HIS 4 HE1 HIS 4 -8.721 -9.012 4.818
34 HE2 HIS 4 HE2 HIS 4 -10.646 -9.928 3.441
35 H ILE 5 HN ILE 5 -7.740 -7.090 -2.244
36 HA ILE 5 HA ILE 5 -5.061 -6.967 -3.136
37 HB ILE 5 HB ILE 5 -7.661 -6.401 -4.573
38 HG12 ILE 5 HG12 ILE 5 -5.814 -8.800 -4.735
39 HG13 ILE 5 HG11 ILE 5 -7.207 -8.729 -3.655
40 HG21 ILE 5 HG21 ILE 5 -6.214 -6.847 -6.635
41 HG22 ILE 5 HG22 ILE 5 -4.817 -6.606 -5.590
42 HG23 ILE 5 HG23 ILE 5 -5.963 -5.291 -5.847
43 HD11 ILE 5 HD11 ILE 5 -8.643 -8.227 -5.663
44 HD12 ILE 5 HD12 ILE 5 -7.908 -9.830 -5.693
45 HD13 ILE 5 HD13 ILE 5 -7.234 -8.532 -6.679
46 H PHE 6 HN PHE 6 -7.563 -4.453 -2.861
47 HA PHE 6 HA PHE 6 -5.968 -2.381 -4.008
48 HB2 PHE 6 HB2 PHE 6 -8.468 -2.342 -3.854
49 HB3 PHE 6 HB1 PHE 6 -8.312 -2.084 -2.117
50 HD1 PHE 6 HD1 PHE 6 -7.179 -0.708 -5.408
51 HD2 PHE 6 HD2 PHE 6 -8.054 0.107 -1.282
52 HE1 PHE 6 HE1 PHE 6 -6.851 1.716 -5.818
53 HE2 PHE 6 HE2 PHE 6 -7.728 2.531 -1.692
54 HZ PHE 6 HZ PHE 6 -7.125 3.336 -3.959
55 H ARG 7 HN ARG 7 -6.667 -3.414 -0.695
56 HA ARG 7 HA ARG 7 -5.332 -1.347 0.647
57 HB2 ARG 7 HB2 ARG 7 -6.865 -2.976 1.738
58 HB3 ARG 7 HB1 ARG 7 -5.641 -4.223 1.539
59 HG2 ARG 7 HG2 ARG 7 -5.486 -3.326 3.796
60 HG3 ARG 7 HG1 ARG 7 -4.053 -2.853 2.893
61 HD2 ARG 7 HD2 ARG 7 -5.321 -1.065 4.340
62 HD3 ARG 7 HD1 ARG 7 -4.719 -0.615 2.752
63 HE ARG 7 HE ARG 7 -6.925 -0.439 2.016
64 HH11 ARG 7 HH21 ARG 7 -6.725 -2.039 5.077
65 HH12 ARG 7 HH22 ARG 7 -8.438 -2.042 5.343
66 HH21 ARG 7 HH11 ARG 7 -9.170 -0.447 2.352
67 HH22 ARG 7 HH12 ARG 7 -9.822 -1.142 3.800
68 H GLY 8 HN GLY 8 -4.135 -4.427 -0.646
69 HA2 GLY 8 HA2 GLY 8 -1.524 -4.200 0.483
70 HA3 GLY 8 HA1 GLY 8 -1.999 -5.267 -0.835
71 H ILE 9 HN ILE 9 -2.962 -3.262 -2.615
72 HA ILE 9 HA ILE 9 -0.551 -2.558 -3.923
73 HB ILE 9 HB ILE 9 -3.395 -1.614 -4.314
74 HG12 ILE 9 HG12 ILE 9 -2.558 -4.077 -4.771
75 HG13 ILE 9 HG11 ILE 9 -3.576 -3.269 -5.957
76 HG21 ILE 9 HG21 ILE 9 -2.143 0.150 -5.242
77 HG22 ILE 9 HG22 ILE 9 -2.450 -0.906 -6.619
78 HG23 ILE 9 HG23 ILE 9 -0.876 -0.930 -5.825
79 HD11 ILE 9 HD11 ILE 9 -1.442 -4.487 -6.800
80 HD12 ILE 9 HD12 ILE 9 -0.566 -3.100 -6.159
81 HD13 ILE 9 HD13 ILE 9 -1.777 -2.871 -7.419
82 H VAL 10 HN VAL 10 -2.924 -0.491 -2.241
83 HA VAL 10 HA VAL 10 -1.459 1.906 -2.503
84 HB VAL 10 HB VAL 10 -3.853 1.839 -1.905
85 HG11 VAL 10 HG11 VAL 10 -3.624 -0.133 -0.378
86 HG12 VAL 10 HG12 VAL 10 -4.554 1.190 0.318
87 HG13 VAL 10 HG13 VAL 10 -2.882 0.929 0.816
88 HG21 VAL 10 HG21 VAL 10 -3.787 3.657 -0.327
89 HG22 VAL 10 HG22 VAL 10 -2.337 3.791 -1.321
90 HG23 VAL 10 HG23 VAL 10 -2.230 3.126 0.309
91 H HIS 11 HN HIS 11 -1.332 -0.676 -0.122
92 HA HIS 11 HA HIS 11 0.228 0.688 1.824
93 HB2 HIS 11 HB2 HIS 11 -0.438 -2.166 1.199
94 HB3 HIS 11 HB1 HIS 11 0.944 -1.876 2.255
95 HD2 HIS 11 HD2 HIS 11 -0.462 -2.661 4.606
96 HE1 HIS 11 HE1 HIS 11 -3.332 0.430 4.446
97 HE2 HIS 11 HE2 HIS 11 -2.389 -1.442 5.879
98 H VAL 12 HN VAL 12 1.139 -1.521 -0.814
99 HA VAL 12 HA VAL 12 3.863 -1.627 -0.518
100 HB VAL 12 HB VAL 12 2.221 -1.422 -3.049
101 HG11 VAL 12 HG11 VAL 12 5.202 -1.776 -2.690
102 HG12 VAL 12 HG12 VAL 12 4.356 -0.661 -3.763
103 HG13 VAL 12 HG13 VAL 12 4.365 -2.388 -4.117
104 HG21 VAL 12 HG21 VAL 12 2.454 -3.785 -3.126
105 HG22 VAL 12 HG22 VAL 12 2.118 -3.434 -1.432
106 HG23 VAL 12 HG23 VAL 12 3.766 -3.779 -1.947
107 H GLY 13 HN GLY 13 1.939 1.104 -1.532
108 HA2 GLY 13 HA2 GLY 13 4.125 2.681 -2.532
109 HA3 GLY 13 HA1 GLY 13 2.506 3.263 -2.156
110 H LYS 14 HN LYS 14 2.512 2.268 0.552
111 HA LYS 14 HA LYS 14 3.569 4.518 1.890
112 HB2 LYS 14 HB2 LYS 14 2.681 1.828 2.944
113 HB3 LYS 14 HB1 LYS 14 3.150 3.171 3.982
114 HG2 LYS 14 HG2 LYS 14 1.408 4.583 2.939
115 HG3 LYS 14 HG1 LYS 14 0.927 3.225 1.919
116 HD2 LYS 14 HD2 LYS 14 0.323 1.910 3.885
117 HD3 LYS 14 HD1 LYS 14 0.897 3.193 4.950
118 HE2 LYS 14 HE2 LYS 14 -1.542 3.317 4.731
119 HE3 LYS 14 HE1 LYS 14 -0.795 4.731 3.987
120 HZ1 LYS 14 HZ1 LYS 14 -1.100 3.835 1.849
121 HZ2 LYS 14 HZ2 LYS 14 -2.578 3.599 2.655
122 HZ3 LYS 14 HZ3 LYS 14 -1.501 2.300 2.450
123 H THR 15 HN THR 15 4.804 1.192 1.603
124 HA THR 15 HA THR 15 7.103 1.632 3.232
125 HB THR 15 HB THR 15 7.930 -0.471 2.071
126 HG1 THR 15 HG1 THR 15 6.936 -0.542 0.176
127 HG21 THR 15 HG21 THR 15 6.745 -0.640 4.169
128 HG22 THR 15 HG22 THR 15 6.114 -1.885 3.092
129 HG23 THR 15 HG23 THR 15 5.194 -0.405 3.363
130 H ILE 16 HN ILE 16 6.533 1.691 -0.252
131 HA ILE 16 HA ILE 16 9.219 2.175 -1.038
132 HB ILE 16 HB ILE 16 6.598 2.802 -2.417
133 HG12 ILE 16 HG12 ILE 16 8.671 0.664 -2.991
134 HG13 ILE 16 HG11 ILE 16 7.268 0.386 -1.962
135 HG21 ILE 16 HG21 ILE 16 8.195 4.291 -3.387
136 HG22 ILE 16 HG22 ILE 16 8.132 2.903 -4.473
137 HG23 ILE 16 HG23 ILE 16 9.468 3.074 -3.336
138 HD11 ILE 16 HD11 ILE 16 7.281 1.124 -4.897
139 HD12 ILE 16 HD12 ILE 16 5.826 1.177 -3.902
140 HD13 ILE 16 HD13 ILE 16 6.660 -0.355 -4.164
141 H HIS 17 HN HIS 17 6.505 4.346 -0.353
142 HA HIS 17 HA HIS 17 7.736 6.773 -1.030
143 HB2 HIS 17 HB2 HIS 17 5.304 6.457 -0.525
144 HB3 HIS 17 HB1 HIS 17 5.722 6.337 1.185
145 HD2 HIS 17 HD2 HIS 17 5.146 9.069 -1.484
146 HE1 HIS 17 HE1 HIS 17 6.749 11.002 1.909
147 HE2 HIS 17 HE2 HIS 17 5.656 11.368 -0.355
148 H ARG 18 HN ARG 18 7.914 4.819 1.884
149 HA ARG 18 HA ARG 18 9.026 6.660 3.661
150 HB2 ARG 18 HB2 ARG 18 8.283 4.286 4.173
151 HB3 ARG 18 HB1 ARG 18 9.811 3.746 3.482
152 HG2 ARG 18 HG2 ARG 18 10.395 3.906 5.734
153 HG3 ARG 18 HG1 ARG 18 10.862 5.505 5.165
154 HD2 ARG 18 HD2 ARG 18 8.738 6.438 5.957
155 HD3 ARG 18 HD1 ARG 18 8.192 4.834 6.441
156 HE ARG 18 HE ARG 18 9.558 4.979 8.324
157 HH11 ARG 18 HH21 ARG 18 10.268 7.482 6.044
158 HH12 ARG 18 HH22 ARG 18 11.282 8.373 7.130
159 HH21 ARG 18 HH11 ARG 18 10.881 6.143 9.755
160 HH22 ARG 18 HH12 ARG 18 11.628 7.615 9.230
161 H LEU 19 HN LEU 19 10.647 4.564 1.283
162 HA LEU 19 HA LEU 19 13.297 5.268 1.944
163 HB2 LEU 19 HB2 LEU 19 11.980 4.197 -0.545
164 HB3 LEU 19 HB1 LEU 19 13.688 4.641 -0.570
165 HG LEU 19 HG LEU 19 14.086 3.131 1.365
166 HD11 LEU 19 HD11 LEU 19 12.153 1.442 1.761
167 HD12 LEU 19 HD12 LEU 19 11.124 2.670 1.023
168 HD13 LEU 19 HD13 LEU 19 12.016 3.039 2.499
169 HD21 LEU 19 HD21 LEU 19 12.665 1.743 -0.931
170 HD22 LEU 19 HD22 LEU 19 13.914 1.055 0.106
171 HD23 LEU 19 HD23 LEU 19 14.316 2.359 -1.013
172 H VAL 20 HN VAL 20 10.986 6.700 -0.342
173 HA VAL 20 HA VAL 20 12.736 8.606 -1.468
174 HB VAL 20 HB VAL 20 9.731 8.674 -1.085
175 HG11 VAL 20 HG11 VAL 20 10.458 10.940 -1.438
176 HG12 VAL 20 HG12 VAL 20 9.869 10.347 -2.990
177 HG13 VAL 20 HG13 VAL 20 11.602 10.440 -2.683
178 HG21 VAL 20 HG21 VAL 20 10.553 6.813 -2.470
179 HG22 VAL 20 HG22 VAL 20 11.493 7.942 -3.446
180 HG23 VAL 20 HG23 VAL 20 9.731 8.008 -3.474
181 H THR 21 HN THR 21 10.535 8.776 1.320
182 HA THR 21 HA THR 21 11.155 11.495 1.944
183 HB THR 21 HB THR 21 10.108 9.506 3.954
184 HG1 THR 21 HG1 THR 21 9.083 9.295 1.830
185 HG21 THR 21 HG21 THR 21 9.519 12.417 3.340
186 HG22 THR 21 HG22 THR 21 10.463 11.810 4.701
187 HG23 THR 21 HG23 THR 21 8.735 11.473 4.605
188 H GLY 22 HN GLY 22 13.099 8.887 1.999
189 HA2 GLY 22 HA2 GLY 22 14.319 9.009 4.569
190 HA3 GLY 22 HA1 GLY 22 15.025 8.295 3.122
191 HN1 NH2 23 HT1 GLY 22 15.618 12.222 2.536
192 HN2 NH2 23 HT2 GLY 22 14.135 11.379 2.233
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 -12.486 -9.616 -4.250
2 H2 PHE 1 HT2 PHE 1 -12.554 -8.607 -2.887
3 H3 PHE 1 HT3 PHE 1 -12.241 -10.266 -2.704
4 HA PHE 1 HA PHE 1 -10.122 -9.569 -2.559
5 HB2 PHE 1 HB2 PHE 1 -10.571 -9.433 -5.561
6 HB3 PHE 1 HB1 PHE 1 -9.020 -9.685 -4.759
7 HD1 PHE 1 HD1 PHE 1 -8.729 -11.728 -3.265
8 HD2 PHE 1 HD2 PHE 1 -12.059 -11.245 -5.935
9 HE1 PHE 1 HE1 PHE 1 -9.187 -14.161 -3.134
10 HE2 PHE 1 HE2 PHE 1 -12.517 -13.677 -5.805
11 HZ PHE 1 HZ PHE 1 -11.082 -15.137 -4.404
12 H PHE 2 HN PHE 2 -12.094 -7.373 -4.517
13 HA PHE 2 HA PHE 2 -10.459 -5.270 -4.960
14 HB2 PHE 2 HB2 PHE 2 -13.319 -5.211 -4.002
15 HB3 PHE 2 HB1 PHE 2 -12.472 -3.820 -4.676
16 HD1 PHE 2 HD1 PHE 2 -11.734 -3.813 -7.039
17 HD2 PHE 2 HD2 PHE 2 -14.029 -7.054 -5.398
18 HE1 PHE 2 HE1 PHE 2 -12.249 -4.609 -9.331
19 HE2 PHE 2 HE2 PHE 2 -14.543 -7.849 -7.691
20 HZ PHE 2 HZ PHE 2 -13.654 -6.626 -9.657
21 H HIS 3 HN HIS 3 -11.856 -6.155 -1.821
22 HA HIS 3 HA HIS 3 -11.112 -3.733 -0.490
23 HB2 HIS 3 HB2 HIS 3 -12.868 -5.185 0.375
24 HB3 HIS 3 HB1 HIS 3 -11.709 -6.497 0.583
25 HD2 HIS 3 HD2 HIS 3 -10.848 -6.573 3.188
26 HE1 HIS 3 HE1 HIS 3 -11.121 -2.449 4.059
27 HE2 HIS 3 HE2 HIS 3 -10.511 -4.726 5.004
28 H HIS 4 HN HIS 4 -9.704 -7.029 -0.353
29 HA HIS 4 HA HIS 4 -7.414 -6.198 1.140
30 HB2 HIS 4 HB2 HIS 4 -8.042 -8.708 -0.410
31 HB3 HIS 4 HB1 HIS 4 -6.560 -8.490 0.521
32 HD2 HIS 4 HD2 HIS 4 -6.892 -8.621 3.328
33 HE1 HIS 4 HE1 HIS 4 -11.042 -9.391 3.276
34 HE2 HIS 4 HE2 HIS 4 -8.978 -9.285 4.752
35 H ILE 5 HN ILE 5 -7.785 -7.186 -2.259
36 HA ILE 5 HA ILE 5 -5.155 -6.894 -3.088
37 HB ILE 5 HB ILE 5 -7.207 -7.752 -4.405
38 HG12 ILE 5 HG12 ILE 5 -6.113 -7.066 -6.595
39 HG13 ILE 5 HG11 ILE 5 -5.054 -6.016 -5.659
40 HG21 ILE 5 HG21 ILE 5 -8.324 -5.434 -4.134
41 HG22 ILE 5 HG22 ILE 5 -8.446 -6.228 -5.703
42 HG23 ILE 5 HG23 ILE 5 -7.282 -4.926 -5.457
43 HD11 ILE 5 HD11 ILE 5 -4.456 -8.603 -6.277
44 HD12 ILE 5 HD12 ILE 5 -5.190 -8.827 -4.691
45 HD13 ILE 5 HD13 ILE 5 -3.802 -7.756 -4.881
46 H PHE 6 HN PHE 6 -7.635 -4.390 -2.748
47 HA PHE 6 HA PHE 6 -6.131 -2.292 -3.958
48 HB2 PHE 6 HB2 PHE 6 -8.547 -2.145 -3.775
49 HB3 PHE 6 HB1 PHE 6 -8.449 -2.202 -2.016
50 HD1 PHE 6 HD1 PHE 6 -7.265 -0.233 -4.972
51 HD2 PHE 6 HD2 PHE 6 -8.194 -0.213 -0.780
52 HE1 PHE 6 HE1 PHE 6 -6.941 2.225 -4.913
53 HE2 PHE 6 HE2 PHE 6 -7.871 2.244 -0.719
54 HZ PHE 6 HZ PHE 6 -7.244 3.464 -2.786
55 H ARG 7 HN ARG 7 -6.570 -3.381 -0.632
56 HA ARG 7 HA ARG 7 -5.192 -1.284 0.645
57 HB2 ARG 7 HB2 ARG 7 -6.647 -2.915 1.819
58 HB3 ARG 7 HB1 ARG 7 -5.432 -4.163 1.544
59 HG2 ARG 7 HG2 ARG 7 -3.784 -2.902 2.831
60 HG3 ARG 7 HG1 ARG 7 -4.925 -1.572 3.034
61 HD2 ARG 7 HD2 ARG 7 -5.436 -4.391 4.011
62 HD3 ARG 7 HD1 ARG 7 -4.783 -3.106 5.024
63 HE ARG 7 HE ARG 7 -7.087 -2.050 3.949
64 HH11 ARG 7 HH21 ARG 7 -6.214 -4.861 5.768
65 HH12 ARG 7 HH22 ARG 7 -7.738 -4.976 6.582
66 HH21 ARG 7 HH11 ARG 7 -9.089 -2.195 5.012
67 HH22 ARG 7 HH12 ARG 7 -9.366 -3.469 6.153
68 H GLY 8 HN GLY 8 -4.051 -4.294 -0.814
69 HA2 GLY 8 HA2 GLY 8 -1.474 -4.456 0.201
70 HA3 GLY 8 HA1 GLY 8 -1.944 -4.978 -1.412
71 H ILE 9 HN ILE 9 -2.753 -2.346 -2.308
72 HA ILE 9 HA ILE 9 -0.271 -1.405 -3.321
73 HB ILE 9 HB ILE 9 -3.037 -0.182 -3.319
74 HG12 ILE 9 HG12 ILE 9 -2.866 -0.775 -5.758
75 HG13 ILE 9 HG11 ILE 9 -1.332 -1.567 -5.417
76 HG21 ILE 9 HG21 ILE 9 -1.997 1.284 -5.164
77 HG22 ILE 9 HG22 ILE 9 -0.438 0.827 -4.477
78 HG23 ILE 9 HG23 ILE 9 -1.613 1.699 -3.493
79 HD11 ILE 9 HD11 ILE 9 -2.335 -3.287 -4.203
80 HD12 ILE 9 HD12 ILE 9 -3.543 -2.984 -5.448
81 HD13 ILE 9 HD13 ILE 9 -3.766 -2.330 -3.830
82 H VAL 10 HN VAL 10 -2.410 -0.235 -0.751
83 HA VAL 10 HA VAL 10 -1.068 2.148 -0.153
84 HB VAL 10 HB VAL 10 -2.595 0.281 1.675
85 HG11 VAL 10 HG11 VAL 10 -1.274 1.696 3.080
86 HG12 VAL 10 HG12 VAL 10 -2.877 2.431 3.027
87 HG13 VAL 10 HG13 VAL 10 -1.567 3.101 2.054
88 HG21 VAL 10 HG21 VAL 10 -4.496 1.629 1.191
89 HG22 VAL 10 HG22 VAL 10 -3.738 1.340 -0.375
90 HG23 VAL 10 HG23 VAL 10 -3.512 2.887 0.443
91 H HIS 11 HN HIS 11 -0.595 -1.126 1.194
92 HA HIS 11 HA HIS 11 1.442 -0.434 3.028
93 HB2 HIS 11 HB2 HIS 11 0.802 -3.030 1.618
94 HB3 HIS 11 HB1 HIS 11 2.040 -2.885 2.866
95 HD2 HIS 11 HD2 HIS 11 -1.592 -3.772 2.754
96 HE1 HIS 11 HE1 HIS 11 -1.084 -1.945 6.526
97 HE2 HIS 11 HE2 HIS 11 -2.651 -3.347 5.102
98 H VAL 12 HN VAL 12 1.594 -1.675 -0.280
99 HA VAL 12 HA VAL 12 4.402 -1.770 -0.510
100 HB VAL 12 HB VAL 12 2.297 -1.336 -2.643
101 HG11 VAL 12 HG11 VAL 12 5.268 -1.887 -2.816
102 HG12 VAL 12 HG12 VAL 12 4.371 -0.565 -3.562
103 HG13 VAL 12 HG13 VAL 12 4.162 -2.215 -4.150
104 HG21 VAL 12 HG21 VAL 12 2.448 -3.699 -2.994
105 HG22 VAL 12 HG22 VAL 12 2.304 -3.482 -1.251
106 HG23 VAL 12 HG23 VAL 12 3.876 -3.831 -1.966
107 H GLY 13 HN GLY 13 2.092 0.804 -1.337
108 HA2 GLY 13 HA2 GLY 13 4.054 2.646 -2.275
109 HA3 GLY 13 HA1 GLY 13 2.400 3.041 -1.814
110 H LYS 14 HN LYS 14 2.677 1.937 0.867
111 HA LYS 14 HA LYS 14 3.494 4.248 2.253
112 HB2 LYS 14 HB2 LYS 14 1.916 2.551 3.162
113 HB3 LYS 14 HB1 LYS 14 3.268 1.438 3.355
114 HG2 LYS 14 HG2 LYS 14 4.376 3.033 4.873
115 HG3 LYS 14 HG1 LYS 14 3.042 4.167 4.660
116 HD2 LYS 14 HD2 LYS 14 1.478 2.500 5.604
117 HD3 LYS 14 HD1 LYS 14 2.822 1.379 5.830
118 HE2 LYS 14 HE2 LYS 14 3.921 2.980 7.339
119 HE3 LYS 14 HE1 LYS 14 2.599 4.124 7.103
120 HZ1 LYS 14 HZ1 LYS 14 1.085 2.377 7.962
121 HZ2 LYS 14 HZ2 LYS 14 2.205 2.938 9.109
122 HZ3 LYS 14 HZ3 LYS 14 2.442 1.436 8.351
123 H THR 15 HN THR 15 5.147 1.135 1.749
124 HA THR 15 HA THR 15 7.471 1.855 3.249
125 HB THR 15 HB THR 15 8.478 -0.133 2.068
126 HG1 THR 15 HG1 THR 15 7.502 -0.494 0.239
127 HG21 THR 15 HG21 THR 15 7.313 -0.394 4.200
128 HG22 THR 15 HG22 THR 15 6.939 -1.761 3.151
129 HG23 THR 15 HG23 THR 15 5.760 -0.466 3.368
130 H ILE 16 HN ILE 16 6.617 1.931 -0.183
131 HA ILE 16 HA ILE 16 9.179 2.697 -1.141
132 HB ILE 16 HB ILE 16 6.410 3.074 -2.303
133 HG12 ILE 16 HG12 ILE 16 8.639 1.173 -3.090
134 HG13 ILE 16 HG11 ILE 16 7.353 0.733 -1.969
135 HG21 ILE 16 HG21 ILE 16 7.704 4.733 -3.388
136 HG22 ILE 16 HG22 ILE 16 7.812 3.347 -4.471
137 HG23 ILE 16 HG23 ILE 16 9.153 3.729 -3.390
138 HD11 ILE 16 HD11 ILE 16 5.691 1.394 -3.764
139 HD12 ILE 16 HD12 ILE 16 6.673 -0.016 -4.157
140 HD13 ILE 16 HD13 ILE 16 7.056 1.551 -4.870
141 H HIS 17 HN HIS 17 6.303 4.564 -0.220
142 HA HIS 17 HA HIS 17 7.295 7.112 -0.902
143 HB2 HIS 17 HB2 HIS 17 5.243 6.229 1.135
144 HB3 HIS 17 HB1 HIS 17 5.584 7.923 0.776
145 HD2 HIS 17 HD2 HIS 17 3.079 8.282 -0.552
146 HE1 HIS 17 HE1 HIS 17 3.900 5.608 -3.715
147 HE2 HIS 17 HE2 HIS 17 2.297 7.393 -2.880
148 H ARG 18 HN ARG 18 7.541 5.195 2.055
149 HA ARG 18 HA ARG 18 8.709 7.196 3.682
150 HB2 ARG 18 HB2 ARG 18 8.801 4.175 3.784
151 HB3 ARG 18 HB1 ARG 18 9.551 5.194 5.010
152 HG2 ARG 18 HG2 ARG 18 6.677 5.718 4.284
153 HG3 ARG 18 HG1 ARG 18 7.043 4.328 5.302
154 HD2 ARG 18 HD2 ARG 18 8.011 7.138 5.899
155 HD3 ARG 18 HD1 ARG 18 6.539 6.447 6.577
156 HE ARG 18 HE ARG 18 8.661 4.669 7.077
157 HH11 ARG 18 HH21 ARG 18 7.569 7.846 7.903
158 HH12 ARG 18 HH22 ARG 18 8.307 7.842 9.470
159 HH21 ARG 18 HH11 ARG 18 9.632 4.657 9.130
160 HH22 ARG 18 HH12 ARG 18 9.476 6.036 10.164
161 H LEU 19 HN LEU 19 10.113 4.716 1.568
162 HA LEU 19 HA LEU 19 12.817 5.192 2.227
163 HB2 LEU 19 HB2 LEU 19 12.105 3.196 0.994
164 HB3 LEU 19 HB1 LEU 19 11.613 4.194 -0.372
165 HG LEU 19 HG LEU 19 13.951 4.953 -0.660
166 HD11 LEU 19 HD11 LEU 19 14.995 4.911 1.421
167 HD12 LEU 19 HD12 LEU 19 15.656 3.446 0.697
168 HD13 LEU 19 HD13 LEU 19 14.325 3.337 1.851
169 HD21 LEU 19 HD21 LEU 19 13.036 2.817 -1.721
170 HD22 LEU 19 HD22 LEU 19 13.899 1.932 -0.461
171 HD23 LEU 19 HD23 LEU 19 14.791 2.932 -1.605
172 H VAL 20 HN VAL 20 10.729 6.579 -0.298
173 HA VAL 20 HA VAL 20 12.697 8.165 -1.539
174 HB VAL 20 HB VAL 20 9.706 8.573 -1.320
175 HG11 VAL 20 HG11 VAL 20 10.133 9.938 -3.445
176 HG12 VAL 20 HG12 VAL 20 11.833 9.939 -2.979
177 HG13 VAL 20 HG13 VAL 20 10.630 10.687 -1.927
178 HG21 VAL 20 HG21 VAL 20 10.650 6.459 -2.422
179 HG22 VAL 20 HG22 VAL 20 11.333 7.528 -3.647
180 HG23 VAL 20 HG23 VAL 20 9.585 7.448 -3.423
181 H THR 21 HN THR 21 10.401 8.910 1.076
182 HA THR 21 HA THR 21 11.187 11.620 1.389
183 HB THR 21 HB THR 21 10.105 11.349 3.670
184 HG1 THR 21 HG1 THR 21 10.291 8.745 2.818
185 HG21 THR 21 HG21 THR 21 8.530 10.358 1.278
186 HG22 THR 21 HG22 THR 21 8.870 12.053 1.631
187 HG23 THR 21 HG23 THR 21 7.861 11.109 2.726
188 H GLY 22 HN GLY 22 13.379 11.887 1.563
189 HA2 GLY 22 HA2 GLY 22 15.096 10.294 3.166
190 HA3 GLY 22 HA1 GLY 22 15.472 11.892 2.529
191 HN1 NH2 23 HT1 GLY 22 13.178 12.739 5.712
192 HN2 NH2 23 HT2 GLY 22 12.590 12.255 4.158
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 -11.868 -8.735 0.268
2 H2 PHE 1 HT2 PHE 1 -12.352 -10.350 0.479
3 H3 PHE 1 HT3 PHE 1 -12.989 -9.430 -0.799
4 HA PHE 1 HA PHE 1 -10.188 -10.363 -0.490
5 HB2 PHE 1 HB2 PHE 1 -11.734 -12.079 -1.297
6 HB3 PHE 1 HB1 PHE 1 -12.374 -10.966 -2.505
7 HD1 PHE 1 HD1 PHE 1 -9.205 -12.604 -1.374
8 HD2 PHE 1 HD2 PHE 1 -11.349 -10.788 -4.625
9 HE1 PHE 1 HE1 PHE 1 -7.398 -13.266 -2.937
10 HE2 PHE 1 HE2 PHE 1 -9.541 -11.451 -6.187
11 HZ PHE 1 HZ PHE 1 -7.565 -12.691 -5.343
12 H PHE 2 HN PHE 2 -12.501 -8.312 -2.173
13 HA PHE 2 HA PHE 2 -10.641 -7.330 -4.126
14 HB2 PHE 2 HB2 PHE 2 -13.306 -6.261 -3.168
15 HB3 PHE 2 HB1 PHE 2 -12.389 -5.576 -4.509
16 HD1 PHE 2 HD1 PHE 2 -12.019 -6.871 -6.584
17 HD2 PHE 2 HD2 PHE 2 -14.429 -8.397 -3.372
18 HE1 PHE 2 HE1 PHE 2 -12.956 -8.592 -8.104
19 HE2 PHE 2 HE2 PHE 2 -15.366 -10.118 -4.892
20 HZ PHE 2 HZ PHE 2 -14.629 -10.214 -7.258
21 H HIS 3 HN HIS 3 -12.112 -5.862 -1.247
22 HA HIS 3 HA HIS 3 -10.687 -3.477 -1.205
23 HB2 HIS 3 HB2 HIS 3 -11.211 -3.349 1.169
24 HB3 HIS 3 HB1 HIS 3 -12.602 -3.985 0.293
25 HD2 HIS 3 HD2 HIS 3 -13.011 -6.838 0.643
26 HE1 HIS 3 HE1 HIS 3 -10.409 -7.141 3.954
27 HE2 HIS 3 HE2 HIS 3 -12.196 -8.348 2.610
28 H HIS 4 HN HIS 4 -9.743 -6.680 -0.156
29 HA HIS 4 HA HIS 4 -7.444 -5.955 1.352
30 HB2 HIS 4 HB2 HIS 4 -8.528 -8.207 1.415
31 HB3 HIS 4 HB1 HIS 4 -7.908 -8.510 -0.207
32 HD2 HIS 4 HD2 HIS 4 -6.542 -8.198 3.469
33 HE1 HIS 4 HE1 HIS 4 -3.376 -9.488 0.992
34 HE2 HIS 4 HE2 HIS 4 -4.081 -9.066 3.395
35 H ILE 5 HN ILE 5 -7.939 -6.803 -2.049
36 HA ILE 5 HA ILE 5 -5.220 -6.697 -2.830
37 HB ILE 5 HB ILE 5 -7.760 -6.280 -4.426
38 HG12 ILE 5 HG12 ILE 5 -5.844 -8.630 -4.328
39 HG13 ILE 5 HG11 ILE 5 -7.312 -8.532 -3.356
40 HG21 ILE 5 HG21 ILE 5 -4.861 -6.477 -5.292
41 HG22 ILE 5 HG22 ILE 5 -6.010 -5.192 -5.664
42 HG23 ILE 5 HG23 ILE 5 -6.206 -6.784 -6.392
43 HD11 ILE 5 HD11 ILE 5 -7.684 -9.800 -5.460
44 HD12 ILE 5 HD12 ILE 5 -7.221 -8.370 -6.383
45 HD13 ILE 5 HD13 ILE 5 -8.676 -8.343 -5.386
46 H PHE 6 HN PHE 6 -7.788 -4.254 -2.794
47 HA PHE 6 HA PHE 6 -6.259 -2.179 -4.001
48 HB2 PHE 6 HB2 PHE 6 -8.758 -2.209 -3.842
49 HB3 PHE 6 HB1 PHE 6 -8.607 -1.878 -2.115
50 HD1 PHE 6 HD1 PHE 6 -7.775 -0.569 -5.502
51 HD2 PHE 6 HD2 PHE 6 -8.156 0.319 -1.317
52 HE1 PHE 6 HE1 PHE 6 -7.516 1.849 -5.991
53 HE2 PHE 6 HE2 PHE 6 -7.896 2.737 -1.807
54 HZ PHE 6 HZ PHE 6 -7.576 3.501 -4.144
55 H ARG 7 HN ARG 7 -6.900 -3.116 -0.664
56 HA ARG 7 HA ARG 7 -5.616 -0.948 0.590
57 HB2 ARG 7 HB2 ARG 7 -7.121 -2.672 1.705
58 HB3 ARG 7 HB1 ARG 7 -5.738 -3.761 1.690
59 HG2 ARG 7 HG2 ARG 7 -5.481 -2.794 3.794
60 HG3 ARG 7 HG1 ARG 7 -4.490 -1.708 2.823
61 HD2 ARG 7 HD2 ARG 7 -6.472 -0.190 2.589
62 HD3 ARG 7 HD1 ARG 7 -7.372 -1.255 3.660
63 HE ARG 7 HE ARG 7 -5.107 -0.621 5.078
64 HH11 ARG 7 HH21 ARG 7 -7.612 1.120 3.444
65 HH12 ARG 7 HH22 ARG 7 -7.544 2.487 4.504
66 HH21 ARG 7 HH11 ARG 7 -5.013 1.171 6.474
67 HH22 ARG 7 HH12 ARG 7 -6.073 2.517 6.220
68 H GLY 8 HN GLY 8 -4.392 -4.004 -0.656
69 HA2 GLY 8 HA2 GLY 8 -1.842 -4.038 0.465
70 HA3 GLY 8 HA1 GLY 8 -2.255 -4.714 -1.108
71 H ILE 9 HN ILE 9 -3.126 -2.192 -2.220
72 HA ILE 9 HA ILE 9 -0.669 -1.290 -3.314
73 HB ILE 9 HB ILE 9 -3.310 0.190 -3.308
74 HG12 ILE 9 HG12 ILE 9 -3.695 -2.072 -4.110
75 HG13 ILE 9 HG11 ILE 9 -3.674 -0.984 -5.496
76 HG21 ILE 9 HG21 ILE 9 -0.950 0.220 -5.212
77 HG22 ILE 9 HG22 ILE 9 -1.367 1.505 -4.079
78 HG23 ILE 9 HG23 ILE 9 -2.444 1.129 -5.425
79 HD11 ILE 9 HD11 ILE 9 -2.311 -2.735 -6.237
80 HD12 ILE 9 HD12 ILE 9 -1.613 -2.999 -4.639
81 HD13 ILE 9 HD13 ILE 9 -1.113 -1.610 -5.598
82 H VAL 10 HN VAL 10 -2.809 0.042 -0.842
83 HA VAL 10 HA VAL 10 -1.437 2.449 -0.377
84 HB VAL 10 HB VAL 10 -3.003 0.742 1.575
85 HG11 VAL 10 HG11 VAL 10 -1.646 2.309 2.817
86 HG12 VAL 10 HG12 VAL 10 -3.286 2.957 2.762
87 HG13 VAL 10 HG13 VAL 10 -2.043 3.613 1.698
88 HG21 VAL 10 HG21 VAL 10 -4.255 1.475 -0.447
89 HG22 VAL 10 HG22 VAL 10 -3.816 3.145 -0.093
90 HG23 VAL 10 HG23 VAL 10 -4.857 2.252 1.017
91 H HIS 11 HN HIS 11 -1.024 -0.768 1.077
92 HA HIS 11 HA HIS 11 1.011 -0.027 2.918
93 HB2 HIS 11 HB2 HIS 11 -0.264 -2.113 3.143
94 HB3 HIS 11 HB1 HIS 11 0.451 -2.719 1.649
95 HD2 HIS 11 HD2 HIS 11 2.771 -4.140 2.098
96 HE1 HIS 11 HE1 HIS 11 3.744 -2.533 5.880
97 HE2 HIS 11 HE2 HIS 11 4.428 -4.226 4.114
98 H VAL 12 HN VAL 12 1.101 -1.361 -0.350
99 HA VAL 12 HA VAL 12 3.894 -1.656 -0.581
100 HB VAL 12 HB VAL 12 1.795 -1.107 -2.692
101 HG11 VAL 12 HG11 VAL 12 3.835 -0.387 -3.684
102 HG12 VAL 12 HG12 VAL 12 3.626 -2.050 -4.236
103 HG13 VAL 12 HG13 VAL 12 4.751 -1.689 -2.926
104 HG21 VAL 12 HG21 VAL 12 1.846 -3.291 -1.287
105 HG22 VAL 12 HG22 VAL 12 3.318 -3.669 -2.172
106 HG23 VAL 12 HG23 VAL 12 1.798 -3.451 -3.041
107 H GLY 13 HN GLY 13 1.777 1.086 -1.387
108 HA2 GLY 13 HA2 GLY 13 3.886 2.778 -2.315
109 HA3 GLY 13 HA1 GLY 13 2.255 3.292 -1.889
110 H LYS 14 HN LYS 14 2.390 2.161 0.785
111 HA LYS 14 HA LYS 14 3.337 4.409 2.192
112 HB2 LYS 14 HB2 LYS 14 1.622 2.751 3.034
113 HB3 LYS 14 HB1 LYS 14 2.949 1.637 3.344
114 HG2 LYS 14 HG2 LYS 14 2.720 2.665 5.428
115 HG3 LYS 14 HG1 LYS 14 3.975 3.656 4.694
116 HD2 LYS 14 HD2 LYS 14 2.321 5.337 4.044
117 HD3 LYS 14 HD1 LYS 14 1.016 4.325 4.654
118 HE2 LYS 14 HE2 LYS 14 1.947 4.479 6.927
119 HE3 LYS 14 HE1 LYS 14 3.278 5.466 6.322
120 HZ1 LYS 14 HZ1 LYS 14 1.936 7.253 6.000
121 HZ2 LYS 14 HZ2 LYS 14 1.107 6.540 7.300
122 HZ3 LYS 14 HZ3 LYS 14 0.549 6.320 5.711
123 H THR 15 HN THR 15 4.771 1.191 1.717
124 HA THR 15 HA THR 15 7.108 1.701 3.259
125 HB THR 15 HB THR 15 6.637 -0.304 1.040
126 HG1 THR 15 HG1 THR 15 5.607 -0.117 3.419
127 HG21 THR 15 HG21 THR 15 8.994 -0.091 1.322
128 HG22 THR 15 HG22 THR 15 8.530 -1.496 2.282
129 HG23 THR 15 HG23 THR 15 8.844 0.050 3.073
130 H ILE 16 HN ILE 16 6.373 1.894 -0.187
131 HA ILE 16 HA ILE 16 8.980 2.592 -1.052
132 HB ILE 16 HB ILE 16 6.265 3.124 -2.281
133 HG12 ILE 16 HG12 ILE 16 8.441 1.160 -3.060
134 HG13 ILE 16 HG11 ILE 16 7.092 0.738 -2.007
135 HG21 ILE 16 HG21 ILE 16 7.711 4.773 -3.225
136 HG22 ILE 16 HG22 ILE 16 7.683 3.452 -4.395
137 HG23 ILE 16 HG23 ILE 16 9.063 3.645 -3.313
138 HD11 ILE 16 HD11 ILE 16 6.985 1.605 -4.902
139 HD12 ILE 16 HD12 ILE 16 5.555 1.581 -3.873
140 HD13 ILE 16 HD13 ILE 16 6.425 0.085 -4.208
141 H HIS 17 HN HIS 17 6.168 4.557 -0.141
142 HA HIS 17 HA HIS 17 7.212 7.078 -0.737
143 HB2 HIS 17 HB2 HIS 17 4.841 6.614 -0.113
144 HB3 HIS 17 HB1 HIS 17 5.362 6.394 1.558
145 HD2 HIS 17 HD2 HIS 17 4.740 9.299 -0.979
146 HE1 HIS 17 HE1 HIS 17 6.011 11.026 2.658
147 HE2 HIS 17 HE2 HIS 17 5.067 11.521 0.353
148 H ARG 18 HN ARG 18 7.639 5.009 2.069
149 HA ARG 18 HA ARG 18 8.944 6.953 3.697
150 HB2 ARG 18 HB2 ARG 18 7.863 4.832 4.548
151 HB3 ARG 18 HB1 ARG 18 9.227 3.946 3.874
152 HG2 ARG 18 HG2 ARG 18 9.960 4.265 6.064
153 HG3 ARG 18 HG1 ARG 18 10.671 5.669 5.276
154 HD2 ARG 18 HD2 ARG 18 8.745 7.045 5.989
155 HD3 ARG 18 HD1 ARG 18 8.029 5.640 6.767
156 HE ARG 18 HE ARG 18 10.504 5.833 7.917
157 HH11 ARG 18 HH21 ARG 18 7.850 7.989 7.380
158 HH12 ARG 18 HH22 ARG 18 8.146 8.930 8.804
159 HH21 ARG 18 HH11 ARG 18 10.898 7.063 9.788
160 HH22 ARG 18 HH12 ARG 18 9.871 8.406 10.166
161 H LEU 19 HN LEU 19 10.094 4.495 1.410
162 HA LEU 19 HA LEU 19 12.845 4.688 1.976
163 HB2 LEU 19 HB2 LEU 19 11.918 2.877 0.627
164 HB3 LEU 19 HB1 LEU 19 11.457 4.019 -0.631
165 HG LEU 19 HG LEU 19 13.832 4.587 -1.001
166 HD11 LEU 19 HD11 LEU 19 15.478 2.887 0.173
167 HD12 LEU 19 HD12 LEU 19 14.197 2.779 1.379
168 HD13 LEU 19 HD13 LEU 19 14.951 4.332 1.032
169 HD21 LEU 19 HD21 LEU 19 13.417 1.581 -0.984
170 HD22 LEU 19 HD22 LEU 19 14.512 2.497 -2.018
171 HD23 LEU 19 HD23 LEU 19 12.769 2.670 -2.213
172 H VAL 20 HN VAL 20 10.904 6.421 -0.464
173 HA VAL 20 HA VAL 20 13.043 7.912 -1.555
174 HB VAL 20 HB VAL 20 11.219 9.443 -2.383
175 HG11 VAL 20 HG11 VAL 20 10.975 6.444 -2.738
176 HG12 VAL 20 HG12 VAL 20 11.868 7.573 -3.758
177 HG13 VAL 20 HG13 VAL 20 10.105 7.612 -3.733
178 HG21 VAL 20 HG21 VAL 20 8.893 8.672 -1.975
179 HG22 VAL 20 HG22 VAL 20 9.685 9.176 -0.484
180 HG23 VAL 20 HG23 VAL 20 9.514 7.461 -0.856
181 H THR 21 HN THR 21 10.835 8.579 1.127
182 HA THR 21 HA THR 21 11.747 11.257 1.552
183 HB THR 21 HB THR 21 10.629 10.860 3.857
184 HG1 THR 21 HG1 THR 21 9.158 8.984 3.594
185 HG21 THR 21 HG21 THR 21 8.945 10.387 1.379
186 HG22 THR 21 HG22 THR 21 9.555 11.968 1.869
187 HG23 THR 21 HG23 THR 21 8.417 11.104 2.902
188 H GLY 22 HN GLY 22 13.552 8.672 1.635
189 HA2 GLY 22 HA2 GLY 22 15.638 8.267 2.559
190 HA3 GLY 22 HA1 GLY 22 15.485 9.785 3.438
191 HN1 NH2 23 HT1 GLY 22 13.124 7.320 5.549
192 HN2 NH2 23 HT2 GLY 22 12.674 8.122 4.082
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 -11.185 -9.982 -3.868
2 H2 PHE 1 HT2 PHE 1 -10.740 -10.539 -2.326
3 H3 PHE 1 HT3 PHE 1 -10.592 -11.560 -3.676
4 HA PHE 1 HA PHE 1 -8.487 -10.460 -2.778
5 HB2 PHE 1 HB2 PHE 1 -9.297 -10.264 -5.697
6 HB3 PHE 1 HB1 PHE 1 -7.633 -10.207 -5.103
7 HD1 PHE 1 HD1 PHE 1 -6.644 -12.181 -3.947
8 HD2 PHE 1 HD2 PHE 1 -10.519 -12.335 -5.793
9 HE1 PHE 1 HE1 PHE 1 -6.594 -14.659 -3.844
10 HE2 PHE 1 HE2 PHE 1 -10.469 -14.812 -5.689
11 HZ PHE 1 HZ PHE 1 -8.506 -15.974 -4.715
12 H PHE 2 HN PHE 2 -10.885 -8.483 -4.485
13 HA PHE 2 HA PHE 2 -9.556 -6.141 -4.835
14 HB2 PHE 2 HB2 PHE 2 -11.896 -6.592 -5.513
15 HB3 PHE 2 HB1 PHE 2 -12.399 -6.385 -3.835
16 HD1 PHE 2 HD2 PHE 2 -10.536 -4.651 -6.579
17 HD2 PHE 2 HD1 PHE 2 -12.931 -4.229 -3.040
18 HE1 PHE 2 HE2 PHE 2 -10.625 -2.198 -6.933
19 HE2 PHE 2 HE1 PHE 2 -13.021 -1.775 -3.394
20 HZ PHE 2 HZ PHE 2 -11.868 -0.760 -5.341
21 H HIS 3 HN HIS 3 -11.032 -7.234 -1.752
22 HA HIS 3 HA HIS 3 -10.720 -4.871 -0.316
23 HB2 HIS 3 HB2 HIS 3 -11.956 -6.811 0.522
24 HB3 HIS 3 HB1 HIS 3 -10.457 -7.729 0.642
25 HD2 HIS 3 HD2 HIS 3 -12.497 -5.232 2.752
26 HE1 HIS 3 HE1 HIS 3 -8.733 -5.617 4.624
27 HE2 HIS 3 HE2 HIS 3 -11.089 -4.707 4.887
28 H HIS 4 HN HIS 4 -8.457 -7.648 -0.418
29 HA HIS 4 HA HIS 4 -6.412 -6.266 1.023
30 HB2 HIS 4 HB2 HIS 4 -6.381 -8.790 -0.634
31 HB3 HIS 4 HB1 HIS 4 -4.984 -8.195 0.264
32 HD2 HIS 4 HD2 HIS 4 -8.263 -10.141 0.927
33 HE1 HIS 4 HE1 HIS 4 -6.567 -9.267 4.694
34 HE2 HIS 4 HE2 HIS 4 -8.369 -10.597 3.496
35 H ILE 5 HN ILE 5 -6.904 -7.009 -2.406
36 HA ILE 5 HA ILE 5 -4.456 -5.961 -3.343
37 HB ILE 5 HB ILE 5 -7.131 -6.307 -4.712
38 HG12 ILE 5 HG12 ILE 5 -6.081 -8.405 -3.955
39 HG13 ILE 5 HG11 ILE 5 -6.051 -8.297 -5.710
40 HG21 ILE 5 HG21 ILE 5 -5.958 -4.663 -6.001
41 HG22 ILE 5 HG22 ILE 5 -5.726 -6.201 -6.829
42 HG23 ILE 5 HG23 ILE 5 -4.431 -5.532 -5.836
43 HD11 ILE 5 HD11 ILE 5 -3.790 -8.158 -3.755
44 HD12 ILE 5 HD12 ILE 5 -3.643 -7.211 -5.231
45 HD13 ILE 5 HD13 ILE 5 -3.864 -8.954 -5.323
46 H PHE 6 HN PHE 6 -7.654 -4.440 -2.972
47 HA PHE 6 HA PHE 6 -6.951 -1.955 -4.154
48 HB2 PHE 6 HB2 PHE 6 -9.284 -2.677 -3.787
49 HB3 PHE 6 HB1 PHE 6 -9.040 -2.553 -2.046
50 HD1 PHE 6 HD1 PHE 6 -8.846 -0.569 -5.210
51 HD2 PHE 6 HD2 PHE 6 -9.349 -0.486 -0.945
52 HE1 PHE 6 HE1 PHE 6 -9.382 1.850 -5.319
53 HE2 PHE 6 HE2 PHE 6 -9.884 1.933 -1.055
54 HZ PHE 6 HZ PHE 6 -9.901 3.101 -3.243
55 H ARG 7 HN ARG 7 -7.061 -3.054 -0.796
56 HA ARG 7 HA ARG 7 -6.064 -0.613 0.313
57 HB2 ARG 7 HB2 ARG 7 -6.350 -3.398 1.439
58 HB3 ARG 7 HB1 ARG 7 -5.709 -2.048 2.378
59 HG2 ARG 7 HG2 ARG 7 -7.777 -0.768 1.957
60 HG3 ARG 7 HG1 ARG 7 -8.421 -2.116 1.019
61 HD2 ARG 7 HD2 ARG 7 -8.306 -3.564 3.004
62 HD3 ARG 7 HD1 ARG 7 -7.640 -2.235 3.946
63 HE ARG 7 HE ARG 7 -10.074 -1.391 2.806
64 HH11 ARG 7 HH21 ARG 7 -8.811 -3.614 5.137
65 HH12 ARG 7 HH22 ARG 7 -10.240 -3.613 6.115
66 HH21 ARG 7 HH11 ARG 7 -11.954 -1.391 4.080
67 HH22 ARG 7 HH12 ARG 7 -12.020 -2.355 5.518
68 H GLY 8 HN GLY 8 -4.585 -3.598 -0.784
69 HA2 GLY 8 HA2 GLY 8 -2.085 -3.512 0.364
70 HA3 GLY 8 HA1 GLY 8 -2.402 -4.125 -1.253
71 H ILE 9 HN ILE 9 -3.328 -1.510 -2.248
72 HA ILE 9 HA ILE 9 -0.896 -0.535 -3.269
73 HB ILE 9 HB ILE 9 -3.234 -0.152 -4.209
74 HG12 ILE 9 HG12 ILE 9 -1.548 2.351 -3.898
75 HG13 ILE 9 HG11 ILE 9 -1.129 1.025 -4.983
76 HG21 ILE 9 HG21 ILE 9 -4.588 1.589 -3.357
77 HG22 ILE 9 HG22 ILE 9 -3.273 2.263 -2.393
78 HG23 ILE 9 HG23 ILE 9 -4.032 0.752 -1.910
79 HD11 ILE 9 HD11 ILE 9 -2.345 2.763 -6.217
80 HD12 ILE 9 HD12 ILE 9 -3.685 2.655 -5.074
81 HD13 ILE 9 HD13 ILE 9 -3.313 1.291 -6.128
82 H VAL 10 HN VAL 10 -2.877 0.566 -0.563
83 HA VAL 10 HA VAL 10 -1.395 2.870 0.097
84 HB VAL 10 HB VAL 10 -3.059 1.044 1.847
85 HG11 VAL 10 HG11 VAL 10 -1.635 2.263 3.327
86 HG12 VAL 10 HG12 VAL 10 -3.159 3.152 3.299
87 HG13 VAL 10 HG13 VAL 10 -1.779 3.736 2.366
88 HG21 VAL 10 HG21 VAL 10 -4.160 2.241 -0.101
89 HG22 VAL 10 HG22 VAL 10 -3.704 3.761 0.668
90 HG23 VAL 10 HG23 VAL 10 -4.812 2.657 1.483
91 H HIS 11 HN HIS 11 -1.142 -0.477 1.300
92 HA HIS 11 HA HIS 11 1.012 0.043 3.087
93 HB2 HIS 11 HB2 HIS 11 -0.004 -2.489 1.788
94 HB3 HIS 11 HB1 HIS 11 1.338 -2.475 2.933
95 HD2 HIS 11 HD2 HIS 11 0.601 -1.952 5.628
96 HE1 HIS 11 HE1 HIS 11 -3.564 -1.866 4.940
97 HE2 HIS 11 HE2 HIS 11 -1.765 -1.893 6.733
98 H VAL 12 HN VAL 12 0.854 -1.149 -0.236
99 HA VAL 12 HA VAL 12 3.606 -1.654 -0.592
100 HB VAL 12 HB VAL 12 1.452 -0.897 -2.579
101 HG11 VAL 12 HG11 VAL 12 3.132 -1.926 -4.235
102 HG12 VAL 12 HG12 VAL 12 4.345 -1.678 -2.979
103 HG13 VAL 12 HG13 VAL 12 3.485 -0.297 -3.659
104 HG21 VAL 12 HG21 VAL 12 1.260 -3.224 -2.976
105 HG22 VAL 12 HG22 VAL 12 1.421 -3.118 -1.223
106 HG23 VAL 12 HG23 VAL 12 2.809 -3.574 -2.208
107 H GLY 13 HN GLY 13 1.671 1.257 -1.256
108 HA2 GLY 13 HA2 GLY 13 3.847 2.821 -2.239
109 HA3 GLY 13 HA1 GLY 13 2.288 3.436 -1.697
110 H LYS 14 HN LYS 14 2.554 2.145 0.919
111 HA LYS 14 HA LYS 14 3.654 4.282 2.380
112 HB2 LYS 14 HB2 LYS 14 1.974 2.683 3.272
113 HB3 LYS 14 HB1 LYS 14 3.226 1.445 3.340
114 HG2 LYS 14 HG2 LYS 14 4.541 2.819 4.888
115 HG3 LYS 14 HG1 LYS 14 3.346 4.111 4.787
116 HD2 LYS 14 HD2 LYS 14 2.447 1.353 5.611
117 HD3 LYS 14 HD1 LYS 14 3.266 2.375 6.792
118 HE2 LYS 14 HE2 LYS 14 0.780 3.138 5.225
119 HE3 LYS 14 HE1 LYS 14 0.826 2.678 6.926
120 HZ1 LYS 14 HZ1 LYS 14 2.547 4.571 7.094
121 HZ2 LYS 14 HZ2 LYS 14 0.895 4.963 7.020
122 HZ3 LYS 14 HZ3 LYS 14 1.868 5.109 5.637
123 H THR 15 HN THR 15 5.020 1.077 1.620
124 HA THR 15 HA THR 15 7.433 1.432 3.072
125 HB THR 15 HB THR 15 6.816 -0.329 0.690
126 HG1 THR 15 HG1 THR 15 5.647 -1.177 2.231
127 HG21 THR 15 HG21 THR 15 9.187 -0.154 0.822
128 HG22 THR 15 HG22 THR 15 8.777 -1.649 1.663
129 HG23 THR 15 HG23 THR 15 9.165 -0.197 2.585
130 H ILE 16 HN ILE 16 6.613 1.902 -0.337
131 HA ILE 16 HA ILE 16 9.207 2.741 -1.167
132 HB ILE 16 HB ILE 16 6.545 3.480 -2.406
133 HG12 ILE 16 HG12 ILE 16 6.702 1.056 -2.189
134 HG13 ILE 16 HG11 ILE 16 6.966 1.496 -3.871
135 HG21 ILE 16 HG21 ILE 16 8.364 4.826 -3.278
136 HG22 ILE 16 HG22 ILE 16 7.945 3.609 -4.485
137 HG23 ILE 16 HG23 ILE 16 9.377 3.396 -3.479
138 HD11 ILE 16 HD11 ILE 16 9.508 1.497 -3.194
139 HD12 ILE 16 HD12 ILE 16 8.695 -0.037 -3.486
140 HD13 ILE 16 HD13 ILE 16 8.955 0.521 -1.835
141 H HIS 17 HN HIS 17 6.296 4.568 -0.274
142 HA HIS 17 HA HIS 17 7.274 7.144 -0.626
143 HB2 HIS 17 HB2 HIS 17 5.335 6.098 1.449
144 HB3 HIS 17 HB1 HIS 17 5.610 7.810 1.125
145 HD2 HIS 17 HD2 HIS 17 5.803 6.389 -2.279
146 HE1 HIS 17 HE1 HIS 17 1.653 6.857 -1.665
147 HE2 HIS 17 HE2 HIS 17 3.451 6.444 -3.411
148 H ARG 18 HN ARG 18 7.599 5.000 2.187
149 HA ARG 18 HA ARG 18 8.922 6.922 3.820
150 HB2 ARG 18 HB2 ARG 18 7.777 4.920 4.724
151 HB3 ARG 18 HB1 ARG 18 9.008 3.899 3.981
152 HG2 ARG 18 HG2 ARG 18 10.755 5.005 5.315
153 HG3 ARG 18 HG1 ARG 18 9.544 6.063 6.040
154 HD2 ARG 18 HD2 ARG 18 9.994 4.235 7.573
155 HD3 ARG 18 HD1 ARG 18 8.373 4.036 6.916
156 HE ARG 18 HE ARG 18 9.110 2.139 5.751
157 HH11 ARG 18 HH21 ARG 18 11.724 3.875 7.210
158 HH12 ARG 18 HH22 ARG 18 12.885 2.616 6.951
159 HH21 ARG 18 HH11 ARG 18 10.626 0.484 5.410
160 HH22 ARG 18 HH12 ARG 18 12.264 0.697 5.933
161 H LEU 19 HN LEU 19 10.061 4.334 1.664
162 HA LEU 19 HA LEU 19 12.804 4.553 2.285
163 HB2 LEU 19 HB2 LEU 19 11.888 2.603 1.147
164 HB3 LEU 19 HB1 LEU 19 11.432 3.593 -0.236
165 HG LEU 19 HG LEU 19 13.793 4.085 -0.700
166 HD11 LEU 19 HD11 LEU 19 14.199 2.590 1.891
167 HD12 LEU 19 HD12 LEU 19 14.893 4.129 1.380
168 HD13 LEU 19 HD13 LEU 19 15.478 2.626 0.676
169 HD21 LEU 19 HD21 LEU 19 13.494 1.111 -0.216
170 HD22 LEU 19 HD22 LEU 19 14.427 1.911 -1.484
171 HD23 LEU 19 HD23 LEU 19 12.663 1.957 -1.522
172 H VAL 20 HN VAL 20 10.919 5.991 -0.399
173 HA VAL 20 HA VAL 20 13.125 7.348 -1.551
174 HB VAL 20 HB VAL 20 11.014 6.903 -2.765
175 HG11 VAL 20 HG11 VAL 20 9.589 7.524 -0.734
176 HG12 VAL 20 HG12 VAL 20 9.015 8.099 -2.294
177 HG13 VAL 20 HG13 VAL 20 9.843 9.204 -1.196
178 HG21 VAL 20 HG21 VAL 20 10.902 9.079 -3.897
179 HG22 VAL 20 HG22 VAL 20 12.577 8.687 -3.509
180 HG23 VAL 20 HG23 VAL 20 11.692 9.853 -2.525
181 H THR 21 HN THR 21 10.681 8.349 0.816
182 HA THR 21 HA THR 21 11.442 11.058 0.995
183 HB THR 21 HB THR 21 10.410 10.847 3.346
184 HG1 THR 21 HG1 THR 21 10.750 8.657 3.642
185 HG21 THR 21 HG21 THR 21 9.028 11.684 1.612
186 HG22 THR 21 HG22 THR 21 8.109 10.351 2.311
187 HG23 THR 21 HG23 THR 21 8.974 10.123 0.790
188 H GLY 22 HN GLY 22 13.585 11.492 1.214
189 HA2 GLY 22 HA2 GLY 22 15.542 10.099 2.547
190 HA3 GLY 22 HA1 GLY 22 15.554 11.850 2.366
191 HN1 NH2 23 HT1 GLY 22 13.261 11.324 5.617
192 HN2 NH2 23 HT2 GLY 22 12.725 11.156 3.979
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 -11.737 -10.870 -2.755
2 H2 PHE 1 HT2 PHE 1 -12.166 -9.530 -3.708
3 H3 PHE 1 HT3 PHE 1 -11.788 -9.321 -2.065
4 HA PHE 1 HA PHE 1 -9.506 -10.114 -2.530
5 HB2 PHE 1 HB2 PHE 1 -10.514 -9.874 -5.385
6 HB3 PHE 1 HB1 PHE 1 -8.826 -10.102 -4.927
7 HD1 PHE 1 HD1 PHE 1 -8.158 -12.181 -3.650
8 HD2 PHE 1 HD2 PHE 1 -12.038 -11.705 -5.432
9 HE1 PHE 1 HE1 PHE 1 -8.528 -14.629 -3.500
10 HE2 PHE 1 HE2 PHE 1 -12.407 -14.152 -5.282
11 HZ PHE 1 HZ PHE 1 -10.653 -15.614 -4.315
12 H PHE 2 HN PHE 2 -11.523 -7.796 -4.364
13 HA PHE 2 HA PHE 2 -9.786 -5.757 -4.775
14 HB2 PHE 2 HB2 PHE 2 -12.195 -5.785 -5.423
15 HB3 PHE 2 HB1 PHE 2 -12.608 -5.407 -3.750
16 HD1 PHE 2 HD1 PHE 2 -10.547 -4.184 -6.625
17 HD2 PHE 2 HD2 PHE 2 -12.637 -3.168 -3.012
18 HE1 PHE 2 HE1 PHE 2 -10.153 -1.776 -7.074
19 HE2 PHE 2 HE2 PHE 2 -12.243 -0.762 -3.461
20 HZ PHE 2 HZ PHE 2 -11.001 -0.066 -5.492
21 H HIS 3 HN HIS 3 -11.397 -6.526 -1.675
22 HA HIS 3 HA HIS 3 -10.691 -4.222 -0.255
23 HB2 HIS 3 HB2 HIS 3 -12.255 -5.946 0.558
24 HB3 HIS 3 HB1 HIS 3 -10.909 -7.069 0.745
25 HD2 HIS 3 HD2 HIS 3 -12.303 -3.816 2.478
26 HE1 HIS 3 HE1 HIS 3 -9.220 -5.392 4.893
27 HE2 HIS 3 HE2 HIS 3 -11.043 -3.631 4.757
28 H HIS 4 HN HIS 4 -8.973 -7.366 -0.349
29 HA HIS 4 HA HIS 4 -6.700 -6.376 1.072
30 HB2 HIS 4 HB2 HIS 4 -7.336 -8.760 1.073
31 HB3 HIS 4 HB1 HIS 4 -6.961 -8.851 -0.648
32 HD2 HIS 4 HD2 HIS 4 -5.033 -8.451 2.773
33 HE1 HIS 4 HE1 HIS 4 -2.211 -9.222 -0.273
34 HE2 HIS 4 HE2 HIS 4 -2.527 -8.950 2.233
35 H ILE 5 HN ILE 5 -7.387 -6.983 -2.344
36 HA ILE 5 HA ILE 5 -4.802 -6.403 -3.317
37 HB ILE 5 HB ILE 5 -7.515 -6.253 -4.643
38 HG12 ILE 5 HG12 ILE 5 -6.391 -8.494 -3.804
39 HG13 ILE 5 HG11 ILE 5 -7.108 -8.436 -5.410
40 HG21 ILE 5 HG21 ILE 5 -4.741 -5.797 -5.737
41 HG22 ILE 5 HG22 ILE 5 -6.189 -4.817 -5.981
42 HG23 ILE 5 HG23 ILE 5 -6.038 -6.386 -6.773
43 HD11 ILE 5 HD11 ILE 5 -5.022 -8.341 -6.482
44 HD12 ILE 5 HD12 ILE 5 -4.699 -9.436 -5.141
45 HD13 ILE 5 HD13 ILE 5 -4.196 -7.752 -5.048
46 H PHE 6 HN PHE 6 -7.664 -4.346 -2.864
47 HA PHE 6 HA PHE 6 -6.496 -2.003 -4.000
48 HB2 PHE 6 HB2 PHE 6 -8.943 -2.342 -3.733
49 HB3 PHE 6 HB1 PHE 6 -8.745 -2.220 -1.985
50 HD1 PHE 6 HD1 PHE 6 -8.263 -0.381 -5.192
51 HD2 PHE 6 HD2 PHE 6 -8.548 -0.104 -0.914
52 HE1 PHE 6 HE1 PHE 6 -8.346 2.093 -5.358
53 HE2 PHE 6 HE2 PHE 6 -8.632 2.370 -1.080
54 HZ PHE 6 HZ PHE 6 -8.530 3.466 -3.303
55 H ARG 7 HN ARG 7 -6.891 -3.170 -0.669
56 HA ARG 7 HA ARG 7 -5.675 -0.939 0.578
57 HB2 ARG 7 HB2 ARG 7 -7.118 -2.725 1.687
58 HB3 ARG 7 HB1 ARG 7 -5.691 -3.758 1.663
59 HG2 ARG 7 HG2 ARG 7 -5.432 -2.778 3.763
60 HG3 ARG 7 HG1 ARG 7 -4.529 -1.629 2.781
61 HD2 ARG 7 HD2 ARG 7 -6.561 -0.214 2.596
62 HD3 ARG 7 HD1 ARG 7 -7.436 -1.353 3.608
63 HE ARG 7 HE ARG 7 -5.380 0.536 4.484
64 HH11 ARG 7 HH21 ARG 7 -7.384 -2.203 5.168
65 HH12 ARG 7 HH22 ARG 7 -7.257 -2.037 6.887
66 HH21 ARG 7 HH11 ARG 7 -5.210 0.756 6.738
67 HH22 ARG 7 HH12 ARG 7 -6.027 -0.364 7.775
68 H GLY 8 HN GLY 8 -4.395 -3.986 -0.665
69 HA2 GLY 8 HA2 GLY 8 -1.841 -3.980 0.407
70 HA3 GLY 8 HA1 GLY 8 -2.250 -4.627 -1.177
71 H ILE 9 HN ILE 9 -3.168 -2.070 -2.218
72 HA ILE 9 HA ILE 9 -0.743 -1.123 -3.322
73 HB ILE 9 HB ILE 9 -3.503 0.129 -3.229
74 HG12 ILE 9 HG12 ILE 9 -2.041 -1.217 -5.518
75 HG13 ILE 9 HG11 ILE 9 -3.136 -2.084 -4.439
76 HG21 ILE 9 HG21 ILE 9 -1.949 1.925 -3.618
77 HG22 ILE 9 HG22 ILE 9 -2.592 1.468 -5.194
78 HG23 ILE 9 HG23 ILE 9 -0.984 0.932 -4.710
79 HD11 ILE 9 HD11 ILE 9 -4.300 -1.314 -6.487
80 HD12 ILE 9 HD12 ILE 9 -3.879 0.352 -6.087
81 HD13 ILE 9 HD13 ILE 9 -4.966 -0.559 -5.038
82 H VAL 10 HN VAL 10 -2.826 0.127 -0.751
83 HA VAL 10 HA VAL 10 -1.471 2.529 -0.255
84 HB VAL 10 HB VAL 10 -3.013 0.735 1.636
85 HG11 VAL 10 HG11 VAL 10 -3.197 2.884 2.995
86 HG12 VAL 10 HG12 VAL 10 -1.894 3.526 1.995
87 HG13 VAL 10 HG13 VAL 10 -1.610 2.114 3.013
88 HG21 VAL 10 HG21 VAL 10 -4.827 2.305 1.235
89 HG22 VAL 10 HG22 VAL 10 -4.233 1.727 -0.323
90 HG23 VAL 10 HG23 VAL 10 -3.774 3.329 0.259
91 H HIS 11 HN HIS 11 -0.961 -0.717 1.116
92 HA HIS 11 HA HIS 11 1.117 0.032 2.901
93 HB2 HIS 11 HB2 HIS 11 0.358 -2.610 1.647
94 HB3 HIS 11 HB1 HIS 11 1.666 -2.446 2.819
95 HD2 HIS 11 HD2 HIS 11 0.803 -1.731 5.473
96 HE1 HIS 11 HE1 HIS 11 -3.301 -2.377 4.718
97 HE2 HIS 11 HE2 HIS 11 -1.573 -1.959 6.532
98 H VAL 12 HN VAL 12 1.130 -1.252 -0.394
99 HA VAL 12 HA VAL 12 3.921 -1.516 -0.692
100 HB VAL 12 HB VAL 12 1.768 -0.950 -2.744
101 HG11 VAL 12 HG11 VAL 12 3.810 -0.225 -3.752
102 HG12 VAL 12 HG12 VAL 12 3.550 -1.868 -4.341
103 HG13 VAL 12 HG13 VAL 12 4.714 -1.566 -3.051
104 HG21 VAL 12 HG21 VAL 12 1.838 -3.143 -1.353
105 HG22 VAL 12 HG22 VAL 12 3.290 -3.522 -2.277
106 HG23 VAL 12 HG23 VAL 12 1.752 -3.292 -3.107
107 H GLY 13 HN GLY 13 1.757 1.206 -1.473
108 HA2 GLY 13 HA2 GLY 13 3.810 2.935 -2.417
109 HA3 GLY 13 HA1 GLY 13 2.195 3.426 -1.914
110 H LYS 14 HN LYS 14 2.399 2.316 0.738
111 HA LYS 14 HA LYS 14 3.416 4.536 2.134
112 HB2 LYS 14 HB2 LYS 14 1.721 2.940 3.034
113 HB3 LYS 14 HB1 LYS 14 2.998 1.740 3.220
114 HG2 LYS 14 HG2 LYS 14 4.222 3.266 4.727
115 HG3 LYS 14 HG1 LYS 14 2.950 4.471 4.538
116 HD2 LYS 14 HD2 LYS 14 1.310 2.887 5.493
117 HD3 LYS 14 HD1 LYS 14 2.591 1.692 5.695
118 HE2 LYS 14 HE2 LYS 14 2.264 2.833 7.815
119 HE3 LYS 14 HE1 LYS 14 3.816 3.334 7.142
120 HZ1 LYS 14 HZ1 LYS 14 1.745 4.972 7.903
121 HZ2 LYS 14 HZ2 LYS 14 1.706 4.988 6.205
122 HZ3 LYS 14 HZ3 LYS 14 3.128 5.424 7.030
123 H THR 15 HN THR 15 4.805 1.298 1.610
124 HA THR 15 HA THR 15 7.175 1.747 3.106
125 HB THR 15 HB THR 15 6.912 -0.146 0.769
126 HG1 THR 15 HG1 THR 15 6.353 -1.477 2.860
127 HG21 THR 15 HG21 THR 15 9.142 0.073 1.765
128 HG22 THR 15 HG22 THR 15 8.452 -1.500 2.163
129 HG23 THR 15 HG23 THR 15 8.467 -0.214 3.369
130 H ILE 16 HN ILE 16 6.391 2.062 -0.318
131 HA ILE 16 HA ILE 16 8.997 2.711 -1.213
132 HB ILE 16 HB ILE 16 6.278 3.395 -2.358
133 HG12 ILE 16 HG12 ILE 16 7.260 0.938 -2.157
134 HG13 ILE 16 HG11 ILE 16 6.488 1.452 -3.651
135 HG21 ILE 16 HG21 ILE 16 7.710 3.715 -4.497
136 HG22 ILE 16 HG22 ILE 16 9.067 3.911 -3.390
137 HG23 ILE 16 HG23 ILE 16 7.703 5.028 -3.316
138 HD11 ILE 16 HD11 ILE 16 9.460 1.808 -3.270
139 HD12 ILE 16 HD12 ILE 16 8.546 1.721 -4.769
140 HD13 ILE 16 HD13 ILE 16 8.804 0.263 -3.812
141 H HIS 17 HN HIS 17 6.267 4.768 -0.237
142 HA HIS 17 HA HIS 17 7.454 7.259 -0.702
143 HB2 HIS 17 HB2 HIS 17 5.416 6.371 1.346
144 HB3 HIS 17 HB1 HIS 17 5.892 8.057 1.142
145 HD2 HIS 17 HD2 HIS 17 2.871 6.605 0.152
146 HE1 HIS 17 HE1 HIS 17 4.220 7.972 -3.609
147 HE2 HIS 17 HE2 HIS 17 2.195 7.161 -2.309
148 H ARG 18 HN ARG 18 7.541 5.196 2.184
149 HA ARG 18 HA ARG 18 9.056 6.967 3.797
150 HB2 ARG 18 HB2 ARG 18 8.681 3.970 3.872
151 HB3 ARG 18 HB1 ARG 18 9.616 4.850 5.083
152 HG2 ARG 18 HG2 ARG 18 7.666 6.213 5.646
153 HG3 ARG 18 HG1 ARG 18 6.722 5.426 4.379
154 HD2 ARG 18 HD2 ARG 18 6.194 4.411 6.537
155 HD3 ARG 18 HD1 ARG 18 7.042 3.246 5.526
156 HE ARG 18 HE ARG 18 8.899 3.392 6.962
157 HH11 ARG 18 HH21 ARG 18 6.455 5.723 7.722
158 HH12 ARG 18 HH22 ARG 18 7.143 6.147 9.254
159 HH21 ARG 18 HH11 ARG 18 9.806 3.946 8.969
160 HH22 ARG 18 HH12 ARG 18 9.040 5.142 9.958
161 H LEU 19 HN LEU 19 9.968 4.376 1.563
162 HA LEU 19 HA LEU 19 12.727 4.358 2.145
163 HB2 LEU 19 HB2 LEU 19 11.708 2.554 0.862
164 HB3 LEU 19 HB1 LEU 19 11.268 3.674 -0.424
165 HG LEU 19 HG LEU 19 13.649 4.112 -0.886
166 HD11 LEU 19 HD11 LEU 19 14.779 3.913 1.165
167 HD12 LEU 19 HD12 LEU 19 15.281 2.450 0.323
168 HD13 LEU 19 HD13 LEU 19 14.016 2.373 1.551
169 HD21 LEU 19 HD21 LEU 19 12.568 2.219 -2.037
170 HD22 LEU 19 HD22 LEU 19 13.014 1.148 -0.708
171 HD23 LEU 19 HD23 LEU 19 14.267 1.871 -1.717
172 H VAL 20 HN VAL 20 10.824 6.203 -0.222
173 HA VAL 20 HA VAL 20 12.995 7.499 -1.474
174 HB VAL 20 HB VAL 20 10.111 8.357 -1.134
175 HG11 VAL 20 HG11 VAL 20 12.391 9.495 -2.761
176 HG12 VAL 20 HG12 VAL 20 11.312 10.344 -1.655
177 HG13 VAL 20 HG13 VAL 20 10.706 9.763 -3.205
178 HG21 VAL 20 HG21 VAL 20 11.484 7.242 -3.587
179 HG22 VAL 20 HG22 VAL 20 9.754 7.376 -3.271
180 HG23 VAL 20 HG23 VAL 20 10.723 6.191 -2.392
181 H THR 21 HN THR 21 10.948 8.441 1.273
182 HA THR 21 HA THR 21 12.225 10.966 1.675
183 HB THR 21 HB THR 21 11.054 10.869 3.905
184 HG1 THR 21 HG1 THR 21 11.000 8.298 3.273
185 HG21 THR 21 HG21 THR 21 10.014 11.762 1.804
186 HG22 THR 21 HG22 THR 21 8.841 11.102 2.943
187 HG23 THR 21 HG23 THR 21 9.317 10.168 1.525
188 H GLY 22 HN GLY 22 13.590 8.079 1.836
189 HA2 GLY 22 HA2 GLY 22 15.628 7.425 2.730
190 HA3 GLY 22 HA1 GLY 22 15.683 8.946 3.616
191 HN1 NH2 23 HT1 GLY 22 13.002 6.814 5.709
192 HN2 NH2 23 HT2 GLY 22 12.670 7.677 4.245
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 -11.869 -11.024 -2.222
2 H2 PHE 1 HT2 PHE 1 -12.235 -10.267 -3.698
3 H3 PHE 1 HT3 PHE 1 -12.023 -9.337 -2.292
4 HA PHE 1 HA PHE 1 -9.685 -10.545 -2.323
5 HB2 PHE 1 HB2 PHE 1 -10.527 -10.282 -5.228
6 HB3 PHE 1 HB1 PHE 1 -8.901 -10.679 -4.663
7 HD1 PHE 1 HD2 PHE 1 -8.522 -12.777 -3.330
8 HD2 PHE 1 HD1 PHE 1 -12.255 -11.942 -5.284
9 HE1 PHE 1 HE2 PHE 1 -9.177 -15.158 -3.096
10 HE2 PHE 1 HE1 PHE 1 -12.910 -14.322 -5.050
11 HZ PHE 1 HZ PHE 1 -11.372 -15.929 -3.956
12 H PHE 2 HN PHE 2 -11.580 -8.129 -4.108
13 HA PHE 2 HA PHE 2 -9.701 -6.215 -4.589
14 HB2 PHE 2 HB2 PHE 2 -12.569 -5.825 -3.729
15 HB3 PHE 2 HB1 PHE 2 -11.566 -4.583 -4.475
16 HD1 PHE 2 HD1 PHE 2 -10.636 -4.970 -6.794
17 HD2 PHE 2 HD2 PHE 2 -13.609 -7.524 -5.037
18 HE1 PHE 2 HE1 PHE 2 -11.200 -5.858 -9.040
19 HE2 PHE 2 HE2 PHE 2 -14.173 -8.411 -7.282
20 HZ PHE 2 HZ PHE 2 -12.969 -7.579 -9.283
21 H HIS 3 HN HIS 3 -11.286 -6.843 -1.458
22 HA HIS 3 HA HIS 3 -10.598 -4.460 -0.180
23 HB2 HIS 3 HB2 HIS 3 -10.842 -7.272 0.905
24 HB3 HIS 3 HB1 HIS 3 -10.643 -5.847 1.923
25 HD2 HIS 3 HD2 HIS 3 -13.379 -7.449 -0.412
26 HE1 HIS 3 HE1 HIS 3 -15.129 -4.211 1.655
27 HE2 HIS 3 HE2 HIS 3 -15.596 -6.171 0.110
28 H HIS 4 HN HIS 4 -8.766 -7.533 -0.206
29 HA HIS 4 HA HIS 4 -6.506 -6.412 1.136
30 HB2 HIS 4 HB2 HIS 4 -6.996 -8.811 1.230
31 HB3 HIS 4 HB1 HIS 4 -6.738 -8.941 -0.511
32 HD2 HIS 4 HD2 HIS 4 -4.212 -9.990 -0.857
33 HE1 HIS 4 HE1 HIS 4 -2.251 -7.899 2.243
34 HE2 HIS 4 HE2 HIS 4 -1.934 -9.555 0.344
35 H ILE 5 HN ILE 5 -7.186 -7.215 -2.245
36 HA ILE 5 HA ILE 5 -4.661 -6.493 -3.285
37 HB ILE 5 HB ILE 5 -7.389 -6.614 -4.584
38 HG12 ILE 5 HG12 ILE 5 -5.018 -8.487 -4.817
39 HG13 ILE 5 HG11 ILE 5 -6.315 -8.724 -3.645
40 HG21 ILE 5 HG21 ILE 5 -5.967 -6.766 -6.714
41 HG22 ILE 5 HG22 ILE 5 -4.639 -6.126 -5.747
42 HG23 ILE 5 HG23 ILE 5 -6.101 -5.168 -5.981
43 HD11 ILE 5 HD11 ILE 5 -6.795 -10.032 -5.651
44 HD12 ILE 5 HD12 ILE 5 -6.623 -8.594 -6.659
45 HD13 ILE 5 HD13 ILE 5 -7.961 -8.715 -5.518
46 H PHE 6 HN PHE 6 -7.661 -4.612 -2.917
47 HA PHE 6 HA PHE 6 -6.658 -2.265 -4.200
48 HB2 PHE 6 HB2 PHE 6 -9.088 -2.787 -3.861
49 HB3 PHE 6 HB1 PHE 6 -8.868 -2.454 -2.142
50 HD1 PHE 6 HD2 PHE 6 -8.429 -0.954 -5.535
51 HD2 PHE 6 HD1 PHE 6 -8.937 -0.231 -1.331
52 HE1 PHE 6 HE2 PHE 6 -8.680 1.472 -5.983
53 HE2 PHE 6 HE1 PHE 6 -9.188 2.195 -1.779
54 HZ PHE 6 HZ PHE 6 -9.059 3.046 -4.104
55 H ARG 7 HN ARG 7 -6.967 -3.288 -0.828
56 HA ARG 7 HA ARG 7 -5.917 -0.930 0.337
57 HB2 ARG 7 HB2 ARG 7 -7.274 -2.691 1.514
58 HB3 ARG 7 HB1 ARG 7 -5.859 -3.733 1.469
59 HG2 ARG 7 HG2 ARG 7 -5.703 -2.739 3.596
60 HG3 ARG 7 HG1 ARG 7 -4.625 -1.748 2.619
61 HD2 ARG 7 HD2 ARG 7 -6.257 -0.003 2.422
62 HD3 ARG 7 HD1 ARG 7 -7.533 -1.030 3.065
63 HE ARG 7 HE ARG 7 -6.753 -0.591 5.211
64 HH11 ARG 7 HH21 ARG 7 -4.491 0.461 2.816
65 HH12 ARG 7 HH22 ARG 7 -3.516 1.358 3.932
66 HH21 ARG 7 HH11 ARG 7 -5.489 0.588 6.679
67 HH22 ARG 7 HH12 ARG 7 -4.082 1.430 6.119
68 H GLY 8 HN GLY 8 -4.431 -3.944 -0.757
69 HA2 GLY 8 HA2 GLY 8 -1.883 -3.681 0.333
70 HA3 GLY 8 HA1 GLY 8 -2.243 -4.493 -1.187
71 H ILE 9 HN ILE 9 -3.334 -2.116 -2.447
72 HA ILE 9 HA ILE 9 -0.962 -1.071 -3.609
73 HB ILE 9 HB ILE 9 -3.822 -0.083 -3.680
74 HG12 ILE 9 HG12 ILE 9 -2.174 -1.464 -5.813
75 HG13 ILE 9 HG11 ILE 9 -3.216 -2.340 -4.692
76 HG21 ILE 9 HG21 ILE 9 -2.954 1.149 -5.759
77 HG22 ILE 9 HG22 ILE 9 -1.336 0.864 -5.118
78 HG23 ILE 9 HG23 ILE 9 -2.493 1.826 -4.196
79 HD11 ILE 9 HD11 ILE 9 -5.129 -0.891 -5.451
80 HD12 ILE 9 HD12 ILE 9 -4.479 -1.929 -6.718
81 HD13 ILE 9 HD13 ILE 9 -4.062 -0.216 -6.681
82 H VAL 10 HN VAL 10 -3.227 0.205 -1.213
83 HA VAL 10 HA VAL 10 -2.093 2.753 -0.896
84 HB VAL 10 HB VAL 10 -3.600 1.022 1.075
85 HG11 VAL 10 HG11 VAL 10 -2.732 3.918 1.184
86 HG12 VAL 10 HG12 VAL 10 -2.439 2.655 2.380
87 HG13 VAL 10 HG13 VAL 10 -4.067 3.294 2.152
88 HG21 VAL 10 HG21 VAL 10 -4.408 3.263 -0.805
89 HG22 VAL 10 HG22 VAL 10 -5.466 2.576 0.427
90 HG23 VAL 10 HG23 VAL 10 -4.899 1.572 -0.907
91 H HIS 11 HN HIS 11 -1.429 -0.280 0.872
92 HA HIS 11 HA HIS 11 0.480 0.844 2.651
93 HB2 HIS 11 HB2 HIS 11 -0.021 -1.973 1.689
94 HB3 HIS 11 HB1 HIS 11 1.265 -1.591 2.832
95 HD2 HIS 11 HD2 HIS 11 0.313 -0.574 5.378
96 HE1 HIS 11 HE1 HIS 11 -3.679 -1.791 4.750
97 HE2 HIS 11 HE2 HIS 11 -2.029 -0.934 6.477
98 H VAL 12 HN VAL 12 0.838 -0.909 -0.408
99 HA VAL 12 HA VAL 12 3.565 -1.058 -0.650
100 HB VAL 12 HB VAL 12 1.449 -0.497 -2.732
101 HG11 VAL 12 HG11 VAL 12 3.392 0.448 -3.737
102 HG12 VAL 12 HG12 VAL 12 3.294 -1.191 -4.381
103 HG13 VAL 12 HG13 VAL 12 4.437 -0.817 -3.089
104 HG21 VAL 12 HG21 VAL 12 3.193 -2.946 -2.423
105 HG22 VAL 12 HG22 VAL 12 1.620 -2.807 -3.207
106 HG23 VAL 12 HG23 VAL 12 1.737 -2.745 -1.450
107 H GLY 13 HN GLY 13 1.570 1.812 -0.867
108 HA2 GLY 13 HA2 GLY 13 3.554 3.520 -2.029
109 HA3 GLY 13 HA1 GLY 13 2.096 4.040 -1.191
110 H LYS 14 HN LYS 14 2.611 2.693 1.245
111 HA LYS 14 HA LYS 14 4.127 4.658 2.609
112 HB2 LYS 14 HB2 LYS 14 2.906 2.035 3.398
113 HB3 LYS 14 HB1 LYS 14 4.023 2.817 4.512
114 HG2 LYS 14 HG2 LYS 14 1.732 3.503 5.020
115 HG3 LYS 14 HG1 LYS 14 2.645 4.884 4.412
116 HD2 LYS 14 HD2 LYS 14 1.659 4.614 2.198
117 HD3 LYS 14 HD1 LYS 14 0.819 3.154 2.722
118 HE2 LYS 14 HE2 LYS 14 -0.450 4.459 4.372
119 HE3 LYS 14 HE1 LYS 14 0.411 5.922 3.892
120 HZ1 LYS 14 HZ1 LYS 14 -0.761 6.097 1.992
121 HZ2 LYS 14 HZ2 LYS 14 -1.916 5.195 2.851
122 HZ3 LYS 14 HZ3 LYS 14 -0.871 4.422 1.756
123 H THR 15 HN THR 15 4.995 1.338 1.616
124 HA THR 15 HA THR 15 7.532 1.325 2.896
125 HB THR 15 HB THR 15 8.007 -0.493 1.130
126 HG1 THR 15 HG1 THR 15 6.552 -0.774 -0.343
127 HG21 THR 15 HG21 THR 15 7.226 -0.969 3.423
128 HG22 THR 15 HG22 THR 15 6.502 -2.080 2.258
129 HG23 THR 15 HG23 THR 15 5.557 -0.737 2.900
130 H ILE 16 HN ILE 16 6.568 2.032 -0.438
131 HA ILE 16 HA ILE 16 9.217 2.704 -1.317
132 HB ILE 16 HB ILE 16 6.459 3.098 -2.469
133 HG12 ILE 16 HG12 ILE 16 7.235 1.562 -4.149
134 HG13 ILE 16 HG11 ILE 16 8.908 1.738 -3.628
135 HG21 ILE 16 HG21 ILE 16 9.046 4.348 -3.393
136 HG22 ILE 16 HG22 ILE 16 7.460 5.100 -3.225
137 HG23 ILE 16 HG23 ILE 16 7.763 3.969 -4.542
138 HD11 ILE 16 HD11 ILE 16 8.532 0.502 -1.635
139 HD12 ILE 16 HD12 ILE 16 7.667 -0.392 -2.885
140 HD13 ILE 16 HD13 ILE 16 6.784 0.651 -1.780
141 H HIS 17 HN HIS 17 6.416 4.656 -0.320
142 HA HIS 17 HA HIS 17 7.540 7.179 -0.696
143 HB2 HIS 17 HB2 HIS 17 5.164 6.833 -0.158
144 HB3 HIS 17 HB1 HIS 17 5.606 6.341 1.479
145 HD2 HIS 17 HD2 HIS 17 5.428 9.620 -0.685
146 HE1 HIS 17 HE1 HIS 17 6.323 10.718 3.291
147 HE2 HIS 17 HE2 HIS 17 5.724 11.603 0.989
148 H ARG 18 HN ARG 18 7.667 5.092 2.197
149 HA ARG 18 HA ARG 18 9.094 6.878 3.833
150 HB2 ARG 18 HB2 ARG 18 7.968 4.831 4.658
151 HB3 ARG 18 HB1 ARG 18 9.191 3.852 3.847
152 HG2 ARG 18 HG2 ARG 18 10.954 4.863 5.210
153 HG3 ARG 18 HG1 ARG 18 9.777 5.931 5.975
154 HD2 ARG 18 HD2 ARG 18 10.211 4.038 7.446
155 HD3 ARG 18 HD1 ARG 18 8.565 3.928 6.828
156 HE ARG 18 HE ARG 18 10.333 2.483 5.137
157 HH11 ARG 18 HH21 ARG 18 8.843 2.430 8.260
158 HH12 ARG 18 HH22 ARG 18 8.826 0.702 8.375
159 HH21 ARG 18 HH11 ARG 18 10.313 0.217 5.278
160 HH22 ARG 18 HH12 ARG 18 9.658 -0.552 6.687
161 H LEU 19 HN LEU 19 10.204 4.366 1.586
162 HA LEU 19 HA LEU 19 12.953 4.579 2.138
163 HB2 LEU 19 HB2 LEU 19 12.023 2.701 0.879
164 HB3 LEU 19 HB1 LEU 19 11.551 3.784 -0.426
165 HG LEU 19 HG LEU 19 13.904 4.322 -0.873
166 HD11 LEU 19 HD11 LEU 19 14.339 2.658 1.605
167 HD12 LEU 19 HD12 LEU 19 15.033 4.225 1.183
168 HD13 LEU 19 HD13 LEU 19 15.606 2.767 0.381
169 HD21 LEU 19 HD21 LEU 19 14.656 2.009 -1.548
170 HD22 LEU 19 HD22 LEU 19 13.015 2.410 -2.054
171 HD23 LEU 19 HD23 LEU 19 13.275 1.364 -0.658
172 H VAL 20 HN VAL 20 10.905 6.264 -0.227
173 HA VAL 20 HA VAL 20 12.962 7.705 -1.513
174 HB VAL 20 HB VAL 20 10.033 8.364 -1.118
175 HG11 VAL 20 HG11 VAL 20 10.452 9.860 -3.137
176 HG12 VAL 20 HG12 VAL 20 12.175 9.666 -2.813
177 HG13 VAL 20 HG13 VAL 20 11.135 10.435 -1.616
178 HG21 VAL 20 HG21 VAL 20 11.447 7.386 -3.606
179 HG22 VAL 20 HG22 VAL 20 9.717 7.395 -3.270
180 HG23 VAL 20 HG23 VAL 20 10.775 6.269 -2.420
181 H THR 21 HN THR 21 10.904 8.496 1.272
182 HA THR 21 HA THR 21 12.043 11.084 1.698
183 HB THR 21 HB THR 21 10.515 9.302 3.614
184 HG1 THR 21 HG1 THR 21 8.746 10.482 2.891
185 HG21 THR 21 HG21 THR 21 9.916 11.720 4.474
186 HG22 THR 21 HG22 THR 21 11.433 12.166 3.697
187 HG23 THR 21 HG23 THR 21 11.421 10.961 4.985
188 H GLY 22 HN GLY 22 13.451 8.172 1.877
189 HA2 GLY 22 HA2 GLY 22 14.779 8.239 4.409
190 HA3 GLY 22 HA1 GLY 22 15.239 7.258 3.020
191 HN1 NH2 23 HT1 GLY 22 16.625 10.888 2.018
192 HN2 NH2 23 HT2 GLY 22 14.983 10.364 1.850