Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
571665 | 2mcx RC | 19457 | 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 -14.805 5.949 0.795
2 H2 PHE 1 HT2 PHE 1 -13.413 5.462 1.640
3 H3 PHE 1 HT3 PHE 1 -14.952 5.002 2.194
4 HA PHE 1 HA PHE 1 -13.947 3.129 1.128
5 HB2 PHE 1 HB2 PHE 1 -16.098 4.476 -0.530
6 HB3 PHE 1 HB1 PHE 1 -15.631 2.784 -0.701
7 HD1 PHE 1 HD2 PHE 1 -15.997 1.185 1.171
8 HD2 PHE 1 HD1 PHE 1 -17.400 5.240 1.343
9 HE1 PHE 1 HE2 PHE 1 -17.485 0.590 3.063
10 HE2 PHE 1 HE1 PHE 1 -18.889 4.646 3.234
11 HZ PHE 1 HZ PHE 1 -18.931 2.320 4.094
12 H ILE 2 HN ILE 2 -14.047 6.026 -0.921
13 HA ILE 2 HA ILE 2 -12.642 4.960 -3.123
14 HB ILE 2 HB ILE 2 -12.957 7.796 -2.116
15 HG12 ILE 2 HG12 ILE 2 -14.453 7.913 -4.145
16 HG13 ILE 2 HG11 ILE 2 -14.226 6.178 -4.350
17 HG21 ILE 2 HG21 ILE 2 -11.568 6.702 -4.567
18 HG22 ILE 2 HG22 ILE 2 -10.958 7.872 -3.397
19 HG23 ILE 2 HG23 ILE 2 -12.227 8.339 -4.530
20 HD11 ILE 2 HD11 ILE 2 -16.314 7.067 -3.028
21 HD12 ILE 2 HD12 ILE 2 -15.172 7.238 -1.696
22 HD13 ILE 2 HD13 ILE 2 -15.444 5.657 -2.431
23 H HIS 3 HN HIS 3 -11.529 6.644 -0.197
24 HA HIS 3 HA HIS 3 -8.855 6.986 -0.852
25 HB2 HIS 3 HB2 HIS 3 -10.123 6.335 1.819
26 HB3 HIS 3 HB1 HIS 3 -8.441 6.830 1.624
27 HD2 HIS 3 HD2 HIS 3 -8.088 9.559 0.805
28 HE1 HIS 3 HE1 HIS 3 -12.144 10.640 1.263
29 HE2 HIS 3 HE2 HIS 3 -9.800 11.531 0.863
30 H HIS 4 HN HIS 4 -10.459 4.089 0.493
31 HA HIS 4 HA HIS 4 -8.313 2.515 1.045
32 HB2 HIS 4 HB2 HIS 4 -10.944 1.742 -0.219
33 HB3 HIS 4 HB1 HIS 4 -9.785 0.577 0.418
34 HD2 HIS 4 HD2 HIS 4 -9.816 0.309 3.207
35 HE1 HIS 4 HE1 HIS 4 -12.584 3.399 3.992
36 HE2 HIS 4 HE2 HIS 4 -11.280 1.481 5.025
37 H ILE 5 HN ILE 5 -9.706 3.037 -2.220
38 HA ILE 5 HA ILE 5 -8.139 1.093 -3.527
39 HB ILE 5 HB ILE 5 -9.448 3.645 -4.479
40 HG12 ILE 5 HG12 ILE 5 -11.011 2.009 -5.548
41 HG13 ILE 5 HG11 ILE 5 -10.137 0.701 -4.756
42 HG21 ILE 5 HG21 ILE 5 -9.130 2.554 -6.786
43 HG22 ILE 5 HG22 ILE 5 -7.901 1.551 -6.016
44 HG23 ILE 5 HG23 ILE 5 -7.709 3.303 -6.060
45 HD11 ILE 5 HD11 ILE 5 -11.223 2.977 -3.111
46 HD12 ILE 5 HD12 ILE 5 -10.891 1.313 -2.628
47 HD13 ILE 5 HD13 ILE 5 -12.294 1.678 -3.629
48 H PHE 6 HN PHE 6 -7.620 4.585 -3.025
49 HA PHE 6 HA PHE 6 -5.108 4.668 -4.369
50 HB2 PHE 6 HB2 PHE 6 -6.580 6.653 -3.922
51 HB3 PHE 6 HB1 PHE 6 -6.110 6.554 -2.226
52 HD1 PHE 6 HD2 PHE 6 -4.787 6.968 -5.682
53 HD2 PHE 6 HD1 PHE 6 -4.010 7.400 -1.479
54 HE1 PHE 6 HE2 PHE 6 -2.704 8.213 -6.194
55 HE2 PHE 6 HE1 PHE 6 -1.927 8.644 -1.993
56 HZ PHE 6 HZ PHE 6 -1.274 9.051 -4.350
57 H ARG 7 HN ARG 7 -6.068 4.345 -0.993
58 HA ARG 7 HA ARG 7 -3.493 4.433 0.155
59 HB2 ARG 7 HB2 ARG 7 -6.075 3.190 1.100
60 HB3 ARG 7 HB1 ARG 7 -4.608 3.229 2.078
61 HG2 ARG 7 HG2 ARG 7 -4.550 5.682 1.927
62 HG3 ARG 7 HG1 ARG 7 -5.993 5.663 0.915
63 HD2 ARG 7 HD2 ARG 7 -7.273 4.620 2.742
64 HD3 ARG 7 HD1 ARG 7 -5.833 4.619 3.756
65 HE ARG 7 HE ARG 7 -6.232 7.254 2.931
66 HH11 ARG 7 HH21 ARG 7 -7.874 4.795 4.728
67 HH12 ARG 7 HH22 ARG 7 -8.705 5.910 5.761
68 HH21 ARG 7 HH11 ARG 7 -7.318 8.722 4.282
69 HH22 ARG 7 HH12 ARG 7 -8.390 8.134 5.507
70 H GLY 8 HN GLY 8 -5.361 1.779 -1.234
71 HA2 GLY 8 HA2 GLY 8 -3.734 -0.338 -0.248
72 HA3 GLY 8 HA1 GLY 8 -4.843 -0.426 -1.613
73 H ILE 9 HN ILE 9 -3.615 1.686 -3.145
74 HA ILE 9 HA ILE 9 -1.704 0.185 -4.591
75 HB ILE 9 HB ILE 9 -2.345 3.139 -4.621
76 HG12 ILE 9 HG12 ILE 9 -3.036 0.952 -6.602
77 HG13 ILE 9 HG11 ILE 9 -4.113 1.438 -5.294
78 HG21 ILE 9 HG21 ILE 9 -0.502 1.468 -6.338
79 HG22 ILE 9 HG22 ILE 9 -0.160 3.003 -5.539
80 HG23 ILE 9 HG23 ILE 9 -1.228 2.957 -6.940
81 HD11 ILE 9 HD11 ILE 9 -3.928 3.818 -6.187
82 HD12 ILE 9 HD12 ILE 9 -4.796 2.686 -7.223
83 HD13 ILE 9 HD13 ILE 9 -3.132 3.131 -7.602
84 H VAL 10 HN VAL 10 -1.274 2.991 -2.428
85 HA VAL 10 HA VAL 10 1.562 3.004 -2.603
86 HB VAL 10 HB VAL 10 0.410 4.998 -1.885
87 HG11 VAL 10 HG11 VAL 10 -1.509 3.794 -0.841
88 HG12 VAL 10 HG12 VAL 10 -0.880 5.090 0.173
89 HG13 VAL 10 HG13 VAL 10 -0.481 3.411 0.538
90 HG21 VAL 10 HG21 VAL 10 1.786 3.942 0.593
91 HG22 VAL 10 HG22 VAL 10 1.776 5.591 -0.032
92 HG23 VAL 10 HG23 VAL 10 2.690 4.337 -0.868
93 H HIS 11 HN HIS 11 -0.707 1.497 -0.343
94 HA HIS 11 HA HIS 11 1.237 0.556 1.498
95 HB2 HIS 11 HB2 HIS 11 -1.163 0.682 2.040
96 HB3 HIS 11 HB1 HIS 11 -1.495 -0.577 0.849
97 HD2 HIS 11 HD2 HIS 11 -1.360 -3.120 1.918
98 HE1 HIS 11 HE1 HIS 11 0.926 -2.207 5.349
99 HE2 HIS 11 HE2 HIS 11 -0.316 -4.052 4.122
100 H ALA 12 HN ALA 12 -0.353 -0.975 -1.291
101 HA ALA 12 HA ALA 12 0.868 -3.499 -1.077
102 HB1 ALA 12 HB1 ALA 12 -0.202 -1.984 -3.463
103 HB2 ALA 12 HB2 ALA 12 -1.017 -3.242 -2.534
104 HB3 ALA 12 HB3 ALA 12 0.366 -3.651 -3.550
105 H GLY 13 HN GLY 13 2.071 -0.451 -2.196
106 HA2 GLY 13 HA2 GLY 13 4.277 -1.521 -3.726
107 HA3 GLY 13 HA1 GLY 13 4.059 0.159 -3.242
108 H ARG 14 HN ARG 14 3.835 -0.081 -0.542
109 HA ARG 14 HA ARG 14 6.501 -0.127 0.328
110 HB2 ARG 14 HB2 ARG 14 4.678 1.078 1.508
111 HB3 ARG 14 HB1 ARG 14 4.026 -0.474 2.037
112 HG2 ARG 14 HG2 ARG 14 6.090 -0.980 3.240
113 HG3 ARG 14 HG1 ARG 14 6.831 0.505 2.640
114 HD2 ARG 14 HD2 ARG 14 4.326 0.421 4.345
115 HD3 ARG 14 HD1 ARG 14 5.946 0.705 4.976
116 HE ARG 14 HE ARG 14 5.593 2.563 2.950
117 HH11 ARG 14 HH21 ARG 14 4.058 1.676 5.922
118 HH12 ARG 14 HH22 ARG 14 3.495 3.277 6.270
119 HH21 ARG 14 HH11 ARG 14 4.859 4.665 3.400
120 HH22 ARG 14 HH12 ARG 14 3.950 4.969 4.843
121 H SER 15 HN SER 15 3.975 -2.608 0.532
122 HA SER 15 HA SER 15 5.418 -4.461 2.114
123 HB2 SER 15 HB2 SER 15 3.269 -4.941 0.038
124 HB3 SER 15 HB1 SER 15 3.838 -6.137 1.200
125 HG SER 15 HG SER 15 2.589 -3.642 1.731
126 H ILE 16 HN ILE 16 5.145 -4.016 -1.375
127 HA ILE 16 HA ILE 16 6.716 -6.247 -2.147
128 HB ILE 16 HB ILE 16 6.139 -3.638 -3.569
129 HG12 ILE 16 HG12 ILE 16 5.092 -6.427 -4.107
130 HG13 ILE 16 HG11 ILE 16 4.265 -5.296 -3.040
131 HG21 ILE 16 HG21 ILE 16 7.608 -6.128 -4.461
132 HG22 ILE 16 HG22 ILE 16 8.148 -4.452 -4.568
133 HG23 ILE 16 HG23 ILE 16 6.848 -5.028 -5.612
134 HD11 ILE 16 HD11 ILE 16 5.023 -4.623 -5.892
135 HD12 ILE 16 HD12 ILE 16 3.954 -3.714 -4.824
136 HD13 ILE 16 HD13 ILE 16 3.450 -5.285 -5.445
137 H GLY 17 HN GLY 17 7.542 -2.852 -1.547
138 HA2 GLY 17 HA2 GLY 17 10.282 -3.033 -2.235
139 HA3 GLY 17 HA1 GLY 17 9.561 -1.802 -1.203
140 H ARG 18 HN ARG 18 8.502 -3.680 0.721
141 HA ARG 18 HA ARG 18 10.668 -3.809 2.521
142 HB2 ARG 18 HB2 ARG 18 8.282 -3.784 3.211
143 HB3 ARG 18 HB1 ARG 18 8.107 -5.425 2.588
144 HG2 ARG 18 HG2 ARG 18 9.820 -6.226 4.160
145 HG3 ARG 18 HG1 ARG 18 10.048 -4.585 4.763
146 HD2 ARG 18 HD2 ARG 18 7.624 -4.556 5.414
147 HD3 ARG 18 HD1 ARG 18 7.528 -6.254 4.956
148 HE ARG 18 HE ARG 18 9.651 -6.048 6.739
149 HH11 ARG 18 HH21 ARG 18 6.248 -5.426 6.676
150 HH12 ARG 18 HH22 ARG 18 6.017 -5.758 8.361
151 HH21 ARG 18 HH11 ARG 18 9.355 -6.485 8.948
152 HH22 ARG 18 HH12 ARG 18 7.775 -6.357 9.647
153 H PHE 19 HN PHE 19 9.149 -6.330 0.515
154 HA PHE 19 HA PHE 19 10.806 -8.456 1.406
155 HB2 PHE 19 HB2 PHE 19 9.191 -8.067 -1.118
156 HB3 PHE 19 HB1 PHE 19 10.067 -9.552 -0.753
157 HD1 PHE 19 HD2 PHE 19 9.663 -10.501 1.701
158 HD2 PHE 19 HD1 PHE 19 6.962 -7.911 -0.408
159 HE1 PHE 19 HE2 PHE 19 7.799 -11.268 3.146
160 HE2 PHE 19 HE1 PHE 19 5.099 -8.676 1.037
161 HZ PHE 19 HZ PHE 19 5.517 -10.356 2.814
162 H LEU 20 HN LEU 20 11.100 -6.077 -1.174
163 HA LEU 20 HA LEU 20 13.254 -7.249 -2.556
164 HB2 LEU 20 HB2 LEU 20 11.703 -5.116 -3.052
165 HB3 LEU 20 HB1 LEU 20 13.075 -4.261 -2.359
166 HG LEU 20 HG LEU 20 13.400 -4.384 -4.755
167 HD11 LEU 20 HD11 LEU 20 15.198 -6.549 -3.679
168 HD12 LEU 20 HD12 LEU 20 15.337 -4.887 -3.100
169 HD13 LEU 20 HD13 LEU 20 15.586 -5.251 -4.805
170 HD21 LEU 20 HD21 LEU 20 12.895 -6.188 -6.058
171 HD22 LEU 20 HD22 LEU 20 11.977 -6.751 -4.667
172 HD23 LEU 20 HD23 LEU 20 13.615 -7.340 -4.937
173 H THR 21 HN THR 21 13.141 -5.059 0.225
174 HA THR 21 HA THR 21 15.905 -4.534 0.416
175 HB THR 21 HB THR 21 13.975 -4.735 2.735
176 HG1 THR 21 HG1 THR 21 14.491 -2.456 1.149
177 HG21 THR 21 HG21 THR 21 16.309 -2.864 2.283
178 HG22 THR 21 HG22 THR 21 16.467 -4.402 3.130
179 HG23 THR 21 HG23 THR 21 15.423 -3.140 3.783
180 H GLY 22 HN GLY 22 13.887 -7.052 1.916
181 HA2 GLY 22 HA2 GLY 22 14.438 -9.136 2.731
182 HA3 GLY 22 HA1 GLY 22 15.986 -8.974 1.909
183 HN1 NH2 23 HT1 GLY 22 16.509 -6.739 5.202
184 HN2 NH2 23 HT2 GLY 22 15.688 -6.225 3.766
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 -14.908 5.284 1.997
2 H2 PHE 1 HT2 PHE 1 -13.932 6.050 0.837
3 H3 PHE 1 HT3 PHE 1 -13.218 5.178 2.107
4 HA PHE 1 HA PHE 1 -13.693 3.146 1.201
5 HB2 PHE 1 HB2 PHE 1 -15.812 4.512 -0.489
6 HB3 PHE 1 HB1 PHE 1 -15.516 2.776 -0.380
7 HD1 PHE 1 HD1 PHE 1 -16.768 5.749 1.412
8 HD2 PHE 1 HD2 PHE 1 -16.197 1.494 1.570
9 HE1 PHE 1 HE1 PHE 1 -18.255 5.623 3.394
10 HE2 PHE 1 HE2 PHE 1 -17.684 1.368 3.550
11 HZ PHE 1 HZ PHE 1 -18.713 3.431 4.462
12 H ILE 2 HN ILE 2 -13.931 5.988 -0.925
13 HA ILE 2 HA ILE 2 -12.576 4.856 -3.140
14 HB ILE 2 HB ILE 2 -12.677 7.780 -2.360
15 HG12 ILE 2 HG12 ILE 2 -14.944 6.906 -2.311
16 HG13 ILE 2 HG11 ILE 2 -14.737 7.822 -3.801
17 HG21 ILE 2 HG21 ILE 2 -12.432 6.359 -5.027
18 HG22 ILE 2 HG22 ILE 2 -11.139 7.226 -4.200
19 HG23 ILE 2 HG23 ILE 2 -12.540 8.107 -4.810
20 HD11 ILE 2 HD11 ILE 2 -15.826 5.847 -4.494
21 HD12 ILE 2 HD12 ILE 2 -14.845 4.830 -3.443
22 HD13 ILE 2 HD13 ILE 2 -14.135 5.551 -4.890
23 H HIS 3 HN HIS 3 -11.452 6.733 -0.351
24 HA HIS 3 HA HIS 3 -8.801 7.126 -1.110
25 HB2 HIS 3 HB2 HIS 3 -10.065 6.671 1.599
26 HB3 HIS 3 HB1 HIS 3 -8.348 7.029 1.415
27 HD2 HIS 3 HD2 HIS 3 -8.126 9.509 -0.449
28 HE1 HIS 3 HE1 HIS 3 -11.482 11.203 1.475
29 HE2 HIS 3 HE2 HIS 3 -9.498 11.692 -0.033
30 H HIS 4 HN HIS 4 -10.300 4.279 0.441
31 HA HIS 4 HA HIS 4 -8.110 2.758 0.990
32 HB2 HIS 4 HB2 HIS 4 -10.680 1.777 -0.262
33 HB3 HIS 4 HB1 HIS 4 -9.542 0.800 0.665
34 HD2 HIS 4 HD2 HIS 4 -9.369 3.686 2.808
35 HE1 HIS 4 HE1 HIS 4 -13.103 2.058 3.918
36 HE2 HIS 4 HE2 HIS 4 -11.272 3.682 4.596
37 H ILE 5 HN ILE 5 -9.617 3.192 -2.235
38 HA ILE 5 HA ILE 5 -8.164 1.200 -3.582
39 HB ILE 5 HB ILE 5 -9.096 3.856 -4.684
40 HG12 ILE 5 HG12 ILE 5 -10.943 2.861 -3.464
41 HG13 ILE 5 HG11 ILE 5 -11.225 2.617 -5.185
42 HG21 ILE 5 HG21 ILE 5 -9.329 2.598 -6.775
43 HG22 ILE 5 HG22 ILE 5 -8.817 1.120 -5.961
44 HG23 ILE 5 HG23 ILE 5 -7.677 2.450 -6.173
45 HD11 ILE 5 HD11 ILE 5 -11.696 0.509 -4.260
46 HD12 ILE 5 HD12 ILE 5 -10.363 0.611 -3.113
47 HD13 ILE 5 HD13 ILE 5 -10.037 0.324 -4.824
48 H PHE 6 HN PHE 6 -7.502 4.679 -3.132
49 HA PHE 6 HA PHE 6 -5.012 4.617 -4.528
50 HB2 PHE 6 HB2 PHE 6 -6.262 6.580 -2.606
51 HB3 PHE 6 HB1 PHE 6 -4.665 6.836 -3.308
52 HD1 PHE 6 HD2 PHE 6 -4.383 7.190 -5.719
53 HD2 PHE 6 HD1 PHE 6 -8.277 6.687 -3.977
54 HE1 PHE 6 HE2 PHE 6 -5.425 8.047 -7.800
55 HE2 PHE 6 HE1 PHE 6 -9.319 7.544 -6.058
56 HZ PHE 6 HZ PHE 6 -7.893 8.224 -7.969
57 H ARG 7 HN ARG 7 -5.927 4.498 -1.110
58 HA ARG 7 HA ARG 7 -3.322 4.476 -0.030
59 HB2 ARG 7 HB2 ARG 7 -5.398 4.883 1.299
60 HB3 ARG 7 HB1 ARG 7 -5.794 3.173 1.129
61 HG2 ARG 7 HG2 ARG 7 -3.655 2.573 2.234
62 HG3 ARG 7 HG1 ARG 7 -3.293 4.287 2.428
63 HD2 ARG 7 HD2 ARG 7 -4.252 3.374 4.494
64 HD3 ARG 7 HD1 ARG 7 -5.335 4.568 3.783
65 HE ARG 7 HE ARG 7 -6.854 2.851 3.289
66 HH11 ARG 7 HH21 ARG 7 -3.831 1.624 4.444
67 HH12 ARG 7 HH22 ARG 7 -4.421 0.011 4.675
68 HH21 ARG 7 HH11 ARG 7 -7.630 0.742 3.589
69 HH22 ARG 7 HH12 ARG 7 -6.570 -0.489 4.191
70 H GLY 8 HN GLY 8 -5.398 1.899 -1.257
71 HA2 GLY 8 HA2 GLY 8 -3.981 -0.325 -0.269
72 HA3 GLY 8 HA1 GLY 8 -4.991 -0.309 -1.711
73 H ILE 9 HN ILE 9 -3.490 1.745 -3.064
74 HA ILE 9 HA ILE 9 -1.569 0.119 -4.393
75 HB ILE 9 HB ILE 9 -2.072 3.101 -4.503
76 HG12 ILE 9 HG12 ILE 9 -2.704 0.911 -6.501
77 HG13 ILE 9 HG11 ILE 9 -3.860 1.486 -5.299
78 HG21 ILE 9 HG21 ILE 9 -0.182 1.312 -6.043
79 HG22 ILE 9 HG22 ILE 9 0.177 2.834 -5.229
80 HG23 ILE 9 HG23 ILE 9 -0.772 2.831 -6.715
81 HD11 ILE 9 HD11 ILE 9 -2.526 3.172 -7.437
82 HD12 ILE 9 HD12 ILE 9 -3.620 3.789 -6.201
83 HD13 ILE 9 HD13 ILE 9 -4.214 2.662 -7.420
84 H VAL 10 HN VAL 10 -1.300 2.771 -2.055
85 HA VAL 10 HA VAL 10 1.520 2.914 -2.021
86 HB VAL 10 HB VAL 10 -0.514 3.624 0.103
87 HG11 VAL 10 HG11 VAL 10 2.466 4.088 -0.100
88 HG12 VAL 10 HG12 VAL 10 1.555 3.409 1.249
89 HG13 VAL 10 HG13 VAL 10 1.428 5.129 0.875
90 HG21 VAL 10 HG21 VAL 10 0.997 5.335 -1.901
91 HG22 VAL 10 HG22 VAL 10 -0.205 5.901 -0.742
92 HG23 VAL 10 HG23 VAL 10 -0.689 4.845 -2.068
93 H HIS 11 HN HIS 11 -0.777 1.112 -0.002
94 HA HIS 11 HA HIS 11 1.186 -0.038 1.706
95 HB2 HIS 11 HB2 HIS 11 -1.680 -0.712 1.063
96 HB3 HIS 11 HB1 HIS 11 -0.719 -1.741 2.125
97 HD2 HIS 11 HD2 HIS 11 -0.640 -0.851 4.739
98 HE1 HIS 11 HE1 HIS 11 -1.963 3.101 4.063
99 HE2 HIS 11 HE2 HIS 11 -1.315 1.415 5.848
100 H ALA 12 HN ALA 12 -0.470 -1.223 -1.213
101 HA ALA 12 HA ALA 12 0.657 -3.796 -1.266
102 HB1 ALA 12 HB1 ALA 12 -1.246 -3.033 -2.687
103 HB2 ALA 12 HB2 ALA 12 0.025 -3.839 -3.607
104 HB3 ALA 12 HB3 ALA 12 -0.106 -2.081 -3.638
105 H GLY 13 HN GLY 13 1.939 -0.680 -2.158
106 HA2 GLY 13 HA2 GLY 13 4.193 -1.760 -3.638
107 HA3 GLY 13 HA1 GLY 13 3.930 -0.070 -3.220
108 H ARG 14 HN ARG 14 3.535 -0.427 -0.452
109 HA ARG 14 HA ARG 14 6.159 -0.240 0.517
110 HB2 ARG 14 HB2 ARG 14 4.074 0.650 1.655
111 HB3 ARG 14 HB1 ARG 14 3.747 -1.001 2.172
112 HG2 ARG 14 HG2 ARG 14 4.935 -0.224 4.016
113 HG3 ARG 14 HG1 ARG 14 6.253 -0.890 3.059
114 HD2 ARG 14 HD2 ARG 14 6.804 1.365 3.891
115 HD3 ARG 14 HD1 ARG 14 6.724 1.340 2.131
116 HE ARG 14 HE ARG 14 4.201 2.059 3.274
117 HH11 ARG 14 HH21 ARG 14 7.391 3.196 2.561
118 HH12 ARG 14 HH22 ARG 14 6.916 4.853 2.409
119 HH21 ARG 14 HH11 ARG 14 3.571 4.231 3.074
120 HH22 ARG 14 HH12 ARG 14 4.753 5.441 2.698
121 H SER 15 HN SER 15 3.887 -2.964 0.524
122 HA SER 15 HA SER 15 5.471 -4.740 2.058
123 HB2 SER 15 HB2 SER 15 3.455 -5.397 -0.102
124 HB3 SER 15 HB1 SER 15 4.050 -6.499 1.136
125 HG SER 15 HG SER 15 2.833 -4.018 1.750
126 H ILE 16 HN ILE 16 5.201 -4.182 -1.425
127 HA ILE 16 HA ILE 16 6.978 -6.231 -2.240
128 HB ILE 16 HB ILE 16 6.214 -3.625 -3.583
129 HG12 ILE 16 HG12 ILE 16 5.359 -6.471 -4.184
130 HG13 ILE 16 HG11 ILE 16 4.438 -5.391 -3.135
131 HG21 ILE 16 HG21 ILE 16 8.296 -4.290 -4.561
132 HG22 ILE 16 HG22 ILE 16 7.045 -4.877 -5.655
133 HG23 ILE 16 HG23 ILE 16 7.838 -5.993 -4.543
134 HD11 ILE 16 HD11 ILE 16 3.616 -5.367 -5.493
135 HD12 ILE 16 HD12 ILE 16 5.192 -4.766 -6.004
136 HD13 ILE 16 HD13 ILE 16 4.173 -3.784 -4.950
137 H GLY 17 HN GLY 17 7.489 -2.784 -1.537
138 HA2 GLY 17 HA2 GLY 17 10.236 -2.700 -2.188
139 HA3 GLY 17 HA1 GLY 17 9.403 -1.577 -1.119
140 H ARG 18 HN ARG 18 8.516 -3.550 0.766
141 HA ARG 18 HA ARG 18 10.783 -3.627 2.481
142 HB2 ARG 18 HB2 ARG 18 8.447 -3.537 3.310
143 HB3 ARG 18 HB1 ARG 18 8.192 -5.178 2.715
144 HG2 ARG 18 HG2 ARG 18 10.004 -5.993 4.188
145 HG3 ARG 18 HG1 ARG 18 10.251 -4.352 4.786
146 HD2 ARG 18 HD2 ARG 18 7.856 -4.339 5.542
147 HD3 ARG 18 HD1 ARG 18 7.753 -6.038 5.088
148 HE ARG 18 HE ARG 18 8.973 -4.991 7.454
149 HH11 ARG 18 HH21 ARG 18 9.188 -7.445 5.026
150 HH12 ARG 18 HH22 ARG 18 9.994 -8.585 6.052
151 HH21 ARG 18 HH11 ARG 18 10.027 -6.480 8.806
152 HH22 ARG 18 HH12 ARG 18 10.468 -8.038 8.193
153 H PHE 19 HN PHE 19 9.124 -6.090 0.546
154 HA PHE 19 HA PHE 19 10.715 -8.286 1.361
155 HB2 PHE 19 HB2 PHE 19 8.535 -8.556 0.243
156 HB3 PHE 19 HB1 PHE 19 9.214 -7.882 -1.238
157 HD1 PHE 19 HD2 PHE 19 9.657 -10.642 1.241
158 HD2 PHE 19 HD1 PHE 19 10.379 -9.265 -2.763
159 HE1 PHE 19 HE2 PHE 19 10.522 -12.883 0.627
160 HE2 PHE 19 HE1 PHE 19 11.244 -11.507 -3.379
161 HZ PHE 19 HZ PHE 19 11.315 -13.315 -1.683
162 H LEU 20 HN LEU 20 10.998 -5.953 -1.279
163 HA LEU 20 HA LEU 20 13.120 -7.201 -2.639
164 HB2 LEU 20 HB2 LEU 20 11.592 -5.078 -3.229
165 HB3 LEU 20 HB1 LEU 20 12.970 -4.207 -2.572
166 HG LEU 20 HG LEU 20 13.306 -4.407 -4.953
167 HD11 LEU 20 HD11 LEU 20 15.240 -4.893 -3.309
168 HD12 LEU 20 HD12 LEU 20 15.468 -5.348 -4.995
169 HD13 LEU 20 HD13 LEU 20 15.053 -6.578 -3.808
170 HD21 LEU 20 HD21 LEU 20 13.337 -7.409 -4.898
171 HD22 LEU 20 HD22 LEU 20 12.965 -6.313 -6.223
172 HD23 LEU 20 HD23 LEU 20 11.773 -6.593 -4.961
173 H THR 21 HN THR 21 13.070 -4.905 0.058
174 HA THR 21 HA THR 21 15.848 -4.420 0.176
175 HB THR 21 HB THR 21 13.921 -4.448 2.504
176 HG1 THR 21 HG1 THR 21 14.555 -2.195 0.960
177 HG21 THR 21 HG21 THR 21 16.270 -4.223 3.134
178 HG22 THR 21 HG22 THR 21 15.449 -2.677 3.345
179 HG23 THR 21 HG23 THR 21 16.489 -2.938 1.945
180 H GLY 22 HN GLY 22 13.818 -6.792 1.897
181 HA2 GLY 22 HA2 GLY 22 15.607 -7.989 3.565
182 HA3 GLY 22 HA1 GLY 22 14.369 -8.893 2.700
183 HN1 NH2 23 HT1 GLY 22 17.367 -8.734 0.033
184 HN2 NH2 23 HT2 GLY 22 16.231 -7.462 0.336
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 -14.828 4.946 0.040
2 H2 PHE 1 HT2 PHE 1 -13.571 4.604 1.130
3 H3 PHE 1 HT3 PHE 1 -14.976 3.648 1.120
4 HA PHE 1 HA PHE 1 -13.124 2.517 0.036
5 HB2 PHE 1 HB2 PHE 1 -15.505 3.382 -1.612
6 HB3 PHE 1 HB1 PHE 1 -14.342 2.202 -2.213
7 HD1 PHE 1 HD2 PHE 1 -13.834 0.159 -0.723
8 HD2 PHE 1 HD1 PHE 1 -17.248 2.704 -0.162
9 HE1 PHE 1 HE2 PHE 1 -14.950 -1.628 0.586
10 HE2 PHE 1 HE1 PHE 1 -18.364 0.918 1.147
11 HZ PHE 1 HZ PHE 1 -17.216 -1.247 1.521
12 H ILE 2 HN ILE 2 -13.958 5.680 -1.287
13 HA ILE 2 HA ILE 2 -12.325 5.815 -3.504
14 HB ILE 2 HB ILE 2 -13.890 7.596 -2.725
15 HG12 ILE 2 HG12 ILE 2 -11.075 8.644 -3.132
16 HG13 ILE 2 HG11 ILE 2 -12.040 7.957 -4.438
17 HG21 ILE 2 HG21 ILE 2 -11.629 8.462 -0.915
18 HG22 ILE 2 HG22 ILE 2 -12.979 7.487 -0.334
19 HG23 ILE 2 HG23 ILE 2 -13.272 9.101 -0.982
20 HD11 ILE 2 HD11 ILE 2 -12.638 10.426 -2.796
21 HD12 ILE 2 HD12 ILE 2 -13.850 9.650 -3.815
22 HD13 ILE 2 HD13 ILE 2 -12.391 10.323 -4.538
23 H HIS 3 HN HIS 3 -11.414 6.309 -0.084
24 HA HIS 3 HA HIS 3 -8.685 6.934 -0.702
25 HB2 HIS 3 HB2 HIS 3 -8.347 6.868 1.690
26 HB3 HIS 3 HB1 HIS 3 -9.877 7.682 1.361
27 HD2 HIS 3 HD2 HIS 3 -12.174 6.305 2.262
28 HE1 HIS 3 HE1 HIS 3 -10.125 3.034 3.975
29 HE2 HIS 3 HE2 HIS 3 -12.388 4.163 3.743
30 H HIS 4 HN HIS 4 -10.353 4.027 0.546
31 HA HIS 4 HA HIS 4 -8.280 2.350 1.012
32 HB2 HIS 4 HB2 HIS 4 -10.665 1.765 1.302
33 HB3 HIS 4 HB1 HIS 4 -10.811 1.590 -0.448
34 HD2 HIS 4 HD2 HIS 4 -9.901 -0.857 -1.454
35 HE1 HIS 4 HE1 HIS 4 -8.269 -2.335 2.149
36 HE2 HIS 4 HE2 HIS 4 -8.822 -2.914 -0.261
37 H ILE 5 HN ILE 5 -9.835 2.612 -2.253
38 HA ILE 5 HA ILE 5 -8.120 0.849 -3.573
39 HB ILE 5 HB ILE 5 -10.164 1.617 -4.602
40 HG12 ILE 5 HG12 ILE 5 -7.901 2.850 -6.195
41 HG13 ILE 5 HG11 ILE 5 -8.116 1.106 -6.052
42 HG21 ILE 5 HG21 ILE 5 -9.983 3.926 -3.507
43 HG22 ILE 5 HG22 ILE 5 -10.619 3.891 -5.146
44 HG23 ILE 5 HG23 ILE 5 -8.947 4.372 -4.858
45 HD11 ILE 5 HD11 ILE 5 -10.436 2.828 -6.912
46 HD12 ILE 5 HD12 ILE 5 -10.129 1.124 -7.250
47 HD13 ILE 5 HD13 ILE 5 -9.198 2.369 -8.083
48 H PHE 6 HN PHE 6 -7.823 4.400 -3.224
49 HA PHE 6 HA PHE 6 -5.381 4.564 -4.691
50 HB2 PHE 6 HB2 PHE 6 -6.995 6.389 -2.955
51 HB3 PHE 6 HB1 PHE 6 -5.311 6.829 -3.234
52 HD1 PHE 6 HD1 PHE 6 -4.551 6.480 -5.799
53 HD2 PHE 6 HD2 PHE 6 -8.569 7.235 -4.474
54 HE1 PHE 6 HE1 PHE 6 -5.131 7.347 -8.049
55 HE2 PHE 6 HE2 PHE 6 -9.147 8.101 -6.725
56 HZ PHE 6 HZ PHE 6 -7.429 8.157 -8.513
57 H ARG 7 HN ARG 7 -6.104 4.463 -1.229
58 HA ARG 7 HA ARG 7 -3.438 4.695 -0.325
59 HB2 ARG 7 HB2 ARG 7 -5.908 3.527 0.960
60 HB3 ARG 7 HB1 ARG 7 -4.360 3.661 1.795
61 HG2 ARG 7 HG2 ARG 7 -4.347 6.085 1.449
62 HG3 ARG 7 HG1 ARG 7 -5.852 5.980 0.534
63 HD2 ARG 7 HD2 ARG 7 -6.327 6.666 2.835
64 HD3 ARG 7 HD1 ARG 7 -6.985 5.059 2.540
65 HE ARG 7 HE ARG 7 -4.385 4.772 3.582
66 HH11 ARG 7 HH21 ARG 7 -7.532 5.906 4.473
67 HH12 ARG 7 HH22 ARG 7 -7.344 5.525 6.153
68 HH21 ARG 7 HH11 ARG 7 -4.133 4.270 5.783
69 HH22 ARG 7 HH12 ARG 7 -5.421 4.600 6.893
70 H GLY 8 HN GLY 8 -5.387 1.921 -1.298
71 HA2 GLY 8 HA2 GLY 8 -3.857 -0.167 -0.243
72 HA3 GLY 8 HA1 GLY 8 -4.831 -0.261 -1.707
73 H ILE 9 HN ILE 9 -3.370 1.831 -3.091
74 HA ILE 9 HA ILE 9 -1.393 0.258 -4.371
75 HB ILE 9 HB ILE 9 -1.629 3.273 -4.424
76 HG12 ILE 9 HG12 ILE 9 -3.806 2.305 -4.925
77 HG13 ILE 9 HG11 ILE 9 -3.083 2.873 -6.425
78 HG21 ILE 9 HG21 ILE 9 0.430 2.342 -5.431
79 HG22 ILE 9 HG22 ILE 9 -0.633 3.015 -6.667
80 HG23 ILE 9 HG23 ILE 9 -0.554 1.270 -6.428
81 HD11 ILE 9 HD11 ILE 9 -3.451 0.045 -5.451
82 HD12 ILE 9 HD12 ILE 9 -2.179 0.409 -6.611
83 HD13 ILE 9 HD13 ILE 9 -3.860 0.739 -7.018
84 H VAL 10 HN VAL 10 -1.143 2.897 -1.989
85 HA VAL 10 HA VAL 10 1.685 2.989 -1.916
86 HB VAL 10 HB VAL 10 -0.354 3.708 0.201
87 HG11 VAL 10 HG11 VAL 10 2.616 4.223 -0.044
88 HG12 VAL 10 HG12 VAL 10 1.759 3.463 1.296
89 HG13 VAL 10 HG13 VAL 10 1.568 5.190 0.994
90 HG21 VAL 10 HG21 VAL 10 -0.454 4.890 -2.051
91 HG22 VAL 10 HG22 VAL 10 1.165 5.500 -1.711
92 HG23 VAL 10 HG23 VAL 10 -0.181 5.943 -0.664
93 H HIS 11 HN HIS 11 -0.679 1.272 0.117
94 HA HIS 11 HA HIS 11 1.240 0.051 1.819
95 HB2 HIS 11 HB2 HIS 11 -1.632 -0.580 1.140
96 HB3 HIS 11 HB1 HIS 11 -0.702 -1.586 2.250
97 HD2 HIS 11 HD2 HIS 11 -2.395 1.942 2.182
98 HE1 HIS 11 HE1 HIS 11 -0.654 1.422 5.991
99 HE2 HIS 11 HE2 HIS 11 -2.166 2.910 4.595
100 H ALA 12 HN ALA 12 -0.490 -1.138 -1.062
101 HA ALA 12 HA ALA 12 0.614 -3.716 -1.118
102 HB1 ALA 12 HB1 ALA 12 0.074 -3.617 -3.581
103 HB2 ALA 12 HB2 ALA 12 -0.384 -1.932 -3.344
104 HB3 ALA 12 HB3 ALA 12 -1.272 -3.210 -2.517
105 H GLY 13 HN GLY 13 1.880 -0.628 -2.174
106 HA2 GLY 13 HA2 GLY 13 4.101 -1.788 -3.643
107 HA3 GLY 13 HA1 GLY 13 3.842 -0.077 -3.317
108 H ARG 14 HN ARG 14 3.513 -0.334 -0.503
109 HA ARG 14 HA ARG 14 6.189 -0.103 0.358
110 HB2 ARG 14 HB2 ARG 14 4.275 0.966 1.518
111 HB3 ARG 14 HB1 ARG 14 3.742 -0.625 2.064
112 HG2 ARG 14 HG2 ARG 14 5.846 -0.947 3.277
113 HG3 ARG 14 HG1 ARG 14 6.448 0.600 2.682
114 HD2 ARG 14 HD2 ARG 14 5.604 0.935 4.926
115 HD3 ARG 14 HD1 ARG 14 4.498 1.716 3.801
116 HE ARG 14 HE ARG 14 3.662 -0.955 4.322
117 HH11 ARG 14 HH21 ARG 14 3.859 2.216 5.689
118 HH12 ARG 14 HH22 ARG 14 2.490 2.002 6.730
119 HH21 ARG 14 HH11 ARG 14 1.866 -1.243 5.683
120 HH22 ARG 14 HH12 ARG 14 1.361 0.044 6.726
121 H SER 15 HN SER 15 3.855 -2.761 0.644
122 HA SER 15 HA SER 15 5.490 -4.465 2.217
123 HB2 SER 15 HB2 SER 15 3.956 -6.251 1.464
124 HB3 SER 15 HB1 SER 15 3.084 -4.822 2.011
125 HG SER 15 HG SER 15 2.547 -4.355 -0.021
126 H ILE 16 HN ILE 16 5.025 -4.139 -1.276
127 HA ILE 16 HA ILE 16 6.663 -6.321 -2.044
128 HB ILE 16 HB ILE 16 5.897 -3.789 -3.516
129 HG12 ILE 16 HG12 ILE 16 4.946 -6.641 -3.893
130 HG13 ILE 16 HG11 ILE 16 4.119 -5.490 -2.845
131 HG21 ILE 16 HG21 ILE 16 7.893 -4.558 -4.576
132 HG22 ILE 16 HG22 ILE 16 6.568 -5.201 -5.547
133 HG23 ILE 16 HG23 ILE 16 7.418 -6.247 -4.410
134 HD11 ILE 16 HD11 ILE 16 4.661 -5.108 -5.805
135 HD12 ILE 16 HD12 ILE 16 3.843 -3.949 -4.757
136 HD13 ILE 16 HD13 ILE 16 3.099 -5.513 -5.089
137 H GLY 17 HN GLY 17 7.347 -2.867 -1.609
138 HA2 GLY 17 HA2 GLY 17 10.045 -2.929 -2.436
139 HA3 GLY 17 HA1 GLY 17 9.325 -1.711 -1.387
140 H ARG 18 HN ARG 18 8.493 -3.588 0.651
141 HA ARG 18 HA ARG 18 10.797 -3.574 2.284
142 HB2 ARG 18 HB2 ARG 18 8.393 -3.632 3.075
143 HB3 ARG 18 HB1 ARG 18 8.370 -5.343 2.658
144 HG2 ARG 18 HG2 ARG 18 9.009 -5.511 4.887
145 HG3 ARG 18 HG1 ARG 18 10.602 -5.382 4.145
146 HD2 ARG 18 HD2 ARG 18 10.484 -3.831 6.010
147 HD3 ARG 18 HD1 ARG 18 10.519 -2.908 4.510
148 HE ARG 18 HE ARG 18 7.831 -3.409 5.295
149 HH11 ARG 18 HH21 ARG 18 10.647 -1.556 6.076
150 HH12 ARG 18 HH22 ARG 18 9.757 -0.235 6.758
151 HH21 ARG 18 HH11 ARG 18 6.658 -1.680 6.187
152 HH22 ARG 18 HH12 ARG 18 7.499 -0.306 6.821
153 H PHE 19 HN PHE 19 9.223 -6.199 0.464
154 HA PHE 19 HA PHE 19 10.926 -8.279 1.314
155 HB2 PHE 19 HB2 PHE 19 9.225 -7.884 -1.147
156 HB3 PHE 19 HB1 PHE 19 10.187 -9.343 -0.914
157 HD1 PHE 19 HD2 PHE 19 9.964 -10.413 1.527
158 HD2 PHE 19 HD1 PHE 19 7.022 -7.903 -0.342
159 HE1 PHE 19 HE2 PHE 19 8.218 -11.345 3.022
160 HE2 PHE 19 HE1 PHE 19 5.277 -8.834 1.152
161 HZ PHE 19 HZ PHE 19 5.875 -10.557 2.834
162 H LEU 20 HN LEU 20 11.195 -5.908 -1.285
163 HA LEU 20 HA LEU 20 13.334 -7.039 -2.691
164 HB2 LEU 20 HB2 LEU 20 12.064 -5.116 -3.546
165 HB3 LEU 20 HB1 LEU 20 12.700 -4.104 -2.251
166 HG LEU 20 HG LEU 20 14.996 -4.448 -3.106
167 HD11 LEU 20 HD11 LEU 20 15.078 -6.538 -4.142
168 HD12 LEU 20 HD12 LEU 20 15.008 -5.476 -5.548
169 HD13 LEU 20 HD13 LEU 20 13.552 -6.299 -4.989
170 HD21 LEU 20 HD21 LEU 20 13.729 -2.531 -3.950
171 HD22 LEU 20 HD22 LEU 20 12.998 -3.536 -5.203
172 HD23 LEU 20 HD23 LEU 20 14.728 -3.198 -5.240
173 H THR 21 HN THR 21 13.279 -5.020 0.215
174 HA THR 21 HA THR 21 15.970 -4.382 0.435
175 HB THR 21 HB THR 21 14.094 -5.126 2.693
176 HG1 THR 21 HG1 THR 21 13.302 -3.490 1.299
177 HG21 THR 21 HG21 THR 21 15.606 -3.333 3.831
178 HG22 THR 21 HG22 THR 21 16.750 -3.708 2.543
179 HG23 THR 21 HG23 THR 21 16.228 -4.972 3.657
180 H GLY 22 HN GLY 22 17.541 -5.328 2.040
181 HA2 GLY 22 HA2 GLY 22 18.822 -7.073 2.821
182 HA3 GLY 22 HA1 GLY 22 17.386 -8.089 2.734
183 HN1 NH2 23 HT1 GLY 22 18.577 -7.930 -1.096
184 HN2 NH2 23 HT2 GLY 22 17.664 -6.703 -0.282
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 -15.363 5.823 1.210
2 H2 PHE 1 HT2 PHE 1 -13.676 5.985 1.091
3 H3 PHE 1 HT3 PHE 1 -14.360 5.117 2.382
4 HA PHE 1 HA PHE 1 -14.045 3.289 1.187
5 HB2 PHE 1 HB2 PHE 1 -16.447 3.575 0.855
6 HB3 PHE 1 HB1 PHE 1 -16.156 4.615 -0.539
7 HD1 PHE 1 HD1 PHE 1 -15.603 1.165 0.776
8 HD2 PHE 1 HD2 PHE 1 -15.806 3.691 -2.694
9 HE1 PHE 1 HE1 PHE 1 -15.490 -0.834 -0.688
10 HE2 PHE 1 HE2 PHE 1 -15.692 1.692 -4.156
11 HZ PHE 1 HZ PHE 1 -15.534 -0.571 -3.153
12 H ILE 2 HN ILE 2 -14.102 6.150 -0.895
13 HA ILE 2 HA ILE 2 -12.678 4.996 -3.060
14 HB ILE 2 HB ILE 2 -12.323 7.345 -3.777
15 HG12 ILE 2 HG12 ILE 2 -13.738 8.018 -1.176
16 HG13 ILE 2 HG11 ILE 2 -12.025 8.294 -1.485
17 HG21 ILE 2 HG21 ILE 2 -14.464 6.069 -4.169
18 HG22 ILE 2 HG22 ILE 2 -14.661 7.821 -4.148
19 HG23 ILE 2 HG23 ILE 2 -15.131 6.862 -2.742
20 HD11 ILE 2 HD11 ILE 2 -13.243 10.360 -1.910
21 HD12 ILE 2 HD12 ILE 2 -14.345 9.521 -3.001
22 HD13 ILE 2 HD13 ILE 2 -12.649 9.719 -3.441
23 H HIS 3 HN HIS 3 -11.649 6.652 -0.117
24 HA HIS 3 HA HIS 3 -8.984 7.148 -0.795
25 HB2 HIS 3 HB2 HIS 3 -8.534 7.229 1.582
26 HB3 HIS 3 HB1 HIS 3 -10.104 7.966 1.272
27 HD2 HIS 3 HD2 HIS 3 -8.636 5.272 3.517
28 HE1 HIS 3 HE1 HIS 3 -12.791 4.530 3.400
29 HE2 HIS 3 HE2 HIS 3 -10.624 3.969 4.598
30 H HIS 4 HN HIS 4 -10.458 4.203 0.596
31 HA HIS 4 HA HIS 4 -8.204 2.736 1.074
32 HB2 HIS 4 HB2 HIS 4 -10.943 1.884 0.152
33 HB3 HIS 4 HB1 HIS 4 -9.687 0.713 0.547
34 HD2 HIS 4 HD2 HIS 4 -12.526 2.008 2.417
35 HE1 HIS 4 HE1 HIS 4 -9.446 2.071 5.301
36 HE2 HIS 4 HE2 HIS 4 -11.959 2.189 4.959
37 H ILE 5 HN ILE 5 -9.787 3.136 -2.126
38 HA ILE 5 HA ILE 5 -8.322 1.135 -3.437
39 HB ILE 5 HB ILE 5 -9.341 3.755 -4.554
40 HG12 ILE 5 HG12 ILE 5 -10.985 2.141 -3.293
41 HG13 ILE 5 HG11 ILE 5 -11.444 2.768 -4.870
42 HG21 ILE 5 HG21 ILE 5 -9.520 2.258 -6.653
43 HG22 ILE 5 HG22 ILE 5 -8.412 1.176 -5.810
44 HG23 ILE 5 HG23 ILE 5 -7.918 2.827 -6.183
45 HD11 ILE 5 HD11 ILE 5 -11.010 0.721 -5.950
46 HD12 ILE 5 HD12 ILE 5 -11.743 0.225 -4.427
47 HD13 ILE 5 HD13 ILE 5 -9.998 0.127 -4.637
48 H PHE 6 HN PHE 6 -7.650 4.623 -3.103
49 HA PHE 6 HA PHE 6 -5.159 4.494 -4.505
50 HB2 PHE 6 HB2 PHE 6 -6.373 6.563 -2.668
51 HB3 PHE 6 HB1 PHE 6 -4.809 6.773 -3.455
52 HD1 PHE 6 HD2 PHE 6 -4.667 6.706 -5.972
53 HD2 PHE 6 HD1 PHE 6 -8.413 6.861 -3.876
54 HE1 PHE 6 HE2 PHE 6 -5.802 7.435 -8.053
55 HE2 PHE 6 HE1 PHE 6 -9.548 7.588 -5.956
56 HZ PHE 6 HZ PHE 6 -8.242 7.877 -8.045
57 H ARG 7 HN ARG 7 -6.116 4.393 -1.118
58 HA ARG 7 HA ARG 7 -3.555 4.556 0.041
59 HB2 ARG 7 HB2 ARG 7 -5.804 4.769 1.212
60 HB3 ARG 7 HB1 ARG 7 -5.890 3.011 1.164
61 HG2 ARG 7 HG2 ARG 7 -4.890 3.298 3.243
62 HG3 ARG 7 HG1 ARG 7 -3.452 3.178 2.233
63 HD2 ARG 7 HD2 ARG 7 -3.445 5.690 2.065
64 HD3 ARG 7 HD1 ARG 7 -4.777 5.723 3.215
65 HE ARG 7 HE ARG 7 -2.451 4.254 4.131
66 HH11 ARG 7 HH21 ARG 7 -4.080 7.298 3.897
67 HH12 ARG 7 HH22 ARG 7 -3.249 8.002 5.243
68 HH21 ARG 7 HH11 ARG 7 -1.351 5.174 5.892
69 HH22 ARG 7 HH12 ARG 7 -1.703 6.801 6.373
70 H GLY 8 HN GLY 8 -5.405 1.805 -1.188
71 HA2 GLY 8 HA2 GLY 8 -3.713 -0.232 -0.147
72 HA3 GLY 8 HA1 GLY 8 -4.856 -0.408 -1.474
73 H ILE 9 HN ILE 9 -3.676 1.700 -3.089
74 HA ILE 9 HA ILE 9 -1.826 0.177 -4.579
75 HB ILE 9 HB ILE 9 -2.399 3.147 -4.585
76 HG12 ILE 9 HG12 ILE 9 -4.202 1.341 -5.207
77 HG13 ILE 9 HG11 ILE 9 -3.979 2.730 -6.261
78 HG21 ILE 9 HG21 ILE 9 -1.408 2.929 -6.965
79 HG22 ILE 9 HG22 ILE 9 -0.669 1.443 -6.372
80 HG23 ILE 9 HG23 ILE 9 -0.283 2.985 -5.609
81 HD11 ILE 9 HD11 ILE 9 -2.861 1.471 -7.899
82 HD12 ILE 9 HD12 ILE 9 -4.103 0.357 -7.333
83 HD13 ILE 9 HD13 ILE 9 -2.444 0.183 -6.774
84 H VAL 10 HN VAL 10 -1.302 2.970 -2.427
85 HA VAL 10 HA VAL 10 1.525 2.951 -2.704
86 HB VAL 10 HB VAL 10 0.436 4.966 -1.962
87 HG11 VAL 10 HG11 VAL 10 -0.670 5.063 0.258
88 HG12 VAL 10 HG12 VAL 10 -0.454 3.320 0.423
89 HG13 VAL 10 HG13 VAL 10 -1.488 3.967 -0.851
90 HG21 VAL 10 HG21 VAL 10 1.905 3.881 0.452
91 HG22 VAL 10 HG22 VAL 10 1.869 5.543 -0.143
92 HG23 VAL 10 HG23 VAL 10 2.739 4.302 -1.045
93 H HIS 11 HN HIS 11 -0.680 1.392 -0.437
94 HA HIS 11 HA HIS 11 1.290 0.471 1.389
95 HB2 HIS 11 HB2 HIS 11 -1.176 0.540 1.838
96 HB3 HIS 11 HB1 HIS 11 -1.368 -0.822 0.734
97 HD2 HIS 11 HD2 HIS 11 -0.001 -0.111 4.340
98 HE1 HIS 11 HE1 HIS 11 0.225 -4.270 3.660
99 HE2 HIS 11 HE2 HIS 11 0.478 -2.445 5.407
100 H ALA 12 HN ALA 12 -0.233 -0.998 -1.461
101 HA ALA 12 HA ALA 12 0.971 -3.524 -1.332
102 HB1 ALA 12 HB1 ALA 12 -0.893 -2.793 -2.877
103 HB2 ALA 12 HB2 ALA 12 0.373 -3.752 -3.645
104 HB3 ALA 12 HB3 ALA 12 0.334 -2.003 -3.867
105 H GLY 13 HN GLY 13 2.253 -0.430 -2.183
106 HA2 GLY 13 HA2 GLY 13 4.564 -1.424 -3.620
107 HA3 GLY 13 HA1 GLY 13 4.293 0.234 -3.092
108 H ARG 14 HN ARG 14 3.685 -0.539 -0.381
109 HA ARG 14 HA ARG 14 6.311 -0.419 0.730
110 HB2 ARG 14 HB2 ARG 14 3.648 -0.943 2.072
111 HB3 ARG 14 HB1 ARG 14 5.148 -0.580 2.919
112 HG2 ARG 14 HG2 ARG 14 4.103 1.290 0.794
113 HG3 ARG 14 HG1 ARG 14 3.480 1.369 2.439
114 HD2 ARG 14 HD2 ARG 14 6.393 1.661 1.630
115 HD3 ARG 14 HD1 ARG 14 5.326 2.957 2.146
116 HE ARG 14 HE ARG 14 6.586 0.971 3.854
117 HH11 ARG 14 HH21 ARG 14 4.088 3.327 3.436
118 HH12 ARG 14 HH22 ARG 14 3.865 3.594 5.134
119 HH21 ARG 14 HH11 ARG 14 6.301 1.315 6.081
120 HH22 ARG 14 HH12 ARG 14 5.118 2.454 6.631
121 H SER 15 HN SER 15 3.893 -3.015 0.522
122 HA SER 15 HA SER 15 5.332 -4.903 2.077
123 HB2 SER 15 HB2 SER 15 3.810 -6.559 1.083
124 HB3 SER 15 HB1 SER 15 2.933 -5.125 1.610
125 HG SER 15 HG SER 15 3.751 -4.689 -0.861
126 H ILE 16 HN ILE 16 5.001 -4.551 -1.438
127 HA ILE 16 HA ILE 16 6.783 -6.649 -2.120
128 HB ILE 16 HB ILE 16 5.122 -5.617 -3.680
129 HG12 ILE 16 HG12 ILE 16 7.958 -5.478 -4.742
130 HG13 ILE 16 HG11 ILE 16 7.126 -6.996 -4.413
131 HG21 ILE 16 HG21 ILE 16 5.821 -3.251 -2.956
132 HG22 ILE 16 HG22 ILE 16 5.511 -3.503 -4.670
133 HG23 ILE 16 HG23 ILE 16 7.171 -3.434 -4.075
134 HD11 ILE 16 HD11 ILE 16 5.884 -4.883 -6.177
135 HD12 ILE 16 HD12 ILE 16 5.493 -6.599 -6.079
136 HD13 ILE 16 HD13 ILE 16 7.004 -6.081 -6.825
137 H GLY 17 HN GLY 17 7.264 -3.177 -1.657
138 HA2 GLY 17 HA2 GLY 17 9.994 -3.093 -2.433
139 HA3 GLY 17 HA1 GLY 17 9.168 -1.903 -1.432
140 H ARG 18 HN ARG 18 8.347 -3.809 0.576
141 HA ARG 18 HA ARG 18 10.541 -3.625 2.337
142 HB2 ARG 18 HB2 ARG 18 8.187 -3.806 3.086
143 HB3 ARG 18 HB1 ARG 18 8.153 -5.478 2.536
144 HG2 ARG 18 HG2 ARG 18 8.577 -5.407 4.944
145 HG3 ARG 18 HG1 ARG 18 10.007 -6.012 4.113
146 HD2 ARG 18 HD2 ARG 18 11.224 -4.063 4.509
147 HD3 ARG 18 HD1 ARG 18 9.781 -3.060 4.639
148 HE ARG 18 HE ARG 18 9.967 -5.003 6.753
149 HH11 ARG 18 HH21 ARG 18 11.034 -1.924 5.588
150 HH12 ARG 18 HH22 ARG 18 11.370 -1.289 7.165
151 HH21 ARG 18 HH11 ARG 18 10.403 -4.176 8.824
152 HH22 ARG 18 HH12 ARG 18 11.011 -2.563 8.997
153 H PHE 19 HN PHE 19 9.293 -6.383 0.466
154 HA PHE 19 HA PHE 19 11.137 -8.292 1.442
155 HB2 PHE 19 HB2 PHE 19 9.560 -8.151 -1.131
156 HB3 PHE 19 HB1 PHE 19 10.575 -9.526 -0.696
157 HD1 PHE 19 HD2 PHE 19 10.196 -10.512 1.713
158 HD2 PHE 19 HD1 PHE 19 7.325 -8.119 -0.402
159 HE1 PHE 19 HE2 PHE 19 8.386 -11.414 3.149
160 HE2 PHE 19 HE1 PHE 19 5.515 -9.020 1.034
161 HZ PHE 19 HZ PHE 19 6.046 -10.668 2.810
162 H LEU 20 HN LEU 20 11.314 -5.918 -1.133
163 HA LEU 20 HA LEU 20 13.540 -6.880 -2.530
164 HB2 LEU 20 HB2 LEU 20 12.087 -4.980 -3.255
165 HB3 LEU 20 HB1 LEU 20 12.840 -3.980 -2.016
166 HG LEU 20 HG LEU 20 15.063 -4.400 -3.074
167 HD11 LEU 20 HD11 LEU 20 14.962 -6.388 -4.283
168 HD12 LEU 20 HD12 LEU 20 14.754 -5.222 -5.584
169 HD13 LEU 20 HD13 LEU 20 13.349 -6.050 -4.915
170 HD21 LEU 20 HD21 LEU 20 14.520 -3.055 -5.193
171 HD22 LEU 20 HD22 LEU 20 14.001 -2.351 -3.662
172 HD23 LEU 20 HD23 LEU 20 12.831 -3.166 -4.700
173 H THR 21 HN THR 21 13.317 -5.028 0.454
174 HA THR 21 HA THR 21 15.913 -4.129 0.742
175 HB THR 21 HB THR 21 13.847 -3.884 2.321
176 HG1 THR 21 HG1 THR 21 16.109 -4.196 3.854
177 HG21 THR 21 HG21 THR 21 13.977 -6.465 2.777
178 HG22 THR 21 HG22 THR 21 13.636 -5.371 4.119
179 HG23 THR 21 HG23 THR 21 15.260 -6.020 3.898
180 H GLY 22 HN GLY 22 17.849 -4.981 1.356
181 HA2 GLY 22 HA2 GLY 22 19.414 -6.575 1.996
182 HA3 GLY 22 HA1 GLY 22 18.096 -7.702 2.304
183 HN1 NH2 23 HT1 GLY 22 18.273 -7.641 -1.707
184 HN2 NH2 23 HT2 GLY 22 17.490 -6.451 -0.723
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 -14.563 3.641 1.762
2 H2 PHE 1 HT2 PHE 1 -14.782 4.927 0.675
3 H3 PHE 1 HT3 PHE 1 -13.239 4.600 1.308
4 HA PHE 1 HA PHE 1 -13.420 2.345 0.211
5 HB2 PHE 1 HB2 PHE 1 -15.651 3.859 -1.176
6 HB3 PHE 1 HB1 PHE 1 -14.966 2.340 -1.753
7 HD1 PHE 1 HD1 PHE 1 -15.132 0.277 -0.316
8 HD2 PHE 1 HD2 PHE 1 -17.222 3.911 0.619
9 HE1 PHE 1 HE1 PHE 1 -16.628 -0.977 1.214
10 HE2 PHE 1 HE2 PHE 1 -18.717 2.657 2.149
11 HZ PHE 1 HZ PHE 1 -18.420 0.213 2.447
12 H ILE 2 HN ILE 2 -14.012 5.586 -1.174
13 HA ILE 2 HA ILE 2 -12.362 5.431 -3.386
14 HB ILE 2 HB ILE 2 -12.994 7.777 -1.583
15 HG12 ILE 2 HG12 ILE 2 -14.447 8.382 -3.561
16 HG13 ILE 2 HG11 ILE 2 -14.047 6.817 -4.263
17 HG21 ILE 2 HG21 ILE 2 -10.995 8.442 -2.657
18 HG22 ILE 2 HG22 ILE 2 -12.274 9.111 -3.670
19 HG23 ILE 2 HG23 ILE 2 -11.434 7.639 -4.164
20 HD11 ILE 2 HD11 ILE 2 -15.237 5.635 -2.637
21 HD12 ILE 2 HD12 ILE 2 -16.240 7.065 -2.850
22 HD13 ILE 2 HD13 ILE 2 -15.155 6.951 -1.466
23 H HIS 3 HN HIS 3 -11.484 6.222 -0.016
24 HA HIS 3 HA HIS 3 -8.742 6.756 -0.630
25 HB2 HIS 3 HB2 HIS 3 -8.616 6.255 1.991
26 HB3 HIS 3 HB1 HIS 3 -9.352 7.735 1.375
27 HD2 HIS 3 HD2 HIS 3 -12.224 7.774 1.478
28 HE1 HIS 3 HE1 HIS 3 -12.562 4.306 3.860
29 HE2 HIS 3 HE2 HIS 3 -13.826 6.295 2.914
30 H HIS 4 HN HIS 4 -10.464 3.906 0.680
31 HA HIS 4 HA HIS 4 -8.409 2.233 1.240
32 HB2 HIS 4 HB2 HIS 4 -11.055 1.660 -0.082
33 HB3 HIS 4 HB1 HIS 4 -9.960 0.368 0.405
34 HD2 HIS 4 HD2 HIS 4 -12.298 -0.047 2.295
35 HE1 HIS 4 HE1 HIS 4 -10.779 2.856 4.958
36 HE2 HIS 4 HE2 HIS 4 -12.423 0.936 4.710
37 H ILE 5 HN ILE 5 -9.847 2.488 -2.066
38 HA ILE 5 HA ILE 5 -8.072 0.677 -3.277
39 HB ILE 5 HB ILE 5 -10.083 1.298 -4.419
40 HG12 ILE 5 HG12 ILE 5 -7.887 2.694 -5.958
41 HG13 ILE 5 HG11 ILE 5 -7.936 0.940 -5.782
42 HG21 ILE 5 HG21 ILE 5 -9.033 4.141 -4.522
43 HG22 ILE 5 HG22 ILE 5 -10.249 3.573 -3.384
44 HG23 ILE 5 HG23 ILE 5 -10.593 3.571 -5.108
45 HD11 ILE 5 HD11 ILE 5 -10.162 2.642 -6.944
46 HD12 ILE 5 HD12 ILE 5 -10.171 0.883 -6.804
47 HD13 ILE 5 HD13 ILE 5 -9.023 1.677 -7.882
48 H PHE 6 HN PHE 6 -7.863 4.236 -2.974
49 HA PHE 6 HA PHE 6 -5.420 4.464 -4.419
50 HB2 PHE 6 HB2 PHE 6 -7.115 6.227 -2.724
51 HB3 PHE 6 HB1 PHE 6 -5.427 6.707 -2.870
52 HD1 PHE 6 HD2 PHE 6 -4.446 6.615 -5.319
53 HD2 PHE 6 HD1 PHE 6 -8.628 6.929 -4.389
54 HE1 PHE 6 HE2 PHE 6 -4.878 7.544 -7.578
55 HE2 PHE 6 HE1 PHE 6 -9.060 7.858 -6.647
56 HZ PHE 6 HZ PHE 6 -7.187 8.165 -8.242
57 H ARG 7 HN ARG 7 -6.145 4.323 -0.965
58 HA ARG 7 HA ARG 7 -3.463 4.564 -0.067
59 HB2 ARG 7 HB2 ARG 7 -5.909 3.414 1.281
60 HB3 ARG 7 HB1 ARG 7 -4.356 3.632 2.086
61 HG2 ARG 7 HG2 ARG 7 -4.464 6.077 1.422
62 HG3 ARG 7 HG1 ARG 7 -6.118 5.786 0.892
63 HD2 ARG 7 HD2 ARG 7 -5.080 5.254 3.687
64 HD3 ARG 7 HD1 ARG 7 -6.016 6.668 3.213
65 HE ARG 7 HE ARG 7 -7.466 4.386 2.456
66 HH11 ARG 7 HH21 ARG 7 -6.297 5.991 5.290
67 HH12 ARG 7 HH22 ARG 7 -7.585 5.433 6.305
68 HH21 ARG 7 HH11 ARG 7 -9.158 3.650 3.782
69 HH22 ARG 7 HH12 ARG 7 -9.205 4.109 5.452
70 H GLY 8 HN GLY 8 -5.455 1.797 -0.972
71 HA2 GLY 8 HA2 GLY 8 -3.844 -0.257 0.110
72 HA3 GLY 8 HA1 GLY 8 -4.958 -0.422 -1.241
73 H ILE 9 HN ILE 9 -3.733 1.508 -2.941
74 HA ILE 9 HA ILE 9 -1.794 -0.121 -4.228
75 HB ILE 9 HB ILE 9 -2.520 2.795 -4.603
76 HG12 ILE 9 HG12 ILE 9 -3.114 0.396 -6.356
77 HG13 ILE 9 HG11 ILE 9 -4.219 0.952 -5.101
78 HG21 ILE 9 HG21 ILE 9 -0.315 2.609 -5.475
79 HG22 ILE 9 HG22 ILE 9 -1.369 2.393 -6.871
80 HG23 ILE 9 HG23 ILE 9 -0.618 0.992 -6.108
81 HD11 ILE 9 HD11 ILE 9 -3.185 2.926 -7.124
82 HD12 ILE 9 HD12 ILE 9 -4.697 2.945 -6.215
83 HD13 ILE 9 HD13 ILE 9 -4.497 1.833 -7.568
84 H VAL 10 HN VAL 10 -1.526 2.821 -2.254
85 HA VAL 10 HA VAL 10 1.295 3.049 -2.450
86 HB VAL 10 HB VAL 10 -0.641 4.082 -0.366
87 HG11 VAL 10 HG11 VAL 10 2.312 4.558 -0.806
88 HG12 VAL 10 HG12 VAL 10 1.497 4.082 0.684
89 HG13 VAL 10 HG13 VAL 10 1.296 5.716 0.052
90 HG21 VAL 10 HG21 VAL 10 -0.453 6.175 -1.599
91 HG22 VAL 10 HG22 VAL 10 -0.923 4.898 -2.721
92 HG23 VAL 10 HG23 VAL 10 0.745 5.468 -2.683
93 H HIS 11 HN HIS 11 -0.828 1.578 -0.017
94 HA HIS 11 HA HIS 11 1.256 0.779 1.744
95 HB2 HIS 11 HB2 HIS 11 -1.092 0.953 2.459
96 HB3 HIS 11 HB1 HIS 11 -1.514 -0.388 1.396
97 HD2 HIS 11 HD2 HIS 11 0.264 0.202 4.838
98 HE1 HIS 11 HE1 HIS 11 0.101 -3.960 4.159
99 HE2 HIS 11 HE2 HIS 11 0.668 -2.165 5.862
100 H ALA 12 HN ALA 12 -0.575 -0.992 -0.749
101 HA ALA 12 HA ALA 12 0.814 -3.444 -0.432
102 HB1 ALA 12 HB1 ALA 12 -0.612 -2.398 -2.888
103 HB2 ALA 12 HB2 ALA 12 -1.398 -3.227 -1.544
104 HB3 ALA 12 HB3 ALA 12 -0.218 -4.080 -2.539
105 H GLY 13 HN GLY 13 1.417 -0.553 -2.311
106 HA2 GLY 13 HA2 GLY 13 3.476 -1.722 -3.955
107 HA3 GLY 13 HA1 GLY 13 3.102 -0.006 -3.816
108 H ARG 14 HN ARG 14 3.499 0.618 -1.277
109 HA ARG 14 HA ARG 14 6.220 0.963 -0.967
110 HB2 ARG 14 HB2 ARG 14 4.494 2.196 0.325
111 HB3 ARG 14 HB1 ARG 14 4.211 0.745 1.288
112 HG2 ARG 14 HG2 ARG 14 6.552 0.771 2.047
113 HG3 ARG 14 HG1 ARG 14 6.867 2.195 1.054
114 HD2 ARG 14 HD2 ARG 14 5.197 3.468 2.343
115 HD3 ARG 14 HD1 ARG 14 4.867 2.046 3.328
116 HE ARG 14 HE ARG 14 7.599 2.487 3.523
117 HH11 ARG 14 HH21 ARG 14 4.657 4.190 4.174
118 HH12 ARG 14 HH22 ARG 14 5.316 5.105 5.490
119 HH21 ARG 14 HH11 ARG 14 8.469 3.682 5.248
120 HH22 ARG 14 HH12 ARG 14 7.474 4.817 6.097
121 H SER 15 HN SER 15 4.241 -1.745 0.036
122 HA SER 15 HA SER 15 6.094 -3.014 1.759
123 HB2 SER 15 HB2 SER 15 4.738 -5.015 1.438
124 HB3 SER 15 HB1 SER 15 3.698 -3.609 1.644
125 HG SER 15 HG SER 15 2.881 -4.179 -0.200
126 H ILE 16 HN ILE 16 5.701 -2.999 -1.706
127 HA ILE 16 HA ILE 16 7.199 -5.222 -2.452
128 HB ILE 16 HB ILE 16 5.937 -3.415 -3.915
129 HG12 ILE 16 HG12 ILE 16 7.619 -4.111 -5.872
130 HG13 ILE 16 HG11 ILE 16 8.289 -5.160 -4.625
131 HG21 ILE 16 HG21 ILE 16 7.285 -1.755 -4.950
132 HG22 ILE 16 HG22 ILE 16 8.776 -2.474 -4.341
133 HG23 ILE 16 HG23 ILE 16 7.685 -1.647 -3.240
134 HD11 ILE 16 HD11 ILE 16 5.425 -5.115 -5.623
135 HD12 ILE 16 HD12 ILE 16 5.966 -6.060 -4.238
136 HD13 ILE 16 HD13 ILE 16 6.606 -6.406 -5.843
137 H GLY 17 HN GLY 17 8.335 -2.011 -1.503
138 HA2 GLY 17 HA2 GLY 17 11.073 -2.410 -2.109
139 HA3 GLY 17 HA1 GLY 17 10.429 -1.205 -1.003
140 H ARG 18 HN ARG 18 9.200 -2.853 0.864
141 HA ARG 18 HA ARG 18 11.400 -3.561 2.515
142 HB2 ARG 18 HB2 ARG 18 9.080 -2.853 3.286
143 HB3 ARG 18 HB1 ARG 18 8.549 -4.484 2.890
144 HG2 ARG 18 HG2 ARG 18 9.108 -4.790 5.127
145 HG3 ARG 18 HG1 ARG 18 10.654 -5.181 4.379
146 HD2 ARG 18 HD2 ARG 18 11.383 -2.826 4.718
147 HD3 ARG 18 HD1 ARG 18 9.855 -2.486 5.524
148 HE ARG 18 HE ARG 18 12.095 -4.010 6.605
149 HH11 ARG 18 HH21 ARG 18 8.751 -3.143 6.793
150 HH12 ARG 18 HH22 ARG 18 8.600 -3.540 8.472
151 HH21 ARG 18 HH11 ARG 18 11.906 -4.533 8.806
152 HH22 ARG 18 HH12 ARG 18 10.386 -4.328 9.612
153 H PHE 19 HN PHE 19 9.090 -5.503 0.641
154 HA PHE 19 HA PHE 19 9.952 -8.045 1.477
155 HB2 PHE 19 HB2 PHE 19 7.858 -7.662 0.240
156 HB3 PHE 19 HB1 PHE 19 8.787 -7.232 -1.198
157 HD1 PHE 19 HD2 PHE 19 8.081 -9.983 1.208
158 HD2 PHE 19 HD1 PHE 19 9.739 -8.905 -2.606
159 HE1 PHE 19 HE2 PHE 19 8.270 -12.383 0.611
160 HE2 PHE 19 HE1 PHE 19 9.928 -11.305 -3.203
161 HZ PHE 19 HZ PHE 19 9.194 -13.044 -1.593
162 H LEU 20 HN LEU 20 11.126 -5.897 -1.064
163 HA LEU 20 HA LEU 20 12.822 -7.704 -2.384
164 HB2 LEU 20 HB2 LEU 20 12.812 -4.712 -2.084
165 HB3 LEU 20 HB1 LEU 20 14.129 -5.509 -2.936
166 HG LEU 20 HG LEU 20 11.214 -5.995 -3.617
167 HD11 LEU 20 HD11 LEU 20 11.781 -4.429 -5.593
168 HD12 LEU 20 HD12 LEU 20 13.124 -3.870 -4.597
169 HD13 LEU 20 HD13 LEU 20 11.466 -3.677 -4.031
170 HD21 LEU 20 HD21 LEU 20 12.440 -7.708 -4.645
171 HD22 LEU 20 HD22 LEU 20 13.873 -6.706 -4.856
172 HD23 LEU 20 HD23 LEU 20 12.476 -6.479 -5.902
173 H THR 21 HN THR 21 13.373 -5.696 0.493
174 HA THR 21 HA THR 21 16.111 -5.939 0.780
175 HB THR 21 HB THR 21 15.771 -5.586 3.140
176 HG1 THR 21 HG1 THR 21 13.813 -6.005 4.094
177 HG21 THR 21 HG21 THR 21 14.275 -3.681 3.092
178 HG22 THR 21 HG22 THR 21 13.461 -4.309 1.661
179 HG23 THR 21 HG23 THR 21 15.130 -3.751 1.550
180 H GLY 22 HN GLY 22 13.728 -8.110 2.355
181 HA2 GLY 22 HA2 GLY 22 15.486 -10.409 1.817
182 HA3 GLY 22 HA1 GLY 22 15.110 -10.029 3.497
183 HN1 NH2 23 HT1 GLY 22 11.468 -10.453 1.871
184 HN2 NH2 23 HT2 GLY 22 12.447 -9.028 1.771
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 -13.159 6.651 1.062
2 H2 PHE 1 HT2 PHE 1 -14.236 5.618 1.876
3 H3 PHE 1 HT3 PHE 1 -14.788 6.588 0.593
4 HA PHE 1 HA PHE 1 -13.382 4.057 0.538
5 HB2 PHE 1 HB2 PHE 1 -15.280 5.538 -1.302
6 HB3 PHE 1 HB1 PHE 1 -14.634 3.932 -1.642
7 HD1 PHE 1 HD1 PHE 1 -15.194 2.010 -0.183
8 HD2 PHE 1 HD2 PHE 1 -16.970 5.879 0.396
9 HE1 PHE 1 HE1 PHE 1 -16.942 0.994 1.253
10 HE2 PHE 1 HE2 PHE 1 -18.718 4.863 1.832
11 HZ PHE 1 HZ PHE 1 -18.703 2.420 2.262
12 H ILE 2 HN ILE 2 -13.143 7.275 -0.854
13 HA ILE 2 HA ILE 2 -11.549 6.824 -3.066
14 HB ILE 2 HB ILE 2 -11.441 9.114 -1.086
15 HG12 ILE 2 HG12 ILE 2 -12.772 8.927 -3.807
16 HG13 ILE 2 HG11 ILE 2 -13.624 8.628 -2.292
17 HG21 ILE 2 HG21 ILE 2 -10.248 8.769 -3.851
18 HG22 ILE 2 HG22 ILE 2 -9.397 9.165 -2.357
19 HG23 ILE 2 HG23 ILE 2 -10.478 10.345 -3.095
20 HD11 ILE 2 HD11 ILE 2 -12.812 10.937 -1.542
21 HD12 ILE 2 HD12 ILE 2 -14.033 10.921 -2.814
22 HD13 ILE 2 HD13 ILE 2 -12.339 11.203 -3.221
23 H HIS 3 HN HIS 3 -10.581 7.045 0.351
24 HA HIS 3 HA HIS 3 -7.784 6.965 -0.135
25 HB2 HIS 3 HB2 HIS 3 -7.712 6.159 2.286
26 HB3 HIS 3 HB1 HIS 3 -8.481 7.720 2.003
27 HD2 HIS 3 HD2 HIS 3 -11.433 7.539 1.953
28 HE1 HIS 3 HE1 HIS 3 -11.473 3.976 4.218
29 HE2 HIS 3 HE2 HIS 3 -12.899 5.890 3.350
30 H HIS 4 HN HIS 4 -10.185 4.431 0.557
31 HA HIS 4 HA HIS 4 -8.618 2.250 0.913
32 HB2 HIS 4 HB2 HIS 4 -11.105 2.298 0.955
33 HB3 HIS 4 HB1 HIS 4 -11.100 2.289 -0.809
34 HD2 HIS 4 HD2 HIS 4 -10.770 -0.237 -1.947
35 HE1 HIS 4 HE1 HIS 4 -9.889 -2.321 1.618
36 HE2 HIS 4 HE2 HIS 4 -10.366 -2.578 -0.864
37 H ILE 5 HN ILE 5 -9.702 3.337 -2.366
38 HA ILE 5 HA ILE 5 -8.200 1.335 -3.700
39 HB ILE 5 HB ILE 5 -10.084 2.356 -4.795
40 HG12 ILE 5 HG12 ILE 5 -7.610 3.363 -6.222
41 HG13 ILE 5 HG11 ILE 5 -8.043 1.655 -6.157
42 HG21 ILE 5 HG21 ILE 5 -9.757 4.596 -3.630
43 HG22 ILE 5 HG22 ILE 5 -10.224 4.684 -5.324
44 HG23 ILE 5 HG23 ILE 5 -8.547 4.963 -4.856
45 HD11 ILE 5 HD11 ILE 5 -8.860 2.966 -8.210
46 HD12 ILE 5 HD12 ILE 5 -9.986 3.766 -7.113
47 HD13 ILE 5 HD13 ILE 5 -10.073 2.020 -7.348
48 H PHE 6 HN PHE 6 -7.497 4.793 -3.101
49 HA PHE 6 HA PHE 6 -4.988 4.723 -4.469
50 HB2 PHE 6 HB2 PHE 6 -6.424 6.650 -2.685
51 HB3 PHE 6 HB1 PHE 6 -4.692 6.886 -2.906
52 HD1 PHE 6 HD2 PHE 6 -3.880 6.632 -5.439
53 HD2 PHE 6 HD1 PHE 6 -7.858 7.702 -4.222
54 HE1 PHE 6 HE2 PHE 6 -4.273 7.684 -7.650
55 HE2 PHE 6 HE1 PHE 6 -8.253 8.753 -6.432
56 HZ PHE 6 HZ PHE 6 -6.459 8.744 -8.147
57 H ARG 7 HN ARG 7 -5.835 4.680 -1.029
58 HA ARG 7 HA ARG 7 -3.217 4.500 -0.023
59 HB2 ARG 7 HB2 ARG 7 -5.207 5.071 1.354
60 HB3 ARG 7 HB1 ARG 7 -5.733 3.390 1.239
61 HG2 ARG 7 HG2 ARG 7 -3.650 2.645 2.318
62 HG3 ARG 7 HG1 ARG 7 -3.094 4.317 2.411
63 HD2 ARG 7 HD2 ARG 7 -5.134 4.849 3.777
64 HD3 ARG 7 HD1 ARG 7 -5.518 3.130 3.788
65 HE ARG 7 HE ARG 7 -2.847 3.604 4.697
66 HH11 ARG 7 HH21 ARG 7 -6.189 3.765 5.579
67 HH12 ARG 7 HH22 ARG 7 -5.895 3.551 7.272
68 HH21 ARG 7 HH11 ARG 7 -2.452 3.322 6.914
69 HH22 ARG 7 HH12 ARG 7 -3.779 3.301 8.027
70 H GLY 8 HN GLY 8 -5.443 2.013 -1.162
71 HA2 GLY 8 HA2 GLY 8 -4.122 -0.256 -0.138
72 HA3 GLY 8 HA1 GLY 8 -5.155 -0.229 -1.563
73 H ILE 9 HN ILE 9 -3.547 1.723 -2.982
74 HA ILE 9 HA ILE 9 -1.752 -0.032 -4.318
75 HB ILE 9 HB ILE 9 -2.010 2.985 -4.387
76 HG12 ILE 9 HG12 ILE 9 -3.966 1.760 -5.238
77 HG13 ILE 9 HG11 ILE 9 -3.121 2.562 -6.553
78 HG21 ILE 9 HG21 ILE 9 -0.234 1.106 -5.939
79 HG22 ILE 9 HG22 ILE 9 0.195 2.612 -5.128
80 HG23 ILE 9 HG23 ILE 9 -0.742 2.652 -6.620
81 HD11 ILE 9 HD11 ILE 9 -3.410 0.484 -7.513
82 HD12 ILE 9 HD12 ILE 9 -3.393 -0.354 -5.964
83 HD13 ILE 9 HD13 ILE 9 -1.881 0.174 -6.694
84 H VAL 10 HN VAL 10 -1.247 2.586 -1.974
85 HA VAL 10 HA VAL 10 1.583 2.446 -1.954
86 HB VAL 10 HB VAL 10 -0.383 3.426 0.127
87 HG11 VAL 10 HG11 VAL 10 2.634 3.450 0.032
88 HG12 VAL 10 HG12 VAL 10 1.574 3.029 1.377
89 HG13 VAL 10 HG13 VAL 10 1.751 4.714 0.888
90 HG21 VAL 10 HG21 VAL 10 0.317 5.646 -0.736
91 HG22 VAL 10 HG22 VAL 10 -0.408 4.658 -2.004
92 HG23 VAL 10 HG23 VAL 10 1.344 4.847 -1.929
93 H HIS 11 HN HIS 11 -0.892 0.953 0.110
94 HA HIS 11 HA HIS 11 0.927 -0.372 1.844
95 HB2 HIS 11 HB2 HIS 11 -1.444 0.032 2.414
96 HB3 HIS 11 HB1 HIS 11 -1.929 -1.109 1.160
97 HD2 HIS 11 HD2 HIS 11 0.188 -1.256 4.532
98 HE1 HIS 11 HE1 HIS 11 -1.389 -5.086 3.714
99 HE2 HIS 11 HE2 HIS 11 -0.064 -3.710 5.388
100 H ALA 12 HN ALA 12 -0.874 -1.464 -1.025
101 HA ALA 12 HA ALA 12 0.053 -4.131 -1.000
102 HB1 ALA 12 HB1 ALA 12 -0.851 -2.437 -3.340
103 HB2 ALA 12 HB2 ALA 12 -1.898 -3.409 -2.306
104 HB3 ALA 12 HB3 ALA 12 -0.705 -4.194 -3.338
105 H GLY 13 HN GLY 13 1.429 -1.158 -2.217
106 HA2 GLY 13 HA2 GLY 13 3.515 -2.476 -3.756
107 HA3 GLY 13 HA1 GLY 13 3.360 -0.746 -3.469
108 H ARG 14 HN ARG 14 3.121 -0.956 -0.643
109 HA ARG 14 HA ARG 14 5.755 -0.637 0.182
110 HB2 ARG 14 HB2 ARG 14 3.647 0.052 1.439
111 HB3 ARG 14 HB1 ARG 14 3.561 -1.612 2.014
112 HG2 ARG 14 HG2 ARG 14 4.811 -0.689 3.742
113 HG3 ARG 14 HG1 ARG 14 6.122 -1.158 2.662
114 HD2 ARG 14 HD2 ARG 14 6.551 1.108 3.318
115 HD3 ARG 14 HD1 ARG 14 5.978 1.171 1.655
116 HE ARG 14 HE ARG 14 3.809 1.439 3.494
117 HH11 ARG 14 HH21 ARG 14 6.507 3.088 2.090
118 HH12 ARG 14 HH22 ARG 14 5.806 4.663 2.255
119 HH21 ARG 14 HH11 ARG 14 2.884 3.500 3.715
120 HH22 ARG 14 HH12 ARG 14 3.754 4.897 3.174
121 H SER 15 HN SER 15 3.789 -3.567 0.139
122 HA SER 15 HA SER 15 5.495 -5.219 1.668
123 HB2 SER 15 HB2 SER 15 3.607 -5.922 -0.589
124 HB3 SER 15 HB1 SER 15 4.355 -7.092 0.496
125 HG SER 15 HG SER 15 2.928 -4.880 1.503
126 H ILE 16 HN ILE 16 5.378 -4.503 -1.789
127 HA ILE 16 HA ILE 16 7.428 -6.312 -2.575
128 HB ILE 16 HB ILE 16 6.371 -3.791 -3.873
129 HG12 ILE 16 HG12 ILE 16 5.393 -5.463 -5.455
130 HG13 ILE 16 HG11 ILE 16 6.034 -6.756 -4.442
131 HG21 ILE 16 HG21 ILE 16 8.586 -3.981 -4.725
132 HG22 ILE 16 HG22 ILE 16 7.565 -4.765 -5.931
133 HG23 ILE 16 HG23 ILE 16 8.492 -5.741 -4.792
134 HD11 ILE 16 HD11 ILE 16 3.551 -5.948 -4.112
135 HD12 ILE 16 HD12 ILE 16 4.299 -4.638 -3.202
136 HD13 ILE 16 HD13 ILE 16 4.545 -6.313 -2.703
137 H GLY 17 HN GLY 17 7.479 -2.868 -1.706
138 HA2 GLY 17 HA2 GLY 17 10.229 -2.437 -2.179
139 HA3 GLY 17 HA1 GLY 17 9.208 -1.463 -1.129
140 H ARG 18 HN ARG 18 8.458 -3.446 0.725
141 HA ARG 18 HA ARG 18 10.675 -3.384 2.493
142 HB2 ARG 18 HB2 ARG 18 8.315 -3.466 3.250
143 HB3 ARG 18 HB1 ARG 18 8.196 -5.117 2.644
144 HG2 ARG 18 HG2 ARG 18 10.002 -5.818 4.174
145 HG3 ARG 18 HG1 ARG 18 10.133 -4.164 4.775
146 HD2 ARG 18 HD2 ARG 18 7.789 -4.266 5.546
147 HD3 ARG 18 HD1 ARG 18 7.667 -5.921 4.955
148 HE ARG 18 HE ARG 18 9.061 -5.028 7.352
149 HH11 ARG 18 HH21 ARG 18 8.577 -7.492 4.971
150 HH12 ARG 18 HH22 ARG 18 9.173 -8.772 5.976
151 HH21 ARG 18 HH11 ARG 18 9.844 -6.700 8.674
152 HH22 ARG 18 HH12 ARG 18 9.890 -8.323 8.071
153 H PHE 19 HN PHE 19 9.248 -5.980 0.531
154 HA PHE 19 HA PHE 19 10.996 -8.034 1.405
155 HB2 PHE 19 HB2 PHE 19 9.139 -7.641 -0.922
156 HB3 PHE 19 HB1 PHE 19 10.294 -8.971 -0.992
157 HD1 PHE 19 HD2 PHE 19 8.235 -7.441 1.759
158 HD2 PHE 19 HD1 PHE 19 9.282 -10.998 -0.411
159 HE1 PHE 19 HE2 PHE 19 6.781 -8.781 3.255
160 HE2 PHE 19 HE1 PHE 19 7.829 -12.337 1.085
161 HZ PHE 19 HZ PHE 19 6.577 -11.229 2.918
162 H LEU 20 HN LEU 20 11.213 -5.606 -1.142
163 HA LEU 20 HA LEU 20 13.412 -6.669 -2.530
164 HB2 LEU 20 HB2 LEU 20 12.043 -4.830 -3.418
165 HB3 LEU 20 HB1 LEU 20 12.624 -3.767 -2.138
166 HG LEU 20 HG LEU 20 14.934 -3.996 -2.986
167 HD11 LEU 20 HD11 LEU 20 15.110 -6.106 -3.990
168 HD12 LEU 20 HD12 LEU 20 15.039 -5.048 -5.397
169 HD13 LEU 20 HD13 LEU 20 13.597 -5.922 -4.879
170 HD21 LEU 20 HD21 LEU 20 12.816 -3.178 -4.989
171 HD22 LEU 20 HD22 LEU 20 14.536 -2.860 -5.219
172 HD23 LEU 20 HD23 LEU 20 13.680 -2.142 -3.855
173 H THR 21 HN THR 21 13.233 -4.534 0.298
174 HA THR 21 HA THR 21 15.983 -3.952 0.492
175 HB THR 21 HB THR 21 13.889 -4.140 2.670
176 HG1 THR 21 HG1 THR 21 14.657 -2.234 0.799
177 HG21 THR 21 HG21 THR 21 15.553 -2.435 3.728
178 HG22 THR 21 HG22 THR 21 16.734 -3.148 2.629
179 HG23 THR 21 HG23 THR 21 15.927 -4.155 3.833
180 H GLY 22 HN GLY 22 14.032 -6.532 1.985
181 HA2 GLY 22 HA2 GLY 22 16.128 -8.431 1.911
182 HA3 GLY 22 HA1 GLY 22 16.035 -7.726 3.522
183 HN1 NH2 23 HT1 GLY 22 12.269 -8.970 2.895
184 HN2 NH2 23 HT2 GLY 22 12.951 -7.497 2.286
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 -13.936 5.015 2.435
2 H2 PHE 1 HT2 PHE 1 -15.018 5.811 1.394
3 H3 PHE 1 HT3 PHE 1 -13.348 5.865 1.090
4 HA PHE 1 HA PHE 1 -13.936 3.188 1.203
5 HB2 PHE 1 HB2 PHE 1 -16.317 3.717 1.035
6 HB3 PHE 1 HB1 PHE 1 -16.015 4.750 -0.363
7 HD1 PHE 1 HD2 PHE 1 -15.546 1.239 0.857
8 HD2 PHE 1 HD1 PHE 1 -16.067 3.829 -2.531
9 HE1 PHE 1 HE2 PHE 1 -15.722 -0.738 -0.628
10 HE2 PHE 1 HE1 PHE 1 -16.242 1.851 -4.015
11 HZ PHE 1 HZ PHE 1 -16.069 -0.433 -3.064
12 H ILE 2 HN ILE 2 -14.049 5.998 -0.988
13 HA ILE 2 HA ILE 2 -12.688 4.710 -3.126
14 HB ILE 2 HB ILE 2 -12.436 7.000 -4.034
15 HG12 ILE 2 HG12 ILE 2 -13.710 7.828 -1.404
16 HG13 ILE 2 HG11 ILE 2 -12.039 8.152 -1.872
17 HG21 ILE 2 HG21 ILE 2 -14.809 7.417 -4.303
18 HG22 ILE 2 HG22 ILE 2 -15.176 6.518 -2.830
19 HG23 ILE 2 HG23 ILE 2 -14.557 5.671 -4.249
20 HD11 ILE 2 HD11 ILE 2 -13.010 9.300 -3.953
21 HD12 ILE 2 HD12 ILE 2 -13.218 10.143 -2.417
22 HD13 ILE 2 HD13 ILE 2 -14.563 9.242 -3.120
23 H HIS 3 HN HIS 3 -11.634 6.604 -0.359
24 HA HIS 3 HA HIS 3 -9.006 7.147 -1.115
25 HB2 HIS 3 HB2 HIS 3 -10.173 6.559 1.615
26 HB3 HIS 3 HB1 HIS 3 -8.519 7.124 1.362
27 HD2 HIS 3 HD2 HIS 3 -11.991 8.649 1.770
28 HE1 HIS 3 HE1 HIS 3 -9.672 11.601 -0.162
29 HE2 HIS 3 HE2 HIS 3 -11.870 11.149 1.027
30 H HIS 4 HN HIS 4 -10.364 4.219 0.397
31 HA HIS 4 HA HIS 4 -8.096 2.825 0.957
32 HB2 HIS 4 HB2 HIS 4 -10.514 2.144 1.340
33 HB3 HIS 4 HB1 HIS 4 -10.511 1.542 -0.317
34 HD2 HIS 4 HD2 HIS 4 -8.880 -0.772 -0.745
35 HE1 HIS 4 HE1 HIS 4 -8.007 -1.409 3.337
36 HE2 HIS 4 HE2 HIS 4 -7.859 -2.415 1.010
37 H ILE 5 HN ILE 5 -9.605 3.123 -2.279
38 HA ILE 5 HA ILE 5 -8.023 1.179 -3.554
39 HB ILE 5 HB ILE 5 -9.140 3.738 -4.717
40 HG12 ILE 5 HG12 ILE 5 -10.898 2.537 -3.543
41 HG13 ILE 5 HG11 ILE 5 -11.124 2.338 -5.277
42 HG21 ILE 5 HG21 ILE 5 -9.209 2.446 -6.815
43 HG22 ILE 5 HG22 ILE 5 -8.460 1.074 -5.996
44 HG23 ILE 5 HG23 ILE 5 -7.563 2.579 -6.198
45 HD11 ILE 5 HD11 ILE 5 -9.707 0.143 -4.932
46 HD12 ILE 5 HD12 ILE 5 -11.414 0.154 -4.499
47 HD13 ILE 5 HD13 ILE 5 -10.188 0.328 -3.246
48 H PHE 6 HN PHE 6 -7.558 4.700 -3.215
49 HA PHE 6 HA PHE 6 -5.070 4.778 -4.599
50 HB2 PHE 6 HB2 PHE 6 -6.383 6.799 -4.344
51 HB3 PHE 6 HB1 PHE 6 -6.291 6.681 -2.587
52 HD1 PHE 6 HD1 PHE 6 -4.296 7.229 -5.678
53 HD2 PHE 6 HD2 PHE 6 -4.357 7.409 -1.387
54 HE1 PHE 6 HE1 PHE 6 -2.149 8.469 -5.701
55 HE2 PHE 6 HE2 PHE 6 -2.209 8.648 -1.409
56 HZ PHE 6 HZ PHE 6 -1.105 9.179 -3.565
57 H ARG 7 HN ARG 7 -5.944 4.668 -1.176
58 HA ARG 7 HA ARG 7 -3.316 4.739 -0.129
59 HB2 ARG 7 HB2 ARG 7 -5.879 3.631 1.029
60 HB3 ARG 7 HB1 ARG 7 -4.381 3.826 1.937
61 HG2 ARG 7 HG2 ARG 7 -4.395 6.240 1.486
62 HG3 ARG 7 HG1 ARG 7 -5.869 6.064 0.536
63 HD2 ARG 7 HD2 ARG 7 -5.617 5.316 3.462
64 HD3 ARG 7 HD1 ARG 7 -6.310 6.826 2.874
65 HE ARG 7 HE ARG 7 -7.679 4.792 1.568
66 HH11 ARG 7 HH21 ARG 7 -7.081 5.843 4.809
67 HH12 ARG 7 HH22 ARG 7 -8.580 5.237 5.429
68 HH21 ARG 7 HH11 ARG 7 -9.644 3.990 2.375
69 HH22 ARG 7 HH12 ARG 7 -10.031 4.187 4.051
70 H GLY 8 HN GLY 8 -5.381 2.080 -1.201
71 HA2 GLY 8 HA2 GLY 8 -3.899 -0.061 -0.113
72 HA3 GLY 8 HA1 GLY 8 -4.967 -0.155 -1.510
73 H ILE 9 HN ILE 9 -3.526 1.839 -3.043
74 HA ILE 9 HA ILE 9 -1.657 0.151 -4.356
75 HB ILE 9 HB ILE 9 -2.135 3.133 -4.564
76 HG12 ILE 9 HG12 ILE 9 -2.806 0.886 -6.485
77 HG13 ILE 9 HG11 ILE 9 -3.939 1.492 -5.278
78 HG21 ILE 9 HG21 ILE 9 -0.881 2.713 -6.825
79 HG22 ILE 9 HG22 ILE 9 -0.215 1.302 -6.004
80 HG23 ILE 9 HG23 ILE 9 0.071 2.917 -5.356
81 HD11 ILE 9 HD11 ILE 9 -3.785 3.747 -6.245
82 HD12 ILE 9 HD12 ILE 9 -4.289 2.586 -7.472
83 HD13 ILE 9 HD13 ILE 9 -2.623 3.167 -7.437
84 H VAL 10 HN VAL 10 -1.276 2.883 -2.127
85 HA VAL 10 HA VAL 10 1.557 2.944 -2.175
86 HB VAL 10 HB VAL 10 -0.377 3.833 -0.021
87 HG11 VAL 10 HG11 VAL 10 2.571 4.381 -0.461
88 HG12 VAL 10 HG12 VAL 10 1.832 3.603 0.938
89 HG13 VAL 10 HG13 VAL 10 1.554 5.318 0.635
90 HG21 VAL 10 HG21 VAL 10 0.093 6.087 -1.047
91 HG22 VAL 10 HG22 VAL 10 -0.788 4.990 -2.110
92 HG23 VAL 10 HG23 VAL 10 0.938 5.257 -2.353
93 H HIS 11 HN HIS 11 -0.766 1.335 -0.026
94 HA HIS 11 HA HIS 11 1.135 0.242 1.760
95 HB2 HIS 11 HB2 HIS 11 -1.665 -0.609 1.015
96 HB3 HIS 11 HB1 HIS 11 -0.720 -1.412 2.268
97 HD2 HIS 11 HD2 HIS 11 -3.319 1.189 2.293
98 HE1 HIS 11 HE1 HIS 11 -0.606 2.529 5.238
99 HE2 HIS 11 HE2 HIS 11 -2.950 2.813 4.304
100 H ALA 12 HN ALA 12 -0.451 -1.132 -1.120
101 HA ALA 12 HA ALA 12 0.757 -3.669 -1.022
102 HB1 ALA 12 HB1 ALA 12 -1.149 -3.180 -2.481
103 HB2 ALA 12 HB2 ALA 12 0.205 -3.797 -3.429
104 HB3 ALA 12 HB3 ALA 12 -0.154 -2.070 -3.426
105 H GLY 13 HN GLY 13 1.958 -0.572 -2.044
106 HA2 GLY 13 HA2 GLY 13 4.174 -1.519 -3.601
107 HA3 GLY 13 HA1 GLY 13 3.975 0.105 -2.950
108 H ARG 14 HN ARG 14 3.640 -0.560 -0.290
109 HA ARG 14 HA ARG 14 6.318 -0.646 0.619
110 HB2 ARG 14 HB2 ARG 14 3.692 -0.912 2.087
111 HB3 ARG 14 HB1 ARG 14 5.255 -0.894 2.906
112 HG2 ARG 14 HG2 ARG 14 5.767 1.301 1.989
113 HG3 ARG 14 HG1 ARG 14 4.284 1.282 1.034
114 HD2 ARG 14 HD2 ARG 14 3.991 2.609 3.094
115 HD3 ARG 14 HD1 ARG 14 2.940 1.195 3.091
116 HE ARG 14 HE ARG 14 5.426 0.627 4.383
117 HH11 ARG 14 HH21 ARG 14 2.395 2.258 4.733
118 HH12 ARG 14 HH22 ARG 14 2.344 2.088 6.457
119 HH21 ARG 14 HH11 ARG 14 5.362 0.391 6.642
120 HH22 ARG 14 HH12 ARG 14 4.024 1.031 7.536
121 H SER 15 HN SER 15 3.802 -3.151 0.499
122 HA SER 15 HA SER 15 5.165 -5.110 2.014
123 HB2 SER 15 HB2 SER 15 2.861 -5.476 1.609
124 HB3 SER 15 HB1 SER 15 3.049 -5.249 -0.126
125 HG SER 15 HG SER 15 3.818 -7.421 1.500
126 H ILE 16 HN ILE 16 5.037 -4.526 -1.474
127 HA ILE 16 HA ILE 16 6.832 -6.663 -2.130
128 HB ILE 16 HB ILE 16 6.913 -5.622 -4.384
129 HG12 ILE 16 HG12 ILE 16 5.171 -3.526 -3.061
130 HG13 ILE 16 HG11 ILE 16 6.788 -3.265 -3.707
131 HG21 ILE 16 HG21 ILE 16 4.595 -6.058 -4.911
132 HG22 ILE 16 HG22 ILE 16 4.104 -5.725 -3.249
133 HG23 ILE 16 HG23 ILE 16 5.066 -7.157 -3.615
134 HD11 ILE 16 HD11 ILE 16 5.310 -2.508 -5.411
135 HD12 ILE 16 HD12 ILE 16 4.267 -3.920 -5.234
136 HD13 ILE 16 HD13 ILE 16 5.870 -4.091 -5.948
137 H GLY 17 HN GLY 17 7.216 -3.174 -1.678
138 HA2 GLY 17 HA2 GLY 17 9.942 -3.017 -2.426
139 HA3 GLY 17 HA1 GLY 17 9.082 -1.857 -1.418
140 H ARG 18 HN ARG 18 8.323 -3.773 0.601
141 HA ARG 18 HA ARG 18 10.561 -3.576 2.321
142 HB2 ARG 18 HB2 ARG 18 8.210 -3.744 3.117
143 HB3 ARG 18 HB1 ARG 18 8.172 -5.423 2.581
144 HG2 ARG 18 HG2 ARG 18 10.072 -5.934 4.102
145 HG3 ARG 18 HG1 ARG 18 10.047 -4.263 4.665
146 HD2 ARG 18 HD2 ARG 18 7.672 -6.132 4.831
147 HD3 ARG 18 HD1 ARG 18 8.807 -5.875 6.152
148 HE ARG 18 HE ARG 18 7.887 -3.358 5.330
149 HH11 ARG 18 HH21 ARG 18 6.697 -6.305 6.698
150 HH12 ARG 18 HH22 ARG 18 5.428 -5.539 7.595
151 HH21 ARG 18 HH11 ARG 18 6.228 -2.345 6.508
152 HH22 ARG 18 HH12 ARG 18 5.163 -3.297 7.488
153 H PHE 19 HN PHE 19 9.220 -6.288 0.470
154 HA PHE 19 HA PHE 19 11.011 -8.268 1.380
155 HB2 PHE 19 HB2 PHE 19 8.836 -8.563 0.036
156 HB3 PHE 19 HB1 PHE 19 9.815 -8.221 -1.390
157 HD1 PHE 19 HD2 PHE 19 11.589 -9.766 -2.106
158 HD2 PHE 19 HD1 PHE 19 9.170 -10.588 1.347
159 HE1 PHE 19 HE2 PHE 19 12.406 -12.108 -2.092
160 HE2 PHE 19 HE1 PHE 19 9.987 -12.929 1.362
161 HZ PHE 19 HZ PHE 19 11.604 -13.688 -0.358
162 H LEU 20 HN LEU 20 11.218 -5.884 -1.198
163 HA LEU 20 HA LEU 20 13.441 -6.887 -2.572
164 HB2 LEU 20 HB2 LEU 20 12.039 -5.024 -3.398
165 HB3 LEU 20 HB1 LEU 20 12.674 -3.990 -2.121
166 HG LEU 20 HG LEU 20 14.958 -4.269 -3.032
167 HD11 LEU 20 HD11 LEU 20 13.511 -6.119 -4.911
168 HD12 LEU 20 HD12 LEU 20 15.076 -6.322 -4.124
169 HD13 LEU 20 HD13 LEU 20 14.920 -5.235 -5.500
170 HD21 LEU 20 HD21 LEU 20 13.417 -2.428 -3.786
171 HD22 LEU 20 HD22 LEU 20 12.993 -3.421 -5.181
172 HD23 LEU 20 HD23 LEU 20 14.650 -2.853 -4.972
173 H THR 21 HN THR 21 13.249 -4.813 0.307
174 HA THR 21 HA THR 21 15.982 -4.184 0.514
175 HB THR 21 HB THR 21 15.528 -3.609 2.803
176 HG1 THR 21 HG1 THR 21 13.842 -5.697 2.588
177 HG21 THR 21 HG21 THR 21 13.714 -2.112 2.523
178 HG22 THR 21 HG22 THR 21 12.891 -3.193 1.400
179 HG23 THR 21 HG23 THR 21 14.349 -2.341 0.892
180 H GLY 22 HN GLY 22 14.120 -6.914 1.827
181 HA2 GLY 22 HA2 GLY 22 14.835 -9.068 2.308
182 HA3 GLY 22 HA1 GLY 22 16.451 -8.616 1.770
183 HN1 NH2 23 HT1 GLY 22 16.197 -6.842 5.363
184 HN2 NH2 23 HT2 GLY 22 15.530 -6.219 3.892
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 -15.099 5.654 0.851
2 H2 PHE 1 HT2 PHE 1 -13.516 5.384 1.404
3 H3 PHE 1 HT3 PHE 1 -14.837 4.726 2.248
4 HA PHE 1 HA PHE 1 -14.024 2.918 1.082
5 HB2 PHE 1 HB2 PHE 1 -16.509 3.544 0.709
6 HB3 PHE 1 HB1 PHE 1 -16.005 4.053 -0.900
7 HD1 PHE 1 HD2 PHE 1 -15.495 1.158 1.441
8 HD2 PHE 1 HD1 PHE 1 -16.141 2.453 -2.605
9 HE1 PHE 1 HE2 PHE 1 -15.551 -1.207 0.692
10 HE2 PHE 1 HE1 PHE 1 -16.197 0.089 -3.353
11 HZ PHE 1 HZ PHE 1 -15.903 -1.740 -1.704
12 H ILE 2 HN ILE 2 -14.158 5.808 -0.962
13 HA ILE 2 HA ILE 2 -12.693 4.739 -3.141
14 HB ILE 2 HB ILE 2 -12.874 7.638 -2.286
15 HG12 ILE 2 HG12 ILE 2 -15.118 6.713 -2.415
16 HG13 ILE 2 HG11 ILE 2 -14.834 7.711 -3.837
17 HG21 ILE 2 HG21 ILE 2 -12.288 6.245 -4.909
18 HG22 ILE 2 HG22 ILE 2 -11.224 7.322 -4.005
19 HG23 ILE 2 HG23 ILE 2 -12.668 7.964 -4.788
20 HD11 ILE 2 HD11 ILE 2 -15.817 5.792 -4.744
21 HD12 ILE 2 HD12 ILE 2 -14.979 4.714 -3.631
22 HD13 ILE 2 HD13 ILE 2 -14.099 5.464 -4.965
23 H HIS 3 HN HIS 3 -11.706 6.539 -0.243
24 HA HIS 3 HA HIS 3 -9.042 7.000 -0.866
25 HB2 HIS 3 HB2 HIS 3 -10.327 6.308 1.782
26 HB3 HIS 3 HB1 HIS 3 -8.657 6.861 1.627
27 HD2 HIS 3 HD2 HIS 3 -8.374 9.611 0.947
28 HE1 HIS 3 HE1 HIS 3 -12.493 10.527 1.079
29 HE2 HIS 3 HE2 HIS 3 -10.161 11.516 0.903
30 H HIS 4 HN HIS 4 -10.526 4.042 0.483
31 HA HIS 4 HA HIS 4 -8.307 2.557 1.030
32 HB2 HIS 4 HB2 HIS 4 -10.932 1.696 -0.173
33 HB3 HIS 4 HB1 HIS 4 -9.719 0.560 0.410
34 HD2 HIS 4 HD2 HIS 4 -11.690 3.640 2.025
35 HE1 HIS 4 HE1 HIS 4 -10.983 0.714 4.985
36 HE2 HIS 4 HE2 HIS 4 -12.067 2.963 4.519
37 H ILE 5 HN ILE 5 -9.710 3.094 -2.215
38 HA ILE 5 HA ILE 5 -8.185 1.161 -3.567
39 HB ILE 5 HB ILE 5 -9.194 3.829 -4.581
40 HG12 ILE 5 HG12 ILE 5 -10.538 1.108 -4.634
41 HG13 ILE 5 HG11 ILE 5 -10.923 2.375 -3.471
42 HG21 ILE 5 HG21 ILE 5 -8.458 1.250 -5.999
43 HG22 ILE 5 HG22 ILE 5 -7.615 2.794 -6.126
44 HG23 ILE 5 HG23 ILE 5 -9.248 2.625 -6.769
45 HD11 ILE 5 HD11 ILE 5 -11.315 3.883 -5.541
46 HD12 ILE 5 HD12 ILE 5 -12.533 2.664 -5.171
47 HD13 ILE 5 HD13 ILE 5 -11.360 2.374 -6.455
48 H PHE 6 HN PHE 6 -7.603 4.631 -3.014
49 HA PHE 6 HA PHE 6 -5.063 4.666 -4.323
50 HB2 PHE 6 HB2 PHE 6 -6.400 6.577 -2.402
51 HB3 PHE 6 HB1 PHE 6 -4.825 6.886 -3.133
52 HD1 PHE 6 HD1 PHE 6 -8.439 6.517 -3.771
53 HD2 PHE 6 HD2 PHE 6 -4.599 7.327 -5.519
54 HE1 PHE 6 HE1 PHE 6 -9.549 7.324 -5.837
55 HE2 PHE 6 HE2 PHE 6 -5.709 8.134 -7.583
56 HZ PHE 6 HZ PHE 6 -8.184 8.134 -7.743
57 H ARG 7 HN ARG 7 -6.119 4.302 -0.990
58 HA ARG 7 HA ARG 7 -3.576 4.457 0.238
59 HB2 ARG 7 HB2 ARG 7 -5.724 4.674 1.467
60 HB3 ARG 7 HB1 ARG 7 -6.014 2.956 1.201
61 HG2 ARG 7 HG2 ARG 7 -3.965 2.387 2.421
62 HG3 ARG 7 HG1 ARG 7 -3.610 4.099 2.648
63 HD2 ARG 7 HD2 ARG 7 -6.122 2.740 3.661
64 HD3 ARG 7 HD1 ARG 7 -4.684 3.016 4.642
65 HE ARG 7 HE ARG 7 -6.659 4.975 3.925
66 HH11 ARG 7 HH21 ARG 7 -3.307 4.422 4.586
67 HH12 ARG 7 HH22 ARG 7 -3.003 6.038 5.128
68 HH21 ARG 7 HH11 ARG 7 -6.267 7.101 4.635
69 HH22 ARG 7 HH12 ARG 7 -4.680 7.554 5.155
70 H GLY 8 HN GLY 8 -5.383 1.754 -1.153
71 HA2 GLY 8 HA2 GLY 8 -3.694 -0.318 -0.171
72 HA3 GLY 8 HA1 GLY 8 -4.815 -0.440 -1.523
73 H ILE 9 HN ILE 9 -3.676 1.653 -3.115
74 HA ILE 9 HA ILE 9 -1.721 0.176 -4.532
75 HB ILE 9 HB ILE 9 -2.494 3.096 -4.662
76 HG12 ILE 9 HG12 ILE 9 -3.061 0.823 -6.584
77 HG13 ILE 9 HG11 ILE 9 -4.168 1.288 -5.290
78 HG21 ILE 9 HG21 ILE 9 -1.354 2.908 -6.965
79 HG22 ILE 9 HG22 ILE 9 -0.555 1.474 -6.320
80 HG23 ILE 9 HG23 ILE 9 -0.299 3.046 -5.560
81 HD11 ILE 9 HD11 ILE 9 -4.224 3.599 -6.216
82 HD12 ILE 9 HD12 ILE 9 -4.823 2.405 -7.366
83 HD13 ILE 9 HD13 ILE 9 -3.198 3.067 -7.544
84 H VAL 10 HN VAL 10 -1.379 3.066 -2.462
85 HA VAL 10 HA VAL 10 1.450 3.177 -2.673
86 HB VAL 10 HB VAL 10 1.301 4.681 -0.685
87 HG11 VAL 10 HG11 VAL 10 -0.642 5.081 -2.976
88 HG12 VAL 10 HG12 VAL 10 1.015 5.675 -2.866
89 HG13 VAL 10 HG13 VAL 10 -0.236 6.349 -1.820
90 HG21 VAL 10 HG21 VAL 10 -1.615 3.885 -0.860
91 HG22 VAL 10 HG22 VAL 10 -1.016 5.240 0.094
92 HG23 VAL 10 HG23 VAL 10 -0.531 3.594 0.502
93 H HIS 11 HN HIS 11 -0.725 1.656 -0.339
94 HA HIS 11 HA HIS 11 1.287 0.852 1.501
95 HB2 HIS 11 HB2 HIS 11 -1.098 0.940 2.096
96 HB3 HIS 11 HB1 HIS 11 -1.428 -0.375 0.967
97 HD2 HIS 11 HD2 HIS 11 -1.296 -2.839 2.194
98 HE1 HIS 11 HE1 HIS 11 1.199 -1.778 5.429
99 HE2 HIS 11 HE2 HIS 11 -0.134 -3.667 4.381
100 H ALA 12 HN ALA 12 -0.316 -0.819 -1.187
101 HA ALA 12 HA ALA 12 0.968 -3.306 -0.915
102 HB1 ALA 12 HB1 ALA 12 0.096 -2.062 -3.525
103 HB2 ALA 12 HB2 ALA 12 -1.034 -2.772 -2.371
104 HB3 ALA 12 HB3 ALA 12 0.204 -3.776 -3.127
105 H GLY 13 HN GLY 13 2.097 -0.279 -2.155
106 HA2 GLY 13 HA2 GLY 13 4.256 -1.339 -3.746
107 HA3 GLY 13 HA1 GLY 13 4.054 0.340 -3.252
108 H ARG 14 HN ARG 14 3.930 0.044 -0.532
109 HA ARG 14 HA ARG 14 6.625 0.093 0.235
110 HB2 ARG 14 HB2 ARG 14 4.216 -0.426 2.001
111 HB3 ARG 14 HB1 ARG 14 5.815 0.056 2.560
112 HG2 ARG 14 HG2 ARG 14 4.270 1.710 0.563
113 HG3 ARG 14 HG1 ARG 14 4.039 1.911 2.297
114 HD2 ARG 14 HD2 ARG 14 6.567 2.252 2.457
115 HD3 ARG 14 HD1 ARG 14 6.571 2.339 0.697
116 HE ARG 14 HE ARG 14 4.680 4.129 1.958
117 HH11 ARG 14 HH21 ARG 14 7.909 3.611 0.831
118 HH12 ARG 14 HH22 ARG 14 8.265 5.295 0.647
119 HH21 ARG 14 HH11 ARG 14 5.142 6.345 1.727
120 HH22 ARG 14 HH12 ARG 14 6.699 6.844 1.155
121 H SER 15 HN SER 15 4.309 -2.553 0.246
122 HA SER 15 HA SER 15 5.825 -4.390 1.783
123 HB2 SER 15 HB2 SER 15 4.420 -6.113 0.614
124 HB3 SER 15 HB1 SER 15 3.491 -4.829 1.382
125 HG SER 15 HG SER 15 2.811 -4.244 -0.516
126 H ILE 16 HN ILE 16 5.851 -3.513 -1.617
127 HA ILE 16 HA ILE 16 7.410 -5.665 -2.597
128 HB ILE 16 HB ILE 16 7.425 -2.813 -3.614
129 HG12 ILE 16 HG12 ILE 16 5.131 -3.557 -3.416
130 HG13 ILE 16 HG11 ILE 16 5.585 -3.599 -5.114
131 HG21 ILE 16 HG21 ILE 16 9.154 -4.169 -4.634
132 HG22 ILE 16 HG22 ILE 16 7.842 -3.984 -5.797
133 HG23 ILE 16 HG23 ILE 16 8.017 -5.491 -4.899
134 HD11 ILE 16 HD11 ILE 16 6.195 -6.107 -4.616
135 HD12 ILE 16 HD12 ILE 16 4.505 -5.652 -4.834
136 HD13 ILE 16 HD13 ILE 16 5.151 -5.884 -3.211
137 H GLY 17 HN GLY 17 8.362 -2.431 -1.453
138 HA2 GLY 17 HA2 GLY 17 11.135 -2.722 -1.807
139 HA3 GLY 17 HA1 GLY 17 10.367 -1.626 -0.663
140 H ARG 18 HN ARG 18 9.064 -3.464 0.988
141 HA ARG 18 HA ARG 18 11.176 -4.222 2.727
142 HB2 ARG 18 HB2 ARG 18 8.814 -3.661 3.430
143 HB3 ARG 18 HB1 ARG 18 8.323 -5.223 2.783
144 HG2 ARG 18 HG2 ARG 18 8.675 -5.763 5.024
145 HG3 ARG 18 HG1 ARG 18 10.245 -6.164 4.336
146 HD2 ARG 18 HD2 ARG 18 11.134 -3.985 5.037
147 HD3 ARG 18 HD1 ARG 18 9.550 -3.520 5.652
148 HE ARG 18 HE ARG 18 9.933 -4.855 7.522
149 HH11 ARG 18 HH21 ARG 18 12.231 -5.494 5.017
150 HH12 ARG 18 HH22 ARG 18 13.260 -6.464 6.017
151 HH21 ARG 18 HH11 ARG 18 11.279 -6.122 8.842
152 HH22 ARG 18 HH12 ARG 18 12.720 -6.820 8.184
153 H PHE 19 HN PHE 19 9.076 -6.060 0.535
154 HA PHE 19 HA PHE 19 10.025 -8.635 1.178
155 HB2 PHE 19 HB2 PHE 19 7.968 -8.107 -0.172
156 HB3 PHE 19 HB1 PHE 19 9.031 -7.717 -1.527
157 HD1 PHE 19 HD1 PHE 19 10.373 -9.459 -2.623
158 HD2 PHE 19 HD2 PHE 19 7.708 -10.395 0.612
159 HE1 PHE 19 HE1 PHE 19 10.540 -11.870 -3.183
160 HE2 PHE 19 HE2 PHE 19 7.875 -12.805 0.053
161 HZ PHE 19 HZ PHE 19 9.291 -13.543 -1.845
162 H LEU 20 HN LEU 20 11.195 -6.161 -1.045
163 HA LEU 20 HA LEU 20 13.036 -7.709 -2.480
164 HB2 LEU 20 HB2 LEU 20 12.397 -5.393 -3.101
165 HB3 LEU 20 HB1 LEU 20 13.283 -4.790 -1.704
166 HG LEU 20 HG LEU 20 15.368 -5.802 -2.622
167 HD11 LEU 20 HD11 LEU 20 14.755 -7.586 -4.002
168 HD12 LEU 20 HD12 LEU 20 15.137 -6.347 -5.190
169 HD13 LEU 20 HD13 LEU 20 13.455 -6.678 -4.778
170 HD21 LEU 20 HD21 LEU 20 14.976 -3.478 -3.092
171 HD22 LEU 20 HD22 LEU 20 13.833 -3.871 -4.377
172 HD23 LEU 20 HD23 LEU 20 15.550 -4.217 -4.587
173 H THR 21 HN THR 21 13.285 -6.119 0.663
174 HA THR 21 HA THR 21 16.052 -6.412 1.053
175 HB THR 21 HB THR 21 13.932 -6.564 3.201
176 HG1 THR 21 HG1 THR 21 14.352 -4.659 1.443
177 HG21 THR 21 HG21 THR 21 16.805 -5.596 3.183
178 HG22 THR 21 HG22 THR 21 16.206 -7.066 3.952
179 HG23 THR 21 HG23 THR 21 15.707 -5.488 4.559
180 H GLY 22 HN GLY 22 13.351 -8.578 1.881
181 HA2 GLY 22 HA2 GLY 22 15.038 -10.598 3.020
182 HA3 GLY 22 HA1 GLY 22 13.337 -10.775 2.601
183 HN1 NH2 23 HT1 GLY 22 15.149 -11.005 -0.975
184 HN2 NH2 23 HT2 GLY 22 14.790 -9.537 -0.129
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 -14.875 5.194 2.135
2 H2 PHE 1 HT2 PHE 1 -15.072 5.949 0.626
3 H3 PHE 1 HT3 PHE 1 -13.529 5.846 1.331
4 HA PHE 1 HA PHE 1 -13.776 3.357 1.216
5 HB2 PHE 1 HB2 PHE 1 -16.049 4.241 -0.586
6 HB3 PHE 1 HB1 PHE 1 -15.385 2.607 -0.552
7 HD1 PHE 1 HD2 PHE 1 -15.511 1.253 1.561
8 HD2 PHE 1 HD1 PHE 1 -17.534 5.017 1.121
9 HE1 PHE 1 HE2 PHE 1 -16.945 0.710 3.510
10 HE2 PHE 1 HE1 PHE 1 -18.967 4.474 3.070
11 HZ PHE 1 HZ PHE 1 -18.673 2.321 4.265
12 H ILE 2 HN ILE 2 -14.038 6.075 -1.003
13 HA ILE 2 HA ILE 2 -12.654 4.960 -3.192
14 HB ILE 2 HB ILE 2 -13.981 7.062 -3.280
15 HG12 ILE 2 HG12 ILE 2 -11.094 7.546 -4.055
16 HG13 ILE 2 HG11 ILE 2 -12.147 6.446 -4.944
17 HG21 ILE 2 HG21 ILE 2 -11.582 8.357 -1.970
18 HG22 ILE 2 HG22 ILE 2 -13.021 7.893 -1.062
19 HG23 ILE 2 HG23 ILE 2 -13.138 9.093 -2.348
20 HD11 ILE 2 HD11 ILE 2 -12.004 8.861 -5.815
21 HD12 ILE 2 HD12 ILE 2 -12.939 9.309 -4.387
22 HD13 ILE 2 HD13 ILE 2 -13.621 8.200 -5.578
23 H HIS 3 HN HIS 3 -11.529 6.695 -0.316
24 HA HIS 3 HA HIS 3 -8.859 7.069 -1.030
25 HB2 HIS 3 HB2 HIS 3 -10.051 6.461 1.691
26 HB3 HIS 3 HB1 HIS 3 -8.404 7.037 1.430
27 HD2 HIS 3 HD2 HIS 3 -11.610 8.640 2.326
28 HE1 HIS 3 HE1 HIS 3 -9.783 11.471 -0.216
29 HE2 HIS 3 HE2 HIS 3 -11.640 11.109 1.477
30 H HIS 4 HN HIS 4 -10.425 4.206 0.429
31 HA HIS 4 HA HIS 4 -8.278 2.638 0.976
32 HB2 HIS 4 HB2 HIS 4 -10.668 2.023 1.326
33 HB3 HIS 4 HB1 HIS 4 -10.794 1.694 -0.402
34 HD2 HIS 4 HD2 HIS 4 -10.011 -0.870 -1.102
35 HE1 HIS 4 HE1 HIS 4 -7.986 -1.853 2.470
36 HE2 HIS 4 HE2 HIS 4 -8.763 -2.743 0.222
37 H ILE 5 HN ILE 5 -9.695 3.145 -2.291
38 HA ILE 5 HA ILE 5 -8.173 1.174 -3.616
39 HB ILE 5 HB ILE 5 -9.333 3.802 -4.567
40 HG12 ILE 5 HG12 ILE 5 -10.335 0.964 -4.940
41 HG13 ILE 5 HG11 ILE 5 -10.883 2.021 -3.639
42 HG21 ILE 5 HG21 ILE 5 -7.646 3.162 -6.162
43 HG22 ILE 5 HG22 ILE 5 -9.193 2.653 -6.834
44 HG23 ILE 5 HG23 ILE 5 -8.128 1.468 -6.079
45 HD11 ILE 5 HD11 ILE 5 -11.697 3.658 -5.253
46 HD12 ILE 5 HD12 ILE 5 -12.399 2.083 -5.621
47 HD13 ILE 5 HD13 ILE 5 -11.058 2.700 -6.588
48 H PHE 6 HN PHE 6 -7.569 4.654 -3.089
49 HA PHE 6 HA PHE 6 -5.050 4.646 -4.439
50 HB2 PHE 6 HB2 PHE 6 -6.353 6.589 -2.529
51 HB3 PHE 6 HB1 PHE 6 -4.775 6.876 -3.264
52 HD1 PHE 6 HD1 PHE 6 -4.550 7.198 -5.691
53 HD2 PHE 6 HD2 PHE 6 -8.393 6.640 -3.855
54 HE1 PHE 6 HE1 PHE 6 -5.655 8.007 -7.760
55 HE2 PHE 6 HE2 PHE 6 -9.498 7.448 -5.924
56 HZ PHE 6 HZ PHE 6 -8.129 8.130 -7.876
57 H ARG 7 HN ARG 7 -6.050 4.411 -1.064
58 HA ARG 7 HA ARG 7 -3.439 4.464 0.052
59 HB2 ARG 7 HB2 ARG 7 -6.046 3.356 1.119
60 HB3 ARG 7 HB1 ARG 7 -4.568 3.497 2.068
61 HG2 ARG 7 HG2 ARG 7 -5.617 5.924 0.627
62 HG3 ARG 7 HG1 ARG 7 -6.375 5.426 2.136
63 HD2 ARG 7 HD2 ARG 7 -3.423 6.014 1.763
64 HD3 ARG 7 HD1 ARG 7 -4.591 7.071 2.549
65 HE ARG 7 HE ARG 7 -3.396 4.679 3.667
66 HH11 ARG 7 HH21 ARG 7 -6.019 6.934 3.730
67 HH12 ARG 7 HH22 ARG 7 -6.441 6.609 5.379
68 HH21 ARG 7 HH11 ARG 7 -3.942 4.246 5.829
69 HH22 ARG 7 HH12 ARG 7 -5.265 5.087 6.566
70 H GLY 8 HN GLY 8 -5.503 1.855 -1.139
71 HA2 GLY 8 HA2 GLY 8 -4.024 -0.326 -0.085
72 HA3 GLY 8 HA1 GLY 8 -5.110 -0.379 -1.472
73 H ILE 9 HN ILE 9 -3.750 1.579 -3.032
74 HA ILE 9 HA ILE 9 -1.849 -0.074 -4.357
75 HB ILE 9 HB ILE 9 -2.454 2.881 -4.622
76 HG12 ILE 9 HG12 ILE 9 -3.078 0.578 -6.490
77 HG13 ILE 9 HG11 ILE 9 -4.198 1.122 -5.242
78 HG21 ILE 9 HG21 ILE 9 -0.584 1.070 -6.166
79 HG22 ILE 9 HG22 ILE 9 -0.226 2.635 -5.435
80 HG23 ILE 9 HG23 ILE 9 -1.251 2.547 -6.866
81 HD11 ILE 9 HD11 ILE 9 -4.385 3.293 -6.228
82 HD12 ILE 9 HD12 ILE 9 -4.546 2.143 -7.553
83 HD13 ILE 9 HD13 ILE 9 -3.023 2.995 -7.304
84 H VAL 10 HN VAL 10 -1.516 2.754 -2.238
85 HA VAL 10 HA VAL 10 1.321 2.860 -2.351
86 HB VAL 10 HB VAL 10 -0.596 3.895 -0.248
87 HG11 VAL 10 HG11 VAL 10 1.626 3.746 0.708
88 HG12 VAL 10 HG12 VAL 10 1.331 5.431 0.286
89 HG13 VAL 10 HG13 VAL 10 2.346 4.429 -0.750
90 HG21 VAL 10 HG21 VAL 10 0.795 5.316 -2.539
91 HG22 VAL 10 HG22 VAL 10 -0.384 6.011 -1.427
92 HG23 VAL 10 HG23 VAL 10 -0.883 4.776 -2.582
93 H HIS 11 HN HIS 11 -0.950 1.393 -0.054
94 HA HIS 11 HA HIS 11 1.004 0.451 1.770
95 HB2 HIS 11 HB2 HIS 11 -1.417 0.649 2.297
96 HB3 HIS 11 HB1 HIS 11 -1.738 -0.699 1.205
97 HD2 HIS 11 HD2 HIS 11 -1.160 -3.237 2.270
98 HE1 HIS 11 HE1 HIS 11 0.407 -1.892 5.952
99 HE2 HIS 11 HE2 HIS 11 -0.313 -3.942 4.637
100 H ALA 12 HN ALA 12 -0.683 -1.140 -0.932
101 HA ALA 12 HA ALA 12 0.575 -3.659 -0.651
102 HB1 ALA 12 HB1 ALA 12 -1.503 -3.198 -1.987
103 HB2 ALA 12 HB2 ALA 12 -0.287 -4.146 -2.844
104 HB3 ALA 12 HB3 ALA 12 -0.481 -2.431 -3.204
105 H GLY 13 HN GLY 13 1.587 -0.666 -2.098
106 HA2 GLY 13 HA2 GLY 13 3.685 -1.787 -3.729
107 HA3 GLY 13 HA1 GLY 13 3.461 -0.083 -3.346
108 H ARG 14 HN ARG 14 3.633 0.076 -0.715
109 HA ARG 14 HA ARG 14 6.328 0.106 -0.110
110 HB2 ARG 14 HB2 ARG 14 4.578 1.278 1.218
111 HB3 ARG 14 HB1 ARG 14 4.091 -0.275 1.898
112 HG2 ARG 14 HG2 ARG 14 6.365 -0.585 2.820
113 HG3 ARG 14 HG1 ARG 14 6.848 0.971 2.144
114 HD2 ARG 14 HD2 ARG 14 4.596 0.594 4.136
115 HD3 ARG 14 HD1 ARG 14 6.228 1.098 4.562
116 HE ARG 14 HE ARG 14 5.259 2.823 2.557
117 HH11 ARG 14 HH21 ARG 14 4.705 1.935 5.855
118 HH12 ARG 14 HH22 ARG 14 4.101 3.491 6.317
119 HH21 ARG 14 HH11 ARG 14 4.468 4.866 3.155
120 HH22 ARG 14 HH12 ARG 14 3.967 5.151 4.789
121 H SER 15 HN SER 15 4.025 -2.513 0.254
122 HA SER 15 HA SER 15 5.589 -4.229 1.867
123 HB2 SER 15 HB2 SER 15 3.209 -4.621 1.528
124 HB3 SER 15 HB1 SER 15 3.473 -4.894 -0.192
125 HG SER 15 HG SER 15 4.494 -6.762 0.256
126 H ILE 16 HN ILE 16 5.432 -3.711 -1.594
127 HA ILE 16 HA ILE 16 7.008 -5.923 -2.410
128 HB ILE 16 HB ILE 16 6.846 -3.233 -3.791
129 HG12 ILE 16 HG12 ILE 16 4.593 -3.990 -3.344
130 HG13 ILE 16 HG11 ILE 16 4.940 -4.282 -5.041
131 HG21 ILE 16 HG21 ILE 16 7.236 -4.594 -5.814
132 HG22 ILE 16 HG22 ILE 16 7.326 -6.046 -4.819
133 HG23 ILE 16 HG23 ILE 16 8.558 -4.794 -4.663
134 HD11 ILE 16 HD11 ILE 16 4.732 -6.266 -2.789
135 HD12 ILE 16 HD12 ILE 16 5.660 -6.664 -4.234
136 HD13 ILE 16 HD13 ILE 16 3.941 -6.294 -4.362
137 H GLY 17 HN GLY 17 7.883 -2.581 -1.583
138 HA2 GLY 17 HA2 GLY 17 10.639 -2.781 -2.157
139 HA3 GLY 17 HA1 GLY 17 9.907 -1.624 -1.049
140 H ARG 18 HN ARG 18 8.762 -3.620 0.716
141 HA ARG 18 HA ARG 18 10.902 -3.963 2.523
142 HB2 ARG 18 HB2 ARG 18 8.169 -5.229 2.374
143 HB3 ARG 18 HB1 ARG 18 9.289 -5.533 3.703
144 HG2 ARG 18 HG2 ARG 18 9.389 -3.101 4.161
145 HG3 ARG 18 HG1 ARG 18 8.248 -2.814 2.848
146 HD2 ARG 18 HD2 ARG 18 6.567 -4.206 4.004
147 HD3 ARG 18 HD1 ARG 18 7.707 -4.491 5.314
148 HE ARG 18 HE ARG 18 7.290 -1.691 4.853
149 HH11 ARG 18 HH21 ARG 18 5.975 -4.558 6.276
150 HH12 ARG 18 HH22 ARG 18 5.070 -3.710 7.484
151 HH21 ARG 18 HH11 ARG 18 6.105 -0.571 6.435
152 HH22 ARG 18 HH12 ARG 18 5.144 -1.452 7.574
153 H PHE 19 HN PHE 19 9.323 -6.258 0.308
154 HA PHE 19 HA PHE 19 10.818 -8.535 1.074
155 HB2 PHE 19 HB2 PHE 19 9.355 -7.810 -1.466
156 HB3 PHE 19 HB1 PHE 19 10.161 -9.364 -1.249
157 HD1 PHE 19 HD2 PHE 19 9.621 -10.580 1.051
158 HD2 PHE 19 HD1 PHE 19 7.106 -7.643 -0.816
159 HE1 PHE 19 HE2 PHE 19 7.675 -11.436 2.327
160 HE2 PHE 19 HE1 PHE 19 5.159 -8.498 0.459
161 HZ PHE 19 HZ PHE 19 5.443 -10.395 2.031
162 H LEU 20 HN LEU 20 11.419 -5.940 -1.233
163 HA LEU 20 HA LEU 20 13.574 -7.085 -2.612
164 HB2 LEU 20 HB2 LEU 20 12.463 -5.004 -3.337
165 HB3 LEU 20 HB1 LEU 20 13.121 -4.165 -1.934
166 HG LEU 20 HG LEU 20 15.425 -4.672 -2.744
167 HD11 LEU 20 HD11 LEU 20 15.290 -6.602 -4.061
168 HD12 LEU 20 HD12 LEU 20 15.445 -5.345 -5.282
169 HD13 LEU 20 HD13 LEU 20 13.861 -6.036 -4.928
170 HD21 LEU 20 HD21 LEU 20 13.527 -3.203 -4.590
171 HD22 LEU 20 HD22 LEU 20 15.277 -3.179 -4.802
172 HD23 LEU 20 HD23 LEU 20 14.561 -2.523 -3.332
173 H THR 21 HN THR 21 13.440 -5.345 0.467
174 HA THR 21 HA THR 21 16.116 -4.863 0.933
175 HB THR 21 HB THR 21 14.107 -5.855 2.968
176 HG1 THR 21 HG1 THR 21 13.980 -3.474 3.256
177 HG21 THR 21 HG21 THR 21 16.189 -5.865 4.050
178 HG22 THR 21 HG22 THR 21 15.566 -4.255 4.409
179 HG23 THR 21 HG23 THR 21 16.776 -4.469 3.145
180 H GLY 22 HN GLY 22 17.565 -6.061 2.486
181 HA2 GLY 22 HA2 GLY 22 17.590 -8.619 3.272
182 HA3 GLY 22 HA1 GLY 22 17.876 -8.802 1.544
183 HN1 NH2 23 HT1 GLY 22 20.776 -6.256 2.650
184 HN2 NH2 23 HT2 GLY 22 19.130 -5.818 2.336
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 -15.052 5.940 1.269
2 H2 PHE 1 HT2 PHE 1 -13.361 5.886 1.114
3 H3 PHE 1 HT3 PHE 1 -14.131 5.023 2.359
4 HA PHE 1 HA PHE 1 -14.080 3.262 1.029
5 HB2 PHE 1 HB2 PHE 1 -16.051 4.989 -0.494
6 HB3 PHE 1 HB1 PHE 1 -15.826 3.261 -0.774
7 HD1 PHE 1 HD2 PHE 1 -16.238 1.637 1.121
8 HD2 PHE 1 HD1 PHE 1 -17.344 5.781 1.345
9 HE1 PHE 1 HE2 PHE 1 -17.760 1.128 3.012
10 HE2 PHE 1 HE1 PHE 1 -18.866 5.273 3.235
11 HZ PHE 1 HZ PHE 1 -19.075 2.947 4.069
12 H ILE 2 HN ILE 2 -13.991 6.184 -1.010
13 HA ILE 2 HA ILE 2 -12.641 4.969 -3.183
14 HB ILE 2 HB ILE 2 -13.918 7.132 -3.285
15 HG12 ILE 2 HG12 ILE 2 -12.259 8.256 -4.801
16 HG13 ILE 2 HG11 ILE 2 -11.028 7.141 -4.220
17 HG21 ILE 2 HG21 ILE 2 -12.869 8.002 -1.143
18 HG22 ILE 2 HG22 ILE 2 -12.924 9.156 -2.477
19 HG23 ILE 2 HG23 ILE 2 -11.413 8.334 -2.083
20 HD11 ILE 2 HD11 ILE 2 -11.882 5.362 -5.391
21 HD12 ILE 2 HD12 ILE 2 -12.500 6.647 -6.427
22 HD13 ILE 2 HD13 ILE 2 -13.553 5.904 -5.226
23 H HIS 3 HN HIS 3 -11.538 6.566 -0.249
24 HA HIS 3 HA HIS 3 -8.839 6.925 -0.924
25 HB2 HIS 3 HB2 HIS 3 -10.146 6.377 1.753
26 HB3 HIS 3 HB1 HIS 3 -8.456 6.841 1.560
27 HD2 HIS 3 HD2 HIS 3 -11.956 8.502 1.583
28 HE1 HIS 3 HE1 HIS 3 -9.187 11.472 0.427
29 HE2 HIS 3 HE2 HIS 3 -11.590 11.048 1.130
30 H HIS 4 HN HIS 4 -10.486 4.109 0.551
31 HA HIS 4 HA HIS 4 -8.379 2.497 1.112
32 HB2 HIS 4 HB2 HIS 4 -11.028 1.767 -0.139
33 HB3 HIS 4 HB1 HIS 4 -9.903 0.582 0.526
34 HD2 HIS 4 HD2 HIS 4 -9.716 0.581 3.369
35 HE1 HIS 4 HE1 HIS 4 -12.784 3.411 4.005
36 HE2 HIS 4 HE2 HIS 4 -11.255 1.731 5.139
37 H ILE 5 HN ILE 5 -9.788 3.010 -2.144
38 HA ILE 5 HA ILE 5 -8.276 1.018 -3.460
39 HB ILE 5 HB ILE 5 -9.569 3.582 -4.409
40 HG12 ILE 5 HG12 ILE 5 -11.174 1.920 -5.424
41 HG13 ILE 5 HG11 ILE 5 -10.312 0.641 -4.573
42 HG21 ILE 5 HG21 ILE 5 -7.863 3.170 -6.012
43 HG22 ILE 5 HG22 ILE 5 -9.322 2.465 -6.704
44 HG23 ILE 5 HG23 ILE 5 -8.113 1.426 -5.950
45 HD11 ILE 5 HD11 ILE 5 -11.057 1.345 -2.480
46 HD12 ILE 5 HD12 ILE 5 -12.451 1.740 -3.483
47 HD13 ILE 5 HD13 ILE 5 -11.323 3.007 -3.009
48 H PHE 6 HN PHE 6 -7.706 4.511 -3.015
49 HA PHE 6 HA PHE 6 -5.207 4.512 -4.400
50 HB2 PHE 6 HB2 PHE 6 -6.572 6.466 -2.551
51 HB3 PHE 6 HB1 PHE 6 -4.957 6.767 -3.191
52 HD1 PHE 6 HD2 PHE 6 -8.332 5.636 -4.404
53 HD2 PHE 6 HD1 PHE 6 -4.797 7.944 -5.203
54 HE1 PHE 6 HE2 PHE 6 -9.324 6.420 -6.537
55 HE2 PHE 6 HE1 PHE 6 -5.791 8.726 -7.335
56 HZ PHE 6 HZ PHE 6 -8.056 7.965 -8.003
57 H ARG 7 HN ARG 7 -6.151 4.209 -1.026
58 HA ARG 7 HA ARG 7 -3.576 4.435 0.115
59 HB2 ARG 7 HB2 ARG 7 -5.686 4.616 1.415
60 HB3 ARG 7 HB1 ARG 7 -5.952 2.889 1.176
61 HG2 ARG 7 HG2 ARG 7 -3.837 2.385 2.331
62 HG3 ARG 7 HG1 ARG 7 -3.535 4.110 2.544
63 HD2 ARG 7 HD2 ARG 7 -5.683 4.265 3.825
64 HD3 ARG 7 HD1 ARG 7 -5.832 2.514 3.710
65 HE ARG 7 HE ARG 7 -3.986 3.992 5.405
66 HH11 ARG 7 HH21 ARG 7 -4.807 1.006 3.861
67 HH12 ARG 7 HH22 ARG 7 -3.899 0.027 4.964
68 HH21 ARG 7 HH11 ARG 7 -2.793 2.715 6.856
69 HH22 ARG 7 HH12 ARG 7 -2.759 0.994 6.659
70 H GLY 8 HN GLY 8 -5.357 1.697 -1.227
71 HA2 GLY 8 HA2 GLY 8 -3.748 -0.396 -0.243
72 HA3 GLY 8 HA1 GLY 8 -4.730 -0.452 -1.704
73 H ILE 9 HN ILE 9 -3.392 1.759 -3.002
74 HA ILE 9 HA ILE 9 -1.323 0.340 -4.333
75 HB ILE 9 HB ILE 9 -1.785 3.330 -4.337
76 HG12 ILE 9 HG12 ILE 9 -3.884 2.199 -4.848
77 HG13 ILE 9 HG11 ILE 9 -3.211 2.852 -6.339
78 HG21 ILE 9 HG21 ILE 9 -0.798 3.162 -6.604
79 HG22 ILE 9 HG22 ILE 9 -0.544 1.435 -6.353
80 HG23 ILE 9 HG23 ILE 9 0.333 2.605 -5.367
81 HD11 ILE 9 HD11 ILE 9 -3.363 -0.012 -5.424
82 HD12 ILE 9 HD12 ILE 9 -2.117 0.470 -6.572
83 HD13 ILE 9 HD13 ILE 9 -3.817 0.679 -6.980
84 H VAL 10 HN VAL 10 -1.256 2.966 -1.936
85 HA VAL 10 HA VAL 10 1.567 3.218 -1.850
86 HB VAL 10 HB VAL 10 -0.560 3.895 0.193
87 HG11 VAL 10 HG11 VAL 10 1.486 3.697 1.413
88 HG12 VAL 10 HG12 VAL 10 1.297 5.418 1.076
89 HG13 VAL 10 HG13 VAL 10 2.414 4.447 0.118
90 HG21 VAL 10 HG21 VAL 10 0.939 5.481 -1.912
91 HG22 VAL 10 HG22 VAL 10 -0.018 6.228 -0.634
92 HG23 VAL 10 HG23 VAL 10 -0.799 5.192 -1.829
93 H HIS 11 HN HIS 11 -0.724 1.395 0.160
94 HA HIS 11 HA HIS 11 1.238 0.306 1.908
95 HB2 HIS 11 HB2 HIS 11 -1.196 0.420 2.428
96 HB3 HIS 11 HB1 HIS 11 -1.481 -0.828 1.215
97 HD2 HIS 11 HD2 HIS 11 -0.741 -3.443 2.006
98 HE1 HIS 11 HE1 HIS 11 0.575 -2.408 5.880
99 HE2 HIS 11 HE2 HIS 11 0.046 -4.345 4.327
100 H ALA 12 HN ALA 12 -0.364 -0.955 -1.002
101 HA ALA 12 HA ALA 12 0.838 -3.506 -0.988
102 HB1 ALA 12 HB1 ALA 12 0.188 -3.609 -3.348
103 HB2 ALA 12 HB2 ALA 12 -0.098 -1.869 -3.357
104 HB3 ALA 12 HB3 ALA 12 -1.117 -2.925 -2.379
105 H GLY 13 HN GLY 13 1.976 -0.378 -2.045
106 HA2 GLY 13 HA2 GLY 13 4.180 -1.362 -3.617
107 HA3 GLY 13 HA1 GLY 13 3.942 0.297 -3.077
108 H ARG 14 HN ARG 14 3.828 -0.000 -0.381
109 HA ARG 14 HA ARG 14 6.545 -0.102 0.371
110 HB2 ARG 14 HB2 ARG 14 4.030 -0.219 2.039
111 HB3 ARG 14 HB1 ARG 14 5.647 -0.132 2.737
112 HG2 ARG 14 HG2 ARG 14 6.069 1.963 1.488
113 HG3 ARG 14 HG1 ARG 14 4.441 1.882 0.820
114 HD2 ARG 14 HD2 ARG 14 5.020 1.947 3.788
115 HD3 ARG 14 HD1 ARG 14 4.667 3.385 2.836
116 HE ARG 14 HE ARG 14 2.558 1.783 2.265
117 HH11 ARG 14 HH21 ARG 14 4.121 2.724 5.207
118 HH12 ARG 14 HH22 ARG 14 2.680 2.634 6.164
119 HH21 ARG 14 HH11 ARG 14 0.664 1.662 3.514
120 HH22 ARG 14 HH12 ARG 14 0.723 2.031 5.206
121 H SER 15 HN SER 15 3.979 -2.523 0.549
122 HA SER 15 HA SER 15 5.387 -4.431 2.107
123 HB2 SER 15 HB2 SER 15 3.732 -6.040 1.216
124 HB3 SER 15 HB1 SER 15 2.969 -4.559 1.790
125 HG SER 15 HG SER 15 2.396 -4.103 -0.190
126 H ILE 16 HN ILE 16 5.102 -3.929 -1.378
127 HA ILE 16 HA ILE 16 6.582 -6.218 -2.180
128 HB ILE 16 HB ILE 16 6.070 -3.582 -3.574
129 HG12 ILE 16 HG12 ILE 16 4.948 -6.337 -4.153
130 HG13 ILE 16 HG11 ILE 16 4.164 -5.218 -3.042
131 HG21 ILE 16 HG21 ILE 16 8.045 -4.429 -4.598
132 HG22 ILE 16 HG22 ILE 16 6.726 -4.966 -5.640
133 HG23 ILE 16 HG23 ILE 16 7.471 -6.095 -4.508
134 HD11 ILE 16 HD11 ILE 16 4.738 -4.764 -5.984
135 HD12 ILE 16 HD12 ILE 16 4.150 -3.507 -4.897
136 HD13 ILE 16 HD13 ILE 16 3.155 -4.925 -5.224
137 H GLY 17 HN GLY 17 7.534 -2.855 -1.584
138 HA2 GLY 17 HA2 GLY 17 10.251 -3.129 -2.312
139 HA3 GLY 17 HA1 GLY 17 9.592 -1.877 -1.262
140 H ARG 18 HN ARG 18 8.512 -3.741 0.676
141 HA ARG 18 HA ARG 18 10.653 -3.905 2.472
142 HB2 ARG 18 HB2 ARG 18 8.256 -3.984 3.126
143 HB3 ARG 18 HB1 ARG 18 8.155 -5.614 2.460
144 HG2 ARG 18 HG2 ARG 18 9.898 -6.373 4.036
145 HG3 ARG 18 HG1 ARG 18 10.004 -4.743 4.702
146 HD2 ARG 18 HD2 ARG 18 7.572 -4.893 5.290
147 HD3 ARG 18 HD1 ARG 18 7.592 -6.575 4.761
148 HE ARG 18 HE ARG 18 8.759 -5.507 7.203
149 HH11 ARG 18 HH21 ARG 18 8.638 -8.071 4.882
150 HH12 ARG 18 HH22 ARG 18 9.261 -9.268 5.966
151 HH21 ARG 18 HH11 ARG 18 9.577 -7.072 8.632
152 HH22 ARG 18 HH12 ARG 18 9.792 -8.703 8.089
153 H PHE 19 HN PHE 19 9.238 -6.435 0.394
154 HA PHE 19 HA PHE 19 10.944 -8.530 1.242
155 HB2 PHE 19 HB2 PHE 19 9.385 -8.101 -1.310
156 HB3 PHE 19 HB1 PHE 19 10.285 -9.578 -0.969
157 HD1 PHE 19 HD1 PHE 19 9.793 -10.759 1.298
158 HD2 PHE 19 HD2 PHE 19 7.186 -7.865 -0.508
159 HE1 PHE 19 HE1 PHE 19 7.906 -11.601 2.671
160 HE2 PHE 19 HE2 PHE 19 5.299 -8.704 0.866
161 HZ PHE 19 HZ PHE 19 5.660 -10.574 2.455
162 H LEU 20 HN LEU 20 11.254 -6.043 -1.232
163 HA LEU 20 HA LEU 20 13.442 -7.081 -2.639
164 HB2 LEU 20 HB2 LEU 20 12.044 -5.062 -3.273
165 HB3 LEU 20 HB1 LEU 20 12.954 -4.151 -2.071
166 HG LEU 20 HG LEU 20 15.063 -5.103 -3.353
167 HD11 LEU 20 HD11 LEU 20 12.877 -5.266 -5.452
168 HD12 LEU 20 HD12 LEU 20 13.836 -6.613 -4.842
169 HD13 LEU 20 HD13 LEU 20 14.606 -5.343 -5.789
170 HD21 LEU 20 HD21 LEU 20 14.965 -3.139 -4.899
171 HD22 LEU 20 HD22 LEU 20 14.532 -2.724 -3.241
172 HD23 LEU 20 HD23 LEU 20 13.271 -2.914 -4.460
173 H THR 21 HN THR 21 13.313 -5.131 0.320
174 HA THR 21 HA THR 21 15.981 -4.475 0.637
175 HB THR 21 HB THR 21 15.544 -4.350 3.013
176 HG1 THR 21 HG1 THR 21 13.162 -5.268 3.333
177 HG21 THR 21 HG21 THR 21 13.707 -2.871 2.980
178 HG22 THR 21 HG22 THR 21 12.882 -3.789 1.722
179 HG23 THR 21 HG23 THR 21 14.304 -2.827 1.320
180 H GLY 22 HN GLY 22 14.396 -7.408 1.960
181 HA2 GLY 22 HA2 GLY 22 15.304 -9.400 2.674
182 HA3 GLY 22 HA1 GLY 22 16.195 -9.314 1.159
183 HN1 NH2 23 HT1 GLY 22 18.481 -7.141 3.644
184 HN2 NH2 23 HT2 GLY 22 17.055 -6.570 2.843