Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653877 | 7at7 RC | 34568 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 28 HT1 ARG 28 15.558 14.229 -0.668
2 H2 ARG 28 HT2 ARG 28 16.175 13.690 0.813
3 H3 ARG 28 HT3 ARG 28 15.004 14.910 0.779
4 HA ARG 28 HA ARG 28 14.078 12.768 1.439
5 HB2 ARG 28 HB2 ARG 28 12.227 12.749 -0.250
6 HB3 ARG 28 HB1 ARG 28 12.575 14.334 0.428
7 HG2 ARG 28 HG2 ARG 28 13.770 14.974 -1.563
8 HG3 ARG 28 HG1 ARG 28 13.578 13.354 -2.237
9 HD2 ARG 28 HD2 ARG 28 11.973 14.978 -3.174
10 HD3 ARG 28 HD1 ARG 28 11.184 13.638 -2.344
11 HE ARG 28 HE ARG 28 11.554 15.831 -0.587
12 HH11 ARG 28 HH11 ARG 28 9.591 14.743 -3.254
13 HH12 ARG 28 HH12 ARG 28 8.214 15.687 -2.792
14 HH21 ARG 28 HH21 ARG 28 9.743 17.074 0.028
15 HH22 ARG 28 HH22 ARG 28 8.300 17.012 -0.928
16 H ARG 29 HN ARG 29 16.503 12.450 -0.612
17 HA ARG 29 HA ARG 29 15.596 9.904 -1.763
18 HB2 ARG 29 HB2 ARG 29 16.557 11.607 -3.308
19 HB3 ARG 29 HB1 ARG 29 18.076 11.497 -2.431
20 HG2 ARG 29 HG2 ARG 29 18.323 9.180 -3.074
21 HG3 ARG 29 HG1 ARG 29 16.749 9.211 -3.873
22 HD2 ARG 29 HD2 ARG 29 17.594 10.949 -5.405
23 HD3 ARG 29 HD1 ARG 29 19.174 10.836 -4.630
24 HE ARG 29 HE ARG 29 18.680 8.291 -5.397
25 HH11 ARG 29 HH11 ARG 29 18.613 11.347 -7.067
26 HH12 ARG 29 HH12 ARG 29 19.055 10.668 -8.598
27 HH21 ARG 29 HH21 ARG 29 19.264 7.386 -7.408
28 HH22 ARG 29 HH22 ARG 29 19.426 8.416 -8.792
29 H CYS 30 HN CYS 30 16.422 8.013 -1.106
30 HA CYS 30 HA CYS 30 18.793 8.050 0.634
31 HB2 CYS 30 HB2 CYS 30 16.784 7.872 2.042
32 HB3 CYS 30 HB1 CYS 30 16.263 6.464 1.124
33 HG CYS 30 HG CYS 30 18.807 5.145 1.886
34 H LEU 31 HN LEU 31 19.999 6.085 0.690
35 HA LEU 31 HA LEU 31 19.943 4.687 -1.842
36 HB2 LEU 31 HB2 LEU 31 21.818 4.567 0.516
37 HB3 LEU 31 HB1 LEU 31 22.004 3.563 -0.909
38 HG LEU 31 HG LEU 31 22.103 5.743 -2.241
39 HD11 LEU 31 HD11 LEU 31 22.868 7.708 -0.983
40 HD12 LEU 31 HD12 LEU 31 22.558 6.847 0.526
41 HD13 LEU 31 HD13 LEU 31 21.222 7.240 -0.556
42 HD21 LEU 31 HD21 LEU 31 24.047 4.338 -1.842
43 HD22 LEU 31 HD22 LEU 31 24.294 5.100 -0.270
44 HD23 LEU 31 HD23 LEU 31 24.484 6.044 -1.748
45 H PHE 32 HN PHE 32 17.736 4.222 -0.039
46 HA PHE 32 HA PHE 32 17.679 1.366 -0.151
47 HB2 PHE 32 HB2 PHE 32 18.931 1.919 2.016
48 HB3 PHE 32 HB1 PHE 32 17.401 2.555 2.609
49 HD1 PHE 32 HD1 PHE 32 15.903 1.143 3.665
50 HD2 PHE 32 HD2 PHE 32 18.909 -0.516 1.151
51 HE1 PHE 32 HE1 PHE 32 15.238 -1.120 4.370
52 HE2 PHE 32 HE2 PHE 32 18.249 -2.780 1.850
53 HZ PHE 32 HZ PHE 32 16.412 -3.085 3.462
54 H LEU 33 HN LEU 33 16.280 4.210 -0.495
55 HA LEU 33 HA LEU 33 13.724 3.886 0.695
56 HB2 LEU 33 HB2 LEU 33 14.609 6.073 0.037
57 HB3 LEU 33 HB1 LEU 33 14.558 5.597 -1.648
58 HG LEU 33 HG LEU 33 12.061 5.344 -1.403
59 HD11 LEU 33 HD11 LEU 33 10.997 6.493 0.469
60 HD12 LEU 33 HD12 LEU 33 12.579 6.784 1.194
61 HD13 LEU 33 HD13 LEU 33 11.976 5.135 1.023
62 HD21 LEU 33 HD21 LEU 33 11.640 7.753 -1.551
63 HD22 LEU 33 HD22 LEU 33 13.061 7.281 -2.483
64 HD23 LEU 33 HD23 LEU 33 13.255 8.071 -0.918
65 HA PRO 34 HA PRO 34 12.493 2.537 -3.923
66 HB2 PRO 34 HB2 PRO 34 14.974 0.959 -4.409
67 HB3 PRO 34 HB1 PRO 34 13.965 1.854 -5.552
68 HG2 PRO 34 HG2 PRO 34 16.303 2.839 -4.760
69 HG3 PRO 34 HG1 PRO 34 14.897 3.899 -4.973
70 HD2 PRO 34 HD2 PRO 34 16.125 2.857 -2.457
71 HD3 PRO 34 HD1 PRO 34 15.395 4.441 -2.787
72 H LEU 35 HN LEU 35 14.306 0.754 -1.522
73 HA LEU 35 HA LEU 35 12.831 -1.699 -2.093
74 HB2 LEU 35 HB2 LEU 35 15.341 -1.571 -1.534
75 HB3 LEU 35 HB1 LEU 35 14.826 -1.312 0.120
76 HG LEU 35 HG LEU 35 15.440 -3.656 -0.323
77 HD11 LEU 35 HD11 LEU 35 13.764 -3.066 1.402
78 HD12 LEU 35 HD12 LEU 35 13.539 -4.679 0.726
79 HD13 LEU 35 HD13 LEU 35 12.492 -3.355 0.216
80 HD21 LEU 35 HD21 LEU 35 13.085 -3.624 -2.206
81 HD22 LEU 35 HD22 LEU 35 14.003 -5.050 -1.724
82 HD23 LEU 35 HD23 LEU 35 14.781 -3.777 -2.665
83 H PHE 36 HN PHE 36 13.518 0.292 0.792
84 HA PHE 36 HA PHE 36 11.678 -0.876 2.505
85 HB2 PHE 36 HB2 PHE 36 13.469 0.838 3.065
86 HB3 PHE 36 HB1 PHE 36 12.344 2.070 2.504
87 HD1 PHE 36 HD1 PHE 36 12.977 -0.473 5.077
88 HD2 PHE 36 HD2 PHE 36 10.464 2.725 3.824
89 HE1 PHE 36 HE1 PHE 36 11.945 -0.416 7.309
90 HE2 PHE 36 HE2 PHE 36 9.427 2.788 6.055
91 HZ PHE 36 HZ PHE 36 10.168 1.217 7.801
92 H SER 37 HN SER 37 11.137 1.219 -0.173
93 HA SER 37 HA SER 37 8.510 2.066 0.658
94 HB2 SER 37 HB2 SER 37 8.374 3.145 -1.508
95 HB3 SER 37 HB1 SER 37 9.965 3.449 -0.812
96 HG SER 37 HG SER 37 10.095 1.206 -2.224
97 H PHE 38 HN PHE 38 9.902 -0.470 -1.308
98 HA PHE 38 HA PHE 38 7.659 -1.314 -2.714
99 HB2 PHE 38 HB2 PHE 38 9.862 -2.208 -3.190
100 HB3 PHE 38 HB1 PHE 38 9.931 -2.946 -1.597
101 HD1 PHE 38 HD1 PHE 38 7.795 -2.947 -4.649
102 HD2 PHE 38 HD2 PHE 38 9.400 -5.177 -1.400
103 HE1 PHE 38 HE1 PHE 38 6.786 -4.996 -5.562
104 HE2 PHE 38 HE2 PHE 38 8.395 -7.230 -2.308
105 HZ PHE 38 HZ PHE 38 7.086 -7.142 -4.392
106 H LEU 39 HN LEU 39 8.568 -1.769 0.613
107 HA LEU 39 HA LEU 39 6.521 -3.730 1.149
108 HB2 LEU 39 HB2 LEU 39 8.458 -2.200 2.873
109 HB3 LEU 39 HB1 LEU 39 7.198 -3.194 3.575
110 HG LEU 39 HG LEU 39 9.265 -4.427 3.549
111 HD11 LEU 39 HD11 LEU 39 7.208 -5.684 3.146
112 HD12 LEU 39 HD12 LEU 39 8.587 -6.411 2.323
113 HD13 LEU 39 HD13 LEU 39 7.414 -5.462 1.409
114 HD21 LEU 39 HD21 LEU 39 10.384 -3.228 1.740
115 HD22 LEU 39 HD22 LEU 39 9.301 -3.979 0.569
116 HD23 LEU 39 HD23 LEU 39 10.435 -4.972 1.482
117 H ILE 40 HN ILE 40 6.906 -0.285 1.290
118 HA ILE 40 HA ILE 40 4.683 0.287 2.973
119 HB ILE 40 HB ILE 40 6.137 2.012 0.963
120 HG12 ILE 40 HG12 ILE 40 6.299 1.953 3.984
121 HG13 ILE 40 HG11 ILE 40 7.460 1.183 2.909
122 HG21 ILE 40 HG21 ILE 40 5.084 3.925 2.060
123 HG22 ILE 40 HG22 ILE 40 4.143 2.829 3.073
124 HG23 ILE 40 HG23 ILE 40 3.882 2.862 1.329
125 HD11 ILE 40 HD11 ILE 40 8.028 3.370 1.971
126 HD12 ILE 40 HD12 ILE 40 8.298 3.305 3.713
127 HD13 ILE 40 HD13 ILE 40 6.878 4.130 3.072
128 H VAL 41 HN VAL 41 5.128 -0.111 -0.486
129 HA VAL 41 HA VAL 41 2.496 0.802 -1.182
130 HB VAL 41 HB VAL 41 4.480 -0.785 -2.821
131 HG11 VAL 41 HG11 VAL 41 2.276 -1.022 -3.744
132 HG12 VAL 41 HG12 VAL 41 3.185 0.105 -4.749
133 HG13 VAL 41 HG13 VAL 41 1.984 0.712 -3.609
134 HG21 VAL 41 HG21 VAL 41 5.368 1.377 -2.085
135 HG22 VAL 41 HG22 VAL 41 3.951 2.185 -2.756
136 HG23 VAL 41 HG23 VAL 41 5.080 1.352 -3.826
137 H ALA 42 HN ALA 42 4.098 -2.356 -0.926
138 HA ALA 42 HA ALA 42 2.023 -3.988 -1.770
139 HB1 ALA 42 HB1 ALA 42 4.064 -4.573 0.373
140 HB2 ALA 42 HB2 ALA 42 4.287 -4.801 -1.361
141 HB3 ALA 42 HB3 ALA 42 3.099 -5.770 -0.490
142 H GLY 43 HN GLY 43 2.566 -2.481 1.363
143 HA2 GLY 43 HA2 GLY 43 0.357 -3.878 2.607
144 HA3 GLY 43 HA1 GLY 43 1.336 -2.612 3.332
145 H ALA 44 HN ALA 44 0.835 -0.915 0.887
146 HA ALA 44 HA ALA 44 -1.503 0.402 1.904
147 HB1 ALA 44 HB1 ALA 44 0.107 1.031 -0.566
148 HB2 ALA 44 HB2 ALA 44 0.445 1.645 1.052
149 HB3 ALA 44 HB3 ALA 44 -1.052 2.094 0.234
150 H THR 45 HN THR 45 -0.848 -1.899 -0.573
151 HA THR 45 HA THR 45 -3.039 -1.343 -2.284
152 HB THR 45 HB THR 45 -2.728 -3.666 -3.118
153 HG1 THR 45 HG1 THR 45 -0.550 -4.478 -2.058
154 HG21 THR 45 HG21 THR 45 -0.193 -2.057 -2.797
155 HG22 THR 45 HG22 THR 45 -1.398 -1.864 -4.070
156 HG23 THR 45 HG23 THR 45 -0.443 -3.343 -3.977
157 H THR 46 HN THR 46 -2.679 -3.217 0.650
158 HA THR 46 HA THR 46 -5.135 -4.625 0.484
159 HB THR 46 HB THR 46 -3.563 -3.873 2.959
160 HG1 THR 46 HG1 THR 46 -3.253 -6.416 2.341
161 HG21 THR 46 HG21 THR 46 -4.699 -5.797 3.985
162 HG22 THR 46 HG22 THR 46 -5.639 -6.023 2.510
163 HG23 THR 46 HG23 THR 46 -5.852 -4.562 3.475
164 H LEU 47 HN LEU 47 -4.215 -1.472 1.699
165 HA LEU 47 HA LEU 47 -6.712 -0.957 3.013
166 HB2 LEU 47 HB2 LEU 47 -4.342 0.088 3.400
167 HB3 LEU 47 HB1 LEU 47 -4.823 1.192 2.126
168 HG LEU 47 HG LEU 47 -6.507 0.789 4.588
169 HD11 LEU 47 HD11 LEU 47 -4.258 1.466 5.287
170 HD12 LEU 47 HD12 LEU 47 -5.441 2.747 5.548
171 HD13 LEU 47 HD13 LEU 47 -4.333 2.836 4.179
172 HD21 LEU 47 HD21 LEU 47 -6.302 2.984 2.529
173 HD22 LEU 47 HD22 LEU 47 -7.296 3.055 3.983
174 HD23 LEU 47 HD23 LEU 47 -7.637 1.851 2.741
175 H PHE 48 HN PHE 48 -5.230 -0.028 -0.066
176 HA PHE 48 HA PHE 48 -7.262 1.684 -0.964
177 HB2 PHE 48 HB2 PHE 48 -5.064 1.619 -2.020
178 HB3 PHE 48 HB1 PHE 48 -5.342 -0.035 -2.551
179 HD1 PHE 48 HD1 PHE 48 -6.541 3.447 -2.945
180 HD2 PHE 48 HD2 PHE 48 -6.413 -0.480 -4.579
181 HE1 PHE 48 HE1 PHE 48 -7.516 4.292 -5.041
182 HE2 PHE 48 HE2 PHE 48 -7.387 0.358 -6.679
183 HZ PHE 48 HZ PHE 48 -7.939 2.746 -6.912
184 H CYS 49 HN CYS 49 -6.803 -1.802 -1.342
185 HA CYS 49 HA CYS 49 -9.140 -2.146 -2.965
186 HB2 CYS 49 HB2 CYS 49 -7.246 -3.695 -3.131
187 HB3 CYS 49 HB1 CYS 49 -7.481 -4.180 -1.455
188 HG CYS 49 HG CYS 49 -10.293 -4.908 -2.354
189 H LEU 50 HN LEU 50 -8.473 -1.989 0.407
190 HA LEU 50 HA LEU 50 -10.596 -3.493 1.448
191 HB2 LEU 50 HB2 LEU 50 -8.538 -2.194 2.554
192 HB3 LEU 50 HB1 LEU 50 -9.782 -0.993 2.838
193 HG LEU 50 HG LEU 50 -11.131 -2.808 3.963
194 HD11 LEU 50 HD11 LEU 50 -10.019 -4.739 3.008
195 HD12 LEU 50 HD12 LEU 50 -9.884 -4.765 4.766
196 HD13 LEU 50 HD13 LEU 50 -8.503 -4.277 3.783
197 HD21 LEU 50 HD21 LEU 50 -9.847 -2.686 6.049
198 HD22 LEU 50 HD22 LEU 50 -9.930 -1.122 5.238
199 HD23 LEU 50 HD23 LEU 50 -8.454 -2.084 5.149
200 H LEU 51 HN LEU 51 -10.396 -0.066 0.562
201 HA LEU 51 HA LEU 51 -13.144 0.440 1.249
202 HB2 LEU 51 HB2 LEU 51 -11.332 2.184 -0.409
203 HB3 LEU 51 HB1 LEU 51 -12.753 2.672 0.495
204 HG LEU 51 HG LEU 51 -10.168 1.699 1.715
205 HD11 LEU 51 HD11 LEU 51 -11.333 4.474 1.562
206 HD12 LEU 51 HD12 LEU 51 -9.941 3.887 0.652
207 HD13 LEU 51 HD13 LEU 51 -9.858 4.010 2.409
208 HD21 LEU 51 HD21 LEU 51 -12.664 2.820 2.985
209 HD22 LEU 51 HD22 LEU 51 -11.156 2.459 3.827
210 HD23 LEU 51 HD23 LEU 51 -12.092 1.155 3.097
211 H HIS 52 HN HIS 52 -11.404 -0.596 -1.544
212 HA HIS 52 HA HIS 52 -13.208 0.211 -3.555
213 HB2 HIS 52 HB2 HIS 52 -10.916 -0.546 -4.033
214 HB3 HIS 52 HB1 HIS 52 -11.342 -2.171 -3.507
215 HD1 HIS 52 HD1 HIS 52 -12.258 0.318 -6.219
216 HD2 HIS 52 HD2 HIS 52 -12.330 -3.770 -5.479
217 HE1 HIS 52 HE1 HIS 52 -12.957 -0.746 -8.388
218 HE2 HIS 52 HE2 HIS 52 -13.080 -3.213 -7.890
219 H PHE 53 HN PHE 53 -13.333 -2.287 -1.197
220 HA PHE 53 HA PHE 53 -15.011 -4.146 -2.446
221 HB2 PHE 53 HB2 PHE 53 -13.820 -4.527 -0.302
222 HB3 PHE 53 HB1 PHE 53 -14.925 -3.408 0.488
223 HD1 PHE 53 HD1 PHE 53 -14.644 -6.689 -1.153
224 HD2 PHE 53 HD2 PHE 53 -17.113 -4.076 1.123
225 HE1 PHE 53 HE1 PHE 53 -16.197 -8.545 -0.714
226 HE2 PHE 53 HE2 PHE 53 -18.672 -5.928 1.566
227 HZ PHE 53 HZ PHE 53 -18.213 -8.166 0.649
228 H GLY 54 HN GLY 54 -15.634 -0.976 -1.317
229 HA2 GLY 54 HA2 GLY 54 -17.692 0.049 -2.187
230 HA3 GLY 54 HA1 GLY 54 -18.531 -1.415 -1.697
231 H VAL 55 HN VAL 55 -16.083 -0.176 0.388
232 HA VAL 55 HA VAL 55 -17.921 0.153 2.532
233 HB VAL 55 HB VAL 55 -15.042 1.055 2.377
234 HG11 VAL 55 HG11 VAL 55 -16.850 0.576 4.743
235 HG12 VAL 55 HG12 VAL 55 -16.233 2.133 4.189
236 HG13 VAL 55 HG13 VAL 55 -15.123 0.923 4.835
237 HG21 VAL 55 HG21 VAL 55 -14.508 -1.052 3.495
238 HG22 VAL 55 HG22 VAL 55 -15.266 -1.336 1.929
239 HG23 VAL 55 HG23 VAL 55 -16.203 -1.531 3.410
240 H ILE 56 HN ILE 56 -16.393 2.318 0.265
241 HA ILE 56 HA ILE 56 -17.940 4.536 1.420
242 HB ILE 56 HB ILE 56 -16.159 6.078 0.620
243 HG12 ILE 56 HG12 ILE 56 -14.542 3.540 0.303
244 HG13 ILE 56 HG11 ILE 56 -15.165 4.505 -1.031
245 HG21 ILE 56 HG21 ILE 56 -15.281 4.023 2.643
246 HG22 ILE 56 HG22 ILE 56 -16.317 5.412 2.966
247 HG23 ILE 56 HG23 ILE 56 -14.639 5.657 2.483
248 HD11 ILE 56 HD11 ILE 56 -12.827 4.979 -0.654
249 HD12 ILE 56 HD12 ILE 56 -13.160 5.399 1.026
250 HD13 ILE 56 HD13 ILE 56 -13.804 6.398 -0.277
251 H GLY 57 HN GLY 57 -17.038 2.760 -1.343
252 HA2 GLY 57 HA2 GLY 57 -18.116 2.718 -3.408
253 HA3 GLY 57 HA1 GLY 57 -18.992 4.169 -2.945
254 HA PRO 58 HA PRO 58 -15.838 5.494 -6.038
255 HB2 PRO 58 HB2 PRO 58 -17.457 6.994 -7.570
256 HB3 PRO 58 HB1 PRO 58 -17.386 5.236 -7.736
257 HG2 PRO 58 HG2 PRO 58 -19.406 6.923 -6.311
258 HG3 PRO 58 HG1 PRO 58 -19.662 5.511 -7.352
259 HD2 PRO 58 HD2 PRO 58 -19.675 5.407 -4.615
260 HD3 PRO 58 HD1 PRO 58 -19.247 4.032 -5.653
261 H GLN 59 HN GLN 59 -17.153 6.771 -3.434
262 HA GLN 59 HA GLN 59 -16.378 9.544 -4.048
263 HB2 GLN 59 HB2 GLN 59 -18.144 8.487 -1.833
264 HB3 GLN 59 HB1 GLN 59 -17.714 10.175 -2.064
265 HG2 GLN 59 HG2 GLN 59 -19.254 8.489 -4.024
266 HG3 GLN 59 HG1 GLN 59 -19.954 9.654 -2.900
267 HE21 GLN 59 HE21 GLN 59 -19.669 11.851 -3.267
268 HE22 GLN 59 HE22 GLN 59 -19.147 12.470 -4.793
269 H ARG 60 HN ARG 60 -14.172 9.339 -3.714
270 HA ARG 60 HA ARG 60 -13.238 8.346 -1.135
271 HB2 ARG 60 HB2 ARG 60 -12.045 7.619 -3.146
272 HB3 ARG 60 HB1 ARG 60 -11.701 9.292 -3.561
273 HG2 ARG 60 HG2 ARG 60 -10.337 9.524 -1.560
274 HG3 ARG 60 HG1 ARG 60 -10.707 7.860 -1.106
275 HD2 ARG 60 HD2 ARG 60 -9.623 7.056 -3.140
276 HD3 ARG 60 HD1 ARG 60 -9.274 8.717 -3.618
277 HE ARG 60 HE ARG 60 -8.177 8.318 -1.089
278 HH11 ARG 60 HH11 ARG 60 -7.750 7.146 -4.345
279 HH12 ARG 60 HH12 ARG 60 -6.062 6.818 -4.141
280 HH21 ARG 60 HH21 ARG 60 -5.955 7.890 -0.816
281 HH22 ARG 60 HH22 ARG 60 -5.042 7.241 -2.136
Start of MODEL 2
1 H1 ARG 28 HT1 ARG 28 22.085 -18.909 -0.144
2 H2 ARG 28 HT2 ARG 28 22.480 -18.323 1.392
3 H3 ARG 28 HT3 ARG 28 21.780 -17.293 0.250
4 HA ARG 28 HA ARG 28 19.739 -18.509 0.292
5 HB2 ARG 28 HB2 ARG 28 19.384 -20.419 1.666
6 HB3 ARG 28 HB1 ARG 28 20.877 -20.710 0.785
7 HG2 ARG 28 HG2 ARG 28 20.854 -19.613 3.581
8 HG3 ARG 28 HG1 ARG 28 20.837 -21.343 3.238
9 HD2 ARG 28 HD2 ARG 28 22.943 -19.379 2.341
10 HD3 ARG 28 HD1 ARG 28 23.105 -20.537 3.658
11 HE ARG 28 HE ARG 28 22.450 -21.715 1.109
12 HH11 ARG 28 HH11 ARG 28 25.008 -20.678 3.238
13 HH12 ARG 28 HH12 ARG 28 26.188 -21.738 2.544
14 HH21 ARG 28 HH21 ARG 28 23.998 -23.116 0.193
15 HH22 ARG 28 HH22 ARG 28 25.615 -23.123 0.814
16 H ARG 29 HN ARG 29 21.579 -16.544 1.957
17 HA ARG 29 HA ARG 29 19.700 -16.191 4.192
18 HB2 ARG 29 HB2 ARG 29 21.525 -14.726 5.147
19 HB3 ARG 29 HB1 ARG 29 21.904 -16.439 5.037
20 HG2 ARG 29 HG2 ARG 29 23.162 -15.999 2.965
21 HG3 ARG 29 HG1 ARG 29 22.831 -14.276 3.161
22 HD2 ARG 29 HD2 ARG 29 24.038 -14.236 5.248
23 HD3 ARG 29 HD1 ARG 29 24.266 -15.983 5.190
24 HE ARG 29 HE ARG 29 25.437 -14.202 3.157
25 HH11 ARG 29 HH11 ARG 29 25.719 -16.746 5.522
26 HH12 ARG 29 HH12 ARG 29 27.373 -17.094 5.140
27 HH21 ARG 29 HH21 ARG 29 27.615 -14.650 2.651
28 HH22 ARG 29 HH22 ARG 29 28.450 -15.902 3.508
29 H CYS 30 HN CYS 30 19.456 -13.840 4.873
30 HA CYS 30 HA CYS 30 18.641 -12.324 2.518
31 HB2 CYS 30 HB2 CYS 30 18.068 -11.970 5.464
32 HB3 CYS 30 HB1 CYS 30 17.472 -10.888 4.211
33 HG CYS 30 HG CYS 30 16.595 -13.798 3.194
34 H LEU 31 HN LEU 31 19.948 -10.831 1.696
35 HA LEU 31 HA LEU 31 21.964 -9.590 3.422
36 HB2 LEU 31 HB2 LEU 31 21.736 -9.986 0.457
37 HB3 LEU 31 HB1 LEU 31 22.820 -8.782 1.115
38 HG LEU 31 HG LEU 31 24.057 -10.793 0.625
39 HD11 LEU 31 HD11 LEU 31 25.047 -11.244 2.803
40 HD12 LEU 31 HD12 LEU 31 23.663 -10.495 3.599
41 HD13 LEU 31 HD13 LEU 31 24.736 -9.520 2.594
42 HD21 LEU 31 HD21 LEU 31 23.566 -12.913 1.736
43 HD22 LEU 31 HD22 LEU 31 22.222 -12.391 0.720
44 HD23 LEU 31 HD23 LEU 31 22.130 -12.198 2.471
45 H PHE 32 HN PHE 32 20.051 -8.546 0.598
46 HA PHE 32 HA PHE 32 19.442 -6.050 2.036
47 HB2 PHE 32 HB2 PHE 32 20.156 -6.330 -0.891
48 HB3 PHE 32 HB1 PHE 32 19.628 -4.840 -0.117
49 HD1 PHE 32 HD1 PHE 32 22.369 -7.204 -0.539
50 HD2 PHE 32 HD2 PHE 32 21.090 -3.643 1.406
51 HE1 PHE 32 HE1 PHE 32 24.703 -6.691 0.043
52 HE2 PHE 32 HE2 PHE 32 23.422 -3.120 1.991
53 HZ PHE 32 HZ PHE 32 25.228 -4.646 1.326
54 H LEU 33 HN LEU 33 18.506 -8.335 -0.461
55 HA LEU 33 HA LEU 33 16.546 -8.662 -1.597
56 HB2 LEU 33 HB2 LEU 33 14.730 -9.358 -0.092
57 HB3 LEU 33 HB1 LEU 33 16.281 -10.050 0.324
58 HG LEU 33 HG LEU 33 15.487 -7.574 1.761
59 HD11 LEU 33 HD11 LEU 33 13.406 -8.849 1.746
60 HD12 LEU 33 HD12 LEU 33 14.131 -8.836 3.353
61 HD13 LEU 33 HD13 LEU 33 14.266 -10.272 2.338
62 HD21 LEU 33 HD21 LEU 33 16.604 -8.699 3.602
63 HD22 LEU 33 HD22 LEU 33 17.633 -8.693 2.170
64 HD23 LEU 33 HD23 LEU 33 16.771 -10.161 2.631
65 HA PRO 34 HA PRO 34 14.895 -4.442 -2.003
66 HB2 PRO 34 HB2 PRO 34 13.852 -4.890 -4.494
67 HB3 PRO 34 HB1 PRO 34 15.530 -4.418 -4.203
68 HG2 PRO 34 HG2 PRO 34 14.386 -7.139 -4.704
69 HG3 PRO 34 HG1 PRO 34 15.865 -6.409 -5.358
70 HD2 PRO 34 HD2 PRO 34 15.939 -8.166 -3.325
71 HD3 PRO 34 HD1 PRO 34 17.063 -6.796 -3.414
72 H LEU 35 HN LEU 35 13.500 -7.464 -1.705
73 HA LEU 35 HA LEU 35 10.801 -7.042 -2.322
74 HB2 LEU 35 HB2 LEU 35 12.321 -9.117 -1.351
75 HB3 LEU 35 HB1 LEU 35 11.317 -8.722 0.029
76 HG LEU 35 HG LEU 35 10.322 -10.511 -1.282
77 HD11 LEU 35 HD11 LEU 35 8.860 -8.898 -0.125
78 HD12 LEU 35 HD12 LEU 35 8.110 -9.603 -1.557
79 HD13 LEU 35 HD13 LEU 35 8.754 -7.964 -1.617
80 HD21 LEU 35 HD21 LEU 35 11.279 -9.971 -3.452
81 HD22 LEU 35 HD22 LEU 35 10.278 -8.522 -3.547
82 HD23 LEU 35 HD23 LEU 35 9.525 -10.116 -3.560
83 H PHE 36 HN PHE 36 12.707 -5.623 0.076
84 HA PHE 36 HA PHE 36 10.914 -5.361 2.217
85 HB2 PHE 36 HB2 PHE 36 13.321 -4.855 2.378
86 HB3 PHE 36 HB1 PHE 36 13.090 -3.447 1.347
87 HD1 PHE 36 HD1 PHE 36 12.339 -1.397 2.231
88 HD2 PHE 36 HD2 PHE 36 12.250 -4.910 4.632
89 HE1 PHE 36 HE1 PHE 36 11.851 -0.025 4.214
90 HE2 PHE 36 HE2 PHE 36 11.760 -3.544 6.619
91 HZ PHE 36 HZ PHE 36 11.559 -1.099 6.411
92 H SER 37 HN SER 37 11.655 -2.993 -0.359
93 HA SER 37 HA SER 37 9.707 -1.128 0.379
94 HB2 SER 37 HB2 SER 37 10.614 -1.594 -2.451
95 HB3 SER 37 HB1 SER 37 10.072 -0.085 -1.725
96 HG SER 37 HG SER 37 12.247 0.054 -1.712
97 H PHE 38 HN PHE 38 9.446 -4.097 -1.416
98 HA PHE 38 HA PHE 38 7.044 -3.647 -2.768
99 HB2 PHE 38 HB2 PHE 38 8.519 -5.627 -3.098
100 HB3 PHE 38 HB1 PHE 38 7.950 -6.246 -1.555
101 HD1 PHE 38 HD1 PHE 38 5.814 -7.272 -1.336
102 HD2 PHE 38 HD2 PHE 38 6.981 -5.472 -5.010
103 HE1 PHE 38 HE1 PHE 38 3.905 -8.343 -2.462
104 HE2 PHE 38 HE2 PHE 38 5.075 -6.538 -6.144
105 HZ PHE 38 HZ PHE 38 3.533 -7.975 -4.868
106 H LEU 39 HN LEU 39 7.686 -4.649 0.541
107 HA LEU 39 HA LEU 39 4.942 -5.098 1.211
108 HB2 LEU 39 HB2 LEU 39 7.499 -4.879 2.757
109 HB3 LEU 39 HB1 LEU 39 5.971 -4.841 3.611
110 HG LEU 39 HG LEU 39 6.937 -7.085 3.613
111 HD11 LEU 39 HD11 LEU 39 4.996 -8.314 2.789
112 HD12 LEU 39 HD12 LEU 39 4.463 -6.887 1.902
113 HD13 LEU 39 HD13 LEU 39 4.510 -6.863 3.665
114 HD21 LEU 39 HD21 LEU 39 8.189 -6.976 1.536
115 HD22 LEU 39 HD22 LEU 39 6.688 -6.917 0.612
116 HD23 LEU 39 HD23 LEU 39 7.103 -8.366 1.528
117 H ILE 40 HN ILE 40 7.069 -2.379 1.119
118 HA ILE 40 HA ILE 40 5.596 -0.655 2.835
119 HB ILE 40 HB ILE 40 7.777 -0.284 0.827
120 HG12 ILE 40 HG12 ILE 40 7.482 0.559 3.716
121 HG13 ILE 40 HG11 ILE 40 8.237 -0.936 3.175
122 HG21 ILE 40 HG21 ILE 40 7.735 2.163 1.235
123 HG22 ILE 40 HG22 ILE 40 6.158 1.967 2.005
124 HG23 ILE 40 HG23 ILE 40 6.363 1.577 0.297
125 HD11 ILE 40 HD11 ILE 40 9.191 1.855 2.579
126 HD12 ILE 40 HD12 ILE 40 9.942 0.369 1.997
127 HD13 ILE 40 HD13 ILE 40 9.908 0.721 3.725
128 H VAL 41 HN VAL 41 5.579 -1.282 -0.635
129 HA VAL 41 HA VAL 41 3.602 0.760 -1.158
130 HB VAL 41 HB VAL 41 4.681 -1.403 -2.977
131 HG11 VAL 41 HG11 VAL 41 2.520 -0.587 -3.735
132 HG12 VAL 41 HG12 VAL 41 3.799 0.004 -4.794
133 HG13 VAL 41 HG13 VAL 41 3.079 1.080 -3.597
134 HG21 VAL 41 HG21 VAL 41 6.417 0.135 -2.195
135 HG22 VAL 41 HG22 VAL 41 5.451 1.505 -2.744
136 HG23 VAL 41 HG23 VAL 41 6.090 0.351 -3.914
137 H ALA 42 HN ALA 42 3.714 -2.726 -0.760
138 HA ALA 42 HA ALA 42 1.143 -3.341 -1.712
139 HB1 ALA 42 HB1 ALA 42 1.379 -5.438 -0.508
140 HB2 ALA 42 HB2 ALA 42 2.731 -4.777 0.412
141 HB3 ALA 42 HB3 ALA 42 2.887 -5.026 -1.327
142 H GLY 43 HN GLY 43 2.268 -2.071 1.339
143 HA2 GLY 43 HA2 GLY 43 -0.079 -2.639 2.847
144 HA3 GLY 43 HA1 GLY 43 1.158 -1.462 3.262
145 H ALA 44 HN ALA 44 1.037 0.291 1.169
146 HA ALA 44 HA ALA 44 -1.122 1.932 1.860
147 HB1 ALA 44 HB1 ALA 44 -0.445 3.320 -0.049
148 HB2 ALA 44 HB2 ALA 44 0.606 2.021 -0.612
149 HB3 ALA 44 HB3 ALA 44 0.937 2.820 0.926
150 H THR 45 HN THR 45 -0.779 -0.483 -0.654
151 HA THR 45 HA THR 45 -3.177 0.298 -2.042
152 HB THR 45 HB THR 45 -2.869 -1.927 -3.224
153 HG1 THR 45 HG1 THR 45 -1.619 -3.192 -2.017
154 HG21 THR 45 HG21 THR 45 -0.550 0.009 -3.246
155 HG22 THR 45 HG22 THR 45 -2.047 0.174 -4.163
156 HG23 THR 45 HG23 THR 45 -0.937 -1.150 -4.518
157 H THR 46 HN THR 46 -2.357 -1.831 0.571
158 HA THR 46 HA THR 46 -4.582 -3.556 0.472
159 HB THR 46 HB THR 46 -3.038 -2.658 2.915
160 HG1 THR 46 HG1 THR 46 -2.646 -5.054 1.450
161 HG21 THR 46 HG21 THR 46 -3.784 -4.797 3.879
162 HG22 THR 46 HG22 THR 46 -4.761 -5.093 2.440
163 HG23 THR 46 HG23 THR 46 -5.143 -3.737 3.502
164 H LEU 47 HN LEU 47 -4.213 -0.279 1.499
165 HA LEU 47 HA LEU 47 -6.658 -0.227 3.045
166 HB2 LEU 47 HB2 LEU 47 -4.752 1.175 3.679
167 HB3 LEU 47 HB1 LEU 47 -4.838 2.005 2.137
168 HG LEU 47 HG LEU 47 -7.083 2.861 2.754
169 HD11 LEU 47 HD11 LEU 47 -7.743 1.105 4.301
170 HD12 LEU 47 HD12 LEU 47 -7.819 2.684 5.082
171 HD13 LEU 47 HD13 LEU 47 -6.474 1.596 5.422
172 HD21 LEU 47 HD21 LEU 47 -4.894 3.487 4.732
173 HD22 LEU 47 HD22 LEU 47 -6.297 4.497 4.385
174 HD23 LEU 47 HD23 LEU 47 -5.085 4.213 3.136
175 H PHE 48 HN PHE 48 -5.529 1.182 -0.027
176 HA PHE 48 HA PHE 48 -7.957 2.407 -0.731
177 HB2 PHE 48 HB2 PHE 48 -5.735 2.863 -1.796
178 HB3 PHE 48 HB1 PHE 48 -5.865 1.315 -2.624
179 HD1 PHE 48 HD1 PHE 48 -7.068 1.109 -4.619
180 HD2 PHE 48 HD2 PHE 48 -7.478 4.629 -2.261
181 HE1 PHE 48 HE1 PHE 48 -8.315 2.185 -6.447
182 HE2 PHE 48 HE2 PHE 48 -8.727 5.710 -4.085
183 HZ PHE 48 HZ PHE 48 -9.158 4.487 -6.174
184 H CYS 49 HN CYS 49 -6.707 -0.826 -1.295
185 HA CYS 49 HA CYS 49 -8.940 -1.611 -2.941
186 HB2 CYS 49 HB2 CYS 49 -6.716 -3.259 -1.719
187 HB3 CYS 49 HB1 CYS 49 -7.878 -3.839 -2.906
188 HG CYS 49 HG CYS 49 -4.994 -2.714 -3.533
189 H LEU 50 HN LEU 50 -8.154 -1.583 0.399
190 HA LEU 50 HA LEU 50 -9.477 -3.681 1.524
191 HB2 LEU 50 HB2 LEU 50 -8.238 -1.690 2.607
192 HB3 LEU 50 HB1 LEU 50 -9.806 -0.910 2.634
193 HG LEU 50 HG LEU 50 -10.656 -2.890 3.950
194 HD11 LEU 50 HD11 LEU 50 -7.707 -3.490 4.125
195 HD12 LEU 50 HD12 LEU 50 -8.938 -4.493 3.358
196 HD13 LEU 50 HD13 LEU 50 -8.962 -4.246 5.104
197 HD21 LEU 50 HD21 LEU 50 -8.433 -1.250 5.163
198 HD22 LEU 50 HD22 LEU 50 -9.692 -2.104 6.055
199 HD23 LEU 50 HD23 LEU 50 -10.118 -0.755 5.001
200 H LEU 51 HN LEU 51 -10.977 -0.565 0.652
201 HA LEU 51 HA LEU 51 -13.600 -1.368 1.386
202 HB2 LEU 51 HB2 LEU 51 -12.602 0.882 -0.353
203 HB3 LEU 51 HB1 LEU 51 -14.288 0.666 0.079
204 HG LEU 51 HG LEU 51 -12.088 1.038 2.110
205 HD11 LEU 51 HD11 LEU 51 -12.208 3.026 0.740
206 HD12 LEU 51 HD12 LEU 51 -12.926 3.345 2.318
207 HD13 LEU 51 HD13 LEU 51 -13.962 3.076 0.916
208 HD21 LEU 51 HD21 LEU 51 -14.101 -0.084 2.931
209 HD22 LEU 51 HD22 LEU 51 -15.090 1.243 2.323
210 HD23 LEU 51 HD23 LEU 51 -13.935 1.528 3.624
211 H HIS 52 HN HIS 52 -12.133 -0.862 -1.831
212 HA HIS 52 HA HIS 52 -14.333 -1.795 -3.298
213 HB2 HIS 52 HB2 HIS 52 -11.403 -1.719 -4.035
214 HB3 HIS 52 HB1 HIS 52 -12.709 -2.037 -5.173
215 HD1 HIS 52 HD1 HIS 52 -10.723 0.654 -3.842
216 HD2 HIS 52 HD2 HIS 52 -14.599 0.263 -5.286
217 HE1 HIS 52 HE1 HIS 52 -11.476 2.990 -4.391
218 HE2 HIS 52 HE2 HIS 52 -13.828 2.731 -5.253
219 H PHE 53 HN PHE 53 -12.186 -3.524 -1.357
220 HA PHE 53 HA PHE 53 -11.874 -5.930 -2.752
221 HB2 PHE 53 HB2 PHE 53 -10.634 -5.373 -0.698
222 HB3 PHE 53 HB1 PHE 53 -12.119 -5.515 0.236
223 HD1 PHE 53 HD1 PHE 53 -12.744 -7.559 1.140
224 HD2 PHE 53 HD2 PHE 53 -9.836 -7.446 -1.966
225 HE1 PHE 53 HE1 PHE 53 -12.310 -9.959 1.464
226 HE2 PHE 53 HE2 PHE 53 -9.398 -9.846 -1.647
227 HZ PHE 53 HZ PHE 53 -10.633 -11.105 0.073
228 H GLY 54 HN GLY 54 -14.606 -4.602 -1.074
229 HA2 GLY 54 HA2 GLY 54 -16.794 -5.458 -1.758
230 HA3 GLY 54 HA1 GLY 54 -16.106 -7.073 -1.678
231 H VAL 55 HN VAL 55 -15.199 -4.861 0.787
232 HA VAL 55 HA VAL 55 -16.126 -6.481 2.875
233 HB VAL 55 HB VAL 55 -15.425 -3.542 2.942
234 HG11 VAL 55 HG11 VAL 55 -14.994 -3.939 5.349
235 HG12 VAL 55 HG12 VAL 55 -15.692 -5.549 5.177
236 HG13 VAL 55 HG13 VAL 55 -16.692 -4.122 4.909
237 HG21 VAL 55 HG21 VAL 55 -13.604 -4.917 2.101
238 HG22 VAL 55 HG22 VAL 55 -13.749 -5.989 3.494
239 HG23 VAL 55 HG23 VAL 55 -13.230 -4.319 3.718
240 H ILE 56 HN ILE 56 -17.646 -3.907 1.108
241 HA ILE 56 HA ILE 56 -20.005 -4.124 2.854
242 HB ILE 56 HB ILE 56 -20.642 -1.866 1.917
243 HG12 ILE 56 HG12 ILE 56 -17.732 -1.866 1.082
244 HG13 ILE 56 HG11 ILE 56 -19.108 -1.907 -0.015
245 HG21 ILE 56 HG21 ILE 56 -19.783 -2.169 4.182
246 HG22 ILE 56 HG22 ILE 56 -19.225 -0.647 3.488
247 HG23 ILE 56 HG23 ILE 56 -18.132 -2.028 3.579
248 HD11 ILE 56 HD11 ILE 56 -19.806 0.296 0.822
249 HD12 ILE 56 HD12 ILE 56 -18.196 0.319 0.101
250 HD13 ILE 56 HD13 ILE 56 -18.378 0.335 1.855
251 H GLY 57 HN GLY 57 -18.758 -4.550 -0.270
252 HA2 GLY 57 HA2 GLY 57 -19.684 -5.276 -2.243
253 HA3 GLY 57 HA1 GLY 57 -20.997 -5.900 -1.255
254 HA PRO 58 HA PRO 58 -22.803 -2.540 -3.848
255 HB2 PRO 58 HB2 PRO 58 -24.816 -3.929 -4.935
256 HB3 PRO 58 HB1 PRO 58 -23.169 -4.049 -5.566
257 HG2 PRO 58 HG2 PRO 58 -24.656 -5.929 -3.779
258 HG3 PRO 58 HG1 PRO 58 -23.578 -6.292 -5.138
259 HD2 PRO 58 HD2 PRO 58 -22.835 -6.383 -2.481
260 HD3 PRO 58 HD1 PRO 58 -21.710 -6.168 -3.835
261 H GLN 59 HN GLN 59 -23.170 -3.030 -1.016
262 HA GLN 59 HA GLN 59 -24.596 -2.543 0.681
263 HB2 GLN 59 HB2 GLN 59 -26.125 -1.217 -1.563
264 HB3 GLN 59 HB1 GLN 59 -26.506 -1.024 0.143
265 HG2 GLN 59 HG2 GLN 59 -23.829 -0.332 -1.028
266 HG3 GLN 59 HG1 GLN 59 -25.159 0.818 -0.908
267 HE21 GLN 59 HE21 GLN 59 -24.011 2.154 0.476
268 HE22 GLN 59 HE22 GLN 59 -23.713 1.741 2.127
269 H ARG 60 HN ARG 60 -25.022 -4.819 0.905
270 HA ARG 60 HA ARG 60 -27.454 -5.872 -0.267
271 HB2 ARG 60 HB2 ARG 60 -25.492 -7.091 1.685
272 HB3 ARG 60 HB1 ARG 60 -26.861 -7.937 0.979
273 HG2 ARG 60 HG2 ARG 60 -25.905 -7.635 -1.248
274 HG3 ARG 60 HG1 ARG 60 -24.530 -6.784 -0.538
275 HD2 ARG 60 HD2 ARG 60 -23.926 -8.785 0.717
276 HD3 ARG 60 HD1 ARG 60 -25.320 -9.635 0.054
277 HE ARG 60 HE ARG 60 -23.922 -8.813 -2.139
278 HH11 ARG 60 HH11 ARG 60 -23.156 -10.682 0.700
279 HH12 ARG 60 HH12 ARG 60 -21.965 -11.652 -0.101
280 HH21 ARG 60 HH21 ARG 60 -22.360 -10.089 -3.204
281 HH22 ARG 60 HH22 ARG 60 -21.513 -11.316 -2.321
Start of MODEL 3
1 H1 ARG 28 HT1 ARG 28 23.347 1.510 4.399
2 H2 ARG 28 HT2 ARG 28 21.774 1.739 3.824
3 H3 ARG 28 HT3 ARG 28 22.206 2.313 5.356
4 HA ARG 28 HA ARG 28 22.078 4.095 3.721
5 HB2 ARG 28 HB2 ARG 28 24.322 5.054 4.175
6 HB3 ARG 28 HB1 ARG 28 23.560 4.385 5.611
7 HG2 ARG 28 HG2 ARG 28 24.946 2.429 5.505
8 HG3 ARG 28 HG1 ARG 28 25.622 2.945 3.958
9 HD2 ARG 28 HD2 ARG 28 25.917 4.404 6.582
10 HD3 ARG 28 HD1 ARG 28 27.148 3.395 5.825
11 HE ARG 28 HE ARG 28 26.160 5.599 4.221
12 HH11 ARG 28 HH11 ARG 28 28.599 4.440 6.424
13 HH12 ARG 28 HH12 ARG 28 29.765 5.635 5.963
14 HH21 ARG 28 HH21 ARG 28 27.689 7.174 3.609
15 HH22 ARG 28 HH22 ARG 28 29.247 7.191 4.364
16 H ARG 29 HN ARG 29 22.693 1.433 2.282
17 HA ARG 29 HA ARG 29 24.268 2.624 0.095
18 HB2 ARG 29 HB2 ARG 29 24.907 0.314 -0.531
19 HB3 ARG 29 HB1 ARG 29 25.478 0.770 1.067
20 HG2 ARG 29 HG2 ARG 29 23.693 -0.494 2.101
21 HG3 ARG 29 HG1 ARG 29 23.031 -0.894 0.515
22 HD2 ARG 29 HD2 ARG 29 24.345 -2.742 1.452
23 HD3 ARG 29 HD1 ARG 29 25.046 -2.125 -0.044
24 HE ARG 29 HE ARG 29 26.337 -0.759 1.940
25 HH11 ARG 29 HH11 ARG 29 25.854 -4.126 1.178
26 HH12 ARG 29 HH12 ARG 29 27.366 -4.629 1.856
27 HH21 ARG 29 HH21 ARG 29 28.333 -1.415 2.832
28 HH22 ARG 29 HH22 ARG 29 28.774 -3.089 2.795
29 H CYS 30 HN CYS 30 23.444 2.596 -1.933
30 HA CYS 30 HA CYS 30 20.653 2.234 -2.264
31 HB2 CYS 30 HB2 CYS 30 22.820 2.566 -4.351
32 HB3 CYS 30 HB1 CYS 30 21.090 2.715 -4.646
33 HG CYS 30 HG CYS 30 21.744 4.733 -2.203
34 H LEU 31 HN LEU 31 20.115 0.113 -1.764
35 HA LEU 31 HA LEU 31 20.605 -1.791 -3.906
36 HB2 LEU 31 HB2 LEU 31 22.414 -2.177 -2.258
37 HB3 LEU 31 HB1 LEU 31 21.202 -2.469 -1.025
38 HG LEU 31 HG LEU 31 20.382 -4.406 -2.381
39 HD11 LEU 31 HD11 LEU 31 22.879 -3.869 -3.981
40 HD12 LEU 31 HD12 LEU 31 21.219 -3.712 -4.556
41 HD13 LEU 31 HD13 LEU 31 21.853 -5.298 -4.119
42 HD21 LEU 31 HD21 LEU 31 23.266 -4.470 -1.505
43 HD22 LEU 31 HD22 LEU 31 22.245 -5.883 -1.770
44 HD23 LEU 31 HD23 LEU 31 21.855 -4.743 -0.482
45 H PHE 32 HN PHE 32 19.191 -1.505 -0.645
46 HA PHE 32 HA PHE 32 16.786 -2.859 -1.666
47 HB2 PHE 32 HB2 PHE 32 16.307 -3.422 0.697
48 HB3 PHE 32 HB1 PHE 32 17.841 -4.085 0.146
49 HD1 PHE 32 HD1 PHE 32 16.200 -1.878 2.481
50 HD2 PHE 32 HD2 PHE 32 19.967 -3.024 0.869
51 HE1 PHE 32 HE1 PHE 32 17.335 -0.808 4.384
52 HE2 PHE 32 HE2 PHE 32 21.110 -1.958 2.768
53 HZ PHE 32 HZ PHE 32 19.794 -0.848 4.530
54 H LEU 33 HN LEU 33 17.917 0.148 -1.028
55 HA LEU 33 HA LEU 33 15.893 1.346 0.500
56 HB2 LEU 33 HB2 LEU 33 18.200 2.257 -0.354
57 HB3 LEU 33 HB1 LEU 33 17.251 2.840 -1.707
58 HG LEU 33 HG LEU 33 16.634 3.530 1.164
59 HD11 LEU 33 HD11 LEU 33 18.846 4.367 0.594
60 HD12 LEU 33 HD12 LEU 33 17.685 5.691 0.708
61 HD13 LEU 33 HD13 LEU 33 18.201 5.104 -0.873
62 HD21 LEU 33 HD21 LEU 33 14.732 3.786 -0.281
63 HD22 LEU 33 HD22 LEU 33 15.701 4.649 -1.475
64 HD23 LEU 33 HD23 LEU 33 15.375 5.383 0.095
65 HA PRO 34 HA PRO 34 13.669 2.355 -3.688
66 HB2 PRO 34 HB2 PRO 34 14.691 0.358 -5.577
67 HB3 PRO 34 HB1 PRO 34 14.531 2.104 -5.775
68 HG2 PRO 34 HG2 PRO 34 16.932 0.908 -5.535
69 HG3 PRO 34 HG1 PRO 34 16.616 2.531 -4.893
70 HD2 PRO 34 HD2 PRO 34 16.715 -0.094 -3.449
71 HD3 PRO 34 HD1 PRO 34 17.371 1.484 -2.965
72 H LEU 35 HN LEU 35 14.554 -0.854 -2.711
73 HA LEU 35 HA LEU 35 12.125 -2.087 -3.668
74 HB2 LEU 35 HB2 LEU 35 14.323 -3.274 -3.523
75 HB3 LEU 35 HB1 LEU 35 14.202 -3.193 -1.778
76 HG LEU 35 HG LEU 35 11.910 -4.433 -3.184
77 HD11 LEU 35 HD11 LEU 35 13.777 -5.343 -4.452
78 HD12 LEU 35 HD12 LEU 35 13.070 -6.575 -3.406
79 HD13 LEU 35 HD13 LEU 35 14.588 -5.798 -2.954
80 HD21 LEU 35 HD21 LEU 35 11.992 -4.261 -0.749
81 HD22 LEU 35 HD22 LEU 35 13.511 -5.158 -0.730
82 HD23 LEU 35 HD23 LEU 35 12.027 -5.947 -1.266
83 H PHE 36 HN PHE 36 13.212 -0.473 -0.835
84 HA PHE 36 HA PHE 36 11.551 -1.637 1.099
85 HB2 PHE 36 HB2 PHE 36 13.453 -0.082 1.558
86 HB3 PHE 36 HB1 PHE 36 12.449 1.247 0.988
87 HD1 PHE 36 HD1 PHE 36 12.655 -1.414 3.558
88 HD2 PHE 36 HD2 PHE 36 10.951 2.317 2.424
89 HE1 PHE 36 HE1 PHE 36 11.719 -1.158 5.819
90 HE2 PHE 36 HE2 PHE 36 10.013 2.580 4.683
91 HZ PHE 36 HZ PHE 36 10.397 0.841 6.385
92 H SER 37 HN SER 37 10.900 0.637 -1.441
93 HA SER 37 HA SER 37 8.455 1.656 -0.415
94 HB2 SER 37 HB2 SER 37 9.310 1.472 -3.300
95 HB3 SER 37 HB1 SER 37 8.090 2.548 -2.634
96 HG SER 37 HG SER 37 10.753 2.892 -2.784
97 H PHE 38 HN PHE 38 9.358 -1.252 -2.032
98 HA PHE 38 HA PHE 38 6.793 -1.963 -3.024
99 HB2 PHE 38 HB2 PHE 38 9.344 -3.436 -2.539
100 HB3 PHE 38 HB1 PHE 38 7.885 -4.335 -2.930
101 HD1 PHE 38 HD1 PHE 38 10.025 -1.548 -4.152
102 HD2 PHE 38 HD2 PHE 38 7.275 -4.641 -5.139
103 HE1 PHE 38 HE1 PHE 38 10.415 -1.126 -6.543
104 HE2 PHE 38 HE2 PHE 38 7.660 -4.226 -7.533
105 HZ PHE 38 HZ PHE 38 9.231 -2.466 -8.238
106 H LEU 39 HN LEU 39 8.427 -2.309 0.030
107 HA LEU 39 HA LEU 39 6.511 -4.156 1.132
108 HB2 LEU 39 HB2 LEU 39 8.781 -2.554 2.290
109 HB3 LEU 39 HB1 LEU 39 7.676 -3.439 3.322
110 HG LEU 39 HG LEU 39 9.710 -4.714 2.952
111 HD11 LEU 39 HD11 LEU 39 7.339 -5.897 1.516
112 HD12 LEU 39 HD12 LEU 39 7.648 -5.957 3.252
113 HD13 LEU 39 HD13 LEU 39 8.722 -6.801 2.136
114 HD21 LEU 39 HD21 LEU 39 10.328 -3.769 0.780
115 HD22 LEU 39 HD22 LEU 39 8.994 -4.638 0.023
116 HD23 LEU 39 HD23 LEU 39 10.330 -5.532 0.749
117 H ILE 40 HN ILE 40 6.908 -0.747 0.847
118 HA ILE 40 HA ILE 40 4.913 -0.094 2.842
119 HB ILE 40 HB ILE 40 6.869 1.386 1.219
120 HG12 ILE 40 HG12 ILE 40 5.584 1.968 3.894
121 HG13 ILE 40 HG11 ILE 40 7.032 0.994 3.662
122 HG21 ILE 40 HG21 ILE 40 4.191 2.634 1.812
123 HG22 ILE 40 HG22 ILE 40 4.940 2.403 0.231
124 HG23 ILE 40 HG23 ILE 40 5.642 3.540 1.380
125 HD11 ILE 40 HD11 ILE 40 6.730 3.920 3.026
126 HD12 ILE 40 HD12 ILE 40 8.177 2.955 2.734
127 HD13 ILE 40 HD13 ILE 40 7.613 3.222 4.383
128 H VAL 41 HN VAL 41 5.137 -0.606 -0.577
129 HA VAL 41 HA VAL 41 2.589 0.603 -1.180
130 HB VAL 41 HB VAL 41 4.681 0.363 -2.724
131 HG11 VAL 41 HG11 VAL 41 3.214 -2.192 -3.291
132 HG12 VAL 41 HG12 VAL 41 4.813 -2.052 -2.569
133 HG13 VAL 41 HG13 VAL 41 4.550 -1.533 -4.234
134 HG21 VAL 41 HG21 VAL 41 3.223 0.513 -4.694
135 HG22 VAL 41 HG22 VAL 41 2.614 1.487 -3.355
136 HG23 VAL 41 HG23 VAL 41 1.867 -0.068 -3.726
137 H ALA 42 HN ALA 42 3.873 -2.568 -0.544
138 HA ALA 42 HA ALA 42 1.737 -4.129 -1.474
139 HB1 ALA 42 HB1 ALA 42 3.605 -4.697 0.827
140 HB2 ALA 42 HB2 ALA 42 3.909 -5.072 -0.870
141 HB3 ALA 42 HB3 ALA 42 2.600 -5.882 -0.009
142 H GLY 43 HN GLY 43 2.263 -2.474 1.595
143 HA2 GLY 43 HA2 GLY 43 -0.143 -3.560 2.778
144 HA3 GLY 43 HA1 GLY 43 0.919 -2.354 3.488
145 H ALA 44 HN ALA 44 0.862 -0.547 1.266
146 HA ALA 44 HA ALA 44 -1.392 0.995 1.948
147 HB1 ALA 44 HB1 ALA 44 -0.697 2.489 0.161
148 HB2 ALA 44 HB2 ALA 44 0.366 1.243 -0.493
149 HB3 ALA 44 HB3 ALA 44 0.705 1.951 1.087
150 H THR 45 HN THR 45 -0.819 -1.364 -0.568
151 HA THR 45 HA THR 45 -3.114 -0.700 -2.134
152 HB THR 45 HB THR 45 -2.750 -3.022 -3.118
153 HG1 THR 45 HG1 THR 45 -1.454 -3.541 -1.045
154 HG21 THR 45 HG21 THR 45 -0.451 -1.063 -3.135
155 HG22 THR 45 HG22 THR 45 -1.870 -1.018 -4.182
156 HG23 THR 45 HG23 THR 45 -0.714 -2.342 -4.321
157 H THR 46 HN THR 46 -2.541 -2.619 0.687
158 HA THR 46 HA THR 46 -4.854 -4.267 0.503
159 HB THR 46 HB THR 46 -3.321 -3.456 2.983
160 HG1 THR 46 HG1 THR 46 -1.888 -4.533 1.712
161 HG21 THR 46 HG21 THR 46 -5.554 -4.400 3.441
162 HG22 THR 46 HG22 THR 46 -4.259 -5.472 3.976
163 HG23 THR 46 HG23 THR 46 -5.134 -5.821 2.485
164 H LEU 47 HN LEU 47 -4.180 -1.107 1.882
165 HA LEU 47 HA LEU 47 -6.798 -0.885 3.091
166 HB2 LEU 47 HB2 LEU 47 -4.812 0.147 4.129
167 HB3 LEU 47 HB1 LEU 47 -4.628 1.185 2.729
168 HG LEU 47 HG LEU 47 -6.839 2.205 3.236
169 HD11 LEU 47 HD11 LEU 47 -7.818 1.823 5.455
170 HD12 LEU 47 HD12 LEU 47 -6.650 0.531 5.738
171 HD13 LEU 47 HD13 LEU 47 -7.850 0.370 4.455
172 HD21 LEU 47 HD21 LEU 47 -4.817 2.316 5.473
173 HD22 LEU 47 HD22 LEU 47 -6.071 3.514 5.150
174 HD23 LEU 47 HD23 LEU 47 -4.771 3.262 3.984
175 H PHE 48 HN PHE 48 -5.159 0.176 0.187
176 HA PHE 48 HA PHE 48 -7.135 2.056 -0.637
177 HB2 PHE 48 HB2 PHE 48 -4.797 2.101 -1.451
178 HB3 PHE 48 HB1 PHE 48 -5.078 0.583 -2.299
179 HD1 PHE 48 HD1 PHE 48 -6.184 4.116 -2.115
180 HD2 PHE 48 HD2 PHE 48 -5.961 0.571 -4.457
181 HE1 PHE 48 HE1 PHE 48 -6.966 5.371 -4.082
182 HE2 PHE 48 HE2 PHE 48 -6.742 1.819 -6.429
183 HZ PHE 48 HZ PHE 48 -7.245 4.222 -6.243
184 H CYS 49 HN CYS 49 -6.548 -1.358 -1.260
185 HA CYS 49 HA CYS 49 -8.729 -1.580 -3.135
186 HB2 CYS 49 HB2 CYS 49 -6.987 -3.672 -1.816
187 HB3 CYS 49 HB1 CYS 49 -8.197 -4.019 -3.045
188 HG CYS 49 HG CYS 49 -6.695 -1.958 -4.704
189 H LEU 50 HN LEU 50 -8.273 -1.850 0.266
190 HA LEU 50 HA LEU 50 -10.289 -3.609 1.016
191 HB2 LEU 50 HB2 LEU 50 -8.492 -2.133 2.360
192 HB3 LEU 50 HB1 LEU 50 -9.921 -1.166 2.656
193 HG LEU 50 HG LEU 50 -11.038 -3.222 3.556
194 HD11 LEU 50 HD11 LEU 50 -8.247 -4.354 3.374
195 HD12 LEU 50 HD12 LEU 50 -9.650 -4.892 2.450
196 HD13 LEU 50 HD13 LEU 50 -9.614 -5.104 4.200
197 HD21 LEU 50 HD21 LEU 50 -10.086 -1.549 5.040
198 HD22 LEU 50 HD22 LEU 50 -8.504 -2.319 4.921
199 HD23 LEU 50 HD23 LEU 50 -9.841 -3.167 5.698
200 H LEU 51 HN LEU 51 -10.465 -0.113 0.449
201 HA LEU 51 HA LEU 51 -13.140 0.272 1.132
202 HB2 LEU 51 HB2 LEU 51 -11.579 1.733 -0.998
203 HB3 LEU 51 HB1 LEU 51 -13.025 2.310 -0.193
204 HG LEU 51 HG LEU 51 -10.374 1.811 1.164
205 HD11 LEU 51 HD11 LEU 51 -10.214 4.242 1.297
206 HD12 LEU 51 HD12 LEU 51 -11.705 4.396 0.368
207 HD13 LEU 51 HD13 LEU 51 -10.270 3.696 -0.380
208 HD21 LEU 51 HD21 LEU 51 -11.403 2.991 3.054
209 HD22 LEU 51 HD22 LEU 51 -12.259 1.499 2.667
210 HD23 LEU 51 HD23 LEU 51 -12.930 3.053 2.177
211 H HIS 52 HN HIS 52 -11.691 -0.867 -1.861
212 HA HIS 52 HA HIS 52 -14.052 -0.668 -3.432
213 HB2 HIS 52 HB2 HIS 52 -11.553 -2.325 -3.811
214 HB3 HIS 52 HB1 HIS 52 -12.833 -2.176 -5.010
215 HD1 HIS 52 HD1 HIS 52 -9.710 -0.685 -4.014
216 HD2 HIS 52 HD2 HIS 52 -13.191 0.656 -5.843
217 HE1 HIS 52 HE1 HIS 52 -9.091 1.480 -5.133
218 HE2 HIS 52 HE2 HIS 52 -11.188 2.222 -6.314
219 H PHE 53 HN PHE 53 -12.918 -2.966 -1.128
220 HA PHE 53 HA PHE 53 -14.245 -5.274 -2.005
221 HB2 PHE 53 HB2 PHE 53 -12.558 -5.350 -0.247
222 HB3 PHE 53 HB1 PHE 53 -13.582 -4.387 0.811
223 HD1 PHE 53 HD1 PHE 53 -13.656 -7.576 -1.117
224 HD2 PHE 53 HD2 PHE 53 -14.867 -5.473 2.379
225 HE1 PHE 53 HE1 PHE 53 -14.658 -9.640 -0.228
226 HE2 PHE 53 HE2 PHE 53 -15.871 -7.533 3.275
227 HZ PHE 53 HZ PHE 53 -15.776 -9.613 1.978
228 H GLY 54 HN GLY 54 -15.424 -2.384 -0.515
229 HA2 GLY 54 HA2 GLY 54 -17.811 -1.934 -0.848
230 HA3 GLY 54 HA1 GLY 54 -18.111 -3.606 -0.398
231 H VAL 55 HN VAL 55 -15.769 -1.669 1.301
232 HA VAL 55 HA VAL 55 -16.867 -2.181 3.822
233 HB VAL 55 HB VAL 55 -15.009 0.062 3.028
234 HG11 VAL 55 HG11 VAL 55 -16.030 0.477 5.195
235 HG12 VAL 55 HG12 VAL 55 -14.331 0.050 5.390
236 HG13 VAL 55 HG13 VAL 55 -15.584 -1.142 5.737
237 HG21 VAL 55 HG21 VAL 55 -14.159 -2.159 2.433
238 HG22 VAL 55 HG22 VAL 55 -14.388 -2.690 4.099
239 HG23 VAL 55 HG23 VAL 55 -13.215 -1.427 3.730
240 H ILE 56 HN ILE 56 -16.999 0.739 1.839
241 HA ILE 56 HA ILE 56 -19.057 1.832 3.621
242 HB ILE 56 HB ILE 56 -18.698 3.941 2.252
243 HG12 ILE 56 HG12 ILE 56 -16.187 2.474 1.418
244 HG13 ILE 56 HG11 ILE 56 -17.558 2.787 0.358
245 HG21 ILE 56 HG21 ILE 56 -17.841 3.649 4.518
246 HG22 ILE 56 HG22 ILE 56 -16.708 4.570 3.528
247 HG23 ILE 56 HG23 ILE 56 -16.395 2.870 3.876
248 HD11 ILE 56 HD11 ILE 56 -15.790 4.383 -0.037
249 HD12 ILE 56 HD12 ILE 56 -15.809 4.859 1.662
250 HD13 ILE 56 HD13 ILE 56 -17.203 5.195 0.636
251 H GLY 57 HN GLY 57 -18.665 0.306 0.653
252 HA2 GLY 57 HA2 GLY 57 -20.155 -0.272 -0.996
253 HA3 GLY 57 HA1 GLY 57 -21.428 0.277 0.083
254 HA PRO 58 HA PRO 58 -21.715 3.348 -3.219
255 HB2 PRO 58 HB2 PRO 58 -24.265 4.055 -2.816
256 HB3 PRO 58 HB1 PRO 58 -23.843 2.508 -3.561
257 HG2 PRO 58 HG2 PRO 58 -24.676 3.094 -0.750
258 HG3 PRO 58 HG1 PRO 58 -25.141 1.742 -1.798
259 HD2 PRO 58 HD2 PRO 58 -23.202 1.609 0.159
260 HD3 PRO 58 HD1 PRO 58 -23.290 0.529 -1.244
261 H GLN 59 HN GLN 59 -20.318 4.107 -0.942
262 HA GLN 59 HA GLN 59 -19.703 5.931 0.261
263 HB2 GLN 59 HB2 GLN 59 -21.590 7.288 -1.667
264 HB3 GLN 59 HB1 GLN 59 -20.583 8.158 -0.519
265 HG2 GLN 59 HG2 GLN 59 -19.518 8.179 -2.656
266 HG3 GLN 59 HG1 GLN 59 -18.585 7.152 -1.568
267 HE21 GLN 59 HE21 GLN 59 -20.699 7.237 -4.329
268 HE22 GLN 59 HE22 GLN 59 -20.379 5.631 -4.877
269 H ARG 60 HN ARG 60 -20.343 5.715 2.307
270 HA ARG 60 HA ARG 60 -21.566 5.890 4.214
271 HB2 ARG 60 HB2 ARG 60 -23.084 7.965 2.623
272 HB3 ARG 60 HB1 ARG 60 -23.171 7.754 4.365
273 HG2 ARG 60 HG2 ARG 60 -20.820 8.338 4.573
274 HG3 ARG 60 HG1 ARG 60 -20.697 8.506 2.820
275 HD2 ARG 60 HD2 ARG 60 -20.941 10.682 3.890
276 HD3 ARG 60 HD1 ARG 60 -22.335 10.317 2.876
277 HE ARG 60 HE ARG 60 -22.877 9.495 5.504
278 HH11 ARG 60 HH11 ARG 60 -22.438 12.411 3.646
279 HH12 ARG 60 HH12 ARG 60 -23.460 13.368 4.666
280 HH21 ARG 60 HH21 ARG 60 -24.225 10.748 6.852
281 HH22 ARG 60 HH22 ARG 60 -24.475 12.423 6.488
Start of MODEL 4
1 H1 ARG 28 HT1 ARG 28 22.635 4.168 12.657
2 H2 ARG 28 HT2 ARG 28 23.240 2.596 12.500
3 H3 ARG 28 HT3 ARG 28 21.655 2.841 13.037
4 HA ARG 28 HA ARG 28 22.689 3.538 10.352
5 HB2 ARG 28 HB2 ARG 28 22.502 1.110 10.709
6 HB3 ARG 28 HB1 ARG 28 20.834 1.312 11.225
7 HG2 ARG 28 HG2 ARG 28 20.875 0.530 8.958
8 HG3 ARG 28 HG1 ARG 28 20.284 2.192 8.984
9 HD2 ARG 28 HD2 ARG 28 22.498 2.994 8.332
10 HD3 ARG 28 HD1 ARG 28 23.103 1.338 8.327
11 HE ARG 28 HE ARG 28 20.960 1.348 6.604
12 HH11 ARG 28 HH11 ARG 28 24.002 3.036 6.846
13 HH12 ARG 28 HH12 ARG 28 24.173 3.234 5.135
14 HH21 ARG 28 HH21 ARG 28 21.182 1.604 4.350
15 HH22 ARG 28 HH22 ARG 28 22.572 2.420 3.716
16 H ARG 29 HN ARG 29 21.709 5.387 9.825
17 HA ARG 29 HA ARG 29 19.165 6.162 10.859
18 HB2 ARG 29 HB2 ARG 29 19.370 8.082 9.327
19 HB3 ARG 29 HB1 ARG 29 20.824 7.844 10.286
20 HG2 ARG 29 HG2 ARG 29 21.883 6.733 8.366
21 HG3 ARG 29 HG1 ARG 29 20.432 7.043 7.410
22 HD2 ARG 29 HD2 ARG 29 22.112 8.719 6.933
23 HD3 ARG 29 HD1 ARG 29 20.741 9.457 7.762
24 HE ARG 29 HE ARG 29 22.810 8.671 9.567
25 HH11 ARG 29 HH11 ARG 29 21.812 11.155 7.338
26 HH12 ARG 29 HH12 ARG 29 22.725 12.402 8.120
27 HH21 ARG 29 HH21 ARG 29 24.014 10.306 10.604
28 HH22 ARG 29 HH22 ARG 29 23.978 11.920 9.974
29 H CYS 30 HN CYS 30 17.172 6.149 9.904
30 HA CYS 30 HA CYS 30 16.948 4.871 7.264
31 HB2 CYS 30 HB2 CYS 30 15.223 4.299 9.682
32 HB3 CYS 30 HB1 CYS 30 14.956 3.652 8.068
33 HG CYS 30 HG CYS 30 17.993 2.865 8.734
34 H LEU 31 HN LEU 31 16.474 6.727 6.153
35 HA LEU 31 HA LEU 31 14.367 8.483 7.127
36 HB2 LEU 31 HB2 LEU 31 16.560 9.246 6.030
37 HB3 LEU 31 HB1 LEU 31 15.834 8.747 4.515
38 HG LEU 31 HG LEU 31 14.398 10.686 6.295
39 HD11 LEU 31 HD11 LEU 31 16.533 11.393 4.286
40 HD12 LEU 31 HD12 LEU 31 16.662 11.571 6.036
41 HD13 LEU 31 HD13 LEU 31 15.487 12.530 5.136
42 HD21 LEU 31 HD21 LEU 31 13.201 9.729 4.391
43 HD22 LEU 31 HD22 LEU 31 14.477 10.279 3.306
44 HD23 LEU 31 HD23 LEU 31 13.481 11.455 4.165
45 H PHE 32 HN PHE 32 15.003 6.294 4.420
46 HA PHE 32 HA PHE 32 12.128 6.042 4.019
47 HB2 PHE 32 HB2 PHE 32 12.392 6.258 1.546
48 HB3 PHE 32 HB1 PHE 32 12.686 7.755 2.420
49 HD1 PHE 32 HD1 PHE 32 15.045 8.510 2.783
50 HD2 PHE 32 HD2 PHE 32 14.044 5.297 0.177
51 HE1 PHE 32 HE1 PHE 32 17.233 8.727 1.682
52 HE2 PHE 32 HE2 PHE 32 16.232 5.509 -0.929
53 HZ PHE 32 HZ PHE 32 17.826 7.221 -0.184
54 H LEU 33 HN LEU 33 15.330 4.964 2.891
55 HA LEU 33 HA LEU 33 16.185 2.919 2.449
56 HB2 LEU 33 HB2 LEU 33 15.226 2.528 4.777
57 HB3 LEU 33 HB1 LEU 33 13.881 1.744 3.973
58 HG LEU 33 HG LEU 33 15.514 0.150 2.937
59 HD11 LEU 33 HD11 LEU 33 17.516 1.538 3.154
60 HD12 LEU 33 HD12 LEU 33 17.731 -0.033 3.925
61 HD13 LEU 33 HD13 LEU 33 17.424 1.398 4.909
62 HD21 LEU 33 HD21 LEU 33 15.441 0.222 5.950
63 HD22 LEU 33 HD22 LEU 33 15.773 -1.192 4.950
64 HD23 LEU 33 HD23 LEU 33 14.182 -0.434 4.905
65 HA PRO 34 HA PRO 34 13.949 1.922 -1.275
66 HB2 PRO 34 HB2 PRO 34 15.597 -0.105 -2.096
67 HB3 PRO 34 HB1 PRO 34 15.954 1.610 -2.325
68 HG2 PRO 34 HG2 PRO 34 16.931 -0.260 -0.199
69 HG3 PRO 34 HG1 PRO 34 17.833 0.964 -1.115
70 HD2 PRO 34 HD2 PRO 34 16.995 1.427 1.396
71 HD3 PRO 34 HD1 PRO 34 17.011 2.711 0.169
72 H LEU 35 HN LEU 35 14.801 -0.445 1.172
73 HA LEU 35 HA LEU 35 13.029 -2.460 0.089
74 HB2 LEU 35 HB2 LEU 35 15.258 -2.785 1.402
75 HB3 LEU 35 HB1 LEU 35 14.259 -2.559 2.822
76 HG LEU 35 HG LEU 35 14.662 -4.937 2.293
77 HD11 LEU 35 HD11 LEU 35 12.399 -5.697 2.562
78 HD12 LEU 35 HD12 LEU 35 11.770 -4.171 1.943
79 HD13 LEU 35 HD13 LEU 35 12.620 -4.213 3.488
80 HD21 LEU 35 HD21 LEU 35 14.777 -4.742 -0.141
81 HD22 LEU 35 HD22 LEU 35 13.051 -4.376 -0.194
82 HD23 LEU 35 HD23 LEU 35 13.602 -5.959 0.357
83 H PHE 36 HN PHE 36 13.126 -0.320 2.917
84 HA PHE 36 HA PHE 36 10.814 -1.194 4.191
85 HB2 PHE 36 HB2 PHE 36 12.488 0.390 5.141
86 HB3 PHE 36 HB1 PHE 36 11.840 1.647 4.095
87 HD1 PHE 36 HD1 PHE 36 10.680 -0.816 6.643
88 HD2 PHE 36 HD2 PHE 36 10.253 3.064 4.951
89 HE1 PHE 36 HE1 PHE 36 9.003 -0.258 8.355
90 HE2 PHE 36 HE2 PHE 36 8.576 3.630 6.661
91 HZ PHE 36 HZ PHE 36 7.954 1.964 8.372
92 H SER 37 HN SER 37 11.141 0.526 1.244
93 HA SER 37 HA SER 37 8.520 1.721 1.304
94 HB2 SER 37 HB2 SER 37 10.277 1.340 -1.111
95 HB3 SER 37 HB1 SER 37 8.994 2.523 -0.893
96 HG SER 37 HG SER 37 11.042 2.576 0.974
97 H PHE 38 HN PHE 38 9.979 -1.215 0.083
98 HA PHE 38 HA PHE 38 8.022 -2.065 -1.698
99 HB2 PHE 38 HB2 PHE 38 9.980 -3.487 0.047
100 HB3 PHE 38 HB1 PHE 38 8.769 -4.424 -0.814
101 HD1 PHE 38 HD1 PHE 38 10.810 -1.453 -1.768
102 HD2 PHE 38 HD2 PHE 38 9.774 -5.498 -2.587
103 HE1 PHE 38 HE1 PHE 38 12.220 -1.402 -3.782
104 HE2 PHE 38 HE2 PHE 38 11.182 -5.455 -4.602
105 HZ PHE 38 HZ PHE 38 12.415 -3.439 -5.200
106 H LEU 39 HN LEU 39 8.241 -2.522 1.804
107 HA LEU 39 HA LEU 39 5.801 -3.992 1.982
108 HB2 LEU 39 HB2 LEU 39 6.218 -2.979 4.505
109 HB3 LEU 39 HB1 LEU 39 6.808 -4.514 3.900
110 HG LEU 39 HG LEU 39 8.452 -2.028 3.572
111 HD11 LEU 39 HD11 LEU 39 9.579 -2.568 5.677
112 HD12 LEU 39 HD12 LEU 39 8.388 -3.831 5.989
113 HD13 LEU 39 HD13 LEU 39 7.889 -2.141 5.940
114 HD21 LEU 39 HD21 LEU 39 10.253 -3.545 3.363
115 HD22 LEU 39 HD22 LEU 39 8.940 -4.211 2.388
116 HD23 LEU 39 HD23 LEU 39 9.288 -4.888 3.978
117 H ILE 40 HN ILE 40 6.650 -0.701 1.786
118 HA ILE 40 HA ILE 40 4.290 0.368 3.027
119 HB ILE 40 HB ILE 40 6.581 1.524 1.482
120 HG12 ILE 40 HG12 ILE 40 5.407 2.160 4.196
121 HG13 ILE 40 HG11 ILE 40 6.769 1.082 3.910
122 HG21 ILE 40 HG21 ILE 40 4.713 2.714 0.560
123 HG22 ILE 40 HG22 ILE 40 5.553 3.769 1.695
124 HG23 ILE 40 HG23 ILE 40 4.042 2.992 2.168
125 HD11 ILE 40 HD11 ILE 40 6.708 4.018 3.257
126 HD12 ILE 40 HD12 ILE 40 8.080 2.930 3.055
127 HD13 ILE 40 HD13 ILE 40 7.473 3.295 4.669
128 H VAL 41 HN VAL 41 5.315 -0.487 -0.209
129 HA VAL 41 HA VAL 41 3.018 0.731 -1.472
130 HB VAL 41 HB VAL 41 5.143 -1.098 -2.604
131 HG11 VAL 41 HG11 VAL 41 4.324 -0.346 -4.803
132 HG12 VAL 41 HG12 VAL 41 3.003 0.508 -4.005
133 HG13 VAL 41 HG13 VAL 41 3.101 -1.252 -3.909
134 HG21 VAL 41 HG21 VAL 41 4.804 1.893 -2.813
135 HG22 VAL 41 HG22 VAL 41 6.059 0.934 -3.597
136 HG23 VAL 41 HG23 VAL 41 6.012 1.055 -1.839
137 H ALA 42 HN ALA 42 4.174 -2.565 -0.824
138 HA ALA 42 HA ALA 42 2.037 -3.935 -2.016
139 HB1 ALA 42 HB1 ALA 42 4.156 -5.001 -1.386
140 HB2 ALA 42 HB2 ALA 42 2.765 -5.860 -0.724
141 HB3 ALA 42 HB3 ALA 42 3.734 -4.817 0.317
142 H GLY 43 HN GLY 43 2.427 -2.546 1.191
143 HA2 GLY 43 HA2 GLY 43 0.006 -3.721 2.220
144 HA3 GLY 43 HA1 GLY 43 1.000 -2.511 3.016
145 H ALA 44 HN ALA 44 0.914 -0.686 0.726
146 HA ALA 44 HA ALA 44 -1.372 0.798 1.453
147 HB1 ALA 44 HB1 ALA 44 0.389 1.112 -0.974
148 HB2 ALA 44 HB2 ALA 44 0.668 1.843 0.606
149 HB3 ALA 44 HB3 ALA 44 -0.737 2.316 -0.348
150 H THR 45 HN THR 45 -0.681 -1.349 -1.256
151 HA THR 45 HA THR 45 -3.008 -0.785 -2.758
152 HB THR 45 HB THR 45 -2.577 -2.975 -3.866
153 HG1 THR 45 HG1 THR 45 -0.894 -4.246 -3.158
154 HG21 THR 45 HG21 THR 45 -0.385 -2.370 -4.802
155 HG22 THR 45 HG22 THR 45 -0.153 -1.212 -3.491
156 HG23 THR 45 HG23 THR 45 -1.447 -0.969 -4.666
157 H THR 46 HN THR 46 -2.430 -2.708 0.050
158 HA THR 46 HA THR 46 -4.760 -4.362 -0.201
159 HB THR 46 HB THR 46 -3.076 -3.797 2.246
160 HG1 THR 46 HG1 THR 46 -2.180 -5.901 1.643
161 HG21 THR 46 HG21 THR 46 -4.018 -5.865 3.126
162 HG22 THR 46 HG22 THR 46 -4.992 -6.061 1.670
163 HG23 THR 46 HG23 THR 46 -5.305 -4.714 2.765
164 H LEU 47 HN LEU 47 -3.949 -1.357 1.455
165 HA LEU 47 HA LEU 47 -6.435 -1.214 2.880
166 HB2 LEU 47 HB2 LEU 47 -4.284 -0.148 3.619
167 HB3 LEU 47 HB1 LEU 47 -4.479 1.015 2.322
168 HG LEU 47 HG LEU 47 -6.628 1.741 3.355
169 HD11 LEU 47 HD11 LEU 47 -7.159 -0.299 4.570
170 HD12 LEU 47 HD12 LEU 47 -7.095 1.083 5.663
171 HD13 LEU 47 HD13 LEU 47 -5.754 -0.061 5.609
172 HD21 LEU 47 HD21 LEU 47 -4.179 1.912 5.107
173 HD22 LEU 47 HD22 LEU 47 -5.592 2.963 5.214
174 HD23 LEU 47 HD23 LEU 47 -4.583 2.984 3.767
175 H PHE 48 HN PHE 48 -5.171 0.054 -0.141
176 HA PHE 48 HA PHE 48 -7.256 1.886 -0.671
177 HB2 PHE 48 HB2 PHE 48 -5.070 1.921 -1.832
178 HB3 PHE 48 HB1 PHE 48 -5.491 0.417 -2.641
179 HD1 PHE 48 HD1 PHE 48 -6.536 3.950 -2.245
180 HD2 PHE 48 HD2 PHE 48 -6.691 0.436 -4.642
181 HE1 PHE 48 HE1 PHE 48 -7.609 5.233 -4.050
182 HE2 PHE 48 HE2 PHE 48 -7.765 1.714 -6.451
183 HZ PHE 48 HZ PHE 48 -8.224 4.115 -6.155
184 H CYS 49 HN CYS 49 -6.733 -1.481 -1.661
185 HA CYS 49 HA CYS 49 -9.182 -1.672 -3.111
186 HB2 CYS 49 HB2 CYS 49 -7.288 -3.135 -3.623
187 HB3 CYS 49 HB1 CYS 49 -7.374 -3.837 -2.011
188 HG CYS 49 HG CYS 49 -9.340 -5.504 -2.434
189 H LEU 50 HN LEU 50 -8.285 -1.969 0.197
190 HA LEU 50 HA LEU 50 -10.253 -3.670 1.192
191 HB2 LEU 50 HB2 LEU 50 -8.212 -2.345 2.300
192 HB3 LEU 50 HB1 LEU 50 -9.513 -1.279 2.791
193 HG LEU 50 HG LEU 50 -10.651 -3.329 3.770
194 HD11 LEU 50 HD11 LEU 50 -7.900 -4.491 3.345
195 HD12 LEU 50 HD12 LEU 50 -9.395 -5.031 2.580
196 HD13 LEU 50 HD13 LEU 50 -9.180 -5.214 4.321
197 HD21 LEU 50 HD21 LEU 50 -9.286 -3.262 5.805
198 HD22 LEU 50 HD22 LEU 50 -9.561 -1.649 5.149
199 HD23 LEU 50 HD23 LEU 50 -8.004 -2.443 4.913
200 H LEU 51 HN LEU 51 -10.324 -0.137 0.785
201 HA LEU 51 HA LEU 51 -12.943 0.230 1.761
202 HB2 LEU 51 HB2 LEU 51 -11.481 1.942 -0.248
203 HB3 LEU 51 HB1 LEU 51 -12.827 2.432 0.762
204 HG LEU 51 HG LEU 51 -10.093 1.661 1.780
205 HD11 LEU 51 HD11 LEU 51 -10.046 3.756 0.536
206 HD12 LEU 51 HD12 LEU 51 -9.826 4.036 2.264
207 HD13 LEU 51 HD13 LEU 51 -11.384 4.369 1.508
208 HD21 LEU 51 HD21 LEU 51 -10.903 2.562 3.913
209 HD22 LEU 51 HD22 LEU 51 -11.848 1.169 3.386
210 HD23 LEU 51 HD23 LEU 51 -12.499 2.797 3.199
211 H HIS 52 HN HIS 52 -11.705 -0.770 -1.324
212 HA HIS 52 HA HIS 52 -14.043 -0.200 -2.849
213 HB2 HIS 52 HB2 HIS 52 -11.777 -0.524 -3.835
214 HB3 HIS 52 HB1 HIS 52 -11.875 -2.232 -3.422
215 HD1 HIS 52 HD1 HIS 52 -13.218 -3.735 -4.963
216 HD2 HIS 52 HD2 HIS 52 -13.525 0.293 -5.935
217 HE1 HIS 52 HE1 HIS 52 -14.365 -3.669 -7.200
218 HE2 HIS 52 HE2 HIS 52 -14.587 -1.219 -7.746
219 H PHE 53 HN PHE 53 -13.210 -2.650 -0.616
220 HA PHE 53 HA PHE 53 -14.800 -4.772 -1.595
221 HB2 PHE 53 HB2 PHE 53 -13.013 -5.026 0.118
222 HB3 PHE 53 HB1 PHE 53 -14.039 -4.184 1.274
223 HD1 PHE 53 HD1 PHE 53 -13.779 -7.226 -0.813
224 HD2 PHE 53 HD2 PHE 53 -15.707 -5.320 2.467
225 HE1 PHE 53 HE1 PHE 53 -14.825 -9.365 -0.190
226 HE2 PHE 53 HE2 PHE 53 -16.755 -7.455 3.097
227 HZ PHE 53 HZ PHE 53 -16.313 -9.483 1.762
228 H GLY 54 HN GLY 54 -15.598 -1.805 -0.119
229 HA2 GLY 54 HA2 GLY 54 -17.965 -1.164 -0.319
230 HA3 GLY 54 HA1 GLY 54 -18.362 -2.758 0.305
231 H VAL 55 HN VAL 55 -15.715 -0.919 1.623
232 HA VAL 55 HA VAL 55 -16.656 -1.102 4.259
233 HB VAL 55 HB VAL 55 -14.599 0.795 3.118
234 HG11 VAL 55 HG11 VAL 55 -15.371 1.591 5.270
235 HG12 VAL 55 HG12 VAL 55 -13.746 0.922 5.429
236 HG13 VAL 55 HG13 VAL 55 -15.141 -0.010 5.973
237 HG21 VAL 55 HG21 VAL 55 -12.965 -0.840 3.890
238 HG22 VAL 55 HG22 VAL 55 -14.079 -1.568 2.733
239 HG23 VAL 55 HG23 VAL 55 -14.265 -1.887 4.457
240 H ILE 56 HN ILE 56 -17.182 1.267 1.775
241 HA ILE 56 HA ILE 56 -18.805 2.823 3.661
242 HB ILE 56 HB ILE 56 -18.302 4.837 2.264
243 HG12 ILE 56 HG12 ILE 56 -16.142 3.052 1.109
244 HG13 ILE 56 HG11 ILE 56 -17.559 3.618 0.232
245 HG21 ILE 56 HG21 ILE 56 -15.945 3.498 3.582
246 HG22 ILE 56 HG22 ILE 56 -17.196 4.438 4.395
247 HG23 ILE 56 HG23 ILE 56 -16.104 5.224 3.256
248 HD11 ILE 56 HD11 ILE 56 -15.569 4.908 -0.321
249 HD12 ILE 56 HD12 ILE 56 -15.392 5.369 1.372
250 HD13 ILE 56 HD13 ILE 56 -16.794 5.913 0.450
251 H GLY 57 HN GLY 57 -19.268 4.352 0.865
252 HA2 GLY 57 HA2 GLY 57 -21.526 2.597 0.140
253 HA3 GLY 57 HA1 GLY 57 -21.576 4.351 0.044
254 HA PRO 58 HA PRO 58 -20.317 3.934 -4.171
255 HB2 PRO 58 HB2 PRO 58 -19.366 6.387 -4.697
256 HB3 PRO 58 HB1 PRO 58 -21.082 6.110 -4.369
257 HG2 PRO 58 HG2 PRO 58 -18.951 7.160 -2.553
258 HG3 PRO 58 HG1 PRO 58 -20.627 7.704 -2.744
259 HD2 PRO 58 HD2 PRO 58 -19.758 6.055 -0.723
260 HD3 PRO 58 HD1 PRO 58 -21.428 6.107 -1.318
261 H GLN 59 HN GLN 59 -18.204 3.745 -1.748
262 HA GLN 59 HA GLN 59 -15.986 3.306 -1.533
263 HB2 GLN 59 HB2 GLN 59 -16.360 2.637 -4.451
264 HB3 GLN 59 HB1 GLN 59 -14.841 2.380 -3.605
265 HG2 GLN 59 HG2 GLN 59 -15.931 0.311 -3.580
266 HG3 GLN 59 HG1 GLN 59 -16.150 0.973 -1.961
267 HE21 GLN 59 HE21 GLN 59 -17.910 2.029 -4.796
268 HE22 GLN 59 HE22 GLN 59 -19.452 1.435 -4.296
269 H ARG 60 HN ARG 60 -16.878 6.026 -2.229
270 HA ARG 60 HA ARG 60 -14.354 7.035 -3.372
271 HB2 ARG 60 HB2 ARG 60 -17.141 8.179 -3.612
272 HB3 ARG 60 HB1 ARG 60 -15.686 9.044 -4.085
273 HG2 ARG 60 HG2 ARG 60 -16.541 6.402 -5.245
274 HG3 ARG 60 HG1 ARG 60 -16.889 7.973 -5.968
275 HD2 ARG 60 HD2 ARG 60 -14.499 8.426 -6.154
276 HD3 ARG 60 HD1 ARG 60 -14.136 6.873 -5.401
277 HE ARG 60 HE ARG 60 -15.697 6.276 -7.579
278 HH11 ARG 60 HH11 ARG 60 -12.669 7.917 -7.050
279 HH12 ARG 60 HH12 ARG 60 -12.013 7.475 -8.591
280 HH21 ARG 60 HH21 ARG 60 -14.841 5.690 -9.610
281 HH22 ARG 60 HH22 ARG 60 -13.247 6.211 -10.045
Start of MODEL 5
1 H1 ARG 28 HT1 ARG 28 15.547 -2.701 -15.111
2 H2 ARG 28 HT2 ARG 28 17.160 -3.115 -15.408
3 H3 ARG 28 HT3 ARG 28 16.002 -3.299 -16.627
4 HA ARG 28 HA ARG 28 17.423 -1.348 -16.958
5 HB2 ARG 28 HB2 ARG 28 14.520 -0.720 -16.380
6 HB3 ARG 28 HB1 ARG 28 15.592 0.220 -17.410
7 HG2 ARG 28 HG2 ARG 28 15.808 -1.720 -18.910
8 HG3 ARG 28 HG1 ARG 28 14.666 -2.603 -17.897
9 HD2 ARG 28 HD2 ARG 28 14.118 -0.050 -19.406
10 HD3 ARG 28 HD1 ARG 28 13.542 -1.661 -19.835
11 HE ARG 28 HE ARG 28 12.655 -1.182 -17.264
12 HH11 ARG 28 HH11 ARG 28 12.248 0.259 -20.412
13 HH12 ARG 28 HH12 ARG 28 10.650 0.840 -20.081
14 HH21 ARG 28 HH21 ARG 28 10.553 -0.416 -16.820
15 HH22 ARG 28 HH22 ARG 28 9.688 0.459 -18.039
16 H ARG 29 HN ARG 29 15.609 -1.401 -13.959
17 HA ARG 29 HA ARG 29 16.923 1.064 -13.074
18 HB2 ARG 29 HB2 ARG 29 14.672 -0.528 -11.831
19 HB3 ARG 29 HB1 ARG 29 15.335 0.961 -11.171
20 HG2 ARG 29 HG2 ARG 29 14.587 2.199 -13.103
21 HG3 ARG 29 HG1 ARG 29 14.020 0.714 -13.870
22 HD2 ARG 29 HD2 ARG 29 12.383 0.399 -12.104
23 HD3 ARG 29 HD1 ARG 29 12.982 1.830 -11.266
24 HE ARG 29 HE ARG 29 12.281 2.746 -13.733
25 HH11 ARG 29 HH11 ARG 29 10.623 0.973 -11.231
26 HH12 ARG 29 HH12 ARG 29 9.069 1.633 -11.619
27 HH21 ARG 29 HH21 ARG 29 10.240 3.617 -14.248
28 HH22 ARG 29 HH22 ARG 29 8.850 3.134 -13.333
29 H CYS 30 HN CYS 30 17.394 0.959 -10.568
30 HA CYS 30 HA CYS 30 19.572 -0.775 -10.222
31 HB2 CYS 30 HB2 CYS 30 18.000 0.736 -8.128
32 HB3 CYS 30 HB1 CYS 30 19.587 0.014 -7.885
33 HG CYS 30 HG CYS 30 19.079 3.020 -8.602
34 H LEU 31 HN LEU 31 19.864 -2.576 -8.884
35 HA LEU 31 HA LEU 31 17.579 -4.319 -8.752
36 HB2 LEU 31 HB2 LEU 31 20.488 -4.653 -8.074
37 HB3 LEU 31 HB1 LEU 31 19.311 -5.905 -7.734
38 HG LEU 31 HG LEU 31 18.741 -5.907 -10.189
39 HD11 LEU 31 HD11 LEU 31 21.236 -4.225 -10.360
40 HD12 LEU 31 HD12 LEU 31 19.599 -3.711 -10.772
41 HD13 LEU 31 HD13 LEU 31 20.397 -4.962 -11.726
42 HD21 LEU 31 HD21 LEU 31 21.576 -6.592 -9.422
43 HD22 LEU 31 HD22 LEU 31 20.700 -7.225 -10.815
44 HD23 LEU 31 HD23 LEU 31 20.159 -7.615 -9.183
45 H PHE 32 HN PHE 32 16.544 -5.086 -6.976
46 HA PHE 32 HA PHE 32 15.713 -5.157 -4.871
47 HB2 PHE 32 HB2 PHE 32 18.495 -4.349 -4.006
48 HB3 PHE 32 HB1 PHE 32 17.261 -5.105 -3.004
49 HD1 PHE 32 HD1 PHE 32 16.413 -7.425 -3.788
50 HD2 PHE 32 HD2 PHE 32 20.066 -5.659 -5.070
51 HE1 PHE 32 HE1 PHE 32 17.266 -9.648 -4.411
52 HE2 PHE 32 HE2 PHE 32 20.925 -7.876 -5.695
53 HZ PHE 32 HZ PHE 32 19.524 -9.875 -5.365
54 H LEU 33 HN LEU 33 16.229 -2.456 -6.413
55 HA LEU 33 HA LEU 33 15.992 -0.592 -4.198
56 HB2 LEU 33 HB2 LEU 33 17.370 0.088 -6.064
57 HB3 LEU 33 HB1 LEU 33 16.039 -0.141 -7.181
58 HG LEU 33 HG LEU 33 14.812 1.698 -6.036
59 HD11 LEU 33 HD11 LEU 33 16.038 3.172 -4.526
60 HD12 LEU 33 HD12 LEU 33 17.419 2.076 -4.570
61 HD13 LEU 33 HD13 LEU 33 15.894 1.546 -3.857
62 HD21 LEU 33 HD21 LEU 33 16.161 3.509 -6.970
63 HD22 LEU 33 HD22 LEU 33 16.096 2.128 -8.065
64 HD23 LEU 33 HD23 LEU 33 17.541 2.420 -7.098
65 HA PRO 34 HA PRO 34 11.642 -0.010 -6.115
66 HB2 PRO 34 HB2 PRO 34 10.762 -1.653 -8.046
67 HB3 PRO 34 HB1 PRO 34 11.767 -0.245 -8.413
68 HG2 PRO 34 HG2 PRO 34 12.550 -3.124 -8.187
69 HG3 PRO 34 HG1 PRO 34 13.045 -1.922 -9.393
70 HD2 PRO 34 HD2 PRO 34 14.575 -2.633 -7.238
71 HD3 PRO 34 HD1 PRO 34 14.671 -1.052 -8.035
72 H LEU 35 HN LEU 35 13.020 -2.885 -5.104
73 HA LEU 35 HA LEU 35 10.568 -4.343 -4.625
74 HB2 LEU 35 HB2 LEU 35 13.077 -5.169 -5.048
75 HB3 LEU 35 HB1 LEU 35 13.119 -5.100 -3.298
76 HG LEU 35 HG LEU 35 12.605 -7.350 -4.052
77 HD11 LEU 35 HD11 LEU 35 10.185 -6.031 -2.835
78 HD12 LEU 35 HD12 LEU 35 11.612 -6.580 -1.954
79 HD13 LEU 35 HD13 LEU 35 10.579 -7.750 -2.777
80 HD21 LEU 35 HD21 LEU 35 10.207 -6.109 -5.390
81 HD22 LEU 35 HD22 LEU 35 10.522 -7.838 -5.244
82 HD23 LEU 35 HD23 LEU 35 11.603 -6.822 -6.198
83 H PHE 36 HN PHE 36 12.946 -2.520 -2.753
84 HA PHE 36 HA PHE 36 11.980 -3.055 -0.188
85 HB2 PHE 36 HB2 PHE 36 14.138 -1.903 -0.763
86 HB3 PHE 36 HB1 PHE 36 13.206 -0.452 -1.119
87 HD1 PHE 36 HD1 PHE 36 14.281 -2.754 1.536
88 HD2 PHE 36 HD2 PHE 36 12.347 0.924 0.623
89 HE1 PHE 36 HE1 PHE 36 14.402 -2.108 3.906
90 HE2 PHE 36 HE2 PHE 36 12.462 1.578 2.992
91 HZ PHE 36 HZ PHE 36 13.492 0.062 4.638
92 H SER 37 HN SER 37 10.886 -0.771 -2.625
93 HA SER 37 HA SER 37 9.096 0.593 -0.831
94 HB2 SER 37 HB2 SER 37 8.581 0.810 -3.724
95 HB3 SER 37 HB1 SER 37 8.784 2.076 -2.517
96 HG SER 37 HG SER 37 10.490 1.663 -4.258
97 H PHE 38 HN PHE 38 9.001 -2.262 -2.716
98 HA PHE 38 HA PHE 38 6.206 -2.405 -3.168
99 HB2 PHE 38 HB2 PHE 38 7.836 -3.773 -4.413
100 HB3 PHE 38 HB1 PHE 38 8.206 -4.644 -2.934
101 HD1 PHE 38 HD1 PHE 38 5.588 -3.997 -5.443
102 HD2 PHE 38 HD2 PHE 38 6.834 -6.410 -2.167
103 HE1 PHE 38 HE1 PHE 38 3.780 -5.592 -5.935
104 HE2 PHE 38 HE2 PHE 38 5.030 -8.010 -2.654
105 HZ PHE 38 HZ PHE 38 3.499 -7.601 -4.544
106 H LEU 39 HN LEU 39 8.306 -3.334 -0.528
107 HA LEU 39 HA LEU 39 6.319 -4.779 0.928
108 HB2 LEU 39 HB2 LEU 39 9.029 -3.673 1.596
109 HB3 LEU 39 HB1 LEU 39 8.005 -4.333 2.854
110 HG LEU 39 HG LEU 39 7.939 -6.489 1.591
111 HD11 LEU 39 HD11 LEU 39 10.036 -5.139 -0.100
112 HD12 LEU 39 HD12 LEU 39 8.434 -5.654 -0.629
113 HD13 LEU 39 HD13 LEU 39 9.632 -6.855 -0.145
114 HD21 LEU 39 HD21 LEU 39 10.197 -7.177 2.218
115 HD22 LEU 39 HD22 LEU 39 9.467 -6.163 3.462
116 HD23 LEU 39 HD23 LEU 39 10.674 -5.486 2.370
117 H ILE 40 HN ILE 40 7.292 -1.472 0.654
118 HA ILE 40 HA ILE 40 5.804 -0.598 2.982
119 HB ILE 40 HB ILE 40 7.521 0.752 0.933
120 HG12 ILE 40 HG12 ILE 40 7.501 0.854 3.955
121 HG13 ILE 40 HG11 ILE 40 8.481 -0.251 2.997
122 HG21 ILE 40 HG21 ILE 40 5.656 2.241 1.014
123 HG22 ILE 40 HG22 ILE 40 6.961 2.947 1.969
124 HG23 ILE 40 HG23 ILE 40 5.603 2.162 2.776
125 HD11 ILE 40 HD11 ILE 40 9.632 1.665 1.995
126 HD12 ILE 40 HD12 ILE 40 9.800 1.625 3.750
127 HD13 ILE 40 HD13 ILE 40 8.671 2.752 2.998
128 H VAL 41 HN VAL 41 5.391 -0.871 -0.453
129 HA VAL 41 HA VAL 41 3.057 0.821 -0.557
130 HB VAL 41 HB VAL 41 4.833 0.307 -2.425
131 HG11 VAL 41 HG11 VAL 41 4.376 -2.093 -2.442
132 HG12 VAL 41 HG12 VAL 41 4.089 -1.346 -4.013
133 HG13 VAL 41 HG13 VAL 41 2.729 -1.761 -2.969
134 HG21 VAL 41 HG21 VAL 41 1.884 0.624 -2.972
135 HG22 VAL 41 HG22 VAL 41 3.181 0.982 -4.112
136 HG23 VAL 41 HG23 VAL 41 3.026 1.923 -2.629
137 H ALA 42 HN ALA 42 3.801 -2.515 -0.153
138 HA ALA 42 HA ALA 42 1.512 -3.801 -0.977
139 HB1 ALA 42 HB1 ALA 42 3.117 -4.426 1.500
140 HB2 ALA 42 HB2 ALA 42 3.501 -4.955 -0.138
141 HB3 ALA 42 HB3 ALA 42 2.034 -5.532 0.653
142 H GLY 43 HN GLY 43 2.066 -2.096 2.083
143 HA2 GLY 43 HA2 GLY 43 -0.477 -2.779 3.193
144 HA3 GLY 43 HA1 GLY 43 0.615 -1.537 3.787
145 H ALA 44 HN ALA 44 0.741 -0.036 1.342
146 HA ALA 44 HA ALA 44 -1.494 1.650 1.710
147 HB1 ALA 44 HB1 ALA 44 -0.626 2.911 -0.182
148 HB2 ALA 44 HB2 ALA 44 0.449 1.576 -0.598
149 HB3 ALA 44 HB3 ALA 44 0.680 2.456 0.913
150 H THR 45 HN THR 45 -0.711 -0.772 -0.746
151 HA THR 45 HA THR 45 -2.958 -0.263 -2.398
152 HB THR 45 HB THR 45 -2.468 -2.475 -3.408
153 HG1 THR 45 HG1 THR 45 -1.560 -3.841 -2.059
154 HG21 THR 45 HG21 THR 45 -0.030 -0.759 -2.934
155 HG22 THR 45 HG22 THR 45 -1.265 -0.480 -4.161
156 HG23 THR 45 HG23 THR 45 -0.242 -1.914 -4.250
157 H THR 46 HN THR 46 -2.354 -2.500 0.268
158 HA THR 46 HA THR 46 -4.676 -4.039 0.080
159 HB THR 46 HB THR 46 -3.202 -3.237 2.600
160 HG1 THR 46 HG1 THR 46 -1.786 -4.738 2.071
161 HG21 THR 46 HG21 THR 46 -4.134 -5.304 3.541
162 HG22 THR 46 HG22 THR 46 -5.046 -5.568 2.054
163 HG23 THR 46 HG23 THR 46 -5.408 -4.176 3.076
164 H LEU 47 HN LEU 47 -4.151 -0.816 1.268
165 HA LEU 47 HA LEU 47 -6.609 -0.594 2.717
166 HB2 LEU 47 HB2 LEU 47 -4.408 0.802 2.895
167 HB3 LEU 47 HB1 LEU 47 -5.114 1.748 1.599
168 HG LEU 47 HG LEU 47 -7.153 2.013 3.131
169 HD11 LEU 47 HD11 LEU 47 -6.698 1.816 5.523
170 HD12 LEU 47 HD12 LEU 47 -5.118 1.119 5.166
171 HD13 LEU 47 HD13 LEU 47 -6.586 0.252 4.715
172 HD21 LEU 47 HD21 LEU 47 -6.081 3.869 4.357
173 HD22 LEU 47 HD22 LEU 47 -5.660 3.846 2.645
174 HD23 LEU 47 HD23 LEU 47 -4.504 3.266 3.845
175 H PHE 48 HN PHE 48 -5.484 0.459 -0.476
176 HA PHE 48 HA PHE 48 -7.819 1.784 -1.280
177 HB2 PHE 48 HB2 PHE 48 -5.726 2.065 -2.482
178 HB3 PHE 48 HB1 PHE 48 -5.718 0.363 -2.930
179 HD1 PHE 48 HD1 PHE 48 -7.536 3.550 -3.402
180 HD2 PHE 48 HD2 PHE 48 -6.815 -0.380 -4.865
181 HE1 PHE 48 HE1 PHE 48 -8.758 4.099 -5.464
182 HE2 PHE 48 HE2 PHE 48 -8.035 0.162 -6.932
183 HZ PHE 48 HZ PHE 48 -9.003 2.391 -7.240
184 H CYS 49 HN CYS 49 -6.796 -1.584 -1.698
185 HA CYS 49 HA CYS 49 -9.141 -2.351 -3.141
186 HB2 CYS 49 HB2 CYS 49 -7.025 -3.559 -3.399
187 HB3 CYS 49 HB1 CYS 49 -7.082 -4.044 -1.709
188 HG CYS 49 HG CYS 49 -9.793 -5.231 -2.476
189 H LEU 50 HN LEU 50 -8.342 -2.032 0.197
190 HA LEU 50 HA LEU 50 -10.106 -3.877 1.349
191 HB2 LEU 50 HB2 LEU 50 -8.269 -2.227 2.349
192 HB3 LEU 50 HB1 LEU 50 -9.684 -1.250 2.675
193 HG LEU 50 HG LEU 50 -10.658 -3.195 3.919
194 HD11 LEU 50 HD11 LEU 50 -9.416 -4.999 2.915
195 HD12 LEU 50 HD12 LEU 50 -9.075 -4.954 4.644
196 HD13 LEU 50 HD13 LEU 50 -7.895 -4.323 3.495
197 HD21 LEU 50 HD21 LEU 50 -9.276 -2.873 5.904
198 HD22 LEU 50 HD22 LEU 50 -9.561 -1.342 5.076
199 HD23 LEU 50 HD23 LEU 50 -8.006 -2.157 4.913
200 H LEU 51 HN LEU 51 -10.601 -0.359 0.991
201 HA LEU 51 HA LEU 51 -13.357 -0.474 1.637
202 HB2 LEU 51 HB2 LEU 51 -11.794 1.664 0.189
203 HB3 LEU 51 HB1 LEU 51 -13.417 1.857 0.822
204 HG LEU 51 HG LEU 51 -10.990 1.262 2.517
205 HD11 LEU 51 HD11 LEU 51 -10.804 3.462 1.500
206 HD12 LEU 51 HD12 LEU 51 -11.154 3.601 3.223
207 HD13 LEU 51 HD13 LEU 51 -12.434 3.865 2.039
208 HD21 LEU 51 HD21 LEU 51 -13.084 0.476 3.488
209 HD22 LEU 51 HD22 LEU 51 -13.803 2.069 3.252
210 HD23 LEU 51 HD23 LEU 51 -12.460 1.865 4.377
211 H HIS 52 HN HIS 52 -11.599 -0.843 -1.340
212 HA HIS 52 HA HIS 52 -13.859 -0.381 -3.048
213 HB2 HIS 52 HB2 HIS 52 -11.449 -0.063 -3.726
214 HB3 HIS 52 HB1 HIS 52 -11.294 -1.817 -3.747
215 HD1 HIS 52 HD1 HIS 52 -11.941 -2.970 -5.863
216 HD2 HIS 52 HD2 HIS 52 -13.380 0.924 -5.685
217 HE1 HIS 52 HE1 HIS 52 -12.938 -2.517 -8.128
218 HE2 HIS 52 HE2 HIS 52 -13.834 -0.167 -7.986
219 H PHE 53 HN PHE 53 -12.733 -3.002 -1.184
220 HA PHE 53 HA PHE 53 -13.690 -5.157 -2.745
221 HB2 PHE 53 HB2 PHE 53 -12.084 -5.407 -0.868
222 HB3 PHE 53 HB1 PHE 53 -13.377 -5.015 0.260
223 HD1 PHE 53 HD1 PHE 53 -12.221 -7.496 -2.214
224 HD2 PHE 53 HD2 PHE 53 -14.930 -6.645 0.955
225 HE1 PHE 53 HE1 PHE 53 -12.850 -9.872 -2.119
226 HE2 PHE 53 HE2 PHE 53 -15.564 -9.021 1.058
227 HZ PHE 53 HZ PHE 53 -14.523 -10.637 -0.482
228 H GLY 54 HN GLY 54 -15.257 -2.852 -0.701
229 HA2 GLY 54 HA2 GLY 54 -17.667 -2.583 -1.116
230 HA3 GLY 54 HA1 GLY 54 -17.791 -4.334 -1.047
231 H VAL 55 HN VAL 55 -15.764 -2.585 1.180
232 HA VAL 55 HA VAL 55 -17.068 -3.706 3.434
233 HB VAL 55 HB VAL 55 -15.071 -1.442 3.322
234 HG11 VAL 55 HG11 VAL 55 -14.618 -2.010 5.670
235 HG12 VAL 55 HG12 VAL 55 -15.939 -3.176 5.635
236 HG13 VAL 55 HG13 VAL 55 -16.275 -1.457 5.433
237 HG21 VAL 55 HG21 VAL 55 -14.657 -4.395 3.784
238 HG22 VAL 55 HG22 VAL 55 -13.407 -3.151 3.840
239 HG23 VAL 55 HG23 VAL 55 -14.231 -3.508 2.321
240 H ILE 56 HN ILE 56 -17.210 -0.580 1.861
241 HA ILE 56 HA ILE 56 -19.365 0.198 3.710
242 HB ILE 56 HB ILE 56 -18.798 2.575 3.038
243 HG12 ILE 56 HG12 ILE 56 -16.204 1.283 2.171
244 HG13 ILE 56 HG11 ILE 56 -17.412 1.936 1.068
245 HG21 ILE 56 HG21 ILE 56 -16.761 1.002 4.609
246 HG22 ILE 56 HG22 ILE 56 -18.269 1.674 5.232
247 HG23 ILE 56 HG23 ILE 56 -16.986 2.751 4.680
248 HD11 ILE 56 HD11 ILE 56 -17.072 4.157 1.992
249 HD12 ILE 56 HD12 ILE 56 -15.555 3.477 1.401
250 HD13 ILE 56 HD13 ILE 56 -15.892 3.513 3.133
251 H GLY 57 HN GLY 57 -18.476 -0.452 0.519
252 HA2 GLY 57 HA2 GLY 57 -19.640 -0.443 -1.461
253 HA3 GLY 57 HA1 GLY 57 -21.094 -0.338 -0.481
254 HA PRO 58 HA PRO 58 -20.690 3.671 -2.756
255 HB2 PRO 58 HB2 PRO 58 -22.962 3.589 -4.162
256 HB3 PRO 58 HB1 PRO 58 -21.525 2.712 -4.696
257 HG2 PRO 58 HG2 PRO 58 -23.962 1.686 -3.302
258 HG3 PRO 58 HG1 PRO 58 -23.035 0.954 -4.623
259 HD2 PRO 58 HD2 PRO 58 -22.791 0.271 -1.955
260 HD3 PRO 58 HD1 PRO 58 -21.549 -0.013 -3.191
261 H GLN 59 HN GLN 59 -21.853 2.869 -0.085
262 HA GLN 59 HA GLN 59 -23.050 3.816 1.588
263 HB2 GLN 59 HB2 GLN 59 -23.241 6.113 -0.363
264 HB3 GLN 59 HB1 GLN 59 -23.792 6.188 1.303
265 HG2 GLN 59 HG2 GLN 59 -21.479 5.675 2.034
266 HG3 GLN 59 HG1 GLN 59 -20.972 5.767 0.347
267 HE21 GLN 59 HE21 GLN 59 -21.020 7.771 -0.711
268 HE22 GLN 59 HE22 GLN 59 -21.056 9.257 0.167
269 H ARG 60 HN ARG 60 -25.187 4.109 2.322
270 HA ARG 60 HA ARG 60 -27.158 2.959 0.537
271 HB2 ARG 60 HB2 ARG 60 -27.281 3.706 3.463
272 HB3 ARG 60 HB1 ARG 60 -28.612 2.974 2.579
273 HG2 ARG 60 HG2 ARG 60 -27.587 1.203 3.705
274 HG3 ARG 60 HG1 ARG 60 -27.008 1.075 2.044
275 HD2 ARG 60 HD2 ARG 60 -25.207 0.739 3.678
276 HD3 ARG 60 HD1 ARG 60 -24.922 2.149 2.661
277 HE ARG 60 HE ARG 60 -26.238 2.800 5.120
278 HH11 ARG 60 HH11 ARG 60 -23.146 2.175 3.638
279 HH12 ARG 60 HH12 ARG 60 -22.256 3.088 4.809
280 HH21 ARG 60 HH21 ARG 60 -25.070 4.005 6.666
281 HH22 ARG 60 HH22 ARG 60 -23.348 4.126 6.531
Start of MODEL 6
1 H1 ARG 28 HT1 ARG 28 22.498 -4.333 6.652
2 H2 ARG 28 HT2 ARG 28 21.232 -4.508 7.760
3 H3 ARG 28 HT3 ARG 28 22.262 -5.810 7.444
4 HA ARG 28 HA ARG 28 22.768 -4.780 9.566
5 HB2 ARG 28 HB2 ARG 28 24.904 -4.307 7.478
6 HB3 ARG 28 HB1 ARG 28 25.170 -4.503 9.204
7 HG2 ARG 28 HG2 ARG 28 24.380 -6.792 9.094
8 HG3 ARG 28 HG1 ARG 28 24.028 -6.605 7.374
9 HD2 ARG 28 HD2 ARG 28 26.740 -6.445 8.686
10 HD3 ARG 28 HD1 ARG 28 26.138 -7.760 7.678
11 HE ARG 28 HE ARG 28 26.123 -5.202 6.368
12 HH11 ARG 28 HH11 ARG 28 28.027 -8.023 7.122
13 HH12 ARG 28 HH12 ARG 28 29.110 -7.807 5.788
14 HH21 ARG 28 HH21 ARG 28 27.544 -4.910 4.611
15 HH22 ARG 28 HH22 ARG 28 28.836 -6.036 4.361
16 H ARG 29 HN ARG 29 23.766 -2.586 6.933
17 HA ARG 29 HA ARG 29 23.495 -0.333 8.785
18 HB2 ARG 29 HB2 ARG 29 25.621 -0.542 7.572
19 HB3 ARG 29 HB1 ARG 29 24.760 -0.464 6.041
20 HG2 ARG 29 HG2 ARG 29 24.044 1.802 6.534
21 HG3 ARG 29 HG1 ARG 29 24.846 1.728 8.104
22 HD2 ARG 29 HD2 ARG 29 27.001 1.406 6.970
23 HD3 ARG 29 HD1 ARG 29 26.187 1.523 5.410
24 HE ARG 29 HE ARG 29 25.525 3.825 6.751
25 HH11 ARG 29 HH11 ARG 29 28.480 2.274 5.742
26 HH12 ARG 29 HH12 ARG 29 29.348 3.762 5.558
27 HH21 ARG 29 HH21 ARG 29 26.660 5.784 6.514
28 HH22 ARG 29 HH22 ARG 29 28.313 5.756 5.999
29 H CYS 30 HN CYS 30 22.036 1.275 8.512
30 HA CYS 30 HA CYS 30 20.177 1.012 6.240
31 HB2 CYS 30 HB2 CYS 30 19.626 2.057 9.025
32 HB3 CYS 30 HB1 CYS 30 18.457 2.002 7.710
33 HG CYS 30 HG CYS 30 19.734 -0.994 8.135
34 H LEU 31 HN LEU 31 20.781 2.497 4.784
35 HA LEU 31 HA LEU 31 21.212 5.253 5.733
36 HB2 LEU 31 HB2 LEU 31 23.255 4.284 4.818
37 HB3 LEU 31 HB1 LEU 31 22.417 3.876 3.334
38 HG LEU 31 HG LEU 31 22.082 6.292 2.888
39 HD11 LEU 31 HD11 LEU 31 23.828 6.651 5.320
40 HD12 LEU 31 HD12 LEU 31 22.133 7.117 5.172
41 HD13 LEU 31 HD13 LEU 31 23.359 7.925 4.194
42 HD21 LEU 31 HD21 LEU 31 24.407 6.773 2.300
43 HD22 LEU 31 HD22 LEU 31 23.968 5.111 1.905
44 HD23 LEU 31 HD23 LEU 31 24.941 5.449 3.337
45 H PHE 32 HN PHE 32 19.829 3.208 3.213
46 HA PHE 32 HA PHE 32 17.807 5.229 2.708
47 HB2 PHE 32 HB2 PHE 32 19.643 5.764 1.119
48 HB3 PHE 32 HB1 PHE 32 19.504 4.141 0.451
49 HD1 PHE 32 HD1 PHE 32 17.429 7.162 1.125
50 HD2 PHE 32 HD2 PHE 32 18.164 3.809 -1.390
51 HE1 PHE 32 HE1 PHE 32 15.703 7.960 -0.436
52 HE2 PHE 32 HE2 PHE 32 16.441 4.601 -2.957
53 HZ PHE 32 HZ PHE 32 15.209 6.684 -2.480
54 H LEU 33 HN LEU 33 19.104 2.139 1.511
55 HA LEU 33 HA LEU 33 18.018 0.305 0.651
56 HB2 LEU 33 HB2 LEU 33 16.596 -0.786 2.438
57 HB3 LEU 33 HB1 LEU 33 18.259 -0.419 2.844
58 HG LEU 33 HG LEU 33 16.151 1.554 3.598
59 HD11 LEU 33 HD11 LEU 33 16.715 -0.997 5.104
60 HD12 LEU 33 HD12 LEU 33 15.204 -0.577 4.297
61 HD13 LEU 33 HD13 LEU 33 15.747 0.355 5.692
62 HD21 LEU 33 HD21 LEU 33 18.687 0.600 4.925
63 HD22 LEU 33 HD22 LEU 33 17.650 1.909 5.492
64 HD23 LEU 33 HD23 LEU 33 18.514 2.067 3.962
65 HA PRO 34 HA PRO 34 14.243 2.268 -1.036
66 HB2 PRO 34 HB2 PRO 34 14.367 0.892 -3.394
67 HB3 PRO 34 HB1 PRO 34 15.223 2.410 -3.100
68 HG2 PRO 34 HG2 PRO 34 16.245 -0.400 -2.967
69 HG3 PRO 34 HG1 PRO 34 17.017 1.042 -3.654
70 HD2 PRO 34 HD2 PRO 34 17.692 0.081 -1.225
71 HD3 PRO 34 HD1 PRO 34 17.693 1.820 -1.584
72 H LEU 35 HN LEU 35 15.088 -0.849 -0.096
73 HA LEU 35 HA LEU 35 12.827 -2.294 -1.038
74 HB2 LEU 35 HB2 LEU 35 14.885 -3.420 -0.382
75 HB3 LEU 35 HB1 LEU 35 14.701 -2.844 1.263
76 HG LEU 35 HG LEU 35 12.527 -4.525 0.097
77 HD11 LEU 35 HD11 LEU 35 15.130 -5.606 1.165
78 HD12 LEU 35 HD12 LEU 35 14.558 -5.726 -0.499
79 HD13 LEU 35 HD13 LEU 35 13.692 -6.556 0.794
80 HD21 LEU 35 HD21 LEU 35 12.212 -3.550 2.294
81 HD22 LEU 35 HD22 LEU 35 13.738 -4.240 2.846
82 HD23 LEU 35 HD23 LEU 35 12.390 -5.299 2.432
83 H PHE 36 HN PHE 36 13.530 -0.447 1.861
84 HA PHE 36 HA PHE 36 11.478 -1.263 3.528
85 HB2 PHE 36 HB2 PHE 36 13.318 0.299 4.142
86 HB3 PHE 36 HB1 PHE 36 12.508 1.565 3.227
87 HD1 PHE 36 HD1 PHE 36 12.078 -0.738 6.100
88 HD2 PHE 36 HD2 PHE 36 10.849 2.871 4.212
89 HE1 PHE 36 HE1 PHE 36 10.756 -0.151 8.092
90 HE2 PHE 36 HE2 PHE 36 9.527 3.466 6.199
91 HZ PHE 36 HZ PHE 36 9.480 1.955 8.142
92 H SER 37 HN SER 37 11.328 0.665 0.654
93 HA SER 37 HA SER 37 8.691 1.701 1.203
94 HB2 SER 37 HB2 SER 37 8.832 2.755 -0.943
95 HB3 SER 37 HB1 SER 37 10.420 2.893 -0.188
96 HG SER 37 HG SER 37 11.166 1.924 -1.880
97 H PHE 38 HN PHE 38 10.098 -1.026 -0.454
98 HA PHE 38 HA PHE 38 7.966 -1.787 -2.076
99 HB2 PHE 38 HB2 PHE 38 10.161 -2.833 -2.235
100 HB3 PHE 38 HB1 PHE 38 9.958 -3.532 -0.636
101 HD1 PHE 38 HD1 PHE 38 8.608 -3.564 -4.082
102 HD2 PHE 38 HD2 PHE 38 8.874 -5.588 -0.348
103 HE1 PHE 38 HE1 PHE 38 7.575 -5.555 -5.092
104 HE2 PHE 38 HE2 PHE 38 7.843 -7.582 -1.351
105 HZ PHE 38 HZ PHE 38 7.180 -7.561 -3.729
106 H LEU 39 HN LEU 39 8.512 -2.197 1.345
107 HA LEU 39 HA LEU 39 6.276 -3.968 1.739
108 HB2 LEU 39 HB2 LEU 39 8.204 -2.541 3.538
109 HB3 LEU 39 HB1 LEU 39 6.764 -3.274 4.210
110 HG LEU 39 HG LEU 39 7.476 -5.464 3.315
111 HD11 LEU 39 HD11 LEU 39 9.775 -5.720 2.483
112 HD12 LEU 39 HD12 LEU 39 9.959 -3.967 2.490
113 HD13 LEU 39 HD13 LEU 39 8.784 -4.726 1.417
114 HD21 LEU 39 HD21 LEU 39 8.051 -4.788 5.603
115 HD22 LEU 39 HD22 LEU 39 9.566 -4.106 5.012
116 HD23 LEU 39 HD23 LEU 39 9.277 -5.842 4.898
117 H ILE 40 HN ILE 40 6.838 -0.579 1.635
118 HA ILE 40 HA ILE 40 4.484 0.204 3.080
119 HB ILE 40 HB ILE 40 6.374 1.747 1.302
120 HG12 ILE 40 HG12 ILE 40 5.981 1.794 4.302
121 HG13 ILE 40 HG11 ILE 40 7.263 0.919 3.472
122 HG21 ILE 40 HG21 ILE 40 4.081 2.792 2.957
123 HG22 ILE 40 HG22 ILE 40 4.197 2.804 1.197
124 HG23 ILE 40 HG23 ILE 40 5.302 3.784 2.160
125 HD11 ILE 40 HD11 ILE 40 6.865 3.902 3.419
126 HD12 ILE 40 HD12 ILE 40 8.171 3.010 2.638
127 HD13 ILE 40 HD13 ILE 40 8.047 3.033 4.397
128 H VAL 41 HN VAL 41 5.324 -0.449 -0.248
129 HA VAL 41 HA VAL 41 2.924 0.717 -1.337
130 HB VAL 41 HB VAL 41 4.959 -1.105 -2.633
131 HG11 VAL 41 HG11 VAL 41 4.010 -0.294 -4.756
132 HG12 VAL 41 HG12 VAL 41 2.755 0.556 -3.853
133 HG13 VAL 41 HG13 VAL 41 2.839 -1.205 -3.804
134 HG21 VAL 41 HG21 VAL 41 5.912 1.019 -1.884
135 HG22 VAL 41 HG22 VAL 41 4.656 1.895 -2.760
136 HG23 VAL 41 HG23 VAL 41 5.842 0.933 -3.644
137 H ALA 42 HN ALA 42 4.099 -2.539 -0.598
138 HA ALA 42 HA ALA 42 1.994 -3.986 -1.750
139 HB1 ALA 42 HB1 ALA 42 4.109 -4.994 -1.002
140 HB2 ALA 42 HB2 ALA 42 2.701 -5.835 -0.353
141 HB3 ALA 42 HB3 ALA 42 3.624 -4.738 0.674
142 H GLY 43 HN GLY 43 2.306 -2.437 1.397
143 HA2 GLY 43 HA2 GLY 43 -0.152 -3.553 2.410
144 HA3 GLY 43 HA1 GLY 43 0.824 -2.308 3.177
145 H ALA 44 HN ALA 44 0.782 -0.700 0.660
146 HA ALA 44 HA ALA 44 -1.476 0.897 1.277
147 HB1 ALA 44 HB1 ALA 44 0.576 1.852 0.374
148 HB2 ALA 44 HB2 ALA 44 -0.801 2.239 -0.657
149 HB3 ALA 44 HB3 ALA 44 0.333 0.976 -1.136
150 H THR 45 HN THR 45 -0.811 -1.521 -1.188
151 HA THR 45 HA THR 45 -3.106 -1.035 -2.779
152 HB THR 45 HB THR 45 -2.683 -3.300 -3.715
153 HG1 THR 45 HG1 THR 45 -0.377 -3.450 -2.095
154 HG21 THR 45 HG21 THR 45 -1.499 -1.335 -4.593
155 HG22 THR 45 HG22 THR 45 -0.501 -2.787 -4.681
156 HG23 THR 45 HG23 THR 45 -0.209 -1.593 -3.417
157 H THR 46 HN THR 46 -2.544 -2.835 0.136
158 HA THR 46 HA THR 46 -4.905 -4.439 0.001
159 HB THR 46 HB THR 46 -3.220 -3.707 2.405
160 HG1 THR 46 HG1 THR 46 -2.970 -6.247 1.519
161 HG21 THR 46 HG21 THR 46 -5.444 -4.508 3.037
162 HG22 THR 46 HG22 THR 46 -4.207 -5.699 3.437
163 HG23 THR 46 HG23 THR 46 -5.227 -5.931 2.017
164 H LEU 47 HN LEU 47 -4.050 -1.368 1.526
165 HA LEU 47 HA LEU 47 -6.538 -1.042 2.882
166 HB2 LEU 47 HB2 LEU 47 -4.369 0.063 3.506
167 HB3 LEU 47 HB1 LEU 47 -4.552 1.094 2.101
168 HG LEU 47 HG LEU 47 -6.749 1.023 4.125
169 HD11 LEU 47 HD11 LEU 47 -5.645 2.788 5.404
170 HD12 LEU 47 HD12 LEU 47 -4.199 2.608 4.410
171 HD13 LEU 47 HD13 LEU 47 -4.721 1.287 5.454
172 HD21 LEU 47 HD21 LEU 47 -5.602 3.152 2.322
173 HD22 LEU 47 HD22 LEU 47 -6.951 3.382 3.435
174 HD23 LEU 47 HD23 LEU 47 -7.107 2.266 2.078
175 H PHE 48 HN PHE 48 -5.236 0.021 -0.215
176 HA PHE 48 HA PHE 48 -7.333 1.770 -0.914
177 HB2 PHE 48 HB2 PHE 48 -5.097 1.675 -2.030
178 HB3 PHE 48 HB1 PHE 48 -5.584 0.163 -2.788
179 HD1 PHE 48 HD1 PHE 48 -6.102 3.787 -2.698
180 HD2 PHE 48 HD2 PHE 48 -7.148 0.132 -4.611
181 HE1 PHE 48 HE1 PHE 48 -7.113 5.051 -4.550
182 HE2 PHE 48 HE2 PHE 48 -8.160 1.391 -6.468
183 HZ PHE 48 HZ PHE 48 -8.143 3.854 -6.439
184 H CYS 49 HN CYS 49 -6.808 -1.674 -1.548
185 HA CYS 49 HA CYS 49 -9.238 -1.966 -3.040
186 HB2 CYS 49 HB2 CYS 49 -7.309 -3.419 -3.457
187 HB3 CYS 49 HB1 CYS 49 -7.426 -4.059 -1.821
188 HG CYS 49 HG CYS 49 -9.237 -4.809 -4.552
189 H LEU 50 HN LEU 50 -8.369 -2.077 0.295
190 HA LEU 50 HA LEU 50 -10.309 -3.759 1.371
191 HB2 LEU 50 HB2 LEU 50 -8.340 -2.229 2.384
192 HB3 LEU 50 HB1 LEU 50 -9.751 -1.312 2.880
193 HG LEU 50 HG LEU 50 -9.099 -2.843 4.610
194 HD11 LEU 50 HD11 LEU 50 -11.628 -3.761 3.282
195 HD12 LEU 50 HD12 LEU 50 -11.474 -2.374 4.360
196 HD13 LEU 50 HD13 LEU 50 -11.198 -4.004 4.975
197 HD21 LEU 50 HD21 LEU 50 -7.962 -4.517 3.279
198 HD22 LEU 50 HD22 LEU 50 -9.503 -5.022 2.584
199 HD23 LEU 50 HD23 LEU 50 -9.188 -5.268 4.302
200 H LEU 51 HN LEU 51 -10.473 -0.207 1.248
201 HA LEU 51 HA LEU 51 -13.214 -0.065 1.887
202 HB2 LEU 51 HB2 LEU 51 -11.507 1.959 0.438
203 HB3 LEU 51 HB1 LEU 51 -13.061 2.280 1.183
204 HG LEU 51 HG LEU 51 -10.560 1.446 2.657
205 HD11 LEU 51 HD11 LEU 51 -11.952 4.116 2.527
206 HD12 LEU 51 HD12 LEU 51 -10.422 3.715 1.748
207 HD13 LEU 51 HD13 LEU 51 -10.541 3.723 3.508
208 HD21 LEU 51 HD21 LEU 51 -13.277 2.266 3.677
209 HD22 LEU 51 HD22 LEU 51 -11.851 1.981 4.673
210 HD23 LEU 51 HD23 LEU 51 -12.572 0.652 3.766
211 H HIS 52 HN HIS 52 -11.524 -0.388 -1.155
212 HA HIS 52 HA HIS 52 -13.742 0.287 -2.821
213 HB2 HIS 52 HB2 HIS 52 -11.419 0.443 -3.612
214 HB3 HIS 52 HB1 HIS 52 -11.245 -1.301 -3.456
215 HD1 HIS 52 HD1 HIS 52 -12.045 -2.724 -5.376
216 HD2 HIS 52 HD2 HIS 52 -13.161 1.261 -5.749
217 HE1 HIS 52 HE1 HIS 52 -12.980 -2.503 -7.699
218 HE2 HIS 52 HE2 HIS 52 -13.746 -0.109 -7.864
219 H PHE 53 HN PHE 53 -12.907 -2.481 -1.019
220 HA PHE 53 HA PHE 53 -13.970 -4.542 -2.584
221 HB2 PHE 53 HB2 PHE 53 -12.589 -4.891 -0.561
222 HB3 PHE 53 HB1 PHE 53 -13.931 -4.336 0.433
223 HD1 PHE 53 HD1 PHE 53 -13.000 -6.939 -2.047
224 HD2 PHE 53 HD2 PHE 53 -15.507 -5.846 1.212
225 HE1 PHE 53 HE1 PHE 53 -13.863 -9.240 -1.944
226 HE2 PHE 53 HE2 PHE 53 -16.375 -8.145 1.321
227 HZ PHE 53 HZ PHE 53 -15.553 -9.846 -0.258
228 H GLY 54 HN GLY 54 -15.548 -1.961 -1.013
229 HA2 GLY 54 HA2 GLY 54 -17.879 -1.593 -1.648
230 HA3 GLY 54 HA1 GLY 54 -18.141 -3.316 -1.429
231 H VAL 55 HN VAL 55 -16.211 -1.469 0.804
232 HA VAL 55 HA VAL 55 -17.863 -2.256 2.999
233 HB VAL 55 HB VAL 55 -15.587 -0.271 3.008
234 HG11 VAL 55 HG11 VAL 55 -15.378 -0.912 5.374
235 HG12 VAL 55 HG12 VAL 55 -16.816 -1.921 5.214
236 HG13 VAL 55 HG13 VAL 55 -16.939 -0.173 5.019
237 HG21 VAL 55 HG21 VAL 55 -14.163 -2.161 3.647
238 HG22 VAL 55 HG22 VAL 55 -14.860 -2.383 2.042
239 HG23 VAL 55 HG23 VAL 55 -15.525 -3.259 3.421
240 H ILE 56 HN ILE 56 -17.792 0.475 0.914
241 HA ILE 56 HA ILE 56 -19.896 1.718 2.510
242 HB ILE 56 HB ILE 56 -18.798 3.995 1.933
243 HG12 ILE 56 HG12 ILE 56 -16.319 2.268 2.044
244 HG13 ILE 56 HG11 ILE 56 -16.993 2.878 0.537
245 HG21 ILE 56 HG21 ILE 56 -19.161 3.190 4.188
246 HG22 ILE 56 HG22 ILE 56 -17.578 3.958 4.063
247 HG23 ILE 56 HG23 ILE 56 -17.706 2.199 4.092
248 HD11 ILE 56 HD11 ILE 56 -16.674 5.172 1.350
249 HD12 ILE 56 HD12 ILE 56 -15.163 4.266 1.272
250 HD13 ILE 56 HD13 ILE 56 -15.952 4.531 2.826
251 H GLY 57 HN GLY 57 -18.658 3.798 0.158
252 HA2 GLY 57 HA2 GLY 57 -20.964 3.930 -1.354
253 HA3 GLY 57 HA1 GLY 57 -19.387 4.467 -1.902
254 HA PRO 58 HA PRO 58 -18.752 1.169 -4.779
255 HB2 PRO 58 HB2 PRO 58 -17.182 -0.790 -3.573
256 HB3 PRO 58 HB1 PRO 58 -16.583 0.636 -4.424
257 HG2 PRO 58 HG2 PRO 58 -16.957 0.190 -1.496
258 HG3 PRO 58 HG1 PRO 58 -15.657 1.048 -2.347
259 HD2 PRO 58 HD2 PRO 58 -17.597 2.384 -1.092
260 HD3 PRO 58 HD1 PRO 58 -16.947 2.961 -2.641
261 H GLN 59 HN GLN 59 -20.178 0.395 -1.784
262 HA GLN 59 HA GLN 59 -20.817 -2.334 -2.291
263 HB2 GLN 59 HB2 GLN 59 -20.836 -1.355 -0.024
264 HB3 GLN 59 HB1 GLN 59 -22.205 -0.352 -0.476
265 HG2 GLN 59 HG2 GLN 59 -23.083 -2.158 0.745
266 HG3 GLN 59 HG1 GLN 59 -23.468 -2.475 -0.944
267 HE21 GLN 59 HE21 GLN 59 -23.285 -4.326 1.287
268 HE22 GLN 59 HE22 GLN 59 -22.094 -5.499 0.850
269 H ARG 60 HN ARG 60 -21.713 -2.546 -4.328
270 HA ARG 60 HA ARG 60 -24.405 -1.391 -4.633
271 HB2 ARG 60 HB2 ARG 60 -23.935 -1.495 -7.139
272 HB3 ARG 60 HB1 ARG 60 -23.124 -0.229 -6.229
273 HG2 ARG 60 HG2 ARG 60 -21.084 -1.597 -6.172
274 HG3 ARG 60 HG1 ARG 60 -21.905 -2.832 -7.128
275 HD2 ARG 60 HD2 ARG 60 -20.508 -1.428 -8.543
276 HD3 ARG 60 HD1 ARG 60 -22.213 -1.225 -8.944
277 HE ARG 60 HE ARG 60 -21.726 0.773 -7.172
278 HH11 ARG 60 HH11 ARG 60 -20.219 -0.242 -10.145
279 HH12 ARG 60 HH12 ARG 60 -19.714 1.355 -10.586
280 HH21 ARG 60 HH21 ARG 60 -21.062 2.880 -7.743
281 HH22 ARG 60 HH22 ARG 60 -20.192 3.130 -9.219
Start of MODEL 7
1 H1 ARG 28 HT1 ARG 28 17.826 12.162 1.181
2 H2 ARG 28 HT2 ARG 28 19.404 11.876 0.644
3 H3 ARG 28 HT3 ARG 28 18.961 11.464 2.223
4 HA ARG 28 HA ARG 28 17.414 9.816 1.393
5 HB2 ARG 28 HB2 ARG 28 16.869 10.834 -0.734
6 HB3 ARG 28 HB1 ARG 28 18.531 10.668 -1.284
7 HG2 ARG 28 HG2 ARG 28 18.324 8.262 -1.312
8 HG3 ARG 28 HG1 ARG 28 16.696 8.369 -0.642
9 HD2 ARG 28 HD2 ARG 28 16.760 7.993 -3.102
10 HD3 ARG 28 HD1 ARG 28 15.881 9.443 -2.618
11 HE ARG 28 HE ARG 28 18.525 10.168 -3.156
12 HH11 ARG 28 HH11 ARG 28 15.728 8.957 -4.843
13 HH12 ARG 28 HH12 ARG 28 16.148 9.709 -6.346
14 HH21 ARG 28 HH21 ARG 28 19.087 11.163 -5.131
15 HH22 ARG 28 HH22 ARG 28 18.057 10.963 -6.509
16 H ARG 29 HN ARG 29 18.181 7.828 1.761
17 HA ARG 29 HA ARG 29 21.001 7.284 1.117
18 HB2 ARG 29 HB2 ARG 29 20.785 7.748 3.513
19 HB3 ARG 29 HB1 ARG 29 19.537 6.517 3.649
20 HG2 ARG 29 HG2 ARG 29 21.183 4.811 2.983
21 HG3 ARG 29 HG1 ARG 29 22.426 6.062 2.934
22 HD2 ARG 29 HD2 ARG 29 20.808 5.281 5.357
23 HD3 ARG 29 HD1 ARG 29 22.474 4.801 5.037
24 HE ARG 29 HE ARG 29 22.222 7.620 4.977
25 HH11 ARG 29 HH11 ARG 29 22.296 4.918 7.173
26 HH12 ARG 29 HH12 ARG 29 22.928 5.842 8.495
27 HH21 ARG 29 HH21 ARG 29 23.052 8.848 6.710
28 HH22 ARG 29 HH22 ARG 29 23.356 8.078 8.232
29 H CYS 30 HN CYS 30 21.250 5.562 -0.133
30 HA CYS 30 HA CYS 30 19.042 3.652 -0.370
31 HB2 CYS 30 HB2 CYS 30 20.262 2.898 -2.427
32 HB3 CYS 30 HB1 CYS 30 19.732 4.576 -2.476
33 HG CYS 30 HG CYS 30 22.095 5.715 -2.538
34 H LEU 31 HN LEU 31 19.245 2.137 1.180
35 HA LEU 31 HA LEU 31 21.375 0.240 0.968
36 HB2 LEU 31 HB2 LEU 31 22.194 2.231 2.454
37 HB3 LEU 31 HB1 LEU 31 21.160 1.514 3.673
38 HG LEU 31 HG LEU 31 23.497 0.832 3.941
39 HD11 LEU 31 HD11 LEU 31 23.147 -1.550 4.140
40 HD12 LEU 31 HD12 LEU 31 21.755 -1.463 3.060
41 HD13 LEU 31 HD13 LEU 31 21.695 -0.684 4.641
42 HD21 LEU 31 HD21 LEU 31 24.551 -0.646 2.297
43 HD22 LEU 31 HD22 LEU 31 24.207 0.947 1.621
44 HD23 LEU 31 HD23 LEU 31 23.172 -0.424 1.218
45 H PHE 32 HN PHE 32 18.937 1.428 3.288
46 HA PHE 32 HA PHE 32 17.773 -1.276 3.302
47 HB2 PHE 32 HB2 PHE 32 19.170 -0.385 5.405
48 HB3 PHE 32 HB1 PHE 32 17.614 0.343 5.793
49 HD1 PHE 32 HD1 PHE 32 15.837 -0.955 6.643
50 HD2 PHE 32 HD2 PHE 32 19.335 -2.855 5.135
51 HE1 PHE 32 HE1 PHE 32 15.077 -3.096 7.587
52 HE2 PHE 32 HE2 PHE 32 18.580 -4.999 6.075
53 HZ PHE 32 HZ PHE 32 16.449 -5.122 7.303
54 H LEU 33 HN LEU 33 17.329 1.940 2.674
55 HA LEU 33 HA LEU 33 14.664 2.304 3.615
56 HB2 LEU 33 HB2 LEU 33 16.496 4.041 2.874
57 HB3 LEU 33 HB1 LEU 33 15.757 3.840 1.298
58 HG LEU 33 HG LEU 33 14.884 5.800 2.492
59 HD11 LEU 33 HD11 LEU 33 12.509 5.343 2.193
60 HD12 LEU 33 HD12 LEU 33 12.842 3.611 2.143
61 HD13 LEU 33 HD13 LEU 33 13.461 4.665 0.871
62 HD21 LEU 33 HD21 LEU 33 13.513 5.555 4.472
63 HD22 LEU 33 HD22 LEU 33 15.130 4.919 4.775
64 HD23 LEU 33 HD23 LEU 33 13.789 3.812 4.477
65 HA PRO 34 HA PRO 34 13.628 1.518 -1.194
66 HB2 PRO 34 HB2 PRO 34 15.238 -0.638 -2.010
67 HB3 PRO 34 HB1 PRO 34 15.354 1.030 -2.575
68 HG2 PRO 34 HG2 PRO 34 16.935 -0.378 -0.478
69 HG3 PRO 34 HG1 PRO 34 17.454 0.858 -1.639
70 HD2 PRO 34 HD2 PRO 34 17.059 1.472 0.920
71 HD3 PRO 34 HD1 PRO 34 16.567 2.598 -0.364
72 H LEU 35 HN LEU 35 15.011 -1.158 0.715
73 HA LEU 35 HA LEU 35 13.071 -3.073 0.055
74 HB2 LEU 35 HB2 LEU 35 15.365 -3.258 1.318
75 HB3 LEU 35 HB1 LEU 35 14.380 -3.030 2.748
76 HG LEU 35 HG LEU 35 14.847 -5.399 2.308
77 HD11 LEU 35 HD11 LEU 35 12.613 -6.237 2.567
78 HD12 LEU 35 HD12 LEU 35 11.936 -4.762 1.879
79 HD13 LEU 35 HD13 LEU 35 12.757 -4.711 3.439
80 HD21 LEU 35 HD21 LEU 35 13.816 -6.517 0.387
81 HD22 LEU 35 HD22 LEU 35 15.018 -5.327 -0.110
82 HD23 LEU 35 HD23 LEU 35 13.301 -4.951 -0.241
83 H PHE 36 HN PHE 36 13.255 -0.769 2.738
84 HA PHE 36 HA PHE 36 10.965 -1.606 4.118
85 HB2 PHE 36 HB2 PHE 36 12.730 -0.060 4.994
86 HB3 PHE 36 HB1 PHE 36 12.059 1.209 3.975
87 HD1 PHE 36 HD1 PHE 36 11.467 -0.914 6.914
88 HD2 PHE 36 HD2 PHE 36 10.034 2.328 4.559
89 HE1 PHE 36 HE1 PHE 36 9.870 -0.333 8.694
90 HE2 PHE 36 HE2 PHE 36 8.435 2.916 6.335
91 HZ PHE 36 HZ PHE 36 8.372 1.592 8.421
92 H SER 37 HN SER 37 11.342 0.328 1.252
93 HA SER 37 HA SER 37 8.755 1.530 1.333
94 HB2 SER 37 HB2 SER 37 10.395 1.096 -1.150
95 HB3 SER 37 HB1 SER 37 9.223 2.369 -0.832
96 HG SER 37 HG SER 37 11.273 2.278 0.984
97 H PHE 38 HN PHE 38 10.055 -1.461 0.043
98 HA PHE 38 HA PHE 38 7.964 -2.165 -1.669
99 HB2 PHE 38 HB2 PHE 38 9.968 -3.744 -0.117
100 HB3 PHE 38 HB1 PHE 38 8.686 -4.578 -0.983
101 HD1 PHE 38 HD1 PHE 38 8.538 -4.392 -3.442
102 HD2 PHE 38 HD2 PHE 38 11.808 -2.769 -1.255
103 HE1 PHE 38 HE1 PHE 38 9.852 -4.252 -5.517
104 HE2 PHE 38 HE2 PHE 38 13.127 -2.626 -3.326
105 HZ PHE 38 HZ PHE 38 12.141 -3.365 -5.466
106 H LEU 39 HN LEU 39 8.361 -2.663 1.804
107 HA LEU 39 HA LEU 39 5.931 -4.114 2.136
108 HB2 LEU 39 HB2 LEU 39 7.694 -2.634 4.087
109 HB3 LEU 39 HB1 LEU 39 6.261 -3.516 4.575
110 HG LEU 39 HG LEU 39 7.315 -5.583 3.571
111 HD11 LEU 39 HD11 LEU 39 8.934 -4.536 2.115
112 HD12 LEU 39 HD12 LEU 39 9.762 -5.540 3.304
113 HD13 LEU 39 HD13 LEU 39 9.735 -3.787 3.496
114 HD21 LEU 39 HD21 LEU 39 8.744 -4.225 5.852
115 HD22 LEU 39 HD22 LEU 39 8.788 -5.952 5.493
116 HD23 LEU 39 HD23 LEU 39 7.271 -5.188 5.970
117 H ILE 40 HN ILE 40 6.785 -0.794 1.893
118 HA ILE 40 HA ILE 40 4.468 0.303 3.149
119 HB ILE 40 HB ILE 40 6.692 1.386 1.476
120 HG12 ILE 40 HG12 ILE 40 5.501 2.243 4.121
121 HG13 ILE 40 HG11 ILE 40 6.878 1.161 3.935
122 HG21 ILE 40 HG21 ILE 40 4.810 2.465 0.450
123 HG22 ILE 40 HG22 ILE 40 5.633 3.627 1.490
124 HG23 ILE 40 HG23 ILE 40 4.130 2.874 2.026
125 HD11 ILE 40 HD11 ILE 40 8.134 2.969 2.860
126 HD12 ILE 40 HD12 ILE 40 7.612 3.395 4.490
127 HD13 ILE 40 HD13 ILE 40 6.758 4.048 3.091
128 H VAL 41 HN VAL 41 5.372 -0.488 -0.173
129 HA VAL 41 HA VAL 41 2.971 0.581 -1.318
130 HB VAL 41 HB VAL 41 5.037 -1.292 -2.487
131 HG11 VAL 41 HG11 VAL 41 4.076 -0.662 -4.669
132 HG12 VAL 41 HG12 VAL 41 2.790 0.209 -3.833
133 HG13 VAL 41 HG13 VAL 41 2.928 -1.541 -3.659
134 HG21 VAL 41 HG21 VAL 41 5.948 0.884 -1.915
135 HG22 VAL 41 HG22 VAL 41 4.640 1.683 -2.787
136 HG23 VAL 41 HG23 VAL 41 5.824 0.714 -3.666
137 H ALA 42 HN ALA 42 4.069 -2.566 -0.220
138 HA ALA 42 HA ALA 42 2.091 -4.175 -1.360
139 HB1 ALA 42 HB1 ALA 42 2.644 -5.801 0.369
140 HB2 ALA 42 HB2 ALA 42 3.494 -4.555 1.283
141 HB3 ALA 42 HB3 ALA 42 4.104 -5.065 -0.292
142 H GLY 43 HN GLY 43 2.118 -2.384 1.697
143 HA2 GLY 43 HA2 GLY 43 -0.516 -3.328 2.427
144 HA3 GLY 43 HA1 GLY 43 0.457 -2.157 3.305
145 H ALA 44 HN ALA 44 0.849 -0.497 0.895
146 HA ALA 44 HA ALA 44 -1.355 1.233 1.240
147 HB1 ALA 44 HB1 ALA 44 0.874 2.025 0.609
148 HB2 ALA 44 HB2 ALA 44 -0.356 2.571 -0.532
149 HB3 ALA 44 HB3 ALA 44 0.710 1.233 -0.959
150 H THR 45 HN THR 45 -0.480 -1.009 -1.366
151 HA THR 45 HA THR 45 -2.679 -0.358 -3.032
152 HB THR 45 HB THR 45 -0.713 -1.398 -3.986
153 HG1 THR 45 HG1 THR 45 -3.158 -2.821 -4.123
154 HG21 THR 45 HG21 THR 45 -0.182 -2.768 -1.985
155 HG22 THR 45 HG22 THR 45 -0.081 -3.660 -3.502
156 HG23 THR 45 HG23 THR 45 -1.478 -3.867 -2.445
157 H THR 46 HN THR 46 -2.255 -2.479 -0.337
158 HA THR 46 HA THR 46 -4.486 -4.176 -0.811
159 HB THR 46 HB THR 46 -3.098 -3.522 1.796
160 HG1 THR 46 HG1 THR 46 -2.489 -5.933 0.966
161 HG21 THR 46 HG21 THR 46 -4.038 -5.672 2.565
162 HG22 THR 46 HG22 THR 46 -4.950 -5.793 1.059
163 HG23 THR 46 HG23 THR 46 -5.292 -4.488 2.195
164 H LEU 47 HN LEU 47 -4.016 -1.337 1.279
165 HA LEU 47 HA LEU 47 -6.600 -1.256 2.351
166 HB2 LEU 47 HB2 LEU 47 -4.653 0.014 3.210
167 HB3 LEU 47 HB1 LEU 47 -4.748 1.066 1.810
168 HG LEU 47 HG LEU 47 -7.036 1.751 2.551
169 HD11 LEU 47 HD11 LEU 47 -6.299 0.196 5.026
170 HD12 LEU 47 HD12 LEU 47 -7.594 -0.194 3.894
171 HD13 LEU 47 HD13 LEU 47 -7.684 1.275 4.865
172 HD21 LEU 47 HD21 LEU 47 -4.765 2.216 4.481
173 HD22 LEU 47 HD22 LEU 47 -6.241 3.178 4.392
174 HD23 LEU 47 HD23 LEU 47 -5.122 3.152 3.029
175 H PHE 48 HN PHE 48 -5.372 -0.231 -0.738
176 HA PHE 48 HA PHE 48 -7.388 1.588 -1.461
177 HB2 PHE 48 HB2 PHE 48 -5.209 1.230 -2.667
178 HB3 PHE 48 HB1 PHE 48 -5.888 -0.251 -3.335
179 HD1 PHE 48 HD1 PHE 48 -5.847 3.376 -3.498
180 HD2 PHE 48 HD2 PHE 48 -7.746 -0.152 -4.931
181 HE1 PHE 48 HE1 PHE 48 -6.840 4.664 -5.344
182 HE2 PHE 48 HE2 PHE 48 -8.742 1.131 -6.779
183 HZ PHE 48 HZ PHE 48 -8.290 3.556 -6.977
184 H CYS 49 HN CYS 49 -7.088 -1.894 -2.156
185 HA CYS 49 HA CYS 49 -9.740 -2.004 -3.280
186 HB2 CYS 49 HB2 CYS 49 -7.966 -3.441 -4.164
187 HB3 CYS 49 HB1 CYS 49 -7.792 -4.214 -2.592
188 HG CYS 49 HG CYS 49 -10.926 -4.435 -3.564
189 H LEU 50 HN LEU 50 -8.298 -2.450 -0.180
190 HA LEU 50 HA LEU 50 -10.174 -4.181 1.000
191 HB2 LEU 50 HB2 LEU 50 -7.852 -3.092 1.816
192 HB3 LEU 50 HB1 LEU 50 -8.972 -2.054 2.676
193 HG LEU 50 HG LEU 50 -10.015 -4.123 3.648
194 HD11 LEU 50 HD11 LEU 50 -7.592 -5.431 2.418
195 HD12 LEU 50 HD12 LEU 50 -9.277 -5.735 1.996
196 HD13 LEU 50 HD13 LEU 50 -8.674 -6.182 3.592
197 HD21 LEU 50 HD21 LEU 50 -7.098 -3.609 4.208
198 HD22 LEU 50 HD22 LEU 50 -8.197 -4.491 5.269
199 HD23 LEU 50 HD23 LEU 50 -8.472 -2.780 4.941
200 H LEU 51 HN LEU 51 -9.943 -0.628 1.169
201 HA LEU 51 HA LEU 51 -12.444 -0.314 2.477
202 HB2 LEU 51 HB2 LEU 51 -10.910 1.728 0.868
203 HB3 LEU 51 HB1 LEU 51 -12.158 2.059 2.053
204 HG LEU 51 HG LEU 51 -9.468 0.825 2.663
205 HD11 LEU 51 HD11 LEU 51 -8.964 2.961 3.731
206 HD12 LEU 51 HD12 LEU 51 -10.510 3.606 3.179
207 HD13 LEU 51 HD13 LEU 51 -9.270 3.161 2.005
208 HD21 LEU 51 HD21 LEU 51 -10.098 1.203 5.006
209 HD22 LEU 51 HD22 LEU 51 -11.186 0.070 4.206
210 HD23 LEU 51 HD23 LEU 51 -11.696 1.735 4.482
211 H HIS 52 HN HIS 52 -11.521 -0.756 -0.803
212 HA HIS 52 HA HIS 52 -13.661 0.515 -2.112
213 HB2 HIS 52 HB2 HIS 52 -11.615 -0.257 -3.262
214 HB3 HIS 52 HB1 HIS 52 -12.106 -1.926 -2.995
215 HD1 HIS 52 HD1 HIS 52 -13.715 -2.936 -4.651
216 HD2 HIS 52 HD2 HIS 52 -13.280 1.170 -5.127
217 HE1 HIS 52 HE1 HIS 52 -14.905 -2.378 -6.795
218 HE2 HIS 52 HE2 HIS 52 -14.561 0.098 -7.103
219 H PHE 53 HN PHE 53 -13.399 -2.585 -0.516
220 HA PHE 53 HA PHE 53 -15.635 -3.856 -1.632
221 HB2 PHE 53 HB2 PHE 53 -14.324 -4.143 1.072
222 HB3 PHE 53 HB1 PHE 53 -15.655 -5.166 0.542
223 HD1 PHE 53 HD1 PHE 53 -15.263 -6.236 -1.872
224 HD2 PHE 53 HD2 PHE 53 -12.198 -4.938 0.779
225 HE1 PHE 53 HE1 PHE 53 -13.665 -7.732 -2.995
226 HE2 PHE 53 HE2 PHE 53 -10.593 -6.432 -0.339
227 HZ PHE 53 HZ PHE 53 -11.329 -7.840 -2.222
228 H GLY 54 HN GLY 54 -15.405 -1.238 0.576
229 HA2 GLY 54 HA2 GLY 54 -17.438 0.109 0.814
230 HA3 GLY 54 HA1 GLY 54 -18.324 -1.395 1.014
231 H VAL 55 HN VAL 55 -15.229 -1.001 2.529
232 HA VAL 55 HA VAL 55 -16.213 -1.572 5.097
233 HB VAL 55 HB VAL 55 -13.594 -0.245 4.399
234 HG11 VAL 55 HG11 VAL 55 -12.805 -1.205 6.512
235 HG12 VAL 55 HG12 VAL 55 -14.428 -1.817 6.835
236 HG13 VAL 55 HG13 VAL 55 -14.139 -0.079 6.767
237 HG21 VAL 55 HG21 VAL 55 -12.659 -2.520 4.443
238 HG22 VAL 55 HG22 VAL 55 -13.855 -2.316 3.162
239 HG23 VAL 55 HG23 VAL 55 -14.286 -3.171 4.643
240 H ILE 56 HN ILE 56 -14.918 1.459 3.808
241 HA ILE 56 HA ILE 56 -15.406 3.089 5.978
242 HB ILE 56 HB ILE 56 -15.285 4.981 4.530
243 HG12 ILE 56 HG12 ILE 56 -16.917 4.154 2.827
244 HG13 ILE 56 HG11 ILE 56 -15.485 4.902 2.134
245 HG21 ILE 56 HG21 ILE 56 -13.522 2.762 3.512
246 HG22 ILE 56 HG22 ILE 56 -13.201 3.818 4.888
247 HG23 ILE 56 HG23 ILE 56 -13.240 4.484 3.255
248 HD11 ILE 56 HD11 ILE 56 -16.155 1.977 2.264
249 HD12 ILE 56 HD12 ILE 56 -14.568 2.590 1.801
250 HD13 ILE 56 HD13 ILE 56 -15.986 2.995 0.836
251 H GLY 57 HN GLY 57 -17.609 1.865 3.644
252 HA2 GLY 57 HA2 GLY 57 -19.944 1.673 4.107
253 HA3 GLY 57 HA1 GLY 57 -19.822 3.100 5.123
254 HA PRO 58 HA PRO 58 -21.718 4.903 1.442
255 HB2 PRO 58 HB2 PRO 58 -22.322 7.301 2.537
256 HB3 PRO 58 HB1 PRO 58 -23.279 5.847 2.846
257 HG2 PRO 58 HG2 PRO 58 -21.156 7.113 4.538
258 HG3 PRO 58 HG1 PRO 58 -22.730 6.454 5.026
259 HD2 PRO 58 HD2 PRO 58 -20.412 5.079 5.325
260 HD3 PRO 58 HD1 PRO 58 -21.967 4.281 5.011
261 H GLN 59 HN GLN 59 -18.794 5.473 2.838
262 HA GLN 59 HA GLN 59 -16.914 6.584 2.225
263 HB2 GLN 59 HB2 GLN 59 -17.433 5.678 -0.001
264 HB3 GLN 59 HB1 GLN 59 -18.430 7.085 -0.342
265 HG2 GLN 59 HG2 GLN 59 -16.251 7.258 -1.405
266 HG3 GLN 59 HG1 GLN 59 -16.482 8.527 -0.202
267 HE21 GLN 59 HE21 GLN 59 -15.287 8.485 1.693
268 HE22 GLN 59 HE22 GLN 59 -13.879 7.501 1.875
269 H ARG 60 HN ARG 60 -19.032 8.677 0.325
270 HA ARG 60 HA ARG 60 -18.779 10.781 2.344
271 HB2 ARG 60 HB2 ARG 60 -18.250 12.399 0.442
272 HB3 ARG 60 HB1 ARG 60 -16.952 11.337 0.969
273 HG2 ARG 60 HG2 ARG 60 -17.424 9.848 -0.928
274 HG3 ARG 60 HG1 ARG 60 -18.685 10.958 -1.465
275 HD2 ARG 60 HD2 ARG 60 -17.018 12.728 -1.723
276 HD3 ARG 60 HD1 ARG 60 -15.757 11.623 -1.174
277 HE ARG 60 HE ARG 60 -17.263 10.745 -3.484
278 HH11 ARG 60 HH11 ARG 60 -14.429 12.391 -2.299
279 HH12 ARG 60 HH12 ARG 60 -13.538 12.185 -3.770
280 HH21 ARG 60 HH21 ARG 60 -16.097 10.470 -5.423
281 HH22 ARG 60 HH22 ARG 60 -14.486 11.094 -5.547
Start of MODEL 8
1 H1 ARG 28 HT1 ARG 28 24.187 -4.341 9.577
2 H2 ARG 28 HT2 ARG 28 22.684 -4.878 10.136
3 H3 ARG 28 HT3 ARG 28 22.777 -3.514 9.142
4 HA ARG 28 HA ARG 28 23.519 -6.266 8.345
5 HB2 ARG 28 HB2 ARG 28 21.500 -6.238 6.972
6 HB3 ARG 28 HB1 ARG 28 21.098 -6.017 8.668
7 HG2 ARG 28 HG2 ARG 28 21.431 -3.646 6.880
8 HG3 ARG 28 HG1 ARG 28 19.927 -4.568 6.879
9 HD2 ARG 28 HD2 ARG 28 21.209 -3.279 9.287
10 HD3 ARG 28 HD1 ARG 28 19.813 -2.660 8.406
11 HE ARG 28 HE ARG 28 19.279 -5.287 9.247
12 HH11 ARG 28 HH11 ARG 28 19.703 -2.083 10.552
13 HH12 ARG 28 HH12 ARG 28 18.668 -2.359 11.912
14 HH21 ARG 28 HH21 ARG 28 17.915 -5.660 11.036
15 HH22 ARG 28 HH22 ARG 28 17.654 -4.394 12.189
16 H ARG 29 HN ARG 29 23.830 -6.470 6.018
17 HA ARG 29 HA ARG 29 25.417 -4.276 5.010
18 HB2 ARG 29 HB2 ARG 29 25.975 -5.821 3.174
19 HB3 ARG 29 HB1 ARG 29 26.245 -6.550 4.752
20 HG2 ARG 29 HG2 ARG 29 24.228 -7.837 4.564
21 HG3 ARG 29 HG1 ARG 29 23.792 -7.010 3.067
22 HD2 ARG 29 HD2 ARG 29 24.726 -9.214 2.610
23 HD3 ARG 29 HD1 ARG 29 25.767 -7.942 1.974
24 HE ARG 29 HE ARG 29 26.483 -8.875 4.609
25 HH11 ARG 29 HH11 ARG 29 26.920 -9.275 1.175
26 HH12 ARG 29 HH12 ARG 29 28.440 -10.092 1.333
27 HH21 ARG 29 HH21 ARG 29 28.483 -9.951 4.826
28 HH22 ARG 29 HH22 ARG 29 29.327 -10.476 3.409
29 H CYS 30 HN CYS 30 24.966 -2.976 3.294
30 HA CYS 30 HA CYS 30 22.255 -2.540 2.612
31 HB2 CYS 30 HB2 CYS 30 24.769 -1.499 1.285
32 HB3 CYS 30 HB1 CYS 30 23.144 -0.873 1.022
33 HG CYS 30 HG CYS 30 23.599 -0.800 4.222
34 H LEU 31 HN LEU 31 21.458 -4.479 1.763
35 HA LEU 31 HA LEU 31 22.163 -4.915 -1.047
36 HB2 LEU 31 HB2 LEU 31 23.361 -6.593 0.338
37 HB3 LEU 31 HB1 LEU 31 21.817 -7.144 0.961
38 HG LEU 31 HG LEU 31 21.161 -7.766 -1.368
39 HD11 LEU 31 HD11 LEU 31 24.053 -7.158 -1.968
40 HD12 LEU 31 HD12 LEU 31 22.658 -6.262 -2.570
41 HD13 LEU 31 HD13 LEU 31 22.910 -7.936 -3.062
42 HD21 LEU 31 HD21 LEU 31 23.666 -9.051 -0.284
43 HD22 LEU 31 HD22 LEU 31 22.565 -9.774 -1.455
44 HD23 LEU 31 HD23 LEU 31 22.009 -9.436 0.184
45 H PHE 32 HN PHE 32 19.901 -5.445 1.605
46 HA PHE 32 HA PHE 32 17.723 -5.582 -0.375
47 HB2 PHE 32 HB2 PHE 32 16.484 -6.892 1.437
48 HB3 PHE 32 HB1 PHE 32 17.787 -7.731 0.603
49 HD1 PHE 32 HD1 PHE 32 16.884 -5.977 3.726
50 HD2 PHE 32 HD2 PHE 32 19.654 -8.554 1.779
51 HE1 PHE 32 HE1 PHE 32 17.938 -6.474 5.893
52 HE2 PHE 32 HE2 PHE 32 20.714 -9.057 3.942
53 HZ PHE 32 HZ PHE 32 19.857 -8.023 6.001
54 H LEU 33 HN LEU 33 18.829 -3.206 0.847
55 HA LEU 33 HA LEU 33 17.068 -2.364 2.941
56 HB2 LEU 33 HB2 LEU 33 19.253 -1.413 2.887
57 HB3 LEU 33 HB1 LEU 33 19.050 -0.875 1.233
58 HG LEU 33 HG LEU 33 17.328 0.736 1.986
59 HD11 LEU 33 HD11 LEU 33 17.084 1.188 4.380
60 HD12 LEU 33 HD12 LEU 33 18.110 -0.199 4.743
61 HD13 LEU 33 HD13 LEU 33 16.546 -0.439 3.964
62 HD21 LEU 33 HD21 LEU 33 19.670 1.416 1.756
63 HD22 LEU 33 HD22 LEU 33 19.963 0.970 3.437
64 HD23 LEU 33 HD23 LEU 33 18.861 2.293 3.054
65 HA PRO 34 HA PRO 34 15.118 0.272 -0.702
66 HB2 PRO 34 HB2 PRO 34 15.585 -1.552 -2.981
67 HB3 PRO 34 HB1 PRO 34 15.713 0.207 -2.904
68 HG2 PRO 34 HG2 PRO 34 17.892 -1.330 -3.048
69 HG3 PRO 34 HG1 PRO 34 17.869 0.147 -2.067
70 HD2 PRO 34 HD2 PRO 34 17.622 -2.709 -1.200
71 HD3 PRO 34 HD1 PRO 34 18.518 -1.376 -0.446
72 H LEU 35 HN LEU 35 15.009 -2.999 0.079
73 HA LEU 35 HA LEU 35 12.621 -3.766 -1.258
74 HB2 LEU 35 HB2 LEU 35 14.560 -5.026 0.285
75 HB3 LEU 35 HB1 LEU 35 13.107 -5.137 1.261
76 HG LEU 35 HG LEU 35 13.353 -7.129 -0.095
77 HD11 LEU 35 HD11 LEU 35 11.191 -7.138 -1.212
78 HD12 LEU 35 HD12 LEU 35 11.134 -5.378 -1.136
79 HD13 LEU 35 HD13 LEU 35 11.088 -6.325 0.350
80 HD21 LEU 35 HD21 LEU 35 13.304 -7.047 -2.526
81 HD22 LEU 35 HD22 LEU 35 14.693 -6.158 -1.899
82 HD23 LEU 35 HD23 LEU 35 13.275 -5.285 -2.480
83 H PHE 36 HN PHE 36 13.093 -1.503 1.088
84 HA PHE 36 HA PHE 36 10.929 -2.028 2.851
85 HB2 PHE 36 HB2 PHE 36 11.336 0.119 3.770
86 HB3 PHE 36 HB1 PHE 36 12.911 -0.508 3.301
87 HD1 PHE 36 HD1 PHE 36 13.757 0.209 0.947
88 HD2 PHE 36 HD2 PHE 36 10.721 2.247 3.122
89 HE1 PHE 36 HE1 PHE 36 14.176 2.239 -0.379
90 HE2 PHE 36 HE2 PHE 36 11.131 4.281 1.799
91 HZ PHE 36 HZ PHE 36 12.845 4.288 0.056
92 H SER 37 HN SER 37 11.238 -0.218 -0.154
93 HA SER 37 HA SER 37 8.737 1.076 -0.057
94 HB2 SER 37 HB2 SER 37 10.224 0.240 -2.539
95 HB3 SER 37 HB1 SER 37 9.046 1.538 -2.397
96 HG SER 37 HG SER 37 11.426 2.046 -2.320
97 H PHE 38 HN PHE 38 9.668 -2.154 -0.863
98 HA PHE 38 HA PHE 38 7.340 -2.850 -2.344
99 HB2 PHE 38 HB2 PHE 38 9.487 -4.412 -0.976
100 HB3 PHE 38 HB1 PHE 38 8.095 -5.231 -1.669
101 HD1 PHE 38 HD1 PHE 38 10.968 -3.040 -2.453
102 HD2 PHE 38 HD2 PHE 38 7.955 -5.627 -3.982
103 HE1 PHE 38 HE1 PHE 38 12.066 -3.010 -4.656
104 HE2 PHE 38 HE2 PHE 38 9.048 -5.604 -6.187
105 HZ PHE 38 HZ PHE 38 11.103 -4.301 -6.527
106 H LEU 39 HN LEU 39 8.313 -3.403 1.037
107 HA LEU 39 HA LEU 39 5.836 -4.593 1.778
108 HB2 LEU 39 HB2 LEU 39 8.123 -3.426 3.347
109 HB3 LEU 39 HB1 LEU 39 6.670 -4.002 4.141
110 HG LEU 39 HG LEU 39 7.073 -6.247 3.098
111 HD11 LEU 39 HD11 LEU 39 9.320 -6.725 2.247
112 HD12 LEU 39 HD12 LEU 39 9.721 -5.010 2.357
113 HD13 LEU 39 HD13 LEU 39 8.472 -5.553 1.236
114 HD21 LEU 39 HD21 LEU 39 9.252 -5.168 4.880
115 HD22 LEU 39 HD22 LEU 39 8.852 -6.871 4.653
116 HD23 LEU 39 HD23 LEU 39 7.686 -5.785 5.408
117 H ILE 40 HN ILE 40 6.926 -1.390 1.337
118 HA ILE 40 HA ILE 40 4.862 -0.164 2.957
119 HB ILE 40 HB ILE 40 7.226 0.775 1.440
120 HG12 ILE 40 HG12 ILE 40 5.945 1.750 3.998
121 HG13 ILE 40 HG11 ILE 40 7.134 0.454 3.915
122 HG21 ILE 40 HG21 ILE 40 4.811 2.533 1.829
123 HG22 ILE 40 HG22 ILE 40 5.593 2.104 0.306
124 HG23 ILE 40 HG23 ILE 40 6.432 3.130 1.468
125 HD11 ILE 40 HD11 ILE 40 8.164 2.539 4.583
126 HD12 ILE 40 HD12 ILE 40 7.575 3.322 3.116
127 HD13 ILE 40 HD13 ILE 40 8.769 2.028 3.006
128 H VAL 41 HN VAL 41 5.443 -1.004 -0.373
129 HA VAL 41 HA VAL 41 3.240 0.565 -1.380
130 HB VAL 41 HB VAL 41 5.477 -0.161 -2.585
131 HG11 VAL 41 HG11 VAL 41 3.555 -2.321 -3.381
132 HG12 VAL 41 HG12 VAL 41 5.016 -2.541 -2.422
133 HG13 VAL 41 HG13 VAL 41 5.135 -2.015 -4.101
134 HG21 VAL 41 HG21 VAL 41 3.868 1.392 -3.509
135 HG22 VAL 41 HG22 VAL 41 2.787 0.065 -3.935
136 HG23 VAL 41 HG23 VAL 41 4.345 0.230 -4.747
137 H ALA 42 HN ALA 42 3.854 -2.705 -0.396
138 HA ALA 42 HA ALA 42 1.571 -3.890 -1.601
139 HB1 ALA 42 HB1 ALA 42 3.130 -4.831 0.804
140 HB2 ALA 42 HB2 ALA 42 3.532 -5.185 -0.878
141 HB3 ALA 42 HB3 ALA 42 2.033 -5.800 -0.180
142 H GLY 43 HN GLY 43 2.144 -2.268 1.455
143 HA2 GLY 43 HA2 GLY 43 -0.387 -3.058 2.590
144 HA3 GLY 43 HA1 GLY 43 0.747 -1.901 3.269
145 H ALA 44 HN ALA 44 0.848 -0.301 0.816
146 HA ALA 44 HA ALA 44 -1.270 1.482 1.402
147 HB1 ALA 44 HB1 ALA 44 0.897 2.219 0.516
148 HB2 ALA 44 HB2 ALA 44 -0.448 2.796 -0.468
149 HB3 ALA 44 HB3 ALA 44 0.527 1.435 -1.019
150 H THR 45 HN THR 45 -0.771 -0.905 -1.153
151 HA THR 45 HA THR 45 -3.108 -0.188 -2.629
152 HB THR 45 HB THR 45 -2.771 -2.470 -3.705
153 HG1 THR 45 HG1 THR 45 -1.518 -3.735 -2.555
154 HG21 THR 45 HG21 THR 45 -0.782 -1.751 -4.940
155 HG22 THR 45 HG22 THR 45 -0.448 -0.542 -3.700
156 HG23 THR 45 HG23 THR 45 -1.902 -0.412 -4.691
157 H THR 46 HN THR 46 -2.420 -2.392 -0.006
158 HA THR 46 HA THR 46 -4.783 -3.943 -0.186
159 HB THR 46 HB THR 46 -3.070 -3.381 2.243
160 HG1 THR 46 HG1 THR 46 -2.934 -5.286 0.153
161 HG21 THR 46 HG21 THR 46 -4.013 -5.468 3.123
162 HG22 THR 46 HG22 THR 46 -5.060 -5.592 1.709
163 HG23 THR 46 HG23 THR 46 -5.271 -4.263 2.849
164 H LEU 47 HN LEU 47 -3.944 -1.042 1.666
165 HA LEU 47 HA LEU 47 -6.410 -0.877 3.061
166 HB2 LEU 47 HB2 LEU 47 -4.349 0.203 3.841
167 HB3 LEU 47 HB1 LEU 47 -4.380 1.271 2.452
168 HG LEU 47 HG LEU 47 -6.516 2.232 3.275
169 HD11 LEU 47 HD11 LEU 47 -5.972 0.500 5.682
170 HD12 LEU 47 HD12 LEU 47 -7.327 0.346 4.564
171 HD13 LEU 47 HD13 LEU 47 -7.190 1.772 5.592
172 HD21 LEU 47 HD21 LEU 47 -4.391 3.315 3.769
173 HD22 LEU 47 HD22 LEU 47 -4.211 2.327 5.219
174 HD23 LEU 47 HD23 LEU 47 -5.520 3.506 5.111
175 H PHE 48 HN PHE 48 -5.227 0.510 0.043
176 HA PHE 48 HA PHE 48 -7.453 2.230 -0.377
177 HB2 PHE 48 HB2 PHE 48 -5.211 2.506 -1.455
178 HB3 PHE 48 HB1 PHE 48 -5.565 1.099 -2.451
179 HD1 PHE 48 HD1 PHE 48 -6.334 4.616 -1.829
180 HD2 PHE 48 HD2 PHE 48 -7.181 1.215 -4.244
181 HE1 PHE 48 HE1 PHE 48 -7.452 6.067 -3.472
182 HE2 PHE 48 HE2 PHE 48 -8.300 2.662 -5.891
183 HZ PHE 48 HZ PHE 48 -8.435 5.089 -5.507
184 H CYS 49 HN CYS 49 -6.641 -1.031 -1.459
185 HA CYS 49 HA CYS 49 -8.999 -1.294 -3.077
186 HB2 CYS 49 HB2 CYS 49 -8.229 -3.477 -3.579
187 HB3 CYS 49 HB1 CYS 49 -6.780 -2.491 -3.444
188 HG CYS 49 HG CYS 49 -6.414 -5.094 -2.338
189 H LEU 50 HN LEU 50 -8.184 -1.800 0.226
190 HA LEU 50 HA LEU 50 -9.913 -3.798 1.031
191 HB2 LEU 50 HB2 LEU 50 -8.190 -2.330 2.353
192 HB3 LEU 50 HB1 LEU 50 -9.591 -1.343 2.710
193 HG LEU 50 HG LEU 50 -10.697 -3.399 3.647
194 HD11 LEU 50 HD11 LEU 50 -9.211 -5.264 4.274
195 HD12 LEU 50 HD12 LEU 50 -7.917 -4.527 3.327
196 HD13 LEU 50 HD13 LEU 50 -9.384 -5.093 2.526
197 HD21 LEU 50 HD21 LEU 50 -9.457 -3.322 5.752
198 HD22 LEU 50 HD22 LEU 50 -9.677 -1.707 5.080
199 HD23 LEU 50 HD23 LEU 50 -8.116 -2.516 4.938
200 H LEU 51 HN LEU 51 -10.593 -0.319 0.743
201 HA LEU 51 HA LEU 51 -13.259 -0.435 1.619
202 HB2 LEU 51 HB2 LEU 51 -12.023 1.524 -0.316
203 HB3 LEU 51 HB1 LEU 51 -13.515 1.758 0.573
204 HG LEU 51 HG LEU 51 -10.777 1.499 1.817
205 HD11 LEU 51 HD11 LEU 51 -11.043 3.582 0.566
206 HD12 LEU 51 HD12 LEU 51 -10.987 3.874 2.304
207 HD13 LEU 51 HD13 LEU 51 -12.530 3.924 1.450
208 HD21 LEU 51 HD21 LEU 51 -12.545 0.667 3.272
209 HD22 LEU 51 HD22 LEU 51 -13.453 2.162 3.041
210 HD23 LEU 51 HD23 LEU 51 -11.900 2.193 3.877
211 H HIS 52 HN HIS 52 -11.807 -1.157 -1.457
212 HA HIS 52 HA HIS 52 -14.234 -1.027 -2.972
213 HB2 HIS 52 HB2 HIS 52 -11.935 -0.778 -3.946
214 HB3 HIS 52 HB1 HIS 52 -11.685 -2.498 -3.666
215 HD1 HIS 52 HD1 HIS 52 -13.562 -0.107 -5.848
216 HD2 HIS 52 HD2 HIS 52 -12.970 -4.201 -5.469
217 HE1 HIS 52 HE1 HIS 52 -14.498 -1.118 -7.951
218 HE2 HIS 52 HE2 HIS 52 -14.109 -3.596 -7.711
219 H PHE 53 HN PHE 53 -12.826 -3.323 -0.867
220 HA PHE 53 HA PHE 53 -13.913 -5.696 -1.971
221 HB2 PHE 53 HB2 PHE 53 -12.038 -5.519 -0.266
222 HB3 PHE 53 HB1 PHE 53 -13.283 -5.223 0.943
223 HD1 PHE 53 HD1 PHE 53 -12.052 -7.688 -1.521
224 HD2 PHE 53 HD2 PHE 53 -14.487 -6.997 1.899
225 HE1 PHE 53 HE1 PHE 53 -12.337 -10.116 -1.238
226 HE2 PHE 53 HE2 PHE 53 -14.778 -9.423 2.188
227 HZ PHE 53 HZ PHE 53 -13.701 -10.985 0.619
228 H GLY 54 HN GLY 54 -15.328 -3.085 -0.302
229 HA2 GLY 54 HA2 GLY 54 -17.788 -3.029 -0.402
230 HA3 GLY 54 HA1 GLY 54 -17.765 -4.698 0.145
231 H VAL 55 HN VAL 55 -15.595 -2.328 1.495
232 HA VAL 55 HA VAL 55 -16.662 -2.797 4.123
233 HB VAL 55 HB VAL 55 -14.515 -0.844 3.292
234 HG11 VAL 55 HG11 VAL 55 -13.807 -0.974 5.627
235 HG12 VAL 55 HG12 VAL 55 -15.158 -2.050 5.981
236 HG13 VAL 55 HG13 VAL 55 -15.464 -0.383 5.496
237 HG21 VAL 55 HG21 VAL 55 -14.255 -3.691 4.254
238 HG22 VAL 55 HG22 VAL 55 -12.921 -2.578 3.949
239 HG23 VAL 55 HG23 VAL 55 -13.942 -3.116 2.616
240 H ILE 56 HN ILE 56 -16.728 -0.210 1.771
241 HA ILE 56 HA ILE 56 -18.693 1.182 3.444
242 HB ILE 56 HB ILE 56 -17.809 3.360 2.674
243 HG12 ILE 56 HG12 ILE 56 -15.432 1.754 1.707
244 HG13 ILE 56 HG11 ILE 56 -16.657 2.441 0.646
245 HG21 ILE 56 HG21 ILE 56 -17.207 2.497 4.867
246 HG22 ILE 56 HG22 ILE 56 -15.864 3.398 4.164
247 HG23 ILE 56 HG23 ILE 56 -15.837 1.634 4.167
248 HD11 ILE 56 HD11 ILE 56 -14.665 3.826 0.720
249 HD12 ILE 56 HD12 ILE 56 -14.833 3.993 2.467
250 HD13 ILE 56 HD13 ILE 56 -16.053 4.680 1.394
251 H GLY 57 HN GLY 57 -17.467 0.475 0.276
252 HA2 GLY 57 HA2 GLY 57 -18.410 0.580 -1.820
253 HA3 GLY 57 HA1 GLY 57 -19.921 0.259 -0.984
254 HA PRO 58 HA PRO 58 -20.259 4.497 -2.811
255 HB2 PRO 58 HB2 PRO 58 -22.407 4.109 -4.356
256 HB3 PRO 58 HB1 PRO 58 -20.795 3.609 -4.884
257 HG2 PRO 58 HG2 PRO 58 -23.016 1.958 -3.753
258 HG3 PRO 58 HG1 PRO 58 -21.904 1.580 -5.079
259 HD2 PRO 58 HD2 PRO 58 -21.627 0.671 -2.484
260 HD3 PRO 58 HD1 PRO 58 -20.302 0.793 -3.658
261 H GLN 59 HN GLN 59 -21.204 3.419 -0.257
262 HA GLN 59 HA GLN 59 -22.650 3.927 1.415
263 HB2 GLN 59 HB2 GLN 59 -22.151 6.244 0.722
264 HB3 GLN 59 HB1 GLN 59 -23.488 6.182 -0.419
265 HG2 GLN 59 HG2 GLN 59 -24.130 7.370 1.586
266 HG3 GLN 59 HG1 GLN 59 -25.055 5.877 1.429
267 HE21 GLN 59 HE21 GLN 59 -25.522 5.771 3.608
268 HE22 GLN 59 HE22 GLN 59 -24.333 5.379 4.799
269 H ARG 60 HN ARG 60 -23.883 2.071 1.266
270 HA ARG 60 HA ARG 60 -25.758 0.813 1.022
271 HB2 ARG 60 HB2 ARG 60 -27.099 3.471 0.499
272 HB3 ARG 60 HB1 ARG 60 -27.910 1.971 0.927
273 HG2 ARG 60 HG2 ARG 60 -26.781 1.975 3.093
274 HG3 ARG 60 HG1 ARG 60 -25.969 3.483 2.663
275 HD2 ARG 60 HD2 ARG 60 -28.176 4.565 2.427
276 HD3 ARG 60 HD1 ARG 60 -28.943 3.066 2.948
277 HE ARG 60 HE ARG 60 -26.998 4.023 4.817
278 HH11 ARG 60 HH11 ARG 60 -30.302 4.336 3.755
279 HH12 ARG 60 HH12 ARG 60 -30.870 4.935 5.277
280 HH21 ARG 60 HH21 ARG 60 -27.735 4.810 6.823
281 HH22 ARG 60 HH22 ARG 60 -29.409 5.207 7.022
Start of MODEL 9
1 H1 ARG 28 HT1 ARG 28 18.148 12.889 -6.718
2 H2 ARG 28 HT2 ARG 28 18.217 12.553 -8.375
3 H3 ARG 28 HT3 ARG 28 19.131 11.634 -7.287
4 HA ARG 28 HA ARG 28 17.156 10.730 -6.296
5 HB2 ARG 28 HB2 ARG 28 15.719 12.684 -6.639
6 HB3 ARG 28 HB1 ARG 28 15.723 12.397 -8.373
7 HG2 ARG 28 HG2 ARG 28 14.479 10.384 -8.124
8 HG3 ARG 28 HG1 ARG 28 14.655 10.427 -6.367
9 HD2 ARG 28 HD2 ARG 28 12.427 11.165 -7.100
10 HD3 ARG 28 HD1 ARG 28 13.306 12.436 -6.250
11 HE ARG 28 HE ARG 28 13.625 12.556 -9.097
12 HH11 ARG 28 HH11 ARG 28 11.563 13.446 -6.429
13 HH12 ARG 28 HH12 ARG 28 10.851 14.788 -7.262
14 HH21 ARG 28 HH21 ARG 28 12.693 14.320 -10.196
15 HH22 ARG 28 HH22 ARG 28 11.497 15.287 -9.401
16 H ARG 29 HN ARG 29 17.879 8.789 -6.962
17 HA ARG 29 HA ARG 29 18.052 8.125 -9.769
18 HB2 ARG 29 HB2 ARG 29 18.607 6.555 -7.253
19 HB3 ARG 29 HB1 ARG 29 18.751 5.863 -8.861
20 HG2 ARG 29 HG2 ARG 29 20.223 8.373 -8.216
21 HG3 ARG 29 HG1 ARG 29 20.841 6.826 -7.636
22 HD2 ARG 29 HD2 ARG 29 21.882 7.323 -9.739
23 HD3 ARG 29 HD1 ARG 29 20.761 5.981 -9.970
24 HE ARG 29 HE ARG 29 19.224 8.004 -10.691
25 HH11 ARG 29 HH11 ARG 29 22.564 7.383 -11.456
26 HH12 ARG 29 HH12 ARG 29 22.496 8.184 -12.989
27 HH21 ARG 29 HH21 ARG 29 19.122 9.061 -12.709
28 HH22 ARG 29 HH22 ARG 29 20.540 9.139 -13.702
29 H CYS 30 HN CYS 30 16.746 6.778 -10.914
30 HA CYS 30 HA CYS 30 14.431 5.610 -9.528
31 HB2 CYS 30 HB2 CYS 30 13.687 7.671 -10.617
32 HB3 CYS 30 HB1 CYS 30 14.360 7.123 -12.148
33 HG CYS 30 HG CYS 30 12.068 6.261 -12.912
34 H LEU 31 HN LEU 31 15.755 3.673 -9.641
35 HA LEU 31 HA LEU 31 15.233 2.205 -12.086
36 HB2 LEU 31 HB2 LEU 31 17.465 3.252 -12.414
37 HB3 LEU 31 HB1 LEU 31 18.035 2.413 -10.985
38 HG LEU 31 HG LEU 31 17.625 0.252 -12.100
39 HD11 LEU 31 HD11 LEU 31 15.823 0.906 -13.586
40 HD12 LEU 31 HD12 LEU 31 17.159 0.218 -14.511
41 HD13 LEU 31 HD13 LEU 31 16.915 1.966 -14.478
42 HD21 LEU 31 HD21 LEU 31 19.832 1.270 -12.219
43 HD22 LEU 31 HD22 LEU 31 19.354 2.168 -13.661
44 HD23 LEU 31 HD23 LEU 31 19.463 0.409 -13.714
45 H PHE 32 HN PHE 32 16.774 2.143 -8.888
46 HA PHE 32 HA PHE 32 15.687 -0.569 -8.507
47 HB2 PHE 32 HB2 PHE 32 18.184 0.693 -7.365
48 HB3 PHE 32 HB1 PHE 32 17.512 -0.824 -6.779
49 HD1 PHE 32 HD1 PHE 32 19.369 0.815 -9.428
50 HD2 PHE 32 HD2 PHE 32 17.516 -2.818 -8.211
51 HE1 PHE 32 HE1 PHE 32 20.607 -0.396 -11.175
52 HE2 PHE 32 HE2 PHE 32 18.752 -4.036 -9.955
53 HZ PHE 32 HZ PHE 32 20.298 -2.836 -11.434
54 H LEU 33 HN LEU 33 15.913 2.659 -7.297
55 HA LEU 33 HA LEU 33 15.092 2.272 -4.649
56 HB2 LEU 33 HB2 LEU 33 15.958 4.395 -5.891
57 HB3 LEU 33 HB1 LEU 33 14.266 4.675 -6.239
58 HG LEU 33 HG LEU 33 15.087 5.941 -4.279
59 HD11 LEU 33 HD11 LEU 33 12.711 5.319 -4.510
60 HD12 LEU 33 HD12 LEU 33 13.226 5.470 -2.831
61 HD13 LEU 33 HD13 LEU 33 13.023 3.873 -3.550
62 HD21 LEU 33 HD21 LEU 33 16.705 4.302 -3.457
63 HD22 LEU 33 HD22 LEU 33 15.384 3.225 -3.006
64 HD23 LEU 33 HD23 LEU 33 15.569 4.779 -2.196
65 HA PRO 34 HA PRO 34 10.539 3.119 -6.569
66 HB2 PRO 34 HB2 PRO 34 11.097 1.319 -8.893
67 HB3 PRO 34 HB1 PRO 34 9.979 2.683 -8.771
68 HG2 PRO 34 HG2 PRO 34 12.303 2.970 -10.016
69 HG3 PRO 34 HG1 PRO 34 11.673 4.259 -8.974
70 HD2 PRO 34 HD2 PRO 34 13.878 2.322 -8.470
71 HD3 PRO 34 HD1 PRO 34 13.699 4.000 -7.922
72 H LEU 35 HN LEU 35 12.502 0.189 -6.718
73 HA LEU 35 HA LEU 35 10.303 -1.574 -6.192
74 HB2 LEU 35 HB2 LEU 35 12.271 -2.377 -7.380
75 HB3 LEU 35 HB1 LEU 35 13.278 -2.032 -5.986
76 HG LEU 35 HG LEU 35 11.004 -3.865 -5.512
77 HD11 LEU 35 HD11 LEU 35 11.738 -4.639 -7.689
78 HD12 LEU 35 HD12 LEU 35 12.205 -5.784 -6.431
79 HD13 LEU 35 HD13 LEU 35 13.408 -4.697 -7.124
80 HD21 LEU 35 HD21 LEU 35 12.550 -3.338 -3.731
81 HD22 LEU 35 HD22 LEU 35 13.915 -3.846 -4.726
82 HD23 LEU 35 HD23 LEU 35 12.728 -5.033 -4.187
83 H PHE 36 HN PHE 36 12.789 -0.001 -4.246
84 HA PHE 36 HA PHE 36 12.325 -1.383 -1.845
85 HB2 PHE 36 HB2 PHE 36 14.255 0.179 -2.364
86 HB3 PHE 36 HB1 PHE 36 13.153 1.515 -2.049
87 HD1 PHE 36 HD1 PHE 36 14.636 -1.510 -0.497
88 HD2 PHE 36 HD2 PHE 36 12.798 2.278 0.121
89 HE1 PHE 36 HE1 PHE 36 15.144 -1.661 1.905
90 HE2 PHE 36 HE2 PHE 36 13.303 2.134 2.525
91 HZ PHE 36 HZ PHE 36 14.473 0.148 3.420
92 H SER 37 HN SER 37 10.442 0.923 -3.521
93 HA SER 37 HA SER 37 8.955 1.812 -1.214
94 HB2 SER 37 HB2 SER 37 8.082 2.150 -4.067
95 HB3 SER 37 HB1 SER 37 7.727 3.178 -2.684
96 HG SER 37 HG SER 37 9.652 3.500 -4.411
97 H PHE 38 HN PHE 38 8.796 -0.765 -3.512
98 HA PHE 38 HA PHE 38 6.073 -1.388 -3.417
99 HB2 PHE 38 HB2 PHE 38 8.552 -2.876 -4.065
100 HB3 PHE 38 HB1 PHE 38 7.141 -3.847 -3.665
101 HD1 PHE 38 HD1 PHE 38 8.270 -1.082 -5.874
102 HD2 PHE 38 HD2 PHE 38 5.540 -4.294 -5.285
103 HE1 PHE 38 HE1 PHE 38 7.433 -0.785 -8.169
104 HE2 PHE 38 HE2 PHE 38 4.698 -4.003 -7.579
105 HZ PHE 38 HZ PHE 38 5.634 -2.259 -9.021
106 H LEU 39 HN LEU 39 8.680 -2.028 -1.191
107 HA LEU 39 HA LEU 39 7.283 -3.877 0.456
108 HB2 LEU 39 HB2 LEU 39 9.850 -2.498 0.453
109 HB3 LEU 39 HB1 LEU 39 9.175 -2.625 2.064
110 HG LEU 39 HG LEU 39 8.947 -5.098 1.692
111 HD11 LEU 39 HD11 LEU 39 10.266 -6.096 -0.117
112 HD12 LEU 39 HD12 LEU 39 10.593 -4.486 -0.759
113 HD13 LEU 39 HD13 LEU 39 8.942 -5.107 -0.735
114 HD21 LEU 39 HD21 LEU 39 11.327 -5.563 2.031
115 HD22 LEU 39 HD22 LEU 39 10.800 -4.168 2.971
116 HD23 LEU 39 HD23 LEU 39 11.723 -3.933 1.487
117 H ILE 40 HN ILE 40 7.302 -0.463 0.121
118 HA ILE 40 HA ILE 40 6.115 0.065 2.711
119 HB ILE 40 HB ILE 40 7.025 1.742 0.413
120 HG12 ILE 40 HG12 ILE 40 7.443 2.017 3.393
121 HG13 ILE 40 HG11 ILE 40 8.502 1.092 2.333
122 HG21 ILE 40 HG21 ILE 40 5.091 2.654 2.530
123 HG22 ILE 40 HG22 ILE 40 4.884 2.707 0.779
124 HG23 ILE 40 HG23 ILE 40 6.072 3.752 1.559
125 HD11 ILE 40 HD11 ILE 40 9.002 3.142 1.079
126 HD12 ILE 40 HD12 ILE 40 9.442 3.269 2.783
127 HD13 ILE 40 HD13 ILE 40 7.977 4.052 2.189
128 H VAL 41 HN VAL 41 5.126 0.189 -0.695
129 HA VAL 41 HA VAL 41 2.441 0.974 -0.131
130 HB VAL 41 HB VAL 41 3.517 -0.285 -2.658
131 HG11 VAL 41 HG11 VAL 41 1.651 0.914 -3.736
132 HG12 VAL 41 HG12 VAL 41 1.081 1.417 -2.144
133 HG13 VAL 41 HG13 VAL 41 1.100 -0.293 -2.573
134 HG21 VAL 41 HG21 VAL 41 3.365 2.625 -1.875
135 HG22 VAL 41 HG22 VAL 41 3.813 2.014 -3.468
136 HG23 VAL 41 HG23 VAL 41 4.835 1.672 -2.071
137 H ALA 42 HN ALA 42 4.120 -2.019 -0.160
138 HA ALA 42 HA ALA 42 2.288 -3.909 -0.883
139 HB1 ALA 42 HB1 ALA 42 4.124 -4.056 1.504
140 HB2 ALA 42 HB2 ALA 42 4.563 -4.432 -0.162
141 HB3 ALA 42 HB3 ALA 42 3.378 -5.427 0.682
142 H GLY 43 HN GLY 43 2.376 -2.064 2.121
143 HA2 GLY 43 HA2 GLY 43 0.157 -3.529 3.263
144 HA3 GLY 43 HA1 GLY 43 0.953 -2.127 3.960
145 H ALA 44 HN ALA 44 0.639 -0.553 1.499
146 HA ALA 44 HA ALA 44 -1.885 0.607 2.096
147 HB1 ALA 44 HB1 ALA 44 -0.031 1.141 -0.220
148 HB2 ALA 44 HB2 ALA 44 0.012 1.945 1.348
149 HB3 ALA 44 HB3 ALA 44 -1.378 2.160 0.284
150 H THR 45 HN THR 45 -0.875 -1.844 -0.109
151 HA THR 45 HA THR 45 -2.894 -1.552 -2.067
152 HB THR 45 HB THR 45 -2.424 -3.919 -2.647
153 HG1 THR 45 HG1 THR 45 -1.627 -4.064 -0.147
154 HG21 THR 45 HG21 THR 45 0.030 -2.224 -2.172
155 HG22 THR 45 HG22 THR 45 -1.033 -2.140 -3.576
156 HG23 THR 45 HG23 THR 45 -0.076 -3.592 -3.280
157 H THR 46 HN THR 46 -2.711 -3.504 0.893
158 HA THR 46 HA THR 46 -5.160 -4.837 0.616
159 HB THR 46 HB THR 46 -3.863 -3.992 3.215
160 HG1 THR 46 HG1 THR 46 -3.408 -6.206 1.488
161 HG21 THR 46 HG21 THR 46 -6.181 -4.806 3.431
162 HG22 THR 46 HG22 THR 46 -5.022 -5.917 4.160
163 HG23 THR 46 HG23 THR 46 -5.727 -6.287 2.588
164 H LEU 47 HN LEU 47 -4.376 -1.632 1.784
165 HA LEU 47 HA LEU 47 -6.997 -1.120 2.855
166 HB2 LEU 47 HB2 LEU 47 -4.712 -0.069 3.521
167 HB3 LEU 47 HB1 LEU 47 -4.991 1.002 2.163
168 HG LEU 47 HG LEU 47 -7.063 0.712 4.313
169 HD11 LEU 47 HD11 LEU 47 -6.059 2.601 5.484
170 HD12 LEU 47 HD12 LEU 47 -4.697 2.581 4.363
171 HD13 LEU 47 HD13 LEU 47 -4.962 1.220 5.453
172 HD21 LEU 47 HD21 LEU 47 -6.324 2.891 2.364
173 HD22 LEU 47 HD22 LEU 47 -7.549 3.047 3.623
174 HD23 LEU 47 HD23 LEU 47 -7.762 1.873 2.326
175 H PHE 48 HN PHE 48 -5.285 -0.517 -0.145
176 HA PHE 48 HA PHE 48 -7.034 1.345 -1.298
177 HB2 PHE 48 HB2 PHE 48 -4.874 0.977 -2.279
178 HB3 PHE 48 HB1 PHE 48 -5.221 -0.727 -2.545
179 HD1 PHE 48 HD1 PHE 48 -6.315 2.682 -3.539
180 HD2 PHE 48 HD2 PHE 48 -6.088 -1.440 -4.575
181 HE1 PHE 48 HE1 PHE 48 -7.129 3.209 -5.801
182 HE2 PHE 48 HE2 PHE 48 -6.902 -0.920 -6.839
183 HZ PHE 48 HZ PHE 48 -7.423 1.406 -7.454
184 H CYS 49 HN CYS 49 -6.858 -2.168 -1.908
185 HA CYS 49 HA CYS 49 -9.247 -2.287 -3.395
186 HB2 CYS 49 HB2 CYS 49 -7.539 -4.033 -3.527
187 HB3 CYS 49 HB1 CYS 49 -7.832 -4.468 -1.847
188 HG CYS 49 HG CYS 49 -10.726 -4.690 -3.186
189 H LEU 50 HN LEU 50 -8.636 -2.179 -0.006
190 HA LEU 50 HA LEU 50 -10.955 -3.442 0.962
191 HB2 LEU 50 HB2 LEU 50 -8.754 -2.392 2.115
192 HB3 LEU 50 HB1 LEU 50 -9.911 -1.125 2.472
193 HG LEU 50 HG LEU 50 -11.397 -2.936 3.456
194 HD11 LEU 50 HD11 LEU 50 -10.291 -4.991 4.164
195 HD12 LEU 50 HD12 LEU 50 -8.828 -4.509 3.302
196 HD13 LEU 50 HD13 LEU 50 -10.309 -4.850 2.406
197 HD21 LEU 50 HD21 LEU 50 -8.723 -2.372 4.733
198 HD22 LEU 50 HD22 LEU 50 -10.148 -2.983 5.573
199 HD23 LEU 50 HD23 LEU 50 -10.173 -1.375 4.851
200 H LEU 51 HN LEU 51 -10.284 0.001 0.352
201 HA LEU 51 HA LEU 51 -12.796 0.976 1.110
202 HB2 LEU 51 HB2 LEU 51 -10.902 2.107 -0.950
203 HB3 LEU 51 HB1 LEU 51 -12.214 2.977 -0.181
204 HG LEU 51 HG LEU 51 -9.764 1.898 1.218
205 HD11 LEU 51 HD11 LEU 51 -9.179 4.259 1.503
206 HD12 LEU 51 HD12 LEU 51 -10.577 4.719 0.531
207 HD13 LEU 51 HD13 LEU 51 -9.257 3.805 -0.200
208 HD21 LEU 51 HD21 LEU 51 -11.698 1.863 2.687
209 HD22 LEU 51 HD22 LEU 51 -12.071 3.535 2.268
210 HD23 LEU 51 HD23 LEU 51 -10.596 3.158 3.156
211 H HIS 52 HN HIS 52 -11.726 -0.551 -1.831
212 HA HIS 52 HA HIS 52 -13.992 0.293 -3.390
213 HB2 HIS 52 HB2 HIS 52 -11.763 -1.677 -3.851
214 HB3 HIS 52 HB1 HIS 52 -13.106 -1.524 -4.978
215 HD1 HIS 52 HD1 HIS 52 -10.852 -0.873 -6.487
216 HD2 HIS 52 HD2 HIS 52 -12.303 1.947 -3.802
217 HE1 HIS 52 HE1 HIS 52 -9.906 1.329 -7.247
218 HE2 HIS 52 HE2 HIS 52 -10.790 3.021 -5.603
219 H PHE 53 HN PHE 53 -13.417 -2.133 -1.082
220 HA PHE 53 HA PHE 53 -15.155 -4.151 -2.045
221 HB2 PHE 53 HB2 PHE 53 -13.443 -4.554 -0.311
222 HB3 PHE 53 HB1 PHE 53 -14.349 -3.543 0.808
223 HD1 PHE 53 HD1 PHE 53 -14.511 -6.669 -1.168
224 HD2 PHE 53 HD2 PHE 53 -16.101 -4.428 2.080
225 HE1 PHE 53 HE1 PHE 53 -15.803 -8.637 -0.448
226 HE2 PHE 53 HE2 PHE 53 -17.393 -6.391 2.808
227 HZ PHE 53 HZ PHE 53 -17.247 -8.503 1.531
228 H GLY 54 HN GLY 54 -15.726 -1.094 -0.613
229 HA2 GLY 54 HA2 GLY 54 -18.017 -0.242 -0.864
230 HA3 GLY 54 HA1 GLY 54 -18.577 -1.803 -0.284
231 H VAL 55 HN VAL 55 -15.815 -0.305 1.175
232 HA VAL 55 HA VAL 55 -17.175 -0.198 3.720
233 HB VAL 55 HB VAL 55 -14.374 0.745 3.103
234 HG11 VAL 55 HG11 VAL 55 -15.699 -0.181 5.649
235 HG12 VAL 55 HG12 VAL 55 -15.193 1.463 5.259
236 HG13 VAL 55 HG13 VAL 55 -13.984 0.197 5.478
237 HG21 VAL 55 HG21 VAL 55 -15.290 -2.026 3.871
238 HG22 VAL 55 HG22 VAL 55 -13.613 -1.494 3.748
239 HG23 VAL 55 HG23 VAL 55 -14.630 -1.543 2.308
240 H ILE 56 HN ILE 56 -16.779 1.894 1.125
241 HA ILE 56 HA ILE 56 -17.718 4.142 2.713
242 HB ILE 56 HB ILE 56 -16.152 5.700 1.513
243 HG12 ILE 56 HG12 ILE 56 -14.615 3.155 0.938
244 HG13 ILE 56 HG11 ILE 56 -15.489 4.092 -0.270
245 HG21 ILE 56 HG21 ILE 56 -14.919 3.682 3.383
246 HG22 ILE 56 HG22 ILE 56 -15.836 5.115 3.848
247 HG23 ILE 56 HG23 ILE 56 -14.279 5.289 3.040
248 HD11 ILE 56 HD11 ILE 56 -13.145 5.057 1.351
249 HD12 ILE 56 HD12 ILE 56 -14.021 5.992 0.139
250 HD13 ILE 56 HD13 ILE 56 -13.111 4.560 -0.341
251 H GLY 57 HN GLY 57 -19.646 4.335 1.766
252 HA2 GLY 57 HA2 GLY 57 -20.303 3.807 -0.888
253 HA3 GLY 57 HA1 GLY 57 -21.216 4.866 0.176
254 HA PRO 58 HA PRO 58 -19.299 7.406 -3.249
255 HB2 PRO 58 HB2 PRO 58 -21.552 8.330 -4.389
256 HB3 PRO 58 HB1 PRO 58 -20.887 6.744 -4.798
257 HG2 PRO 58 HG2 PRO 58 -23.131 7.430 -2.938
258 HG3 PRO 58 HG1 PRO 58 -23.038 6.137 -4.147
259 HD2 PRO 58 HD2 PRO 58 -22.597 5.737 -1.482
260 HD3 PRO 58 HD1 PRO 58 -21.848 4.752 -2.754
261 H GLN 59 HN GLN 59 -19.416 8.133 -0.582
262 HA GLN 59 HA GLN 59 -20.694 10.784 -0.633
263 HB2 GLN 59 HB2 GLN 59 -19.882 9.094 1.739
264 HB3 GLN 59 HB1 GLN 59 -20.617 10.689 1.831
265 HG2 GLN 59 HG2 GLN 59 -22.655 9.887 0.892
266 HG3 GLN 59 HG1 GLN 59 -21.930 8.324 0.519
267 HE21 GLN 59 HE21 GLN 59 -21.328 10.037 3.495
268 HE22 GLN 59 HE22 GLN 59 -22.186 8.949 4.526
269 H ARG 60 HN ARG 60 -17.985 9.803 -1.619
270 HA ARG 60 HA ARG 60 -15.953 10.823 0.027
271 HB2 ARG 60 HB2 ARG 60 -15.521 9.321 -1.868
272 HB3 ARG 60 HB1 ARG 60 -16.025 10.580 -2.988
273 HG2 ARG 60 HG2 ARG 60 -14.151 11.965 -2.314
274 HG3 ARG 60 HG1 ARG 60 -13.662 10.753 -1.129
275 HD2 ARG 60 HD2 ARG 60 -13.803 10.329 -4.112
276 HD3 ARG 60 HD1 ARG 60 -12.330 10.633 -3.194
277 HE ARG 60 HE ARG 60 -13.390 8.460 -1.976
278 HH11 ARG 60 HH11 ARG 60 -12.625 9.217 -5.289
279 HH12 ARG 60 HH12 ARG 60 -12.280 7.576 -5.721
280 HH21 ARG 60 HH21 ARG 60 -12.940 6.294 -2.536
281 HH22 ARG 60 HH22 ARG 60 -12.457 5.915 -4.155
Start of MODEL 10
1 H1 ARG 28 HT1 ARG 28 27.654 0.818 4.175
2 H2 ARG 28 HT2 ARG 28 27.710 1.749 5.586
3 H3 ARG 28 HT3 ARG 28 27.216 2.452 4.128
4 HA ARG 28 HA ARG 28 25.789 0.291 5.564
5 HB2 ARG 28 HB2 ARG 28 25.106 3.226 5.278
6 HB3 ARG 28 HB1 ARG 28 24.097 2.011 6.051
7 HG2 ARG 28 HG2 ARG 28 25.997 1.620 7.659
8 HG3 ARG 28 HG1 ARG 28 26.756 3.060 6.974
9 HD2 ARG 28 HD2 ARG 28 25.523 3.628 8.989
10 HD3 ARG 28 HD1 ARG 28 24.776 4.377 7.579
11 HE ARG 28 HE ARG 28 23.607 1.849 8.226
12 HH11 ARG 28 HH11 ARG 28 23.608 5.240 9.035
13 HH12 ARG 28 HH12 ARG 28 21.988 5.224 9.649
14 HH21 ARG 28 HH21 ARG 28 21.479 1.821 9.038
15 HH22 ARG 28 HH22 ARG 28 20.780 3.281 9.653
16 H ARG 29 HN ARG 29 26.578 0.140 2.850
17 HA ARG 29 HA ARG 29 24.096 0.716 1.388
18 HB2 ARG 29 HB2 ARG 29 26.125 1.590 0.357
19 HB3 ARG 29 HB1 ARG 29 26.855 -0.008 0.382
20 HG2 ARG 29 HG2 ARG 29 25.228 -0.819 -1.209
21 HG3 ARG 29 HG1 ARG 29 24.389 0.734 -1.179
22 HD2 ARG 29 HD2 ARG 29 26.324 1.837 -2.122
23 HD3 ARG 29 HD1 ARG 29 27.249 0.338 -2.049
24 HE ARG 29 HE ARG 29 24.983 -0.162 -3.580
25 HH11 ARG 29 HH11 ARG 29 27.828 1.845 -3.724
26 HH12 ARG 29 HH12 ARG 29 27.891 1.856 -5.454
27 HH21 ARG 29 HH21 ARG 29 25.063 -0.158 -5.861
28 HH22 ARG 29 HH22 ARG 29 26.321 0.717 -6.668
29 H CYS 30 HN CYS 30 22.736 -0.882 0.897
30 HA CYS 30 HA CYS 30 23.751 -3.640 0.831
31 HB2 CYS 30 HB2 CYS 30 21.173 -2.764 2.150
32 HB3 CYS 30 HB1 CYS 30 21.749 -4.421 2.008
33 HG CYS 30 HG CYS 30 22.489 -2.117 4.276
34 H LEU 31 HN LEU 31 22.851 -4.970 -0.691
35 HA LEU 31 HA LEU 31 21.415 -3.661 -2.829
36 HB2 LEU 31 HB2 LEU 31 22.597 -6.403 -2.481
37 HB3 LEU 31 HB1 LEU 31 21.593 -6.008 -3.862
38 HG LEU 31 HG LEU 31 23.201 -4.186 -4.440
39 HD11 LEU 31 HD11 LEU 31 24.845 -5.444 -2.250
40 HD12 LEU 31 HD12 LEU 31 24.189 -3.807 -2.265
41 HD13 LEU 31 HD13 LEU 31 25.438 -4.267 -3.422
42 HD21 LEU 31 HD21 LEU 31 24.909 -5.689 -5.336
43 HD22 LEU 31 HD22 LEU 31 23.289 -6.356 -5.544
44 HD23 LEU 31 HD23 LEU 31 24.341 -6.972 -4.268
45 H PHE 32 HN PHE 32 20.352 -4.745 -0.028
46 HA PHE 32 HA PHE 32 17.805 -5.671 -1.165
47 HB2 PHE 32 HB2 PHE 32 17.573 -7.202 0.806
48 HB3 PHE 32 HB1 PHE 32 18.853 -7.658 -0.313
49 HD1 PHE 32 HD1 PHE 32 18.092 -6.348 3.017
50 HD2 PHE 32 HD2 PHE 32 21.174 -7.526 0.327
51 HE1 PHE 32 HE1 PHE 32 19.703 -6.365 4.876
52 HE2 PHE 32 HE2 PHE 32 22.789 -7.545 2.182
53 HZ PHE 32 HZ PHE 32 22.056 -6.975 4.459
54 H LEU 33 HN LEU 33 18.876 -3.083 -0.100
55 HA LEU 33 HA LEU 33 17.330 -2.685 2.323
56 HB2 LEU 33 HB2 LEU 33 19.523 -1.663 2.186
57 HB3 LEU 33 HB1 LEU 33 19.065 -0.797 0.734
58 HG LEU 33 HG LEU 33 17.410 0.492 2.031
59 HD11 LEU 33 HD11 LEU 33 16.917 -1.134 3.766
60 HD12 LEU 33 HD12 LEU 33 17.455 0.386 4.481
61 HD13 LEU 33 HD13 LEU 33 18.558 -0.987 4.395
62 HD21 LEU 33 HD21 LEU 33 19.644 1.392 1.704
63 HD22 LEU 33 HD22 LEU 33 20.212 0.548 3.146
64 HD23 LEU 33 HD23 LEU 33 19.023 1.841 3.292
65 HA PRO 34 HA PRO 34 15.139 0.394 -0.878
66 HB2 PRO 34 HB2 PRO 34 15.399 -1.367 -3.263
67 HB3 PRO 34 HB1 PRO 34 15.424 0.396 -3.155
68 HG2 PRO 34 HG2 PRO 34 17.675 -0.958 -3.549
69 HG3 PRO 34 HG1 PRO 34 17.644 0.455 -2.478
70 HD2 PRO 34 HD2 PRO 34 17.690 -2.452 -1.778
71 HD3 PRO 34 HD1 PRO 34 18.520 -1.091 -0.998
72 H LEU 35 HN LEU 35 15.012 -2.940 -0.313
73 HA LEU 35 HA LEU 35 12.494 -3.590 -1.415
74 HB2 LEU 35 HB2 LEU 35 14.514 -4.929 -0.055
75 HB3 LEU 35 HB1 LEU 35 13.143 -5.024 1.030
76 HG LEU 35 HG LEU 35 13.239 -6.996 -0.380
77 HD11 LEU 35 HD11 LEU 35 10.992 -6.983 -1.240
78 HD12 LEU 35 HD12 LEU 35 10.969 -5.220 -1.249
79 HD13 LEU 35 HD13 LEU 35 11.038 -6.092 0.282
80 HD21 LEU 35 HD21 LEU 35 14.435 -5.985 -2.273
81 HD22 LEU 35 HD22 LEU 35 12.970 -5.109 -2.718
82 HD23 LEU 35 HD23 LEU 35 13.000 -6.871 -2.790
83 H PHE 36 HN PHE 36 13.204 -1.388 0.939
84 HA PHE 36 HA PHE 36 11.167 -1.905 2.851
85 HB2 PHE 36 HB2 PHE 36 11.685 0.238 3.767
86 HB3 PHE 36 HB1 PHE 36 13.203 -0.463 3.219
87 HD1 PHE 36 HD1 PHE 36 14.163 0.309 1.019
88 HD2 PHE 36 HD2 PHE 36 10.950 2.312 2.959
89 HE1 PHE 36 HE1 PHE 36 14.614 2.323 -0.321
90 HE2 PHE 36 HE2 PHE 36 11.394 4.330 1.623
91 HZ PHE 36 HZ PHE 36 13.219 4.344 -0.011
92 H SER 37 HN SER 37 11.294 -0.050 -0.135
93 HA SER 37 HA SER 37 8.827 1.298 0.197
94 HB2 SER 37 HB2 SER 37 10.190 0.574 -2.393
95 HB3 SER 37 HB1 SER 37 8.994 1.843 -2.155
96 HG SER 37 HG SER 37 11.401 2.348 -2.143
97 H PHE 38 HN PHE 38 9.651 -1.910 -0.756
98 HA PHE 38 HA PHE 38 7.240 -2.510 -2.155
99 HB2 PHE 38 HB2 PHE 38 9.380 -4.213 -0.930
100 HB3 PHE 38 HB1 PHE 38 7.981 -4.907 -1.737
101 HD1 PHE 38 HD1 PHE 38 10.922 -2.718 -2.234
102 HD2 PHE 38 HD2 PHE 38 7.908 -5.093 -4.072
103 HE1 PHE 38 HE1 PHE 38 12.076 -2.500 -4.397
104 HE2 PHE 38 HE2 PHE 38 9.057 -4.882 -6.238
105 HZ PHE 38 HZ PHE 38 11.144 -3.591 -6.403
106 H LEU 39 HN LEU 39 8.374 -3.031 1.158
107 HA LEU 39 HA LEU 39 6.033 -4.386 2.029
108 HB2 LEU 39 HB2 LEU 39 8.334 -3.050 3.411
109 HB3 LEU 39 HB1 LEU 39 6.938 -3.555 4.341
110 HG LEU 39 HG LEU 39 8.732 -5.212 4.435
111 HD11 LEU 39 HD11 LEU 39 6.428 -5.970 4.624
112 HD12 LEU 39 HD12 LEU 39 7.427 -7.178 3.816
113 HD13 LEU 39 HD13 LEU 39 6.336 -6.162 2.873
114 HD21 LEU 39 HD21 LEU 39 9.760 -4.779 2.267
115 HD22 LEU 39 HD22 LEU 39 8.344 -5.446 1.454
116 HD23 LEU 39 HD23 LEU 39 9.361 -6.487 2.450
117 H ILE 40 HN ILE 40 6.912 -1.083 1.600
118 HA ILE 40 HA ILE 40 4.736 -0.044 3.205
119 HB ILE 40 HB ILE 40 7.121 1.047 1.903
120 HG12 ILE 40 HG12 ILE 40 5.440 2.061 4.204
121 HG13 ILE 40 HG11 ILE 40 6.719 0.861 4.355
122 HG21 ILE 40 HG21 ILE 40 5.581 2.201 0.476
123 HG22 ILE 40 HG22 ILE 40 6.199 3.343 1.668
124 HG23 ILE 40 HG23 ILE 40 4.581 2.667 1.852
125 HD11 ILE 40 HD11 ILE 40 8.350 2.509 3.587
126 HD12 ILE 40 HD12 ILE 40 7.490 3.059 5.024
127 HD13 ILE 40 HD13 ILE 40 7.065 3.707 3.441
128 H VAL 41 HN VAL 41 5.418 -0.772 -0.134
129 HA VAL 41 HA VAL 41 3.167 0.706 -1.158
130 HB VAL 41 HB VAL 41 5.418 0.092 -2.354
131 HG11 VAL 41 HG11 VAL 41 5.149 -2.304 -2.151
132 HG12 VAL 41 HG12 VAL 41 5.194 -1.815 -3.845
133 HG13 VAL 41 HG13 VAL 41 3.657 -2.225 -3.083
134 HG21 VAL 41 HG21 VAL 41 2.747 0.070 -3.755
135 HG22 VAL 41 HG22 VAL 41 4.304 0.391 -4.519
136 HG23 VAL 41 HG23 VAL 41 3.675 1.501 -3.301
137 H ALA 42 HN ALA 42 3.879 -2.555 -0.201
138 HA ALA 42 HA ALA 42 1.684 -3.840 -1.425
139 HB1 ALA 42 HB1 ALA 42 2.118 -5.668 0.133
140 HB2 ALA 42 HB2 ALA 42 3.179 -4.621 1.075
141 HB3 ALA 42 HB3 ALA 42 3.617 -5.065 -0.574
142 H GLY 43 HN GLY 43 2.051 -2.124 1.617
143 HA2 GLY 43 HA2 GLY 43 -0.507 -2.940 2.648
144 HA3 GLY 43 HA1 GLY 43 0.544 -1.703 3.322
145 H ALA 44 HN ALA 44 0.653 -0.340 0.654
146 HA ALA 44 HA ALA 44 -1.581 1.394 1.080
147 HB1 ALA 44 HB1 ALA 44 -0.694 2.679 -0.788
148 HB2 ALA 44 HB2 ALA 44 0.417 1.367 -1.180
149 HB3 ALA 44 HB3 ALA 44 0.591 2.246 0.338
150 H THR 45 HN THR 45 -0.729 -1.046 -1.325
151 HA THR 45 HA THR 45 -2.989 -0.544 -3.001
152 HB THR 45 HB THR 45 -2.397 -2.713 -4.071
153 HG1 THR 45 HG1 THR 45 -1.540 -3.820 -2.294
154 HG21 THR 45 HG21 THR 45 -0.204 -1.990 -4.924
155 HG22 THR 45 HG22 THR 45 -0.097 -0.808 -3.620
156 HG23 THR 45 HG23 THR 45 -1.354 -0.655 -4.848
157 H THR 46 HN THR 46 -2.271 -2.754 -0.364
158 HA THR 46 HA THR 46 -4.595 -4.362 -0.636
159 HB THR 46 HB THR 46 -2.874 -3.869 1.804
160 HG1 THR 46 HG1 THR 46 -2.799 -5.805 -0.276
161 HG21 THR 46 HG21 THR 46 -3.804 -5.983 2.638
162 HG22 THR 46 HG22 THR 46 -4.872 -6.065 1.236
163 HG23 THR 46 HG23 THR 46 -5.063 -4.768 2.417
164 H LEU 47 HN LEU 47 -3.814 -1.500 1.285
165 HA LEU 47 HA LEU 47 -6.299 -1.452 2.681
166 HB2 LEU 47 HB2 LEU 47 -4.248 -0.417 3.561
167 HB3 LEU 47 HB1 LEU 47 -4.277 0.747 2.251
168 HG LEU 47 HG LEU 47 -6.473 1.576 3.123
169 HD11 LEU 47 HD11 LEU 47 -7.152 -0.417 4.344
170 HD12 LEU 47 HD12 LEU 47 -7.099 0.986 5.411
171 HD13 LEU 47 HD13 LEU 47 -5.801 -0.208 5.459
172 HD21 LEU 47 HD21 LEU 47 -5.493 2.803 5.006
173 HD22 LEU 47 HD22 LEU 47 -4.398 2.740 3.624
174 HD23 LEU 47 HD23 LEU 47 -4.126 1.690 5.013
175 H PHE 48 HN PHE 48 -5.110 -0.040 -0.303
176 HA PHE 48 HA PHE 48 -7.181 1.839 -0.682
177 HB2 PHE 48 HB2 PHE 48 -5.015 1.809 -1.937
178 HB3 PHE 48 HB1 PHE 48 -5.605 0.413 -2.833
179 HD1 PHE 48 HD1 PHE 48 -6.043 4.009 -2.240
180 HD2 PHE 48 HD2 PHE 48 -7.225 0.652 -4.573
181 HE1 PHE 48 HE1 PHE 48 -7.131 5.518 -3.852
182 HE2 PHE 48 HE2 PHE 48 -8.313 2.153 -6.190
183 HZ PHE 48 HZ PHE 48 -8.267 4.589 -5.831
184 H CYS 49 HN CYS 49 -6.736 -1.416 -2.058
185 HA CYS 49 HA CYS 49 -9.287 -1.508 -3.285
186 HB2 CYS 49 HB2 CYS 49 -7.461 -2.939 -4.041
187 HB3 CYS 49 HB1 CYS 49 -7.423 -3.752 -2.479
188 HG CYS 49 HG CYS 49 -8.781 -4.975 -4.946
189 H LEU 50 HN LEU 50 -8.190 -2.055 -0.074
190 HA LEU 50 HA LEU 50 -10.100 -3.821 0.914
191 HB2 LEU 50 HB2 LEU 50 -7.993 -2.568 1.990
192 HB3 LEU 50 HB1 LEU 50 -9.267 -1.561 2.645
193 HG LEU 50 HG LEU 50 -10.329 -3.636 3.574
194 HD11 LEU 50 HD11 LEU 50 -8.929 -5.633 3.775
195 HD12 LEU 50 HD12 LEU 50 -7.705 -4.877 2.755
196 HD13 LEU 50 HD13 LEU 50 -9.291 -5.263 2.089
197 HD21 LEU 50 HD21 LEU 50 -8.746 -3.832 5.436
198 HD22 LEU 50 HD22 LEU 50 -9.006 -2.152 4.970
199 HD23 LEU 50 HD23 LEU 50 -7.529 -2.982 4.484
200 H LEU 51 HN LEU 51 -10.190 -0.264 0.812
201 HA LEU 51 HA LEU 51 -12.680 0.097 2.007
202 HB2 LEU 51 HB2 LEU 51 -11.382 1.757 -0.157
203 HB3 LEU 51 HB1 LEU 51 -12.731 2.273 0.836
204 HG LEU 51 HG LEU 51 -9.974 1.610 1.876
205 HD11 LEU 51 HD11 LEU 51 -9.963 3.633 0.522
206 HD12 LEU 51 HD12 LEU 51 -9.755 4.018 2.230
207 HD13 LEU 51 HD13 LEU 51 -11.317 4.276 1.452
208 HD21 LEU 51 HD21 LEU 51 -10.785 2.612 3.961
209 HD22 LEU 51 HD22 LEU 51 -11.716 1.180 3.518
210 HD23 LEU 51 HD23 LEU 51 -12.389 2.789 3.248
211 H HIS 52 HN HIS 52 -11.837 -0.818 -1.253
212 HA HIS 52 HA HIS 52 -14.404 -0.353 -2.399
213 HB2 HIS 52 HB2 HIS 52 -12.397 -0.450 -3.787
214 HB3 HIS 52 HB1 HIS 52 -12.126 -2.123 -3.315
215 HD1 HIS 52 HD1 HIS 52 -13.581 -3.922 -4.440
216 HD2 HIS 52 HD2 HIS 52 -14.407 -0.053 -5.708
217 HE1 HIS 52 HE1 HIS 52 -15.020 -4.178 -6.486
218 HE2 HIS 52 HE2 HIS 52 -15.432 -1.826 -7.287
219 H PHE 53 HN PHE 53 -12.986 -2.934 -0.578
220 HA PHE 53 HA PHE 53 -14.687 -5.038 -1.370
221 HB2 PHE 53 HB2 PHE 53 -12.554 -5.327 -0.113
222 HB3 PHE 53 HB1 PHE 53 -13.341 -4.661 1.313
223 HD1 PHE 53 HD1 PHE 53 -13.498 -7.454 -1.119
224 HD2 PHE 53 HD2 PHE 53 -14.578 -6.030 2.744
225 HE1 PHE 53 HE1 PHE 53 -14.290 -9.702 -0.517
226 HE2 PHE 53 HE2 PHE 53 -15.372 -8.278 3.353
227 HZ PHE 53 HZ PHE 53 -15.229 -10.117 1.723
228 H GLY 54 HN GLY 54 -15.166 -2.321 0.716
229 HA2 GLY 54 HA2 GLY 54 -17.523 -1.724 1.098
230 HA3 GLY 54 HA1 GLY 54 -17.807 -3.419 1.465
231 H VAL 55 HN VAL 55 -14.945 -1.792 2.591
232 HA VAL 55 HA VAL 55 -15.348 -2.502 5.272
233 HB VAL 55 HB VAL 55 -13.564 -0.354 4.117
234 HG11 VAL 55 HG11 VAL 55 -12.275 -0.581 6.206
235 HG12 VAL 55 HG12 VAL 55 -13.529 -1.643 6.844
236 HG13 VAL 55 HG13 VAL 55 -13.901 0.042 6.484
237 HG21 VAL 55 HG21 VAL 55 -12.901 -3.176 4.940
238 HG22 VAL 55 HG22 VAL 55 -11.819 -2.006 4.184
239 HG23 VAL 55 HG23 VAL 55 -13.186 -2.658 3.280
240 H ILE 56 HN ILE 56 -16.431 0.225 3.445
241 HA ILE 56 HA ILE 56 -17.878 1.207 5.778
242 HB ILE 56 HB ILE 56 -17.317 3.582 5.147
243 HG12 ILE 56 HG12 ILE 56 -15.081 2.215 3.628
244 HG13 ILE 56 HG11 ILE 56 -16.399 3.138 2.913
245 HG21 ILE 56 HG21 ILE 56 -15.054 1.861 6.153
246 HG22 ILE 56 HG22 ILE 56 -16.394 2.476 7.121
247 HG23 ILE 56 HG23 ILE 56 -15.233 3.597 6.411
248 HD11 ILE 56 HD11 ILE 56 -14.370 4.447 2.970
249 HD12 ILE 56 HD12 ILE 56 -14.242 4.217 4.715
250 HD13 ILE 56 HD13 ILE 56 -15.579 5.152 4.044
251 H GLY 57 HN GLY 57 -19.843 0.727 5.008
252 HA2 GLY 57 HA2 GLY 57 -20.718 0.908 2.364
253 HA3 GLY 57 HA1 GLY 57 -21.767 0.952 3.775
254 HA PRO 58 HA PRO 58 -21.773 5.132 1.661
255 HB2 PRO 58 HB2 PRO 58 -24.325 5.202 0.820
256 HB3 PRO 58 HB1 PRO 58 -23.057 4.409 -0.123
257 HG2 PRO 58 HG2 PRO 58 -25.094 3.196 1.709
258 HG3 PRO 58 HG1 PRO 58 -24.570 2.652 0.104
259 HD2 PRO 58 HD2 PRO 58 -23.643 1.572 2.436
260 HD3 PRO 58 HD1 PRO 58 -22.700 1.610 0.933
261 H GLN 59 HN GLN 59 -21.804 4.765 4.371
262 HA GLN 59 HA GLN 59 -22.525 5.671 6.327
263 HB2 GLN 59 HB2 GLN 59 -23.950 7.568 4.452
264 HB3 GLN 59 HB1 GLN 59 -23.777 7.815 6.184
265 HG2 GLN 59 HG2 GLN 59 -21.340 7.393 4.530
266 HG3 GLN 59 HG1 GLN 59 -22.150 8.959 4.493
267 HE21 GLN 59 HE21 GLN 59 -22.128 6.929 7.329
268 HE22 GLN 59 HE22 GLN 59 -21.085 7.927 8.277
269 H ARG 60 HN ARG 60 -23.716 3.584 6.486
270 HA ARG 60 HA ARG 60 -26.620 3.897 6.267
271 HB2 ARG 60 HB2 ARG 60 -26.674 1.427 6.658
272 HB3 ARG 60 HB1 ARG 60 -25.828 1.912 5.196
273 HG2 ARG 60 HG2 ARG 60 -23.683 1.670 6.432
274 HG3 ARG 60 HG1 ARG 60 -24.598 1.025 7.797
275 HD2 ARG 60 HD2 ARG 60 -24.390 -0.138 5.025
276 HD3 ARG 60 HD1 ARG 60 -23.722 -0.807 6.512
277 HE ARG 60 HE ARG 60 -26.287 -0.785 7.132
278 HH11 ARG 60 HH11 ARG 60 -24.744 -1.726 4.153
279 HH12 ARG 60 HH12 ARG 60 -25.970 -2.874 3.730
280 HH21 ARG 60 HH21 ARG 60 -27.909 -2.295 6.579
281 HH22 ARG 60 HH22 ARG 60 -27.768 -3.194 5.107
Start of MODEL 11
1 H1 ARG 28 HT1 ARG 28 24.576 -8.763 1.633
2 H2 ARG 28 HT2 ARG 28 25.341 -10.223 2.012
3 H3 ARG 28 HT3 ARG 28 26.177 -8.761 2.179
4 HA ARG 28 HA ARG 28 23.796 -9.570 3.744
5 HB2 ARG 28 HB2 ARG 28 26.690 -9.337 4.600
6 HB3 ARG 28 HB1 ARG 28 25.337 -9.782 5.630
7 HG2 ARG 28 HG2 ARG 28 26.291 -11.367 3.255
8 HG3 ARG 28 HG1 ARG 28 26.694 -11.711 4.938
9 HD2 ARG 28 HD2 ARG 28 24.290 -11.993 5.423
10 HD3 ARG 28 HD1 ARG 28 23.936 -11.725 3.717
11 HE ARG 28 HE ARG 28 25.777 -13.795 3.848
12 HH11 ARG 28 HH11 ARG 28 22.506 -13.167 4.873
13 HH12 ARG 28 HH12 ARG 28 22.025 -14.829 4.787
14 HH21 ARG 28 HH21 ARG 28 25.152 -15.981 3.731
15 HH22 ARG 28 HH22 ARG 28 23.530 -16.429 4.141
16 H ARG 29 HN ARG 29 24.047 -7.150 2.254
17 HA ARG 29 HA ARG 29 24.147 -5.229 4.478
18 HB2 ARG 29 HB2 ARG 29 25.019 -3.537 2.839
19 HB3 ARG 29 HB1 ARG 29 26.150 -4.822 3.245
20 HG2 ARG 29 HG2 ARG 29 25.540 -5.975 1.152
21 HG3 ARG 29 HG1 ARG 29 24.495 -4.614 0.739
22 HD2 ARG 29 HD2 ARG 29 26.421 -3.118 0.769
23 HD3 ARG 29 HD1 ARG 29 27.469 -4.463 1.213
24 HE ARG 29 HE ARG 29 26.068 -5.027 -1.186
25 HH11 ARG 29 HH11 ARG 29 28.720 -3.156 0.081
26 HH12 ARG 29 HH12 ARG 29 29.582 -3.122 -1.420
27 HH21 ARG 29 HH21 ARG 29 27.197 -4.991 -3.166
28 HH22 ARG 29 HH22 ARG 29 28.715 -4.165 -3.267
29 H CYS 30 HN CYS 30 22.306 -4.168 4.735
30 HA CYS 30 HA CYS 30 20.364 -4.170 2.533
31 HB2 CYS 30 HB2 CYS 30 19.973 -3.744 5.503
32 HB3 CYS 30 HB1 CYS 30 18.687 -3.672 4.303
33 HG CYS 30 HG CYS 30 18.082 -6.121 4.813
34 H LEU 31 HN LEU 31 21.105 -2.400 1.369
35 HA LEU 31 HA LEU 31 20.927 0.197 2.750
36 HB2 LEU 31 HB2 LEU 31 23.168 -0.391 1.828
37 HB3 LEU 31 HB1 LEU 31 22.454 -0.449 0.228
38 HG LEU 31 HG LEU 31 21.854 1.953 0.448
39 HD11 LEU 31 HD11 LEU 31 22.891 3.268 2.231
40 HD12 LEU 31 HD12 LEU 31 23.485 1.785 2.979
41 HD13 LEU 31 HD13 LEU 31 21.751 2.088 2.876
42 HD21 LEU 31 HD21 LEU 31 23.881 1.304 -0.719
43 HD22 LEU 31 HD22 LEU 31 24.771 1.281 0.804
44 HD23 LEU 31 HD23 LEU 31 24.141 2.803 0.174
45 H PHE 32 HN PHE 32 18.819 0.707 2.436
46 HA PHE 32 HA PHE 32 16.952 1.458 1.393
47 HB2 PHE 32 HB2 PHE 32 18.523 2.977 0.255
48 HB3 PHE 32 HB1 PHE 32 18.775 1.770 -1.003
49 HD1 PHE 32 HD1 PHE 32 15.988 3.621 0.650
50 HD2 PHE 32 HD2 PHE 32 17.557 1.960 -2.940
51 HE1 PHE 32 HE1 PHE 32 14.084 4.544 -0.604
52 HE2 PHE 32 HE2 PHE 32 15.654 2.881 -4.201
53 HZ PHE 32 HZ PHE 32 13.916 4.175 -3.033
54 H LEU 33 HN LEU 33 18.315 0.108 -1.572
55 HA LEU 33 HA LEU 33 17.670 -1.591 -2.929
56 HB2 LEU 33 HB2 LEU 33 17.829 -2.707 -0.482
57 HB3 LEU 33 HB1 LEU 33 16.142 -3.012 -0.831
58 HG LEU 33 HG LEU 33 17.624 -4.908 -1.398
59 HD11 LEU 33 HD11 LEU 33 16.596 -3.922 -4.005
60 HD12 LEU 33 HD12 LEU 33 15.460 -4.170 -2.681
61 HD13 LEU 33 HD13 LEU 33 16.448 -5.512 -3.257
62 HD21 LEU 33 HD21 LEU 33 19.117 -4.764 -3.308
63 HD22 LEU 33 HD22 LEU 33 19.598 -3.617 -2.058
64 HD23 LEU 33 HD23 LEU 33 18.742 -3.050 -3.493
65 HA PRO 34 HA PRO 34 13.724 0.050 -4.229
66 HB2 PRO 34 HB2 PRO 34 13.351 -1.789 -6.270
67 HB3 PRO 34 HB1 PRO 34 14.264 -0.283 -6.412
68 HG2 PRO 34 HG2 PRO 34 15.255 -3.061 -5.926
69 HG3 PRO 34 HG1 PRO 34 15.940 -1.789 -6.956
70 HD2 PRO 34 HD2 PRO 34 16.997 -2.334 -4.559
71 HD3 PRO 34 HD1 PRO 34 16.875 -0.665 -5.148
72 H LEU 35 HN LEU 35 14.304 -3.303 -3.437
73 HA LEU 35 HA LEU 35 11.655 -4.249 -3.557
74 HB2 LEU 35 HB2 LEU 35 14.040 -5.407 -3.089
75 HB3 LEU 35 HB1 LEU 35 13.438 -5.325 -1.446
76 HG LEU 35 HG LEU 35 12.976 -7.495 -2.484
77 HD11 LEU 35 HD11 LEU 35 10.619 -7.646 -1.944
78 HD12 LEU 35 HD12 LEU 35 10.468 -5.892 -2.026
79 HD13 LEU 35 HD13 LEU 35 11.457 -6.633 -0.768
80 HD21 LEU 35 HD21 LEU 35 12.793 -6.744 -4.803
81 HD22 LEU 35 HD22 LEU 35 11.273 -5.935 -4.421
82 HD23 LEU 35 HD23 LEU 35 11.388 -7.692 -4.316
83 H PHE 36 HN PHE 36 13.360 -2.355 -1.200
84 HA PHE 36 HA PHE 36 11.752 -2.753 1.051
85 HB2 PHE 36 HB2 PHE 36 13.879 -1.605 1.208
86 HB3 PHE 36 HB1 PHE 36 13.301 -0.311 0.166
87 HD1 PHE 36 HD1 PHE 36 12.841 -1.897 3.475
88 HD2 PHE 36 HD2 PHE 36 12.155 1.534 1.053
89 HE1 PHE 36 HE1 PHE 36 12.079 -0.654 5.458
90 HE2 PHE 36 HE2 PHE 36 11.393 2.784 3.031
91 HZ PHE 36 HZ PHE 36 11.361 1.697 5.235
92 H SER 37 HN SER 37 11.213 -0.887 -1.837
93 HA SER 37 HA SER 37 9.096 0.715 -0.765
94 HB2 SER 37 HB2 SER 37 9.762 0.126 -3.645
95 HB3 SER 37 HB1 SER 37 8.721 1.421 -3.067
96 HG SER 37 HG SER 37 11.336 1.480 -3.405
97 H PHE 38 HN PHE 38 9.324 -2.465 -2.068
98 HA PHE 38 HA PHE 38 6.614 -2.718 -2.902
99 HB2 PHE 38 HB2 PHE 38 8.789 -4.692 -2.320
100 HB3 PHE 38 HB1 PHE 38 7.165 -5.218 -2.739
101 HD1 PHE 38 HD1 PHE 38 10.044 -3.220 -3.948
102 HD2 PHE 38 HD2 PHE 38 6.484 -5.313 -4.970
103 HE1 PHE 38 HE1 PHE 38 10.599 -2.992 -6.335
104 HE2 PHE 38 HE2 PHE 38 7.031 -5.089 -7.358
105 HZ PHE 38 HZ PHE 38 9.088 -3.912 -8.043
106 H LEU 39 HN LEU 39 8.336 -3.348 0.102
107 HA LEU 39 HA LEU 39 6.136 -4.639 1.389
108 HB2 LEU 39 HB2 LEU 39 8.680 -3.402 2.427
109 HB3 LEU 39 HB1 LEU 39 7.481 -4.111 3.491
110 HG LEU 39 HG LEU 39 7.769 -6.269 2.198
111 HD11 LEU 39 HD11 LEU 39 9.856 -6.532 0.947
112 HD12 LEU 39 HD12 LEU 39 10.181 -4.809 1.131
113 HD13 LEU 39 HD13 LEU 39 8.789 -5.348 0.192
114 HD21 LEU 39 HD21 LEU 39 8.745 -5.909 4.406
115 HD22 LEU 39 HD22 LEU 39 10.165 -5.170 3.665
116 HD23 LEU 39 HD23 LEU 39 9.813 -6.875 3.388
117 H ILE 40 HN ILE 40 7.158 -1.376 0.904
118 HA ILE 40 HA ILE 40 5.403 -0.277 2.925
119 HB ILE 40 HB ILE 40 7.573 0.710 1.251
120 HG12 ILE 40 HG12 ILE 40 6.313 1.787 3.780
121 HG13 ILE 40 HG11 ILE 40 7.572 0.558 3.724
122 HG21 ILE 40 HG21 ILE 40 5.871 1.935 0.070
123 HG22 ILE 40 HG22 ILE 40 6.769 3.044 1.105
124 HG23 ILE 40 HG23 ILE 40 5.165 2.491 1.589
125 HD11 ILE 40 HD11 ILE 40 7.825 3.404 2.781
126 HD12 ILE 40 HD12 ILE 40 9.086 2.176 2.684
127 HD13 ILE 40 HD13 ILE 40 8.506 2.722 4.258
128 H VAL 41 HN VAL 41 5.417 -0.840 -0.517
129 HA VAL 41 HA VAL 41 3.117 0.779 -1.069
130 HB VAL 41 HB VAL 41 5.045 0.018 -2.666
131 HG11 VAL 41 HG11 VAL 41 4.408 -1.853 -4.084
132 HG12 VAL 41 HG12 VAL 41 3.020 -2.162 -3.040
133 HG13 VAL 41 HG13 VAL 41 4.654 -2.354 -2.412
134 HG21 VAL 41 HG21 VAL 41 2.173 0.168 -3.576
135 HG22 VAL 41 HG22 VAL 41 3.596 0.448 -4.579
136 HG23 VAL 41 HG23 VAL 41 3.223 1.548 -3.251
137 H ALA 42 HN ALA 42 3.739 -2.529 -0.245
138 HA ALA 42 HA ALA 42 1.359 -3.730 -1.068
139 HB1 ALA 42 HB1 ALA 42 3.037 -4.407 1.345
140 HB2 ALA 42 HB2 ALA 42 3.300 -4.995 -0.295
141 HB3 ALA 42 HB3 ALA 42 1.845 -5.460 0.586
142 H GLY 43 HN GLY 43 2.067 -1.760 1.742
143 HA2 GLY 43 HA2 GLY 43 -0.325 -2.395 3.168
144 HA3 GLY 43 HA1 GLY 43 0.746 -1.038 3.487
145 H ALA 44 HN ALA 44 0.591 0.206 0.952
146 HA ALA 44 HA ALA 44 -1.820 1.684 1.291
147 HB1 ALA 44 HB1 ALA 44 0.255 2.725 0.515
148 HB2 ALA 44 HB2 ALA 44 -1.066 2.984 -0.624
149 HB3 ALA 44 HB3 ALA 44 0.174 1.778 -0.970
150 H THR 45 HN THR 45 -0.866 -0.984 -0.722
151 HA THR 45 HA THR 45 -3.062 -0.695 -2.568
152 HB THR 45 HB THR 45 -2.338 -2.953 -3.386
153 HG1 THR 45 HG1 THR 45 0.063 -3.036 -2.238
154 HG21 THR 45 HG21 THR 45 -1.459 -0.946 -4.424
155 HG22 THR 45 HG22 THR 45 -0.186 -2.163 -4.316
156 HG23 THR 45 HG23 THR 45 -0.216 -0.814 -3.181
157 H THR 46 HN THR 46 -2.331 -2.615 0.291
158 HA THR 46 HA THR 46 -4.561 -4.358 0.087
159 HB THR 46 HB THR 46 -2.992 -3.558 2.549
160 HG1 THR 46 HG1 THR 46 -2.360 -5.976 1.831
161 HG21 THR 46 HG21 THR 46 -3.840 -5.654 3.507
162 HG22 THR 46 HG22 THR 46 -4.819 -5.917 2.063
163 HG23 THR 46 HG23 THR 46 -5.156 -4.546 3.121
164 H LEU 47 HN LEU 47 -4.060 -1.210 1.558
165 HA LEU 47 HA LEU 47 -6.585 -1.186 2.926
166 HB2 LEU 47 HB2 LEU 47 -4.579 0.071 3.692
167 HB3 LEU 47 HB1 LEU 47 -4.734 1.112 2.291
168 HG LEU 47 HG LEU 47 -7.076 0.880 4.119
169 HD11 LEU 47 HD11 LEU 47 -6.166 2.640 5.559
170 HD12 LEU 47 HD12 LEU 47 -4.620 2.524 4.719
171 HD13 LEU 47 HD13 LEU 47 -5.216 1.158 5.662
172 HD21 LEU 47 HD21 LEU 47 -7.229 2.194 2.065
173 HD22 LEU 47 HD22 LEU 47 -5.848 3.163 2.575
174 HD23 LEU 47 HD23 LEU 47 -7.354 3.224 3.490
175 H PHE 48 HN PHE 48 -5.323 0.066 -0.112
176 HA PHE 48 HA PHE 48 -7.514 1.693 -0.801
177 HB2 PHE 48 HB2 PHE 48 -5.298 1.793 -1.910
178 HB3 PHE 48 HB1 PHE 48 -5.622 0.231 -2.655
179 HD1 PHE 48 HD1 PHE 48 -6.718 3.754 -2.515
180 HD2 PHE 48 HD2 PHE 48 -6.913 0.058 -4.614
181 HE1 PHE 48 HE1 PHE 48 -7.819 4.888 -4.401
182 HE2 PHE 48 HE2 PHE 48 -8.013 1.184 -6.505
183 HZ PHE 48 HZ PHE 48 -8.461 3.606 -6.401
184 H CYS 49 HN CYS 49 -6.730 -1.646 -1.763
185 HA CYS 49 HA CYS 49 -9.144 -2.044 -3.201
186 HB2 CYS 49 HB2 CYS 49 -7.146 -3.383 -3.644
187 HB3 CYS 49 HB1 CYS 49 -7.224 -4.064 -2.023
188 HG CYS 49 HG CYS 49 -10.063 -4.865 -2.961
189 H LEU 50 HN LEU 50 -8.312 -2.214 0.137
190 HA LEU 50 HA LEU 50 -10.213 -4.026 1.092
191 HB2 LEU 50 HB2 LEU 50 -8.269 -2.538 2.232
192 HB3 LEU 50 HB1 LEU 50 -9.678 -1.632 2.742
193 HG LEU 50 HG LEU 50 -10.609 -3.749 3.706
194 HD11 LEU 50 HD11 LEU 50 -9.060 -5.606 4.090
195 HD12 LEU 50 HD12 LEU 50 -7.846 -4.793 3.103
196 HD13 LEU 50 HD13 LEU 50 -9.352 -5.344 2.371
197 HD21 LEU 50 HD21 LEU 50 -7.932 -2.858 4.771
198 HD22 LEU 50 HD22 LEU 50 -9.177 -3.716 5.679
199 HD23 LEU 50 HD23 LEU 50 -9.482 -2.081 5.093
200 H LEU 51 HN LEU 51 -10.442 -0.464 1.078
201 HA LEU 51 HA LEU 51 -13.195 -0.422 1.734
202 HB2 LEU 51 HB2 LEU 51 -11.486 1.701 0.435
203 HB3 LEU 51 HB1 LEU 51 -13.084 1.964 1.107
204 HG LEU 51 HG LEU 51 -10.701 1.048 2.718
205 HD11 LEU 51 HD11 LEU 51 -11.909 3.797 2.441
206 HD12 LEU 51 HD12 LEU 51 -10.319 3.290 1.868
207 HD13 LEU 51 HD13 LEU 51 -10.660 3.337 3.598
208 HD21 LEU 51 HD21 LEU 51 -12.088 1.609 4.638
209 HD22 LEU 51 HD22 LEU 51 -12.877 0.390 3.636
210 HD23 LEU 51 HD23 LEU 51 -13.410 2.069 3.565
211 H HIS 52 HN HIS 52 -11.470 -0.708 -1.261
212 HA HIS 52 HA HIS 52 -13.665 0.049 -2.945
213 HB2 HIS 52 HB2 HIS 52 -11.297 0.252 -3.653
214 HB3 HIS 52 HB1 HIS 52 -11.163 -1.503 -3.642
215 HD1 HIS 52 HD1 HIS 52 -11.638 -2.622 -5.802
216 HD2 HIS 52 HD2 HIS 52 -13.332 1.167 -5.609
217 HE1 HIS 52 HE1 HIS 52 -12.628 -2.213 -8.077
218 HE2 HIS 52 HE2 HIS 52 -13.577 0.119 -7.961
219 H PHE 53 HN PHE 53 -12.751 -2.789 -1.274
220 HA PHE 53 HA PHE 53 -13.833 -4.777 -2.932
221 HB2 PHE 53 HB2 PHE 53 -12.378 -5.234 -0.983
222 HB3 PHE 53 HB1 PHE 53 -13.684 -4.746 0.092
223 HD1 PHE 53 HD1 PHE 53 -12.616 -7.280 -2.364
224 HD2 PHE 53 HD2 PHE 53 -15.448 -6.225 0.634
225 HE1 PHE 53 HE1 PHE 53 -13.472 -9.586 -2.365
226 HE2 PHE 53 HE2 PHE 53 -16.308 -8.529 0.639
227 HZ PHE 53 HZ PHE 53 -15.316 -10.216 -0.868
228 H GLY 54 HN GLY 54 -15.328 -2.424 -0.890
229 HA2 GLY 54 HA2 GLY 54 -17.673 -1.923 -1.424
230 HA3 GLY 54 HA1 GLY 54 -17.953 -3.658 -1.458
231 H VAL 55 HN VAL 55 -15.901 -2.265 0.970
232 HA VAL 55 HA VAL 55 -17.417 -3.357 3.089
233 HB VAL 55 HB VAL 55 -15.294 -1.216 3.251
234 HG11 VAL 55 HG11 VAL 55 -16.620 -1.430 5.292
235 HG12 VAL 55 HG12 VAL 55 -14.973 -2.009 5.538
236 HG13 VAL 55 HG13 VAL 55 -16.291 -3.162 5.329
237 HG21 VAL 55 HG21 VAL 55 -14.474 -3.183 2.066
238 HG22 VAL 55 HG22 VAL 55 -15.019 -4.218 3.385
239 HG23 VAL 55 HG23 VAL 55 -13.726 -3.050 3.658
240 H ILE 56 HN ILE 56 -17.396 -0.253 1.531
241 HA ILE 56 HA ILE 56 -19.522 0.635 3.361
242 HB ILE 56 HB ILE 56 -18.778 2.982 2.881
243 HG12 ILE 56 HG12 ILE 56 -16.263 1.610 1.907
244 HG13 ILE 56 HG11 ILE 56 -17.434 2.406 0.862
245 HG21 ILE 56 HG21 ILE 56 -16.964 2.938 4.525
246 HG22 ILE 56 HG22 ILE 56 -16.822 1.193 4.318
247 HG23 ILE 56 HG23 ILE 56 -18.295 1.884 4.999
248 HD11 ILE 56 HD11 ILE 56 -16.972 4.532 1.971
249 HD12 ILE 56 HD12 ILE 56 -15.514 3.827 1.273
250 HD13 ILE 56 HD13 ILE 56 -15.795 3.731 3.011
251 H GLY 57 HN GLY 57 -18.480 0.152 0.158
252 HA2 GLY 57 HA2 GLY 57 -19.696 0.169 -1.808
253 HA3 GLY 57 HA1 GLY 57 -21.098 0.677 -0.879
254 HA PRO 58 HA PRO 58 -19.819 4.347 -3.354
255 HB2 PRO 58 HB2 PRO 58 -22.215 4.955 -4.377
256 HB3 PRO 58 HB1 PRO 58 -21.232 3.653 -5.058
257 HG2 PRO 58 HG2 PRO 58 -23.568 3.485 -3.195
258 HG3 PRO 58 HG1 PRO 58 -23.193 2.486 -4.610
259 HD2 PRO 58 HD2 PRO 58 -22.672 1.743 -2.016
260 HD3 PRO 58 HD1 PRO 58 -21.783 1.130 -3.423
261 H GLN 59 HN GLN 59 -21.212 3.854 -0.514
262 HA GLN 59 HA GLN 59 -22.146 6.629 -0.194
263 HB2 GLN 59 HB2 GLN 59 -22.830 4.201 1.470
264 HB3 GLN 59 HB1 GLN 59 -23.433 5.830 1.740
265 HG2 GLN 59 HG2 GLN 59 -24.563 5.775 -0.419
266 HG3 GLN 59 HG1 GLN 59 -23.951 4.146 -0.700
267 HE21 GLN 59 HE21 GLN 59 -26.175 6.103 1.112
268 HE22 GLN 59 HE22 GLN 59 -27.138 4.805 1.723
269 H ARG 60 HN ARG 60 -20.726 7.902 0.785
270 HA ARG 60 HA ARG 60 -18.696 6.732 2.529
271 HB2 ARG 60 HB2 ARG 60 -18.991 9.497 1.347
272 HB3 ARG 60 HB1 ARG 60 -17.696 9.035 2.442
273 HG2 ARG 60 HG2 ARG 60 -16.984 7.314 0.825
274 HG3 ARG 60 HG1 ARG 60 -18.238 7.875 -0.283
275 HD2 ARG 60 HD2 ARG 60 -17.204 10.054 -0.410
276 HD3 ARG 60 HD1 ARG 60 -16.011 9.594 0.803
277 HE ARG 60 HE ARG 60 -15.956 7.853 -1.451
278 HH11 ARG 60 HH11 ARG 60 -14.935 10.983 -0.312
279 HH12 ARG 60 HH12 ARG 60 -13.576 11.072 -1.382
280 HH21 ARG 60 HH21 ARG 60 -14.165 7.961 -2.860
281 HH22 ARG 60 HH22 ARG 60 -13.138 9.354 -2.827
Start of MODEL 12
1 H1 ARG 28 HT1 ARG 28 10.213 9.897 7.659
2 H2 ARG 28 HT2 ARG 28 11.655 9.350 6.964
3 H3 ARG 28 HT3 ARG 28 10.759 10.567 6.204
4 HA ARG 28 HA ARG 28 11.179 12.082 8.002
5 HB2 ARG 28 HB2 ARG 28 12.879 9.857 9.146
6 HB3 ARG 28 HB1 ARG 28 12.682 11.467 9.823
7 HG2 ARG 28 HG2 ARG 28 10.276 10.989 10.149
8 HG3 ARG 28 HG1 ARG 28 10.561 9.344 9.579
9 HD2 ARG 28 HD2 ARG 28 12.172 9.011 11.410
10 HD3 ARG 28 HD1 ARG 28 11.829 10.641 11.991
11 HE ARG 28 HE ARG 28 9.531 8.896 11.763
12 HH11 ARG 28 HH11 ARG 28 12.053 10.151 13.818
13 HH12 ARG 28 HH12 ARG 28 11.218 9.773 15.288
14 HH21 ARG 28 HH21 ARG 28 8.429 8.397 13.695
15 HH22 ARG 28 HH22 ARG 28 9.161 8.776 15.217
16 H ARG 29 HN ARG 29 13.437 9.730 6.633
17 HA ARG 29 HA ARG 29 14.982 11.947 5.506
18 HB2 ARG 29 HB2 ARG 29 17.100 10.747 6.084
19 HB3 ARG 29 HB1 ARG 29 16.233 11.380 7.476
20 HG2 ARG 29 HG2 ARG 29 15.300 9.133 7.879
21 HG3 ARG 29 HG1 ARG 29 16.261 8.522 6.532
22 HD2 ARG 29 HD2 ARG 29 17.349 9.826 9.026
23 HD3 ARG 29 HD1 ARG 29 17.338 8.094 8.693
24 HE ARG 29 HE ARG 29 18.644 9.388 6.585
25 HH11 ARG 29 HH11 ARG 29 19.094 8.741 9.981
26 HH12 ARG 29 HH12 ARG 29 20.823 8.748 9.883
27 HH21 ARG 29 HH21 ARG 29 20.918 9.396 6.450
28 HH22 ARG 29 HH22 ARG 29 21.860 9.122 7.878
29 H CYS 30 HN CYS 30 16.381 11.274 3.718
30 HA CYS 30 HA CYS 30 15.131 9.097 2.216
31 HB2 CYS 30 HB2 CYS 30 15.230 11.282 1.120
32 HB3 CYS 30 HB1 CYS 30 16.981 11.308 1.299
33 HG CYS 30 HG CYS 30 16.214 8.545 -0.244
34 H LEU 31 HN LEU 31 16.127 7.296 3.100
35 HA LEU 31 HA LEU 31 18.822 6.806 2.130
36 HB2 LEU 31 HB2 LEU 31 19.117 7.714 4.418
37 HB3 LEU 31 HB1 LEU 31 18.103 6.426 5.040
38 HG LEU 31 HG LEU 31 19.782 4.778 4.183
39 HD11 LEU 31 HD11 LEU 31 21.443 7.254 3.731
40 HD12 LEU 31 HD12 LEU 31 20.807 6.190 2.476
41 HD13 LEU 31 HD13 LEU 31 22.011 5.589 3.616
42 HD21 LEU 31 HD21 LEU 31 21.403 5.191 5.974
43 HD22 LEU 31 HD22 LEU 31 19.745 5.434 6.523
44 HD23 LEU 31 HD23 LEU 31 20.769 6.826 6.166
45 H PHE 32 HN PHE 32 18.587 4.999 0.991
46 HA PHE 32 HA PHE 32 17.932 2.926 0.320
47 HB2 PHE 32 HB2 PHE 32 18.861 2.639 2.868
48 HB3 PHE 32 HB1 PHE 32 17.238 1.975 3.027
49 HD1 PHE 32 HD1 PHE 32 16.714 -0.162 2.193
50 HD2 PHE 32 HD2 PHE 32 20.417 1.668 1.168
51 HE1 PHE 32 HE1 PHE 32 17.496 -2.290 1.234
52 HE2 PHE 32 HE2 PHE 32 21.205 -0.456 0.206
53 HZ PHE 32 HZ PHE 32 19.744 -2.437 0.239
54 H LEU 33 HN LEU 33 15.977 4.992 0.457
55 HA LEU 33 HA LEU 33 13.536 4.196 1.571
56 HB2 LEU 33 HB2 LEU 33 13.954 6.470 0.853
57 HB3 LEU 33 HB1 LEU 33 14.098 5.949 -0.814
58 HG LEU 33 HG LEU 33 11.704 5.250 -0.753
59 HD11 LEU 33 HD11 LEU 33 11.492 4.920 1.653
60 HD12 LEU 33 HD12 LEU 33 10.292 6.070 1.061
61 HD13 LEU 33 HD13 LEU 33 11.722 6.648 1.919
62 HD21 LEU 33 HD21 LEU 33 10.806 7.515 -0.887
63 HD22 LEU 33 HD22 LEU 33 12.379 7.408 -1.680
64 HD23 LEU 33 HD23 LEU 33 12.244 8.141 -0.081
65 HA PRO 34 HA PRO 34 12.624 2.525 -3.071
66 HB2 PRO 34 HB2 PRO 34 14.903 0.933 -3.634
67 HB3 PRO 34 HB1 PRO 34 14.354 2.367 -4.505
68 HG2 PRO 34 HG2 PRO 34 16.438 2.105 -2.408
69 HG3 PRO 34 HG1 PRO 34 16.340 3.240 -3.766
70 HD2 PRO 34 HD2 PRO 34 15.862 4.032 -1.262
71 HD3 PRO 34 HD1 PRO 34 14.918 4.677 -2.620
72 H LEU 35 HN LEU 35 14.283 1.124 -0.346
73 HA LEU 35 HA LEU 35 13.205 -1.525 -0.860
74 HB2 LEU 35 HB2 LEU 35 15.508 -0.933 0.199
75 HB3 LEU 35 HB1 LEU 35 14.583 -0.701 1.669
76 HG LEU 35 HG LEU 35 15.622 -2.928 1.556
77 HD11 LEU 35 HD11 LEU 35 13.547 -2.595 2.820
78 HD12 LEU 35 HD12 LEU 35 13.660 -4.222 2.149
79 HD13 LEU 35 HD13 LEU 35 12.614 -3.023 1.387
80 HD21 LEU 35 HD21 LEU 35 15.566 -3.223 -0.868
81 HD22 LEU 35 HD22 LEU 35 13.808 -3.356 -0.815
82 HD23 LEU 35 HD23 LEU 35 14.809 -4.583 -0.038
83 H PHE 36 HN PHE 36 13.060 0.757 1.890
84 HA PHE 36 HA PHE 36 10.999 -0.485 3.269
85 HB2 PHE 36 HB2 PHE 36 11.831 2.409 3.126
86 HB3 PHE 36 HB1 PHE 36 10.545 1.855 4.192
87 HD1 PHE 36 HD1 PHE 36 14.143 1.697 3.489
88 HD2 PHE 36 HD2 PHE 36 11.028 0.622 6.181
89 HE1 PHE 36 HE1 PHE 36 15.821 1.100 5.186
90 HE2 PHE 36 HE2 PHE 36 12.700 0.022 7.883
91 HZ PHE 36 HZ PHE 36 15.093 0.257 7.393
92 H SER 37 HN SER 37 10.903 1.481 0.430
93 HA SER 37 HA SER 37 8.187 2.254 0.522
94 HB2 SER 37 HB2 SER 37 8.460 2.796 -1.839
95 HB3 SER 37 HB1 SER 37 9.883 3.317 -0.938
96 HG SER 37 HG SER 37 10.300 2.160 -2.949
97 H PHE 38 HN PHE 38 9.835 -0.627 -0.570
98 HA PHE 38 HA PHE 38 7.840 -1.786 -2.126
99 HB2 PHE 38 HB2 PHE 38 10.070 -2.902 -0.477
100 HB3 PHE 38 HB1 PHE 38 8.920 -3.992 -1.241
101 HD1 PHE 38 HD1 PHE 38 8.427 -2.852 -3.817
102 HD2 PHE 38 HD2 PHE 38 12.066 -2.991 -1.614
103 HE1 PHE 38 HE1 PHE 38 9.700 -2.714 -5.918
104 HE2 PHE 38 HE2 PHE 38 13.345 -2.854 -3.712
105 HZ PHE 38 HZ PHE 38 12.176 -2.721 -5.859
106 H LEU 39 HN LEU 39 8.344 -1.869 1.367
107 HA LEU 39 HA LEU 39 6.111 -3.604 1.850
108 HB2 LEU 39 HB2 LEU 39 7.952 -1.997 3.591
109 HB3 LEU 39 HB1 LEU 39 6.507 -2.723 4.268
110 HG LEU 39 HG LEU 39 7.322 -4.951 3.495
111 HD11 LEU 39 HD11 LEU 39 8.775 -4.223 1.690
112 HD12 LEU 39 HD12 LEU 39 9.679 -5.174 2.868
113 HD13 LEU 39 HD13 LEU 39 9.835 -3.417 2.846
114 HD21 LEU 39 HD21 LEU 39 9.158 -3.418 5.331
115 HD22 LEU 39 HD22 LEU 39 9.039 -5.174 5.230
116 HD23 LEU 39 HD23 LEU 39 7.660 -4.227 5.791
117 H ILE 40 HN ILE 40 6.626 -0.193 1.562
118 HA ILE 40 HA ILE 40 4.230 0.638 2.879
119 HB ILE 40 HB ILE 40 6.039 2.076 0.932
120 HG12 ILE 40 HG12 ILE 40 5.691 2.402 3.920
121 HG13 ILE 40 HG11 ILE 40 6.981 1.472 3.166
122 HG21 ILE 40 HG21 ILE 40 3.828 3.041 0.772
123 HG22 ILE 40 HG22 ILE 40 4.889 4.139 1.655
124 HG23 ILE 40 HG23 ILE 40 3.718 3.152 2.529
125 HD11 ILE 40 HD11 ILE 40 7.830 3.484 2.105
126 HD12 ILE 40 HD12 ILE 40 7.733 3.683 3.854
127 HD13 ILE 40 HD13 ILE 40 6.517 4.424 2.814
128 H VAL 41 HN VAL 41 5.095 -0.283 -0.381
129 HA VAL 41 HA VAL 41 2.609 0.623 -1.536
130 HB VAL 41 HB VAL 41 4.803 -1.111 -2.687
131 HG11 VAL 41 HG11 VAL 41 2.424 0.158 -4.043
132 HG12 VAL 41 HG12 VAL 41 2.695 -1.568 -3.802
133 HG13 VAL 41 HG13 VAL 41 3.759 -0.648 -4.866
134 HG21 VAL 41 HG21 VAL 41 5.453 1.216 -2.149
135 HG22 VAL 41 HG22 VAL 41 4.158 1.790 -3.200
136 HG23 VAL 41 HG23 VAL 41 5.500 0.867 -3.877
137 H ALA 42 HN ALA 42 4.122 -2.531 -0.881
138 HA ALA 42 HA ALA 42 2.048 -4.170 -1.731
139 HB1 ALA 42 HB1 ALA 42 3.955 -4.675 0.551
140 HB2 ALA 42 HB2 ALA 42 4.289 -4.982 -1.153
141 HB3 ALA 42 HB3 ALA 42 3.029 -5.895 -0.323
142 H GLY 43 HN GLY 43 2.464 -2.437 1.296
143 HA2 GLY 43 HA2 GLY 43 0.197 -3.725 2.549
144 HA3 GLY 43 HA1 GLY 43 1.153 -2.409 3.216
145 H ALA 44 HN ALA 44 0.835 -0.745 0.822
146 HA ALA 44 HA ALA 44 -1.592 0.553 1.578
147 HB1 ALA 44 HB1 ALA 44 0.381 1.808 0.855
148 HB2 ALA 44 HB2 ALA 44 -1.027 2.186 -0.138
149 HB3 ALA 44 HB3 ALA 44 0.228 1.115 -0.761
150 H THR 45 HN THR 45 -0.747 -1.789 -0.817
151 HA THR 45 HA THR 45 -2.882 -1.265 -2.629
152 HB THR 45 HB THR 45 -2.420 -3.607 -3.451
153 HG1 THR 45 HG1 THR 45 -1.269 -3.856 -1.114
154 HG21 THR 45 HG21 THR 45 -1.326 -1.705 -4.478
155 HG22 THR 45 HG22 THR 45 -0.185 -3.045 -4.354
156 HG23 THR 45 HG23 THR 45 -0.092 -1.698 -3.219
157 H THR 46 HN THR 46 -2.508 -3.282 0.222
158 HA THR 46 HA THR 46 -4.946 -4.721 -0.092
159 HB THR 46 HB THR 46 -3.379 -4.202 2.444
160 HG1 THR 46 HG1 THR 46 -3.244 -6.321 0.541
161 HG21 THR 46 HG21 THR 46 -4.484 -6.236 3.267
162 HG22 THR 46 HG22 THR 46 -5.418 -6.327 1.773
163 HG23 THR 46 HG23 THR 46 -5.656 -4.974 2.880
164 H LEU 47 HN LEU 47 -4.021 -1.747 1.547
165 HA LEU 47 HA LEU 47 -6.508 -1.370 2.884
166 HB2 LEU 47 HB2 LEU 47 -4.428 -0.332 3.659
167 HB3 LEU 47 HB1 LEU 47 -4.343 0.615 2.187
168 HG LEU 47 HG LEU 47 -6.521 1.686 2.857
169 HD11 LEU 47 HD11 LEU 47 -7.190 1.535 5.194
170 HD12 LEU 47 HD12 LEU 47 -5.931 0.335 5.486
171 HD13 LEU 47 HD13 LEU 47 -7.276 -0.042 4.410
172 HD21 LEU 47 HD21 LEU 47 -4.172 2.022 4.717
173 HD22 LEU 47 HD22 LEU 47 -5.481 3.182 4.489
174 HD23 LEU 47 HD23 LEU 47 -4.387 2.814 3.156
175 H PHE 48 HN PHE 48 -5.100 -0.070 -0.103
176 HA PHE 48 HA PHE 48 -7.176 1.681 -0.771
177 HB2 PHE 48 HB2 PHE 48 -4.926 1.614 -1.859
178 HB3 PHE 48 HB1 PHE 48 -5.421 0.148 -2.701
179 HD1 PHE 48 HD1 PHE 48 -5.976 3.767 -2.392
180 HD2 PHE 48 HD2 PHE 48 -6.885 0.231 -4.578
181 HE1 PHE 48 HE1 PHE 48 -6.951 5.134 -4.189
182 HE2 PHE 48 HE2 PHE 48 -7.862 1.592 -6.381
183 HZ PHE 48 HZ PHE 48 -7.896 4.050 -6.185
184 H CYS 49 HN CYS 49 -6.696 -1.739 -1.568
185 HA CYS 49 HA CYS 49 -9.075 -1.932 -3.140
186 HB2 CYS 49 HB2 CYS 49 -7.188 -3.455 -3.495
187 HB3 CYS 49 HB1 CYS 49 -7.386 -4.097 -1.867
188 HG CYS 49 HG CYS 49 -10.017 -5.079 -2.465
189 H LEU 50 HN LEU 50 -8.345 -2.131 0.225
190 HA LEU 50 HA LEU 50 -10.487 -3.714 1.119
191 HB2 LEU 50 HB2 LEU 50 -8.373 -2.566 2.322
192 HB3 LEU 50 HB1 LEU 50 -9.619 -1.433 2.801
193 HG LEU 50 HG LEU 50 -10.919 -3.398 3.707
194 HD11 LEU 50 HD11 LEU 50 -9.817 -5.161 2.446
195 HD12 LEU 50 HD12 LEU 50 -9.653 -5.441 4.179
196 HD13 LEU 50 HD13 LEU 50 -8.290 -4.806 3.256
197 HD21 LEU 50 HD21 LEU 50 -8.207 -2.827 4.897
198 HD22 LEU 50 HD22 LEU 50 -9.571 -3.550 5.748
199 HD23 LEU 50 HD23 LEU 50 -9.679 -1.891 5.160
200 H LEU 51 HN LEU 51 -10.192 -0.158 1.023
201 HA LEU 51 HA LEU 51 -12.833 0.406 1.747
202 HB2 LEU 51 HB2 LEU 51 -10.727 1.931 0.259
203 HB3 LEU 51 HB1 LEU 51 -12.317 2.603 0.522
204 HG LEU 51 HG LEU 51 -10.692 3.383 2.159
205 HD11 LEU 51 HD11 LEU 51 -12.840 1.638 3.336
206 HD12 LEU 51 HD12 LEU 51 -13.049 3.292 2.760
207 HD13 LEU 51 HD13 LEU 51 -12.024 2.968 4.158
208 HD21 LEU 51 HD21 LEU 51 -10.578 0.520 3.034
209 HD22 LEU 51 HD22 LEU 51 -9.816 1.884 3.851
210 HD23 LEU 51 HD23 LEU 51 -9.285 1.411 2.237
211 H HIS 52 HN HIS 52 -11.426 -0.534 -1.271
212 HA HIS 52 HA HIS 52 -13.327 0.435 -3.072
213 HB2 HIS 52 HB2 HIS 52 -11.105 -0.607 -3.639
214 HB3 HIS 52 HB1 HIS 52 -11.836 -2.179 -3.336
215 HD1 HIS 52 HD1 HIS 52 -11.699 0.580 -5.820
216 HD2 HIS 52 HD2 HIS 52 -13.715 -3.013 -5.281
217 HE1 HIS 52 HE1 HIS 52 -12.761 0.067 -8.040
218 HE2 HIS 52 HE2 HIS 52 -13.910 -2.152 -7.714
219 H PHE 53 HN PHE 53 -13.507 -2.173 -0.804
220 HA PHE 53 HA PHE 53 -15.471 -3.770 -1.986
221 HB2 PHE 53 HB2 PHE 53 -14.577 -3.282 0.817
222 HB3 PHE 53 HB1 PHE 53 -16.091 -4.143 0.569
223 HD1 PHE 53 HD1 PHE 53 -12.495 -4.340 0.481
224 HD2 PHE 53 HD2 PHE 53 -16.090 -6.270 -0.727
225 HE1 PHE 53 HE1 PHE 53 -11.247 -6.429 0.117
226 HE2 PHE 53 HE2 PHE 53 -14.849 -8.362 -1.093
227 HZ PHE 53 HZ PHE 53 -12.424 -8.444 -0.670
228 H GLY 54 HN GLY 54 -15.689 -0.613 -0.666
229 HA2 GLY 54 HA2 GLY 54 -17.689 0.646 -1.343
230 HA3 GLY 54 HA1 GLY 54 -18.634 -0.757 -0.867
231 H VAL 55 HN VAL 55 -15.994 0.002 1.167
232 HA VAL 55 HA VAL 55 -17.608 0.385 3.436
233 HB VAL 55 HB VAL 55 -14.731 1.244 3.104
234 HG11 VAL 55 HG11 VAL 55 -15.783 2.131 5.108
235 HG12 VAL 55 HG12 VAL 55 -14.602 0.890 5.527
236 HG13 VAL 55 HG13 VAL 55 -16.325 0.514 5.559
237 HG21 VAL 55 HG21 VAL 55 -14.984 -1.077 2.435
238 HG22 VAL 55 HG22 VAL 55 -15.858 -1.432 3.925
239 HG23 VAL 55 HG23 VAL 55 -14.155 -0.977 3.989
240 H ILE 56 HN ILE 56 -16.312 2.599 1.098
241 HA ILE 56 HA ILE 56 -17.480 4.839 2.605
242 HB ILE 56 HB ILE 56 -15.842 6.295 1.366
243 HG12 ILE 56 HG12 ILE 56 -14.583 3.614 0.721
244 HG13 ILE 56 HG11 ILE 56 -15.283 4.726 -0.450
245 HG21 ILE 56 HG21 ILE 56 -14.004 5.810 2.875
246 HG22 ILE 56 HG22 ILE 56 -14.666 4.206 3.190
247 HG23 ILE 56 HG23 ILE 56 -15.549 5.642 3.706
248 HD11 ILE 56 HD11 ILE 56 -12.899 4.910 -0.513
249 HD12 ILE 56 HD12 ILE 56 -12.829 5.176 1.229
250 HD13 ILE 56 HD13 ILE 56 -13.562 6.389 0.182
251 H GLY 57 HN GLY 57 -16.570 6.145 -0.231
252 HA2 GLY 57 HA2 GLY 57 -18.519 5.139 -2.035
253 HA3 GLY 57 HA1 GLY 57 -19.111 6.575 -1.217
254 HA PRO 58 HA PRO 58 -16.899 8.963 -4.189
255 HB2 PRO 58 HB2 PRO 58 -16.604 11.309 -2.931
256 HB3 PRO 58 HB1 PRO 58 -18.202 10.696 -3.376
257 HG2 PRO 58 HG2 PRO 58 -16.831 10.661 -0.718
258 HG3 PRO 58 HG1 PRO 58 -18.529 10.996 -1.099
259 HD2 PRO 58 HD2 PRO 58 -17.578 8.568 -0.189
260 HD3 PRO 58 HD1 PRO 58 -19.081 8.780 -1.105
261 H GLN 59 HN GLN 59 -15.395 8.060 -1.282
262 HA GLN 59 HA GLN 59 -13.231 7.875 -0.619
263 HB2 GLN 59 HB2 GLN 59 -12.932 6.804 -2.801
264 HB3 GLN 59 HB1 GLN 59 -12.657 8.373 -3.546
265 HG2 GLN 59 HG2 GLN 59 -10.564 7.221 -3.206
266 HG3 GLN 59 HG1 GLN 59 -10.641 8.660 -2.192
267 HE21 GLN 59 HE21 GLN 59 -10.824 8.435 0.035
268 HE22 GLN 59 HE22 GLN 59 -10.498 6.940 0.839
269 H ARG 60 HN ARG 60 -12.517 10.203 -3.187
270 HA ARG 60 HA ARG 60 -12.061 12.260 -1.142
271 HB2 ARG 60 HB2 ARG 60 -10.006 12.932 -2.500
272 HB3 ARG 60 HB1 ARG 60 -9.871 11.483 -1.513
273 HG2 ARG 60 HG2 ARG 60 -10.280 10.107 -3.508
274 HG3 ARG 60 HG1 ARG 60 -10.353 11.575 -4.485
275 HD2 ARG 60 HD2 ARG 60 -8.048 12.113 -3.800
276 HD3 ARG 60 HD1 ARG 60 -7.984 10.603 -2.889
277 HE ARG 60 HE ARG 60 -8.606 10.384 -5.720
278 HH11 ARG 60 HH11 ARG 60 -6.199 10.201 -3.206
279 HH12 ARG 60 HH12 ARG 60 -5.097 9.260 -4.154
280 HH21 ARG 60 HH21 ARG 60 -7.163 9.145 -6.972
281 HH22 ARG 60 HH22 ARG 60 -5.644 8.660 -6.294
Start of MODEL 13
1 H1 ARG 28 HT1 ARG 28 16.330 -4.898 13.798
2 H2 ARG 28 HT2 ARG 28 14.946 -4.629 12.866
3 H3 ARG 28 HT3 ARG 28 15.782 -3.319 13.534
4 HA ARG 28 HA ARG 28 17.700 -3.797 12.166
5 HB2 ARG 28 HB2 ARG 28 15.916 -5.963 11.037
6 HB3 ARG 28 HB1 ARG 28 17.446 -5.461 10.333
7 HG2 ARG 28 HG2 ARG 28 18.605 -6.152 12.378
8 HG3 ARG 28 HG1 ARG 28 17.066 -6.677 13.062
9 HD2 ARG 28 HD2 ARG 28 16.808 -8.302 11.264
10 HD3 ARG 28 HD1 ARG 28 18.319 -7.756 10.538
11 HE ARG 28 HE ARG 28 18.908 -8.508 13.139
12 HH11 ARG 28 HH11 ARG 28 17.693 -10.006 10.235
13 HH12 ARG 28 HH12 ARG 28 18.358 -11.561 10.607
14 HH21 ARG 28 HH21 ARG 28 19.782 -10.555 13.636
15 HH22 ARG 28 HH22 ARG 28 19.544 -11.873 12.538
16 H ARG 29 HN ARG 29 17.669 -1.978 11.046
17 HA ARG 29 HA ARG 29 15.293 -1.329 9.444
18 HB2 ARG 29 HB2 ARG 29 16.009 0.298 11.195
19 HB3 ARG 29 HB1 ARG 29 17.528 0.502 10.334
20 HG2 ARG 29 HG2 ARG 29 16.079 2.326 9.794
21 HG3 ARG 29 HG1 ARG 29 16.254 1.303 8.367
22 HD2 ARG 29 HD2 ARG 29 14.102 0.292 8.772
23 HD3 ARG 29 HD1 ARG 29 13.941 1.165 10.297
24 HE ARG 29 HE ARG 29 14.258 2.830 7.954
25 HH11 ARG 29 HH11 ARG 29 12.036 1.246 10.119
26 HH12 ARG 29 HH12 ARG 29 10.714 2.296 9.737
27 HH21 ARG 29 HH21 ARG 29 12.523 4.220 7.448
28 HH22 ARG 29 HH22 ARG 29 10.990 3.988 8.220
29 H CYS 30 HN CYS 30 15.415 -1.055 7.278
30 HA CYS 30 HA CYS 30 17.970 -1.719 6.011
31 HB2 CYS 30 HB2 CYS 30 15.167 -1.654 4.876
32 HB3 CYS 30 HB1 CYS 30 16.608 -2.120 3.980
33 HG CYS 30 HG CYS 30 17.092 -4.431 5.367
34 H LEU 31 HN LEU 31 19.032 0.252 6.107
35 HA LEU 31 HA LEU 31 17.808 2.662 5.125
36 HB2 LEU 31 HB2 LEU 31 20.717 2.112 5.719
37 HB3 LEU 31 HB1 LEU 31 19.979 3.688 5.506
38 HG LEU 31 HG LEU 31 19.393 1.769 7.765
39 HD11 LEU 31 HD11 LEU 31 20.551 3.392 9.162
40 HD12 LEU 31 HD12 LEU 31 20.916 4.372 7.742
41 HD13 LEU 31 HD13 LEU 31 21.622 2.764 7.908
42 HD21 LEU 31 HD21 LEU 31 17.439 3.088 7.224
43 HD22 LEU 31 HD22 LEU 31 18.400 4.565 7.224
44 HD23 LEU 31 HD23 LEU 31 18.155 3.674 8.726
45 H PHE 32 HN PHE 32 19.393 0.004 3.731
46 HA PHE 32 HA PHE 32 19.508 1.407 1.162
47 HB2 PHE 32 HB2 PHE 32 21.801 1.378 2.120
48 HB3 PHE 32 HB1 PHE 32 21.726 -0.378 2.189
49 HD1 PHE 32 HD1 PHE 32 22.138 -1.700 0.278
50 HD2 PHE 32 HD2 PHE 32 21.788 2.525 -0.085
51 HE1 PHE 32 HE1 PHE 32 22.993 -1.830 -2.025
52 HE2 PHE 32 HE2 PHE 32 22.645 2.403 -2.387
53 HZ PHE 32 HZ PHE 32 23.251 0.228 -3.360
54 H LEU 33 HN LEU 33 17.592 0.274 0.633
55 HA LEU 33 HA LEU 33 18.007 -2.192 -0.654
56 HB2 LEU 33 HB2 LEU 33 17.855 -2.906 1.748
57 HB3 LEU 33 HB1 LEU 33 16.202 -2.336 1.729
58 HG LEU 33 HG LEU 33 15.803 -3.952 -0.190
59 HD11 LEU 33 HD11 LEU 33 17.328 -5.846 -0.337
60 HD12 LEU 33 HD12 LEU 33 18.410 -5.080 0.825
61 HD13 LEU 33 HD13 LEU 33 18.150 -4.343 -0.755
62 HD21 LEU 33 HD21 LEU 33 15.492 -5.831 1.340
63 HD22 LEU 33 HD22 LEU 33 14.980 -4.309 2.071
64 HD23 LEU 33 HD23 LEU 33 16.520 -5.031 2.530
65 HA PRO 34 HA PRO 34 14.694 0.021 -2.764
66 HB2 PRO 34 HB2 PRO 34 14.539 -1.829 -4.794
67 HB3 PRO 34 HB1 PRO 34 15.689 -0.487 -4.755
68 HG2 PRO 34 HG2 PRO 34 16.094 -3.352 -3.987
69 HG3 PRO 34 HG1 PRO 34 17.167 -2.269 -4.892
70 HD2 PRO 34 HD2 PRO 34 17.595 -2.790 -2.286
71 HD3 PRO 34 HD1 PRO 34 17.894 -1.177 -2.977
72 H LEU 35 HN LEU 35 14.766 -3.408 -1.994
73 HA LEU 35 HA LEU 35 12.110 -4.067 -2.566
74 HB2 LEU 35 HB2 LEU 35 14.011 -5.635 -2.073
75 HB3 LEU 35 HB1 LEU 35 13.813 -5.245 -0.377
76 HG LEU 35 HG LEU 35 11.375 -6.183 -1.760
77 HD11 LEU 35 HD11 LEU 35 13.687 -8.029 -1.182
78 HD12 LEU 35 HD12 LEU 35 13.030 -7.646 -2.772
79 HD13 LEU 35 HD13 LEU 35 12.052 -8.534 -1.603
80 HD21 LEU 35 HD21 LEU 35 12.689 -6.874 0.866
81 HD22 LEU 35 HD22 LEU 35 11.083 -7.385 0.345
82 HD23 LEU 35 HD23 LEU 35 11.416 -5.676 0.631
83 H PHE 36 HN PHE 36 13.434 -2.205 -0.003
84 HA PHE 36 HA PHE 36 11.554 -2.651 2.022
85 HB2 PHE 36 HB2 PHE 36 13.708 -1.388 2.257
86 HB3 PHE 36 HB1 PHE 36 12.945 -0.035 1.425
87 HD1 PHE 36 HD1 PHE 36 12.924 -2.072 4.488
88 HD2 PHE 36 HD2 PHE 36 11.401 1.393 2.542
89 HE1 PHE 36 HE1 PHE 36 12.028 -1.268 6.632
90 HE2 PHE 36 HE2 PHE 36 10.502 2.204 4.684
91 HZ PHE 36 HZ PHE 36 10.815 0.874 6.733
92 H SER 37 HN SER 37 11.285 -0.938 -0.966
93 HA SER 37 HA SER 37 9.026 0.655 -0.175
94 HB2 SER 37 HB2 SER 37 9.941 0.043 -2.978
95 HB3 SER 37 HB1 SER 37 8.937 1.390 -2.457
96 HG SER 37 HG SER 37 11.686 1.032 -2.255
97 H PHE 38 HN PHE 38 9.521 -2.535 -1.365
98 HA PHE 38 HA PHE 38 6.967 -2.936 -2.527
99 HB2 PHE 38 HB2 PHE 38 9.141 -4.742 -1.573
100 HB3 PHE 38 HB1 PHE 38 7.580 -5.421 -2.006
101 HD1 PHE 38 HD1 PHE 38 10.348 -3.323 -3.308
102 HD2 PHE 38 HD2 PHE 38 7.065 -5.869 -4.232
103 HE1 PHE 38 HE1 PHE 38 11.020 -3.324 -5.674
104 HE2 PHE 38 HE2 PHE 38 7.732 -5.874 -6.602
105 HZ PHE 38 HZ PHE 38 9.694 -4.591 -7.329
106 H LEU 39 HN LEU 39 8.203 -3.105 0.727
107 HA LEU 39 HA LEU 39 5.897 -4.436 1.809
108 HB2 LEU 39 HB2 LEU 39 8.262 -3.025 3.022
109 HB3 LEU 39 HB1 LEU 39 6.922 -3.567 4.013
110 HG LEU 39 HG LEU 39 7.324 -5.890 3.224
111 HD11 LEU 39 HD11 LEU 39 9.771 -4.674 1.949
112 HD12 LEU 39 HD12 LEU 39 8.404 -5.401 1.105
113 HD13 LEU 39 HD13 LEU 39 9.450 -6.399 2.115
114 HD21 LEU 39 HD21 LEU 39 9.702 -4.541 4.500
115 HD22 LEU 39 HD22 LEU 39 9.314 -6.260 4.577
116 HD23 LEU 39 HD23 LEU 39 8.248 -5.080 5.341
117 H ILE 40 HN ILE 40 6.873 -1.206 1.116
118 HA ILE 40 HA ILE 40 4.811 0.030 2.734
119 HB ILE 40 HB ILE 40 7.130 0.949 1.154
120 HG12 ILE 40 HG12 ILE 40 5.796 2.073 3.622
121 HG13 ILE 40 HG11 ILE 40 7.023 0.812 3.644
122 HG21 ILE 40 HG21 ILE 40 6.267 3.277 1.001
123 HG22 ILE 40 HG22 ILE 40 4.660 2.657 1.381
124 HG23 ILE 40 HG23 ILE 40 5.478 2.142 -0.094
125 HD11 ILE 40 HD11 ILE 40 7.388 3.621 2.635
126 HD12 ILE 40 HD12 ILE 40 8.619 2.360 2.630
127 HD13 ILE 40 HD13 ILE 40 7.986 2.970 4.159
128 H VAL 41 HN VAL 41 5.319 -0.999 -0.540
129 HA VAL 41 HA VAL 41 3.124 0.499 -1.634
130 HB VAL 41 HB VAL 41 5.252 -0.315 -2.858
131 HG11 VAL 41 HG11 VAL 41 3.484 -2.722 -3.126
132 HG12 VAL 41 HG12 VAL 41 5.037 -2.648 -2.301
133 HG13 VAL 41 HG13 VAL 41 4.958 -2.425 -4.047
134 HG21 VAL 41 HG21 VAL 41 2.492 -0.489 -4.058
135 HG22 VAL 41 HG22 VAL 41 3.984 -0.417 -4.996
136 HG23 VAL 41 HG23 VAL 41 3.525 0.938 -3.965
137 H ALA 42 HN ALA 42 3.700 -2.761 -0.502
138 HA ALA 42 HA ALA 42 1.278 -3.890 -1.441
139 HB1 ALA 42 HB1 ALA 42 3.209 -5.253 -0.812
140 HB2 ALA 42 HB2 ALA 42 1.765 -5.735 0.077
141 HB3 ALA 42 HB3 ALA 42 3.006 -4.767 0.871
142 H GLY 43 HN GLY 43 2.159 -2.150 1.473
143 HA2 GLY 43 HA2 GLY 43 -0.201 -2.787 2.942
144 HA3 GLY 43 HA1 GLY 43 0.925 -1.487 3.299
145 H ALA 44 HN ALA 44 0.751 0.008 0.973
146 HA ALA 44 HA ALA 44 -1.585 1.517 1.462
147 HB1 ALA 44 HB1 ALA 44 -0.884 2.871 -0.448
148 HB2 ALA 44 HB2 ALA 44 0.300 1.640 -0.888
149 HB3 ALA 44 HB3 ALA 44 0.472 2.526 0.627
150 H THR 45 HN THR 45 -0.814 -1.000 -0.839
151 HA THR 45 HA THR 45 -3.115 -0.545 -2.494
152 HB THR 45 HB THR 45 -2.525 -2.868 -3.391
153 HG1 THR 45 HG1 THR 45 -1.304 -3.691 -1.717
154 HG21 THR 45 HG21 THR 45 -0.585 -2.008 -4.631
155 HG22 THR 45 HG22 THR 45 -0.455 -0.672 -3.487
156 HG23 THR 45 HG23 THR 45 -1.875 -0.811 -4.524
157 H THR 46 HN THR 46 -2.362 -2.562 0.273
158 HA THR 46 HA THR 46 -4.610 -4.278 0.061
159 HB THR 46 HB THR 46 -2.990 -3.538 2.506
160 HG1 THR 46 HG1 THR 46 -1.614 -4.997 1.809
161 HG21 THR 46 HG21 THR 46 -4.950 -5.792 2.045
162 HG22 THR 46 HG22 THR 46 -5.138 -4.448 3.172
163 HG23 THR 46 HG23 THR 46 -3.880 -5.655 3.440
164 H LEU 47 HN LEU 47 -4.035 -1.227 1.752
165 HA LEU 47 HA LEU 47 -6.581 -1.217 3.062
166 HB2 LEU 47 HB2 LEU 47 -4.431 -0.043 3.799
167 HB3 LEU 47 HB1 LEU 47 -4.819 1.178 2.604
168 HG LEU 47 HG LEU 47 -6.777 0.444 4.764
169 HD11 LEU 47 HD11 LEU 47 -5.902 2.308 6.083
170 HD12 LEU 47 HD12 LEU 47 -4.589 2.513 4.925
171 HD13 LEU 47 HD13 LEU 47 -4.699 1.036 5.884
172 HD21 LEU 47 HD21 LEU 47 -7.695 1.733 2.962
173 HD22 LEU 47 HD22 LEU 47 -6.354 2.875 3.033
174 HD23 LEU 47 HD23 LEU 47 -7.510 2.787 4.363
175 H PHE 48 HN PHE 48 -5.214 0.563 0.293
176 HA PHE 48 HA PHE 48 -7.468 2.106 -0.290
177 HB2 PHE 48 HB2 PHE 48 -5.071 2.219 -1.271
178 HB3 PHE 48 HB1 PHE 48 -5.664 1.052 -2.449
179 HD1 PHE 48 HD1 PHE 48 -5.696 4.510 -1.378
180 HD2 PHE 48 HD2 PHE 48 -7.492 1.667 -3.986
181 HE1 PHE 48 HE1 PHE 48 -6.645 6.344 -2.719
182 HE2 PHE 48 HE2 PHE 48 -8.443 3.495 -5.330
183 HZ PHE 48 HZ PHE 48 -8.013 5.849 -4.684
184 H CYS 49 HN CYS 49 -6.558 -1.126 -1.411
185 HA CYS 49 HA CYS 49 -8.866 -1.401 -3.092
186 HB2 CYS 49 HB2 CYS 49 -6.861 -3.435 -2.093
187 HB3 CYS 49 HB1 CYS 49 -8.130 -3.787 -3.260
188 HG CYS 49 HG CYS 49 -7.125 -2.325 -5.303
189 H LEU 50 HN LEU 50 -8.163 -1.920 0.238
190 HA LEU 50 HA LEU 50 -9.994 -3.902 0.929
191 HB2 LEU 50 HB2 LEU 50 -8.213 -2.505 2.323
192 HB3 LEU 50 HB1 LEU 50 -9.632 -1.571 2.748
193 HG LEU 50 HG LEU 50 -10.698 -3.718 3.529
194 HD11 LEU 50 HD11 LEU 50 -7.882 -4.751 3.204
195 HD12 LEU 50 HD12 LEU 50 -9.300 -5.278 2.296
196 HD13 LEU 50 HD13 LEU 50 -9.199 -5.589 4.029
197 HD21 LEU 50 HD21 LEU 50 -9.774 -2.123 5.103
198 HD22 LEU 50 HD22 LEU 50 -8.164 -2.807 4.888
199 HD23 LEU 50 HD23 LEU 50 -9.437 -3.769 5.640
200 H LEU 51 HN LEU 51 -10.446 -0.372 0.841
201 HA LEU 51 HA LEU 51 -13.153 -0.378 1.605
202 HB2 LEU 51 HB2 LEU 51 -11.665 1.625 -0.095
203 HB3 LEU 51 HB1 LEU 51 -13.218 1.899 0.672
204 HG LEU 51 HG LEU 51 -10.649 1.354 2.164
205 HD11 LEU 51 HD11 LEU 51 -10.550 3.492 1.002
206 HD12 LEU 51 HD12 LEU 51 -10.714 3.730 2.741
207 HD13 LEU 51 HD13 LEU 51 -12.110 3.949 1.686
208 HD21 LEU 51 HD21 LEU 51 -12.593 0.651 3.414
209 HD22 LEU 51 HD22 LEU 51 -13.395 2.189 3.093
210 HD23 LEU 51 HD23 LEU 51 -11.954 2.140 4.109
211 H HIS 52 HN HIS 52 -11.584 -0.846 -1.480
212 HA HIS 52 HA HIS 52 -13.991 -0.560 -3.025
213 HB2 HIS 52 HB2 HIS 52 -11.645 -0.124 -3.875
214 HB3 HIS 52 HB1 HIS 52 -11.408 -1.868 -3.887
215 HD1 HIS 52 HD1 HIS 52 -11.979 -2.993 -6.018
216 HD2 HIS 52 HD2 HIS 52 -13.924 0.657 -5.620
217 HE1 HIS 52 HE1 HIS 52 -13.188 -2.634 -8.194
218 HE2 HIS 52 HE2 HIS 52 -14.418 -0.454 -7.903
219 H PHE 53 HN PHE 53 -12.605 -3.025 -1.144
220 HA PHE 53 HA PHE 53 -13.493 -5.315 -2.550
221 HB2 PHE 53 HB2 PHE 53 -11.780 -5.405 -0.782
222 HB3 PHE 53 HB1 PHE 53 -12.993 -4.963 0.413
223 HD1 PHE 53 HD1 PHE 53 -12.107 -7.579 -2.062
224 HD2 PHE 53 HD2 PHE 53 -14.273 -6.600 1.469
225 HE1 PHE 53 HE1 PHE 53 -12.642 -9.957 -1.737
226 HE2 PHE 53 HE2 PHE 53 -14.810 -8.978 1.803
227 HZ PHE 53 HZ PHE 53 -13.995 -10.659 0.211
228 H GLY 54 HN GLY 54 -15.131 -2.986 -0.630
229 HA2 GLY 54 HA2 GLY 54 -17.576 -2.956 -0.927
230 HA3 GLY 54 HA1 GLY 54 -17.543 -4.692 -0.661
231 H VAL 55 HN VAL 55 -15.487 -2.680 1.256
232 HA VAL 55 HA VAL 55 -16.689 -3.563 3.679
233 HB VAL 55 HB VAL 55 -14.665 -1.362 3.253
234 HG11 VAL 55 HG11 VAL 55 -14.120 -1.699 5.626
235 HG12 VAL 55 HG12 VAL 55 -15.454 -2.846 5.761
236 HG13 VAL 55 HG13 VAL 55 -15.780 -1.150 5.402
237 HG21 VAL 55 HG21 VAL 55 -12.998 -3.031 3.851
238 HG22 VAL 55 HG22 VAL 55 -13.909 -3.551 2.433
239 HG23 VAL 55 HG23 VAL 55 -14.256 -4.256 4.013
240 H ILE 56 HN ILE 56 -16.069 -0.213 2.784
241 HA ILE 56 HA ILE 56 -18.042 0.871 4.446
242 HB ILE 56 HB ILE 56 -17.769 2.945 3.052
243 HG12 ILE 56 HG12 ILE 56 -15.737 1.231 1.606
244 HG13 ILE 56 HG11 ILE 56 -17.262 1.787 0.924
245 HG21 ILE 56 HG21 ILE 56 -15.228 1.643 4.020
246 HG22 ILE 56 HG22 ILE 56 -16.403 2.475 5.037
247 HG23 ILE 56 HG23 ILE 56 -15.502 3.373 3.816
248 HD11 ILE 56 HD11 ILE 56 -15.492 3.171 0.114
249 HD12 ILE 56 HD12 ILE 56 -14.921 3.480 1.754
250 HD13 ILE 56 HD13 ILE 56 -16.480 4.118 1.225
251 H GLY 57 HN GLY 57 -18.269 -0.600 1.395
252 HA2 GLY 57 HA2 GLY 57 -20.128 -1.151 0.143
253 HA3 GLY 57 HA1 GLY 57 -21.118 -0.385 1.376
254 HA PRO 58 HA PRO 58 -21.546 2.383 -2.226
255 HB2 PRO 58 HB2 PRO 58 -24.066 3.174 -1.714
256 HB3 PRO 58 HB1 PRO 58 -23.707 1.612 -2.460
257 HG2 PRO 58 HG2 PRO 58 -24.384 2.243 0.385
258 HG3 PRO 58 HG1 PRO 58 -24.942 0.899 -0.629
259 HD2 PRO 58 HD2 PRO 58 -22.939 0.680 1.225
260 HD3 PRO 58 HD1 PRO 58 -23.068 -0.348 -0.215
261 H GLN 59 HN GLN 59 -20.526 3.003 0.625
262 HA GLN 59 HA GLN 59 -21.565 5.686 1.030
263 HB2 GLN 59 HB2 GLN 59 -19.501 4.062 2.521
264 HB3 GLN 59 HB1 GLN 59 -19.923 5.716 2.944
265 HG2 GLN 59 HG2 GLN 59 -22.295 4.924 3.207
266 HG3 GLN 59 HG1 GLN 59 -21.677 3.279 3.052
267 HE21 GLN 59 HE21 GLN 59 -20.384 2.427 4.685
268 HE22 GLN 59 HE22 GLN 59 -20.307 3.133 6.259
269 H ARG 60 HN ARG 60 -20.879 6.832 -0.760
270 HA ARG 60 HA ARG 60 -18.051 6.897 -1.422
271 HB2 ARG 60 HB2 ARG 60 -20.412 8.357 -2.622
272 HB3 ARG 60 HB1 ARG 60 -18.766 8.441 -3.233
273 HG2 ARG 60 HG2 ARG 60 -20.428 5.935 -3.065
274 HG3 ARG 60 HG1 ARG 60 -20.176 6.901 -4.519
275 HD2 ARG 60 HD2 ARG 60 -17.750 6.492 -4.332
276 HD3 ARG 60 HD1 ARG 60 -18.051 5.464 -2.930
277 HE ARG 60 HE ARG 60 -19.328 4.797 -5.480
278 HH11 ARG 60 HH11 ARG 60 -17.004 4.061 -2.989
279 HH12 ARG 60 HH12 ARG 60 -16.728 2.444 -3.547
280 HH21 ARG 60 HH21 ARG 60 -18.972 2.670 -6.217
281 HH22 ARG 60 HH22 ARG 60 -17.845 1.654 -5.381
Start of MODEL 14
1 H1 ARG 28 HT1 ARG 28 26.265 -8.494 0.819
2 H2 ARG 28 HT2 ARG 28 27.184 -9.718 0.104
3 H3 ARG 28 HT3 ARG 28 25.503 -9.708 -0.077
4 HA ARG 28 HA ARG 28 27.438 -7.772 -1.201
5 HB2 ARG 28 HB2 ARG 28 25.608 -9.840 -2.423
6 HB3 ARG 28 HB1 ARG 28 26.343 -8.551 -3.362
7 HG2 ARG 28 HG2 ARG 28 27.727 -10.405 -3.688
8 HG3 ARG 28 HG1 ARG 28 28.578 -9.408 -2.507
9 HD2 ARG 28 HD2 ARG 28 27.834 -10.824 -0.706
10 HD3 ARG 28 HD1 ARG 28 26.818 -11.755 -1.806
11 HE ARG 28 HE ARG 28 29.380 -11.948 -2.800
12 HH11 ARG 28 HH11 ARG 28 27.756 -12.750 0.178
13 HH12 ARG 28 HH12 ARG 28 28.792 -14.092 0.532
14 HH21 ARG 28 HH21 ARG 28 30.749 -13.713 -2.342
15 HH22 ARG 28 HH22 ARG 28 30.494 -14.639 -0.901
16 H ARG 29 HN ARG 29 24.067 -8.544 -0.549
17 HA ARG 29 HA ARG 29 23.204 -5.990 -1.676
18 HB2 ARG 29 HB2 ARG 29 21.600 -8.274 -0.512
19 HB3 ARG 29 HB1 ARG 29 20.919 -6.828 -1.245
20 HG2 ARG 29 HG2 ARG 29 21.919 -7.426 -3.384
21 HG3 ARG 29 HG1 ARG 29 22.633 -8.865 -2.653
22 HD2 ARG 29 HD2 ARG 29 20.405 -9.720 -2.144
23 HD3 ARG 29 HD1 ARG 29 19.681 -8.273 -2.844
24 HE ARG 29 HE ARG 29 21.281 -9.387 -4.809
25 HH11 ARG 29 HH11 ARG 29 18.484 -10.305 -2.947
26 HH12 ARG 29 HH12 ARG 29 17.833 -11.327 -4.185
27 HH21 ARG 29 HH21 ARG 29 20.431 -10.731 -6.448
28 HH22 ARG 29 HH22 ARG 29 18.940 -11.571 -6.174
29 H CYS 30 HN CYS 30 21.774 -4.591 -0.421
30 HA CYS 30 HA CYS 30 22.863 -3.941 2.096
31 HB2 CYS 30 HB2 CYS 30 20.954 -2.335 2.247
32 HB3 CYS 30 HB1 CYS 30 21.867 -2.214 0.746
33 HG CYS 30 HG CYS 30 19.046 -4.108 0.829
34 H LEU 31 HN LEU 31 22.572 -4.966 3.954
35 HA LEU 31 HA LEU 31 20.596 -6.948 4.349
36 HB2 LEU 31 HB2 LEU 31 22.522 -5.560 6.193
37 HB3 LEU 31 HB1 LEU 31 21.378 -6.744 6.786
38 HG LEU 31 HG LEU 31 23.490 -7.826 6.478
39 HD11 LEU 31 HD11 LEU 31 21.657 -8.576 4.208
40 HD12 LEU 31 HD12 LEU 31 21.512 -9.130 5.876
41 HD13 LEU 31 HD13 LEU 31 22.915 -9.592 4.912
42 HD21 LEU 31 HD21 LEU 31 24.451 -6.218 4.892
43 HD22 LEU 31 HD22 LEU 31 23.422 -6.876 3.620
44 HD23 LEU 31 HD23 LEU 31 24.662 -7.886 4.361
45 H PHE 32 HN PHE 32 18.506 -6.439 4.421
46 HA PHE 32 HA PHE 32 16.529 -5.526 5.060
47 HB2 PHE 32 HB2 PHE 32 17.258 -6.257 7.286
48 HB3 PHE 32 HB1 PHE 32 18.101 -4.729 7.519
49 HD1 PHE 32 HD1 PHE 32 14.785 -6.302 7.183
50 HD2 PHE 32 HD2 PHE 32 16.943 -2.777 8.199
51 HE1 PHE 32 HE1 PHE 32 12.736 -5.325 8.134
52 HE2 PHE 32 HE2 PHE 32 14.899 -1.794 9.152
53 HZ PHE 32 HZ PHE 32 12.792 -3.069 9.120
54 H LEU 33 HN LEU 33 16.135 -3.934 3.612
55 HA LEU 33 HA LEU 33 16.237 -1.248 4.519
56 HB2 LEU 33 HB2 LEU 33 18.606 -1.703 3.715
57 HB3 LEU 33 HB1 LEU 33 17.940 -1.785 2.097
58 HG LEU 33 HG LEU 33 17.105 0.542 2.360
59 HD11 LEU 33 HD11 LEU 33 18.685 0.447 4.925
60 HD12 LEU 33 HD12 LEU 33 16.936 0.623 4.777
61 HD13 LEU 33 HD13 LEU 33 18.004 1.901 4.196
62 HD21 LEU 33 HD21 LEU 33 20.068 0.155 2.768
63 HD22 LEU 33 HD22 LEU 33 19.297 1.609 2.134
64 HD23 LEU 33 HD23 LEU 33 19.214 0.098 1.226
65 HA PRO 34 HA PRO 34 14.113 -1.423 0.218
66 HB2 PRO 34 HB2 PRO 34 14.227 -4.127 -0.810
67 HB3 PRO 34 HB1 PRO 34 14.866 -2.647 -1.528
68 HG2 PRO 34 HG2 PRO 34 16.446 -4.656 -0.578
69 HG3 PRO 34 HG1 PRO 34 16.948 -2.955 -0.624
70 HD2 PRO 34 HD2 PRO 34 15.888 -4.558 1.680
71 HD3 PRO 34 HD1 PRO 34 17.233 -3.399 1.640
72 H LEU 35 HN LEU 35 13.819 -3.832 2.606
73 HA LEU 35 HA LEU 35 11.279 -4.886 1.850
74 HB2 LEU 35 HB2 LEU 35 12.680 -6.196 3.272
75 HB3 LEU 35 HB1 LEU 35 12.799 -4.903 4.448
76 HG LEU 35 HG LEU 35 10.080 -5.956 3.878
77 HD11 LEU 35 HD11 LEU 35 11.389 -7.999 3.996
78 HD12 LEU 35 HD12 LEU 35 10.395 -7.811 5.440
79 HD13 LEU 35 HD13 LEU 35 12.122 -7.461 5.506
80 HD21 LEU 35 HD21 LEU 35 11.527 -5.147 6.400
81 HD22 LEU 35 HD22 LEU 35 9.817 -5.559 6.273
82 HD23 LEU 35 HD23 LEU 35 10.441 -4.124 5.458
83 H PHE 36 HN PHE 36 12.301 -2.456 4.236
84 HA PHE 36 HA PHE 36 9.908 -1.861 5.425
85 HB2 PHE 36 HB2 PHE 36 12.054 -0.846 6.069
86 HB3 PHE 36 HB1 PHE 36 12.042 0.118 4.596
87 HD1 PHE 36 HD1 PHE 36 10.153 -0.495 7.731
88 HD2 PHE 36 HD2 PHE 36 10.999 2.197 4.546
89 HE1 PHE 36 HE1 PHE 36 8.902 1.273 8.898
90 HE2 PHE 36 HE2 PHE 36 9.751 3.971 5.707
91 HZ PHE 36 HZ PHE 36 8.700 3.509 7.886
92 H SER 37 HN SER 37 11.035 -0.903 2.249
93 HA SER 37 HA SER 37 8.792 0.849 1.779
94 HB2 SER 37 HB2 SER 37 9.761 1.201 -0.408
95 HB3 SER 37 HB1 SER 37 11.048 1.241 0.797
96 HG SER 37 HG SER 37 11.908 -0.470 -0.069
97 H PHE 38 HN PHE 38 9.628 -2.480 1.187
98 HA PHE 38 HA PHE 38 7.797 -3.065 -0.857
99 HB2 PHE 38 HB2 PHE 38 9.677 -4.537 0.029
100 HB3 PHE 38 HB1 PHE 38 8.581 -4.966 1.334
101 HD1 PHE 38 HD1 PHE 38 9.350 -5.371 -2.194
102 HD2 PHE 38 HD2 PHE 38 6.584 -6.298 0.903
103 HE1 PHE 38 HE1 PHE 38 8.364 -7.126 -3.607
104 HE2 PHE 38 HE2 PHE 38 5.592 -8.055 -0.505
105 HZ PHE 38 HZ PHE 38 6.481 -8.471 -2.762
106 H LEU 39 HN LEU 39 7.445 -2.742 2.598
107 HA LEU 39 HA LEU 39 4.764 -3.801 2.654
108 HB2 LEU 39 HB2 LEU 39 6.539 -2.454 4.671
109 HB3 LEU 39 HB1 LEU 39 4.845 -2.738 5.014
110 HG LEU 39 HG LEU 39 6.181 -4.487 6.007
111 HD11 LEU 39 HD11 LEU 39 3.984 -5.104 5.129
112 HD12 LEU 39 HD12 LEU 39 5.124 -6.446 5.027
113 HD13 LEU 39 HD13 LEU 39 4.720 -5.521 3.581
114 HD21 LEU 39 HD21 LEU 39 7.544 -5.997 4.661
115 HD22 LEU 39 HD22 LEU 39 8.126 -4.336 4.537
116 HD23 LEU 39 HD23 LEU 39 7.191 -5.045 3.220
117 H ILE 40 HN ILE 40 6.291 -0.763 2.144
118 HA ILE 40 HA ILE 40 4.050 0.901 2.773
119 HB ILE 40 HB ILE 40 6.570 1.409 1.191
120 HG12 ILE 40 HG12 ILE 40 5.699 2.398 3.913
121 HG13 ILE 40 HG11 ILE 40 6.776 1.033 3.646
122 HG21 ILE 40 HG21 ILE 40 4.823 2.867 0.338
123 HG22 ILE 40 HG22 ILE 40 6.000 3.791 1.272
124 HG23 ILE 40 HG23 ILE 40 4.434 3.387 1.978
125 HD11 ILE 40 HD11 ILE 40 8.022 3.026 4.220
126 HD12 ILE 40 HD12 ILE 40 7.307 3.888 2.859
127 HD13 ILE 40 HD13 ILE 40 8.387 2.524 2.570
128 H VAL 41 HN VAL 41 5.293 -0.662 -0.115
129 HA VAL 41 HA VAL 41 3.370 0.619 -1.853
130 HB VAL 41 HB VAL 41 5.273 -1.661 -2.424
131 HG11 VAL 41 HG11 VAL 41 3.695 0.099 -4.302
132 HG12 VAL 41 HG12 VAL 41 3.396 -1.608 -3.980
133 HG13 VAL 41 HG13 VAL 41 4.886 -1.110 -4.782
134 HG21 VAL 41 HG21 VAL 41 6.661 0.047 -3.505
135 HG22 VAL 41 HG22 VAL 41 6.453 0.369 -1.784
136 HG23 VAL 41 HG23 VAL 41 5.536 1.295 -2.971
137 H ALA 42 HN ALA 42 3.963 -2.681 -0.658
138 HA ALA 42 HA ALA 42 1.714 -3.854 -1.888
139 HB1 ALA 42 HB1 ALA 42 3.631 -5.143 -1.055
140 HB2 ALA 42 HB2 ALA 42 2.101 -5.740 -0.411
141 HB3 ALA 42 HB3 ALA 42 3.160 -4.755 0.599
142 H GLY 43 HN GLY 43 2.200 -2.491 1.352
143 HA2 GLY 43 HA2 GLY 43 -0.356 -3.175 2.356
144 HA3 GLY 43 HA1 GLY 43 0.706 -1.936 3.005
145 H ALA 44 HN ALA 44 0.765 -0.519 0.393
146 HA ALA 44 HA ALA 44 -1.433 1.217 0.871
147 HB1 ALA 44 HB1 ALA 44 0.440 1.120 -1.490
148 HB2 ALA 44 HB2 ALA 44 0.702 2.025 -0.000
149 HB3 ALA 44 HB3 ALA 44 -0.632 2.455 -1.070
150 H THR 45 HN THR 45 -0.724 -1.169 -1.659
151 HA THR 45 HA THR 45 -3.124 -0.662 -3.119
152 HB THR 45 HB THR 45 -2.585 -2.789 -4.307
153 HG1 THR 45 HG1 THR 45 -0.594 -3.800 -3.755
154 HG21 THR 45 HG21 THR 45 -0.527 -1.969 -5.350
155 HG22 THR 45 HG22 THR 45 -0.284 -0.857 -4.002
156 HG23 THR 45 HG23 THR 45 -1.669 -0.653 -5.075
157 H THR 46 HN THR 46 -2.198 -2.887 -0.567
158 HA THR 46 HA THR 46 -4.489 -4.562 -0.759
159 HB THR 46 HB THR 46 -2.713 -4.093 1.645
160 HG1 THR 46 HG1 THR 46 -2.541 -5.923 -0.530
161 HG21 THR 46 HG21 THR 46 -4.520 -6.416 0.959
162 HG22 THR 46 HG22 THR 46 -4.856 -5.185 2.177
163 HG23 THR 46 HG23 THR 46 -3.491 -6.282 2.385
164 H LEU 47 HN LEU 47 -3.720 -1.657 1.087
165 HA LEU 47 HA LEU 47 -6.112 -1.730 2.655
166 HB2 LEU 47 HB2 LEU 47 -3.790 -0.465 2.986
167 HB3 LEU 47 HB1 LEU 47 -4.662 0.826 2.182
168 HG LEU 47 HG LEU 47 -5.651 -0.548 4.680
169 HD11 LEU 47 HD11 LEU 47 -4.883 1.430 5.888
170 HD12 LEU 47 HD12 LEU 47 -4.151 2.052 4.409
171 HD13 LEU 47 HD13 LEU 47 -3.538 0.569 5.140
172 HD21 LEU 47 HD21 LEU 47 -6.476 1.996 3.286
173 HD22 LEU 47 HD22 LEU 47 -7.085 1.450 4.848
174 HD23 LEU 47 HD23 LEU 47 -7.409 0.504 3.396
175 H PHE 48 HN PHE 48 -5.097 -0.130 -0.320
176 HA PHE 48 HA PHE 48 -7.288 1.583 -0.647
177 HB2 PHE 48 HB2 PHE 48 -5.236 1.751 -1.992
178 HB3 PHE 48 HB1 PHE 48 -5.622 0.224 -2.778
179 HD1 PHE 48 HD1 PHE 48 -6.602 3.754 -2.430
180 HD2 PHE 48 HD2 PHE 48 -7.210 0.113 -4.548
181 HE1 PHE 48 HE1 PHE 48 -7.877 4.969 -4.148
182 HE2 PHE 48 HE2 PHE 48 -8.485 1.321 -6.269
183 HZ PHE 48 HZ PHE 48 -8.819 3.753 -6.071
184 H CYS 49 HN CYS 49 -6.760 -1.719 -1.858
185 HA CYS 49 HA CYS 49 -9.330 -1.927 -3.067
186 HB2 CYS 49 HB2 CYS 49 -7.469 -3.310 -3.830
187 HB3 CYS 49 HB1 CYS 49 -7.366 -4.078 -2.249
188 HG CYS 49 HG CYS 49 -9.923 -4.402 -4.498
189 H LEU 50 HN LEU 50 -8.137 -2.337 0.135
190 HA LEU 50 HA LEU 50 -10.052 -4.125 1.160
191 HB2 LEU 50 HB2 LEU 50 -7.837 -2.928 2.158
192 HB3 LEU 50 HB1 LEU 50 -9.085 -1.988 2.954
193 HG LEU 50 HG LEU 50 -10.069 -4.157 3.776
194 HD11 LEU 50 HD11 LEU 50 -8.600 -6.117 3.780
195 HD12 LEU 50 HD12 LEU 50 -7.453 -5.255 2.754
196 HD13 LEU 50 HD13 LEU 50 -9.061 -5.648 2.144
197 HD21 LEU 50 HD21 LEU 50 -7.254 -3.470 4.613
198 HD22 LEU 50 HD22 LEU 50 -8.386 -4.447 5.546
199 HD23 LEU 50 HD23 LEU 50 -8.739 -2.748 5.233
200 H LEU 51 HN LEU 51 -9.938 -0.564 1.336
201 HA LEU 51 HA LEU 51 -12.564 -0.340 2.419
202 HB2 LEU 51 HB2 LEU 51 -10.877 1.751 1.040
203 HB3 LEU 51 HB1 LEU 51 -12.302 2.062 2.012
204 HG LEU 51 HG LEU 51 -9.724 0.875 3.046
205 HD11 LEU 51 HD11 LEU 51 -9.457 3.210 2.413
206 HD12 LEU 51 HD12 LEU 51 -9.436 3.029 4.167
207 HD13 LEU 51 HD13 LEU 51 -10.880 3.642 3.361
208 HD21 LEU 51 HD21 LEU 51 -11.649 0.099 4.304
209 HD22 LEU 51 HD22 LEU 51 -12.227 1.755 4.478
210 HD23 LEU 51 HD23 LEU 51 -10.724 1.260 5.257
211 H HIS 52 HN HIS 52 -11.215 -0.283 -0.809
212 HA HIS 52 HA HIS 52 -13.498 0.751 -2.136
213 HB2 HIS 52 HB2 HIS 52 -11.067 0.557 -2.987
214 HB3 HIS 52 HB1 HIS 52 -11.493 -1.098 -3.410
215 HD1 HIS 52 HD1 HIS 52 -12.720 -1.442 -5.571
216 HD2 HIS 52 HD2 HIS 52 -12.607 2.548 -4.415
217 HE1 HIS 52 HE1 HIS 52 -13.629 -0.148 -7.528
218 HE2 HIS 52 HE2 HIS 52 -13.610 2.258 -6.781
219 H PHE 53 HN PHE 53 -12.921 -2.216 -0.649
220 HA PHE 53 HA PHE 53 -14.415 -3.927 -2.370
221 HB2 PHE 53 HB2 PHE 53 -12.716 -4.395 -0.340
222 HB3 PHE 53 HB1 PHE 53 -14.239 -4.555 0.529
223 HD1 PHE 53 HD1 PHE 53 -11.936 -6.092 -1.758
224 HD2 PHE 53 HD2 PHE 53 -15.916 -6.246 -0.258
225 HE1 PHE 53 HE1 PHE 53 -12.158 -8.395 -2.593
226 HE2 PHE 53 HE2 PHE 53 -16.143 -8.551 -1.090
227 HZ PHE 53 HZ PHE 53 -14.263 -9.629 -2.259
228 H GLY 54 HN GLY 54 -15.323 -1.467 -0.240
229 HA2 GLY 54 HA2 GLY 54 -17.595 -0.717 -0.148
230 HA3 GLY 54 HA1 GLY 54 -18.116 -2.383 -0.363
231 H VAL 55 HN VAL 55 -15.572 -1.556 1.848
232 HA VAL 55 HA VAL 55 -16.908 -2.779 4.037
233 HB VAL 55 HB VAL 55 -14.343 -2.464 3.504
234 HG11 VAL 55 HG11 VAL 55 -14.903 -0.212 5.410
235 HG12 VAL 55 HG12 VAL 55 -14.426 -0.028 3.724
236 HG13 VAL 55 HG13 VAL 55 -13.314 -0.764 4.879
237 HG21 VAL 55 HG21 VAL 55 -13.855 -3.027 5.832
238 HG22 VAL 55 HG22 VAL 55 -15.272 -3.899 5.246
239 HG23 VAL 55 HG23 VAL 55 -15.472 -2.500 6.300
240 H ILE 56 HN ILE 56 -17.071 0.326 2.735
241 HA ILE 56 HA ILE 56 -18.162 1.374 5.259
242 HB ILE 56 HB ILE 56 -17.660 3.654 4.401
243 HG12 ILE 56 HG12 ILE 56 -17.399 2.660 1.980
244 HG13 ILE 56 HG11 ILE 56 -16.464 4.065 2.472
245 HG21 ILE 56 HG21 ILE 56 -15.244 3.562 4.911
246 HG22 ILE 56 HG22 ILE 56 -15.322 1.803 4.820
247 HG23 ILE 56 HG23 ILE 56 -16.233 2.662 6.061
248 HD11 ILE 56 HD11 ILE 56 -15.373 1.274 2.642
249 HD12 ILE 56 HD12 ILE 56 -14.496 2.802 2.693
250 HD13 ILE 56 HD13 ILE 56 -15.243 2.264 1.189
251 H GLY 57 HN GLY 57 -18.691 0.775 1.938
252 HA2 GLY 57 HA2 GLY 57 -20.575 0.931 0.629
253 HA3 GLY 57 HA1 GLY 57 -21.480 1.128 2.123
254 HA PRO 58 HA PRO 58 -21.830 5.164 -0.045
255 HB2 PRO 58 HB2 PRO 58 -24.458 5.526 0.266
256 HB3 PRO 58 HB1 PRO 58 -23.826 4.427 -0.966
257 HG2 PRO 58 HG2 PRO 58 -24.957 3.799 1.734
258 HG3 PRO 58 HG1 PRO 58 -25.233 2.977 0.187
259 HD2 PRO 58 HD2 PRO 58 -23.469 2.103 2.109
260 HD3 PRO 58 HD1 PRO 58 -23.331 1.722 0.382
261 H GLN 59 HN GLN 59 -22.370 4.077 3.133
262 HA GLN 59 HA GLN 59 -21.850 6.674 4.227
263 HB2 GLN 59 HB2 GLN 59 -24.286 6.816 3.823
264 HB3 GLN 59 HB1 GLN 59 -24.522 5.384 4.817
265 HG2 GLN 59 HG2 GLN 59 -23.499 6.643 6.720
266 HG3 GLN 59 HG1 GLN 59 -23.523 8.080 5.699
267 HE21 GLN 59 HE21 GLN 59 -25.436 5.789 7.475
268 HE22 GLN 59 HE22 GLN 59 -26.910 6.689 7.447
269 H ARG 60 HN ARG 60 -21.277 6.602 6.432
270 HA ARG 60 HA ARG 60 -20.013 4.265 7.289
271 HB2 ARG 60 HB2 ARG 60 -20.918 6.615 8.961
272 HB3 ARG 60 HB1 ARG 60 -19.729 5.412 9.443
273 HG2 ARG 60 HG2 ARG 60 -18.249 6.124 7.657
274 HG3 ARG 60 HG1 ARG 60 -19.451 7.298 7.113
275 HD2 ARG 60 HD2 ARG 60 -19.293 8.444 9.276
276 HD3 ARG 60 HD1 ARG 60 -18.077 7.278 9.800
277 HE ARG 60 HE ARG 60 -17.039 8.295 7.512
278 HH11 ARG 60 HH11 ARG 60 -18.264 9.727 10.445
279 HH12 ARG 60 HH12 ARG 60 -17.224 11.108 10.356
280 HH21 ARG 60 HH21 ARG 60 -15.668 10.110 7.389
281 HH22 ARG 60 HH22 ARG 60 -15.751 11.326 8.619
Start of MODEL 15
1 H1 ARG 28 HT1 ARG 28 22.451 7.903 -7.099
2 H2 ARG 28 HT2 ARG 28 22.373 6.588 -8.159
3 H3 ARG 28 HT3 ARG 28 23.509 6.596 -6.906
4 HA ARG 28 HA ARG 28 21.778 6.497 -5.260
5 HB2 ARG 28 HB2 ARG 28 20.092 7.733 -6.578
6 HB3 ARG 28 HB1 ARG 28 19.915 6.344 -7.639
7 HG2 ARG 28 HG2 ARG 28 19.085 5.010 -5.778
8 HG3 ARG 28 HG1 ARG 28 19.287 6.388 -4.693
9 HD2 ARG 28 HD2 ARG 28 17.686 7.667 -6.047
10 HD3 ARG 28 HD1 ARG 28 17.465 6.265 -7.093
11 HE ARG 28 HE ARG 28 16.949 5.650 -4.358
12 HH11 ARG 28 HH11 ARG 28 15.580 7.108 -7.210
13 HH12 ARG 28 HH12 ARG 28 13.942 6.811 -6.732
14 HH21 ARG 28 HH21 ARG 28 14.797 5.254 -3.721
15 HH22 ARG 28 HH22 ARG 28 13.496 5.757 -4.749
16 H ARG 29 HN ARG 29 22.980 4.645 -4.878
17 HA ARG 29 HA ARG 29 22.455 2.284 -6.513
18 HB2 ARG 29 HB2 ARG 29 24.359 2.660 -4.195
19 HB3 ARG 29 HB1 ARG 29 24.266 1.242 -5.230
20 HG2 ARG 29 HG2 ARG 29 24.938 2.596 -7.149
21 HG3 ARG 29 HG1 ARG 29 25.029 4.019 -6.110
22 HD2 ARG 29 HD2 ARG 29 26.758 2.906 -4.765
23 HD3 ARG 29 HD1 ARG 29 26.681 1.510 -5.840
24 HE ARG 29 HE ARG 29 27.194 3.790 -7.380
25 HH11 ARG 29 HH11 ARG 29 28.745 1.810 -4.965
26 HH12 ARG 29 HH12 ARG 29 30.346 2.150 -5.531
27 HH21 ARG 29 HH21 ARG 29 29.299 4.239 -8.132
28 HH22 ARG 29 HH22 ARG 29 30.661 3.530 -7.331
29 H CYS 30 HN CYS 30 21.528 0.409 -5.739
30 HA CYS 30 HA CYS 30 20.378 0.512 -3.033
31 HB2 CYS 30 HB2 CYS 30 18.291 -0.466 -3.906
32 HB3 CYS 30 HB1 CYS 30 18.613 1.115 -4.608
33 HG CYS 30 HG CYS 30 18.898 -1.930 -6.123
34 H LEU 31 HN LEU 31 20.497 -1.341 -1.889
35 HA LEU 31 HA LEU 31 21.590 -3.702 -3.271
36 HB2 LEU 31 HB2 LEU 31 21.989 -2.763 -0.430
37 HB3 LEU 31 HB1 LEU 31 22.509 -4.329 -1.018
38 HG LEU 31 HG LEU 31 24.422 -2.925 -0.990
39 HD11 LEU 31 HD11 LEU 31 25.100 -2.869 -3.322
40 HD12 LEU 31 HD12 LEU 31 23.421 -3.057 -3.828
41 HD13 LEU 31 HD13 LEU 31 24.230 -4.359 -2.957
42 HD21 LEU 31 HD21 LEU 31 22.888 -0.915 -2.628
43 HD22 LEU 31 HD22 LEU 31 24.548 -0.765 -2.054
44 HD23 LEU 31 HD23 LEU 31 23.214 -0.777 -0.900
45 H PHE 32 HN PHE 32 19.985 -3.104 -0.144
46 HA PHE 32 HA PHE 32 18.059 -5.228 -0.825
47 HB2 PHE 32 HB2 PHE 32 19.803 -5.925 0.855
48 HB3 PHE 32 HB1 PHE 32 19.168 -4.693 1.939
49 HD1 PHE 32 HD1 PHE 32 17.516 -5.261 3.441
50 HD2 PHE 32 HD2 PHE 32 18.065 -7.653 -0.036
51 HE1 PHE 32 HE1 PHE 32 15.851 -6.866 4.286
52 HE2 PHE 32 HE2 PHE 32 16.403 -9.261 0.802
53 HZ PHE 32 HZ PHE 32 15.294 -8.869 2.966
54 H LEU 33 HN LEU 33 18.446 -2.034 -0.246
55 HA LEU 33 HA LEU 33 16.417 -1.350 1.550
56 HB2 LEU 33 HB2 LEU 33 18.227 0.139 0.590
57 HB3 LEU 33 HB1 LEU 33 17.235 0.281 -0.848
58 HG LEU 33 HG LEU 33 16.120 1.015 1.840
59 HD11 LEU 33 HD11 LEU 33 17.733 2.810 0.032
60 HD12 LEU 33 HD12 LEU 33 18.220 2.238 1.627
61 HD13 LEU 33 HD13 LEU 33 16.836 3.317 1.463
62 HD21 LEU 33 HD21 LEU 33 14.529 0.860 0.040
63 HD22 LEU 33 HD22 LEU 33 15.542 1.865 -0.994
64 HD23 LEU 33 HD23 LEU 33 14.779 2.560 0.435
65 HA PRO 34 HA PRO 34 13.639 -0.912 -2.586
66 HB2 PRO 34 HB2 PRO 34 14.682 -3.463 -3.734
67 HB3 PRO 34 HB1 PRO 34 14.067 -2.025 -4.559
68 HG2 PRO 34 HG2 PRO 34 16.680 -2.496 -4.430
69 HG3 PRO 34 HG1 PRO 34 16.042 -0.849 -4.264
70 HD2 PRO 34 HD2 PRO 34 17.123 -2.685 -2.182
71 HD3 PRO 34 HD1 PRO 34 17.209 -0.916 -2.284
72 H LEU 35 HN LEU 35 14.624 -3.744 -0.790
73 HA LEU 35 HA LEU 35 12.259 -5.257 -1.123
74 HB2 LEU 35 HB2 LEU 35 14.524 -6.032 -0.237
75 HB3 LEU 35 HB1 LEU 35 14.056 -5.325 1.296
76 HG LEU 35 HG LEU 35 13.714 -7.780 1.185
77 HD11 LEU 35 HD11 LEU 35 11.128 -6.260 1.453
78 HD12 LEU 35 HD12 LEU 35 12.384 -6.327 2.689
79 HD13 LEU 35 HD13 LEU 35 11.544 -7.801 2.206
80 HD21 LEU 35 HD21 LEU 35 11.898 -8.692 -0.146
81 HD22 LEU 35 HD22 LEU 35 13.104 -7.930 -1.184
82 HD23 LEU 35 HD23 LEU 35 11.586 -7.101 -0.841
83 H PHE 36 HN PHE 36 13.333 -3.166 1.556
84 HA PHE 36 HA PHE 36 11.101 -3.371 3.173
85 HB2 PHE 36 HB2 PHE 36 13.000 -1.069 2.737
86 HB3 PHE 36 HB1 PHE 36 11.746 -1.048 3.970
87 HD1 PHE 36 HD1 PHE 36 14.766 -2.858 2.833
88 HD2 PHE 36 HD2 PHE 36 12.070 -2.102 6.038
89 HE1 PHE 36 HE1 PHE 36 16.277 -4.035 4.376
90 HE2 PHE 36 HE2 PHE 36 13.578 -3.276 7.588
91 HZ PHE 36 HZ PHE 36 15.682 -4.245 6.759
92 H SER 37 HN SER 37 11.537 -1.470 0.264
93 HA SER 37 HA SER 37 9.273 0.210 0.649
94 HB2 SER 37 HB2 SER 37 9.647 0.984 -1.562
95 HB3 SER 37 HB1 SER 37 11.242 0.641 -0.894
96 HG SER 37 HG SER 37 9.738 -0.995 -2.655
97 H PHE 38 HN PHE 38 9.718 -2.987 -0.685
98 HA PHE 38 HA PHE 38 7.359 -3.178 -2.189
99 HB2 PHE 38 HB2 PHE 38 9.173 -5.149 -0.894
100 HB3 PHE 38 HB1 PHE 38 7.608 -5.713 -1.463
101 HD1 PHE 38 HD1 PHE 38 7.015 -5.254 -3.907
102 HD2 PHE 38 HD2 PHE 38 10.964 -4.933 -2.356
103 HE1 PHE 38 HE1 PHE 38 7.921 -5.454 -6.187
104 HE2 PHE 38 HE2 PHE 38 11.878 -5.133 -4.631
105 HZ PHE 38 HZ PHE 38 10.347 -5.396 -6.554
106 H LEU 39 HN LEU 39 7.980 -3.556 1.238
107 HA LEU 39 HA LEU 39 5.329 -4.510 1.837
108 HB2 LEU 39 HB2 LEU 39 7.665 -3.616 3.505
109 HB3 LEU 39 HB1 LEU 39 6.103 -3.940 4.232
110 HG LEU 39 HG LEU 39 6.224 -6.261 3.290
111 HD11 LEU 39 HD11 LEU 39 8.417 -7.095 2.589
112 HD12 LEU 39 HD12 LEU 39 9.061 -5.455 2.664
113 HD13 LEU 39 HD13 LEU 39 7.805 -5.857 1.492
114 HD21 LEU 39 HD21 LEU 39 8.451 -5.446 5.152
115 HD22 LEU 39 HD22 LEU 39 7.792 -7.072 4.971
116 HD23 LEU 39 HD23 LEU 39 6.783 -5.777 5.616
117 H ILE 40 HN ILE 40 6.883 -1.490 1.419
118 HA ILE 40 HA ILE 40 5.006 0.091 2.913
119 HB ILE 40 HB ILE 40 7.116 0.838 0.884
120 HG12 ILE 40 HG12 ILE 40 7.019 1.241 3.882
121 HG13 ILE 40 HG11 ILE 40 7.886 -0.063 3.078
122 HG21 ILE 40 HG21 ILE 40 5.428 2.670 2.586
123 HG22 ILE 40 HG22 ILE 40 5.323 2.491 0.835
124 HG23 ILE 40 HG23 ILE 40 6.782 3.159 1.565
125 HD11 ILE 40 HD11 ILE 40 9.294 1.588 1.945
126 HD12 ILE 40 HD12 ILE 40 9.396 1.717 3.701
127 HD13 ILE 40 HD13 ILE 40 8.436 2.880 2.786
128 H VAL 41 HN VAL 41 5.378 -1.000 -0.388
129 HA VAL 41 HA VAL 41 3.241 0.692 -1.377
130 HB VAL 41 HB VAL 41 4.772 -1.516 -2.766
131 HG11 VAL 41 HG11 VAL 41 2.606 -1.142 -3.803
132 HG12 VAL 41 HG12 VAL 41 3.894 -0.526 -4.837
133 HG13 VAL 41 HG13 VAL 41 2.920 0.591 -3.880
134 HG21 VAL 41 HG21 VAL 41 6.204 0.348 -2.096
135 HG22 VAL 41 HG22 VAL 41 5.116 1.479 -2.901
136 HG23 VAL 41 HG23 VAL 41 6.009 0.289 -3.848
137 H ALA 42 HN ALA 42 3.732 -2.619 -0.365
138 HA ALA 42 HA ALA 42 1.393 -3.743 -1.463
139 HB1 ALA 42 HB1 ALA 42 1.731 -5.548 0.173
140 HB2 ALA 42 HB2 ALA 42 2.957 -4.569 0.981
141 HB3 ALA 42 HB3 ALA 42 3.221 -5.126 -0.672
142 H GLY 43 HN GLY 43 2.043 -2.242 1.686
143 HA2 GLY 43 HA2 GLY 43 -0.505 -2.763 2.802
144 HA3 GLY 43 HA1 GLY 43 0.628 -1.539 3.356
145 H ALA 44 HN ALA 44 0.737 -0.097 0.863
146 HA ALA 44 HA ALA 44 -1.448 1.654 1.251
147 HB1 ALA 44 HB1 ALA 44 -0.593 2.854 -0.692
148 HB2 ALA 44 HB2 ALA 44 0.455 1.491 -1.085
149 HB3 ALA 44 HB3 ALA 44 0.719 2.406 0.400
150 H THR 45 HN THR 45 -0.753 -0.788 -1.224
151 HA THR 45 HA THR 45 -3.081 -0.254 -2.771
152 HB THR 45 HB THR 45 -2.607 -2.435 -3.862
153 HG1 THR 45 HG1 THR 45 -0.397 -2.561 -2.067
154 HG21 THR 45 HG21 THR 45 -0.197 -0.653 -3.492
155 HG22 THR 45 HG22 THR 45 -1.503 -0.401 -4.651
156 HG23 THR 45 HG23 THR 45 -0.438 -1.798 -4.812
157 H THR 46 HN THR 46 -2.316 -2.550 -0.197
158 HA THR 46 HA THR 46 -4.678 -4.078 -0.355
159 HB THR 46 HB THR 46 -2.979 -3.519 2.090
160 HG1 THR 46 HG1 THR 46 -2.319 -4.763 -0.108
161 HG21 THR 46 HG21 THR 46 -4.936 -5.747 1.513
162 HG22 THR 46 HG22 THR 46 -5.163 -4.440 2.676
163 HG23 THR 46 HG23 THR 46 -3.895 -5.639 2.931
164 H LEU 47 HN LEU 47 -3.900 -1.063 1.269
165 HA LEU 47 HA LEU 47 -6.279 -0.905 2.814
166 HB2 LEU 47 HB2 LEU 47 -4.169 0.350 3.275
167 HB3 LEU 47 HB1 LEU 47 -4.490 1.340 1.867
168 HG LEU 47 HG LEU 47 -5.062 2.301 4.172
169 HD11 LEU 47 HD11 LEU 47 -5.776 3.264 2.018
170 HD12 LEU 47 HD12 LEU 47 -6.948 3.517 3.311
171 HD13 LEU 47 HD13 LEU 47 -7.237 2.279 2.089
172 HD21 LEU 47 HD21 LEU 47 -7.468 0.514 3.833
173 HD22 LEU 47 HD22 LEU 47 -7.224 1.724 5.093
174 HD23 LEU 47 HD23 LEU 47 -6.195 0.293 5.033
175 H PHE 48 HN PHE 48 -5.297 0.463 -0.308
176 HA PHE 48 HA PHE 48 -7.696 1.872 -0.804
177 HB2 PHE 48 HB2 PHE 48 -5.544 2.290 -1.989
178 HB3 PHE 48 HB1 PHE 48 -5.738 0.752 -2.822
179 HD1 PHE 48 HD1 PHE 48 -7.051 4.166 -2.479
180 HD2 PHE 48 HD2 PHE 48 -7.243 0.513 -4.655
181 HE1 PHE 48 HE1 PHE 48 -8.353 5.287 -4.239
182 HE2 PHE 48 HE2 PHE 48 -8.546 1.627 -6.419
183 HZ PHE 48 HZ PHE 48 -9.102 4.018 -6.213
184 H CYS 49 HN CYS 49 -6.661 -1.410 -1.425
185 HA CYS 49 HA CYS 49 -8.963 -2.074 -3.027
186 HB2 CYS 49 HB2 CYS 49 -6.700 -3.700 -1.873
187 HB3 CYS 49 HB1 CYS 49 -8.021 -4.427 -2.778
188 HG CYS 49 HG CYS 49 -6.024 -1.984 -4.092
189 H LEU 50 HN LEU 50 -8.130 -2.086 0.312
190 HA LEU 50 HA LEU 50 -9.794 -4.114 1.287
191 HB2 LEU 50 HB2 LEU 50 -7.997 -2.529 2.429
192 HB3 LEU 50 HB1 LEU 50 -9.428 -1.622 2.872
193 HG LEU 50 HG LEU 50 -10.340 -3.719 3.911
194 HD11 LEU 50 HD11 LEU 50 -9.030 -5.361 2.722
195 HD12 LEU 50 HD12 LEU 50 -8.702 -5.487 4.450
196 HD13 LEU 50 HD13 LEU 50 -7.536 -4.698 3.385
197 HD21 LEU 50 HD21 LEU 50 -7.731 -2.656 4.986
198 HD22 LEU 50 HD22 LEU 50 -8.933 -3.556 5.911
199 HD23 LEU 50 HD23 LEU 50 -9.331 -1.967 5.260
200 H LEU 51 HN LEU 51 -10.437 -0.602 1.307
201 HA LEU 51 HA LEU 51 -13.187 -0.949 1.968
202 HB2 LEU 51 HB2 LEU 51 -11.889 1.508 0.802
203 HB3 LEU 51 HB1 LEU 51 -13.372 1.432 1.732
204 HG LEU 51 HG LEU 51 -10.599 0.874 2.788
205 HD11 LEU 51 HD11 LEU 51 -10.989 3.234 2.323
206 HD12 LEU 51 HD12 LEU 51 -10.921 2.933 4.059
207 HD13 LEU 51 HD13 LEU 51 -12.477 3.182 3.269
208 HD21 LEU 51 HD21 LEU 51 -11.711 0.815 4.990
209 HD22 LEU 51 HD22 LEU 51 -12.226 -0.500 3.932
210 HD23 LEU 51 HD23 LEU 51 -13.275 0.896 4.178
211 H HIS 52 HN HIS 52 -11.419 -0.771 -1.013
212 HA HIS 52 HA HIS 52 -13.565 -0.013 -2.698
213 HB2 HIS 52 HB2 HIS 52 -11.102 0.079 -3.266
214 HB3 HIS 52 HB1 HIS 52 -11.165 -1.665 -3.494
215 HD1 HIS 52 HD1 HIS 52 -12.300 1.556 -5.032
216 HD2 HIS 52 HD2 HIS 52 -12.380 -2.516 -5.857
217 HE1 HIS 52 HE1 HIS 52 -13.038 1.370 -7.429
218 HE2 HIS 52 HE2 HIS 52 -12.982 -1.097 -7.935
219 H PHE 53 HN PHE 53 -12.950 -2.864 -1.007
220 HA PHE 53 HA PHE 53 -13.873 -4.852 -2.742
221 HB2 PHE 53 HB2 PHE 53 -12.770 -5.318 -0.586
222 HB3 PHE 53 HB1 PHE 53 -14.182 -4.705 0.266
223 HD1 PHE 53 HD1 PHE 53 -12.925 -7.419 -1.885
224 HD2 PHE 53 HD2 PHE 53 -16.111 -6.041 0.577
225 HE1 PHE 53 HE1 PHE 53 -13.922 -9.668 -1.921
226 HE2 PHE 53 HE2 PHE 53 -17.112 -8.288 0.547
227 HZ PHE 53 HZ PHE 53 -16.013 -10.108 -0.711
228 H GLY 54 HN GLY 54 -15.554 -2.331 -1.120
229 HA2 GLY 54 HA2 GLY 54 -17.766 -1.761 -1.967
230 HA3 GLY 54 HA1 GLY 54 -18.114 -3.484 -2.038
231 H VAL 55 HN VAL 55 -16.390 -2.184 0.664
232 HA VAL 55 HA VAL 55 -18.480 -3.030 2.460
233 HB VAL 55 HB VAL 55 -15.688 -2.754 2.635
234 HG11 VAL 55 HG11 VAL 55 -17.068 -1.018 4.667
235 HG12 VAL 55 HG12 VAL 55 -15.991 -0.460 3.387
236 HG13 VAL 55 HG13 VAL 55 -15.367 -1.481 4.683
237 HG21 VAL 55 HG21 VAL 55 -17.009 -4.582 3.544
238 HG22 VAL 55 HG22 VAL 55 -17.720 -3.493 4.737
239 HG23 VAL 55 HG23 VAL 55 -15.996 -3.865 4.799
240 H ILE 56 HN ILE 56 -17.364 -0.070 1.079
241 HA ILE 56 HA ILE 56 -19.534 1.364 2.372
242 HB ILE 56 HB ILE 56 -17.961 3.292 2.901
243 HG12 ILE 56 HG12 ILE 56 -15.978 1.069 2.443
244 HG13 ILE 56 HG11 ILE 56 -15.972 2.697 1.775
245 HG21 ILE 56 HG21 ILE 56 -17.689 0.775 4.536
246 HG22 ILE 56 HG22 ILE 56 -19.045 1.900 4.602
247 HG23 ILE 56 HG23 ILE 56 -17.438 2.423 5.107
248 HD11 ILE 56 HD11 ILE 56 -15.530 3.545 4.084
249 HD12 ILE 56 HD12 ILE 56 -14.243 2.558 3.391
250 HD13 ILE 56 HD13 ILE 56 -15.333 1.866 4.592
251 H GLY 57 HN GLY 57 -20.544 1.854 0.488
252 HA2 GLY 57 HA2 GLY 57 -19.291 2.559 -1.925
253 HA3 GLY 57 HA1 GLY 57 -20.956 2.935 -1.499
254 HA PRO 58 HA PRO 58 -18.410 6.871 -1.584
255 HB2 PRO 58 HB2 PRO 58 -19.665 8.147 -3.602
256 HB3 PRO 58 HB1 PRO 58 -18.341 7.010 -3.884
257 HG2 PRO 58 HG2 PRO 58 -21.293 6.579 -4.129
258 HG3 PRO 58 HG1 PRO 58 -19.991 6.039 -5.203
259 HD2 PRO 58 HD2 PRO 58 -21.180 4.426 -3.348
260 HD3 PRO 58 HD1 PRO 58 -19.506 4.213 -3.901
261 H GLN 59 HN GLN 59 -20.945 5.912 -0.204
262 HA GLN 59 HA GLN 59 -22.630 6.753 1.063
263 HB2 GLN 59 HB2 GLN 59 -21.075 9.325 0.754
264 HB3 GLN 59 HB1 GLN 59 -22.315 9.017 1.962
265 HG2 GLN 59 HG2 GLN 59 -20.927 7.227 2.905
266 HG3 GLN 59 HG1 GLN 59 -19.678 7.587 1.714
267 HE21 GLN 59 HE21 GLN 59 -19.583 7.688 4.633
268 HE22 GLN 59 HE22 GLN 59 -19.117 9.302 5.038
269 H ARG 60 HN ARG 60 -22.986 6.714 -1.804
270 HA ARG 60 HA ARG 60 -24.898 8.935 -2.097
271 HB2 ARG 60 HB2 ARG 60 -22.849 8.815 -3.668
272 HB3 ARG 60 HB1 ARG 60 -23.680 7.459 -4.419
273 HG2 ARG 60 HG2 ARG 60 -25.041 10.100 -4.072
274 HG3 ARG 60 HG1 ARG 60 -23.963 9.797 -5.435
275 HD2 ARG 60 HD2 ARG 60 -25.332 7.868 -6.078
276 HD3 ARG 60 HD1 ARG 60 -26.410 8.184 -4.720
277 HE ARG 60 HE ARG 60 -26.331 10.518 -6.182
278 HH11 ARG 60 HH11 ARG 60 -27.248 7.205 -6.751
279 HH12 ARG 60 HH12 ARG 60 -28.450 7.607 -7.932
280 HH21 ARG 60 HH21 ARG 60 -27.909 11.055 -7.735
281 HH22 ARG 60 HH22 ARG 60 -28.825 9.796 -8.493
Start of MODEL 16
1 H1 ARG 28 HT1 ARG 28 24.285 6.739 -9.054
2 H2 ARG 28 HT2 ARG 28 23.019 5.644 -9.295
3 H3 ARG 28 HT3 ARG 28 24.615 5.089 -9.231
4 HA ARG 28 HA ARG 28 24.797 5.741 -6.928
5 HB2 ARG 28 HB2 ARG 28 22.891 7.523 -7.399
6 HB3 ARG 28 HB1 ARG 28 21.850 6.227 -6.830
7 HG2 ARG 28 HG2 ARG 28 24.195 7.283 -5.271
8 HG3 ARG 28 HG1 ARG 28 22.545 7.878 -5.090
9 HD2 ARG 28 HD2 ARG 28 21.806 5.633 -4.460
10 HD3 ARG 28 HD1 ARG 28 23.454 5.036 -4.648
11 HE ARG 28 HE ARG 28 23.655 7.089 -2.852
12 HH11 ARG 28 HH11 ARG 28 21.828 4.126 -3.025
13 HH12 ARG 28 HH12 ARG 28 21.775 3.910 -1.307
14 HH21 ARG 28 HH21 ARG 28 23.591 6.810 -0.593
15 HH22 ARG 28 HH22 ARG 28 22.774 5.436 0.075
16 H ARG 29 HN ARG 29 25.106 3.739 -6.225
17 HA ARG 29 HA ARG 29 23.522 1.524 -6.960
18 HB2 ARG 29 HB2 ARG 29 25.559 1.869 -4.757
19 HB3 ARG 29 HB1 ARG 29 24.821 0.327 -5.169
20 HG2 ARG 29 HG2 ARG 29 26.399 2.006 -7.103
21 HG3 ARG 29 HG1 ARG 29 27.077 0.687 -6.148
22 HD2 ARG 29 HD2 ARG 29 25.427 -0.845 -7.177
23 HD3 ARG 29 HD1 ARG 29 24.867 0.484 -8.190
24 HE ARG 29 HE ARG 29 27.607 0.268 -8.573
25 HH11 ARG 29 HH11 ARG 29 24.756 -1.667 -9.100
26 HH12 ARG 29 HH12 ARG 29 25.422 -2.509 -10.458
27 HH21 ARG 29 HH21 ARG 29 28.490 -0.835 -10.362
28 HH22 ARG 29 HH22 ARG 29 27.544 -2.036 -11.177
29 H CYS 30 HN CYS 30 21.599 0.946 -6.247
30 HA CYS 30 HA CYS 30 20.870 1.523 -3.457
31 HB2 CYS 30 HB2 CYS 30 19.054 1.869 -5.854
32 HB3 CYS 30 HB1 CYS 30 18.588 2.085 -4.170
33 HG CYS 30 HG CYS 30 20.411 4.251 -3.807
34 H LEU 31 HN LEU 31 19.710 -0.063 -2.421
35 HA LEU 31 HA LEU 31 18.584 -2.275 -3.900
36 HB2 LEU 31 HB2 LEU 31 20.946 -2.901 -3.790
37 HB3 LEU 31 HB1 LEU 31 20.927 -2.709 -2.048
38 HG LEU 31 HG LEU 31 19.267 -4.562 -1.908
39 HD11 LEU 31 HD11 LEU 31 18.340 -4.367 -4.158
40 HD12 LEU 31 HD12 LEU 31 18.937 -5.998 -3.849
41 HD13 LEU 31 HD13 LEU 31 19.880 -4.885 -4.842
42 HD21 LEU 31 HD21 LEU 31 20.876 -6.350 -2.355
43 HD22 LEU 31 HD22 LEU 31 21.639 -4.981 -1.548
44 HD23 LEU 31 HD23 LEU 31 21.871 -5.225 -3.280
45 H PHE 32 HN PHE 32 19.645 -1.221 -0.666
46 HA PHE 32 HA PHE 32 17.401 -2.576 0.576
47 HB2 PHE 32 HB2 PHE 32 19.465 -0.772 1.851
48 HB3 PHE 32 HB1 PHE 32 18.369 -1.870 2.682
49 HD1 PHE 32 HD1 PHE 32 18.581 -4.382 2.057
50 HD2 PHE 32 HD2 PHE 32 21.596 -1.470 1.323
51 HE1 PHE 32 HE1 PHE 32 20.270 -6.169 1.926
52 HE2 PHE 32 HE2 PHE 32 23.289 -3.250 1.190
53 HZ PHE 32 HZ PHE 32 22.626 -5.602 1.492
54 H LEU 33 HN LEU 33 18.037 0.467 -0.769
55 HA LEU 33 HA LEU 33 16.239 1.959 0.916
56 HB2 LEU 33 HB2 LEU 33 17.606 2.675 -1.674
57 HB3 LEU 33 HB1 LEU 33 16.612 3.782 -0.748
58 HG LEU 33 HG LEU 33 19.187 2.518 0.196
59 HD11 LEU 33 HD11 LEU 33 20.056 4.817 0.076
60 HD12 LEU 33 HD12 LEU 33 18.538 5.334 -0.658
61 HD13 LEU 33 HD13 LEU 33 19.582 4.191 -1.503
62 HD21 LEU 33 HD21 LEU 33 17.661 2.872 2.047
63 HD22 LEU 33 HD22 LEU 33 17.375 4.531 1.523
64 HD23 LEU 33 HD23 LEU 33 18.969 4.053 2.105
65 HA PRO 34 HA PRO 34 13.442 1.777 -3.027
66 HB2 PRO 34 HB2 PRO 34 13.924 -0.190 -4.829
67 HB3 PRO 34 HB1 PRO 34 14.656 1.415 -4.942
68 HG2 PRO 34 HG2 PRO 34 15.820 -1.126 -3.867
69 HG3 PRO 34 HG1 PRO 34 16.568 0.088 -4.923
70 HD2 PRO 34 HD2 PRO 34 17.047 -0.017 -2.265
71 HD3 PRO 34 HD1 PRO 34 17.031 1.510 -3.168
72 H LEU 35 HN LEU 35 14.723 -1.183 -1.642
73 HA LEU 35 HA LEU 35 12.508 -2.856 -2.036
74 HB2 LEU 35 HB2 LEU 35 14.924 -3.310 -1.099
75 HB3 LEU 35 HB1 LEU 35 14.157 -3.032 0.450
76 HG LEU 35 HG LEU 35 14.330 -5.428 -0.140
77 HD11 LEU 35 HD11 LEU 35 12.579 -4.634 1.380
78 HD12 LEU 35 HD12 LEU 35 12.062 -6.036 0.445
79 HD13 LEU 35 HD13 LEU 35 11.494 -4.426 0.006
80 HD21 LEU 35 HD21 LEU 35 12.372 -4.748 -2.329
81 HD22 LEU 35 HD22 LEU 35 12.930 -6.361 -1.887
82 HD23 LEU 35 HD23 LEU 35 14.061 -5.192 -2.567
83 H PHE 36 HN PHE 36 13.302 -0.634 0.606
84 HA PHE 36 HA PHE 36 11.195 -1.251 2.330
85 HB2 PHE 36 HB2 PHE 36 13.185 0.215 2.829
86 HB3 PHE 36 HB1 PHE 36 12.391 1.497 1.922
87 HD1 PHE 36 HD1 PHE 36 11.761 -0.840 4.756
88 HD2 PHE 36 HD2 PHE 36 11.052 2.994 3.049
89 HE1 PHE 36 HE1 PHE 36 10.546 -0.165 6.785
90 HE2 PHE 36 HE2 PHE 36 9.835 3.676 5.076
91 HZ PHE 36 HZ PHE 36 9.590 2.099 6.951
92 H SER 37 HN SER 37 11.197 0.460 -0.674
93 HA SER 37 HA SER 37 8.734 1.864 -0.254
94 HB2 SER 37 HB2 SER 37 10.041 1.182 -2.884
95 HB3 SER 37 HB1 SER 37 8.866 2.456 -2.585
96 HG SER 37 HG SER 37 11.015 3.255 -2.654
97 H PHE 38 HN PHE 38 9.671 -1.102 -1.963
98 HA PHE 38 HA PHE 38 7.093 -1.761 -2.899
99 HB2 PHE 38 HB2 PHE 38 9.505 -3.467 -2.336
100 HB3 PHE 38 HB1 PHE 38 8.046 -4.084 -3.099
101 HD1 PHE 38 HD1 PHE 38 7.371 -3.220 -5.328
102 HD2 PHE 38 HD2 PHE 38 11.107 -2.226 -3.551
103 HE1 PHE 38 HE1 PHE 38 8.220 -2.508 -7.523
104 HE2 PHE 38 HE2 PHE 38 11.963 -1.511 -5.743
105 HZ PHE 38 HZ PHE 38 10.521 -1.651 -7.733
106 H LEU 39 HN LEU 39 8.768 -2.290 0.095
107 HA LEU 39 HA LEU 39 6.924 -4.174 1.193
108 HB2 LEU 39 HB2 LEU 39 9.323 -3.884 1.867
109 HB3 LEU 39 HB1 LEU 39 8.876 -2.371 2.622
110 HG LEU 39 HG LEU 39 9.145 -4.354 4.162
111 HD11 LEU 39 HD11 LEU 39 6.438 -3.054 4.203
112 HD12 LEU 39 HD12 LEU 39 7.929 -2.277 4.734
113 HD13 LEU 39 HD13 LEU 39 7.330 -3.709 5.576
114 HD21 LEU 39 HD21 LEU 39 8.051 -6.018 2.727
115 HD22 LEU 39 HD22 LEU 39 6.514 -5.181 2.939
116 HD23 LEU 39 HD23 LEU 39 7.307 -5.932 4.323
117 H ILE 40 HN ILE 40 7.306 -0.688 1.259
118 HA ILE 40 HA ILE 40 5.197 -0.250 3.157
119 HB ILE 40 HB ILE 40 7.252 1.312 1.929
120 HG12 ILE 40 HG12 ILE 40 5.291 1.975 4.132
121 HG13 ILE 40 HG11 ILE 40 6.797 1.086 4.336
122 HG21 ILE 40 HG21 ILE 40 4.534 2.608 1.787
123 HG22 ILE 40 HG22 ILE 40 5.539 2.157 0.410
124 HG23 ILE 40 HG23 ILE 40 6.082 3.411 1.523
125 HD11 ILE 40 HD11 ILE 40 8.022 3.088 3.544
126 HD12 ILE 40 HD12 ILE 40 7.126 3.344 5.042
127 HD13 ILE 40 HD13 ILE 40 6.490 3.963 3.516
128 H VAL 41 HN VAL 41 5.452 -0.536 -0.291
129 HA VAL 41 HA VAL 41 2.916 0.713 -0.839
130 HB VAL 41 HB VAL 41 5.024 0.525 -2.372
131 HG11 VAL 41 HG11 VAL 41 3.492 -1.945 -3.111
132 HG12 VAL 41 HG12 VAL 41 5.102 -1.891 -2.401
133 HG13 VAL 41 HG13 VAL 41 4.833 -1.253 -4.021
134 HG21 VAL 41 HG21 VAL 41 3.578 0.836 -4.338
135 HG22 VAL 41 HG22 VAL 41 3.016 1.757 -2.943
136 HG23 VAL 41 HG23 VAL 41 2.202 0.260 -3.398
137 H ALA 42 HN ALA 42 4.136 -2.505 -0.347
138 HA ALA 42 HA ALA 42 2.048 -4.007 -1.424
139 HB1 ALA 42 HB1 ALA 42 4.172 -4.973 -0.665
140 HB2 ALA 42 HB2 ALA 42 2.783 -5.809 0.030
141 HB3 ALA 42 HB3 ALA 42 3.704 -4.666 1.008
142 H GLY 43 HN GLY 43 2.359 -2.454 1.731
143 HA2 GLY 43 HA2 GLY 43 -0.138 -3.553 2.693
144 HA3 GLY 43 HA1 GLY 43 0.883 -2.392 3.526
145 H ALA 44 HN ALA 44 0.933 -0.599 1.167
146 HA ALA 44 HA ALA 44 -1.336 0.976 1.845
147 HB1 ALA 44 HB1 ALA 44 0.775 1.990 1.163
148 HB2 ALA 44 HB2 ALA 44 -0.541 2.507 0.109
149 HB3 ALA 44 HB3 ALA 44 0.605 1.286 -0.445
150 H THR 45 HN THR 45 -0.735 -1.448 -0.536
151 HA THR 45 HA THR 45 -2.881 -0.662 -2.290
152 HB THR 45 HB THR 45 -2.452 -2.908 -3.361
153 HG1 THR 45 HG1 THR 45 -1.167 -4.263 -2.375
154 HG21 THR 45 HG21 THR 45 -0.312 -2.242 -4.333
155 HG22 THR 45 HG22 THR 45 -0.064 -1.093 -3.019
156 HG23 THR 45 HG23 THR 45 -1.383 -0.851 -4.164
157 H THR 46 HN THR 46 -2.523 -2.620 0.525
158 HA THR 46 HA THR 46 -4.802 -4.285 0.138
159 HB THR 46 HB THR 46 -3.461 -3.528 2.744
160 HG1 THR 46 HG1 THR 46 -2.872 -5.463 0.768
161 HG21 THR 46 HG21 THR 46 -4.388 -5.661 3.548
162 HG22 THR 46 HG22 THR 46 -5.211 -5.877 2.004
163 HG23 THR 46 HG23 THR 46 -5.658 -4.538 3.062
164 H LEU 47 HN LEU 47 -4.267 -1.110 1.499
165 HA LEU 47 HA LEU 47 -6.852 -0.922 2.740
166 HB2 LEU 47 HB2 LEU 47 -4.917 0.317 3.597
167 HB3 LEU 47 HB1 LEU 47 -4.817 1.213 2.094
168 HG LEU 47 HG LEU 47 -7.083 2.155 2.576
169 HD11 LEU 47 HD11 LEU 47 -7.923 1.996 4.874
170 HD12 LEU 47 HD12 LEU 47 -6.656 0.830 5.249
171 HD13 LEU 47 HD13 LEU 47 -7.903 0.427 4.069
172 HD21 LEU 47 HD21 LEU 47 -4.968 2.664 4.665
173 HD22 LEU 47 HD22 LEU 47 -6.297 3.745 4.246
174 HD23 LEU 47 HD23 LEU 47 -5.035 3.400 3.064
175 H PHE 48 HN PHE 48 -5.396 0.147 -0.290
176 HA PHE 48 HA PHE 48 -7.452 1.824 -1.180
177 HB2 PHE 48 HB2 PHE 48 -5.202 1.659 -2.225
178 HB3 PHE 48 HB1 PHE 48 -5.644 0.083 -2.871
179 HD1 PHE 48 HD1 PHE 48 -6.214 3.696 -3.104
180 HD2 PHE 48 HD2 PHE 48 -7.118 -0.123 -4.750
181 HE1 PHE 48 HE1 PHE 48 -7.168 4.785 -5.093
182 HE2 PHE 48 HE2 PHE 48 -8.072 0.959 -6.744
183 HZ PHE 48 HZ PHE 48 -8.085 3.421 -6.921
184 H CYS 49 HN CYS 49 -6.914 -1.639 -1.803
185 HA CYS 49 HA CYS 49 -9.349 -1.959 -3.255
186 HB2 CYS 49 HB2 CYS 49 -7.422 -3.442 -3.612
187 HB3 CYS 49 HB1 CYS 49 -7.569 -4.038 -1.963
188 HG CYS 49 HG CYS 49 -10.089 -5.214 -2.403
189 H LEU 50 HN LEU 50 -8.498 -1.988 0.083
190 HA LEU 50 HA LEU 50 -10.490 -3.624 1.158
191 HB2 LEU 50 HB2 LEU 50 -8.455 -2.251 2.218
192 HB3 LEU 50 HB1 LEU 50 -9.754 -1.146 2.620
193 HG LEU 50 HG LEU 50 -10.930 -3.082 3.729
194 HD11 LEU 50 HD11 LEU 50 -9.778 -4.902 2.618
195 HD12 LEU 50 HD12 LEU 50 -9.537 -5.003 4.362
196 HD13 LEU 50 HD13 LEU 50 -8.245 -4.394 3.327
197 HD21 LEU 50 HD21 LEU 50 -8.228 -2.286 4.807
198 HD22 LEU 50 HD22 LEU 50 -9.551 -2.978 5.746
199 HD23 LEU 50 HD23 LEU 50 -9.732 -1.387 5.007
200 H LEU 51 HN LEU 51 -10.529 -0.110 0.584
201 HA LEU 51 HA LEU 51 -13.170 0.298 1.486
202 HB2 LEU 51 HB2 LEU 51 -11.537 1.903 -0.481
203 HB3 LEU 51 HB1 LEU 51 -13.031 2.443 0.260
204 HG LEU 51 HG LEU 51 -10.486 1.814 1.760
205 HD11 LEU 51 HD11 LEU 51 -10.267 3.806 0.361
206 HD12 LEU 51 HD12 LEU 51 -10.306 4.222 2.075
207 HD13 LEU 51 HD13 LEU 51 -11.737 4.470 1.075
208 HD21 LEU 51 HD21 LEU 51 -13.124 2.965 2.660
209 HD22 LEU 51 HD22 LEU 51 -11.657 2.928 3.638
210 HD23 LEU 51 HD23 LEU 51 -12.422 1.419 3.139
211 H HIS 52 HN HIS 52 -11.876 -0.855 -1.514
212 HA HIS 52 HA HIS 52 -14.186 -0.333 -3.110
213 HB2 HIS 52 HB2 HIS 52 -11.888 -0.664 -4.032
214 HB3 HIS 52 HB1 HIS 52 -11.993 -2.363 -3.585
215 HD1 HIS 52 HD1 HIS 52 -13.618 -3.855 -4.977
216 HD2 HIS 52 HD2 HIS 52 -13.255 0.052 -6.344
217 HE1 HIS 52 HE1 HIS 52 -14.617 -3.855 -7.285
218 HE2 HIS 52 HE2 HIS 52 -14.331 -1.493 -8.117
219 H PHE 53 HN PHE 53 -13.383 -2.706 -0.785
220 HA PHE 53 HA PHE 53 -14.862 -4.906 -1.725
221 HB2 PHE 53 HB2 PHE 53 -13.217 -5.050 0.106
222 HB3 PHE 53 HB1 PHE 53 -14.284 -4.102 1.136
223 HD1 PHE 53 HD1 PHE 53 -14.010 -7.306 -0.703
224 HD2 PHE 53 HD2 PHE 53 -15.980 -5.124 2.376
225 HE1 PHE 53 HE1 PHE 53 -15.113 -9.373 0.051
226 HE2 PHE 53 HE2 PHE 53 -17.085 -7.187 3.135
227 HZ PHE 53 HZ PHE 53 -16.646 -9.320 1.965
228 H GLY 54 HN GLY 54 -15.866 -1.889 -0.471
229 HA2 GLY 54 HA2 GLY 54 -18.230 -1.351 -0.899
230 HA3 GLY 54 HA1 GLY 54 -18.622 -2.927 -0.230
231 H VAL 55 HN VAL 55 -16.107 -1.461 1.464
232 HA VAL 55 HA VAL 55 -17.587 -1.240 3.845
233 HB VAL 55 HB VAL 55 -14.939 0.060 3.193
234 HG11 VAL 55 HG11 VAL 55 -14.572 0.009 5.619
235 HG12 VAL 55 HG12 VAL 55 -16.205 -0.618 5.846
236 HG13 VAL 55 HG13 VAL 55 -15.965 1.000 5.185
237 HG21 VAL 55 HG21 VAL 55 -13.932 -1.921 4.232
238 HG22 VAL 55 HG22 VAL 55 -14.865 -2.339 2.794
239 HG23 VAL 55 HG23 VAL 55 -15.534 -2.641 4.398
240 H ILE 56 HN ILE 56 -16.739 1.065 1.367
241 HA ILE 56 HA ILE 56 -18.486 3.041 2.661
242 HB ILE 56 HB ILE 56 -17.036 4.841 1.764
243 HG12 ILE 56 HG12 ILE 56 -15.047 2.611 1.290
244 HG13 ILE 56 HG11 ILE 56 -15.948 3.425 0.015
245 HG21 ILE 56 HG21 ILE 56 -16.892 4.157 4.101
246 HG22 ILE 56 HG22 ILE 56 -15.315 4.654 3.489
247 HG23 ILE 56 HG23 ILE 56 -15.687 2.940 3.677
248 HD11 ILE 56 HD11 ILE 56 -14.883 5.539 0.624
249 HD12 ILE 56 HD12 ILE 56 -13.700 4.305 0.189
250 HD13 ILE 56 HD13 ILE 56 -13.970 4.709 1.884
251 H GLY 57 HN GLY 57 -17.487 1.430 -0.176
252 HA2 GLY 57 HA2 GLY 57 -18.615 1.224 -2.190
253 HA3 GLY 57 HA1 GLY 57 -19.762 2.433 -1.630
254 HA PRO 58 HA PRO 58 -17.094 4.484 -4.791
255 HB2 PRO 58 HB2 PRO 58 -19.030 5.373 -6.415
256 HB3 PRO 58 HB1 PRO 58 -18.456 3.702 -6.490
257 HG2 PRO 58 HG2 PRO 58 -20.924 4.802 -5.210
258 HG3 PRO 58 HG1 PRO 58 -20.717 3.313 -6.149
259 HD2 PRO 58 HD2 PRO 58 -20.780 3.426 -3.394
260 HD3 PRO 58 HD1 PRO 58 -20.013 2.128 -4.328
261 H GLN 59 HN GLN 59 -18.784 5.395 -2.254
262 HA GLN 59 HA GLN 59 -19.246 7.344 -1.174
263 HB2 GLN 59 HB2 GLN 59 -16.788 7.627 -1.796
264 HB3 GLN 59 HB1 GLN 59 -17.340 8.650 -3.113
265 HG2 GLN 59 HG2 GLN 59 -16.860 10.198 -1.497
266 HG3 GLN 59 HG1 GLN 59 -18.583 9.944 -1.235
267 HE21 GLN 59 HE21 GLN 59 -18.135 7.315 0.005
268 HE22 GLN 59 HE22 GLN 59 -17.536 7.642 1.590
269 H ARG 60 HN ARG 60 -20.714 6.609 -3.680
270 HA ARG 60 HA ARG 60 -21.471 9.152 -4.836
271 HB2 ARG 60 HB2 ARG 60 -21.329 7.093 -6.209
272 HB3 ARG 60 HB1 ARG 60 -22.644 6.399 -5.271
273 HG2 ARG 60 HG2 ARG 60 -24.126 8.195 -6.044
274 HG3 ARG 60 HG1 ARG 60 -22.804 8.852 -7.012
275 HD2 ARG 60 HD2 ARG 60 -24.053 6.123 -7.312
276 HD3 ARG 60 HD1 ARG 60 -24.297 7.502 -8.383
277 HE ARG 60 HE ARG 60 -21.633 7.186 -8.463
278 HH11 ARG 60 HH11 ARG 60 -24.261 4.927 -8.839
279 HH12 ARG 60 HH12 ARG 60 -23.386 3.892 -9.917
280 HH21 ARG 60 HH21 ARG 60 -20.476 5.827 -9.880
281 HH22 ARG 60 HH22 ARG 60 -21.235 4.404 -10.507
Start of MODEL 17
1 H1 ARG 28 HT1 ARG 28 27.878 -1.133 -8.749
2 H2 ARG 28 HT2 ARG 28 27.417 -1.098 -7.122
3 H3 ARG 28 HT3 ARG 28 28.935 -0.513 -7.584
4 HA ARG 28 HA ARG 28 27.413 1.293 -7.115
5 HB2 ARG 28 HB2 ARG 28 27.726 2.522 -9.218
6 HB3 ARG 28 HB1 ARG 28 29.176 1.633 -8.772
7 HG2 ARG 28 HG2 ARG 28 28.668 -0.083 -10.397
8 HG3 ARG 28 HG1 ARG 28 27.146 0.713 -10.797
9 HD2 ARG 28 HD2 ARG 28 28.407 2.690 -11.550
10 HD3 ARG 28 HD1 ARG 28 29.913 1.844 -11.198
11 HE ARG 28 HE ARG 28 28.651 0.162 -12.895
12 HH11 ARG 28 HH11 ARG 28 29.403 3.561 -13.023
13 HH12 ARG 28 HH12 ARG 28 29.544 3.598 -14.750
14 HH21 ARG 28 HH21 ARG 28 28.834 0.201 -15.171
15 HH22 ARG 28 HH22 ARG 28 29.220 1.689 -15.969
16 H ARG 29 HN ARG 29 25.745 -1.143 -7.660
17 HA ARG 29 HA ARG 29 23.487 0.240 -8.953
18 HB2 ARG 29 HB2 ARG 29 22.685 -2.000 -9.681
19 HB3 ARG 29 HB1 ARG 29 24.213 -1.534 -10.416
20 HG2 ARG 29 HG2 ARG 29 25.411 -2.942 -8.813
21 HG3 ARG 29 HG1 ARG 29 23.872 -3.418 -8.092
22 HD2 ARG 29 HD2 ARG 29 23.176 -4.405 -10.213
23 HD3 ARG 29 HD1 ARG 29 24.696 -3.904 -10.953
24 HE ARG 29 HE ARG 29 25.354 -5.436 -8.742
25 HH11 ARG 29 HH11 ARG 29 23.658 -5.870 -11.754
26 HH12 ARG 29 HH12 ARG 29 24.060 -7.550 -11.886
27 HH21 ARG 29 HH21 ARG 29 25.887 -7.644 -8.906
28 HH22 ARG 29 HH22 ARG 29 25.327 -8.559 -10.267
29 H CYS 30 HN CYS 30 21.654 0.378 -7.808
30 HA CYS 30 HA CYS 30 21.539 -1.079 -5.252
31 HB2 CYS 30 HB2 CYS 30 19.977 0.743 -4.535
32 HB3 CYS 30 HB1 CYS 30 21.612 1.294 -4.886
33 HG CYS 30 HG CYS 30 18.773 1.832 -6.689
34 H LEU 31 HN LEU 31 20.382 -2.881 -5.603
35 HA LEU 31 HA LEU 31 17.774 -2.595 -6.945
36 HB2 LEU 31 HB2 LEU 31 19.597 -4.992 -6.767
37 HB3 LEU 31 HB1 LEU 31 17.953 -5.062 -7.372
38 HG LEU 31 HG LEU 31 18.710 -3.299 -9.090
39 HD11 LEU 31 HD11 LEU 31 21.390 -4.327 -8.173
40 HD12 LEU 31 HD12 LEU 31 20.801 -2.669 -8.050
41 HD13 LEU 31 HD13 LEU 31 21.106 -3.381 -9.634
42 HD21 LEU 31 HD21 LEU 31 19.820 -6.102 -9.198
43 HD22 LEU 31 HD22 LEU 31 19.574 -5.034 -10.580
44 HD23 LEU 31 HD23 LEU 31 18.188 -5.612 -9.655
45 H PHE 32 HN PHE 32 19.411 -3.407 -4.058
46 HA PHE 32 HA PHE 32 17.134 -4.845 -2.940
47 HB2 PHE 32 HB2 PHE 32 19.916 -4.265 -1.944
48 HB3 PHE 32 HB1 PHE 32 18.672 -4.912 -0.880
49 HD1 PHE 32 HD1 PHE 32 18.361 -7.191 -0.734
50 HD2 PHE 32 HD2 PHE 32 20.361 -5.582 -4.129
51 HE1 PHE 32 HE1 PHE 32 18.880 -9.469 -1.503
52 HE2 PHE 32 HE2 PHE 32 20.881 -7.860 -4.905
53 HZ PHE 32 HZ PHE 32 20.140 -9.807 -3.591
54 H LEU 33 HN LEU 33 17.688 -1.743 -3.508
55 HA LEU 33 HA LEU 33 17.021 -0.668 -0.899
56 HB2 LEU 33 HB2 LEU 33 18.575 0.408 -2.653
57 HB3 LEU 33 HB1 LEU 33 17.101 0.900 -3.461
58 HG LEU 33 HG LEU 33 17.615 1.609 -0.584
59 HD11 LEU 33 HD11 LEU 33 18.492 3.752 -1.351
60 HD12 LEU 33 HD12 LEU 33 18.413 3.195 -3.022
61 HD13 LEU 33 HD13 LEU 33 19.515 2.419 -1.885
62 HD21 LEU 33 HD21 LEU 33 15.334 1.877 -1.357
63 HD22 LEU 33 HD22 LEU 33 15.888 2.803 -2.751
64 HD23 LEU 33 HD23 LEU 33 16.079 3.458 -1.124
65 HA PRO 34 HA PRO 34 12.963 0.409 -3.375
66 HB2 PRO 34 HB2 PRO 34 12.922 -1.681 -5.451
67 HB3 PRO 34 HB1 PRO 34 12.566 0.044 -5.585
68 HG2 PRO 34 HG2 PRO 34 14.802 -1.002 -6.613
69 HG3 PRO 34 HG1 PRO 34 14.784 0.614 -5.887
70 HD2 PRO 34 HD2 PRO 34 15.759 -1.974 -4.733
71 HD3 PRO 34 HD1 PRO 34 16.487 -0.356 -4.645
72 H LEU 35 HN LEU 35 14.251 -2.723 -2.743
73 HA LEU 35 HA LEU 35 11.973 -4.309 -2.619
74 HB2 LEU 35 HB2 LEU 35 14.513 -4.853 -2.279
75 HB3 LEU 35 HB1 LEU 35 14.159 -4.576 -0.587
76 HG LEU 35 HG LEU 35 14.116 -6.971 -1.251
77 HD11 LEU 35 HD11 LEU 35 12.106 -7.540 -0.052
78 HD12 LEU 35 HD12 LEU 35 11.446 -5.929 -0.328
79 HD13 LEU 35 HD13 LEU 35 12.863 -6.135 0.700
80 HD21 LEU 35 HD21 LEU 35 13.194 -6.669 -3.507
81 HD22 LEU 35 HD22 LEU 35 11.648 -6.194 -2.800
82 HD23 LEU 35 HD23 LEU 35 12.262 -7.828 -2.558
83 H PHE 36 HN PHE 36 13.377 -2.170 -0.173
84 HA PHE 36 HA PHE 36 11.658 -2.812 1.943
85 HB2 PHE 36 HB2 PHE 36 13.692 -1.523 2.291
86 HB3 PHE 36 HB1 PHE 36 13.060 -0.206 1.311
87 HD1 PHE 36 HD1 PHE 36 11.985 -2.221 4.265
88 HD2 PHE 36 HD2 PHE 36 12.288 1.618 2.455
89 HE1 PHE 36 HE1 PHE 36 11.013 -1.198 6.281
90 HE2 PHE 36 HE2 PHE 36 11.316 2.649 4.467
91 HZ PHE 36 HZ PHE 36 10.675 1.250 6.377
92 H SER 37 HN SER 37 11.190 -0.816 -0.873
93 HA SER 37 HA SER 37 8.834 0.477 0.159
94 HB2 SER 37 HB2 SER 37 10.166 1.684 -1.451
95 HB3 SER 37 HB1 SER 37 9.975 0.391 -2.627
96 HG SER 37 HG SER 37 7.663 0.839 -2.472
97 H PHE 38 HN PHE 38 9.523 -2.505 -1.387
98 HA PHE 38 HA PHE 38 6.988 -2.886 -2.618
99 HB2 PHE 38 HB2 PHE 38 9.288 -4.633 -1.926
100 HB3 PHE 38 HB1 PHE 38 7.751 -5.403 -2.295
101 HD1 PHE 38 HD1 PHE 38 6.736 -5.119 -4.524
102 HD2 PHE 38 HD2 PHE 38 10.615 -3.627 -3.615
103 HE1 PHE 38 HE1 PHE 38 7.214 -4.912 -6.928
104 HE2 PHE 38 HE2 PHE 38 11.102 -3.415 -6.018
105 HZ PHE 38 HZ PHE 38 9.390 -4.049 -7.679
106 H LEU 39 HN LEU 39 8.257 -3.344 0.583
107 HA LEU 39 HA LEU 39 6.019 -4.881 1.540
108 HB2 LEU 39 HB2 LEU 39 8.356 -3.536 2.878
109 HB3 LEU 39 HB1 LEU 39 7.070 -4.278 3.807
110 HG LEU 39 HG LEU 39 7.575 -6.437 2.603
111 HD11 LEU 39 HD11 LEU 39 10.022 -4.901 1.737
112 HD12 LEU 39 HD12 LEU 39 8.747 -5.516 0.683
113 HD13 LEU 39 HD13 LEU 39 9.782 -6.640 1.563
114 HD21 LEU 39 HD21 LEU 39 8.317 -6.007 4.883
115 HD22 LEU 39 HD22 LEU 39 9.771 -5.217 4.272
116 HD23 LEU 39 HD23 LEU 39 9.520 -6.940 3.993
117 H ILE 40 HN ILE 40 7.000 -1.542 1.413
118 HA ILE 40 HA ILE 40 4.917 -0.577 3.146
119 HB ILE 40 HB ILE 40 7.151 0.595 1.610
120 HG12 ILE 40 HG12 ILE 40 5.896 1.362 4.252
121 HG13 ILE 40 HG11 ILE 40 7.155 0.146 4.065
122 HG21 ILE 40 HG21 ILE 40 6.208 2.905 1.821
123 HG22 ILE 40 HG22 ILE 40 4.634 2.165 2.116
124 HG23 ILE 40 HG23 ILE 40 5.460 1.901 0.578
125 HD11 ILE 40 HD11 ILE 40 8.684 1.839 3.229
126 HD12 ILE 40 HD12 ILE 40 8.053 2.282 4.816
127 HD13 ILE 40 HD13 ILE 40 7.419 3.061 3.366
128 H VAL 41 HN VAL 41 5.572 -0.425 -0.337
129 HA VAL 41 HA VAL 41 3.226 0.845 -1.134
130 HB VAL 41 HB VAL 41 5.450 0.015 -2.435
131 HG11 VAL 41 HG11 VAL 41 4.634 -2.293 -2.526
132 HG12 VAL 41 HG12 VAL 41 4.845 -1.591 -4.129
133 HG13 VAL 41 HG13 VAL 41 3.230 -1.742 -3.437
134 HG21 VAL 41 HG21 VAL 41 4.361 0.831 -4.480
135 HG22 VAL 41 HG22 VAL 41 4.025 1.868 -3.094
136 HG23 VAL 41 HG23 VAL 41 2.797 0.742 -3.672
137 H ALA 42 HN ALA 42 3.826 -2.461 -0.261
138 HA ALA 42 HA ALA 42 1.537 -3.611 -1.471
139 HB1 ALA 42 HB1 ALA 42 3.458 -4.945 -0.747
140 HB2 ALA 42 HB2 ALA 42 1.958 -5.523 -0.021
141 HB3 ALA 42 HB3 ALA 42 3.089 -4.563 0.934
142 H GLY 43 HN GLY 43 2.116 -2.037 1.614
143 HA2 GLY 43 HA2 GLY 43 -0.391 -2.786 2.777
144 HA3 GLY 43 HA1 GLY 43 0.708 -1.551 3.376
145 H ALA 44 HN ALA 44 0.748 -0.054 0.891
146 HA ALA 44 HA ALA 44 -1.465 1.646 1.369
147 HB1 ALA 44 HB1 ALA 44 0.408 1.597 -0.997
148 HB2 ALA 44 HB2 ALA 44 0.681 2.465 0.514
149 HB3 ALA 44 HB3 ALA 44 -0.657 2.927 -0.538
150 H THR 45 HN THR 45 -0.745 -0.720 -1.164
151 HA THR 45 HA THR 45 -3.067 -0.203 -2.709
152 HB THR 45 HB THR 45 -2.591 -2.404 -3.777
153 HG1 THR 45 HG1 THR 45 -0.177 -2.685 -2.462
154 HG21 THR 45 HG21 THR 45 -0.400 -1.774 -4.711
155 HG22 THR 45 HG22 THR 45 -0.210 -0.579 -3.427
156 HG23 THR 45 HG23 THR 45 -1.499 -0.398 -4.617
157 H THR 46 HN THR 46 -2.388 -2.295 0.016
158 HA THR 46 HA THR 46 -4.718 -3.911 -0.182
159 HB THR 46 HB THR 46 -3.061 -3.263 2.269
160 HG1 THR 46 HG1 THR 46 -1.694 -4.698 1.521
161 HG21 THR 46 HG21 THR 46 -4.989 -5.530 1.740
162 HG22 THR 46 HG22 THR 46 -5.258 -4.178 2.842
163 HG23 THR 46 HG23 THR 46 -3.981 -5.348 3.176
164 H LEU 47 HN LEU 47 -3.962 -0.947 1.617
165 HA LEU 47 HA LEU 47 -6.438 -0.791 2.978
166 HB2 LEU 47 HB2 LEU 47 -4.434 0.439 3.690
167 HB3 LEU 47 HB1 LEU 47 -4.515 1.417 2.237
168 HG LEU 47 HG LEU 47 -6.738 2.270 3.009
169 HD11 LEU 47 HD11 LEU 47 -7.343 1.964 5.353
170 HD12 LEU 47 HD12 LEU 47 -5.992 0.849 5.561
171 HD13 LEU 47 HD13 LEU 47 -7.327 0.426 4.489
172 HD21 LEU 47 HD21 LEU 47 -5.806 3.780 4.695
173 HD22 LEU 47 HD22 LEU 47 -4.703 3.566 3.335
174 HD23 LEU 47 HD23 LEU 47 -4.400 2.729 4.859
175 H PHE 48 HN PHE 48 -5.297 0.428 -0.116
176 HA PHE 48 HA PHE 48 -7.602 2.003 -0.689
177 HB2 PHE 48 HB2 PHE 48 -5.416 2.400 -1.765
178 HB3 PHE 48 HB1 PHE 48 -5.533 0.840 -2.567
179 HD1 PHE 48 HD1 PHE 48 -7.081 4.190 -2.335
180 HD2 PHE 48 HD2 PHE 48 -6.709 0.594 -4.581
181 HE1 PHE 48 HE1 PHE 48 -8.254 5.251 -4.220
182 HE2 PHE 48 HE2 PHE 48 -7.879 1.648 -6.470
183 HZ PHE 48 HZ PHE 48 -8.654 3.979 -6.292
184 H CYS 49 HN CYS 49 -6.631 -1.302 -1.338
185 HA CYS 49 HA CYS 49 -8.881 -1.869 -3.040
186 HB2 CYS 49 HB2 CYS 49 -6.675 -3.526 -1.840
187 HB3 CYS 49 HB1 CYS 49 -8.018 -4.280 -2.689
188 HG CYS 49 HG CYS 49 -5.459 -3.818 -4.158
189 H LEU 50 HN LEU 50 -8.211 -1.934 0.331
190 HA LEU 50 HA LEU 50 -10.022 -3.902 1.189
191 HB2 LEU 50 HB2 LEU 50 -8.173 -2.442 2.432
192 HB3 LEU 50 HB1 LEU 50 -9.577 -1.485 2.862
193 HG LEU 50 HG LEU 50 -10.616 -3.565 3.796
194 HD11 LEU 50 HD11 LEU 50 -9.386 -5.242 2.599
195 HD12 LEU 50 HD12 LEU 50 -9.057 -5.427 4.322
196 HD13 LEU 50 HD13 LEU 50 -7.861 -4.666 3.271
197 HD21 LEU 50 HD21 LEU 50 -9.521 -1.902 5.221
198 HD22 LEU 50 HD22 LEU 50 -7.980 -2.730 5.001
199 HD23 LEU 50 HD23 LEU 50 -9.300 -3.537 5.848
200 H LEU 51 HN LEU 51 -10.428 -0.433 0.635
201 HA LEU 51 HA LEU 51 -13.060 -0.231 1.616
202 HB2 LEU 51 HB2 LEU 51 -11.683 1.433 -0.493
203 HB3 LEU 51 HB1 LEU 51 -13.165 1.870 0.336
204 HG LEU 51 HG LEU 51 -10.473 1.515 1.660
205 HD11 LEU 51 HD11 LEU 51 -10.522 3.473 0.221
206 HD12 LEU 51 HD12 LEU 51 -10.527 3.947 1.920
207 HD13 LEU 51 HD13 LEU 51 -12.019 4.012 0.981
208 HD21 LEU 51 HD21 LEU 51 -11.578 2.522 3.611
209 HD22 LEU 51 HD22 LEU 51 -12.304 0.978 3.163
210 HD23 LEU 51 HD23 LEU 51 -13.115 2.488 2.747
211 H HIS 52 HN HIS 52 -11.807 -0.856 -1.641
212 HA HIS 52 HA HIS 52 -14.386 -0.896 -2.863
213 HB2 HIS 52 HB2 HIS 52 -11.701 -1.906 -3.813
214 HB3 HIS 52 HB1 HIS 52 -13.156 -1.894 -4.806
215 HD1 HIS 52 HD1 HIS 52 -13.279 0.068 -6.293
216 HD2 HIS 52 HD2 HIS 52 -11.210 0.926 -2.793
217 HE1 HIS 52 HE1 HIS 52 -12.532 2.459 -6.521
218 HE2 HIS 52 HE2 HIS 52 -11.239 2.941 -4.413
219 H PHE 53 HN PHE 53 -12.752 -3.092 -0.896
220 HA PHE 53 HA PHE 53 -13.466 -5.567 -1.983
221 HB2 PHE 53 HB2 PHE 53 -11.905 -5.125 -0.028
222 HB3 PHE 53 HB1 PHE 53 -13.344 -4.957 0.972
223 HD1 PHE 53 HD1 PHE 53 -11.276 -7.280 -0.959
224 HD2 PHE 53 HD2 PHE 53 -14.659 -6.872 1.590
225 HE1 PHE 53 HE1 PHE 53 -11.315 -9.718 -0.625
226 HE2 PHE 53 HE2 PHE 53 -14.704 -9.308 1.928
227 HZ PHE 53 HZ PHE 53 -13.029 -10.735 0.820
228 H GLY 54 HN GLY 54 -15.363 -3.158 -0.400
229 HA2 GLY 54 HA2 GLY 54 -17.778 -3.288 -0.853
230 HA3 GLY 54 HA1 GLY 54 -17.677 -4.997 -0.455
231 H VAL 55 HN VAL 55 -15.937 -2.611 1.395
232 HA VAL 55 HA VAL 55 -17.234 -3.439 3.804
233 HB VAL 55 HB VAL 55 -15.339 -1.125 3.419
234 HG11 VAL 55 HG11 VAL 55 -16.085 -2.699 5.882
235 HG12 VAL 55 HG12 VAL 55 -16.573 -1.044 5.518
236 HG13 VAL 55 HG13 VAL 55 -14.873 -1.420 5.804
237 HG21 VAL 55 HG21 VAL 55 -14.317 -3.170 2.610
238 HG22 VAL 55 HG22 VAL 55 -14.755 -4.006 4.100
239 HG23 VAL 55 HG23 VAL 55 -13.581 -2.690 4.139
240 H ILE 56 HN ILE 56 -17.070 -0.365 2.057
241 HA ILE 56 HA ILE 56 -19.470 0.509 3.516
242 HB ILE 56 HB ILE 56 -18.771 2.832 2.834
243 HG12 ILE 56 HG12 ILE 56 -16.155 1.437 2.222
244 HG13 ILE 56 HG11 ILE 56 -17.238 2.122 1.016
245 HG21 ILE 56 HG21 ILE 56 -17.109 3.033 4.625
246 HG22 ILE 56 HG22 ILE 56 -16.905 1.281 4.627
247 HG23 ILE 56 HG23 ILE 56 -18.450 1.988 5.096
248 HD11 ILE 56 HD11 ILE 56 -15.376 3.604 1.454
249 HD12 ILE 56 HD12 ILE 56 -15.790 3.648 3.168
250 HD13 ILE 56 HD13 ILE 56 -16.890 4.343 1.977
251 H GLY 57 HN GLY 57 -18.201 -0.273 0.468
252 HA2 GLY 57 HA2 GLY 57 -19.098 -0.281 -1.647
253 HA3 GLY 57 HA1 GLY 57 -20.662 -0.230 -0.849
254 HA PRO 58 HA PRO 58 -20.073 3.808 -3.063
255 HB2 PRO 58 HB2 PRO 58 -21.984 3.604 -4.915
256 HB3 PRO 58 HB1 PRO 58 -20.415 2.815 -5.131
257 HG2 PRO 58 HG2 PRO 58 -23.029 1.639 -4.276
258 HG3 PRO 58 HG1 PRO 58 -21.807 0.974 -5.375
259 HD2 PRO 58 HD2 PRO 58 -22.081 0.282 -2.708
260 HD3 PRO 58 HD1 PRO 58 -20.600 0.075 -3.661
261 H GLN 59 HN GLN 59 -21.758 2.895 -0.693
262 HA GLN 59 HA GLN 59 -23.608 5.148 -0.778
263 HB2 GLN 59 HB2 GLN 59 -24.925 3.188 -1.513
264 HB3 GLN 59 HB1 GLN 59 -24.500 2.358 -0.022
265 HG2 GLN 59 HG2 GLN 59 -25.620 4.203 1.231
266 HG3 GLN 59 HG1 GLN 59 -26.176 4.836 -0.317
267 HE21 GLN 59 HE21 GLN 59 -26.526 2.152 -1.440
268 HE22 GLN 59 HE22 GLN 59 -27.968 1.526 -0.724
269 H ARG 60 HN ARG 60 -23.777 6.188 1.135
270 HA ARG 60 HA ARG 60 -23.095 4.845 3.612
271 HB2 ARG 60 HB2 ARG 60 -21.458 6.702 4.202
272 HB3 ARG 60 HB1 ARG 60 -20.900 5.496 3.053
273 HG2 ARG 60 HG2 ARG 60 -21.294 7.015 1.213
274 HG3 ARG 60 HG1 ARG 60 -21.966 8.215 2.318
275 HD2 ARG 60 HD2 ARG 60 -19.137 7.170 2.320
276 HD3 ARG 60 HD1 ARG 60 -19.660 8.756 1.754
277 HE ARG 60 HE ARG 60 -20.526 8.794 4.273
278 HH11 ARG 60 HH11 ARG 60 -17.461 7.815 2.936
279 HH12 ARG 60 HH12 ARG 60 -16.558 8.259 4.347
280 HH21 ARG 60 HH21 ARG 60 -19.348 9.380 6.133
281 HH22 ARG 60 HH22 ARG 60 -17.632 9.149 6.164
Start of MODEL 18
1 H1 ARG 28 HT1 ARG 28 21.679 7.917 3.298
2 H2 ARG 28 HT2 ARG 28 21.021 9.426 2.910
3 H3 ARG 28 HT3 ARG 28 22.486 8.939 2.219
4 HA ARG 28 HA ARG 28 19.869 7.632 1.780
5 HB2 ARG 28 HB2 ARG 28 20.040 8.560 -0.513
6 HB3 ARG 28 HB1 ARG 28 19.888 9.805 0.719
7 HG2 ARG 28 HG2 ARG 28 22.591 9.000 -0.264
8 HG3 ARG 28 HG1 ARG 28 21.589 10.098 -1.215
9 HD2 ARG 28 HD2 ARG 28 21.396 11.567 0.773
10 HD3 ARG 28 HD1 ARG 28 22.503 10.496 1.633
11 HE ARG 28 HE ARG 28 23.703 11.305 -0.771
12 HH11 ARG 28 HH11 ARG 28 22.745 12.621 2.313
13 HH12 ARG 28 HH12 ARG 28 23.967 13.848 2.312
14 HH21 ARG 28 HH21 ARG 28 25.311 12.919 -0.780
15 HH22 ARG 28 HH22 ARG 28 25.425 14.018 0.554
16 H ARG 29 HN ARG 29 22.121 6.224 2.648
17 HA ARG 29 HA ARG 29 23.686 5.198 0.527
18 HB2 ARG 29 HB2 ARG 29 22.997 3.923 3.182
19 HB3 ARG 29 HB1 ARG 29 24.288 3.407 2.105
20 HG2 ARG 29 HG2 ARG 29 25.407 5.556 2.412
21 HG3 ARG 29 HG1 ARG 29 24.110 6.075 3.491
22 HD2 ARG 29 HD2 ARG 29 24.650 4.226 5.011
23 HD3 ARG 29 HD1 ARG 29 25.957 3.732 3.936
24 HE ARG 29 HE ARG 29 26.385 6.400 4.598
25 HH11 ARG 29 HH11 ARG 29 26.282 3.302 6.192
26 HH12 ARG 29 HH12 ARG 29 27.407 3.757 7.428
27 HH21 ARG 29 HH21 ARG 29 27.869 7.005 6.220
28 HH22 ARG 29 HH22 ARG 29 28.308 5.861 7.445
29 H CYS 30 HN CYS 30 23.276 3.675 -0.957
30 HA CYS 30 HA CYS 30 20.623 2.521 -1.057
31 HB2 CYS 30 HB2 CYS 30 21.343 1.663 -3.271
32 HB3 CYS 30 HB1 CYS 30 21.550 3.404 -3.114
33 HG CYS 30 HG CYS 30 23.858 3.130 -4.251
34 H LEU 31 HN LEU 31 20.099 0.580 -0.326
35 HA LEU 31 HA LEU 31 21.883 -1.661 -0.507
36 HB2 LEU 31 HB2 LEU 31 21.856 -0.118 1.895
37 HB3 LEU 31 HB1 LEU 31 21.118 -1.672 2.229
38 HG LEU 31 HG LEU 31 23.849 -1.306 0.993
39 HD11 LEU 31 HD11 LEU 31 23.816 -0.507 3.291
40 HD12 LEU 31 HD12 LEU 31 24.712 -2.021 3.165
41 HD13 LEU 31 HD13 LEU 31 23.074 -2.017 3.818
42 HD21 LEU 31 HD21 LEU 31 22.433 -3.756 2.041
43 HD22 LEU 31 HD22 LEU 31 24.103 -3.697 1.476
44 HD23 LEU 31 HD23 LEU 31 22.780 -3.395 0.349
45 H PHE 32 HN PHE 32 19.102 -0.652 1.492
46 HA PHE 32 HA PHE 32 17.500 -2.737 0.192
47 HB2 PHE 32 HB2 PHE 32 17.736 -2.313 3.177
48 HB3 PHE 32 HB1 PHE 32 16.517 -3.328 2.413
49 HD1 PHE 32 HD1 PHE 32 19.714 -3.263 3.871
50 HD2 PHE 32 HD2 PHE 32 17.443 -5.190 0.830
51 HE1 PHE 32 HE1 PHE 32 21.273 -5.166 3.916
52 HE2 PHE 32 HE2 PHE 32 18.999 -7.096 0.871
53 HZ PHE 32 HZ PHE 32 20.917 -7.085 2.416
54 H LEU 33 HN LEU 33 17.777 0.355 0.402
55 HA LEU 33 HA LEU 33 15.317 1.245 1.517
56 HB2 LEU 33 HB2 LEU 33 17.281 2.706 1.281
57 HB3 LEU 33 HB1 LEU 33 17.127 2.629 -0.462
58 HG LEU 33 HG LEU 33 14.892 3.717 -0.265
59 HD11 LEU 33 HD11 LEU 33 14.298 4.806 1.831
60 HD12 LEU 33 HD12 LEU 33 15.703 4.084 2.615
61 HD13 LEU 33 HD13 LEU 33 14.393 3.058 2.034
62 HD21 LEU 33 HD21 LEU 33 17.212 5.237 0.919
63 HD22 LEU 33 HD22 LEU 33 15.771 5.950 0.195
64 HD23 LEU 33 HD23 LEU 33 16.888 5.014 -0.799
65 HA PRO 34 HA PRO 34 13.999 1.447 -3.242
66 HB2 PRO 34 HB2 PRO 34 15.452 -1.005 -4.101
67 HB3 PRO 34 HB1 PRO 34 15.124 0.482 -4.998
68 HG2 PRO 34 HG2 PRO 34 17.558 -0.008 -4.054
69 HG3 PRO 34 HG1 PRO 34 16.877 1.629 -3.992
70 HD2 PRO 34 HD2 PRO 34 17.159 -0.393 -1.805
71 HD3 PRO 34 HD1 PRO 34 17.393 1.365 -1.752
72 H LEU 35 HN LEU 35 14.751 -1.621 -1.631
73 HA LEU 35 HA LEU 35 12.275 -2.840 -2.484
74 HB2 LEU 35 HB2 LEU 35 14.319 -4.173 -2.214
75 HB3 LEU 35 HB1 LEU 35 14.358 -3.777 -0.508
76 HG LEU 35 HG LEU 35 11.888 -5.086 -1.493
77 HD11 LEU 35 HD11 LEU 35 12.911 -7.309 -1.385
78 HD12 LEU 35 HD12 LEU 35 14.500 -6.565 -1.206
79 HD13 LEU 35 HD13 LEU 35 13.586 -6.343 -2.697
80 HD21 LEU 35 HD21 LEU 35 12.060 -6.222 0.657
81 HD22 LEU 35 HD22 LEU 35 12.189 -4.475 0.857
82 HD23 LEU 35 HD23 LEU 35 13.635 -5.481 0.934
83 H PHE 36 HN PHE 36 13.388 -0.953 0.155
84 HA PHE 36 HA PHE 36 11.635 -1.801 2.181
85 HB2 PHE 36 HB2 PHE 36 13.674 -0.234 2.332
86 HB3 PHE 36 HB1 PHE 36 12.561 1.046 1.862
87 HD1 PHE 36 HD1 PHE 36 13.456 -1.350 4.487
88 HD2 PHE 36 HD2 PHE 36 10.890 1.858 3.376
89 HE1 PHE 36 HE1 PHE 36 12.760 -1.098 6.834
90 HE2 PHE 36 HE2 PHE 36 10.190 2.116 5.721
91 HZ PHE 36 HZ PHE 36 11.146 0.635 7.460
92 H SER 37 HN SER 37 11.165 0.247 -0.596
93 HA SER 37 HA SER 37 8.719 1.419 0.330
94 HB2 SER 37 HB2 SER 37 9.694 1.232 -2.512
95 HB3 SER 37 HB1 SER 37 8.523 2.372 -1.865
96 HG SER 37 HG SER 37 10.391 2.974 -0.415
97 H PHE 38 HN PHE 38 9.587 -1.566 -1.115
98 HA PHE 38 HA PHE 38 7.103 -2.152 -2.364
99 HB2 PHE 38 HB2 PHE 38 9.425 -3.822 -1.485
100 HB3 PHE 38 HB1 PHE 38 7.967 -4.573 -2.112
101 HD1 PHE 38 HD1 PHE 38 10.447 -1.931 -2.976
102 HD2 PHE 38 HD2 PHE 38 7.804 -4.956 -4.377
103 HE1 PHE 38 HE1 PHE 38 11.270 -1.582 -5.268
104 HE2 PHE 38 HE2 PHE 38 8.623 -4.615 -6.672
105 HZ PHE 38 HZ PHE 38 10.340 -2.916 -7.125
106 H LEU 39 HN LEU 39 8.404 -2.579 0.856
107 HA LEU 39 HA LEU 39 6.179 -4.134 1.805
108 HB2 LEU 39 HB2 LEU 39 8.440 -2.701 3.199
109 HB3 LEU 39 HB1 LEU 39 7.176 -3.541 4.076
110 HG LEU 39 HG LEU 39 7.844 -5.631 2.806
111 HD11 LEU 39 HD11 LEU 39 10.123 -5.663 1.893
112 HD12 LEU 39 HD12 LEU 39 10.225 -3.916 2.118
113 HD13 LEU 39 HD13 LEU 39 9.055 -4.592 0.984
114 HD21 LEU 39 HD21 LEU 39 8.442 -5.261 5.136
115 HD22 LEU 39 HD22 LEU 39 9.870 -4.355 4.637
116 HD23 LEU 39 HD23 LEU 39 9.748 -6.077 4.274
117 H ILE 40 HN ILE 40 6.952 -0.858 1.318
118 HA ILE 40 HA ILE 40 4.933 0.216 3.094
119 HB ILE 40 HB ILE 40 6.945 1.395 1.202
120 HG12 ILE 40 HG12 ILE 40 6.377 1.926 4.124
121 HG13 ILE 40 HG11 ILE 40 7.560 0.762 3.536
122 HG21 ILE 40 HG21 ILE 40 6.078 3.650 1.774
123 HG22 ILE 40 HG22 ILE 40 4.651 2.880 2.468
124 HG23 ILE 40 HG23 ILE 40 5.001 2.707 0.746
125 HD11 ILE 40 HD11 ILE 40 7.618 3.735 3.070
126 HD12 ILE 40 HD12 ILE 40 8.799 2.575 2.462
127 HD13 ILE 40 HD13 ILE 40 8.627 2.831 4.198
128 H VAL 41 HN VAL 41 5.330 -0.656 -0.237
129 HA VAL 41 HA VAL 41 2.947 0.725 -1.118
130 HB VAL 41 HB VAL 41 5.127 0.295 -2.471
131 HG11 VAL 41 HG11 VAL 41 3.595 -2.235 -2.967
132 HG12 VAL 41 HG12 VAL 41 5.178 -2.090 -2.210
133 HG13 VAL 41 HG13 VAL 41 4.975 -1.679 -3.912
134 HG21 VAL 41 HG21 VAL 41 3.836 0.378 -4.567
135 HG22 VAL 41 HG22 VAL 41 3.197 1.478 -3.345
136 HG23 VAL 41 HG23 VAL 41 2.380 -0.050 -3.668
137 H ALA 42 HN ALA 42 3.962 -2.481 -0.240
138 HA ALA 42 HA ALA 42 1.840 -3.975 -1.278
139 HB1 ALA 42 HB1 ALA 42 3.408 -4.492 1.247
140 HB2 ALA 42 HB2 ALA 42 3.879 -4.985 -0.379
141 HB3 ALA 42 HB3 ALA 42 2.437 -5.673 0.367
142 H GLY 43 HN GLY 43 2.113 -2.103 1.688
143 HA2 GLY 43 HA2 GLY 43 -0.410 -3.027 2.738
144 HA3 GLY 43 HA1 GLY 43 0.594 -1.747 3.402
145 H ALA 44 HN ALA 44 0.706 -0.337 0.814
146 HA ALA 44 HA ALA 44 -1.608 1.289 1.171
147 HB1 ALA 44 HB1 ALA 44 -0.728 2.593 -0.702
148 HB2 ALA 44 HB2 ALA 44 0.461 1.330 -1.023
149 HB3 ALA 44 HB3 ALA 44 0.528 2.241 0.486
150 H THR 45 HN THR 45 -0.807 -1.385 -0.883
151 HA THR 45 HA THR 45 -2.896 -0.880 -2.803
152 HB THR 45 HB THR 45 -2.351 -3.200 -3.611
153 HG1 THR 45 HG1 THR 45 -0.126 -3.786 -2.610
154 HG21 THR 45 HG21 THR 45 -1.284 -1.245 -4.595
155 HG22 THR 45 HG22 THR 45 -0.140 -2.585 -4.502
156 HG23 THR 45 HG23 THR 45 -0.049 -1.265 -3.336
157 H THR 46 HN THR 46 -2.357 -3.304 -0.243
158 HA THR 46 HA THR 46 -4.801 -4.633 -0.471
159 HB THR 46 HB THR 46 -3.267 -4.186 2.099
160 HG1 THR 46 HG1 THR 46 -2.898 -6.549 0.724
161 HG21 THR 46 HG21 THR 46 -5.108 -6.422 1.237
162 HG22 THR 46 HG22 THR 46 -5.510 -5.148 2.389
163 HG23 THR 46 HG23 THR 46 -4.249 -6.319 2.774
164 H LEU 47 HN LEU 47 -3.899 -1.793 1.433
165 HA LEU 47 HA LEU 47 -6.396 -1.498 2.743
166 HB2 LEU 47 HB2 LEU 47 -4.148 -0.495 3.396
167 HB3 LEU 47 HB1 LEU 47 -4.424 0.702 2.147
168 HG LEU 47 HG LEU 47 -6.475 0.318 4.295
169 HD11 LEU 47 HD11 LEU 47 -4.384 0.531 5.503
170 HD12 LEU 47 HD12 LEU 47 -5.320 2.020 5.641
171 HD13 LEU 47 HD13 LEU 47 -3.946 1.941 4.538
172 HD21 LEU 47 HD21 LEU 47 -7.062 1.751 2.445
173 HD22 LEU 47 HD22 LEU 47 -5.563 2.658 2.626
174 HD23 LEU 47 HD23 LEU 47 -6.798 2.736 3.883
175 H PHE 48 HN PHE 48 -5.058 -0.292 -0.272
176 HA PHE 48 HA PHE 48 -6.951 1.647 -0.915
177 HB2 PHE 48 HB2 PHE 48 -4.875 1.345 -2.174
178 HB3 PHE 48 HB1 PHE 48 -5.439 -0.215 -2.762
179 HD1 PHE 48 HD1 PHE 48 -6.027 3.424 -2.911
180 HD2 PHE 48 HD2 PHE 48 -6.857 -0.374 -4.640
181 HE1 PHE 48 HE1 PHE 48 -7.045 4.537 -4.855
182 HE2 PHE 48 HE2 PHE 48 -7.876 0.730 -6.588
183 HZ PHE 48 HZ PHE 48 -7.971 3.189 -6.697
184 H CYS 49 HN CYS 49 -6.859 -1.697 -2.155
185 HA CYS 49 HA CYS 49 -9.472 -1.618 -3.225
186 HB2 CYS 49 HB2 CYS 49 -7.787 -3.212 -4.010
187 HB3 CYS 49 HB1 CYS 49 -7.780 -4.001 -2.437
188 HG CYS 49 HG CYS 49 -9.157 -5.750 -3.977
189 H LEU 50 HN LEU 50 -8.280 -2.173 -0.042
190 HA LEU 50 HA LEU 50 -10.238 -3.783 1.079
191 HB2 LEU 50 HB2 LEU 50 -8.056 -2.644 2.059
192 HB3 LEU 50 HB1 LEU 50 -9.214 -1.469 2.650
193 HG LEU 50 HG LEU 50 -10.444 -3.337 3.768
194 HD11 LEU 50 HD11 LEU 50 -8.017 -4.923 2.938
195 HD12 LEU 50 HD12 LEU 50 -9.676 -5.181 2.398
196 HD13 LEU 50 HD13 LEU 50 -9.245 -5.459 4.085
197 HD21 LEU 50 HD21 LEU 50 -8.810 -3.597 5.589
198 HD22 LEU 50 HD22 LEU 50 -8.928 -1.929 5.029
199 HD23 LEU 50 HD23 LEU 50 -7.558 -2.929 4.543
200 H LEU 51 HN LEU 51 -10.229 -0.254 0.684
201 HA LEU 51 HA LEU 51 -12.729 0.158 1.956
202 HB2 LEU 51 HB2 LEU 51 -11.291 1.885 -0.059
203 HB3 LEU 51 HB1 LEU 51 -12.647 2.394 0.927
204 HG LEU 51 HG LEU 51 -9.929 1.586 1.968
205 HD11 LEU 51 HD11 LEU 51 -11.249 4.285 1.733
206 HD12 LEU 51 HD12 LEU 51 -9.856 3.714 0.814
207 HD13 LEU 51 HD13 LEU 51 -9.722 3.961 2.555
208 HD21 LEU 51 HD21 LEU 51 -12.371 2.633 3.396
209 HD22 LEU 51 HD22 LEU 51 -10.776 2.435 4.122
210 HD23 LEU 51 HD23 LEU 51 -11.669 1.024 3.556
211 H HIS 52 HN HIS 52 -11.779 -0.403 -1.393
212 HA HIS 52 HA HIS 52 -14.385 0.094 -2.462
213 HB2 HIS 52 HB2 HIS 52 -11.995 -1.326 -3.654
214 HB3 HIS 52 HB1 HIS 52 -13.459 -0.908 -4.541
215 HD1 HIS 52 HD1 HIS 52 -10.181 0.351 -3.771
216 HD2 HIS 52 HD2 HIS 52 -13.902 2.041 -4.521
217 HE1 HIS 52 HE1 HIS 52 -9.722 2.748 -4.375
218 HE2 HIS 52 HE2 HIS 52 -11.994 3.772 -4.744
219 H PHE 53 HN PHE 53 -13.040 -2.470 -0.740
220 HA PHE 53 HA PHE 53 -14.265 -4.699 -1.930
221 HB2 PHE 53 HB2 PHE 53 -12.484 -4.878 -0.241
222 HB3 PHE 53 HB1 PHE 53 -13.581 -4.253 0.985
223 HD1 PHE 53 HD1 PHE 53 -13.487 -6.980 -1.566
224 HD2 PHE 53 HD2 PHE 53 -14.570 -5.782 2.372
225 HE1 PHE 53 HE1 PHE 53 -14.242 -9.272 -1.080
226 HE2 PHE 53 HE2 PHE 53 -15.325 -8.071 2.865
227 HZ PHE 53 HZ PHE 53 -15.161 -9.819 1.137
228 H GLY 54 HN GLY 54 -15.583 -2.096 -0.147
229 HA2 GLY 54 HA2 GLY 54 -18.013 -1.829 -0.336
230 HA3 GLY 54 HA1 GLY 54 -18.154 -3.541 0.031
231 H VAL 55 HN VAL 55 -15.866 -1.557 1.741
232 HA VAL 55 HA VAL 55 -17.092 -2.196 4.247
233 HB VAL 55 HB VAL 55 -14.821 -0.279 3.710
234 HG11 VAL 55 HG11 VAL 55 -15.822 0.019 5.905
235 HG12 VAL 55 HG12 VAL 55 -14.223 -0.711 6.051
236 HG13 VAL 55 HG13 VAL 55 -15.667 -1.707 6.229
237 HG21 VAL 55 HG21 VAL 55 -14.738 -3.223 4.374
238 HG22 VAL 55 HG22 VAL 55 -13.340 -2.154 4.252
239 HG23 VAL 55 HG23 VAL 55 -14.317 -2.494 2.824
240 H ILE 56 HN ILE 56 -17.149 0.495 2.074
241 HA ILE 56 HA ILE 56 -18.905 1.923 3.945
242 HB ILE 56 HB ILE 56 -18.085 4.066 2.939
243 HG12 ILE 56 HG12 ILE 56 -16.974 2.731 0.988
244 HG13 ILE 56 HG11 ILE 56 -16.195 4.185 1.597
245 HG21 ILE 56 HG21 ILE 56 -17.418 3.443 5.155
246 HG22 ILE 56 HG22 ILE 56 -16.027 4.135 4.320
247 HG23 ILE 56 HG23 ILE 56 -16.152 2.388 4.527
248 HD11 ILE 56 HD11 ILE 56 -14.671 2.262 1.152
249 HD12 ILE 56 HD12 ILE 56 -15.451 1.410 2.485
250 HD13 ILE 56 HD13 ILE 56 -14.581 2.912 2.788
251 H GLY 57 HN GLY 57 -18.337 0.773 0.790
252 HA2 GLY 57 HA2 GLY 57 -20.059 0.412 -0.789
253 HA3 GLY 57 HA1 GLY 57 -20.993 1.685 -0.020
254 HA PRO 58 HA PRO 58 -19.901 3.854 -3.840
255 HB2 PRO 58 HB2 PRO 58 -21.065 6.097 -2.259
256 HB3 PRO 58 HB1 PRO 58 -21.410 5.592 -3.918
257 HG2 PRO 58 HG2 PRO 58 -23.127 5.052 -1.963
258 HG3 PRO 58 HG1 PRO 58 -22.806 3.862 -3.239
259 HD2 PRO 58 HD2 PRO 58 -21.831 3.927 -0.415
260 HD3 PRO 58 HD1 PRO 58 -22.316 2.539 -1.411
261 H GLN 59 HN GLN 59 -19.179 4.882 -0.555
262 HA GLN 59 HA GLN 59 -17.458 6.055 0.360
263 HB2 GLN 59 HB2 GLN 59 -16.174 4.196 -0.638
264 HB3 GLN 59 HB1 GLN 59 -15.991 5.129 -2.118
265 HG2 GLN 59 HG2 GLN 59 -14.727 6.822 -0.902
266 HG3 GLN 59 HG1 GLN 59 -14.919 5.900 0.587
267 HE21 GLN 59 HE21 GLN 59 -12.493 6.705 -0.817
268 HE22 GLN 59 HE22 GLN 59 -11.631 5.247 -1.157
269 H ARG 60 HN ARG 60 -18.351 8.108 0.222
270 HA ARG 60 HA ARG 60 -17.805 9.713 -2.151
271 HB2 ARG 60 HB2 ARG 60 -19.339 10.360 0.372
272 HB3 ARG 60 HB1 ARG 60 -19.181 11.433 -1.012
273 HG2 ARG 60 HG2 ARG 60 -20.335 9.792 -2.413
274 HG3 ARG 60 HG1 ARG 60 -20.505 8.727 -1.015
275 HD2 ARG 60 HD2 ARG 60 -22.558 9.972 -1.401
276 HD3 ARG 60 HD1 ARG 60 -21.820 10.448 0.128
277 HE ARG 60 HE ARG 60 -20.880 12.234 -1.745
278 HH11 ARG 60 HH11 ARG 60 -23.994 11.267 -0.516
279 HH12 ARG 60 HH12 ARG 60 -24.724 12.815 -0.786
280 HH21 ARG 60 HH21 ARG 60 -21.832 14.274 -2.100
281 HH22 ARG 60 HH22 ARG 60 -23.495 14.523 -1.686
Start of MODEL 19
1 H1 ARG 28 HT1 ARG 28 28.148 2.155 0.113
2 H2 ARG 28 HT2 ARG 28 29.608 1.415 0.543
3 H3 ARG 28 HT3 ARG 28 28.342 0.486 -0.085
4 HA ARG 28 HA ARG 28 29.844 2.585 -1.535
5 HB2 ARG 28 HB2 ARG 28 31.067 0.438 -1.094
6 HB3 ARG 28 HB1 ARG 28 29.807 -0.405 -1.985
7 HG2 ARG 28 HG2 ARG 28 30.363 0.911 -3.984
8 HG3 ARG 28 HG1 ARG 28 31.659 1.701 -3.082
9 HD2 ARG 28 HD2 ARG 28 32.670 -0.534 -2.689
10 HD3 ARG 28 HD1 ARG 28 31.430 -1.234 -3.728
11 HE ARG 28 HE ARG 28 32.541 0.667 -5.295
12 HH11 ARG 28 HH11 ARG 28 33.865 -1.949 -3.413
13 HH12 ARG 28 HH12 ARG 28 35.223 -2.187 -4.460
14 HH21 ARG 28 HH21 ARG 28 34.327 0.363 -6.680
15 HH22 ARG 28 HH22 ARG 28 35.485 -0.873 -6.320
16 H ARG 29 HN ARG 29 27.087 0.493 -1.337
17 HA ARG 29 HA ARG 29 25.853 1.864 -3.566
18 HB2 ARG 29 HB2 ARG 29 27.076 -0.070 -4.589
19 HB3 ARG 29 HB1 ARG 29 26.089 -1.150 -3.616
20 HG2 ARG 29 HG2 ARG 29 25.203 -1.034 -5.845
21 HG3 ARG 29 HG1 ARG 29 24.074 -0.268 -4.728
22 HD2 ARG 29 HD2 ARG 29 24.875 1.927 -5.385
23 HD3 ARG 29 HD1 ARG 29 26.083 1.195 -6.440
24 HE ARG 29 HE ARG 29 23.950 0.198 -7.551
25 HH11 ARG 29 HH11 ARG 29 24.326 3.401 -6.230
26 HH12 ARG 29 HH12 ARG 29 23.185 4.122 -7.316
27 HH21 ARG 29 HH21 ARG 29 22.445 1.139 -8.983
28 HH22 ARG 29 HH22 ARG 29 22.117 2.837 -8.880
29 H CYS 30 HN CYS 30 23.567 1.614 -3.617
30 HA CYS 30 HA CYS 30 22.478 0.767 -1.032
31 HB2 CYS 30 HB2 CYS 30 21.269 2.501 -3.196
32 HB3 CYS 30 HB1 CYS 30 20.507 2.123 -1.655
33 HG CYS 30 HG CYS 30 21.325 4.606 -1.143
34 H LEU 31 HN LEU 31 21.438 -1.091 -0.873
35 HA LEU 31 HA LEU 31 19.810 -2.045 -3.105
36 HB2 LEU 31 HB2 LEU 31 21.929 -3.704 -1.736
37 HB3 LEU 31 HB1 LEU 31 20.699 -4.353 -2.803
38 HG LEU 31 HG LEU 31 21.761 -2.515 -4.447
39 HD11 LEU 31 HD11 LEU 31 24.039 -3.391 -2.679
40 HD12 LEU 31 HD12 LEU 31 23.412 -1.751 -2.834
41 HD13 LEU 31 HD13 LEU 31 24.194 -2.528 -4.209
42 HD21 LEU 31 HD21 LEU 31 23.037 -4.337 -5.445
43 HD22 LEU 31 HD22 LEU 31 21.449 -4.894 -4.918
44 HD23 LEU 31 HD23 LEU 31 22.879 -5.274 -3.959
45 H PHE 32 HN PHE 32 20.118 -1.354 0.097
46 HA PHE 32 HA PHE 32 18.018 -3.275 0.864
47 HB2 PHE 32 HB2 PHE 32 20.106 -1.930 2.588
48 HB3 PHE 32 HB1 PHE 32 18.782 -2.907 3.214
49 HD1 PHE 32 HD1 PHE 32 18.888 -5.268 3.203
50 HD2 PHE 32 HD2 PHE 32 21.860 -2.987 1.183
51 HE1 PHE 32 HE1 PHE 32 20.262 -7.293 2.945
52 HE2 PHE 32 HE2 PHE 32 23.236 -5.007 0.919
53 HZ PHE 32 HZ PHE 32 22.438 -7.165 1.801
54 H LEU 33 HN LEU 33 18.362 -0.207 -0.096
55 HA LEU 33 HA LEU 33 16.658 1.024 1.912
56 HB2 LEU 33 HB2 LEU 33 18.556 2.280 0.961
57 HB3 LEU 33 HB1 LEU 33 17.803 2.199 -0.620
58 HG LEU 33 HG LEU 33 15.858 3.476 0.318
59 HD11 LEU 33 HD11 LEU 33 16.196 4.698 2.407
60 HD12 LEU 33 HD12 LEU 33 17.714 3.837 2.667
61 HD13 LEU 33 HD13 LEU 33 16.187 2.955 2.673
62 HD21 LEU 33 HD21 LEU 33 17.578 4.574 -1.003
63 HD22 LEU 33 HD22 LEU 33 18.564 4.803 0.443
64 HD23 LEU 33 HD23 LEU 33 17.017 5.635 0.289
65 HA PRO 34 HA PRO 34 13.766 1.214 -1.980
66 HB2 PRO 34 HB2 PRO 34 14.711 -0.959 -3.706
67 HB3 PRO 34 HB1 PRO 34 14.349 0.718 -4.119
68 HG2 PRO 34 HG2 PRO 34 16.869 -0.229 -4.087
69 HG3 PRO 34 HG1 PRO 34 16.482 1.440 -3.627
70 HD2 PRO 34 HD2 PRO 34 17.034 -0.928 -1.874
71 HD3 PRO 34 HD1 PRO 34 17.608 0.745 -1.717
72 H LEU 35 HN LEU 35 15.074 -1.720 -0.671
73 HA LEU 35 HA LEU 35 12.916 -3.454 -1.225
74 HB2 LEU 35 HB2 LEU 35 15.372 -3.829 -0.246
75 HB3 LEU 35 HB1 LEU 35 14.494 -3.805 1.269
76 HG LEU 35 HG LEU 35 14.825 -6.087 0.478
77 HD11 LEU 35 HD11 LEU 35 11.937 -5.255 0.263
78 HD12 LEU 35 HD12 LEU 35 12.808 -5.560 1.766
79 HD13 LEU 35 HD13 LEU 35 12.539 -6.873 0.621
80 HD21 LEU 35 HD21 LEU 35 14.939 -5.644 -1.912
81 HD22 LEU 35 HD22 LEU 35 13.223 -5.235 -1.930
82 HD23 LEU 35 HD23 LEU 35 13.735 -6.882 -1.558
83 H PHE 36 HN PHE 36 13.619 -1.302 1.486
84 HA PHE 36 HA PHE 36 11.506 -2.121 3.153
85 HB2 PHE 36 HB2 PHE 36 13.447 -0.763 3.900
86 HB3 PHE 36 HB1 PHE 36 12.800 0.610 3.006
87 HD1 PHE 36 HD1 PHE 36 12.118 -1.703 5.810
88 HD2 PHE 36 HD2 PHE 36 11.156 1.994 3.935
89 HE1 PHE 36 HE1 PHE 36 10.782 -1.060 7.772
90 HE2 PHE 36 HE2 PHE 36 9.820 2.645 5.895
91 HZ PHE 36 HZ PHE 36 9.627 1.109 7.818
92 H SER 37 HN SER 37 11.590 -0.020 0.378
93 HA SER 37 HA SER 37 9.108 1.292 0.921
94 HB2 SER 37 HB2 SER 37 10.400 1.013 -1.780
95 HB3 SER 37 HB1 SER 37 9.318 2.285 -1.227
96 HG SER 37 HG SER 37 11.809 1.817 0.017
97 H PHE 38 HN PHE 38 10.045 -1.640 -0.754
98 HA PHE 38 HA PHE 38 7.707 -2.071 -2.226
99 HB2 PHE 38 HB2 PHE 38 9.771 -3.917 -1.089
100 HB3 PHE 38 HB1 PHE 38 8.355 -4.560 -1.911
101 HD1 PHE 38 HD1 PHE 38 7.877 -3.336 -4.249
102 HD2 PHE 38 HD2 PHE 38 11.666 -3.647 -2.342
103 HE1 PHE 38 HE1 PHE 38 8.991 -3.019 -6.420
104 HE2 PHE 38 HE2 PHE 38 12.788 -3.329 -4.508
105 HZ PHE 38 HZ PHE 38 11.449 -3.014 -6.552
106 H LEU 39 HN LEU 39 8.516 -2.891 1.114
107 HA LEU 39 HA LEU 39 6.066 -4.260 1.631
108 HB2 LEU 39 HB2 LEU 39 8.192 -3.091 3.422
109 HB3 LEU 39 HB1 LEU 39 6.755 -3.864 4.062
110 HG LEU 39 HG LEU 39 8.610 -5.412 4.103
111 HD11 LEU 39 HD11 LEU 39 6.398 -6.334 3.675
112 HD12 LEU 39 HD12 LEU 39 7.646 -7.267 2.849
113 HD13 LEU 39 HD13 LEU 39 6.641 -6.138 1.941
114 HD21 LEU 39 HD21 LEU 39 9.721 -6.158 2.067
115 HD22 LEU 39 HD22 LEU 39 9.946 -4.426 2.312
116 HD23 LEU 39 HD23 LEU 39 8.781 -5.004 1.120
117 H ILE 40 HN ILE 40 6.977 -1.007 1.377
118 HA ILE 40 HA ILE 40 4.894 0.067 3.064
119 HB ILE 40 HB ILE 40 7.058 1.217 1.361
120 HG12 ILE 40 HG12 ILE 40 6.122 1.795 4.179
121 HG13 ILE 40 HG11 ILE 40 7.417 0.682 3.749
122 HG21 ILE 40 HG21 ILE 40 5.173 2.515 0.628
123 HG22 ILE 40 HG22 ILE 40 6.164 3.494 1.708
124 HG23 ILE 40 HG23 ILE 40 4.660 2.781 2.295
125 HD11 ILE 40 HD11 ILE 40 7.389 3.660 3.328
126 HD12 ILE 40 HD12 ILE 40 8.664 2.575 2.774
127 HD13 ILE 40 HD13 ILE 40 8.351 2.758 4.500
128 H VAL 41 HN VAL 41 5.457 -0.486 -0.365
129 HA VAL 41 HA VAL 41 3.061 0.888 -1.191
130 HB VAL 41 HB VAL 41 4.821 -0.995 -2.775
131 HG11 VAL 41 HG11 VAL 41 3.832 0.095 -4.736
132 HG12 VAL 41 HG12 VAL 41 2.781 1.038 -3.678
133 HG13 VAL 41 HG13 VAL 41 2.609 -0.715 -3.757
134 HG21 VAL 41 HG21 VAL 41 5.923 0.974 -3.635
135 HG22 VAL 41 HG22 VAL 41 6.033 0.967 -1.876
136 HG23 VAL 41 HG23 VAL 41 4.871 2.020 -2.683
137 H ALA 42 HN ALA 42 3.985 -2.363 -0.353
138 HA ALA 42 HA ALA 42 1.868 -3.768 -1.559
139 HB1 ALA 42 HB1 ALA 42 3.889 -4.849 -0.677
140 HB2 ALA 42 HB2 ALA 42 2.416 -5.574 -0.033
141 HB3 ALA 42 HB3 ALA 42 3.364 -4.471 0.964
142 H GLY 43 HN GLY 43 2.200 -2.387 1.702
143 HA2 GLY 43 HA2 GLY 43 -0.361 -3.232 2.601
144 HA3 GLY 43 HA1 GLY 43 0.639 -1.993 3.346
145 H ALA 44 HN ALA 44 0.685 -0.583 0.652
146 HA ALA 44 HA ALA 44 -1.506 1.162 1.174
147 HB1 ALA 44 HB1 ALA 44 0.611 1.974 0.260
148 HB2 ALA 44 HB2 ALA 44 -0.742 2.387 -0.794
149 HB3 ALA 44 HB3 ALA 44 0.332 1.051 -1.217
150 H THR 45 HN THR 45 -0.878 -1.380 -1.182
151 HA THR 45 HA THR 45 -3.201 -0.876 -2.758
152 HB THR 45 HB THR 45 -2.761 -3.147 -3.711
153 HG1 THR 45 HG1 THR 45 -0.479 -3.839 -2.924
154 HG21 THR 45 HG21 THR 45 -0.625 -2.555 -4.765
155 HG22 THR 45 HG22 THR 45 -0.368 -1.310 -3.542
156 HG23 THR 45 HG23 THR 45 -1.709 -1.166 -4.679
157 H THR 46 HN THR 46 -2.471 -2.933 -0.003
158 HA THR 46 HA THR 46 -4.841 -4.484 -0.087
159 HB THR 46 HB THR 46 -3.114 -3.830 2.311
160 HG1 THR 46 HG1 THR 46 -2.528 -5.209 0.139
161 HG21 THR 46 HG21 THR 46 -5.021 -6.129 1.849
162 HG22 THR 46 HG22 THR 46 -5.339 -4.739 2.887
163 HG23 THR 46 HG23 THR 46 -4.035 -5.859 3.287
164 H LEU 47 HN LEU 47 -4.035 -1.372 1.298
165 HA LEU 47 HA LEU 47 -6.449 -1.148 2.844
166 HB2 LEU 47 HB2 LEU 47 -4.398 0.011 3.507
167 HB3 LEU 47 HB1 LEU 47 -4.423 0.933 2.016
168 HG LEU 47 HG LEU 47 -6.601 1.935 2.759
169 HD11 LEU 47 HD11 LEU 47 -7.196 1.775 5.116
170 HD12 LEU 47 HD12 LEU 47 -5.887 0.620 5.376
171 HD13 LEU 47 HD13 LEU 47 -7.251 0.191 4.342
172 HD21 LEU 47 HD21 LEU 47 -4.492 3.132 2.991
173 HD22 LEU 47 HD22 LEU 47 -4.214 2.360 4.552
174 HD23 LEU 47 HD23 LEU 47 -5.562 3.478 4.351
175 H PHE 48 HN PHE 48 -5.250 0.231 -0.194
176 HA PHE 48 HA PHE 48 -7.454 1.839 -0.795
177 HB2 PHE 48 HB2 PHE 48 -5.282 1.966 -1.967
178 HB3 PHE 48 HB1 PHE 48 -5.609 0.412 -2.723
179 HD1 PHE 48 HD1 PHE 48 -6.539 3.958 -2.614
180 HD2 PHE 48 HD2 PHE 48 -7.134 0.220 -4.559
181 HE1 PHE 48 HE1 PHE 48 -7.684 5.107 -4.463
182 HE2 PHE 48 HE2 PHE 48 -8.280 1.364 -6.413
183 HZ PHE 48 HZ PHE 48 -8.555 3.810 -6.367
184 H CYS 49 HN CYS 49 -6.830 -1.569 -1.441
185 HA CYS 49 HA CYS 49 -9.252 -1.914 -2.961
186 HB2 CYS 49 HB2 CYS 49 -7.286 -3.286 -3.453
187 HB3 CYS 49 HB1 CYS 49 -7.326 -3.952 -1.825
188 HG CYS 49 HG CYS 49 -9.999 -5.024 -2.339
189 H LEU 50 HN LEU 50 -8.317 -2.066 0.351
190 HA LEU 50 HA LEU 50 -10.224 -3.834 1.380
191 HB2 LEU 50 HB2 LEU 50 -8.204 -2.469 2.466
192 HB3 LEU 50 HB1 LEU 50 -9.514 -1.411 2.949
193 HG LEU 50 HG LEU 50 -10.627 -3.408 3.997
194 HD11 LEU 50 HD11 LEU 50 -7.939 -4.676 3.479
195 HD12 LEU 50 HD12 LEU 50 -9.472 -5.147 2.744
196 HD13 LEU 50 HD13 LEU 50 -9.225 -5.354 4.479
197 HD21 LEU 50 HD21 LEU 50 -9.424 -1.779 5.336
198 HD22 LEU 50 HD22 LEU 50 -7.904 -2.614 5.023
199 HD23 LEU 50 HD23 LEU 50 -9.165 -3.404 5.971
200 H LEU 51 HN LEU 51 -10.388 -0.348 0.796
201 HA LEU 51 HA LEU 51 -13.083 -0.124 1.756
202 HB2 LEU 51 HB2 LEU 51 -12.322 1.959 1.990
203 HB3 LEU 51 HB1 LEU 51 -10.941 1.631 0.965
204 HG LEU 51 HG LEU 51 -12.559 2.032 -1.002
205 HD11 LEU 51 HD11 LEU 51 -14.620 1.977 0.324
206 HD12 LEU 51 HD12 LEU 51 -14.426 3.515 -0.518
207 HD13 LEU 51 HD13 LEU 51 -14.084 3.404 1.209
208 HD21 LEU 51 HD21 LEU 51 -10.729 3.525 -0.418
209 HD22 LEU 51 HD22 LEU 51 -11.734 4.296 0.810
210 HD23 LEU 51 HD23 LEU 51 -12.156 4.445 -0.895
211 H HIS 52 HN HIS 52 -11.492 -0.483 -1.348
212 HA HIS 52 HA HIS 52 -13.710 0.089 -2.998
213 HB2 HIS 52 HB2 HIS 52 -11.397 0.054 -3.826
214 HB3 HIS 52 HB1 HIS 52 -11.311 -1.679 -3.530
215 HD1 HIS 52 HD1 HIS 52 -12.028 -3.169 -5.396
216 HD2 HIS 52 HD2 HIS 52 -13.286 0.753 -5.940
217 HE1 HIS 52 HE1 HIS 52 -13.004 -3.092 -7.712
218 HE2 HIS 52 HE2 HIS 52 -13.803 -0.720 -8.003
219 H PHE 53 HN PHE 53 -13.115 -2.479 -0.908
220 HA PHE 53 HA PHE 53 -14.165 -4.702 -2.201
221 HB2 PHE 53 HB2 PHE 53 -13.025 -4.722 0.006
222 HB3 PHE 53 HB1 PHE 53 -14.459 -3.997 0.724
223 HD1 PHE 53 HD1 PHE 53 -13.241 -6.998 -1.075
224 HD2 PHE 53 HD2 PHE 53 -16.244 -5.323 1.430
225 HE1 PHE 53 HE1 PHE 53 -14.189 -9.240 -0.719
226 HE2 PHE 53 HE2 PHE 53 -17.197 -7.562 1.792
227 HZ PHE 53 HZ PHE 53 -16.164 -9.526 0.718
228 H GLY 54 HN GLY 54 -15.777 -1.858 -1.139
229 HA2 GLY 54 HA2 GLY 54 -18.010 -1.527 -2.131
230 HA3 GLY 54 HA1 GLY 54 -18.375 -3.175 -1.646
231 H VAL 55 HN VAL 55 -16.592 -1.027 0.434
232 HA VAL 55 HA VAL 55 -18.705 -1.213 2.428
233 HB VAL 55 HB VAL 55 -16.105 0.222 2.834
234 HG11 VAL 55 HG11 VAL 55 -17.883 -1.383 4.667
235 HG12 VAL 55 HG12 VAL 55 -17.765 0.376 4.602
236 HG13 VAL 55 HG13 VAL 55 -16.384 -0.582 5.137
237 HG21 VAL 55 HG21 VAL 55 -16.505 -2.765 2.978
238 HG22 VAL 55 HG22 VAL 55 -15.071 -1.895 3.525
239 HG23 VAL 55 HG23 VAL 55 -15.500 -1.901 1.814
240 H ILE 56 HN ILE 56 -18.924 0.527 0.010
241 HA ILE 56 HA ILE 56 -19.066 3.153 1.307
242 HB ILE 56 HB ILE 56 -19.377 4.015 -1.066
243 HG12 ILE 56 HG12 ILE 56 -19.742 1.499 -1.825
244 HG13 ILE 56 HG11 ILE 56 -19.002 2.678 -2.899
245 HG21 ILE 56 HG21 ILE 56 -17.356 4.393 0.153
246 HG22 ILE 56 HG22 ILE 56 -16.936 3.942 -1.500
247 HG23 ILE 56 HG23 ILE 56 -16.782 2.763 -0.198
248 HD11 ILE 56 HD11 ILE 56 -17.376 0.859 -1.150
249 HD12 ILE 56 HD12 ILE 56 -16.853 1.796 -2.548
250 HD13 ILE 56 HD13 ILE 56 -17.911 0.403 -2.766
251 H GLY 57 HN GLY 57 -20.926 3.176 -1.473
252 HA2 GLY 57 HA2 GLY 57 -23.357 3.170 0.154
253 HA3 GLY 57 HA1 GLY 57 -23.191 3.865 -1.450
254 HA PRO 58 HA PRO 58 -25.198 0.258 -3.015
255 HB2 PRO 58 HB2 PRO 58 -24.312 0.223 -5.577
256 HB3 PRO 58 HB1 PRO 58 -25.489 1.401 -4.983
257 HG2 PRO 58 HG2 PRO 58 -22.547 1.714 -5.418
258 HG3 PRO 58 HG1 PRO 58 -23.860 2.847 -5.782
259 HD2 PRO 58 HD2 PRO 58 -22.271 3.065 -3.583
260 HD3 PRO 58 HD1 PRO 58 -23.953 3.625 -3.623
261 H GLN 59 HN GLN 59 -22.132 0.223 -2.104
262 HA GLN 59 HA GLN 59 -20.522 -1.349 -1.832
263 HB2 GLN 59 HB2 GLN 59 -22.746 -3.234 -2.622
264 HB3 GLN 59 HB1 GLN 59 -21.236 -3.704 -1.849
265 HG2 GLN 59 HG2 GLN 59 -21.823 -2.414 0.123
266 HG3 GLN 59 HG1 GLN 59 -23.313 -1.880 -0.654
267 HE21 GLN 59 HE21 GLN 59 -22.919 -3.364 1.826
268 HE22 GLN 59 HE22 GLN 59 -23.807 -4.836 1.649
269 H ARG 60 HN ARG 60 -20.419 -0.050 -4.265
270 HA ARG 60 HA ARG 60 -19.933 -2.106 -6.285
271 HB2 ARG 60 HB2 ARG 60 -19.805 0.908 -6.492
272 HB3 ARG 60 HB1 ARG 60 -19.608 -0.214 -7.831
273 HG2 ARG 60 HG2 ARG 60 -22.102 -0.005 -6.161
274 HG3 ARG 60 HG1 ARG 60 -21.852 0.846 -7.686
275 HD2 ARG 60 HD2 ARG 60 -23.037 -1.058 -8.312
276 HD3 ARG 60 HD1 ARG 60 -21.362 -1.481 -8.665
277 HE ARG 60 HE ARG 60 -21.605 -2.484 -6.226
278 HH11 ARG 60 HH11 ARG 60 -23.804 -2.642 -8.926
279 HH12 ARG 60 HH12 ARG 60 -24.467 -4.172 -8.460
280 HH21 ARG 60 HH21 ARG 60 -22.470 -4.496 -5.607
281 HH22 ARG 60 HH22 ARG 60 -23.710 -5.226 -6.573
Start of MODEL 20
1 H1 ARG 28 HT1 ARG 28 28.686 3.268 -2.470
2 H2 ARG 28 HT2 ARG 28 27.195 3.946 -2.887
3 H3 ARG 28 HT3 ARG 28 27.748 2.565 -3.690
4 HA ARG 28 HA ARG 28 27.616 1.289 -1.653
5 HB2 ARG 28 HB2 ARG 28 27.999 3.151 -0.103
6 HB3 ARG 28 HB1 ARG 28 26.439 3.840 -0.531
7 HG2 ARG 28 HG2 ARG 28 25.309 1.897 0.407
8 HG3 ARG 28 HG1 ARG 28 26.870 1.178 0.813
9 HD2 ARG 28 HD2 ARG 28 25.829 2.257 2.753
10 HD3 ARG 28 HD1 ARG 28 27.355 3.023 2.314
11 HE ARG 28 HE ARG 28 25.433 4.474 1.010
12 HH11 ARG 28 HH11 ARG 28 26.068 3.604 4.323
13 HH12 ARG 28 HH12 ARG 28 25.357 5.044 4.972
14 HH21 ARG 28 HH21 ARG 28 24.494 6.372 1.854
15 HH22 ARG 28 HH22 ARG 28 24.462 6.616 3.569
16 H ARG 29 HN ARG 29 25.824 0.006 -1.422
17 HA ARG 29 HA ARG 29 23.264 0.994 -2.437
18 HB2 ARG 29 HB2 ARG 29 24.439 -0.085 -4.332
19 HB3 ARG 29 HB1 ARG 29 24.564 -1.564 -3.392
20 HG2 ARG 29 HG2 ARG 29 22.754 -1.742 -4.967
21 HG3 ARG 29 HG1 ARG 29 22.111 -1.711 -3.325
22 HD2 ARG 29 HD2 ARG 29 21.502 0.611 -3.561
23 HD3 ARG 29 HD1 ARG 29 22.270 0.688 -5.147
24 HE ARG 29 HE ARG 29 20.434 -1.279 -5.440
25 HH11 ARG 29 HH11 ARG 29 20.262 2.005 -4.282
26 HH12 ARG 29 HH12 ARG 29 18.631 2.242 -4.813
27 HH21 ARG 29 HH21 ARG 29 18.287 -0.974 -6.139
28 HH22 ARG 29 HH22 ARG 29 17.507 0.547 -5.866
29 H CYS 30 HN CYS 30 21.789 0.590 -0.936
30 HA CYS 30 HA CYS 30 22.253 -1.287 1.176
31 HB2 CYS 30 HB2 CYS 30 19.750 0.273 0.499
32 HB3 CYS 30 HB1 CYS 30 20.058 -0.574 2.010
33 HG CYS 30 HG CYS 30 20.769 1.656 3.084
34 H LEU 31 HN LEU 31 21.198 -3.209 1.605
35 HA LEU 31 HA LEU 31 19.821 -4.407 -0.700
36 HB2 LEU 31 HB2 LEU 31 21.929 -5.486 0.006
37 HB3 LEU 31 HB1 LEU 31 21.235 -5.773 1.589
38 HG LEU 31 HG LEU 31 19.519 -7.224 0.554
39 HD11 LEU 31 HD11 LEU 31 19.807 -7.946 -1.767
40 HD12 LEU 31 HD12 LEU 31 21.106 -6.771 -1.970
41 HD13 LEU 31 HD13 LEU 31 19.460 -6.220 -1.660
42 HD21 LEU 31 HD21 LEU 31 22.370 -7.971 -0.083
43 HD22 LEU 31 HD22 LEU 31 21.014 -9.092 0.044
44 HD23 LEU 31 HD23 LEU 31 21.556 -8.198 1.465
45 H PHE 32 HN PHE 32 19.482 -3.508 2.609
46 HA PHE 32 HA PHE 32 17.094 -5.133 2.976
47 HB2 PHE 32 HB2 PHE 32 17.081 -4.116 5.267
48 HB3 PHE 32 HB1 PHE 32 18.543 -5.018 4.885
49 HD1 PHE 32 HD1 PHE 32 17.122 -1.650 5.321
50 HD2 PHE 32 HD2 PHE 32 20.661 -3.954 4.791
51 HE1 PHE 32 HE1 PHE 32 18.483 0.310 5.919
52 HE2 PHE 32 HE2 PHE 32 22.029 -1.997 5.387
53 HZ PHE 32 HZ PHE 32 20.939 0.139 5.954
54 H LEU 33 HN LEU 33 17.582 -2.521 1.265
55 HA LEU 33 HA LEU 33 15.345 -0.948 2.290
56 HB2 LEU 33 HB2 LEU 33 17.596 0.037 1.503
57 HB3 LEU 33 HB1 LEU 33 17.004 -0.255 -0.119
58 HG LEU 33 HG LEU 33 16.697 2.086 0.695
59 HD11 LEU 33 HD11 LEU 33 14.485 2.356 -0.194
60 HD12 LEU 33 HD12 LEU 33 14.113 0.659 0.102
61 HD13 LEU 33 HD13 LEU 33 15.318 1.098 -1.108
62 HD21 LEU 33 HD21 LEU 33 14.921 2.557 2.289
63 HD22 LEU 33 HD22 LEU 33 16.183 1.574 3.030
64 HD23 LEU 33 HD23 LEU 33 14.663 0.830 2.533
65 HA PRO 34 HA PRO 34 14.050 -2.055 -2.366
66 HB2 PRO 34 HB2 PRO 34 15.311 -4.755 -2.386
67 HB3 PRO 34 HB1 PRO 34 15.083 -3.610 -3.713
68 HG2 PRO 34 HG2 PRO 34 17.480 -3.939 -2.615
69 HG3 PRO 34 HG1 PRO 34 16.916 -2.325 -3.091
70 HD2 PRO 34 HD2 PRO 34 17.092 -3.548 -0.371
71 HD3 PRO 34 HD1 PRO 34 17.402 -1.877 -0.880
72 H LEU 35 HN LEU 35 14.548 -4.568 0.089
73 HA LEU 35 HA LEU 35 12.062 -5.882 -0.421
74 HB2 LEU 35 HB2 LEU 35 14.276 -6.712 0.755
75 HB3 LEU 35 HB1 LEU 35 13.488 -6.105 2.196
76 HG LEU 35 HG LEU 35 13.140 -8.505 1.946
77 HD11 LEU 35 HD11 LEU 35 10.592 -6.974 1.454
78 HD12 LEU 35 HD12 LEU 35 11.389 -7.163 3.015
79 HD13 LEU 35 HD13 LEU 35 10.732 -8.572 2.185
80 HD21 LEU 35 HD21 LEU 35 13.298 -8.631 -0.490
81 HD22 LEU 35 HD22 LEU 35 11.739 -7.818 -0.633
82 HD23 LEU 35 HD23 LEU 35 11.835 -9.415 0.109
83 H PHE 36 HN PHE 36 13.226 -3.628 2.053
84 HA PHE 36 HA PHE 36 10.902 -3.523 3.610
85 HB2 PHE 36 HB2 PHE 36 13.107 -2.653 4.318
86 HB3 PHE 36 HB1 PHE 36 12.944 -1.336 3.162
87 HD1 PHE 36 HD1 PHE 36 10.741 -2.858 5.770
88 HD2 PHE 36 HD2 PHE 36 12.503 0.665 4.162
89 HE1 PHE 36 HE1 PHE 36 9.595 -1.510 7.480
90 HE2 PHE 36 HE2 PHE 36 11.362 2.020 5.869
91 HZ PHE 36 HZ PHE 36 9.907 0.934 7.531
92 H SER 37 HN SER 37 11.579 -2.149 0.517
93 HA SER 37 HA SER 37 9.521 -0.133 0.700
94 HB2 SER 37 HB2 SER 37 11.035 -1.084 -1.725
95 HB3 SER 37 HB1 SER 37 10.062 0.378 -1.614
96 HG SER 37 HG SER 37 11.583 1.326 -0.435
97 H PHE 38 HN PHE 38 9.820 -3.394 -0.521
98 HA PHE 38 HA PHE 38 7.603 -3.451 -2.215
99 HB2 PHE 38 HB2 PHE 38 8.902 -5.619 -0.601
100 HB3 PHE 38 HB1 PHE 38 7.591 -5.934 -1.725
101 HD1 PHE 38 HD1 PHE 38 8.337 -4.084 -3.932
102 HD2 PHE 38 HD2 PHE 38 10.715 -6.707 -1.569
103 HE1 PHE 38 HE1 PHE 38 9.961 -4.266 -5.772
104 HE2 PHE 38 HE2 PHE 38 12.342 -6.891 -3.405
105 HZ PHE 38 HZ PHE 38 11.967 -5.668 -5.509
106 H LEU 39 HN LEU 39 7.756 -4.489 1.207
107 HA LEU 39 HA LEU 39 4.951 -4.903 1.346
108 HB2 LEU 39 HB2 LEU 39 5.799 -4.479 3.970
109 HB3 LEU 39 HB1 LEU 39 5.541 -6.006 3.163
110 HG LEU 39 HG LEU 39 7.671 -5.924 4.333
111 HD11 LEU 39 HD11 LEU 39 9.075 -6.250 2.058
112 HD12 LEU 39 HD12 LEU 39 7.428 -6.412 1.452
113 HD13 LEU 39 HD13 LEU 39 7.999 -7.462 2.746
114 HD21 LEU 39 HD21 LEU 39 8.066 -3.509 4.085
115 HD22 LEU 39 HD22 LEU 39 8.452 -3.770 2.383
116 HD23 LEU 39 HD23 LEU 39 9.461 -4.490 3.637
117 H ILE 40 HN ILE 40 6.935 -2.136 1.559
118 HA ILE 40 HA ILE 40 5.173 -0.511 3.112
119 HB ILE 40 HB ILE 40 7.649 -0.082 1.548
120 HG12 ILE 40 HG12 ILE 40 6.625 1.040 4.166
121 HG13 ILE 40 HG11 ILE 40 7.619 -0.403 3.993
122 HG21 ILE 40 HG21 ILE 40 5.701 2.170 2.026
123 HG22 ILE 40 HG22 ILE 40 6.292 1.586 0.470
124 HG23 ILE 40 HG23 ILE 40 7.397 2.382 1.591
125 HD11 ILE 40 HD11 ILE 40 9.426 0.968 3.071
126 HD12 ILE 40 HD12 ILE 40 8.957 1.485 4.691
127 HD13 ILE 40 HD13 ILE 40 8.429 2.408 3.284
128 H VAL 41 HN VAL 41 5.597 -1.202 -0.299
129 HA VAL 41 HA VAL 41 3.693 0.780 -1.164
130 HB VAL 41 HB VAL 41 5.053 -1.475 -2.648
131 HG11 VAL 41 HG11 VAL 41 3.294 0.737 -3.714
132 HG12 VAL 41 HG12 VAL 41 2.924 -0.987 -3.710
133 HG13 VAL 41 HG13 VAL 41 4.247 -0.372 -4.701
134 HG21 VAL 41 HG21 VAL 41 6.406 0.277 -3.635
135 HG22 VAL 41 HG22 VAL 41 6.521 0.347 -1.876
136 HG23 VAL 41 HG23 VAL 41 5.511 1.505 -2.741
137 H ALA 42 HN ALA 42 3.751 -2.734 -0.742
138 HA ALA 42 HA ALA 42 1.225 -3.293 -1.830
139 HB1 ALA 42 HB1 ALA 42 2.676 -4.773 0.363
140 HB2 ALA 42 HB2 ALA 42 2.904 -5.017 -1.370
141 HB3 ALA 42 HB3 ALA 42 1.354 -5.402 -0.621
142 H GLY 43 HN GLY 43 2.219 -2.260 1.380
143 HA2 GLY 43 HA2 GLY 43 -0.217 -2.731 2.720
144 HA3 GLY 43 HA1 GLY 43 1.016 -1.580 3.213
145 H ALA 44 HN ALA 44 0.921 0.012 0.821
146 HA ALA 44 HA ALA 44 -1.219 1.749 1.533
147 HB1 ALA 44 HB1 ALA 44 0.923 2.584 0.688
148 HB2 ALA 44 HB2 ALA 44 -0.430 3.157 -0.289
149 HB3 ALA 44 HB3 ALA 44 0.591 1.845 -0.878
150 H THR 45 HN THR 45 -0.662 -0.517 -1.112
151 HA THR 45 HA THR 45 -3.011 0.207 -2.569
152 HB THR 45 HB THR 45 -2.600 -1.857 -3.869
153 HG1 THR 45 HG1 THR 45 -0.247 -2.304 -2.385
154 HG21 THR 45 HG21 THR 45 -1.411 0.187 -4.476
155 HG22 THR 45 HG22 THR 45 -0.398 -1.229 -4.758
156 HG23 THR 45 HG23 THR 45 -0.120 -0.214 -3.344
157 H THR 46 HN THR 46 -2.304 -1.996 0.026
158 HA THR 46 HA THR 46 -4.594 -3.658 -0.238
159 HB THR 46 HB THR 46 -2.936 -3.062 2.223
160 HG1 THR 46 HG1 THR 46 -1.982 -5.119 1.630
161 HG21 THR 46 HG21 THR 46 -4.883 -5.304 1.659
162 HG22 THR 46 HG22 THR 46 -5.107 -3.996 2.821
163 HG23 THR 46 HG23 THR 46 -3.836 -5.191 3.073
164 H LEU 47 HN LEU 47 -3.897 -0.760 1.673
165 HA LEU 47 HA LEU 47 -6.349 -0.683 3.062
166 HB2 LEU 47 HB2 LEU 47 -4.123 0.599 3.459
167 HB3 LEU 47 HB1 LEU 47 -4.789 1.776 2.346
168 HG LEU 47 HG LEU 47 -6.310 0.917 4.792
169 HD11 LEU 47 HD11 LEU 47 -4.313 3.168 4.603
170 HD12 LEU 47 HD12 LEU 47 -4.108 1.684 5.531
171 HD13 LEU 47 HD13 LEU 47 -5.373 2.831 5.971
172 HD21 LEU 47 HD21 LEU 47 -7.316 3.155 4.517
173 HD22 LEU 47 HD22 LEU 47 -7.580 2.112 3.120
174 HD23 LEU 47 HD23 LEU 47 -6.358 3.382 3.053
175 H PHE 48 HN PHE 48 -5.294 0.757 0.009
176 HA PHE 48 HA PHE 48 -7.631 2.281 -0.455
177 HB2 PHE 48 HB2 PHE 48 -5.480 2.688 -1.611
178 HB3 PHE 48 HB1 PHE 48 -5.671 1.165 -2.472
179 HD1 PHE 48 HD1 PHE 48 -7.604 4.294 -1.831
180 HD2 PHE 48 HD2 PHE 48 -6.498 1.262 -4.606
181 HE1 PHE 48 HE1 PHE 48 -8.862 5.456 -3.596
182 HE2 PHE 48 HE2 PHE 48 -7.757 2.419 -6.376
183 HZ PHE 48 HZ PHE 48 -8.948 4.509 -5.874
184 H CYS 49 HN CYS 49 -6.615 -0.910 -1.643
185 HA CYS 49 HA CYS 49 -9.004 -1.389 -3.108
186 HB2 CYS 49 HB2 CYS 49 -6.898 -2.521 -3.652
187 HB3 CYS 49 HB1 CYS 49 -6.923 -3.336 -2.091
188 HG CYS 49 HG CYS 49 -7.652 -5.329 -3.739
189 H LEU 50 HN LEU 50 -8.131 -1.727 0.205
190 HA LEU 50 HA LEU 50 -9.781 -3.774 1.075
191 HB2 LEU 50 HB2 LEU 50 -8.075 -2.224 2.335
192 HB3 LEU 50 HB1 LEU 50 -9.508 -1.289 2.712
193 HG LEU 50 HG LEU 50 -10.513 -3.361 3.698
194 HD11 LEU 50 HD11 LEU 50 -9.242 -5.055 2.584
195 HD12 LEU 50 HD12 LEU 50 -8.903 -5.162 4.312
196 HD13 LEU 50 HD13 LEU 50 -7.729 -4.415 3.227
197 HD21 LEU 50 HD21 LEU 50 -7.917 -2.410 4.906
198 HD22 LEU 50 HD22 LEU 50 -9.212 -3.247 5.763
199 HD23 LEU 50 HD23 LEU 50 -9.493 -1.639 5.095
200 H LEU 51 HN LEU 51 -10.565 -0.422 0.363
201 HA LEU 51 HA LEU 51 -13.172 -0.402 1.433
202 HB2 LEU 51 HB2 LEU 51 -12.045 1.205 -0.862
203 HB3 LEU 51 HB1 LEU 51 -13.530 1.564 -0.003
204 HG LEU 51 HG LEU 51 -10.793 1.553 1.270
205 HD11 LEU 51 HD11 LEU 51 -12.474 3.865 0.314
206 HD12 LEU 51 HD12 LEU 51 -10.949 3.324 -0.385
207 HD13 LEU 51 HD13 LEU 51 -10.983 3.994 1.246
208 HD21 LEU 51 HD21 LEU 51 -13.471 2.520 2.266
209 HD22 LEU 51 HD22 LEU 51 -11.931 2.708 3.106
210 HD23 LEU 51 HD23 LEU 51 -12.599 1.097 2.837
211 H HIS 52 HN HIS 52 -11.884 -1.513 -1.623
212 HA HIS 52 HA HIS 52 -14.415 -1.733 -2.938
213 HB2 HIS 52 HB2 HIS 52 -12.322 -1.479 -4.201
214 HB3 HIS 52 HB1 HIS 52 -11.761 -3.033 -3.592
215 HD1 HIS 52 HD1 HIS 52 -12.714 -5.147 -4.683
216 HD2 HIS 52 HD2 HIS 52 -14.309 -1.624 -6.202
217 HE1 HIS 52 HE1 HIS 52 -13.968 -5.817 -6.757
218 HE2 HIS 52 HE2 HIS 52 -14.988 -3.680 -7.617
219 H PHE 53 HN PHE 53 -12.727 -3.639 -0.658
220 HA PHE 53 HA PHE 53 -13.536 -6.225 -1.298
221 HB2 PHE 53 HB2 PHE 53 -11.902 -5.574 0.492
222 HB3 PHE 53 HB1 PHE 53 -13.270 -5.105 1.496
223 HD1 PHE 53 HD1 PHE 53 -11.658 -7.959 -0.204
224 HD2 PHE 53 HD2 PHE 53 -14.496 -6.707 2.707
225 HE1 PHE 53 HE1 PHE 53 -11.849 -10.275 0.600
226 HE2 PHE 53 HE2 PHE 53 -14.693 -9.022 3.518
227 HZ PHE 53 HZ PHE 53 -13.367 -10.809 2.463
228 H GLY 54 HN GLY 54 -15.335 -3.578 0.048
229 HA2 GLY 54 HA2 GLY 54 -17.769 -3.699 -0.298
230 HA3 GLY 54 HA1 GLY 54 -17.684 -5.358 0.274
231 H VAL 55 HN VAL 55 -15.702 -3.058 1.877
232 HA VAL 55 HA VAL 55 -16.902 -3.526 4.385
233 HB VAL 55 HB VAL 55 -15.045 -1.284 3.576
234 HG11 VAL 55 HG11 VAL 55 -15.756 -2.356 6.305
235 HG12 VAL 55 HG12 VAL 55 -16.171 -0.769 5.658
236 HG13 VAL 55 HG13 VAL 55 -14.485 -1.179 5.974
237 HG21 VAL 55 HG21 VAL 55 -14.445 -3.979 4.795
238 HG22 VAL 55 HG22 VAL 55 -13.269 -2.704 4.473
239 HG23 VAL 55 HG23 VAL 55 -14.103 -3.492 3.135
240 H ILE 56 HN ILE 56 -17.439 -1.143 1.924
241 HA ILE 56 HA ILE 56 -19.498 0.100 3.621
242 HB ILE 56 HB ILE 56 -19.138 2.192 2.285
243 HG12 ILE 56 HG12 ILE 56 -16.572 0.802 1.486
244 HG13 ILE 56 HG11 ILE 56 -17.927 1.117 0.407
245 HG21 ILE 56 HG21 ILE 56 -17.185 2.904 3.587
246 HG22 ILE 56 HG22 ILE 56 -16.833 1.219 3.967
247 HG23 ILE 56 HG23 ILE 56 -18.315 1.966 4.562
248 HD11 ILE 56 HD11 ILE 56 -16.149 2.739 0.094
249 HD12 ILE 56 HD12 ILE 56 -16.255 3.200 1.793
250 HD13 ILE 56 HD13 ILE 56 -17.609 3.515 0.708
251 H GLY 57 HN GLY 57 -18.730 -1.435 0.705
252 HA2 GLY 57 HA2 GLY 57 -20.089 -2.205 -0.992
253 HA3 GLY 57 HA1 GLY 57 -21.465 -1.565 -0.104
254 HA PRO 58 HA PRO 58 -20.940 1.132 -3.812
255 HB2 PRO 58 HB2 PRO 58 -23.461 1.049 -4.706
256 HB3 PRO 58 HB1 PRO 58 -22.328 -0.270 -5.026
257 HG2 PRO 58 HG2 PRO 58 -24.492 -0.091 -2.966
258 HG3 PRO 58 HG1 PRO 58 -24.047 -1.457 -4.005
259 HD2 PRO 58 HD2 PRO 58 -23.261 -1.195 -1.383
260 HD3 PRO 58 HD1 PRO 58 -22.371 -2.132 -2.599
261 H GLN 59 HN GLN 59 -21.306 1.917 -1.039
262 HA GLN 59 HA GLN 59 -21.959 3.693 0.214
263 HB2 GLN 59 HB2 GLN 59 -20.959 4.955 -1.640
264 HB3 GLN 59 HB1 GLN 59 -22.498 4.936 -2.490
265 HG2 GLN 59 HG2 GLN 59 -22.102 7.077 -1.409
266 HG3 GLN 59 HG1 GLN 59 -23.512 6.265 -0.729
267 HE21 GLN 59 HE21 GLN 59 -20.224 5.349 0.003
268 HE22 GLN 59 HE22 GLN 59 -20.236 5.871 1.650
269 H ARG 60 HN ARG 60 -23.722 2.759 1.221
270 HA ARG 60 HA ARG 60 -26.348 3.163 -0.023
271 HB2 ARG 60 HB2 ARG 60 -25.542 1.454 2.336
272 HB3 ARG 60 HB1 ARG 60 -27.178 1.594 1.705
273 HG2 ARG 60 HG2 ARG 60 -24.801 0.505 0.208
274 HG3 ARG 60 HG1 ARG 60 -26.087 -0.449 0.947
275 HD2 ARG 60 HD2 ARG 60 -26.363 1.513 -1.326
276 HD3 ARG 60 HD1 ARG 60 -26.500 -0.242 -1.421
277 HE ARG 60 HE ARG 60 -28.400 0.522 0.399
278 HH11 ARG 60 HH11 ARG 60 -27.682 1.281 -2.925
279 HH12 ARG 60 HH12 ARG 60 -29.333 1.592 -3.345
280 HH21 ARG 60 HH21 ARG 60 -30.576 0.933 -0.143
281 HH22 ARG 60 HH22 ARG 60 -30.978 1.395 -1.763