Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628032 | 6ge2 RC | 34266 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H1 HIS 1 -4.505 11.242 0.524
2 H2 HIS 1 H2 HIS 1 -3.523 9.817 0.296
3 H3 HIS 1 H3 HIS 1 -4.654 10.303 -0.924
4 HA HIS 1 HA HIS 1 -5.570 8.415 0.315
5 HB2 HIS 1 HB2 HIS 1 -4.308 8.766 2.434
6 HB3 HIS 1 HB3 HIS 1 -5.209 10.263 2.743
7 HD1 HIS 1 HD1 HIS 1 -6.377 6.708 1.942
8 HD2 HIS 1 HD2 HIS 1 -6.820 9.787 4.767
9 HE1 HIS 1 HE1 HIS 1 -8.052 5.846 3.610
10 H AIB 2 H AIB 2 -7.969 8.307 0.731
11 HB11 AIB 2 H31 AIB 2 -11.467 9.241 0.602
12 HB12 AIB 2 H32 AIB 2 -10.385 7.972 -0.038
13 HB13 AIB 2 H33 AIB 2 -10.336 8.397 1.694
14 HB21 AIB 2 H21 AIB 2 -10.560 10.621 -1.292
15 HB22 AIB 2 H22 AIB 2 -8.886 11.224 -1.285
16 HB23 AIB 2 H23 AIB 2 -9.225 9.539 -1.773
17 H GLN 3 H GLN 3 -8.851 9.908 2.924
18 HA GLN 3 HA GLN 3 -9.277 11.332 4.691
19 HB2 GLN 3 H42 GLN 3 -8.920 13.584 2.628
20 HB3 GLN 3 H43 GLN 3 -8.863 13.754 4.395
21 HG2 GLN 3 H32 GLN 3 -6.829 12.281 4.496
22 HG3 GLN 3 H33 GLN 3 -6.875 12.110 2.728
23 HE21 GLN 3 H61 GLN 3 -5.664 15.701 4.432
24 HE22 GLN 3 H62 GLN 3 -6.504 14.561 5.409
25 H GLY 4 H GLY 4 -11.627 10.215 3.152
26 HA2 GLY 4 HA2 GLY 4 -13.912 10.679 2.932
27 HA3 GLY 4 HA3 GLY 4 -13.668 11.658 4.401
28 H THR 5 H THR 5 -12.906 11.834 0.822
29 HA THR 5 HA THR 5 -12.265 14.414 0.586
30 HB THR 5 HB THR 5 -14.232 12.990 -1.287
31 HG1 THR 5 HG1 THR 5 -12.158 12.359 -2.270
32 HG21 THR 5 HG21 THR 5 -13.194 14.472 -3.073
33 HG22 THR 5 HG22 THR 5 -14.079 15.434 -1.862
34 HG23 THR 5 HG23 THR 5 -12.293 15.355 -1.808
35 H PHE 6 H PHE 6 -15.730 13.350 1.106
36 HA PHE 6 HA PHE 6 -16.772 15.933 0.469
37 HB2 PHE 6 HB2 PHE 6 -18.323 14.050 0.498
38 HB3 PHE 6 HB3 PHE 6 -17.934 13.675 2.189
39 HD1 PHE 6 HD1 PHE 6 -19.513 14.444 3.809
40 HD2 PHE 6 HD2 PHE 6 -19.101 16.651 0.128
41 HE1 PHE 6 HE1 PHE 6 -21.317 15.977 4.514
42 HE2 PHE 6 HE2 PHE 6 -20.798 18.272 0.919
43 HZ PHE 6 HZ PHE 6 -21.926 17.924 3.105
44 H THR 7 H THR 7 -16.084 14.409 3.772
45 HA THR 7 HA THR 7 -16.730 16.888 5.042
46 HB THR 7 HB THR 7 -16.753 14.737 6.298
47 HG1 THR 7 HG1 THR 7 -15.149 16.814 7.447
48 HG21 THR 7 HG21 THR 7 -14.579 13.707 5.547
49 HG22 THR 7 HG22 THR 7 -13.668 15.029 6.330
50 HG23 THR 7 HG23 THR 7 -14.632 13.903 7.317
51 H SER 8 H SER 8 -13.577 15.542 3.759
52 HA SER 8 HA SER 8 -12.016 17.629 4.957
53 HB2 SER 8 HB2 SER 8 -10.913 15.659 3.998
54 HB3 SER 8 HB3 SER 8 -11.487 16.069 2.359
55 HG SER 8 HG SER 8 -10.143 18.040 2.596
56 H ASP 9 H ASP 9 -13.998 17.444 1.888
57 HA ASP 9 HA ASP 9 -12.978 19.987 0.977
58 HB2 ASP 9 HB2 ASP 9 -15.483 18.440 0.136
59 HB3 ASP 9 HB3 ASP 9 -14.967 20.000 -0.564
60 H LEU 10 H LEU 10 -15.784 18.981 3.143
61 HA LEU 10 HA LEU 10 -16.806 21.647 3.302
62 HB2 LEU 10 HB2 LEU 10 -16.703 19.508 5.503
63 HB3 LEU 10 HB3 LEU 10 -17.499 21.085 5.698
64 HG LEU 10 HG LEU 10 -18.326 18.980 3.611
65 HD11 LEU 10 HD11 LEU 10 -20.213 18.464 5.176
66 HD12 LEU 10 HD12 LEU 10 -18.650 18.127 5.950
67 HD13 LEU 10 HD13 LEU 10 -19.551 19.602 6.375
68 HD21 LEU 10 HD21 LEU 10 -20.463 20.321 3.516
69 HD22 LEU 10 HD22 LEU 10 -19.752 21.516 4.637
70 HD23 LEU 10 HD23 LEU 10 -19.085 21.309 2.993
71 H SER 11 H SER 11 -14.313 19.885 5.350
72 HA SER 11 HA SER 11 -13.700 22.058 6.968
73 HB2 SER 11 HB2 SER 11 -11.727 19.958 5.897
74 HB3 SER 11 HB3 SER 11 -11.534 20.913 7.391
75 HG SER 11 HG SER 11 -12.523 18.761 7.787
76 H LYS 12 H LYS 12 -12.477 21.337 3.634
77 HA LYS 12 HA LYS 12 -10.436 23.425 3.746
78 HB2 LYS 12 HB2 LYS 12 -11.834 22.044 1.378
79 HB3 LYS 12 HB3 LYS 12 -10.622 23.320 1.173
80 HG2 LYS 12 HG2 LYS 12 -8.884 22.041 2.217
81 HG3 LYS 12 HG3 LYS 12 -9.990 20.749 2.744
82 HD2 LYS 12 HD2 LYS 12 -10.438 20.046 0.447
83 HD3 LYS 12 HD3 LYS 12 -9.583 21.454 -0.230
84 HE2 LYS 12 HE2 LYS 12 -8.208 19.243 1.422
85 HE3 LYS 12 HE3 LYS 12 -8.345 19.250 -0.353
86 HZ1 LYS 12 HZ1 LYS 12 -6.843 21.301 1.317
87 HZ2 LYS 12 HZ2 LYS 12 -6.175 20.139 0.239
88 HZ3 LYS 12 HZ3 LYS 12 -7.128 21.434 -0.394
89 H GLN 13 H GLN 13 -13.830 23.123 2.440
90 HA GLN 13 HA GLN 13 -13.924 25.818 1.512
91 HB2 GLN 13 HB2 GLN 13 -16.119 23.815 2.278
92 HB3 GLN 13 HB3 GLN 13 -16.493 25.435 1.655
93 HG2 GLN 13 HG2 GLN 13 -15.207 24.988 -0.431
94 HG3 GLN 13 HG3 GLN 13 -14.744 23.383 0.130
95 HE21 GLN 13 HE21 GLN 13 -18.015 21.918 -0.376
96 HE22 GLN 13 HE22 GLN 13 -16.622 21.789 0.633
97 H LYS 14 H LYS 14 -14.536 24.477 4.837
98 HA LYS 14 HA LYS 14 -15.630 26.998 5.746
99 HB2 LYS 14 HB2 LYS 14 -14.108 24.967 7.497
100 HB3 LYS 14 HB3 LYS 14 -15.062 26.382 8.015
101 HG2 LYS 14 HG2 LYS 14 -17.091 25.243 6.810
102 HG3 LYS 14 HG3 LYS 14 -16.056 23.791 6.713
103 HD2 LYS 14 HD2 LYS 14 -15.701 24.167 9.332
104 HD3 LYS 14 HD3 LYS 14 -17.088 25.272 9.182
105 HE2 LYS 14 HE2 LYS 14 -18.040 23.112 9.810
106 HE3 LYS 14 HE3 LYS 14 -18.367 23.269 8.062
107 HZ1 LYS 14 HZ1 LYS 14 -15.843 21.960 8.507
108 H ASP 15 H ASP 15 -12.321 25.412 5.922
109 HA ASP 15 HA ASP 15 -11.004 27.453 7.161
110 HB2 ASP 15 H32 ASP 15 -9.896 25.324 6.396
111 HB3 ASP 15 H33 ASP 15 -9.843 25.930 4.735
112 H GLU 16 H GLU 16 -11.741 27.205 3.602
113 HA GLU 16 HA GLU 16 -10.377 29.574 2.833
114 HB2 GLU 16 HB2 GLU 16 -12.868 28.247 1.591
115 HB3 GLU 16 HB3 GLU 16 -11.994 29.616 0.863
116 HG2 GLU 16 HG2 GLU 16 -9.883 28.239 0.761
117 HG3 GLU 16 HG3 GLU 16 -10.774 26.830 1.383
118 H GLN 17 H GLN 17 -13.911 29.110 3.757
119 HA GLN 17 HA GLN 17 -14.482 31.908 3.361
120 HB2 GLN 17 H42 GLN 17 -16.243 30.119 3.388
121 HB3 GLN 17 H43 GLN 17 -15.946 29.850 5.126
122 HG2 GLN 17 H32 GLN 17 -16.603 32.284 5.554
123 HG3 GLN 17 H33 GLN 17 -16.950 32.454 3.811
124 HE21 GLN 17 H61 GLN 17 -20.203 31.784 5.449
125 HE22 GLN 17 H62 GLN 17 -19.058 33.075 5.406
126 H ARG 18 H ARG 18 -13.847 29.966 6.357
127 HA ARG 18 HA ARG 18 -13.876 32.042 8.242
128 HB2 ARG 18 H42 ARG 18 -12.161 29.485 8.001
129 HB3 ARG 18 H43 ARG 18 -12.046 30.519 9.426
130 HG2 ARG 18 H33 ARG 18 -14.420 30.223 9.957
131 HG3 ARG 18 H32 ARG 18 -14.710 29.308 8.449
132 HD2 ARG 18 H52 ARG 18 -13.189 27.521 9.218
133 HD3 ARG 18 H53 ARG 18 -12.948 28.401 10.777
134 HE ARG 18 H10 ARG 18 -15.738 28.155 10.453
135 HH11 ARG 18 H71 ARG 18 -16.902 26.516 11.464
136 HH12 ARG 18 H72 ARG 18 -16.124 25.049 11.945
137 HH21 ARG 18 H81 ARG 18 -12.945 25.964 10.824
138 HH22 ARG 18 H82 ARG 18 -13.916 24.716 11.586
139 H ALA 19 H ALA 19 -11.339 31.329 5.795
140 HA ALA 19 HA ALA 19 -9.392 33.024 7.195
141 HB1 ALA 19 H21 ALA 19 -8.556 31.002 5.997
142 HB2 ALA 19 H22 ALA 19 -9.207 31.620 4.457
143 HB3 ALA 19 H23 ALA 19 -7.873 32.482 5.272
144 H LYS 20 H LYS 20 -11.160 33.067 3.942
145 HA LYS 20 HA LYS 20 -10.167 35.630 3.258
146 HB2 LYS 20 H42 LYS 20 -11.353 34.205 1.595
147 HB3 LYS 20 H43 LYS 20 -12.892 34.418 2.490
148 HG2 LYS 20 H23 LYS 20 -12.823 36.875 2.033
149 HG3 LYS 20 H22 LYS 20 -11.208 36.730 1.303
150 HD2 LYS 20 H33 LYS 20 -12.861 36.968 -0.476
151 HD3 LYS 20 H32 LYS 20 -12.149 35.332 -0.565
152 HE2 LYS 20 H53 LYS 20 -14.170 34.344 0.471
153 HE3 LYS 20 H52 LYS 20 -14.869 35.968 0.736
154 HZ1 LYS 20 H71 LYS 20 -15.824 34.921 -1.241
155 HZ2 LYS 20 H72 LYS 20 -14.937 36.376 -1.651
156 HZ3 LYS 20 H73 LYS 20 -14.232 34.799 -1.976
157 H LEU 21 H LEU 21 -13.062 34.572 5.211
158 HA LEU 21 HA LEU 21 -13.948 37.200 5.805
159 HB2 LEU 21 HB2 LEU 21 -13.933 34.701 7.603
160 HB3 LEU 21 HB3 LEU 21 -14.501 36.293 8.157
161 HG LEU 21 HG LEU 21 -15.769 34.717 5.849
162 HD11 LEU 21 HD11 LEU 21 -17.594 34.292 7.559
163 HD12 LEU 21 HD12 LEU 21 -16.032 33.633 8.118
164 HD13 LEU 21 HD13 LEU 21 -16.639 35.172 8.784
165 HD21 LEU 21 HD21 LEU 21 -16.260 37.134 5.543
166 HD22 LEU 21 HD22 LEU 21 -17.700 36.366 6.234
167 HD23 LEU 21 HD23 LEU 21 -16.618 37.321 7.283
168 H PHE 22 H PHE 22 -11.653 35.054 7.798
169 HA PHE 22 HA PHE 22 -11.208 36.790 9.737
170 HB2 PHE 22 HB2 PHE 22 -10.000 34.638 9.686
171 HB3 PHE 22 HB3 PHE 22 -8.979 35.187 8.354
172 HD1 PHE 22 HD1 PHE 22 -6.959 36.465 8.822
173 HD2 PHE 22 HD2 PHE 22 -9.966 36.144 11.883
174 HE1 PHE 22 HE1 PHE 22 -5.303 37.163 10.525
175 HE2 PHE 22 HE2 PHE 22 -8.320 36.885 13.574
176 HZ PHE 22 HZ PHE 22 -5.960 37.309 12.916
177 H ILE 23 H ILE 23 -9.179 36.953 6.697
178 HA ILE 23 HA ILE 23 -7.995 39.387 7.680
179 HB ILE 23 HB ILE 23 -6.912 37.725 5.986
180 HG12 ILE 23 HG12 ILE 23 -5.778 39.485 4.596
181 HG13 ILE 23 HG13 ILE 23 -6.864 40.704 5.298
182 HG21 ILE 23 HG21 ILE 23 -8.614 39.270 3.946
183 HG22 ILE 23 HG22 ILE 23 -7.418 37.995 3.598
184 HG23 ILE 23 HG23 ILE 23 -8.927 37.579 4.431
185 HD11 ILE 23 HD11 ILE 23 -4.883 38.893 6.865
186 HD12 ILE 23 HD12 ILE 23 -4.565 40.585 6.416
187 HD13 ILE 23 HD13 ILE 23 -5.844 40.208 7.590
188 H GLU 24 H GLU 24 -10.831 38.826 5.465
189 HA GLU 24 HA GLU 24 -10.955 41.679 4.826
190 HB2 GLU 24 HB2 GLU 24 -13.057 39.469 4.495
191 HB3 GLU 24 HB3 GLU 24 -13.290 41.173 4.016
192 HG2 GLU 24 HG2 GLU 24 -11.323 41.013 2.463
193 HG3 GLU 24 HG3 GLU 24 -11.093 39.315 2.947
194 H TRP 25 H TRP 25 -13.090 39.500 6.855
195 HA TRP 25 HA TRP 25 -14.431 41.259 8.435
196 HB2 TRP 25 HB2 TRP 25 -14.464 38.813 8.758
197 HB3 TRP 25 HB3 TRP 25 -12.771 38.817 9.331
198 HD1 TRP 25 HD1 TRP 25 -16.068 40.433 10.435
199 HE1 TRP 25 HE1 TRP 25 -16.201 40.254 12.979
200 HE3 TRP 25 HE3 TRP 25 -11.350 38.580 11.392
201 HZ2 TRP 25 HZ2 TRP 25 -14.679 39.344 15.071
202 HZ3 TRP 25 HZ3 TRP 25 -10.709 38.201 13.769
203 HH2 TRP 25 HH2 TRP 25 -12.380 38.478 15.579
204 H LEU 26 H LEU 26 -10.826 40.543 8.834
205 HA LEU 26 HA LEU 26 -10.631 42.280 11.132
206 HB2 LEU 26 HB2 LEU 26 -8.459 41.489 9.147
207 HB3 LEU 26 HB3 LEU 26 -8.227 42.624 10.493
208 HG LEU 26 HG LEU 26 -8.868 39.634 10.825
209 HD11 LEU 26 HD11 LEU 26 -6.512 40.213 10.180
210 HD12 LEU 26 HD12 LEU 26 -6.403 41.359 11.554
211 HD13 LEU 26 HD13 LEU 26 -6.596 39.621 11.857
212 HD21 LEU 26 HD21 LEU 26 -10.040 40.710 12.645
213 HD22 LEU 26 HD22 LEU 26 -8.536 40.025 13.274
214 HD23 LEU 26 HD23 LEU 26 -8.638 41.786 12.970
215 H AIB 27 H ALA 27 -9.859 42.744 7.576
216 HB11 AIB 27 H21 ALA 27 -7.961 45.061 7.665
217 HB12 AIB 27 H22 ALA 27 -8.802 46.606 7.345
218 HB13 AIB 27 H23 ALA 27 -8.911 45.833 8.952
219 HB21 AIB 27 H31 ALA 27 -9.138 44.022 5.601
220 HB22 AIB 27 H32 ALA 27 -10.908 44.123 5.457
221 HB23 AIB 27 H33 ALA 27 -9.928 45.597 5.333
222 H ALA 28 H ALA 28 -12.609 43.985 7.535
223 HA ALA 28 HA ALA 28 -13.999 46.443 7.151
224 HB1 ALA 28 H21 ALA 28 -14.868 43.880 8.664
225 HB2 ALA 28 H22 ALA 28 -15.950 45.226 8.249
226 HB3 ALA 28 H23 ALA 28 -15.174 44.259 6.961
227 H GLY 29 H GLY 29 -13.150 44.607 10.143
228 HA2 GLY 29 HA2 GLY 29 -12.075 46.317 11.790
229 HA3 GLY 29 HA3 GLY 29 -13.695 47.043 11.790
230 H GLY 30 H GLY 30 -12.275 43.682 11.928
231 HA2 GLY 30 HA2 GLY 30 -13.264 41.825 12.979
232 HA3 GLY 30 HA3 GLY 30 -12.246 42.665 14.128
233 HA PRO 31 HA PRO 31 -16.323 41.778 16.126
234 HB2 PRO 31 HB2 PRO 31 -14.884 42.879 18.566
235 HB3 PRO 31 HB3 PRO 31 -15.897 41.421 18.437
236 HG2 PRO 31 HG2 PRO 31 -13.141 41.193 18.474
237 HG3 PRO 31 HG3 PRO 31 -14.128 40.177 17.381
238 HD2 PRO 31 HD2 PRO 31 -12.506 42.651 16.591
239 HD3 PRO 31 HD3 PRO 31 -12.738 41.091 15.756
240 HA PRO 32 HA PRO 32 -16.757 46.511 17.609
241 HB2 PRO 32 HB2 PRO 32 -14.949 47.383 15.280
242 HB3 PRO 32 HB3 PRO 32 -15.386 48.339 16.735
243 HG2 PRO 32 HG2 PRO 32 -13.013 47.071 16.771
244 HG3 PRO 32 HG3 PRO 32 -14.101 46.791 18.167
245 HD2 PRO 32 HD3 PRO 32 -13.682 44.981 15.734
246 HD3 PRO 32 HD2 PRO 32 -13.686 44.536 17.482
247 H SER 33 H SER 33 -16.340 45.461 14.096
248 HA SER 33 HA SER 33 -18.480 47.138 13.197
249 HB2 SER 33 HB2 SER 33 -17.548 44.502 11.951
250 HB3 SER 33 HB3 SER 33 -18.401 45.828 11.105
251 HG SER 33 HG SER 33 -16.053 45.966 10.811
252 H AIB 34 H AIB 34 -18.712 44.252 15.182
253 HB11 AIB 34 H31 AIB 34 -22.782 43.782 15.490
254 HB12 AIB 34 H32 AIB 34 -21.707 45.094 16.038
255 HB13 AIB 34 H33 AIB 34 -22.277 45.042 14.353
256 HB21 AIB 34 H21 AIB 34 -19.510 42.009 15.906
257 HB22 AIB 34 H22 AIB 34 -20.322 43.171 16.984
258 HB23 AIB 34 H23 AIB 34 -21.267 41.907 16.158
259 H LYS 35 H LYS 35 -18.858 42.245 13.539
260 HA LYS 35 HA LYS 35 -20.872 40.820 11.837
261 HB2 LYS 35 H42 LYS 35 -18.071 41.854 11.137
262 HB3 LYS 35 H43 LYS 35 -19.034 40.768 10.102
263 HG2 LYS 35 H23 LYS 35 -20.854 42.482 9.941
264 HG3 LYS 35 H22 LYS 35 -19.958 43.556 11.044
265 HD2 LYS 35 H33 LYS 35 -18.116 43.798 9.390
266 HD3 LYS 35 H32 LYS 35 -18.935 42.665 8.277
267 HE2 LYS 35 H53 LYS 35 -20.834 44.178 7.990
268 HE3 LYS 35 H52 LYS 35 -20.228 45.289 9.247
269 HZ1 LYS 35 H71 LYS 35 -18.298 45.827 7.887
270 HZ2 LYS 35 H72 LYS 35 -18.792 44.668 6.658
271 HZ3 LYS 35 H73 LYS 35 -19.767 46.098 6.966
272 HA PRO 36 HA PRO 36 -19.420 37.767 14.446
273 HB2 PRO 36 HB2 PRO 36 -19.653 35.337 13.003
274 HB3 PRO 36 HB3 PRO 36 -21.055 36.338 13.506
275 HG2 PRO 36 HG2 PRO 36 -19.575 36.453 10.835
276 HG3 PRO 36 HG3 PRO 36 -21.333 36.180 11.063
277 HD2 PRO 36 HD2 PRO 36 -20.424 38.709 10.533
278 HD3 PRO 36 HD3 PRO 36 -21.636 38.504 11.857
279 HA PRO 37 HA PRO 37 -15.068 36.952 13.603
280 HB2 PRO 37 HB2 PRO 37 -14.442 35.047 15.525
281 HB3 PRO 37 HB3 PRO 37 -15.038 36.674 15.974
282 HG2 PRO 37 HG2 PRO 37 -16.717 34.126 15.620
283 HG3 PRO 37 HG3 PRO 37 -16.588 35.111 17.114
284 HD2 PRO 37 HD2 PRO 37 -18.629 35.523 15.326
285 HD3 PRO 37 HD3 PRO 37 -17.822 36.952 16.090
286 HA PRO 38 HA PRO 38 -14.784 33.681 10.620
287 HB2 PRO 38 HB2 PRO 38 -12.857 32.200 12.505
288 HB3 PRO 38 HB3 PRO 38 -12.743 32.341 10.723
289 HG2 PRO 38 HG2 PRO 38 -11.262 34.065 12.148
290 HG3 PRO 38 HG3 PRO 38 -12.350 34.775 10.914
291 HD2 PRO 38 HD2 PRO 38 -12.874 34.487 13.915
292 HD3 PRO 38 HD3 PRO 38 -13.035 35.980 12.907
293 H LYS 39 H LYS 39 -15.202 32.265 13.834
294 HA LYS 39 HA LYS 39 -16.994 30.353 13.041
295 HB2 LYS 39 H42 LYS 39 -15.308 30.430 15.601
296 HB3 LYS 39 H43 LYS 39 -16.533 29.195 15.214
297 HG2 LYS 39 H23 LYS 39 -15.284 28.462 13.219
298 HG3 LYS 39 H22 LYS 39 -14.088 29.766 13.418
299 HD2 LYS 39 H33 LYS 39 -13.267 28.821 15.521
300 HD3 LYS 39 H32 LYS 39 -14.553 27.585 15.546
301 HE2 LYS 39 H53 LYS 39 -13.667 26.506 13.536
302 HE3 LYS 39 H52 LYS 39 -12.442 27.773 13.300
303 HZ1 LYS 39 H71 LYS 39 -12.598 25.897 15.665
304 HZ2 LYS 39 H73 LYS 39 -11.379 27.141 15.404
305 HZ3 LYS 39 H72 LYS 39 -11.485 25.773 14.307
306 HN1 NH2 40 H11 LYS 39 -19.033 33.126 14.331
307 HN2 NH2 40 H12 LYS 39 -18.062 32.836 12.942
308 H93 EVT 101 H93 XXX 40 -12.658 22.485 9.170
309 H92 EVT 101 H92 XXX 40 -12.170 23.146 10.744
310 H103 EVT 101 H103 XXX 40 -11.612 20.244 9.857
311 H102 EVT 101 H102 XXX 40 -10.430 21.570 9.753
312 H11 EVT 101 H11 XXX 40 -11.796 20.652 12.348
313 H122 EVT 101 H122 XXX 40 -8.226 23.283 13.714
314 H123 EVT 101 H123 XXX 40 -9.696 24.013 14.406
315 H133 EVT 101 H133 XXX 40 -9.497 22.528 16.416
316 H132 EVT 101 H132 XXX 40 -8.089 23.594 16.235
317 H143 EVT 101 H143 XXX 40 -6.725 21.762 15.303
318 H142 EVT 101 H142 XXX 40 -8.136 20.691 15.201
319 H153 EVT 101 H153 XXX 40 -8.371 20.918 17.773
320 H152 EVT 101 H152 XXX 40 -6.760 21.676 17.768
321 H6 EVT 101 H6 XXX 40 -13.959 20.216 9.381
322 H163 EVT 101 H163 XXX 40 -5.799 19.573 16.739
323 H162 EVT 101 H162 XXX 40 -7.445 18.917 16.601
324 H173 EVT 101 H173 XXX 40 -7.611 19.122 19.193
325 H172 EVT 101 H172 XXX 40 -5.866 19.462 19.177
326 H183 EVT 101 H183 XXX 40 -6.182 17.094 19.675
327 H182 EVT 101 H182 XXX 40 -5.491 17.196 18.034
328 H193 EVT 101 H193 XXX 40 -7.695 16.715 17.026
329 H192 EVT 101 H192 XXX 40 -8.511 16.895 18.600
330 H203 EVT 101 H203 XXX 40 -7.447 14.843 19.434
331 H202 EVT 101 H202 XXX 40 -6.428 14.714 17.973
332 H213 EVT 101 H213 XXX 40 -8.442 14.431 16.547
333 H212 EVT 101 H212 XXX 40 -9.519 14.622 17.953
334 H223 EVT 101 H223 XXX 40 -8.684 12.545 18.979
335 H222 EVT 101 H222 XXX 40 -7.465 12.349 17.684
336 H25 EVT 101 H25 XXX 40 -9.827 22.763 11.838
337 H293 EVT 101 H293 XXX 40 -9.261 12.151 15.987
338 H292 EVT 101 H292 XXX 40 -10.522 12.392 17.227
339 H303 EVT 101 H303 XXX 40 -9.781 10.303 18.401
340 H302 EVT 101 H302 XXX 40 -8.554 10.013 17.144
341 H313 EVT 101 H313 XXX 40 -11.598 10.172 16.636
342 H312 EVT 101 H312 XXX 40 -10.675 8.666 16.859
343 H321 EVT 101 H321 XXX 40 -10.347 10.655 14.511
344 H323 EVT 101 H323 XXX 40 -11.006 9.006 14.446
345 H322 EVT 101 H322 XXX 40 -9.276 9.253 14.804
346 H353 EVT 101 H353 XXX 40 -15.753 19.663 7.856
347 H352 EVT 101 H352 XXX 40 -17.228 18.692 7.955
348 H363 EVT 101 H363 XXX 40 -15.569 18.102 9.764
349 H362 EVT 101 H362 XXX 40 -17.149 18.620 10.396
350 H37 EVT 101 H37 XXX 40 -16.288 20.838 10.997
Start of MODEL 2
1 H1 HIS 1 H1 HIS 1 -4.570 16.679 -5.820
2 H2 HIS 1 H2 HIS 1 -3.909 15.958 -7.259
3 H3 HIS 1 H3 HIS 1 -5.493 16.655 -7.285
4 HA HIS 1 HA HIS 1 -5.609 14.217 -7.214
5 HB2 HIS 1 HB2 HIS 1 -3.474 13.822 -5.946
6 HB3 HIS 1 HB3 HIS 1 -4.233 14.496 -4.481
7 HD1 HIS 1 HD1 HIS 1 -5.110 11.776 -7.016
8 HD2 HIS 1 HD2 HIS 1 -5.065 12.539 -2.883
9 HE1 HIS 1 HE1 HIS 1 -5.903 9.640 -5.911
10 H AIB 2 H AIB 2 -7.631 13.354 -6.302
11 HB11 AIB 2 H31 AIB 2 -9.572 12.316 -4.930
12 HB12 AIB 2 H32 AIB 2 -10.981 13.401 -4.917
13 HB13 AIB 2 H33 AIB 2 -10.143 13.037 -6.448
14 HB21 AIB 2 H21 AIB 2 -10.677 15.902 -5.451
15 HB22 AIB 2 H22 AIB 2 -9.054 16.568 -5.731
16 HB23 AIB 2 H23 AIB 2 -9.792 15.482 -6.933
17 H GLN 3 H GLN 3 -7.753 12.998 -3.388
18 HA GLN 3 HA GLN 3 -7.838 12.823 -1.073
19 HB2 GLN 3 H42 GLN 3 -7.954 15.894 -1.219
20 HB3 GLN 3 H43 GLN 3 -7.645 14.927 0.236
21 HG2 GLN 3 H32 GLN 3 -5.557 13.997 -0.770
22 HG3 GLN 3 H33 GLN 3 -5.872 14.909 -2.272
23 HE21 GLN 3 H61 GLN 3 -4.740 17.016 1.158
24 HE22 GLN 3 H62 GLN 3 -5.635 15.563 1.370
25 H GLY 4 H GLY 4 -10.323 12.341 -2.440
26 HA2 GLY 4 HA2 GLY 4 -12.594 12.187 -1.875
27 HA3 GLY 4 HA3 GLY 4 -12.169 12.829 -0.280
28 H THR 5 H THR 5 -13.103 13.749 -3.661
29 HA THR 5 HA THR 5 -12.405 16.438 -3.487
30 HB THR 5 HB THR 5 -14.900 15.421 -4.943
31 HG1 THR 5 HG1 THR 5 -13.314 14.819 -6.608
32 HG21 THR 5 HG21 THR 5 -12.813 17.587 -5.698
33 HG22 THR 5 HG22 THR 5 -14.286 17.178 -6.625
34 HG23 THR 5 HG23 THR 5 -14.425 17.942 -5.024
35 H PHE 6 H PHE 6 -15.438 14.810 -2.278
36 HA PHE 6 HA PHE 6 -16.749 17.347 -1.830
37 HB2 PHE 6 HB2 PHE 6 -18.041 15.251 -2.193
38 HB3 PHE 6 HB3 PHE 6 -17.457 14.605 -0.647
39 HD1 PHE 6 HD1 PHE 6 -18.320 15.525 1.496
40 HD2 PHE 6 HD2 PHE 6 -19.503 17.282 -2.251
41 HE1 PHE 6 HE1 PHE 6 -20.168 16.722 2.629
42 HE2 PHE 6 HE2 PHE 6 -21.306 18.536 -1.092
43 HZ PHE 6 HZ PHE 6 -21.626 18.268 1.357
44 H THR 7 H THR 7 -15.201 14.941 0.517
45 HA THR 7 HA THR 7 -15.704 16.671 2.716
46 HB THR 7 HB THR 7 -15.012 14.224 2.906
47 HG1 THR 7 HG1 THR 7 -14.974 15.644 4.796
48 HG21 THR 7 HG21 THR 7 -12.611 13.685 3.054
49 HG22 THR 7 HG22 THR 7 -12.967 14.323 1.428
50 HG23 THR 7 HG23 THR 7 -12.163 15.360 2.647
51 H SER 8 H SER 8 -12.978 16.496 0.307
52 HA SER 8 HA SER 8 -11.301 18.371 1.648
53 HB2 SER 8 HB2 SER 8 -10.477 17.056 -0.293
54 HB3 SER 8 HB3 SER 8 -11.652 17.866 -1.368
55 HG SER 8 HG SER 8 -9.524 18.926 -1.396
56 H ASP 9 H ASP 9 -14.073 18.758 -0.753
57 HA ASP 9 HA ASP 9 -13.799 21.588 -0.853
58 HB2 ASP 9 HB2 ASP 9 -16.295 19.850 -1.288
59 HB3 ASP 9 HB3 ASP 9 -16.270 21.614 -1.516
60 H LEU 10 H LEU 10 -15.576 19.437 1.574
61 HA LEU 10 HA LEU 10 -16.829 21.649 2.852
62 HB2 LEU 10 HB2 LEU 10 -15.593 19.217 4.267
63 HB3 LEU 10 HB3 LEU 10 -16.681 20.402 5.024
64 HG LEU 10 HG LEU 10 -17.487 18.510 2.735
65 HD11 LEU 10 HD11 LEU 10 -18.641 17.194 4.483
66 HD12 LEU 10 HD12 LEU 10 -16.915 17.310 4.890
67 HD13 LEU 10 HD13 LEU 10 -18.097 18.330 5.750
68 HD21 LEU 10 HD21 LEU 10 -19.195 20.333 4.551
69 HD22 LEU 10 HD22 LEU 10 -18.922 20.587 2.807
70 HD23 LEU 10 HD23 LEU 10 -19.830 19.166 3.361
71 H SER 11 H SER 11 -13.518 20.147 3.352
72 HA SER 11 HA SER 11 -12.813 21.962 5.406
73 HB2 SER 11 HB2 SER 11 -11.509 19.889 4.870
74 HB3 SER 11 HB3 SER 11 -10.904 20.659 3.380
75 HG SER 11 HG SER 11 -9.946 22.293 4.865
76 H LYS 12 H LYS 12 -12.662 22.334 1.795
77 HA LYS 12 HA LYS 12 -11.066 24.779 2.044
78 HB2 LYS 12 HB2 LYS 12 -12.822 23.863 -0.306
79 HB3 LYS 12 HB3 LYS 12 -11.719 25.266 -0.300
80 HG2 LYS 12 HG2 LYS 12 -9.760 23.776 0.111
81 HG3 LYS 12 HG3 LYS 12 -10.830 22.352 0.075
82 HD2 LYS 12 HD2 LYS 12 -11.506 22.927 -2.295
83 HD3 LYS 12 HD3 LYS 12 -10.386 24.319 -2.262
84 HE2 LYS 12 HE2 LYS 12 -8.456 22.771 -1.867
85 HE3 LYS 12 HE3 LYS 12 -9.571 21.379 -1.878
86 HZ1 LYS 12 HZ1 LYS 12 -8.469 21.617 -4.047
87 HZ2 LYS 12 HZ2 LYS 12 -10.176 21.893 -4.204
88 HZ3 LYS 12 HZ3 LYS 12 -9.063 23.247 -4.213
89 H GLN 13 H GLN 13 -14.578 23.972 1.631
90 HA GLN 13 HA GLN 13 -15.542 26.599 1.328
91 HB2 GLN 13 HB2 GLN 13 -16.780 24.146 2.698
92 HB3 GLN 13 HB3 GLN 13 -17.669 25.672 2.488
93 HG2 GLN 13 HG2 GLN 13 -17.638 25.504 0.074
94 HG3 GLN 13 HG3 GLN 13 -16.435 24.227 0.053
95 HE21 GLN 13 HE21 GLN 13 -20.321 23.265 1.215
96 HE22 GLN 13 HE22 GLN 13 -19.790 24.889 1.444
97 H LYS 14 H LYS 14 -14.926 24.710 4.415
98 HA LYS 14 HA LYS 14 -15.803 27.003 5.981
99 HB2 LYS 14 HB2 LYS 14 -14.067 24.706 7.064
100 HB3 LYS 14 HB3 LYS 14 -15.028 25.911 7.952
101 HG2 LYS 14 HG2 LYS 14 -17.117 24.891 6.840
102 HG3 LYS 14 HG3 LYS 14 -16.062 23.621 6.200
103 HD2 LYS 14 HD2 LYS 14 -15.300 23.586 8.902
104 HD3 LYS 14 HD3 LYS 14 -16.997 24.088 9.023
105 HE2 LYS 14 HE2 LYS 14 -16.926 21.654 9.170
106 HE3 LYS 14 HE3 LYS 14 -17.545 22.005 7.531
107 HZ1 LYS 14 HZ1 LYS 14 -14.732 21.830 7.325
108 H ASP 15 H ASP 15 -12.557 25.393 5.390
109 HA ASP 15 HA ASP 15 -11.134 27.152 6.955
110 HB2 ASP 15 H32 ASP 15 -10.151 25.093 5.839
111 HB3 ASP 15 H33 ASP 15 -10.107 25.966 4.294
112 H GLU 16 H GLU 16 -11.886 27.471 3.416
113 HA GLU 16 HA GLU 16 -10.238 29.832 3.142
114 HB2 GLU 16 HB2 GLU 16 -12.364 28.740 1.228
115 HB3 GLU 16 HB3 GLU 16 -11.207 30.036 0.856
116 HG2 GLU 16 HG2 GLU 16 -9.279 28.517 1.190
117 HG3 GLU 16 HG3 GLU 16 -10.367 27.171 1.603
118 H GLN 17 H GLN 17 -13.830 29.293 3.702
119 HA GLN 17 HA GLN 17 -14.384 32.132 3.374
120 HB2 GLN 17 H42 GLN 17 -16.260 30.586 3.221
121 HB3 GLN 17 H43 GLN 17 -15.952 29.941 4.852
122 HG2 GLN 17 H32 GLN 17 -16.541 32.113 5.898
123 HG3 GLN 17 H33 GLN 17 -16.636 32.888 4.302
124 HE21 GLN 17 H61 GLN 17 -19.886 31.601 3.510
125 HE22 GLN 17 H62 GLN 17 -18.475 32.323 2.838
126 H ARG 18 H ARG 18 -13.789 29.975 6.240
127 HA ARG 18 HA ARG 18 -13.907 31.933 8.257
128 HB2 ARG 18 H42 ARG 18 -12.104 29.463 7.912
129 HB3 ARG 18 H43 ARG 18 -12.089 30.398 9.409
130 HG2 ARG 18 H33 ARG 18 -14.419 29.956 9.904
131 HG3 ARG 18 H32 ARG 18 -14.702 29.221 8.308
132 HD2 ARG 18 H52 ARG 18 -13.106 27.387 8.845
133 HD3 ARG 18 H53 ARG 18 -12.866 28.097 10.484
134 HE ARG 18 H10 ARG 18 -15.677 27.720 10.033
135 HH11 ARG 18 H71 ARG 18 -16.734 25.965 10.960
136 HH12 ARG 18 H72 ARG 18 -15.858 24.553 11.433
137 HH21 ARG 18 H81 ARG 18 -12.735 25.755 10.426
138 HH22 ARG 18 H82 ARG 18 -13.610 24.411 11.135
139 H ALA 19 H ALA 19 -11.294 31.346 5.861
140 HA ALA 19 HA ALA 19 -9.403 33.026 7.369
141 HB1 ALA 19 H21 ALA 19 -8.594 30.956 6.270
142 HB2 ALA 19 H22 ALA 19 -9.061 31.600 4.670
143 HB3 ALA 19 H23 ALA 19 -7.780 32.406 5.615
144 H LYS 20 H LYS 20 -11.036 33.049 4.065
145 HA LYS 20 HA LYS 20 -10.101 35.627 3.345
146 HB2 LYS 20 H42 LYS 20 -11.320 34.182 1.728
147 HB3 LYS 20 H43 LYS 20 -12.805 34.294 2.696
148 HG2 LYS 20 H23 LYS 20 -12.930 36.765 2.238
149 HG3 LYS 20 H22 LYS 20 -11.341 36.701 1.445
150 HD2 LYS 20 H33 LYS 20 -13.022 36.832 -0.285
151 HD3 LYS 20 H32 LYS 20 -12.310 35.203 -0.355
152 HE2 LYS 20 H53 LYS 20 -14.320 34.271 0.830
153 HE3 LYS 20 H52 LYS 20 -14.991 35.912 0.997
154 HZ1 LYS 20 H71 LYS 20 -14.412 34.523 -1.621
155 HZ2 LYS 20 H72 LYS 20 -15.995 34.688 -0.869
156 HZ3 LYS 20 H73 LYS 20 -15.133 36.116 -1.423
157 H LEU 21 H LEU 21 -12.942 34.520 5.353
158 HA LEU 21 HA LEU 21 -13.857 37.146 5.946
159 HB2 LEU 21 HB2 LEU 21 -13.916 34.600 7.683
160 HB3 LEU 21 HB3 LEU 21 -14.416 36.182 8.302
161 HG LEU 21 HG LEU 21 -15.755 34.742 5.949
162 HD11 LEU 21 HD11 LEU 21 -17.591 34.333 7.575
163 HD12 LEU 21 HD12 LEU 21 -16.080 33.586 8.156
164 HD13 LEU 21 HD13 LEU 21 -16.645 35.131 8.864
165 HD21 LEU 21 HD21 LEU 21 -16.145 37.191 5.702
166 HD22 LEU 21 HD22 LEU 21 -17.603 36.489 6.417
167 HD23 LEU 21 HD23 LEU 21 -16.442 37.349 7.458
168 H PHE 22 H PHE 22 -11.638 35.005 8.023
169 HA PHE 22 HA PHE 22 -11.059 36.711 9.923
170 HB2 PHE 22 HB2 PHE 22 -9.788 34.628 9.832
171 HB3 PHE 22 HB3 PHE 22 -8.934 35.127 8.380
172 HD1 PHE 22 HD1 PHE 22 -6.883 36.359 8.497
173 HD2 PHE 22 HD2 PHE 22 -9.467 36.296 11.933
174 HE1 PHE 22 HE1 PHE 22 -5.056 37.275 9.877
175 HE2 PHE 22 HE2 PHE 22 -7.632 37.237 13.313
176 HZ PHE 22 HZ PHE 22 -5.395 37.620 12.310
177 H ILE 23 H ILE 23 -9.106 36.948 6.852
178 HA ILE 23 HA ILE 23 -7.986 39.398 7.873
179 HB ILE 23 HB ILE 23 -6.811 37.722 6.317
180 HG12 ILE 23 HG12 ILE 23 -5.540 39.433 4.986
181 HG13 ILE 23 HG13 ILE 23 -6.708 40.672 5.490
182 HG21 ILE 23 HG21 ILE 23 -8.381 39.193 4.112
183 HG22 ILE 23 HG22 ILE 23 -7.134 37.938 3.899
184 HG23 ILE 23 HG23 ILE 23 -8.700 37.512 4.617
185 HD11 ILE 23 HD11 ILE 23 -4.945 38.985 7.413
186 HD12 ILE 23 HD12 ILE 23 -4.537 40.620 6.824
187 HD13 ILE 23 HD13 ILE 23 -5.933 40.389 7.890
188 H GLU 24 H GLU 24 -10.700 38.766 5.511
189 HA GLU 24 HA GLU 24 -10.826 41.604 4.820
190 HB2 GLU 24 HB2 GLU 24 -12.893 39.373 4.419
191 HB3 GLU 24 HB3 GLU 24 -13.117 41.071 3.927
192 HG2 GLU 24 HG2 GLU 24 -11.103 40.928 2.446
193 HG3 GLU 24 HG3 GLU 24 -10.849 39.235 2.937
194 H TRP 25 H TRP 25 -13.010 39.425 6.801
195 HA TRP 25 HA TRP 25 -14.467 41.228 8.234
196 HB2 TRP 25 HB2 TRP 25 -14.538 38.788 8.673
197 HB3 TRP 25 HB3 TRP 25 -12.867 38.806 9.295
198 HD1 TRP 25 HD1 TRP 25 -16.195 40.539 10.263
199 HE1 TRP 25 HE1 TRP 25 -16.387 40.439 12.793
200 HE3 TRP 25 HE3 TRP 25 -11.547 38.602 11.408
201 HZ2 TRP 25 HZ2 TRP 25 -15.008 39.481 14.943
202 HZ3 TRP 25 HZ3 TRP 25 -11.038 38.168 13.807
203 HH2 TRP 25 HH2 TRP 25 -12.794 38.474 15.542
204 H LEU 26 H LEU 26 -10.909 40.514 8.882
205 HA LEU 26 HA LEU 26 -10.845 42.280 11.143
206 HB2 LEU 26 HB2 LEU 26 -8.542 41.474 9.301
207 HB3 LEU 26 HB3 LEU 26 -8.414 42.665 10.610
208 HG LEU 26 HG LEU 26 -8.986 39.662 10.986
209 HD11 LEU 26 HD11 LEU 26 -6.637 40.223 10.460
210 HD12 LEU 26 HD12 LEU 26 -6.616 41.473 11.741
211 HD13 LEU 26 HD13 LEU 26 -6.781 39.763 12.176
212 HD21 LEU 26 HD21 LEU 26 -10.307 40.769 12.727
213 HD22 LEU 26 HD22 LEU 26 -8.828 40.108 13.422
214 HD23 LEU 26 HD23 LEU 26 -8.934 41.865 13.095
215 H AIB 27 H ALA 27 -9.904 42.687 7.624
216 HB11 AIB 27 H21 ALA 27 -8.970 45.763 9.015
217 HB12 AIB 27 H22 ALA 27 -7.948 44.983 7.790
218 HB13 AIB 27 H23 ALA 27 -8.749 46.538 7.424
219 HB21 AIB 27 H31 ALA 27 -8.982 43.947 5.693
220 HB22 AIB 27 H32 ALA 27 -10.742 44.027 5.428
221 HB23 AIB 27 H33 ALA 27 -9.764 45.506 5.329
222 H ALA 28 H ALA 28 -12.621 44.002 7.306
223 HA ALA 28 HA ALA 28 -13.881 46.482 6.802
224 HB1 ALA 28 H21 ALA 28 -14.965 43.989 8.292
225 HB2 ALA 28 H22 ALA 28 -15.962 45.387 7.829
226 HB3 ALA 28 H23 ALA 28 -15.169 44.385 6.577
227 H GLY 29 H GLY 29 -13.414 44.674 9.880
228 HA2 GLY 29 HA2 GLY 29 -12.344 46.476 11.511
229 HA3 GLY 29 HA3 GLY 29 -14.008 47.096 11.500
230 H GLY 30 H GLY 30 -12.459 43.807 11.628
231 HA2 GLY 30 HA2 GLY 30 -13.471 41.942 12.677
232 HA3 GLY 30 HA3 GLY 30 -12.358 42.729 13.777
233 HA PRO 31 HA PRO 31 -16.292 41.948 16.059
234 HB2 PRO 31 HB2 PRO 31 -14.612 42.976 18.385
235 HB3 PRO 31 HB3 PRO 31 -15.690 41.562 18.315
236 HG2 PRO 31 HG2 PRO 31 -12.960 41.226 18.145
237 HG3 PRO 31 HG3 PRO 31 -14.079 40.261 17.134
238 HD2 PRO 31 HD2 PRO 31 -12.430 42.693 16.246
239 HD3 PRO 31 HD3 PRO 31 -12.738 41.147 15.413
240 HA PRO 32 HA PRO 32 -16.424 46.670 17.545
241 HB2 PRO 32 HB2 PRO 32 -14.770 47.471 15.081
242 HB3 PRO 32 HB3 PRO 32 -15.071 48.466 16.543
243 HG2 PRO 32 HG2 PRO 32 -12.738 47.118 16.444
244 HG3 PRO 32 HG3 PRO 32 -13.742 46.868 17.900
245 HD2 PRO 32 HD3 PRO 32 -13.555 45.054 15.445
246 HD3 PRO 32 HD2 PRO 32 -13.444 44.608 17.192
247 H SER 33 H SER 33 -16.348 45.488 14.053
248 HA SER 33 HA SER 33 -18.532 47.184 13.264
249 HB2 SER 33 HB2 SER 33 -17.767 44.467 12.075
250 HB3 SER 33 HB3 SER 33 -18.666 45.782 11.263
251 HG SER 33 HG SER 33 -16.338 45.793 10.730
252 H AIB 34 H AIB 34 -18.520 44.301 15.292
253 HB11 AIB 34 H31 AIB 34 -22.191 45.086 14.919
254 HB12 AIB 34 H32 AIB 34 -22.535 43.853 16.140
255 HB13 AIB 34 H33 AIB 34 -21.422 45.189 16.522
256 HB21 AIB 34 H21 AIB 34 -19.260 42.080 16.181
257 HB22 AIB 34 H22 AIB 34 -19.827 43.324 17.319
258 HB23 AIB 34 H23 AIB 34 -20.949 42.069 16.738
259 H LYS 35 H LYS 35 -18.870 42.264 13.792
260 HA LYS 35 HA LYS 35 -21.061 40.823 12.358
261 HB2 LYS 35 H42 LYS 35 -18.344 41.850 11.320
262 HB3 LYS 35 H43 LYS 35 -19.354 40.666 10.457
263 HG2 LYS 35 H23 LYS 35 -21.232 42.298 10.340
264 HG3 LYS 35 H22 LYS 35 -20.276 43.500 11.252
265 HD2 LYS 35 H33 LYS 35 -18.667 43.724 9.414
266 HD3 LYS 35 H32 LYS 35 -19.324 42.281 8.599
267 HE2 LYS 35 H53 LYS 35 -20.065 44.272 7.405
268 HE3 LYS 35 H52 LYS 35 -21.468 43.439 8.112
269 HZ1 LYS 35 H71 LYS 35 -21.591 45.881 8.354
270 HZ2 LYS 35 H72 LYS 35 -21.525 45.090 9.918
271 HZ3 LYS 35 H73 LYS 35 -20.089 45.876 9.268
272 HA PRO 36 HA PRO 36 -19.326 37.750 14.731
273 HB2 PRO 36 HB2 PRO 36 -19.645 35.335 13.274
274 HB3 PRO 36 HB3 PRO 36 -20.990 36.284 13.971
275 HG2 PRO 36 HG2 PRO 36 -19.898 36.482 11.124
276 HG3 PRO 36 HG3 PRO 36 -21.599 36.196 11.617
277 HD2 PRO 36 HD2 PRO 36 -20.774 38.732 10.990
278 HD3 PRO 36 HD3 PRO 36 -21.797 38.495 12.464
279 HA PRO 37 HA PRO 37 -15.050 36.898 13.598
280 HB2 PRO 37 HB2 PRO 37 -14.391 34.842 15.397
281 HB3 PRO 37 HB3 PRO 37 -14.840 36.478 15.955
282 HG2 PRO 37 HG2 PRO 37 -16.689 34.058 15.597
283 HG3 PRO 37 HG3 PRO 37 -16.400 34.957 17.121
284 HD2 PRO 37 HD2 PRO 37 -18.541 35.584 15.535
285 HD3 PRO 37 HD3 PRO 37 -17.561 36.935 16.232
286 HA PRO 38 HA PRO 38 -14.795 33.760 10.507
287 HB2 PRO 38 HB2 PRO 38 -12.946 32.196 12.392
288 HB3 PRO 38 HB3 PRO 38 -12.837 32.297 10.611
289 HG2 PRO 38 HG2 PRO 38 -11.298 34.037 11.959
290 HG3 PRO 38 HG3 PRO 38 -12.416 34.746 10.754
291 HD2 PRO 38 HD2 PRO 38 -12.846 34.503 13.770
292 HD3 PRO 38 HD3 PRO 38 -13.044 35.975 12.749
293 H LYS 39 H LYS 39 -14.692 32.235 13.962
294 HA LYS 39 HA LYS 39 -17.393 30.561 12.634
295 HB2 LYS 39 H42 LYS 39 -15.566 29.973 15.028
296 HB3 LYS 39 H43 LYS 39 -16.938 28.977 14.472
297 HG2 LYS 39 H23 LYS 39 -15.827 28.571 12.297
298 HG3 LYS 39 H22 LYS 39 -14.489 29.660 12.724
299 HD2 LYS 39 H33 LYS 39 -13.774 27.329 12.961
300 HD3 LYS 39 H32 LYS 39 -13.783 28.107 14.561
301 HE2 LYS 39 H53 LYS 39 -15.881 26.951 15.171
302 HE3 LYS 39 H52 LYS 39 -16.090 26.347 13.509
303 HZ1 LYS 39 H71 LYS 39 -14.057 25.010 13.741
304 HZ2 LYS 39 H73 LYS 39 -15.218 24.627 15.004
305 HZ3 LYS 39 H72 LYS 39 -13.821 25.628 15.371
306 HN1 NH2 40 H11 LYS 39 -19.037 33.199 14.540
307 HN2 NH2 40 H12 LYS 39 -18.171 33.080 13.055
308 H93 EVT 101 H93 XXX 40 -11.700 23.430 7.067
309 H92 EVT 101 H92 XXX 40 -11.712 24.464 8.509
310 H103 EVT 101 H103 XXX 40 -9.685 22.223 7.885
311 H102 EVT 101 H102 XXX 40 -9.369 23.972 7.832
312 H11 EVT 101 H11 XXX 40 -10.108 22.320 10.315
313 H122 EVT 101 H122 XXX 40 -10.666 26.660 11.594
314 H123 EVT 101 H123 XXX 40 -11.626 25.867 12.865
315 H133 EVT 101 H133 XXX 40 -9.592 25.361 14.165
316 H132 EVT 101 H132 XXX 40 -9.672 27.109 13.825
317 H143 EVT 101 H143 XXX 40 -8.030 26.849 11.959
318 H142 EVT 101 H142 XXX 40 -7.956 25.090 12.229
319 H153 EVT 101 H153 XXX 40 -7.142 25.483 14.579
320 H152 EVT 101 H152 XXX 40 -7.108 27.239 14.250
321 H6 EVT 101 H6 XXX 40 -11.816 20.914 7.526
322 H163 EVT 101 H163 XXX 40 -5.527 26.761 12.292
323 H162 EVT 101 H162 XXX 40 -5.450 25.062 12.822
324 H173 EVT 101 H173 XXX 40 -4.620 27.512 14.518
325 H172 EVT 101 H172 XXX 40 -3.505 26.476 13.598
326 H183 EVT 101 H183 XXX 40 -4.155 24.502 15.010
327 H182 EVT 101 H182 XXX 40 -5.240 25.541 15.979
328 H193 EVT 101 H193 XXX 40 -3.335 26.965 16.678
329 H192 EVT 101 H192 XXX 40 -2.233 26.013 15.639
330 H203 EVT 101 H203 XXX 40 -2.596 24.000 17.034
331 H202 EVT 101 H202 XXX 40 -3.830 24.837 18.004
332 H213 EVT 101 H213 XXX 40 -1.595 24.649 19.147
333 H212 EVT 101 H212 XXX 40 -2.169 26.329 19.009
334 H223 EVT 101 H223 XXX 40 -0.628 26.840 17.216
335 H222 EVT 101 H222 XXX 40 -0.235 25.115 16.956
336 H25 EVT 101 H25 XXX 40 -9.580 25.267 10.002
337 H293 EVT 101 H293 XXX 40 0.893 25.016 19.152
338 H292 EVT 101 H292 XXX 40 0.464 26.717 19.492
339 H303 EVT 101 H303 XXX 40 1.774 27.474 17.502
340 H302 EVT 101 H302 XXX 40 2.211 25.790 17.120
341 H313 EVT 101 H313 XXX 40 3.010 27.284 19.704
342 H312 EVT 101 H312 XXX 40 4.047 27.071 18.272
343 H321 EVT 101 H321 XXX 40 3.047 24.804 20.111
344 H323 EVT 101 H323 XXX 40 4.713 25.378 19.891
345 H322 EVT 101 H322 XXX 40 3.883 24.544 18.550
346 H353 EVT 101 H353 XXX 40 -13.850 19.870 6.277
347 H352 EVT 101 H352 XXX 40 -14.692 18.333 6.504
348 H363 EVT 101 H363 XXX 40 -12.501 18.444 7.742
349 H362 EVT 101 H362 XXX 40 -13.895 18.124 8.805
350 H37 EVT 101 H37 XXX 40 -13.941 20.476 9.533
Start of MODEL 3
1 H1 HIS 1 H1 HIS 1 -4.954 12.821 5.631
2 H2 HIS 1 H2 HIS 1 -3.532 13.092 4.658
3 H3 HIS 1 H3 HIS 1 -4.710 14.348 4.838
4 HA HIS 1 HA HIS 1 -4.941 13.291 2.647
5 HB2 HIS 1 HB2 HIS 1 -4.067 10.990 3.496
6 HB3 HIS 1 HB3 HIS 1 -5.673 10.734 4.212
7 HD1 HIS 1 HD1 HIS 1 -4.232 11.714 0.815
8 HD2 HIS 1 HD2 HIS 1 -7.250 9.360 2.543
9 HE1 HIS 1 HE1 HIS 1 -5.351 10.535 -1.113
10 H AIB 2 H AIB 2 -7.278 12.669 1.735
11 HB11 AIB 2 H31 AIB 2 -9.616 11.376 1.681
12 HB12 AIB 2 H32 AIB 2 -10.944 12.564 1.796
13 HB13 AIB 2 H33 AIB 2 -9.608 12.823 0.643
14 HB21 AIB 2 H21 AIB 2 -10.346 15.001 2.498
15 HB22 AIB 2 H22 AIB 2 -8.774 15.347 3.272
16 HB23 AIB 2 H23 AIB 2 -8.865 15.053 1.516
17 H GLN 3 H GLN 3 -8.945 10.896 3.957
18 HA GLN 3 HA GLN 3 -10.107 10.003 5.787
19 HB2 GLN 3 H42 GLN 3 -9.276 12.732 6.933
20 HB3 GLN 3 H43 GLN 3 -9.946 11.392 7.894
21 HG2 GLN 3 H32 GLN 3 -8.073 9.905 7.206
22 HG3 GLN 3 H33 GLN 3 -7.319 11.249 6.306
23 HE21 GLN 3 H61 GLN 3 -5.946 10.954 9.886
24 HE22 GLN 3 H62 GLN 3 -6.215 9.731 8.707
25 H GLY 4 H GLY 4 -11.865 10.624 3.854
26 HA2 GLY 4 HA2 GLY 4 -14.259 10.603 4.083
27 HA3 GLY 4 HA3 GLY 4 -14.165 11.702 5.462
28 H THR 5 H THR 5 -13.713 11.504 1.880
29 HA THR 5 HA THR 5 -12.986 14.098 1.331
30 HB THR 5 HB THR 5 -14.998 12.332 -0.172
31 HG1 THR 5 HG1 THR 5 -12.170 12.640 -0.536
32 HG21 THR 5 HG21 THR 5 -15.233 14.624 -1.060
33 HG22 THR 5 HG22 THR 5 -13.455 14.792 -1.200
34 HG23 THR 5 HG23 THR 5 -14.332 13.621 -2.225
35 H PHE 6 H PHE 6 -16.422 12.979 1.987
36 HA PHE 6 HA PHE 6 -17.487 15.471 1.065
37 HB2 PHE 6 HB2 PHE 6 -18.864 13.429 1.134
38 HB3 PHE 6 HB3 PHE 6 -18.790 13.377 2.901
39 HD1 PHE 6 HD1 PHE 6 -19.856 15.278 4.254
40 HD2 PHE 6 HD2 PHE 6 -20.382 14.974 -0.002
41 HE1 PHE 6 HE1 PHE 6 -21.890 16.677 4.402
42 HE2 PHE 6 HE2 PHE 6 -22.471 16.289 0.163
43 HZ PHE 6 HZ PHE 6 -23.253 17.109 2.366
44 H THR 7 H THR 7 -17.137 14.266 4.530
45 HA THR 7 HA THR 7 -17.898 16.800 5.563
46 HB THR 7 HB THR 7 -17.854 14.734 6.960
47 HG1 THR 7 HG1 THR 7 -17.082 15.977 8.812
48 HG21 THR 7 HG21 THR 7 -15.557 13.792 6.277
49 HG22 THR 7 HG22 THR 7 -14.776 15.174 7.093
50 HG23 THR 7 HG23 THR 7 -15.711 13.997 8.035
51 H SER 8 H SER 8 -14.699 15.463 4.464
52 HA SER 8 HA SER 8 -13.163 17.578 5.619
53 HB2 SER 8 HB2 SER 8 -12.083 15.510 4.771
54 HB3 SER 8 HB3 SER 8 -12.598 15.914 3.108
55 HG SER 8 HG SER 8 -10.825 17.552 4.676
56 H ASP 9 H ASP 9 -14.954 17.267 2.423
57 HA ASP 9 HA ASP 9 -13.684 19.504 1.233
58 HB2 ASP 9 HB2 ASP 9 -16.574 18.469 0.870
59 HB3 ASP 9 HB3 ASP 9 -15.812 19.702 -0.171
60 H LEU 10 H LEU 10 -16.605 19.226 3.405
61 HA LEU 10 HA LEU 10 -17.175 22.012 3.344
62 HB2 LEU 10 HB2 LEU 10 -17.542 19.984 5.623
63 HB3 LEU 10 HB3 LEU 10 -18.126 21.662 5.726
64 HG LEU 10 HG LEU 10 -18.979 19.724 3.499
65 HD11 LEU 10 HD11 LEU 10 -20.361 20.165 6.207
66 HD12 LEU 10 HD12 LEU 10 -21.037 19.235 4.839
67 HD13 LEU 10 HD13 LEU 10 -19.575 18.658 5.667
68 HD21 LEU 10 HD21 LEU 10 -20.979 21.276 3.361
69 HD22 LEU 10 HD22 LEU 10 -20.311 22.264 4.684
70 HD23 LEU 10 HD23 LEU 10 -19.488 22.212 3.105
71 H SER 11 H SER 11 -15.103 20.121 5.740
72 HA SER 11 HA SER 11 -14.227 22.430 7.109
73 HB2 SER 11 HB2 SER 11 -13.807 20.140 7.923
74 HB3 SER 11 HB3 SER 11 -12.670 19.850 6.571
75 HG SER 11 HG SER 11 -11.557 20.578 8.558
76 H LYS 12 H LYS 12 -12.996 21.115 3.977
77 HA LYS 12 HA LYS 12 -10.648 22.838 3.970
78 HB2 LYS 12 HB2 LYS 12 -12.199 21.576 1.613
79 HB3 LYS 12 HB3 LYS 12 -10.711 22.533 1.449
80 HG2 LYS 12 HG2 LYS 12 -9.428 20.909 2.797
81 HG3 LYS 12 HG3 LYS 12 -10.882 19.909 3.040
82 HD2 LYS 12 HD2 LYS 12 -11.045 19.499 0.580
83 HD3 LYS 12 HD3 LYS 12 -9.625 20.539 0.296
84 HE2 LYS 12 HE2 LYS 12 -8.194 19.002 1.661
85 HE3 LYS 12 HE3 LYS 12 -9.600 17.938 1.933
86 HZ1 LYS 12 HZ1 LYS 12 -8.188 17.108 0.110
87 HZ2 LYS 12 HZ2 LYS 12 -9.751 17.549 -0.500
88 HZ3 LYS 12 HZ3 LYS 12 -8.382 18.589 -0.775
89 H GLN 13 H GLN 13 -14.032 23.026 2.674
90 HA GLN 13 HA GLN 13 -13.591 25.699 1.620
91 HB2 GLN 13 HB2 GLN 13 -16.131 24.024 2.111
92 HB3 GLN 13 HB3 GLN 13 -16.154 25.656 1.413
93 HG2 GLN 13 HG2 GLN 13 -14.608 24.924 -0.428
94 HG3 GLN 13 HG3 GLN 13 -14.587 23.279 0.224
95 HE21 GLN 13 HE21 GLN 13 -18.005 22.539 -0.764
96 HE22 GLN 13 HE22 GLN 13 -16.868 22.187 0.484
97 H LYS 14 H LYS 14 -14.590 24.511 4.901
98 HA LYS 14 HA LYS 14 -15.649 27.067 5.687
99 HB2 LYS 14 HB2 LYS 14 -14.229 25.018 7.498
100 HB3 LYS 14 HB3 LYS 14 -15.075 26.491 8.003
101 HG2 LYS 14 HG2 LYS 14 -17.204 25.490 6.840
102 HG3 LYS 14 HG3 LYS 14 -16.285 23.966 6.738
103 HD2 LYS 14 HD2 LYS 14 -15.872 24.282 9.323
104 HD3 LYS 14 HD3 LYS 14 -17.115 25.547 9.215
105 HE2 LYS 14 HE2 LYS 14 -18.358 23.554 9.794
106 HE3 LYS 14 HE3 LYS 14 -18.629 23.713 8.038
107 HZ1 LYS 14 HZ1 LYS 14 -16.325 22.057 8.725
108 H ASP 15 H ASP 15 -12.418 25.384 5.951
109 HA ASP 15 HA ASP 15 -10.984 27.348 7.150
110 HB2 ASP 15 H32 ASP 15 -10.086 25.124 6.298
111 HB3 ASP 15 H33 ASP 15 -9.877 25.864 4.699
112 H GLU 16 H GLU 16 -11.917 27.203 3.630
113 HA GLU 16 HA GLU 16 -10.466 29.576 2.918
114 HB2 GLU 16 HB2 GLU 16 -12.932 28.360 1.545
115 HB3 GLU 16 HB3 GLU 16 -11.919 29.680 0.900
116 HG2 GLU 16 HG2 GLU 16 -9.950 28.176 0.860
117 HG3 GLU 16 HG3 GLU 16 -10.908 26.839 1.528
118 H GLN 17 H GLN 17 -14.053 29.150 3.742
119 HA GLN 17 HA GLN 17 -14.524 31.981 3.477
120 HB2 GLN 17 H42 GLN 17 -16.420 30.423 3.453
121 HB3 GLN 17 H43 GLN 17 -16.063 29.869 5.105
122 HG2 GLN 17 H32 GLN 17 -16.612 32.119 6.026
123 HG3 GLN 17 H33 GLN 17 -16.767 32.781 4.387
124 HE21 GLN 17 H61 GLN 17 -19.724 30.235 5.844
125 HE22 GLN 17 H62 GLN 17 -18.140 30.076 6.491
126 H ARG 18 H ARG 18 -14.002 29.967 6.449
127 HA ARG 18 HA ARG 18 -13.806 31.894 8.401
128 HB2 ARG 18 H42 ARG 18 -11.956 29.512 7.817
129 HB3 ARG 18 H43 ARG 18 -11.782 30.445 9.303
130 HG2 ARG 18 H33 ARG 18 -14.095 29.900 10.011
131 HG3 ARG 18 H32 ARG 18 -14.353 28.953 8.524
132 HD2 ARG 18 H52 ARG 18 -12.454 27.440 9.183
133 HD3 ARG 18 H53 ARG 18 -12.280 28.388 10.708
134 HE ARG 18 H10 ARG 18 -15.001 27.469 10.398
135 HH11 ARG 18 H71 ARG 18 -15.715 25.727 11.628
136 HH12 ARG 18 H72 ARG 18 -14.594 24.597 12.295
137 HH21 ARG 18 H81 ARG 18 -11.743 26.172 11.025
138 HH22 ARG 18 H82 ARG 18 -12.356 24.842 11.985
139 H ALA 19 H ALA 19 -11.360 31.344 5.771
140 HA ALA 19 HA ALA 19 -9.421 33.094 7.099
141 HB1 ALA 19 H21 ALA 19 -8.592 31.137 5.845
142 HB2 ALA 19 H22 ALA 19 -9.307 31.754 4.335
143 HB3 ALA 19 H23 ALA 19 -7.989 32.653 5.134
144 H LYS 20 H LYS 20 -11.331 33.152 3.914
145 HA LYS 20 HA LYS 20 -10.380 35.739 3.236
146 HB2 LYS 20 H42 LYS 20 -11.542 34.314 1.571
147 HB3 LYS 20 H43 LYS 20 -13.063 34.448 2.496
148 HG2 LYS 20 H23 LYS 20 -13.174 36.902 2.035
149 HG3 LYS 20 H22 LYS 20 -11.531 36.887 1.388
150 HD2 LYS 20 H33 LYS 20 -13.142 37.053 -0.466
151 HD3 LYS 20 H32 LYS 20 -12.196 35.552 -0.543
152 HE2 LYS 20 H53 LYS 20 -14.481 35.028 -1.172
153 HE3 LYS 20 H52 LYS 20 -14.185 34.287 0.405
154 HZ1 LYS 20 H71 LYS 20 -15.366 36.239 1.430
155 HZ2 LYS 20 H72 LYS 20 -15.670 36.860 -0.187
156 HZ3 LYS 20 H73 LYS 20 -16.368 35.328 0.315
157 H LEU 21 H LEU 21 -13.172 34.609 5.300
158 HA LEU 21 HA LEU 21 -14.075 37.249 5.923
159 HB2 LEU 21 HB2 LEU 21 -13.961 34.814 7.801
160 HB3 LEU 21 HB3 LEU 21 -14.675 36.393 8.206
161 HG LEU 21 HG LEU 21 -15.706 34.510 6.026
162 HD11 LEU 21 HD11 LEU 21 -17.552 34.086 7.679
163 HD12 LEU 21 HD12 LEU 21 -15.974 33.648 8.387
164 HD13 LEU 21 HD13 LEU 21 -16.763 35.179 8.859
165 HD21 LEU 21 HD21 LEU 21 -16.328 36.843 5.466
166 HD22 LEU 21 HD22 LEU 21 -17.755 36.007 6.119
167 HD23 LEU 21 HD23 LEU 21 -16.839 37.140 7.145
168 H PHE 22 H PHE 22 -11.694 35.065 7.785
169 HA PHE 22 HA PHE 22 -11.182 36.754 9.739
170 HB2 PHE 22 HB2 PHE 22 -9.946 34.624 9.575
171 HB3 PHE 22 HB3 PHE 22 -8.960 35.237 8.247
172 HD1 PHE 22 HD1 PHE 22 -6.955 36.525 8.764
173 HD2 PHE 22 HD2 PHE 22 -9.941 36.034 11.821
174 HE1 PHE 22 HE1 PHE 22 -5.338 37.272 10.479
175 HE2 PHE 22 HE2 PHE 22 -8.312 36.750 13.533
176 HZ PHE 22 HZ PHE 22 -5.974 37.269 12.878
177 H ILE 23 H ILE 23 -9.269 37.023 6.649
178 HA ILE 23 HA ILE 23 -8.031 39.385 7.749
179 HB ILE 23 HB ILE 23 -6.959 37.730 6.098
180 HG12 ILE 23 HG12 ILE 23 -5.586 39.410 4.898
181 HG13 ILE 23 HG13 ILE 23 -6.714 40.703 5.377
182 HG21 ILE 23 HG21 ILE 23 -8.485 39.399 4.004
183 HG22 ILE 23 HG22 ILE 23 -7.312 38.096 3.677
184 HG23 ILE 23 HG23 ILE 23 -8.880 37.712 4.419
185 HD11 ILE 23 HD11 ILE 23 -4.559 40.494 6.799
186 HD12 ILE 23 HD12 ILE 23 -6.040 40.453 7.759
187 HD13 ILE 23 HD13 ILE 23 -5.185 38.930 7.393
188 H GLU 24 H GLU 24 -10.808 38.944 5.425
189 HA GLU 24 HA GLU 24 -10.827 41.811 4.856
190 HB2 GLU 24 HB2 GLU 24 -13.030 39.716 4.421
191 HB3 GLU 24 HB3 GLU 24 -13.126 41.444 3.978
192 HG2 GLU 24 HG2 GLU 24 -11.114 41.171 2.489
193 HG3 GLU 24 HG3 GLU 24 -11.018 39.452 2.942
194 H TRP 25 H TRP 25 -12.982 39.617 6.820
195 HA TRP 25 HA TRP 25 -14.317 41.300 8.467
196 HB2 TRP 25 HB2 TRP 25 -14.219 38.822 8.744
197 HB3 TRP 25 HB3 TRP 25 -12.552 38.925 9.364
198 HD1 TRP 25 HD1 TRP 25 -15.869 40.497 10.331
199 HE1 TRP 25 HE1 TRP 25 -16.151 40.256 12.868
200 HE3 TRP 25 HE3 TRP 25 -11.268 38.513 11.457
201 HZ2 TRP 25 HZ2 TRP 25 -14.697 39.313 15.029
202 HZ3 TRP 25 HZ3 TRP 25 -10.701 38.139 13.853
203 HH2 TRP 25 HH2 TRP 25 -12.455 38.362 15.603
204 H LEU 26 H LEU 26 -10.677 40.615 8.869
205 HA LEU 26 HA LEU 26 -10.545 42.320 11.177
206 HB2 LEU 26 HB2 LEU 26 -8.292 41.562 9.266
207 HB3 LEU 26 HB3 LEU 26 -8.138 42.663 10.657
208 HG LEU 26 HG LEU 26 -8.805 39.649 10.800
209 HD11 LEU 26 HD11 LEU 26 -6.445 40.142 10.288
210 HD12 LEU 26 HD12 LEU 26 -6.352 41.287 11.662
211 HD13 LEU 26 HD13 LEU 26 -6.588 39.559 11.960
212 HD21 LEU 26 HD21 LEU 26 -10.066 40.666 12.641
213 HD22 LEU 26 HD22 LEU 26 -8.609 39.890 13.268
214 HD23 LEU 26 HD23 LEU 26 -8.645 41.673 13.069
215 H AIB 27 H ALA 27 -9.761 42.817 7.637
216 HB11 AIB 27 H21 ALA 27 -8.839 45.986 9.048
217 HB12 AIB 27 H22 ALA 27 -7.821 45.089 7.898
218 HB13 AIB 27 H23 ALA 27 -8.556 46.644 7.416
219 HB21 AIB 27 H31 ALA 27 -8.872 44.155 5.715
220 HB22 AIB 27 H32 ALA 27 -10.646 44.174 5.529
221 HB23 AIB 27 H33 ALA 27 -9.728 45.693 5.402
222 H ALA 28 H ALA 28 -12.461 44.118 7.554
223 HA ALA 28 HA ALA 28 -13.806 46.615 7.184
224 HB1 ALA 28 H21 ALA 28 -14.712 43.990 8.556
225 HB2 ALA 28 H22 ALA 28 -15.785 45.384 8.290
226 HB3 ALA 28 H23 ALA 28 -15.073 44.516 6.901
227 H GLY 29 H GLY 29 -13.005 44.694 10.115
228 HA2 GLY 29 HA2 GLY 29 -11.979 46.301 11.885
229 HA3 GLY 29 HA3 GLY 29 -13.571 47.075 11.854
230 H GLY 30 H GLY 30 -12.096 43.775 11.940
231 HA2 GLY 30 HA2 GLY 30 -13.243 41.835 12.735
232 HA3 GLY 30 HA3 GLY 30 -12.223 42.522 13.981
233 HA PRO 31 HA PRO 31 -16.346 41.678 15.877
234 HB2 PRO 31 HB2 PRO 31 -15.110 42.891 18.361
235 HB3 PRO 31 HB3 PRO 31 -16.007 41.371 18.163
236 HG2 PRO 31 HG2 PRO 31 -13.228 41.369 18.374
237 HG3 PRO 31 HG3 PRO 31 -14.107 40.194 17.352
238 HD2 PRO 31 HD2 PRO 31 -12.563 42.664 16.430
239 HD3 PRO 31 HD3 PRO 31 -12.725 41.057 15.672
240 HA PRO 32 HA PRO 32 -16.876 46.411 17.165
241 HB2 PRO 32 HB2 PRO 32 -14.903 47.263 14.964
242 HB3 PRO 32 HB3 PRO 32 -15.444 48.263 16.344
243 HG2 PRO 32 HG2 PRO 32 -13.093 46.962 16.631
244 HG3 PRO 32 HG3 PRO 32 -14.311 46.702 17.916
245 HD2 PRO 32 HD3 PRO 32 -13.673 44.878 15.555
246 HD3 PRO 32 HD2 PRO 32 -13.832 44.470 17.301
247 H SER 33 H SER 33 -16.501 45.149 13.719
248 HA SER 33 HA SER 33 -18.584 47.025 12.823
249 HB2 SER 33 HB2 SER 33 -17.490 44.620 11.293
250 HB3 SER 33 HB3 SER 33 -18.477 45.954 10.658
251 HG SER 33 HG SER 33 -15.832 46.299 11.650
252 H AIB 34 H AIB 34 -18.977 44.369 14.869
253 HB11 AIB 34 H31 AIB 34 -22.360 44.853 13.438
254 HB12 AIB 34 H32 AIB 34 -23.002 43.723 14.646
255 HB13 AIB 34 H33 AIB 34 -22.026 45.124 15.166
256 HB21 AIB 34 H21 AIB 34 -19.773 42.073 15.597
257 HB22 AIB 34 H22 AIB 34 -20.665 43.333 16.487
258 HB23 AIB 34 H23 AIB 34 -21.550 41.983 15.720
259 H LYS 35 H LYS 35 -18.825 42.196 13.284
260 HA LYS 35 HA LYS 35 -20.558 40.610 11.407
261 HB2 LYS 35 H42 LYS 35 -17.700 41.699 11.178
262 HB3 LYS 35 H43 LYS 35 -18.293 40.336 10.189
263 HG2 LYS 35 H23 LYS 35 -20.019 41.793 9.169
264 HG3 LYS 35 H22 LYS 35 -19.495 43.158 10.210
265 HD2 LYS 35 H33 LYS 35 -17.267 43.204 9.113
266 HD3 LYS 35 H32 LYS 35 -17.610 41.687 8.252
267 HE2 LYS 35 H53 LYS 35 -17.771 43.534 6.686
268 HE3 LYS 35 H52 LYS 35 -19.388 42.815 6.898
269 HZ1 LYS 35 H71 LYS 35 -20.016 44.647 8.378
270 HZ2 LYS 35 H72 LYS 35 -18.395 45.323 8.271
271 HZ3 LYS 35 H73 LYS 35 -19.424 45.273 6.852
272 HA PRO 36 HA PRO 36 -19.173 37.649 14.338
273 HB2 PRO 36 HB2 PRO 36 -19.330 35.175 13.000
274 HB3 PRO 36 HB3 PRO 36 -20.782 36.179 13.244
275 HG2 PRO 36 HG2 PRO 36 -18.967 36.240 10.787
276 HG3 PRO 36 HG3 PRO 36 -20.721 35.892 10.811
277 HD2 PRO 36 HD2 PRO 36 -19.834 38.443 10.299
278 HD3 PRO 36 HD3 PRO 36 -21.223 38.218 11.418
279 HA PRO 37 HA PRO 37 -14.802 36.834 13.449
280 HB2 PRO 37 HB2 PRO 37 -14.082 35.095 15.471
281 HB3 PRO 37 HB3 PRO 37 -14.798 36.665 15.875
282 HG2 PRO 37 HG2 PRO 37 -16.315 34.026 15.550
283 HG3 PRO 37 HG3 PRO 37 -16.238 35.020 17.032
284 HD2 PRO 37 HD2 PRO 37 -18.303 35.338 15.193
285 HD3 PRO 37 HD3 PRO 37 -17.589 36.768 16.012
286 HA PRO 38 HA PRO 38 -14.522 33.556 10.561
287 HB2 PRO 38 HB2 PRO 38 -12.618 31.984 12.393
288 HB3 PRO 38 HB3 PRO 38 -12.479 32.222 10.629
289 HG2 PRO 38 HG2 PRO 38 -10.976 33.827 12.179
290 HG3 PRO 38 HG3 PRO 38 -12.026 34.628 10.956
291 HD2 PRO 38 HD2 PRO 38 -12.658 34.208 13.918
292 HD3 PRO 38 HD3 PRO 38 -12.721 35.759 12.982
293 H LYS 39 H LYS 39 -14.338 32.058 14.209
294 HA LYS 39 HA LYS 39 -16.715 30.208 13.006
295 HB2 LYS 39 H42 LYS 39 -14.708 30.145 15.324
296 HB3 LYS 39 H43 LYS 39 -15.995 28.943 15.028
297 HG2 LYS 39 H23 LYS 39 -15.014 28.290 12.878
298 HG3 LYS 39 H22 LYS 39 -13.840 29.627 12.927
299 HD2 LYS 39 H33 LYS 39 -12.736 27.503 13.470
300 HD3 LYS 39 H32 LYS 39 -12.670 28.617 14.853
301 HE2 LYS 39 H53 LYS 39 -14.454 27.374 16.020
302 HE3 LYS 39 H52 LYS 39 -14.758 26.373 14.577
303 HZ1 LYS 39 H71 LYS 39 -12.163 26.428 16.120
304 HZ2 LYS 39 H73 LYS 39 -12.565 25.373 14.770
305 HZ3 LYS 39 H72 LYS 39 -13.428 25.216 16.294
306 HN1 NH2 40 H11 LYS 39 -18.586 32.911 14.591
307 HN2 NH2 40 H12 LYS 39 -17.716 32.706 13.125
308 H93 EVT 101 H93 XXX 40 -13.429 21.877 10.219
309 H92 EVT 101 H92 XXX 40 -13.223 22.492 11.871
310 H103 EVT 101 H103 XXX 40 -12.720 19.613 10.902
311 H102 EVT 101 H102 XXX 40 -11.536 20.798 11.507
312 H11 EVT 101 H11 XXX 40 -13.761 19.462 13.100
313 H122 EVT 101 H122 XXX 40 -12.682 22.834 15.883
314 H123 EVT 101 H123 XXX 40 -13.994 22.108 16.836
315 H133 EVT 101 H133 XXX 40 -12.381 20.465 17.827
316 H132 EVT 101 H132 XXX 40 -11.885 22.142 18.152
317 H143 EVT 101 H143 XXX 40 -10.276 22.021 16.200
318 H142 EVT 101 H142 XXX 40 -10.748 20.321 15.945
319 H153 EVT 101 H153 XXX 40 -9.874 19.718 18.226
320 H152 EVT 101 H152 XXX 40 -9.524 21.437 18.544
321 H6 EVT 101 H6 XXX 40 -15.092 19.775 10.194
322 H163 EVT 101 H163 XXX 40 -7.427 20.397 17.988
323 H162 EVT 101 H162 XXX 40 -7.882 21.447 16.626
324 H173 EVT 101 H173 XXX 40 -8.721 19.332 15.393
325 H172 EVT 101 H172 XXX 40 -8.156 18.375 16.786
326 H183 EVT 101 H183 XXX 40 -5.819 19.343 16.382
327 H182 EVT 101 H182 XXX 40 -6.448 20.156 14.923
328 H193 EVT 101 H193 XXX 40 -7.062 17.906 13.942
329 H192 EVT 101 H192 XXX 40 -6.417 17.125 15.413
330 H203 EVT 101 H203 XXX 40 -4.168 18.281 14.914
331 H202 EVT 101 H202 XXX 40 -4.847 18.810 13.357
332 H213 EVT 101 H213 XXX 40 -5.184 16.399 12.692
333 H212 EVT 101 H212 XXX 40 -4.535 15.879 14.271
334 H223 EVT 101 H223 XXX 40 -2.372 17.096 13.752
335 H222 EVT 101 H222 XXX 40 -3.000 17.455 12.120
336 H25 EVT 101 H25 XXX 40 -11.969 21.694 13.906
337 H293 EVT 101 H293 XXX 40 -3.178 14.980 11.669
338 H292 EVT 101 H292 XXX 40 -2.558 14.633 13.306
339 H303 EVT 101 H303 XXX 40 -0.462 16.012 12.700
340 H302 EVT 101 H302 XXX 40 -1.042 16.030 11.015
341 H313 EVT 101 H313 XXX 40 -0.339 13.538 12.703
342 H312 EVT 101 H312 XXX 40 0.681 14.258 11.438
343 H321 EVT 101 H321 XXX 40 -2.069 12.927 10.993
344 H323 EVT 101 H323 XXX 40 -0.477 12.297 10.502
345 H322 EVT 101 H322 XXX 40 -1.136 13.760 9.712
346 H353 EVT 101 H353 XXX 40 -16.505 19.739 8.198
347 H352 EVT 101 H352 XXX 40 -18.113 19.071 7.867
348 H363 EVT 101 H363 XXX 40 -17.146 18.158 10.034
349 H362 EVT 101 H362 XXX 40 -18.707 19.005 10.222
350 H37 EVT 101 H37 XXX 40 -17.573 21.004 11.093
Start of MODEL 4
1 H1 HIS 1 H1 HIS 1 -4.274 14.222 0.447
2 H2 HIS 1 H2 HIS 1 -3.026 13.939 -0.730
3 H3 HIS 1 H3 HIS 1 -4.300 15.055 -1.090
4 HA HIS 1 HA HIS 1 -4.701 12.962 -2.270
5 HB2 HIS 1 HB2 HIS 1 -3.470 11.517 -0.537
6 HB3 HIS 1 HB3 HIS 1 -4.896 11.677 0.524
7 HD1 HIS 1 HD1 HIS 1 -4.122 10.580 -3.042
8 HD2 HIS 1 HD2 HIS 1 -6.615 9.638 0.208
9 HE1 HIS 1 HE1 HIS 1 -5.424 8.549 -3.761
10 H AIB 2 H AIB 2 -7.057 11.901 -2.280
11 HB11 AIB 2 H31 AIB 2 -9.307 10.805 -1.249
12 HB12 AIB 2 H32 AIB 2 -10.675 11.877 -1.675
13 HB13 AIB 2 H33 AIB 2 -9.457 11.440 -2.910
14 HB21 AIB 2 H21 AIB 2 -10.159 14.405 -2.283
15 HB22 AIB 2 H22 AIB 2 -8.466 14.966 -2.180
16 HB23 AIB 2 H23 AIB 2 -8.938 13.809 -3.444
17 H GLN 3 H GLN 3 -7.972 11.647 0.707
18 HA GLN 3 HA GLN 3 -8.552 11.792 2.953
19 HB2 GLN 3 H42 GLN 3 -8.355 14.769 2.242
20 HB3 GLN 3 H43 GLN 3 -8.501 14.175 3.908
21 HG2 GLN 3 H32 GLN 3 -6.345 13.040 3.824
22 HG3 GLN 3 H33 GLN 3 -6.249 13.181 2.057
23 HE21 GLN 3 H61 GLN 3 -5.517 16.599 4.283
24 HE22 GLN 3 H62 GLN 3 -6.600 15.431 4.943
25 H GLY 4 H GLY 4 -10.679 11.058 1.309
26 HA2 GLY 4 HA2 GLY 4 -13.022 10.935 1.450
27 HA3 GLY 4 HA3 GLY 4 -12.906 11.884 2.940
28 H THR 5 H THR 5 -13.083 12.118 -0.677
29 HA THR 5 HA THR 5 -12.619 14.750 -1.082
30 HB THR 5 HB THR 5 -14.965 13.171 -2.287
31 HG1 THR 5 HG1 THR 5 -12.251 13.333 -3.165
32 HG21 THR 5 HG21 THR 5 -15.076 15.648 -2.849
33 HG22 THR 5 HG22 THR 5 -13.390 15.583 -3.438
34 HG23 THR 5 HG23 THR 5 -14.673 14.654 -4.273
35 H PHE 6 H PHE 6 -15.906 13.500 0.064
36 HA PHE 6 HA PHE 6 -17.059 16.103 -0.154
37 HB2 PHE 6 HB2 PHE 6 -18.541 14.145 -0.043
38 HB3 PHE 6 HB3 PHE 6 -17.955 13.719 1.570
39 HD1 PHE 6 HD1 PHE 6 -18.688 15.010 3.540
40 HD2 PHE 6 HD2 PHE 6 -19.967 16.182 -0.399
41 HE1 PHE 6 HE1 PHE 6 -20.435 16.457 4.528
42 HE2 PHE 6 HE2 PHE 6 -21.588 17.766 0.600
43 HZ PHE 6 HZ PHE 6 -21.770 17.962 3.072
44 H THR 7 H THR 7 -15.967 14.354 2.887
45 HA THR 7 HA THR 7 -16.460 16.629 4.495
46 HB THR 7 HB THR 7 -16.058 14.394 5.469
47 HG1 THR 7 HG1 THR 7 -14.335 16.457 6.472
48 HG21 THR 7 HG21 THR 7 -14.071 13.630 4.131
49 HG22 THR 7 HG22 THR 7 -13.055 14.891 4.878
50 HG23 THR 7 HG23 THR 7 -13.723 13.581 5.879
51 H SER 8 H SER 8 -13.558 15.712 2.507
52 HA SER 8 HA SER 8 -11.890 17.760 3.592
53 HB2 SER 8 HB2 SER 8 -10.844 16.015 2.227
54 HB3 SER 8 HB3 SER 8 -11.866 16.427 0.826
55 HG SER 8 HG SER 8 -9.958 18.237 1.980
56 H ASP 9 H ASP 9 -14.290 17.719 0.812
57 HA ASP 9 HA ASP 9 -13.606 20.320 -0.073
58 HB2 ASP 9 HB2 ASP 9 -16.343 18.929 -0.174
59 HB3 ASP 9 HB3 ASP 9 -15.922 20.411 -1.067
60 H LEU 10 H LEU 10 -15.967 19.171 2.532
61 HA LEU 10 HA LEU 10 -16.861 21.769 3.150
62 HB2 LEU 10 HB2 LEU 10 -16.263 19.564 5.216
63 HB3 LEU 10 HB3 LEU 10 -17.140 21.072 5.535
64 HG LEU 10 HG LEU 10 -18.144 18.835 3.679
65 HD11 LEU 10 HD11 LEU 10 -18.772 19.564 6.608
66 HD12 LEU 10 HD12 LEU 10 -19.761 18.450 5.635
67 HD13 LEU 10 HD13 LEU 10 -18.073 18.032 6.011
68 HD21 LEU 10 HD21 LEU 10 -20.327 20.057 3.859
69 HD22 LEU 10 HD22 LEU 10 -19.524 21.362 4.770
70 HD23 LEU 10 HD23 LEU 10 -19.111 21.070 3.059
71 H SER 11 H SER 11 -14.012 19.890 4.599
72 HA SER 11 HA SER 11 -13.236 21.989 6.260
73 HB2 SER 11 HB2 SER 11 -12.236 19.703 6.376
74 HB3 SER 11 HB3 SER 11 -11.387 19.993 4.837
75 HG SER 11 HG SER 11 -10.967 21.484 7.273
76 H LYS 12 H LYS 12 -12.559 21.568 2.731
77 HA LYS 12 HA LYS 12 -10.591 23.698 2.706
78 HB2 LYS 12 HB2 LYS 12 -12.339 22.605 0.402
79 HB3 LYS 12 HB3 LYS 12 -11.048 23.813 0.214
80 HG2 LYS 12 HG2 LYS 12 -9.357 22.203 1.044
81 HG3 LYS 12 HG3 LYS 12 -10.605 20.954 1.262
82 HD2 LYS 12 HD2 LYS 12 -11.128 20.981 -1.164
83 HD3 LYS 12 HD3 LYS 12 -9.932 22.281 -1.425
84 HE2 LYS 12 HE2 LYS 12 -8.073 20.816 -0.743
85 HE3 LYS 12 HE3 LYS 12 -9.203 19.521 -0.290
86 HZ1 LYS 12 HZ1 LYS 12 -8.852 20.631 -3.096
87 HZ2 LYS 12 HZ2 LYS 12 -8.204 19.125 -2.511
88 HZ3 LYS 12 HZ3 LYS 12 -9.925 19.334 -2.650
89 H GLN 13 H GLN 13 -14.149 23.428 1.999
90 HA GLN 13 HA GLN 13 -14.328 26.184 1.128
91 HB2 GLN 13 HB2 GLN 13 -16.451 24.136 1.952
92 HB3 GLN 13 HB3 GLN 13 -16.846 25.753 1.334
93 HG2 GLN 13 HG2 GLN 13 -15.646 25.340 -0.789
94 HG3 GLN 13 HG3 GLN 13 -15.121 23.748 -0.250
95 HE21 GLN 13 HE21 GLN 13 -18.376 22.193 -0.554
96 HE22 GLN 13 HE22 GLN 13 -17.019 22.181 0.502
97 H LYS 14 H LYS 14 -15.037 24.549 4.319
98 HA LYS 14 HA LYS 14 -15.910 26.889 5.627
99 HB2 LYS 14 HB2 LYS 14 -14.149 24.710 6.908
100 HB3 LYS 14 HB3 LYS 14 -15.050 25.995 7.734
101 HG2 LYS 14 HG2 LYS 14 -17.200 24.891 6.764
102 HG3 LYS 14 HG3 LYS 14 -16.165 23.550 6.242
103 HD2 LYS 14 HD2 LYS 14 -15.286 23.604 8.799
104 HD3 LYS 14 HD3 LYS 14 -16.794 24.522 9.050
105 HE2 LYS 14 HE2 LYS 14 -17.350 22.294 9.600
106 HE3 LYS 14 HE3 LYS 14 -17.986 22.436 7.936
107 HZ1 LYS 14 HZ1 LYS 14 -15.585 21.456 7.358
108 H ASP 15 H ASP 15 -12.568 25.422 5.207
109 HA ASP 15 HA ASP 15 -11.191 27.310 6.702
110 HB2 ASP 15 H32 ASP 15 -10.083 25.296 5.737
111 HB3 ASP 15 H33 ASP 15 -10.191 25.986 4.113
112 H GLU 16 H GLU 16 -12.037 27.457 3.162
113 HA GLU 16 HA GLU 16 -10.646 29.928 2.746
114 HB2 GLU 16 HB2 GLU 16 -12.940 28.664 1.163
115 HB3 GLU 16 HB3 GLU 16 -12.112 30.158 0.663
116 HG2 GLU 16 HG2 GLU 16 -9.923 28.979 0.568
117 HG3 GLU 16 HG3 GLU 16 -10.692 27.453 1.061
118 H GLN 17 H GLN 17 -14.129 29.280 3.717
119 HA GLN 17 HA GLN 17 -14.776 32.093 3.563
120 HB2 GLN 17 H42 GLN 17 -16.542 30.320 3.718
121 HB3 GLN 17 H43 GLN 17 -16.051 29.960 5.387
122 HG2 GLN 17 H32 GLN 17 -16.579 32.354 6.041
123 HG3 GLN 17 H33 GLN 17 -17.058 32.692 4.369
124 HE21 GLN 17 H61 GLN 17 -20.337 31.310 4.861
125 HE22 GLN 17 H62 GLN 17 -19.296 32.120 3.764
126 H ARG 18 H ARG 18 -13.682 29.921 6.256
127 HA ARG 18 HA ARG 18 -13.672 31.860 8.315
128 HB2 ARG 18 H42 ARG 18 -11.949 29.371 7.819
129 HB3 ARG 18 H43 ARG 18 -11.797 30.313 9.305
130 HG2 ARG 18 H33 ARG 18 -14.079 29.851 9.973
131 HG3 ARG 18 H32 ARG 18 -14.496 29.163 8.385
132 HD2 ARG 18 H52 ARG 18 -12.914 27.302 8.696
133 HD3 ARG 18 H53 ARG 18 -12.514 27.909 10.344
134 HE ARG 18 H10 ARG 18 -15.337 27.652 10.231
135 HH11 ARG 18 H71 ARG 18 -16.348 25.866 11.164
136 HH12 ARG 18 H72 ARG 18 -15.482 24.390 11.411
137 HH21 ARG 18 H81 ARG 18 -12.455 25.563 10.117
138 HH22 ARG 18 H82 ARG 18 -13.298 24.197 10.828
139 H ALA 19 H ALA 19 -11.288 31.355 5.647
140 HA ALA 19 HA ALA 19 -9.240 32.967 7.041
141 HB1 ALA 19 H21 ALA 19 -8.439 31.066 5.685
142 HB2 ALA 19 H22 ALA 19 -9.214 31.737 4.228
143 HB3 ALA 19 H23 ALA 19 -7.867 32.609 5.008
144 H LYS 20 H LYS 20 -11.234 33.144 3.932
145 HA LYS 20 HA LYS 20 -10.335 35.750 3.297
146 HB2 LYS 20 H42 LYS 20 -11.644 34.270 1.715
147 HB3 LYS 20 H43 LYS 20 -13.090 34.504 2.714
148 HG2 LYS 20 H23 LYS 20 -13.046 36.975 2.199
149 HG3 LYS 20 H22 LYS 20 -11.494 36.767 1.368
150 HD2 LYS 20 H33 LYS 20 -13.096 36.925 -0.406
151 HD3 LYS 20 H32 LYS 20 -12.588 35.234 -0.292
152 HE2 LYS 20 H53 LYS 20 -15.003 35.200 -0.637
153 HE3 LYS 20 H52 LYS 20 -14.777 34.812 1.070
154 HZ1 LYS 20 H71 LYS 20 -15.433 37.541 -0.090
155 HZ2 LYS 20 H72 LYS 20 -16.588 36.433 0.636
156 HZ3 LYS 20 H73 LYS 20 -15.333 37.153 1.622
157 H LEU 21 H LEU 21 -12.982 34.514 5.488
158 HA LEU 21 HA LEU 21 -13.867 37.116 6.311
159 HB2 LEU 21 HB2 LEU 21 -13.738 34.469 7.852
160 HB3 LEU 21 HB3 LEU 21 -14.180 35.999 8.628
161 HG LEU 21 HG LEU 21 -15.733 34.764 6.294
162 HD11 LEU 21 HD11 LEU 21 -17.411 34.141 8.041
163 HD12 LEU 21 HD12 LEU 21 -15.836 33.386 8.396
164 HD13 LEU 21 HD13 LEU 21 -16.355 34.834 9.308
165 HD21 LEU 21 HD21 LEU 21 -16.161 37.188 6.343
166 HD22 LEU 21 HD22 LEU 21 -17.535 36.406 7.138
167 HD23 LEU 21 HD23 LEU 21 -16.275 37.190 8.127
168 H PHE 22 H PHE 22 -11.477 34.866 8.054
169 HA PHE 22 HA PHE 22 -10.643 36.389 10.004
170 HB2 PHE 22 HB2 PHE 22 -9.509 34.274 9.347
171 HB3 PHE 22 HB3 PHE 22 -8.602 35.119 8.101
172 HD1 PHE 22 HD1 PHE 22 -7.128 37.218 8.980
173 HD2 PHE 22 HD2 PHE 22 -8.433 33.908 11.399
174 HE1 PHE 22 HE1 PHE 22 -5.383 37.728 10.640
175 HE2 PHE 22 HE2 PHE 22 -6.614 34.353 12.983
176 HZ PHE 22 HZ PHE 22 -5.125 36.309 12.659
177 H ILE 23 H ILE 23 -9.082 36.995 6.769
178 HA ILE 23 HA ILE 23 -7.967 39.397 7.951
179 HB ILE 23 HB ILE 23 -6.742 37.885 6.340
180 HG12 ILE 23 HG12 ILE 23 -5.567 39.722 5.084
181 HG13 ILE 23 HG13 ILE 23 -6.827 40.869 5.585
182 HG21 ILE 23 HG21 ILE 23 -8.363 39.341 4.157
183 HG22 ILE 23 HG22 ILE 23 -7.065 38.142 3.912
184 HG23 ILE 23 HG23 ILE 23 -8.618 37.640 4.605
185 HD11 ILE 23 HD11 ILE 23 -5.074 39.276 7.567
186 HD12 ILE 23 HD12 ILE 23 -4.662 40.905 6.967
187 HD13 ILE 23 HD13 ILE 23 -6.102 40.683 7.967
188 H GLU 24 H GLU 24 -10.623 38.849 5.446
189 HA GLU 24 HA GLU 24 -10.753 41.675 4.879
190 HB2 GLU 24 HB2 GLU 24 -12.909 39.522 4.591
191 HB3 GLU 24 HB3 GLU 24 -13.144 41.221 4.137
192 HG2 GLU 24 HG2 GLU 24 -11.277 41.110 2.505
193 HG3 GLU 24 HG3 GLU 24 -10.955 39.414 2.947
194 H TRP 25 H TRP 25 -12.633 39.438 7.037
195 HA TRP 25 HA TRP 25 -14.182 41.234 8.457
196 HB2 TRP 25 HB2 TRP 25 -14.154 38.754 8.836
197 HB3 TRP 25 HB3 TRP 25 -12.520 38.855 9.535
198 HD1 TRP 25 HD1 TRP 25 -15.965 40.405 10.301
199 HE1 TRP 25 HE1 TRP 25 -16.301 40.347 12.829
200 HE3 TRP 25 HE3 TRP 25 -11.362 38.564 11.705
201 HZ2 TRP 25 HZ2 TRP 25 -14.904 39.697 15.086
202 HZ3 TRP 25 HZ3 TRP 25 -10.869 38.427 14.156
203 HH2 TRP 25 HH2 TRP 25 -12.627 38.925 15.822
204 H LEU 26 H LEU 26 -10.609 40.555 9.100
205 HA LEU 26 HA LEU 26 -10.625 42.354 11.335
206 HB2 LEU 26 HB2 LEU 26 -8.260 41.514 9.608
207 HB3 LEU 26 HB3 LEU 26 -8.118 42.573 11.028
208 HG LEU 26 HG LEU 26 -9.120 39.674 11.149
209 HD11 LEU 26 HD11 LEU 26 -6.687 39.892 10.601
210 HD12 LEU 26 HD12 LEU 26 -6.484 40.909 12.065
211 HD13 LEU 26 HD13 LEU 26 -6.966 39.192 12.221
212 HD21 LEU 26 HD21 LEU 26 -10.195 40.871 12.983
213 HD22 LEU 26 HD22 LEU 26 -8.858 39.896 13.605
214 HD23 LEU 26 HD23 LEU 26 -8.638 41.658 13.391
215 H AIB 27 H ALA 27 -9.586 42.718 7.850
216 HB11 AIB 27 H21 ALA 27 -8.712 45.972 9.177
217 HB12 AIB 27 H22 ALA 27 -7.625 45.036 8.126
218 HB13 AIB 27 H23 ALA 27 -8.370 46.553 7.532
219 HB21 AIB 27 H31 ALA 27 -8.571 43.938 5.948
220 HB22 AIB 27 H32 ALA 27 -10.329 43.983 5.673
221 HB23 AIB 27 H33 ALA 27 -9.366 45.472 5.521
222 H ALA 28 H ALA 28 -12.178 43.927 7.791
223 HA ALA 28 HA ALA 28 -13.564 46.376 7.121
224 HB1 ALA 28 H21 ALA 28 -15.614 45.027 7.748
225 HB2 ALA 28 H22 ALA 28 -14.534 44.074 6.700
226 HB3 ALA 28 H23 ALA 28 -14.565 43.774 8.450
227 H GLY 29 H GLY 29 -12.020 45.382 10.105
228 HA2 GLY 29 HA2 GLY 29 -12.188 46.533 12.178
229 HA3 GLY 29 HA3 GLY 29 -13.730 47.236 11.676
230 H GLY 30 H GLY 30 -12.209 43.936 11.895
231 HA2 GLY 30 HA2 GLY 30 -13.831 42.102 12.197
232 HA3 GLY 30 HA3 GLY 30 -12.671 42.258 13.458
233 HA PRO 31 HA PRO 31 -16.334 42.394 16.030
234 HB2 PRO 31 HB2 PRO 31 -15.210 43.790 18.334
235 HB3 PRO 31 HB3 PRO 31 -15.385 42.045 18.064
236 HG2 PRO 31 HG2 PRO 31 -12.889 43.654 17.828
237 HG3 PRO 31 HG3 PRO 31 -13.059 41.907 18.005
238 HD2 PRO 31 HD2 PRO 31 -12.424 43.278 15.558
239 HD3 PRO 31 HD3 PRO 31 -12.937 41.564 15.711
240 HA PRO 32 HA PRO 32 -16.760 47.317 16.566
241 HB2 PRO 32 HB2 PRO 32 -15.177 47.611 13.933
242 HB3 PRO 32 HB3 PRO 32 -15.548 48.911 15.101
243 HG2 PRO 32 HG2 PRO 32 -13.140 47.691 15.274
244 HG3 PRO 32 HG3 PRO 32 -14.112 47.818 16.784
245 HD2 PRO 32 HD3 PRO 32 -13.739 45.367 14.982
246 HD3 PRO 32 HD2 PRO 32 -13.769 45.484 16.778
247 H SER 33 H SER 33 -16.702 45.487 13.349
248 HA SER 33 HA SER 33 -19.017 46.953 12.420
249 HB2 SER 33 HB2 SER 33 -18.050 44.249 11.399
250 HB3 SER 33 HB3 SER 33 -19.028 45.462 10.523
251 HG SER 33 HG SER 33 -16.737 45.651 9.966
252 H AIB 34 H AIB 34 -18.802 44.463 14.846
253 HB11 AIB 34 H31 AIB 34 -22.484 44.736 14.160
254 HB12 AIB 34 H32 AIB 34 -22.795 43.738 15.589
255 HB13 AIB 34 H33 AIB 34 -21.840 45.241 15.742
256 HB21 AIB 34 H21 AIB 34 -19.351 42.382 16.134
257 HB22 AIB 34 H22 AIB 34 -20.124 43.743 16.984
258 HB23 AIB 34 H23 AIB 34 -21.063 42.271 16.612
259 H LYS 35 H LYS 35 -18.877 42.099 13.764
260 HA LYS 35 HA LYS 35 -20.860 40.163 12.648
261 HB2 LYS 35 H42 LYS 35 -18.406 41.417 11.302
262 HB3 LYS 35 H43 LYS 35 -19.270 39.994 10.665
263 HG2 LYS 35 H23 LYS 35 -21.371 41.265 10.448
264 HG3 LYS 35 H22 LYS 35 -20.621 42.709 11.193
265 HD2 LYS 35 H33 LYS 35 -19.146 43.071 9.298
266 HD3 LYS 35 H32 LYS 35 -19.532 41.471 8.606
267 HE2 LYS 35 H53 LYS 35 -20.655 43.227 7.338
268 HE3 LYS 35 H52 LYS 35 -21.859 42.185 8.134
269 HZ1 LYS 35 H71 LYS 35 -20.968 44.886 9.159
270 HZ2 LYS 35 H72 LYS 35 -22.440 44.566 8.261
271 HZ3 LYS 35 H73 LYS 35 -22.224 43.866 9.850
272 HA PRO 36 HA PRO 36 -18.491 37.748 15.325
273 HB2 PRO 36 HB2 PRO 36 -18.798 35.122 14.347
274 HB3 PRO 36 HB3 PRO 36 -20.168 36.109 14.931
275 HG2 PRO 36 HG2 PRO 36 -19.150 35.881 12.057
276 HG3 PRO 36 HG3 PRO 36 -20.784 35.469 12.636
277 HD2 PRO 36 HD2 PRO 36 -20.313 37.952 11.580
278 HD3 PRO 36 HD3 PRO 36 -21.265 37.834 13.107
279 HA PRO 37 HA PRO 37 -14.342 36.851 13.781
280 HB2 PRO 37 HB2 PRO 37 -13.387 35.017 15.686
281 HB3 PRO 37 HB3 PRO 37 -13.844 36.667 16.123
282 HG2 PRO 37 HG2 PRO 37 -15.646 34.207 16.229
283 HG3 PRO 37 HG3 PRO 37 -15.182 35.246 17.607
284 HD2 PRO 37 HD2 PRO 37 -17.506 35.685 16.304
285 HD3 PRO 37 HD3 PRO 37 -16.495 37.108 16.705
286 HA PRO 38 HA PRO 38 -14.456 33.615 10.890
287 HB2 PRO 38 HB2 PRO 38 -12.375 31.990 12.445
288 HB3 PRO 38 HB3 PRO 38 -12.498 32.194 10.669
289 HG2 PRO 38 HG2 PRO 38 -10.797 33.839 11.958
290 HG3 PRO 38 HG3 PRO 38 -12.024 34.612 10.890
291 HD2 PRO 38 HD2 PRO 38 -12.117 34.222 13.927
292 HD3 PRO 38 HD3 PRO 38 -12.380 35.757 12.999
293 H LYS 39 H LYS 39 -14.758 32.144 13.968
294 HA LYS 39 HA LYS 39 -16.686 30.385 13.343
295 HB2 LYS 39 H42 LYS 39 -14.460 29.664 15.322
296 HB3 LYS 39 H43 LYS 39 -15.928 28.716 14.983
297 HG2 LYS 39 H23 LYS 39 -15.216 28.492 12.571
298 HG3 LYS 39 H22 LYS 39 -13.749 29.430 12.922
299 HD2 LYS 39 H33 LYS 39 -13.191 27.064 12.827
300 HD3 LYS 39 H32 LYS 39 -12.957 27.631 14.493
301 HE2 LYS 39 H53 LYS 39 -15.048 26.550 15.226
302 HE3 LYS 39 H52 LYS 39 -15.498 26.174 13.553
303 HZ1 LYS 39 H71 LYS 39 -13.092 25.087 15.015
304 HZ2 LYS 39 H73 LYS 39 -13.572 24.679 13.374
305 HZ3 LYS 39 H72 LYS 39 -14.606 24.231 14.727
306 HN1 NH2 40 H11 LYS 39 -17.848 33.027 15.584
307 HN2 NH2 40 H12 LYS 39 -17.240 32.945 13.981
308 H93 EVT 101 H93 XXX 40 -10.697 20.052 9.527
309 H92 EVT 101 H92 XXX 40 -10.096 20.146 11.189
310 H103 EVT 101 H103 XXX 40 -10.309 17.575 9.478
311 H102 EVT 101 H102 XXX 40 -8.812 18.489 9.791
312 H11 EVT 101 H11 XXX 40 -10.558 17.087 11.905
313 H122 EVT 101 H122 XXX 40 -7.479 19.244 14.438
314 H123 EVT 101 H123 XXX 40 -8.834 18.835 15.507
315 H133 EVT 101 H133 XXX 40 -7.615 16.628 16.084
316 H132 EVT 101 H132 XXX 40 -6.832 18.126 16.622
317 H143 EVT 101 H143 XXX 40 -5.269 18.067 14.674
318 H142 EVT 101 H142 XXX 40 -6.054 16.590 14.059
319 H153 EVT 101 H153 XXX 40 -5.320 15.292 15.999
320 H152 EVT 101 H152 XXX 40 -4.814 16.763 16.869
321 H6 EVT 101 H6 XXX 40 -12.620 18.476 9.114
322 H163 EVT 101 H163 XXX 40 -2.809 15.665 16.130
323 H162 EVT 101 H162 XXX 40 -2.993 17.185 15.241
324 H173 EVT 101 H173 XXX 40 -3.827 15.897 13.217
325 H172 EVT 101 H172 XXX 40 -3.712 14.375 14.147
326 H183 EVT 101 H183 XXX 40 -1.242 14.836 14.473
327 H182 EVT 101 H182 XXX 40 -1.400 16.285 13.438
328 H193 EVT 101 H193 XXX 40 -2.134 14.775 11.518
329 H192 EVT 101 H192 XXX 40 -1.880 13.363 12.576
330 H203 EVT 101 H203 XXX 40 0.540 14.034 12.879
331 H202 EVT 101 H202 XXX 40 0.287 15.435 11.804
332 H213 EVT 101 H213 XXX 40 -0.262 13.856 9.915
333 H212 EVT 101 H212 XXX 40 0.046 12.470 10.997
334 H223 EVT 101 H223 XXX 40 2.417 13.315 11.371
335 H222 EVT 101 H222 XXX 40 2.088 14.650 10.238
336 H25 EVT 101 H25 XXX 40 -8.340 18.916 12.258
337 H293 EVT 101 H293 XXX 40 1.639 12.916 8.430
338 H292 EVT 101 H292 XXX 40 2.100 11.629 9.584
339 H303 EVT 101 H303 XXX 40 4.361 12.779 9.876
340 H302 EVT 101 H302 XXX 40 3.904 13.915 8.583
341 H313 EVT 101 H313 XXX 40 4.281 10.866 8.305
342 H312 EVT 101 H312 XXX 40 5.368 12.139 7.708
343 H321 EVT 101 H321 XXX 40 2.542 11.543 6.644
344 H323 EVT 101 H323 XXX 40 4.094 11.343 5.796
345 H322 EVT 101 H322 XXX 40 3.495 12.980 6.175
346 H353 EVT 101 H353 XXX 40 -14.480 19.345 7.815
347 H352 EVT 101 H352 XXX 40 -15.963 18.469 7.379
348 H363 EVT 101 H363 XXX 40 -14.632 17.031 8.835
349 H362 EVT 101 H362 XXX 40 -16.123 17.513 9.679
350 H37 EVT 101 H37 XXX 40 -14.732 19.309 10.865
Start of MODEL 5
1 H1 HIS 1 H1 HIS 1 -8.976 14.805 -3.168
2 H2 HIS 1 H2 HIS 1 -8.597 14.625 -4.867
3 H3 HIS 1 H3 HIS 1 -9.880 15.680 -4.371
4 HA HIS 1 HA HIS 1 -10.817 13.652 -5.267
5 HB2 HIS 1 HB2 HIS 1 -8.886 12.131 -4.764
6 HB3 HIS 1 HB3 HIS 1 -9.262 12.227 -3.024
7 HD1 HIS 1 HD1 HIS 1 -11.101 11.346 -6.248
8 HD2 HIS 1 HD2 HIS 1 -10.833 10.229 -2.206
9 HE1 HIS 1 HE1 HIS 1 -12.653 9.375 -5.985
10 H AIB 2 H AIB 2 -12.906 12.815 -4.346
11 HB11 AIB 2 H31 AIB 2 -15.883 12.870 -2.232
12 HB12 AIB 2 H32 AIB 2 -15.473 12.892 -3.967
13 HB13 AIB 2 H33 AIB 2 -14.779 11.650 -2.913
14 HB21 AIB 2 H21 AIB 2 -15.181 15.411 -2.395
15 HB22 AIB 2 H22 AIB 2 -13.479 15.813 -2.748
16 HB23 AIB 2 H23 AIB 2 -14.536 15.206 -4.047
17 H GLN 3 H GLN 3 -13.031 11.520 -1.346
18 HA GLN 3 HA GLN 3 -12.778 11.006 0.908
19 HB2 GLN 3 H42 GLN 3 -11.625 13.851 0.939
20 HB3 GLN 3 H43 GLN 3 -11.399 12.627 2.214
21 HG2 GLN 3 H32 GLN 3 -10.222 11.123 0.628
22 HG3 GLN 3 H33 GLN 3 -10.422 12.309 -0.681
23 HE21 GLN 3 H61 GLN 3 -7.884 14.539 0.578
24 HE22 GLN 3 H62 GLN 3 -9.213 14.414 -0.512
25 H GLY 4 H GLY 4 -15.505 11.871 0.248
26 HA2 GLY 4 HA2 GLY 4 -16.983 11.812 2.275
27 HA3 GLY 4 HA3 GLY 4 -16.192 13.289 2.830
28 H THR 5 H THR 5 -16.161 14.378 -0.134
29 HA THR 5 HA THR 5 -17.523 15.785 -1.326
30 HB THR 5 HB THR 5 -19.521 13.549 -0.762
31 HG1 THR 5 HG1 THR 5 -17.967 14.158 -3.073
32 HG21 THR 5 HG21 THR 5 -20.849 15.630 -1.265
33 HG22 THR 5 HG22 THR 5 -19.819 15.928 -2.693
34 HG23 THR 5 HG23 THR 5 -20.869 14.485 -2.623
35 H PHE 6 H PHE 6 -20.057 14.893 1.163
36 HA PHE 6 HA PHE 6 -20.753 17.724 1.097
37 HB2 PHE 6 HB2 PHE 6 -22.549 16.124 1.262
38 HB3 PHE 6 HB3 PHE 6 -21.891 15.392 2.724
39 HD1 PHE 6 HD1 PHE 6 -22.381 16.310 4.904
40 HD2 PHE 6 HD2 PHE 6 -23.155 18.717 1.433
41 HE1 PHE 6 HE1 PHE 6 -23.977 17.677 6.214
42 HE2 PHE 6 HE2 PHE 6 -24.743 20.093 2.742
43 HZ PHE 6 HZ PHE 6 -25.212 19.531 5.115
44 H THR 7 H THR 7 -19.660 15.521 3.830
45 HA THR 7 HA THR 7 -19.122 17.711 5.556
46 HB THR 7 HB THR 7 -19.215 15.252 6.278
47 HG1 THR 7 HG1 THR 7 -18.283 16.852 7.696
48 HG21 THR 7 HG21 THR 7 -17.680 14.301 4.497
49 HG22 THR 7 HG22 THR 7 -16.301 15.171 5.235
50 HG23 THR 7 HG23 THR 7 -17.151 13.916 6.157
51 H SER 8 H SER 8 -17.189 16.237 2.869
52 HA SER 8 HA SER 8 -14.713 17.340 3.826
53 HB2 SER 8 HB2 SER 8 -14.877 15.352 2.314
54 HB3 SER 8 HB3 SER 8 -15.428 16.411 0.985
55 HG SER 8 HG SER 8 -13.068 16.086 0.981
56 H ASP 9 H ASP 9 -17.028 18.344 1.134
57 HA ASP 9 HA ASP 9 -15.356 20.588 0.427
58 HB2 ASP 9 HB2 ASP 9 -18.353 20.097 -0.077
59 HB3 ASP 9 HB3 ASP 9 -17.442 21.494 -0.700
60 H LEU 10 H LEU 10 -18.163 20.093 2.772
61 HA LEU 10 HA LEU 10 -18.311 22.816 3.496
62 HB2 LEU 10 HB2 LEU 10 -18.598 20.302 5.219
63 HB3 LEU 10 HB3 LEU 10 -18.817 21.924 5.906
64 HG LEU 10 HG LEU 10 -20.504 20.880 3.553
65 HD11 LEU 10 HD11 LEU 10 -21.110 20.882 6.562
66 HD12 LEU 10 HD12 LEU 10 -22.294 20.515 5.268
67 HD13 LEU 10 HD13 LEU 10 -20.898 19.444 5.520
68 HD21 LEU 10 HD21 LEU 10 -22.061 22.757 4.311
69 HD22 LEU 10 HD22 LEU 10 -20.792 23.323 5.426
70 HD23 LEU 10 HD23 LEU 10 -20.534 23.370 3.662
71 H SER 11 H SER 11 -16.122 20.208 4.919
72 HA SER 11 HA SER 11 -14.841 21.891 6.712
73 HB2 SER 11 HB2 SER 11 -13.560 19.645 5.052
74 HB3 SER 11 HB3 SER 11 -12.886 20.354 6.545
75 HG SER 11 HG SER 11 -14.244 18.421 6.981
76 H LYS 12 H LYS 12 -14.209 21.565 3.178
77 HA LYS 12 HA LYS 12 -11.831 23.286 3.320
78 HB2 LYS 12 HB2 LYS 12 -13.599 22.502 0.918
79 HB3 LYS 12 HB3 LYS 12 -12.083 23.439 0.823
80 HG2 LYS 12 HG2 LYS 12 -10.785 21.590 1.753
81 HG3 LYS 12 HG3 LYS 12 -12.241 20.607 2.019
82 HD2 LYS 12 HD2 LYS 12 -12.707 20.511 -0.400
83 HD3 LYS 12 HD3 LYS 12 -11.317 21.560 -0.768
84 HE2 LYS 12 HE2 LYS 12 -11.112 18.800 0.596
85 HE3 LYS 12 HE3 LYS 12 -10.901 19.088 -1.150
86 HZ1 LYS 12 HZ1 LYS 12 -9.095 20.089 1.065
87 HZ2 LYS 12 HZ2 LYS 12 -8.721 18.974 -0.188
88 HZ3 LYS 12 HZ3 LYS 12 -9.001 20.637 -0.592
89 H GLN 13 H GLN 13 -15.320 23.720 2.433
90 HA GLN 13 HA GLN 13 -14.924 26.455 1.649
91 HB2 GLN 13 HB2 GLN 13 -17.458 24.904 2.411
92 HB3 GLN 13 HB3 GLN 13 -17.468 26.585 1.832
93 HG2 GLN 13 HG2 GLN 13 -16.357 25.927 -0.296
94 HG3 GLN 13 HG3 GLN 13 -16.310 24.230 0.206
95 HE21 GLN 13 HE21 GLN 13 -19.885 23.705 -0.132
96 HE22 GLN 13 HE22 GLN 13 -18.561 23.227 0.861
97 H LYS 14 H LYS 14 -15.435 24.878 4.889
98 HA LYS 14 HA LYS 14 -16.015 27.422 6.151
99 HB2 LYS 14 HB2 LYS 14 -14.672 24.977 7.469
100 HB3 LYS 14 HB3 LYS 14 -15.224 26.472 8.258
101 HG2 LYS 14 HG2 LYS 14 -17.610 25.852 7.364
102 HG3 LYS 14 HG3 LYS 14 -16.905 24.266 6.967
103 HD2 LYS 14 HD2 LYS 14 -16.063 24.279 9.499
104 HD3 LYS 14 HD3 LYS 14 -17.223 25.607 9.701
105 HE2 LYS 14 HE2 LYS 14 -18.414 23.558 10.302
106 HE3 LYS 14 HE3 LYS 14 -19.028 24.002 8.684
107 HZ1 LYS 14 HZ1 LYS 14 -16.749 22.259 8.474
108 H ASP 15 H ASP 15 -13.013 25.306 5.807
109 HA ASP 15 HA ASP 15 -11.259 27.000 7.040
110 HB2 ASP 15 H32 ASP 15 -10.619 24.749 5.969
111 HB3 ASP 15 H33 ASP 15 -10.658 25.547 4.389
112 H GLU 16 H GLU 16 -12.429 27.221 3.637
113 HA GLU 16 HA GLU 16 -10.634 29.424 2.972
114 HB2 GLU 16 HB2 GLU 16 -13.071 28.255 1.547
115 HB3 GLU 16 HB3 GLU 16 -12.032 29.526 0.858
116 HG2 GLU 16 HG2 GLU 16 -10.074 28.049 0.829
117 HG3 GLU 16 HG3 GLU 16 -10.912 26.799 1.767
118 H GLN 17 H GLN 17 -14.222 29.194 3.780
119 HA GLN 17 HA GLN 17 -14.601 32.008 3.473
120 HB2 GLN 17 H42 GLN 17 -16.528 30.479 3.587
121 HB3 GLN 17 H43 GLN 17 -16.154 30.031 5.266
122 HG2 GLN 17 H32 GLN 17 -16.521 32.395 5.983
123 HG3 GLN 17 H33 GLN 17 -16.868 32.875 4.311
124 HE21 GLN 17 H61 GLN 17 -19.931 31.429 6.488
125 HE22 GLN 17 H62 GLN 17 -18.437 31.848 7.229
126 H ARG 18 H ARG 18 -14.026 30.015 6.449
127 HA ARG 18 HA ARG 18 -13.755 31.929 8.385
128 HB2 ARG 18 H42 ARG 18 -12.007 29.468 7.789
129 HB3 ARG 18 H43 ARG 18 -11.761 30.408 9.258
130 HG2 ARG 18 H33 ARG 18 -14.076 29.965 10.039
131 HG3 ARG 18 H32 ARG 18 -14.433 29.030 8.566
132 HD2 ARG 18 H52 ARG 18 -12.585 27.447 9.120
133 HD3 ARG 18 H53 ARG 18 -12.289 28.371 10.641
134 HE ARG 18 H10 ARG 18 -15.041 27.569 10.533
135 HH11 ARG 18 H71 ARG 18 -15.714 25.802 11.767
136 HH12 ARG 18 H72 ARG 18 -14.577 24.623 12.312
137 HH21 ARG 18 H81 ARG 18 -11.779 26.161 10.903
138 HH22 ARG 18 H82 ARG 18 -12.367 24.823 11.867
139 H ALA 19 H ALA 19 -11.320 31.292 5.767
140 HA ALA 19 HA ALA 19 -9.317 32.942 7.135
141 HB1 ALA 19 H21 ALA 19 -8.580 30.922 5.892
142 HB2 ALA 19 H22 ALA 19 -9.208 31.595 4.366
143 HB3 ALA 19 H23 ALA 19 -7.862 32.407 5.212
144 H LYS 20 H LYS 20 -11.130 33.076 3.890
145 HA LYS 20 HA LYS 20 -10.064 35.628 3.279
146 HB2 LYS 20 H42 LYS 20 -11.364 34.255 1.578
147 HB3 LYS 20 H43 LYS 20 -12.852 34.604 2.492
148 HG2 LYS 20 H23 LYS 20 -12.368 37.126 2.111
149 HG3 LYS 20 H22 LYS 20 -10.956 36.650 1.162
150 HD2 LYS 20 H33 LYS 20 -12.746 37.231 -0.364
151 HD3 LYS 20 H32 LYS 20 -12.426 35.480 -0.493
152 HE2 LYS 20 H53 LYS 20 -14.848 36.036 -0.586
153 HE3 LYS 20 H52 LYS 20 -14.503 34.987 0.802
154 HZ1 LYS 20 H71 LYS 20 -16.065 36.876 1.271
155 HZ2 LYS 20 H72 LYS 20 -14.660 36.868 2.311
156 HZ3 LYS 20 H73 LYS 20 -14.751 38.000 0.970
157 H LEU 21 H LEU 21 -13.002 34.594 5.193
158 HA LEU 21 HA LEU 21 -13.861 37.214 5.833
159 HB2 LEU 21 HB2 LEU 21 -13.829 34.722 7.655
160 HB3 LEU 21 HB3 LEU 21 -14.421 36.313 8.177
161 HG LEU 21 HG LEU 21 -15.654 34.647 5.942
162 HD11 LEU 21 HD11 LEU 21 -17.486 34.285 7.658
163 HD12 LEU 21 HD12 LEU 21 -15.925 33.658 8.248
164 HD13 LEU 21 HD13 LEU 21 -16.537 35.225 8.843
165 HD21 LEU 21 HD21 LEU 21 -16.146 37.051 5.521
166 HD22 LEU 21 HD22 LEU 21 -17.591 36.279 6.195
167 HD23 LEU 21 HD23 LEU 21 -16.565 37.291 7.242
168 H PHE 22 H PHE 22 -11.547 35.024 7.767
169 HA PHE 22 HA PHE 22 -11.130 36.710 9.752
170 HB2 PHE 22 HB2 PHE 22 -9.869 34.582 9.650
171 HB3 PHE 22 HB3 PHE 22 -8.849 35.182 8.348
172 HD1 PHE 22 HD1 PHE 22 -6.893 36.557 8.886
173 HD2 PHE 22 HD2 PHE 22 -9.925 36.015 11.886
174 HE1 PHE 22 HE1 PHE 22 -5.319 37.345 10.627
175 HE2 PHE 22 HE2 PHE 22 -8.365 36.841 13.614
176 HZ PHE 22 HZ PHE 22 -6.024 37.400 13.005
177 H ILE 23 H ILE 23 -9.081 36.972 6.749
178 HA ILE 23 HA ILE 23 -7.943 39.405 7.808
179 HB ILE 23 HB ILE 23 -6.788 37.806 6.179
180 HG12 ILE 23 HG12 ILE 23 -5.582 39.566 4.861
181 HG13 ILE 23 HG13 ILE 23 -6.752 40.784 5.416
182 HG21 ILE 23 HG21 ILE 23 -8.459 39.301 4.065
183 HG22 ILE 23 HG22 ILE 23 -7.183 38.104 3.741
184 HG23 ILE 23 HG23 ILE 23 -8.700 37.594 4.520
185 HD11 ILE 23 HD11 ILE 23 -4.553 40.738 6.701
186 HD12 ILE 23 HD12 ILE 23 -5.918 40.455 7.792
187 HD13 ILE 23 HD13 ILE 23 -4.921 39.080 7.246
188 H GLU 24 H GLU 24 -10.688 38.839 5.470
189 HA GLU 24 HA GLU 24 -10.816 41.693 4.871
190 HB2 GLU 24 HB2 GLU 24 -12.870 39.462 4.404
191 HB3 GLU 24 HB3 GLU 24 -13.127 41.178 3.993
192 HG2 GLU 24 HG2 GLU 24 -11.099 41.146 2.506
193 HG3 GLU 24 HG3 GLU 24 -10.830 39.431 2.912
194 H TRP 25 H TRP 25 -12.992 39.488 6.833
195 HA TRP 25 HA TRP 25 -14.371 41.222 8.393
196 HB2 TRP 25 HB2 TRP 25 -14.386 38.775 8.737
197 HB3 TRP 25 HB3 TRP 25 -12.708 38.806 9.331
198 HD1 TRP 25 HD1 TRP 25 -16.044 40.417 10.392
199 HE1 TRP 25 HE1 TRP 25 -16.193 40.274 12.930
200 HE3 TRP 25 HE3 TRP 25 -11.338 38.552 11.417
201 HZ2 TRP 25 HZ2 TRP 25 -14.722 39.321 15.037
202 HZ3 TRP 25 HZ3 TRP 25 -10.745 38.157 13.800
203 HH2 TRP 25 HH2 TRP 25 -12.450 38.433 15.580
204 H LEU 26 H LEU 26 -10.770 40.567 8.895
205 HA LEU 26 HA LEU 26 -10.684 42.284 11.191
206 HB2 LEU 26 HB2 LEU 26 -8.409 41.578 9.277
207 HB3 LEU 26 HB3 LEU 26 -8.267 42.704 10.644
208 HG LEU 26 HG LEU 26 -8.792 39.674 10.845
209 HD11 LEU 26 HD11 LEU 26 -6.446 40.329 10.356
210 HD12 LEU 26 HD12 LEU 26 -6.469 41.467 11.738
211 HD13 LEU 26 HD13 LEU 26 -6.595 39.719 12.022
212 HD21 LEU 26 HD21 LEU 26 -10.130 40.646 12.666
213 HD22 LEU 26 HD22 LEU 26 -8.622 40.019 13.340
214 HD23 LEU 26 HD23 LEU 26 -8.806 41.778 13.061
215 H AIB 27 H ALA 27 -9.851 42.791 7.656
216 HB11 AIB 27 H21 ALA 27 -9.152 46.059 9.082
217 HB12 AIB 27 H22 ALA 27 -8.017 45.155 8.052
218 HB13 AIB 27 H23 ALA 27 -8.779 46.659 7.451
219 HB21 AIB 27 H31 ALA 27 -8.874 44.225 5.796
220 HB22 AIB 27 H32 ALA 27 -10.625 44.044 5.521
221 HB23 AIB 27 H33 ALA 27 -9.879 45.653 5.417
222 H ALA 28 H ALA 28 -12.582 43.948 7.554
223 HA ALA 28 HA ALA 28 -13.999 46.369 6.985
224 HB1 ALA 28 H21 ALA 28 -14.943 43.842 8.510
225 HB2 ALA 28 H22 ALA 28 -16.007 45.152 7.946
226 HB3 ALA 28 H23 ALA 28 -15.111 44.143 6.767
227 H GLY 29 H GLY 29 -13.244 44.598 10.029
228 HA2 GLY 29 HA2 GLY 29 -12.255 46.384 11.661
229 HA3 GLY 29 HA3 GLY 29 -13.913 47.022 11.636
230 H GLY 30 H GLY 30 -12.335 43.731 11.852
231 HA2 GLY 30 HA2 GLY 30 -13.367 41.871 12.911
232 HA3 GLY 30 HA3 GLY 30 -12.341 42.697 14.055
233 HA PRO 31 HA PRO 31 -16.492 42.117 16.057
234 HB2 PRO 31 HB2 PRO 31 -14.901 43.160 18.441
235 HB3 PRO 31 HB3 PRO 31 -16.114 41.851 18.388
236 HG2 PRO 31 HG2 PRO 31 -13.467 41.179 18.406
237 HG3 PRO 31 HG3 PRO 31 -14.583 40.368 17.272
238 HD2 PRO 31 HD2 PRO 31 -12.662 42.688 16.579
239 HD3 PRO 31 HD3 PRO 31 -12.919 41.141 15.724
240 HA PRO 32 HA PRO 32 -16.567 46.915 17.325
241 HB2 PRO 32 HB2 PRO 32 -14.801 47.491 14.859
242 HB3 PRO 32 HB3 PRO 32 -15.139 48.610 16.212
243 HG2 PRO 32 HG2 PRO 32 -12.829 47.195 16.306
244 HG3 PRO 32 HG3 PRO 32 -13.880 47.125 17.756
245 HD2 PRO 32 HD3 PRO 32 -13.628 45.048 15.538
246 HD3 PRO 32 HD2 PRO 32 -13.646 44.789 17.319
247 H SER 33 H SER 33 -16.428 45.400 13.987
248 HA SER 33 HA SER 33 -18.569 47.070 12.984
249 HB2 SER 33 HB2 SER 33 -17.752 44.296 12.002
250 HB3 SER 33 HB3 SER 33 -18.560 45.587 11.057
251 HG SER 33 HG SER 33 -16.203 45.520 10.703
252 H AIB 34 H AIB 34 -18.593 44.283 15.140
253 HB11 AIB 34 H31 AIB 34 -22.301 44.827 14.505
254 HB12 AIB 34 H32 AIB 34 -22.658 43.674 15.793
255 HB13 AIB 34 H33 AIB 34 -21.678 45.119 16.145
256 HB21 AIB 34 H21 AIB 34 -19.264 42.192 16.236
257 HB22 AIB 34 H22 AIB 34 -20.023 43.480 17.206
258 HB23 AIB 34 H23 AIB 34 -20.984 42.075 16.678
259 H LYS 35 H LYS 35 -18.773 42.107 13.838
260 HA LYS 35 HA LYS 35 -20.823 40.533 12.350
261 HB2 LYS 35 H42 LYS 35 -18.183 41.710 11.314
262 HB3 LYS 35 H43 LYS 35 -19.224 40.589 10.403
263 HG2 LYS 35 H23 LYS 35 -21.125 42.246 10.521
264 HG3 LYS 35 H22 LYS 35 -20.097 43.354 11.457
265 HD2 LYS 35 H33 LYS 35 -18.523 43.565 9.531
266 HD3 LYS 35 H32 LYS 35 -19.539 42.453 8.574
267 HE2 LYS 35 H53 LYS 35 -21.440 44.015 8.634
268 HE3 LYS 35 H52 LYS 35 -20.589 45.107 9.748
269 HZ1 LYS 35 H71 LYS 35 -19.693 44.465 6.938
270 HZ2 LYS 35 H72 LYS 35 -20.514 45.931 7.457
271 HZ3 LYS 35 H73 LYS 35 -18.900 45.567 8.057
272 HA PRO 36 HA PRO 36 -18.945 37.596 14.778
273 HB2 PRO 36 HB2 PRO 36 -19.219 35.155 13.380
274 HB3 PRO 36 HB3 PRO 36 -20.605 36.122 13.970
275 HG2 PRO 36 HG2 PRO 36 -19.324 36.286 11.194
276 HG3 PRO 36 HG3 PRO 36 -21.034 35.895 11.544
277 HD2 PRO 36 HD2 PRO 36 -20.336 38.458 10.958
278 HD3 PRO 36 HD3 PRO 36 -21.411 38.191 12.387
279 HA PRO 37 HA PRO 37 -14.649 36.732 13.654
280 HB2 PRO 37 HB2 PRO 37 -13.962 34.754 15.501
281 HB3 PRO 37 HB3 PRO 37 -14.489 36.371 16.031
282 HG2 PRO 37 HG2 PRO 37 -16.273 33.900 15.647
283 HG3 PRO 37 HG3 PRO 37 -16.013 34.786 17.184
284 HD2 PRO 37 HD2 PRO 37 -18.145 35.400 15.597
285 HD3 PRO 37 HD3 PRO 37 -17.185 36.749 16.318
286 HA PRO 38 HA PRO 38 -14.548 33.545 10.599
287 HB2 PRO 38 HB2 PRO 38 -12.625 31.934 12.385
288 HB3 PRO 38 HB3 PRO 38 -12.556 32.127 10.607
289 HG2 PRO 38 HG2 PRO 38 -10.968 33.749 12.009
290 HG3 PRO 38 HG3 PRO 38 -12.086 34.537 10.843
291 HD2 PRO 38 HD2 PRO 38 -12.491 34.181 13.848
292 HD3 PRO 38 HD3 PRO 38 -12.648 35.710 12.892
293 H LYS 39 H LYS 39 -15.005 32.382 14.035
294 HA LYS 39 HA LYS 39 -16.852 30.226 12.942
295 HB2 LYS 39 H42 LYS 39 -15.001 30.064 15.383
296 HB3 LYS 39 H43 LYS 39 -16.306 28.914 14.988
297 HG2 LYS 39 H23 LYS 39 -15.206 28.236 12.907
298 HG3 LYS 39 H22 LYS 39 -13.998 29.539 13.038
299 HD2 LYS 39 H33 LYS 39 -12.939 27.444 13.620
300 HD3 LYS 39 H32 LYS 39 -13.017 28.472 15.070
301 HE2 LYS 39 H53 LYS 39 -14.968 27.141 15.921
302 HE3 LYS 39 H52 LYS 39 -14.944 26.152 14.437
303 HZ1 LYS 39 H71 LYS 39 -12.667 25.414 15.009
304 HZ2 LYS 39 H73 LYS 39 -13.819 25.027 16.283
305 HZ3 LYS 39 H72 LYS 39 -12.716 26.382 16.474
306 HN1 NH2 40 H11 LYS 39 -18.711 32.972 14.463
307 HN2 NH2 40 H12 LYS 39 -17.853 32.684 12.997
308 H93 EVT 101 H93 XXX 40 -13.918 22.475 8.846
309 H92 EVT 101 H92 XXX 40 -13.284 22.983 10.415
310 H103 EVT 101 H103 XXX 40 -12.699 20.311 8.973
311 H102 EVT 101 H102 XXX 40 -11.571 21.649 9.290
312 H11 EVT 101 H11 XXX 40 -12.812 19.697 11.282
313 H122 EVT 101 H122 XXX 40 -11.857 23.276 13.939
314 H123 EVT 101 H123 XXX 40 -13.621 23.137 14.127
315 H133 EVT 101 H133 XXX 40 -13.298 21.361 15.881
316 H132 EVT 101 H132 XXX 40 -12.479 22.885 16.306
317 H143 EVT 101 H143 XXX 40 -10.301 21.936 15.453
318 H142 EVT 101 H142 XXX 40 -11.129 20.401 15.067
319 H153 EVT 101 H153 XXX 40 -11.689 20.074 17.493
320 H152 EVT 101 H152 XXX 40 -11.006 21.672 17.873
321 H6 EVT 101 H6 XXX 40 -15.153 20.151 8.974
322 H163 EVT 101 H163 XXX 40 -9.382 20.042 18.546
323 H162 EVT 101 H162 XXX 40 -8.740 20.912 17.129
324 H173 EVT 101 H173 XXX 40 -9.343 18.936 15.666
325 H172 EVT 101 H172 XXX 40 -10.038 18.113 17.088
326 H183 EVT 101 H183 XXX 40 -7.775 18.186 18.204
327 H182 EVT 101 H182 XXX 40 -7.099 18.997 16.769
328 H193 EVT 101 H193 XXX 40 -7.685 16.955 15.374
329 H192 EVT 101 H192 XXX 40 -8.334 16.170 16.841
330 H203 EVT 101 H203 XXX 40 -6.066 16.379 17.937
331 H202 EVT 101 H202 XXX 40 -5.419 17.102 16.442
332 H213 EVT 101 H213 XXX 40 -5.919 14.994 15.183
333 H212 EVT 101 H212 XXX 40 -6.650 14.274 16.640
334 H223 EVT 101 H223 XXX 40 -4.498 14.417 17.856
335 H222 EVT 101 H222 XXX 40 -3.722 15.213 16.462
336 H25 EVT 101 H25 XXX 40 -11.305 22.230 11.918
337 H293 EVT 101 H293 XXX 40 -4.013 13.199 15.076
338 H292 EVT 101 H292 XXX 40 -4.901 12.364 16.385
339 H303 EVT 101 H303 XXX 40 -2.916 12.489 17.875
340 H302 EVT 101 H302 XXX 40 -1.979 13.347 16.625
341 H313 EVT 101 H313 XXX 40 -3.075 10.470 16.385
342 H312 EVT 101 H312 XXX 40 -1.411 10.914 16.841
343 H321 EVT 101 H321 XXX 40 -2.719 11.469 14.095
344 H323 EVT 101 H323 XXX 40 -1.441 10.286 14.462
345 H322 EVT 101 H322 XXX 40 -1.096 12.035 14.593
346 H353 EVT 101 H353 XXX 40 -17.189 20.142 7.527
347 H352 EVT 101 H352 XXX 40 -18.804 19.442 7.687
348 H363 EVT 101 H363 XXX 40 -16.938 18.278 9.057
349 H362 EVT 101 H362 XXX 40 -18.412 18.722 9.955
350 H37 EVT 101 H37 XXX 40 -17.281 20.688 10.910
Start of MODEL 6
1 H1 HIS 1 H1 HIS 1 -5.404 7.136 -4.169
2 H2 HIS 1 H2 HIS 1 -5.610 5.886 -5.370
3 H3 HIS 1 H3 HIS 1 -6.023 7.518 -5.753
4 HA HIS 1 HA HIS 1 -8.052 6.294 -5.340
5 HB2 HIS 1 HB2 HIS 1 -7.101 4.475 -3.933
6 HB3 HIS 1 HB3 HIS 1 -6.800 5.629 -2.612
7 HD1 HIS 1 HD1 HIS 1 -9.793 4.589 -4.746
8 HD2 HIS 1 HD2 HIS 1 -8.741 5.491 -0.779
9 HE1 HIS 1 HE1 HIS 1 -11.906 4.278 -3.387
10 H AIB 2 H AIB 2 -9.927 7.419 -4.286
11 HB11 AIB 2 H31 AIB 2 -11.797 10.224 -2.889
12 HB12 AIB 2 H32 AIB 2 -11.853 9.108 -4.280
13 HB13 AIB 2 H33 AIB 2 -11.714 8.461 -2.630
14 HB21 AIB 2 H21 AIB 2 -9.955 11.407 -4.166
15 HB22 AIB 2 H22 AIB 2 -8.406 10.603 -4.525
16 HB23 AIB 2 H23 AIB 2 -9.871 10.167 -5.441
17 H GLN 3 H GLN 3 -9.826 7.880 -1.242
18 HA GLN 3 HA GLN 3 -9.309 8.276 0.987
19 HB2 GLN 3 H42 GLN 3 -6.968 9.811 -0.252
20 HB3 GLN 3 H43 GLN 3 -7.130 9.312 1.457
21 HG2 GLN 3 H32 GLN 3 -7.260 6.912 0.761
22 HG3 GLN 3 H33 GLN 3 -7.001 7.407 -0.936
23 HE21 GLN 3 H61 GLN 3 -3.700 6.290 0.262
24 HE22 GLN 3 H62 GLN 3 -5.223 5.599 -0.157
25 H GLY 4 H GLY 4 -11.465 9.725 0.378
26 HA2 GLY 4 HA2 GLY 4 -12.646 11.540 1.256
27 HA3 GLY 4 HA3 GLY 4 -11.320 11.616 2.432
28 H THR 5 H THR 5 -10.833 12.164 -1.161
29 HA THR 5 HA THR 5 -9.672 14.735 -0.647
30 HB THR 5 HB THR 5 -10.949 13.636 -3.224
31 HG1 THR 5 HG1 THR 5 -8.198 13.724 -2.425
32 HG21 THR 5 HG21 THR 5 -9.590 15.400 -4.403
33 HG22 THR 5 HG22 THR 5 -10.826 16.139 -3.355
34 HG23 THR 5 HG23 THR 5 -9.121 16.100 -2.827
35 H PHE 6 H PHE 6 -13.068 13.697 -1.544
36 HA PHE 6 HA PHE 6 -13.946 16.367 -2.003
37 HB2 PHE 6 HB2 PHE 6 -15.341 14.584 -2.845
38 HB3 PHE 6 HB3 PHE 6 -15.518 13.849 -1.244
39 HD1 PHE 6 HD1 PHE 6 -17.099 14.725 0.381
40 HD2 PHE 6 HD2 PHE 6 -16.437 16.851 -3.296
41 HE1 PHE 6 HE1 PHE 6 -19.145 16.047 0.779
42 HE2 PHE 6 HE2 PHE 6 -18.396 18.287 -2.812
43 HZ PHE 6 HZ PHE 6 -19.765 17.879 -0.782
44 H THR 7 H THR 7 -14.411 14.287 1.011
45 HA THR 7 HA THR 7 -15.597 16.461 2.418
46 HB THR 7 HB THR 7 -15.754 14.108 3.271
47 HG1 THR 7 HG1 THR 7 -16.069 15.961 4.717
48 HG21 THR 7 HG21 THR 7 -13.360 13.408 2.957
49 HG22 THR 7 HG22 THR 7 -12.844 14.561 4.221
50 HG23 THR 7 HG23 THR 7 -13.914 13.206 4.648
51 H SER 8 H SER 8 -12.100 15.561 1.993
52 HA SER 8 HA SER 8 -11.251 17.453 3.976
53 HB2 SER 8 HB2 SER 8 -9.678 15.684 3.240
54 HB3 SER 8 HB3 SER 8 -9.723 16.274 1.559
55 HG SER 8 HG SER 8 -8.708 17.832 3.735
56 H ASP 9 H ASP 9 -12.002 17.689 0.405
57 HA ASP 9 HA ASP 9 -10.925 20.346 0.210
58 HB2 ASP 9 HB2 ASP 9 -13.133 19.008 -1.468
59 HB3 ASP 9 HB3 ASP 9 -12.380 20.590 -1.819
60 H LEU 10 H LEU 10 -14.210 19.027 1.254
61 HA LEU 10 HA LEU 10 -15.341 21.644 1.500
62 HB2 LEU 10 HB2 LEU 10 -15.820 19.172 3.253
63 HB3 LEU 10 HB3 LEU 10 -16.728 20.695 3.426
64 HG LEU 10 HG LEU 10 -16.761 18.900 0.934
65 HD11 LEU 10 HD11 LEU 10 -19.094 18.327 1.762
66 HD12 LEU 10 HD12 LEU 10 -17.825 17.759 2.875
67 HD13 LEU 10 HD13 LEU 10 -18.768 19.224 3.260
68 HD21 LEU 10 HD21 LEU 10 -18.777 20.291 0.314
69 HD22 LEU 10 HD22 LEU 10 -18.486 21.347 1.724
70 HD23 LEU 10 HD23 LEU 10 -17.324 21.303 0.368
71 H SER 11 H SER 11 -13.526 19.580 3.948
72 HA SER 11 HA SER 11 -13.595 21.442 6.012
73 HB2 SER 11 HB2 SER 11 -11.251 19.615 5.246
74 HB3 SER 11 HB3 SER 11 -11.498 20.356 6.848
75 HG SER 11 HG SER 11 -12.417 18.161 6.729
76 H LYS 12 H LYS 12 -11.385 21.378 3.137
77 HA LYS 12 HA LYS 12 -9.722 23.541 4.193
78 HB2 LYS 12 HB2 LYS 12 -10.119 22.561 1.298
79 HB3 LYS 12 HB3 LYS 12 -8.967 23.826 1.793
80 HG2 LYS 12 HG2 LYS 12 -7.720 22.252 3.191
81 HG3 LYS 12 HG3 LYS 12 -8.884 20.946 2.879
82 HD2 LYS 12 HD2 LYS 12 -8.386 21.021 0.442
83 HD3 LYS 12 HD3 LYS 12 -7.188 22.312 0.693
84 HE2 LYS 12 HE2 LYS 12 -6.993 19.531 2.015
85 HE3 LYS 12 HE3 LYS 12 -6.268 19.910 0.437
86 HZ1 LYS 12 HZ1 LYS 12 -4.609 20.105 2.210
87 HZ2 LYS 12 HZ2 LYS 12 -4.873 21.640 1.448
88 HZ3 LYS 12 HZ3 LYS 12 -5.545 21.308 3.027
89 H GLN 13 H GLN 13 -12.425 23.254 1.745
90 HA GLN 13 HA GLN 13 -12.303 25.987 1.031
91 HB2 GLN 13 HB2 GLN 13 -14.546 23.913 0.765
92 HB3 GLN 13 HB3 GLN 13 -14.713 25.570 0.150
93 HG2 GLN 13 HG2 GLN 13 -12.712 25.315 -1.298
94 HG3 GLN 13 HG3 GLN 13 -12.460 23.656 -0.742
95 HE21 GLN 13 HE21 GLN 13 -15.280 22.284 -2.536
96 HE22 GLN 13 HE22 GLN 13 -14.372 22.062 -1.090
97 H LYS 14 H LYS 14 -14.225 24.380 3.706
98 HA LYS 14 HA LYS 14 -15.734 26.759 4.288
99 HB2 LYS 14 HB2 LYS 14 -14.703 24.761 6.381
100 HB3 LYS 14 HB3 LYS 14 -15.927 26.037 6.594
101 HG2 LYS 14 HG2 LYS 14 -17.315 24.762 4.756
102 HG3 LYS 14 HG3 LYS 14 -16.138 23.441 4.959
103 HD2 LYS 14 HD2 LYS 14 -16.664 23.700 7.553
104 HD3 LYS 14 HD3 LYS 14 -18.098 24.590 6.996
105 HE2 LYS 14 HE2 LYS 14 -18.824 22.279 7.259
106 HE3 LYS 14 HE3 LYS 14 -18.639 22.520 5.500
107 HZ1 LYS 14 HZ1 LYS 14 -16.187 21.533 6.648
108 H ASP 15 H ASP 15 -12.561 25.411 5.499
109 HA ASP 15 HA ASP 15 -12.019 27.506 7.249
110 HB2 ASP 15 H32 ASP 15 -10.673 25.334 6.952
111 HB3 ASP 15 H33 ASP 15 -9.816 26.098 5.603
112 H GLU 16 H GLU 16 -11.318 27.275 3.695
113 HA GLU 16 HA GLU 16 -9.786 29.713 3.607
114 HB2 GLU 16 HB2 GLU 16 -11.333 28.278 1.378
115 HB3 GLU 16 HB3 GLU 16 -10.246 29.663 1.112
116 HG2 GLU 16 HG2 GLU 16 -8.313 28.413 2.041
117 HG3 GLU 16 HG3 GLU 16 -9.326 26.982 2.320
118 H GLN 17 H GLN 17 -13.344 28.997 3.143
119 HA GLN 17 HA GLN 17 -14.025 31.688 2.422
120 HB2 GLN 17 H42 GLN 17 -15.556 29.678 2.271
121 HB3 GLN 17 H43 GLN 17 -15.721 29.692 4.047
122 HG2 GLN 17 H32 GLN 17 -16.702 32.008 3.908
123 HG3 GLN 17 H33 GLN 17 -16.539 31.972 2.133
124 HE21 GLN 17 H61 GLN 17 -20.040 31.064 2.581
125 HE22 GLN 17 H62 GLN 17 -19.032 32.458 2.557
126 H ARG 18 H ARG 18 -13.545 30.024 5.594
127 HA ARG 18 HA ARG 18 -14.425 32.353 7.131
128 HB2 ARG 18 H42 ARG 18 -12.993 29.745 7.907
129 HB3 ARG 18 H43 ARG 18 -13.583 30.931 9.078
130 HG2 ARG 18 H33 ARG 18 -15.891 30.598 8.484
131 HG3 ARG 18 H32 ARG 18 -15.492 29.723 6.987
132 HD2 ARG 18 H52 ARG 18 -14.558 27.838 8.233
133 HD3 ARG 18 H53 ARG 18 -14.943 28.656 9.794
134 HE ARG 18 H10 ARG 18 -17.335 28.537 8.209
135 HH11 ARG 18 H71 ARG 18 -18.885 26.941 8.588
136 HH12 ARG 18 H72 ARG 18 -18.464 25.483 9.412
137 HH21 ARG 18 H81 ARG 18 -15.104 26.322 9.877
138 HH22 ARG 18 H82 ARG 18 -16.340 25.108 10.126
139 H ALA 19 H ALA 19 -11.365 31.367 5.734
140 HA ALA 19 HA ALA 19 -9.767 33.135 7.440
141 HB1 ALA 19 H21 ALA 19 -8.714 31.123 6.387
142 HB2 ALA 19 H22 ALA 19 -9.042 31.792 4.765
143 HB3 ALA 19 H23 ALA 19 -7.916 32.629 5.862
144 H LYS 20 H LYS 20 -11.231 33.058 4.068
145 HA LYS 20 HA LYS 20 -10.371 35.635 3.295
146 HB2 LYS 20 H42 LYS 20 -11.505 34.055 1.728
147 HB3 LYS 20 H43 LYS 20 -13.009 34.189 2.672
148 HG2 LYS 20 H23 LYS 20 -13.207 36.609 2.075
149 HG3 LYS 20 H22 LYS 20 -11.605 36.561 1.306
150 HD2 LYS 20 H33 LYS 20 -13.316 36.535 -0.433
151 HD3 LYS 20 H32 LYS 20 -12.471 34.970 -0.433
152 HE2 LYS 20 H53 LYS 20 -14.413 33.937 0.806
153 HE3 LYS 20 H52 LYS 20 -15.204 35.530 0.898
154 HZ1 LYS 20 H71 LYS 20 -14.525 34.044 -1.648
155 HZ2 LYS 20 H72 LYS 20 -16.114 34.139 -0.899
156 HZ3 LYS 20 H73 LYS 20 -15.359 35.590 -1.536
157 H LEU 21 H LEU 21 -13.119 34.507 5.470
158 HA LEU 21 HA LEU 21 -14.051 37.185 5.940
159 HB2 LEU 21 HB2 LEU 21 -13.984 34.893 7.979
160 HB3 LEU 21 HB3 LEU 21 -14.676 36.493 8.255
161 HG LEU 21 HG LEU 21 -15.730 34.489 6.174
162 HD11 LEU 21 HD11 LEU 21 -17.558 34.144 7.887
163 HD12 LEU 21 HD12 LEU 21 -15.961 33.683 8.537
164 HD13 LEU 21 HD13 LEU 21 -16.701 35.241 9.009
165 HD21 LEU 21 HD21 LEU 21 -16.880 37.135 7.268
166 HD22 LEU 21 HD22 LEU 21 -16.354 36.845 5.585
167 HD23 LEU 21 HD23 LEU 21 -17.770 35.984 6.238
168 H PHE 22 H PHE 22 -11.694 35.056 7.891
169 HA PHE 22 HA PHE 22 -11.116 36.754 9.798
170 HB2 PHE 22 HB2 PHE 22 -9.865 34.633 9.597
171 HB3 PHE 22 HB3 PHE 22 -8.918 35.265 8.255
172 HD1 PHE 22 HD1 PHE 22 -6.849 36.388 8.724
173 HD2 PHE 22 HD2 PHE 22 -9.830 36.190 11.827
174 HE1 PHE 22 HE1 PHE 22 -5.160 37.071 10.394
175 HE2 PHE 22 HE2 PHE 22 -8.158 36.951 13.476
176 HZ PHE 22 HZ PHE 22 -5.792 37.272 12.791
177 H ILE 23 H ILE 23 -9.225 37.037 6.685
178 HA ILE 23 HA ILE 23 -8.034 39.446 7.737
179 HB ILE 23 HB ILE 23 -6.932 37.839 6.073
180 HG12 ILE 23 HG12 ILE 23 -5.763 39.632 4.725
181 HG13 ILE 23 HG13 ILE 23 -6.889 40.834 5.387
182 HG21 ILE 23 HG21 ILE 23 -8.596 39.379 3.984
183 HG22 ILE 23 HG22 ILE 23 -7.375 38.120 3.663
184 HG23 ILE 23 HG23 ILE 23 -8.900 37.684 4.463
185 HD11 ILE 23 HD11 ILE 23 -5.964 40.405 7.707
186 HD12 ILE 23 HD12 ILE 23 -4.998 39.049 7.067
187 HD13 ILE 23 HD13 ILE 23 -4.637 40.728 6.577
188 H GLU 24 H GLU 24 -10.822 38.922 5.417
189 HA GLU 24 HA GLU 24 -10.930 41.778 4.828
190 HB2 GLU 24 HB2 GLU 24 -13.063 39.601 4.493
191 HB3 GLU 24 HB3 GLU 24 -13.297 41.313 4.053
192 HG2 GLU 24 HG2 GLU 24 -11.391 41.178 2.426
193 HG3 GLU 24 HG3 GLU 24 -11.096 39.489 2.910
194 H TRP 25 H TRP 25 -13.004 39.573 6.870
195 HA TRP 25 HA TRP 25 -14.368 41.301 8.452
196 HB2 TRP 25 HB2 TRP 25 -14.309 38.831 8.798
197 HB3 TRP 25 HB3 TRP 25 -12.629 38.906 9.366
198 HD1 TRP 25 HD1 TRP 25 -15.957 40.543 10.401
199 HE1 TRP 25 HE1 TRP 25 -16.135 40.399 12.930
200 HE3 TRP 25 HE3 TRP 25 -11.313 38.579 11.470
201 HZ2 TRP 25 HZ2 TRP 25 -14.707 39.440 15.063
202 HZ3 TRP 25 HZ3 TRP 25 -10.729 38.234 13.866
203 HH2 TRP 25 HH2 TRP 25 -12.446 38.537 15.636
204 H LEU 26 H LEU 26 -10.760 40.623 8.905
205 HA LEU 26 HA LEU 26 -10.664 42.329 11.188
206 HB2 LEU 26 HB2 LEU 26 -8.375 41.595 9.288
207 HB3 LEU 26 HB3 LEU 26 -8.217 42.694 10.679
208 HG LEU 26 HG LEU 26 -8.925 39.701 10.867
209 HD11 LEU 26 HD11 LEU 26 -6.553 40.148 10.280
210 HD12 LEU 26 HD12 LEU 26 -6.404 41.297 11.644
211 HD13 LEU 26 HD13 LEU 26 -6.684 39.576 11.965
212 HD21 LEU 26 HD21 LEU 26 -10.091 40.781 12.717
213 HD22 LEU 26 HD22 LEU 26 -8.637 39.993 13.337
214 HD23 LEU 26 HD23 LEU 26 -8.636 41.771 13.084
215 H AIB 27 H ALA 27 -9.823 42.831 7.672
216 HB11 AIB 27 H21 ALA 27 -8.623 46.662 7.483
217 HB12 AIB 27 H22 ALA 27 -8.905 46.010 9.113
218 HB13 AIB 27 H23 ALA 27 -7.886 45.109 7.971
219 HB21 AIB 27 H31 ALA 27 -8.894 44.168 5.757
220 HB22 AIB 27 H32 ALA 27 -10.658 44.167 5.521
221 HB23 AIB 27 H33 ALA 27 -9.758 45.694 5.427
222 H ALA 28 H ALA 28 -12.513 44.123 7.479
223 HA ALA 28 HA ALA 28 -13.846 46.599 7.040
224 HB1 ALA 28 H21 ALA 28 -14.776 43.980 8.405
225 HB2 ALA 28 H22 ALA 28 -15.852 45.378 8.174
226 HB3 ALA 28 H23 ALA 28 -15.137 44.550 6.763
227 H GLY 29 H GLY 29 -13.221 44.725 10.061
228 HA2 GLY 29 HA2 GLY 29 -12.162 46.482 11.732
229 HA3 GLY 29 HA3 GLY 29 -13.818 47.136 11.713
230 H GLY 30 H GLY 30 -12.231 43.873 11.857
231 HA2 GLY 30 HA2 GLY 30 -13.222 41.971 12.882
232 HA3 GLY 30 HA3 GLY 30 -12.214 42.815 14.042
233 HA PRO 31 HA PRO 31 -16.282 41.952 16.082
234 HB2 PRO 31 HB2 PRO 31 -14.744 43.102 18.469
235 HB3 PRO 31 HB3 PRO 31 -15.828 41.681 18.400
236 HG2 PRO 31 HG2 PRO 31 -13.111 41.317 18.391
237 HG3 PRO 31 HG3 PRO 31 -14.174 40.362 17.309
238 HD2 PRO 31 HD2 PRO 31 -12.457 42.802 16.523
239 HD3 PRO 31 HD3 PRO 31 -12.665 41.228 15.703
240 HA PRO 32 HA PRO 32 -16.696 46.694 17.430
241 HB2 PRO 32 HB2 PRO 32 -14.938 47.506 15.026
242 HB3 PRO 32 HB3 PRO 32 -15.382 48.506 16.450
243 HG2 PRO 32 HG2 PRO 32 -12.991 47.285 16.518
244 HG3 PRO 32 HG3 PRO 32 -14.074 47.042 17.925
245 HD2 PRO 32 HD3 PRO 32 -13.627 45.153 15.573
246 HD3 PRO 32 HD2 PRO 32 -13.625 44.774 17.333
247 H SER 33 H SER 33 -16.398 45.441 13.984
248 HA SER 33 HA SER 33 -18.664 47.019 13.088
249 HB2 SER 33 HB2 SER 33 -17.532 44.469 11.851
250 HB3 SER 33 HB3 SER 33 -18.505 45.729 11.021
251 HG SER 33 HG SER 33 -16.164 46.038 10.694
252 H AIB 34 H AIB 34 -18.675 44.273 15.198
253 HB11 AIB 34 H31 AIB 34 -22.684 43.481 15.531
254 HB12 AIB 34 H32 AIB 34 -21.702 44.887 16.018
255 HB13 AIB 34 H33 AIB 34 -22.245 44.715 14.331
256 HB21 AIB 34 H21 AIB 34 -19.292 41.947 16.005
257 HB22 AIB 34 H22 AIB 34 -20.073 43.191 17.012
258 HB23 AIB 34 H23 AIB 34 -21.027 41.819 16.386
259 H LYS 35 H LYS 35 -18.672 42.134 13.652
260 HA LYS 35 HA LYS 35 -20.562 40.494 11.999
261 HB2 LYS 35 H42 LYS 35 -17.888 41.823 11.309
262 HB3 LYS 35 H43 LYS 35 -18.601 40.540 10.300
263 HG2 LYS 35 H23 LYS 35 -20.615 41.893 9.891
264 HG3 LYS 35 H22 LYS 35 -20.042 43.171 10.983
265 HD2 LYS 35 H33 LYS 35 -18.131 43.647 9.464
266 HD3 LYS 35 H32 LYS 35 -18.607 42.322 8.399
267 HE2 LYS 35 H53 LYS 35 -20.742 43.489 7.885
268 HE3 LYS 35 H52 LYS 35 -20.358 44.771 9.036
269 HZ1 LYS 35 H71 LYS 35 -18.414 45.405 7.700
270 HZ2 LYS 35 H72 LYS 35 -18.750 44.082 6.570
271 HZ3 LYS 35 H73 LYS 35 -19.887 45.432 6.720
272 HA PRO 36 HA PRO 36 -18.826 37.561 14.573
273 HB2 PRO 36 HB2 PRO 36 -18.926 35.125 13.160
274 HB3 PRO 36 HB3 PRO 36 -20.385 36.079 13.566
275 HG2 PRO 36 HG2 PRO 36 -18.784 36.224 10.974
276 HG3 PRO 36 HG3 PRO 36 -20.524 35.831 11.126
277 HD2 PRO 36 HD2 PRO 36 -19.773 38.403 10.604
278 HD3 PRO 36 HD3 PRO 36 -21.038 38.122 11.861
279 HA PRO 37 HA PRO 37 -14.451 36.731 13.679
280 HB2 PRO 37 HB2 PRO 37 -13.834 34.804 15.591
281 HB3 PRO 37 HB3 PRO 37 -14.416 36.420 16.076
282 HG2 PRO 37 HG2 PRO 37 -16.143 33.922 15.647
283 HG3 PRO 37 HG3 PRO 37 -15.995 34.838 17.180
284 HD2 PRO 37 HD2 PRO 37 -18.027 35.383 15.433
285 HD3 PRO 37 HD3 PRO 37 -17.164 36.767 16.208
286 HA PRO 38 HA PRO 38 -14.321 33.449 10.703
287 HB2 PRO 38 HB2 PRO 38 -12.309 31.933 12.478
288 HB3 PRO 38 HB3 PRO 38 -12.251 32.135 10.700
289 HG2 PRO 38 HG2 PRO 38 -10.721 33.803 12.113
290 HG3 PRO 38 HG3 PRO 38 -11.868 34.554 10.947
291 HD2 PRO 38 HD2 PRO 38 -12.288 34.201 13.951
292 HD3 PRO 38 HD3 PRO 38 -12.451 35.723 12.986
293 H LYS 39 H LYS 39 -14.513 32.208 14.123
294 HA LYS 39 HA LYS 39 -16.425 30.083 13.148
295 HB2 LYS 39 H42 LYS 39 -14.789 30.126 15.731
296 HB3 LYS 39 H43 LYS 39 -15.829 28.814 15.120
297 HG2 LYS 39 H23 LYS 39 -14.318 28.552 13.121
298 HG3 LYS 39 H22 LYS 39 -13.274 29.851 13.740
299 HD2 LYS 39 H33 LYS 39 -12.789 28.523 15.792
300 HD3 LYS 39 H32 LYS 39 -13.825 27.203 15.212
301 HE2 LYS 39 H53 LYS 39 -12.325 26.932 13.208
302 HE3 LYS 39 H52 LYS 39 -11.307 28.259 13.792
303 HZ1 LYS 39 H71 LYS 39 -10.826 26.966 15.830
304 HZ2 LYS 39 H73 LYS 39 -10.320 26.119 14.368
305 HZ3 LYS 39 H72 LYS 39 -11.798 25.630 15.200
306 HN1 NH2 40 H11 LYS 39 -18.469 32.799 14.582
307 HN2 NH2 40 H12 LYS 39 -17.507 32.607 13.168
308 H93 EVT 101 H93 XXX 40 -13.170 21.789 8.546
309 H92 EVT 101 H92 XXX 40 -13.283 22.152 10.288
310 H103 EVT 101 H103 XXX 40 -12.161 19.546 9.095
311 H102 EVT 101 H102 XXX 40 -11.193 20.893 9.736
312 H11 EVT 101 H11 XXX 40 -13.247 19.254 11.332
313 H122 EVT 101 H122 XXX 40 -11.668 22.284 14.369
314 H123 EVT 101 H123 XXX 40 -13.378 22.761 14.265
315 H133 EVT 101 H133 XXX 40 -13.957 20.997 15.967
316 H132 EVT 101 H132 XXX 40 -12.691 22.094 16.579
317 H143 EVT 101 H143 XXX 40 -10.919 20.431 15.911
318 H142 EVT 101 H142 XXX 40 -12.185 19.337 15.294
319 H153 EVT 101 H153 XXX 40 -13.140 19.107 17.586
320 H152 EVT 101 H152 XXX 40 -11.862 20.168 18.248
321 H6 EVT 101 H6 XXX 40 -14.307 19.545 7.891
322 H163 EVT 101 H163 XXX 40 -10.096 18.589 17.474
323 H162 EVT 101 H162 XXX 40 -11.338 17.586 16.690
324 H173 EVT 101 H173 XXX 40 -12.339 17.025 18.929
325 H172 EVT 101 H172 XXX 40 -11.163 18.113 19.705
326 H183 EVT 101 H183 XXX 40 -10.412 15.772 19.984
327 H182 EVT 101 H182 XXX 40 -9.283 16.643 18.922
328 H193 EVT 101 H193 XXX 40 -10.426 15.545 16.912
329 H192 EVT 101 H192 XXX 40 -11.496 14.669 18.036
330 H203 EVT 101 H203 XXX 40 -9.447 13.538 19.021
331 H202 EVT 101 H202 XXX 40 -8.419 14.464 17.891
332 H213 EVT 101 H213 XXX 40 -9.675 13.436 15.946
333 H212 EVT 101 H212 XXX 40 -10.596 12.435 17.100
334 H223 EVT 101 H223 XXX 40 -8.464 11.328 17.834
335 H222 EVT 101 H222 XXX 40 -7.521 12.388 16.760
336 H25 EVT 101 H25 XXX 40 -11.337 21.416 12.193
337 H293 EVT 101 H293 XXX 40 -8.726 11.487 14.772
338 H292 EVT 101 H292 XXX 40 -9.672 10.386 15.809
339 H303 EVT 101 H303 XXX 40 -7.519 9.293 16.566
340 H302 EVT 101 H302 XXX 40 -6.614 10.349 15.453
341 H313 EVT 101 H313 XXX 40 -8.708 8.211 14.671
342 H312 EVT 101 H312 XXX 40 -6.944 8.125 14.456
343 H321 EVT 101 H321 XXX 40 -8.932 9.970 12.965
344 H323 EVT 101 H323 XXX 40 -7.905 8.700 12.272
345 H322 EVT 101 H322 XXX 40 -7.159 10.197 12.894
346 H353 EVT 101 H353 XXX 40 -15.563 19.360 5.825
347 H352 EVT 101 H352 XXX 40 -16.849 18.274 5.275
348 H363 EVT 101 H363 XXX 40 -15.710 17.415 7.337
349 H362 EVT 101 H362 XXX 40 -17.465 17.655 7.530
350 H37 EVT 101 H37 XXX 40 -17.057 19.800 8.734
Start of MODEL 7
1 H1 HIS 1 H1 HIS 1 -9.715 3.879 1.710
2 H2 HIS 1 H2 HIS 1 -10.664 2.433 1.460
3 H3 HIS 1 H3 HIS 1 -10.979 3.855 0.518
4 HA HIS 1 HA HIS 1 -12.680 3.605 2.236
5 HB2 HIS 1 HB2 HIS 1 -11.399 2.329 3.921
6 HB3 HIS 1 HB3 HIS 1 -10.276 3.686 4.147
7 HD1 HIS 1 HD1 HIS 1 -14.080 3.344 4.322
8 HD2 HIS 1 HD2 HIS 1 -10.803 4.881 6.460
9 HE1 HIS 1 HE1 HIS 1 -15.053 4.407 6.395
10 H AIB 2 H AIB 2 -13.692 5.614 3.095
11 HB11 AIB 2 H31 AIB 2 -14.330 9.180 3.480
12 HB12 AIB 2 H32 AIB 2 -15.166 7.682 2.986
13 HB13 AIB 2 H33 AIB 2 -14.292 7.743 4.538
14 HB21 AIB 2 H21 AIB 2 -13.190 9.097 1.183
15 HB22 AIB 2 H22 AIB 2 -12.111 7.741 0.759
16 HB23 AIB 2 H23 AIB 2 -13.877 7.497 0.780
17 H GLN 3 H GLN 3 -12.019 7.063 5.151
18 HA GLN 3 HA GLN 3 -10.442 8.085 6.528
19 HB2 GLN 3 H42 GLN 3 -8.967 8.454 3.861
20 HB3 GLN 3 H43 GLN 3 -8.239 8.639 5.472
21 HG2 GLN 3 H32 GLN 3 -8.664 6.263 6.006
22 HG3 GLN 3 H33 GLN 3 -9.574 6.043 4.494
23 HE21 GLN 3 H61 GLN 3 -5.434 6.276 4.377
24 HE22 GLN 3 H62 GLN 3 -6.261 6.902 5.753
25 H GLY 4 H GLY 4 -12.717 9.578 5.986
26 HA2 GLY 4 HA2 GLY 4 -13.492 11.749 6.057
27 HA3 GLY 4 HA3 GLY 4 -11.959 12.060 6.908
28 H THR 5 H THR 5 -12.512 11.161 3.382
29 HA THR 5 HA THR 5 -10.772 13.354 2.595
30 HB THR 5 HB THR 5 -12.629 11.609 0.891
31 HG1 THR 5 HG1 THR 5 -10.579 10.497 0.536
32 HG21 THR 5 HG21 THR 5 -10.353 13.539 0.079
33 HG22 THR 5 HG22 THR 5 -11.154 12.384 -1.021
34 HG23 THR 5 HG23 THR 5 -12.085 13.729 -0.318
35 H PHE 6 H PHE 6 -14.387 12.742 2.265
36 HA PHE 6 HA PHE 6 -14.732 15.266 0.941
37 HB2 PHE 6 HB2 PHE 6 -16.407 13.526 0.566
38 HB3 PHE 6 HB3 PHE 6 -16.756 13.406 2.304
39 HD1 PHE 6 HD1 PHE 6 -18.717 14.558 3.039
40 HD2 PHE 6 HD2 PHE 6 -16.592 16.121 -0.367
41 HE1 PHE 6 HE1 PHE 6 -20.518 16.201 2.662
42 HE2 PHE 6 HE2 PHE 6 -18.320 17.866 -0.637
43 HZ PHE 6 HZ PHE 6 -20.313 17.884 0.845
44 H THR 7 H THR 7 -15.377 14.204 4.405
45 HA THR 7 HA THR 7 -16.390 16.719 5.161
46 HB THR 7 HB THR 7 -16.393 14.615 6.638
47 HG1 THR 7 HG1 THR 7 -16.914 16.729 7.515
48 HG21 THR 7 HG21 THR 7 -13.901 14.111 6.448
49 HG22 THR 7 HG22 THR 7 -13.560 15.573 7.420
50 HG23 THR 7 HG23 THR 7 -14.462 14.218 8.136
51 H SER 8 H SER 8 -12.958 15.593 4.717
52 HA SER 8 HA SER 8 -11.830 17.886 6.008
53 HB2 SER 8 HB2 SER 8 -10.450 15.889 5.554
54 HB3 SER 8 HB3 SER 8 -10.633 16.116 3.795
55 HG SER 8 HG SER 8 -9.480 18.175 4.132
56 H ASP 9 H ASP 9 -12.882 17.178 2.555
57 HA ASP 9 HA ASP 9 -11.719 19.574 1.535
58 HB2 ASP 9 HB2 ASP 9 -14.172 18.023 0.489
59 HB3 ASP 9 HB3 ASP 9 -13.279 19.278 -0.410
60 H LEU 10 H LEU 10 -15.102 18.828 2.822
61 HA LEU 10 HA LEU 10 -16.053 21.464 2.558
62 HB2 LEU 10 HB2 LEU 10 -16.539 19.441 4.840
63 HB3 LEU 10 HB3 LEU 10 -17.373 21.006 4.752
64 HG LEU 10 HG LEU 10 -17.603 18.810 2.598
65 HD11 LEU 10 HD11 LEU 10 -19.466 19.577 4.935
66 HD12 LEU 10 HD12 LEU 10 -19.903 18.468 3.613
67 HD13 LEU 10 HD13 LEU 10 -18.585 18.030 4.729
68 HD21 LEU 10 HD21 LEU 10 -19.169 21.429 3.066
69 HD22 LEU 10 HD22 LEU 10 -18.117 21.089 1.661
70 HD23 LEU 10 HD23 LEU 10 -19.620 20.178 1.879
71 H SER 11 H SER 11 -14.125 19.982 5.310
72 HA SER 11 HA SER 11 -14.199 22.394 6.815
73 HB2 SER 11 HB2 SER 11 -12.085 20.160 6.831
74 HB3 SER 11 HB3 SER 11 -12.165 21.489 8.007
75 HG SER 11 HG SER 11 -14.271 19.581 7.638
76 H LYS 12 H LYS 12 -12.097 21.421 4.042
77 HA LYS 12 HA LYS 12 -10.277 23.666 4.481
78 HB2 LYS 12 HB2 LYS 12 -10.811 21.968 1.978
79 HB3 LYS 12 HB3 LYS 12 -9.622 23.290 2.052
80 HG2 LYS 12 HG2 LYS 12 -8.346 22.161 3.809
81 HG3 LYS 12 HG3 LYS 12 -9.535 20.847 3.932
82 HD2 LYS 12 HD2 LYS 12 -9.079 20.095 1.654
83 HD3 LYS 12 HD3 LYS 12 -7.981 21.462 1.338
84 HE2 LYS 12 HE2 LYS 12 -7.455 19.330 3.503
85 HE3 LYS 12 HE3 LYS 12 -6.867 19.202 1.827
86 HZ1 LYS 12 HZ1 LYS 12 -5.578 21.271 2.116
87 HZ2 LYS 12 HZ2 LYS 12 -6.093 21.401 3.777
88 HZ3 LYS 12 HZ3 LYS 12 -5.119 20.065 3.265
89 H GLN 13 H GLN 13 -13.301 23.037 2.499
90 HA GLN 13 HA GLN 13 -13.353 25.585 1.246
91 HB2 GLN 13 HB2 GLN 13 -15.734 23.886 2.223
92 HB3 GLN 13 HB3 GLN 13 -15.873 25.360 1.240
93 HG2 GLN 13 HG2 GLN 13 -14.520 24.244 -0.581
94 HG3 GLN 13 HG3 GLN 13 -14.511 22.746 0.380
95 HE21 GLN 13 HE21 GLN 13 -17.283 22.251 -1.948
96 HE22 GLN 13 HE22 GLN 13 -15.560 22.327 -2.031
97 H LYS 14 H LYS 14 -14.589 24.497 4.516
98 HA LYS 14 HA LYS 14 -15.808 27.006 5.095
99 HB2 LYS 14 HB2 LYS 14 -14.667 25.041 7.178
100 HB3 LYS 14 HB3 LYS 14 -15.747 26.427 7.461
101 HG2 LYS 14 HG2 LYS 14 -17.416 25.228 5.826
102 HG3 LYS 14 HG3 LYS 14 -16.378 23.792 6.004
103 HD2 LYS 14 HD2 LYS 14 -16.629 24.078 8.571
104 HD3 LYS 14 HD3 LYS 14 -17.872 25.300 8.197
105 HE2 LYS 14 HE2 LYS 14 -19.154 23.297 8.463
106 HE3 LYS 14 HE3 LYS 14 -18.964 23.372 6.691
107 HZ1 LYS 14 HZ1 LYS 14 -16.798 21.861 7.713
108 H ASP 15 H ASP 15 -12.586 25.525 6.037
109 HA ASP 15 HA ASP 15 -11.706 27.664 7.539
110 HB2 ASP 15 H32 ASP 15 -10.432 25.489 7.244
111 HB3 ASP 15 H33 ASP 15 -9.875 26.042 5.653
112 H GLU 16 H GLU 16 -11.395 27.180 3.937
113 HA GLU 16 HA GLU 16 -9.857 29.554 3.532
114 HB2 GLU 16 HB2 GLU 16 -11.613 27.937 1.610
115 HB3 GLU 16 HB3 GLU 16 -10.701 29.381 1.095
116 HG2 GLU 16 HG2 GLU 16 -8.555 28.360 1.750
117 HG3 GLU 16 HG3 GLU 16 -9.394 26.955 2.452
118 H GLN 17 H GLN 17 -13.502 29.041 3.391
119 HA GLN 17 HA GLN 17 -13.920 31.780 2.572
120 HB2 GLN 17 H42 GLN 17 -15.664 29.975 2.332
121 HB3 GLN 17 H43 GLN 17 -15.868 29.965 4.101
122 HG2 GLN 17 H32 GLN 17 -16.487 32.461 3.970
123 HG3 GLN 17 H33 GLN 17 -16.371 32.368 2.201
124 HE21 GLN 17 H61 GLN 17 -19.374 30.347 1.836
125 HE22 GLN 17 H62 GLN 17 -17.832 30.584 1.104
126 H ARG 18 H ARG 18 -13.901 30.086 5.770
127 HA ARG 18 HA ARG 18 -14.472 32.420 7.330
128 HB2 ARG 18 H42 ARG 18 -13.069 29.764 8.039
129 HB3 ARG 18 H43 ARG 18 -13.449 31.047 9.206
130 HG2 ARG 18 H33 ARG 18 -15.871 30.852 8.700
131 HG3 ARG 18 H32 ARG 18 -15.564 29.577 7.497
132 HD2 ARG 18 H52 ARG 18 -14.755 28.024 9.221
133 HD3 ARG 18 H53 ARG 18 -14.741 29.355 10.427
134 HE ARG 18 H10 ARG 18 -17.398 29.020 9.325
135 HH11 ARG 18 H71 ARG 18 -18.987 28.162 10.669
136 HH12 ARG 18 H72 ARG 18 -18.563 27.203 12.040
137 HH21 ARG 18 H81 ARG 18 -15.108 27.437 11.555
138 HH22 ARG 18 H82 ARG 18 -16.390 26.817 12.577
139 H ALA 19 H ALA 19 -11.483 31.341 5.781
140 HA ALA 19 HA ALA 19 -9.778 33.048 7.449
141 HB1 ALA 19 H21 ALA 19 -8.793 30.995 6.447
142 HB2 ALA 19 H22 ALA 19 -9.142 31.609 4.806
143 HB3 ALA 19 H23 ALA 19 -7.974 32.464 5.845
144 H LYS 20 H LYS 20 -11.223 33.010 4.069
145 HA LYS 20 HA LYS 20 -10.260 35.547 3.289
146 HB2 LYS 20 H42 LYS 20 -11.497 34.068 1.716
147 HB3 LYS 20 H43 LYS 20 -12.971 34.211 2.713
148 HG2 LYS 20 H23 LYS 20 -13.181 36.612 2.182
149 HG3 LYS 20 H22 LYS 20 -11.595 36.605 1.365
150 HD2 LYS 20 H33 LYS 20 -13.431 36.599 -0.292
151 HD3 LYS 20 H32 LYS 20 -12.474 35.102 -0.420
152 HE2 LYS 20 H53 LYS 20 -14.240 33.819 0.772
153 HE3 LYS 20 H52 LYS 20 -15.150 35.317 1.104
154 HZ1 LYS 20 H71 LYS 20 -16.071 34.046 -0.782
155 HZ2 LYS 20 H72 LYS 20 -15.493 35.625 -1.297
156 HZ3 LYS 20 H73 LYS 20 -14.538 34.184 -1.637
157 H LEU 21 H LEU 21 -13.091 34.569 5.428
158 HA LEU 21 HA LEU 21 -13.906 37.273 5.893
159 HB2 LEU 21 HB2 LEU 21 -13.966 34.932 7.893
160 HB3 LEU 21 HB3 LEU 21 -14.581 36.556 8.217
161 HG LEU 21 HG LEU 21 -15.701 34.674 6.072
162 HD11 LEU 21 HD11 LEU 21 -17.560 34.350 7.707
163 HD12 LEU 21 HD12 LEU 21 -16.030 33.850 8.463
164 HD13 LEU 21 HD13 LEU 21 -16.751 35.423 8.881
165 HD21 LEU 21 HD21 LEU 21 -17.679 36.316 6.170
166 HD22 LEU 21 HD22 LEU 21 -16.687 37.400 7.177
167 HD23 LEU 21 HD23 LEU 21 -16.211 37.055 5.491
168 H PHE 22 H PHE 22 -11.643 35.055 7.808
169 HA PHE 22 HA PHE 22 -11.114 36.711 9.771
170 HB2 PHE 22 HB2 PHE 22 -9.967 34.469 9.481
171 HB3 PHE 22 HB3 PHE 22 -8.894 35.187 8.283
172 HD1 PHE 22 HD1 PHE 22 -6.867 34.584 9.386
173 HD2 PHE 22 HD2 PHE 22 -9.814 36.771 11.634
174 HE1 PHE 22 HE1 PHE 22 -5.182 35.120 11.103
175 HE2 PHE 22 HE2 PHE 22 -8.095 37.431 13.249
176 HZ PHE 22 HZ PHE 22 -5.764 36.614 13.001
177 H ILE 23 H ILE 23 -9.130 36.971 6.718
178 HA ILE 23 HA ILE 23 -7.999 39.416 7.741
179 HB ILE 23 HB ILE 23 -6.836 37.896 6.056
180 HG12 ILE 23 HG12 ILE 23 -5.786 39.715 4.698
181 HG13 ILE 23 HG13 ILE 23 -7.030 40.865 5.241
182 HG21 ILE 23 HG21 ILE 23 -8.649 39.274 3.985
183 HG22 ILE 23 HG22 ILE 23 -7.350 38.098 3.662
184 HG23 ILE 23 HG23 ILE 23 -8.828 37.572 4.491
185 HD11 ILE 23 HD11 ILE 23 -5.083 39.374 7.127
186 HD12 ILE 23 HD12 ILE 23 -4.795 41.006 6.464
187 HD13 ILE 23 HD13 ILE 23 -6.149 40.743 7.579
188 H GLU 24 H GLU 24 -10.792 38.817 5.450
189 HA GLU 24 HA GLU 24 -10.946 41.642 4.807
190 HB2 GLU 24 HB2 GLU 24 -13.073 39.435 4.578
191 HB3 GLU 24 HB3 GLU 24 -13.340 41.138 4.124
192 HG2 GLU 24 HG2 GLU 24 -11.530 41.013 2.434
193 HG3 GLU 24 HG3 GLU 24 -11.121 39.360 2.949
194 H TRP 25 H TRP 25 -13.056 39.548 6.926
195 HA TRP 25 HA TRP 25 -14.345 41.338 8.488
196 HB2 TRP 25 HB2 TRP 25 -14.350 38.877 8.856
197 HB3 TRP 25 HB3 TRP 25 -12.662 38.910 9.423
198 HD1 TRP 25 HD1 TRP 25 -15.983 40.589 10.451
199 HE1 TRP 25 HE1 TRP 25 -16.180 40.425 12.985
200 HE3 TRP 25 HE3 TRP 25 -11.348 38.641 11.521
201 HZ2 TRP 25 HZ2 TRP 25 -14.768 39.437 15.116
202 HZ3 TRP 25 HZ3 TRP 25 -10.753 38.313 13.935
203 HH2 TRP 25 HH2 TRP 25 -12.483 38.568 15.695
204 H LEU 26 H LEU 26 -10.752 40.574 8.941
205 HA LEU 26 HA LEU 26 -10.587 42.337 11.204
206 HB2 LEU 26 HB2 LEU 26 -8.345 41.517 9.289
207 HB3 LEU 26 HB3 LEU 26 -8.146 42.643 10.650
208 HG LEU 26 HG LEU 26 -8.822 39.654 10.869
209 HD11 LEU 26 HD11 LEU 26 -6.441 40.294 10.340
210 HD12 LEU 26 HD12 LEU 26 -6.405 41.260 11.843
211 HD13 LEU 26 HD13 LEU 26 -6.626 39.487 11.923
212 HD21 LEU 26 HD21 LEU 26 -10.075 40.697 12.688
213 HD22 LEU 26 HD22 LEU 26 -8.588 40.007 13.354
214 HD23 LEU 26 HD23 LEU 26 -8.696 41.773 13.072
215 H AIB 27 H ALA 27 -9.769 42.742 7.659
216 HB11 AIB 27 H21 ALA 27 -8.567 46.557 7.381
217 HB12 AIB 27 H22 ALA 27 -8.817 45.879 9.010
218 HB13 AIB 27 H23 ALA 27 -7.821 44.990 7.827
219 HB21 AIB 27 H31 ALA 27 -8.929 44.008 5.690
220 HB22 AIB 27 H32 ALA 27 -10.701 44.094 5.503
221 HB23 AIB 27 H33 ALA 27 -9.726 45.574 5.372
222 H ALA 28 H ALA 28 -12.475 44.027 7.524
223 HA ALA 28 HA ALA 28 -13.796 46.501 7.067
224 HB1 ALA 28 H21 ALA 28 -14.828 44.022 8.641
225 HB2 ALA 28 H22 ALA 28 -15.816 45.382 8.049
226 HB3 ALA 28 H23 ALA 28 -14.989 44.296 6.890
227 H GLY 29 H GLY 29 -13.093 44.682 10.108
228 HA2 GLY 29 HA2 GLY 29 -12.043 46.418 11.778
229 HA3 GLY 29 HA3 GLY 29 -13.673 47.130 11.725
230 H GLY 30 H GLY 30 -12.185 43.811 11.930
231 HA2 GLY 30 HA2 GLY 30 -13.254 41.944 12.941
232 HA3 GLY 30 HA3 GLY 30 -12.248 42.770 14.115
233 HA PRO 31 HA PRO 31 -16.367 41.971 16.054
234 HB2 PRO 31 HB2 PRO 31 -14.922 43.134 18.481
235 HB3 PRO 31 HB3 PRO 31 -16.005 41.731 18.389
236 HG2 PRO 31 HG2 PRO 31 -13.293 41.327 18.464
237 HG3 PRO 31 HG3 PRO 31 -14.316 40.377 17.358
238 HD2 PRO 31 HD2 PRO 31 -12.576 42.800 16.595
239 HD3 PRO 31 HD3 PRO 31 -12.775 41.229 15.774
240 HA PRO 32 HA PRO 32 -16.834 46.723 17.367
241 HB2 PRO 32 HB2 PRO 32 -14.967 47.517 15.043
242 HB3 PRO 32 HB3 PRO 32 -15.446 48.534 16.439
243 HG2 PRO 32 HG2 PRO 32 -13.060 47.277 16.603
244 HG3 PRO 32 HG3 PRO 32 -14.197 47.047 17.972
245 HD2 PRO 32 HD3 PRO 32 -13.685 45.130 15.636
246 HD3 PRO 32 HD2 PRO 32 -13.749 44.772 17.400
247 H SER 33 H SER 33 -16.333 45.404 13.980
248 HA SER 33 HA SER 33 -18.466 46.961 12.848
249 HB2 SER 33 HB2 SER 33 -17.364 44.249 11.923
250 HB3 SER 33 HB3 SER 33 -18.312 45.410 10.936
251 HG SER 33 HG SER 33 -15.970 45.697 10.649
252 H AIB 34 H AIB 34 -18.722 44.337 15.145
253 HB11 AIB 34 H31 AIB 34 -21.803 45.175 15.747
254 HB12 AIB 34 H32 AIB 34 -22.274 44.857 14.059
255 HB13 AIB 34 H33 AIB 34 -22.793 43.747 15.337
256 HB21 AIB 34 H21 AIB 34 -19.498 42.172 16.143
257 HB22 AIB 34 H22 AIB 34 -20.321 43.492 17.008
258 HB23 AIB 34 H23 AIB 34 -21.258 42.103 16.391
259 H LYS 35 H LYS 35 -18.745 42.083 13.826
260 HA LYS 35 HA LYS 35 -20.636 40.416 12.224
261 HB2 LYS 35 H42 LYS 35 -17.955 41.676 11.411
262 HB3 LYS 35 H43 LYS 35 -18.759 40.389 10.473
263 HG2 LYS 35 H23 LYS 35 -20.754 41.870 10.146
264 HG3 LYS 35 H22 LYS 35 -19.973 43.149 11.117
265 HD2 LYS 35 H33 LYS 35 -18.096 43.295 9.449
266 HD3 LYS 35 H32 LYS 35 -18.868 42.015 8.472
267 HE2 LYS 35 H53 LYS 35 -20.885 43.468 8.138
268 HE3 LYS 35 H52 LYS 35 -20.154 44.743 9.150
269 HZ1 LYS 35 H71 LYS 35 -18.314 44.953 7.545
270 HZ2 LYS 35 H72 LYS 35 -19.015 43.680 6.553
271 HZ3 LYS 35 H73 LYS 35 -19.868 45.203 6.764
272 HA PRO 36 HA PRO 36 -18.739 37.559 14.832
273 HB2 PRO 36 HB2 PRO 36 -18.918 35.099 13.477
274 HB3 PRO 36 HB3 PRO 36 -20.361 36.041 13.969
275 HG2 PRO 36 HG2 PRO 36 -18.926 36.199 11.268
276 HG3 PRO 36 HG3 PRO 36 -20.639 35.740 11.526
277 HD2 PRO 36 HD2 PRO 36 -20.041 38.344 10.950
278 HD3 PRO 36 HD3 PRO 36 -21.168 38.036 12.328
279 HA PRO 37 HA PRO 37 -14.439 36.810 13.652
280 HB2 PRO 37 HB2 PRO 37 -13.664 34.862 15.527
281 HB3 PRO 37 HB3 PRO 37 -14.175 36.497 16.024
282 HG2 PRO 37 HG2 PRO 37 -15.923 33.991 15.827
283 HG3 PRO 37 HG3 PRO 37 -15.662 34.982 17.290
284 HD2 PRO 37 HD2 PRO 37 -17.842 35.431 15.668
285 HD3 PRO 37 HD3 PRO 37 -16.943 36.840 16.350
286 HA PRO 38 HA PRO 38 -14.192 33.631 10.616
287 HB2 PRO 38 HB2 PRO 38 -12.179 32.170 12.448
288 HB3 PRO 38 HB3 PRO 38 -12.103 32.298 10.666
289 HG2 PRO 38 HG2 PRO 38 -10.647 34.091 11.973
290 HG3 PRO 38 HG3 PRO 38 -11.872 34.736 10.827
291 HD2 PRO 38 HD2 PRO 38 -12.176 34.450 13.843
292 HD3 PRO 38 HD3 PRO 38 -12.440 35.934 12.849
293 H LYS 39 H LYS 39 -14.294 32.031 13.946
294 HA LYS 39 HA LYS 39 -15.606 29.691 13.017
295 HB2 LYS 39 H42 LYS 39 -15.811 31.145 15.718
296 HB3 LYS 39 H43 LYS 39 -16.680 29.630 15.365
297 HG2 LYS 39 H23 LYS 39 -14.584 28.426 14.886
298 HG3 LYS 39 H22 LYS 39 -13.621 29.900 15.179
299 HD2 LYS 39 H33 LYS 39 -14.329 29.955 17.550
300 HD3 LYS 39 H32 LYS 39 -15.458 28.593 17.296
301 HE2 LYS 39 H53 LYS 39 -13.550 27.075 16.747
302 HE3 LYS 39 H52 LYS 39 -12.397 28.424 16.948
303 HZ1 LYS 39 H71 LYS 39 -12.533 26.961 18.934
304 HZ2 LYS 39 H73 LYS 39 -14.229 27.370 19.119
305 HZ3 LYS 39 H72 LYS 39 -13.001 28.613 19.292
306 HN1 NH2 40 H11 LYS 39 -18.579 32.576 13.325
307 HN2 NH2 40 H12 LYS 39 -17.029 32.932 13.976
308 H93 EVT 101 H93 XXX 40 -12.965 18.280 9.584
309 H92 EVT 101 H92 XXX 40 -12.625 18.274 11.328
310 H103 EVT 101 H103 XXX 40 -14.354 16.229 9.822
311 H102 EVT 101 H102 XXX 40 -12.695 15.964 10.399
312 H11 EVT 101 H11 XXX 40 -15.072 16.640 12.222
313 H122 EVT 101 H122 XXX 40 -11.783 16.673 15.224
314 H123 EVT 101 H123 XXX 40 -13.099 16.392 16.382
315 H133 EVT 101 H133 XXX 40 -11.539 14.224 14.829
316 H132 EVT 101 H132 XXX 40 -12.960 13.899 15.864
317 H143 EVT 101 H143 XXX 40 -11.761 14.763 17.865
318 H142 EVT 101 H142 XXX 40 -10.327 15.149 16.874
319 H153 EVT 101 H153 XXX 40 -9.995 12.753 16.329
320 H152 EVT 101 H152 XXX 40 -11.523 12.322 17.135
321 H6 EVT 101 H6 XXX 40 -15.630 18.114 9.180
322 H163 EVT 101 H163 XXX 40 -10.593 13.006 19.348
323 H162 EVT 101 H162 XXX 40 -9.059 13.488 18.570
324 H173 EVT 101 H173 XXX 40 -8.665 11.143 17.820
325 H172 EVT 101 H172 XXX 40 -10.269 10.650 18.414
326 H183 EVT 101 H183 XXX 40 -8.529 9.869 19.916
327 H182 EVT 101 H182 XXX 40 -9.592 11.014 20.762
328 H193 EVT 101 H193 XXX 40 -7.914 12.758 20.753
329 H192 EVT 101 H192 XXX 40 -6.904 11.908 19.553
330 H203 EVT 101 H203 XXX 40 -6.400 10.101 21.156
331 H202 EVT 101 H202 XXX 40 -7.505 10.798 22.368
332 H213 EVT 101 H213 XXX 40 -6.059 12.799 22.596
333 H212 EVT 101 H212 XXX 40 -4.970 12.201 21.315
334 H223 EVT 101 H223 XXX 40 -4.451 10.176 22.698
335 H222 EVT 101 H222 XXX 40 -5.531 10.765 23.989
336 H25 EVT 101 H25 XXX 40 -12.251 16.215 12.848
337 H293 EVT 101 H293 XXX 40 -4.088 12.843 24.198
338 H292 EVT 101 H292 XXX 40 -2.953 12.153 23.012
339 H303 EVT 101 H303 XXX 40 -3.690 10.909 25.745
340 H302 EVT 101 H302 XXX 40 -2.220 11.858 25.403
341 H313 EVT 101 H313 XXX 40 -1.499 10.125 23.711
342 H312 EVT 101 H312 XXX 40 -2.924 9.137 24.150
343 H321 EVT 101 H321 XXX 40 -0.911 8.331 25.371
344 H323 EVT 101 H323 XXX 40 -2.117 8.974 26.520
345 H322 EVT 101 H322 XXX 40 -0.680 9.947 26.095
346 H353 EVT 101 H353 XXX 40 -16.939 19.410 7.480
347 H352 EVT 101 H352 XXX 40 -18.566 18.756 7.197
348 H363 EVT 101 H363 XXX 40 -18.101 17.852 9.349
349 H362 EVT 101 H362 XXX 40 -19.059 19.298 9.705
350 H37 EVT 101 H37 XXX 40 -16.781 20.523 10.040
Start of MODEL 8
1 H1 HIS 1 H1 HIS 1 -11.051 3.637 0.641
2 H2 HIS 1 H2 HIS 1 -10.720 5.339 0.453
3 H3 HIS 1 H3 HIS 1 -11.221 4.695 1.996
4 HA HIS 1 HA HIS 1 -12.910 4.716 -0.511
5 HB2 HIS 1 HB2 HIS 1 -13.375 2.839 1.162
6 HB3 HIS 1 HB3 HIS 1 -13.674 4.079 2.407
7 HD1 HIS 1 HD1 HIS 1 -14.934 3.194 -1.075
8 HD2 HIS 1 HD2 HIS 1 -16.236 4.782 2.591
9 HE1 HIS 1 HE1 HIS 1 -17.425 3.552 -1.332
10 H AIB 2 H AIB 2 -14.890 6.281 -0.222
11 HB11 AIB 2 H31 AIB 2 -16.469 9.489 0.562
12 HB12 AIB 2 H32 AIB 2 -16.472 8.199 -0.673
13 HB13 AIB 2 H33 AIB 2 -16.789 7.795 1.030
14 HB21 AIB 2 H21 AIB 2 -14.164 10.103 -0.432
15 HB22 AIB 2 H22 AIB 2 -12.798 8.955 -0.295
16 HB23 AIB 2 H23 AIB 2 -14.099 8.660 -1.480
17 H GLN 3 H GLN 3 -15.413 7.194 2.911
18 HA GLN 3 HA GLN 3 -15.247 7.944 5.126
19 HB2 GLN 3 H42 GLN 3 -12.411 8.507 4.083
20 HB3 GLN 3 H43 GLN 3 -12.859 8.500 5.806
21 HG2 GLN 3 H32 GLN 3 -13.547 6.127 5.701
22 HG3 GLN 3 H33 GLN 3 -13.165 6.053 3.965
23 HE21 GLN 3 H61 GLN 3 -9.560 6.205 4.478
24 HE22 GLN 3 H62 GLN 3 -10.760 6.777 3.382
25 H GLY 4 H GLY 4 -16.574 9.851 3.455
26 HA2 GLY 4 HA2 GLY 4 -17.202 12.097 3.615
27 HA3 GLY 4 HA3 GLY 4 -16.438 12.034 5.225
28 H THR 5 H THR 5 -14.828 11.624 1.949
29 HA THR 5 HA THR 5 -12.872 13.647 2.683
30 HB THR 5 HB THR 5 -13.478 12.452 -0.075
31 HG1 THR 5 HG1 THR 5 -12.461 10.968 1.507
32 HG21 THR 5 HG21 THR 5 -11.162 14.254 0.878
33 HG22 THR 5 HG22 THR 5 -11.200 13.368 -0.671
34 HG23 THR 5 HG23 THR 5 -12.380 14.668 -0.366
35 H PHE 6 H PHE 6 -15.975 13.595 0.712
36 HA PHE 6 HA PHE 6 -15.515 16.241 -0.302
37 HB2 PHE 6 HB2 PHE 6 -17.121 14.776 -1.452
38 HB3 PHE 6 HB3 PHE 6 -18.173 14.735 -0.013
39 HD1 PHE 6 HD1 PHE 6 -19.463 16.733 0.650
40 HD2 PHE 6 HD2 PHE 6 -16.841 16.909 -2.758
41 HE1 PHE 6 HE1 PHE 6 -20.483 18.888 -0.021
42 HE2 PHE 6 HE2 PHE 6 -17.830 19.088 -3.402
43 HZ PHE 6 HZ PHE 6 -19.642 20.091 -2.027
44 H THR 7 H THR 7 -17.557 15.036 2.540
45 HA THR 7 HA THR 7 -18.325 17.696 3.178
46 HB THR 7 HB THR 7 -19.410 15.633 4.167
47 HG1 THR 7 HG1 THR 7 -18.629 17.701 5.981
48 HG21 THR 7 HG21 THR 7 -17.324 14.431 4.919
49 HG22 THR 7 HG22 THR 7 -17.014 15.729 6.110
50 HG23 THR 7 HG23 THR 7 -18.463 14.701 6.267
51 H SER 8 H SER 8 -15.315 15.772 3.952
52 HA SER 8 HA SER 8 -14.309 17.752 5.799
53 HB2 SER 8 HB2 SER 8 -13.329 15.479 5.645
54 HB3 SER 8 HB3 SER 8 -12.750 15.814 3.995
55 HG SER 8 HG SER 8 -11.447 17.546 5.009
56 H ASP 9 H ASP 9 -14.280 17.450 2.135
57 HA ASP 9 HA ASP 9 -12.504 19.658 1.811
58 HB2 ASP 9 HB2 ASP 9 -14.757 18.828 -0.121
59 HB3 ASP 9 HB3 ASP 9 -13.392 19.908 -0.480
60 H LEU 10 H LEU 10 -16.158 19.432 2.353
61 HA LEU 10 HA LEU 10 -16.563 22.209 2.023
62 HB2 LEU 10 HB2 LEU 10 -17.900 20.454 4.162
63 HB3 LEU 10 HB3 LEU 10 -18.358 22.120 3.809
64 HG LEU 10 HG LEU 10 -18.546 19.835 1.753
65 HD11 LEU 10 HD11 LEU 10 -20.682 21.043 3.599
66 HD12 LEU 10 HD12 LEU 10 -21.016 19.858 2.302
67 HD13 LEU 10 HD13 LEU 10 -20.045 19.381 3.716
68 HD21 LEU 10 HD21 LEU 10 -19.751 22.689 1.819
69 HD22 LEU 10 HD22 LEU 10 -18.487 22.129 0.687
70 HD23 LEU 10 HD23 LEU 10 -20.127 21.456 0.589
71 H SER 11 H SER 11 -15.654 20.356 5.108
72 HA SER 11 HA SER 11 -15.406 22.571 6.707
73 HB2 SER 11 HB2 SER 11 -13.367 20.244 6.680
74 HB3 SER 11 HB3 SER 11 -13.758 21.294 8.057
75 HG SER 11 HG SER 11 -15.929 20.352 7.926
76 H LYS 12 H LYS 12 -13.006 21.365 4.283
77 HA LYS 12 HA LYS 12 -10.950 23.268 5.156
78 HB2 LYS 12 HB2 LYS 12 -11.240 21.698 2.533
79 HB3 LYS 12 HB3 LYS 12 -9.836 22.699 2.967
80 HG2 LYS 12 HG2 LYS 12 -9.350 21.306 4.951
81 HG3 LYS 12 HG3 LYS 12 -10.786 20.298 4.655
82 HD2 LYS 12 HD2 LYS 12 -9.841 19.504 2.508
83 HD3 LYS 12 HD3 LYS 12 -8.425 20.574 2.692
84 HE2 LYS 12 HE2 LYS 12 -7.737 19.337 4.764
85 HE3 LYS 12 HE3 LYS 12 -9.165 18.287 4.620
86 HZ1 LYS 12 HZ1 LYS 12 -6.923 18.498 2.590
87 HZ2 LYS 12 HZ2 LYS 12 -7.186 17.175 3.694
88 HZ3 LYS 12 HZ3 LYS 12 -8.330 17.483 2.428
89 H GLN 13 H GLN 13 -13.459 23.183 2.549
90 HA GLN 13 HA GLN 13 -12.607 25.744 1.470
91 HB2 GLN 13 HB2 GLN 13 -15.169 24.087 1.108
92 HB3 GLN 13 HB3 GLN 13 -14.826 25.603 0.239
93 HG2 GLN 13 HG2 GLN 13 -12.754 24.643 -0.743
94 HG3 GLN 13 HG3 GLN 13 -13.005 23.117 0.108
95 HE21 GLN 13 HE21 GLN 13 -15.783 22.046 -1.978
96 HE22 GLN 13 HE22 GLN 13 -15.200 21.940 -0.358
97 H LYS 14 H LYS 14 -14.861 24.799 4.154
98 HA LYS 14 HA LYS 14 -16.077 27.410 4.276
99 HB2 LYS 14 HB2 LYS 14 -15.589 25.447 6.617
100 HB3 LYS 14 HB3 LYS 14 -16.524 26.964 6.647
101 HG2 LYS 14 HG2 LYS 14 -18.043 25.910 4.808
102 HG3 LYS 14 HG3 LYS 14 -17.215 24.370 5.149
103 HD2 LYS 14 HD2 LYS 14 -17.807 24.789 7.663
104 HD3 LYS 14 HD3 LYS 14 -18.801 26.139 7.069
105 HE2 LYS 14 HE2 LYS 14 -20.361 24.377 7.283
106 HE3 LYS 14 HE3 LYS 14 -19.984 24.301 5.539
107 HZ1 LYS 14 HZ1 LYS 14 -18.178 22.548 6.567
108 H ASP 15 H ASP 15 -13.225 25.694 5.844
109 HA ASP 15 HA ASP 15 -12.395 27.787 7.419
110 HB2 ASP 15 H32 ASP 15 -11.280 25.490 7.285
111 HB3 ASP 15 H33 ASP 15 -10.362 26.071 5.881
112 H GLU 16 H GLU 16 -11.786 27.282 3.859
113 HA GLU 16 HA GLU 16 -10.122 29.590 3.531
114 HB2 GLU 16 HB2 GLU 16 -12.025 28.338 1.473
115 HB3 GLU 16 HB3 GLU 16 -10.837 29.618 1.128
116 HG2 GLU 16 HG2 GLU 16 -8.970 28.098 1.855
117 HG3 GLU 16 HG3 GLU 16 -10.150 26.794 2.138
118 H GLN 17 H GLN 17 -13.775 29.237 3.141
119 HA GLN 17 HA GLN 17 -14.227 31.973 2.563
120 HB2 GLN 17 H42 GLN 17 -16.040 30.281 2.449
121 HB3 GLN 17 H43 GLN 17 -15.956 30.022 4.210
122 HG2 GLN 17 H32 GLN 17 -16.685 32.388 4.621
123 HG3 GLN 17 H33 GLN 17 -16.784 32.657 2.856
124 HE21 GLN 17 H61 GLN 17 -20.227 31.912 4.040
125 HE22 GLN 17 H62 GLN 17 -19.085 33.191 4.236
126 H ARG 18 H ARG 18 -13.746 30.282 5.712
127 HA ARG 18 HA ARG 18 -14.413 32.669 7.247
128 HB2 ARG 18 H42 ARG 18 -13.287 29.932 8.002
129 HB3 ARG 18 H43 ARG 18 -13.684 31.178 9.182
130 HG2 ARG 18 H33 ARG 18 -16.043 31.148 8.663
131 HG3 ARG 18 H32 ARG 18 -15.803 30.292 7.122
132 HD2 ARG 18 H52 ARG 18 -15.152 28.247 8.262
133 HD3 ARG 18 H53 ARG 18 -15.301 29.047 9.871
134 HE ARG 18 H10 ARG 18 -17.784 29.392 8.535
135 HH11 ARG 18 H71 ARG 18 -19.533 28.069 9.024
136 HH12 ARG 18 H72 ARG 18 -19.297 26.492 9.687
137 HH21 ARG 18 H81 ARG 18 -15.810 26.686 9.768
138 HH22 ARG 18 H82 ARG 18 -17.217 25.699 10.115
139 H ALA 19 H ALA 19 -11.486 31.485 5.756
140 HA ALA 19 HA ALA 19 -9.721 33.138 7.423
141 HB1 ALA 19 H21 ALA 19 -7.968 32.560 5.769
142 HB2 ALA 19 H22 ALA 19 -8.793 31.088 6.360
143 HB3 ALA 19 H23 ALA 19 -9.168 31.733 4.736
144 H LYS 20 H LYS 20 -11.231 33.150 4.051
145 HA LYS 20 HA LYS 20 -10.360 35.724 3.328
146 HB2 LYS 20 H42 LYS 20 -11.637 34.283 1.750
147 HB3 LYS 20 H43 LYS 20 -13.083 34.413 2.785
148 HG2 LYS 20 H23 LYS 20 -13.209 36.872 2.374
149 HG3 LYS 20 H22 LYS 20 -11.684 36.813 1.454
150 HD2 LYS 20 H33 LYS 20 -13.575 36.960 -0.099
151 HD3 LYS 20 H32 LYS 20 -12.796 35.367 -0.298
152 HE2 LYS 20 H53 LYS 20 -14.610 34.271 1.008
153 HE3 LYS 20 H52 LYS 20 -15.337 35.860 1.384
154 HZ1 LYS 20 H71 LYS 20 -16.507 34.737 -0.434
155 HZ2 LYS 20 H72 LYS 20 -15.768 36.233 -0.981
156 HZ3 LYS 20 H73 LYS 20 -15.029 34.689 -1.386
157 H LEU 21 H LEU 21 -13.114 34.620 5.514
158 HA LEU 21 HA LEU 21 -13.982 37.283 6.094
159 HB2 LEU 21 HB2 LEU 21 -13.921 34.899 8.026
160 HB3 LEU 21 HB3 LEU 21 -14.529 36.496 8.442
161 HG LEU 21 HG LEU 21 -15.735 34.683 6.285
162 HD11 LEU 21 HD11 LEU 21 -17.548 34.316 7.987
163 HD12 LEU 21 HD12 LEU 21 -15.988 33.799 8.668
164 HD13 LEU 21 HD13 LEU 21 -16.686 35.360 9.154
165 HD21 LEU 21 HD21 LEU 21 -17.706 36.296 6.469
166 HD22 LEU 21 HD22 LEU 21 -16.697 37.370 7.475
167 HD23 LEU 21 HD23 LEU 21 -16.268 37.059 5.767
168 H PHE 22 H PHE 22 -11.612 35.084 7.942
169 HA PHE 22 HA PHE 22 -10.981 36.750 9.849
170 HB2 PHE 22 HB2 PHE 22 -9.735 34.585 9.543
171 HB3 PHE 22 HB3 PHE 22 -8.776 35.289 8.257
172 HD1 PHE 22 HD1 PHE 22 -6.644 36.176 8.885
173 HD2 PHE 22 HD2 PHE 22 -9.793 36.183 11.825
174 HE1 PHE 22 HE1 PHE 22 -5.013 36.757 10.648
175 HE2 PHE 22 HE2 PHE 22 -8.167 36.795 13.568
176 HZ PHE 22 HZ PHE 22 -5.753 36.995 13.008
177 H ILE 23 H ILE 23 -9.121 37.047 6.705
178 HA ILE 23 HA ILE 23 -7.989 39.473 7.739
179 HB ILE 23 HB ILE 23 -6.833 38.009 6.022
180 HG12 ILE 23 HG12 ILE 23 -5.801 39.831 4.687
181 HG13 ILE 23 HG13 ILE 23 -7.091 40.964 5.154
182 HG21 ILE 23 HG21 ILE 23 -8.697 39.370 3.976
183 HG22 ILE 23 HG22 ILE 23 -7.384 38.221 3.625
184 HG23 ILE 23 HG23 ILE 23 -8.841 37.663 4.474
185 HD11 ILE 23 HD11 ILE 23 -5.201 39.594 7.178
186 HD12 ILE 23 HD12 ILE 23 -4.873 41.183 6.432
187 HD13 ILE 23 HD13 ILE 23 -6.280 40.990 7.494
188 H GLU 24 H GLU 24 -10.803 38.893 5.466
189 HA GLU 24 HA GLU 24 -10.978 41.724 4.863
190 HB2 GLU 24 HB2 GLU 24 -13.107 39.524 4.579
191 HB3 GLU 24 HB3 GLU 24 -13.358 41.231 4.145
192 HG2 GLU 24 HG2 GLU 24 -11.508 41.123 2.475
193 HG3 GLU 24 HG3 GLU 24 -11.163 39.439 2.945
194 H TRP 25 H TRP 25 -13.057 39.550 6.932
195 HA TRP 25 HA TRP 25 -14.395 41.274 8.508
196 HB2 TRP 25 HB2 TRP 25 -14.377 38.834 8.877
197 HB3 TRP 25 HB3 TRP 25 -12.679 38.861 9.435
198 HD1 TRP 25 HD1 TRP 25 -15.965 40.505 10.493
199 HE1 TRP 25 HE1 TRP 25 -16.088 40.429 13.055
200 HE3 TRP 25 HE3 TRP 25 -11.293 38.578 11.513
201 HZ2 TRP 25 HZ2 TRP 25 -14.627 39.485 15.157
202 HZ3 TRP 25 HZ3 TRP 25 -10.682 38.194 13.905
203 HH2 TRP 25 HH2 TRP 25 -12.338 38.600 15.707
204 H LEU 26 H LEU 26 -10.796 40.553 8.977
205 HA LEU 26 HA LEU 26 -10.669 42.279 11.296
206 HB2 LEU 26 HB2 LEU 26 -8.440 41.455 9.334
207 HB3 LEU 26 HB3 LEU 26 -8.189 42.560 10.698
208 HG LEU 26 HG LEU 26 -8.980 39.598 10.999
209 HD11 LEU 26 HD11 LEU 26 -6.653 39.925 10.194
210 HD12 LEU 26 HD12 LEU 26 -6.347 41.098 11.514
211 HD13 LEU 26 HD13 LEU 26 -6.665 39.388 11.895
212 HD21 LEU 26 HD21 LEU 26 -9.958 40.802 12.871
213 HD22 LEU 26 HD22 LEU 26 -8.498 39.953 13.407
214 HD23 LEU 26 HD23 LEU 26 -8.435 41.722 13.117
215 H AIB 27 H ALA 27 -9.866 42.726 7.740
216 HB11 AIB 27 H21 ALA 27 -8.525 46.532 7.614
217 HB12 AIB 27 H22 ALA 27 -8.922 45.911 9.229
218 HB13 AIB 27 H23 ALA 27 -7.870 44.953 8.157
219 HB21 AIB 27 H31 ALA 27 -8.833 44.052 5.881
220 HB22 AIB 27 H32 ALA 27 -10.594 44.125 5.608
221 HB23 AIB 27 H33 ALA 27 -9.627 45.611 5.531
222 H ALA 28 H ALA 28 -12.469 44.058 7.597
223 HA ALA 28 HA ALA 28 -13.793 46.540 7.188
224 HB1 ALA 28 H21 ALA 28 -14.772 44.060 8.767
225 HB2 ALA 28 H22 ALA 28 -15.807 45.367 8.126
226 HB3 ALA 28 H23 ALA 28 -14.936 44.286 7.003
227 H GLY 29 H GLY 29 -12.240 45.119 10.088
228 HA2 GLY 29 HA2 GLY 29 -11.977 47.143 11.734
229 HA3 GLY 29 HA3 GLY 29 -13.737 46.904 11.924
230 H GLY 30 H GLY 30 -13.602 43.887 11.458
231 HA2 GLY 30 HA2 GLY 30 -13.148 41.989 12.744
232 HA3 GLY 30 HA3 GLY 30 -12.092 42.948 13.783
233 HA PRO 31 HA PRO 31 -16.060 41.933 16.014
234 HB2 PRO 31 HB2 PRO 31 -14.517 43.321 18.273
235 HB3 PRO 31 HB3 PRO 31 -15.552 41.871 18.363
236 HG2 PRO 31 HG2 PRO 31 -12.835 41.570 18.230
237 HG3 PRO 31 HG3 PRO 31 -13.896 40.524 17.239
238 HD2 PRO 31 HD2 PRO 31 -12.301 42.981 16.292
239 HD3 PRO 31 HD3 PRO 31 -12.497 41.384 15.505
240 HA PRO 32 HA PRO 32 -16.917 46.636 17.235
241 HB2 PRO 32 HB2 PRO 32 -15.267 47.637 14.820
242 HB3 PRO 32 HB3 PRO 32 -15.731 48.566 16.284
243 HG2 PRO 32 HG2 PRO 32 -13.240 47.526 16.202
244 HG3 PRO 32 HG3 PRO 32 -14.223 47.157 17.661
245 HD2 PRO 32 HD3 PRO 32 -13.839 45.380 15.192
246 HD3 PRO 32 HD2 PRO 32 -13.585 44.959 16.932
247 H SER 33 H SER 33 -16.346 45.385 13.842
248 HA SER 33 HA SER 33 -18.552 46.755 12.681
249 HB2 SER 33 HB2 SER 33 -17.368 44.043 11.848
250 HB3 SER 33 HB3 SER 33 -18.251 45.198 10.794
251 HG SER 33 HG SER 33 -15.869 45.463 10.676
252 H AIB 34 H AIB 34 -18.706 44.149 15.041
253 HB11 AIB 34 H31 AIB 34 -21.767 44.931 15.672
254 HB12 AIB 34 H32 AIB 34 -22.257 44.619 13.986
255 HB13 AIB 34 H33 AIB 34 -22.758 43.497 15.269
256 HB21 AIB 34 H21 AIB 34 -19.432 41.949 16.018
257 HB22 AIB 34 H22 AIB 34 -20.263 43.248 16.908
258 HB23 AIB 34 H23 AIB 34 -21.188 41.851 16.290
259 H LYS 35 H LYS 35 -18.717 41.894 13.686
260 HA LYS 35 HA LYS 35 -20.601 40.243 12.029
261 HB2 LYS 35 H42 LYS 35 -17.917 41.561 11.328
262 HB3 LYS 35 H43 LYS 35 -18.612 40.230 10.358
263 HG2 LYS 35 H23 LYS 35 -20.662 41.631 9.930
264 HG3 LYS 35 H22 LYS 35 -19.968 42.946 10.918
265 HD2 LYS 35 H33 LYS 35 -18.020 43.125 9.312
266 HD3 LYS 35 H32 LYS 35 -18.725 41.813 8.326
267 HE2 LYS 35 H53 LYS 35 -20.777 43.210 7.926
268 HE3 LYS 35 H52 LYS 35 -20.083 44.524 8.913
269 HZ1 LYS 35 H71 LYS 35 -18.211 44.705 7.335
270 HZ2 LYS 35 H72 LYS 35 -18.889 43.405 6.364
271 HZ3 LYS 35 H73 LYS 35 -19.754 44.928 6.525
272 HA PRO 36 HA PRO 36 -18.729 37.295 14.536
273 HB2 PRO 36 HB2 PRO 36 -18.776 34.899 13.061
274 HB3 PRO 36 HB3 PRO 36 -20.265 35.763 13.566
275 HG2 PRO 36 HG2 PRO 36 -18.791 36.075 10.897
276 HG3 PRO 36 HG3 PRO 36 -20.504 35.597 11.107
277 HD2 PRO 36 HD2 PRO 36 -19.898 38.226 10.654
278 HD3 PRO 36 HD3 PRO 36 -21.075 37.849 11.972
279 HA PRO 37 HA PRO 37 -14.349 36.772 13.279
280 HB2 PRO 37 HB2 PRO 37 -13.410 35.215 15.335
281 HB3 PRO 37 HB3 PRO 37 -14.219 36.752 15.717
282 HG2 PRO 37 HG2 PRO 37 -15.558 34.012 15.639
283 HG3 PRO 37 HG3 PRO 37 -15.456 35.103 17.057
284 HD2 PRO 37 HD2 PRO 37 -17.640 35.179 15.364
285 HD3 PRO 37 HD3 PRO 37 -16.956 36.710 16.044
286 HA PRO 38 HA PRO 38 -14.118 33.245 10.664
287 HB2 PRO 38 HB2 PRO 38 -12.025 31.904 12.487
288 HB3 PRO 38 HB3 PRO 38 -11.996 31.993 10.699
289 HG2 PRO 38 HG2 PRO 38 -10.473 33.802 11.943
290 HG3 PRO 38 HG3 PRO 38 -11.711 34.447 10.803
291 HD2 PRO 38 HD2 PRO 38 -12.049 34.210 13.831
292 HD3 PRO 38 HD3 PRO 38 -12.273 35.699 12.818
293 H LYS 39 H LYS 39 -14.068 32.103 14.152
294 HA LYS 39 HA LYS 39 -15.193 29.571 13.678
295 HB2 LYS 39 H42 LYS 39 -15.574 31.492 16.062
296 HB3 LYS 39 H43 LYS 39 -16.365 29.900 15.998
297 HG2 LYS 39 H23 LYS 39 -14.222 28.732 15.814
298 HG3 LYS 39 H22 LYS 39 -13.319 30.277 15.781
299 HD2 LYS 39 H33 LYS 39 -14.052 30.809 18.083
300 HD3 LYS 39 H32 LYS 39 -15.120 29.383 18.117
301 HE2 LYS 39 H53 LYS 39 -13.131 27.851 17.915
302 HE3 LYS 39 H52 LYS 39 -12.046 29.263 17.853
303 HZ1 LYS 39 H71 LYS 39 -13.885 28.544 20.149
304 HZ2 LYS 39 H73 LYS 39 -12.759 29.894 20.107
305 HZ3 LYS 39 H72 LYS 39 -12.156 28.244 20.089
306 HN1 NH2 40 H11 LYS 39 -18.380 32.183 13.314
307 HN2 NH2 40 H12 LYS 39 -16.925 32.800 14.007
308 H93 EVT 101 H93 XXX 40 -20.899 15.760 8.064
309 H92 EVT 101 H92 XXX 40 -19.740 14.478 8.471
310 H103 EVT 101 H103 XXX 40 -21.188 16.305 10.509
311 H102 EVT 101 H102 XXX 40 -21.576 14.601 10.170
312 H11 EVT 101 H11 XXX 40 -18.978 15.703 11.391
313 H122 EVT 101 H122 XXX 40 -17.661 11.872 9.436
314 H123 EVT 101 H123 XXX 40 -16.087 12.259 10.170
315 H133 EVT 101 H133 XXX 40 -17.032 10.121 11.028
316 H132 EVT 101 H132 XXX 40 -18.477 10.971 11.639
317 H143 EVT 101 H143 XXX 40 -17.014 12.346 13.170
318 H142 EVT 101 H142 XXX 40 -15.580 11.473 12.571
319 H153 EVT 101 H153 XXX 40 -16.601 9.295 13.388
320 H152 EVT 101 H152 XXX 40 -17.994 10.208 14.022
321 H6 EVT 101 H6 XXX 40 -20.310 18.065 8.947
322 H163 EVT 101 H163 XXX 40 -16.431 11.475 15.561
323 H162 EVT 101 H162 XXX 40 -15.061 10.555 14.884
324 H173 EVT 101 H173 XXX 40 -16.139 8.400 15.684
325 H172 EVT 101 H172 XXX 40 -17.499 9.340 16.343
326 H183 EVT 101 H183 XXX 40 -15.974 8.661 18.133
327 H182 EVT 101 H182 XXX 40 -15.981 10.440 18.004
328 H193 EVT 101 H193 XXX 40 -13.800 10.434 16.873
329 H192 EVT 101 H192 XXX 40 -13.856 8.660 16.665
330 H203 EVT 101 H203 XXX 40 -13.702 8.399 19.172
331 H202 EVT 101 H202 XXX 40 -13.649 10.171 19.352
332 H213 EVT 101 H213 XXX 40 -11.536 10.210 17.922
333 H212 EVT 101 H212 XXX 40 -11.608 8.432 17.810
334 H223 EVT 101 H223 XXX 40 -11.414 8.305 20.327
335 H222 EVT 101 H222 XXX 40 -11.250 10.082 20.383
336 H25 EVT 101 H25 XXX 40 -19.681 12.884 10.583
337 H293 EVT 101 H293 XXX 40 -9.256 9.894 18.814
338 H292 EVT 101 H292 XXX 40 -9.348 8.119 18.939
339 H303 EVT 101 H303 XXX 40 -8.840 10.031 21.309
340 H302 EVT 101 H302 XXX 40 -7.602 9.058 20.466
341 H313 EVT 101 H313 XXX 40 -8.777 6.955 21.183
342 H312 EVT 101 H312 XXX 40 -9.936 7.937 22.119
343 H321 EVT 101 H321 XXX 40 -6.874 7.883 22.568
344 H323 EVT 101 H323 XXX 40 -8.100 7.112 23.605
345 H322 EVT 101 H322 XXX 40 -8.032 8.891 23.481
346 H353 EVT 101 H353 XXX 40 -18.834 20.165 6.437
347 H352 EVT 101 H352 XXX 40 -20.406 19.701 7.124
348 H363 EVT 101 H363 XXX 40 -19.639 20.442 9.410
349 H362 EVT 101 H362 XXX 40 -18.096 20.990 8.723
350 H37 EVT 101 H37 XXX 40 -17.633 18.602 7.974
Start of MODEL 9
1 H1 HIS 1 H1 HIS 1 -16.109 4.128 -4.344
2 H2 HIS 1 H2 HIS 1 -15.895 5.735 -4.940
3 H3 HIS 1 H3 HIS 1 -14.960 5.201 -3.572
4 HA HIS 1 HA HIS 1 -17.975 5.521 -3.611
5 HB2 HIS 1 HB2 HIS 1 -16.049 5.026 -1.240
6 HB3 HIS 1 HB3 HIS 1 -17.802 5.294 -1.117
7 HD1 HIS 1 HD1 HIS 1 -15.320 2.739 -2.276
8 HD2 HIS 1 HD2 HIS 1 -19.460 3.253 -1.745
9 HE1 HIS 1 HE1 HIS 1 -16.325 0.436 -2.519
10 H AIB 2 H AIB 2 -18.643 7.384 -2.018
11 HB11 AIB 2 H31 AIB 2 -18.552 10.770 -0.667
12 HB12 AIB 2 H32 AIB 2 -19.699 9.599 -1.379
13 HB13 AIB 2 H33 AIB 2 -18.675 9.121 0.002
14 HB21 AIB 2 H21 AIB 2 -17.700 11.138 -3.061
15 HB22 AIB 2 H22 AIB 2 -16.914 9.819 -3.965
16 HB23 AIB 2 H23 AIB 2 -18.684 9.817 -3.749
17 H GLN 3 H GLN 3 -16.456 7.823 -0.037
18 HA GLN 3 HA GLN 3 -14.546 8.102 1.268
19 HB2 GLN 3 H42 GLN 3 -13.436 9.177 -1.391
20 HB3 GLN 3 H43 GLN 3 -12.455 8.781 0.042
21 HG2 GLN 3 H32 GLN 3 -13.101 6.398 -0.074
22 HG3 GLN 3 H33 GLN 3 -14.271 6.740 -1.367
23 HE21 GLN 3 H61 GLN 3 -10.198 6.789 -2.253
24 HE22 GLN 3 H62 GLN 3 -10.682 7.081 -0.622
25 H GLY 4 H GLY 4 -16.467 9.920 1.873
26 HA2 GLY 4 HA2 GLY 4 -16.746 12.033 2.818
27 HA3 GLY 4 HA3 GLY 4 -15.026 11.833 3.257
28 H THR 5 H THR 5 -16.193 12.111 -0.183
29 HA THR 5 HA THR 5 -14.459 14.405 -0.561
30 HB THR 5 HB THR 5 -16.720 13.292 -2.330
31 HG1 THR 5 HG1 THR 5 -14.698 12.000 -2.176
32 HG21 THR 5 HG21 THR 5 -14.665 15.507 -2.921
33 HG22 THR 5 HG22 THR 5 -15.701 14.712 -4.144
34 HG23 THR 5 HG23 THR 5 -16.448 15.700 -2.860
35 H PHE 6 H PHE 6 -18.035 13.899 0.057
36 HA PHE 6 HA PHE 6 -18.720 16.623 -0.416
37 HB2 PHE 6 HB2 PHE 6 -20.549 15.039 -0.309
38 HB3 PHE 6 HB3 PHE 6 -20.062 14.439 1.281
39 HD1 PHE 6 HD1 PHE 6 -20.996 15.415 3.260
40 HD2 PHE 6 HD2 PHE 6 -21.127 17.643 -0.418
41 HE1 PHE 6 HE1 PHE 6 -22.563 17.016 4.286
42 HE2 PHE 6 HE2 PHE 6 -22.600 19.314 0.657
43 HZ PHE 6 HZ PHE 6 -23.373 18.972 2.992
44 H THR 7 H THR 7 -18.039 14.907 2.781
45 HA THR 7 HA THR 7 -18.298 17.357 4.199
46 HB THR 7 HB THR 7 -18.342 15.090 5.297
47 HG1 THR 7 HG1 THR 7 -16.628 17.080 6.421
48 HG21 THR 7 HG21 THR 7 -16.222 14.124 4.248
49 HG22 THR 7 HG22 THR 7 -15.250 15.310 5.167
50 HG23 THR 7 HG23 THR 7 -16.196 14.070 6.031
51 H SER 8 H SER 8 -15.448 15.845 2.483
52 HA SER 8 HA SER 8 -13.537 17.652 3.605
53 HB2 SER 8 HB2 SER 8 -12.858 15.647 2.272
54 HB3 SER 8 HB3 SER 8 -13.510 16.399 0.784
55 HG SER 8 HG SER 8 -11.890 18.119 1.183
56 H ASP 9 H ASP 9 -15.834 17.884 0.753
57 HA ASP 9 HA ASP 9 -14.779 20.363 -0.154
58 HB2 ASP 9 HB2 ASP 9 -17.712 19.416 -0.354
59 HB3 ASP 9 HB3 ASP 9 -16.950 20.711 -1.313
60 H LEU 10 H LEU 10 -17.394 19.532 2.318
61 HA LEU 10 HA LEU 10 -18.045 22.214 2.861
62 HB2 LEU 10 HB2 LEU 10 -17.831 19.937 4.895
63 HB3 LEU 10 HB3 LEU 10 -18.527 21.539 5.238
64 HG LEU 10 HG LEU 10 -19.664 19.472 3.241
65 HD11 LEU 10 HD11 LEU 10 -20.564 20.324 6.065
66 HD12 LEU 10 HD12 LEU 10 -21.452 19.206 5.001
67 HD13 LEU 10 HD13 LEU 10 -19.856 18.741 5.641
68 HD21 LEU 10 HD21 LEU 10 -20.793 22.173 4.210
69 HD22 LEU 10 HD22 LEU 10 -20.314 21.796 2.527
70 HD23 LEU 10 HD23 LEU 10 -21.697 20.966 3.258
71 H SER 11 H SER 11 -15.411 20.151 4.458
72 HA SER 11 HA SER 11 -14.457 22.210 6.083
73 HB2 SER 11 HB2 SER 11 -12.813 20.043 4.621
74 HB3 SER 11 HB3 SER 11 -12.209 21.042 5.964
75 HG SER 11 HG SER 11 -13.919 20.070 7.267
76 H LYS 12 H LYS 12 -13.804 21.671 2.544
77 HA LYS 12 HA LYS 12 -11.714 23.712 2.498
78 HB2 LYS 12 HB2 LYS 12 -13.486 22.647 0.206
79 HB3 LYS 12 HB3 LYS 12 -12.154 23.811 0.008
80 HG2 LYS 12 HG2 LYS 12 -10.516 22.165 0.873
81 HG3 LYS 12 HG3 LYS 12 -11.805 20.969 1.152
82 HD2 LYS 12 HD2 LYS 12 -12.321 20.906 -1.293
83 HD3 LYS 12 HD3 LYS 12 -11.099 22.171 -1.604
84 HE2 LYS 12 HE2 LYS 12 -9.284 20.652 -0.785
85 HE3 LYS 12 HE3 LYS 12 -10.487 19.385 -0.434
86 HZ1 LYS 12 HZ1 LYS 12 -9.897 20.546 -3.176
87 HZ2 LYS 12 HZ2 LYS 12 -9.378 18.994 -2.588
88 HZ3 LYS 12 HZ3 LYS 12 -11.076 19.299 -2.829
89 H GLN 13 H GLN 13 -15.257 23.615 1.797
90 HA GLN 13 HA GLN 13 -15.473 26.285 0.863
91 HB2 GLN 13 HB2 GLN 13 -17.493 24.478 2.289
92 HB3 GLN 13 HB3 GLN 13 -17.944 26.039 1.582
93 HG2 GLN 13 HG2 GLN 13 -17.484 25.310 -0.666
94 HG3 GLN 13 HG3 GLN 13 -16.609 23.874 -0.159
95 HE21 GLN 13 HE21 GLN 13 -20.762 23.860 0.033
96 HE22 GLN 13 HE22 GLN 13 -19.947 25.380 0.020
97 H LYS 14 H LYS 14 -15.706 24.880 4.244
98 HA LYS 14 HA LYS 14 -16.377 27.454 5.378
99 HB2 LYS 14 HB2 LYS 14 -15.087 25.107 6.899
100 HB3 LYS 14 HB3 LYS 14 -15.881 26.549 7.566
101 HG2 LYS 14 HG2 LYS 14 -18.046 25.716 6.351
102 HG3 LYS 14 HG3 LYS 14 -17.162 24.202 6.053
103 HD2 LYS 14 HD2 LYS 14 -16.662 24.275 8.688
104 HD3 LYS 14 HD3 LYS 14 -17.999 25.448 8.700
105 HE2 LYS 14 HE2 LYS 14 -19.024 23.350 9.179
106 HE3 LYS 14 HE3 LYS 14 -19.385 23.554 7.440
107 HZ1 LYS 14 HZ1 LYS 14 -16.979 22.155 7.486
108 H ASP 15 H ASP 15 -13.332 25.409 5.328
109 HA ASP 15 HA ASP 15 -11.816 27.041 6.898
110 HB2 ASP 15 H32 ASP 15 -11.009 24.842 6.028
111 HB3 ASP 15 H33 ASP 15 -10.786 25.543 4.409
112 H GLU 16 H GLU 16 -11.912 27.346 3.230
113 HA GLU 16 HA GLU 16 -10.145 29.633 3.372
114 HB2 GLU 16 HB2 GLU 16 -11.998 28.814 1.068
115 HB3 GLU 16 HB3 GLU 16 -10.744 30.081 1.009
116 HG2 GLU 16 HG2 GLU 16 -9.005 28.298 1.645
117 HG3 GLU 16 HG3 GLU 16 -10.266 27.063 1.398
118 H GLN 17 H GLN 17 -13.746 29.292 3.569
119 HA GLN 17 HA GLN 17 -14.139 32.125 3.147
120 HB2 GLN 17 H42 GLN 17 -15.915 30.448 2.824
121 HB3 GLN 17 H43 GLN 17 -15.960 30.121 4.575
122 HG2 GLN 17 H32 GLN 17 -16.782 32.407 5.036
123 HG3 GLN 17 H33 GLN 17 -16.385 32.946 3.395
124 HE21 GLN 17 H61 GLN 17 -19.693 30.447 3.756
125 HE22 GLN 17 H62 GLN 17 -18.355 30.155 4.807
126 H ARG 18 H ARG 18 -13.576 30.027 6.054
127 HA ARG 18 HA ARG 18 -14.047 32.054 8.025
128 HB2 ARG 18 H42 ARG 18 -12.274 29.548 8.010
129 HB3 ARG 18 H43 ARG 18 -12.496 30.554 9.448
130 HG2 ARG 18 H33 ARG 18 -14.860 30.100 9.587
131 HG3 ARG 18 H32 ARG 18 -14.909 29.304 7.997
132 HD2 ARG 18 H52 ARG 18 -13.504 27.476 8.763
133 HD3 ARG 18 H53 ARG 18 -13.286 28.258 10.373
134 HE ARG 18 H10 ARG 18 -16.075 27.938 9.947
135 HH11 ARG 18 H71 ARG 18 -17.159 26.236 10.950
136 HH12 ARG 18 H72 ARG 18 -16.319 24.809 11.439
137 HH21 ARG 18 H81 ARG 18 -13.168 25.906 10.388
138 HH22 ARG 18 H82 ARG 18 -14.080 24.609 11.138
139 H ALA 19 H ALA 19 -11.217 31.349 5.932
140 HA ALA 19 HA ALA 19 -9.475 33.130 7.513
141 HB1 ALA 19 H21 ALA 19 -7.739 32.529 5.818
142 HB2 ALA 19 H22 ALA 19 -8.483 31.084 6.560
143 HB3 ALA 19 H23 ALA 19 -8.947 31.582 4.907
144 H LYS 20 H LYS 20 -10.943 32.974 4.148
145 HA LYS 20 HA LYS 20 -10.075 35.528 3.315
146 HB2 LYS 20 H42 LYS 20 -11.281 33.910 1.824
147 HB3 LYS 20 H43 LYS 20 -12.767 34.136 2.781
148 HG2 LYS 20 H23 LYS 20 -12.857 36.558 2.061
149 HG3 LYS 20 H22 LYS 20 -11.306 36.353 1.221
150 HD2 LYS 20 H33 LYS 20 -12.996 36.254 -0.483
151 HD3 LYS 20 H32 LYS 20 -12.400 34.594 -0.276
152 HE2 LYS 20 H53 LYS 20 -14.473 34.116 1.164
153 HE3 LYS 20 H52 LYS 20 -15.003 35.787 0.872
154 HZ1 LYS 20 H71 LYS 20 -16.103 34.220 -0.646
155 HZ2 LYS 20 H72 LYS 20 -15.058 35.311 -1.547
156 HZ3 LYS 20 H73 LYS 20 -14.542 33.657 -1.233
157 H LEU 21 H LEU 21 -12.838 34.467 5.466
158 HA LEU 21 HA LEU 21 -13.762 37.131 5.966
159 HB2 LEU 21 HB2 LEU 21 -13.787 34.643 7.758
160 HB3 LEU 21 HB3 LEU 21 -14.274 36.243 8.348
161 HG LEU 21 HG LEU 21 -15.680 34.771 6.060
162 HD11 LEU 21 HD11 LEU 21 -17.439 34.350 7.769
163 HD12 LEU 21 HD12 LEU 21 -15.907 33.642 8.330
164 HD13 LEU 21 HD13 LEU 21 -16.474 35.183 9.017
165 HD21 LEU 21 HD21 LEU 21 -17.507 36.491 6.562
166 HD22 LEU 21 HD22 LEU 21 -16.336 37.360 7.587
167 HD23 LEU 21 HD23 LEU 21 -16.072 37.238 5.832
168 H PHE 22 H PHE 22 -11.491 35.039 8.065
169 HA PHE 22 HA PHE 22 -10.841 36.753 9.910
170 HB2 PHE 22 HB2 PHE 22 -9.502 34.690 9.715
171 HB3 PHE 22 HB3 PHE 22 -8.721 35.267 8.261
172 HD1 PHE 22 HD1 PHE 22 -6.682 36.504 8.364
173 HD2 PHE 22 HD2 PHE 22 -9.204 36.400 11.840
174 HE1 PHE 22 HE1 PHE 22 -4.830 37.386 9.732
175 HE2 PHE 22 HE2 PHE 22 -7.330 37.253 13.216
176 HZ PHE 22 HZ PHE 22 -5.113 37.662 12.181
177 H ILE 23 H ILE 23 -9.067 37.064 6.750
178 HA ILE 23 HA ILE 23 -7.970 39.548 7.719
179 HB ILE 23 HB ILE 23 -6.826 37.931 6.091
180 HG12 ILE 23 HG12 ILE 23 -5.714 39.698 4.696
181 HG13 ILE 23 HG13 ILE 23 -6.909 40.885 5.268
182 HG21 ILE 23 HG21 ILE 23 -8.769 37.614 4.513
183 HG22 ILE 23 HG22 ILE 23 -8.610 39.310 3.985
184 HG23 ILE 23 HG23 ILE 23 -7.304 38.144 3.665
185 HD11 ILE 23 HD11 ILE 23 -5.043 39.286 7.145
186 HD12 ILE 23 HD12 ILE 23 -4.630 40.888 6.469
187 HD13 ILE 23 HD13 ILE 23 -6.006 40.730 7.580
188 H GLU 24 H GLU 24 -10.765 38.834 5.475
189 HA GLU 24 HA GLU 24 -11.056 41.657 4.797
190 HB2 GLU 24 HB2 GLU 24 -13.084 39.355 4.626
191 HB3 GLU 24 HB3 GLU 24 -13.395 41.040 4.134
192 HG2 GLU 24 HG2 GLU 24 -11.626 40.911 2.399
193 HG3 GLU 24 HG3 GLU 24 -11.167 39.280 2.949
194 H TRP 25 H TRP 25 -12.931 39.394 6.968
195 HA TRP 25 HA TRP 25 -14.413 41.112 8.483
196 HB2 TRP 25 HB2 TRP 25 -14.334 38.694 8.883
197 HB3 TRP 25 HB3 TRP 25 -12.629 38.764 9.401
198 HD1 TRP 25 HD1 TRP 25 -15.993 40.243 10.546
199 HE1 TRP 25 HE1 TRP 25 -16.024 40.265 13.099
200 HE3 TRP 25 HE3 TRP 25 -11.179 38.639 11.469
201 HZ2 TRP 25 HZ2 TRP 25 -14.436 39.514 15.184
202 HZ3 TRP 25 HZ3 TRP 25 -10.480 38.359 13.850
203 HH2 TRP 25 HH2 TRP 25 -12.105 38.733 15.686
204 H LEU 26 H LEU 26 -10.795 40.553 8.954
205 HA LEU 26 HA LEU 26 -10.746 42.404 11.173
206 HB2 LEU 26 HB2 LEU 26 -8.467 41.616 9.258
207 HB3 LEU 26 HB3 LEU 26 -8.295 42.787 10.589
208 HG LEU 26 HG LEU 26 -8.877 39.791 10.964
209 HD11 LEU 26 HD11 LEU 26 -6.545 40.274 10.277
210 HD12 LEU 26 HD12 LEU 26 -6.411 41.535 11.537
211 HD13 LEU 26 HD13 LEU 26 -6.598 39.833 12.004
212 HD21 LEU 26 HD21 LEU 26 -10.046 40.963 12.784
213 HD22 LEU 26 HD22 LEU 26 -8.538 40.260 13.384
214 HD23 LEU 26 HD23 LEU 26 -8.620 42.017 13.039
215 H AIB 27 H ALA 27 -10.045 42.709 7.571
216 HB11 AIB 27 H21 ALA 27 -8.092 44.947 7.634
217 HB12 AIB 27 H22 ALA 27 -8.868 46.513 7.230
218 HB13 AIB 27 H23 ALA 27 -9.007 45.832 8.868
219 HB21 AIB 27 H31 ALA 27 -9.322 43.932 5.573
220 HB22 AIB 27 H32 ALA 27 -11.087 44.115 5.408
221 HB23 AIB 27 H33 ALA 27 -10.035 45.532 5.254
222 H ALA 28 H ALA 28 -12.728 43.988 7.628
223 HA ALA 28 HA ALA 28 -14.090 46.475 7.287
224 HB1 ALA 28 H21 ALA 28 -14.938 43.945 8.810
225 HB2 ALA 28 H22 ALA 28 -16.047 45.267 8.351
226 HB3 ALA 28 H23 ALA 28 -15.262 44.272 7.093
227 H GLY 29 H GLY 29 -12.351 45.130 10.112
228 HA2 GLY 29 HA2 GLY 29 -11.977 47.089 11.725
229 HA3 GLY 29 HA3 GLY 29 -13.732 47.013 11.943
230 H GLY 30 H GLY 30 -13.458 43.814 11.542
231 HA2 GLY 30 HA2 GLY 30 -13.174 42.051 13.031
232 HA3 GLY 30 HA3 GLY 30 -12.159 43.084 14.026
233 HA PRO 31 HA PRO 31 -16.225 42.025 16.028
234 HB2 PRO 31 HB2 PRO 31 -14.824 43.247 18.449
235 HB3 PRO 31 HB3 PRO 31 -15.843 41.788 18.375
236 HG2 PRO 31 HG2 PRO 31 -13.107 41.561 18.421
237 HG3 PRO 31 HG3 PRO 31 -14.088 40.515 17.346
238 HD2 PRO 31 HD2 PRO 31 -12.462 42.989 16.525
239 HD3 PRO 31 HD3 PRO 31 -12.680 41.429 15.672
240 HA PRO 32 HA PRO 32 -17.099 46.645 17.505
241 HB2 PRO 32 HB2 PRO 32 -15.320 47.764 15.261
242 HB3 PRO 32 HB3 PRO 32 -15.842 48.610 16.752
243 HG2 PRO 32 HG2 PRO 32 -13.362 47.543 16.776
244 HG3 PRO 32 HG3 PRO 32 -14.442 47.054 18.110
245 HD2 PRO 32 HD3 PRO 32 -13.934 45.483 15.513
246 HD3 PRO 32 HD2 PRO 32 -13.776 44.915 17.221
247 H SER 33 H SER 33 -16.432 45.484 14.117
248 HA SER 33 HA SER 33 -18.532 46.917 12.850
249 HB2 SER 33 HB2 SER 33 -17.528 44.108 12.184
250 HB3 SER 33 HB3 SER 33 -18.227 45.295 11.049
251 HG SER 33 HG SER 33 -15.822 45.303 11.049
252 H AIB 34 H AIB 34 -18.736 44.174 15.115
253 HB11 AIB 34 H31 AIB 34 -21.854 45.041 15.722
254 HB12 AIB 34 H32 AIB 34 -22.373 44.656 14.065
255 HB13 AIB 34 H33 AIB 34 -22.832 43.588 15.391
256 HB21 AIB 34 H21 AIB 34 -19.508 42.064 16.142
257 HB22 AIB 34 H22 AIB 34 -20.401 43.334 17.011
258 HB23 AIB 34 H23 AIB 34 -21.271 41.927 16.339
259 H LYS 35 H LYS 35 -18.761 41.966 13.848
260 HA LYS 35 HA LYS 35 -20.628 40.307 12.223
261 HB2 LYS 35 H42 LYS 35 -17.930 41.517 11.414
262 HB3 LYS 35 H43 LYS 35 -18.825 40.307 10.464
263 HG2 LYS 35 H23 LYS 35 -20.741 41.932 10.230
264 HG3 LYS 35 H22 LYS 35 -19.826 43.146 11.157
265 HD2 LYS 35 H33 LYS 35 -18.063 43.233 9.395
266 HD3 LYS 35 H32 LYS 35 -18.824 41.859 8.557
267 HE2 LYS 35 H53 LYS 35 -19.429 43.752 7.272
268 HE3 LYS 35 H52 LYS 35 -20.903 43.298 8.163
269 HZ1 LYS 35 H71 LYS 35 -20.389 45.111 9.782
270 HZ2 LYS 35 H72 LYS 35 -18.983 45.545 8.815
271 HZ3 LYS 35 H73 LYS 35 -20.594 45.696 8.142
272 HA PRO 36 HA PRO 36 -18.628 37.518 14.902
273 HB2 PRO 36 HB2 PRO 36 -18.824 35.019 13.627
274 HB3 PRO 36 HB3 PRO 36 -20.239 35.944 14.211
275 HG2 PRO 36 HG2 PRO 36 -19.041 36.015 11.401
276 HG3 PRO 36 HG3 PRO 36 -20.735 35.605 11.824
277 HD2 PRO 36 HD2 PRO 36 -20.147 38.169 11.083
278 HD3 PRO 36 HD3 PRO 36 -21.178 37.919 12.546
279 HA PRO 37 HA PRO 37 -14.357 36.913 13.572
280 HB2 PRO 37 HB2 PRO 37 -13.355 35.308 15.604
281 HB3 PRO 37 HB3 PRO 37 -14.122 36.878 15.967
282 HG2 PRO 37 HG2 PRO 37 -15.517 34.143 15.944
283 HG3 PRO 37 HG3 PRO 37 -15.349 35.227 17.365
284 HD2 PRO 37 HD2 PRO 37 -17.597 35.340 15.756
285 HD3 PRO 37 HD3 PRO 37 -16.844 36.868 16.373
286 HA PRO 38 HA PRO 38 -13.998 33.285 10.977
287 HB2 PRO 38 HB2 PRO 38 -11.728 32.298 12.829
288 HB3 PRO 38 HB3 PRO 38 -11.791 32.221 11.040
289 HG2 PRO 38 HG2 PRO 38 -10.409 34.245 12.069
290 HG3 PRO 38 HG3 PRO 38 -11.708 34.676 10.901
291 HD2 PRO 38 HD2 PRO 38 -11.889 34.697 13.957
292 HD3 PRO 38 HD3 PRO 38 -12.285 36.060 12.840
293 H LYS 39 H LYS 39 -13.764 32.586 14.559
294 HA LYS 39 HA LYS 39 -15.397 30.091 14.156
295 HB2 LYS 39 H42 LYS 39 -13.985 31.232 16.634
296 HB3 LYS 39 H43 LYS 39 -14.857 29.680 16.549
297 HG2 LYS 39 H23 LYS 39 -13.237 28.859 14.806
298 HG3 LYS 39 H22 LYS 39 -12.346 30.402 14.915
299 HD2 LYS 39 H33 LYS 39 -11.911 29.950 17.373
300 HD3 LYS 39 H32 LYS 39 -12.746 28.378 17.209
301 HE2 LYS 39 H53 LYS 39 -11.041 27.687 15.458
302 HE3 LYS 39 H52 LYS 39 -10.193 29.237 15.703
303 HZ1 LYS 39 H71 LYS 39 -9.146 27.443 16.985
304 HZ2 LYS 39 H73 LYS 39 -10.670 27.075 17.780
305 HZ3 LYS 39 H72 LYS 39 -9.866 28.608 18.088
306 HN1 NH2 40 H11 LYS 39 -17.933 32.784 14.659
307 HN2 NH2 40 H12 LYS 39 -16.858 32.360 13.386
308 H93 EVT 101 H93 XXX 40 -17.836 14.751 8.953
309 H92 EVT 101 H92 XXX 40 -16.347 13.830 8.647
310 H103 EVT 101 H103 XXX 40 -17.284 15.010 11.334
311 H102 EVT 101 H102 XXX 40 -16.970 13.307 10.918
312 H11 EVT 101 H11 XXX 40 -14.942 15.582 11.290
313 H122 EVT 101 H122 XXX 40 -12.867 13.029 8.192
314 H123 EVT 101 H123 XXX 40 -11.612 14.287 8.317
315 H133 EVT 101 H133 XXX 40 -10.744 12.075 9.118
316 H132 EVT 101 H132 XXX 40 -12.049 11.985 10.330
317 H143 EVT 101 H143 XXX 40 -11.154 14.102 11.417
318 H142 EVT 101 H142 XXX 40 -9.830 14.133 10.216
319 H153 EVT 101 H153 XXX 40 -9.061 11.869 11.063
320 H152 EVT 101 H152 XXX 40 -10.384 11.887 12.265
321 H6 EVT 101 H6 XXX 40 -17.308 17.149 9.969
322 H163 EVT 101 H163 XXX 40 -9.420 14.020 13.255
323 H162 EVT 101 H162 XXX 40 -8.057 13.905 12.104
324 H173 EVT 101 H173 XXX 40 -7.460 11.643 13.086
325 H172 EVT 101 H172 XXX 40 -8.803 11.812 14.254
326 H183 EVT 101 H183 XXX 40 -7.712 13.923 15.155
327 H182 EVT 101 H182 XXX 40 -6.346 13.662 14.034
328 H193 EVT 101 H193 XXX 40 -5.918 11.412 15.138
329 H192 EVT 101 H192 XXX 40 -7.257 11.738 16.273
330 H203 EVT 101 H203 XXX 40 -6.019 13.804 17.087
331 H202 EVT 101 H202 XXX 40 -4.672 13.400 15.986
332 H213 EVT 101 H213 XXX 40 -4.400 11.178 17.180
333 H212 EVT 101 H212 XXX 40 -5.702 11.650 18.307
334 H223 EVT 101 H223 XXX 40 -4.329 13.656 19.006
335 H222 EVT 101 H222 XXX 40 -3.008 13.118 17.927
336 H25 EVT 101 H25 XXX 40 -14.415 12.819 10.202
337 H293 EVT 101 H293 XXX 40 -2.956 10.903 19.223
338 H292 EVT 101 H292 XXX 40 -4.108 11.610 20.386
339 H303 EVT 101 H303 XXX 40 -1.261 12.636 19.755
340 H302 EVT 101 H302 XXX 40 -1.756 11.716 21.197
341 H313 EVT 101 H313 XXX 40 -3.320 13.626 21.842
342 H312 EVT 101 H312 XXX 40 -2.675 14.574 20.470
343 H321 EVT 101 H321 XXX 40 -1.008 13.512 22.839
344 H323 EVT 101 H323 XXX 40 -1.515 15.205 22.570
345 H322 EVT 101 H322 XXX 40 -0.363 14.427 21.441
346 H353 EVT 101 H353 XXX 40 -17.150 19.682 7.133
347 H352 EVT 101 H352 XXX 40 -18.329 18.805 8.143
348 H363 EVT 101 H363 XXX 40 -17.122 19.641 10.219
349 H362 EVT 101 H362 XXX 40 -15.961 20.502 9.175
350 H37 EVT 101 H37 XXX 40 -15.304 18.319 8.130
Start of MODEL 10
1 H1 HIS 1 H1 HIS 1 -9.209 5.453 -3.364
2 H2 HIS 1 H2 HIS 1 -8.339 5.165 -1.887
3 H3 HIS 1 H3 HIS 1 -9.103 3.847 -2.723
4 HA HIS 1 HA HIS 1 -11.310 4.806 -2.295
5 HB2 HIS 1 HB2 HIS 1 -9.582 4.534 0.234
6 HB3 HIS 1 HB3 HIS 1 -11.352 4.705 0.258
7 HD1 HIS 1 HD1 HIS 1 -8.669 2.291 -0.726
8 HD2 HIS 1 HD2 HIS 1 -12.856 2.589 -0.536
9 HE1 HIS 1 HE1 HIS 1 -9.537 -0.062 -1.053
10 H AIB 2 H AIB 2 -12.659 6.565 -1.428
11 HB11 AIB 2 H31 AIB 2 -13.671 9.995 -0.728
12 HB12 AIB 2 H32 AIB 2 -14.138 8.628 -1.774
13 HB13 AIB 2 H33 AIB 2 -13.926 8.383 -0.025
14 HB21 AIB 2 H21 AIB 2 -12.150 8.822 -3.316
15 HB22 AIB 2 H22 AIB 2 -11.777 10.336 -2.463
16 HB23 AIB 2 H23 AIB 2 -10.518 9.108 -2.674
17 H GLN 3 H GLN 3 -12.024 7.666 1.294
18 HA GLN 3 HA GLN 3 -11.185 8.459 3.318
19 HB2 GLN 3 H42 GLN 3 -8.728 8.836 1.526
20 HB3 GLN 3 H43 GLN 3 -8.719 8.925 3.307
21 HG2 GLN 3 H32 GLN 3 -9.596 6.563 3.437
22 HG3 GLN 3 H33 GLN 3 -9.544 6.469 1.662
23 HE21 GLN 3 H61 GLN 3 -6.013 6.479 3.899
24 HE22 GLN 3 H62 GLN 3 -7.431 7.176 4.583
25 H GLY 4 H GLY 4 -12.936 10.266 2.399
26 HA2 GLY 4 HA2 GLY 4 -13.380 12.386 3.328
27 HA3 GLY 4 HA3 GLY 4 -11.668 12.755 3.432
28 H THR 5 H THR 5 -14.469 13.382 1.518
29 HA THR 5 HA THR 5 -12.710 14.804 -0.383
30 HB THR 5 HB THR 5 -14.809 12.843 -1.408
31 HG1 THR 5 HG1 THR 5 -11.957 12.650 -1.415
32 HG21 THR 5 HG21 THR 5 -12.715 14.553 -2.906
33 HG22 THR 5 HG22 THR 5 -13.879 13.427 -3.647
34 HG23 THR 5 HG23 THR 5 -14.461 14.918 -2.855
35 H PHE 6 H PHE 6 -16.311 14.029 0.043
36 HA PHE 6 HA PHE 6 -17.013 16.802 -0.437
37 HB2 PHE 6 HB2 PHE 6 -18.862 15.288 -0.663
38 HB3 PHE 6 HB3 PHE 6 -18.505 14.466 0.866
39 HD1 PHE 6 HD1 PHE 6 -19.656 17.758 -0.549
40 HD2 PHE 6 HD2 PHE 6 -19.373 15.289 2.964
41 HE1 PHE 6 HE1 PHE 6 -21.188 19.287 0.658
42 HE2 PHE 6 HE2 PHE 6 -20.946 16.777 4.138
43 HZ PHE 6 HZ PHE 6 -21.840 18.797 3.000
44 H THR 7 H THR 7 -16.688 14.828 2.652
45 HA THR 7 HA THR 7 -17.042 17.134 4.264
46 HB THR 7 HB THR 7 -17.197 14.778 5.137
47 HG1 THR 7 HG1 THR 7 -15.534 16.598 6.591
48 HG21 THR 7 HG21 THR 7 -15.002 13.925 4.138
49 HG22 THR 7 HG22 THR 7 -14.107 14.930 5.315
50 HG23 THR 7 HG23 THR 7 -15.158 13.605 5.882
51 H SER 8 H SER 8 -14.073 15.740 2.647
52 HA SER 8 HA SER 8 -12.238 17.403 4.079
53 HB2 SER 8 HB2 SER 8 -11.446 15.568 2.551
54 HB3 SER 8 HB3 SER 8 -12.067 16.495 1.147
55 HG SER 8 HG SER 8 -9.788 16.981 1.563
56 H ASP 9 H ASP 9 -14.238 17.915 1.024
57 HA ASP 9 HA ASP 9 -13.129 20.534 0.650
58 HB2 ASP 9 HB2 ASP 9 -15.822 19.397 -0.343
59 HB3 ASP 9 HB3 ASP 9 -15.108 20.940 -0.882
60 H LEU 10 H LEU 10 -15.857 19.338 2.788
61 HA LEU 10 HA LEU 10 -16.648 22.042 3.412
62 HB2 LEU 10 HB2 LEU 10 -16.542 19.632 5.321
63 HB3 LEU 10 HB3 LEU 10 -17.251 21.213 5.711
64 HG LEU 10 HG LEU 10 -18.291 19.319 3.515
65 HD11 LEU 10 HD11 LEU 10 -18.574 18.353 5.819
66 HD12 LEU 10 HD12 LEU 10 -19.306 19.878 6.385
67 HD13 LEU 10 HD13 LEU 10 -20.142 18.884 5.163
68 HD21 LEU 10 HD21 LEU 10 -19.489 21.897 4.712
69 HD22 LEU 10 HD22 LEU 10 -18.907 21.701 3.034
70 HD23 LEU 10 HD23 LEU 10 -20.329 20.795 3.589
71 H SER 11 H SER 11 -14.120 19.785 4.874
72 HA SER 11 HA SER 11 -13.259 21.614 6.788
73 HB2 SER 11 HB2 SER 11 -11.443 19.648 5.255
74 HB3 SER 11 HB3 SER 11 -11.030 20.528 6.740
75 HG SER 11 HG SER 11 -13.128 18.584 6.581
76 H LYS 12 H LYS 12 -12.420 21.490 3.259
77 HA LYS 12 HA LYS 12 -10.371 23.583 3.696
78 HB2 LYS 12 HB2 LYS 12 -11.365 22.515 1.006
79 HB3 LYS 12 HB3 LYS 12 -9.880 23.429 1.354
80 HG2 LYS 12 HG2 LYS 12 -10.489 20.481 1.931
81 HG3 LYS 12 HG3 LYS 12 -9.107 21.195 1.093
82 HD2 LYS 12 HD2 LYS 12 -8.341 22.153 3.350
83 HD3 LYS 12 HD3 LYS 12 -9.684 21.244 4.107
84 HE2 LYS 12 HE2 LYS 12 -8.730 19.097 3.192
85 HE3 LYS 12 HE3 LYS 12 -7.326 20.015 2.578
86 HZ1 LYS 12 HZ1 LYS 12 -6.867 20.748 4.930
87 HZ2 LYS 12 HZ2 LYS 12 -8.217 19.807 5.480
88 HZ3 LYS 12 HZ3 LYS 12 -6.847 19.008 4.777
89 H GLN 13 H GLN 13 -13.704 23.364 2.281
90 HA GLN 13 HA GLN 13 -13.633 26.097 1.350
91 HB2 GLN 13 HB2 GLN 13 -16.003 24.229 1.940
92 HB3 GLN 13 HB3 GLN 13 -16.169 25.866 1.275
93 HG2 GLN 13 HG2 GLN 13 -14.767 25.308 -0.695
94 HG3 GLN 13 HG3 GLN 13 -14.532 23.655 -0.116
95 HE21 GLN 13 HE21 GLN 13 -17.952 22.621 -0.825
96 HE22 GLN 13 HE22 GLN 13 -16.749 22.401 0.388
97 H LYS 14 H LYS 14 -14.828 24.516 4.433
98 HA LYS 14 HA LYS 14 -15.753 26.863 5.662
99 HB2 LYS 14 HB2 LYS 14 -14.122 24.651 7.076
100 HB3 LYS 14 HB3 LYS 14 -14.967 26.012 7.849
101 HG2 LYS 14 HG2 LYS 14 -17.162 25.048 6.772
102 HG3 LYS 14 HG3 LYS 14 -16.212 23.582 6.465
103 HD2 LYS 14 HD2 LYS 14 -15.516 23.822 9.055
104 HD3 LYS 14 HD3 LYS 14 -16.943 24.874 9.114
105 HE2 LYS 14 HE2 LYS 14 -17.723 22.696 9.753
106 HE3 LYS 14 HE3 LYS 14 -18.252 22.835 8.055
107 HZ1 LYS 14 HZ1 LYS 14 -15.683 21.607 8.086
108 H ASP 15 H ASP 15 -12.389 25.407 5.569
109 HA ASP 15 HA ASP 15 -11.173 27.396 7.080
110 HB2 ASP 15 H32 ASP 15 -10.085 25.254 6.277
111 HB3 ASP 15 H33 ASP 15 -9.790 26.031 4.707
112 H GLU 16 H GLU 16 -11.603 27.311 3.442
113 HA GLU 16 HA GLU 16 -10.254 29.768 2.971
114 HB2 GLU 16 HB2 GLU 16 -12.515 28.408 1.400
115 HB3 GLU 16 HB3 GLU 16 -11.757 29.925 0.866
116 HG2 GLU 16 HG2 GLU 16 -10.152 27.346 1.346
117 HG3 GLU 16 HG3 GLU 16 -10.766 27.874 -0.241
118 H GLN 17 H GLN 17 -13.797 29.136 3.667
119 HA GLN 17 HA GLN 17 -14.521 31.900 3.351
120 HB2 GLN 17 H42 GLN 17 -16.187 30.082 3.359
121 HB3 GLN 17 H43 GLN 17 -15.818 29.691 5.059
122 HG2 GLN 17 H32 GLN 17 -16.634 31.987 5.753
123 HG3 GLN 17 H33 GLN 17 -16.953 32.374 4.040
124 HE21 GLN 17 H61 GLN 17 -19.361 29.571 5.996
125 HE22 GLN 17 H62 GLN 17 -17.775 29.853 6.592
126 H ARG 18 H ARG 18 -13.675 29.943 6.283
127 HA ARG 18 HA ARG 18 -13.825 32.011 8.200
128 HB2 ARG 18 H42 ARG 18 -11.984 29.567 7.952
129 HB3 ARG 18 H43 ARG 18 -11.959 30.586 9.394
130 HG2 ARG 18 H33 ARG 18 -14.230 30.065 9.997
131 HG3 ARG 18 H32 ARG 18 -14.606 29.371 8.406
132 HD2 ARG 18 H52 ARG 18 -13.088 27.476 8.797
133 HD3 ARG 18 H53 ARG 18 -12.642 28.143 10.406
134 HE ARG 18 H10 ARG 18 -15.488 27.902 10.290
135 HH11 ARG 18 H71 ARG 18 -16.503 26.192 11.338
136 HH12 ARG 18 H72 ARG 18 -15.654 24.727 11.675
137 HH21 ARG 18 H81 ARG 18 -12.608 25.797 10.323
138 HH22 ARG 18 H82 ARG 18 -13.463 24.491 11.127
139 H ALA 19 H ALA 19 -11.282 31.401 5.722
140 HA ALA 19 HA ALA 19 -9.380 33.159 7.104
141 HB1 ALA 19 H21 ALA 19 -9.143 31.724 4.403
142 HB2 ALA 19 H22 ALA 19 -7.838 32.574 5.278
143 HB3 ALA 19 H23 ALA 19 -8.572 31.104 5.974
144 H LYS 20 H LYS 20 -11.209 33.141 3.885
145 HA LYS 20 HA LYS 20 -10.399 35.699 3.054
146 HB2 LYS 20 H42 LYS 20 -11.783 34.105 1.648
147 HB3 LYS 20 H43 LYS 20 -13.144 34.295 2.778
148 HG2 LYS 20 H23 LYS 20 -13.194 36.785 2.207
149 HG3 LYS 20 H22 LYS 20 -11.918 36.493 0.995
150 HD2 LYS 20 H33 LYS 20 -13.432 34.884 -0.209
151 HD3 LYS 20 H32 LYS 20 -14.688 35.112 1.036
152 HE2 LYS 20 H53 LYS 20 -14.786 37.563 0.478
153 HE3 LYS 20 H52 LYS 20 -13.586 37.290 -0.814
154 HZ1 LYS 20 H71 LYS 20 -15.890 37.321 -1.684
155 HZ2 LYS 20 H72 LYS 20 -15.154 35.741 -1.914
156 HZ3 LYS 20 H73 LYS 20 -16.324 35.989 -0.623
157 H LEU 21 H LEU 21 -13.097 34.600 5.272
158 HA LEU 21 HA LEU 21 -13.977 37.246 5.866
159 HB2 LEU 21 HB2 LEU 21 -13.948 34.747 7.670
160 HB3 LEU 21 HB3 LEU 21 -14.603 36.318 8.170
161 HG LEU 21 HG LEU 21 -15.697 34.616 5.854
162 HD11 LEU 21 HD11 LEU 21 -17.567 34.170 7.472
163 HD12 LEU 21 HD12 LEU 21 -16.006 33.588 8.100
164 HD13 LEU 21 HD13 LEU 21 -16.700 35.109 8.728
165 HD21 LEU 21 HD21 LEU 21 -17.685 36.209 6.042
166 HD22 LEU 21 HD22 LEU 21 -16.701 37.239 7.114
167 HD23 LEU 21 HD23 LEU 21 -16.227 36.984 5.414
168 H PHE 22 H PHE 22 -11.686 35.075 7.825
169 HA PHE 22 HA PHE 22 -11.180 36.758 9.778
170 HB2 PHE 22 HB2 PHE 22 -9.952 34.620 9.625
171 HB3 PHE 22 HB3 PHE 22 -8.995 35.224 8.268
172 HD1 PHE 22 HD1 PHE 22 -6.997 36.549 8.667
173 HD2 PHE 22 HD2 PHE 22 -9.804 36.016 11.881
174 HE1 PHE 22 HE1 PHE 22 -5.246 37.161 10.301
175 HE2 PHE 22 HE2 PHE 22 -8.076 36.724 13.503
176 HZ PHE 22 HZ PHE 22 -5.748 37.136 12.732
177 H ILE 23 H ILE 23 -9.258 37.033 6.679
178 HA ILE 23 HA ILE 23 -7.998 39.396 7.779
179 HB ILE 23 HB ILE 23 -6.968 37.715 6.094
180 HG12 ILE 23 HG12 ILE 23 -5.631 39.482 4.850
181 HG13 ILE 23 HG13 ILE 23 -6.664 40.723 5.593
182 HG21 ILE 23 HG21 ILE 23 -8.899 37.792 4.437
183 HG22 ILE 23 HG22 ILE 23 -8.447 39.473 4.041
184 HG23 ILE 23 HG23 ILE 23 -7.323 38.133 3.688
185 HD11 ILE 23 HD11 ILE 23 -4.922 38.677 7.143
186 HD12 ILE 23 HD12 ILE 23 -4.441 40.353 6.766
187 HD13 ILE 23 HD13 ILE 23 -5.795 40.051 7.873
188 H GLU 24 H GLU 24 -10.807 38.949 5.494
189 HA GLU 24 HA GLU 24 -10.858 41.812 4.906
190 HB2 GLU 24 HB2 GLU 24 -13.036 39.674 4.524
191 HB3 GLU 24 HB3 GLU 24 -13.188 41.389 4.065
192 HG2 GLU 24 HG2 GLU 24 -11.264 41.161 2.491
193 HG3 GLU 24 HG3 GLU 24 -11.011 39.485 3.025
194 H TRP 25 H TRP 25 -12.961 39.584 6.871
195 HA TRP 25 HA TRP 25 -14.394 41.256 8.462
196 HB2 TRP 25 HB2 TRP 25 -14.322 38.791 8.743
197 HB3 TRP 25 HB3 TRP 25 -12.649 38.861 9.344
198 HD1 TRP 25 HD1 TRP 25 -16.017 40.343 10.366
199 HE1 TRP 25 HE1 TRP 25 -16.254 40.098 12.917
200 HE3 TRP 25 HE3 TRP 25 -11.333 38.552 11.446
201 HZ2 TRP 25 HZ2 TRP 25 -14.801 39.103 15.019
202 HZ3 TRP 25 HZ3 TRP 25 -10.758 38.110 13.839
203 HH2 TRP 25 HH2 TRP 25 -12.505 38.297 15.598
204 H LEU 26 H LEU 26 -10.801 40.547 8.956
205 HA LEU 26 HA LEU 26 -10.721 42.242 11.281
206 HB2 LEU 26 HB2 LEU 26 -8.451 41.438 9.369
207 HB3 LEU 26 HB3 LEU 26 -8.237 42.542 10.748
208 HG LEU 26 HG LEU 26 -8.964 39.561 11.001
209 HD11 LEU 26 HD11 LEU 26 -6.405 41.179 11.554
210 HD12 LEU 26 HD12 LEU 26 -6.658 39.497 12.057
211 HD13 LEU 26 HD13 LEU 26 -6.646 39.908 10.321
212 HD21 LEU 26 HD21 LEU 26 -8.618 39.901 13.433
213 HD22 LEU 26 HD22 LEU 26 -8.580 41.672 13.173
214 HD23 LEU 26 HD23 LEU 26 -10.070 40.725 12.848
215 H AIB 27 H ALA 27 -9.893 42.735 7.734
216 HB11 AIB 27 H21 ALA 27 -7.862 44.948 8.134
217 HB12 AIB 27 H22 ALA 27 -8.539 46.534 7.649
218 HB13 AIB 27 H23 ALA 27 -8.886 45.869 9.258
219 HB21 AIB 27 H31 ALA 27 -8.887 44.068 5.878
220 HB22 AIB 27 H32 ALA 27 -10.649 44.186 5.630
221 HB23 AIB 27 H33 ALA 27 -9.648 45.654 5.581
222 H ALA 28 H ALA 28 -12.524 44.114 7.752
223 HA ALA 28 HA ALA 28 -13.780 46.641 7.421
224 HB1 ALA 28 H21 ALA 28 -14.773 44.201 9.046
225 HB2 ALA 28 H22 ALA 28 -15.786 45.565 8.500
226 HB3 ALA 28 H23 ALA 28 -15.043 44.470 7.305
227 H GLY 29 H GLY 29 -12.151 45.132 10.229
228 HA2 GLY 29 HA2 GLY 29 -11.692 46.929 11.974
229 HA3 GLY 29 HA3 GLY 29 -13.465 46.972 12.161
230 H GLY 30 H GLY 30 -13.611 43.896 11.421
231 HA2 GLY 30 HA2 GLY 30 -13.344 41.874 12.562
232 HA3 GLY 30 HA3 GLY 30 -12.244 42.665 13.682
233 HA PRO 31 HA PRO 31 -16.279 41.879 15.880
234 HB2 PRO 31 HB2 PRO 31 -14.582 43.194 18.067
235 HB3 PRO 31 HB3 PRO 31 -15.768 41.862 18.237
236 HG2 PRO 31 HG2 PRO 31 -13.109 41.244 18.065
237 HG3 PRO 31 HG3 PRO 31 -14.280 40.332 17.069
238 HD2 PRO 31 HD2 PRO 31 -12.477 42.650 16.160
239 HD3 PRO 31 HD3 PRO 31 -12.793 41.086 15.352
240 HA PRO 32 HA PRO 32 -17.225 46.459 17.003
241 HB2 PRO 32 HB2 PRO 32 -15.704 48.486 15.817
242 HB3 PRO 32 HB3 PRO 32 -15.303 47.760 17.400
243 HG2 PRO 32 HG2 PRO 32 -14.178 46.915 14.692
244 HG3 PRO 32 HG3 PRO 32 -13.243 47.404 16.141
245 HD2 PRO 32 HD3 PRO 32 -13.645 44.796 15.641
246 HD3 PRO 32 HD2 PRO 32 -13.914 45.359 17.327
247 H SER 33 H SER 33 -16.139 45.232 13.782
248 HA SER 33 HA SER 33 -17.970 46.870 12.278
249 HB2 SER 33 HB2 SER 33 -17.021 44.018 11.642
250 HB3 SER 33 HB3 SER 33 -17.622 45.231 10.486
251 HG SER 33 HG SER 33 -15.700 46.497 11.093
252 H AIB 34 H AIB 34 -18.737 44.495 14.715
253 HB11 AIB 34 H31 AIB 34 -21.762 45.602 14.817
254 HB12 AIB 34 H32 AIB 34 -22.034 45.182 13.111
255 HB13 AIB 34 H33 AIB 34 -22.814 44.231 14.393
256 HB21 AIB 34 H21 AIB 34 -19.769 42.479 15.698
257 HB22 AIB 34 H22 AIB 34 -20.604 43.897 16.377
258 HB23 AIB 34 H23 AIB 34 -21.549 42.517 15.746
259 H LYS 35 H LYS 35 -18.802 42.139 13.449
260 HA LYS 35 HA LYS 35 -20.654 40.570 11.692
261 HB2 LYS 35 H42 LYS 35 -17.817 41.628 11.197
262 HB3 LYS 35 H43 LYS 35 -18.500 40.259 10.275
263 HG2 LYS 35 H23 LYS 35 -20.362 41.704 9.464
264 HG3 LYS 35 H22 LYS 35 -19.724 43.067 10.432
265 HD2 LYS 35 H33 LYS 35 -17.676 43.175 9.063
266 HD3 LYS 35 H32 LYS 35 -18.094 41.666 8.227
267 HE2 LYS 35 H53 LYS 35 -18.535 43.603 6.776
268 HE3 LYS 35 H52 LYS 35 -20.040 42.716 7.123
269 HZ1 LYS 35 H71 LYS 35 -19.170 45.229 8.551
270 HZ2 LYS 35 H72 LYS 35 -20.281 45.176 7.193
271 HZ3 LYS 35 H73 LYS 35 -20.715 44.404 8.707
272 HA PRO 36 HA PRO 36 -19.430 37.659 14.573
273 HB2 PRO 36 HB2 PRO 36 -19.645 35.176 13.308
274 HB3 PRO 36 HB3 PRO 36 -21.049 36.275 13.505
275 HG2 PRO 36 HG2 PRO 36 -19.171 36.162 11.099
276 HG3 PRO 36 HG3 PRO 36 -20.938 35.885 11.065
277 HD2 PRO 36 HD2 PRO 36 -19.981 38.378 10.513
278 HD3 PRO 36 HD3 PRO 36 -21.366 38.244 11.658
279 HA PRO 37 HA PRO 37 -15.051 36.451 14.301
280 HB2 PRO 37 HB2 PRO 37 -16.046 33.715 15.296
281 HB3 PRO 37 HB3 PRO 37 -14.612 34.609 15.889
282 HG2 PRO 37 HG2 PRO 37 -16.850 34.732 17.386
283 HG3 PRO 37 HG3 PRO 37 -16.027 36.264 16.962
284 HD2 PRO 37 HD2 PRO 37 -18.520 35.089 15.580
285 HD3 PRO 37 HD3 PRO 37 -18.222 36.745 16.229
286 HA PRO 38 HA PRO 38 -14.458 34.136 10.449
287 HB2 PRO 38 HB2 PRO 38 -12.950 32.155 12.251
288 HB3 PRO 38 HB3 PRO 38 -12.544 32.605 10.568
289 HG2 PRO 38 HG2 PRO 38 -11.235 33.927 12.520
290 HG3 PRO 38 HG3 PRO 38 -12.062 34.912 11.277
291 HD2 PRO 38 HD2 PRO 38 -13.082 34.253 14.089
292 HD3 PRO 38 HD3 PRO 38 -13.073 35.839 13.229
293 H LYS 39 H LYS 39 -15.398 31.894 13.266
294 HA LYS 39 HA LYS 39 -16.521 30.003 11.374
295 HB2 LYS 39 H42 LYS 39 -17.161 30.258 14.366
296 HB3 LYS 39 H43 LYS 39 -17.705 28.958 13.275
297 HG2 LYS 39 H23 LYS 39 -15.287 28.404 12.764
298 HG3 LYS 39 H22 LYS 39 -14.784 29.598 13.988
299 HD2 LYS 39 H33 LYS 39 -16.154 28.296 15.715
300 HD3 LYS 39 H32 LYS 39 -16.422 27.043 14.477
301 HE2 LYS 39 H53 LYS 39 -13.681 27.952 15.585
302 HE3 LYS 39 H52 LYS 39 -14.561 26.471 16.036
303 HZ1 LYS 39 H71 LYS 39 -13.401 27.106 13.322
304 HZ2 LYS 39 H73 LYS 39 -14.419 25.716 13.680
305 HZ3 LYS 39 H72 LYS 39 -12.859 25.898 14.466
306 HN1 NH2 40 H11 LYS 39 -19.445 32.690 12.615
307 HN2 NH2 40 H12 LYS 39 -17.983 32.609 13.523
308 H93 EVT 101 H93 XXX 40 -16.900 14.079 8.417
309 H92 EVT 101 H92 XXX 40 -15.445 13.092 8.236
310 H103 EVT 101 H103 XXX 40 -16.765 13.950 10.878
311 H102 EVT 101 H102 XXX 40 -16.684 12.305 10.203
312 H11 EVT 101 H11 XXX 40 -14.312 13.981 11.197
313 H122 EVT 101 H122 XXX 40 -11.846 11.253 8.870
314 H123 EVT 101 H123 XXX 40 -10.640 11.409 10.163
315 H133 EVT 101 H133 XXX 40 -12.898 9.298 10.081
316 H132 EVT 101 H132 XXX 40 -11.727 9.515 11.409
317 H143 EVT 101 H143 XXX 40 -9.843 9.120 9.746
318 H142 EVT 101 H142 XXX 40 -11.054 8.739 8.499
319 H153 EVT 101 H153 XXX 40 -11.843 6.780 9.814
320 H152 EVT 101 H152 XXX 40 -10.804 7.244 11.191
321 H6 EVT 101 H6 XXX 40 -16.527 16.250 9.789
322 H163 EVT 101 H163 XXX 40 -8.762 6.926 9.833
323 H162 EVT 101 H162 XXX 40 -9.731 6.452 8.412
324 H173 EVT 101 H173 XXX 40 -10.546 4.431 9.568
325 H172 EVT 101 H172 XXX 40 -9.796 4.943 11.103
326 H183 EVT 101 H183 XXX 40 -7.540 4.811 10.086
327 H182 EVT 101 H182 XXX 40 -8.233 4.298 8.527
328 H193 EVT 101 H193 XXX 40 -9.190 2.253 9.597
329 H192 EVT 101 H192 XXX 40 -8.475 2.717 11.163
330 H203 EVT 101 H203 XXX 40 -6.872 2.121 8.587
331 H202 EVT 101 H202 XXX 40 -7.148 0.968 9.916
332 H213 EVT 101 H213 XXX 40 -5.960 2.526 11.514
333 H212 EVT 101 H212 XXX 40 -5.569 3.610 10.150
334 H223 EVT 101 H223 XXX 40 -4.324 1.798 9.011
335 H222 EVT 101 H222 XXX 40 -4.662 0.680 10.366
336 H25 EVT 101 H25 XXX 40 -14.250 11.556 9.586
337 H293 EVT 101 H293 XXX 40 -3.498 2.256 11.952
338 H292 EVT 101 H292 XXX 40 -3.079 3.326 10.592
339 H303 EVT 101 H303 XXX 40 -2.151 0.396 10.920
340 H302 EVT 101 H302 XXX 40 -1.199 1.842 11.336
341 H313 EVT 101 H313 XXX 40 -1.312 2.587 8.903
342 H312 EVT 101 H312 XXX 40 -2.122 1.046 8.499
343 H321 EVT 101 H321 XXX 40 0.318 0.889 8.034
344 H323 EVT 101 H323 XXX 40 -0.131 -0.233 9.353
345 H322 EVT 101 H322 XXX 40 0.695 1.309 9.729
346 H353 EVT 101 H353 XXX 40 -15.677 19.205 7.572
347 H352 EVT 101 H352 XXX 40 -17.050 18.235 8.154
348 H363 EVT 101 H363 XXX 40 -16.280 18.644 10.545
349 H362 EVT 101 H362 XXX 40 -14.897 19.563 9.906
350 H37 EVT 101 H37 XXX 40 -14.114 17.528 8.682