Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635909 | 6qan RC | 34339 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H1 ARG 1 7.068 10.366 -3.456
2 H2 ARG 1 H2 ARG 1 7.788 10.504 -4.927
3 H3 ARG 1 H3 ARG 1 7.217 11.833 -4.162
4 HA ARG 1 HA ARG 1 8.837 11.624 -2.418
5 HB2 ARG 1 HB2 ARG 1 9.819 9.217 -3.927
6 HB3 ARG 1 HB3 ARG 1 10.777 9.951 -2.954
7 HG2 ARG 1 HG2 ARG 1 8.289 8.595 -1.949
8 HG3 ARG 1 HG3 ARG 1 9.734 8.043 -1.844
9 HD2 ARG 1 HD2 ARG 1 10.275 10.333 -0.512
10 HD3 ARG 1 HD3 ARG 1 8.764 10.569 -0.459
11 HE ARG 1 HE ARG 1 8.951 7.918 0.462
12 HH11 ARG 1 HH11 ARG 1 10.051 11.069 1.561
13 HH12 ARG 1 HH12 ARG 1 10.308 10.494 3.186
14 HH21 ARG 1 HH21 ARG 1 9.511 7.233 2.440
15 HH22 ARG 1 HH22 ARG 1 9.943 8.380 3.702
16 H ASP 2 H ASP 2 11.006 12.474 -2.572
17 HA ASP 2 HA ASP 2 11.824 13.450 -5.276
18 HB2 ASP 2 HB2 ASP 2 10.664 15.240 -3.868
19 HB3 ASP 2 HB3 ASP 2 11.651 15.075 -2.739
20 HA PRO 3 HA PRO 3 15.908 12.922 -2.940
21 HB2 PRO 3 HB2 PRO 3 16.193 12.159 -0.413
22 HB3 PRO 3 HB3 PRO 3 15.815 13.592 -0.741
23 HG2 PRO 3 HG2 PRO 3 13.722 11.692 0.223
24 HG3 PRO 3 HG3 PRO 3 13.949 13.071 0.651
25 HD2 PRO 3 HD2 PRO 3 12.150 12.973 -1.366
26 HD3 PRO 3 HD3 PRO 3 13.074 14.186 -1.229
27 H LEU 4 H LEU 4 13.443 10.488 -2.322
28 HA LEU 4 HA LEU 4 13.327 8.233 -2.565
29 HB2 LEU 4 HB2 LEU 4 13.542 9.594 -4.984
30 HB3 LEU 4 HB3 LEU 4 14.594 8.564 -5.269
31 HG LEU 4 HG LEU 4 11.789 7.771 -4.347
32 HD11 LEU 4 HD11 LEU 4 11.392 7.173 -6.698
33 HD12 LEU 4 HD12 LEU 4 13.019 7.749 -7.132
34 HD13 LEU 4 HD13 LEU 4 11.790 8.891 -6.542
35 HD21 LEU 4 HD21 LEU 4 12.306 5.519 -5.200
36 HD22 LEU 4 HD22 LEU 4 13.392 5.962 -3.877
37 HD23 LEU 4 HD23 LEU 4 13.974 6.029 -5.554
38 H LEU 5 H LEU 5 15.475 8.515 -0.946
39 HA LEU 5 HA LEU 5 17.900 7.331 -1.898
40 HB2 LEU 5 HB2 LEU 5 17.046 7.463 0.976
41 HB3 LEU 5 HB3 LEU 5 18.495 7.186 0.516
42 HG LEU 5 HG LEU 5 17.073 9.807 -0.103
43 HD11 LEU 5 HD11 LEU 5 17.563 9.482 2.290
44 HD12 LEU 5 HD12 LEU 5 18.573 10.756 1.587
45 HD13 LEU 5 HD13 LEU 5 19.267 9.148 1.903
46 HD21 LEU 5 HD21 LEU 5 18.786 9.380 -1.804
47 HD22 LEU 5 HD22 LEU 5 19.979 8.985 -0.543
48 HD23 LEU 5 HD23 LEU 5 19.340 10.638 -0.699
49 H ASP 6 H ASP 6 15.130 5.842 -0.240
50 HA ASP 6 HA ASP 6 16.052 3.149 -1.103
51 HB2 ASP 6 HB2 ASP 6 16.768 3.836 1.381
52 HB3 ASP 6 HB3 ASP 6 15.314 3.750 1.786
53 H ALA 7 H ALA 7 13.548 5.250 -1.143
54 HA ALA 7 HA ALA 7 11.296 3.897 -0.160
55 HB1 ALA 7 HB1 ALA 7 10.025 5.410 -1.604
56 HB2 ALA 7 HB2 ALA 7 11.347 6.264 -0.790
57 HB3 ALA 7 HB3 ALA 7 11.491 5.821 -2.510
58 H NLE 8 H NLE 8 12.930 3.460 -3.281
59 HA NLE 8 HA NLE 8 10.965 2.050 -4.658
60 HB2 NLE 8 HB2 NLE 8 12.566 1.425 -6.202
61 HB3 NLE 8 HB3 NLE 8 13.112 2.969 -5.594
62 HG2 NLE 8 HG2 NLE 8 14.223 0.214 -4.863
63 HG3 NLE 8 HG3 NLE 8 14.941 1.352 -5.983
64 HD2 NLE 8 HD2 NLE 8 14.675 1.788 -2.980
65 HD3 NLE 8 HD3 NLE 8 16.123 1.288 -3.844
66 HE1 NLE 8 HE1 NLE 8 16.070 3.441 -5.140
67 HE2 NLE 8 HE2 NLE 8 14.713 3.968 -4.117
68 HE3 NLE 8 HE3 NLE 8 16.298 3.654 -3.395
69 H ARG 9 H ARG 9 12.828 0.856 -1.990
70 HA ARG 9 HA ARG 9 11.910 -1.968 -2.452
71 HB2 ARG 9 HB2 ARG 9 13.659 -1.084 -0.183
72 HB3 ARG 9 HB3 ARG 9 13.314 -2.548 -0.545
73 HG2 ARG 9 HG2 ARG 9 14.518 -2.026 -2.880
74 HG3 ARG 9 HG3 ARG 9 15.001 -0.711 -2.294
75 HD2 ARG 9 HD2 ARG 9 15.872 -3.355 -1.125
76 HD3 ARG 9 HD3 ARG 9 16.752 -2.358 -1.898
77 HE ARG 9 HE ARG 9 16.264 -0.632 -0.015
78 HH11 ARG 9 HH11 ARG 9 16.578 -4.073 0.619
79 HH12 ARG 9 HH12 ARG 9 16.842 -3.805 2.321
80 HH21 ARG 9 HH21 ARG 9 16.422 -0.383 2.115
81 HH22 ARG 9 HH22 ARG 9 16.820 -1.746 3.144
82 H ARG 10 H ARG 10 12.018 0.307 0.275
83 HA ARG 10 HA ARG 10 10.158 -1.224 1.823
84 HB2 ARG 10 HB2 ARG 10 10.732 0.364 3.525
85 HB3 ARG 10 HB3 ARG 10 12.020 0.070 2.737
86 HG2 ARG 10 HG2 ARG 10 11.133 2.336 1.361
87 HG3 ARG 10 HG3 ARG 10 10.402 2.620 2.650
88 HD2 ARG 10 HD2 ARG 10 13.411 2.305 2.596
89 HD3 ARG 10 HD3 ARG 10 12.655 3.644 2.693
90 HE ARG 10 HE ARG 10 11.625 2.787 4.892
91 HH11 ARG 10 HH11 ARG 10 14.837 1.652 3.854
92 HH12 ARG 10 HH12 ARG 10 15.336 1.457 5.512
93 HH21 ARG 10 HH21 ARG 10 12.380 2.443 6.922
94 HH22 ARG 10 HH22 ARG 10 14.002 1.862 7.173
95 H GLU 11 H GLU 11 9.578 1.633 -0.155
96 HA GLU 11 HA GLU 11 6.701 1.680 0.681
97 HB2 GLU 11 HB2 GLU 11 8.202 3.711 -0.947
98 HB3 GLU 11 HB3 GLU 11 6.690 3.781 -0.754
99 HG2 GLU 11 HG2 GLU 11 6.846 4.068 1.683
100 HG3 GLU 11 HG3 GLU 11 8.239 3.467 1.821
101 H GLY 12 H GLY 12 8.831 1.018 -2.093
102 HA2 GLY 12 HA2 GLY 12 6.908 0.478 -4.095
103 HA3 GLY 12 HA3 GLY 12 8.466 -0.342 -3.918
104 H ALA 13 H ALA 13 8.110 -1.751 -1.508
105 HA ALA 13 HA ALA 13 6.379 -3.938 -2.202
106 HB1 ALA 13 HB1 ALA 13 8.423 -4.200 -0.871
107 HB2 ALA 13 HB2 ALA 13 7.723 -3.216 0.436
108 HB3 ALA 13 HB3 ALA 13 7.009 -4.790 0.021
109 H NLE 14 H NLE 14 6.007 -1.282 0.177
110 HA NLE 14 HA NLE 14 3.560 -2.130 1.304
111 HB2 NLE 14 HB2 NLE 14 5.174 -0.405 2.160
112 HB3 NLE 14 HB3 NLE 14 4.501 0.743 0.991
113 HG2 NLE 14 HG2 NLE 14 2.256 0.461 2.032
114 HG3 NLE 14 HG3 NLE 14 2.932 -0.692 3.188
115 HD2 NLE 14 HD2 NLE 14 3.729 2.247 2.933
116 HD3 NLE 14 HD3 NLE 14 2.614 1.581 4.130
117 HE1 NLE 14 HE1 NLE 14 4.766 1.901 5.182
118 HE2 NLE 14 HE2 NLE 14 4.479 0.155 5.031
119 HE3 NLE 14 HE3 NLE 14 5.597 0.984 3.918
120 H ASP 15 H ASP 15 4.173 -0.201 -1.619
121 HA ASP 15 HA ASP 15 1.522 0.555 -2.251
122 HB2 ASP 15 HB2 ASP 15 3.784 1.245 -3.370
123 HB3 ASP 15 HB3 ASP 15 3.823 -0.066 -4.133
124 H PHE 16 H PHE 16 2.906 -2.664 -2.451
125 HA PHE 16 HA PHE 16 0.421 -3.549 -3.858
126 HB2 PHE 16 HB2 PHE 16 1.582 -5.310 -4.862
127 HB3 PHE 16 HB3 PHE 16 2.297 -3.981 -5.250
128 HD1 PHE 16 HD1 PHE 16 2.627 -6.712 -2.646
129 HD2 PHE 16 HD2 PHE 16 4.635 -3.918 -5.252
130 HE1 PHE 16 HE1 PHE 16 4.807 -7.750 -2.085
131 HE2 PHE 16 HE2 PHE 16 6.805 -4.997 -4.729
132 HZ PHE 16 HZ PHE 16 6.899 -6.909 -3.138
133 H TRP 17 H TRP 17 2.036 -3.719 -0.814
134 HA TRP 17 HA TRP 17 0.331 -5.866 0.234
135 HB2 TRP 17 HB2 TRP 17 2.286 -4.943 1.535
136 HB3 TRP 17 HB3 TRP 17 1.740 -3.501 1.516
137 HD1 TRP 17 HD1 TRP 17 0.459 -2.692 3.540
138 HE1 TRP 17 HE1 TRP 17 -0.798 -3.743 5.517
139 HE3 TRP 17 HE3 TRP 17 0.682 -7.617 2.124
140 HZ2 TRP 17 HZ2 TRP 17 -1.593 -6.375 6.384
141 HZ3 TRP 17 HZ3 TRP 17 -0.321 -9.377 3.563
142 HH2 TRP 17 HH2 TRP 17 -1.429 -8.773 5.703
143 H SER 18 H SER 18 0.087 -2.272 0.253
144 HA SER 18 HA SER 18 -2.540 -2.154 1.336
145 HB2 SER 18 HB2 SER 18 -2.342 0.256 0.746
146 HB3 SER 18 HB3 SER 18 -1.058 -0.255 1.431
147 HG SER 18 HG SER 18 0.051 -0.299 -0.455
148 H ALA 19 H ALA 19 -1.602 -2.861 -1.939
149 HA ALA 19 HA ALA 19 -4.026 -2.227 -3.297
150 HB1 ALA 19 HB1 ALA 19 -1.876 -2.740 -4.404
151 HB2 ALA 19 HB2 ALA 19 -1.993 -4.433 -3.848
152 HB3 ALA 19 HB3 ALA 19 -3.177 -3.783 -4.997
153 H GLY 20 H GLY 20 -3.439 -4.713 -0.953
154 HA2 GLY 20 HA2 GLY 20 -6.166 -5.850 -1.447
155 HA3 GLY 20 HA3 GLY 20 -4.774 -6.914 -1.228
156 H ABA 21 H ABU 21 -3.655 -5.037 0.857
157 HA ABA 21 HA ABU 21 -3.454 -5.019 3.082
158 HB3 ABA 21 HB3 ABU 21 -6.270 -3.910 2.923
159 HB2 ABA 21 HB2 ABU 21 -4.810 -3.041 2.430
160 HG1 ABA 21 HG1 ABU 21 -5.454 -2.381 4.688
161 HG3 ABA 21 HG3 ABU 21 -3.899 -3.235 4.728
162 HG2 ABA 21 HG2 ABU 21 -5.390 -4.064 5.242
163 H TYR 22 H TYR 22 -3.173 -7.091 3.769
164 HA TYR 22 HA TYR 22 -3.523 -9.107 4.692
165 HB2 TYR 22 HB2 TYR 22 -6.273 -8.460 5.606
166 HB3 TYR 22 HB3 TYR 22 -5.369 -9.629 6.133
167 HD1 TYR 22 HD1 TYR 22 -3.247 -9.230 7.460
168 HD2 TYR 22 HD2 TYR 22 -6.130 -6.132 6.567
169 HE1 TYR 22 HE1 TYR 22 -2.382 -7.858 9.362
170 HE2 TYR 22 HE2 TYR 22 -5.267 -4.775 8.474
171 HH TYR 22 HH TYR 22 -3.775 -4.679 10.210
172 H ALA 23 H ALA 23 -4.295 -8.487 1.882
173 HA ALA 23 HA ALA 23 -5.408 -9.287 0.073
174 HB1 ALA 23 HB1 ALA 23 -5.208 -11.692 -0.280
175 HB2 ALA 23 HB2 ALA 23 -3.747 -11.052 0.494
176 HB3 ALA 23 HB3 ALA 23 -4.939 -11.952 1.455
177 H ARG 24 H ARG 24 -7.112 -8.194 1.813
178 HA ARG 24 HA ARG 24 -9.556 -9.902 2.070
179 HB2 ARG 24 HB2 ARG 24 -8.398 -9.142 4.115
180 HB3 ARG 24 HB3 ARG 24 -8.372 -7.617 3.675
181 HG2 ARG 24 HG2 ARG 24 -10.102 -7.816 5.324
182 HG3 ARG 24 HG3 ARG 24 -10.673 -7.252 4.027
183 HD2 ARG 24 HD2 ARG 24 -11.489 -9.758 3.510
184 HD3 ARG 24 HD3 ARG 24 -10.961 -10.158 4.893
185 HE ARG 24 HE ARG 24 -12.781 -9.175 5.942
186 HH11 ARG 24 HH11 ARG 24 -12.516 -7.662 2.774
187 HH12 ARG 24 HH12 ARG 24 -14.038 -6.816 2.960
188 HH21 ARG 24 HH21 ARG 24 -14.696 -7.997 6.104
189 HH22 ARG 24 HH22 ARG 24 -15.181 -6.979 4.772
190 H GLY 25 H GLY 25 -8.465 -7.793 -0.082
191 HA2 GLY 25 HA2 GLY 25 -9.604 -6.668 -1.770
192 HA3 GLY 25 HA3 GLY 25 -11.127 -6.879 -0.901
193 H VAL 26 H VAL 26 -8.374 -5.473 0.740
194 HA VAL 26 HA VAL 26 -8.270 -3.591 1.997
195 HB VAL 26 HB VAL 26 -6.910 -3.140 0.187
196 HG11 VAL 26 HG11 VAL 26 -9.204 -1.807 -1.283
197 HG12 VAL 26 HG12 VAL 26 -7.491 -1.735 -1.735
198 HG13 VAL 26 HG13 VAL 26 -8.340 -3.282 -1.758
199 HG21 VAL 26 HG21 VAL 26 -8.359 -0.564 0.849
200 HG22 VAL 26 HG22 VAL 26 -7.215 -1.397 1.930
201 HG23 VAL 26 HG23 VAL 26 -6.669 -0.769 0.368
202 HA PRO 27 HA PRO 27 -12.739 -3.542 2.615
203 HB2 PRO 27 HB2 PRO 27 -12.109 -2.370 5.275
204 HB3 PRO 27 HB3 PRO 27 -13.136 -3.352 4.942
205 HG2 PRO 27 HG2 PRO 27 -10.939 -4.672 5.602
206 HG3 PRO 27 HG3 PRO 27 -11.729 -5.207 4.426
207 HD2 PRO 27 HD2 PRO 27 -9.181 -3.767 3.941
208 HD3 PRO 27 HD3 PRO 27 -9.775 -4.930 3.206
209 H LEU 28 H LEU 28 -11.011 -0.474 3.417
210 HA LEU 28 HA LEU 28 -13.310 1.176 3.208
211 HB2 LEU 28 HB2 LEU 28 -11.776 2.981 3.346
212 HB3 LEU 28 HB3 LEU 28 -11.485 1.916 4.482
213 HG LEU 28 HG LEU 28 -9.478 2.966 3.594
214 HD11 LEU 28 HD11 LEU 28 -9.312 -0.006 3.007
215 HD12 LEU 28 HD12 LEU 28 -9.356 0.703 4.650
216 HD13 LEU 28 HD13 LEU 28 -8.036 1.089 3.536
217 HD21 LEU 28 HD21 LEU 28 -10.124 3.112 1.197
218 HD22 LEU 28 HD22 LEU 28 -9.820 1.364 1.047
219 HD23 LEU 28 HD23 LEU 28 -8.497 2.457 1.475
220 H SER 29 H SER 29 -11.754 -0.352 0.641
221 HA SER 29 HA SER 29 -13.250 1.325 -1.327
222 HB2 SER 29 HB2 SER 29 -10.521 0.150 -1.912
223 HB3 SER 29 HB3 SER 29 -11.449 0.793 -2.976
224 HG SER 29 HG SER 29 -9.962 2.290 -2.096
225 H GLU 30 H GLU 30 -13.466 -1.524 0.165
226 HA GLU 30 HA GLU 30 -13.788 -3.413 -2.026
227 HB2 GLU 30 HB2 GLU 30 -13.579 -3.708 0.672
228 HB3 GLU 30 HB3 GLU 30 -15.109 -3.532 0.675
229 HG2 GLU 30 HG2 GLU 30 -15.025 -5.521 -1.167
230 HG3 GLU 30 HG3 GLU 30 -13.585 -5.746 -0.721
231 HA PRO 31 HA PRO 31 -17.741 -1.928 -3.530
232 HB2 PRO 31 HB2 PRO 31 -18.678 -4.684 -4.060
233 HB3 PRO 31 HB3 PRO 31 -18.745 -3.509 -4.934
234 HG2 PRO 31 HG2 PRO 31 -16.544 -4.861 -5.523
235 HG3 PRO 31 HG3 PRO 31 -16.439 -3.352 -5.522
236 HD2 PRO 31 HD2 PRO 31 -15.292 -4.896 -3.246
237 HD3 PRO 31 HD3 PRO 31 -14.758 -3.682 -3.948
238 HA PRO 32 HA PRO 32 -20.821 -3.816 -0.262
239 HB2 PRO 32 HB2 PRO 32 -19.203 -4.890 1.943
240 HB3 PRO 32 HB3 PRO 32 -20.465 -5.399 1.416
241 HG2 PRO 32 HG2 PRO 32 -18.494 -6.820 0.357
242 HG3 PRO 32 HG3 PRO 32 -19.618 -6.451 -0.570
243 HD2 PRO 32 HD2 PRO 32 -17.073 -4.842 -0.657
244 HD3 PRO 32 HD3 PRO 32 -17.807 -5.466 -1.775
245 H GLN 33 H GLN 33 -17.872 -2.034 0.360
246 HA GLN 33 HA GLN 33 -19.276 -0.201 2.266
247 HB2 GLN 33 HB2 GLN 33 -16.331 -0.479 1.779
248 HB3 GLN 33 HB3 GLN 33 -16.932 0.706 2.612
249 HG2 GLN 33 HG2 GLN 33 -16.552 -0.747 4.382
250 HG3 GLN 33 HG3 GLN 33 -18.061 -0.877 4.229
251 HE21 GLN 33 HE21 GLN 33 -15.185 -2.482 2.755
252 HE22 GLN 33 HE22 GLN 33 -15.820 -4.121 2.863
253 H ALA 34 H ALA 34 -18.998 -0.504 -0.955
254 HA ALA 34 HA ALA 34 -18.968 0.850 -2.765
255 HB1 ALA 34 HB1 ALA 34 -20.796 2.389 -0.891
256 HB2 ALA 34 HB2 ALA 34 -20.848 2.401 -2.669
257 HB3 ALA 34 HB3 ALA 34 -21.214 0.909 -1.786
258 H LEU 35 H LEU 35 -16.567 1.372 -1.712
259 HA LEU 35 HA LEU 35 -14.796 2.778 -1.715
260 HB2 LEU 35 HB2 LEU 35 -16.300 4.623 -3.520
261 HB3 LEU 35 HB3 LEU 35 -14.764 4.628 -3.349
262 HG LEU 35 HG LEU 35 -16.190 2.161 -4.448
263 HD11 LEU 35 HD11 LEU 35 -15.397 2.930 -6.641
264 HD12 LEU 35 HD12 LEU 35 -14.750 4.415 -5.906
265 HD13 LEU 35 HD13 LEU 35 -16.506 4.101 -5.908
266 HD21 LEU 35 HD21 LEU 35 -13.981 1.659 -3.512
267 HD22 LEU 35 HD22 LEU 35 -13.251 2.988 -4.449
268 HD23 LEU 35 HD23 LEU 35 -13.938 1.568 -5.273
269 HN1 NH2 36 H1 NHE 36 -17.070 3.367 0.356
270 HN2 NH2 36 H2 NHE 36 -16.541 4.911 0.998
Start of MODEL 2
1 H1 ARG 1 H1 ARG 1 7.010 12.193 -3.714
2 H2 ARG 1 H2 ARG 1 6.843 10.671 -3.136
3 H3 ARG 1 H3 ARG 1 7.527 10.926 -4.603
4 HA ARG 1 HA ARG 1 8.669 11.819 -2.035
5 HB2 ARG 1 HB2 ARG 1 9.473 9.462 -3.728
6 HB3 ARG 1 HB3 ARG 1 10.553 10.116 -2.841
7 HG2 ARG 1 HG2 ARG 1 8.122 8.845 -1.618
8 HG3 ARG 1 HG3 ARG 1 9.537 8.229 -1.671
9 HD2 ARG 1 HD2 ARG 1 10.338 10.438 -0.357
10 HD3 ARG 1 HD3 ARG 1 8.858 10.778 -0.158
11 HE ARG 1 HE ARG 1 8.985 8.093 0.705
12 HH11 ARG 1 HH11 ARG 1 10.220 11.214 1.755
13 HH12 ARG 1 HH12 ARG 1 10.550 10.628 3.361
14 HH21 ARG 1 HH21 ARG 1 9.629 7.389 2.656
15 HH22 ARG 1 HH22 ARG 1 10.164 8.521 3.889
16 H ASP 2 H ASP 2 10.901 12.543 -2.192
17 HA ASP 2 HA ASP 2 11.680 13.724 -4.816
18 HB2 ASP 2 HB2 ASP 2 10.538 15.440 -3.302
19 HB3 ASP 2 HB3 ASP 2 11.508 15.205 -2.173
20 HA PRO 3 HA PRO 3 15.762 13.060 -2.480
21 HB2 PRO 3 HB2 PRO 3 16.012 12.077 -0.015
22 HB3 PRO 3 HB3 PRO 3 15.686 13.542 -0.239
23 HG2 PRO 3 HG2 PRO 3 13.528 11.658 0.582
24 HG3 PRO 3 HG3 PRO 3 13.789 13.000 1.094
25 HD2 PRO 3 HD2 PRO 3 12.006 13.088 -0.927
26 HD3 PRO 3 HD3 PRO 3 12.979 14.255 -0.724
27 H LEU 4 H LEU 4 13.324 10.556 -1.957
28 HA LEU 4 HA LEU 4 13.218 8.328 -2.349
29 HB2 LEU 4 HB2 LEU 4 13.382 9.827 -4.699
30 HB3 LEU 4 HB3 LEU 4 14.416 8.802 -5.059
31 HG LEU 4 HG LEU 4 11.631 7.979 -4.103
32 HD11 LEU 4 HD11 LEU 4 11.154 7.526 -6.472
33 HD12 LEU 4 HD12 LEU 4 12.769 8.122 -6.923
34 HD13 LEU 4 HD13 LEU 4 11.567 9.230 -6.223
35 HD21 LEU 4 HD21 LEU 4 12.106 5.779 -5.110
36 HD22 LEU 4 HD22 LEU 4 13.238 6.134 -3.798
37 HD23 LEU 4 HD23 LEU 4 13.765 6.302 -5.484
38 H LEU 5 H LEU 5 15.502 8.644 -0.814
39 HA LEU 5 HA LEU 5 17.815 7.361 -1.955
40 HB2 LEU 5 HB2 LEU 5 17.226 7.726 0.969
41 HB3 LEU 5 HB3 LEU 5 18.609 7.305 0.419
42 HG LEU 5 HG LEU 5 17.343 9.974 -0.331
43 HD11 LEU 5 HD11 LEU 5 17.945 9.823 2.051
44 HD12 LEU 5 HD12 LEU 5 19.009 10.941 1.185
45 HD13 LEU 5 HD13 LEU 5 19.591 9.316 1.611
46 HD21 LEU 5 HD21 LEU 5 18.915 9.274 -2.075
47 HD22 LEU 5 HD22 LEU 5 20.144 8.882 -0.848
48 HD23 LEU 5 HD23 LEU 5 19.632 10.565 -1.112
49 H ASP 6 H ASP 6 15.095 6.035 -0.117
50 HA ASP 6 HA ASP 6 15.957 3.294 -0.878
51 HB2 ASP 6 HB2 ASP 6 16.689 4.050 1.584
52 HB3 ASP 6 HB3 ASP 6 15.231 3.999 1.988
53 H ALA 7 H ALA 7 13.486 5.444 -0.968
54 HA ALA 7 HA ALA 7 11.211 4.132 0.033
55 HB1 ALA 7 HB1 ALA 7 9.957 5.636 -1.428
56 HB2 ALA 7 HB2 ALA 7 11.287 6.492 -0.628
57 HB3 ALA 7 HB3 ALA 7 11.424 6.020 -2.340
58 H NLE 8 H NLE 8 12.856 3.624 -3.077
59 HA NLE 8 HA NLE 8 10.888 2.171 -4.417
60 HB2 NLE 8 HB2 NLE 8 12.496 1.483 -5.932
61 HB3 NLE 8 HB3 NLE 8 13.021 3.059 -5.393
62 HG2 NLE 8 HG2 NLE 8 14.166 0.356 -4.536
63 HG3 NLE 8 HG3 NLE 8 14.871 1.450 -5.706
64 HD2 NLE 8 HD2 NLE 8 14.594 2.009 -2.725
65 HD3 NLE 8 HD3 NLE 8 16.054 1.508 -3.568
66 HE1 NLE 8 HE1 NLE 8 15.967 3.602 -4.945
67 HE2 NLE 8 HE2 NLE 8 14.580 4.144 -3.970
68 HE3 NLE 8 HE3 NLE 8 16.160 3.900 -3.209
69 H ARG 9 H ARG 9 12.708 1.073 -1.685
70 HA ARG 9 HA ARG 9 11.741 -1.753 -2.052
71 HB2 ARG 9 HB2 ARG 9 13.541 -0.846 0.163
72 HB3 ARG 9 HB3 ARG 9 13.154 -2.310 -0.155
73 HG2 ARG 9 HG2 ARG 9 14.351 -1.888 -2.515
74 HG3 ARG 9 HG3 ARG 9 14.866 -0.565 -1.974
75 HD2 ARG 9 HD2 ARG 9 15.691 -3.191 -0.733
76 HD3 ARG 9 HD3 ARG 9 16.588 -2.236 -1.541
77 HE ARG 9 HE ARG 9 16.139 -0.445 0.298
78 HH11 ARG 9 HH11 ARG 9 16.420 -3.871 1.024
79 HH12 ARG 9 HH12 ARG 9 16.697 -3.557 2.717
80 HH21 ARG 9 HH21 ARG 9 16.309 -0.138 2.413
81 HH22 ARG 9 HH22 ARG 9 16.702 -1.474 3.481
82 H ARG 10 H ARG 10 11.960 0.620 0.598
83 HA ARG 10 HA ARG 10 10.081 -0.803 2.221
84 HB2 ARG 10 HB2 ARG 10 10.808 0.740 3.873
85 HB3 ARG 10 HB3 ARG 10 12.047 0.482 3.008
86 HG2 ARG 10 HG2 ARG 10 11.118 2.732 1.692
87 HG3 ARG 10 HG3 ARG 10 10.352 2.992 2.971
88 HD2 ARG 10 HD2 ARG 10 13.367 2.821 2.936
89 HD3 ARG 10 HD3 ARG 10 12.531 4.109 3.099
90 HE ARG 10 HE ARG 10 11.620 3.228 5.270
91 HH11 ARG 10 HH11 ARG 10 14.694 1.834 4.131
92 HH12 ARG 10 HH12 ARG 10 15.155 1.449 5.766
93 HH21 ARG 10 HH21 ARG 10 12.324 2.646 7.267
94 HH22 ARG 10 HH22 ARG 10 13.868 1.872 7.465
95 H GLU 11 H GLU 11 9.465 1.687 -0.069
96 HA GLU 11 HA GLU 11 6.610 1.897 0.860
97 HB2 GLU 11 HB2 GLU 11 8.150 3.975 -0.673
98 HB3 GLU 11 HB3 GLU 11 6.639 4.056 -0.478
99 HG2 GLU 11 HG2 GLU 11 6.807 4.280 1.963
100 HG3 GLU 11 HG3 GLU 11 8.184 3.645 2.082
101 H GLY 12 H GLY 12 8.772 1.293 -1.915
102 HA2 GLY 12 HA2 GLY 12 6.860 0.802 -3.939
103 HA3 GLY 12 HA3 GLY 12 8.406 -0.039 -3.754
104 H ALA 13 H ALA 13 7.993 -1.438 -1.325
105 HA ALA 13 HA ALA 13 6.261 -3.611 -2.039
106 HB1 ALA 13 HB1 ALA 13 8.252 -3.867 -0.622
107 HB2 ALA 13 HB2 ALA 13 7.504 -2.857 0.638
108 HB3 ALA 13 HB3 ALA 13 6.796 -4.433 0.219
109 H NLE 14 H NLE 14 5.814 -0.885 0.230
110 HA NLE 14 HA NLE 14 3.306 -1.681 1.286
111 HB2 NLE 14 HB2 NLE 14 4.902 0.051 2.173
112 HB3 NLE 14 HB3 NLE 14 4.301 1.170 0.938
113 HG2 NLE 14 HG2 NLE 14 2.001 0.930 1.867
114 HG3 NLE 14 HG3 NLE 14 2.616 -0.172 3.104
115 HD2 NLE 14 HD2 NLE 14 3.433 2.752 2.758
116 HD3 NLE 14 HD3 NLE 14 2.260 2.142 3.928
117 HE1 NLE 14 HE1 NLE 14 4.365 2.510 5.064
118 HE2 NLE 14 HE2 NLE 14 4.071 0.761 4.987
119 HE3 NLE 14 HE3 NLE 14 5.247 1.526 3.888
120 H ASP 15 H ASP 15 4.104 0.203 -1.626
121 HA ASP 15 HA ASP 15 1.485 0.944 -2.415
122 HB2 ASP 15 HB2 ASP 15 3.815 1.681 -3.365
123 HB3 ASP 15 HB3 ASP 15 3.915 0.391 -4.153
124 H PHE 16 H PHE 16 2.915 -2.251 -2.539
125 HA PHE 16 HA PHE 16 0.545 -3.151 -4.126
126 HB2 PHE 16 HB2 PHE 16 1.783 -4.918 -5.024
127 HB3 PHE 16 HB3 PHE 16 2.506 -3.579 -5.384
128 HD1 PHE 16 HD1 PHE 16 2.714 -6.235 -2.679
129 HD2 PHE 16 HD2 PHE 16 4.834 -3.555 -5.316
130 HE1 PHE 16 HE1 PHE 16 4.866 -7.255 -1.993
131 HE2 PHE 16 HE2 PHE 16 6.978 -4.616 -4.665
132 HZ PHE 16 HZ PHE 16 7.000 -6.463 -2.995
133 H TRP 17 H TRP 17 1.990 -3.366 -0.977
134 HA TRP 17 HA TRP 17 0.231 -5.509 -0.048
135 HB2 TRP 17 HB2 TRP 17 2.123 -4.566 1.343
136 HB3 TRP 17 HB3 TRP 17 1.529 -3.142 1.347
137 HD1 TRP 17 HD1 TRP 17 -0.025 -2.436 3.240
138 HE1 TRP 17 HE1 TRP 17 -1.250 -3.598 5.175
139 HE3 TRP 17 HE3 TRP 17 0.830 -7.318 1.929
140 HZ2 TRP 17 HZ2 TRP 17 -1.779 -6.295 6.052
141 HZ3 TRP 17 HZ3 TRP 17 -0.033 -9.166 3.351
142 HH2 TRP 17 HH2 TRP 17 -1.308 -8.665 5.422
143 H SER 18 H SER 18 -0.052 -1.916 -0.009
144 HA SER 18 HA SER 18 -2.721 -1.830 0.966
145 HB2 SER 18 HB2 SER 18 -2.535 0.583 0.377
146 HB3 SER 18 HB3 SER 18 -1.270 0.092 1.112
147 HG SER 18 HG SER 18 -0.092 0.060 -0.732
148 H ALA 19 H ALA 19 -1.655 -2.548 -2.263
149 HA ALA 19 HA ALA 19 -4.054 -1.946 -3.698
150 HB1 ALA 19 HB1 ALA 19 -1.845 -2.371 -4.737
151 HB2 ALA 19 HB2 ALA 19 -1.934 -4.073 -4.220
152 HB3 ALA 19 HB3 ALA 19 -3.099 -3.435 -5.396
153 H GLY 20 H GLY 20 -3.488 -4.417 -1.336
154 HA2 GLY 20 HA2 GLY 20 -6.156 -5.636 -1.940
155 HA3 GLY 20 HA3 GLY 20 -4.736 -6.673 -1.808
156 H ABA 21 H ABU 21 -3.779 -4.764 0.427
157 HA ABA 21 HA ABU 21 -3.549 -4.937 2.646
158 HB3 ABA 21 HB3 ABU 21 -6.425 -3.987 2.564
159 HB2 ABA 21 HB2 ABU 21 -5.025 -3.005 2.119
160 HG1 ABA 21 HG1 ABU 21 -5.676 -2.520 4.414
161 HG3 ABA 21 HG3 ABU 21 -4.083 -3.304 4.402
162 HG2 ABA 21 HG2 ABU 21 -5.534 -4.228 4.863
163 H TYR 22 H TYR 22 -3.140 -6.960 3.314
164 HA TYR 22 HA TYR 22 -3.326 -9.033 4.131
165 HB2 TYR 22 HB2 TYR 22 -6.155 -8.655 4.966
166 HB3 TYR 22 HB3 TYR 22 -5.201 -9.801 5.447
167 HD1 TYR 22 HD1 TYR 22 -3.246 -9.426 6.951
168 HD2 TYR 22 HD2 TYR 22 -6.086 -6.320 6.000
169 HE1 TYR 22 HE1 TYR 22 -2.508 -8.134 8.954
170 HE2 TYR 22 HE2 TYR 22 -5.346 -5.030 7.998
171 HH TYR 22 HH TYR 22 -3.961 -4.978 9.826
172 H ALA 23 H ALA 23 -4.116 -8.327 1.315
173 HA ALA 23 HA ALA 23 -5.090 -9.162 -0.556
174 HB1 ALA 23 HB1 ALA 23 -4.580 -11.496 -1.040
175 HB2 ALA 23 HB2 ALA 23 -3.219 -10.721 -0.208
176 HB3 ALA 23 HB3 ALA 23 -4.295 -11.822 0.683
177 H ARG 24 H ARG 24 -6.940 -8.352 1.101
178 HA ARG 24 HA ARG 24 -9.175 -10.346 1.266
179 HB2 ARG 24 HB2 ARG 24 -8.067 -9.815 3.377
180 HB3 ARG 24 HB3 ARG 24 -8.084 -8.243 3.157
181 HG2 ARG 24 HG2 ARG 24 -9.761 -8.759 4.806
182 HG3 ARG 24 HG3 ARG 24 -10.364 -7.984 3.639
183 HD2 ARG 24 HD2 ARG 24 -11.177 -10.382 2.726
184 HD3 ARG 24 HD3 ARG 24 -10.628 -10.993 4.022
185 HE ARG 24 HE ARG 24 -12.442 -10.208 5.231
186 HH11 ARG 24 HH11 ARG 24 -12.214 -8.176 2.368
187 HH12 ARG 24 HH12 ARG 24 -13.746 -7.393 2.697
188 HH21 ARG 24 HH21 ARG 24 -14.364 -9.094 5.605
189 HH22 ARG 24 HH22 ARG 24 -14.869 -7.868 4.470
190 H GLY 25 H GLY 25 -8.466 -8.260 -0.841
191 HA2 GLY 25 HA2 GLY 25 -9.788 -7.124 -2.370
192 HA3 GLY 25 HA3 GLY 25 -11.197 -7.370 -1.336
193 H VAL 26 H VAL 26 -8.326 -5.855 -0.021
194 HA VAL 26 HA VAL 26 -8.110 -3.952 1.160
195 HB VAL 26 HB VAL 26 -7.085 -3.405 -0.839
196 HG11 VAL 26 HG11 VAL 26 -9.669 -2.226 -1.908
197 HG12 VAL 26 HG12 VAL 26 -8.057 -2.032 -2.624
198 HG13 VAL 26 HG13 VAL 26 -8.789 -3.634 -2.539
199 HG21 VAL 26 HG21 VAL 26 -8.576 -0.939 0.094
200 HG22 VAL 26 HG22 VAL 26 -7.200 -1.692 0.940
201 HG23 VAL 26 HG23 VAL 26 -6.992 -1.016 -0.682
202 HA PRO 27 HA PRO 27 -12.483 -4.070 2.417
203 HB2 PRO 27 HB2 PRO 27 -11.457 -3.082 5.028
204 HB3 PRO 27 HB3 PRO 27 -12.523 -4.050 4.783
205 HG2 PRO 27 HG2 PRO 27 -10.261 -5.397 5.028
206 HG3 PRO 27 HG3 PRO 27 -11.205 -5.851 3.935
207 HD2 PRO 27 HD2 PRO 27 -8.753 -4.328 3.212
208 HD3 PRO 27 HD3 PRO 27 -9.414 -5.468 2.500
209 H LEU 28 H LEU 28 -10.592 -1.082 3.162
210 HA LEU 28 HA LEU 28 -12.878 0.597 3.376
211 HB2 LEU 28 HB2 LEU 28 -11.322 2.369 3.485
212 HB3 LEU 28 HB3 LEU 28 -10.882 1.207 4.465
213 HG LEU 28 HG LEU 28 -9.007 2.345 3.430
214 HD11 LEU 28 HD11 LEU 28 -8.963 -0.540 2.497
215 HD12 LEU 28 HD12 LEU 28 -8.756 -0.018 4.192
216 HD13 LEU 28 HD13 LEU 28 -7.605 0.495 2.950
217 HD21 LEU 28 HD21 LEU 28 -9.980 2.758 1.179
218 HD22 LEU 28 HD22 LEU 28 -9.712 1.045 0.786
219 HD23 LEU 28 HD23 LEU 28 -8.337 2.095 1.150
220 H SER 29 H SER 29 -11.702 -0.763 0.544
221 HA SER 29 HA SER 29 -13.393 1.046 -1.118
222 HB2 SER 29 HB2 SER 29 -10.712 0.004 -2.060
223 HB3 SER 29 HB3 SER 29 -11.758 0.664 -2.988
224 HG SER 29 HG SER 29 -10.235 2.170 -2.156
225 H GLU 30 H GLU 30 -13.321 -1.950 0.124
226 HA GLU 30 HA GLU 30 -13.851 -3.675 -2.121
227 HB2 GLU 30 HB2 GLU 30 -13.425 -4.149 0.505
228 HB3 GLU 30 HB3 GLU 30 -14.944 -3.950 0.671
229 HG2 GLU 30 HG2 GLU 30 -15.081 -5.835 -1.275
230 HG3 GLU 30 HG3 GLU 30 -13.610 -6.108 -0.983
231 HA PRO 31 HA PRO 31 -17.871 -2.132 -3.284
232 HB2 PRO 31 HB2 PRO 31 -18.873 -4.843 -3.915
233 HB3 PRO 31 HB3 PRO 31 -18.976 -3.618 -4.714
234 HG2 PRO 31 HG2 PRO 31 -16.826 -4.960 -5.498
235 HG3 PRO 31 HG3 PRO 31 -16.707 -3.452 -5.424
236 HD2 PRO 31 HD2 PRO 31 -15.445 -5.127 -3.307
237 HD3 PRO 31 HD3 PRO 31 -14.942 -3.880 -3.972
238 HA PRO 32 HA PRO 32 -20.806 -4.170 0.017
239 HB2 PRO 32 HB2 PRO 32 -19.112 -5.405 2.074
240 HB3 PRO 32 HB3 PRO 32 -20.404 -5.861 1.572
241 HG2 PRO 32 HG2 PRO 32 -18.500 -7.238 0.341
242 HG3 PRO 32 HG3 PRO 32 -19.663 -6.798 -0.509
243 HD2 PRO 32 HD2 PRO 32 -17.098 -5.220 -0.622
244 HD3 PRO 32 HD3 PRO 32 -17.893 -5.765 -1.735
245 H GLN 33 H GLN 33 -17.789 -2.483 0.632
246 HA GLN 33 HA GLN 33 -19.068 -0.776 2.733
247 HB2 GLN 33 HB2 GLN 33 -16.165 -1.001 2.017
248 HB3 GLN 33 HB3 GLN 33 -16.707 0.122 2.969
249 HG2 GLN 33 HG2 GLN 33 -16.224 -1.434 4.619
250 HG3 GLN 33 HG3 GLN 33 -17.728 -1.594 4.540
251 HE21 GLN 33 HE21 GLN 33 -14.884 -3.024 2.849
252 HE22 GLN 33 HE22 GLN 33 -15.489 -4.678 2.847
253 H ALA 34 H ALA 34 -18.818 -0.844 -0.567
254 HA ALA 34 HA ALA 34 -18.822 0.650 -2.261
255 HB1 ALA 34 HB1 ALA 34 -20.694 2.015 -0.295
256 HB2 ALA 34 HB2 ALA 34 -20.736 2.150 -2.067
257 HB3 ALA 34 HB3 ALA 34 -21.080 0.594 -1.294
258 H LEU 35 H LEU 35 -16.471 1.157 -0.887
259 HA LEU 35 HA LEU 35 -14.757 2.606 -0.642
260 HB2 LEU 35 HB2 LEU 35 -16.102 4.285 -2.710
261 HB3 LEU 35 HB3 LEU 35 -14.624 4.547 -2.195
262 HG LEU 35 HG LEU 35 -13.836 2.330 -2.999
263 HD11 LEU 35 HD11 LEU 35 -15.204 1.240 -4.817
264 HD12 LEU 35 HD12 LEU 35 -16.606 2.189 -4.274
265 HD13 LEU 35 HD13 LEU 35 -15.846 0.980 -3.206
266 HD21 LEU 35 HD21 LEU 35 -13.785 3.028 -5.356
267 HD22 LEU 35 HD22 LEU 35 -13.550 4.413 -4.283
268 HD23 LEU 35 HD23 LEU 35 -15.127 4.159 -5.064
269 HN1 NH2 36 H1 NHE 36 -17.237 3.061 1.141
270 HN2 NH2 36 H2 NHE 36 -16.892 4.632 1.840
Start of MODEL 3
1 H1 ARG 1 H1 ARG 1 6.982 11.849 -4.890
2 H2 ARG 1 H2 ARG 1 6.758 10.380 -4.205
3 H3 ARG 1 H3 ARG 1 7.611 10.519 -5.597
4 HA ARG 1 HA ARG 1 8.434 11.650 -3.001
5 HB2 ARG 1 HB2 ARG 1 9.367 9.135 -4.354
6 HB3 ARG 1 HB3 ARG 1 10.424 9.899 -3.529
7 HG2 ARG 1 HG2 ARG 1 7.944 8.824 -2.219
8 HG3 ARG 1 HG3 ARG 1 9.343 8.167 -2.167
9 HD2 ARG 1 HD2 ARG 1 10.174 10.515 -1.118
10 HD3 ARG 1 HD3 ARG 1 8.702 10.891 -0.977
11 HE ARG 1 HE ARG 1 8.777 8.318 0.174
12 HH11 ARG 1 HH11 ARG 1 10.056 11.510 0.912
13 HH12 ARG 1 HH12 ARG 1 10.372 11.082 2.570
14 HH21 ARG 1 HH21 ARG 1 9.385 7.808 2.186
15 HH22 ARG 1 HH22 ARG 1 9.934 9.046 3.308
16 H ASP 2 H ASP 2 10.432 12.689 -2.930
17 HA ASP 2 HA ASP 2 11.547 13.598 -5.551
18 HB2 ASP 2 HB2 ASP 2 10.455 15.351 -4.051
19 HB3 ASP 2 HB3 ASP 2 11.372 15.048 -2.896
20 HA PRO 3 HA PRO 3 15.499 12.719 -3.077
21 HB2 PRO 3 HB2 PRO 3 15.621 11.663 -0.634
22 HB3 PRO 3 HB3 PRO 3 15.343 13.142 -0.830
23 HG2 PRO 3 HG2 PRO 3 13.113 11.296 -0.134
24 HG3 PRO 3 HG3 PRO 3 13.378 12.626 0.407
25 HD2 PRO 3 HD2 PRO 3 11.676 12.761 -1.688
26 HD3 PRO 3 HD3 PRO 3 12.640 13.918 -1.409
27 H LEU 4 H LEU 4 13.035 10.207 -2.563
28 HA LEU 4 HA LEU 4 12.960 7.973 -2.887
29 HB2 LEU 4 HB2 LEU 4 13.126 9.357 -5.318
30 HB3 LEU 4 HB3 LEU 4 14.145 8.296 -5.616
31 HG LEU 4 HG LEU 4 11.352 7.571 -4.605
32 HD11 LEU 4 HD11 LEU 4 11.291 8.695 -6.795
33 HD12 LEU 4 HD12 LEU 4 10.856 6.985 -6.940
34 HD13 LEU 4 HD13 LEU 4 12.475 7.532 -7.434
35 HD21 LEU 4 HD21 LEU 4 11.794 5.310 -5.479
36 HD22 LEU 4 HD22 LEU 4 12.941 5.728 -4.201
37 HD23 LEU 4 HD23 LEU 4 13.455 5.786 -5.898
38 H LEU 5 H LEU 5 15.331 8.501 -1.434
39 HA LEU 5 HA LEU 5 17.594 7.093 -2.540
40 HB2 LEU 5 HB2 LEU 5 17.156 7.815 0.344
41 HB3 LEU 5 HB3 LEU 5 18.508 7.314 -0.218
42 HG LEU 5 HG LEU 5 17.218 9.888 -1.213
43 HD11 LEU 5 HD11 LEU 5 17.954 10.005 1.134
44 HD12 LEU 5 HD12 LEU 5 18.970 11.005 0.084
45 HD13 LEU 5 HD13 LEU 5 19.570 9.434 0.662
46 HD21 LEU 5 HD21 LEU 5 18.679 8.974 -2.951
47 HD22 LEU 5 HD22 LEU 5 19.975 8.703 -1.759
48 HD23 LEU 5 HD23 LEU 5 19.464 10.353 -2.184
49 H ASP 6 H ASP 6 14.955 6.005 -0.473
50 HA ASP 6 HA ASP 6 15.791 3.190 -0.944
51 HB2 ASP 6 HB2 ASP 6 16.516 4.199 1.432
52 HB3 ASP 6 HB3 ASP 6 15.054 4.206 1.827
53 H ALA 7 H ALA 7 13.341 5.387 -1.184
54 HA ALA 7 HA ALA 7 11.057 4.159 -0.101
55 HB1 ALA 7 HB1 ALA 7 9.822 5.601 -1.663
56 HB2 ALA 7 HB2 ALA 7 11.151 6.479 -0.886
57 HB3 ALA 7 HB3 ALA 7 11.307 5.921 -2.570
58 H NLE 8 H NLE 8 12.685 3.465 -3.189
59 HA NLE 8 HA NLE 8 10.669 2.012 -4.454
60 HB2 NLE 8 HB2 NLE 8 12.242 1.232 -5.958
61 HB3 NLE 8 HB3 NLE 8 12.826 2.806 -5.475
62 HG2 NLE 8 HG2 NLE 8 13.884 0.091 -4.546
63 HG3 NLE 8 HG3 NLE 8 14.617 1.124 -5.751
64 HD2 NLE 8 HD2 NLE 8 14.381 1.790 -2.785
65 HD3 NLE 8 HD3 NLE 8 15.814 1.199 -3.619
66 HE1 NLE 8 HE1 NLE 8 15.799 3.246 -5.069
67 HE2 NLE 8 HE2 NLE 8 14.448 3.877 -4.100
68 HE3 NLE 8 HE3 NLE 8 16.023 3.592 -3.347
69 H ARG 9 H ARG 9 12.570 0.945 -1.738
70 HA ARG 9 HA ARG 9 11.657 -1.894 -2.022
71 HB2 ARG 9 HB2 ARG 9 13.270 -0.801 0.260
72 HB3 ARG 9 HB3 ARG 9 12.932 -2.290 0.030
73 HG2 ARG 9 HG2 ARG 9 14.240 -2.005 -2.298
74 HG3 ARG 9 HG3 ARG 9 14.719 -0.650 -1.810
75 HD2 ARG 9 HD2 ARG 9 15.481 -3.192 -0.363
76 HD3 ARG 9 HD3 ARG 9 16.417 -2.295 -1.193
77 HE ARG 9 HE ARG 9 15.910 -0.383 0.492
78 HH11 ARG 9 HH11 ARG 9 16.075 -3.749 1.483
79 HH12 ARG 9 HH12 ARG 9 16.299 -3.313 3.156
80 HH21 ARG 9 HH21 ARG 9 16.033 0.083 2.573
81 HH22 ARG 9 HH22 ARG 9 16.333 -1.176 3.759
82 H ARG 10 H ARG 10 11.565 0.577 0.545
83 HA ARG 10 HA ARG 10 9.594 -0.883 2.044
84 HB2 ARG 10 HB2 ARG 10 10.024 0.815 3.694
85 HB3 ARG 10 HB3 ARG 10 11.376 0.372 3.071
86 HG2 ARG 10 HG2 ARG 10 10.762 2.627 1.497
87 HG3 ARG 10 HG3 ARG 10 10.004 3.030 2.735
88 HD2 ARG 10 HD2 ARG 10 12.973 2.437 2.837
89 HD3 ARG 10 HD3 ARG 10 12.349 3.847 2.837
90 HE ARG 10 HE ARG 10 11.095 3.063 5.018
91 HH11 ARG 10 HH11 ARG 10 14.418 2.135 4.179
92 HH12 ARG 10 HH12 ARG 10 14.852 2.015 5.863
93 HH21 ARG 10 HH21 ARG 10 11.767 2.835 7.107
94 HH22 ARG 10 HH22 ARG 10 13.407 2.381 7.456
95 H GLU 11 H GLU 11 9.245 2.154 0.194
96 HA GLU 11 HA GLU 11 6.334 2.243 0.753
97 HB2 GLU 11 HB2 GLU 11 7.991 4.100 -0.942
98 HB3 GLU 11 HB3 GLU 11 6.478 4.244 -0.825
99 HG2 GLU 11 HG2 GLU 11 6.544 4.652 1.609
100 HG3 GLU 11 HG3 GLU 11 7.922 4.040 1.827
101 H GLY 12 H GLY 12 8.538 1.289 -1.866
102 HA2 GLY 12 HA2 GLY 12 6.674 0.638 -3.896
103 HA3 GLY 12 HA3 GLY 12 8.187 -0.222 -3.572
104 H ALA 13 H ALA 13 7.743 -1.406 -1.093
105 HA ALA 13 HA ALA 13 5.971 -3.575 -1.602
106 HB1 ALA 13 HB1 ALA 13 7.920 -3.742 -0.129
107 HB2 ALA 13 HB2 ALA 13 7.183 -2.598 1.016
108 HB3 ALA 13 HB3 ALA 13 6.439 -4.187 0.740
109 H NLE 14 H NLE 14 5.498 -0.707 0.549
110 HA NLE 14 HA NLE 14 2.884 -1.392 1.408
111 HB2 NLE 14 HB2 NLE 14 4.231 1.303 1.100
112 HB3 NLE 14 HB3 NLE 14 2.614 1.101 1.784
113 HG2 NLE 14 HG2 NLE 14 3.505 -0.462 3.491
114 HG3 NLE 14 HG3 NLE 14 5.140 -0.203 2.891
115 HD2 NLE 14 HD2 NLE 14 3.317 1.937 4.080
116 HD3 NLE 14 HD3 NLE 14 4.628 1.111 4.925
117 HE1 NLE 14 HE1 NLE 14 6.266 2.078 3.296
118 HE2 NLE 14 HE2 NLE 14 4.932 2.996 2.549
119 HE3 NLE 14 HE3 NLE 14 5.392 3.306 4.230
120 H ASP 15 H ASP 15 3.887 0.279 -1.584
121 HA ASP 15 HA ASP 15 1.299 1.017 -2.488
122 HB2 ASP 15 HB2 ASP 15 3.657 1.686 -3.419
123 HB3 ASP 15 HB3 ASP 15 3.764 0.359 -4.137
124 H PHE 16 H PHE 16 2.687 -2.192 -2.411
125 HA PHE 16 HA PHE 16 0.327 -3.147 -3.985
126 HB2 PHE 16 HB2 PHE 16 1.582 -4.961 -4.805
127 HB3 PHE 16 HB3 PHE 16 2.281 -3.634 -5.230
128 HD1 PHE 16 HD1 PHE 16 2.534 -6.191 -2.444
129 HD2 PHE 16 HD2 PHE 16 4.609 -3.502 -5.105
130 HE1 PHE 16 HE1 PHE 16 4.706 -7.120 -1.695
131 HE2 PHE 16 HE2 PHE 16 6.778 -4.462 -4.379
132 HZ PHE 16 HZ PHE 16 6.832 -6.272 -2.671
133 H TRP 17 H TRP 17 1.831 -3.295 -0.844
134 HA TRP 17 HA TRP 17 0.112 -5.412 0.176
135 HB2 TRP 17 HB2 TRP 17 2.048 -4.385 1.468
136 HB3 TRP 17 HB3 TRP 17 1.385 -2.989 1.490
137 HD1 TRP 17 HD1 TRP 17 -0.153 -2.354 3.427
138 HE1 TRP 17 HE1 TRP 17 -1.193 -3.564 5.439
139 HE3 TRP 17 HE3 TRP 17 0.976 -7.186 2.138
140 HZ2 TRP 17 HZ2 TRP 17 -1.466 -6.273 6.388
141 HZ3 TRP 17 HZ3 TRP 17 0.327 -9.063 3.633
142 HH2 TRP 17 HH2 TRP 17 -0.862 -8.616 5.768
143 H SER 18 H SER 18 -0.238 -1.815 0.096
144 HA SER 18 HA SER 18 -2.875 -1.760 1.169
145 HB2 SER 18 HB2 SER 18 -2.783 0.628 0.497
146 HB3 SER 18 HB3 SER 18 -1.459 0.209 1.167
147 HG SER 18 HG SER 18 -0.399 0.155 -0.740
148 H ALA 19 H ALA 19 -1.887 -2.561 -2.074
149 HA ALA 19 HA ALA 19 -4.366 -2.093 -3.427
150 HB1 ALA 19 HB1 ALA 19 -2.175 -2.454 -4.540
151 HB2 ALA 19 HB2 ALA 19 -2.190 -4.151 -3.996
152 HB3 ALA 19 HB3 ALA 19 -3.419 -3.569 -5.132
153 H GLY 20 H GLY 20 -3.612 -4.453 -1.012
154 HA2 GLY 20 HA2 GLY 20 -6.220 -5.838 -1.512
155 HA3 GLY 20 HA3 GLY 20 -4.741 -6.783 -1.365
156 H ABA 21 H ABU 21 -3.863 -4.749 0.785
157 HA ABA 21 HA ABU 21 -3.559 -4.843 2.989
158 HB3 ABA 21 HB3 ABU 21 -6.496 -4.117 3.040
159 HB2 ABA 21 HB2 ABU 21 -5.218 -3.042 2.459
160 HG1 ABA 21 HG1 ABU 21 -5.751 -2.519 4.779
161 HG3 ABA 21 HG3 ABU 21 -4.100 -3.163 4.676
162 HG2 ABA 21 HG2 ABU 21 -5.426 -4.190 5.275
163 H TYR 22 H TYR 22 -2.990 -6.732 3.873
164 HA TYR 22 HA TYR 22 -3.009 -8.829 4.675
165 HB2 TYR 22 HB2 TYR 22 -5.821 -8.576 5.616
166 HB3 TYR 22 HB3 TYR 22 -4.791 -9.646 6.097
167 HD1 TYR 22 HD1 TYR 22 -2.808 -9.113 7.518
168 HD2 TYR 22 HD2 TYR 22 -5.818 -6.185 6.534
169 HE1 TYR 22 HE1 TYR 22 -2.057 -7.697 9.430
170 HE2 TYR 22 HE2 TYR 22 -5.063 -4.766 8.440
171 HH TYR 22 HH TYR 22 -3.614 -4.562 10.206
172 H ALA 23 H ALA 23 -3.874 -8.266 1.893
173 HA ALA 23 HA ALA 23 -4.870 -9.134 0.062
174 HB1 ALA 23 HB1 ALA 23 -4.354 -11.474 -0.387
175 HB2 ALA 23 HB2 ALA 23 -2.994 -10.685 0.427
176 HB3 ALA 23 HB3 ALA 23 -4.064 -11.772 1.340
177 H ARG 24 H ARG 24 -6.697 -8.486 2.108
178 HA ARG 24 HA ARG 24 -8.835 -10.545 2.155
179 HB2 ARG 24 HB2 ARG 24 -8.015 -9.357 4.202
180 HB3 ARG 24 HB3 ARG 24 -8.323 -7.926 3.623
181 HG2 ARG 24 HG2 ARG 24 -10.130 -8.422 5.128
182 HG3 ARG 24 HG3 ARG 24 -10.688 -8.146 3.733
183 HD2 ARG 24 HD2 ARG 24 -10.779 -10.821 3.441
184 HD3 ARG 24 HD3 ARG 24 -10.313 -10.941 4.896
185 HE ARG 24 HE ARG 24 -12.416 -10.358 5.691
186 HH11 ARG 24 HH11 ARG 24 -12.240 -9.214 2.365
187 HH12 ARG 24 HH12 ARG 24 -13.902 -8.670 2.370
188 HH21 ARG 24 HH21 ARG 24 -14.543 -9.632 5.603
189 HH22 ARG 24 HH22 ARG 24 -15.135 -8.910 4.127
190 H GLY 25 H GLY 25 -8.045 -7.929 0.193
191 HA2 GLY 25 HA2 GLY 25 -9.406 -7.374 -1.732
192 HA3 GLY 25 HA3 GLY 25 -10.873 -7.649 -0.794
193 H VAL 26 H VAL 26 -8.148 -5.859 0.512
194 HA VAL 26 HA VAL 26 -8.042 -3.865 1.534
195 HB VAL 26 HB VAL 26 -7.091 -3.408 -0.534
196 HG11 VAL 26 HG11 VAL 26 -9.770 -2.459 -1.597
197 HG12 VAL 26 HG12 VAL 26 -8.192 -2.190 -2.364
198 HG13 VAL 26 HG13 VAL 26 -8.805 -3.832 -2.174
199 HG21 VAL 26 HG21 VAL 26 -8.695 -0.985 0.321
200 HG22 VAL 26 HG22 VAL 26 -7.226 -1.600 1.124
201 HG23 VAL 26 HG23 VAL 26 -7.153 -1.001 -0.538
202 HA PRO 27 HA PRO 27 -12.438 -4.050 2.851
203 HB2 PRO 27 HB2 PRO 27 -11.350 -3.051 5.427
204 HB3 PRO 27 HB3 PRO 27 -12.423 -4.019 5.210
205 HG2 PRO 27 HG2 PRO 27 -10.163 -5.373 5.442
206 HG3 PRO 27 HG3 PRO 27 -11.112 -5.836 4.363
207 HD2 PRO 27 HD2 PRO 27 -8.679 -4.291 3.604
208 HD3 PRO 27 HD3 PRO 27 -9.314 -5.461 2.924
209 H LEU 28 H LEU 28 -10.439 -1.107 3.453
210 HA LEU 28 HA LEU 28 -12.689 0.647 3.662
211 HB2 LEU 28 HB2 LEU 28 -11.086 2.370 3.758
212 HB3 LEU 28 HB3 LEU 28 -10.679 1.204 4.757
213 HG LEU 28 HG LEU 28 -8.761 2.260 3.748
214 HD11 LEU 28 HD11 LEU 28 -8.830 -0.606 2.753
215 HD12 LEU 28 HD12 LEU 28 -8.586 -0.123 4.455
216 HD13 LEU 28 HD13 LEU 28 -7.427 0.364 3.211
217 HD21 LEU 28 HD21 LEU 28 -9.703 2.773 1.509
218 HD22 LEU 28 HD22 LEU 28 -9.521 1.061 1.071
219 HD23 LEU 28 HD23 LEU 28 -8.094 2.031 1.459
220 H SER 29 H SER 29 -11.526 -0.804 0.871
221 HA SER 29 HA SER 29 -13.132 1.023 -0.853
222 HB2 SER 29 HB2 SER 29 -10.463 -0.122 -1.719
223 HB3 SER 29 HB3 SER 29 -11.474 0.528 -2.689
224 HG SER 29 HG SER 29 -9.935 2.028 -1.878
225 H GLU 30 H GLU 30 -12.897 -2.073 0.337
226 HA GLU 30 HA GLU 30 -13.524 -3.839 -1.717
227 HB2 GLU 30 HB2 GLU 30 -13.292 -4.127 0.920
228 HB3 GLU 30 HB3 GLU 30 -14.785 -3.761 1.022
229 HG2 GLU 30 HG2 GLU 30 -15.102 -5.829 -0.690
230 HG3 GLU 30 HG3 GLU 30 -13.641 -6.185 -0.406
231 HA PRO 31 HA PRO 31 -17.296 -2.346 -3.494
232 HB2 PRO 31 HB2 PRO 31 -18.373 -5.081 -3.862
233 HB3 PRO 31 HB3 PRO 31 -18.329 -3.978 -4.822
234 HG2 PRO 31 HG2 PRO 31 -16.177 -5.485 -5.173
235 HG3 PRO 31 HG3 PRO 31 -15.994 -3.988 -5.294
236 HD2 PRO 31 HD2 PRO 31 -15.025 -5.383 -2.851
237 HD3 PRO 31 HD3 PRO 31 -14.420 -4.238 -3.614
238 HA PRO 32 HA PRO 32 -20.727 -3.746 -0.355
239 HB2 PRO 32 HB2 PRO 32 -19.425 -4.796 2.047
240 HB3 PRO 32 HB3 PRO 32 -20.650 -5.266 1.403
241 HG2 PRO 32 HG2 PRO 32 -18.643 -6.851 0.682
242 HG3 PRO 32 HG3 PRO 32 -19.654 -6.515 -0.378
243 HD2 PRO 32 HD2 PRO 32 -17.035 -5.031 -0.333
244 HD3 PRO 32 HD3 PRO 32 -17.693 -5.705 -1.468
245 H GLN 33 H GLN 33 -17.657 -2.229 0.518
246 HA GLN 33 HA GLN 33 -19.028 -0.203 2.238
247 HB2 GLN 33 HB2 GLN 33 -16.090 -0.641 1.807
248 HB3 GLN 33 HB3 GLN 33 -16.643 0.625 2.549
249 HG2 GLN 33 HG2 GLN 33 -16.359 -0.738 4.417
250 HG3 GLN 33 HG3 GLN 33 -17.864 -0.779 4.254
251 HE21 GLN 33 HE21 GLN 33 -15.017 -2.670 3.136
252 HE22 GLN 33 HE22 GLN 33 -15.807 -4.241 3.176
253 H ALA 34 H ALA 34 -18.189 -0.654 -1.022
254 HA ALA 34 HA ALA 34 -17.888 0.685 -2.822
255 HB1 ALA 34 HB1 ALA 34 -20.155 2.150 -1.426
256 HB2 ALA 34 HB2 ALA 34 -19.822 2.130 -3.173
257 HB3 ALA 34 HB3 ALA 34 -20.299 0.635 -2.349
258 H LEU 35 H LEU 35 -15.870 1.377 -1.095
259 HA LEU 35 HA LEU 35 -14.268 2.887 -0.618
260 HB2 LEU 35 HB2 LEU 35 -15.169 4.505 -2.961
261 HB3 LEU 35 HB3 LEU 35 -13.786 4.669 -2.205
262 HG LEU 35 HG LEU 35 -13.234 2.214 -2.801
263 HD11 LEU 35 HD11 LEU 35 -14.212 1.497 -4.997
264 HD12 LEU 35 HD12 LEU 35 -15.445 2.766 -4.830
265 HD13 LEU 35 HD13 LEU 35 -15.369 1.409 -3.682
266 HD21 LEU 35 HD21 LEU 35 -12.356 2.935 -4.987
267 HD22 LEU 35 HD22 LEU 35 -12.123 4.181 -3.757
268 HD23 LEU 35 HD23 LEU 35 -13.428 4.357 -4.954
269 HN1 NH2 36 H1 NHE 36 -17.102 3.422 0.578
270 HN2 NH2 36 H2 NHE 36 -16.890 5.031 1.245
Start of MODEL 4
1 H1 ARG 1 H1 ARG 1 7.534 12.344 -4.730
2 H2 ARG 1 H2 ARG 1 7.193 10.878 -4.083
3 H3 ARG 1 H3 ARG 1 8.017 10.988 -5.496
4 HA ARG 1 HA ARG 1 9.014 11.949 -2.895
5 HB2 ARG 1 HB2 ARG 1 9.719 9.424 -4.375
6 HB3 ARG 1 HB3 ARG 1 10.829 10.058 -3.514
7 HG2 ARG 1 HG2 ARG 1 8.272 9.115 -2.256
8 HG3 ARG 1 HG3 ARG 1 9.625 8.372 -2.217
9 HD2 ARG 1 HD2 ARG 1 10.605 10.612 -1.079
10 HD3 ARG 1 HD3 ARG 1 9.159 11.100 -0.951
11 HE ARG 1 HE ARG 1 9.041 8.486 0.123
12 HH11 ARG 1 HH11 ARG 1 10.464 11.589 0.971
13 HH12 ARG 1 HH12 ARG 1 10.678 11.121 2.634
14 HH21 ARG 1 HH21 ARG 1 9.534 7.906 2.140
15 HH22 ARG 1 HH22 ARG 1 10.107 9.087 3.310
16 H ASP 2 H ASP 2 11.322 12.470 -2.927
17 HA ASP 2 HA ASP 2 12.355 13.429 -5.551
18 HB2 ASP 2 HB2 ASP 2 11.251 15.324 -4.229
19 HB3 ASP 2 HB3 ASP 2 12.116 15.091 -3.022
20 HA PRO 3 HA PRO 3 16.189 12.634 -2.860
21 HB2 PRO 3 HB2 PRO 3 16.161 11.753 -0.340
22 HB3 PRO 3 HB3 PRO 3 15.976 13.226 -0.658
23 HG2 PRO 3 HG2 PRO 3 13.618 11.558 0.070
24 HG3 PRO 3 HG3 PRO 3 13.937 12.907 0.531
25 HD2 PRO 3 HD2 PRO 3 12.336 13.002 -1.630
26 HD3 PRO 3 HD3 PRO 3 13.373 14.108 -1.411
27 H LEU 4 H LEU 4 13.569 10.300 -2.357
28 HA LEU 4 HA LEU 4 13.365 8.061 -2.619
29 HB2 LEU 4 HB2 LEU 4 13.782 9.372 -5.053
30 HB3 LEU 4 HB3 LEU 4 14.765 8.258 -5.263
31 HG LEU 4 HG LEU 4 11.872 7.691 -4.447
32 HD11 LEU 4 HD11 LEU 4 12.029 8.784 -6.646
33 HD12 LEU 4 HD12 LEU 4 11.519 7.096 -6.805
34 HD13 LEU 4 HD13 LEU 4 13.196 7.555 -7.184
35 HD21 LEU 4 HD21 LEU 4 12.263 5.395 -5.255
36 HD22 LEU 4 HD22 LEU 4 13.336 5.780 -3.905
37 HD23 LEU 4 HD23 LEU 4 13.972 5.786 -5.561
38 H LEU 5 H LEU 5 15.601 8.410 -0.972
39 HA LEU 5 HA LEU 5 17.857 6.844 -1.874
40 HB2 LEU 5 HB2 LEU 5 17.232 7.620 0.959
41 HB3 LEU 5 HB3 LEU 5 18.594 7.040 0.503
42 HG LEU 5 HG LEU 5 17.527 9.678 -0.588
43 HD11 LEU 5 HD11 LEU 5 18.104 9.772 1.806
44 HD12 LEU 5 HD12 LEU 5 19.245 10.705 0.824
45 HD13 LEU 5 HD13 LEU 5 19.714 9.107 1.448
46 HD21 LEU 5 HD21 LEU 5 19.057 8.670 -2.213
47 HD22 LEU 5 HD22 LEU 5 20.246 8.338 -0.929
48 HD23 LEU 5 HD23 LEU 5 19.860 10.010 -1.396
49 H ASP 6 H ASP 6 14.955 5.948 -0.106
50 HA ASP 6 HA ASP 6 15.674 3.077 -0.426
51 HB2 ASP 6 HB2 ASP 6 16.217 4.064 1.988
52 HB3 ASP 6 HB3 ASP 6 14.733 4.232 2.226
53 H ALA 7 H ALA 7 13.372 5.430 -0.905
54 HA ALA 7 HA ALA 7 10.930 4.313 -0.095
55 HB1 ALA 7 HB1 ALA 7 9.936 5.809 -1.758
56 HB2 ALA 7 HB2 ALA 7 11.218 6.624 -0.847
57 HB3 ALA 7 HB3 ALA 7 11.518 6.064 -2.509
58 H NLE 8 H NLE 8 12.841 3.549 -2.999
59 HA NLE 8 HA NLE 8 10.924 2.101 -4.434
60 HB2 NLE 8 HB2 NLE 8 12.612 1.288 -5.772
61 HB3 NLE 8 HB3 NLE 8 13.198 2.846 -5.244
62 HG2 NLE 8 HG2 NLE 8 14.073 0.105 -4.203
63 HG3 NLE 8 HG3 NLE 8 14.951 1.105 -5.338
64 HD2 NLE 8 HD2 NLE 8 14.447 1.816 -2.417
65 HD3 NLE 8 HD3 NLE 8 15.932 1.153 -3.089
66 HE1 NLE 8 HE1 NLE 8 16.155 3.170 -4.560
67 HE2 NLE 8 HE2 NLE 8 14.736 3.873 -3.749
68 HE3 NLE 8 HE3 NLE 8 16.210 3.540 -2.828
69 H ARG 9 H ARG 9 12.496 1.126 -1.505
70 HA ARG 9 HA ARG 9 11.456 -1.684 -1.758
71 HB2 ARG 9 HB2 ARG 9 13.236 -0.688 0.446
72 HB3 ARG 9 HB3 ARG 9 12.744 -2.143 0.276
73 HG2 ARG 9 HG2 ARG 9 13.967 -2.051 -2.112
74 HG3 ARG 9 HG3 ARG 9 14.605 -0.745 -1.690
75 HD2 ARG 9 HD2 ARG 9 15.140 -3.297 -0.156
76 HD3 ARG 9 HD3 ARG 9 16.120 -2.605 -1.121
77 HE ARG 9 HE ARG 9 15.664 -0.514 0.629
78 HH11 ARG 9 HH11 ARG 9 16.613 -3.851 1.235
79 HH12 ARG 9 HH12 ARG 9 17.372 -3.418 2.744
80 HH21 ARG 9 HH21 ARG 9 16.560 -0.070 2.421
81 HH22 ARG 9 HH22 ARG 9 17.361 -1.277 3.435
82 H ARG 10 H ARG 10 11.589 0.887 0.747
83 HA ARG 10 HA ARG 10 9.596 -0.446 2.313
84 HB2 ARG 10 HB2 ARG 10 10.143 1.195 3.918
85 HB3 ARG 10 HB3 ARG 10 11.464 0.945 3.177
86 HG2 ARG 10 HG2 ARG 10 10.671 3.081 1.684
87 HG3 ARG 10 HG3 ARG 10 9.663 3.362 2.799
88 HD2 ARG 10 HD2 ARG 10 12.635 3.443 3.267
89 HD3 ARG 10 HD3 ARG 10 11.658 4.644 3.271
90 HE ARG 10 HE ARG 10 10.609 3.859 5.332
91 HH11 ARG 10 HH11 ARG 10 13.633 2.136 4.574
92 HH12 ARG 10 HH12 ARG 10 13.829 1.682 6.244
93 HH21 ARG 10 HH21 ARG 10 10.979 3.190 7.394
94 HH22 ARG 10 HH22 ARG 10 12.392 2.248 7.773
95 H GLU 11 H GLU 11 9.226 2.298 0.104
96 HA GLU 11 HA GLU 11 6.317 2.505 0.760
97 HB2 GLU 11 HB2 GLU 11 8.004 4.292 -0.978
98 HB3 GLU 11 HB3 GLU 11 6.490 4.441 -0.918
99 HG2 GLU 11 HG2 GLU 11 6.454 5.030 1.450
100 HG3 GLU 11 HG3 GLU 11 7.746 4.313 1.813
101 H GLY 12 H GLY 12 8.500 1.474 -1.860
102 HA2 GLY 12 HA2 GLY 12 6.620 0.744 -3.840
103 HA3 GLY 12 HA3 GLY 12 8.123 -0.122 -3.480
104 H ALA 13 H ALA 13 7.662 -1.162 -0.938
105 HA ALA 13 HA ALA 13 5.926 -3.366 -1.329
106 HB1 ALA 13 HB1 ALA 13 7.833 -3.393 0.204
107 HB2 ALA 13 HB2 ALA 13 7.046 -2.182 1.244
108 HB3 ALA 13 HB3 ALA 13 6.339 -3.803 1.066
109 H NLE 14 H NLE 14 5.319 -0.364 0.590
110 HA NLE 14 HA NLE 14 2.693 -1.061 1.445
111 HB2 NLE 14 HB2 NLE 14 3.995 1.642 0.976
112 HB3 NLE 14 HB3 NLE 14 2.374 1.444 1.651
113 HG2 NLE 14 HG2 NLE 14 3.293 0.033 3.478
114 HG3 NLE 14 HG3 NLE 14 4.927 0.316 2.882
115 HD2 NLE 14 HD2 NLE 14 2.996 2.466 3.870
116 HD3 NLE 14 HD3 NLE 14 4.306 1.753 4.813
117 HE1 NLE 14 HE1 NLE 14 5.969 2.669 3.198
118 HE2 NLE 14 HE2 NLE 14 4.641 3.452 2.303
119 HE3 NLE 14 HE3 NLE 14 4.993 3.930 3.971
120 H ASP 15 H ASP 15 3.790 0.494 -1.574
121 HA ASP 15 HA ASP 15 1.219 1.110 -2.623
122 HB2 ASP 15 HB2 ASP 15 3.609 1.849 -3.439
123 HB3 ASP 15 HB3 ASP 15 3.780 0.524 -4.146
124 H PHE 16 H PHE 16 2.674 -2.037 -2.319
125 HA PHE 16 HA PHE 16 0.427 -3.106 -3.977
126 HB2 PHE 16 HB2 PHE 16 1.762 -4.897 -4.727
127 HB3 PHE 16 HB3 PHE 16 2.436 -3.556 -5.151
128 HD1 PHE 16 HD1 PHE 16 2.665 -6.037 -2.290
129 HD2 PHE 16 HD2 PHE 16 4.754 -3.372 -4.965
130 HE1 PHE 16 HE1 PHE 16 4.835 -6.880 -1.442
131 HE2 PHE 16 HE2 PHE 16 6.922 -4.247 -4.139
132 HZ PHE 16 HZ PHE 16 6.970 -6.004 -2.376
133 H TRP 17 H TRP 17 1.790 -3.139 -0.770
134 HA TRP 17 HA TRP 17 0.082 -5.293 0.185
135 HB2 TRP 17 HB2 TRP 17 1.915 -4.172 1.568
136 HB3 TRP 17 HB3 TRP 17 1.195 -2.818 1.554
137 HD1 TRP 17 HD1 TRP 17 -0.361 -2.263 3.496
138 HE1 TRP 17 HE1 TRP 17 -1.518 -3.551 5.393
139 HE3 TRP 17 HE3 TRP 17 0.717 -7.046 2.001
140 HZ2 TRP 17 HZ2 TRP 17 -1.955 -6.305 6.145
141 HZ3 TRP 17 HZ3 TRP 17 -0.079 -8.985 3.336
142 HH2 TRP 17 HH2 TRP 17 -1.385 -8.626 5.418
143 H SER 18 H SER 18 -0.380 -1.722 -0.046
144 HA SER 18 HA SER 18 -3.081 -1.698 0.858
145 HB2 SER 18 HB2 SER 18 -3.013 0.651 0.062
146 HB3 SER 18 HB3 SER 18 -1.727 0.311 0.841
147 HG SER 18 HG SER 18 -0.529 0.192 -0.976
148 H ALA 19 H ALA 19 -1.900 -2.760 -2.218
149 HA ALA 19 HA ALA 19 -4.312 -2.390 -3.748
150 HB1 ALA 19 HB1 ALA 19 -2.049 -2.790 -4.714
151 HB2 ALA 19 HB2 ALA 19 -2.091 -4.451 -4.070
152 HB3 ALA 19 HB3 ALA 19 -3.258 -3.944 -5.304
153 H GLY 20 H GLY 20 -3.694 -4.522 -1.102
154 HA2 GLY 20 HA2 GLY 20 -6.256 -5.948 -1.633
155 HA3 GLY 20 HA3 GLY 20 -4.791 -6.918 -1.487
156 H ABA 21 H ABU 21 -3.848 -4.940 0.683
157 HA ABA 21 HA ABU 21 -3.590 -5.119 2.912
158 HB3 ABA 21 HB3 ABU 21 -6.448 -4.117 2.839
159 HB2 ABA 21 HB2 ABU 21 -5.036 -3.163 2.374
160 HG1 ABA 21 HG1 ABU 21 -5.680 -2.663 4.679
161 HG3 ABA 21 HG3 ABU 21 -4.083 -3.435 4.645
162 HG2 ABA 21 HG2 ABU 21 -5.517 -4.369 5.135
163 H TYR 22 H TYR 22 -3.228 -7.209 3.437
164 HA TYR 22 HA TYR 22 -3.433 -9.232 4.382
165 HB2 TYR 22 HB2 TYR 22 -6.291 -8.881 5.109
166 HB3 TYR 22 HB3 TYR 22 -5.332 -9.997 5.651
167 HD1 TYR 22 HD1 TYR 22 -3.206 -9.363 7.015
168 HD2 TYR 22 HD2 TYR 22 -6.563 -6.740 6.324
169 HE1 TYR 22 HE1 TYR 22 -2.619 -8.064 9.064
170 HE2 TYR 22 HE2 TYR 22 -5.991 -5.458 8.379
171 HH TYR 22 HH TYR 22 -4.580 -5.265 10.165
172 H ALA 23 H ALA 23 -4.161 -8.570 1.531
173 HA ALA 23 HA ALA 23 -5.111 -9.427 -0.342
174 HB1 ALA 23 HB1 ALA 23 -4.644 -11.779 -0.778
175 HB2 ALA 23 HB2 ALA 23 -3.279 -11.015 0.057
176 HB3 ALA 23 HB3 ALA 23 -4.384 -12.079 0.954
177 H ARG 24 H ARG 24 -6.959 -8.542 1.246
178 HA ARG 24 HA ARG 24 -9.251 -10.465 1.444
179 HB2 ARG 24 HB2 ARG 24 -8.105 -9.909 3.545
180 HB3 ARG 24 HB3 ARG 24 -8.092 -8.345 3.277
181 HG2 ARG 24 HG2 ARG 24 -9.774 -8.773 4.946
182 HG3 ARG 24 HG3 ARG 24 -10.368 -8.030 3.757
183 HD2 ARG 24 HD2 ARG 24 -11.220 -10.439 2.915
184 HD3 ARG 24 HD3 ARG 24 -10.661 -11.029 4.214
185 HE ARG 24 HE ARG 24 -12.445 -10.194 5.434
186 HH11 ARG 24 HH11 ARG 24 -12.221 -8.215 2.529
187 HH12 ARG 24 HH12 ARG 24 -13.730 -7.391 2.876
188 HH21 ARG 24 HH21 ARG 24 -14.351 -9.060 5.801
189 HH22 ARG 24 HH22 ARG 24 -14.854 -7.844 4.654
190 H GLY 25 H GLY 25 -8.447 -8.383 -0.672
191 HA2 GLY 25 HA2 GLY 25 -9.721 -7.214 -2.218
192 HA3 GLY 25 HA3 GLY 25 -11.147 -7.426 -1.201
193 H VAL 26 H VAL 26 -8.277 -5.968 0.176
194 HA VAL 26 HA VAL 26 -8.080 -4.092 1.400
195 HB VAL 26 HB VAL 26 -6.984 -3.475 -0.520
196 HG11 VAL 26 HG11 VAL 26 -9.548 -2.377 -1.710
197 HG12 VAL 26 HG12 VAL 26 -7.910 -2.086 -2.333
198 HG13 VAL 26 HG13 VAL 26 -8.564 -3.724 -2.313
199 HG21 VAL 26 HG21 VAL 26 -8.575 -1.056 0.374
200 HG22 VAL 26 HG22 VAL 26 -7.211 -1.784 1.261
201 HG23 VAL 26 HG23 VAL 26 -6.967 -1.075 -0.340
202 HA PRO 27 HA PRO 27 -12.452 -4.110 2.666
203 HB2 PRO 27 HB2 PRO 27 -11.394 -3.094 5.249
204 HB3 PRO 27 HB3 PRO 27 -12.473 -4.053 5.025
205 HG2 PRO 27 HG2 PRO 27 -10.225 -5.418 5.287
206 HG3 PRO 27 HG3 PRO 27 -11.180 -5.886 4.209
207 HD2 PRO 27 HD2 PRO 27 -8.719 -4.402 3.443
208 HD3 PRO 27 HD3 PRO 27 -9.387 -5.551 2.756
209 H LEU 28 H LEU 28 -10.504 -1.136 3.348
210 HA LEU 28 HA LEU 28 -12.783 0.580 3.472
211 HB2 LEU 28 HB2 LEU 28 -11.209 2.334 3.620
212 HB3 LEU 28 HB3 LEU 28 -10.829 1.178 4.635
213 HG LEU 28 HG LEU 28 -8.892 2.267 3.683
214 HD11 LEU 28 HD11 LEU 28 -7.505 0.376 3.226
215 HD12 LEU 28 HD12 LEU 28 -8.882 -0.629 2.775
216 HD13 LEU 28 HD13 LEU 28 -8.686 -0.080 4.462
217 HD21 LEU 28 HD21 LEU 28 -9.739 2.707 1.391
218 HD22 LEU 28 HD22 LEU 28 -9.507 0.988 1.006
219 HD23 LEU 28 HD23 LEU 28 -8.117 1.995 1.436
220 H SER 29 H SER 29 -11.538 -0.851 0.714
221 HA SER 29 HA SER 29 -13.115 0.964 -1.044
222 HB2 SER 29 HB2 SER 29 -10.407 -0.124 -1.856
223 HB3 SER 29 HB3 SER 29 -11.403 0.543 -2.835
224 HG SER 29 HG SER 29 -9.892 2.032 -1.952
225 H GLU 30 H GLU 30 -13.301 -1.932 0.273
226 HA GLU 30 HA GLU 30 -13.603 -3.779 -1.903
227 HB2 GLU 30 HB2 GLU 30 -13.745 -3.957 0.868
228 HB3 GLU 30 HB3 GLU 30 -15.258 -3.970 0.588
229 HG2 GLU 30 HG2 GLU 30 -14.644 -5.945 -1.147
230 HG3 GLU 30 HG3 GLU 30 -13.270 -5.994 -0.493
231 HA PRO 31 HA PRO 31 -17.475 -2.256 -3.626
232 HB2 PRO 31 HB2 PRO 31 -18.404 -4.963 -4.312
233 HB3 PRO 31 HB3 PRO 31 -18.340 -3.767 -5.161
234 HG2 PRO 31 HG2 PRO 31 -16.169 -5.243 -5.568
235 HG3 PRO 31 HG3 PRO 31 -16.003 -3.736 -5.574
236 HD2 PRO 31 HD2 PRO 31 -15.097 -5.299 -3.202
237 HD3 PRO 31 HD3 PRO 31 -14.452 -4.133 -3.879
238 HA PRO 32 HA PRO 32 -20.576 -4.308 -0.413
239 HB2 PRO 32 HB2 PRO 32 -18.836 -5.407 1.706
240 HB3 PRO 32 HB3 PRO 32 -20.135 -5.891 1.268
241 HG2 PRO 32 HG2 PRO 32 -18.296 -7.321 0.021
242 HG3 PRO 32 HG3 PRO 32 -19.458 -6.882 -0.825
243 HD2 PRO 32 HD2 PRO 32 -16.871 -5.352 -1.006
244 HD3 PRO 32 HD3 PRO 32 -17.695 -5.907 -2.097
245 H GLN 33 H GLN 33 -17.640 -2.487 0.258
246 HA GLN 33 HA GLN 33 -19.065 -0.765 2.253
247 HB2 GLN 33 HB2 GLN 33 -16.119 -1.008 1.740
248 HB3 GLN 33 HB3 GLN 33 -16.712 0.179 2.580
249 HG2 GLN 33 HG2 GLN 33 -16.349 -1.261 4.355
250 HG3 GLN 33 HG3 GLN 33 -17.842 -1.429 4.190
251 HE21 GLN 33 HE21 GLN 33 -14.848 -2.970 2.941
252 HE22 GLN 33 HE22 GLN 33 -15.478 -4.616 2.920
253 H ALA 34 H ALA 34 -18.509 -0.898 -1.034
254 HA ALA 34 HA ALA 34 -18.376 0.567 -2.746
255 HB1 ALA 34 HB1 ALA 34 -20.454 1.952 -1.016
256 HB2 ALA 34 HB2 ALA 34 -20.308 2.057 -2.785
257 HB3 ALA 34 HB3 ALA 34 -20.726 0.513 -2.024
258 H LEU 35 H LEU 35 -16.195 1.108 -1.133
259 HA LEU 35 HA LEU 35 -14.525 2.568 -0.701
260 HB2 LEU 35 HB2 LEU 35 -15.640 4.179 -2.957
261 HB3 LEU 35 HB3 LEU 35 -14.255 4.511 -2.271
262 HG LEU 35 HG LEU 35 -13.281 2.317 -2.882
263 HD11 LEU 35 HD11 LEU 35 -14.347 1.072 -4.788
264 HD12 LEU 35 HD12 LEU 35 -15.848 1.981 -4.495
265 HD13 LEU 35 HD13 LEU 35 -15.197 0.866 -3.267
266 HD21 LEU 35 HD21 LEU 35 -12.961 2.928 -5.239
267 HD22 LEU 35 HD22 LEU 35 -12.936 4.363 -4.208
268 HD23 LEU 35 HD23 LEU 35 -14.385 3.991 -5.170
269 HN1 NH2 36 H1 NHE 36 -17.221 3.059 0.753
270 HN2 NH2 36 H2 NHE 36 -16.953 4.639 1.466
Start of MODEL 5
1 H1 ARG 1 H1 ARG 1 7.896 12.271 -4.427
2 H2 ARG 1 H2 ARG 1 7.439 10.905 -3.656
3 H3 ARG 1 H3 ARG 1 8.262 10.811 -5.066
4 HA ARG 1 HA ARG 1 9.351 11.904 -2.543
5 HB2 ARG 1 HB2 ARG 1 9.889 9.239 -3.827
6 HB3 ARG 1 HB3 ARG 1 10.976 9.855 -2.913
7 HG2 ARG 1 HG2 ARG 1 8.263 9.166 -1.821
8 HG3 ARG 1 HG3 ARG 1 9.532 8.288 -1.683
9 HD2 ARG 1 HD2 ARG 1 10.622 10.514 -0.540
10 HD3 ARG 1 HD3 ARG 1 9.193 11.036 -0.442
11 HE ARG 1 HE ARG 1 8.984 8.404 0.590
12 HH11 ARG 1 HH11 ARG 1 10.503 11.434 1.530
13 HH12 ARG 1 HH12 ARG 1 10.706 10.908 3.177
14 HH21 ARG 1 HH21 ARG 1 9.487 7.744 2.579
15 HH22 ARG 1 HH22 ARG 1 10.074 8.875 3.793
16 H ASP 2 H ASP 2 10.586 13.613 -3.063
17 HA ASP 2 HA ASP 2 11.926 13.938 -5.578
18 HB2 ASP 2 HB2 ASP 2 11.261 15.792 -3.944
19 HB3 ASP 2 HB3 ASP 2 12.279 15.367 -2.924
20 HA PRO 3 HA PRO 3 16.038 12.723 -3.568
21 HB2 PRO 3 HB2 PRO 3 16.387 11.736 -1.127
22 HB3 PRO 3 HB3 PRO 3 16.096 13.213 -1.319
23 HG2 PRO 3 HG2 PRO 3 13.933 11.388 -0.384
24 HG3 PRO 3 HG3 PRO 3 14.268 12.715 0.125
25 HD2 PRO 3 HD2 PRO 3 12.369 12.860 -1.803
26 HD3 PRO 3 HD3 PRO 3 13.360 14.010 -1.598
27 H LEU 4 H LEU 4 13.495 10.361 -2.857
28 HA LEU 4 HA LEU 4 13.280 8.129 -3.099
29 HB2 LEU 4 HB2 LEU 4 13.521 9.377 -5.604
30 HB3 LEU 4 HB3 LEU 4 14.462 8.228 -5.843
31 HG LEU 4 HG LEU 4 11.610 7.808 -4.827
32 HD11 LEU 4 HD11 LEU 4 11.719 8.697 -7.123
33 HD12 LEU 4 HD12 LEU 4 11.137 7.025 -7.110
34 HD13 LEU 4 HD13 LEU 4 12.813 7.376 -7.591
35 HD21 LEU 4 HD21 LEU 4 11.878 5.440 -5.439
36 HD22 LEU 4 HD22 LEU 4 13.021 5.894 -4.171
37 HD23 LEU 4 HD23 LEU 4 13.586 5.728 -5.846
38 H LEU 5 H LEU 5 15.695 8.591 -1.688
39 HA LEU 5 HA LEU 5 17.848 6.978 -2.742
40 HB2 LEU 5 HB2 LEU 5 17.482 7.969 0.075
41 HB3 LEU 5 HB3 LEU 5 18.779 7.275 -0.400
42 HG LEU 5 HG LEU 5 17.804 9.827 -1.750
43 HD11 LEU 5 HD11 LEU 5 18.389 10.196 0.612
44 HD12 LEU 5 HD12 LEU 5 19.576 10.941 -0.468
45 HD13 LEU 5 HD13 LEU 5 19.965 9.411 0.353
46 HD21 LEU 5 HD21 LEU 5 19.286 8.555 -3.233
47 HD22 LEU 5 HD22 LEU 5 20.465 8.346 -1.916
48 HD23 LEU 5 HD23 LEU 5 20.141 9.957 -2.593
49 H ASP 6 H ASP 6 15.147 6.157 -0.640
50 HA ASP 6 HA ASP 6 15.923 3.288 -0.827
51 HB2 ASP 6 HB2 ASP 6 16.650 4.516 1.443
52 HB3 ASP 6 HB3 ASP 6 15.187 4.592 1.822
53 H ALA 7 H ALA 7 13.457 5.548 -1.128
54 HA ALA 7 HA ALA 7 11.208 4.338 0.029
55 HB1 ALA 7 HB1 ALA 7 9.931 5.751 -1.522
56 HB2 ALA 7 HB2 ALA 7 11.284 6.641 -0.803
57 HB3 ALA 7 HB3 ALA 7 11.390 6.053 -2.481
58 H NLE 8 H NLE 8 12.751 3.571 -3.078
59 HA NLE 8 HA NLE 8 10.688 2.122 -4.273
60 HB2 NLE 8 HB2 NLE 8 12.212 1.317 -5.812
61 HB3 NLE 8 HB3 NLE 8 12.826 2.888 -5.358
62 HG2 NLE 8 HG2 NLE 8 13.880 0.169 -4.433
63 HG3 NLE 8 HG3 NLE 8 14.591 1.187 -5.665
64 HD2 NLE 8 HD2 NLE 8 14.439 1.877 -2.700
65 HD3 NLE 8 HD3 NLE 8 15.844 1.265 -3.566
66 HE1 NLE 8 HE1 NLE 8 15.804 3.303 -5.033
67 HE2 NLE 8 HE2 NLE 8 14.493 3.953 -4.023
68 HE3 NLE 8 HE3 NLE 8 16.089 3.652 -3.320
69 H ARG 9 H ARG 9 12.645 1.081 -1.590
70 HA ARG 9 HA ARG 9 11.761 -1.765 -1.824
71 HB2 ARG 9 HB2 ARG 9 13.331 -0.606 0.457
72 HB3 ARG 9 HB3 ARG 9 13.028 -2.108 0.242
73 HG2 ARG 9 HG2 ARG 9 14.355 -1.824 -2.068
74 HG3 ARG 9 HG3 ARG 9 14.787 -0.443 -1.605
75 HD2 ARG 9 HD2 ARG 9 15.620 -2.930 -0.107
76 HD3 ARG 9 HD3 ARG 9 16.533 -2.012 -0.943
77 HE ARG 9 HE ARG 9 16.038 -0.104 0.692
78 HH11 ARG 9 HH11 ARG 9 15.898 -3.428 1.833
79 HH12 ARG 9 HH12 ARG 9 16.026 -2.925 3.496
80 HH21 ARG 9 HH21 ARG 9 16.069 0.447 2.730
81 HH22 ARG 9 HH22 ARG 9 16.167 -0.761 4.003
82 H ARG 10 H ARG 10 11.610 0.733 0.706
83 HA ARG 10 HA ARG 10 9.644 -0.718 2.216
84 HB2 ARG 10 HB2 ARG 10 10.039 1.027 3.831
85 HB3 ARG 10 HB3 ARG 10 11.400 0.578 3.233
86 HG2 ARG 10 HG2 ARG 10 10.807 2.785 1.598
87 HG3 ARG 10 HG3 ARG 10 10.009 3.216 2.802
88 HD2 ARG 10 HD2 ARG 10 12.980 2.662 3.004
89 HD3 ARG 10 HD3 ARG 10 12.338 4.062 2.951
90 HE ARG 10 HE ARG 10 11.024 3.267 5.118
91 HH11 ARG 10 HH11 ARG 10 14.419 2.552 4.375
92 HH12 ARG 10 HH12 ARG 10 14.821 2.486 6.071
93 HH21 ARG 10 HH21 ARG 10 11.655 3.113 7.229
94 HH22 ARG 10 HH22 ARG 10 13.314 2.777 7.626
95 H GLU 11 H GLU 11 9.274 2.323 0.368
96 HA GLU 11 HA GLU 11 6.360 2.373 0.888
97 HB2 GLU 11 HB2 GLU 11 8.035 4.246 -0.773
98 HB3 GLU 11 HB3 GLU 11 6.522 4.382 -0.698
99 HG2 GLU 11 HG2 GLU 11 6.499 4.830 1.713
100 HG3 GLU 11 HG3 GLU 11 7.825 4.146 2.013
101 H GLY 12 H GLY 12 8.588 1.441 -1.717
102 HA2 GLY 12 HA2 GLY 12 6.740 0.785 -3.760
103 HA3 GLY 12 HA3 GLY 12 8.258 -0.063 -3.432
104 H ALA 13 H ALA 13 7.798 -1.265 -0.954
105 HA ALA 13 HA ALA 13 6.056 -3.451 -1.513
106 HB1 ALA 13 HB1 ALA 13 7.998 -3.623 -0.034
107 HB2 ALA 13 HB2 ALA 13 7.245 -2.503 1.126
108 HB3 ALA 13 HB3 ALA 13 6.519 -4.096 0.821
109 H NLE 14 H NLE 14 5.541 -0.622 0.677
110 HA NLE 14 HA NLE 14 2.941 -1.350 1.537
111 HB2 NLE 14 HB2 NLE 14 4.252 1.366 1.241
112 HB3 NLE 14 HB3 NLE 14 2.643 1.137 1.938
113 HG2 NLE 14 HG2 NLE 14 3.571 -0.424 3.626
114 HG3 NLE 14 HG3 NLE 14 5.196 -0.143 3.011
115 HD2 NLE 14 HD2 NLE 14 3.364 1.972 4.229
116 HD3 NLE 14 HD3 NLE 14 4.688 1.151 5.059
117 HE1 NLE 14 HE1 NLE 14 6.306 2.141 3.426
118 HE2 NLE 14 HE2 NLE 14 4.960 3.053 2.693
119 HE3 NLE 14 HE3 NLE 14 5.428 3.356 4.372
120 H ASP 15 H ASP 15 3.914 0.370 -1.434
121 HA ASP 15 HA ASP 15 1.316 1.072 -2.340
122 HB2 ASP 15 HB2 ASP 15 3.672 1.794 -3.242
123 HB3 ASP 15 HB3 ASP 15 3.800 0.483 -3.985
124 H PHE 16 H PHE 16 2.710 -2.119 -2.234
125 HA PHE 16 HA PHE 16 0.379 -3.078 -3.849
126 HB2 PHE 16 HB2 PHE 16 1.650 -4.856 -4.715
127 HB3 PHE 16 HB3 PHE 16 2.348 -3.518 -5.102
128 HD1 PHE 16 HD1 PHE 16 2.590 -6.155 -2.394
129 HD2 PHE 16 HD2 PHE 16 4.677 -3.368 -4.943
130 HE1 PHE 16 HE1 PHE 16 4.760 -7.091 -1.648
131 HE2 PHE 16 HE2 PHE 16 6.843 -4.337 -4.224
132 HZ PHE 16 HZ PHE 16 6.892 -6.198 -2.572
133 H TRP 17 H TRP 17 1.896 -3.274 -0.711
134 HA TRP 17 HA TRP 17 0.193 -5.418 0.276
135 HB2 TRP 17 HB2 TRP 17 2.083 -4.418 1.613
136 HB3 TRP 17 HB3 TRP 17 1.463 -2.999 1.595
137 HD1 TRP 17 HD1 TRP 17 0.029 -2.271 3.553
138 HE1 TRP 17 HE1 TRP 17 -1.140 -3.399 5.539
139 HE3 TRP 17 HE3 TRP 17 0.732 -7.176 2.232
140 HZ2 TRP 17 HZ2 TRP 17 -1.660 -6.079 6.466
141 HZ3 TRP 17 HZ3 TRP 17 -0.095 -8.999 3.706
142 HH2 TRP 17 HH2 TRP 17 -1.253 -8.464 5.837
143 H SER 18 H SER 18 -0.210 -1.831 0.193
144 HA SER 18 HA SER 18 -2.848 -1.800 1.251
145 HB2 SER 18 HB2 SER 18 -2.797 0.575 0.526
146 HB3 SER 18 HB3 SER 18 -1.476 0.192 1.224
147 HG SER 18 HG SER 18 -0.379 0.130 -0.656
148 H ALA 19 H ALA 19 -1.842 -2.615 -1.988
149 HA ALA 19 HA ALA 19 -4.338 -2.189 -3.332
150 HB1 ALA 19 HB1 ALA 19 -2.138 -2.459 -4.454
151 HB2 ALA 19 HB2 ALA 19 -2.101 -4.166 -3.946
152 HB3 ALA 19 HB3 ALA 19 -3.349 -3.599 -5.068
153 H GLY 20 H GLY 20 -3.547 -4.535 -0.936
154 HA2 GLY 20 HA2 GLY 20 -6.084 -6.027 -1.506
155 HA3 GLY 20 HA3 GLY 20 -4.571 -6.907 -1.294
156 H ABA 21 H ABU 21 -3.791 -4.888 0.850
157 HA ABA 21 HA ABU 21 -3.585 -4.959 3.080
158 HB3 ABA 21 HB3 ABU 21 -6.465 -4.038 2.895
159 HB2 ABA 21 HB2 ABU 21 -5.067 -3.074 2.398
160 HG1 ABA 21 HG1 ABU 21 -5.749 -2.447 4.653
161 HG3 ABA 21 HG3 ABU 21 -4.148 -3.214 4.707
162 HG2 ABA 21 HG2 ABU 21 -5.593 -4.120 5.210
163 H TYR 22 H TYR 22 -3.192 -6.838 4.048
164 HA TYR 22 HA TYR 22 -3.392 -8.818 5.074
165 HB2 TYR 22 HB2 TYR 22 -6.252 -8.435 5.759
166 HB3 TYR 22 HB3 TYR 22 -5.240 -9.388 6.469
167 HD1 TYR 22 HD1 TYR 22 -3.226 -8.456 7.784
168 HD2 TYR 22 HD2 TYR 22 -6.560 -6.058 6.465
169 HE1 TYR 22 HE1 TYR 22 -2.683 -6.742 9.516
170 HE2 TYR 22 HE2 TYR 22 -6.017 -4.348 8.191
171 HH TYR 22 HH TYR 22 -4.631 -3.757 9.917
172 H ALA 23 H ALA 23 -4.040 -8.513 2.176
173 HA ALA 23 HA ALA 23 -4.948 -9.562 0.387
174 HB1 ALA 23 HB1 ALA 23 -4.485 -11.955 0.241
175 HB2 ALA 23 HB2 ALA 23 -3.144 -11.105 1.030
176 HB3 ALA 23 HB3 ALA 23 -4.291 -12.054 2.005
177 H ARG 24 H ARG 24 -6.863 -8.516 1.895
178 HA ARG 24 HA ARG 24 -9.165 -10.434 2.037
179 HB2 ARG 24 HB2 ARG 24 -8.190 -9.796 4.196
180 HB3 ARG 24 HB3 ARG 24 -8.179 -8.247 3.894
181 HG2 ARG 24 HG2 ARG 24 -10.003 -8.652 5.413
182 HG3 ARG 24 HG3 ARG 24 -10.502 -7.956 4.152
183 HD2 ARG 24 HD2 ARG 24 -11.241 -10.405 3.324
184 HD3 ARG 24 HD3 ARG 24 -10.802 -10.938 4.693
185 HE ARG 24 HE ARG 24 -12.710 -10.090 5.700
186 HH11 ARG 24 HH11 ARG 24 -12.245 -8.237 2.745
187 HH12 ARG 24 HH12 ARG 24 -13.798 -7.443 2.897
188 HH21 ARG 24 HH21 ARG 24 -14.660 -8.972 5.839
189 HH22 ARG 24 HH22 ARG 24 -15.069 -7.820 4.593
190 H GLY 25 H GLY 25 -8.184 -8.386 -0.066
191 HA2 GLY 25 HA2 GLY 25 -9.389 -7.464 -1.819
192 HA3 GLY 25 HA3 GLY 25 -10.887 -7.672 -0.910
193 H VAL 26 H VAL 26 -8.152 -5.914 0.432
194 HA VAL 26 HA VAL 26 -8.070 -3.886 1.420
195 HB VAL 26 HB VAL 26 -7.021 -3.466 -0.606
196 HG11 VAL 26 HG11 VAL 26 -9.639 -2.531 -1.826
197 HG12 VAL 26 HG12 VAL 26 -8.023 -2.304 -2.521
198 HG13 VAL 26 HG13 VAL 26 -8.666 -3.932 -2.315
199 HG21 VAL 26 HG21 VAL 26 -8.678 -1.028 0.111
200 HG22 VAL 26 HG22 VAL 26 -7.250 -1.616 1.002
201 HG23 VAL 26 HG23 VAL 26 -7.096 -1.057 -0.669
202 HA PRO 27 HA PRO 27 -12.505 -4.112 2.519
203 HB2 PRO 27 HB2 PRO 27 -11.591 -2.979 5.111
204 HB3 PRO 27 HB3 PRO 27 -12.626 -3.984 4.878
205 HG2 PRO 27 HG2 PRO 27 -10.345 -5.263 5.271
206 HG3 PRO 27 HG3 PRO 27 -11.234 -5.789 4.163
207 HD2 PRO 27 HD2 PRO 27 -8.796 -4.231 3.467
208 HD3 PRO 27 HD3 PRO 27 -9.386 -5.431 2.793
209 H LEU 28 H LEU 28 -10.668 -1.070 3.158
210 HA LEU 28 HA LEU 28 -12.978 0.596 3.208
211 HB2 LEU 28 HB2 LEU 28 -11.442 2.385 3.290
212 HB3 LEU 28 HB3 LEU 28 -11.032 1.276 4.344
213 HG LEU 28 HG LEU 28 -9.120 2.370 3.346
214 HD11 LEU 28 HD11 LEU 28 -7.693 0.507 2.972
215 HD12 LEU 28 HD12 LEU 28 -9.034 -0.545 2.510
216 HD13 LEU 28 HD13 LEU 28 -8.884 0.034 4.192
217 HD21 LEU 28 HD21 LEU 28 -9.999 2.714 1.047
218 HD22 LEU 28 HD22 LEU 28 -9.721 0.990 0.718
219 HD23 LEU 28 HD23 LEU 28 -8.358 2.049 1.102
220 H SER 29 H SER 29 -11.666 -0.885 0.489
221 HA SER 29 HA SER 29 -13.307 0.829 -1.317
222 HB2 SER 29 HB2 SER 29 -10.573 -0.212 -2.105
223 HB3 SER 29 HB3 SER 29 -11.594 0.387 -3.104
224 HG SER 29 HG SER 29 -10.138 1.959 -2.299
225 H GLU 30 H GLU 30 -13.223 -2.120 0.045
226 HA GLU 30 HA GLU 30 -13.633 -3.952 -2.117
227 HB2 GLU 30 HB2 GLU 30 -13.385 -4.258 0.563
228 HB3 GLU 30 HB3 GLU 30 -14.915 -4.096 0.603
229 HG2 GLU 30 HG2 GLU 30 -14.874 -6.082 -1.236
230 HG3 GLU 30 HG3 GLU 30 -13.414 -6.293 -0.849
231 HA PRO 31 HA PRO 31 -17.595 -2.552 -3.631
232 HB2 PRO 31 HB2 PRO 31 -18.495 -5.320 -4.158
233 HB3 PRO 31 HB3 PRO 31 -18.573 -4.151 -5.035
234 HG2 PRO 31 HG2 PRO 31 -16.348 -5.475 -5.603
235 HG3 PRO 31 HG3 PRO 31 -16.268 -3.965 -5.613
236 HD2 PRO 31 HD2 PRO 31 -15.102 -5.479 -3.329
237 HD3 PRO 31 HD3 PRO 31 -14.590 -4.256 -4.030
238 HA PRO 32 HA PRO 32 -20.688 -4.470 -0.409
239 HB2 PRO 32 HB2 PRO 32 -19.120 -5.563 1.817
240 HB3 PRO 32 HB3 PRO 32 -20.361 -6.078 1.245
241 HG2 PRO 32 HG2 PRO 32 -18.338 -7.461 0.232
242 HG3 PRO 32 HG3 PRO 32 -19.444 -7.100 -0.722
243 HD2 PRO 32 HD2 PRO 32 -16.921 -5.455 -0.731
244 HD3 PRO 32 HD3 PRO 32 -17.615 -6.081 -1.870
245 H GLN 33 H GLN 33 -17.734 -2.713 0.331
246 HA GLN 33 HA GLN 33 -19.154 -0.935 2.274
247 HB2 GLN 33 HB2 GLN 33 -16.222 -1.121 1.673
248 HB3 GLN 33 HB3 GLN 33 -16.818 0.049 2.529
249 HG2 GLN 33 HG2 GLN 33 -16.363 -1.391 4.293
250 HG3 GLN 33 HG3 GLN 33 -17.863 -1.567 4.178
251 HE21 GLN 33 HE21 GLN 33 -14.924 -3.088 2.778
252 HE22 GLN 33 HE22 GLN 33 -15.534 -4.740 2.809
253 H ALA 34 H ALA 34 -18.759 -1.151 -1.013
254 HA ALA 34 HA ALA 34 -18.729 0.256 -2.776
255 HB1 ALA 34 HB1 ALA 34 -20.711 1.686 -0.971
256 HB2 ALA 34 HB2 ALA 34 -20.673 1.729 -2.748
257 HB3 ALA 34 HB3 ALA 34 -21.029 0.209 -1.911
258 H LEU 35 H LEU 35 -16.464 0.879 -1.276
259 HA LEU 35 HA LEU 35 -14.794 2.371 -0.995
260 HB2 LEU 35 HB2 LEU 35 -16.011 3.871 -3.273
261 HB3 LEU 35 HB3 LEU 35 -14.587 4.215 -2.670
262 HG LEU 35 HG LEU 35 -13.680 1.974 -3.237
263 HD11 LEU 35 HD11 LEU 35 -14.861 0.692 -5.052
264 HD12 LEU 35 HD12 LEU 35 -16.326 1.640 -4.717
265 HD13 LEU 35 HD13 LEU 35 -15.637 0.550 -3.487
266 HD21 LEU 35 HD21 LEU 35 -13.456 2.489 -5.628
267 HD22 LEU 35 HD22 LEU 35 -13.352 3.961 -4.655
268 HD23 LEU 35 HD23 LEU 35 -14.851 3.590 -5.536
269 HN1 NH2 36 H1 NHE 36 -17.406 2.899 0.565
270 HN2 NH2 36 H2 NHE 36 -17.140 4.523 1.175
Start of MODEL 6
1 H1 ARG 1 H1 ARG 1 7.333 11.681 -4.793
2 H2 ARG 1 H2 ARG 1 7.105 10.259 -4.014
3 H3 ARG 1 H3 ARG 1 7.841 10.290 -5.479
4 HA ARG 1 HA ARG 1 8.931 11.495 -3.022
5 HB2 ARG 1 HB2 ARG 1 9.755 8.935 -4.374
6 HB3 ARG 1 HB3 ARG 1 10.791 9.669 -3.501
7 HG2 ARG 1 HG2 ARG 1 8.260 8.591 -2.298
8 HG3 ARG 1 HG3 ARG 1 9.662 7.943 -2.194
9 HD2 ARG 1 HD2 ARG 1 10.429 10.278 -1.079
10 HD3 ARG 1 HD3 ARG 1 8.949 10.649 -1.005
11 HE ARG 1 HE ARG 1 8.984 8.059 0.117
12 HH11 ARG 1 HH11 ARG 1 10.216 11.246 0.953
13 HH12 ARG 1 HH12 ARG 1 10.437 10.805 2.624
14 HH21 ARG 1 HH21 ARG 1 9.503 7.526 2.144
15 HH22 ARG 1 HH22 ARG 1 9.975 8.753 3.313
16 H ASP 2 H ASP 2 11.188 12.138 -3.200
17 HA ASP 2 HA ASP 2 12.015 13.025 -5.927
18 HB2 ASP 2 HB2 ASP 2 11.002 14.893 -4.495
19 HB3 ASP 2 HB3 ASP 2 12.003 14.681 -3.390
20 HA PRO 3 HA PRO 3 16.101 12.312 -3.622
21 HB2 PRO 3 HB2 PRO 3 16.354 11.417 -1.125
22 HB3 PRO 3 HB3 PRO 3 16.071 12.881 -1.400
23 HG2 PRO 3 HG2 PRO 3 13.871 11.093 -0.480
24 HG3 PRO 3 HG3 PRO 3 14.176 12.446 -0.023
25 HD2 PRO 3 HD2 PRO 3 12.366 12.496 -2.024
26 HD3 PRO 3 HD3 PRO 3 13.358 13.650 -1.872
27 H LEU 4 H LEU 4 13.584 9.916 -2.979
28 HA LEU 4 HA LEU 4 13.396 7.684 -3.268
29 HB2 LEU 4 HB2 LEU 4 13.699 9.029 -5.714
30 HB3 LEU 4 HB3 LEU 4 14.648 7.895 -5.976
31 HG LEU 4 HG LEU 4 11.782 7.402 -5.029
32 HD11 LEU 4 HD11 LEU 4 11.890 8.439 -7.261
33 HD12 LEU 4 HD12 LEU 4 11.331 6.762 -7.361
34 HD13 LEU 4 HD13 LEU 4 13.004 7.167 -7.808
35 HD21 LEU 4 HD21 LEU 4 12.083 5.081 -5.795
36 HD22 LEU 4 HD22 LEU 4 13.216 5.466 -4.494
37 HD23 LEU 4 HD23 LEU 4 13.789 5.417 -6.174
38 H LEU 5 H LEU 5 15.754 8.084 -1.770
39 HA LEU 5 HA LEU 5 17.980 6.587 -2.803
40 HB2 LEU 5 HB2 LEU 5 17.434 7.242 0.080
41 HB3 LEU 5 HB3 LEU 5 18.785 6.689 -0.424
42 HG LEU 5 HG LEU 5 17.686 9.341 -1.447
43 HD11 LEU 5 HD11 LEU 5 18.238 9.400 0.951
44 HD12 LEU 5 HD12 LEU 5 19.382 10.360 0.001
45 HD13 LEU 5 HD13 LEU 5 19.858 8.755 0.602
46 HD21 LEU 5 HD21 LEU 5 19.241 8.375 -3.076
47 HD22 LEU 5 HD22 LEU 5 20.425 8.042 -1.789
48 HD23 LEU 5 HD23 LEU 5 20.017 9.715 -2.233
49 H ASP 6 H ASP 6 15.237 5.562 -0.816
50 HA ASP 6 HA ASP 6 15.936 2.727 -1.371
51 HB2 ASP 6 HB2 ASP 6 16.741 3.637 1.022
52 HB3 ASP 6 HB3 ASP 6 15.285 3.682 1.442
53 H ALA 7 H ALA 7 13.579 5.021 -1.540
54 HA ALA 7 HA ALA 7 11.266 3.899 -0.419
55 HB1 ALA 7 HB1 ALA 7 10.057 5.382 -1.941
56 HB2 ALA 7 HB2 ALA 7 11.452 6.207 -1.224
57 HB3 ALA 7 HB3 ALA 7 11.522 5.630 -2.907
58 H NLE 8 H NLE 8 12.794 3.131 -3.533
59 HA NLE 8 HA NLE 8 10.706 1.733 -4.747
60 HB2 NLE 8 HB2 NLE 8 12.219 0.921 -6.290
61 HB3 NLE 8 HB3 NLE 8 12.864 2.473 -5.816
62 HG2 NLE 8 HG2 NLE 8 13.860 -0.278 -4.925
63 HG3 NLE 8 HG3 NLE 8 14.596 0.742 -6.140
64 HD2 NLE 8 HD2 NLE 8 14.449 1.392 -3.166
65 HD3 NLE 8 HD3 NLE 8 15.843 0.761 -4.034
66 HE1 NLE 8 HE1 NLE 8 15.861 2.819 -5.471
67 HE2 NLE 8 HE2 NLE 8 14.557 3.486 -4.463
68 HE3 NLE 8 HE3 NLE 8 16.140 3.143 -3.751
69 H ARG 9 H ARG 9 12.640 0.633 -2.070
70 HA ARG 9 HA ARG 9 11.616 -2.177 -2.314
71 HB2 ARG 9 HB2 ARG 9 13.401 -1.158 -0.129
72 HB3 ARG 9 HB3 ARG 9 12.982 -2.635 -0.337
73 HG2 ARG 9 HG2 ARG 9 14.188 -2.398 -2.727
74 HG3 ARG 9 HG3 ARG 9 14.753 -1.070 -2.254
75 HD2 ARG 9 HD2 ARG 9 15.470 -3.662 -0.879
76 HD3 ARG 9 HD3 ARG 9 16.407 -2.775 -1.713
77 HE ARG 9 HE ARG 9 16.020 -0.892 0.032
78 HH11 ARG 9 HH11 ARG 9 16.077 -4.284 0.950
79 HH12 ARG 9 HH12 ARG 9 16.311 -3.891 2.631
80 HH21 ARG 9 HH21 ARG 9 16.134 -0.478 2.131
81 HH22 ARG 9 HH22 ARG 9 16.407 -1.771 3.284
82 H ARG 10 H ARG 10 11.800 0.284 0.259
83 HA ARG 10 HA ARG 10 9.909 -1.070 1.910
84 HB2 ARG 10 HB2 ARG 10 10.434 0.692 3.458
85 HB3 ARG 10 HB3 ARG 10 11.746 0.265 2.755
86 HG2 ARG 10 HG2 ARG 10 10.985 2.420 1.137
87 HG3 ARG 10 HG3 ARG 10 10.259 2.859 2.387
88 HD2 ARG 10 HD2 ARG 10 13.252 2.408 2.380
89 HD3 ARG 10 HD3 ARG 10 12.552 3.783 2.354
90 HE ARG 10 HE ARG 10 11.503 3.206 4.614
91 HH11 ARG 10 HH11 ARG 10 14.620 1.754 3.696
92 HH12 ARG 10 HH12 ARG 10 15.096 1.644 5.368
93 HH21 ARG 10 HH21 ARG 10 12.227 2.977 6.677
94 HH22 ARG 10 HH22 ARG 10 13.794 2.294 6.989
95 H GLU 11 H GLU 11 9.420 1.907 -0.008
96 HA GLU 11 HA GLU 11 6.543 1.977 0.704
97 HB2 GLU 11 HB2 GLU 11 8.121 3.840 -1.061
98 HB3 GLU 11 HB3 GLU 11 6.612 3.974 -0.905
99 HG2 GLU 11 HG2 GLU 11 6.733 4.404 1.518
100 HG3 GLU 11 HG3 GLU 11 8.106 3.775 1.715
101 H GLY 12 H GLY 12 8.609 1.064 -2.045
102 HA2 GLY 12 HA2 GLY 12 6.663 0.471 -3.999
103 HA3 GLY 12 HA3 GLY 12 8.178 -0.411 -3.761
104 H ALA 13 H ALA 13 7.811 -1.671 -1.305
105 HA ALA 13 HA ALA 13 6.013 -3.819 -1.852
106 HB1 ALA 13 HB1 ALA 13 8.036 -4.056 -0.489
107 HB2 ALA 13 HB2 ALA 13 7.361 -2.972 0.748
108 HB3 ALA 13 HB3 ALA 13 6.604 -4.549 0.430
109 H NLE 14 H NLE 14 5.668 -1.059 0.453
110 HA NLE 14 HA NLE 14 3.118 -1.797 1.454
111 HB2 NLE 14 HB2 NLE 14 4.460 0.909 1.197
112 HB3 NLE 14 HB3 NLE 14 2.890 0.678 1.977
113 HG2 NLE 14 HG2 NLE 14 3.889 -0.979 3.534
114 HG3 NLE 14 HG3 NLE 14 5.480 -0.680 2.846
115 HD2 NLE 14 HD2 NLE 14 3.730 1.383 4.261
116 HD3 NLE 14 HD3 NLE 14 5.096 0.523 4.977
117 HE1 NLE 14 HE1 NLE 14 6.632 1.596 3.328
118 HE2 NLE 14 HE2 NLE 14 5.256 2.525 2.681
119 HE3 NLE 14 HE3 NLE 14 5.787 2.769 4.351
120 H ASP 15 H ASP 15 3.937 0.022 -1.505
121 HA ASP 15 HA ASP 15 1.308 0.826 -2.209
122 HB2 ASP 15 HB2 ASP 15 3.610 1.507 -3.260
123 HB3 ASP 15 HB3 ASP 15 3.656 0.207 -4.033
124 H PHE 16 H PHE 16 2.667 -2.399 -2.377
125 HA PHE 16 HA PHE 16 0.205 -3.260 -3.843
126 HB2 PHE 16 HB2 PHE 16 1.392 -5.040 -4.826
127 HB3 PHE 16 HB3 PHE 16 2.059 -3.689 -5.237
128 HD1 PHE 16 HD1 PHE 16 2.510 -6.375 -2.599
129 HD2 PHE 16 HD2 PHE 16 4.387 -3.552 -5.274
130 HE1 PHE 16 HE1 PHE 16 4.734 -7.334 -2.059
131 HE2 PHE 16 HE2 PHE 16 6.604 -4.537 -4.758
132 HZ PHE 16 HZ PHE 16 6.784 -6.432 -3.149
133 H TRP 17 H TRP 17 1.832 -3.532 -0.790
134 HA TRP 17 HA TRP 17 0.114 -5.678 0.202
135 HB2 TRP 17 HB2 TRP 17 2.093 -4.777 1.498
136 HB3 TRP 17 HB3 TRP 17 1.514 -3.348 1.551
137 HD1 TRP 17 HD1 TRP 17 0.232 -2.659 3.621
138 HE1 TRP 17 HE1 TRP 17 -0.932 -3.829 5.586
139 HE3 TRP 17 HE3 TRP 17 0.599 -7.514 2.010
140 HZ2 TRP 17 HZ2 TRP 17 -1.593 -6.523 6.375
141 HZ3 TRP 17 HZ3 TRP 17 -0.295 -9.366 3.405
142 HH2 TRP 17 HH2 TRP 17 -1.360 -8.886 5.598
143 H SER 18 H SER 18 -0.148 -2.077 0.310
144 HA SER 18 HA SER 18 -2.751 -2.021 1.455
145 HB2 SER 18 HB2 SER 18 -2.603 0.403 0.946
146 HB3 SER 18 HB3 SER 18 -1.274 -0.101 1.551
147 HG SER 18 HG SER 18 -0.266 -0.061 -0.390
148 H ALA 19 H ALA 19 -1.876 -2.638 -1.851
149 HA ALA 19 HA ALA 19 -4.334 -2.004 -3.148
150 HB1 ALA 19 HB1 ALA 19 -2.191 -2.473 -4.300
151 HB2 ALA 19 HB2 ALA 19 -2.292 -4.176 -3.787
152 HB3 ALA 19 HB3 ALA 19 -3.500 -3.508 -4.899
153 H GLY 20 H GLY 20 -3.657 -4.535 -0.870
154 HA2 GLY 20 HA2 GLY 20 -6.403 -5.667 -1.298
155 HA3 GLY 20 HA3 GLY 20 -5.005 -6.734 -1.159
156 H ABA 21 H ABU 21 -3.863 -4.820 0.930
157 HA ABA 21 HA ABU 21 -3.557 -4.898 3.146
158 HB3 ABA 21 HB3 ABU 21 -6.361 -3.758 3.125
159 HB2 ABA 21 HB2 ABU 21 -4.920 -2.893 2.582
160 HG1 ABA 21 HG1 ABU 21 -5.457 -2.271 4.882
161 HG3 ABA 21 HG3 ABU 21 -3.909 -3.139 4.837
162 HG2 ABA 21 HG2 ABU 21 -5.383 -3.965 5.399
163 H TYR 22 H TYR 22 -3.264 -6.935 3.852
164 HA TYR 22 HA TYR 22 -3.564 -8.933 4.817
165 HB2 TYR 22 HB2 TYR 22 -6.346 -8.371 5.688
166 HB3 TYR 22 HB3 TYR 22 -5.410 -9.500 6.237
167 HD1 TYR 22 HD1 TYR 22 -3.253 -8.956 7.514
168 HD2 TYR 22 HD2 TYR 22 -6.355 -6.068 6.683
169 HE1 TYR 22 HE1 TYR 22 -2.453 -7.540 9.411
170 HE2 TYR 22 HE2 TYR 22 -5.559 -4.660 8.579
171 HH TYR 22 HH TYR 22 -4.052 -4.453 10.295
172 H ALA 23 H ALA 23 -4.333 -8.346 1.988
173 HA ALA 23 HA ALA 23 -5.396 -9.203 0.176
174 HB1 ALA 23 HB1 ALA 23 -5.087 -11.598 -0.165
175 HB2 ALA 23 HB2 ALA 23 -3.659 -10.889 0.611
176 HB3 ALA 23 HB3 ALA 23 -4.813 -11.840 1.574
177 H ARG 24 H ARG 24 -7.154 -8.156 1.825
178 HA ARG 24 HA ARG 24 -9.549 -9.943 2.089
179 HB2 ARG 24 HB2 ARG 24 -8.387 -9.341 4.167
180 HB3 ARG 24 HB3 ARG 24 -8.299 -7.792 3.824
181 HG2 ARG 24 HG2 ARG 24 -10.015 -8.004 5.477
182 HG3 ARG 24 HG3 ARG 24 -10.593 -7.368 4.224
183 HD2 ARG 24 HD2 ARG 24 -11.491 -9.827 3.608
184 HD3 ARG 24 HD3 ARG 24 -10.942 -10.306 4.957
185 HE ARG 24 HE ARG 24 -12.706 -9.327 6.100
186 HH11 ARG 24 HH11 ARG 24 -12.488 -7.682 2.995
187 HH12 ARG 24 HH12 ARG 24 -13.977 -6.800 3.263
188 HH21 ARG 24 HH21 ARG 24 -14.584 -8.111 6.368
189 HH22 ARG 24 HH22 ARG 24 -15.083 -7.027 5.094
190 H GLY 25 H GLY 25 -8.540 -7.746 0.019
191 HA2 GLY 25 HA2 GLY 25 -9.744 -6.580 -1.593
192 HA3 GLY 25 HA3 GLY 25 -11.233 -6.830 -0.678
193 H VAL 26 H VAL 26 -8.457 -5.430 0.921
194 HA VAL 26 HA VAL 26 -8.308 -3.569 2.184
195 HB VAL 26 HB VAL 26 -7.068 -3.031 0.309
196 HG11 VAL 26 HG11 VAL 26 -9.484 -1.718 -0.977
197 HG12 VAL 26 HG12 VAL 26 -7.802 -1.574 -1.524
198 HG13 VAL 26 HG13 VAL 26 -8.602 -3.146 -1.556
199 HG21 VAL 26 HG21 VAL 26 -8.541 -0.517 1.139
200 HG22 VAL 26 HG22 VAL 26 -7.307 -1.349 2.119
201 HG23 VAL 26 HG23 VAL 26 -6.882 -0.659 0.547
202 HA PRO 27 HA PRO 27 -12.752 -3.565 3.091
203 HB2 PRO 27 HB2 PRO 27 -11.912 -2.536 5.752
204 HB3 PRO 27 HB3 PRO 27 -12.970 -3.494 5.446
205 HG2 PRO 27 HG2 PRO 27 -10.744 -4.856 5.890
206 HG3 PRO 27 HG3 PRO 27 -11.618 -5.332 4.749
207 HD2 PRO 27 HD2 PRO 27 -9.100 -3.872 4.159
208 HD3 PRO 27 HD3 PRO 27 -9.741 -5.008 3.416
209 H LEU 28 H LEU 28 -10.884 -0.591 3.905
210 HA LEU 28 HA LEU 28 -13.158 1.124 3.929
211 HB2 LEU 28 HB2 LEU 28 -11.581 2.874 4.142
212 HB3 LEU 28 HB3 LEU 28 -11.258 1.717 5.179
213 HG LEU 28 HG LEU 28 -9.270 2.790 4.308
214 HD11 LEU 28 HD11 LEU 28 -7.876 0.897 3.966
215 HD12 LEU 28 HD12 LEU 28 -9.213 -0.104 3.405
216 HD13 LEU 28 HD13 LEU 28 -9.142 0.430 5.109
217 HD21 LEU 28 HD21 LEU 28 -10.022 3.209 1.976
218 HD22 LEU 28 HD22 LEU 28 -9.769 1.485 1.620
219 HD23 LEU 28 HD23 LEU 28 -8.403 2.500 2.099
220 H SER 29 H SER 29 -11.760 -0.275 1.211
221 HA SER 29 HA SER 29 -13.292 1.540 -0.595
222 HB2 SER 29 HB2 SER 29 -10.536 0.495 -1.305
223 HB3 SER 29 HB3 SER 29 -11.496 1.182 -2.310
224 HG SER 29 HG SER 29 -10.032 2.656 -1.336
225 H GLU 30 H GLU 30 -13.362 -1.439 0.647
226 HA GLU 30 HA GLU 30 -13.518 -3.238 -1.554
227 HB2 GLU 30 HB2 GLU 30 -13.639 -3.543 1.133
228 HB3 GLU 30 HB3 GLU 30 -15.166 -3.402 0.960
229 HG2 GLU 30 HG2 GLU 30 -14.849 -5.393 -0.842
230 HG3 GLU 30 HG3 GLU 30 -13.453 -5.582 -0.266
231 HA PRO 31 HA PRO 31 -17.240 -1.863 -3.597
232 HB2 PRO 31 HB2 PRO 31 -18.049 -4.634 -4.239
233 HB3 PRO 31 HB3 PRO 31 -18.009 -3.464 -5.119
234 HG2 PRO 31 HG2 PRO 31 -15.726 -4.791 -5.370
235 HG3 PRO 31 HG3 PRO 31 -15.647 -3.278 -5.376
236 HD2 PRO 31 HD2 PRO 31 -14.800 -4.779 -2.947
237 HD3 PRO 31 HD3 PRO 31 -14.202 -3.556 -3.578
238 HA PRO 32 HA PRO 32 -20.739 -3.756 -0.825
239 HB2 PRO 32 HB2 PRO 32 -19.528 -4.929 1.569
240 HB3 PRO 32 HB3 PRO 32 -20.669 -5.419 0.798
241 HG2 PRO 32 HG2 PRO 32 -18.513 -6.797 0.086
242 HG3 PRO 32 HG3 PRO 32 -19.467 -6.419 -1.014
243 HD2 PRO 32 HD2 PRO 32 -16.967 -4.780 -0.627
244 HD3 PRO 32 HD3 PRO 32 -17.487 -5.392 -1.865
245 H GLN 33 H GLN 33 -17.859 -2.119 0.390
246 HA GLN 33 HA GLN 33 -19.481 -0.351 2.173
247 HB2 GLN 33 HB2 GLN 33 -16.497 -0.545 1.903
248 HB3 GLN 33 HB3 GLN 33 -17.189 0.614 2.704
249 HG2 GLN 33 HG2 GLN 33 -16.980 -0.832 4.497
250 HG3 GLN 33 HG3 GLN 33 -18.436 -1.080 4.167
251 HE21 GLN 33 HE21 GLN 33 -15.223 -2.442 3.301
252 HE22 GLN 33 HE22 GLN 33 -15.770 -4.111 3.158
253 H ALA 34 H ALA 34 -18.391 -0.470 -1.045
254 HA ALA 34 HA ALA 34 -18.073 1.022 -2.711
255 HB1 ALA 34 HB1 ALA 34 -20.528 2.231 -1.387
256 HB2 ALA 34 HB2 ALA 34 -20.063 2.379 -3.097
257 HB3 ALA 34 HB3 ALA 34 -20.503 0.796 -2.438
258 H LEU 35 H LEU 35 -16.219 1.668 -0.836
259 HA LEU 35 HA LEU 35 -14.704 3.203 -0.180
260 HB2 LEU 35 HB2 LEU 35 -15.697 4.932 -2.403
261 HB3 LEU 35 HB3 LEU 35 -14.387 5.242 -1.564
262 HG LEU 35 HG LEU 35 -13.311 3.105 -2.286
263 HD11 LEU 35 HD11 LEU 35 -14.164 2.106 -4.438
264 HD12 LEU 35 HD12 LEU 35 -15.696 2.971 -4.187
265 HD13 LEU 35 HD13 LEU 35 -15.155 1.712 -3.047
266 HD21 LEU 35 HD21 LEU 35 -12.757 3.986 -4.517
267 HD22 LEU 35 HD22 LEU 35 -12.841 5.287 -3.325
268 HD23 LEU 35 HD23 LEU 35 -14.184 5.047 -4.466
269 HN1 NH2 36 H1 NHE 36 -17.636 3.469 0.946
270 HN2 NH2 36 H2 NHE 36 -17.511 4.986 1.815
Start of MODEL 7
1 H1 ARG 1 H1 ARG 1 7.883 12.006 -4.716
2 H2 ARG 1 H2 ARG 1 7.414 10.638 -3.956
3 H3 ARG 1 H3 ARG 1 8.359 10.551 -5.290
4 HA ARG 1 HA ARG 1 9.183 11.734 -2.709
5 HB2 ARG 1 HB2 ARG 1 9.918 9.063 -3.877
6 HB3 ARG 1 HB3 ARG 1 10.915 9.742 -2.905
7 HG2 ARG 1 HG2 ARG 1 8.160 8.960 -1.995
8 HG3 ARG 1 HG3 ARG 1 9.462 8.158 -1.730
9 HD2 ARG 1 HD2 ARG 1 10.318 10.505 -0.600
10 HD3 ARG 1 HD3 ARG 1 8.846 10.899 -0.595
11 HE ARG 1 HE ARG 1 8.782 8.291 0.490
12 HH11 ARG 1 HH11 ARG 1 10.070 11.423 1.439
13 HH12 ARG 1 HH12 ARG 1 10.266 10.925 3.097
14 HH21 ARG 1 HH21 ARG 1 9.273 7.682 2.498
15 HH22 ARG 1 HH22 ARG 1 9.752 8.858 3.715
16 H ASP 2 H ASP 2 10.470 13.430 -3.092
17 HA ASP 2 HA ASP 2 12.042 13.759 -5.484
18 HB2 ASP 2 HB2 ASP 2 11.192 15.620 -3.944
19 HB3 ASP 2 HB3 ASP 2 12.106 15.214 -2.821
20 HA PRO 3 HA PRO 3 15.923 12.621 -3.011
21 HB2 PRO 3 HB2 PRO 3 15.999 11.596 -0.558
22 HB3 PRO 3 HB3 PRO 3 15.724 13.075 -0.767
23 HG2 PRO 3 HG2 PRO 3 13.481 11.230 -0.102
24 HG3 PRO 3 HG3 PRO 3 13.744 12.556 0.449
25 HD2 PRO 3 HD2 PRO 3 12.076 12.701 -1.675
26 HD3 PRO 3 HD3 PRO 3 13.032 13.857 -1.363
27 H LEU 4 H LEU 4 13.372 10.196 -2.590
28 HA LEU 4 HA LEU 4 13.230 7.965 -2.917
29 HB2 LEU 4 HB2 LEU 4 13.584 9.347 -5.338
30 HB3 LEU 4 HB3 LEU 4 14.556 8.229 -5.584
31 HG LEU 4 HG LEU 4 11.674 7.682 -4.723
32 HD11 LEU 4 HD11 LEU 4 11.823 8.750 -6.936
33 HD12 LEU 4 HD12 LEU 4 11.292 7.067 -7.071
34 HD13 LEU 4 HD13 LEU 4 12.970 7.501 -7.471
35 HD21 LEU 4 HD21 LEU 4 13.119 5.763 -4.171
36 HD22 LEU 4 HD22 LEU 4 13.739 5.742 -5.834
37 HD23 LEU 4 HD23 LEU 4 12.027 5.378 -5.508
38 H LEU 5 H LEU 5 15.545 8.378 -1.345
39 HA LEU 5 HA LEU 5 17.815 6.927 -2.343
40 HB2 LEU 5 HB2 LEU 5 17.189 7.529 0.535
41 HB3 LEU 5 HB3 LEU 5 18.559 6.996 0.058
42 HG LEU 5 HG LEU 5 17.460 9.657 -0.939
43 HD11 LEU 5 HD11 LEU 5 17.972 9.667 1.471
44 HD12 LEU 5 HD12 LEU 5 19.121 10.659 0.559
45 HD13 LEU 5 HD13 LEU 5 19.604 9.045 1.131
46 HD21 LEU 5 HD21 LEU 5 19.047 8.742 -2.563
47 HD22 LEU 5 HD22 LEU 5 20.212 8.384 -1.264
48 HD23 LEU 5 HD23 LEU 5 19.802 10.066 -1.676
49 H ASP 6 H ASP 6 15.043 5.837 -0.431
50 HA ASP 6 HA ASP 6 15.772 3.024 -1.050
51 HB2 ASP 6 HB2 ASP 6 16.529 3.868 1.384
52 HB3 ASP 6 HB3 ASP 6 15.071 3.886 1.780
53 H ALA 7 H ALA 7 13.411 5.301 -1.214
54 HA ALA 7 HA ALA 7 11.077 4.149 -0.167
55 HB1 ALA 7 HB1 ALA 7 9.899 5.655 -1.689
56 HB2 ALA 7 HB2 ALA 7 11.273 6.472 -0.923
57 HB3 ALA 7 HB3 ALA 7 11.385 5.927 -2.614
58 H NLE 8 H NLE 8 12.689 3.440 -3.249
59 HA NLE 8 HA NLE 8 10.639 2.051 -4.543
60 HB2 NLE 8 HB2 NLE 8 12.197 1.273 -6.057
61 HB3 NLE 8 HB3 NLE 8 12.826 2.819 -5.539
62 HG2 NLE 8 HG2 NLE 8 13.801 0.054 -4.667
63 HG3 NLE 8 HG3 NLE 8 14.566 1.091 -5.848
64 HD2 NLE 8 HD2 NLE 8 14.344 1.705 -2.872
65 HD3 NLE 8 HD3 NLE 8 15.758 1.078 -3.709
66 HE1 NLE 8 HE1 NLE 8 15.821 3.149 -5.125
67 HE2 NLE 8 HE2 NLE 8 14.493 3.811 -4.140
68 HE3 NLE 8 HE3 NLE 8 16.059 3.453 -3.395
69 H ARG 9 H ARG 9 12.511 0.928 -1.831
70 HA ARG 9 HA ARG 9 11.509 -1.883 -2.144
71 HB2 ARG 9 HB2 ARG 9 13.284 -0.903 0.068
72 HB3 ARG 9 HB3 ARG 9 12.862 -2.375 -0.164
73 HG2 ARG 9 HG2 ARG 9 14.067 -2.104 -2.552
74 HG3 ARG 9 HG3 ARG 9 14.637 -0.788 -2.060
75 HD2 ARG 9 HD2 ARG 9 15.346 -3.403 -0.720
76 HD3 ARG 9 HD3 ARG 9 16.282 -2.513 -1.547
77 HE ARG 9 HE ARG 9 15.870 -0.644 0.233
78 HH11 ARG 9 HH11 ARG 9 16.060 -4.051 1.063
79 HH12 ARG 9 HH12 ARG 9 16.318 -3.694 2.750
80 HH21 ARG 9 HH21 ARG 9 16.013 -0.276 2.334
81 HH22 ARG 9 HH22 ARG 9 16.355 -1.585 3.453
82 H ARG 10 H ARG 10 11.641 0.550 0.469
83 HA ARG 10 HA ARG 10 9.736 -0.854 2.071
84 HB2 ARG 10 HB2 ARG 10 10.196 0.899 3.653
85 HB3 ARG 10 HB3 ARG 10 11.531 0.478 2.984
86 HG2 ARG 10 HG2 ARG 10 10.792 2.656 1.369
87 HG3 ARG 10 HG3 ARG 10 10.064 3.082 2.622
88 HD2 ARG 10 HD2 ARG 10 13.052 2.595 2.629
89 HD3 ARG 10 HD3 ARG 10 12.373 3.981 2.599
90 HE ARG 10 HE ARG 10 11.291 3.404 4.849
91 HH11 ARG 10 HH11 ARG 10 14.413 1.945 3.958
92 HH12 ARG 10 HH12 ARG 10 14.879 1.847 5.633
93 HH21 ARG 10 HH21 ARG 10 12.004 3.191 6.919
94 HH22 ARG 10 HH22 ARG 10 13.570 2.509 7.242
95 H GLU 11 H GLU 11 9.249 2.166 0.216
96 HA GLU 11 HA GLU 11 6.360 2.181 0.864
97 HB2 GLU 11 HB2 GLU 11 7.942 4.081 -0.859
98 HB3 GLU 11 HB3 GLU 11 6.432 4.197 -0.727
99 HG2 GLU 11 HG2 GLU 11 6.496 4.605 1.697
100 HG3 GLU 11 HG3 GLU 11 7.868 3.978 1.922
101 H GLY 12 H GLY 12 8.472 1.318 -1.865
102 HA2 GLY 12 HA2 GLY 12 6.547 0.690 -3.834
103 HA3 GLY 12 HA3 GLY 12 8.087 -0.148 -3.596
104 H ALA 13 H ALA 13 7.729 -1.422 -1.129
105 HA ALA 13 HA ALA 13 5.991 -3.616 -1.712
106 HB1 ALA 13 HB1 ALA 13 8.019 -3.834 -0.356
107 HB2 ALA 13 HB2 ALA 13 7.323 -2.779 0.897
108 HB3 ALA 13 HB3 ALA 13 6.597 -4.366 0.558
109 H NLE 14 H NLE 14 5.572 -0.873 0.604
110 HA NLE 14 HA NLE 14 3.038 -1.684 1.589
111 HB2 NLE 14 HB2 NLE 14 4.307 1.056 1.338
112 HB3 NLE 14 HB3 NLE 14 2.730 0.789 2.096
113 HG2 NLE 14 HG2 NLE 14 3.740 -0.836 3.674
114 HG3 NLE 14 HG3 NLE 14 5.335 -0.518 3.003
115 HD2 NLE 14 HD2 NLE 14 3.543 1.530 4.386
116 HD3 NLE 14 HD3 NLE 14 4.902 0.684 5.126
117 HE1 NLE 14 HE1 NLE 14 6.456 1.759 3.491
118 HE2 NLE 14 HE2 NLE 14 5.080 2.681 2.829
119 HE3 NLE 14 HE3 NLE 14 5.594 2.928 4.505
120 H ASP 15 H ASP 15 3.823 0.135 -1.375
121 HA ASP 15 HA ASP 15 1.162 0.798 -2.133
122 HB2 ASP 15 HB2 ASP 15 3.450 1.589 -3.143
123 HB3 ASP 15 HB3 ASP 15 3.567 0.293 -3.917
124 H PHE 16 H PHE 16 2.645 -2.359 -2.162
125 HA PHE 16 HA PHE 16 0.267 -3.353 -3.674
126 HB2 PHE 16 HB2 PHE 16 1.535 -5.091 -4.619
127 HB3 PHE 16 HB3 PHE 16 2.159 -3.721 -5.039
128 HD1 PHE 16 HD1 PHE 16 2.681 -6.325 -2.329
129 HD2 PHE 16 HD2 PHE 16 4.480 -3.537 -5.088
130 HE1 PHE 16 HE1 PHE 16 4.927 -7.200 -1.755
131 HE2 PHE 16 HE2 PHE 16 6.721 -4.444 -4.540
132 HZ PHE 16 HZ PHE 16 6.951 -6.278 -2.872
133 H TRP 17 H TRP 17 1.869 -3.515 -0.598
134 HA TRP 17 HA TRP 17 0.218 -5.698 0.423
135 HB2 TRP 17 HB2 TRP 17 2.101 -4.671 1.753
136 HB3 TRP 17 HB3 TRP 17 1.477 -3.258 1.715
137 HD1 TRP 17 HD1 TRP 17 0.075 -2.501 3.679
138 HE1 TRP 17 HE1 TRP 17 -1.146 -3.602 5.651
139 HE3 TRP 17 HE3 TRP 17 0.689 -7.423 2.371
140 HZ2 TRP 17 HZ2 TRP 17 -1.762 -6.268 6.556
141 HZ3 TRP 17 HZ3 TRP 17 -0.218 -9.224 3.824
142 HH2 TRP 17 HH2 TRP 17 -1.413 -8.662 5.928
143 H SER 18 H SER 18 -0.214 -2.116 0.368
144 HA SER 18 HA SER 18 -2.854 -2.128 1.421
145 HB2 SER 18 HB2 SER 18 -2.818 0.266 0.755
146 HB3 SER 18 HB3 SER 18 -1.499 -0.127 1.452
147 HG SER 18 HG SER 18 -0.390 -0.137 -0.422
148 H ALA 19 H ALA 19 -1.837 -2.853 -1.840
149 HA ALA 19 HA ALA 19 -4.307 -2.425 -3.203
150 HB1 ALA 19 HB1 ALA 19 -2.112 -2.772 -4.302
151 HB2 ALA 19 HB2 ALA 19 -2.110 -4.466 -3.752
152 HB3 ALA 19 HB3 ALA 19 -3.339 -3.903 -4.900
153 H GLY 20 H GLY 20 -3.539 -4.809 -0.814
154 HA2 GLY 20 HA2 GLY 20 -6.152 -6.199 -1.331
155 HA3 GLY 20 HA3 GLY 20 -4.677 -7.117 -1.030
156 H ABA 21 H ABU 21 -3.808 -5.053 0.998
157 HA ABA 21 HA ABU 21 -3.660 -4.968 3.232
158 HB3 ABA 21 HB3 ABU 21 -6.522 -4.013 2.954
159 HB2 ABA 21 HB2 ABU 21 -5.103 -3.093 2.443
160 HG1 ABA 21 HG1 ABU 21 -5.826 -2.361 4.657
161 HG3 ABA 21 HG3 ABU 21 -4.229 -3.127 4.766
162 HG2 ABA 21 HG2 ABU 21 -5.682 -4.010 5.293
163 H TYR 22 H TYR 22 -3.304 -6.998 3.998
164 HA TYR 22 HA TYR 22 -3.564 -8.952 5.058
165 HB2 TYR 22 HB2 TYR 22 -6.372 -8.411 5.861
166 HB3 TYR 22 HB3 TYR 22 -5.419 -9.487 6.481
167 HD1 TYR 22 HD1 TYR 22 -3.316 -8.841 7.778
168 HD2 TYR 22 HD2 TYR 22 -6.418 -6.042 6.705
169 HE1 TYR 22 HE1 TYR 22 -2.571 -7.311 9.603
170 HE2 TYR 22 HE2 TYR 22 -5.677 -4.518 8.530
171 HH TYR 22 HH TYR 22 -4.215 -4.193 10.265
172 H ALA 23 H ALA 23 -4.280 -8.575 2.192
173 HA ALA 23 HA ALA 23 -5.275 -9.579 0.417
174 HB1 ALA 23 HB1 ALA 23 -4.911 -11.987 0.255
175 HB2 ALA 23 HB2 ALA 23 -3.519 -11.194 1.013
176 HB3 ALA 23 HB3 ALA 23 -4.679 -12.099 2.013
177 H ARG 24 H ARG 24 -7.101 -8.456 1.929
178 HA ARG 24 HA ARG 24 -9.472 -10.266 2.243
179 HB2 ARG 24 HB2 ARG 24 -8.428 -9.554 4.319
180 HB3 ARG 24 HB3 ARG 24 -8.276 -8.030 3.894
181 HG2 ARG 24 HG2 ARG 24 -10.044 -8.095 5.488
182 HG3 ARG 24 HG3 ARG 24 -10.563 -7.514 4.177
183 HD2 ARG 24 HD2 ARG 24 -11.531 -9.972 3.687
184 HD3 ARG 24 HD3 ARG 24 -11.044 -10.382 5.086
185 HE ARG 24 HE ARG 24 -12.805 -9.268 6.099
186 HH11 ARG 24 HH11 ARG 24 -12.430 -7.829 2.910
187 HH12 ARG 24 HH12 ARG 24 -13.891 -6.874 3.077
188 HH21 ARG 24 HH21 ARG 24 -14.638 -7.964 6.235
189 HH22 ARG 24 HH22 ARG 24 -15.053 -6.941 4.883
190 H GLY 25 H GLY 25 -8.471 -8.334 -0.003
191 HA2 GLY 25 HA2 GLY 25 -9.679 -7.388 -1.748
192 HA3 GLY 25 HA3 GLY 25 -11.162 -7.504 -0.798
193 H VAL 26 H VAL 26 -8.325 -5.881 0.496
194 HA VAL 26 HA VAL 26 -8.104 -3.838 1.428
195 HB VAL 26 HB VAL 26 -7.049 -3.524 -0.602
196 HG11 VAL 26 HG11 VAL 26 -9.633 -2.554 -1.861
197 HG12 VAL 26 HG12 VAL 26 -8.009 -2.383 -2.562
198 HG13 VAL 26 HG13 VAL 26 -8.687 -3.989 -2.303
199 HG21 VAL 26 HG21 VAL 26 -8.598 -0.988 0.007
200 HG22 VAL 26 HG22 VAL 26 -7.193 -1.599 0.921
201 HG23 VAL 26 HG23 VAL 26 -7.021 -1.118 -0.771
202 HA PRO 27 HA PRO 27 -12.518 -3.679 2.622
203 HB2 PRO 27 HB2 PRO 27 -11.465 -2.492 5.136
204 HB3 PRO 27 HB3 PRO 27 -12.568 -3.431 4.973
205 HG2 PRO 27 HG2 PRO 27 -10.364 -4.836 5.391
206 HG3 PRO 27 HG3 PRO 27 -11.319 -5.362 4.338
207 HD2 PRO 27 HD2 PRO 27 -8.799 -4.014 3.502
208 HD3 PRO 27 HD3 PRO 27 -9.482 -5.205 2.907
209 H LEU 28 H LEU 28 -10.426 -0.775 3.069
210 HA LEU 28 HA LEU 28 -12.607 1.073 3.051
211 HB2 LEU 28 HB2 LEU 28 -10.936 2.735 3.099
212 HB3 LEU 28 HB3 LEU 28 -10.626 1.632 4.196
213 HG LEU 28 HG LEU 28 -8.622 2.535 3.202
214 HD11 LEU 28 HD11 LEU 28 -7.346 0.555 2.882
215 HD12 LEU 28 HD12 LEU 28 -8.762 -0.391 2.421
216 HD13 LEU 28 HD13 LEU 28 -8.586 0.205 4.094
217 HD21 LEU 28 HD21 LEU 28 -9.441 2.907 0.887
218 HD22 LEU 28 HD22 LEU 28 -9.312 1.161 0.592
219 HD23 LEU 28 HD23 LEU 28 -7.864 2.103 0.970
220 H SER 29 H SER 29 -11.430 -0.634 0.421
221 HA SER 29 HA SER 29 -12.863 1.166 -1.473
222 HB2 SER 29 HB2 SER 29 -10.283 -0.230 -2.209
223 HB3 SER 29 HB3 SER 29 -11.224 0.455 -3.229
224 HG SER 29 HG SER 29 -9.571 1.856 -2.474
225 H GLU 30 H GLU 30 -13.090 -1.729 0.021
226 HA GLU 30 HA GLU 30 -13.607 -3.620 -2.042
227 HB2 GLU 30 HB2 GLU 30 -13.461 -3.775 0.665
228 HB3 GLU 30 HB3 GLU 30 -14.985 -3.555 0.632
229 HG2 GLU 30 HG2 GLU 30 -14.968 -5.637 -1.084
230 HG3 GLU 30 HG3 GLU 30 -13.530 -5.883 -0.657
231 HA PRO 31 HA PRO 31 -17.449 -2.091 -3.738
232 HB2 PRO 31 HB2 PRO 31 -18.475 -4.832 -4.152
233 HB3 PRO 31 HB3 PRO 31 -18.465 -3.708 -5.089
234 HG2 PRO 31 HG2 PRO 31 -16.307 -5.183 -5.518
235 HG3 PRO 31 HG3 PRO 31 -16.141 -3.682 -5.609
236 HD2 PRO 31 HD2 PRO 31 -15.120 -5.121 -3.209
237 HD3 PRO 31 HD3 PRO 31 -14.524 -3.970 -3.965
238 HA PRO 32 HA PRO 32 -20.718 -3.696 -0.528
239 HB2 PRO 32 HB2 PRO 32 -19.301 -4.801 1.786
240 HB3 PRO 32 HB3 PRO 32 -20.538 -5.272 1.174
241 HG2 PRO 32 HG2 PRO 32 -18.540 -6.787 0.297
242 HG3 PRO 32 HG3 PRO 32 -19.593 -6.412 -0.709
243 HD2 PRO 32 HD2 PRO 32 -16.997 -4.884 -0.680
244 HD3 PRO 32 HD3 PRO 32 -17.676 -5.524 -1.820
245 H GLN 33 H GLN 33 -17.684 -2.096 0.249
246 HA GLN 33 HA GLN 33 -19.037 -0.190 2.113
247 HB2 GLN 33 HB2 GLN 33 -16.111 -0.538 1.544
248 HB3 GLN 33 HB3 GLN 33 -16.655 0.694 2.345
249 HG2 GLN 33 HG2 GLN 33 -16.309 -0.677 4.177
250 HG3 GLN 33 HG3 GLN 33 -17.807 -0.827 4.033
251 HE21 GLN 33 HE21 GLN 33 -14.839 -2.464 2.855
252 HE22 GLN 33 HE22 GLN 33 -15.498 -4.098 2.891
253 H ALA 34 H ALA 34 -18.621 -0.507 -1.177
254 HA ALA 34 HA ALA 34 -18.462 0.853 -2.967
255 HB1 ALA 34 HB1 ALA 34 -20.260 2.502 -3.019
256 HB2 ALA 34 HB2 ALA 34 -20.778 1.040 -2.162
257 HB3 ALA 34 HB3 ALA 34 -20.345 2.502 -1.243
258 H LEU 35 H LEU 35 -16.184 1.274 -1.461
259 HA LEU 35 HA LEU 35 -14.423 2.602 -1.050
260 HB2 LEU 35 HB2 LEU 35 -15.197 4.354 -3.340
261 HB3 LEU 35 HB3 LEU 35 -13.771 4.235 -2.692
262 HG LEU 35 HG LEU 35 -13.974 1.622 -3.316
263 HD11 LEU 35 HD11 LEU 35 -14.999 1.370 -5.550
264 HD12 LEU 35 HD12 LEU 35 -15.644 3.023 -5.449
265 HD13 LEU 35 HD13 LEU 35 -16.223 1.760 -4.344
266 HD21 LEU 35 HD21 LEU 35 -12.739 2.139 -5.383
267 HD22 LEU 35 HD22 LEU 35 -12.189 3.144 -4.036
268 HD23 LEU 35 HD23 LEU 35 -13.260 3.838 -5.275
269 HN1 NH2 36 H1 NHE 36 -16.999 3.402 0.391
270 HN2 NH2 36 H2 NHE 36 -16.613 5.008 0.980
Start of MODEL 8
1 H1 ARG 1 H1 ARG 1 8.140 11.709 -4.741
2 H2 ARG 1 H2 ARG 1 7.717 10.267 -4.099
3 H3 ARG 1 H3 ARG 1 8.764 10.328 -5.354
4 HA ARG 1 HA ARG 1 9.298 11.412 -2.657
5 HB2 ARG 1 HB2 ARG 1 10.220 8.835 -3.885
6 HB3 ARG 1 HB3 ARG 1 11.203 9.528 -2.910
7 HG2 ARG 1 HG2 ARG 1 8.495 8.626 -1.976
8 HG3 ARG 1 HG3 ARG 1 9.832 7.879 -1.738
9 HD2 ARG 1 HD2 ARG 1 10.600 10.251 -0.592
10 HD3 ARG 1 HD3 ARG 1 9.113 10.578 -0.560
11 HE ARG 1 HE ARG 1 9.140 7.975 0.491
12 HH11 ARG 1 HH11 ARG 1 10.407 11.104 1.473
13 HH12 ARG 1 HH12 ARG 1 10.675 10.568 3.108
14 HH21 ARG 1 HH21 ARG 1 9.699 7.327 2.463
15 HH22 ARG 1 HH22 ARG 1 10.211 8.478 3.694
16 H ASP 2 H ASP 2 10.589 13.132 -2.748
17 HA ASP 2 HA ASP 2 12.300 13.756 -4.981
18 HB2 ASP 2 HB2 ASP 2 11.322 15.422 -3.305
19 HB3 ASP 2 HB3 ASP 2 12.150 14.894 -2.172
20 HA PRO 3 HA PRO 3 16.036 12.367 -2.412
21 HB2 PRO 3 HB2 PRO 3 15.964 11.062 -0.091
22 HB3 PRO 3 HB3 PRO 3 15.717 12.562 -0.149
23 HG2 PRO 3 HG2 PRO 3 13.426 10.688 0.187
24 HG3 PRO 3 HG3 PRO 3 13.665 11.949 0.887
25 HD2 PRO 3 HD2 PRO 3 12.122 12.331 -1.302
26 HD3 PRO 3 HD3 PRO 3 13.070 13.436 -0.821
27 H LEU 4 H LEU 4 13.532 9.836 -2.268
28 HA LEU 4 HA LEU 4 13.488 7.632 -2.750
29 HB2 LEU 4 HB2 LEU 4 13.784 9.152 -5.088
30 HB3 LEU 4 HB3 LEU 4 14.831 8.116 -5.378
31 HG LEU 4 HG LEU 4 11.983 7.332 -4.588
32 HD11 LEU 4 HD11 LEU 4 12.075 8.552 -6.724
33 HD12 LEU 4 HD12 LEU 4 11.654 6.851 -6.976
34 HD13 LEU 4 HD13 LEU 4 13.302 7.418 -7.330
35 HD21 LEU 4 HD21 LEU 4 14.180 5.607 -5.801
36 HD22 LEU 4 HD22 LEU 4 12.494 5.111 -5.534
37 HD23 LEU 4 HD23 LEU 4 13.537 5.470 -4.153
38 H LEU 5 H LEU 5 15.800 8.116 -1.149
39 HA LEU 5 HA LEU 5 18.104 6.730 -2.201
40 HB2 LEU 5 HB2 LEU 5 17.523 7.316 0.689
41 HB3 LEU 5 HB3 LEU 5 18.900 6.832 0.171
42 HG LEU 5 HG LEU 5 17.678 9.468 -0.748
43 HD11 LEU 5 HD11 LEU 5 18.308 9.451 1.634
44 HD12 LEU 5 HD12 LEU 5 19.376 10.497 0.687
45 HD13 LEU 5 HD13 LEU 5 19.940 8.891 1.203
46 HD21 LEU 5 HD21 LEU 5 19.208 8.633 -2.464
47 HD22 LEU 5 HD22 LEU 5 20.448 8.288 -1.232
48 HD23 LEU 5 HD23 LEU 5 19.968 9.963 -1.591
49 H ASP 6 H ASP 6 15.357 5.602 -0.290
50 HA ASP 6 HA ASP 6 16.163 2.791 -0.832
51 HB2 ASP 6 HB2 ASP 6 16.855 3.720 1.583
52 HB3 ASP 6 HB3 ASP 6 15.387 3.739 1.953
53 H ALA 7 H ALA 7 13.767 4.989 -1.161
54 HA ALA 7 HA ALA 7 11.430 3.856 -0.096
55 HB1 ALA 7 HB1 ALA 7 10.261 5.270 -1.714
56 HB2 ALA 7 HB2 ALA 7 11.612 6.142 -0.972
57 HB3 ALA 7 HB3 ALA 7 11.758 5.507 -2.629
58 H NLE 8 H NLE 8 13.107 3.025 -3.112
59 HA NLE 8 HA NLE 8 11.104 1.555 -4.382
60 HB2 NLE 8 HB2 NLE 8 12.716 0.706 -5.816
61 HB3 NLE 8 HB3 NLE 8 13.277 2.302 -5.384
62 HG2 NLE 8 HG2 NLE 8 14.330 -0.363 -4.314
63 HG3 NLE 8 HG3 NLE 8 15.085 0.623 -5.548
64 HD2 NLE 8 HD2 NLE 8 14.781 1.402 -2.618
65 HD3 NLE 8 HD3 NLE 8 16.238 0.803 -3.401
66 HE1 NLE 8 HE1 NLE 8 16.233 2.794 -4.922
67 HE2 NLE 8 HE2 NLE 8 14.847 3.443 -4.015
68 HE3 NLE 8 HE3 NLE 8 16.405 3.211 -3.208
69 H ARG 9 H ARG 9 12.915 0.557 -1.579
70 HA ARG 9 HA ARG 9 11.960 -2.277 -1.810
71 HB2 ARG 9 HB2 ARG 9 13.599 -1.161 0.443
72 HB3 ARG 9 HB3 ARG 9 13.211 -2.649 0.266
73 HG2 ARG 9 HG2 ARG 9 14.532 -2.480 -2.071
74 HG3 ARG 9 HG3 ARG 9 15.059 -1.133 -1.619
75 HD2 ARG 9 HD2 ARG 9 15.716 -3.662 -0.099
76 HD3 ARG 9 HD3 ARG 9 16.690 -2.829 -0.946
77 HE ARG 9 HE ARG 9 16.188 -0.844 0.695
78 HH11 ARG 9 HH11 ARG 9 16.483 -4.194 1.702
79 HH12 ARG 9 HH12 ARG 9 16.750 -3.743 3.364
80 HH21 ARG 9 HH21 ARG 9 16.341 -0.361 2.781
81 HH22 ARG 9 HH22 ARG 9 16.732 -1.603 3.958
82 H ARG 10 H ARG 10 11.942 0.216 0.727
83 HA ARG 10 HA ARG 10 9.941 -1.098 2.275
84 HB2 ARG 10 HB2 ARG 10 10.310 0.759 3.784
85 HB3 ARG 10 HB3 ARG 10 11.671 0.253 3.246
86 HG2 ARG 10 HG2 ARG 10 11.077 2.359 1.450
87 HG3 ARG 10 HG3 ARG 10 10.355 2.885 2.664
88 HD2 ARG 10 HD2 ARG 10 13.310 2.210 2.788
89 HD3 ARG 10 HD3 ARG 10 12.741 3.635 2.598
90 HE ARG 10 HE ARG 10 11.483 3.222 4.865
91 HH11 ARG 10 HH11 ARG 10 14.738 1.981 4.169
92 HH12 ARG 10 HH12 ARG 10 15.201 2.154 5.840
93 HH21 ARG 10 HH21 ARG 10 12.189 3.349 6.948
94 HH22 ARG 10 HH22 ARG 10 13.811 2.875 7.355
95 H GLU 11 H GLU 11 9.574 1.865 0.297
96 HA GLU 11 HA GLU 11 6.661 1.919 0.804
97 HB2 GLU 11 HB2 GLU 11 8.336 3.760 -0.894
98 HB3 GLU 11 HB3 GLU 11 6.822 3.893 -0.824
99 HG2 GLU 11 HG2 GLU 11 6.797 4.354 1.593
100 HG3 GLU 11 HG3 GLU 11 8.150 3.719 1.886
101 H GLY 12 H GLY 12 8.883 0.918 -1.782
102 HA2 GLY 12 HA2 GLY 12 7.043 0.241 -3.818
103 HA3 GLY 12 HA3 GLY 12 8.545 -0.622 -3.460
104 H ALA 13 H ALA 13 8.003 -1.726 -0.930
105 HA ALA 13 HA ALA 13 6.224 -3.905 -1.478
106 HB1 ALA 13 HB1 ALA 13 8.182 -4.098 -0.018
107 HB2 ALA 13 HB2 ALA 13 7.458 -2.958 1.139
108 HB3 ALA 13 HB3 ALA 13 6.701 -4.540 0.851
109 H NLE 14 H NLE 14 5.822 -1.050 0.696
110 HA NLE 14 HA NLE 14 3.223 -1.712 1.607
111 HB2 NLE 14 HB2 NLE 14 4.610 0.965 1.318
112 HB3 NLE 14 HB3 NLE 14 3.015 0.775 2.059
113 HG2 NLE 14 HG2 NLE 14 3.935 -0.837 3.696
114 HG3 NLE 14 HG3 NLE 14 5.551 -0.616 3.036
115 HD2 NLE 14 HD2 NLE 14 3.850 1.560 4.334
116 HD3 NLE 14 HD3 NLE 14 5.154 0.666 5.119
117 HE1 NLE 14 HE1 NLE 14 6.781 1.606 3.472
118 HE2 NLE 14 HE2 NLE 14 5.465 2.581 2.768
119 HE3 NLE 14 HE3 NLE 14 5.972 2.850 4.442
120 H ASP 15 H ASP 15 4.177 -0.054 -1.393
121 HA ASP 15 HA ASP 15 1.602 0.764 -2.258
122 HB2 ASP 15 HB2 ASP 15 3.951 1.312 -3.262
123 HB3 ASP 15 HB3 ASP 15 4.009 -0.050 -3.922
124 H PHE 16 H PHE 16 2.886 -2.504 -2.153
125 HA PHE 16 HA PHE 16 0.467 -3.404 -3.668
126 HB2 PHE 16 HB2 PHE 16 1.625 -5.277 -4.443
127 HB3 PHE 16 HB3 PHE 16 2.430 -4.014 -4.871
128 HD1 PHE 16 HD1 PHE 16 2.427 -6.538 -2.043
129 HD2 PHE 16 HD2 PHE 16 4.761 -4.060 -4.696
130 HE1 PHE 16 HE1 PHE 16 4.503 -7.611 -1.224
131 HE2 PHE 16 HE2 PHE 16 6.830 -5.176 -3.910
132 HZ PHE 16 HZ PHE 16 6.709 -6.946 -2.164
133 H TRP 17 H TRP 17 1.938 -3.478 -0.514
134 HA TRP 17 HA TRP 17 0.122 -5.485 0.571
135 HB2 TRP 17 HB2 TRP 17 2.064 -4.478 1.870
136 HB3 TRP 17 HB3 TRP 17 1.467 -3.057 1.806
137 HD1 TRP 17 HD1 TRP 17 0.068 -2.255 3.761
138 HE1 TRP 17 HE1 TRP 17 -1.189 -3.317 5.733
139 HE3 TRP 17 HE3 TRP 17 0.605 -7.195 2.498
140 HZ2 TRP 17 HZ2 TRP 17 -1.871 -5.965 6.647
141 HZ3 TRP 17 HZ3 TRP 17 -0.355 -8.969 3.950
142 HH2 TRP 17 HH2 TRP 17 -1.571 -8.370 6.031
143 H SER 18 H SER 18 -0.077 -1.890 0.353
144 HA SER 18 HA SER 18 -2.740 -1.681 1.337
145 HB2 SER 18 HB2 SER 18 -2.514 0.676 0.579
146 HB3 SER 18 HB3 SER 18 -1.250 0.220 1.339
147 HG SER 18 HG SER 18 -0.082 0.047 -0.501
148 H ALA 19 H ALA 19 -1.680 -2.579 -1.864
149 HA ALA 19 HA ALA 19 -4.074 -2.034 -3.319
150 HB1 ALA 19 HB1 ALA 19 -1.866 -2.530 -4.334
151 HB2 ALA 19 HB2 ALA 19 -1.983 -4.209 -3.753
152 HB3 ALA 19 HB3 ALA 19 -3.136 -3.598 -4.954
153 H GLY 20 H GLY 20 -3.501 -4.435 -0.883
154 HA2 GLY 20 HA2 GLY 20 -6.172 -5.690 -1.459
155 HA3 GLY 20 HA3 GLY 20 -4.754 -6.669 -1.083
156 H ABA 21 H ABU 21 -3.926 -4.498 0.919
157 HA ABA 21 HA ABU 21 -3.872 -4.337 3.154
158 HB3 ABA 21 HB3 ABU 21 -6.744 -3.460 2.741
159 HB2 ABA 21 HB2 ABU 21 -5.331 -2.522 2.250
160 HG1 ABA 21 HG1 ABU 21 -6.159 -1.741 4.412
161 HG3 ABA 21 HG3 ABU 21 -4.541 -2.448 4.598
162 HG2 ABA 21 HG2 ABU 21 -5.981 -3.362 5.109
163 H TYR 22 H TYR 22 -3.514 -6.463 3.734
164 HA TYR 22 HA TYR 22 -3.742 -8.365 4.902
165 HB2 TYR 22 HB2 TYR 22 -6.608 -7.930 5.553
166 HB3 TYR 22 HB3 TYR 22 -5.664 -9.010 6.202
167 HD1 TYR 22 HD1 TYR 22 -3.586 -8.316 7.555
168 HD2 TYR 22 HD2 TYR 22 -6.841 -5.663 6.568
169 HE1 TYR 22 HE1 TYR 22 -2.987 -6.857 9.488
170 HE2 TYR 22 HE2 TYR 22 -6.250 -4.214 8.502
171 HH TYR 22 HH TYR 22 -4.855 -3.904 10.294
172 H ALA 23 H ALA 23 -4.415 -7.983 1.981
173 HA ALA 23 HA ALA 23 -5.329 -9.027 0.184
174 HB1 ALA 23 HB1 ALA 23 -4.870 -11.415 -0.001
175 HB2 ALA 23 HB2 ALA 23 -3.513 -10.576 0.772
176 HB3 ALA 23 HB3 ALA 23 -4.640 -11.537 1.756
177 H ARG 24 H ARG 24 -7.203 -7.970 1.603
178 HA ARG 24 HA ARG 24 -9.478 -9.866 2.081
179 HB2 ARG 24 HB2 ARG 24 -8.359 -8.971 4.055
180 HB3 ARG 24 HB3 ARG 24 -8.336 -7.465 3.527
181 HG2 ARG 24 HG2 ARG 24 -10.005 -7.564 5.243
182 HG3 ARG 24 HG3 ARG 24 -10.618 -7.069 3.943
183 HD2 ARG 24 HD2 ARG 24 -11.456 -9.602 3.594
184 HD3 ARG 24 HD3 ARG 24 -10.877 -9.925 4.977
185 HE ARG 24 HE ARG 24 -12.661 -8.891 6.035
186 HH11 ARG 24 HH11 ARG 24 -12.501 -7.523 2.794
187 HH12 ARG 24 HH12 ARG 24 -14.013 -6.657 3.004
188 HH21 ARG 24 HH21 ARG 24 -14.565 -7.699 6.209
189 HH22 ARG 24 HH22 ARG 24 -15.094 -6.741 4.849
190 H GLY 25 H GLY 25 -8.689 -8.063 -0.325
191 HA2 GLY 25 HA2 GLY 25 -9.922 -7.044 -2.001
192 HA3 GLY 25 HA3 GLY 25 -11.385 -7.212 -1.025
193 H VAL 26 H VAL 26 -8.608 -5.612 0.358
194 HA VAL 26 HA VAL 26 -8.449 -3.624 1.400
195 HB VAL 26 HB VAL 26 -7.213 -3.270 -0.493
196 HG11 VAL 26 HG11 VAL 26 -9.673 -2.312 -1.978
197 HG12 VAL 26 HG12 VAL 26 -7.997 -2.090 -2.525
198 HG13 VAL 26 HG13 VAL 26 -8.658 -3.716 -2.349
199 HG21 VAL 26 HG21 VAL 26 -8.780 -0.715 -0.064
200 HG22 VAL 26 HG22 VAL 26 -7.543 -1.355 1.049
201 HG23 VAL 26 HG23 VAL 26 -7.103 -0.888 -0.600
202 HA PRO 27 HA PRO 27 -12.847 -3.448 2.403
203 HB2 PRO 27 HB2 PRO 27 -11.966 -2.035 4.868
204 HB3 PRO 27 HB3 PRO 27 -13.016 -3.037 4.728
205 HG2 PRO 27 HG2 PRO 27 -10.763 -4.297 5.324
206 HG3 PRO 27 HG3 PRO 27 -11.651 -4.947 4.286
207 HD2 PRO 27 HD2 PRO 27 -9.167 -3.560 3.430
208 HD3 PRO 27 HD3 PRO 27 -9.800 -4.803 2.886
209 H LEU 28 H LEU 28 -10.979 -0.365 2.713
210 HA LEU 28 HA LEU 28 -13.303 1.289 2.513
211 HB2 LEU 28 HB2 LEU 28 -11.772 3.092 2.452
212 HB3 LEU 28 HB3 LEU 28 -11.432 2.121 3.654
213 HG LEU 28 HG LEU 28 -9.466 3.103 2.620
214 HD11 LEU 28 HD11 LEU 28 -8.018 1.228 2.631
215 HD12 LEU 28 HD12 LEU 28 -9.311 0.100 2.222
216 HD13 LEU 28 HD13 LEU 28 -9.294 0.910 3.812
217 HD21 LEU 28 HD21 LEU 28 -10.203 3.096 0.248
218 HD22 LEU 28 HD22 LEU 28 -9.923 1.342 0.196
219 HD23 LEU 28 HD23 LEU 28 -8.572 2.445 0.495
220 H SER 29 H SER 29 -11.916 -0.487 0.039
221 HA SER 29 HA SER 29 -13.401 1.088 -2.026
222 HB2 SER 29 HB2 SER 29 -10.829 -0.401 -2.608
223 HB3 SER 29 HB3 SER 29 -11.733 0.255 -3.675
224 HG SER 29 HG SER 29 -10.037 1.634 -2.981
225 H GLU 30 H GLU 30 -13.381 -1.790 -0.325
226 HA GLU 30 HA GLU 30 -14.069 -3.761 -2.249
227 HB2 GLU 30 HB2 GLU 30 -13.676 -3.809 0.436
228 HB3 GLU 30 HB3 GLU 30 -15.191 -3.566 0.538
229 HG2 GLU 30 HG2 GLU 30 -15.318 -5.727 -1.110
230 HG3 GLU 30 HG3 GLU 30 -13.858 -5.970 -0.731
231 HA PRO 31 HA PRO 31 -18.031 -2.282 -3.685
232 HB2 PRO 31 HB2 PRO 31 -19.082 -5.034 -3.957
233 HB3 PRO 31 HB3 PRO 31 -19.142 -3.932 -4.916
234 HG2 PRO 31 HG2 PRO 31 -17.014 -5.416 -5.467
235 HG3 PRO 31 HG3 PRO 31 -16.862 -3.914 -5.605
236 HD2 PRO 31 HD2 PRO 31 -15.665 -5.298 -3.252
237 HD3 PRO 31 HD3 PRO 31 -15.127 -4.167 -4.077
238 HA PRO 32 HA PRO 32 -21.038 -3.803 -0.175
239 HB2 PRO 32 HB2 PRO 32 -19.388 -4.780 2.050
240 HB3 PRO 32 HB3 PRO 32 -20.683 -5.278 1.596
241 HG2 PRO 32 HG2 PRO 32 -18.794 -6.838 0.581
242 HG3 PRO 32 HG3 PRO 32 -19.933 -6.493 -0.335
243 HD2 PRO 32 HD2 PRO 32 -17.340 -4.981 -0.605
244 HD3 PRO 32 HD3 PRO 32 -18.125 -5.660 -1.655
245 H GLN 33 H GLN 33 -18.028 -2.061 0.202
246 HA GLN 33 HA GLN 33 -19.341 -0.043 1.987
247 HB2 GLN 33 HB2 GLN 33 -16.411 -0.433 1.514
248 HB3 GLN 33 HB3 GLN 33 -16.987 0.805 2.283
249 HG2 GLN 33 HG2 GLN 33 -16.641 -0.536 4.137
250 HG3 GLN 33 HG3 GLN 33 -18.145 -0.691 3.979
251 HE21 GLN 33 HE21 GLN 33 -15.267 -2.347 2.551
252 HE22 GLN 33 HE22 GLN 33 -15.872 -3.984 2.788
253 H ALA 34 H ALA 34 -19.002 -0.625 -1.208
254 HA ALA 34 HA ALA 34 -18.895 0.588 -3.121
255 HB1 ALA 34 HB1 ALA 34 -20.824 2.083 -3.207
256 HB2 ALA 34 HB2 ALA 34 -21.180 0.649 -2.229
257 HB3 ALA 34 HB3 ALA 34 -20.837 2.203 -1.433
258 H LEU 35 H LEU 35 -16.542 1.277 -2.036
259 HA LEU 35 HA LEU 35 -14.834 2.772 -2.063
260 HB2 LEU 35 HB2 LEU 35 -16.415 4.131 -4.227
261 HB3 LEU 35 HB3 LEU 35 -14.986 4.565 -3.912
262 HG LEU 35 HG LEU 35 -15.320 1.600 -4.423
263 HD11 LEU 35 HD11 LEU 35 -14.936 2.016 -6.823
264 HD12 LEU 35 HD12 LEU 35 -15.097 3.768 -6.554
265 HD13 LEU 35 HD13 LEU 35 -16.485 2.688 -6.290
266 HD21 LEU 35 HD21 LEU 35 -13.040 1.797 -5.229
267 HD22 LEU 35 HD22 LEU 35 -13.123 2.607 -3.654
268 HD23 LEU 35 HD23 LEU 35 -13.100 3.571 -5.134
269 HN1 NH2 36 H1 NHE 36 -17.193 3.440 -0.159
270 HN2 NH2 36 H2 NHE 36 -16.792 5.077 0.325
Start of MODEL 9
1 H1 ARG 1 H1 ARG 1 7.537 11.895 -4.212
2 H2 ARG 1 H2 ARG 1 7.251 10.385 -3.649
3 H3 ARG 1 H3 ARG 1 8.096 10.604 -5.036
4 HA ARG 1 HA ARG 1 8.991 11.470 -2.364
5 HB2 ARG 1 HB2 ARG 1 9.810 9.043 -3.938
6 HB3 ARG 1 HB3 ARG 1 10.893 9.673 -3.049
7 HG2 ARG 1 HG2 ARG 1 8.353 8.615 -1.843
8 HG3 ARG 1 HG3 ARG 1 9.725 7.901 -1.829
9 HD2 ARG 1 HD2 ARG 1 10.635 10.117 -0.587
10 HD3 ARG 1 HD3 ARG 1 9.175 10.547 -0.435
11 HE ARG 1 HE ARG 1 9.152 7.878 0.508
12 HH11 ARG 1 HH11 ARG 1 10.448 10.988 1.522
13 HH12 ARG 1 HH12 ARG 1 10.706 10.433 3.152
14 HH21 ARG 1 HH21 ARG 1 9.714 7.206 2.481
15 HH22 ARG 1 HH22 ARG 1 10.233 8.346 3.716
16 H ASP 2 H ASP 2 11.292 12.049 -2.298
17 HA ASP 2 HA ASP 2 12.276 13.367 -4.790
18 HB2 ASP 2 HB2 ASP 2 11.140 14.974 -3.148
19 HB3 ASP 2 HB3 ASP 2 12.067 14.595 -2.025
20 HA PRO 3 HA PRO 3 16.227 12.338 -2.360
21 HB2 PRO 3 HB2 PRO 3 16.336 11.067 -0.018
22 HB3 PRO 3 HB3 PRO 3 16.051 12.555 -0.082
23 HG2 PRO 3 HG2 PRO 3 13.820 10.640 0.409
24 HG3 PRO 3 HG3 PRO 3 14.077 11.906 1.086
25 HD2 PRO 3 HD2 PRO 3 12.399 12.262 -0.993
26 HD3 PRO 3 HD3 PRO 3 13.372 13.381 -0.607
27 H LEU 4 H LEU 4 13.715 9.854 -2.255
28 HA LEU 4 HA LEU 4 13.571 7.699 -2.884
29 HB2 LEU 4 HB2 LEU 4 14.200 9.335 -5.105
30 HB3 LEU 4 HB3 LEU 4 15.107 8.169 -5.390
31 HG LEU 4 HG LEU 4 12.126 7.797 -4.834
32 HD11 LEU 4 HD11 LEU 4 12.597 8.993 -6.939
33 HD12 LEU 4 HD12 LEU 4 11.943 7.377 -7.250
34 HD13 LEU 4 HD13 LEU 4 13.684 7.682 -7.449
35 HD21 LEU 4 HD21 LEU 4 14.140 5.764 -5.875
36 HD22 LEU 4 HD22 LEU 4 12.382 5.524 -5.755
37 HD23 LEU 4 HD23 LEU 4 13.346 5.725 -4.288
38 H LEU 5 H LEU 5 15.886 8.001 -1.161
39 HA LEU 5 HA LEU 5 18.132 6.529 -2.163
40 HB2 LEU 5 HB2 LEU 5 17.396 6.980 0.721
41 HB3 LEU 5 HB3 LEU 5 18.762 6.402 0.282
42 HG LEU 5 HG LEU 5 17.859 9.164 -0.639
43 HD11 LEU 5 HD11 LEU 5 18.188 9.047 1.797
44 HD12 LEU 5 HD12 LEU 5 19.454 10.010 1.022
45 HD13 LEU 5 HD13 LEU 5 19.805 8.348 1.554
46 HD21 LEU 5 HD21 LEU 5 19.523 8.231 -2.181
47 HD22 LEU 5 HD22 LEU 5 20.567 7.770 -0.816
48 HD23 LEU 5 HD23 LEU 5 20.266 9.483 -1.186
49 H ASP 6 H ASP 6 15.270 5.411 -0.394
50 HA ASP 6 HA ASP 6 15.929 2.613 -1.147
51 HB2 ASP 6 HB2 ASP 6 16.700 3.325 1.325
52 HB3 ASP 6 HB3 ASP 6 15.242 3.367 1.719
53 H ALA 7 H ALA 7 13.624 4.945 -1.221
54 HA ALA 7 HA ALA 7 11.252 3.842 -0.220
55 HB1 ALA 7 HB1 ALA 7 10.134 5.407 -1.733
56 HB2 ALA 7 HB2 ALA 7 11.521 6.168 -0.935
57 HB3 ALA 7 HB3 ALA 7 11.641 5.650 -2.636
58 H NLE 8 H NLE 8 12.809 3.213 -3.352
59 HA NLE 8 HA NLE 8 10.735 1.883 -4.656
60 HB2 NLE 8 HB2 NLE 8 12.271 1.154 -6.225
61 HB3 NLE 8 HB3 NLE 8 12.898 2.684 -5.661
62 HG2 NLE 8 HG2 NLE 8 13.904 -0.104 -4.911
63 HG3 NLE 8 HG3 NLE 8 14.651 0.994 -6.051
64 HD2 NLE 8 HD2 NLE 8 14.453 1.450 -3.045
65 HD3 NLE 8 HD3 NLE 8 15.868 0.903 -3.934
66 HE1 NLE 8 HE1 NLE 8 16.119 3.265 -3.485
67 HE2 NLE 8 HE2 NLE 8 15.871 3.054 -5.227
68 HE3 NLE 8 HE3 NLE 8 14.540 3.630 -4.196
69 H ARG 9 H ARG 9 12.593 0.650 -2.001
70 HA ARG 9 HA ARG 9 11.514 -2.129 -2.398
71 HB2 ARG 9 HB2 ARG 9 13.419 -1.319 -0.231
72 HB3 ARG 9 HB3 ARG 9 12.947 -2.765 -0.532
73 HG2 ARG 9 HG2 ARG 9 14.073 -2.390 -2.939
74 HG3 ARG 9 HG3 ARG 9 14.685 -1.108 -2.404
75 HD2 ARG 9 HD2 ARG 9 15.400 -3.796 -1.230
76 HD3 ARG 9 HD3 ARG 9 16.323 -2.873 -2.038
77 HE ARG 9 HE ARG 9 15.986 -1.099 -0.143
78 HH11 ARG 9 HH11 ARG 9 16.168 -4.547 0.501
79 HH12 ARG 9 HH12 ARG 9 16.467 -4.279 2.197
80 HH21 ARG 9 HH21 ARG 9 16.189 -0.840 1.954
81 HH22 ARG 9 HH22 ARG 9 16.539 -2.203 3.006
82 H ARG 10 H ARG 10 11.863 0.219 0.277
83 HA ARG 10 HA ARG 10 10.029 -1.196 1.946
84 HB2 ARG 10 HB2 ARG 10 10.672 0.444 3.559
85 HB3 ARG 10 HB3 ARG 10 11.937 0.121 2.737
86 HG2 ARG 10 HG2 ARG 10 11.045 2.332 1.315
87 HG3 ARG 10 HG3 ARG 10 10.302 2.662 2.592
88 HD2 ARG 10 HD2 ARG 10 13.314 2.378 2.545
89 HD3 ARG 10 HD3 ARG 10 12.535 3.714 2.604
90 HE ARG 10 HE ARG 10 11.593 3.064 4.832
91 HH11 ARG 10 HH11 ARG 10 14.570 1.386 3.821
92 HH12 ARG 10 HH12 ARG 10 15.037 1.160 5.481
93 HH21 ARG 10 HH21 ARG 10 12.301 2.674 6.873
94 HH22 ARG 10 HH22 ARG 10 13.804 1.841 7.138
95 H GLU 11 H GLU 11 9.465 1.718 -0.005
96 HA GLU 11 HA GLU 11 6.614 1.816 0.874
97 HB2 GLU 11 HB2 GLU 11 8.134 3.754 -0.858
98 HB3 GLU 11 HB3 GLU 11 6.629 3.874 -0.654
99 HG2 GLU 11 HG2 GLU 11 6.806 4.251 1.762
100 HG3 GLU 11 HG3 GLU 11 8.155 3.570 1.929
101 H GLY 12 H GLY 12 8.605 0.973 -1.948
102 HA2 GLY 12 HA2 GLY 12 6.605 0.388 -3.856
103 HA3 GLY 12 HA3 GLY 12 8.122 -0.501 -3.651
104 H ALA 13 H ALA 13 7.786 -1.707 -1.149
105 HA ALA 13 HA ALA 13 6.002 -3.875 -1.609
106 HB1 ALA 13 HB1 ALA 13 8.023 -4.039 -0.232
107 HB2 ALA 13 HB2 ALA 13 7.327 -2.917 0.961
108 HB3 ALA 13 HB3 ALA 13 6.591 -4.513 0.700
109 H NLE 14 H NLE 14 5.611 -1.040 0.588
110 HA NLE 14 HA NLE 14 3.048 -1.768 1.585
111 HB2 NLE 14 HB2 NLE 14 4.370 0.945 1.272
112 HB3 NLE 14 HB3 NLE 14 2.807 0.702 2.064
113 HG2 NLE 14 HG2 NLE 14 3.851 -0.911 3.646
114 HG3 NLE 14 HG3 NLE 14 5.432 -0.581 2.944
115 HD2 NLE 14 HD2 NLE 14 3.638 1.467 4.324
116 HD3 NLE 14 HD3 NLE 14 5.014 0.644 5.061
117 HE1 NLE 14 HE1 NLE 14 6.541 1.708 3.403
118 HE2 NLE 14 HE2 NLE 14 5.153 2.597 2.723
119 HE3 NLE 14 HE3 NLE 14 5.667 2.891 4.392
120 H ASP 15 H ASP 15 3.931 -0.011 -1.387
121 HA ASP 15 HA ASP 15 1.305 0.734 -2.185
122 HB2 ASP 15 HB2 ASP 15 3.634 1.455 -3.157
123 HB3 ASP 15 HB3 ASP 15 3.723 0.158 -3.929
124 H PHE 16 H PHE 16 2.703 -2.466 -2.205
125 HA PHE 16 HA PHE 16 0.321 -3.389 -3.761
126 HB2 PHE 16 HB2 PHE 16 1.547 -5.180 -4.645
127 HB3 PHE 16 HB3 PHE 16 2.256 -3.848 -5.047
128 HD1 PHE 16 HD1 PHE 16 2.532 -6.441 -2.287
129 HD2 PHE 16 HD2 PHE 16 4.582 -3.802 -5.016
130 HE1 PHE 16 HE1 PHE 16 4.703 -7.425 -1.612
131 HE2 PHE 16 HE2 PHE 16 6.748 -4.820 -4.368
132 HZ PHE 16 HZ PHE 16 6.815 -6.632 -2.663
133 H TRP 17 H TRP 17 1.836 -3.581 -0.635
134 HA TRP 17 HA TRP 17 0.093 -5.700 0.358
135 HB2 TRP 17 HB2 TRP 17 2.000 -4.737 1.707
136 HB3 TRP 17 HB3 TRP 17 1.420 -3.306 1.672
137 HD1 TRP 17 HD1 TRP 17 0.056 -2.528 3.655
138 HE1 TRP 17 HE1 TRP 17 -1.214 -3.610 5.606
139 HE3 TRP 17 HE3 TRP 17 0.465 -7.447 2.263
140 HZ2 TRP 17 HZ2 TRP 17 -1.943 -6.264 6.465
141 HZ3 TRP 17 HZ3 TRP 17 -0.517 -9.234 3.683
142 HH2 TRP 17 HH2 TRP 17 -1.690 -8.659 5.795
143 H SER 18 H SER 18 -0.212 -2.107 0.299
144 HA SER 18 HA SER 18 -2.856 -2.016 1.338
145 HB2 SER 18 HB2 SER 18 -2.717 0.375 0.676
146 HB3 SER 18 HB3 SER 18 -1.422 -0.073 1.383
147 HG SER 18 HG SER 18 -0.301 -0.128 -0.485
148 H ALA 19 H ALA 19 -1.858 -2.825 -1.898
149 HA ALA 19 HA ALA 19 -4.293 -2.283 -3.290
150 HB1 ALA 19 HB1 ALA 19 -2.109 -2.759 -4.366
151 HB2 ALA 19 HB2 ALA 19 -2.203 -4.443 -3.794
152 HB3 ALA 19 HB3 ALA 19 -3.390 -3.829 -4.958
153 H GLY 20 H GLY 20 -3.657 -4.671 -0.865
154 HA2 GLY 20 HA2 GLY 20 -6.344 -5.916 -1.358
155 HA3 GLY 20 HA3 GLY 20 -4.921 -6.918 -1.071
156 H ABA 21 H ABU 21 -3.918 -4.896 0.947
157 HA ABA 21 HA ABU 21 -3.754 -4.808 3.183
158 HB3 ABA 21 HB3 ABU 21 -6.561 -3.697 2.896
159 HB2 ABA 21 HB2 ABU 21 -5.090 -2.859 2.392
160 HG1 ABA 21 HG1 ABU 21 -5.777 -2.083 4.601
161 HG3 ABA 21 HG3 ABU 21 -4.229 -2.944 4.721
162 HG2 ABA 21 HG2 ABU 21 -5.736 -3.736 5.241
163 H TYR 22 H TYR 22 -3.516 -6.882 3.890
164 HA TYR 22 HA TYR 22 -3.871 -8.796 5.000
165 HB2 TYR 22 HB2 TYR 22 -6.671 -8.152 5.739
166 HB3 TYR 22 HB3 TYR 22 -5.771 -9.265 6.383
167 HD1 TYR 22 HD1 TYR 22 -3.584 -8.638 7.627
168 HD2 TYR 22 HD2 TYR 22 -6.750 -5.857 6.699
169 HE1 TYR 22 HE1 TYR 22 -2.829 -7.153 9.485
170 HE2 TYR 22 HE2 TYR 22 -6.004 -4.383 8.561
171 HH TYR 22 HH TYR 22 -4.515 -4.090 10.279
172 H ALA 23 H ALA 23 -4.558 -8.374 2.110
173 HA ALA 23 HA ALA 23 -5.586 -9.338 0.330
174 HB1 ALA 23 HB1 ALA 23 -5.313 -11.755 0.151
175 HB2 ALA 23 HB2 ALA 23 -3.889 -11.022 0.912
176 HB3 ALA 23 HB3 ALA 23 -5.080 -11.889 1.907
177 H ARG 24 H ARG 24 -7.360 -8.148 1.827
178 HA ARG 24 HA ARG 24 -9.778 -9.875 2.235
179 HB2 ARG 24 HB2 ARG 24 -8.611 -9.147 4.254
180 HB3 ARG 24 HB3 ARG 24 -8.474 -7.630 3.794
181 HG2 ARG 24 HG2 ARG 24 -10.175 -7.669 5.475
182 HG3 ARG 24 HG3 ARG 24 -10.738 -7.094 4.183
183 HD2 ARG 24 HD2 ARG 24 -11.740 -9.548 3.744
184 HD3 ARG 24 HD3 ARG 24 -11.197 -9.956 5.122
185 HE ARG 24 HE ARG 24 -12.915 -8.832 6.200
186 HH11 ARG 24 HH11 ARG 24 -12.639 -7.400 2.998
187 HH12 ARG 24 HH12 ARG 24 -14.094 -6.447 3.208
188 HH21 ARG 24 HH21 ARG 24 -14.737 -7.521 6.394
189 HH22 ARG 24 HH22 ARG 24 -15.191 -6.495 5.058
190 H GLY 25 H GLY 25 -8.792 -7.999 -0.063
191 HA2 GLY 25 HA2 GLY 25 -9.992 -6.974 -1.763
192 HA3 GLY 25 HA3 GLY 25 -11.457 -7.041 -0.781
193 H VAL 26 H VAL 26 -8.563 -5.556 0.526
194 HA VAL 26 HA VAL 26 -8.283 -3.547 1.511
195 HB VAL 26 HB VAL 26 -7.152 -3.256 -0.479
196 HG11 VAL 26 HG11 VAL 26 -9.635 -2.111 -1.796
197 HG12 VAL 26 HG12 VAL 26 -7.984 -2.040 -2.445
198 HG13 VAL 26 HG13 VAL 26 -8.774 -3.602 -2.232
199 HG21 VAL 26 HG21 VAL 26 -8.584 -0.651 0.111
200 HG22 VAL 26 HG22 VAL 26 -7.265 -1.350 1.088
201 HG23 VAL 26 HG23 VAL 26 -6.978 -0.860 -0.587
202 HA PRO 27 HA PRO 27 -12.691 -3.284 2.624
203 HB2 PRO 27 HB2 PRO 27 -11.677 -2.042 5.128
204 HB3 PRO 27 HB3 PRO 27 -12.789 -2.976 4.965
205 HG2 PRO 27 HG2 PRO 27 -10.608 -4.395 5.444
206 HG3 PRO 27 HG3 PRO 27 -11.550 -4.933 4.389
207 HD2 PRO 27 HD2 PRO 27 -9.003 -3.645 3.556
208 HD3 PRO 27 HD3 PRO 27 -9.712 -4.825 2.966
209 H LEU 28 H LEU 28 -10.647 -0.337 3.038
210 HA LEU 28 HA LEU 28 -12.842 1.479 2.980
211 HB2 LEU 28 HB2 LEU 28 -11.187 3.165 2.923
212 HB3 LEU 28 HB3 LEU 28 -10.853 2.116 4.060
213 HG LEU 28 HG LEU 28 -8.876 3.000 2.975
214 HD11 LEU 28 HD11 LEU 28 -7.578 1.014 2.759
215 HD12 LEU 28 HD12 LEU 28 -8.994 0.020 2.416
216 HD13 LEU 28 HD13 LEU 28 -8.778 0.750 4.031
217 HD21 LEU 28 HD21 LEU 28 -9.734 3.197 0.653
218 HD22 LEU 28 HD22 LEU 28 -9.581 1.436 0.478
219 HD23 LEU 28 HD23 LEU 28 -8.144 2.425 0.770
220 H SER 29 H SER 29 -11.655 -0.271 0.366
221 HA SER 29 HA SER 29 -13.206 1.411 -1.547
222 HB2 SER 29 HB2 SER 29 -10.546 0.158 -2.279
223 HB3 SER 29 HB3 SER 29 -11.533 0.769 -3.306
224 HG SER 29 HG SER 29 -9.961 2.277 -2.593
225 H GLU 30 H GLU 30 -13.294 -1.431 0.011
226 HA GLU 30 HA GLU 30 -13.765 -3.405 -2.000
227 HB2 GLU 30 HB2 GLU 30 -13.598 -3.491 0.702
228 HB3 GLU 30 HB3 GLU 30 -15.120 -3.246 0.686
229 HG2 GLU 30 HG2 GLU 30 -15.135 -5.391 -0.970
230 HG3 GLU 30 HG3 GLU 30 -13.701 -5.640 -0.515
231 HA PRO 31 HA PRO 31 -17.621 -1.969 -3.743
232 HB2 PRO 31 HB2 PRO 31 -18.646 -4.732 -4.019
233 HB3 PRO 31 HB3 PRO 31 -18.655 -3.650 -5.006
234 HG2 PRO 31 HG2 PRO 31 -16.489 -5.126 -5.395
235 HG3 PRO 31 HG3 PRO 31 -16.334 -3.627 -5.549
236 HD2 PRO 31 HD2 PRO 31 -15.278 -4.963 -3.105
237 HD3 PRO 31 HD3 PRO 31 -14.700 -3.835 -3.909
238 HA PRO 32 HA PRO 32 -20.871 -3.391 -0.422
239 HB2 PRO 32 HB2 PRO 32 -19.413 -4.363 1.930
240 HB3 PRO 32 HB3 PRO 32 -20.668 -4.860 1.375
241 HG2 PRO 32 HG2 PRO 32 -18.699 -6.438 0.549
242 HG3 PRO 32 HG3 PRO 32 -19.766 -6.114 -0.460
243 HD2 PRO 32 HD2 PRO 32 -17.157 -4.609 -0.562
244 HD3 PRO 32 HD3 PRO 32 -17.863 -5.305 -1.654
245 H GLN 33 H GLN 33 -17.813 -1.774 0.252
246 HA GLN 33 HA GLN 33 -19.156 0.265 1.983
247 HB2 GLN 33 HB2 GLN 33 -16.227 -0.156 1.481
248 HB3 GLN 33 HB3 GLN 33 -16.769 1.121 2.208
249 HG2 GLN 33 HG2 GLN 33 -16.445 -0.174 4.109
250 HG3 GLN 33 HG3 GLN 33 -17.950 -0.287 3.965
251 HE21 GLN 33 HE21 GLN 33 -15.047 -2.064 2.809
252 HE22 GLN 33 HE22 GLN 33 -15.745 -3.675 2.951
253 H ALA 34 H ALA 34 -18.511 -0.277 -1.277
254 HA ALA 34 HA ALA 34 -18.292 0.986 -3.137
255 HB1 ALA 34 HB1 ALA 34 -20.219 2.457 -3.423
256 HB2 ALA 34 HB2 ALA 34 -20.669 1.003 -2.517
257 HB3 ALA 34 HB3 ALA 34 -20.442 2.546 -1.661
258 H LEU 35 H LEU 35 -16.161 1.698 -1.564
259 HA LEU 35 HA LEU 35 -14.486 3.183 -1.285
260 HB2 LEU 35 HB2 LEU 35 -15.594 4.615 -3.660
261 HB3 LEU 35 HB3 LEU 35 -14.194 4.970 -3.004
262 HG LEU 35 HG LEU 35 -13.295 2.691 -3.449
263 HD11 LEU 35 HD11 LEU 35 -14.399 1.379 -5.288
264 HD12 LEU 35 HD12 LEU 35 -15.861 2.367 -5.068
265 HD13 LEU 35 HD13 LEU 35 -15.270 1.300 -3.768
266 HD21 LEU 35 HD21 LEU 35 -12.933 3.135 -5.838
267 HD22 LEU 35 HD22 LEU 35 -12.847 4.629 -4.898
268 HD23 LEU 35 HD23 LEU 35 -14.305 4.267 -5.849
269 HN1 NH2 36 H1 NHE 36 -17.210 3.825 0.101
270 HN2 NH2 36 H2 NHE 36 -16.918 5.451 0.688
Start of MODEL 10
1 H1 ARG 1 H1 ARG 1 7.859 11.458 -4.660
2 H2 ARG 1 H2 ARG 1 7.452 10.055 -3.929
3 H3 ARG 1 H3 ARG 1 8.368 10.035 -5.285
4 HA ARG 1 HA ARG 1 9.211 11.178 -2.693
5 HB2 ARG 1 HB2 ARG 1 9.944 8.539 -3.926
6 HB3 ARG 1 HB3 ARG 1 11.007 9.223 -3.036
7 HG2 ARG 1 HG2 ARG 1 8.335 8.448 -1.898
8 HG3 ARG 1 HG3 ARG 1 9.644 7.632 -1.752
9 HD2 ARG 1 HD2 ARG 1 10.631 9.956 -0.695
10 HD3 ARG 1 HD3 ARG 1 9.175 10.384 -0.568
11 HE ARG 1 HE ARG 1 9.127 7.785 0.525
12 HH11 ARG 1 HH11 ARG 1 10.578 10.877 1.359
13 HH12 ARG 1 HH12 ARG 1 10.896 10.373 2.995
14 HH21 ARG 1 HH21 ARG 1 9.742 7.165 2.493
15 HH22 ARG 1 HH22 ARG 1 10.370 8.323 3.660
16 H ASP 2 H ASP 2 10.454 12.905 -3.040
17 HA ASP 2 HA ASP 2 11.991 13.292 -5.469
18 HB2 ASP 2 HB2 ASP 2 11.005 15.138 -3.982
19 HB3 ASP 2 HB3 ASP 2 11.942 14.827 -2.852
20 HA PRO 3 HA PRO 3 15.904 12.491 -2.925
21 HB2 PRO 3 HB2 PRO 3 16.032 11.600 -0.429
22 HB3 PRO 3 HB3 PRO 3 15.623 13.037 -0.705
23 HG2 PRO 3 HG2 PRO 3 13.546 11.018 0.006
24 HG3 PRO 3 HG3 PRO 3 13.685 12.377 0.517
25 HD2 PRO 3 HD2 PRO 3 12.042 12.313 -1.633
26 HD3 PRO 3 HD3 PRO 3 12.886 13.554 -1.344
27 H LEU 4 H LEU 4 13.499 9.934 -2.544
28 HA LEU 4 HA LEU 4 13.466 7.706 -2.890
29 HB2 LEU 4 HB2 LEU 4 14.084 9.096 -5.272
30 HB3 LEU 4 HB3 LEU 4 15.063 7.960 -5.393
31 HG LEU 4 HG LEU 4 12.084 7.497 -4.892
32 HD11 LEU 4 HD11 LEU 4 12.584 8.460 -7.104
33 HD12 LEU 4 HD12 LEU 4 12.023 6.786 -7.247
34 HD13 LEU 4 HD13 LEU 4 13.754 7.159 -7.418
35 HD21 LEU 4 HD21 LEU 4 14.232 5.460 -5.607
36 HD22 LEU 4 HD22 LEU 4 12.483 5.148 -5.527
37 HD23 LEU 4 HD23 LEU 4 13.370 5.567 -4.057
38 H LEU 5 H LEU 5 15.686 8.270 -1.130
39 HA LEU 5 HA LEU 5 18.049 6.868 -1.927
40 HB2 LEU 5 HB2 LEU 5 17.210 7.497 0.889
41 HB3 LEU 5 HB3 LEU 5 18.629 7.008 0.516
42 HG LEU 5 HG LEU 5 17.502 9.606 -0.606
43 HD11 LEU 5 HD11 LEU 5 17.854 9.678 1.832
44 HD12 LEU 5 HD12 LEU 5 19.023 10.696 0.980
45 HD13 LEU 5 HD13 LEU 5 19.525 9.111 1.614
46 HD21 LEU 5 HD21 LEU 5 19.228 8.724 -2.102
47 HD22 LEU 5 HD22 LEU 5 20.315 8.434 -0.723
48 HD23 LEU 5 HD23 LEU 5 19.873 10.090 -1.194
49 H ASP 6 H ASP 6 15.228 5.698 -0.120
50 HA ASP 6 HA ASP 6 16.124 2.898 -0.579
51 HB2 ASP 6 HB2 ASP 6 16.754 3.907 1.822
52 HB3 ASP 6 HB3 ASP 6 15.280 3.883 2.170
53 H ALA 7 H ALA 7 13.643 5.035 -0.909
54 HA ALA 7 HA ALA 7 11.349 3.809 0.140
55 HB1 ALA 7 HB1 ALA 7 10.147 5.198 -1.495
56 HB2 ALA 7 HB2 ALA 7 11.450 6.107 -0.706
57 HB3 ALA 7 HB3 ALA 7 11.658 5.506 -2.371
58 H NLE 8 H NLE 8 13.027 3.096 -2.908
59 HA NLE 8 HA NLE 8 11.057 1.626 -4.209
60 HB2 NLE 8 HB2 NLE 8 12.680 0.865 -5.684
61 HB3 NLE 8 HB3 NLE 8 13.210 2.455 -5.190
62 HG2 NLE 8 HG2 NLE 8 14.324 -0.227 -4.234
63 HG3 NLE 8 HG3 NLE 8 15.055 0.832 -5.421
64 HD2 NLE 8 HD2 NLE 8 14.740 1.462 -2.457
65 HD3 NLE 8 HD3 NLE 8 16.208 0.944 -3.276
66 HE1 NLE 8 HE1 NLE 8 16.322 3.337 -2.967
67 HE2 NLE 8 HE2 NLE 8 16.123 3.013 -4.698
68 HE3 NLE 8 HE3 NLE 8 14.741 3.574 -3.728
69 H ARG 9 H ARG 9 12.886 0.566 -1.454
70 HA ARG 9 HA ARG 9 12.022 -2.285 -1.785
71 HB2 ARG 9 HB2 ARG 9 13.578 -1.215 0.544
72 HB3 ARG 9 HB3 ARG 9 13.296 -2.705 0.250
73 HG2 ARG 9 HG2 ARG 9 14.643 -2.294 -2.029
74 HG3 ARG 9 HG3 ARG 9 15.050 -0.930 -1.498
75 HD2 ARG 9 HD2 ARG 9 15.909 -3.470 -0.107
76 HD3 ARG 9 HD3 ARG 9 16.813 -2.500 -0.891
77 HE ARG 9 HE ARG 9 16.249 -0.675 0.826
78 HH11 ARG 9 HH11 ARG 9 16.283 -4.057 1.780
79 HH12 ARG 9 HH12 ARG 9 16.401 -3.647 3.470
80 HH21 ARG 9 HH21 ARG 9 16.239 -0.239 2.923
81 HH22 ARG 9 HH22 ARG 9 16.431 -1.522 4.105
82 H ARG 10 H ARG 10 11.868 0.176 0.781
83 HA ARG 10 HA ARG 10 9.917 -1.298 2.286
84 HB2 ARG 10 HB2 ARG 10 10.308 0.430 3.914
85 HB3 ARG 10 HB3 ARG 10 11.670 0.012 3.301
86 HG2 ARG 10 HG2 ARG 10 11.032 2.222 1.688
87 HG3 ARG 10 HG3 ARG 10 10.228 2.628 2.897
88 HD2 ARG 10 HD2 ARG 10 13.210 2.123 3.096
89 HD3 ARG 10 HD3 ARG 10 12.547 3.512 3.042
90 HE ARG 10 HE ARG 10 11.255 2.756 5.205
91 HH11 ARG 10 HH11 ARG 10 14.613 1.849 4.484
92 HH12 ARG 10 HH12 ARG 10 14.999 1.780 6.183
93 HH21 ARG 10 HH21 ARG 10 11.868 2.587 7.316
94 HH22 ARG 10 HH22 ARG 10 13.503 2.163 7.723
95 H GLU 11 H GLU 11 9.519 1.703 0.384
96 HA GLU 11 HA GLU 11 6.602 1.732 0.915
97 HB2 GLU 11 HB2 GLU 11 8.236 3.609 -0.779
98 HB3 GLU 11 HB3 GLU 11 6.723 3.720 -0.686
99 HG2 GLU 11 HG2 GLU 11 6.721 4.186 1.725
100 HG3 GLU 11 HG3 GLU 11 8.070 3.541 2.011
101 H GLY 12 H GLY 12 8.855 0.728 -1.625
102 HA2 GLY 12 HA2 GLY 12 7.057 -0.010 -3.683
103 HA3 GLY 12 HA3 GLY 12 8.553 -0.859 -3.268
104 H ALA 13 H ALA 13 7.984 -1.907 -0.735
105 HA ALA 13 HA ALA 13 6.227 -4.103 -1.245
106 HB1 ALA 13 HB1 ALA 13 8.155 -4.214 0.274
107 HB2 ALA 13 HB2 ALA 13 7.372 -3.062 1.380
108 HB3 ALA 13 HB3 ALA 13 6.657 -4.666 1.109
109 H NLE 14 H NLE 14 5.722 -1.156 0.758
110 HA NLE 14 HA NLE 14 3.116 -1.769 1.683
111 HB2 NLE 14 HB2 NLE 14 4.434 0.906 1.108
112 HB3 NLE 14 HB3 NLE 14 2.872 0.736 1.914
113 HG2 NLE 14 HG2 NLE 14 3.842 -0.487 3.762
114 HG3 NLE 14 HG3 NLE 14 5.410 -0.587 2.959
115 HD2 NLE 14 HD2 NLE 14 5.574 1.922 3.024
116 HD3 NLE 14 HD3 NLE 14 4.050 1.964 3.931
117 HE1 NLE 14 HE1 NLE 14 5.104 0.604 5.734
118 HE2 NLE 14 HE2 NLE 14 6.629 0.586 4.816
119 HE3 NLE 14 HE3 NLE 14 5.990 2.118 5.447
120 H ASP 15 H ASP 15 4.124 -0.294 -1.404
121 HA ASP 15 HA ASP 15 1.557 0.386 -2.398
122 HB2 ASP 15 HB2 ASP 15 3.945 0.948 -3.334
123 HB3 ASP 15 HB3 ASP 15 4.027 -0.427 -3.965
124 H PHE 16 H PHE 16 2.870 -2.821 -2.010
125 HA PHE 16 HA PHE 16 0.540 -3.861 -3.565
126 HB2 PHE 16 HB2 PHE 16 1.782 -5.740 -4.247
127 HB3 PHE 16 HB3 PHE 16 2.487 -4.447 -4.763
128 HD1 PHE 16 HD1 PHE 16 2.729 -6.799 -1.801
129 HD2 PHE 16 HD2 PHE 16 4.814 -4.315 -4.649
130 HE1 PHE 16 HE1 PHE 16 4.899 -7.688 -0.995
131 HE2 PHE 16 HE2 PHE 16 6.977 -5.240 -3.868
132 HZ PHE 16 HZ PHE 16 7.027 -6.928 -2.038
133 H TRP 17 H TRP 17 1.870 -3.709 -0.381
134 HA TRP 17 HA TRP 17 0.047 -5.745 0.693
135 HB2 TRP 17 HB2 TRP 17 1.885 -4.683 2.081
136 HB3 TRP 17 HB3 TRP 17 1.317 -3.262 1.899
137 HD1 TRP 17 HD1 TRP 17 -0.186 -2.346 3.726
138 HE1 TRP 17 HE1 TRP 17 -1.608 -3.289 5.643
139 HE3 TRP 17 HE3 TRP 17 0.282 -7.349 2.700
140 HZ2 TRP 17 HZ2 TRP 17 -2.430 -5.880 6.618
141 HZ3 TRP 17 HZ3 TRP 17 -0.825 -9.032 4.154
142 HH2 TRP 17 HH2 TRP 17 -2.149 -8.312 6.127
143 H SER 18 H SER 18 -0.158 -2.174 0.271
144 HA SER 18 HA SER 18 -2.869 -1.919 1.095
145 HB2 SER 18 HB2 SER 18 -2.601 0.392 0.217
146 HB3 SER 18 HB3 SER 18 -1.377 -0.019 1.067
147 HG SER 18 HG SER 18 -0.121 -0.294 -0.698
148 H ALA 19 H ALA 19 -1.687 -3.149 -1.914
149 HA ALA 19 HA ALA 19 -3.972 -2.655 -3.566
150 HB1 ALA 19 HB1 ALA 19 -1.746 -3.344 -4.402
151 HB2 ALA 19 HB2 ALA 19 -1.952 -4.938 -3.632
152 HB3 ALA 19 HB3 ALA 19 -3.023 -4.441 -4.956
153 H GLY 20 H GLY 20 -3.696 -4.721 -0.805
154 HA2 GLY 20 HA2 GLY 20 -6.399 -5.856 -1.358
155 HA3 GLY 20 HA3 GLY 20 -5.067 -6.978 -1.082
156 H ABA 21 H ABU 21 -3.925 -5.043 0.986
157 HA ABA 21 HA ABU 21 -3.785 -5.013 3.225
158 HB3 ABA 21 HB3 ABU 21 -6.530 -3.761 2.929
159 HB2 ABA 21 HB2 ABU 21 -5.009 -2.983 2.481
160 HG1 ABA 21 HG1 ABU 21 -5.701 -2.235 4.696
161 HG3 ABA 21 HG3 ABU 21 -4.205 -3.180 4.824
162 HG2 ABA 21 HG2 ABU 21 -5.763 -3.903 5.288
163 H TYR 22 H TYR 22 -3.643 -7.068 3.983
164 HA TYR 22 HA TYR 22 -4.108 -9.027 4.962
165 HB2 TYR 22 HB2 TYR 22 -6.857 -8.212 5.754
166 HB3 TYR 22 HB3 TYR 22 -6.053 -9.425 6.332
167 HD1 TYR 22 HD1 TYR 22 -4.020 -9.160 7.780
168 HD2 TYR 22 HD2 TYR 22 -6.534 -5.849 6.627
169 HE1 TYR 22 HE1 TYR 22 -3.131 -7.818 9.686
170 HE2 TYR 22 HE2 TYR 22 -5.649 -4.510 8.531
171 HH TYR 22 HH TYR 22 -4.251 -4.476 10.348
172 H ALA 23 H ALA 23 -4.784 -8.463 2.101
173 HA ALA 23 HA ALA 23 -5.881 -9.285 0.294
174 HB1 ALA 23 HB1 ALA 23 -5.749 -11.703 0.013
175 HB2 ALA 23 HB2 ALA 23 -4.283 -11.087 0.796
176 HB3 ALA 23 HB3 ALA 23 -5.521 -11.924 1.761
177 H ARG 24 H ARG 24 -7.582 -8.068 1.896
178 HA ARG 24 HA ARG 24 -10.090 -9.682 2.193
179 HB2 ARG 24 HB2 ARG 24 -8.924 -8.984 4.244
180 HB3 ARG 24 HB3 ARG 24 -8.780 -7.468 3.798
181 HG2 ARG 24 HG2 ARG 24 -10.522 -7.545 5.447
182 HG3 ARG 24 HG3 ARG 24 -11.036 -6.921 4.155
183 HD2 ARG 24 HD2 ARG 24 -12.056 -9.351 3.612
184 HD3 ARG 24 HD3 ARG 24 -11.571 -9.801 4.997
185 HE ARG 24 HE ARG 24 -13.313 -8.680 6.038
186 HH11 ARG 24 HH11 ARG 24 -12.887 -7.159 2.894
187 HH12 ARG 24 HH12 ARG 24 -14.318 -6.165 3.089
188 HH21 ARG 24 HH21 ARG 24 -15.108 -7.328 6.210
189 HH22 ARG 24 HH22 ARG 24 -15.492 -6.256 4.888
190 H GLY 25 H GLY 25 -8.974 -7.836 -0.068
191 HA2 GLY 25 HA2 GLY 25 -10.091 -6.748 -1.791
192 HA3 GLY 25 HA3 GLY 25 -11.575 -6.735 -0.835
193 H VAL 26 H VAL 26 -8.653 -5.442 0.580
194 HA VAL 26 HA VAL 26 -8.329 -3.472 1.636
195 HB VAL 26 HB VAL 26 -7.038 -3.234 -0.257
196 HG11 VAL 26 HG11 VAL 26 -9.338 -1.920 -1.737
197 HG12 VAL 26 HG12 VAL 26 -7.643 -1.957 -2.265
198 HG13 VAL 26 HG13 VAL 26 -8.551 -3.462 -2.126
199 HG21 VAL 26 HG21 VAL 26 -8.340 -0.547 0.256
200 HG22 VAL 26 HG22 VAL 26 -7.158 -1.341 1.332
201 HG23 VAL 26 HG23 VAL 26 -6.699 -0.856 -0.307
202 HA PRO 27 HA PRO 27 -12.762 -3.011 2.435
203 HB2 PRO 27 HB2 PRO 27 -11.906 -1.811 5.017
204 HB3 PRO 27 HB3 PRO 27 -13.030 -2.705 4.767
205 HG2 PRO 27 HG2 PRO 27 -10.939 -4.200 5.390
206 HG3 PRO 27 HG3 PRO 27 -11.819 -4.701 4.266
207 HD2 PRO 27 HD2 PRO 27 -9.178 -3.499 3.632
208 HD3 PRO 27 HD3 PRO 27 -9.888 -4.646 2.977
209 H LEU 28 H LEU 28 -10.670 -0.118 2.950
210 HA LEU 28 HA LEU 28 -12.805 1.767 2.778
211 HB2 LEU 28 HB2 LEU 28 -11.095 3.400 2.748
212 HB3 LEU 28 HB3 LEU 28 -10.844 2.368 3.926
213 HG LEU 28 HG LEU 28 -8.797 3.169 2.897
214 HD11 LEU 28 HD11 LEU 28 -7.550 1.146 2.818
215 HD12 LEU 28 HD12 LEU 28 -8.975 0.177 2.437
216 HD13 LEU 28 HD13 LEU 28 -8.820 0.954 4.035
217 HD21 LEU 28 HD21 LEU 28 -9.551 3.303 0.534
218 HD22 LEU 28 HD22 LEU 28 -9.439 1.532 0.430
219 HD23 LEU 28 HD23 LEU 28 -7.989 2.494 0.747
220 H SER 29 H SER 29 -11.564 -0.078 0.264
221 HA SER 29 HA SER 29 -12.935 1.609 -1.772
222 HB2 SER 29 HB2 SER 29 -10.290 0.237 -2.301
223 HB3 SER 29 HB3 SER 29 -11.189 0.834 -3.411
224 HG SER 29 HG SER 29 -9.632 2.335 -2.672
225 H GLU 30 H GLU 30 -13.505 -1.026 -0.126
226 HA GLU 30 HA GLU 30 -13.750 -3.145 -2.047
227 HB2 GLU 30 HB2 GLU 30 -14.217 -2.879 0.703
228 HB3 GLU 30 HB3 GLU 30 -15.673 -2.959 0.228
229 HG2 GLU 30 HG2 GLU 30 -14.863 -5.150 -1.107
230 HG3 GLU 30 HG3 GLU 30 -13.570 -5.080 -0.309
231 HA PRO 31 HA PRO 31 -17.373 -1.711 -4.319
232 HB2 PRO 31 HB2 PRO 31 -18.308 -4.462 -4.771
233 HB3 PRO 31 HB3 PRO 31 -18.121 -3.384 -5.745
234 HG2 PRO 31 HG2 PRO 31 -15.963 -4.937 -5.753
235 HG3 PRO 31 HG3 PRO 31 -15.755 -3.445 -5.919
236 HD2 PRO 31 HD2 PRO 31 -15.149 -4.733 -3.294
237 HD3 PRO 31 HD3 PRO 31 -14.392 -3.676 -4.040
238 HA PRO 32 HA PRO 32 -20.836 -3.318 -1.270
239 HB2 PRO 32 HB2 PRO 32 -19.433 -4.238 1.153
240 HB3 PRO 32 HB3 PRO 32 -20.678 -4.743 0.581
241 HG2 PRO 32 HG2 PRO 32 -18.712 -6.319 -0.229
242 HG3 PRO 32 HG3 PRO 32 -19.745 -5.969 -1.265
243 HD2 PRO 32 HD2 PRO 32 -17.117 -4.499 -1.276
244 HD3 PRO 32 HD3 PRO 32 -17.815 -5.163 -2.397
245 H GLN 33 H GLN 33 -17.904 -1.560 -0.416
246 HA GLN 33 HA GLN 33 -19.429 0.396 1.250
247 HB2 GLN 33 HB2 GLN 33 -16.466 0.114 0.846
248 HB3 GLN 33 HB3 GLN 33 -17.075 1.399 1.506
249 HG2 GLN 33 HG2 GLN 33 -16.792 0.217 3.470
250 HG3 GLN 33 HG3 GLN 33 -18.279 0.009 3.269
251 HE21 GLN 33 HE21 GLN 33 -15.174 -1.649 2.606
252 HE22 GLN 33 HE22 GLN 33 -15.828 -3.285 2.679
253 H ALA 34 H ALA 34 -18.983 -0.111 -1.969
254 HA ALA 34 HA ALA 34 -18.799 1.088 -3.854
255 HB1 ALA 34 HB1 ALA 34 -20.486 2.838 -4.051
256 HB2 ALA 34 HB2 ALA 34 -21.097 1.494 -3.072
257 HB3 ALA 34 HB3 ALA 34 -20.566 2.998 -2.282
258 H LEU 35 H LEU 35 -16.527 1.527 -2.242
259 HA LEU 35 HA LEU 35 -14.689 2.794 -1.937
260 HB2 LEU 35 HB2 LEU 35 -15.427 4.109 -4.518
261 HB3 LEU 35 HB3 LEU 35 -14.026 4.320 -3.808
262 HG LEU 35 HG LEU 35 -13.449 1.915 -3.972
263 HD11 LEU 35 HD11 LEU 35 -14.653 0.566 -5.728
264 HD12 LEU 35 HD12 LEU 35 -15.979 1.751 -5.668
265 HD13 LEU 35 HD13 LEU 35 -15.567 0.759 -4.244
266 HD21 LEU 35 HD21 LEU 35 -12.930 2.029 -6.368
267 HD22 LEU 35 HD22 LEU 35 -12.678 3.596 -5.593
268 HD23 LEU 35 HD23 LEU 35 -14.132 3.324 -6.581
269 HN1 NH2 36 H1 NHE 36 -17.277 3.890 -0.726
270 HN2 NH2 36 H2 NHE 36 -16.835 5.538 -0.323
Start of MODEL 11
1 H1 ARG 1 H1 ARG 1 8.345 11.012 -4.979
2 H2 ARG 1 H2 ARG 1 7.946 9.621 -4.220
3 H3 ARG 1 H3 ARG 1 8.872 9.582 -5.570
4 HA ARG 1 HA ARG 1 9.688 10.793 -3.001
5 HB2 ARG 1 HB2 ARG 1 10.448 8.132 -4.167
6 HB3 ARG 1 HB3 ARG 1 11.503 8.847 -3.287
7 HG2 ARG 1 HG2 ARG 1 8.839 8.051 -2.152
8 HG3 ARG 1 HG3 ARG 1 10.168 7.275 -1.965
9 HD2 ARG 1 HD2 ARG 1 11.088 9.644 -0.962
10 HD3 ARG 1 HD3 ARG 1 9.621 10.052 -0.876
11 HE ARG 1 HE ARG 1 9.554 7.512 0.308
12 HH11 ARG 1 HH11 ARG 1 11.079 10.594 1.045
13 HH12 ARG 1 HH12 ARG 1 11.387 10.134 2.696
14 HH21 ARG 1 HH21 ARG 1 10.158 6.940 2.297
15 HH22 ARG 1 HH22 ARG 1 10.810 8.120 3.426
16 H ASP 2 H ASP 2 11.071 12.423 -3.268
17 HA ASP 2 HA ASP 2 12.504 12.893 -5.733
18 HB2 ASP 2 HB2 ASP 2 11.758 14.678 -4.069
19 HB3 ASP 2 HB3 ASP 2 12.693 14.198 -3.000
20 HA PRO 3 HA PRO 3 16.492 11.509 -3.605
21 HB2 PRO 3 HB2 PRO 3 16.744 10.520 -1.157
22 HB3 PRO 3 HB3 PRO 3 16.478 11.998 -1.351
23 HG2 PRO 3 HG2 PRO 3 14.255 10.197 -0.502
24 HG3 PRO 3 HG3 PRO 3 14.596 11.512 0.032
25 HD2 PRO 3 HD2 PRO 3 12.766 11.710 -1.957
26 HD3 PRO 3 HD3 PRO 3 13.771 12.841 -1.704
27 H LEU 4 H LEU 4 13.853 9.223 -3.011
28 HA LEU 4 HA LEU 4 13.635 6.976 -3.125
29 HB2 LEU 4 HB2 LEU 4 13.951 8.065 -5.680
30 HB3 LEU 4 HB3 LEU 4 14.943 6.951 -5.823
31 HG LEU 4 HG LEU 4 12.085 6.426 -4.868
32 HD11 LEU 4 HD11 LEU 4 12.175 7.276 -7.176
33 HD12 LEU 4 HD12 LEU 4 11.684 5.575 -7.138
34 HD13 LEU 4 HD13 LEU 4 13.345 6.008 -7.607
35 HD21 LEU 4 HD21 LEU 4 14.182 4.434 -5.819
36 HD22 LEU 4 HD22 LEU 4 12.484 4.064 -5.437
37 HD23 LEU 4 HD23 LEU 4 13.580 4.599 -4.157
38 H LEU 5 H LEU 5 15.881 7.495 -1.590
39 HA LEU 5 HA LEU 5 18.233 6.127 -2.420
40 HB2 LEU 5 HB2 LEU 5 17.526 7.798 -0.288
41 HB3 LEU 5 HB3 LEU 5 17.673 6.524 0.509
42 HG LEU 5 HG LEU 5 19.898 7.553 -1.319
43 HD11 LEU 5 HD11 LEU 5 19.434 9.023 0.609
44 HD12 LEU 5 HD12 LEU 5 21.006 8.229 0.766
45 HD13 LEU 5 HD13 LEU 5 19.618 7.642 1.714
46 HD21 LEU 5 HD21 LEU 5 20.228 5.170 -1.041
47 HD22 LEU 5 HD22 LEU 5 19.922 5.280 0.711
48 HD23 LEU 5 HD23 LEU 5 21.378 6.009 -0.007
49 H ASP 6 H ASP 6 15.558 5.054 -0.329
50 HA ASP 6 HA ASP 6 16.320 2.209 -0.797
51 HB2 ASP 6 HB2 ASP 6 17.098 3.234 1.538
52 HB3 ASP 6 HB3 ASP 6 15.643 3.325 1.947
53 H ALA 7 H ALA 7 13.928 4.408 -1.159
54 HA ALA 7 HA ALA 7 11.617 3.321 0.013
55 HB1 ALA 7 HB1 ALA 7 11.780 5.578 -0.930
56 HB2 ALA 7 HB2 ALA 7 11.898 4.904 -2.573
57 HB3 ALA 7 HB3 ALA 7 10.415 4.693 -1.630
58 H NLE 8 H NLE 8 13.219 2.355 -3.007
59 HA NLE 8 HA NLE 8 11.148 0.906 -4.189
60 HB2 NLE 8 HB2 NLE 8 12.693 -0.029 -5.633
61 HB3 NLE 8 HB3 NLE 8 13.334 1.550 -5.252
62 HG2 NLE 8 HG2 NLE 8 14.290 -1.135 -4.140
63 HG3 NLE 8 HG3 NLE 8 15.060 -0.214 -5.411
64 HD2 NLE 8 HD2 NLE 8 14.853 0.659 -2.499
65 HD3 NLE 8 HD3 NLE 8 16.262 -0.037 -3.291
66 HE1 NLE 8 HE1 NLE 8 16.563 2.357 -3.185
67 HE2 NLE 8 HE2 NLE 8 16.310 1.908 -4.880
68 HE3 NLE 8 HE3 NLE 8 14.993 2.652 -3.943
69 H ARG 9 H ARG 9 13.009 -0.061 -1.406
70 HA ARG 9 HA ARG 9 12.013 -2.880 -1.522
71 HB2 ARG 9 HB2 ARG 9 13.633 -1.674 0.702
72 HB3 ARG 9 HB3 ARG 9 13.240 -3.168 0.587
73 HG2 ARG 9 HG2 ARG 9 14.575 -3.104 -1.744
74 HG3 ARG 9 HG3 ARG 9 15.105 -1.741 -1.352
75 HD2 ARG 9 HD2 ARG 9 15.740 -4.196 0.295
76 HD3 ARG 9 HD3 ARG 9 16.721 -3.423 -0.603
77 HE ARG 9 HE ARG 9 16.265 -1.344 0.925
78 HH11 ARG 9 HH11 ARG 9 16.495 -4.641 2.116
79 HH12 ARG 9 HH12 ARG 9 16.804 -4.102 3.745
80 HH21 ARG 9 HH21 ARG 9 16.473 -0.750 2.977
81 HH22 ARG 9 HH22 ARG 9 16.848 -1.934 4.216
82 H ARG 10 H ARG 10 11.971 -0.302 0.924
83 HA ARG 10 HA ARG 10 9.920 -1.564 2.467
84 HB2 ARG 10 HB2 ARG 10 10.314 0.305 3.961
85 HB3 ARG 10 HB3 ARG 10 11.667 -0.285 3.471
86 HG2 ARG 10 HG2 ARG 10 11.219 1.844 1.645
87 HG3 ARG 10 HG3 ARG 10 10.524 2.413 2.854
88 HD2 ARG 10 HD2 ARG 10 13.434 1.566 2.990
89 HD3 ARG 10 HD3 ARG 10 12.947 3.020 2.824
90 HE ARG 10 HE ARG 10 11.622 2.543 5.090
91 HH11 ARG 10 HH11 ARG 10 14.927 1.499 4.330
92 HH12 ARG 10 HH12 ARG 10 15.394 1.619 6.005
93 HH21 ARG 10 HH21 ARG 10 12.331 2.609 7.180
94 HH22 ARG 10 HH22 ARG 10 13.979 2.205 7.559
95 H GLU 11 H GLU 11 9.670 1.429 0.512
96 HA GLU 11 HA GLU 11 6.761 1.585 0.969
97 HB2 GLU 11 HB2 GLU 11 8.500 3.294 -0.800
98 HB3 GLU 11 HB3 GLU 11 6.994 3.499 -0.710
99 HG2 GLU 11 HG2 GLU 11 7.039 4.058 1.685
100 HG3 GLU 11 HG3 GLU 11 8.364 3.366 1.981
101 H GLY 12 H GLY 12 8.957 0.453 -1.589
102 HA2 GLY 12 HA2 GLY 12 7.090 -0.191 -3.614
103 HA3 GLY 12 HA3 GLY 12 8.581 -1.077 -3.270
104 H ALA 13 H ALA 13 8.042 -2.186 -0.738
105 HA ALA 13 HA ALA 13 6.240 -4.342 -1.289
106 HB1 ALA 13 HB1 ALA 13 8.181 -4.559 0.186
107 HB2 ALA 13 HB2 ALA 13 7.468 -3.401 1.335
108 HB3 ALA 13 HB3 ALA 13 6.689 -4.974 1.049
109 H NLE 14 H NLE 14 5.849 -1.470 0.859
110 HA NLE 14 HA NLE 14 3.226 -2.090 1.747
111 HB2 NLE 14 HB2 NLE 14 4.659 0.565 1.442
112 HB3 NLE 14 HB3 NLE 14 3.053 0.405 2.166
113 HG2 NLE 14 HG2 NLE 14 3.937 -1.201 3.833
114 HG3 NLE 14 HG3 NLE 14 5.562 -1.001 3.189
115 HD2 NLE 14 HD2 NLE 14 3.865 1.203 4.443
116 HD3 NLE 14 HD3 NLE 14 5.153 0.308 5.252
117 HE1 NLE 14 HE1 NLE 14 6.805 1.215 3.608
118 HE2 NLE 14 HE2 NLE 14 5.504 2.197 2.885
119 HE3 NLE 14 HE3 NLE 14 6.000 2.475 4.561
120 H ASP 15 H ASP 15 4.253 -0.452 -1.248
121 HA ASP 15 HA ASP 15 1.692 0.369 -2.153
122 HB2 ASP 15 HB2 ASP 15 4.062 0.926 -3.109
123 HB3 ASP 15 HB3 ASP 15 4.123 -0.424 -3.790
124 H PHE 16 H PHE 16 2.954 -2.898 -2.016
125 HA PHE 16 HA PHE 16 0.573 -3.784 -3.596
126 HB2 PHE 16 HB2 PHE 16 1.738 -5.648 -4.369
127 HB3 PHE 16 HB3 PHE 16 2.564 -4.386 -4.759
128 HD1 PHE 16 HD1 PHE 16 2.465 -6.954 -1.974
129 HD2 PHE 16 HD2 PHE 16 4.889 -4.457 -4.524
130 HE1 PHE 16 HE1 PHE 16 4.509 -8.067 -1.125
131 HE2 PHE 16 HE2 PHE 16 6.928 -5.610 -3.708
132 HZ PHE 16 HZ PHE 16 6.744 -7.411 -1.999
133 H TRP 17 H TRP 17 1.926 -3.842 -0.405
134 HA TRP 17 HA TRP 17 0.043 -5.843 0.605
135 HB2 TRP 17 HB2 TRP 17 1.953 -4.917 1.989
136 HB3 TRP 17 HB3 TRP 17 1.431 -3.467 1.891
137 HD1 TRP 17 HD1 TRP 17 0.102 -2.596 3.852
138 HE1 TRP 17 HE1 TRP 17 -1.311 -3.573 5.761
139 HE3 TRP 17 HE3 TRP 17 0.189 -7.537 2.483
140 HZ2 TRP 17 HZ2 TRP 17 -2.272 -6.159 6.592
141 HZ3 TRP 17 HZ3 TRP 17 -0.984 -9.239 3.863
142 HH2 TRP 17 HH2 TRP 17 -2.190 -8.569 5.928
143 H SER 18 H SER 18 -0.057 -2.249 0.380
144 HA SER 18 HA SER 18 -2.741 -1.963 1.281
145 HB2 SER 18 HB2 SER 18 -2.424 0.387 0.536
146 HB3 SER 18 HB3 SER 18 -1.199 -0.107 1.332
147 HG SER 18 HG SER 18 0.017 -0.312 -0.471
148 H ALA 19 H ALA 19 -1.636 -2.982 -1.848
149 HA ALA 19 HA ALA 19 -3.936 -2.364 -3.418
150 HB1 ALA 19 HB1 ALA 19 -1.739 -3.070 -4.322
151 HB2 ALA 19 HB2 ALA 19 -1.991 -4.699 -3.646
152 HB3 ALA 19 HB3 ALA 19 -3.059 -4.089 -4.922
153 H GLY 20 H GLY 20 -3.606 -4.653 -0.833
154 HA2 GLY 20 HA2 GLY 20 -6.377 -5.681 -1.380
155 HA3 GLY 20 HA3 GLY 20 -5.070 -6.775 -0.923
156 H ABA 21 H ABU 21 -3.961 -4.726 0.981
157 HA ABA 21 HA ABU 21 -3.916 -4.420 3.201
158 HB3 ABA 21 HB3 ABU 21 -6.628 -3.174 2.674
159 HB2 ABA 21 HB2 ABU 21 -5.086 -2.465 2.189
160 HG1 ABA 21 HG1 ABU 21 -5.845 -1.473 4.288
161 HG3 ABA 21 HG3 ABU 21 -4.350 -2.395 4.556
162 HG2 ABA 21 HG2 ABU 21 -5.919 -3.069 5.060
163 H TYR 22 H TYR 22 -3.855 -6.495 3.997
164 HA TYR 22 HA TYR 22 -4.397 -8.335 5.155
165 HB2 TYR 22 HB2 TYR 22 -7.149 -7.427 5.795
166 HB3 TYR 22 HB3 TYR 22 -6.366 -8.596 6.499
167 HD1 TYR 22 HD1 TYR 22 -4.174 -8.120 7.795
168 HD2 TYR 22 HD2 TYR 22 -7.053 -5.107 6.680
169 HE1 TYR 22 HE1 TYR 22 -3.361 -6.653 9.643
170 HE2 TYR 22 HE2 TYR 22 -6.249 -3.649 8.531
171 HH TYR 22 HH TYR 22 -4.808 -3.439 10.300
172 H ALA 23 H ALA 23 -5.021 -7.923 2.231
173 HA ALA 23 HA ALA 23 -6.123 -8.828 0.464
174 HB1 ALA 23 HB1 ALA 23 -6.048 -11.262 0.324
175 HB2 ALA 23 HB2 ALA 23 -4.569 -10.634 1.072
176 HB3 ALA 23 HB3 ALA 23 -5.825 -11.386 2.082
177 H ARG 24 H ARG 24 -7.801 -7.475 1.951
178 HA ARG 24 HA ARG 24 -10.326 -9.021 2.417
179 HB2 ARG 24 HB2 ARG 24 -9.088 -8.170 4.376
180 HB3 ARG 24 HB3 ARG 24 -8.965 -6.694 3.805
181 HG2 ARG 24 HG2 ARG 24 -10.660 -6.642 5.506
182 HG3 ARG 24 HG3 ARG 24 -11.217 -6.129 4.185
183 HD2 ARG 24 HD2 ARG 24 -12.229 -8.602 3.866
184 HD3 ARG 24 HD3 ARG 24 -11.703 -8.935 5.269
185 HE ARG 24 HE ARG 24 -13.425 -7.743 6.265
186 HH11 ARG 24 HH11 ARG 24 -13.101 -6.491 2.992
187 HH12 ARG 24 HH12 ARG 24 -14.543 -5.508 3.133
188 HH21 ARG 24 HH21 ARG 24 -15.242 -6.412 6.363
189 HH22 ARG 24 HH22 ARG 24 -15.675 -5.462 4.967
190 H GLY 25 H GLY 25 -9.222 -7.299 0.015
191 HA2 GLY 25 HA2 GLY 25 -10.315 -6.207 -1.719
192 HA3 GLY 25 HA3 GLY 25 -11.810 -6.196 -0.779
193 H VAL 26 H VAL 26 -8.896 -4.899 0.644
194 HA VAL 26 HA VAL 26 -8.580 -2.922 1.700
195 HB VAL 26 HB VAL 26 -7.228 -2.796 -0.161
196 HG11 VAL 26 HG11 VAL 26 -9.426 -1.426 -1.738
197 HG12 VAL 26 HG12 VAL 26 -7.724 -1.554 -2.219
198 HG13 VAL 26 HG13 VAL 26 -8.704 -3.014 -2.062
199 HG21 VAL 26 HG21 VAL 26 -8.409 -0.035 0.219
200 HG22 VAL 26 HG22 VAL 26 -7.331 -0.848 1.380
201 HG23 VAL 26 HG23 VAL 26 -6.757 -0.457 -0.247
202 HA PRO 27 HA PRO 27 -12.998 -2.355 2.391
203 HB2 PRO 27 HB2 PRO 27 -12.183 -1.002 4.911
204 HB3 PRO 27 HB3 PRO 27 -13.310 -1.903 4.695
205 HG2 PRO 27 HG2 PRO 27 -11.239 -3.368 5.442
206 HG3 PRO 27 HG3 PRO 27 -12.103 -3.931 4.338
207 HD2 PRO 27 HD2 PRO 27 -9.443 -2.796 3.670
208 HD3 PRO 27 HD3 PRO 27 -10.163 -3.965 3.067
209 H LEU 28 H LEU 28 -10.931 0.572 2.784
210 HA LEU 28 HA LEU 28 -13.062 2.438 2.484
211 HB2 LEU 28 HB2 LEU 28 -11.336 4.068 2.364
212 HB3 LEU 28 HB3 LEU 28 -11.124 3.117 3.612
213 HG LEU 28 HG LEU 28 -9.050 3.834 2.555
214 HD11 LEU 28 HD11 LEU 28 -7.812 1.817 2.699
215 HD12 LEU 28 HD12 LEU 28 -9.218 0.813 2.341
216 HD13 LEU 28 HD13 LEU 28 -9.126 1.714 3.880
217 HD21 LEU 28 HD21 LEU 28 -9.756 3.761 0.176
218 HD22 LEU 28 HD22 LEU 28 -9.666 1.987 0.233
219 HD23 LEU 28 HD23 LEU 28 -8.208 2.957 0.489
220 H SER 29 H SER 29 -11.796 0.469 0.065
221 HA SER 29 HA SER 29 -13.120 2.105 -2.055
222 HB2 SER 29 HB2 SER 29 -10.600 0.506 -2.531
223 HB3 SER 29 HB3 SER 29 -11.459 1.136 -3.653
224 HG SER 29 HG SER 29 -9.765 2.520 -2.977
225 H GLU 30 H GLU 30 -13.744 -0.479 -0.253
226 HA GLU 30 HA GLU 30 -14.205 -2.593 -2.163
227 HB2 GLU 30 HB2 GLU 30 -14.308 -2.387 0.616
228 HB3 GLU 30 HB3 GLU 30 -15.817 -2.368 0.340
229 HG2 GLU 30 HG2 GLU 30 -15.317 -4.570 -1.131
230 HG3 GLU 30 HG3 GLU 30 -13.932 -4.592 -0.497
231 HA PRO 31 HA PRO 31 -18.023 -1.051 -4.003
232 HB2 PRO 31 HB2 PRO 31 -19.055 -3.788 -4.358
233 HB3 PRO 31 HB3 PRO 31 -18.976 -2.700 -5.338
234 HG2 PRO 31 HG2 PRO 31 -16.856 -4.273 -5.623
235 HG3 PRO 31 HG3 PRO 31 -16.643 -2.783 -5.790
236 HD2 PRO 31 HD2 PRO 31 -15.752 -4.117 -3.272
237 HD3 PRO 31 HD3 PRO 31 -15.077 -3.057 -4.086
238 HA PRO 32 HA PRO 32 -21.190 -2.623 -0.629
239 HB2 PRO 32 HB2 PRO 32 -19.572 -3.563 1.647
240 HB3 PRO 32 HB3 PRO 32 -20.867 -4.056 1.193
241 HG2 PRO 32 HG2 PRO 32 -18.997 -5.644 0.200
242 HG3 PRO 32 HG3 PRO 32 -20.121 -5.288 -0.732
243 HD2 PRO 32 HD2 PRO 32 -17.500 -3.831 -0.990
244 HD3 PRO 32 HD3 PRO 32 -18.302 -4.490 -2.042
245 H GLN 33 H GLN 33 -18.184 -0.878 -0.090
246 HA GLN 33 HA GLN 33 -19.552 1.104 1.687
247 HB2 GLN 33 HB2 GLN 33 -16.622 0.764 1.134
248 HB3 GLN 33 HB3 GLN 33 -17.177 2.040 1.853
249 HG2 GLN 33 HG2 GLN 33 -16.809 0.805 3.774
250 HG3 GLN 33 HG3 GLN 33 -18.309 0.632 3.647
251 HE21 GLN 33 HE21 GLN 33 -15.332 -1.066 2.549
252 HE22 GLN 33 HE22 GLN 33 -15.988 -2.694 2.723
253 H ALA 34 H ALA 34 -19.331 0.582 -1.536
254 HA ALA 34 HA ALA 34 -19.194 1.772 -3.437
255 HB1 ALA 34 HB1 ALA 34 -20.827 3.583 -3.540
256 HB2 ALA 34 HB2 ALA 34 -21.428 2.256 -2.532
257 HB3 ALA 34 HB3 ALA 34 -20.805 3.737 -1.769
258 H LEU 35 H LEU 35 -16.809 2.092 -2.048
259 HA LEU 35 HA LEU 35 -14.887 3.255 -1.911
260 HB2 LEU 35 HB2 LEU 35 -15.835 4.725 -4.332
261 HB3 LEU 35 HB3 LEU 35 -14.353 4.839 -3.775
262 HG LEU 35 HG LEU 35 -13.899 2.440 -4.138
263 HD11 LEU 35 HD11 LEU 35 -15.375 1.212 -5.771
264 HD12 LEU 35 HD12 LEU 35 -16.637 2.430 -5.480
265 HD13 LEU 35 HD13 LEU 35 -16.072 1.360 -4.169
266 HD21 LEU 35 HD21 LEU 35 -13.701 2.655 -6.576
267 HD22 LEU 35 HD22 LEU 35 -13.296 4.178 -5.773
268 HD23 LEU 35 HD23 LEU 35 -14.877 3.990 -6.567
269 HN1 NH2 36 H1 NHE 36 -17.286 4.423 -0.393
270 HN2 NH2 36 H2 NHE 36 -16.708 6.022 0.035
Start of MODEL 12
1 H1 ARG 1 H1 ARG 1 8.336 11.166 -4.586
2 H2 ARG 1 H2 ARG 1 7.993 9.736 -3.868
3 H3 ARG 1 H3 ARG 1 8.913 9.780 -5.224
4 HA ARG 1 HA ARG 1 9.691 10.942 -2.626
5 HB2 ARG 1 HB2 ARG 1 10.603 8.363 -3.883
6 HB3 ARG 1 HB3 ARG 1 11.579 9.085 -2.929
7 HG2 ARG 1 HG2 ARG 1 8.923 8.084 -1.945
8 HG3 ARG 1 HG3 ARG 1 10.288 7.386 -1.727
9 HD2 ARG 1 HD2 ARG 1 11.042 9.705 -0.559
10 HD3 ARG 1 HD3 ARG 1 9.569 10.112 -0.588
11 HE ARG 1 HE ARG 1 9.425 7.541 0.531
12 HH11 ARG 1 HH11 ARG 1 10.804 10.641 1.453
13 HH12 ARG 1 HH12 ARG 1 10.936 10.170 3.125
14 HH21 ARG 1 HH21 ARG 1 9.828 6.959 2.570
15 HH22 ARG 1 HH22 ARG 1 10.327 8.144 3.772
16 H ASP 2 H ASP 2 11.777 11.821 -2.496
17 HA ASP 2 HA ASP 2 13.015 12.625 -5.097
18 HB2 ASP 2 HB2 ASP 2 12.031 14.463 -3.627
19 HB3 ASP 2 HB3 ASP 2 12.897 14.097 -2.451
20 HA PRO 3 HA PRO 3 16.835 11.439 -2.555
21 HB2 PRO 3 HB2 PRO 3 16.845 10.465 -0.080
22 HB3 PRO 3 HB3 PRO 3 16.665 11.952 -0.321
23 HG2 PRO 3 HG2 PRO 3 14.306 10.269 0.379
24 HG3 PRO 3 HG3 PRO 3 14.655 11.586 0.902
25 HD2 PRO 3 HD2 PRO 3 13.001 11.792 -1.228
26 HD3 PRO 3 HD3 PRO 3 14.030 12.891 -0.945
27 H LEU 4 H LEU 4 14.131 9.192 -2.104
28 HA LEU 4 HA LEU 4 13.869 6.957 -2.319
29 HB2 LEU 4 HB2 LEU 4 14.241 8.194 -4.797
30 HB3 LEU 4 HB3 LEU 4 15.200 7.061 -5.003
31 HG LEU 4 HG LEU 4 12.323 6.557 -4.094
32 HD11 LEU 4 HD11 LEU 4 12.438 7.567 -6.336
33 HD12 LEU 4 HD12 LEU 4 11.900 5.883 -6.418
34 HD13 LEU 4 HD13 LEU 4 13.571 6.301 -6.857
35 HD21 LEU 4 HD21 LEU 4 14.365 4.581 -5.188
36 HD22 LEU 4 HD22 LEU 4 12.657 4.231 -4.837
37 HD23 LEU 4 HD23 LEU 4 13.762 4.640 -3.520
38 H LEU 5 H LEU 5 16.136 7.295 -0.737
39 HA LEU 5 HA LEU 5 18.367 5.697 -1.610
40 HB2 LEU 5 HB2 LEU 5 17.649 6.486 1.206
41 HB3 LEU 5 HB3 LEU 5 18.987 5.805 0.852
42 HG LEU 5 HG LEU 5 18.226 8.458 -0.439
43 HD11 LEU 5 HD11 LEU 5 18.452 8.670 2.004
44 HD12 LEU 5 HD12 LEU 5 19.791 9.466 1.164
45 HD13 LEU 5 HD13 LEU 5 20.045 7.882 1.933
46 HD21 LEU 5 HD21 LEU 5 19.911 7.255 -1.760
47 HD22 LEU 5 HD22 LEU 5 20.881 6.964 -0.297
48 HD23 LEU 5 HD23 LEU 5 20.659 8.613 -0.921
49 H ASP 6 H ASP 6 15.466 4.843 0.226
50 HA ASP 6 HA ASP 6 16.087 1.964 -0.175
51 HB2 ASP 6 HB2 ASP 6 16.802 2.956 2.215
52 HB3 ASP 6 HB3 ASP 6 15.330 3.071 2.555
53 H ALA 7 H ALA 7 13.832 4.290 -0.638
54 HA ALA 7 HA ALA 7 11.419 3.339 0.434
55 HB1 ALA 7 HB1 ALA 7 11.736 5.564 -0.551
56 HB2 ALA 7 HB2 ALA 7 11.871 4.838 -2.172
57 HB3 ALA 7 HB3 ALA 7 10.352 4.725 -1.272
58 H NLE 8 H NLE 8 13.091 2.268 -2.512
59 HA NLE 8 HA NLE 8 11.030 0.823 -3.719
60 HB2 NLE 8 HB2 NLE 8 12.603 -0.162 -5.099
61 HB3 NLE 8 HB3 NLE 8 13.252 1.418 -4.731
62 HG2 NLE 8 HG2 NLE 8 14.143 -1.256 -3.541
63 HG3 NLE 8 HG3 NLE 8 14.964 -0.363 -4.803
64 HD2 NLE 8 HD2 NLE 8 14.672 0.554 -1.911
65 HD3 NLE 8 HD3 NLE 8 16.100 -0.166 -2.645
66 HE1 NLE 8 HE1 NLE 8 16.412 2.234 -2.555
67 HE2 NLE 8 HE2 NLE 8 16.235 1.753 -4.250
68 HE3 NLE 8 HE3 NLE 8 14.880 2.522 -3.392
69 H ARG 9 H ARG 9 12.750 -0.089 -0.835
70 HA ARG 9 HA ARG 9 11.659 -2.884 -0.922
71 HB2 ARG 9 HB2 ARG 9 13.332 -1.719 1.282
72 HB3 ARG 9 HB3 ARG 9 12.850 -3.190 1.204
73 HG2 ARG 9 HG2 ARG 9 14.198 -3.255 -1.127
74 HG3 ARG 9 HG3 ARG 9 14.817 -1.928 -0.745
75 HD2 ARG 9 HD2 ARG 9 15.271 -4.406 0.930
76 HD3 ARG 9 HD3 ARG 9 16.310 -3.700 0.050
77 HE ARG 9 HE ARG 9 15.900 -1.583 1.571
78 HH11 ARG 9 HH11 ARG 9 16.103 -4.890 2.729
79 HH12 ARG 9 HH12 ARG 9 16.410 -4.371 4.364
80 HH21 ARG 9 HH21 ARG 9 16.085 -1.009 3.631
81 HH22 ARG 9 HH22 ARG 9 16.463 -2.205 4.859
82 H ARG 10 H ARG 10 11.713 -0.223 1.449
83 HA ARG 10 HA ARG 10 9.621 -1.363 3.028
84 HB2 ARG 10 HB2 ARG 10 10.043 0.556 4.444
85 HB3 ARG 10 HB3 ARG 10 11.389 -0.056 3.977
86 HG2 ARG 10 HG2 ARG 10 10.928 1.987 2.052
87 HG3 ARG 10 HG3 ARG 10 10.250 2.614 3.241
88 HD2 ARG 10 HD2 ARG 10 13.153 1.741 3.401
89 HD3 ARG 10 HD3 ARG 10 12.687 3.192 3.132
90 HE ARG 10 HE ARG 10 11.402 2.977 5.418
91 HH11 ARG 10 HH11 ARG 10 14.575 1.499 4.796
92 HH12 ARG 10 HH12 ARG 10 15.059 1.758 6.450
93 HH21 ARG 10 HH21 ARG 10 12.127 3.193 7.487
94 HH22 ARG 10 HH22 ARG 10 13.721 2.651 7.918
95 H GLU 11 H GLU 11 9.433 1.428 0.797
96 HA GLU 11 HA GLU 11 6.508 1.656 1.242
97 HB2 GLU 11 HB2 GLU 11 8.286 3.301 -0.548
98 HB3 GLU 11 HB3 GLU 11 6.778 3.498 -0.508
99 HG2 GLU 11 HG2 GLU 11 6.746 4.199 1.833
100 HG3 GLU 11 HG3 GLU 11 8.020 3.471 2.238
101 H GLY 12 H GLY 12 8.771 0.389 -1.185
102 HA2 GLY 12 HA2 GLY 12 6.963 -0.372 -3.227
103 HA3 GLY 12 HA3 GLY 12 8.428 -1.252 -2.768
104 H ALA 13 H ALA 13 7.786 -2.155 -0.179
105 HA ALA 13 HA ALA 13 5.981 -4.324 -0.618
106 HB1 ALA 13 HB1 ALA 13 7.858 -4.426 0.952
107 HB2 ALA 13 HB2 ALA 13 7.105 -3.175 1.969
108 HB3 ALA 13 HB3 ALA 13 6.328 -4.763 1.782
109 H NLE 14 H NLE 14 5.507 -1.262 1.231
110 HA NLE 14 HA NLE 14 2.835 -1.794 2.042
111 HB2 NLE 14 HB2 NLE 14 4.286 0.823 1.547
112 HB3 NLE 14 HB3 NLE 14 2.642 0.726 2.193
113 HG2 NLE 14 HG2 NLE 14 3.441 -0.700 4.061
114 HG3 NLE 14 HG3 NLE 14 5.099 -0.533 3.492
115 HD2 NLE 14 HD2 NLE 14 3.298 1.748 4.423
116 HD3 NLE 14 HD3 NLE 14 4.555 0.969 5.385
117 HE1 NLE 14 HE1 NLE 14 6.278 1.745 3.749
118 HE2 NLE 14 HE2 NLE 14 5.002 2.617 2.859
119 HE3 NLE 14 HE3 NLE 14 5.398 3.076 4.522
120 H ASP 15 H ASP 15 4.047 -0.456 -1.034
121 HA ASP 15 HA ASP 15 1.536 0.241 -2.170
122 HB2 ASP 15 HB2 ASP 15 3.962 0.732 -3.031
123 HB3 ASP 15 HB3 ASP 15 4.061 -0.674 -3.585
124 H PHE 16 H PHE 16 2.816 -2.974 -1.626
125 HA PHE 16 HA PHE 16 0.537 -4.049 -3.234
126 HB2 PHE 16 HB2 PHE 16 1.765 -5.993 -3.720
127 HB3 PHE 16 HB3 PHE 16 2.527 -4.746 -4.273
128 HD1 PHE 16 HD1 PHE 16 2.560 -6.865 -1.121
129 HD2 PHE 16 HD2 PHE 16 4.843 -4.733 -4.099
130 HE1 PHE 16 HE1 PHE 16 4.661 -7.770 -0.166
131 HE2 PHE 16 HE2 PHE 16 6.937 -5.674 -3.165
132 HZ PHE 16 HZ PHE 16 6.853 -7.195 -1.196
133 H TRP 17 H TRP 17 1.680 -3.748 0.011
134 HA TRP 17 HA TRP 17 -0.261 -5.663 1.090
135 HB2 TRP 17 HB2 TRP 17 1.548 -4.559 2.503
136 HB3 TRP 17 HB3 TRP 17 0.994 -3.147 2.242
137 HD1 TRP 17 HD1 TRP 17 -0.603 -2.160 3.954
138 HE1 TRP 17 HE1 TRP 17 -2.118 -3.033 5.834
139 HE3 TRP 17 HE3 TRP 17 -0.043 -7.196 3.173
140 HZ2 TRP 17 HZ2 TRP 17 -2.998 -5.587 6.853
141 HZ3 TRP 17 HZ3 TRP 17 -1.230 -8.827 4.625
142 HH2 TRP 17 HH2 TRP 17 -2.687 -8.038 6.472
143 H SER 18 H SER 18 -0.342 -2.102 0.529
144 HA SER 18 HA SER 18 -3.096 -1.771 1.172
145 HB2 SER 18 HB2 SER 18 -2.720 0.518 0.293
146 HB3 SER 18 HB3 SER 18 -1.553 0.093 1.206
147 HG SER 18 HG SER 18 -0.215 -0.247 -0.494
148 H ALA 19 H ALA 19 -1.721 -3.025 -1.757
149 HA ALA 19 HA ALA 19 -3.863 -2.548 -3.573
150 HB1 ALA 19 HB1 ALA 19 -1.609 -3.333 -4.218
151 HB2 ALA 19 HB2 ALA 19 -1.919 -4.891 -3.410
152 HB3 ALA 19 HB3 ALA 19 -2.873 -4.414 -4.828
153 H GLY 20 H GLY 20 -3.800 -4.612 -0.779
154 HA2 GLY 20 HA2 GLY 20 -6.528 -5.633 -1.468
155 HA3 GLY 20 HA3 GLY 20 -5.267 -6.776 -1.006
156 H ABA 21 H ABU 21 -4.260 -4.641 0.987
157 HA ABA 21 HA ABU 21 -4.293 -4.440 3.221
158 HB3 ABA 21 HB3 ABU 21 -7.018 -3.239 2.661
159 HB2 ABA 21 HB2 ABU 21 -5.487 -2.488 2.206
160 HG1 ABA 21 HG1 ABU 21 -6.295 -1.561 4.320
161 HG3 ABA 21 HG3 ABU 21 -4.777 -2.445 4.578
162 HG2 ABA 21 HG2 ABU 21 -6.330 -3.174 5.056
163 H TYR 22 H TYR 22 -4.218 -6.561 3.879
164 HA TYR 22 HA TYR 22 -4.723 -8.393 5.076
165 HB2 TYR 22 HB2 TYR 22 -7.580 -7.663 5.461
166 HB3 TYR 22 HB3 TYR 22 -6.814 -8.828 6.202
167 HD1 TYR 22 HD1 TYR 22 -4.778 -8.315 7.708
168 HD2 TYR 22 HD2 TYR 22 -7.709 -5.401 6.476
169 HE1 TYR 22 HE1 TYR 22 -4.215 -6.908 9.689
170 HE2 TYR 22 HE2 TYR 22 -7.161 -4.006 8.462
171 HH TYR 22 HH TYR 22 -5.898 -3.814 10.364
172 H ALA 23 H ALA 23 -5.108 -8.021 2.099
173 HA ALA 23 HA ALA 23 -5.978 -9.008 0.247
174 HB1 ALA 23 HB1 ALA 23 -5.763 -11.434 0.133
175 HB2 ALA 23 HB2 ALA 23 -4.392 -10.724 1.006
176 HB3 ALA 23 HB3 ALA 23 -5.692 -11.540 1.905
177 H ARG 24 H ARG 24 -7.836 -7.730 1.516
178 HA ARG 24 HA ARG 24 -10.339 -9.359 1.788
179 HB2 ARG 24 HB2 ARG 24 -9.302 -8.556 3.858
180 HB3 ARG 24 HB3 ARG 24 -9.085 -7.069 3.327
181 HG2 ARG 24 HG2 ARG 24 -10.904 -6.988 4.880
182 HG3 ARG 24 HG3 ARG 24 -11.354 -6.457 3.524
183 HD2 ARG 24 HD2 ARG 24 -12.391 -8.905 3.116
184 HD3 ARG 24 HD3 ARG 24 -11.971 -9.259 4.549
185 HE ARG 24 HE ARG 24 -13.736 -8.044 5.433
186 HH11 ARG 24 HH11 ARG 24 -13.164 -6.769 2.205
187 HH12 ARG 24 HH12 ARG 24 -14.602 -5.770 2.251
188 HH21 ARG 24 HH21 ARG 24 -15.535 -6.687 5.418
189 HH22 ARG 24 HH22 ARG 24 -15.853 -5.715 4.004
190 H GLY 25 H GLY 25 -9.113 -7.630 -0.514
191 HA2 GLY 25 HA2 GLY 25 -10.089 -6.544 -2.315
192 HA3 GLY 25 HA3 GLY 25 -11.643 -6.548 -1.479
193 H VAL 26 H VAL 26 -8.884 -5.192 0.169
194 HA VAL 26 HA VAL 26 -8.636 -3.208 1.190
195 HB VAL 26 HB VAL 26 -7.219 -2.974 -0.600
196 HG11 VAL 26 HG11 VAL 26 -9.446 -1.776 -2.270
197 HG12 VAL 26 HG12 VAL 26 -7.717 -1.726 -2.673
198 HG13 VAL 26 HG13 VAL 26 -8.553 -3.277 -2.572
199 HG21 VAL 26 HG21 VAL 26 -8.597 -0.298 -0.253
200 HG22 VAL 26 HG22 VAL 26 -7.493 -1.046 0.931
201 HG23 VAL 26 HG23 VAL 26 -6.909 -0.598 -0.677
202 HA PRO 27 HA PRO 27 -13.097 -2.678 1.780
203 HB2 PRO 27 HB2 PRO 27 -12.316 -1.392 4.344
204 HB3 PRO 27 HB3 PRO 27 -13.438 -2.289 4.088
205 HG2 PRO 27 HG2 PRO 27 -11.380 -3.765 4.857
206 HG3 PRO 27 HG3 PRO 27 -12.223 -4.309 3.726
207 HD2 PRO 27 HD2 PRO 27 -9.551 -3.154 3.134
208 HD3 PRO 27 HD3 PRO 27 -10.241 -4.323 2.506
209 H LEU 28 H LEU 28 -10.978 0.190 2.349
210 HA LEU 28 HA LEU 28 -13.084 2.084 1.977
211 HB2 LEU 28 HB2 LEU 28 -11.368 3.711 2.118
212 HB3 LEU 28 HB3 LEU 28 -11.257 2.680 3.319
213 HG LEU 28 HG LEU 28 -9.102 3.455 2.523
214 HD11 LEU 28 HD11 LEU 28 -7.873 1.428 2.581
215 HD12 LEU 28 HD12 LEU 28 -9.239 0.470 2.007
216 HD13 LEU 28 HD13 LEU 28 -9.284 1.218 3.627
217 HD21 LEU 28 HD21 LEU 28 -9.592 3.616 0.097
218 HD22 LEU 28 HD22 LEU 28 -9.511 1.846 -0.010
219 HD23 LEU 28 HD23 LEU 28 -8.078 2.771 0.463
220 H SER 29 H SER 29 -11.663 0.221 -0.415
221 HA SER 29 HA SER 29 -12.799 1.976 -2.556
222 HB2 SER 29 HB2 SER 29 -10.305 0.308 -2.974
223 HB3 SER 29 HB3 SER 29 -11.040 1.119 -4.069
224 HG SER 29 HG SER 29 -9.297 2.270 -3.129
225 H GLU 30 H GLU 30 -13.140 -0.951 -0.977
226 HA GLU 30 HA GLU 30 -13.645 -2.863 -2.978
227 HB2 GLU 30 HB2 GLU 30 -13.683 -2.916 -0.272
228 HB3 GLU 30 HB3 GLU 30 -15.182 -2.597 -0.402
229 HG2 GLU 30 HG2 GLU 30 -15.171 -4.765 -2.037
230 HG3 GLU 30 HG3 GLU 30 -13.797 -5.079 -1.451
231 HA PRO 31 HA PRO 31 -17.296 -1.326 -5.044
232 HB2 PRO 31 HB2 PRO 31 -18.381 -4.063 -5.357
233 HB3 PRO 31 HB3 PRO 31 -18.285 -2.997 -6.358
234 HG2 PRO 31 HG2 PRO 31 -16.135 -4.531 -6.564
235 HG3 PRO 31 HG3 PRO 31 -15.929 -3.040 -6.719
236 HD2 PRO 31 HD2 PRO 31 -15.103 -4.373 -4.187
237 HD3 PRO 31 HD3 PRO 31 -14.433 -3.271 -4.955
238 HA PRO 32 HA PRO 32 -20.841 -2.552 -1.965
239 HB2 PRO 32 HB2 PRO 32 -19.614 -3.516 0.517
240 HB3 PRO 32 HB3 PRO 32 -20.835 -3.983 -0.127
241 HG2 PRO 32 HG2 PRO 32 -18.870 -5.650 -0.761
242 HG3 PRO 32 HG3 PRO 32 -19.838 -5.310 -1.859
243 HD2 PRO 32 HD2 PRO 32 -17.177 -3.898 -1.774
244 HD3 PRO 32 HD3 PRO 32 -17.812 -4.599 -2.908
245 H GLN 33 H GLN 33 -17.795 -1.012 -1.111
246 HA GLN 33 HA GLN 33 -19.218 1.145 0.408
247 HB2 GLN 33 HB2 GLN 33 -16.276 0.571 0.313
248 HB3 GLN 33 HB3 GLN 33 -16.862 1.878 0.953
249 HG2 GLN 33 HG2 GLN 33 -16.832 0.589 2.889
250 HG3 GLN 33 HG3 GLN 33 -18.308 0.537 2.553
251 HE21 GLN 33 HE21 GLN 33 -15.392 -1.373 1.631
252 HE22 GLN 33 HE22 GLN 33 -16.157 -2.953 1.771
253 H ALA 34 H ALA 34 -17.884 0.434 -2.669
254 HA ALA 34 HA ALA 34 -17.412 1.644 -4.522
255 HB1 ALA 34 HB1 ALA 34 -19.338 2.964 -5.244
256 HB2 ALA 34 HB2 ALA 34 -19.859 1.500 -4.397
257 HB3 ALA 34 HB3 ALA 34 -19.919 3.071 -3.568
258 H LEU 35 H LEU 35 -15.542 2.504 -2.918
259 HA LEU 35 HA LEU 35 -13.989 4.094 -2.512
260 HB2 LEU 35 HB2 LEU 35 -15.160 5.627 -4.810
261 HB3 LEU 35 HB3 LEU 35 -13.810 5.996 -4.178
262 HG LEU 35 HG LEU 35 -14.105 3.147 -5.191
263 HD11 LEU 35 HD11 LEU 35 -13.128 3.913 -7.320
264 HD12 LEU 35 HD12 LEU 35 -13.261 5.604 -6.784
265 HD13 LEU 35 HD13 LEU 35 -14.724 4.630 -7.049
266 HD21 LEU 35 HD21 LEU 35 -11.683 3.291 -5.411
267 HD22 LEU 35 HD22 LEU 35 -12.121 3.785 -3.767
268 HD23 LEU 35 HD23 LEU 35 -11.697 5.011 -4.967
269 HN1 NH2 36 H1 NHE 36 -16.895 4.534 -1.271
270 HN2 NH2 36 H2 NHE 36 -16.670 6.110 -0.537
Start of MODEL 13
1 H1 ARG 1 H1 ARG 1 8.019 11.679 -3.670
2 H2 ARG 1 H2 ARG 1 7.717 10.197 -3.043
3 H3 ARG 1 H3 ARG 1 8.391 10.342 -4.531
4 HA ARG 1 HA ARG 1 9.655 11.185 -2.009
5 HB2 ARG 1 HB2 ARG 1 10.200 8.726 -3.657
6 HB3 ARG 1 HB3 ARG 1 11.358 9.291 -2.815
7 HG2 ARG 1 HG2 ARG 1 8.844 8.316 -1.496
8 HG3 ARG 1 HG3 ARG 1 10.191 7.551 -1.565
9 HD2 ARG 1 HD2 ARG 1 11.258 9.675 -0.323
10 HD3 ARG 1 HD3 ARG 1 9.843 10.202 -0.107
11 HE ARG 1 HE ARG 1 9.665 7.527 0.802
12 HH11 ARG 1 HH11 ARG 1 11.240 10.514 1.795
13 HH12 ARG 1 HH12 ARG 1 11.484 9.931 3.418
14 HH21 ARG 1 HH21 ARG 1 10.194 6.805 2.762
15 HH22 ARG 1 HH22 ARG 1 10.841 7.889 3.988
16 H ASP 2 H ASP 2 11.961 11.643 -2.234
17 HA ASP 2 HA ASP 2 12.787 12.719 -4.889
18 HB2 ASP 2 HB2 ASP 2 11.926 14.562 -3.316
19 HB3 ASP 2 HB3 ASP 2 12.924 14.201 -2.238
20 HA PRO 3 HA PRO 3 16.843 11.542 -2.736
21 HB2 PRO 3 HB2 PRO 3 17.055 10.453 -0.308
22 HB3 PRO 3 HB3 PRO 3 16.927 11.956 -0.483
23 HG2 PRO 3 HG2 PRO 3 14.577 10.363 0.402
24 HG3 PRO 3 HG3 PRO 3 15.027 11.661 0.908
25 HD2 PRO 3 HD2 PRO 3 13.184 11.990 -1.032
26 HD3 PRO 3 HD3 PRO 3 14.306 13.027 -0.851
27 H LEU 4 H LEU 4 14.181 9.285 -2.037
28 HA LEU 4 HA LEU 4 13.841 7.077 -2.391
29 HB2 LEU 4 HB2 LEU 4 13.997 8.484 -4.802
30 HB3 LEU 4 HB3 LEU 4 14.899 7.347 -5.181
31 HG LEU 4 HG LEU 4 12.115 6.837 -4.022
32 HD11 LEU 4 HD11 LEU 4 12.019 8.038 -6.164
33 HD12 LEU 4 HD12 LEU 4 11.430 6.378 -6.335
34 HD13 LEU 4 HD13 LEU 4 13.056 6.804 -6.915
35 HD21 LEU 4 HD21 LEU 4 13.972 4.927 -5.500
36 HD22 LEU 4 HD22 LEU 4 12.303 4.578 -4.995
37 HD23 LEU 4 HD23 LEU 4 13.555 4.847 -3.777
38 H LEU 5 H LEU 5 16.317 7.317 -1.065
39 HA LEU 5 HA LEU 5 18.314 5.621 -2.315
40 HB2 LEU 5 HB2 LEU 5 18.219 6.460 0.566
41 HB3 LEU 5 HB3 LEU 5 19.444 5.784 -0.099
42 HG LEU 5 HG LEU 5 18.398 8.494 -1.017
43 HD11 LEU 5 HD11 LEU 5 19.412 8.517 1.222
44 HD12 LEU 5 HD12 LEU 5 20.413 9.376 0.041
45 HD13 LEU 5 HD13 LEU 5 20.878 7.743 0.574
46 HD21 LEU 5 HD21 LEU 5 19.504 7.391 -2.894
47 HD22 LEU 5 HD22 LEU 5 20.888 6.951 -1.860
48 HD23 LEU 5 HD23 LEU 5 20.553 8.655 -2.250
49 H ASP 6 H ASP 6 15.634 4.906 -0.178
50 HA ASP 6 HA ASP 6 16.190 2.004 -0.517
51 HB2 ASP 6 HB2 ASP 6 17.011 3.049 1.814
52 HB3 ASP 6 HB3 ASP 6 15.558 3.203 2.205
53 H ALA 7 H ALA 7 13.927 4.428 -0.788
54 HA ALA 7 HA ALA 7 11.561 3.398 0.320
55 HB1 ALA 7 HB1 ALA 7 11.833 5.693 -0.486
56 HB2 ALA 7 HB2 ALA 7 11.916 5.108 -2.165
57 HB3 ALA 7 HB3 ALA 7 10.427 4.913 -1.232
58 H NLE 8 H NLE 8 13.107 2.535 -2.763
59 HA NLE 8 HA NLE 8 10.974 1.223 -3.996
60 HB2 NLE 8 HB2 NLE 8 12.474 0.297 -5.496
61 HB3 NLE 8 HB3 NLE 8 13.168 1.837 -5.047
62 HG2 NLE 8 HG2 NLE 8 14.046 -0.924 -4.063
63 HG3 NLE 8 HG3 NLE 8 14.836 0.028 -5.302
64 HD2 NLE 8 HD2 NLE 8 14.675 0.774 -2.353
65 HD3 NLE 8 HD3 NLE 8 16.056 0.071 -3.188
66 HE1 NLE 8 HE1 NLE 8 16.425 2.447 -2.968
67 HE2 NLE 8 HE2 NLE 8 16.164 2.079 -4.682
68 HE3 NLE 8 HE3 NLE 8 14.866 2.823 -3.718
69 H ARG 9 H ARG 9 12.765 0.075 -1.250
70 HA ARG 9 HA ARG 9 11.605 -2.682 -1.476
71 HB2 ARG 9 HB2 ARG 9 13.350 -1.719 0.766
72 HB3 ARG 9 HB3 ARG 9 12.883 -3.176 0.546
73 HG2 ARG 9 HG2 ARG 9 14.195 -3.013 -1.789
74 HG3 ARG 9 HG3 ARG 9 14.775 -1.692 -1.323
75 HD2 ARG 9 HD2 ARG 9 15.368 -4.263 0.149
76 HD3 ARG 9 HD3 ARG 9 16.360 -3.436 -0.691
77 HE ARG 9 HE ARG 9 16.032 -1.489 0.970
78 HH11 ARG 9 HH11 ARG 9 15.789 -4.828 2.041
79 HH12 ARG 9 HH12 ARG 9 16.006 -4.375 3.709
80 HH21 ARG 9 HH21 ARG 9 16.138 -0.985 3.037
81 HH22 ARG 9 HH22 ARG 9 16.244 -2.235 4.266
82 H ARG 10 H ARG 10 11.815 -0.187 1.048
83 HA ARG 10 HA ARG 10 9.776 -1.392 2.651
84 HB2 ARG 10 HB2 ARG 10 10.416 0.325 4.206
85 HB3 ARG 10 HB3 ARG 10 11.699 -0.191 3.530
86 HG2 ARG 10 HG2 ARG 10 11.117 1.986 1.867
87 HG3 ARG 10 HG3 ARG 10 10.383 2.489 3.084
88 HD2 ARG 10 HD2 ARG 10 13.338 1.825 3.209
89 HD3 ARG 10 HD3 ARG 10 12.754 3.248 3.089
90 HE ARG 10 HE ARG 10 11.503 2.741 5.325
91 HH11 ARG 10 HH11 ARG 10 14.730 1.440 4.591
92 HH12 ARG 10 HH12 ARG 10 15.170 1.488 6.278
93 HH21 ARG 10 HH21 ARG 10 12.173 2.698 7.417
94 HH22 ARG 10 HH22 ARG 10 13.775 2.151 7.817
95 H GLU 11 H GLU 11 9.525 1.326 0.406
96 HA GLU 11 HA GLU 11 6.634 1.680 1.108
97 HB2 GLU 11 HB2 GLU 11 8.386 3.469 -0.557
98 HB3 GLU 11 HB3 GLU 11 6.883 3.693 -0.433
99 HG2 GLU 11 HG2 GLU 11 6.966 4.151 1.965
100 HG3 GLU 11 HG3 GLU 11 8.237 3.365 2.239
101 H GLY 12 H GLY 12 8.791 0.601 -1.501
102 HA2 GLY 12 HA2 GLY 12 6.882 0.007 -3.519
103 HA3 GLY 12 HA3 GLY 12 8.342 -0.929 -3.165
104 H ALA 13 H ALA 13 7.761 -1.910 -0.573
105 HA ALA 13 HA ALA 13 5.912 -4.026 -0.981
106 HB1 ALA 13 HB1 ALA 13 7.778 -4.135 0.605
107 HB2 ALA 13 HB2 ALA 13 7.038 -2.860 1.602
108 HB3 ALA 13 HB3 ALA 13 6.242 -4.441 1.436
109 H NLE 14 H NLE 14 5.451 -0.946 0.837
110 HA NLE 14 HA NLE 14 2.766 -1.478 1.626
111 HB2 NLE 14 HB2 NLE 14 4.236 1.144 1.217
112 HB3 NLE 14 HB3 NLE 14 2.592 1.026 1.862
113 HG2 NLE 14 HG2 NLE 14 3.409 -0.482 3.671
114 HG3 NLE 14 HG3 NLE 14 5.064 -0.256 3.110
115 HD2 NLE 14 HD2 NLE 14 3.220 1.958 4.120
116 HD3 NLE 14 HD3 NLE 14 4.469 1.151 5.072
117 HE1 NLE 14 HE1 NLE 14 6.214 2.006 3.518
118 HE2 NLE 14 HE2 NLE 14 4.954 2.879 2.607
119 HE3 NLE 14 HE3 NLE 14 5.292 3.308 4.292
120 H ASP 15 H ASP 15 4.049 -0.096 -1.388
121 HA ASP 15 HA ASP 15 1.561 0.631 -2.570
122 HB2 ASP 15 HB2 ASP 15 4.031 1.142 -3.336
123 HB3 ASP 15 HB3 ASP 15 4.116 -0.229 -3.965
124 H PHE 16 H PHE 16 2.719 -2.569 -1.947
125 HA PHE 16 HA PHE 16 0.453 -3.587 -3.602
126 HB2 PHE 16 HB2 PHE 16 1.638 -5.548 -4.147
127 HB3 PHE 16 HB3 PHE 16 2.421 -4.306 -4.686
128 HD1 PHE 16 HD1 PHE 16 2.437 -6.524 -1.614
129 HD2 PHE 16 HD2 PHE 16 4.740 -4.294 -4.502
130 HE1 PHE 16 HE1 PHE 16 4.529 -7.475 -0.685
131 HE2 PHE 16 HE2 PHE 16 6.827 -5.276 -3.593
132 HZ PHE 16 HZ PHE 16 6.728 -6.872 -1.683
133 H TRP 17 H TRP 17 1.688 -3.397 -0.370
134 HA TRP 17 HA TRP 17 -0.228 -5.290 0.741
135 HB2 TRP 17 HB2 TRP 17 1.577 -4.127 2.104
136 HB3 TRP 17 HB3 TRP 17 0.984 -2.720 1.827
137 HD1 TRP 17 HD1 TRP 17 -0.673 -1.716 3.460
138 HE1 TRP 17 HE1 TRP 17 -2.038 -2.542 5.472
139 HE3 TRP 17 HE3 TRP 17 0.197 -6.744 3.013
140 HZ2 TRP 17 HZ2 TRP 17 -2.662 -5.049 6.733
141 HZ3 TRP 17 HZ3 TRP 17 -0.786 -8.332 4.656
142 HH2 TRP 17 HH2 TRP 17 -2.189 -7.496 6.530
143 H SER 18 H SER 18 -0.392 -1.767 0.047
144 HA SER 18 HA SER 18 -3.120 -1.408 0.756
145 HB2 SER 18 HB2 SER 18 -2.801 0.800 -0.363
146 HB3 SER 18 HB3 SER 18 -1.626 0.475 0.584
147 HG SER 18 HG SER 18 -0.283 0.030 -1.067
148 H ALA 19 H ALA 19 -1.886 -2.943 -2.095
149 HA ALA 19 HA ALA 19 -4.159 -2.588 -3.820
150 HB1 ALA 19 HB1 ALA 19 -1.909 -3.326 -4.563
151 HB2 ALA 19 HB2 ALA 19 -2.138 -4.864 -3.688
152 HB3 ALA 19 HB3 ALA 19 -3.188 -4.451 -5.058
153 H GLY 20 H GLY 20 -3.858 -4.429 -0.891
154 HA2 GLY 20 HA2 GLY 20 -6.557 -5.628 -1.348
155 HA3 GLY 20 HA3 GLY 20 -5.208 -6.691 -0.953
156 H ABA 21 H ABU 21 -4.210 -4.389 0.887
157 HA ABA 21 HA ABU 21 -4.056 -4.157 3.118
158 HB3 ABA 21 HB3 ABU 21 -6.837 -3.031 2.711
159 HB2 ABA 21 HB2 ABU 21 -5.349 -2.267 2.139
160 HG1 ABA 21 HG1 ABU 21 -6.053 -1.291 4.263
161 HG3 ABA 21 HG3 ABU 21 -4.507 -2.142 4.468
162 HG2 ABA 21 HG2 ABU 21 -6.020 -2.882 5.049
163 H TYR 22 H TYR 22 -3.849 -6.108 4.071
164 HA TYR 22 HA TYR 22 -4.230 -7.908 5.339
165 HB2 TYR 22 HB2 TYR 22 -7.073 -7.220 5.873
166 HB3 TYR 22 HB3 TYR 22 -6.229 -8.303 6.640
167 HD1 TYR 22 HD1 TYR 22 -4.238 -7.715 8.077
168 HD2 TYR 22 HD2 TYR 22 -7.033 -4.803 6.551
169 HE1 TYR 22 HE1 TYR 22 -3.563 -6.122 9.876
170 HE2 TYR 22 HE2 TYR 22 -6.363 -3.213 8.346
171 HH TYR 22 HH TYR 22 -5.039 -2.880 10.200
172 H ALA 23 H ALA 23 -4.800 -7.759 2.381
173 HA ALA 23 HA ALA 23 -5.714 -8.914 0.652
174 HB1 ALA 23 HB1 ALA 23 -5.344 -11.333 0.701
175 HB2 ALA 23 HB2 ALA 23 -3.983 -10.475 1.442
176 HB3 ALA 23 HB3 ALA 23 -5.181 -11.293 2.469
177 H ARG 24 H ARG 24 -7.579 -7.662 1.924
178 HA ARG 24 HA ARG 24 -9.968 -9.407 2.427
179 HB2 ARG 24 HB2 ARG 24 -8.851 -8.519 4.410
180 HB3 ARG 24 HB3 ARG 24 -8.728 -7.035 3.848
181 HG2 ARG 24 HG2 ARG 24 -10.453 -6.998 5.506
182 HG3 ARG 24 HG3 ARG 24 -11.000 -6.506 4.174
183 HD2 ARG 24 HD2 ARG 24 -11.965 -9.000 3.867
184 HD3 ARG 24 HD3 ARG 24 -11.449 -9.309 5.279
185 HE ARG 24 HE ARG 24 -13.203 -8.143 6.245
186 HH11 ARG 24 HH11 ARG 24 -12.862 -6.903 2.972
187 HH12 ARG 24 HH12 ARG 24 -14.309 -5.925 3.102
188 HH21 ARG 24 HH21 ARG 24 -15.028 -6.823 6.326
189 HH22 ARG 24 HH22 ARG 24 -15.458 -5.881 4.921
190 H GLY 25 H GLY 25 -8.996 -7.771 -0.003
191 HA2 GLY 25 HA2 GLY 25 -10.172 -6.869 -1.789
192 HA3 GLY 25 HA3 GLY 25 -11.627 -6.778 -0.794
193 H VAL 26 H VAL 26 -8.774 -5.295 0.511
194 HA VAL 26 HA VAL 26 -8.482 -3.241 1.349
195 HB VAL 26 HB VAL 26 -7.204 -3.053 -0.534
196 HG11 VAL 26 HG11 VAL 26 -9.591 -2.074 -2.121
197 HG12 VAL 26 HG12 VAL 26 -7.896 -1.958 -2.643
198 HG13 VAL 26 HG13 VAL 26 -8.633 -3.541 -2.394
199 HG21 VAL 26 HG21 VAL 26 -8.687 -0.426 -0.270
200 HG22 VAL 26 HG22 VAL 26 -7.477 -1.040 0.886
201 HG23 VAL 26 HG23 VAL 26 -7.018 -0.671 -0.782
202 HA PRO 27 HA PRO 27 -12.894 -2.789 2.271
203 HB2 PRO 27 HB2 PRO 27 -11.939 -1.386 4.707
204 HB3 PRO 27 HB3 PRO 27 -13.071 -2.302 4.559
205 HG2 PRO 27 HG2 PRO 27 -10.938 -3.731 5.232
206 HG3 PRO 27 HG3 PRO 27 -11.851 -4.324 4.185
207 HD2 PRO 27 HD2 PRO 27 -9.249 -3.133 3.364
208 HD3 PRO 27 HD3 PRO 27 -9.939 -4.351 2.839
209 H LEU 28 H LEU 28 -10.786 0.137 2.564
210 HA LEU 28 HA LEU 28 -12.954 1.979 2.229
211 HB2 LEU 28 HB2 LEU 28 -11.265 3.639 2.188
212 HB3 LEU 28 HB3 LEU 28 -11.084 2.662 3.440
213 HG LEU 28 HG LEU 28 -8.995 3.466 2.496
214 HD11 LEU 28 HD11 LEU 28 -7.712 1.545 2.707
215 HD12 LEU 28 HD12 LEU 28 -9.016 0.458 2.176
216 HD13 LEU 28 HD13 LEU 28 -9.123 1.296 3.759
217 HD21 LEU 28 HD21 LEU 28 -9.562 3.451 0.124
218 HD22 LEU 28 HD22 LEU 28 -9.512 1.670 0.120
219 HD23 LEU 28 HD23 LEU 28 -8.040 2.600 0.476
220 H SER 29 H SER 29 -11.687 0.008 -0.091
221 HA SER 29 HA SER 29 -12.933 1.601 -2.277
222 HB2 SER 29 HB2 SER 29 -10.375 0.052 -2.698
223 HB3 SER 29 HB3 SER 29 -11.239 0.692 -3.825
224 HG SER 29 HG SER 29 -9.562 2.074 -3.106
225 H GLU 30 H GLU 30 -13.605 -0.922 -0.460
226 HA GLU 30 HA GLU 30 -13.880 -3.173 -2.247
227 HB2 GLU 30 HB2 GLU 30 -14.355 -2.680 0.514
228 HB3 GLU 30 HB3 GLU 30 -15.781 -2.961 0.011
229 HG2 GLU 30 HG2 GLU 30 -14.701 -5.126 -1.147
230 HG3 GLU 30 HG3 GLU 30 -13.464 -4.893 -0.309
231 HA PRO 31 HA PRO 31 -17.623 -1.881 -4.414
232 HB2 PRO 31 HB2 PRO 31 -18.508 -4.660 -4.763
233 HB3 PRO 31 HB3 PRO 31 -18.346 -3.604 -5.779
234 HG2 PRO 31 HG2 PRO 31 -16.191 -5.167 -5.770
235 HG3 PRO 31 HG3 PRO 31 -16.021 -3.692 -6.041
236 HD2 PRO 31 HD2 PRO 31 -15.297 -4.815 -3.363
237 HD3 PRO 31 HD3 PRO 31 -14.576 -3.792 -4.188
238 HA PRO 32 HA PRO 32 -20.779 -3.538 -1.023
239 HB2 PRO 32 HB2 PRO 32 -19.023 -4.248 1.255
240 HB3 PRO 32 HB3 PRO 32 -20.330 -4.797 0.915
241 HG2 PRO 32 HG2 PRO 32 -18.509 -6.408 -0.111
242 HG3 PRO 32 HG3 PRO 32 -19.679 -6.103 -1.002
243 HD2 PRO 32 HD2 PRO 32 -17.083 -4.653 -1.457
244 HD3 PRO 32 HD3 PRO 32 -17.953 -5.344 -2.438
245 H GLN 33 H GLN 33 -17.930 -1.525 -0.623
246 HA GLN 33 HA GLN 33 -19.483 0.435 1.027
247 HB2 GLN 33 HB2 GLN 33 -16.509 0.202 0.720
248 HB3 GLN 33 HB3 GLN 33 -17.172 1.492 1.318
249 HG2 GLN 33 HG2 GLN 33 -16.914 0.386 3.330
250 HG3 GLN 33 HG3 GLN 33 -18.385 0.134 3.095
251 HE21 GLN 33 HE21 GLN 33 -15.254 -1.476 2.334
252 HE22 GLN 33 HE22 GLN 33 -15.854 -3.122 2.544
253 H ALA 34 H ALA 34 -19.012 -0.198 -2.142
254 HA ALA 34 HA ALA 34 -18.836 0.948 -4.075
255 HB1 ALA 34 HB1 ALA 34 -20.649 2.566 -4.331
256 HB2 ALA 34 HB2 ALA 34 -21.160 1.191 -3.337
257 HB3 ALA 34 HB3 ALA 34 -20.766 2.745 -2.566
258 H LEU 35 H LEU 35 -16.531 1.481 -2.873
259 HA LEU 35 HA LEU 35 -14.693 2.785 -2.854
260 HB2 LEU 35 HB2 LEU 35 -15.935 4.654 -4.821
261 HB3 LEU 35 HB3 LEU 35 -14.412 4.531 -4.550
262 HG LEU 35 HG LEU 35 -16.000 2.191 -5.696
263 HD11 LEU 35 HD11 LEU 35 -14.937 2.802 -7.820
264 HD12 LEU 35 HD12 LEU 35 -14.180 4.220 -7.054
265 HD13 LEU 35 HD13 LEU 35 -15.950 4.120 -7.210
266 HD21 LEU 35 HD21 LEU 35 -13.771 1.324 -6.307
267 HD22 LEU 35 HD22 LEU 35 -13.966 1.458 -4.556
268 HD23 LEU 35 HD23 LEU 35 -13.000 2.671 -5.432
269 HN1 NH2 36 H1 NHE 36 -17.142 3.645 -1.031
270 HN2 NH2 36 H2 NHE 36 -16.535 5.163 -0.401
Start of MODEL 14
1 H1 ARG 1 H1 ARG 1 8.768 12.210 -4.107
2 H2 ARG 1 H2 ARG 1 8.297 10.742 -3.560
3 H3 ARG 1 H3 ARG 1 9.104 10.874 -4.981
4 HA ARG 1 HA ARG 1 10.229 11.537 -2.337
5 HB2 ARG 1 HB2 ARG 1 10.704 9.086 -4.024
6 HB3 ARG 1 HB3 ARG 1 11.828 9.530 -3.066
7 HG2 ARG 1 HG2 ARG 1 9.145 8.693 -2.008
8 HG3 ARG 1 HG3 ARG 1 10.439 7.848 -1.980
9 HD2 ARG 1 HD2 ARG 1 11.505 9.900 -0.593
10 HD3 ARG 1 HD3 ARG 1 10.090 10.470 -0.479
11 HE ARG 1 HE ARG 1 9.743 7.791 0.354
12 HH11 ARG 1 HH11 ARG 1 11.359 10.692 1.517
13 HH12 ARG 1 HH12 ARG 1 11.493 10.061 3.133
14 HH21 ARG 1 HH21 ARG 1 10.161 6.994 2.326
15 HH22 ARG 1 HH22 ARG 1 10.765 8.031 3.611
16 H ASP 2 H ASP 2 12.576 11.830 -2.362
17 HA ASP 2 HA ASP 2 13.644 12.983 -4.903
18 HB2 ASP 2 HB2 ASP 2 12.851 14.764 -3.248
19 HB3 ASP 2 HB3 ASP 2 13.732 14.240 -2.144
20 HA PRO 3 HA PRO 3 17.467 11.293 -2.653
21 HB2 PRO 3 HB2 PRO 3 17.468 10.070 -0.280
22 HB3 PRO 3 HB3 PRO 3 17.476 11.587 -0.379
23 HG2 PRO 3 HG2 PRO 3 14.956 10.159 0.314
24 HG3 PRO 3 HG3 PRO 3 15.492 11.376 0.917
25 HD2 PRO 3 HD2 PRO 3 13.778 11.970 -1.083
26 HD3 PRO 3 HD3 PRO 3 14.962 12.898 -0.791
27 H LEU 4 H LEU 4 14.581 9.271 -2.191
28 HA LEU 4 HA LEU 4 14.056 7.126 -2.649
29 HB2 LEU 4 HB2 LEU 4 14.472 8.577 -5.006
30 HB3 LEU 4 HB3 LEU 4 15.276 7.364 -5.375
31 HG LEU 4 HG LEU 4 12.401 7.106 -4.359
32 HD11 LEU 4 HD11 LEU 4 12.530 8.362 -6.474
33 HD12 LEU 4 HD12 LEU 4 11.787 6.773 -6.715
34 HD13 LEU 4 HD13 LEU 4 13.475 7.045 -7.207
35 HD21 LEU 4 HD21 LEU 4 14.138 5.055 -5.795
36 HD22 LEU 4 HD22 LEU 4 12.416 4.863 -5.391
37 HD23 LEU 4 HD23 LEU 4 13.616 4.979 -4.099
38 H LEU 5 H LEU 5 16.504 7.122 -1.215
39 HA LEU 5 HA LEU 5 18.362 5.234 -2.406
40 HB2 LEU 5 HB2 LEU 5 18.226 6.063 0.478
41 HB3 LEU 5 HB3 LEU 5 19.398 5.256 -0.132
42 HG LEU 5 HG LEU 5 18.707 8.067 -1.081
43 HD11 LEU 5 HD11 LEU 5 19.597 7.976 1.216
44 HD12 LEU 5 HD12 LEU 5 20.753 8.717 0.099
45 HD13 LEU 5 HD13 LEU 5 20.996 7.041 0.641
46 HD21 LEU 5 HD21 LEU 5 19.794 6.849 -2.903
47 HD22 LEU 5 HD22 LEU 5 21.058 6.259 -1.794
48 HD23 LEU 5 HD23 LEU 5 20.936 7.988 -2.192
49 H ASP 6 H ASP 6 15.543 4.820 -0.347
50 HA ASP 6 HA ASP 6 15.840 1.863 -0.569
51 HB2 ASP 6 HB2 ASP 6 16.713 2.983 1.722
52 HB3 ASP 6 HB3 ASP 6 15.270 3.236 2.084
53 H ALA 7 H ALA 7 13.785 4.400 -1.074
54 HA ALA 7 HA ALA 7 11.329 3.718 0.089
55 HB1 ALA 7 HB1 ALA 7 11.820 5.853 -1.012
56 HB2 ALA 7 HB2 ALA 7 11.837 5.040 -2.598
57 HB3 ALA 7 HB3 ALA 7 10.342 5.112 -1.649
58 H NLE 8 H NLE 8 12.765 2.445 -2.903
59 HA NLE 8 HA NLE 8 10.561 1.066 -3.923
60 HB2 NLE 8 HB2 NLE 8 12.003 -0.054 -5.360
61 HB3 NLE 8 HB3 NLE 8 12.708 1.526 -5.119
62 HG2 NLE 8 HG2 NLE 8 13.629 -1.106 -3.864
63 HG3 NLE 8 HG3 NLE 8 14.380 -0.285 -5.216
64 HD2 NLE 8 HD2 NLE 8 14.302 0.741 -2.349
65 HD3 NLE 8 HD3 NLE 8 15.668 -0.008 -3.163
66 HE1 NLE 8 HE1 NLE 8 15.982 2.398 -3.158
67 HE2 NLE 8 HE2 NLE 8 15.707 1.859 -4.825
68 HE3 NLE 8 HE3 NLE 8 14.405 2.663 -3.916
69 H ARG 9 H ARG 9 12.398 0.182 -1.114
70 HA ARG 9 HA ARG 9 11.110 -2.535 -1.011
71 HB2 ARG 9 HB2 ARG 9 13.032 -1.460 1.023
72 HB3 ARG 9 HB3 ARG 9 12.445 -2.894 0.998
73 HG2 ARG 9 HG2 ARG 9 13.652 -3.075 -1.408
74 HG3 ARG 9 HG3 ARG 9 14.374 -1.786 -1.075
75 HD2 ARG 9 HD2 ARG 9 14.782 -4.285 0.571
76 HD3 ARG 9 HD3 ARG 9 15.822 -3.586 -0.318
77 HE ARG 9 HE ARG 9 15.624 -1.522 1.230
78 HH11 ARG 9 HH11 ARG 9 15.232 -4.773 2.498
79 HH12 ARG 9 HH12 ARG 9 15.402 -4.221 4.143
80 HH21 ARG 9 HH21 ARG 9 15.642 -0.886 3.267
81 HH22 ARG 9 HH22 ARG 9 15.699 -2.058 4.572
82 H ARG 10 H ARG 10 11.587 0.251 1.180
83 HA ARG 10 HA ARG 10 9.642 -0.719 3.038
84 HB2 ARG 10 HB2 ARG 10 10.443 1.095 4.367
85 HB3 ARG 10 HB3 ARG 10 11.663 0.561 3.607
86 HG2 ARG 10 HG2 ARG 10 10.899 2.556 1.832
87 HG3 ARG 10 HG3 ARG 10 10.191 3.142 3.033
88 HD2 ARG 10 HD2 ARG 10 13.182 2.670 3.041
89 HD3 ARG 10 HD3 ARG 10 12.485 4.040 2.875
90 HE ARG 10 HE ARG 10 11.537 3.845 5.176
91 HH11 ARG 10 HH11 ARG 10 14.334 1.753 4.475
92 HH12 ARG 10 HH12 ARG 10 14.795 1.764 6.154
93 HH21 ARG 10 HH21 ARG 10 12.221 3.729 7.259
94 HH22 ARG 10 HH22 ARG 10 13.641 2.813 7.669
95 H GLU 11 H GLU 11 9.244 1.633 0.457
96 HA GLU 11 HA GLU 11 6.392 2.098 1.280
97 HB2 GLU 11 HB2 GLU 11 8.032 3.657 -0.701
98 HB3 GLU 11 HB3 GLU 11 6.531 3.891 -0.519
99 HG2 GLU 11 HG2 GLU 11 6.740 4.787 1.701
100 HG3 GLU 11 HG3 GLU 11 7.906 3.916 2.130
101 H GLY 12 H GLY 12 8.436 0.734 -1.296
102 HA2 GLY 12 HA2 GLY 12 6.453 -0.062 -3.154
103 HA3 GLY 12 HA3 GLY 12 7.931 -0.960 -2.775
104 H ALA 13 H ALA 13 7.483 -1.726 -0.107
105 HA ALA 13 HA ALA 13 5.693 -3.913 -0.263
106 HB1 ALA 13 HB1 ALA 13 7.602 -3.826 1.264
107 HB2 ALA 13 HB2 ALA 13 6.851 -2.490 2.169
108 HB3 ALA 13 HB3 ALA 13 6.102 -4.103 2.167
109 H NLE 14 H NLE 14 5.153 -0.688 1.251
110 HA NLE 14 HA NLE 14 2.501 -1.235 2.184
111 HB2 NLE 14 HB2 NLE 14 3.837 1.388 1.420
112 HB3 NLE 14 HB3 NLE 14 2.240 1.258 2.167
113 HG2 NLE 14 HG2 NLE 14 3.252 0.018 4.087
114 HG3 NLE 14 HG3 NLE 14 4.857 0.296 3.407
115 HD2 NLE 14 HD2 NLE 14 2.892 2.481 4.239
116 HD3 NLE 14 HD3 NLE 14 4.225 1.883 5.229
117 HE1 NLE 14 HE1 NLE 14 5.859 2.671 3.542
118 HE2 NLE 14 HE2 NLE 14 4.524 3.313 2.550
119 HE3 NLE 14 HE3 NLE 14 4.847 3.989 4.157
120 H ASP 15 H ASP 15 3.702 -0.034 -0.954
121 HA ASP 15 HA ASP 15 1.163 0.477 -2.143
122 HB2 ASP 15 HB2 ASP 15 3.585 1.133 -2.942
123 HB3 ASP 15 HB3 ASP 15 3.769 -0.253 -3.520
124 H PHE 16 H PHE 16 2.599 -2.617 -1.461
125 HA PHE 16 HA PHE 16 0.431 -3.859 -3.104
126 HB2 PHE 16 HB2 PHE 16 1.773 -5.722 -3.570
127 HB3 PHE 16 HB3 PHE 16 2.494 -4.444 -4.099
128 HD1 PHE 16 HD1 PHE 16 2.533 -6.556 -0.941
129 HD2 PHE 16 HD2 PHE 16 4.805 -4.341 -3.866
130 HE1 PHE 16 HE1 PHE 16 4.641 -7.360 0.080
131 HE2 PHE 16 HE2 PHE 16 6.911 -5.177 -2.860
132 HZ PHE 16 HZ PHE 16 6.835 -6.690 -0.884
133 H TRP 17 H TRP 17 1.574 -3.515 0.160
134 HA TRP 17 HA TRP 17 -0.249 -5.509 1.262
135 HB2 TRP 17 HB2 TRP 17 1.478 -4.302 2.653
136 HB3 TRP 17 HB3 TRP 17 0.896 -2.908 2.332
137 HD1 TRP 17 HD1 TRP 17 -0.638 -1.874 4.047
138 HE1 TRP 17 HE1 TRP 17 -2.105 -2.677 5.995
139 HE3 TRP 17 HE3 TRP 17 -0.150 -6.940 3.403
140 HZ2 TRP 17 HZ2 TRP 17 -2.946 -5.186 7.140
141 HZ3 TRP 17 HZ3 TRP 17 -1.285 -8.512 4.957
142 HH2 TRP 17 HH2 TRP 17 -2.651 -7.649 6.843
143 H SER 18 H SER 18 -0.576 -1.987 0.558
144 HA SER 18 HA SER 18 -3.349 -1.816 1.203
145 HB2 SER 18 HB2 SER 18 -3.144 0.436 0.182
146 HB3 SER 18 HB3 SER 18 -1.952 0.158 1.125
147 HG SER 18 HG SER 18 -0.581 -0.161 -0.538
148 H ALA 19 H ALA 19 -1.940 -3.276 -1.586
149 HA ALA 19 HA ALA 19 -4.172 -3.001 -3.388
150 HB1 ALA 19 HB1 ALA 19 -1.871 -3.635 -4.080
151 HB2 ALA 19 HB2 ALA 19 -2.054 -5.185 -3.221
152 HB3 ALA 19 HB3 ALA 19 -3.085 -4.811 -4.612
153 H GLY 20 H GLY 20 -3.918 -4.769 -0.438
154 HA2 GLY 20 HA2 GLY 20 -6.511 -6.135 -1.003
155 HA3 GLY 20 HA3 GLY 20 -5.128 -7.126 -0.538
156 H ABA 21 H ABU 21 -4.209 -4.970 1.374
157 HA ABA 21 HA ABU 21 -4.178 -4.764 3.610
158 HB3 ABA 21 HB3 ABU 21 -6.871 -3.499 3.054
159 HB2 ABA 21 HB2 ABU 21 -5.316 -2.799 2.592
160 HG1 ABA 21 HG1 ABU 21 -6.089 -1.816 4.690
161 HG3 ABA 21 HG3 ABU 21 -4.617 -2.765 4.977
162 HG2 ABA 21 HG2 ABU 21 -6.206 -3.417 5.442
163 H TYR 22 H TYR 22 -4.127 -6.613 4.726
164 HA TYR 22 HA TYR 22 -4.680 -8.419 5.932
165 HB2 TYR 22 HB2 TYR 22 -7.499 -7.578 6.332
166 HB3 TYR 22 HB3 TYR 22 -6.701 -8.606 7.199
167 HD1 TYR 22 HD1 TYR 22 -4.640 -7.859 8.581
168 HD2 TYR 22 HD2 TYR 22 -7.531 -5.147 6.879
169 HE1 TYR 22 HE1 TYR 22 -3.990 -6.116 10.244
170 HE2 TYR 22 HE2 TYR 22 -6.889 -3.412 8.544
171 HH TYR 22 HH TYR 22 -5.561 -2.894 10.337
172 H ALA 23 H ALA 23 -5.056 -8.329 2.981
173 HA ALA 23 HA ALA 23 -5.956 -9.432 1.218
174 HB1 ALA 23 HB1 ALA 23 -5.842 -11.865 1.349
175 HB2 ALA 23 HB2 ALA 23 -4.464 -11.131 2.190
176 HB3 ALA 23 HB3 ALA 23 -5.823 -11.798 3.125
177 H ARG 24 H ARG 24 -7.812 -7.973 2.432
178 HA ARG 24 HA ARG 24 -10.379 -9.519 2.544
179 HB2 ARG 24 HB2 ARG 24 -9.487 -8.668 4.688
180 HB3 ARG 24 HB3 ARG 24 -9.260 -7.198 4.152
181 HG2 ARG 24 HG2 ARG 24 -11.238 -7.130 5.509
182 HG3 ARG 24 HG3 ARG 24 -11.555 -6.636 4.104
183 HD2 ARG 24 HD2 ARG 24 -12.489 -9.113 3.640
184 HD3 ARG 24 HD3 ARG 24 -12.216 -9.434 5.117
185 HE ARG 24 HE ARG 24 -14.089 -8.241 5.786
186 HH11 ARG 24 HH11 ARG 24 -13.212 -7.019 2.604
187 HH12 ARG 24 HH12 ARG 24 -14.652 -6.029 2.494
188 HH21 ARG 24 HH21 ARG 24 -15.896 -6.915 5.560
189 HH22 ARG 24 HH22 ARG 24 -16.084 -5.978 4.100
190 H GLY 25 H GLY 25 -8.842 -7.724 0.405
191 HA2 GLY 25 HA2 GLY 25 -9.710 -6.873 -1.583
192 HA3 GLY 25 HA3 GLY 25 -11.327 -6.818 -0.877
193 H VAL 26 H VAL 26 -8.688 -5.307 0.841
194 HA VAL 26 HA VAL 26 -8.561 -3.246 1.738
195 HB VAL 26 HB VAL 26 -7.051 -3.080 0.002
196 HG11 VAL 26 HG11 VAL 26 -9.193 -1.950 -1.827
197 HG12 VAL 26 HG12 VAL 26 -7.446 -1.941 -2.138
198 HG13 VAL 26 HG13 VAL 26 -8.307 -3.476 -2.023
199 HG21 VAL 26 HG21 VAL 26 -8.514 -0.433 0.203
200 HG22 VAL 26 HG22 VAL 26 -7.429 -1.111 1.445
201 HG23 VAL 26 HG23 VAL 26 -6.807 -0.683 -0.153
202 HA PRO 27 HA PRO 27 -13.080 -2.859 1.973
203 HB2 PRO 27 HB2 PRO 27 -12.517 -1.530 4.571
204 HB3 PRO 27 HB3 PRO 27 -13.606 -2.443 4.240
205 HG2 PRO 27 HG2 PRO 27 -11.598 -3.893 5.172
206 HG3 PRO 27 HG3 PRO 27 -12.342 -4.452 3.977
207 HD2 PRO 27 HD2 PRO 27 -9.648 -3.248 3.599
208 HD3 PRO 27 HD3 PRO 27 -10.261 -4.442 2.933
209 H LEU 28 H LEU 28 -11.052 0.054 2.630
210 HA LEU 28 HA LEU 28 -13.145 1.918 2.102
211 HB2 LEU 28 HB2 LEU 28 -11.457 3.563 2.284
212 HB3 LEU 28 HB3 LEU 28 -11.373 2.560 3.505
213 HG LEU 28 HG LEU 28 -9.204 3.353 2.773
214 HD11 LEU 28 HD11 LEU 28 -7.949 1.337 2.901
215 HD12 LEU 28 HD12 LEU 28 -9.299 0.354 2.332
216 HD13 LEU 28 HD13 LEU 28 -9.379 1.153 3.926
217 HD21 LEU 28 HD21 LEU 28 -9.602 3.458 0.327
218 HD22 LEU 28 HD22 LEU 28 -9.482 1.687 0.258
219 HD23 LEU 28 HD23 LEU 28 -8.089 2.650 0.772
220 H SER 29 H SER 29 -11.559 0.014 -0.164
221 HA SER 29 HA SER 29 -12.661 1.641 -2.406
222 HB2 SER 29 HB2 SER 29 -9.956 0.287 -2.576
223 HB3 SER 29 HB3 SER 29 -10.712 0.885 -3.788
224 HG SER 29 HG SER 29 -9.253 2.376 -2.858
225 H GLU 30 H GLU 30 -13.329 -1.015 -0.775
226 HA GLU 30 HA GLU 30 -13.307 -3.161 -2.660
227 HB2 GLU 30 HB2 GLU 30 -14.142 -2.839 -0.005
228 HB3 GLU 30 HB3 GLU 30 -15.526 -2.958 -0.668
229 HG2 GLU 30 HG2 GLU 30 -14.507 -5.173 -1.808
230 HG3 GLU 30 HG3 GLU 30 -13.347 -5.059 -0.826
231 HA PRO 31 HA PRO 31 -16.615 -1.823 -5.390
232 HB2 PRO 31 HB2 PRO 31 -17.604 -4.266 -6.277
233 HB3 PRO 31 HB3 PRO 31 -16.577 -3.384 -6.956
234 HG2 PRO 31 HG2 PRO 31 -15.727 -5.755 -5.518
235 HG3 PRO 31 HG3 PRO 31 -14.993 -5.028 -6.568
236 HD2 PRO 31 HD2 PRO 31 -14.085 -4.504 -4.050
237 HD3 PRO 31 HD3 PRO 31 -13.878 -3.517 -5.205
238 HA PRO 32 HA PRO 32 -20.412 -3.492 -2.727
239 HB2 PRO 32 HB2 PRO 32 -19.102 -4.285 -0.186
240 HB3 PRO 32 HB3 PRO 32 -20.347 -4.785 -0.751
241 HG2 PRO 32 HG2 PRO 32 -18.418 -6.434 -1.486
242 HG3 PRO 32 HG3 PRO 32 -19.423 -6.088 -2.551
243 HD2 PRO 32 HD2 PRO 32 -16.743 -4.746 -2.579
244 HD3 PRO 32 HD3 PRO 32 -17.516 -5.352 -3.708
245 H GLN 33 H GLN 33 -17.629 -1.576 -1.672
246 HA GLN 33 HA GLN 33 -19.419 0.340 -0.229
247 HB2 GLN 33 HB2 GLN 33 -16.427 0.115 -0.171
248 HB3 GLN 33 HB3 GLN 33 -17.148 1.407 0.351
249 HG2 GLN 33 HG2 GLN 33 -17.162 0.273 2.367
250 HG3 GLN 33 HG3 GLN 33 -18.595 0.040 1.943
251 HE21 GLN 33 HE21 GLN 33 -15.409 -1.583 1.707
252 HE22 GLN 33 HE22 GLN 33 -16.042 -3.231 1.745
253 H ALA 34 H ALA 34 -18.233 -0.133 -3.339
254 HA ALA 34 HA ALA 34 -17.736 1.166 -5.121
255 HB1 ALA 34 HB1 ALA 34 -19.591 2.637 -5.723
256 HB2 ALA 34 HB2 ALA 34 -20.185 1.155 -4.951
257 HB3 ALA 34 HB3 ALA 34 -20.139 2.677 -4.031
258 H LEU 35 H LEU 35 -15.875 1.801 -3.326
259 HA LEU 35 HA LEU 35 -14.223 3.229 -2.784
260 HB2 LEU 35 HB2 LEU 35 -15.071 5.237 -4.799
261 HB3 LEU 35 HB3 LEU 35 -13.639 5.052 -4.220
262 HG LEU 35 HG LEU 35 -14.976 3.011 -6.045
263 HD11 LEU 35 HD11 LEU 35 -13.308 3.769 -7.673
264 HD12 LEU 35 HD12 LEU 35 -12.668 4.944 -6.502
265 HD13 LEU 35 HD13 LEU 35 -14.318 5.123 -7.139
266 HD21 LEU 35 HD21 LEU 35 -12.701 1.984 -6.166
267 HD22 LEU 35 HD22 LEU 35 -13.443 1.827 -4.575
268 HD23 LEU 35 HD23 LEU 35 -12.173 3.048 -4.842
269 HN1 NH2 36 H1 NHE 36 -17.163 3.791 -1.635
270 HN2 NH2 36 H2 NHE 36 -16.857 5.275 -0.754
Start of MODEL 15
1 H1 ARG 1 H1 ARG 1 8.679 12.432 -2.432
2 H2 ARG 1 H2 ARG 1 8.258 10.912 -2.001
3 H3 ARG 1 H3 ARG 1 8.910 11.201 -3.476
4 HA ARG 1 HA ARG 1 10.315 11.578 -0.911
5 HB2 ARG 1 HB2 ARG 1 10.599 9.326 -2.893
6 HB3 ARG 1 HB3 ARG 1 11.813 9.668 -2.008
7 HG2 ARG 1 HG2 ARG 1 9.234 8.735 -0.782
8 HG3 ARG 1 HG3 ARG 1 10.498 7.873 -0.986
9 HD2 ARG 1 HD2 ARG 1 11.785 9.682 0.505
10 HD3 ARG 1 HD3 ARG 1 10.430 10.337 0.801
11 HE ARG 1 HE ARG 1 9.935 7.628 1.405
12 HH11 ARG 1 HH11 ARG 1 11.904 10.251 2.682
13 HH12 ARG 1 HH12 ARG 1 12.078 9.469 4.228
14 HH21 ARG 1 HH21 ARG 1 10.369 6.635 3.281
15 HH22 ARG 1 HH22 ARG 1 11.174 7.486 4.592
16 H ASP 2 H ASP 2 12.649 11.875 -1.153
17 HA ASP 2 HA ASP 2 13.505 13.192 -3.682
18 HB2 ASP 2 HB2 ASP 2 12.752 14.923 -1.953
19 HB3 ASP 2 HB3 ASP 2 13.709 14.413 -0.911
20 HA PRO 3 HA PRO 3 17.492 11.582 -1.665
21 HB2 PRO 3 HB2 PRO 3 17.668 10.359 0.699
22 HB3 PRO 3 HB3 PRO 3 17.619 11.872 0.610
23 HG2 PRO 3 HG2 PRO 3 15.181 10.360 1.419
24 HG3 PRO 3 HG3 PRO 3 15.716 11.582 2.014
25 HD2 PRO 3 HD2 PRO 3 13.886 12.170 0.120
26 HD3 PRO 3 HD3 PRO 3 15.071 13.116 0.351
27 H LEU 4 H LEU 4 14.645 9.545 -1.173
28 HA LEU 4 HA LEU 4 14.144 7.377 -1.577
29 HB2 LEU 4 HB2 LEU 4 14.484 8.810 -3.949
30 HB3 LEU 4 HB3 LEU 4 15.325 7.628 -4.324
31 HG LEU 4 HG LEU 4 12.481 7.256 -3.260
32 HD11 LEU 4 HD11 LEU 4 13.493 7.259 -6.130
33 HD12 LEU 4 HD12 LEU 4 12.511 8.528 -5.365
34 HD13 LEU 4 HD13 LEU 4 11.830 6.911 -5.604
35 HD21 LEU 4 HD21 LEU 4 14.268 5.290 -4.752
36 HD22 LEU 4 HD22 LEU 4 12.568 5.021 -4.303
37 HD23 LEU 4 HD23 LEU 4 13.799 5.180 -3.045
38 H LEU 5 H LEU 5 16.494 7.368 -0.119
39 HA LEU 5 HA LEU 5 18.542 5.744 -1.300
40 HB2 LEU 5 HB2 LEU 5 18.220 7.208 1.141
41 HB3 LEU 5 HB3 LEU 5 18.457 5.808 1.662
42 HG LEU 5 HG LEU 5 20.348 7.089 -0.370
43 HD11 LEU 5 HD11 LEU 5 20.355 8.229 1.817
44 HD12 LEU 5 HD12 LEU 5 21.874 7.365 1.538
45 HD13 LEU 5 HD13 LEU 5 20.654 6.678 2.634
46 HD21 LEU 5 HD21 LEU 5 20.530 4.654 -0.516
47 HD22 LEU 5 HD22 LEU 5 20.650 4.524 1.254
48 HD23 LEU 5 HD23 LEU 5 21.945 5.301 0.314
49 H ASP 6 H ASP 6 15.737 4.918 0.674
50 HA ASP 6 HA ASP 6 16.178 2.027 0.094
51 HB2 ASP 6 HB2 ASP 6 16.959 2.861 2.517
52 HB3 ASP 6 HB3 ASP 6 15.502 3.068 2.872
53 H ALA 7 H ALA 7 14.026 4.546 -0.107
54 HA ALA 7 HA ALA 7 11.586 3.572 0.874
55 HB1 ALA 7 HB1 ALA 7 11.983 5.887 0.182
56 HB2 ALA 7 HB2 ALA 7 12.085 5.376 -1.520
57 HB3 ALA 7 HB3 ALA 7 10.564 5.206 -0.633
58 H NLE 8 H NLE 8 13.181 2.790 -2.201
59 HA NLE 8 HA NLE 8 11.025 1.627 -3.548
60 HB2 NLE 8 HB2 NLE 8 12.523 0.746 -5.075
61 HB3 NLE 8 HB3 NLE 8 13.257 2.233 -4.527
62 HG2 NLE 8 HG2 NLE 8 14.030 -0.609 -3.699
63 HG3 NLE 8 HG3 NLE 8 14.875 0.394 -4.857
64 HD2 NLE 8 HD2 NLE 8 14.676 0.950 -1.867
65 HD3 NLE 8 HD3 NLE 8 16.056 0.273 -2.723
66 HE1 NLE 8 HE1 NLE 8 16.477 2.622 -2.341
67 HE2 NLE 8 HE2 NLE 8 16.233 2.377 -4.078
68 HE3 NLE 8 HE3 NLE 8 14.938 3.082 -3.083
69 H ARG 9 H ARG 9 12.706 0.266 -0.828
70 HA ARG 9 HA ARG 9 11.517 -2.449 -1.268
71 HB2 ARG 9 HB2 ARG 9 13.111 -1.611 1.132
72 HB3 ARG 9 HB3 ARG 9 12.620 -3.048 0.833
73 HG2 ARG 9 HG2 ARG 9 14.082 -2.833 -1.414
74 HG3 ARG 9 HG3 ARG 9 14.684 -1.565 -0.841
75 HD2 ARG 9 HD2 ARG 9 15.059 -4.235 0.525
76 HD3 ARG 9 HD3 ARG 9 16.142 -3.418 -0.203
77 HE ARG 9 HE ARG 9 15.791 -1.543 1.531
78 HH11 ARG 9 HH11 ARG 9 15.368 -4.919 2.403
79 HH12 ARG 9 HH12 ARG 9 15.485 -4.564 4.104
80 HH21 ARG 9 HH21 ARG 9 15.751 -1.150 3.638
81 HH22 ARG 9 HH22 ARG 9 15.759 -2.471 4.793
82 H ARG 10 H ARG 10 11.541 -0.056 1.364
83 HA ARG 10 HA ARG 10 9.362 -1.307 2.745
84 HB2 ARG 10 HB2 ARG 10 9.854 0.381 4.411
85 HB3 ARG 10 HB3 ARG 10 11.174 -0.232 3.889
86 HG2 ARG 10 HG2 ARG 10 10.888 2.050 2.231
87 HG3 ARG 10 HG3 ARG 10 10.174 2.563 3.452
88 HD2 ARG 10 HD2 ARG 10 13.030 1.548 3.638
89 HD3 ARG 10 HD3 ARG 10 12.638 3.037 3.528
90 HE ARG 10 HE ARG 10 11.199 2.548 5.711
91 HH11 ARG 10 HH11 ARG 10 14.437 1.257 5.040
92 HH12 ARG 10 HH12 ARG 10 14.851 1.306 6.733
93 HH21 ARG 10 HH21 ARG 10 11.833 2.509 7.823
94 HH22 ARG 10 HH22 ARG 10 13.427 1.962 8.251
95 H GLU 11 H GLU 11 9.371 1.698 0.814
96 HA GLU 11 HA GLU 11 6.436 2.015 1.224
97 HB2 GLU 11 HB2 GLU 11 8.340 3.807 -0.268
98 HB3 GLU 11 HB3 GLU 11 6.838 4.061 -0.245
99 HG2 GLU 11 HG2 GLU 11 6.753 4.536 2.123
100 HG3 GLU 11 HG3 GLU 11 7.880 3.604 2.527
101 H GLY 12 H GLY 12 8.754 0.934 -1.232
102 HA2 GLY 12 HA2 GLY 12 6.996 0.472 -3.418
103 HA3 GLY 12 HA3 GLY 12 8.398 -0.520 -2.991
104 H ALA 13 H ALA 13 7.647 -1.627 -0.533
105 HA ALA 13 HA ALA 13 5.758 -3.649 -1.183
106 HB1 ALA 13 HB1 ALA 13 7.550 -3.949 0.460
107 HB2 ALA 13 HB2 ALA 13 6.802 -2.741 1.531
108 HB3 ALA 13 HB3 ALA 13 5.969 -4.274 1.190
109 H NLE 14 H NLE 14 5.303 -0.678 0.817
110 HA NLE 14 HA NLE 14 2.596 -1.118 1.524
111 HB2 NLE 14 HB2 NLE 14 4.091 1.477 1.018
112 HB3 NLE 14 HB3 NLE 14 2.453 1.397 1.667
113 HG2 NLE 14 HG2 NLE 14 3.192 0.159 3.623
114 HG3 NLE 14 HG3 NLE 14 4.836 0.041 2.989
115 HD2 NLE 14 HD2 NLE 14 5.006 2.549 3.029
116 HD3 NLE 14 HD3 NLE 14 3.391 2.616 3.758
117 HE1 NLE 14 HE1 NLE 14 5.151 2.801 5.476
118 HE2 NLE 14 HE2 NLE 14 4.223 1.302 5.701
119 HE3 NLE 14 HE3 NLE 14 5.843 1.247 4.962
120 H ASP 15 H ASP 15 3.946 0.285 -1.472
121 HA ASP 15 HA ASP 15 1.498 1.107 -2.643
122 HB2 ASP 15 HB2 ASP 15 3.988 1.581 -3.366
123 HB3 ASP 15 HB3 ASP 15 4.038 0.239 -4.062
124 H PHE 16 H PHE 16 2.646 -2.161 -2.276
125 HA PHE 16 HA PHE 16 0.384 -3.052 -4.022
126 HB2 PHE 16 HB2 PHE 16 1.612 -4.950 -4.703
127 HB3 PHE 16 HB3 PHE 16 2.388 -3.666 -5.124
128 HD1 PHE 16 HD1 PHE 16 2.370 -6.174 -2.289
129 HD2 PHE 16 HD2 PHE 16 4.705 -3.551 -4.797
130 HE1 PHE 16 HE1 PHE 16 4.457 -7.144 -1.368
131 HE2 PHE 16 HE2 PHE 16 6.788 -4.550 -3.898
132 HZ PHE 16 HZ PHE 16 6.671 -6.349 -2.182
133 H TRP 17 H TRP 17 1.669 -3.196 -0.785
134 HA TRP 17 HA TRP 17 -0.190 -5.226 0.156
135 HB2 TRP 17 HB2 TRP 17 1.716 -4.261 1.543
136 HB3 TRP 17 HB3 TRP 17 1.118 -2.841 1.512
137 HD1 TRP 17 HD1 TRP 17 -0.349 -2.122 3.458
138 HE1 TRP 17 HE1 TRP 17 -1.624 -3.268 5.368
139 HE3 TRP 17 HE3 TRP 17 0.271 -7.007 2.029
140 HZ2 TRP 17 HZ2 TRP 17 -2.268 -5.956 6.189
141 HZ3 TRP 17 HZ3 TRP 17 -0.679 -8.844 3.408
142 HH2 TRP 17 HH2 TRP 17 -1.921 -8.334 5.498
143 H SER 18 H SER 18 -0.387 -1.621 -0.029
144 HA SER 18 HA SER 18 -3.069 -1.438 0.917
145 HB2 SER 18 HB2 SER 18 -2.851 0.925 0.206
146 HB3 SER 18 HB3 SER 18 -1.568 0.475 0.929
147 HG SER 18 HG SER 18 -0.443 0.341 -0.937
148 H ALA 19 H ALA 19 -1.953 -2.364 -2.251
149 HA ALA 19 HA ALA 19 -4.330 -1.826 -3.750
150 HB1 ALA 19 HB1 ALA 19 -2.105 -2.323 -4.733
151 HB2 ALA 19 HB2 ALA 19 -2.227 -3.998 -4.139
152 HB3 ALA 19 HB3 ALA 19 -3.367 -3.401 -5.358
153 H GLY 20 H GLY 20 -3.809 -4.148 -1.244
154 HA2 GLY 20 HA2 GLY 20 -6.464 -5.414 -1.834
155 HA3 GLY 20 HA3 GLY 20 -5.054 -6.410 -1.476
156 H ABA 21 H ABU 21 -4.180 -4.297 0.557
157 HA ABA 21 HA ABU 21 -4.108 -4.193 2.795
158 HB3 ABA 21 HB3 ABU 21 -6.947 -3.202 2.416
159 HB2 ABA 21 HB2 ABU 21 -5.500 -2.305 1.945
160 HG1 ABA 21 HG1 ABU 21 -6.285 -1.551 4.133
161 HG3 ABA 21 HG3 ABU 21 -4.699 -2.332 4.292
162 HG2 ABA 21 HG2 ABU 21 -6.175 -3.197 4.783
163 H TYR 22 H TYR 22 -3.809 -6.268 3.483
164 HA TYR 22 HA TYR 22 -4.117 -8.184 4.604
165 HB2 TYR 22 HB2 TYR 22 -6.977 -7.668 5.215
166 HB3 TYR 22 HB3 TYR 22 -6.069 -8.766 5.879
167 HD1 TYR 22 HD1 TYR 22 -3.994 -8.126 7.259
168 HD2 TYR 22 HD2 TYR 22 -7.129 -5.365 6.180
169 HE1 TYR 22 HE1 TYR 22 -3.360 -6.654 9.170
170 HE2 TYR 22 HE2 TYR 22 -6.501 -3.901 8.093
171 HH TYR 22 HH TYR 22 -5.112 -3.610 9.894
172 H ALA 23 H ALA 23 -4.615 -7.829 1.695
173 HA ALA 23 HA ALA 23 -5.458 -8.857 -0.147
174 HB1 ALA 23 HB1 ALA 23 -5.078 -11.263 -0.258
175 HB2 ALA 23 HB2 ALA 23 -3.754 -10.463 0.607
176 HB3 ALA 23 HB3 ALA 23 -4.990 -11.361 1.514
177 H ARG 24 H ARG 24 -7.394 -7.719 1.199
178 HA ARG 24 HA ARG 24 -9.773 -9.529 1.419
179 HB2 ARG 24 HB2 ARG 24 -8.777 -8.744 3.522
180 HB3 ARG 24 HB3 ARG 24 -8.680 -7.227 3.059
181 HG2 ARG 24 HG2 ARG 24 -10.503 -7.328 4.601
182 HG3 ARG 24 HG3 ARG 24 -11.004 -6.811 3.262
183 HD2 ARG 24 HD2 ARG 24 -11.820 -9.333 2.802
184 HD3 ARG 24 HD3 ARG 24 -11.358 -9.683 4.222
185 HE ARG 24 HE ARG 24 -13.211 -8.641 5.153
186 HH11 ARG 24 HH11 ARG 24 -12.796 -7.279 1.940
187 HH12 ARG 24 HH12 ARG 24 -14.313 -6.412 2.009
188 HH21 ARG 24 HH21 ARG 24 -15.123 -7.448 5.182
189 HH22 ARG 24 HH22 ARG 24 -15.546 -6.488 3.786
190 H GLY 25 H GLY 25 -8.644 -7.505 -0.747
191 HA2 GLY 25 HA2 GLY 25 -9.762 -6.558 -2.551
192 HA3 GLY 25 HA3 GLY 25 -11.299 -6.704 -1.698
193 H VAL 26 H VAL 26 -8.632 -5.088 -0.113
194 HA VAL 26 HA VAL 26 -8.538 -3.067 0.878
195 HB VAL 26 HB VAL 26 -7.236 -2.721 -0.994
196 HG11 VAL 26 HG11 VAL 26 -9.622 -1.655 -2.538
197 HG12 VAL 26 HG12 VAL 26 -7.920 -1.539 -3.028
198 HG13 VAL 26 HG13 VAL 26 -8.683 -3.122 -2.891
199 HG21 VAL 26 HG21 VAL 26 -8.824 -0.180 -0.539
200 HG22 VAL 26 HG22 VAL 26 -7.590 -0.835 0.568
201 HG23 VAL 26 HG23 VAL 26 -7.146 -0.324 -1.066
202 HA PRO 27 HA PRO 27 -13.039 -3.079 1.536
203 HB2 PRO 27 HB2 PRO 27 -12.361 -1.846 4.155
204 HB3 PRO 27 HB3 PRO 27 -13.393 -2.834 3.862
205 HG2 PRO 27 HG2 PRO 27 -11.195 -4.148 4.530
206 HG3 PRO 27 HG3 PRO 27 -11.993 -4.704 3.369
207 HD2 PRO 27 HD2 PRO 27 -9.453 -3.251 2.839
208 HD3 PRO 27 HD3 PRO 27 -10.023 -4.454 2.155
209 H LEU 28 H LEU 28 -11.221 -0.031 2.204
210 HA LEU 28 HA LEU 28 -13.499 1.660 1.985
211 HB2 LEU 28 HB2 LEU 28 -11.945 3.438 2.083
212 HB3 LEU 28 HB3 LEU 28 -11.648 2.391 3.232
213 HG LEU 28 HG LEU 28 -9.645 3.411 2.312
214 HD11 LEU 28 HD11 LEU 28 -8.216 1.515 2.235
215 HD12 LEU 28 HD12 LEU 28 -9.524 0.433 1.751
216 HD13 LEU 28 HD13 LEU 28 -9.516 1.161 3.380
217 HD21 LEU 28 HD21 LEU 28 -10.315 3.554 -0.075
218 HD22 LEU 28 HD22 LEU 28 -10.040 1.804 -0.227
219 HD23 LEU 28 HD23 LEU 28 -8.696 2.879 0.178
220 H SER 29 H SER 29 -11.990 0.041 -0.558
221 HA SER 29 HA SER 29 -13.481 1.693 -2.544
222 HB2 SER 29 HB2 SER 29 -10.738 0.549 -3.110
223 HB3 SER 29 HB3 SER 29 -11.677 1.129 -4.196
224 HG SER 29 HG SER 29 -10.239 2.705 -3.378
225 H GLU 30 H GLU 30 -13.515 -1.216 -1.061
226 HA GLU 30 HA GLU 30 -13.775 -3.130 -3.163
227 HB2 GLU 30 HB2 GLU 30 -13.704 -3.310 -0.457
228 HB3 GLU 30 HB3 GLU 30 -15.236 -3.190 -0.534
229 HG2 GLU 30 HG2 GLU 30 -14.993 -5.256 -2.278
230 HG3 GLU 30 HG3 GLU 30 -13.570 -5.407 -1.756
231 HA PRO 31 HA PRO 31 -17.682 -1.919 -4.981
232 HB2 PRO 31 HB2 PRO 31 -18.441 -4.741 -5.437
233 HB3 PRO 31 HB3 PRO 31 -18.510 -3.614 -6.369
234 HG2 PRO 31 HG2 PRO 31 -16.206 -4.870 -6.748
235 HG3 PRO 31 HG3 PRO 31 -16.184 -3.359 -6.819
236 HD2 PRO 31 HD2 PRO 31 -15.103 -4.728 -4.406
237 HD3 PRO 31 HD3 PRO 31 -14.596 -3.513 -5.128
238 HA PRO 32 HA PRO 32 -20.894 -3.845 -1.877
239 HB2 PRO 32 HB2 PRO 32 -19.421 -4.766 0.488
240 HB3 PRO 32 HB3 PRO 32 -20.601 -5.363 -0.131
241 HG2 PRO 32 HG2 PRO 32 -18.466 -6.698 -0.963
242 HG3 PRO 32 HG3 PRO 32 -19.522 -6.425 -1.993
243 HD2 PRO 32 HD2 PRO 32 -17.076 -4.667 -1.921
244 HD3 PRO 32 HD3 PRO 32 -17.670 -5.372 -3.073
245 H GLN 33 H GLN 33 -18.071 -1.926 -1.029
246 HA GLN 33 HA GLN 33 -19.696 -0.134 0.732
247 HB2 GLN 33 HB2 GLN 33 -16.723 -0.210 0.344
248 HB3 GLN 33 HB3 GLN 33 -17.430 0.963 1.106
249 HG2 GLN 33 HG2 GLN 33 -17.034 -0.384 2.956
250 HG3 GLN 33 HG3 GLN 33 -18.515 -0.637 2.746
251 HE21 GLN 33 HE21 GLN 33 -15.422 -2.061 1.582
252 HE22 GLN 33 HE22 GLN 33 -15.960 -3.740 1.646
253 H ALA 34 H ALA 34 -19.065 -0.461 -2.513
254 HA ALA 34 HA ALA 34 -18.912 0.877 -4.322
255 HB1 ALA 34 HB1 ALA 34 -21.278 0.857 -3.656
256 HB2 ALA 34 HB2 ALA 34 -21.041 2.368 -2.747
257 HB3 ALA 34 HB3 ALA 34 -20.850 2.347 -4.514
258 H LEU 35 H LEU 35 -16.772 1.543 -2.702
259 HA LEU 35 HA LEU 35 -15.136 3.034 -2.309
260 HB2 LEU 35 HB2 LEU 35 -16.122 4.614 -4.641
261 HB3 LEU 35 HB3 LEU 35 -14.707 4.798 -3.946
262 HG LEU 35 HG LEU 35 -14.108 2.386 -4.540
263 HD11 LEU 35 HD11 LEU 35 -15.234 1.537 -6.622
264 HD12 LEU 35 HD12 LEU 35 -16.524 2.733 -6.371
265 HD13 LEU 35 HD13 LEU 35 -16.250 1.420 -5.198
266 HD21 LEU 35 HD21 LEU 35 -13.458 3.055 -6.816
267 HD22 LEU 35 HD22 LEU 35 -13.196 4.367 -5.663
268 HD23 LEU 35 HD23 LEU 35 -14.603 4.416 -6.751
269 HN1 NH2 36 H1 NHE 36 -17.861 3.594 -0.958
270 HN2 NH2 36 H2 NHE 36 -17.626 5.220 -0.343
Start of MODEL 16
1 H1 ARG 1 H1 ARG 1 8.726 12.512 -2.820
2 H2 ARG 1 H2 ARG 1 8.316 11.010 -2.317
3 H3 ARG 1 H3 ARG 1 9.083 11.222 -3.750
4 HA ARG 1 HA ARG 1 10.249 11.822 -1.108
5 HB2 ARG 1 HB2 ARG 1 10.777 9.461 -2.900
6 HB3 ARG 1 HB3 ARG 1 11.895 9.900 -1.935
7 HG2 ARG 1 HG2 ARG 1 9.254 8.932 -0.887
8 HG3 ARG 1 HG3 ARG 1 10.570 8.127 -0.909
9 HD2 ARG 1 HD2 ARG 1 11.601 10.133 0.562
10 HD3 ARG 1 HD3 ARG 1 10.176 10.674 0.707
11 HE ARG 1 HE ARG 1 9.885 7.953 1.416
12 HH11 ARG 1 HH11 ARG 1 11.442 10.828 2.718
13 HH12 ARG 1 HH12 ARG 1 11.580 10.124 4.305
14 HH21 ARG 1 HH21 ARG 1 10.313 7.073 3.345
15 HH22 ARG 1 HH22 ARG 1 10.891 8.058 4.682
16 H ASP 2 H ASP 2 12.592 12.177 -1.181
17 HA ASP 2 HA ASP 2 13.544 13.494 -3.688
18 HB2 ASP 2 HB2 ASP 2 12.782 15.145 -1.886
19 HB3 ASP 2 HB3 ASP 2 13.728 14.578 -0.862
20 HA PRO 3 HA PRO 3 17.487 11.760 -1.694
21 HB2 PRO 3 HB2 PRO 3 17.610 10.384 0.590
22 HB3 PRO 3 HB3 PRO 3 17.570 11.903 0.594
23 HG2 PRO 3 HG2 PRO 3 15.120 10.354 1.275
24 HG3 PRO 3 HG3 PRO 3 15.642 11.544 1.939
25 HD2 PRO 3 HD2 PRO 3 13.837 12.213 0.043
26 HD3 PRO 3 HD3 PRO 3 15.001 13.160 0.360
27 H LEU 4 H LEU 4 14.675 9.628 -1.273
28 HA LEU 4 HA LEU 4 14.194 7.503 -1.860
29 HB2 LEU 4 HB2 LEU 4 14.478 9.129 -4.121
30 HB3 LEU 4 HB3 LEU 4 15.296 7.967 -4.606
31 HG LEU 4 HG LEU 4 12.464 7.577 -3.516
32 HD11 LEU 4 HD11 LEU 4 13.461 7.683 -6.390
33 HD12 LEU 4 HD12 LEU 4 12.512 8.940 -5.566
34 HD13 LEU 4 HD13 LEU 4 11.793 7.351 -5.871
35 HD21 LEU 4 HD21 LEU 4 14.196 5.638 -5.103
36 HD22 LEU 4 HD22 LEU 4 12.492 5.389 -4.657
37 HD23 LEU 4 HD23 LEU 4 13.731 5.466 -3.399
38 H LEU 5 H LEU 5 16.695 7.462 -0.524
39 HA LEU 5 HA LEU 5 18.573 5.754 -1.926
40 HB2 LEU 5 HB2 LEU 5 18.499 6.319 1.022
41 HB3 LEU 5 HB3 LEU 5 19.682 5.617 0.309
42 HG LEU 5 HG LEU 5 18.851 8.468 -0.371
43 HD11 LEU 5 HD11 LEU 5 19.804 8.222 1.888
44 HD12 LEU 5 HD12 LEU 5 20.899 9.104 0.811
45 HD13 LEU 5 HD13 LEU 5 21.224 7.400 1.204
46 HD21 LEU 5 HD21 LEU 5 19.938 7.454 -2.316
47 HD22 LEU 5 HD22 LEU 5 21.254 6.831 -1.291
48 HD23 LEU 5 HD23 LEU 5 21.048 8.581 -1.538
49 H ASP 6 H ASP 6 15.846 5.047 0.170
50 HA ASP 6 HA ASP 6 16.214 2.139 -0.356
51 HB2 ASP 6 HB2 ASP 6 17.149 3.021 1.999
52 HB3 ASP 6 HB3 ASP 6 15.713 3.232 2.438
53 H ALA 7 H ALA 7 14.081 4.685 -0.469
54 HA ALA 7 HA ALA 7 11.698 3.762 0.688
55 HB1 ALA 7 HB1 ALA 7 12.083 6.058 -0.083
56 HB2 ALA 7 HB2 ALA 7 12.058 5.505 -1.777
57 HB3 ALA 7 HB3 ALA 7 10.600 5.381 -0.778
58 H NLE 8 H NLE 8 13.062 2.937 -2.486
59 HA NLE 8 HA NLE 8 10.822 1.759 -3.663
60 HB2 NLE 8 HB2 NLE 8 12.221 0.844 -5.273
61 HB3 NLE 8 HB3 NLE 8 12.973 2.351 -4.804
62 HG2 NLE 8 HG2 NLE 8 13.832 -0.465 -3.972
63 HG3 NLE 8 HG3 NLE 8 14.587 0.522 -5.204
64 HD2 NLE 8 HD2 NLE 8 14.581 1.130 -2.219
65 HD3 NLE 8 HD3 NLE 8 15.910 0.457 -3.154
66 HE1 NLE 8 HE1 NLE 8 16.318 2.822 -2.829
67 HE2 NLE 8 HE2 NLE 8 15.979 2.539 -4.545
68 HE3 NLE 8 HE3 NLE 8 14.733 3.247 -3.492
69 H ARG 9 H ARG 9 12.680 0.426 -1.050
70 HA ARG 9 HA ARG 9 11.422 -2.280 -1.360
71 HB2 ARG 9 HB2 ARG 9 13.237 -1.457 0.880
72 HB3 ARG 9 HB3 ARG 9 12.711 -2.892 0.621
73 HG2 ARG 9 HG2 ARG 9 13.988 -2.688 -1.734
74 HG3 ARG 9 HG3 ARG 9 14.637 -1.418 -1.220
75 HD2 ARG 9 HD2 ARG 9 15.131 -4.083 0.111
76 HD3 ARG 9 HD3 ARG 9 16.152 -3.247 -0.686
77 HE ARG 9 HE ARG 9 15.949 -1.402 1.077
78 HH11 ARG 9 HH11 ARG 9 15.416 -4.752 2.000
79 HH12 ARG 9 HH12 ARG 9 15.598 -4.382 3.693
80 HH21 ARG 9 HH21 ARG 9 15.995 -0.989 3.179
81 HH22 ARG 9 HH22 ARG 9 15.982 -2.297 4.347
82 H ARG 10 H ARG 10 11.770 0.099 1.261
83 HA ARG 10 HA ARG 10 9.737 -1.102 2.862
84 HB2 ARG 10 HB2 ARG 10 10.432 0.568 4.453
85 HB3 ARG 10 HB3 ARG 10 11.693 0.018 3.751
86 HG2 ARG 10 HG2 ARG 10 11.158 2.270 2.154
87 HG3 ARG 10 HG3 ARG 10 10.490 2.761 3.410
88 HD2 ARG 10 HD2 ARG 10 13.411 1.952 3.405
89 HD3 ARG 10 HD3 ARG 10 12.895 3.407 3.352
90 HE ARG 10 HE ARG 10 11.704 2.886 5.618
91 HH11 ARG 10 HH11 ARG 10 14.830 1.448 4.723
92 HH12 ARG 10 HH12 ARG 10 15.340 1.433 6.389
93 HH21 ARG 10 HH21 ARG 10 12.456 2.751 7.684
94 HH22 ARG 10 HH22 ARG 10 14.041 2.113 8.001
95 H GLU 11 H GLU 11 9.528 1.796 0.821
96 HA GLU 11 HA GLU 11 6.654 2.164 1.558
97 HB2 GLU 11 HB2 GLU 11 8.421 3.951 -0.102
98 HB3 GLU 11 HB3 GLU 11 6.926 4.211 0.059
99 HG2 GLU 11 HG2 GLU 11 7.071 4.618 2.457
100 HG3 GLU 11 HG3 GLU 11 8.310 3.769 2.695
101 H GLY 12 H GLY 12 8.735 1.158 -1.145
102 HA2 GLY 12 HA2 GLY 12 6.807 0.775 -3.178
103 HA3 GLY 12 HA3 GLY 12 8.235 -0.234 -2.913
104 H ALA 13 H ALA 13 7.636 -1.439 -0.434
105 HA ALA 13 HA ALA 13 5.738 -3.469 -1.040
106 HB1 ALA 13 HB1 ALA 13 7.603 -3.774 0.516
107 HB2 ALA 13 HB2 ALA 13 6.901 -2.581 1.634
108 HB3 ALA 13 HB3 ALA 13 6.062 -4.116 1.321
109 H NLE 14 H NLE 14 5.378 -0.605 1.129
110 HA NLE 14 HA NLE 14 2.704 -1.121 1.927
111 HB2 NLE 14 HB2 NLE 14 4.235 1.487 1.703
112 HB3 NLE 14 HB3 NLE 14 2.614 1.352 2.398
113 HG2 NLE 14 HG2 NLE 14 3.460 -0.333 4.033
114 HG3 NLE 14 HG3 NLE 14 5.098 -0.083 3.435
115 HD2 NLE 14 HD2 NLE 14 3.322 2.050 4.707
116 HD3 NLE 14 HD3 NLE 14 4.604 1.160 5.528
117 HE1 NLE 14 HE1 NLE 14 4.997 3.102 3.209
118 HE2 NLE 14 HE2 NLE 14 5.403 3.377 4.910
119 HE3 NLE 14 HE3 NLE 14 6.289 2.151 3.988
120 H ASP 15 H ASP 15 3.933 0.561 -0.955
121 HA ASP 15 HA ASP 15 1.476 1.574 -1.927
122 HB2 ASP 15 HB2 ASP 15 3.945 2.013 -2.728
123 HB3 ASP 15 HB3 ASP 15 3.915 0.726 -3.525
124 H PHE 16 H PHE 16 2.446 -1.760 -1.857
125 HA PHE 16 HA PHE 16 0.047 -2.378 -3.534
126 HB2 PHE 16 HB2 PHE 16 1.108 -4.213 -4.523
127 HB3 PHE 16 HB3 PHE 16 2.030 -2.993 -4.774
128 HD1 PHE 16 HD1 PHE 16 1.677 -5.903 -2.404
129 HD2 PHE 16 HD2 PHE 16 4.352 -3.120 -4.329
130 HE1 PHE 16 HE1 PHE 16 3.623 -7.201 -1.581
131 HE2 PHE 16 HE2 PHE 16 6.295 -4.442 -3.535
132 HZ PHE 16 HZ PHE 16 5.936 -6.480 -2.150
133 H TRP 17 H TRP 17 1.619 -2.967 -0.442
134 HA TRP 17 HA TRP 17 -0.228 -4.981 0.484
135 HB2 TRP 17 HB2 TRP 17 1.781 -4.190 1.789
136 HB3 TRP 17 HB3 TRP 17 1.253 -2.736 1.883
137 HD1 TRP 17 HD1 TRP 17 0.020 -2.043 3.973
138 HE1 TRP 17 HE1 TRP 17 -1.136 -3.211 5.945
139 HE3 TRP 17 HE3 TRP 17 0.228 -6.885 2.289
140 HZ2 TRP 17 HZ2 TRP 17 -1.834 -5.896 6.719
141 HZ3 TRP 17 HZ3 TRP 17 -0.680 -8.732 3.682
142 HH2 TRP 17 HH2 TRP 17 -1.680 -8.256 5.905
143 H SER 18 H SER 18 -0.416 -1.376 0.537
144 HA SER 18 HA SER 18 -3.025 -1.220 1.677
145 HB2 SER 18 HB2 SER 18 -2.873 1.157 0.950
146 HB3 SER 18 HB3 SER 18 -1.564 0.705 1.633
147 HG SER 18 HG SER 18 -0.491 0.619 -0.255
148 H ALA 19 H ALA 19 -2.097 -1.924 -1.637
149 HA ALA 19 HA ALA 19 -4.689 -1.450 -2.823
150 HB1 ALA 19 HB1 ALA 19 -2.531 -1.405 -4.067
151 HB2 ALA 19 HB2 ALA 19 -2.368 -3.159 -3.813
152 HB3 ALA 19 HB3 ALA 19 -3.709 -2.522 -4.779
153 H GLY 20 H GLY 20 -3.739 -3.900 -0.677
154 HA2 GLY 20 HA2 GLY 20 -6.068 -5.626 -1.493
155 HA3 GLY 20 HA3 GLY 20 -4.520 -6.303 -0.989
156 H ABA 21 H ABU 21 -4.152 -4.270 1.120
157 HA ABA 21 HA ABU 21 -4.310 -4.136 3.340
158 HB3 ABA 21 HB3 ABU 21 -7.223 -3.583 2.711
159 HB2 ABA 21 HB2 ABU 21 -5.891 -2.471 2.379
160 HG1 ABA 21 HG1 ABU 21 -6.958 -1.855 4.475
161 HG3 ABA 21 HG3 ABU 21 -5.312 -2.437 4.802
162 HG2 ABA 21 HG2 ABU 21 -6.714 -3.483 5.132
163 H TYR 22 H TYR 22 -3.760 -6.129 4.145
164 HA TYR 22 HA TYR 22 -3.898 -8.142 5.127
165 HB2 TYR 22 HB2 TYR 22 -6.735 -7.767 5.920
166 HB3 TYR 22 HB3 TYR 22 -5.705 -8.737 6.577
167 HD1 TYR 22 HD1 TYR 22 -3.676 -7.881 7.874
168 HD2 TYR 22 HD2 TYR 22 -6.937 -5.355 6.615
169 HE1 TYR 22 HE1 TYR 22 -3.033 -6.189 9.594
170 HE2 TYR 22 HE2 TYR 22 -6.295 -3.664 8.328
171 HH TYR 22 HH TYR 22 -4.851 -3.128 10.026
172 H ALA 23 H ALA 23 -4.523 -7.887 2.281
173 HA ALA 23 HA ALA 23 -5.387 -8.960 0.484
174 HB1 ALA 23 HB1 ALA 23 -4.953 -11.357 0.409
175 HB2 ALA 23 HB2 ALA 23 -3.636 -10.515 1.244
176 HB3 ALA 23 HB3 ALA 23 -4.844 -11.424 2.180
177 H ARG 24 H ARG 24 -7.359 -7.870 1.956
178 HA ARG 24 HA ARG 24 -9.669 -9.779 2.022
179 HB2 ARG 24 HB2 ARG 24 -8.893 -8.839 4.157
180 HB3 ARG 24 HB3 ARG 24 -8.913 -7.336 3.648
181 HG2 ARG 24 HG2 ARG 24 -10.838 -7.627 5.055
182 HG3 ARG 24 HG3 ARG 24 -11.241 -7.116 3.671
183 HD2 ARG 24 HD2 ARG 24 -11.844 -9.677 3.122
184 HD3 ARG 24 HD3 ARG 24 -11.515 -10.008 4.583
185 HE ARG 24 HE ARG 24 -13.521 -9.097 5.305
186 HH11 ARG 24 HH11 ARG 24 -12.841 -7.640 2.176
187 HH12 ARG 24 HH12 ARG 24 -14.393 -6.832 2.116
188 HH21 ARG 24 HH21 ARG 24 -15.474 -7.988 5.160
189 HH22 ARG 24 HH22 ARG 24 -15.794 -7.014 3.747
190 H GLY 25 H GLY 25 -8.502 -7.865 -0.185
191 HA2 GLY 25 HA2 GLY 25 -9.564 -7.153 -2.132
192 HA3 GLY 25 HA3 GLY 25 -11.137 -7.302 -1.346
193 H VAL 26 H VAL 26 -8.547 -5.405 0.093
194 HA VAL 26 HA VAL 26 -8.564 -3.292 0.899
195 HB VAL 26 HB VAL 26 -7.325 -3.094 -1.055
196 HG11 VAL 26 HG11 VAL 26 -9.796 -2.235 -2.597
197 HG12 VAL 26 HG12 VAL 26 -8.118 -2.104 -3.155
198 HG13 VAL 26 HG13 VAL 26 -8.818 -3.693 -2.862
199 HG21 VAL 26 HG21 VAL 26 -8.967 -0.570 -0.757
200 HG22 VAL 26 HG22 VAL 26 -7.677 -1.098 0.355
201 HG23 VAL 26 HG23 VAL 26 -7.300 -0.718 -1.330
202 HA PRO 27 HA PRO 27 -13.102 -3.456 1.526
203 HB2 PRO 27 HB2 PRO 27 -12.470 -2.127 4.111
204 HB3 PRO 27 HB3 PRO 27 -13.482 -3.145 3.839
205 HG2 PRO 27 HG2 PRO 27 -11.274 -4.395 4.571
206 HG3 PRO 27 HG3 PRO 27 -12.035 -4.998 3.409
207 HD2 PRO 27 HD2 PRO 27 -9.523 -3.484 2.885
208 HD3 PRO 27 HD3 PRO 27 -10.036 -4.734 2.242
209 H LEU 28 H LEU 28 -11.321 -0.368 2.073
210 HA LEU 28 HA LEU 28 -13.617 1.292 1.786
211 HB2 LEU 28 HB2 LEU 28 -12.075 3.087 1.804
212 HB3 LEU 28 HB3 LEU 28 -11.779 2.097 3.003
213 HG LEU 28 HG LEU 28 -9.774 3.080 2.057
214 HD11 LEU 28 HD11 LEU 28 -8.336 1.197 2.069
215 HD12 LEU 28 HD12 LEU 28 -9.623 0.086 1.598
216 HD13 LEU 28 HD13 LEU 28 -9.648 0.864 3.205
217 HD21 LEU 28 HD21 LEU 28 -10.423 3.139 -0.335
218 HD22 LEU 28 HD22 LEU 28 -10.162 1.385 -0.424
219 HD23 LEU 28 HD23 LEU 28 -8.809 2.461 -0.052
220 H SER 29 H SER 29 -12.084 -0.424 -0.682
221 HA SER 29 HA SER 29 -13.598 1.116 -2.737
222 HB2 SER 29 HB2 SER 29 -10.820 0.030 -3.260
223 HB3 SER 29 HB3 SER 29 -11.769 0.570 -4.360
224 HG SER 29 HG SER 29 -10.344 2.175 -3.549
225 H GLU 30 H GLU 30 -13.535 -1.751 -1.161
226 HA GLU 30 HA GLU 30 -13.718 -3.756 -3.162
227 HB2 GLU 30 HB2 GLU 30 -13.748 -3.811 -0.464
228 HB3 GLU 30 HB3 GLU 30 -15.279 -3.682 -0.590
229 HG2 GLU 30 HG2 GLU 30 -15.023 -5.834 -2.211
230 HG3 GLU 30 HG3 GLU 30 -13.609 -5.975 -1.657
231 HA PRO 31 HA PRO 31 -17.517 -2.696 -5.250
232 HB2 PRO 31 HB2 PRO 31 -18.260 -5.544 -5.559
233 HB3 PRO 31 HB3 PRO 31 -18.284 -4.480 -6.562
234 HG2 PRO 31 HG2 PRO 31 -15.964 -5.744 -6.743
235 HG3 PRO 31 HG3 PRO 31 -15.939 -4.241 -6.909
236 HD2 PRO 31 HD2 PRO 31 -14.970 -5.446 -4.365
237 HD3 PRO 31 HD3 PRO 31 -14.440 -4.272 -5.135
238 HA PRO 32 HA PRO 32 -20.923 -4.377 -2.229
239 HB2 PRO 32 HB2 PRO 32 -19.635 -5.196 0.273
240 HB3 PRO 32 HB3 PRO 32 -20.773 -5.815 -0.406
241 HG2 PRO 32 HG2 PRO 32 -18.586 -7.200 -0.990
242 HG3 PRO 32 HG3 PRO 32 -19.566 -6.990 -2.111
243 HD2 PRO 32 HD2 PRO 32 -17.118 -5.239 -1.971
244 HD3 PRO 32 HD3 PRO 32 -17.635 -6.010 -3.118
245 H GLN 33 H GLN 33 -18.109 -2.478 -1.303
246 HA GLN 33 HA GLN 33 -19.778 -0.565 0.274
247 HB2 GLN 33 HB2 GLN 33 -16.792 -0.696 -0.006
248 HB3 GLN 33 HB3 GLN 33 -17.509 0.531 0.655
249 HG2 GLN 33 HG2 GLN 33 -17.205 -0.700 2.599
250 HG3 GLN 33 HG3 GLN 33 -18.675 -0.963 2.348
251 HE21 GLN 33 HE21 GLN 33 -15.525 -2.459 1.500
252 HE22 GLN 33 HE22 GLN 33 -16.077 -4.130 1.598
253 H ALA 34 H ALA 34 -18.888 -1.068 -2.928
254 HA ALA 34 HA ALA 34 -18.642 0.193 -4.786
255 HB1 ALA 34 HB1 ALA 34 -21.050 0.064 -4.323
256 HB2 ALA 34 HB2 ALA 34 -20.978 1.624 -3.473
257 HB3 ALA 34 HB3 ALA 34 -20.633 1.536 -5.215
258 H LEU 35 H LEU 35 -16.672 1.044 -3.076
259 HA LEU 35 HA LEU 35 -15.178 2.643 -2.575
260 HB2 LEU 35 HB2 LEU 35 -15.953 4.152 -5.029
261 HB3 LEU 35 HB3 LEU 35 -14.606 4.294 -4.227
262 HG LEU 35 HG LEU 35 -14.318 1.663 -4.723
263 HD11 LEU 35 HD11 LEU 35 -15.043 1.157 -7.028
264 HD12 LEU 35 HD12 LEU 35 -15.952 2.683 -7.089
265 HD13 LEU 35 HD13 LEU 35 -16.437 1.387 -5.976
266 HD21 LEU 35 HD21 LEU 35 -12.970 2.298 -6.683
267 HD22 LEU 35 HD22 LEU 35 -12.734 3.426 -5.343
268 HD23 LEU 35 HD23 LEU 35 -13.762 3.892 -6.718
269 HN1 NH2 36 H1 NHE 36 -18.032 3.119 -1.500
270 HN2 NH2 36 H2 NHE 36 -17.939 4.783 -0.954
Start of MODEL 17
1 H1 ARG 1 H1 ARG 1 7.996 12.454 -3.186
2 H2 ARG 1 H2 ARG 1 7.629 10.925 -2.736
3 H3 ARG 1 H3 ARG 1 8.386 11.207 -4.161
4 HA ARG 1 HA ARG 1 9.541 11.747 -1.503
5 HB2 ARG 1 HB2 ARG 1 10.072 9.443 -3.362
6 HB3 ARG 1 HB3 ARG 1 11.237 9.891 -2.462
7 HG2 ARG 1 HG2 ARG 1 8.678 8.874 -1.263
8 HG3 ARG 1 HG3 ARG 1 9.993 8.080 -1.385
9 HD2 ARG 1 HD2 ARG 1 11.116 10.061 0.044
10 HD3 ARG 1 HD3 ARG 1 9.705 10.605 0.287
11 HE ARG 1 HE ARG 1 9.458 7.875 0.983
12 HH11 ARG 1 HH11 ARG 1 11.095 10.739 2.211
13 HH12 ARG 1 HH12 ARG 1 11.325 10.025 3.781
14 HH21 ARG 1 HH21 ARG 1 9.986 6.987 2.882
15 HH22 ARG 1 HH22 ARG 1 10.640 7.963 4.190
16 H ASP 2 H ASP 2 11.883 12.150 -1.573
17 HA ASP 2 HA ASP 2 12.813 13.546 -4.040
18 HB2 ASP 2 HB2 ASP 2 11.917 15.165 -2.271
19 HB3 ASP 2 HB3 ASP 2 12.862 14.655 -1.217
20 HA PRO 3 HA PRO 3 16.788 12.054 -1.923
21 HB2 PRO 3 HB2 PRO 3 16.927 10.697 0.370
22 HB3 PRO 3 HB3 PRO 3 16.802 12.211 0.363
23 HG2 PRO 3 HG2 PRO 3 14.425 10.528 0.988
24 HG3 PRO 3 HG3 PRO 3 14.861 11.751 1.659
25 HD2 PRO 3 HD2 PRO 3 13.073 12.300 -0.291
26 HD3 PRO 3 HD3 PRO 3 14.170 13.317 0.051
27 H LEU 4 H LEU 4 14.095 9.766 -1.574
28 HA LEU 4 HA LEU 4 13.731 7.632 -2.208
29 HB2 LEU 4 HB2 LEU 4 14.040 9.303 -4.436
30 HB3 LEU 4 HB3 LEU 4 14.918 8.177 -4.900
31 HG LEU 4 HG LEU 4 12.058 7.682 -3.935
32 HD11 LEU 4 HD11 LEU 4 13.182 7.845 -6.760
33 HD12 LEU 4 HD12 LEU 4 12.152 9.062 -5.972
34 HD13 LEU 4 HD13 LEU 4 11.504 7.452 -6.321
35 HD21 LEU 4 HD21 LEU 4 13.917 5.813 -5.461
36 HD22 LEU 4 HD22 LEU 4 12.206 5.505 -5.081
37 HD23 LEU 4 HD23 LEU 4 13.395 5.612 -3.778
38 H LEU 5 H LEU 5 16.220 7.718 -0.799
39 HA LEU 5 HA LEU 5 18.204 6.103 -2.149
40 HB2 LEU 5 HB2 LEU 5 18.002 6.599 0.807
41 HB3 LEU 5 HB3 LEU 5 19.237 5.968 0.120
42 HG LEU 5 HG LEU 5 18.305 8.797 -0.514
43 HD11 LEU 5 HD11 LEU 5 19.216 8.518 1.761
44 HD12 LEU 5 HD12 LEU 5 20.293 9.484 0.739
45 HD13 LEU 5 HD13 LEU 5 20.688 7.784 1.084
46 HD21 LEU 5 HD21 LEU 5 19.476 7.896 -2.460
47 HD22 LEU 5 HD22 LEU 5 20.788 7.278 -1.425
48 HD23 LEU 5 HD23 LEU 5 20.532 9.028 -1.617
49 H ASP 6 H ASP 6 15.466 5.250 -0.107
50 HA ASP 6 HA ASP 6 15.926 2.378 -0.729
51 HB2 ASP 6 HB2 ASP 6 16.832 3.210 1.664
52 HB3 ASP 6 HB3 ASP 6 15.393 3.340 2.107
53 H ALA 7 H ALA 7 13.731 4.825 -0.858
54 HA ALA 7 HA ALA 7 11.362 3.877 0.304
55 HB1 ALA 7 HB1 ALA 7 11.708 6.155 -0.566
56 HB2 ALA 7 HB2 ALA 7 11.672 5.524 -2.231
57 HB3 ALA 7 HB3 ALA 7 10.232 5.414 -1.208
58 H NLE 8 H NLE 8 12.763 3.020 -2.846
59 HA NLE 8 HA NLE 8 10.586 1.687 -3.978
60 HB2 NLE 8 HB2 NLE 8 12.029 0.823 -5.575
61 HB3 NLE 8 HB3 NLE 8 12.697 2.378 -5.142
62 HG2 NLE 8 HG2 NLE 8 13.714 -0.369 -4.262
63 HG3 NLE 8 HG3 NLE 8 14.415 0.644 -5.506
64 HD2 NLE 8 HD2 NLE 8 14.364 1.295 -2.530
65 HD3 NLE 8 HD3 NLE 8 15.731 0.676 -3.447
66 HE1 NLE 8 HE1 NLE 8 16.004 3.070 -3.152
67 HE2 NLE 8 HE2 NLE 8 15.715 2.731 -4.867
68 HE3 NLE 8 HE3 NLE 8 14.412 3.394 -3.853
69 H ARG 9 H ARG 9 12.527 0.532 -1.337
70 HA ARG 9 HA ARG 9 11.413 -2.247 -1.586
71 HB2 ARG 9 HB2 ARG 9 13.263 -1.272 0.572
72 HB3 ARG 9 HB3 ARG 9 12.743 -2.726 0.430
73 HG2 ARG 9 HG2 ARG 9 13.912 -2.641 -2.002
74 HG3 ARG 9 HG3 ARG 9 14.593 -1.361 -1.561
75 HD2 ARG 9 HD2 ARG 9 15.102 -3.985 -0.151
76 HD3 ARG 9 HD3 ARG 9 16.102 -3.197 -1.010
77 HE ARG 9 HE ARG 9 15.860 -1.255 0.719
78 HH11 ARG 9 HH11 ARG 9 15.805 -4.643 1.642
79 HH12 ARG 9 HH12 ARG 9 16.107 -4.262 3.315
80 HH21 ARG 9 HH21 ARG 9 16.037 -0.842 2.812
81 HH22 ARG 9 HH22 ARG 9 16.311 -2.142 3.959
82 H ARG 10 H ARG 10 11.674 0.199 0.994
83 HA ARG 10 HA ARG 10 9.710 -1.050 2.634
84 HB2 ARG 10 HB2 ARG 10 10.227 0.770 4.142
85 HB3 ARG 10 HB3 ARG 10 11.538 0.229 3.520
86 HG2 ARG 10 HG2 ARG 10 10.891 2.379 1.784
87 HG3 ARG 10 HG3 ARG 10 10.273 2.906 3.054
88 HD2 ARG 10 HD2 ARG 10 13.206 2.134 2.953
89 HD3 ARG 10 HD3 ARG 10 12.672 3.581 2.838
90 HE ARG 10 HE ARG 10 11.587 3.202 5.170
91 HH11 ARG 10 HH11 ARG 10 14.659 1.656 4.258
92 HH12 ARG 10 HH12 ARG 10 15.236 1.762 5.896
93 HH21 ARG 10 HH21 ARG 10 12.423 3.209 7.205
94 HH22 ARG 10 HH22 ARG 10 14.012 2.572 7.504
95 H GLU 11 H GLU 11 9.318 1.842 0.576
96 HA GLU 11 HA GLU 11 6.420 1.986 1.255
97 HB2 GLU 11 HB2 GLU 11 8.048 3.830 -0.481
98 HB3 GLU 11 HB3 GLU 11 6.542 3.997 -0.304
99 HG2 GLU 11 HG2 GLU 11 6.685 4.540 2.054
100 HG3 GLU 11 HG3 GLU 11 7.931 3.722 2.341
101 H GLY 12 H GLY 12 8.560 1.045 -1.427
102 HA2 GLY 12 HA2 GLY 12 6.659 0.527 -3.451
103 HA3 GLY 12 HA3 GLY 12 8.151 -0.385 -3.189
104 H ALA 13 H ALA 13 7.656 -1.642 -0.723
105 HA ALA 13 HA ALA 13 5.867 -3.772 -1.354
106 HB1 ALA 13 HB1 ALA 13 7.797 -4.022 0.133
107 HB2 ALA 13 HB2 ALA 13 7.061 -2.912 1.315
108 HB3 ALA 13 HB3 ALA 13 6.303 -4.483 0.969
109 H NLE 14 H NLE 14 5.408 -0.969 0.873
110 HA NLE 14 HA NLE 14 2.783 -1.666 1.718
111 HB2 NLE 14 HB2 NLE 14 4.166 1.027 1.526
112 HB3 NLE 14 HB3 NLE 14 2.556 0.799 2.223
113 HG2 NLE 14 HG2 NLE 14 3.486 -0.864 3.830
114 HG3 NLE 14 HG3 NLE 14 5.108 -0.532 3.232
115 HD2 NLE 14 HD2 NLE 14 3.243 1.503 4.538
116 HD3 NLE 14 HD3 NLE 14 4.561 0.654 5.347
117 HE1 NLE 14 HE1 NLE 14 4.877 2.647 3.058
118 HE2 NLE 14 HE2 NLE 14 5.263 2.914 4.766
119 HE3 NLE 14 HE3 NLE 14 6.205 1.741 3.829
120 H ASP 15 H ASP 15 3.850 0.117 -1.178
121 HA ASP 15 HA ASP 15 1.289 0.936 -2.095
122 HB2 ASP 15 HB2 ASP 15 3.680 1.595 -2.952
123 HB3 ASP 15 HB3 ASP 15 3.769 0.300 -3.727
124 H PHE 16 H PHE 16 2.613 -2.299 -2.103
125 HA PHE 16 HA PHE 16 0.270 -3.147 -3.758
126 HB2 PHE 16 HB2 PHE 16 1.495 -4.939 -4.645
127 HB3 PHE 16 HB3 PHE 16 2.239 -3.611 -4.991
128 HD1 PHE 16 HD1 PHE 16 2.373 -6.305 -2.328
129 HD2 PHE 16 HD2 PHE 16 4.566 -3.556 -4.828
130 HE1 PHE 16 HE1 PHE 16 4.506 -7.335 -1.596
131 HE2 PHE 16 HE2 PHE 16 6.693 -4.614 -4.122
132 HZ PHE 16 HZ PHE 16 6.670 -6.504 -2.501
133 H TRP 17 H TRP 17 1.658 -3.410 -0.587
134 HA TRP 17 HA TRP 17 -0.151 -5.531 0.291
135 HB2 TRP 17 HB2 TRP 17 1.741 -4.644 1.716
136 HB3 TRP 17 HB3 TRP 17 1.176 -3.207 1.723
137 HD1 TRP 17 HD1 TRP 17 -0.305 -2.485 3.652
138 HE1 TRP 17 HE1 TRP 17 -1.578 -3.630 5.564
139 HE3 TRP 17 HE3 TRP 17 0.280 -7.371 2.206
140 HZ2 TRP 17 HZ2 TRP 17 -2.230 -6.317 6.384
141 HZ3 TRP 17 HZ3 TRP 17 -0.667 -9.206 3.592
142 HH2 TRP 17 HH2 TRP 17 -1.887 -8.693 5.693
143 H SER 18 H SER 18 -0.383 -1.925 0.331
144 HA SER 18 HA SER 18 -3.065 -1.820 1.278
145 HB2 SER 18 HB2 SER 18 -2.872 0.584 0.689
146 HB3 SER 18 HB3 SER 18 -1.599 0.103 1.418
147 HG SER 18 HG SER 18 -0.433 0.070 -0.430
148 H ALA 19 H ALA 19 -1.954 -2.551 -1.940
149 HA ALA 19 HA ALA 19 -4.345 -1.961 -3.396
150 HB1 ALA 19 HB1 ALA 19 -2.122 -2.397 -4.412
151 HB2 ALA 19 HB2 ALA 19 -2.228 -4.098 -3.891
152 HB3 ALA 19 HB3 ALA 19 -3.378 -3.457 -5.079
153 H GLY 20 H GLY 20 -3.816 -4.391 -0.995
154 HA2 GLY 20 HA2 GLY 20 -6.462 -5.640 -1.642
155 HA3 GLY 20 HA3 GLY 20 -5.041 -6.657 -1.410
156 H ABA 21 H ABU 21 -4.110 -4.758 0.781
157 HA ABA 21 HA ABU 21 -3.949 -4.893 3.009
158 HB3 ABA 21 HB3 ABU 21 -6.769 -3.799 2.848
159 HB2 ABA 21 HB2 ABU 21 -5.318 -2.896 2.398
160 HG1 ABA 21 HG1 ABU 21 -5.972 -2.327 4.675
161 HG3 ABA 21 HG3 ABU 21 -4.420 -3.185 4.701
162 HG2 ABA 21 HG2 ABU 21 -5.917 -4.029 5.165
163 H TYR 22 H TYR 22 -3.674 -6.911 3.751
164 HA TYR 22 HA TYR 22 -4.009 -8.938 4.649
165 HB2 TYR 22 HB2 TYR 22 -6.879 -8.477 5.258
166 HB3 TYR 22 HB3 TYR 22 -5.959 -9.576 5.883
167 HD1 TYR 22 HD1 TYR 22 -3.899 -8.922 7.315
168 HD2 TYR 22 HD2 TYR 22 -7.127 -6.237 6.324
169 HE1 TYR 22 HE1 TYR 22 -3.339 -7.511 9.296
170 HE2 TYR 22 HE2 TYR 22 -6.575 -4.836 8.306
171 HH TYR 22 HH TYR 22 -5.213 -4.571 10.133
172 H ALA 23 H ALA 23 -4.516 -8.305 1.775
173 HA ALA 23 HA ALA 23 -5.401 -9.109 -0.150
174 HB1 ALA 23 HB1 ALA 23 -5.045 -11.487 -0.541
175 HB2 ALA 23 HB2 ALA 23 -3.705 -10.808 0.400
176 HB3 ALA 23 HB3 ALA 23 -4.947 -11.792 1.206
177 H ARG 24 H ARG 24 -7.323 -8.196 1.547
178 HA ARG 24 HA ARG 24 -9.649 -10.057 1.595
179 HB2 ARG 24 HB2 ARG 24 -8.782 -8.944 3.653
180 HB3 ARG 24 HB3 ARG 24 -8.871 -7.489 3.022
181 HG2 ARG 24 HG2 ARG 24 -10.766 -7.639 4.451
182 HG3 ARG 24 HG3 ARG 24 -11.255 -7.408 3.029
183 HD2 ARG 24 HD2 ARG 24 -11.647 -10.075 2.931
184 HD3 ARG 24 HD3 ARG 24 -11.239 -10.130 4.407
185 HE ARG 24 HE ARG 24 -13.262 -9.195 5.091
186 HH11 ARG 24 HH11 ARG 24 -12.900 -8.481 1.652
187 HH12 ARG 24 HH12 ARG 24 -14.504 -7.774 1.569
188 HH21 ARG 24 HH21 ARG 24 -15.270 -8.187 4.855
189 HH22 ARG 24 HH22 ARG 24 -15.711 -7.546 3.290
190 H GLY 25 H GLY 25 -8.519 -7.429 -0.241
191 HA2 GLY 25 HA2 GLY 25 -9.713 -6.675 -2.210
192 HA3 GLY 25 HA3 GLY 25 -11.248 -6.865 -1.364
193 H VAL 26 H VAL 26 -8.557 -5.396 0.316
194 HA VAL 26 HA VAL 26 -8.408 -3.466 1.445
195 HB VAL 26 HB VAL 26 -7.124 -2.986 -0.390
196 HG11 VAL 26 HG11 VAL 26 -9.533 -1.877 -1.858
197 HG12 VAL 26 HG12 VAL 26 -7.837 -1.655 -2.341
198 HG13 VAL 26 HG13 VAL 26 -8.536 -3.273 -2.311
199 HG21 VAL 26 HG21 VAL 26 -8.718 -0.488 0.251
200 HG22 VAL 26 HG22 VAL 26 -7.447 -1.204 1.277
201 HG23 VAL 26 HG23 VAL 26 -7.056 -0.573 -0.328
202 HA PRO 27 HA PRO 27 -12.855 -3.271 2.329
203 HB2 PRO 27 HB2 PRO 27 -11.963 -2.245 4.970
204 HB3 PRO 27 HB3 PRO 27 -13.064 -3.155 4.678
205 HG2 PRO 27 HG2 PRO 27 -10.915 -4.620 5.154
206 HG3 PRO 27 HG3 PRO 27 -11.790 -5.072 4.008
207 HD2 PRO 27 HD2 PRO 27 -9.214 -3.701 3.425
208 HD3 PRO 27 HD3 PRO 27 -9.869 -4.844 2.713
209 H LEU 28 H LEU 28 -10.798 -0.381 3.047
210 HA LEU 28 HA LEU 28 -13.010 1.439 2.988
211 HB2 LEU 28 HB2 LEU 28 -11.384 3.133 3.210
212 HB3 LEU 28 HB3 LEU 28 -11.133 1.997 4.283
213 HG LEU 28 HG LEU 28 -9.088 2.997 3.432
214 HD11 LEU 28 HD11 LEU 28 -7.740 1.050 3.218
215 HD12 LEU 28 HD12 LEU 28 -9.095 0.061 2.669
216 HD13 LEU 28 HD13 LEU 28 -9.053 0.675 4.345
217 HD21 LEU 28 HD21 LEU 28 -9.749 3.334 1.065
218 HD22 LEU 28 HD22 LEU 28 -9.568 1.589 0.792
219 HD23 LEU 28 HD23 LEU 28 -8.165 2.562 1.259
220 H SER 29 H SER 29 -11.713 -0.160 0.385
221 HA SER 29 HA SER 29 -12.997 1.702 -1.557
222 HB2 SER 29 HB2 SER 29 -10.367 0.312 -2.125
223 HB3 SER 29 HB3 SER 29 -11.208 1.050 -3.191
224 HG SER 29 HG SER 29 -9.608 2.393 -2.239
225 H GLU 30 H GLU 30 -13.577 -1.072 -0.121
226 HA GLU 30 HA GLU 30 -13.652 -3.101 -2.109
227 HB2 GLU 30 HB2 GLU 30 -14.301 -2.907 0.611
228 HB3 GLU 30 HB3 GLU 30 -15.716 -3.079 0.051
229 HG2 GLU 30 HG2 GLU 30 -14.673 -5.207 -1.233
230 HG3 GLU 30 HG3 GLU 30 -13.439 -5.047 -0.354
231 HA PRO 31 HA PRO 31 -17.281 -1.930 -4.529
232 HB2 PRO 31 HB2 PRO 31 -18.000 -4.745 -4.998
233 HB3 PRO 31 HB3 PRO 31 -17.861 -3.655 -5.971
234 HG2 PRO 31 HG2 PRO 31 -15.601 -5.046 -5.903
235 HG3 PRO 31 HG3 PRO 31 -15.490 -3.543 -6.058
236 HD2 PRO 31 HD2 PRO 31 -14.893 -4.788 -3.413
237 HD3 PRO 31 HD3 PRO 31 -14.181 -3.683 -4.132
238 HA PRO 32 HA PRO 32 -20.716 -3.713 -1.537
239 HB2 PRO 32 HB2 PRO 32 -19.286 -4.533 0.908
240 HB3 PRO 32 HB3 PRO 32 -20.502 -5.100 0.341
241 HG2 PRO 32 HG2 PRO 32 -18.472 -6.599 -0.451
242 HG3 PRO 32 HG3 PRO 32 -19.512 -6.299 -1.496
243 HD2 PRO 32 HD2 PRO 32 -16.949 -4.718 -1.499
244 HD3 PRO 32 HD3 PRO 32 -17.610 -5.420 -2.621
245 H GLN 33 H GLN 33 -17.902 -1.783 -0.704
246 HA GLN 33 HA GLN 33 -19.553 0.136 0.886
247 HB2 GLN 33 HB2 GLN 33 -16.568 -0.078 0.644
248 HB3 GLN 33 HB3 GLN 33 -17.238 1.207 1.245
249 HG2 GLN 33 HG2 GLN 33 -17.022 0.064 3.245
250 HG3 GLN 33 HG3 GLN 33 -18.497 -0.157 2.979
251 HE21 GLN 33 HE21 GLN 33 -15.352 -1.809 2.510
252 HE22 GLN 33 HE22 GLN 33 -15.999 -3.445 2.552
253 H ALA 34 H ALA 34 -19.125 -0.428 -2.258
254 HA ALA 34 HA ALA 34 -19.015 0.695 -4.188
255 HB1 ALA 34 HB1 ALA 34 -21.257 1.194 -3.297
256 HB2 ALA 34 HB2 ALA 34 -20.645 2.716 -2.606
257 HB3 ALA 34 HB3 ALA 34 -20.667 2.477 -4.366
258 H LEU 35 H LEU 35 -16.637 1.162 -2.690
259 HA LEU 35 HA LEU 35 -14.810 2.448 -2.493
260 HB2 LEU 35 HB2 LEU 35 -15.499 2.526 -5.210
261 HB3 LEU 35 HB3 LEU 35 -15.327 4.010 -4.987
262 HG LEU 35 HG LEU 35 -13.164 1.981 -4.264
263 HD11 LEU 35 HD11 LEU 35 -11.994 2.855 -6.243
264 HD12 LEU 35 HD12 LEU 35 -13.357 3.948 -6.579
265 HD13 LEU 35 HD13 LEU 35 -13.573 2.186 -6.682
266 HD21 LEU 35 HD21 LEU 35 -11.610 3.896 -4.112
267 HD22 LEU 35 HD22 LEU 35 -12.856 3.975 -2.867
268 HD23 LEU 35 HD23 LEU 35 -12.975 5.018 -4.304
269 HN1 NH2 36 H1 NHE 36 -17.217 3.546 -1.152
270 HN2 NH2 36 H2 NHE 36 -16.868 5.252 -0.938
Start of MODEL 18
1 H1 ARG 1 H1 ARG 1 9.067 12.530 -3.621
2 H2 ARG 1 H2 ARG 1 8.478 11.104 -3.075
3 H3 ARG 1 H3 ARG 1 9.337 11.157 -4.465
4 HA ARG 1 HA ARG 1 10.423 11.778 -1.789
5 HB2 ARG 1 HB2 ARG 1 10.734 9.274 -3.419
6 HB3 ARG 1 HB3 ARG 1 11.897 9.663 -2.470
7 HG2 ARG 1 HG2 ARG 1 9.161 9.047 -1.393
8 HG3 ARG 1 HG3 ARG 1 10.381 8.098 -1.366
9 HD2 ARG 1 HD2 ARG 1 11.594 10.161 -0.033
10 HD3 ARG 1 HD3 ARG 1 10.182 10.709 0.164
11 HE ARG 1 HE ARG 1 9.897 8.011 0.945
12 HH11 ARG 1 HH11 ARG 1 11.626 10.848 2.094
13 HH12 ARG 1 HH12 ARG 1 11.905 10.134 3.658
14 HH21 ARG 1 HH21 ARG 1 10.490 7.114 2.818
15 HH22 ARG 1 HH22 ARG 1 11.212 8.081 4.098
16 H ASP 2 H ASP 2 12.022 13.218 -1.879
17 HA ASP 2 HA ASP 2 13.375 13.945 -4.309
18 HB2 ASP 2 HB2 ASP 2 13.029 15.446 -2.282
19 HB3 ASP 2 HB3 ASP 2 13.928 14.622 -1.407
20 HA PRO 3 HA PRO 3 17.227 11.608 -2.873
21 HB2 PRO 3 HB2 PRO 3 17.454 10.077 -0.712
22 HB3 PRO 3 HB3 PRO 3 17.454 11.588 -0.585
23 HG2 PRO 3 HG2 PRO 3 15.010 10.042 0.133
24 HG3 PRO 3 HG3 PRO 3 15.612 11.160 0.857
25 HD2 PRO 3 HD2 PRO 3 13.704 12.018 -0.866
26 HD3 PRO 3 HD3 PRO 3 14.902 12.911 -0.510
27 H LEU 4 H LEU 4 14.390 9.520 -2.307
28 HA LEU 4 HA LEU 4 13.857 7.406 -2.863
29 HB2 LEU 4 HB2 LEU 4 13.971 8.971 -5.185
30 HB3 LEU 4 HB3 LEU 4 14.757 7.796 -5.689
31 HG LEU 4 HG LEU 4 12.017 7.422 -4.383
32 HD11 LEU 4 HD11 LEU 4 12.787 7.466 -7.327
33 HD12 LEU 4 HD12 LEU 4 11.898 8.739 -6.460
34 HD13 LEU 4 HD13 LEU 4 11.166 7.141 -6.670
35 HD21 LEU 4 HD21 LEU 4 13.637 5.457 -6.052
36 HD22 LEU 4 HD22 LEU 4 11.973 5.210 -5.476
37 HD23 LEU 4 HD23 LEU 4 13.300 5.320 -4.316
38 H LEU 5 H LEU 5 16.492 7.467 -1.735
39 HA LEU 5 HA LEU 5 18.195 5.618 -3.216
40 HB2 LEU 5 HB2 LEU 5 18.512 6.529 -0.376
41 HB3 LEU 5 HB3 LEU 5 19.584 5.704 -1.133
42 HG LEU 5 HG LEU 5 18.729 8.471 -2.061
43 HD11 LEU 5 HD11 LEU 5 19.963 8.476 0.070
44 HD12 LEU 5 HD12 LEU 5 20.925 9.176 -1.243
45 HD13 LEU 5 HD13 LEU 5 21.266 7.524 -0.681
46 HD21 LEU 5 HD21 LEU 5 19.528 7.194 -3.987
47 HD22 LEU 5 HD22 LEU 5 20.955 6.648 -3.065
48 HD23 LEU 5 HD23 LEU 5 20.758 8.361 -3.501
49 H ASP 6 H ASP 6 15.705 5.164 -0.806
50 HA ASP 6 HA ASP 6 16.031 2.220 -1.091
51 HB2 ASP 6 HB2 ASP 6 17.108 3.285 1.128
52 HB3 ASP 6 HB3 ASP 6 15.705 3.538 1.630
53 H ALA 7 H ALA 7 13.912 4.780 -1.262
54 HA ALA 7 HA ALA 7 11.583 3.963 0.073
55 HB1 ALA 7 HB1 ALA 7 11.948 6.190 -0.881
56 HB2 ALA 7 HB2 ALA 7 11.824 5.518 -2.526
57 HB3 ALA 7 HB3 ALA 7 10.423 5.479 -1.440
58 H NLE 8 H NLE 8 12.777 2.907 -3.109
59 HA NLE 8 HA NLE 8 10.484 1.617 -4.048
60 HB2 NLE 8 HB2 NLE 8 11.791 0.584 -5.659
61 HB3 NLE 8 HB3 NLE 8 12.559 2.125 -5.361
62 HG2 NLE 8 HG2 NLE 8 13.487 -0.611 -4.357
63 HG3 NLE 8 HG3 NLE 8 14.159 0.275 -5.707
64 HD2 NLE 8 HD2 NLE 8 14.326 1.129 -2.789
65 HD3 NLE 8 HD3 NLE 8 15.601 0.382 -3.741
66 HE1 NLE 8 HE1 NLE 8 16.013 2.764 -3.643
67 HE2 NLE 8 HE2 NLE 8 15.571 2.340 -5.305
68 HE3 NLE 8 HE3 NLE 8 14.388 3.133 -4.240
69 H ARG 9 H ARG 9 12.485 0.550 -1.433
70 HA ARG 9 HA ARG 9 11.170 -2.155 -1.398
71 HB2 ARG 9 HB2 ARG 9 13.256 -1.240 0.548
72 HB3 ARG 9 HB3 ARG 9 12.670 -2.673 0.446
73 HG2 ARG 9 HG2 ARG 9 13.686 -2.670 -2.033
74 HG3 ARG 9 HG3 ARG 9 14.407 -1.378 -1.691
75 HD2 ARG 9 HD2 ARG 9 15.022 -3.951 -0.239
76 HD3 ARG 9 HD3 ARG 9 15.954 -3.182 -1.186
77 HE ARG 9 HE ARG 9 15.918 -1.213 0.472
78 HH11 ARG 9 HH11 ARG 9 15.533 -4.503 1.651
79 HH12 ARG 9 HH12 ARG 9 15.864 -4.017 3.292
80 HH21 ARG 9 HH21 ARG 9 16.159 -0.663 2.507
81 HH22 ARG 9 HH22 ARG 9 16.270 -1.881 3.767
82 H ARG 10 H ARG 10 11.904 0.414 0.960
83 HA ARG 10 HA ARG 10 10.059 -0.579 2.883
84 HB2 ARG 10 HB2 ARG 10 11.055 1.096 4.249
85 HB3 ARG 10 HB3 ARG 10 12.185 0.618 3.331
86 HG2 ARG 10 HG2 ARG 10 11.328 2.728 1.781
87 HG3 ARG 10 HG3 ARG 10 10.674 3.230 3.057
88 HD2 ARG 10 HD2 ARG 10 13.662 2.819 2.866
89 HD3 ARG 10 HD3 ARG 10 12.927 4.180 2.862
90 HE ARG 10 HE ARG 10 12.128 3.765 5.191
91 HH11 ARG 10 HH11 ARG 10 14.934 1.842 4.136
92 HH12 ARG 10 HH12 ARG 10 15.476 1.682 5.783
93 HH21 ARG 10 HH21 ARG 10 12.920 3.451 7.215
94 HH22 ARG 10 HH22 ARG 10 14.379 2.538 7.457
95 H GLU 11 H GLU 11 9.432 1.653 0.341
96 HA GLU 11 HA GLU 11 6.675 2.180 1.428
97 HB2 GLU 11 HB2 GLU 11 8.261 3.990 -0.379
98 HB3 GLU 11 HB3 GLU 11 6.774 4.213 -0.094
99 HG2 GLU 11 HG2 GLU 11 7.124 4.735 2.251
100 HG3 GLU 11 HG3 GLU 11 8.374 3.892 2.427
101 H GLY 12 H GLY 12 8.620 1.336 -1.463
102 HA2 GLY 12 HA2 GLY 12 6.541 0.974 -3.332
103 HA3 GLY 12 HA3 GLY 12 8.067 0.085 -3.310
104 H ALA 13 H ALA 13 7.773 -1.420 -0.893
105 HA ALA 13 HA ALA 13 5.939 -3.502 -1.691
106 HB1 ALA 13 HB1 ALA 13 8.042 -3.930 -0.469
107 HB2 ALA 13 HB2 ALA 13 7.392 -3.075 0.951
108 HB3 ALA 13 HB3 ALA 13 6.635 -4.581 0.392
109 H NLE 14 H NLE 14 5.744 -0.930 0.769
110 HA NLE 14 HA NLE 14 3.299 -1.721 1.990
111 HB2 NLE 14 HB2 NLE 14 4.989 -0.029 2.802
112 HB3 NLE 14 HB3 NLE 14 4.335 1.121 1.628
113 HG2 NLE 14 HG2 NLE 14 2.076 0.852 2.713
114 HG3 NLE 14 HG3 NLE 14 2.820 -0.195 3.928
115 HD2 NLE 14 HD2 NLE 14 3.500 2.739 3.409
116 HD3 NLE 14 HD3 NLE 14 2.505 2.120 4.729
117 HE1 NLE 14 HE1 NLE 14 5.489 1.632 4.339
118 HE2 NLE 14 HE2 NLE 14 4.711 2.611 5.590
119 HE3 NLE 14 HE3 NLE 14 4.495 0.849 5.594
120 H ASP 15 H ASP 15 3.949 0.325 -0.865
121 HA ASP 15 HA ASP 15 1.283 1.085 -1.459
122 HB2 ASP 15 HB2 ASP 15 3.551 1.940 -2.456
123 HB3 ASP 15 HB3 ASP 15 3.627 0.725 -3.354
124 H PHE 16 H PHE 16 2.750 -2.069 -1.936
125 HA PHE 16 HA PHE 16 0.348 -2.848 -3.524
126 HB2 PHE 16 HB2 PHE 16 1.563 -4.515 -4.601
127 HB3 PHE 16 HB3 PHE 16 2.290 -3.154 -4.840
128 HD1 PHE 16 HD1 PHE 16 2.526 -6.006 -2.333
129 HD2 PHE 16 HD2 PHE 16 4.607 -3.235 -4.907
130 HE1 PHE 16 HE1 PHE 16 4.672 -7.119 -1.803
131 HE2 PHE 16 HE2 PHE 16 6.744 -4.390 -4.414
132 HZ PHE 16 HZ PHE 16 6.784 -6.329 -2.854
133 H TRP 17 H TRP 17 1.849 -3.351 -0.428
134 HA TRP 17 HA TRP 17 0.073 -5.555 0.307
135 HB2 TRP 17 HB2 TRP 17 2.017 -4.785 1.756
136 HB3 TRP 17 HB3 TRP 17 1.425 -3.378 1.936
137 HD1 TRP 17 HD1 TRP 17 0.071 -2.941 4.040
138 HE1 TRP 17 HE1 TRP 17 -1.209 -4.330 5.780
139 HE3 TRP 17 HE3 TRP 17 0.466 -7.560 1.846
140 HZ2 TRP 17 HZ2 TRP 17 -1.962 -7.085 6.174
141 HZ3 TRP 17 HZ3 TRP 17 -0.548 -9.553 2.933
142 HH2 TRP 17 HH2 TRP 17 -1.738 -9.335 5.099
143 H SER 18 H SER 18 -0.143 -1.980 0.699
144 HA SER 18 HA SER 18 -2.807 -1.956 1.705
145 HB2 SER 18 HB2 SER 18 -2.599 0.498 1.358
146 HB3 SER 18 HB3 SER 18 -1.337 -0.074 2.036
147 HG SER 18 HG SER 18 -0.166 0.071 0.197
148 H ALA 19 H ALA 19 -1.759 -2.342 -1.597
149 HA ALA 19 HA ALA 19 -4.161 -1.597 -2.948
150 HB1 ALA 19 HB1 ALA 19 -1.976 -1.986 -4.049
151 HB2 ALA 19 HB2 ALA 19 -2.099 -3.724 -3.671
152 HB3 ALA 19 HB3 ALA 19 -3.262 -2.967 -4.772
153 H GLY 20 H GLY 20 -3.571 -4.309 -0.856
154 HA2 GLY 20 HA2 GLY 20 -6.274 -5.439 -1.527
155 HA3 GLY 20 HA3 GLY 20 -4.871 -6.473 -1.265
156 H ABA 21 H ABU 21 -3.953 -4.600 0.936
157 HA ABA 21 HA ABU 21 -3.866 -4.679 3.175
158 HB3 ABA 21 HB3 ABU 21 -6.662 -3.552 2.880
159 HB2 ABA 21 HB2 ABU 21 -5.180 -2.678 2.483
160 HG1 ABA 21 HG1 ABU 21 -5.943 -2.067 4.722
161 HG3 ABA 21 HG3 ABU 21 -4.390 -2.923 4.822
162 HG2 ABA 21 HG2 ABU 21 -5.905 -3.763 5.240
163 H TYR 22 H TYR 22 -3.639 -6.760 3.797
164 HA TYR 22 HA TYR 22 -4.016 -8.732 4.796
165 HB2 TYR 22 HB2 TYR 22 -6.886 -8.222 5.346
166 HB3 TYR 22 HB3 TYR 22 -5.987 -9.326 6.008
167 HD1 TYR 22 HD1 TYR 22 -3.882 -8.624 7.403
168 HD2 TYR 22 HD2 TYR 22 -7.182 -6.017 6.432
169 HE1 TYR 22 HE1 TYR 22 -3.340 -7.193 9.374
170 HE2 TYR 22 HE2 TYR 22 -6.645 -4.599 8.405
171 HH TYR 22 HH TYR 22 -5.279 -4.299 10.219
172 H ALA 23 H ALA 23 -4.522 -8.147 1.883
173 HA ALA 23 HA ALA 23 -5.412 -9.007 -0.019
174 HB1 ALA 23 HB1 ALA 23 -5.082 -11.402 -0.345
175 HB2 ALA 23 HB2 ALA 23 -3.721 -10.700 0.553
176 HB3 ALA 23 HB3 ALA 23 -4.955 -11.652 1.408
177 H ARG 24 H ARG 24 -7.302 -7.956 1.473
178 HA ARG 24 HA ARG 24 -9.700 -9.749 1.569
179 HB2 ARG 24 HB2 ARG 24 -8.667 -9.108 3.719
180 HB3 ARG 24 HB3 ARG 24 -8.616 -7.562 3.371
181 HG2 ARG 24 HG2 ARG 24 -10.430 -7.850 4.917
182 HG3 ARG 24 HG3 ARG 24 -10.943 -7.221 3.632
183 HD2 ARG 24 HD2 ARG 24 -11.702 -9.707 2.937
184 HD3 ARG 24 HD3 ARG 24 -11.232 -10.178 4.320
185 HE ARG 24 HE ARG 24 -13.114 -9.280 5.335
186 HH11 ARG 24 HH11 ARG 24 -12.717 -7.595 2.274
187 HH12 ARG 24 HH12 ARG 24 -14.258 -6.782 2.415
188 HH21 ARG 24 HH21 ARG 24 -15.059 -8.146 5.461
189 HH22 ARG 24 HH22 ARG 24 -15.497 -7.062 4.164
190 H GLY 25 H GLY 25 -8.557 -7.536 -0.419
191 HA2 GLY 25 HA2 GLY 25 -9.655 -6.384 -2.116
192 HA3 GLY 25 HA3 GLY 25 -11.202 -6.634 -1.304
193 H VAL 26 H VAL 26 -8.552 -5.222 0.486
194 HA VAL 26 HA VAL 26 -8.534 -3.358 1.768
195 HB VAL 26 HB VAL 26 -7.092 -2.846 0.045
196 HG11 VAL 26 HG11 VAL 26 -9.333 -1.539 -1.524
197 HG12 VAL 26 HG12 VAL 26 -7.600 -1.426 -1.886
198 HG13 VAL 26 HG13 VAL 26 -8.414 -2.989 -1.977
199 HG21 VAL 26 HG21 VAL 26 -8.634 -0.314 0.666
200 HG22 VAL 26 HG22 VAL 26 -7.523 -1.136 1.790
201 HG23 VAL 26 HG23 VAL 26 -6.919 -0.469 0.269
202 HA PRO 27 HA PRO 27 -13.019 -3.397 2.165
203 HB2 PRO 27 HB2 PRO 27 -12.543 -2.305 4.888
204 HB3 PRO 27 HB3 PRO 27 -13.536 -3.293 4.473
205 HG2 PRO 27 HG2 PRO 27 -11.354 -4.599 5.199
206 HG3 PRO 27 HG3 PRO 27 -12.065 -5.107 3.966
207 HD2 PRO 27 HD2 PRO 27 -9.531 -3.593 3.666
208 HD3 PRO 27 HD3 PRO 27 -10.056 -4.748 2.865
209 H LEU 28 H LEU 28 -11.363 -0.329 3.084
210 HA LEU 28 HA LEU 28 -13.680 1.303 2.843
211 HB2 LEU 28 HB2 LEU 28 -12.167 3.121 3.054
212 HB3 LEU 28 HB3 LEU 28 -11.911 2.048 4.185
213 HG LEU 28 HG LEU 28 -9.885 3.133 3.375
214 HD11 LEU 28 HD11 LEU 28 -8.416 1.273 3.367
215 HD12 LEU 28 HD12 LEU 28 -9.667 0.166 2.798
216 HD13 LEU 28 HD13 LEU 28 -9.768 0.874 4.434
217 HD21 LEU 28 HD21 LEU 28 -10.438 3.280 0.959
218 HD22 LEU 28 HD22 LEU 28 -10.130 1.535 0.816
219 HD23 LEU 28 HD23 LEU 28 -8.821 2.629 1.288
220 H SER 29 H SER 29 -12.055 -0.180 0.294
221 HA SER 29 HA SER 29 -13.428 1.585 -1.691
222 HB2 SER 29 HB2 SER 29 -10.771 0.249 -2.224
223 HB3 SER 29 HB3 SER 29 -11.619 0.990 -3.287
224 HG SER 29 HG SER 29 -10.049 2.344 -2.307
225 H GLU 30 H GLU 30 -13.879 -1.271 -0.261
226 HA GLU 30 HA GLU 30 -14.049 -3.124 -2.479
227 HB2 GLU 30 HB2 GLU 30 -14.120 -3.361 0.288
228 HB3 GLU 30 HB3 GLU 30 -15.632 -3.458 0.031
229 HG2 GLU 30 HG2 GLU 30 -14.918 -5.353 -1.760
230 HG3 GLU 30 HG3 GLU 30 -13.538 -5.327 -1.119
231 HA PRO 31 HA PRO 31 -18.080 -1.888 -4.094
232 HB2 PRO 31 HB2 PRO 31 -18.737 -4.677 -4.792
233 HB3 PRO 31 HB3 PRO 31 -18.843 -3.475 -5.621
234 HG2 PRO 31 HG2 PRO 31 -16.526 -4.658 -6.139
235 HG3 PRO 31 HG3 PRO 31 -16.532 -3.147 -6.091
236 HD2 PRO 31 HD2 PRO 31 -15.408 -4.685 -3.794
237 HD3 PRO 31 HD3 PRO 31 -14.896 -3.437 -4.451
238 HA PRO 32 HA PRO 32 -20.952 -4.261 -0.925
239 HB2 PRO 32 HB2 PRO 32 -19.168 -5.211 1.220
240 HB3 PRO 32 HB3 PRO 32 -20.395 -5.822 0.730
241 HG2 PRO 32 HG2 PRO 32 -18.358 -7.028 -0.455
242 HG3 PRO 32 HG3 PRO 32 -19.542 -6.725 -1.331
243 HD2 PRO 32 HD2 PRO 32 -17.142 -4.912 -1.449
244 HD3 PRO 32 HD3 PRO 32 -17.872 -5.549 -2.560
245 H GLN 33 H GLN 33 -18.195 -2.203 -0.222
246 HA GLN 33 HA GLN 33 -19.787 -0.583 1.728
247 HB2 GLN 33 HB2 GLN 33 -16.828 -0.544 1.227
248 HB3 GLN 33 HB3 GLN 33 -17.538 0.568 2.076
249 HG2 GLN 33 HG2 GLN 33 -17.024 -0.854 3.833
250 HG3 GLN 33 HG3 GLN 33 -18.506 -1.127 3.678
251 HE21 GLN 33 HE21 GLN 33 -15.449 -2.438 2.300
252 HE22 GLN 33 HE22 GLN 33 -15.955 -4.126 2.311
253 H ALA 34 H ALA 34 -19.710 -0.786 -1.447
254 HA ALA 34 HA ALA 34 -19.840 0.522 -3.255
255 HB1 ALA 34 HB1 ALA 34 -21.962 0.887 -2.064
256 HB2 ALA 34 HB2 ALA 34 -21.284 2.342 -1.297
257 HB3 ALA 34 HB3 ALA 34 -21.514 2.282 -3.059
258 H LEU 35 H LEU 35 -17.299 0.874 -2.033
259 HA LEU 35 HA LEU 35 -15.463 2.158 -1.956
260 HB2 LEU 35 HB2 LEU 35 -16.507 2.491 -4.527
261 HB3 LEU 35 HB3 LEU 35 -16.346 3.956 -4.182
262 HG LEU 35 HG LEU 35 -14.051 1.954 -3.973
263 HD11 LEU 35 HD11 LEU 35 -13.203 3.040 -6.005
264 HD12 LEU 35 HD12 LEU 35 -14.623 4.110 -6.042
265 HD13 LEU 35 HD13 LEU 35 -14.813 2.358 -6.277
266 HD21 LEU 35 HD21 LEU 35 -12.539 3.897 -3.857
267 HD22 LEU 35 HD22 LEU 35 -13.602 3.835 -2.452
268 HD23 LEU 35 HD23 LEU 35 -13.938 4.988 -3.763
269 HN1 NH2 36 H1 NHE 36 -17.641 3.052 -0.176
270 HN2 NH2 36 H2 NHE 36 -17.282 4.734 0.169