Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
597639 | 2n6b RC | 25758 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 2 HT1 ALA 2 -12.126 6.854 3.879
2 H2 ALA 2 HT2 ALA 2 -12.061 7.440 5.491
3 H3 ALA 2 HT3 ALA 2 -10.995 6.193 4.985
4 HA ALA 2 HA ALA 2 -11.032 8.847 3.742
5 HB1 ALA 2 HB1 ALA 2 -10.582 8.712 6.325
6 HB2 ALA 2 HB2 ALA 2 -9.569 9.708 5.280
7 HB3 ALA 2 HB3 ALA 2 -9.006 8.120 5.800
8 H CYS 3 HN CYS 3 -9.019 6.082 4.764
9 HA CYS 3 HA CYS 3 -7.565 6.323 2.215
10 HB2 CYS 3 HB2 CYS 3 -5.801 4.932 3.454
11 HB3 CYS 3 HB1 CYS 3 -5.985 6.614 3.934
12 H LYS 4 HN LYS 4 -8.349 4.928 0.772
13 HA LYS 4 HA LYS 4 -9.283 2.302 1.679
14 HB2 LYS 4 HB2 LYS 4 -9.858 4.024 -0.681
15 HB3 LYS 4 HB1 LYS 4 -9.964 2.283 -0.900
16 HG2 LYS 4 HG2 LYS 4 -11.355 2.700 1.436
17 HG3 LYS 4 HG1 LYS 4 -11.771 4.109 0.458
18 HD2 LYS 4 HD2 LYS 4 -11.813 1.535 -0.968
19 HD3 LYS 4 HD1 LYS 4 -13.027 1.711 0.301
20 HE2 LYS 4 HE2 LYS 4 -13.881 3.710 -0.713
21 HE3 LYS 4 HE1 LYS 4 -12.569 3.729 -1.890
22 HZ1 LYS 4 HZ1 LYS 4 -14.969 2.709 -2.388
23 HZ2 LYS 4 HZ2 LYS 4 -14.187 1.317 -1.829
24 HZ3 LYS 4 HZ3 LYS 4 -13.558 2.167 -3.149
25 H ASP 5 HN ASP 5 -8.954 0.626 -0.292
26 HA ASP 5 HA ASP 5 -6.090 0.666 -0.905
27 HB2 ASP 5 HB2 ASP 5 -6.063 -1.770 -0.595
28 HB3 ASP 5 HB1 ASP 5 -6.565 -0.938 0.872
29 H TYR 6 HN TYR 6 -5.465 0.167 -2.887
30 HA TYR 6 HA TYR 6 -7.493 -0.136 -4.943
31 HB2 TYR 6 HB2 TYR 6 -5.004 1.135 -4.821
32 HB3 TYR 6 HB1 TYR 6 -4.752 -0.227 -5.905
33 HD1 TYR 6 HD2 TYR 6 -7.134 2.585 -5.302
34 HD2 TYR 6 HD1 TYR 6 -5.289 0.015 -8.147
35 HE1 TYR 6 HE2 TYR 6 -8.182 3.860 -7.125
36 HE2 TYR 6 HE1 TYR 6 -6.331 1.283 -9.977
37 HH TYR 6 HH TYR 6 -7.326 4.082 -9.944
38 H LEU 7 HN LEU 7 -5.619 -2.168 -3.044
39 HA LEU 7 HA LEU 7 -6.212 -4.436 -4.773
40 HB2 LEU 7 HB2 LEU 7 -3.478 -3.530 -4.004
41 HB3 LEU 7 HB1 LEU 7 -3.780 -5.233 -4.101
42 HG LEU 7 HG LEU 7 -4.624 -3.603 -6.420
43 HD11 LEU 7 HD11 LEU 7 -1.781 -4.085 -5.616
44 HD12 LEU 7 HD12 LEU 7 -2.539 -2.589 -6.163
45 HD13 LEU 7 HD13 LEU 7 -2.247 -3.899 -7.307
46 HD21 LEU 7 HD21 LEU 7 -4.670 -5.576 -7.445
47 HD22 LEU 7 HD22 LEU 7 -4.436 -6.303 -5.859
48 HD23 LEU 7 HD23 LEU 7 -3.047 -5.987 -6.894
49 HA PRO 8 HA PRO 8 -6.757 -6.440 -0.871
50 HB2 PRO 8 HB2 PRO 8 -6.054 -8.970 -1.226
51 HB3 PRO 8 HB1 PRO 8 -7.367 -8.255 -2.172
52 HG2 PRO 8 HG2 PRO 8 -4.549 -8.799 -2.937
53 HG3 PRO 8 HG1 PRO 8 -6.030 -8.991 -3.890
54 HD2 PRO 8 HD2 PRO 8 -4.280 -6.834 -4.018
55 HD3 PRO 8 HD1 PRO 8 -5.930 -6.812 -4.633
56 H LYS 9 HN LYS 9 -5.803 -7.638 0.894
57 HA LYS 9 HA LYS 9 -3.505 -6.460 1.880
58 HB2 LYS 9 HB2 LYS 9 -4.526 -9.179 2.697
59 HB3 LYS 9 HB1 LYS 9 -3.587 -8.059 3.673
60 HG2 LYS 9 HG2 LYS 9 -5.395 -6.925 4.310
61 HG3 LYS 9 HG1 LYS 9 -6.058 -6.891 2.674
62 HD2 LYS 9 HD2 LYS 9 -7.630 -8.236 3.586
63 HD3 LYS 9 HD1 LYS 9 -6.427 -9.490 3.274
64 HE2 LYS 9 HE2 LYS 9 -5.623 -9.349 5.538
65 HE3 LYS 9 HE1 LYS 9 -6.673 -7.971 5.867
66 HZ1 LYS 9 HZ1 LYS 9 -7.333 -10.430 6.516
67 HZ2 LYS 9 HZ2 LYS 9 -7.945 -10.429 4.939
68 HZ3 LYS 9 HZ3 LYS 9 -8.492 -9.284 6.058
69 H SER 10 HN SER 10 -3.778 -9.122 -0.291
70 HA SER 10 HA SER 10 -1.204 -10.249 0.265
71 HB2 SER 10 HB2 SER 10 -3.387 -10.737 -1.690
72 HB3 SER 10 HB1 SER 10 -1.769 -11.267 -2.149
73 HG SER 10 HG SER 10 -2.579 -12.953 -1.044
74 H GLU 11 HN GLU 11 -2.336 -7.623 -1.701
75 HA GLU 11 HA GLU 11 0.125 -7.645 -3.291
76 HB2 GLU 11 HB2 GLU 11 -2.582 -6.587 -3.587
77 HB3 GLU 11 HB1 GLU 11 -1.343 -5.449 -4.080
78 HG2 GLU 11 HG2 GLU 11 -0.953 -8.158 -5.108
79 HG3 GLU 11 HG1 GLU 11 -2.452 -7.392 -5.642
80 H CYS 12 HN CYS 12 -1.637 -5.682 -0.980
81 HA CYS 12 HA CYS 12 0.601 -3.792 -0.911
82 HB2 CYS 12 HB2 CYS 12 -2.300 -3.614 -0.355
83 HB3 CYS 12 HB1 CYS 12 -1.249 -2.617 0.654
84 H THR 13 HN THR 13 2.094 -4.523 0.413
85 HA THR 13 HA THR 13 1.265 -5.611 3.016
86 HB THR 13 HB THR 13 3.705 -6.479 2.997
87 HG1 THR 13 HG1 THR 13 3.408 -6.046 0.219
88 HG21 THR 13 HG21 THR 13 1.978 -7.609 0.803
89 HG22 THR 13 HG22 THR 13 1.650 -7.876 2.519
90 HG23 THR 13 HG23 THR 13 3.161 -8.448 1.812
91 H GLN 14 HN GLN 14 2.169 -4.812 4.914
92 HA GLN 14 HA GLN 14 2.693 -2.123 5.135
93 HB2 GLN 14 HB2 GLN 14 3.949 -4.213 6.919
94 HB3 GLN 14 HB1 GLN 14 3.531 -2.559 7.344
95 HG2 GLN 14 HG2 GLN 14 1.667 -4.854 6.809
96 HG3 GLN 14 HG1 GLN 14 1.897 -3.967 8.315
97 HE21 GLN 14 HE21 GLN 14 0.245 -4.102 5.315
98 HE22 GLN 14 HE22 GLN 14 -0.702 -2.672 5.516
99 H PHE 15 HN PHE 15 4.804 -4.705 4.229
100 HA PHE 15 HA PHE 15 7.303 -3.467 4.514
101 HB2 PHE 15 HB2 PHE 15 6.174 -5.804 3.162
102 HB3 PHE 15 HB1 PHE 15 7.548 -5.121 2.313
103 HD1 PHE 15 HD1 PHE 15 9.710 -4.829 3.569
104 HD2 PHE 15 HD2 PHE 15 6.451 -7.102 5.091
105 HE1 PHE 15 HE1 PHE 15 11.236 -5.958 5.129
106 HE2 PHE 15 HE2 PHE 15 7.972 -8.238 6.659
107 HZ PHE 15 HZ PHE 15 10.369 -7.666 6.680
108 H ARG 16 HN ARG 16 4.958 -3.495 1.876
109 HA ARG 16 HA ARG 16 6.411 -2.227 -0.107
110 HB2 ARG 16 HB2 ARG 16 3.467 -1.935 0.510
111 HB3 ARG 16 HB1 ARG 16 4.229 -1.503 -1.005
112 HG2 ARG 16 HG2 ARG 16 4.243 -4.265 0.140
113 HG3 ARG 16 HG1 ARG 16 3.052 -3.678 -1.022
114 HD2 ARG 16 HD2 ARG 16 5.009 -3.103 -2.523
115 HD3 ARG 16 HD1 ARG 16 6.019 -4.018 -1.405
116 HE ARG 16 HE ARG 16 3.892 -5.655 -2.127
117 HH11 ARG 16 HH11 ARG 16 6.625 -4.119 -3.659
118 HH12 ARG 16 HH12 ARG 16 6.790 -5.341 -4.874
119 HH21 ARG 16 HH21 ARG 16 4.107 -7.265 -3.723
120 HH22 ARG 16 HH22 ARG 16 5.360 -7.128 -4.911
121 H CYS 17 HN CYS 17 4.421 -0.711 2.430
122 HA CYS 17 HA CYS 17 5.045 1.922 1.581
123 HB2 CYS 17 HB2 CYS 17 3.762 0.748 4.001
124 HB3 CYS 17 HB1 CYS 17 4.272 2.430 4.027
125 H ARG 18 HN ARG 18 6.698 -0.379 3.480
126 HA ARG 18 HA ARG 18 8.292 1.316 5.067
127 HB2 ARG 18 HB2 ARG 18 8.049 -1.435 4.673
128 HB3 ARG 18 HB1 ARG 18 9.707 -1.053 4.175
129 HG2 ARG 18 HG2 ARG 18 8.587 -0.099 6.801
130 HG3 ARG 18 HG1 ARG 18 9.281 -1.711 6.620
131 HD2 ARG 18 HD2 ARG 18 11.021 0.242 5.439
132 HD3 ARG 18 HD1 ARG 18 10.632 0.711 7.093
133 HE ARG 18 HE ARG 18 12.224 -1.533 6.251
134 HH11 ARG 18 HH11 ARG 18 10.275 -0.202 8.822
135 HH12 ARG 18 HH12 ARG 18 11.041 -1.142 10.058
136 HH21 ARG 18 HH21 ARG 18 13.233 -2.770 7.875
137 HH22 ARG 18 HH22 ARG 18 12.721 -2.600 9.521
138 H THR 19 HN THR 19 8.884 -0.286 2.043
139 HA THR 19 HA THR 19 11.213 1.430 1.598
140 HB THR 19 HB THR 19 11.813 -0.800 1.989
141 HG1 THR 19 HG1 THR 19 12.810 0.160 0.108
142 HG21 THR 19 HG21 THR 19 9.722 -1.895 1.727
143 HG22 THR 19 HG22 THR 19 10.938 -2.697 0.723
144 HG23 THR 19 HG23 THR 19 9.746 -1.627 -0.019
145 H SER 20 HN SER 20 8.267 0.217 0.108
146 HA SER 20 HA SER 20 8.953 1.586 -2.398
147 HB2 SER 20 HB2 SER 20 6.535 -0.158 -1.979
148 HB3 SER 20 HB1 SER 20 7.355 0.241 -3.489
149 HG SER 20 HG SER 20 7.864 -1.755 -1.712
150 H MET 21 HN MET 21 8.179 3.542 -2.784
151 HA MET 21 HA MET 21 6.156 4.714 -1.105
152 HB2 MET 21 HB2 MET 21 8.021 5.650 -3.205
153 HB3 MET 21 HB1 MET 21 6.534 6.569 -3.028
154 HG2 MET 21 HG2 MET 21 7.099 7.366 -0.981
155 HG3 MET 21 HG1 MET 21 8.050 5.943 -0.566
156 HE1 MET 21 HE1 MET 21 10.109 5.290 -1.912
157 HE2 MET 21 HE2 MET 21 11.374 6.443 -2.335
158 HE3 MET 21 HE3 MET 21 10.097 6.072 -3.493
159 H LYS 22 HN LYS 22 6.361 3.558 -4.420
160 HA LYS 22 HA LYS 22 4.062 4.610 -5.514
161 HB2 LYS 22 HB2 LYS 22 5.849 3.235 -6.653
162 HB3 LYS 22 HB1 LYS 22 5.043 1.805 -6.025
163 HG2 LYS 22 HG2 LYS 22 4.174 1.956 -8.146
164 HG3 LYS 22 HG1 LYS 22 2.946 2.789 -7.193
165 HD2 LYS 22 HD2 LYS 22 3.375 4.780 -8.155
166 HD3 LYS 22 HD1 LYS 22 5.118 4.506 -8.174
167 HE2 LYS 22 HE2 LYS 22 4.184 2.681 -10.008
168 HE3 LYS 22 HE1 LYS 22 3.125 4.068 -10.260
169 HZ1 LYS 22 HZ1 LYS 22 4.875 4.546 -11.640
170 HZ2 LYS 22 HZ2 LYS 22 6.036 3.869 -10.613
171 HZ3 LYS 22 HZ3 LYS 22 5.351 5.369 -10.240
172 H TYR 23 HN TYR 23 4.334 1.444 -3.898
173 HA TYR 23 HA TYR 23 1.669 0.692 -4.095
174 HB2 TYR 23 HB2 TYR 23 3.860 -0.009 -2.183
175 HB3 TYR 23 HB1 TYR 23 2.239 -0.652 -1.948
176 HD1 TYR 23 HD2 TYR 23 4.348 -0.114 -4.975
177 HD2 TYR 23 HD1 TYR 23 2.181 -2.860 -2.565
178 HE1 TYR 23 HE2 TYR 23 4.844 -1.910 -6.587
179 HE2 TYR 23 HE1 TYR 23 2.668 -4.663 -4.157
180 HH TYR 23 HH TYR 23 3.248 -4.679 -6.802
181 H ARG 24 HN ARG 24 3.175 2.889 -1.888
182 HA ARG 24 HA ARG 24 1.155 2.818 0.119
183 HB2 ARG 24 HB2 ARG 24 2.790 5.268 -0.232
184 HB3 ARG 24 HB1 ARG 24 2.387 4.392 1.234
185 HG2 ARG 24 HG2 ARG 24 3.974 2.602 0.446
186 HG3 ARG 24 HG1 ARG 24 4.492 3.733 -0.799
187 HD2 ARG 24 HD2 ARG 24 5.007 5.376 0.998
188 HD3 ARG 24 HD1 ARG 24 4.656 4.119 2.183
189 HE ARG 24 HE ARG 24 6.502 2.889 0.747
190 HH11 ARG 24 HH11 ARG 24 6.439 6.191 1.905
191 HH12 ARG 24 HH12 ARG 24 8.162 6.319 2.000
192 HH21 ARG 24 HH21 ARG 24 8.765 3.066 0.884
193 HH22 ARG 24 HH22 ARG 24 9.482 4.547 1.422
194 H LEU 25 HN LEU 25 1.953 5.419 -2.169
195 HA LEU 25 HA LEU 25 -0.678 6.579 -1.728
196 HB2 LEU 25 HB2 LEU 25 1.507 7.667 -3.475
197 HB3 LEU 25 HB1 LEU 25 0.185 8.542 -2.721
198 HG LEU 25 HG LEU 25 1.904 9.175 -1.348
199 HD11 LEU 25 HD11 LEU 25 1.379 8.380 0.687
200 HD12 LEU 25 HD12 LEU 25 1.678 6.703 0.232
201 HD13 LEU 25 HD13 LEU 25 0.147 7.472 -0.188
202 HD21 LEU 25 HD21 LEU 25 3.906 8.314 -1.748
203 HD22 LEU 25 HD22 LEU 25 3.199 6.861 -2.450
204 HD23 LEU 25 HD23 LEU 25 3.482 6.952 -0.711
205 H ASN 26 HN ASN 26 1.240 5.255 -4.366
206 HA ASN 26 HA ASN 26 -0.618 5.906 -6.403
207 HB2 ASN 26 HB2 ASN 26 1.941 5.259 -6.438
208 HB3 ASN 26 HB1 ASN 26 1.287 3.649 -6.739
209 HD21 ASN 26 HD21 ASN 26 1.115 6.993 -7.867
210 HD22 ASN 26 HD22 ASN 26 0.835 6.606 -9.527
211 H LEU 27 HN LEU 27 -0.134 2.958 -4.469
212 HA LEU 27 HA LEU 27 -2.373 1.741 -5.925
213 HB2 LEU 27 HB2 LEU 27 -0.051 0.661 -4.472
214 HB3 LEU 27 HB1 LEU 27 -1.543 -0.233 -4.270
215 HG LEU 27 HG LEU 27 -1.720 -0.340 -6.775
216 HD11 LEU 27 HD11 LEU 27 0.912 1.026 -6.503
217 HD12 LEU 27 HD12 LEU 27 -0.387 1.297 -7.665
218 HD13 LEU 27 HD13 LEU 27 0.661 -0.113 -7.826
219 HD21 LEU 27 HD21 LEU 27 0.793 -1.608 -5.721
220 HD22 LEU 27 HD22 LEU 27 -0.320 -2.230 -6.940
221 HD23 LEU 27 HD23 LEU 27 -0.820 -2.146 -5.251
222 H CYS 28 HN CYS 28 -1.781 0.565 -2.703
223 HA CYS 28 HA CYS 28 -4.433 1.555 -1.962
224 HB2 CYS 28 HB2 CYS 28 -2.957 -0.203 -0.099
225 HB3 CYS 28 HB1 CYS 28 -4.631 -0.276 -0.619
226 H LYS 29 HN LYS 29 -4.836 2.710 -0.115
227 HA LYS 29 HA LYS 29 -2.653 4.356 0.804
228 HB2 LYS 29 HB2 LYS 29 -5.569 4.373 1.591
229 HB3 LYS 29 HB1 LYS 29 -4.385 5.610 1.994
230 HG2 LYS 29 HG2 LYS 29 -4.243 5.358 -0.776
231 HG3 LYS 29 HG1 LYS 29 -5.964 5.279 -0.394
232 HD2 LYS 29 HD2 LYS 29 -5.625 7.556 -0.624
233 HD3 LYS 29 HD1 LYS 29 -5.454 7.334 1.118
234 HE2 LYS 29 HE2 LYS 29 -2.964 7.106 0.701
235 HE3 LYS 29 HE1 LYS 29 -3.282 7.681 -0.935
236 HZ1 LYS 29 HZ1 LYS 29 -3.791 9.766 -0.204
237 HZ2 LYS 29 HZ2 LYS 29 -2.655 9.332 0.972
238 HZ3 LYS 29 HZ3 LYS 29 -4.308 9.247 1.322
239 H LYS 30 HN LYS 30 -5.147 2.421 2.425
240 HA LYS 30 HA LYS 30 -3.653 2.391 4.881
241 HB2 LYS 30 HB2 LYS 30 -6.018 2.577 5.060
242 HB3 LYS 30 HB1 LYS 30 -6.269 1.160 4.049
243 HG2 LYS 30 HG2 LYS 30 -6.674 0.377 6.190
244 HG3 LYS 30 HG1 LYS 30 -5.008 -0.117 5.878
245 HD2 LYS 30 HD2 LYS 30 -4.690 0.803 7.924
246 HD3 LYS 30 HD1 LYS 30 -4.537 2.274 6.960
247 HE2 LYS 30 HE2 LYS 30 -6.002 2.781 8.758
248 HE3 LYS 30 HE1 LYS 30 -6.999 2.636 7.312
249 HZ1 LYS 30 HZ1 LYS 30 -6.700 0.674 9.512
250 HZ2 LYS 30 HZ2 LYS 30 -7.423 0.285 8.034
251 HZ3 LYS 30 HZ3 LYS 30 -8.106 1.477 9.020
252 H THR 31 HN THR 31 -4.850 -0.192 2.715
253 HA THR 31 HA THR 31 -3.847 -2.369 3.991
254 HB THR 31 HB THR 31 -3.829 -1.941 1.003
255 HG1 THR 31 HG1 THR 31 -5.806 -3.085 2.684
256 HG21 THR 31 HG21 THR 31 -4.143 -4.557 2.417
257 HG22 THR 31 HG22 THR 31 -2.565 -3.952 1.915
258 HG23 THR 31 HG23 THR 31 -3.821 -4.250 0.711
259 H CYS 32 HN CYS 32 -2.006 -0.074 2.111
260 HA CYS 32 HA CYS 32 0.380 -1.693 2.091
261 HB2 CYS 32 HB2 CYS 32 0.127 -0.167 0.274
262 HB3 CYS 32 HB1 CYS 32 -0.125 1.192 1.360
263 H GLY 33 HN GLY 33 -1.102 0.337 4.369
264 HA2 GLY 33 HA2 GLY 33 -0.407 0.562 6.600
265 HA3 GLY 33 HA1 GLY 33 1.213 0.081 6.120
266 H THR 34 HN THR 34 -0.975 2.696 5.096
267 HA THR 34 HA THR 34 0.832 4.692 6.167
268 HB THR 34 HB THR 34 1.809 4.237 3.960
269 HG1 THR 34 HG1 THR 34 1.840 6.363 3.279
270 HG21 THR 34 HG21 THR 34 -0.892 5.005 2.903
271 HG22 THR 34 HG22 THR 34 -0.033 3.481 2.659
272 HG23 THR 34 HG23 THR 34 0.580 4.968 1.932
273 H CYS 35 HN CYS 35 -2.180 3.866 4.573
274 HA CYS 35 HA CYS 35 -4.241 4.808 4.628
275 HB2 CYS 35 HB2 CYS 35 -3.759 4.877 7.088
276 HB3 CYS 35 HB1 CYS 35 -3.170 6.522 6.873
Start of MODEL 2
1 H1 ALA 2 HT1 ALA 2 -12.174 7.938 2.570
2 H2 ALA 2 HT2 ALA 2 -11.901 7.075 1.113
3 H3 ALA 2 HT3 ALA 2 -12.719 8.583 1.079
4 HA ALA 2 HA ALA 2 -10.669 9.158 0.394
5 HB1 ALA 2 HB1 ALA 2 -9.513 9.958 2.664
6 HB2 ALA 2 HB2 ALA 2 -11.120 9.582 3.286
7 HB3 ALA 2 HB3 ALA 2 -10.931 10.753 1.981
8 H CYS 3 HN CYS 3 -10.411 6.828 3.043
9 HA CYS 3 HA CYS 3 -7.743 6.082 2.043
10 HB2 CYS 3 HB2 CYS 3 -8.664 6.645 4.678
11 HB3 CYS 3 HB1 CYS 3 -8.252 4.935 4.610
12 H LYS 4 HN LYS 4 -7.755 4.296 0.860
13 HA LYS 4 HA LYS 4 -9.164 1.940 1.795
14 HB2 LYS 4 HB2 LYS 4 -9.802 3.274 -0.835
15 HB3 LYS 4 HB1 LYS 4 -10.174 1.587 -0.507
16 HG2 LYS 4 HG2 LYS 4 -11.206 3.927 1.082
17 HG3 LYS 4 HG1 LYS 4 -12.102 3.068 -0.172
18 HD2 LYS 4 HD2 LYS 4 -11.484 0.972 1.307
19 HD3 LYS 4 HD1 LYS 4 -11.355 2.194 2.575
20 HE2 LYS 4 HE2 LYS 4 -13.598 2.755 2.442
21 HE3 LYS 4 HE1 LYS 4 -13.761 2.128 0.802
22 HZ1 LYS 4 HZ1 LYS 4 -13.938 -0.025 1.548
23 HZ2 LYS 4 HZ2 LYS 4 -14.743 0.810 2.779
24 HZ3 LYS 4 HZ3 LYS 4 -13.153 0.286 3.015
25 H ASP 5 HN ASP 5 -8.834 0.156 -0.023
26 HA ASP 5 HA ASP 5 -5.978 0.218 -0.665
27 HB2 ASP 5 HB2 ASP 5 -6.044 -2.228 -0.501
28 HB3 ASP 5 HB1 ASP 5 -6.629 -1.479 0.979
29 H TYR 6 HN TYR 6 -5.436 0.263 -2.713
30 HA TYR 6 HA TYR 6 -7.385 0.032 -4.808
31 HB2 TYR 6 HB2 TYR 6 -5.305 1.586 -4.692
32 HB3 TYR 6 HB1 TYR 6 -4.416 0.181 -5.272
33 HD1 TYR 6 HD1 TYR 6 -7.356 2.325 -6.094
34 HD2 TYR 6 HD2 TYR 6 -4.292 -0.239 -7.558
35 HE1 TYR 6 HE1 TYR 6 -7.997 2.885 -8.401
36 HE2 TYR 6 HE2 TYR 6 -4.925 0.315 -9.869
37 HH TYR 6 HH TYR 6 -6.787 1.161 -11.116
38 H LEU 7 HN LEU 7 -5.756 -2.267 -3.096
39 HA LEU 7 HA LEU 7 -6.231 -4.289 -5.109
40 HB2 LEU 7 HB2 LEU 7 -3.493 -3.493 -4.223
41 HB3 LEU 7 HB1 LEU 7 -3.815 -5.164 -4.573
42 HG LEU 7 HG LEU 7 -4.652 -3.271 -6.667
43 HD11 LEU 7 HD11 LEU 7 -2.718 -2.120 -6.532
44 HD12 LEU 7 HD12 LEU 7 -2.082 -3.525 -7.389
45 HD13 LEU 7 HD13 LEU 7 -1.895 -3.399 -5.639
46 HD21 LEU 7 HD21 LEU 7 -4.006 -6.038 -6.366
47 HD22 LEU 7 HD22 LEU 7 -2.963 -5.327 -7.597
48 HD23 LEU 7 HD23 LEU 7 -4.716 -5.207 -7.750
49 HA PRO 8 HA PRO 8 -6.905 -7.102 -1.793
50 HB2 PRO 8 HB2 PRO 8 -4.563 -8.747 -2.596
51 HB3 PRO 8 HB1 PRO 8 -6.249 -9.224 -2.342
52 HG2 PRO 8 HG2 PRO 8 -5.350 -9.005 -4.774
53 HG3 PRO 8 HG1 PRO 8 -6.936 -8.322 -4.360
54 HD2 PRO 8 HD2 PRO 8 -4.296 -6.900 -4.655
55 HD3 PRO 8 HD1 PRO 8 -5.873 -6.448 -5.333
56 H LYS 9 HN LYS 9 -6.067 -8.137 0.049
57 HA LYS 9 HA LYS 9 -4.484 -6.429 1.628
58 HB2 LYS 9 HB2 LYS 9 -5.050 -9.351 2.148
59 HB3 LYS 9 HB1 LYS 9 -4.606 -8.137 3.341
60 HG2 LYS 9 HG2 LYS 9 -6.990 -7.468 1.783
61 HG3 LYS 9 HG1 LYS 9 -7.147 -8.922 2.769
62 HD2 LYS 9 HD2 LYS 9 -6.292 -7.586 4.711
63 HD3 LYS 9 HD1 LYS 9 -6.403 -6.150 3.690
64 HE2 LYS 9 HE2 LYS 9 -8.392 -6.241 4.989
65 HE3 LYS 9 HE1 LYS 9 -8.825 -6.702 3.343
66 HZ1 LYS 9 HZ1 LYS 9 -8.283 -9.082 4.399
67 HZ2 LYS 9 HZ2 LYS 9 -9.828 -8.395 4.403
68 HZ3 LYS 9 HZ3 LYS 9 -8.850 -8.282 5.778
69 H SER 10 HN SER 10 -3.609 -8.922 -0.564
70 HA SER 10 HA SER 10 -1.012 -9.402 0.607
71 HB2 SER 10 HB2 SER 10 -2.614 -10.973 -0.873
72 HB3 SER 10 HB1 SER 10 -1.586 -10.326 -2.151
73 HG SER 10 HG SER 10 -0.775 -11.729 0.176
74 H GLU 11 HN GLU 11 -2.303 -7.659 -2.217
75 HA GLU 11 HA GLU 11 0.161 -7.086 -3.427
76 HB2 GLU 11 HB2 GLU 11 -2.599 -6.284 -3.692
77 HB3 GLU 11 HB1 GLU 11 -1.531 -4.900 -3.919
78 HG2 GLU 11 HG2 GLU 11 -0.737 -7.348 -5.340
79 HG3 GLU 11 HG1 GLU 11 -2.266 -6.639 -5.854
80 H CYS 12 HN CYS 12 -1.656 -5.401 -0.956
81 HA CYS 12 HA CYS 12 0.517 -3.441 -0.773
82 HB2 CYS 12 HB2 CYS 12 -1.483 -2.547 0.936
83 HB3 CYS 12 HB1 CYS 12 -1.148 -1.966 -0.691
84 H THR 13 HN THR 13 2.025 -4.228 0.470
85 HA THR 13 HA THR 13 1.254 -5.408 3.053
86 HB THR 13 HB THR 13 3.637 -6.418 2.884
87 HG1 THR 13 HG1 THR 13 3.219 -5.924 0.134
88 HG21 THR 13 HG21 THR 13 1.415 -7.629 2.437
89 HG22 THR 13 HG22 THR 13 2.895 -8.335 1.789
90 HG23 THR 13 HG23 THR 13 1.813 -7.429 0.727
91 H GLN 14 HN GLN 14 2.357 -4.758 4.919
92 HA GLN 14 HA GLN 14 3.035 -2.111 5.211
93 HB2 GLN 14 HB2 GLN 14 4.350 -4.306 6.810
94 HB3 GLN 14 HB1 GLN 14 3.973 -2.670 7.333
95 HG2 GLN 14 HG2 GLN 14 2.071 -4.942 6.844
96 HG3 GLN 14 HG1 GLN 14 2.393 -4.094 8.354
97 HE21 GLN 14 HE21 GLN 14 0.475 -4.228 5.553
98 HE22 GLN 14 HE22 GLN 14 -0.426 -2.777 5.814
99 H PHE 15 HN PHE 15 4.922 -4.739 4.018
100 HA PHE 15 HA PHE 15 7.498 -3.634 4.164
101 HB2 PHE 15 HB2 PHE 15 6.164 -5.884 2.863
102 HB3 PHE 15 HB1 PHE 15 7.498 -5.248 1.920
103 HD1 PHE 15 HD1 PHE 15 9.756 -5.039 3.048
104 HD2 PHE 15 HD2 PHE 15 6.534 -7.271 4.702
105 HE1 PHE 15 HE1 PHE 15 11.344 -6.267 4.464
106 HE2 PHE 15 HE2 PHE 15 8.116 -8.506 6.126
107 HZ PHE 15 HZ PHE 15 10.526 -8.005 6.009
108 H ARG 16 HN ARG 16 4.987 -3.476 1.673
109 HA ARG 16 HA ARG 16 6.449 -2.200 -0.327
110 HB2 ARG 16 HB2 ARG 16 3.524 -1.720 0.242
111 HB3 ARG 16 HB1 ARG 16 4.348 -1.575 -1.296
112 HG2 ARG 16 HG2 ARG 16 4.008 -4.135 0.212
113 HG3 ARG 16 HG1 ARG 16 2.971 -3.597 -1.105
114 HD2 ARG 16 HD2 ARG 16 5.149 -3.423 -2.463
115 HD3 ARG 16 HD1 ARG 16 5.856 -4.414 -1.188
116 HE ARG 16 HE ARG 16 3.427 -5.473 -2.331
117 HH11 ARG 16 HH11 ARG 16 6.911 -5.380 -2.530
118 HH12 ARG 16 HH12 ARG 16 7.026 -6.887 -3.376
119 HH21 ARG 16 HH21 ARG 16 3.579 -7.454 -3.442
120 HH22 ARG 16 HH22 ARG 16 5.136 -8.063 -3.895
121 H CYS 17 HN CYS 17 4.516 -0.754 2.291
122 HA CYS 17 HA CYS 17 5.051 1.914 1.528
123 HB2 CYS 17 HB2 CYS 17 4.033 0.613 4.016
124 HB3 CYS 17 HB1 CYS 17 4.484 2.312 4.040
125 H ARG 18 HN ARG 18 6.900 -0.430 3.190
126 HA ARG 18 HA ARG 18 8.602 1.272 4.678
127 HB2 ARG 18 HB2 ARG 18 8.298 -1.481 4.337
128 HB3 ARG 18 HB1 ARG 18 9.926 -1.126 3.732
129 HG2 ARG 18 HG2 ARG 18 8.843 -0.415 6.467
130 HG3 ARG 18 HG1 ARG 18 9.951 -1.736 6.095
131 HD2 ARG 18 HD2 ARG 18 10.980 0.708 5.014
132 HD3 ARG 18 HD1 ARG 18 10.579 0.941 6.714
133 HE ARG 18 HE ARG 18 12.254 -0.533 7.298
134 HH11 ARG 18 HH11 ARG 18 11.802 -0.573 3.835
135 HH12 ARG 18 HH12 ARG 18 13.247 -1.477 3.534
136 HH21 ARG 18 HH21 ARG 18 14.153 -1.721 6.899
137 HH22 ARG 18 HH22 ARG 18 14.581 -2.128 5.271
138 H THR 19 HN THR 19 8.978 -0.379 1.643
139 HA THR 19 HA THR 19 11.296 1.302 1.031
140 HB THR 19 HB THR 19 11.894 -0.932 1.405
141 HG1 THR 19 HG1 THR 19 11.641 -0.659 -1.420
142 HG21 THR 19 HG21 THR 19 10.907 -2.828 0.204
143 HG22 THR 19 HG22 THR 19 9.671 -1.742 -0.437
144 HG23 THR 19 HG23 THR 19 9.791 -2.012 1.306
145 H SER 20 HN SER 20 8.263 0.079 -0.256
146 HA SER 20 HA SER 20 8.776 1.363 -2.836
147 HB2 SER 20 HB2 SER 20 6.909 -0.732 -1.862
148 HB3 SER 20 HB1 SER 20 6.333 0.300 -3.171
149 HG SER 20 HG SER 20 8.137 -1.714 -3.241
150 H MET 21 HN MET 21 8.195 3.407 -3.110
151 HA MET 21 HA MET 21 6.361 4.717 -1.322
152 HB2 MET 21 HB2 MET 21 8.273 5.509 -3.402
153 HB3 MET 21 HB1 MET 21 6.835 6.518 -3.336
154 HG2 MET 21 HG2 MET 21 7.458 7.491 -1.430
155 HG3 MET 21 HG1 MET 21 8.004 5.975 -0.720
156 HE1 MET 21 HE1 MET 21 11.638 6.443 -0.559
157 HE2 MET 21 HE2 MET 21 10.362 5.226 -0.525
158 HE3 MET 21 HE3 MET 21 10.203 6.697 0.434
159 H LYS 22 HN LYS 22 6.217 3.378 -4.536
160 HA LYS 22 HA LYS 22 3.920 4.739 -5.447
161 HB2 LYS 22 HB2 LYS 22 5.450 3.577 -6.953
162 HB3 LYS 22 HB1 LYS 22 5.005 2.034 -6.238
163 HG2 LYS 22 HG2 LYS 22 2.584 3.097 -7.005
164 HG3 LYS 22 HG1 LYS 22 3.677 3.589 -8.299
165 HD2 LYS 22 HD2 LYS 22 4.077 0.822 -7.488
166 HD3 LYS 22 HD1 LYS 22 2.433 1.132 -8.049
167 HE2 LYS 22 HE2 LYS 22 3.460 0.630 -10.034
168 HE3 LYS 22 HE1 LYS 22 3.677 2.380 -9.996
169 HZ1 LYS 22 HZ1 LYS 22 5.651 0.255 -9.685
170 HZ2 LYS 22 HZ2 LYS 22 5.876 1.647 -8.750
171 HZ3 LYS 22 HZ3 LYS 22 5.795 1.765 -10.435
172 H TYR 23 HN TYR 23 4.281 1.563 -3.895
173 HA TYR 23 HA TYR 23 1.595 0.791 -4.038
174 HB2 TYR 23 HB2 TYR 23 3.875 0.025 -2.254
175 HB3 TYR 23 HB1 TYR 23 2.267 -0.634 -1.979
176 HD1 TYR 23 HD1 TYR 23 4.278 0.020 -5.053
177 HD2 TYR 23 HD2 TYR 23 2.164 -2.809 -2.692
178 HE1 TYR 23 HE1 TYR 23 4.712 -1.712 -6.751
179 HE2 TYR 23 HE2 TYR 23 2.589 -4.548 -4.370
180 HH TYR 23 HH TYR 23 4.465 -4.898 -6.230
181 H ARG 24 HN ARG 24 3.248 2.850 -1.784
182 HA ARG 24 HA ARG 24 1.366 2.721 0.323
183 HB2 ARG 24 HB2 ARG 24 2.807 5.269 0.024
184 HB3 ARG 24 HB1 ARG 24 2.698 4.195 1.405
185 HG2 ARG 24 HG2 ARG 24 4.297 2.677 0.126
186 HG3 ARG 24 HG1 ARG 24 4.564 4.061 -0.930
187 HD2 ARG 24 HD2 ARG 24 5.307 5.398 0.935
188 HD3 ARG 24 HD1 ARG 24 4.937 4.091 2.060
189 HE ARG 24 HE ARG 24 6.688 2.872 0.505
190 HH11 ARG 24 HH11 ARG 24 6.796 6.108 1.831
191 HH12 ARG 24 HH12 ARG 24 8.525 6.159 1.884
192 HH21 ARG 24 HH21 ARG 24 8.961 2.948 0.587
193 HH22 ARG 24 HH22 ARG 24 9.753 4.368 1.180
194 H LEU 25 HN LEU 25 1.896 5.400 -1.962
195 HA LEU 25 HA LEU 25 -0.721 6.467 -1.271
196 HB2 LEU 25 HB2 LEU 25 1.282 7.640 -3.179
197 HB3 LEU 25 HB1 LEU 25 -0.019 8.467 -2.337
198 HG LEU 25 HG LEU 25 1.773 9.164 -1.091
199 HD11 LEU 25 HD11 LEU 25 0.132 7.453 0.192
200 HD12 LEU 25 HD12 LEU 25 1.418 8.363 0.982
201 HD13 LEU 25 HD13 LEU 25 1.690 6.688 0.504
202 HD21 LEU 25 HD21 LEU 25 3.067 6.910 -2.281
203 HD22 LEU 25 HD22 LEU 25 3.427 6.950 -0.555
204 HD23 LEU 25 HD23 LEU 25 3.779 8.353 -1.563
205 H ASN 26 HN ASN 26 0.988 5.283 -4.123
206 HA ASN 26 HA ASN 26 -1.102 5.896 -5.936
207 HB2 ASN 26 HB2 ASN 26 1.480 5.341 -6.241
208 HB3 ASN 26 HB1 ASN 26 0.826 3.738 -6.579
209 HD21 ASN 26 HD21 ASN 26 0.555 3.386 -8.651
210 HD22 ASN 26 HD22 ASN 26 0.086 4.551 -9.836
211 H LEU 27 HN LEU 27 -0.280 2.934 -4.149
212 HA LEU 27 HA LEU 27 -2.536 1.594 -5.440
213 HB2 LEU 27 HB2 LEU 27 -0.188 0.640 -3.877
214 HB3 LEU 27 HB1 LEU 27 -1.630 -0.353 -3.917
215 HG LEU 27 HG LEU 27 -1.498 -0.216 -6.451
216 HD11 LEU 27 HD11 LEU 27 0.162 1.729 -6.298
217 HD12 LEU 27 HD12 LEU 27 0.461 0.473 -7.499
218 HD13 LEU 27 HD13 LEU 27 1.377 0.488 -5.992
219 HD21 LEU 27 HD21 LEU 27 0.914 -1.583 -5.358
220 HD22 LEU 27 HD22 LEU 27 -0.276 -2.156 -6.526
221 HD23 LEU 27 HD23 LEU 27 -0.688 -2.081 -4.813
222 H CYS 28 HN CYS 28 -1.885 0.382 -2.287
223 HA CYS 28 HA CYS 28 -4.511 1.324 -1.450
224 HB2 CYS 28 HB2 CYS 28 -2.664 -0.494 0.089
225 HB3 CYS 28 HB1 CYS 28 -4.415 -0.365 0.218
226 H LYS 29 HN LYS 29 -4.911 2.514 0.374
227 HA LYS 29 HA LYS 29 -2.772 4.263 1.202
228 HB2 LYS 29 HB2 LYS 29 -5.705 4.168 1.911
229 HB3 LYS 29 HB1 LYS 29 -4.586 5.376 2.531
230 HG2 LYS 29 HG2 LYS 29 -4.299 5.315 -0.285
231 HG3 LYS 29 HG1 LYS 29 -6.025 5.367 0.081
232 HD2 LYS 29 HD2 LYS 29 -5.914 7.460 0.918
233 HD3 LYS 29 HD1 LYS 29 -4.347 7.181 1.680
234 HE2 LYS 29 HE2 LYS 29 -3.173 7.765 -0.207
235 HE3 LYS 29 HE1 LYS 29 -4.497 7.340 -1.291
236 HZ1 LYS 29 HZ1 LYS 29 -4.585 9.604 -1.371
237 HZ2 LYS 29 HZ2 LYS 29 -4.056 9.811 0.222
238 HZ3 LYS 29 HZ3 LYS 29 -5.649 9.332 -0.083
239 H LYS 30 HN LYS 30 -5.148 2.270 2.917
240 HA LYS 30 HA LYS 30 -3.571 2.341 5.328
241 HB2 LYS 30 HB2 LYS 30 -5.949 2.484 5.563
242 HB3 LYS 30 HB1 LYS 30 -6.178 0.995 4.653
243 HG2 LYS 30 HG2 LYS 30 -6.456 0.323 6.850
244 HG3 LYS 30 HG1 LYS 30 -4.777 -0.101 6.504
245 HD2 LYS 30 HD2 LYS 30 -3.937 1.645 7.770
246 HD3 LYS 30 HD1 LYS 30 -5.443 2.560 7.689
247 HE2 LYS 30 HE2 LYS 30 -6.407 1.391 9.395
248 HE3 LYS 30 HE1 LYS 30 -5.514 -0.085 9.031
249 HZ1 LYS 30 HZ1 LYS 30 -3.621 0.717 10.120
250 HZ2 LYS 30 HZ2 LYS 30 -4.901 1.133 11.144
251 HZ3 LYS 30 HZ3 LYS 30 -4.191 2.310 10.158
252 H THR 31 HN THR 31 -4.823 -0.302 3.293
253 HA THR 31 HA THR 31 -3.737 -2.433 4.564
254 HB THR 31 HB THR 31 -3.858 -2.083 1.572
255 HG1 THR 31 HG1 THR 31 -5.771 -3.041 3.434
256 HG21 THR 31 HG21 THR 31 -4.142 -4.499 1.505
257 HG22 THR 31 HG22 THR 31 -3.874 -4.576 3.247
258 HG23 THR 31 HG23 THR 31 -2.579 -4.041 2.180
259 H CYS 32 HN CYS 32 -1.996 -0.176 2.548
260 HA CYS 32 HA CYS 32 0.374 -1.796 2.409
261 HB2 CYS 32 HB2 CYS 32 0.019 -0.242 0.622
262 HB3 CYS 32 HB1 CYS 32 -0.116 1.109 1.743
263 H GLY 33 HN GLY 33 -0.965 0.220 4.792
264 HA2 GLY 33 HA2 GLY 33 -0.151 0.414 6.978
265 HA3 GLY 33 HA1 GLY 33 1.426 -0.113 6.416
266 H THR 34 HN THR 34 -0.650 2.593 5.380
267 HA THR 34 HA THR 34 1.372 4.454 6.386
268 HB THR 34 HB THR 34 2.006 4.151 4.089
269 HG1 THR 34 HG1 THR 34 2.326 6.207 4.184
270 HG21 THR 34 HG21 THR 34 -0.057 3.309 3.135
271 HG22 THR 34 HG22 THR 34 0.557 4.686 2.220
272 HG23 THR 34 HG23 THR 34 -0.799 4.899 3.327
273 H CYS 35 HN CYS 35 -1.907 3.861 5.316
274 HA CYS 35 HA CYS 35 -3.039 6.364 5.448
275 HB2 CYS 35 HB2 CYS 35 -4.278 4.344 4.792
276 HB3 CYS 35 HB1 CYS 35 -4.253 3.785 6.461
Start of MODEL 3
1 H1 ALA 2 HT1 ALA 2 -11.307 9.841 4.592
2 H2 ALA 2 HT2 ALA 2 -12.864 9.342 5.113
3 H3 ALA 2 HT3 ALA 2 -12.466 9.318 3.443
4 HA ALA 2 HA ALA 2 -11.002 7.750 5.438
5 HB1 ALA 2 HB1 ALA 2 -12.524 6.089 5.443
6 HB2 ALA 2 HB2 ALA 2 -13.010 6.384 3.773
7 HB3 ALA 2 HB3 ALA 2 -13.648 7.396 5.069
8 H CYS 3 HN CYS 3 -10.015 5.852 4.356
9 HA CYS 3 HA CYS 3 -9.391 6.397 1.530
10 HB2 CYS 3 HB2 CYS 3 -7.069 5.682 1.962
11 HB3 CYS 3 HB1 CYS 3 -7.500 7.114 2.889
12 H LYS 4 HN LYS 4 -8.477 4.483 0.391
13 HA LYS 4 HA LYS 4 -9.383 1.927 1.514
14 HB2 LYS 4 HB2 LYS 4 -10.415 3.301 -0.880
15 HB3 LYS 4 HB1 LYS 4 -10.003 1.610 -1.127
16 HG2 LYS 4 HG2 LYS 4 -11.406 1.190 0.995
17 HG3 LYS 4 HG1 LYS 4 -12.053 2.804 0.692
18 HD2 LYS 4 HD2 LYS 4 -12.620 2.047 -1.626
19 HD3 LYS 4 HD1 LYS 4 -12.152 0.415 -1.145
20 HE2 LYS 4 HE2 LYS 4 -14.066 1.794 0.628
21 HE3 LYS 4 HE1 LYS 4 -14.667 1.365 -0.973
22 HZ1 LYS 4 HZ1 LYS 4 -13.934 -0.350 1.254
23 HZ2 LYS 4 HZ2 LYS 4 -13.473 -0.903 -0.276
24 HZ3 LYS 4 HZ3 LYS 4 -15.100 -0.576 0.049
25 H ASP 5 HN ASP 5 -8.782 0.217 -0.464
26 HA ASP 5 HA ASP 5 -5.951 0.719 -1.016
27 HB2 ASP 5 HB2 ASP 5 -5.521 -1.664 -0.652
28 HB3 ASP 5 HB1 ASP 5 -6.228 -0.925 0.780
29 H TYR 6 HN TYR 6 -5.220 0.327 -2.982
30 HA TYR 6 HA TYR 6 -7.097 -0.127 -5.100
31 HB2 TYR 6 HB2 TYR 6 -4.879 1.337 -5.000
32 HB3 TYR 6 HB1 TYR 6 -4.161 -0.148 -5.613
33 HD1 TYR 6 HD1 TYR 6 -6.660 2.481 -6.318
34 HD2 TYR 6 HD2 TYR 6 -4.477 -0.824 -7.871
35 HE1 TYR 6 HE1 TYR 6 -7.381 3.081 -8.592
36 HE2 TYR 6 HE2 TYR 6 -5.191 -0.234 -10.149
37 HH TYR 6 HH TYR 6 -7.647 2.079 -10.764
38 H LEU 7 HN LEU 7 -5.295 -2.214 -3.136
39 HA LEU 7 HA LEU 7 -5.862 -4.418 -4.964
40 HB2 LEU 7 HB2 LEU 7 -3.129 -3.739 -3.935
41 HB3 LEU 7 HB1 LEU 7 -3.553 -5.367 -4.373
42 HG LEU 7 HG LEU 7 -4.075 -3.273 -6.400
43 HD11 LEU 7 HD11 LEU 7 -1.573 -3.862 -7.083
44 HD12 LEU 7 HD12 LEU 7 -1.401 -3.959 -5.330
45 HD13 LEU 7 HD13 LEU 7 -1.975 -2.468 -6.079
46 HD21 LEU 7 HD21 LEU 7 -4.547 -5.211 -7.418
47 HD22 LEU 7 HD22 LEU 7 -3.668 -6.160 -6.218
48 HD23 LEU 7 HD23 LEU 7 -2.800 -5.405 -7.555
49 HA PRO 8 HA PRO 8 -6.803 -6.924 -1.494
50 HB2 PRO 8 HB2 PRO 8 -4.729 -8.890 -2.278
51 HB3 PRO 8 HB1 PRO 8 -6.469 -9.111 -2.043
52 HG2 PRO 8 HG2 PRO 8 -5.493 -9.069 -4.463
53 HG3 PRO 8 HG1 PRO 8 -6.990 -8.188 -4.094
54 HD2 PRO 8 HD2 PRO 8 -4.190 -7.105 -4.351
55 HD3 PRO 8 HD1 PRO 8 -5.678 -6.486 -5.088
56 H LYS 9 HN LYS 9 -6.047 -8.036 0.336
57 HA LYS 9 HA LYS 9 -4.235 -6.524 1.861
58 HB2 LYS 9 HB2 LYS 9 -5.079 -9.367 2.429
59 HB3 LYS 9 HB1 LYS 9 -4.528 -8.171 3.593
60 HG2 LYS 9 HG2 LYS 9 -6.849 -7.316 2.039
61 HG3 LYS 9 HG1 LYS 9 -7.133 -8.752 3.025
62 HD2 LYS 9 HD2 LYS 9 -5.669 -6.614 4.397
63 HD3 LYS 9 HD1 LYS 9 -7.309 -6.177 3.914
64 HE2 LYS 9 HE2 LYS 9 -7.731 -8.640 4.945
65 HE3 LYS 9 HE1 LYS 9 -6.374 -8.105 5.935
66 HZ1 LYS 9 HZ1 LYS 9 -8.280 -7.407 7.065
67 HZ2 LYS 9 HZ2 LYS 9 -9.040 -6.855 5.658
68 HZ3 LYS 9 HZ3 LYS 9 -7.722 -6.008 6.294
69 H SER 10 HN SER 10 -3.706 -9.131 -0.321
70 HA SER 10 HA SER 10 -1.139 -9.871 0.786
71 HB2 SER 10 HB2 SER 10 -2.885 -10.847 -1.408
72 HB3 SER 10 HB1 SER 10 -1.154 -11.130 -1.584
73 HG SER 10 HG SER 10 -1.185 -12.173 0.437
74 H GLU 11 HN GLU 11 -2.337 -8.081 -2.038
75 HA GLU 11 HA GLU 11 0.189 -7.690 -3.253
76 HB2 GLU 11 HB2 GLU 11 -2.553 -6.879 -3.640
77 HB3 GLU 11 HB1 GLU 11 -1.477 -5.518 -3.908
78 HG2 GLU 11 HG2 GLU 11 -0.673 -8.036 -5.194
79 HG3 GLU 11 HG1 GLU 11 -2.180 -7.328 -5.778
80 H CYS 12 HN CYS 12 -1.713 -5.894 -0.945
81 HA CYS 12 HA CYS 12 0.352 -3.834 -0.767
82 HB2 CYS 12 HB2 CYS 12 -2.529 -4.009 -0.070
83 HB3 CYS 12 HB1 CYS 12 -1.528 -2.910 0.886
84 H THR 13 HN THR 13 1.948 -4.426 0.523
85 HA THR 13 HA THR 13 1.253 -5.634 3.120
86 HB THR 13 HB THR 13 3.669 -6.527 2.992
87 HG1 THR 13 HG1 THR 13 4.739 -6.216 1.228
88 HG21 THR 13 HG21 THR 13 3.082 -8.463 1.738
89 HG22 THR 13 HG22 THR 13 1.816 -7.593 0.865
90 HG23 THR 13 HG23 THR 13 1.632 -7.930 2.589
91 H GLN 14 HN GLN 14 2.209 -4.798 4.966
92 HA GLN 14 HA GLN 14 2.775 -2.110 5.110
93 HB2 GLN 14 HB2 GLN 14 3.657 -4.393 6.872
94 HB3 GLN 14 HB1 GLN 14 4.028 -2.718 7.261
95 HG2 GLN 14 HG2 GLN 14 2.100 -3.174 8.477
96 HG3 GLN 14 HG1 GLN 14 1.519 -2.298 7.061
97 HE21 GLN 14 HE21 GLN 14 0.240 -3.342 5.566
98 HE22 GLN 14 HE22 GLN 14 -0.411 -4.921 5.825
99 H PHE 15 HN PHE 15 4.824 -4.740 4.211
100 HA PHE 15 HA PHE 15 7.348 -3.547 4.428
101 HB2 PHE 15 HB2 PHE 15 6.148 -5.875 3.123
102 HB3 PHE 15 HB1 PHE 15 7.517 -5.226 2.239
103 HD1 PHE 15 HD2 PHE 15 9.709 -4.959 3.455
104 HD2 PHE 15 HD1 PHE 15 6.441 -7.167 5.051
105 HE1 PHE 15 HE2 PHE 15 11.244 -6.105 4.992
106 HE2 PHE 15 HE1 PHE 15 7.970 -8.319 6.597
107 HZ PHE 15 HZ PHE 15 10.377 -7.790 6.569
108 H ARG 16 HN ARG 16 4.910 -3.488 1.889
109 HA ARG 16 HA ARG 16 6.365 -2.293 -0.153
110 HB2 ARG 16 HB2 ARG 16 3.440 -1.904 0.500
111 HB3 ARG 16 HB1 ARG 16 4.196 -1.569 -1.043
112 HG2 ARG 16 HG2 ARG 16 4.137 -4.274 0.231
113 HG3 ARG 16 HG1 ARG 16 2.947 -3.705 -0.940
114 HD2 ARG 16 HD2 ARG 16 4.401 -4.789 -2.338
115 HD3 ARG 16 HD1 ARG 16 5.103 -3.172 -2.356
116 HE ARG 16 HE ARG 16 6.340 -4.501 -0.287
117 HH11 ARG 16 HH11 ARG 16 6.013 -4.945 -3.733
118 HH12 ARG 16 HH12 ARG 16 7.542 -5.740 -3.902
119 HH21 ARG 16 HH21 ARG 16 8.352 -5.545 -0.508
120 HH22 ARG 16 HH22 ARG 16 8.870 -6.081 -2.071
121 H CYS 17 HN CYS 17 4.483 -0.713 2.431
122 HA CYS 17 HA CYS 17 5.123 1.905 1.537
123 HB2 CYS 17 HB2 CYS 17 3.944 0.783 4.040
124 HB3 CYS 17 HB1 CYS 17 4.473 2.459 4.000
125 H ARG 18 HN ARG 18 6.797 -0.417 3.412
126 HA ARG 18 HA ARG 18 8.500 1.265 4.895
127 HB2 ARG 18 HB2 ARG 18 8.176 -1.490 4.550
128 HB3 ARG 18 HB1 ARG 18 9.829 -1.149 4.008
129 HG2 ARG 18 HG2 ARG 18 9.433 0.262 6.429
130 HG3 ARG 18 HG1 ARG 18 8.796 -1.366 6.672
131 HD2 ARG 18 HD2 ARG 18 10.900 -2.318 5.895
132 HD3 ARG 18 HD1 ARG 18 11.536 -0.701 5.600
133 HE ARG 18 HE ARG 18 10.719 -0.901 8.282
134 HH11 ARG 18 HH11 ARG 18 13.202 -2.083 6.134
135 HH12 ARG 18 HH12 ARG 18 14.376 -2.273 7.392
136 HH21 ARG 18 HH21 ARG 18 12.262 -1.150 9.939
137 HH22 ARG 18 HH22 ARG 18 13.843 -1.744 9.553
138 H THR 19 HN THR 19 8.941 -0.413 1.884
139 HA THR 19 HA THR 19 11.285 1.245 1.316
140 HB THR 19 HB THR 19 11.861 -0.985 1.735
141 HG1 THR 19 HG1 THR 19 11.687 -0.839 -1.100
142 HG21 THR 19 HG21 THR 19 10.901 -2.892 0.534
143 HG22 THR 19 HG22 THR 19 9.692 -1.811 -0.163
144 HG23 THR 19 HG23 THR 19 9.754 -2.056 1.587
145 H SER 20 HN SER 20 8.281 0.020 -0.046
146 HA SER 20 HA SER 20 8.884 1.277 -2.622
147 HB2 SER 20 HB2 SER 20 7.775 -1.108 -2.170
148 HB3 SER 20 HB1 SER 20 6.304 -0.135 -2.168
149 HG SER 20 HG SER 20 6.989 -0.983 -4.261
150 H MET 21 HN MET 21 8.273 3.294 -2.981
151 HA MET 21 HA MET 21 6.372 4.631 -1.283
152 HB2 MET 21 HB2 MET 21 8.333 5.386 -3.333
153 HB3 MET 21 HB1 MET 21 6.881 6.376 -3.338
154 HG2 MET 21 HG2 MET 21 7.342 7.314 -1.331
155 HG3 MET 21 HG1 MET 21 8.157 5.877 -0.720
156 HE1 MET 21 HE1 MET 21 11.644 6.014 -2.156
157 HE2 MET 21 HE2 MET 21 10.492 5.645 -3.439
158 HE3 MET 21 HE3 MET 21 10.251 4.985 -1.821
159 H LYS 22 HN LYS 22 6.415 3.386 -4.568
160 HA LYS 22 HA LYS 22 4.126 4.613 -5.574
161 HB2 LYS 22 HB2 LYS 22 5.734 3.386 -6.952
162 HB3 LYS 22 HB1 LYS 22 5.231 1.875 -6.209
163 HG2 LYS 22 HG2 LYS 22 3.964 1.737 -8.063
164 HG3 LYS 22 HG1 LYS 22 2.859 2.722 -7.104
165 HD2 LYS 22 HD2 LYS 22 2.907 4.027 -8.958
166 HD3 LYS 22 HD1 LYS 22 4.354 4.669 -8.176
167 HE2 LYS 22 HE2 LYS 22 5.399 2.566 -9.517
168 HE3 LYS 22 HE1 LYS 22 4.077 3.011 -10.595
169 HZ1 LYS 22 HZ1 LYS 22 6.269 4.780 -9.656
170 HZ2 LYS 22 HZ2 LYS 22 4.948 5.304 -10.573
171 HZ3 LYS 22 HZ3 LYS 22 6.043 4.194 -11.227
172 H TYR 23 HN TYR 23 4.412 1.471 -3.932
173 HA TYR 23 HA TYR 23 1.731 0.703 -4.137
174 HB2 TYR 23 HB2 TYR 23 3.937 -0.005 -2.235
175 HB3 TYR 23 HB1 TYR 23 2.319 -0.663 -2.021
176 HD1 TYR 23 HD1 TYR 23 4.350 -0.062 -5.089
177 HD2 TYR 23 HD2 TYR 23 2.388 -2.884 -2.594
178 HE1 TYR 23 HE1 TYR 23 4.876 -1.846 -6.704
179 HE2 TYR 23 HE2 TYR 23 2.906 -4.675 -4.186
180 HH TYR 23 HH TYR 23 3.398 -4.733 -6.799
181 H ARG 24 HN ARG 24 3.271 2.911 -1.973
182 HA ARG 24 HA ARG 24 1.291 2.831 0.077
183 HB2 ARG 24 HB2 ARG 24 2.916 5.283 -0.250
184 HB3 ARG 24 HB1 ARG 24 2.574 4.347 1.195
185 HG2 ARG 24 HG2 ARG 24 4.146 2.603 0.284
186 HG3 ARG 24 HG1 ARG 24 4.611 3.787 -0.935
187 HD2 ARG 24 HD2 ARG 24 5.228 5.356 0.861
188 HD3 ARG 24 HD1 ARG 24 4.844 4.114 2.052
189 HE ARG 24 HE ARG 24 6.632 2.816 0.611
190 HH11 ARG 24 HH11 ARG 24 6.696 6.132 1.727
191 HH12 ARG 24 HH12 ARG 24 8.423 6.203 1.797
192 HH21 ARG 24 HH21 ARG 24 8.902 2.918 0.716
193 HH22 ARG 24 HH22 ARG 24 9.675 4.381 1.226
194 H LEU 25 HN LEU 25 2.059 5.436 -2.222
195 HA LEU 25 HA LEU 25 -0.552 6.615 -1.708
196 HB2 LEU 25 HB2 LEU 25 1.592 7.683 -3.520
197 HB3 LEU 25 HB1 LEU 25 0.294 8.569 -2.739
198 HG LEU 25 HG LEU 25 2.057 9.200 -1.419
199 HD11 LEU 25 HD11 LEU 25 1.842 6.756 0.200
200 HD12 LEU 25 HD12 LEU 25 0.307 7.525 -0.202
201 HD13 LEU 25 HD13 LEU 25 1.558 8.441 0.634
202 HD21 LEU 25 HD21 LEU 25 4.043 8.311 -1.830
203 HD22 LEU 25 HD22 LEU 25 3.305 6.873 -2.532
204 HD23 LEU 25 HD23 LEU 25 3.612 6.949 -0.797
205 H ASN 26 HN ASN 26 1.281 5.291 -4.418
206 HA ASN 26 HA ASN 26 -0.666 5.942 -6.376
207 HB2 ASN 26 HB2 ASN 26 1.899 5.288 -6.516
208 HB3 ASN 26 HB1 ASN 26 1.219 3.690 -6.820
209 HD21 ASN 26 HD21 ASN 26 0.591 3.218 -8.814
210 HD22 ASN 26 HD22 ASN 26 0.406 4.353 -10.104
211 H LEU 27 HN LEU 27 -0.073 3.010 -4.462
212 HA LEU 27 HA LEU 27 -2.305 1.702 -5.826
213 HB2 LEU 27 HB2 LEU 27 -0.146 0.732 -3.990
214 HB3 LEU 27 HB1 LEU 27 -1.603 -0.217 -4.207
215 HG LEU 27 HG LEU 27 -1.156 -0.275 -6.652
216 HD11 LEU 27 HD11 LEU 27 0.206 1.360 -7.364
217 HD12 LEU 27 HD12 LEU 27 1.483 0.215 -6.953
218 HD13 LEU 27 HD13 LEU 27 1.038 1.487 -5.815
219 HD21 LEU 27 HD21 LEU 27 1.231 -1.329 -5.181
220 HD22 LEU 27 HD22 LEU 27 0.337 -2.054 -6.517
221 HD23 LEU 27 HD23 LEU 27 -0.378 -1.996 -4.906
222 H CYS 28 HN CYS 28 -1.894 0.634 -2.596
223 HA CYS 28 HA CYS 28 -4.481 1.799 -1.886
224 HB2 CYS 28 HB2 CYS 28 -4.397 0.195 -0.039
225 HB3 CYS 28 HB1 CYS 28 -4.096 -0.615 -1.580
226 H LYS 29 HN LYS 29 -4.784 2.995 -0.020
227 HA LYS 29 HA LYS 29 -2.506 4.535 0.841
228 HB2 LYS 29 HB2 LYS 29 -5.366 4.727 1.782
229 HB3 LYS 29 HB1 LYS 29 -4.100 5.930 1.991
230 HG2 LYS 29 HG2 LYS 29 -4.182 5.515 -0.746
231 HG3 LYS 29 HG1 LYS 29 -5.876 5.478 -0.249
232 HD2 LYS 29 HD2 LYS 29 -5.768 7.714 -0.368
233 HD3 LYS 29 HD1 LYS 29 -4.903 7.612 1.166
234 HE2 LYS 29 HE2 LYS 29 -2.839 7.913 0.174
235 HE3 LYS 29 HE1 LYS 29 -3.398 7.345 -1.399
236 HZ1 LYS 29 HZ1 LYS 29 -4.584 9.797 -0.330
237 HZ2 LYS 29 HZ2 LYS 29 -4.250 9.369 -1.932
238 HZ3 LYS 29 HZ3 LYS 29 -2.999 9.881 -0.916
239 H LYS 30 HN LYS 30 -5.039 2.691 2.511
240 HA LYS 30 HA LYS 30 -3.517 2.652 4.944
241 HB2 LYS 30 HB2 LYS 30 -5.882 2.899 5.118
242 HB3 LYS 30 HB1 LYS 30 -6.159 1.436 4.180
243 HG2 LYS 30 HG2 LYS 30 -6.543 0.767 6.367
244 HG3 LYS 30 HG1 LYS 30 -4.889 0.234 6.050
245 HD2 LYS 30 HD2 LYS 30 -3.963 1.869 7.382
246 HD3 LYS 30 HD1 LYS 30 -5.368 2.927 7.239
247 HE2 LYS 30 HE2 LYS 30 -5.470 2.121 9.434
248 HE3 LYS 30 HE1 LYS 30 -6.629 1.130 8.548
249 HZ1 LYS 30 HZ1 LYS 30 -4.029 0.389 9.676
250 HZ2 LYS 30 HZ2 LYS 30 -4.544 -0.406 8.274
251 HZ3 LYS 30 HZ3 LYS 30 -5.489 -0.468 9.676
252 H THR 31 HN THR 31 -4.770 0.026 2.842
253 HA THR 31 HA THR 31 -3.773 -2.089 4.249
254 HB THR 31 HB THR 31 -3.862 -1.903 1.242
255 HG1 THR 31 HG1 THR 31 -5.810 -2.612 3.172
256 HG21 THR 31 HG21 THR 31 -4.181 -4.345 2.941
257 HG22 THR 31 HG22 THR 31 -2.635 -3.863 2.245
258 HG23 THR 31 HG23 THR 31 -4.001 -4.242 1.191
259 H CYS 32 HN CYS 32 -1.950 0.073 2.224
260 HA CYS 32 HA CYS 32 0.383 -1.623 2.140
261 HB2 CYS 32 HB2 CYS 32 0.201 -0.079 0.342
262 HB3 CYS 32 HB1 CYS 32 -0.032 1.284 1.431
263 H GLY 33 HN GLY 33 -1.005 0.388 4.447
264 HA2 GLY 33 HA2 GLY 33 -0.315 0.564 6.677
265 HA3 GLY 33 HA1 GLY 33 1.282 0.011 6.204
266 H THR 34 HN THR 34 -0.643 2.773 5.013
267 HA THR 34 HA THR 34 1.367 4.564 6.175
268 HB THR 34 HB THR 34 2.120 4.368 3.931
269 HG1 THR 34 HG1 THR 34 0.550 6.716 4.027
270 HG21 THR 34 HG21 THR 34 -0.629 5.060 2.954
271 HG22 THR 34 HG22 THR 34 0.081 3.444 2.913
272 HG23 THR 34 HG23 THR 34 0.804 4.750 1.975
273 H CYS 35 HN CYS 35 -1.877 4.132 4.893
274 HA CYS 35 HA CYS 35 -2.746 6.793 5.456
275 HB2 CYS 35 HB2 CYS 35 -3.864 5.266 3.822
276 HB3 CYS 35 HB1 CYS 35 -4.457 4.317 5.179
Start of MODEL 4
1 H1 ALA 2 HT1 ALA 2 -12.764 9.095 3.681
2 H2 ALA 2 HT2 ALA 2 -13.709 8.257 4.842
3 H3 ALA 2 HT3 ALA 2 -13.509 7.608 3.266
4 HA ALA 2 HA ALA 2 -11.298 8.078 5.141
5 HB1 ALA 2 HB1 ALA 2 -13.016 6.457 5.997
6 HB2 ALA 2 HB2 ALA 2 -11.396 5.794 5.781
7 HB3 ALA 2 HB3 ALA 2 -12.655 5.448 4.595
8 H CYS 3 HN CYS 3 -9.884 5.842 4.470
9 HA CYS 3 HA CYS 3 -9.329 6.264 1.606
10 HB2 CYS 3 HB2 CYS 3 -6.982 5.742 2.099
11 HB3 CYS 3 HB1 CYS 3 -7.539 7.120 3.039
12 H LYS 4 HN LYS 4 -8.844 4.489 0.316
13 HA LYS 4 HA LYS 4 -9.408 1.859 1.525
14 HB2 LYS 4 HB2 LYS 4 -10.113 2.808 -1.258
15 HB3 LYS 4 HB1 LYS 4 -10.412 1.196 -0.623
16 HG2 LYS 4 HG2 LYS 4 -11.520 3.477 0.903
17 HG3 LYS 4 HG1 LYS 4 -12.267 3.095 -0.650
18 HD2 LYS 4 HD2 LYS 4 -13.036 1.062 0.066
19 HD3 LYS 4 HD1 LYS 4 -11.731 0.859 1.236
20 HE2 LYS 4 HE2 LYS 4 -13.820 1.202 2.400
21 HE3 LYS 4 HE1 LYS 4 -12.766 2.593 2.650
22 HZ1 LYS 4 HZ1 LYS 4 -14.111 3.944 1.454
23 HZ2 LYS 4 HZ2 LYS 4 -15.290 2.845 1.966
24 HZ3 LYS 4 HZ3 LYS 4 -14.635 2.719 0.412
25 H ASP 5 HN ASP 5 -8.768 0.163 -0.434
26 HA ASP 5 HA ASP 5 -5.964 0.763 -1.039
27 HB2 ASP 5 HB2 ASP 5 -5.453 -1.609 -0.663
28 HB3 ASP 5 HB1 ASP 5 -6.137 -0.861 0.775
29 H TYR 6 HN TYR 6 -5.297 0.463 -3.034
30 HA TYR 6 HA TYR 6 -7.154 -0.064 -5.120
31 HB2 TYR 6 HB2 TYR 6 -4.533 1.016 -4.886
32 HB3 TYR 6 HB1 TYR 6 -4.473 -0.268 -6.086
33 HD1 TYR 6 HD2 TYR 6 -7.299 0.063 -7.156
34 HD2 TYR 6 HD1 TYR 6 -4.239 2.887 -6.286
35 HE1 TYR 6 HE2 TYR 6 -8.244 1.593 -8.834
36 HE2 TYR 6 HE1 TYR 6 -5.175 4.426 -7.960
37 HH TYR 6 HH TYR 6 -6.578 4.382 -9.922
38 H LEU 7 HN LEU 7 -5.267 -2.144 -3.174
39 HA LEU 7 HA LEU 7 -5.937 -4.368 -4.958
40 HB2 LEU 7 HB2 LEU 7 -3.185 -3.699 -3.982
41 HB3 LEU 7 HB1 LEU 7 -3.627 -5.340 -4.346
42 HG LEU 7 HG LEU 7 -4.214 -3.379 -6.469
43 HD11 LEU 7 HD11 LEU 7 -1.525 -3.757 -5.335
44 HD12 LEU 7 HD12 LEU 7 -2.175 -2.435 -6.305
45 HD13 LEU 7 HD13 LEU 7 -1.646 -3.925 -7.086
46 HD21 LEU 7 HD21 LEU 7 -2.737 -5.572 -7.388
47 HD22 LEU 7 HD22 LEU 7 -4.480 -5.330 -7.501
48 HD23 LEU 7 HD23 LEU 7 -3.798 -6.207 -6.130
49 HA PRO 8 HA PRO 8 -6.878 -6.838 -1.464
50 HB2 PRO 8 HB2 PRO 8 -4.821 -8.827 -2.234
51 HB3 PRO 8 HB1 PRO 8 -6.562 -9.032 -1.992
52 HG2 PRO 8 HG2 PRO 8 -5.593 -9.022 -4.415
53 HG3 PRO 8 HG1 PRO 8 -7.082 -8.125 -4.051
54 HD2 PRO 8 HD2 PRO 8 -4.273 -7.068 -4.324
55 HD3 PRO 8 HD1 PRO 8 -5.758 -6.444 -5.065
56 H LYS 9 HN LYS 9 -6.123 -7.939 0.374
57 HA LYS 9 HA LYS 9 -4.296 -6.423 1.878
58 HB2 LYS 9 HB2 LYS 9 -5.132 -9.255 2.500
59 HB3 LYS 9 HB1 LYS 9 -4.625 -8.014 3.637
60 HG2 LYS 9 HG2 LYS 9 -6.913 -7.197 2.045
61 HG3 LYS 9 HG1 LYS 9 -7.216 -8.664 2.978
62 HD2 LYS 9 HD2 LYS 9 -6.760 -7.588 5.018
63 HD3 LYS 9 HD1 LYS 9 -5.982 -6.221 4.218
64 HE2 LYS 9 HE2 LYS 9 -7.937 -5.178 3.828
65 HE3 LYS 9 HE1 LYS 9 -8.774 -6.679 3.436
66 HZ1 LYS 9 HZ1 LYS 9 -9.356 -5.339 5.585
67 HZ2 LYS 9 HZ2 LYS 9 -8.035 -6.177 6.228
68 HZ3 LYS 9 HZ3 LYS 9 -9.353 -7.031 5.600
69 H SER 10 HN SER 10 -3.802 -9.070 -0.264
70 HA SER 10 HA SER 10 -1.237 -9.816 0.843
71 HB2 SER 10 HB2 SER 10 -3.075 -11.215 -0.563
72 HB3 SER 10 HB1 SER 10 -1.972 -10.761 -1.861
73 HG SER 10 HG SER 10 -1.297 -12.115 0.541
74 H GLU 11 HN GLU 11 -2.432 -8.012 -1.969
75 HA GLU 11 HA GLU 11 0.098 -7.700 -3.215
76 HB2 GLU 11 HB2 GLU 11 -2.632 -6.849 -3.608
77 HB3 GLU 11 HB1 GLU 11 -1.534 -5.511 -3.899
78 HG2 GLU 11 HG2 GLU 11 -0.772 -8.060 -5.146
79 HG3 GLU 11 HG1 GLU 11 -2.271 -7.341 -5.738
80 H CYS 12 HN CYS 12 -1.764 -5.840 -0.926
81 HA CYS 12 HA CYS 12 0.341 -3.817 -0.779
82 HB2 CYS 12 HB2 CYS 12 -2.544 -3.924 -0.094
83 HB3 CYS 12 HB1 CYS 12 -1.526 -2.845 0.868
84 H THR 13 HN THR 13 1.926 -4.433 0.520
85 HA THR 13 HA THR 13 1.202 -5.603 3.126
86 HB THR 13 HB THR 13 3.613 -6.527 3.006
87 HG1 THR 13 HG1 THR 13 3.210 -6.048 0.247
88 HG21 THR 13 HG21 THR 13 1.544 -7.901 2.634
89 HG22 THR 13 HG22 THR 13 2.989 -8.477 1.803
90 HG23 THR 13 HG23 THR 13 1.742 -7.606 0.904
91 H GLN 14 HN GLN 14 2.171 -4.777 4.971
92 HA GLN 14 HA GLN 14 2.775 -2.098 5.112
93 HB2 GLN 14 HB2 GLN 14 3.633 -4.390 6.874
94 HB3 GLN 14 HB1 GLN 14 4.025 -2.720 7.260
95 HG2 GLN 14 HG2 GLN 14 2.096 -3.149 8.482
96 HG3 GLN 14 HG1 GLN 14 1.520 -2.270 7.067
97 HE21 GLN 14 HE21 GLN 14 0.237 -3.309 5.568
98 HE22 GLN 14 HE22 GLN 14 -0.436 -4.877 5.837
99 H PHE 15 HN PHE 15 4.792 -4.756 4.218
100 HA PHE 15 HA PHE 15 7.328 -3.588 4.429
101 HB2 PHE 15 HB2 PHE 15 6.107 -5.909 3.134
102 HB3 PHE 15 HB1 PHE 15 7.481 -5.276 2.246
103 HD1 PHE 15 HD2 PHE 15 9.672 -5.010 3.467
104 HD2 PHE 15 HD1 PHE 15 6.395 -7.207 5.058
105 HE1 PHE 15 HE2 PHE 15 11.201 -6.158 5.009
106 HE2 PHE 15 HE1 PHE 15 7.918 -8.363 6.608
107 HZ PHE 15 HZ PHE 15 10.326 -7.840 6.585
108 H ARG 16 HN ARG 16 4.887 -3.503 1.896
109 HA ARG 16 HA ARG 16 6.356 -2.331 -0.150
110 HB2 ARG 16 HB2 ARG 16 3.435 -1.919 0.504
111 HB3 ARG 16 HB1 ARG 16 4.193 -1.584 -1.038
112 HG2 ARG 16 HG2 ARG 16 4.124 -4.292 0.225
113 HG3 ARG 16 HG1 ARG 16 2.928 -3.712 -0.935
114 HD2 ARG 16 HD2 ARG 16 4.373 -4.806 -2.340
115 HD3 ARG 16 HD1 ARG 16 5.066 -3.186 -2.371
116 HE ARG 16 HE ARG 16 6.384 -4.399 -0.338
117 HH11 ARG 16 HH11 ARG 16 5.826 -5.241 -3.679
118 HH12 ARG 16 HH12 ARG 16 7.312 -6.116 -3.836
119 HH21 ARG 16 HH21 ARG 16 8.338 -5.551 -0.543
120 HH22 ARG 16 HH22 ARG 16 8.738 -6.293 -2.056
121 H CYS 17 HN CYS 17 4.496 -0.732 2.438
122 HA CYS 17 HA CYS 17 5.157 1.881 1.541
123 HB2 CYS 17 HB2 CYS 17 3.967 0.767 4.041
124 HB3 CYS 17 HB1 CYS 17 4.521 2.435 4.013
125 H ARG 18 HN ARG 18 6.816 -0.457 3.407
126 HA ARG 18 HA ARG 18 8.538 1.211 4.885
127 HB2 ARG 18 HB2 ARG 18 8.188 -1.543 4.541
128 HB3 ARG 18 HB1 ARG 18 9.844 -1.214 4.001
129 HG2 ARG 18 HG2 ARG 18 9.882 0.157 6.285
130 HG3 ARG 18 HG1 ARG 18 8.632 -1.015 6.710
131 HD2 ARG 18 HD2 ARG 18 10.112 -2.847 6.223
132 HD3 ARG 18 HD1 ARG 18 11.340 -1.744 5.604
133 HE ARG 18 HE ARG 18 10.851 -0.967 8.207
134 HH11 ARG 18 HH11 ARG 18 11.997 -3.834 6.580
135 HH12 ARG 18 HH12 ARG 18 12.983 -4.345 7.909
136 HH21 ARG 18 HH21 ARG 18 12.147 -1.638 9.956
137 HH22 ARG 18 HH22 ARG 18 13.068 -3.099 9.825
138 H THR 19 HN THR 19 8.953 -0.478 1.876
139 HA THR 19 HA THR 19 11.315 1.153 1.299
140 HB THR 19 HB THR 19 11.866 -1.084 1.717
141 HG1 THR 19 HG1 THR 19 13.001 -0.481 -0.071
142 HG21 THR 19 HG21 THR 19 9.667 -1.878 -0.160
143 HG22 THR 19 HG22 THR 19 9.753 -2.135 1.587
144 HG23 THR 19 HG23 THR 19 10.875 -2.978 0.511
145 H SER 20 HN SER 20 8.293 -0.037 -0.054
146 HA SER 20 HA SER 20 8.906 1.210 -2.632
147 HB2 SER 20 HB2 SER 20 7.068 -0.913 -1.716
148 HB3 SER 20 HB1 SER 20 6.439 0.137 -2.985
149 HG SER 20 HG SER 20 7.600 -1.012 -4.291
150 H MET 21 HN MET 21 8.313 3.232 -2.996
151 HA MET 21 HA MET 21 6.433 4.592 -1.293
152 HB2 MET 21 HB2 MET 21 8.374 5.327 -3.381
153 HB3 MET 21 HB1 MET 21 6.942 6.344 -3.325
154 HG2 MET 21 HG2 MET 21 7.488 7.249 -1.328
155 HG3 MET 21 HG1 MET 21 8.273 5.782 -0.752
156 HE1 MET 21 HE1 MET 21 10.100 4.805 -2.159
157 HE2 MET 21 HE2 MET 21 11.557 5.628 -1.602
158 HE3 MET 21 HE3 MET 21 11.105 5.690 -3.306
159 H LYS 22 HN LYS 22 6.451 3.325 -4.566
160 HA LYS 22 HA LYS 22 4.175 4.570 -5.580
161 HB2 LYS 22 HB2 LYS 22 5.730 3.339 -6.981
162 HB3 LYS 22 HB1 LYS 22 5.304 1.834 -6.181
163 HG2 LYS 22 HG2 LYS 22 3.914 1.547 -7.900
164 HG3 LYS 22 HG1 LYS 22 2.874 2.695 -7.058
165 HD2 LYS 22 HD2 LYS 22 3.286 4.355 -8.537
166 HD3 LYS 22 HD1 LYS 22 4.969 3.874 -8.765
167 HE2 LYS 22 HE2 LYS 22 4.098 3.344 -10.819
168 HE3 LYS 22 HE1 LYS 22 3.888 1.812 -9.972
169 HZ1 LYS 22 HZ1 LYS 22 1.791 2.012 -10.698
170 HZ2 LYS 22 HZ2 LYS 22 1.897 3.684 -10.927
171 HZ3 LYS 22 HZ3 LYS 22 1.598 3.060 -9.383
172 H TYR 23 HN TYR 23 4.431 1.444 -3.907
173 HA TYR 23 HA TYR 23 1.736 0.714 -4.097
174 HB2 TYR 23 HB2 TYR 23 3.946 -0.028 -2.213
175 HB3 TYR 23 HB1 TYR 23 2.320 -0.664 -1.989
176 HD1 TYR 23 HD1 TYR 23 4.350 -0.085 -5.063
177 HD2 TYR 23 HD2 TYR 23 2.341 -2.882 -2.577
178 HE1 TYR 23 HE1 TYR 23 4.840 -1.871 -6.687
179 HE2 TYR 23 HE2 TYR 23 2.823 -4.675 -4.178
180 HH TYR 23 HH TYR 23 4.366 -5.189 -5.966
181 H ARG 24 HN ARG 24 3.301 2.945 -1.987
182 HA ARG 24 HA ARG 24 1.328 2.872 0.085
183 HB2 ARG 24 HB2 ARG 24 2.994 5.297 -0.222
184 HB3 ARG 24 HB1 ARG 24 2.646 4.349 1.212
185 HG2 ARG 24 HG2 ARG 24 4.194 2.597 0.280
186 HG3 ARG 24 HG1 ARG 24 4.665 3.784 -0.934
187 HD2 ARG 24 HD2 ARG 24 5.313 5.333 0.867
188 HD3 ARG 24 HD1 ARG 24 4.915 4.092 2.054
189 HE ARG 24 HE ARG 24 6.680 2.772 0.608
190 HH11 ARG 24 HH11 ARG 24 6.798 6.092 1.713
191 HH12 ARG 24 HH12 ARG 24 8.526 6.136 1.779
192 HH21 ARG 24 HH21 ARG 24 8.953 2.842 0.704
193 HH22 ARG 24 HH22 ARG 24 9.749 4.295 1.207
194 H LEU 25 HN LEU 25 2.159 5.472 -2.196
195 HA LEU 25 HA LEU 25 -0.430 6.701 -1.692
196 HB2 LEU 25 HB2 LEU 25 1.754 7.733 -3.477
197 HB3 LEU 25 HB1 LEU 25 0.466 8.644 -2.707
198 HG LEU 25 HG LEU 25 2.226 9.232 -1.364
199 HD11 LEU 25 HD11 LEU 25 1.689 8.474 0.679
200 HD12 LEU 25 HD12 LEU 25 1.944 6.786 0.241
201 HD13 LEU 25 HD13 LEU 25 0.429 7.587 -0.176
202 HD21 LEU 25 HD21 LEU 25 3.730 6.950 -0.735
203 HD22 LEU 25 HD22 LEU 25 4.198 8.304 -1.761
204 HD23 LEU 25 HD23 LEU 25 3.438 6.883 -2.473
205 H ASN 26 HN ASN 26 1.393 5.349 -4.390
206 HA ASN 26 HA ASN 26 -0.511 6.061 -6.366
207 HB2 ASN 26 HB2 ASN 26 2.038 5.328 -6.471
208 HB3 ASN 26 HB1 ASN 26 1.308 3.758 -6.808
209 HD21 ASN 26 HD21 ASN 26 2.487 6.482 -8.188
210 HD22 ASN 26 HD22 ASN 26 1.668 6.421 -9.709
211 H LEU 27 HN LEU 27 -0.024 3.105 -4.458
212 HA LEU 27 HA LEU 27 -2.307 1.897 -5.839
213 HB2 LEU 27 HB2 LEU 27 -0.113 0.806 -4.131
214 HB3 LEU 27 HB1 LEU 27 -1.617 -0.083 -4.255
215 HG LEU 27 HG LEU 27 -1.332 -0.093 -6.741
216 HD11 LEU 27 HD11 LEU 27 1.204 0.215 -7.330
217 HD12 LEU 27 HD12 LEU 27 1.161 1.326 -5.961
218 HD13 LEU 27 HD13 LEU 27 0.095 1.586 -7.341
219 HD21 LEU 27 HD21 LEU 27 1.051 -1.363 -5.458
220 HD22 LEU 27 HD22 LEU 27 -0.012 -1.993 -6.716
221 HD23 LEU 27 HD23 LEU 27 -0.578 -1.898 -5.049
222 H CYS 28 HN CYS 28 -1.933 0.655 -2.679
223 HA CYS 28 HA CYS 28 -4.463 1.867 -1.901
224 HB2 CYS 28 HB2 CYS 28 -4.364 0.261 -0.065
225 HB3 CYS 28 HB1 CYS 28 -4.063 -0.548 -1.607
226 H LYS 29 HN LYS 29 -4.747 3.059 -0.039
227 HA LYS 29 HA LYS 29 -2.462 4.601 0.802
228 HB2 LYS 29 HB2 LYS 29 -5.365 4.773 1.614
229 HB3 LYS 29 HB1 LYS 29 -4.113 5.922 2.071
230 HG2 LYS 29 HG2 LYS 29 -4.083 5.605 -0.764
231 HG3 LYS 29 HG1 LYS 29 -5.736 5.930 -0.235
232 HD2 LYS 29 HD2 LYS 29 -5.248 8.037 0.427
233 HD3 LYS 29 HD1 LYS 29 -3.642 7.593 1.009
234 HE2 LYS 29 HE2 LYS 29 -2.920 7.425 -1.382
235 HE3 LYS 29 HE1 LYS 29 -4.486 8.091 -1.841
236 HZ1 LYS 29 HZ1 LYS 29 -2.192 9.406 -0.628
237 HZ2 LYS 29 HZ2 LYS 29 -3.710 9.899 -0.070
238 HZ3 LYS 29 HZ3 LYS 29 -3.338 10.011 -1.716
239 H LYS 30 HN LYS 30 -4.988 2.762 2.488
240 HA LYS 30 HA LYS 30 -3.453 2.724 4.915
241 HB2 LYS 30 HB2 LYS 30 -5.818 2.980 5.099
242 HB3 LYS 30 HB1 LYS 30 -6.104 1.516 4.166
243 HG2 LYS 30 HG2 LYS 30 -6.479 0.836 6.345
244 HG3 LYS 30 HG1 LYS 30 -4.815 0.327 6.046
245 HD2 LYS 30 HD2 LYS 30 -3.944 1.843 7.483
246 HD3 LYS 30 HD1 LYS 30 -5.191 3.044 7.141
247 HE2 LYS 30 HE2 LYS 30 -6.733 1.298 8.371
248 HE3 LYS 30 HE1 LYS 30 -5.204 0.784 9.083
249 HZ1 LYS 30 HZ1 LYS 30 -6.139 2.395 10.515
250 HZ2 LYS 30 HZ2 LYS 30 -6.457 3.465 9.245
251 HZ3 LYS 30 HZ3 LYS 30 -4.861 3.163 9.715
252 H THR 31 HN THR 31 -4.736 0.097 2.835
253 HA THR 31 HA THR 31 -3.742 -2.019 4.237
254 HB THR 31 HB THR 31 -3.842 -1.837 1.230
255 HG1 THR 31 HG1 THR 31 -5.789 -2.631 3.134
256 HG21 THR 31 HG21 THR 31 -2.623 -3.805 2.229
257 HG22 THR 31 HG22 THR 31 -3.996 -4.175 1.182
258 HG23 THR 31 HG23 THR 31 -4.168 -4.276 2.933
259 H CYS 32 HN CYS 32 -1.910 0.124 2.198
260 HA CYS 32 HA CYS 32 0.407 -1.588 2.099
261 HB2 CYS 32 HB2 CYS 32 0.243 -0.030 0.317
262 HB3 CYS 32 HB1 CYS 32 0.010 1.325 1.414
263 H GLY 33 HN GLY 33 -0.950 0.420 4.431
264 HA2 GLY 33 HA2 GLY 33 -0.247 0.573 6.658
265 HA3 GLY 33 HA1 GLY 33 1.340 0.000 6.174
266 H THR 34 HN THR 34 -0.592 2.802 5.082
267 HA THR 34 HA THR 34 1.458 4.560 6.214
268 HB THR 34 HB THR 34 2.209 4.380 3.969
269 HG1 THR 34 HG1 THR 34 2.301 6.452 3.606
270 HG21 THR 34 HG21 THR 34 -0.535 5.083 2.987
271 HG22 THR 34 HG22 THR 34 0.155 3.458 2.961
272 HG23 THR 34 HG23 THR 34 0.896 4.748 2.015
273 H CYS 35 HN CYS 35 -1.787 4.194 4.893
274 HA CYS 35 HA CYS 35 -2.649 6.840 5.440
275 HB2 CYS 35 HB2 CYS 35 -3.814 5.257 3.897
276 HB3 CYS 35 HB1 CYS 35 -4.361 4.352 5.302
Start of MODEL 5
1 H1 ALA 2 HT1 ALA 2 -11.800 7.650 1.276
2 H2 ALA 2 HT2 ALA 2 -11.046 7.591 -0.265
3 H3 ALA 2 HT3 ALA 2 -12.027 8.933 0.163
4 HA ALA 2 HA ALA 2 -9.764 9.532 0.293
5 HB1 ALA 2 HB1 ALA 2 -11.453 9.367 2.718
6 HB2 ALA 2 HB2 ALA 2 -10.811 10.776 1.873
7 HB3 ALA 2 HB3 ALA 2 -9.768 9.838 2.942
8 H CYS 3 HN CYS 3 -10.475 6.863 2.544
9 HA CYS 3 HA CYS 3 -7.663 6.029 2.280
10 HB2 CYS 3 HB2 CYS 3 -8.055 7.017 4.502
11 HB3 CYS 3 HB1 CYS 3 -9.360 5.869 4.780
12 H LYS 4 HN LYS 4 -7.835 4.340 0.925
13 HA LYS 4 HA LYS 4 -9.288 2.003 1.866
14 HB2 LYS 4 HB2 LYS 4 -10.047 3.576 -0.517
15 HB3 LYS 4 HB1 LYS 4 -9.937 1.839 -0.768
16 HG2 LYS 4 HG2 LYS 4 -11.352 2.095 1.602
17 HG3 LYS 4 HG1 LYS 4 -11.971 3.391 0.577
18 HD2 LYS 4 HD2 LYS 4 -11.904 1.348 -1.193
19 HD3 LYS 4 HD1 LYS 4 -12.224 0.468 0.303
20 HE2 LYS 4 HE2 LYS 4 -14.308 1.290 0.485
21 HE3 LYS 4 HE1 LYS 4 -13.825 2.900 -0.048
22 HZ1 LYS 4 HZ1 LYS 4 -14.330 2.441 -2.175
23 HZ2 LYS 4 HZ2 LYS 4 -15.328 1.254 -1.500
24 HZ3 LYS 4 HZ3 LYS 4 -13.798 0.837 -2.089
25 H ASP 5 HN ASP 5 -8.928 0.249 -0.095
26 HA ASP 5 HA ASP 5 -6.049 0.336 -0.627
27 HB2 ASP 5 HB2 ASP 5 -5.985 -2.088 -0.334
28 HB3 ASP 5 HB1 ASP 5 -6.611 -1.297 1.106
29 H TYR 6 HN TYR 6 -5.483 0.291 -2.658
30 HA TYR 6 HA TYR 6 -7.404 -0.125 -4.742
31 HB2 TYR 6 HB2 TYR 6 -4.742 0.971 -4.496
32 HB3 TYR 6 HB1 TYR 6 -4.842 -0.090 -5.894
33 HD1 TYR 6 HD2 TYR 6 -7.111 2.431 -4.307
34 HD2 TYR 6 HD1 TYR 6 -5.203 1.059 -7.853
35 HE1 TYR 6 HE2 TYR 6 -8.198 4.231 -5.581
36 HE2 TYR 6 HE1 TYR 6 -6.283 2.857 -9.137
37 HH TYR 6 HH TYR 6 -7.358 5.443 -8.136
38 H LEU 7 HN LEU 7 -5.562 -2.264 -2.911
39 HA LEU 7 HA LEU 7 -6.091 -4.395 -4.828
40 HB2 LEU 7 HB2 LEU 7 -3.346 -3.668 -3.870
41 HB3 LEU 7 HB1 LEU 7 -3.732 -5.302 -4.316
42 HG LEU 7 HG LEU 7 -4.362 -3.179 -6.291
43 HD11 LEU 7 HD11 LEU 7 -2.265 -2.370 -6.113
44 HD12 LEU 7 HD12 LEU 7 -1.855 -3.814 -7.038
45 HD13 LEU 7 HD13 LEU 7 -1.666 -3.808 -5.284
46 HD21 LEU 7 HD21 LEU 7 -3.131 -5.271 -7.545
47 HD22 LEU 7 HD22 LEU 7 -4.872 -5.110 -7.312
48 HD23 LEU 7 HD23 LEU 7 -3.916 -6.070 -6.181
49 HA PRO 8 HA PRO 8 -6.850 -7.062 -1.429
50 HB2 PRO 8 HB2 PRO 8 -4.739 -8.929 -2.344
51 HB3 PRO 8 HB1 PRO 8 -6.463 -9.216 -2.068
52 HG2 PRO 8 HG2 PRO 8 -5.556 -9.057 -4.511
53 HG3 PRO 8 HG1 PRO 8 -7.075 -8.250 -4.070
54 HD2 PRO 8 HD2 PRO 8 -4.329 -7.048 -4.378
55 HD3 PRO 8 HD1 PRO 8 -5.867 -6.461 -5.035
56 H LYS 9 HN LYS 9 -5.994 -8.210 0.337
57 HA LYS 9 HA LYS 9 -4.162 -6.686 1.837
58 HB2 LYS 9 HB2 LYS 9 -4.946 -9.554 2.367
59 HB3 LYS 9 HB1 LYS 9 -4.360 -8.382 3.539
60 HG2 LYS 9 HG2 LYS 9 -6.392 -7.036 3.165
61 HG3 LYS 9 HG1 LYS 9 -6.983 -8.282 2.064
62 HD2 LYS 9 HD2 LYS 9 -6.323 -8.691 4.981
63 HD3 LYS 9 HD1 LYS 9 -7.947 -8.504 4.315
64 HE2 LYS 9 HE2 LYS 9 -7.643 -10.523 2.982
65 HE3 LYS 9 HE1 LYS 9 -6.003 -10.700 3.605
66 HZ1 LYS 9 HZ1 LYS 9 -7.036 -12.035 5.072
67 HZ2 LYS 9 HZ2 LYS 9 -8.545 -11.295 4.878
68 HZ3 LYS 9 HZ3 LYS 9 -7.378 -10.584 5.875
69 H SER 10 HN SER 10 -3.673 -9.225 -0.428
70 HA SER 10 HA SER 10 -1.059 -9.959 0.565
71 HB2 SER 10 HB2 SER 10 -2.919 -11.321 -0.866
72 HB3 SER 10 HB1 SER 10 -1.835 -10.802 -2.156
73 HG SER 10 HG SER 10 -0.231 -11.969 -1.307
74 H GLU 11 HN GLU 11 -2.386 -8.038 -2.101
75 HA GLU 11 HA GLU 11 0.093 -7.614 -3.419
76 HB2 GLU 11 HB2 GLU 11 -2.668 -6.803 -3.676
77 HB3 GLU 11 HB1 GLU 11 -1.601 -5.435 -3.952
78 HG2 GLU 11 HG2 GLU 11 -0.839 -7.914 -5.330
79 HG3 GLU 11 HG1 GLU 11 -2.377 -7.211 -5.833
80 H CYS 12 HN CYS 12 -1.728 -5.903 -0.984
81 HA CYS 12 HA CYS 12 0.338 -3.842 -0.823
82 HB2 CYS 12 HB2 CYS 12 -2.517 -4.039 -0.042
83 HB3 CYS 12 HB1 CYS 12 -1.489 -2.978 0.928
84 H THR 13 HN THR 13 1.966 -4.360 0.436
85 HA THR 13 HA THR 13 1.386 -5.688 3.002
86 HB THR 13 HB THR 13 3.789 -6.581 2.746
87 HG1 THR 13 HG1 THR 13 3.291 -5.969 0.027
88 HG21 THR 13 HG21 THR 13 1.882 -7.588 0.642
89 HG22 THR 13 HG22 THR 13 1.706 -7.948 2.363
90 HG23 THR 13 HG23 THR 13 3.144 -8.483 1.495
91 H GLN 14 HN GLN 14 2.425 -4.913 4.830
92 HA GLN 14 HA GLN 14 2.998 -2.236 5.055
93 HB2 GLN 14 HB2 GLN 14 4.379 -4.357 6.705
94 HB3 GLN 14 HB1 GLN 14 3.986 -2.711 7.187
95 HG2 GLN 14 HG2 GLN 14 2.090 -5.001 6.746
96 HG3 GLN 14 HG1 GLN 14 2.441 -4.158 8.253
97 HE21 GLN 14 HE21 GLN 14 0.562 -4.200 5.385
98 HE22 GLN 14 HE22 GLN 14 -0.366 -2.779 5.706
99 H PHE 15 HN PHE 15 5.014 -4.825 3.970
100 HA PHE 15 HA PHE 15 7.543 -3.643 4.090
101 HB2 PHE 15 HB2 PHE 15 6.264 -5.907 2.756
102 HB3 PHE 15 HB1 PHE 15 7.582 -5.226 1.822
103 HD1 PHE 15 HD2 PHE 15 9.833 -4.969 2.967
104 HD2 PHE 15 HD1 PHE 15 6.670 -7.327 4.559
105 HE1 PHE 15 HE2 PHE 15 11.450 -6.182 4.362
106 HE2 PHE 15 HE1 PHE 15 8.283 -8.549 5.961
107 HZ PHE 15 HZ PHE 15 10.677 -7.978 5.864
108 H ARG 16 HN ARG 16 4.970 -3.423 1.710
109 HA ARG 16 HA ARG 16 6.379 -2.144 -0.338
110 HB2 ARG 16 HB2 ARG 16 3.465 -1.717 0.317
111 HB3 ARG 16 HB1 ARG 16 4.238 -1.561 -1.245
112 HG2 ARG 16 HG2 ARG 16 3.978 -4.119 0.287
113 HG3 ARG 16 HG1 ARG 16 2.924 -3.611 -1.032
114 HD2 ARG 16 HD2 ARG 16 5.149 -3.385 -2.360
115 HD3 ARG 16 HD1 ARG 16 5.797 -4.441 -1.106
116 HE ARG 16 HE ARG 16 3.369 -5.380 -2.360
117 HH11 ARG 16 HH11 ARG 16 6.861 -5.415 -2.414
118 HH12 ARG 16 HH12 ARG 16 6.955 -6.899 -3.300
119 HH21 ARG 16 HH21 ARG 16 3.494 -7.331 -3.524
120 HH22 ARG 16 HH22 ARG 16 5.045 -7.987 -3.931
121 H CYS 17 HN CYS 17 4.562 -0.744 2.387
122 HA CYS 17 HA CYS 17 5.063 1.937 1.591
123 HB2 CYS 17 HB2 CYS 17 4.061 0.651 4.093
124 HB3 CYS 17 HB1 CYS 17 4.534 2.344 4.114
125 H ARG 18 HN ARG 18 6.911 -0.411 3.270
126 HA ARG 18 HA ARG 18 8.630 1.273 4.738
127 HB2 ARG 18 HB2 ARG 18 8.367 -1.481 4.304
128 HB3 ARG 18 HB1 ARG 18 9.990 -1.068 3.722
129 HG2 ARG 18 HG2 ARG 18 10.545 -0.122 5.876
130 HG3 ARG 18 HG1 ARG 18 8.903 -0.390 6.463
131 HD2 ARG 18 HD2 ARG 18 9.741 -2.306 7.280
132 HD3 ARG 18 HD1 ARG 18 9.581 -2.883 5.621
133 HE ARG 18 HE ARG 18 12.084 -1.585 6.088
134 HH11 ARG 18 HH11 ARG 18 10.359 -4.594 6.476
135 HH12 ARG 18 HH12 ARG 18 11.795 -5.561 6.483
136 HH21 ARG 18 HH21 ARG 18 13.974 -2.855 6.099
137 HH22 ARG 18 HH22 ARG 18 13.848 -4.574 6.270
138 H THR 19 HN THR 19 8.981 -0.298 1.657
139 HA THR 19 HA THR 19 11.255 1.441 1.046
140 HB THR 19 HB THR 19 11.907 -0.783 1.365
141 HG1 THR 19 HG1 THR 19 13.005 -0.903 -0.436
142 HG21 THR 19 HG21 THR 19 9.840 -1.919 1.284
143 HG22 THR 19 HG22 THR 19 10.944 -2.675 0.126
144 HG23 THR 19 HG23 THR 19 9.663 -1.601 -0.444
145 H SER 20 HN SER 20 8.226 0.185 -0.228
146 HA SER 20 HA SER 20 8.691 1.531 -2.786
147 HB2 SER 20 HB2 SER 20 6.854 -0.611 -1.841
148 HB3 SER 20 HB1 SER 20 6.292 0.417 -3.160
149 HG SER 20 HG SER 20 8.766 -0.976 -3.127
150 H MET 21 HN MET 21 8.055 3.558 -3.033
151 HA MET 21 HA MET 21 6.196 4.799 -1.221
152 HB2 MET 21 HB2 MET 21 8.076 5.666 -3.301
153 HB3 MET 21 HB1 MET 21 6.611 6.634 -3.218
154 HG2 MET 21 HG2 MET 21 7.112 7.477 -1.172
155 HG3 MET 21 HG1 MET 21 8.007 6.042 -0.676
156 HE1 MET 21 HE1 MET 21 9.233 9.152 -0.118
157 HE2 MET 21 HE2 MET 21 10.865 8.503 -0.279
158 HE3 MET 21 HE3 MET 21 9.603 7.537 0.485
159 H LYS 22 HN LYS 22 6.125 3.635 -4.530
160 HA LYS 22 HA LYS 22 3.766 4.890 -5.381
161 HB2 LYS 22 HB2 LYS 22 5.343 3.832 -6.916
162 HB3 LYS 22 HB1 LYS 22 4.958 2.253 -6.248
163 HG2 LYS 22 HG2 LYS 22 3.557 2.122 -7.986
164 HG3 LYS 22 HG1 LYS 22 2.497 3.106 -6.977
165 HD2 LYS 22 HD2 LYS 22 2.470 4.491 -8.749
166 HD3 LYS 22 HD1 LYS 22 4.041 5.016 -8.140
167 HE2 LYS 22 HE2 LYS 22 4.932 3.023 -9.576
168 HE3 LYS 22 HE1 LYS 22 3.396 3.201 -10.422
169 HZ1 LYS 22 HZ1 LYS 22 3.987 5.593 -10.712
170 HZ2 LYS 22 HZ2 LYS 22 4.988 4.518 -11.550
171 HZ3 LYS 22 HZ3 LYS 22 5.531 5.236 -10.118
172 H TYR 23 HN TYR 23 4.259 1.778 -3.769
173 HA TYR 23 HA TYR 23 1.594 0.872 -3.985
174 HB2 TYR 23 HB2 TYR 23 3.886 0.159 -2.186
175 HB3 TYR 23 HB1 TYR 23 2.305 -0.586 -1.984
176 HD1 TYR 23 HD2 TYR 23 4.264 0.290 -5.036
177 HD2 TYR 23 HD1 TYR 23 2.445 -2.762 -2.706
178 HE1 TYR 23 HE2 TYR 23 4.834 -1.364 -6.768
179 HE2 TYR 23 HE1 TYR 23 3.010 -4.424 -4.418
180 HH TYR 23 HH TYR 23 5.203 -3.844 -6.895
181 H ARG 24 HN ARG 24 3.106 3.085 -1.823
182 HA ARG 24 HA ARG 24 1.201 2.820 0.300
183 HB2 ARG 24 HB2 ARG 24 2.724 5.335 0.114
184 HB3 ARG 24 HB1 ARG 24 2.520 4.244 1.471
185 HG2 ARG 24 HG2 ARG 24 4.121 2.690 0.289
186 HG3 ARG 24 HG1 ARG 24 4.450 4.023 -0.814
187 HD2 ARG 24 HD2 ARG 24 5.131 5.419 1.073
188 HD3 ARG 24 HD1 ARG 24 4.817 4.081 2.177
189 HE ARG 24 HE ARG 24 6.572 2.930 0.594
190 HH11 ARG 24 HH11 ARG 24 6.620 6.182 1.889
191 HH12 ARG 24 HH12 ARG 24 8.347 6.287 1.887
192 HH21 ARG 24 HH21 ARG 24 8.841 3.077 0.606
193 HH22 ARG 24 HH22 ARG 24 9.607 4.527 1.162
194 H LEU 25 HN LEU 25 1.861 5.557 -1.877
195 HA LEU 25 HA LEU 25 -0.753 6.661 -1.231
196 HB2 LEU 25 HB2 LEU 25 1.327 7.855 -3.040
197 HB3 LEU 25 HB1 LEU 25 0.032 8.680 -2.188
198 HG LEU 25 HG LEU 25 1.820 9.277 -0.883
199 HD11 LEU 25 HD11 LEU 25 1.658 6.758 0.626
200 HD12 LEU 25 HD12 LEU 25 0.111 7.537 0.294
201 HD13 LEU 25 HD13 LEU 25 1.376 8.420 1.145
202 HD21 LEU 25 HD21 LEU 25 3.812 8.430 -1.348
203 HD22 LEU 25 HD22 LEU 25 3.075 7.036 -2.137
204 HD23 LEU 25 HD23 LEU 25 3.401 6.999 -0.403
205 H ASN 26 HN ASN 26 1.020 5.530 -4.070
206 HA ASN 26 HA ASN 26 -1.002 6.252 -5.922
207 HB2 ASN 26 HB2 ASN 26 1.584 5.612 -6.153
208 HB3 ASN 26 HB1 ASN 26 0.870 4.065 -6.608
209 HD21 ASN 26 HD21 ASN 26 0.103 3.821 -8.606
210 HD22 ASN 26 HD22 ASN 26 -0.053 5.085 -9.773
211 H LEU 27 HN LEU 27 -0.294 3.230 -4.200
212 HA LEU 27 HA LEU 27 -2.553 1.963 -5.562
213 HB2 LEU 27 HB2 LEU 27 -0.247 0.954 -3.973
214 HB3 LEU 27 HB1 LEU 27 -1.714 -0.002 -3.989
215 HG LEU 27 HG LEU 27 -1.606 -0.032 -6.481
216 HD11 LEU 27 HD11 LEU 27 0.287 0.702 -7.649
217 HD12 LEU 27 HD12 LEU 27 1.213 0.945 -6.167
218 HD13 LEU 27 HD13 LEU 27 -0.121 2.029 -6.561
219 HD21 LEU 27 HD21 LEU 27 -0.021 -1.787 -6.578
220 HD22 LEU 27 HD22 LEU 27 -0.727 -1.834 -4.962
221 HD23 LEU 27 HD23 LEU 27 0.879 -1.145 -5.203
222 H CYS 28 HN CYS 28 -2.053 0.673 -2.432
223 HA CYS 28 HA CYS 28 -4.627 1.748 -1.587
224 HB2 CYS 28 HB2 CYS 28 -4.429 0.084 0.200
225 HB3 CYS 28 HB1 CYS 28 -4.155 -0.657 -1.380
226 H LYS 29 HN LYS 29 -4.922 2.864 0.324
227 HA LYS 29 HA LYS 29 -2.674 4.445 1.191
228 HB2 LYS 29 HB2 LYS 29 -5.578 4.493 2.019
229 HB3 LYS 29 HB1 LYS 29 -4.360 5.643 2.558
230 HG2 LYS 29 HG2 LYS 29 -4.380 5.439 -0.319
231 HG3 LYS 29 HG1 LYS 29 -5.985 5.835 0.304
232 HD2 LYS 29 HD2 LYS 29 -5.359 7.905 0.897
233 HD3 LYS 29 HD1 LYS 29 -3.845 7.337 1.603
234 HE2 LYS 29 HE2 LYS 29 -2.902 8.431 -0.119
235 HE3 LYS 29 HE1 LYS 29 -3.343 6.994 -1.039
236 HZ1 LYS 29 HZ1 LYS 29 -4.016 9.140 -2.069
237 HZ2 LYS 29 HZ2 LYS 29 -5.093 9.376 -0.786
238 HZ3 LYS 29 HZ3 LYS 29 -5.296 8.060 -1.828
239 H LYS 30 HN LYS 30 -5.116 2.466 2.836
240 HA LYS 30 HA LYS 30 -3.541 2.375 5.235
241 HB2 LYS 30 HB2 LYS 30 -5.907 2.557 5.469
242 HB3 LYS 30 HB1 LYS 30 -6.169 1.124 4.483
243 HG2 LYS 30 HG2 LYS 30 -6.489 0.376 6.659
244 HG3 LYS 30 HG1 LYS 30 -4.839 -0.122 6.272
245 HD2 LYS 30 HD2 LYS 30 -4.327 0.851 8.227
246 HD3 LYS 30 HD1 LYS 30 -4.410 2.349 7.299
247 HE2 LYS 30 HE2 LYS 30 -7.001 1.425 8.295
248 HE3 LYS 30 HE1 LYS 30 -5.842 1.802 9.569
249 HZ1 LYS 30 HZ1 LYS 30 -7.351 3.656 8.637
250 HZ2 LYS 30 HZ2 LYS 30 -6.253 3.694 7.351
251 HZ3 LYS 30 HZ3 LYS 30 -5.718 3.996 8.927
252 H THR 31 HN THR 31 -4.782 -0.202 3.062
253 HA THR 31 HA THR 31 -3.708 -2.343 4.363
254 HB THR 31 HB THR 31 -3.852 -2.039 1.368
255 HG1 THR 31 HG1 THR 31 -5.749 -2.898 3.291
256 HG21 THR 31 HG21 THR 31 -3.953 -4.383 1.232
257 HG22 THR 31 HG22 THR 31 -4.072 -4.551 2.982
258 HG23 THR 31 HG23 THR 31 -2.562 -4.008 2.253
259 H CYS 32 HN CYS 32 -1.963 -0.063 2.396
260 HA CYS 32 HA CYS 32 0.398 -1.706 2.198
261 HB2 CYS 32 HB2 CYS 32 0.148 -0.061 0.489
262 HB3 CYS 32 HB1 CYS 32 -0.055 1.234 1.663
263 H GLY 33 HN GLY 33 -0.985 0.163 4.625
264 HA2 GLY 33 HA2 GLY 33 -0.265 0.246 6.850
265 HA3 GLY 33 HA1 GLY 33 1.330 -0.269 6.329
266 H THR 34 HN THR 34 -0.651 2.524 5.315
267 HA THR 34 HA THR 34 1.367 4.283 6.511
268 HB THR 34 HB THR 34 2.063 4.186 4.233
269 HG1 THR 34 HG1 THR 34 1.946 6.287 5.171
270 HG21 THR 34 HG21 THR 34 -0.715 4.931 3.381
271 HG22 THR 34 HG22 THR 34 -0.001 3.324 3.221
272 HG23 THR 34 HG23 THR 34 0.688 4.688 2.341
273 H CYS 35 HN CYS 35 -1.902 3.876 5.277
274 HA CYS 35 HA CYS 35 -2.805 6.489 5.912
275 HB2 CYS 35 HB2 CYS 35 -3.988 4.921 4.370
276 HB3 CYS 35 HB1 CYS 35 -4.469 3.970 5.770
Start of MODEL 6
1 H1 ALA 2 HT1 ALA 2 -12.783 5.503 4.971
2 H2 ALA 2 HT2 ALA 2 -12.623 6.458 6.389
3 H3 ALA 2 HT3 ALA 2 -11.256 5.649 5.736
4 HA ALA 2 HA ALA 2 -12.786 7.771 4.392
5 HB1 ALA 2 HB1 ALA 2 -10.486 8.954 4.818
6 HB2 ALA 2 HB2 ALA 2 -10.391 7.819 6.164
7 HB3 ALA 2 HB3 ALA 2 -11.739 8.950 6.058
8 H CYS 3 HN CYS 3 -9.665 6.045 4.535
9 HA CYS 3 HA CYS 3 -9.402 6.394 1.636
10 HB2 CYS 3 HB2 CYS 3 -7.042 5.636 2.022
11 HB3 CYS 3 HB1 CYS 3 -7.467 7.128 2.853
12 H LYS 4 HN LYS 4 -8.583 4.558 0.366
13 HA LYS 4 HA LYS 4 -9.385 1.949 1.463
14 HB2 LYS 4 HB2 LYS 4 -10.040 2.965 -1.309
15 HB3 LYS 4 HB1 LYS 4 -10.415 1.364 -0.685
16 HG2 LYS 4 HG2 LYS 4 -11.432 3.602 0.923
17 HG3 LYS 4 HG1 LYS 4 -12.134 3.443 -0.688
18 HD2 LYS 4 HD2 LYS 4 -12.393 0.942 -0.057
19 HD3 LYS 4 HD1 LYS 4 -12.189 1.512 1.600
20 HE2 LYS 4 HE2 LYS 4 -14.085 2.999 1.355
21 HE3 LYS 4 HE1 LYS 4 -14.256 2.541 -0.339
22 HZ1 LYS 4 HZ1 LYS 4 -15.638 1.412 1.621
23 HZ2 LYS 4 HZ2 LYS 4 -14.310 0.365 1.588
24 HZ3 LYS 4 HZ3 LYS 4 -15.236 0.599 0.192
25 H ASP 5 HN ASP 5 -8.776 0.261 -0.474
26 HA ASP 5 HA ASP 5 -5.964 0.799 -1.106
27 HB2 ASP 5 HB2 ASP 5 -5.514 -1.590 -0.729
28 HB3 ASP 5 HB1 ASP 5 -6.153 -0.814 0.716
29 H TYR 6 HN TYR 6 -5.368 0.554 -3.136
30 HA TYR 6 HA TYR 6 -7.270 -0.003 -5.171
31 HB2 TYR 6 HB2 TYR 6 -4.722 1.184 -5.022
32 HB3 TYR 6 HB1 TYR 6 -4.551 -0.176 -6.127
33 HD1 TYR 6 HD1 TYR 6 -6.979 2.595 -5.462
34 HD2 TYR 6 HD2 TYR 6 -4.912 0.261 -8.357
35 HE1 TYR 6 HE1 TYR 6 -7.988 3.939 -7.257
36 HE2 TYR 6 HE2 TYR 6 -5.915 1.598 -10.161
37 HH TYR 6 HH TYR 6 -8.486 3.807 -9.600
38 H LEU 7 HN LEU 7 -5.380 -2.038 -3.235
39 HA LEU 7 HA LEU 7 -5.992 -4.297 -4.994
40 HB2 LEU 7 HB2 LEU 7 -3.297 -3.479 -4.019
41 HB3 LEU 7 HB1 LEU 7 -3.642 -5.171 -4.154
42 HG LEU 7 HG LEU 7 -4.261 -3.475 -6.502
43 HD11 LEU 7 HD11 LEU 7 -2.190 -2.599 -6.441
44 HD12 LEU 7 HD12 LEU 7 -1.731 -4.178 -7.079
45 HD13 LEU 7 HD13 LEU 7 -1.581 -3.847 -5.353
46 HD21 LEU 7 HD21 LEU 7 -4.714 -5.555 -7.184
47 HD22 LEU 7 HD22 LEU 7 -3.772 -6.288 -5.889
48 HD23 LEU 7 HD23 LEU 7 -2.967 -5.721 -7.349
49 HA PRO 8 HA PRO 8 -6.896 -6.348 -1.194
50 HB2 PRO 8 HB2 PRO 8 -6.237 -8.890 -1.551
51 HB3 PRO 8 HB1 PRO 8 -7.454 -8.118 -2.578
52 HG2 PRO 8 HG2 PRO 8 -4.598 -8.719 -3.138
53 HG3 PRO 8 HG1 PRO 8 -6.007 -8.863 -4.202
54 HD2 PRO 8 HD2 PRO 8 -4.212 -6.747 -4.172
55 HD3 PRO 8 HD1 PRO 8 -5.817 -6.670 -4.888
56 H LYS 9 HN LYS 9 -6.125 -7.610 0.609
57 HA LYS 9 HA LYS 9 -3.887 -6.521 1.808
58 HB2 LYS 9 HB2 LYS 9 -5.123 -9.197 2.462
59 HB3 LYS 9 HB1 LYS 9 -4.143 -8.209 3.537
60 HG2 LYS 9 HG2 LYS 9 -5.829 -6.732 3.950
61 HG3 LYS 9 HG1 LYS 9 -6.599 -7.002 2.385
62 HD2 LYS 9 HD2 LYS 9 -6.539 -9.083 4.559
63 HD3 LYS 9 HD1 LYS 9 -7.834 -7.895 4.406
64 HE2 LYS 9 HE2 LYS 9 -8.707 -8.882 2.563
65 HE3 LYS 9 HE1 LYS 9 -7.131 -9.393 1.960
66 HZ1 LYS 9 HZ1 LYS 9 -7.260 -11.350 3.030
67 HZ2 LYS 9 HZ2 LYS 9 -8.926 -11.060 2.996
68 HZ3 LYS 9 HZ3 LYS 9 -8.035 -10.701 4.388
69 H SER 10 HN SER 10 -4.028 -9.132 -0.439
70 HA SER 10 HA SER 10 -1.522 -10.306 0.339
71 HB2 SER 10 HB2 SER 10 -1.819 -11.773 -1.551
72 HB3 SER 10 HB1 SER 10 -3.375 -11.594 -0.741
73 HG SER 10 HG SER 10 -2.729 -11.025 -3.275
74 H GLU 11 HN GLU 11 -2.460 -7.663 -1.675
75 HA GLU 11 HA GLU 11 0.081 -7.725 -3.134
76 HB2 GLU 11 HB2 GLU 11 -2.586 -6.667 -3.571
77 HB3 GLU 11 HB1 GLU 11 -1.352 -5.468 -3.907
78 HG2 GLU 11 HG2 GLU 11 -0.715 -8.047 -5.067
79 HG3 GLU 11 HG1 GLU 11 -2.286 -7.446 -5.606
80 H CYS 12 HN CYS 12 -1.771 -5.775 -0.896
81 HA CYS 12 HA CYS 12 0.401 -3.836 -0.720
82 HB2 CYS 12 HB2 CYS 12 -2.490 -3.859 -0.090
83 HB3 CYS 12 HB1 CYS 12 -1.472 -2.822 0.917
84 H THR 13 HN THR 13 1.953 -4.369 0.630
85 HA THR 13 HA THR 13 1.210 -5.555 3.224
86 HB THR 13 HB THR 13 3.612 -6.468 3.158
87 HG1 THR 13 HG1 THR 13 4.734 -5.865 1.521
88 HG21 THR 13 HG21 THR 13 1.530 -7.821 2.641
89 HG22 THR 13 HG22 THR 13 3.046 -8.414 1.965
90 HG23 THR 13 HG23 THR 13 1.899 -7.551 0.935
91 H GLN 14 HN GLN 14 2.154 -4.704 5.079
92 HA GLN 14 HA GLN 14 2.734 -2.015 5.197
93 HB2 GLN 14 HB2 GLN 14 3.580 -4.284 6.994
94 HB3 GLN 14 HB1 GLN 14 3.968 -2.609 7.365
95 HG2 GLN 14 HG2 GLN 14 2.027 -3.032 8.573
96 HG3 GLN 14 HG1 GLN 14 1.466 -2.162 7.146
97 HE21 GLN 14 HE21 GLN 14 0.209 -3.215 5.632
98 HE22 GLN 14 HE22 GLN 14 -0.472 -4.779 5.907
99 H PHE 15 HN PHE 15 4.768 -4.673 4.351
100 HA PHE 15 HA PHE 15 7.301 -3.498 4.574
101 HB2 PHE 15 HB2 PHE 15 6.094 -5.836 3.295
102 HB3 PHE 15 HB1 PHE 15 7.476 -5.212 2.413
103 HD1 PHE 15 HD2 PHE 15 9.662 -4.961 3.622
104 HD2 PHE 15 HD1 PHE 15 6.359 -7.079 5.266
105 HE1 PHE 15 HE2 PHE 15 11.178 -6.091 5.190
106 HE2 PHE 15 HE1 PHE 15 7.869 -8.217 6.842
107 HZ PHE 15 HZ PHE 15 10.283 -7.724 6.806
108 H ARG 16 HN ARG 16 4.899 -3.476 1.996
109 HA ARG 16 HA ARG 16 6.375 -2.327 -0.048
110 HB2 ARG 16 HB2 ARG 16 3.453 -1.918 0.601
111 HB3 ARG 16 HB1 ARG 16 4.207 -1.539 -0.934
112 HG2 ARG 16 HG2 ARG 16 4.174 -4.280 0.264
113 HG3 ARG 16 HG1 ARG 16 2.959 -3.686 -0.867
114 HD2 ARG 16 HD2 ARG 16 4.395 -4.716 -2.323
115 HD3 ARG 16 HD1 ARG 16 5.085 -3.094 -2.305
116 HE ARG 16 HE ARG 16 6.948 -3.928 -1.262
117 HH11 ARG 16 HH11 ARG 16 4.402 -6.311 -1.121
118 HH12 ARG 16 HH12 ARG 16 5.434 -7.560 -0.512
119 HH21 ARG 16 HH21 ARG 16 8.307 -5.571 -0.459
120 HH22 ARG 16 HH22 ARG 16 7.650 -7.140 -0.135
121 H CYS 17 HN CYS 17 4.491 -0.665 2.483
122 HA CYS 17 HA CYS 17 5.191 1.917 1.551
123 HB2 CYS 17 HB2 CYS 17 3.968 0.870 4.064
124 HB3 CYS 17 HB1 CYS 17 4.528 2.535 3.997
125 H ARG 18 HN ARG 18 6.793 -0.386 3.520
126 HA ARG 18 HA ARG 18 8.517 1.291 4.970
127 HB2 ARG 18 HB2 ARG 18 8.169 -1.469 4.643
128 HB3 ARG 18 HB1 ARG 18 9.835 -1.141 4.136
129 HG2 ARG 18 HG2 ARG 18 10.113 0.089 6.327
130 HG3 ARG 18 HG1 ARG 18 8.552 -0.578 6.811
131 HD2 ARG 18 HD2 ARG 18 9.397 -2.832 6.534
132 HD3 ARG 18 HD1 ARG 18 10.936 -2.209 5.942
133 HE ARG 18 HE ARG 18 10.141 -2.492 8.658
134 HH11 ARG 18 HH11 ARG 18 12.019 -0.485 6.509
135 HH12 ARG 18 HH12 ARG 18 13.090 0.063 7.754
136 HH21 ARG 18 HH21 ARG 18 11.550 -1.774 10.298
137 HH22 ARG 18 HH22 ARG 18 12.825 -0.669 9.906
138 H THR 19 HN THR 19 8.954 -0.429 1.981
139 HA THR 19 HA THR 19 11.323 1.194 1.413
140 HB THR 19 HB THR 19 11.869 -1.037 1.861
141 HG1 THR 19 HG1 THR 19 13.110 -0.771 0.160
142 HG21 THR 19 HG21 THR 19 9.743 -2.078 1.708
143 HG22 THR 19 HG22 THR 19 10.895 -2.949 0.686
144 HG23 THR 19 HG23 THR 19 9.708 -1.865 -0.046
145 H SER 20 HN SER 20 8.315 -0.005 0.031
146 HA SER 20 HA SER 20 8.963 1.250 -2.540
147 HB2 SER 20 HB2 SER 20 7.834 -1.152 -2.062
148 HB3 SER 20 HB1 SER 20 6.381 -0.163 -2.208
149 HG SER 20 HG SER 20 6.688 -0.358 -4.271
150 H MET 21 HN MET 21 8.295 3.241 -2.950
151 HA MET 21 HA MET 21 6.375 4.561 -1.263
152 HB2 MET 21 HB2 MET 21 8.313 5.331 -3.328
153 HB3 MET 21 HB1 MET 21 6.841 6.293 -3.337
154 HG2 MET 21 HG2 MET 21 7.204 7.090 -1.180
155 HG3 MET 21 HG1 MET 21 8.366 5.818 -0.808
156 HE1 MET 21 HE1 MET 21 8.983 8.352 0.151
157 HE2 MET 21 HE2 MET 21 10.320 9.205 -0.622
158 HE3 MET 21 HE3 MET 21 10.554 7.567 -0.010
159 H LYS 22 HN LYS 22 6.446 3.381 -4.590
160 HA LYS 22 HA LYS 22 4.142 4.523 -5.589
161 HB2 LYS 22 HB2 LYS 22 5.692 3.254 -6.968
162 HB3 LYS 22 HB1 LYS 22 5.256 1.769 -6.134
163 HG2 LYS 22 HG2 LYS 22 2.867 2.267 -6.962
164 HG3 LYS 22 HG1 LYS 22 3.657 3.369 -8.090
165 HD2 LYS 22 HD2 LYS 22 5.145 1.030 -8.257
166 HD3 LYS 22 HD1 LYS 22 3.474 0.475 -8.136
167 HE2 LYS 22 HE2 LYS 22 3.891 0.745 -10.440
168 HE3 LYS 22 HE1 LYS 22 2.933 2.146 -9.961
169 HZ1 LYS 22 HZ1 LYS 22 4.630 3.549 -10.351
170 HZ2 LYS 22 HZ2 LYS 22 5.182 2.314 -11.367
171 HZ3 LYS 22 HZ3 LYS 22 5.814 2.470 -9.806
172 H TYR 23 HN TYR 23 4.386 1.340 -4.009
173 HA TYR 23 HA TYR 23 1.716 0.625 -4.108
174 HB2 TYR 23 HB2 TYR 23 3.935 -0.043 -2.211
175 HB3 TYR 23 HB1 TYR 23 2.311 -0.660 -1.931
176 HD1 TYR 23 HD2 TYR 23 4.372 -0.242 -5.013
177 HD2 TYR 23 HD1 TYR 23 2.226 -2.884 -2.472
178 HE1 TYR 23 HE2 TYR 23 4.822 -2.096 -6.572
179 HE2 TYR 23 HE1 TYR 23 2.669 -4.745 -4.008
180 HH TYR 23 HH TYR 23 4.968 -4.723 -6.312
181 H ARG 24 HN ARG 24 3.305 2.844 -1.976
182 HA ARG 24 HA ARG 24 1.288 2.881 0.041
183 HB2 ARG 24 HB2 ARG 24 3.016 5.261 -0.339
184 HB3 ARG 24 HB1 ARG 24 2.588 4.412 1.135
185 HG2 ARG 24 HG2 ARG 24 4.116 2.573 0.401
186 HG3 ARG 24 HG1 ARG 24 4.647 3.627 -0.906
187 HD2 ARG 24 HD2 ARG 24 5.244 5.334 0.810
188 HD3 ARG 24 HD1 ARG 24 4.888 4.135 2.053
189 HE ARG 24 HE ARG 24 6.665 2.797 0.632
190 HH11 ARG 24 HH11 ARG 24 6.720 6.153 1.627
191 HH12 ARG 24 HH12 ARG 24 8.447 6.238 1.668
192 HH21 ARG 24 HH21 ARG 24 8.935 2.920 0.697
193 HH22 ARG 24 HH22 ARG 24 9.705 4.405 1.142
194 H LEU 25 HN LEU 25 2.194 5.399 -2.303
195 HA LEU 25 HA LEU 25 -0.386 6.681 -1.886
196 HB2 LEU 25 HB2 LEU 25 1.833 7.628 -3.674
197 HB3 LEU 25 HB1 LEU 25 0.555 8.579 -2.935
198 HG LEU 25 HG LEU 25 2.315 9.175 -1.597
199 HD11 LEU 25 HD11 LEU 25 1.764 8.473 0.463
200 HD12 LEU 25 HD12 LEU 25 1.991 6.771 0.063
201 HD13 LEU 25 HD13 LEU 25 0.491 7.589 -0.376
202 HD21 LEU 25 HD21 LEU 25 3.779 6.875 -0.914
203 HD22 LEU 25 HD22 LEU 25 4.279 8.213 -1.946
204 HD23 LEU 25 HD23 LEU 25 3.505 6.798 -2.655
205 H ASN 26 HN ASN 26 1.463 5.202 -4.496
206 HA ASN 26 HA ASN 26 -0.377 5.881 -6.543
207 HB2 ASN 26 HB2 ASN 26 2.150 5.125 -6.579
208 HB3 ASN 26 HB1 ASN 26 1.429 3.533 -6.820
209 HD21 ASN 26 HD21 ASN 26 -0.493 3.697 -8.481
210 HD22 ASN 26 HD22 ASN 26 -0.078 4.485 -9.961
211 H LEU 27 HN LEU 27 -0.001 2.973 -4.532
212 HA LEU 27 HA LEU 27 -2.292 1.788 -5.928
213 HB2 LEU 27 HB2 LEU 27 -0.123 0.675 -4.209
214 HB3 LEU 27 HB1 LEU 27 -1.648 -0.181 -4.300
215 HG LEU 27 HG LEU 27 -1.392 -0.268 -6.779
216 HD11 LEU 27 HD11 LEU 27 0.075 1.572 -7.170
217 HD12 LEU 27 HD12 LEU 27 0.909 0.096 -7.656
218 HD13 LEU 27 HD13 LEU 27 1.314 0.875 -6.126
219 HD21 LEU 27 HD21 LEU 27 0.986 -1.518 -5.454
220 HD22 LEU 27 HD22 LEU 27 -0.044 -2.166 -6.730
221 HD23 LEU 27 HD23 LEU 27 -0.655 -2.046 -5.080
222 H CYS 28 HN CYS 28 -1.912 0.610 -2.732
223 HA CYS 28 HA CYS 28 -4.449 1.825 -1.980
224 HB2 CYS 28 HB2 CYS 28 -4.377 0.247 -0.138
225 HB3 CYS 28 HB1 CYS 28 -3.997 -0.594 -1.644
226 H LYS 29 HN LYS 29 -4.741 3.052 -0.137
227 HA LYS 29 HA LYS 29 -2.463 4.623 0.672
228 HB2 LYS 29 HB2 LYS 29 -5.386 4.789 1.402
229 HB3 LYS 29 HB1 LYS 29 -4.159 5.910 1.979
230 HG2 LYS 29 HG2 LYS 29 -4.032 5.664 -0.885
231 HG3 LYS 29 HG1 LYS 29 -5.664 6.093 -0.365
232 HD2 LYS 29 HD2 LYS 29 -5.031 8.134 0.386
233 HD3 LYS 29 HD1 LYS 29 -3.458 7.558 0.941
234 HE2 LYS 29 HE2 LYS 29 -3.071 7.303 -1.678
235 HE3 LYS 29 HE1 LYS 29 -4.283 8.582 -1.719
236 HZ1 LYS 29 HZ1 LYS 29 -1.701 9.067 -1.482
237 HZ2 LYS 29 HZ2 LYS 29 -2.082 8.922 0.160
238 HZ3 LYS 29 HZ3 LYS 29 -2.878 10.070 -0.793
239 H LYS 30 HN LYS 30 -4.985 2.818 2.401
240 HA LYS 30 HA LYS 30 -3.441 2.830 4.822
241 HB2 LYS 30 HB2 LYS 30 -5.804 3.099 5.010
242 HB3 LYS 30 HB1 LYS 30 -6.100 1.611 4.118
243 HG2 LYS 30 HG2 LYS 30 -6.469 1.033 6.342
244 HG3 LYS 30 HG1 LYS 30 -4.839 0.444 6.003
245 HD2 LYS 30 HD2 LYS 30 -4.261 1.537 7.866
246 HD3 LYS 30 HD1 LYS 30 -4.351 2.985 6.862
247 HE2 LYS 30 HE2 LYS 30 -6.788 1.932 8.249
248 HE3 LYS 30 HE1 LYS 30 -5.623 2.929 9.119
249 HZ1 LYS 30 HZ1 LYS 30 -7.163 3.682 6.697
250 HZ2 LYS 30 HZ2 LYS 30 -5.915 4.620 7.347
251 HZ3 LYS 30 HZ3 LYS 30 -7.316 4.336 8.250
252 H THR 31 HN THR 31 -4.723 0.166 2.787
253 HA THR 31 HA THR 31 -3.747 -1.929 4.233
254 HB THR 31 HB THR 31 -3.832 -1.788 1.223
255 HG1 THR 31 HG1 THR 31 -5.909 -2.763 1.595
256 HG21 THR 31 HG21 THR 31 -3.951 -4.120 1.188
257 HG22 THR 31 HG22 THR 31 -4.166 -4.216 2.934
258 HG23 THR 31 HG23 THR 31 -2.607 -3.740 2.267
259 H CYS 32 HN CYS 32 -1.892 0.195 2.204
260 HA CYS 32 HA CYS 32 0.425 -1.526 2.143
261 HB2 CYS 32 HB2 CYS 32 0.266 -0.001 0.330
262 HB3 CYS 32 HB1 CYS 32 0.035 1.375 1.402
263 H GLY 33 HN GLY 33 -0.951 0.525 4.424
264 HA2 GLY 33 HA2 GLY 33 -0.266 0.719 6.654
265 HA3 GLY 33 HA1 GLY 33 1.325 0.142 6.193
266 H THR 34 HN THR 34 -0.569 2.912 4.974
267 HA THR 34 HA THR 34 1.465 4.694 6.109
268 HB THR 34 HB THR 34 2.203 4.467 3.858
269 HG1 THR 34 HG1 THR 34 2.155 6.555 3.269
270 HG21 THR 34 HG21 THR 34 0.864 4.870 1.911
271 HG22 THR 34 HG22 THR 34 -0.554 5.174 2.911
272 HG23 THR 34 HG23 THR 34 0.157 3.559 2.854
273 H CYS 35 HN CYS 35 -1.785 4.300 4.813
274 HA CYS 35 HA CYS 35 -2.652 6.952 5.286
275 HB2 CYS 35 HB2 CYS 35 -3.827 5.274 3.834
276 HB3 CYS 35 HB1 CYS 35 -4.377 4.471 5.300
Start of MODEL 7
1 H1 ALA 2 HT1 ALA 2 -10.143 6.718 5.962
2 H2 ALA 2 HT2 ALA 2 -11.657 6.394 5.221
3 H3 ALA 2 HT3 ALA 2 -11.525 7.633 6.400
4 HA ALA 2 HA ALA 2 -11.628 8.280 3.988
5 HB1 ALA 2 HB1 ALA 2 -9.563 9.901 4.539
6 HB2 ALA 2 HB2 ALA 2 -9.873 9.257 6.152
7 HB3 ALA 2 HB3 ALA 2 -11.158 10.082 5.270
8 H CYS 3 HN CYS 3 -10.256 5.700 3.936
9 HA CYS 3 HA CYS 3 -8.527 6.229 1.709
10 HB2 CYS 3 HB2 CYS 3 -6.649 4.810 2.841
11 HB3 CYS 3 HB1 CYS 3 -6.754 6.534 3.173
12 H LYS 4 HN LYS 4 -8.254 4.459 0.389
13 HA LYS 4 HA LYS 4 -9.498 1.945 1.291
14 HB2 LYS 4 HB2 LYS 4 -9.708 3.158 -1.471
15 HB3 LYS 4 HB1 LYS 4 -10.416 1.634 -0.954
16 HG2 LYS 4 HG2 LYS 4 -11.130 4.140 0.491
17 HG3 LYS 4 HG1 LYS 4 -11.866 3.794 -1.076
18 HD2 LYS 4 HD2 LYS 4 -12.684 1.660 -0.238
19 HD3 LYS 4 HD1 LYS 4 -11.902 1.954 1.317
20 HE2 LYS 4 HE2 LYS 4 -13.509 3.382 1.999
21 HE3 LYS 4 HE1 LYS 4 -13.710 4.083 0.394
22 HZ1 LYS 4 HZ1 LYS 4 -14.941 2.058 -0.239
23 HZ2 LYS 4 HZ2 LYS 4 -15.697 2.925 1.001
24 HZ3 LYS 4 HZ3 LYS 4 -14.839 1.513 1.360
25 H ASP 5 HN ASP 5 -8.962 0.222 -0.598
26 HA ASP 5 HA ASP 5 -6.067 0.382 -1.020
27 HB2 ASP 5 HB2 ASP 5 -5.952 -2.043 -0.657
28 HB3 ASP 5 HB1 ASP 5 -6.599 -1.205 0.748
29 H TYR 6 HN TYR 6 -5.398 0.211 -3.015
30 HA TYR 6 HA TYR 6 -7.235 -0.270 -5.158
31 HB2 TYR 6 HB2 TYR 6 -4.619 0.862 -4.848
32 HB3 TYR 6 HB1 TYR 6 -4.578 -0.326 -6.145
33 HD1 TYR 6 HD1 TYR 6 -7.359 1.933 -5.132
34 HD2 TYR 6 HD2 TYR 6 -4.461 0.959 -8.091
35 HE1 TYR 6 HE1 TYR 6 -8.371 3.576 -6.655
36 HE2 TYR 6 HE2 TYR 6 -5.465 2.600 -9.622
37 HH TYR 6 HH TYR 6 -6.913 4.807 -9.265
38 H LEU 7 HN LEU 7 -5.469 -2.355 -3.179
39 HA LEU 7 HA LEU 7 -5.980 -4.559 -5.017
40 HB2 LEU 7 HB2 LEU 7 -3.252 -3.814 -4.029
41 HB3 LEU 7 HB1 LEU 7 -3.643 -5.468 -4.387
42 HG LEU 7 HG LEU 7 -4.218 -3.471 -6.501
43 HD11 LEU 7 HD11 LEU 7 -1.538 -4.056 -5.409
44 HD12 LEU 7 HD12 LEU 7 -2.125 -2.642 -6.286
45 HD13 LEU 7 HD13 LEU 7 -1.704 -4.112 -7.164
46 HD21 LEU 7 HD21 LEU 7 -2.929 -5.656 -7.559
47 HD22 LEU 7 HD22 LEU 7 -4.676 -5.443 -7.450
48 HD23 LEU 7 HD23 LEU 7 -3.818 -6.343 -6.198
49 HA PRO 8 HA PRO 8 -6.865 -7.077 -1.534
50 HB2 PRO 8 HB2 PRO 8 -4.726 -8.986 -2.285
51 HB3 PRO 8 HB1 PRO 8 -6.459 -9.260 -2.051
52 HG2 PRO 8 HG2 PRO 8 -5.474 -9.218 -4.469
53 HG3 PRO 8 HG1 PRO 8 -7.004 -8.388 -4.116
54 HD2 PRO 8 HD2 PRO 8 -4.246 -7.207 -4.395
55 HD3 PRO 8 HD1 PRO 8 -5.763 -6.649 -5.124
56 H LYS 9 HN LYS 9 -6.085 -8.143 0.313
57 HA LYS 9 HA LYS 9 -4.311 -6.556 1.816
58 HB2 LYS 9 HB2 LYS 9 -5.114 -9.398 2.446
59 HB3 LYS 9 HB1 LYS 9 -4.591 -8.164 3.584
60 HG2 LYS 9 HG2 LYS 9 -6.615 -6.844 2.978
61 HG3 LYS 9 HG1 LYS 9 -7.154 -8.218 2.009
62 HD2 LYS 9 HD2 LYS 9 -8.248 -8.551 4.031
63 HD3 LYS 9 HD1 LYS 9 -6.821 -9.578 4.185
64 HE2 LYS 9 HE2 LYS 9 -7.303 -8.229 6.213
65 HE3 LYS 9 HE1 LYS 9 -5.707 -7.931 5.526
66 HZ1 LYS 9 HZ1 LYS 9 -7.854 -6.201 4.599
67 HZ2 LYS 9 HZ2 LYS 9 -6.243 -5.831 4.959
68 HZ3 LYS 9 HZ3 LYS 9 -7.373 -5.992 6.208
69 H SER 10 HN SER 10 -3.735 -9.195 -0.310
70 HA SER 10 HA SER 10 -1.163 -9.881 0.822
71 HB2 SER 10 HB2 SER 10 -2.548 -11.630 -0.193
72 HB3 SER 10 HB1 SER 10 -2.486 -10.791 -1.743
73 HG SER 10 HG SER 10 -0.801 -12.575 -0.861
74 H GLU 11 HN GLU 11 -2.381 -8.086 -1.981
75 HA GLU 11 HA GLU 11 0.144 -7.717 -3.220
76 HB2 GLU 11 HB2 GLU 11 -2.602 -6.921 -3.613
77 HB3 GLU 11 HB1 GLU 11 -1.530 -5.558 -3.895
78 HG2 GLU 11 HG2 GLU 11 -0.740 -8.100 -5.155
79 HG3 GLU 11 HG1 GLU 11 -2.227 -7.364 -5.756
80 H CYS 12 HN CYS 12 -1.758 -5.908 -0.926
81 HA CYS 12 HA CYS 12 0.300 -3.840 -0.771
82 HB2 CYS 12 HB2 CYS 12 -2.580 -4.018 -0.069
83 HB3 CYS 12 HB1 CYS 12 -1.582 -2.896 0.865
84 H THR 13 HN THR 13 1.889 -4.335 0.556
85 HA THR 13 HA THR 13 1.203 -5.537 3.159
86 HB THR 13 HB THR 13 3.608 -6.454 3.036
87 HG1 THR 13 HG1 THR 13 4.688 -6.067 1.304
88 HG21 THR 13 HG21 THR 13 1.780 -7.545 0.904
89 HG22 THR 13 HG22 THR 13 1.526 -7.821 2.630
90 HG23 THR 13 HG23 THR 13 2.995 -8.408 1.853
91 H GLN 14 HN GLN 14 2.171 -4.684 4.989
92 HA GLN 14 HA GLN 14 2.754 -2.002 5.115
93 HB2 GLN 14 HB2 GLN 14 4.046 -4.052 6.918
94 HB3 GLN 14 HB1 GLN 14 3.649 -2.383 7.306
95 HG2 GLN 14 HG2 GLN 14 1.748 -4.673 6.886
96 HG3 GLN 14 HG1 GLN 14 2.053 -3.777 8.373
97 HE21 GLN 14 HE21 GLN 14 0.282 -3.909 5.443
98 HE22 GLN 14 HE22 GLN 14 -0.639 -2.466 5.673
99 H PHE 15 HN PHE 15 4.791 -4.647 4.228
100 HA PHE 15 HA PHE 15 7.322 -3.472 4.412
101 HB2 PHE 15 HB2 PHE 15 6.090 -5.798 3.138
102 HB3 PHE 15 HB1 PHE 15 7.460 -5.175 2.239
103 HD1 PHE 15 HD1 PHE 15 9.657 -4.886 3.472
104 HD2 PHE 15 HD2 PHE 15 6.385 -7.105 5.045
105 HE1 PHE 15 HE1 PHE 15 11.186 -6.032 5.016
106 HE2 PHE 15 HE2 PHE 15 7.909 -8.259 6.596
107 HZ PHE 15 HZ PHE 15 10.314 -7.723 6.583
108 H ARG 16 HN ARG 16 4.847 -3.342 1.929
109 HA ARG 16 HA ARG 16 6.357 -2.184 -0.128
110 HB2 ARG 16 HB2 ARG 16 3.416 -1.742 0.395
111 HB3 ARG 16 HB1 ARG 16 4.247 -1.623 -1.141
112 HG2 ARG 16 HG2 ARG 16 3.957 -4.138 0.453
113 HG3 ARG 16 HG1 ARG 16 2.945 -3.680 -0.914
114 HD2 ARG 16 HD2 ARG 16 4.727 -3.872 -2.433
115 HD3 ARG 16 HD1 ARG 16 5.932 -3.863 -1.147
116 HE ARG 16 HE ARG 16 4.338 -6.095 -0.743
117 HH11 ARG 16 HH11 ARG 16 6.524 -4.892 -3.183
118 HH12 ARG 16 HH12 ARG 16 7.004 -6.470 -3.709
119 HH21 ARG 16 HH21 ARG 16 4.969 -8.172 -1.433
120 HH22 ARG 16 HH22 ARG 16 6.121 -8.332 -2.716
121 H CYS 17 HN CYS 17 4.448 -0.657 2.455
122 HA CYS 17 HA CYS 17 4.994 1.986 1.552
123 HB2 CYS 17 HB2 CYS 17 3.852 0.818 4.050
124 HB3 CYS 17 HB1 CYS 17 4.338 2.507 4.025
125 H ARG 18 HN ARG 18 6.750 -0.294 3.403
126 HA ARG 18 HA ARG 18 8.399 1.452 4.889
127 HB2 ARG 18 HB2 ARG 18 8.129 -1.317 4.590
128 HB3 ARG 18 HB1 ARG 18 9.783 -0.951 4.067
129 HG2 ARG 18 HG2 ARG 18 10.443 -0.698 6.171
130 HG3 ARG 18 HG1 ARG 18 9.148 0.453 6.508
131 HD2 ARG 18 HD2 ARG 18 8.630 -2.500 6.422
132 HD3 ARG 18 HD1 ARG 18 9.244 -1.722 7.880
133 HE ARG 18 HE ARG 18 6.901 -0.462 6.791
134 HH11 ARG 18 HH11 ARG 18 8.078 -2.984 8.896
135 HH12 ARG 18 HH12 ARG 18 6.625 -3.050 9.835
136 HH21 ARG 18 HH21 ARG 18 4.989 -0.548 8.025
137 HH22 ARG 18 HH22 ARG 18 4.871 -1.668 9.340
138 H THR 19 HN THR 19 8.896 -0.282 1.917
139 HA THR 19 HA THR 19 11.216 1.407 1.336
140 HB THR 19 HB THR 19 11.829 -0.804 1.799
141 HG1 THR 19 HG1 THR 19 12.646 0.152 -0.251
142 HG21 THR 19 HG21 THR 19 10.905 -2.746 0.600
143 HG22 THR 19 HG22 THR 19 9.661 -1.688 -0.071
144 HG23 THR 19 HG23 THR 19 9.765 -1.931 1.677
145 H SER 20 HN SER 20 8.243 0.102 -0.013
146 HA SER 20 HA SER 20 8.830 1.267 -2.627
147 HB2 SER 20 HB2 SER 20 6.997 -0.795 -1.606
148 HB3 SER 20 HB1 SER 20 6.297 0.251 -2.841
149 HG SER 20 HG SER 20 7.856 -0.372 -4.259
150 H MET 21 HN MET 21 8.425 3.363 -2.867
151 HA MET 21 HA MET 21 6.487 4.748 -1.255
152 HB2 MET 21 HB2 MET 21 8.626 5.458 -3.134
153 HB3 MET 21 HB1 MET 21 7.236 6.532 -3.199
154 HG2 MET 21 HG2 MET 21 8.289 7.613 -1.555
155 HG3 MET 21 HG1 MET 21 7.604 6.353 -0.530
156 HE1 MET 21 HE1 MET 21 10.693 7.925 -2.115
157 HE2 MET 21 HE2 MET 21 10.691 6.457 -3.092
158 HE3 MET 21 HE3 MET 21 11.970 6.726 -1.908
159 H LYS 22 HN LYS 22 6.296 3.027 -4.170
160 HA LYS 22 HA LYS 22 4.222 4.653 -5.352
161 HB2 LYS 22 HB2 LYS 22 6.005 2.997 -6.452
162 HB3 LYS 22 HB1 LYS 22 4.677 1.860 -6.259
163 HG2 LYS 22 HG2 LYS 22 3.650 4.269 -7.374
164 HG3 LYS 22 HG1 LYS 22 5.072 3.776 -8.296
165 HD2 LYS 22 HD2 LYS 22 3.040 1.715 -7.586
166 HD3 LYS 22 HD1 LYS 22 2.674 2.854 -8.885
167 HE2 LYS 22 HE2 LYS 22 3.740 1.358 -10.180
168 HE3 LYS 22 HE1 LYS 22 5.197 2.119 -9.542
169 HZ1 LYS 22 HZ1 LYS 22 5.015 -0.411 -9.434
170 HZ2 LYS 22 HZ2 LYS 22 3.939 -0.163 -8.153
171 HZ3 LYS 22 HZ3 LYS 22 5.531 0.398 -8.040
172 H TYR 23 HN TYR 23 4.380 1.407 -3.916
173 HA TYR 23 HA TYR 23 1.702 0.723 -4.126
174 HB2 TYR 23 HB2 TYR 23 3.864 -0.045 -2.199
175 HB3 TYR 23 HB1 TYR 23 2.228 -0.666 -1.999
176 HD1 TYR 23 HD2 TYR 23 4.250 -0.086 -5.073
177 HD2 TYR 23 HD1 TYR 23 2.292 -2.899 -2.564
178 HE1 TYR 23 HE2 TYR 23 4.742 -1.868 -6.699
179 HE2 TYR 23 HE1 TYR 23 2.777 -4.689 -4.169
180 HH TYR 23 HH TYR 23 4.301 -5.191 -5.969
181 H ARG 24 HN ARG 24 3.241 2.898 -1.930
182 HA ARG 24 HA ARG 24 1.231 2.854 0.091
183 HB2 ARG 24 HB2 ARG 24 2.791 5.334 -0.181
184 HB3 ARG 24 HB1 ARG 24 2.547 4.310 1.221
185 HG2 ARG 24 HG2 ARG 24 4.178 2.699 0.137
186 HG3 ARG 24 HG1 ARG 24 4.555 4.006 -0.985
187 HD2 ARG 24 HD2 ARG 24 5.176 5.444 0.881
188 HD3 ARG 24 HD1 ARG 24 4.781 4.157 2.019
189 HE ARG 24 HE ARG 24 6.602 2.927 0.558
190 HH11 ARG 24 HH11 ARG 24 6.620 6.187 1.830
191 HH12 ARG 24 HH12 ARG 24 8.346 6.271 1.924
192 HH21 ARG 24 HH21 ARG 24 8.871 3.046 0.695
193 HH22 ARG 24 HH22 ARG 24 9.623 4.490 1.283
194 H LEU 25 HN LEU 25 2.052 5.431 -2.217
195 HA LEU 25 HA LEU 25 -0.586 6.602 -1.805
196 HB2 LEU 25 HB2 LEU 25 1.639 7.660 -3.527
197 HB3 LEU 25 HB1 LEU 25 0.287 8.550 -2.844
198 HG LEU 25 HG LEU 25 1.955 9.226 -1.431
199 HD11 LEU 25 HD11 LEU 25 0.150 7.602 -0.278
200 HD12 LEU 25 HD12 LEU 25 1.397 8.466 0.619
201 HD13 LEU 25 HD13 LEU 25 1.640 6.775 0.183
202 HD21 LEU 25 HD21 LEU 25 3.973 8.360 -1.714
203 HD22 LEU 25 HD22 LEU 25 3.294 6.899 -2.426
204 HD23 LEU 25 HD23 LEU 25 3.502 7.012 -0.679
205 H ASN 26 HN ASN 26 1.354 5.220 -4.389
206 HA ASN 26 HA ASN 26 -0.458 5.859 -6.473
207 HB2 ASN 26 HB2 ASN 26 2.079 5.199 -6.484
208 HB3 ASN 26 HB1 ASN 26 1.440 3.567 -6.686
209 HD21 ASN 26 HD21 ASN 26 2.216 6.479 -8.206
210 HD22 ASN 26 HD22 ASN 26 1.569 6.125 -9.768
211 H LEU 27 HN LEU 27 -0.052 2.959 -4.462
212 HA LEU 27 HA LEU 27 -2.284 1.720 -5.906
213 HB2 LEU 27 HB2 LEU 27 -0.124 0.658 -4.145
214 HB3 LEU 27 HB1 LEU 27 -1.633 -0.226 -4.243
215 HG LEU 27 HG LEU 27 -1.357 -0.352 -6.709
216 HD11 LEU 27 HD11 LEU 27 1.122 0.009 -7.404
217 HD12 LEU 27 HD12 LEU 27 1.146 1.124 -6.038
218 HD13 LEU 27 HD13 LEU 27 0.010 1.377 -7.363
219 HD21 LEU 27 HD21 LEU 27 1.030 -1.491 -5.281
220 HD22 LEU 27 HD22 LEU 27 0.145 -2.167 -6.649
221 HD23 LEU 27 HD23 LEU 27 -0.605 -2.113 -5.054
222 H CYS 28 HN CYS 28 -1.979 0.545 -2.708
223 HA CYS 28 HA CYS 28 -4.541 1.745 -2.025
224 HB2 CYS 28 HB2 CYS 28 -4.461 0.185 -0.137
225 HB3 CYS 28 HB1 CYS 28 -4.151 -0.653 -1.661
226 H LYS 29 HN LYS 29 -4.887 2.970 -0.202
227 HA LYS 29 HA LYS 29 -2.648 4.556 0.672
228 HB2 LYS 29 HB2 LYS 29 -5.596 4.702 1.286
229 HB3 LYS 29 HB1 LYS 29 -4.404 5.830 1.923
230 HG2 LYS 29 HG2 LYS 29 -4.282 5.497 -0.978
231 HG3 LYS 29 HG1 LYS 29 -5.816 6.150 -0.392
232 HD2 LYS 29 HD2 LYS 29 -4.025 7.594 1.062
233 HD3 LYS 29 HD1 LYS 29 -3.141 7.363 -0.447
234 HE2 LYS 29 HE2 LYS 29 -5.987 8.325 -0.388
235 HE3 LYS 29 HE1 LYS 29 -4.621 9.433 -0.263
236 HZ1 LYS 29 HZ1 LYS 29 -4.866 9.443 -2.494
237 HZ2 LYS 29 HZ2 LYS 29 -5.571 7.907 -2.554
238 HZ3 LYS 29 HZ3 LYS 29 -3.895 8.060 -2.398
239 H LYS 30 HN LYS 30 -5.193 2.703 2.309
240 HA LYS 30 HA LYS 30 -3.740 2.733 4.784
241 HB2 LYS 30 HB2 LYS 30 -6.125 2.927 4.859
242 HB3 LYS 30 HB1 LYS 30 -6.325 1.416 3.983
243 HG2 LYS 30 HG2 LYS 30 -6.730 0.784 6.161
244 HG3 LYS 30 HG1 LYS 30 -5.021 0.384 5.959
245 HD2 LYS 30 HD2 LYS 30 -4.318 2.069 7.317
246 HD3 LYS 30 HD1 LYS 30 -5.699 3.099 6.936
247 HE2 LYS 30 HE2 LYS 30 -7.114 1.924 8.407
248 HE3 LYS 30 HE1 LYS 30 -5.987 0.575 8.540
249 HZ1 LYS 30 HZ1 LYS 30 -4.494 2.602 9.441
250 HZ2 LYS 30 HZ2 LYS 30 -5.415 1.593 10.438
251 HZ3 LYS 30 HZ3 LYS 30 -6.027 3.096 9.961
252 H THR 31 HN THR 31 -4.928 0.040 2.729
253 HA THR 31 HA THR 31 -3.926 -2.030 4.185
254 HB THR 31 HB THR 31 -3.986 -1.898 1.174
255 HG1 THR 31 HG1 THR 31 -5.927 -2.704 3.080
256 HG21 THR 31 HG21 THR 31 -2.727 -3.826 2.199
257 HG22 THR 31 HG22 THR 31 -4.088 -4.243 1.155
258 HG23 THR 31 HG23 THR 31 -4.262 -4.324 2.906
259 H CYS 32 HN CYS 32 -2.070 0.094 2.141
260 HA CYS 32 HA CYS 32 0.258 -1.604 2.122
261 HB2 CYS 32 HB2 CYS 32 0.122 -0.068 0.315
262 HB3 CYS 32 HB1 CYS 32 -0.133 1.301 1.393
263 H GLY 33 HN GLY 33 -1.163 0.421 4.398
264 HA2 GLY 33 HA2 GLY 33 -0.524 0.656 6.629
265 HA3 GLY 33 HA1 GLY 33 1.058 0.014 6.218
266 H THR 34 HN THR 34 -0.820 2.862 5.144
267 HA THR 34 HA THR 34 1.326 4.568 6.164
268 HB THR 34 HB THR 34 2.033 4.415 3.938
269 HG1 THR 34 HG1 THR 34 1.707 6.596 4.687
270 HG21 THR 34 HG21 THR 34 0.751 4.435 2.001
271 HG22 THR 34 HG22 THR 34 -0.679 5.020 2.851
272 HG23 THR 34 HG23 THR 34 -0.116 3.367 3.103
273 H CYS 35 HN CYS 35 -1.976 4.278 4.967
274 HA CYS 35 HA CYS 35 -2.879 6.866 5.224
275 HB2 CYS 35 HB2 CYS 35 -4.314 5.073 4.389
276 HB3 CYS 35 HB1 CYS 35 -4.370 4.345 5.992
Start of MODEL 8
1 H1 ALA 2 HT1 ALA 2 -10.530 8.809 3.053
2 H2 ALA 2 HT2 ALA 2 -11.370 8.000 1.794
3 H3 ALA 2 HT3 ALA 2 -11.172 9.704 1.739
4 HA ALA 2 HA ALA 2 -9.706 8.280 0.299
5 HB1 ALA 2 HB1 ALA 2 -8.659 10.410 2.153
6 HB2 ALA 2 HB2 ALA 2 -9.314 10.618 0.529
7 HB3 ALA 2 HB3 ALA 2 -7.769 9.799 0.759
8 H CYS 3 HN CYS 3 -10.173 6.499 2.480
9 HA CYS 3 HA CYS 3 -7.408 5.637 2.986
10 HB2 CYS 3 HB2 CYS 3 -8.738 6.665 4.997
11 HB3 CYS 3 HB1 CYS 3 -9.552 5.104 5.012
12 H LYS 4 HN LYS 4 -8.198 4.509 0.904
13 HA LYS 4 HA LYS 4 -9.392 1.928 1.676
14 HB2 LYS 4 HB2 LYS 4 -9.722 3.359 -0.968
15 HB3 LYS 4 HB1 LYS 4 -10.375 1.775 -0.571
16 HG2 LYS 4 HG2 LYS 4 -11.116 3.971 1.249
17 HG3 LYS 4 HG1 LYS 4 -11.774 4.054 -0.386
18 HD2 LYS 4 HD2 LYS 4 -12.456 1.609 -0.030
19 HD3 LYS 4 HD1 LYS 4 -12.142 1.906 1.681
20 HE2 LYS 4 HE2 LYS 4 -14.184 3.203 -0.101
21 HE3 LYS 4 HE1 LYS 4 -14.447 2.291 1.385
22 HZ1 LYS 4 HZ1 LYS 4 -13.144 4.954 1.187
23 HZ2 LYS 4 HZ2 LYS 4 -13.366 4.078 2.616
24 HZ3 LYS 4 HZ3 LYS 4 -14.707 4.654 1.762
25 H ASP 5 HN ASP 5 -8.899 0.272 -0.211
26 HA ASP 5 HA ASP 5 -6.053 0.540 -0.849
27 HB2 ASP 5 HB2 ASP 5 -5.814 -1.880 -0.503
28 HB3 ASP 5 HB1 ASP 5 -6.376 -1.069 0.955
29 H TYR 6 HN TYR 6 -5.510 0.346 -2.878
30 HA TYR 6 HA TYR 6 -7.477 -0.165 -4.895
31 HB2 TYR 6 HB2 TYR 6 -5.067 1.215 -4.783
32 HB3 TYR 6 HB1 TYR 6 -4.714 -0.155 -5.831
33 HD1 TYR 6 HD1 TYR 6 -6.959 2.756 -5.379
34 HD2 TYR 6 HD2 TYR 6 -5.526 -0.227 -8.053
35 HE1 TYR 6 HE1 TYR 6 -8.042 3.924 -7.252
36 HE2 TYR 6 HE2 TYR 6 -6.604 0.934 -9.934
37 HH TYR 6 HH TYR 6 -7.543 3.982 -9.921
38 H LEU 7 HN LEU 7 -5.583 -2.202 -3.024
39 HA LEU 7 HA LEU 7 -6.074 -4.413 -4.863
40 HB2 LEU 7 HB2 LEU 7 -3.392 -3.509 -3.927
41 HB3 LEU 7 HB1 LEU 7 -3.667 -5.208 -4.125
42 HG LEU 7 HG LEU 7 -4.416 -3.441 -6.382
43 HD11 LEU 7 HD11 LEU 7 -2.354 -2.479 -6.167
44 HD12 LEU 7 HD12 LEU 7 -1.944 -3.894 -7.137
45 HD13 LEU 7 HD13 LEU 7 -1.652 -3.902 -5.398
46 HD21 LEU 7 HD21 LEU 7 -3.059 -5.600 -7.354
47 HD22 LEU 7 HD22 LEU 7 -4.807 -5.503 -7.147
48 HD23 LEU 7 HD23 LEU 7 -3.813 -6.256 -5.904
49 HA PRO 8 HA PRO 8 -6.771 -6.632 -1.115
50 HB2 PRO 8 HB2 PRO 8 -6.025 -9.130 -1.595
51 HB3 PRO 8 HB1 PRO 8 -7.306 -8.369 -2.549
52 HG2 PRO 8 HG2 PRO 8 -4.451 -8.835 -3.226
53 HG3 PRO 8 HG1 PRO 8 -5.888 -8.990 -4.249
54 HD2 PRO 8 HD2 PRO 8 -4.171 -6.808 -4.185
55 HD3 PRO 8 HD1 PRO 8 -5.798 -6.766 -4.854
56 H LYS 9 HN LYS 9 -5.886 -7.933 0.612
57 HA LYS 9 HA LYS 9 -3.654 -6.802 1.781
58 HB2 LYS 9 HB2 LYS 9 -4.696 -9.574 2.367
59 HB3 LYS 9 HB1 LYS 9 -3.792 -8.531 3.457
60 HG2 LYS 9 HG2 LYS 9 -6.225 -7.291 2.443
61 HG3 LYS 9 HG1 LYS 9 -6.520 -8.775 3.352
62 HD2 LYS 9 HD2 LYS 9 -4.698 -7.547 4.942
63 HD3 LYS 9 HD1 LYS 9 -5.541 -6.154 4.264
64 HE2 LYS 9 HE2 LYS 9 -7.643 -7.710 4.885
65 HE3 LYS 9 HE1 LYS 9 -6.501 -8.243 6.118
66 HZ1 LYS 9 HZ1 LYS 9 -7.342 -6.487 7.217
67 HZ2 LYS 9 HZ2 LYS 9 -7.843 -5.685 5.815
68 HZ3 LYS 9 HZ3 LYS 9 -6.225 -5.607 6.301
69 H SER 10 HN SER 10 -3.775 -9.342 -0.555
70 HA SER 10 HA SER 10 -1.197 -10.437 0.071
71 HB2 SER 10 HB2 SER 10 -3.317 -11.424 -1.264
72 HB3 SER 10 HB1 SER 10 -2.343 -10.873 -2.627
73 HG SER 10 HG SER 10 -0.604 -12.112 -1.740
74 H GLU 11 HN GLU 11 -2.311 -7.750 -1.799
75 HA GLU 11 HA GLU 11 0.191 -7.633 -3.320
76 HB2 GLU 11 HB2 GLU 11 -2.531 -6.676 -3.645
77 HB3 GLU 11 HB1 GLU 11 -1.356 -5.416 -3.967
78 HG2 GLU 11 HG2 GLU 11 -0.669 -7.935 -5.240
79 HG3 GLU 11 HG1 GLU 11 -2.259 -7.341 -5.727
80 H CYS 12 HN CYS 12 -1.687 -5.865 -0.957
81 HA CYS 12 HA CYS 12 0.398 -3.836 -0.757
82 HB2 CYS 12 HB2 CYS 12 -2.471 -4.015 -0.060
83 HB3 CYS 12 HB1 CYS 12 -1.476 -2.972 0.964
84 H THR 13 HN THR 13 2.009 -4.355 0.521
85 HA THR 13 HA THR 13 1.397 -5.661 3.092
86 HB THR 13 HB THR 13 3.832 -6.478 2.910
87 HG1 THR 13 HG1 THR 13 4.879 -6.042 1.166
88 HG21 THR 13 HG21 THR 13 3.282 -8.417 1.716
89 HG22 THR 13 HG22 THR 13 2.093 -7.575 0.718
90 HG23 THR 13 HG23 THR 13 1.759 -7.880 2.425
91 H GLN 14 HN GLN 14 2.377 -4.847 4.941
92 HA GLN 14 HA GLN 14 2.872 -2.147 5.146
93 HB2 GLN 14 HB2 GLN 14 4.224 -4.233 6.865
94 HB3 GLN 14 HB1 GLN 14 3.822 -2.580 7.313
95 HG2 GLN 14 HG2 GLN 14 1.935 -4.873 6.852
96 HG3 GLN 14 HG1 GLN 14 2.243 -4.007 8.356
97 HE21 GLN 14 HE21 GLN 14 0.413 -4.123 5.473
98 HE22 GLN 14 HE22 GLN 14 -0.508 -2.685 5.730
99 H PHE 15 HN PHE 15 4.958 -4.690 4.105
100 HA PHE 15 HA PHE 15 7.455 -3.429 4.300
101 HB2 PHE 15 HB2 PHE 15 6.295 -5.766 2.975
102 HB3 PHE 15 HB1 PHE 15 7.626 -5.060 2.078
103 HD1 PHE 15 HD1 PHE 15 9.856 -4.864 3.148
104 HD2 PHE 15 HD2 PHE 15 6.644 -6.973 4.977
105 HE1 PHE 15 HE1 PHE 15 11.454 -5.995 4.633
106 HE2 PHE 15 HE2 PHE 15 8.237 -8.111 6.469
107 HZ PHE 15 HZ PHE 15 10.646 -7.622 6.299
108 H ARG 16 HN ARG 16 4.965 -3.404 1.803
109 HA ARG 16 HA ARG 16 6.343 -2.116 -0.235
110 HB2 ARG 16 HB2 ARG 16 3.418 -1.836 0.473
111 HB3 ARG 16 HB1 ARG 16 4.138 -1.440 -1.073
112 HG2 ARG 16 HG2 ARG 16 4.202 -4.177 0.129
113 HG3 ARG 16 HG1 ARG 16 2.952 -3.622 -0.982
114 HD2 ARG 16 HD2 ARG 16 4.323 -4.473 -2.554
115 HD3 ARG 16 HD1 ARG 16 5.182 -2.946 -2.353
116 HE ARG 16 HE ARG 16 6.907 -4.078 -1.346
117 HH11 ARG 16 HH11 ARG 16 4.134 -6.186 -1.585
118 HH12 ARG 16 HH12 ARG 16 5.011 -7.599 -1.103
119 HH21 ARG 16 HH21 ARG 16 8.060 -5.936 -0.713
120 HH22 ARG 16 HH22 ARG 16 7.239 -7.458 -0.607
121 H CYS 17 HN CYS 17 4.470 -0.660 2.425
122 HA CYS 17 HA CYS 17 4.987 2.001 1.585
123 HB2 CYS 17 HB2 CYS 17 3.956 0.772 4.108
124 HB3 CYS 17 HB1 CYS 17 4.409 2.471 4.082
125 H ARG 18 HN ARG 18 6.798 -0.311 3.353
126 HA ARG 18 HA ARG 18 8.504 1.402 4.802
127 HB2 ARG 18 HB2 ARG 18 8.232 -1.359 4.442
128 HB3 ARG 18 HB1 ARG 18 9.864 -0.972 3.869
129 HG2 ARG 18 HG2 ARG 18 9.551 0.419 6.285
130 HG3 ARG 18 HG1 ARG 18 8.850 -1.176 6.564
131 HD2 ARG 18 HD2 ARG 18 11.444 -1.069 5.137
132 HD3 ARG 18 HD1 ARG 18 11.455 -0.666 6.854
133 HE ARG 18 HE ARG 18 11.135 -3.254 5.704
134 HH11 ARG 18 HH11 ARG 18 10.214 -1.273 8.426
135 HH12 ARG 18 HH12 ARG 18 9.955 -2.622 9.480
136 HH21 ARG 18 HH21 ARG 18 10.794 -5.030 7.089
137 HH22 ARG 18 HH22 ARG 18 10.285 -4.755 8.722
138 H THR 19 HN THR 19 8.897 -0.249 1.767
139 HA THR 19 HA THR 19 11.190 1.466 1.151
140 HB THR 19 HB THR 19 11.820 -0.759 1.535
141 HG1 THR 19 HG1 THR 19 12.560 0.270 -0.519
142 HG21 THR 19 HG21 THR 19 9.739 -1.875 1.430
143 HG22 THR 19 HG22 THR 19 10.868 -2.669 0.322
144 HG23 THR 19 HG23 THR 19 9.613 -1.600 -0.310
145 H SER 20 HN SER 20 8.180 0.180 -0.137
146 HA SER 20 HA SER 20 8.676 1.447 -2.726
147 HB2 SER 20 HB2 SER 20 6.848 -0.662 -1.728
148 HB3 SER 20 HB1 SER 20 6.223 0.366 -3.018
149 HG SER 20 HG SER 20 7.320 -0.929 -4.259
150 H MET 21 HN MET 21 8.124 3.503 -2.975
151 HA MET 21 HA MET 21 6.251 4.798 -1.219
152 HB2 MET 21 HB2 MET 21 8.119 5.632 -3.366
153 HB3 MET 21 HB1 MET 21 6.738 6.679 -3.071
154 HG2 MET 21 HG2 MET 21 8.189 7.624 -1.626
155 HG3 MET 21 HG1 MET 21 7.537 6.381 -0.560
156 HE1 MET 21 HE1 MET 21 9.846 7.952 -0.041
157 HE2 MET 21 HE2 MET 21 11.459 7.291 -0.309
158 HE3 MET 21 HE3 MET 21 10.424 6.608 0.945
159 H LYS 22 HN LYS 22 6.159 3.461 -4.433
160 HA LYS 22 HA LYS 22 3.884 4.844 -5.381
161 HB2 LYS 22 HB2 LYS 22 5.670 3.318 -6.591
162 HB3 LYS 22 HB1 LYS 22 4.475 2.064 -6.291
163 HG2 LYS 22 HG2 LYS 22 2.884 3.945 -7.341
164 HG3 LYS 22 HG1 LYS 22 4.399 4.354 -8.146
165 HD2 LYS 22 HD2 LYS 22 4.565 2.232 -9.144
166 HD3 LYS 22 HD1 LYS 22 3.355 1.538 -8.063
167 HE2 LYS 22 HE2 LYS 22 2.448 1.894 -10.305
168 HE3 LYS 22 HE1 LYS 22 1.623 2.894 -9.110
169 HZ1 LYS 22 HZ1 LYS 22 3.905 4.063 -10.514
170 HZ2 LYS 22 HZ2 LYS 22 2.481 4.795 -9.971
171 HZ3 LYS 22 HZ3 LYS 22 2.468 3.871 -11.386
172 H TYR 23 HN TYR 23 4.211 1.633 -3.893
173 HA TYR 23 HA TYR 23 1.537 0.858 -4.054
174 HB2 TYR 23 HB2 TYR 23 3.789 0.114 -2.222
175 HB3 TYR 23 HB1 TYR 23 2.180 -0.558 -1.981
176 HD1 TYR 23 HD2 TYR 23 4.077 0.145 -5.109
177 HD2 TYR 23 HD1 TYR 23 2.289 -2.773 -2.593
178 HE1 TYR 23 HE2 TYR 23 4.563 -1.591 -6.788
179 HE2 TYR 23 HE1 TYR 23 2.770 -4.517 -4.248
180 HH TYR 23 HH TYR 23 3.802 -3.791 -7.436
181 H ARG 24 HN ARG 24 3.115 2.986 -1.824
182 HA ARG 24 HA ARG 24 1.179 2.837 0.251
183 HB2 ARG 24 HB2 ARG 24 2.682 5.358 -0.004
184 HB3 ARG 24 HB1 ARG 24 2.487 4.301 1.382
185 HG2 ARG 24 HG2 ARG 24 4.103 2.732 0.218
186 HG3 ARG 24 HG1 ARG 24 4.436 4.068 -0.882
187 HD2 ARG 24 HD2 ARG 24 5.085 5.469 1.010
188 HD3 ARG 24 HD1 ARG 24 4.756 4.136 2.115
189 HE ARG 24 HE ARG 24 6.544 2.984 0.568
190 HH11 ARG 24 HH11 ARG 24 6.555 6.229 1.877
191 HH12 ARG 24 HH12 ARG 24 8.282 6.348 1.890
192 HH21 ARG 24 HH21 ARG 24 8.814 3.148 0.599
193 HH22 ARG 24 HH22 ARG 24 9.563 4.603 1.167
194 H LEU 25 HN LEU 25 1.824 5.515 -2.005
195 HA LEU 25 HA LEU 25 -0.811 6.603 -1.412
196 HB2 LEU 25 HB2 LEU 25 1.281 7.777 -3.219
197 HB3 LEU 25 HB1 LEU 25 -0.045 8.606 -2.422
198 HG LEU 25 HG LEU 25 1.696 9.272 -1.093
199 HD11 LEU 25 HD11 LEU 25 0.003 7.533 0.099
200 HD12 LEU 25 HD12 LEU 25 1.242 8.452 0.950
201 HD13 LEU 25 HD13 LEU 25 1.557 6.785 0.473
202 HD21 LEU 25 HD21 LEU 25 3.323 7.055 -0.520
203 HD22 LEU 25 HD22 LEU 25 3.712 8.459 -1.512
204 HD23 LEU 25 HD23 LEU 25 3.020 7.020 -2.257
205 H ASN 26 HN ASN 26 1.003 5.395 -4.182
206 HA ASN 26 HA ASN 26 -0.970 6.071 -6.099
207 HB2 ASN 26 HB2 ASN 26 1.589 5.482 -6.299
208 HB3 ASN 26 HB1 ASN 26 0.960 3.861 -6.598
209 HD21 ASN 26 HD21 ASN 26 0.999 7.169 -7.724
210 HD22 ASN 26 HD22 ASN 26 0.493 6.830 -9.341
211 H LEU 27 HN LEU 27 -0.338 3.076 -4.291
212 HA LEU 27 HA LEU 27 -2.588 1.825 -5.685
213 HB2 LEU 27 HB2 LEU 27 -0.327 0.783 -4.047
214 HB3 LEU 27 HB1 LEU 27 -1.806 -0.153 -4.113
215 HG LEU 27 HG LEU 27 -1.625 -0.163 -6.603
216 HD11 LEU 27 HD11 LEU 27 1.107 0.984 -6.055
217 HD12 LEU 27 HD12 LEU 27 -0.225 1.818 -6.856
218 HD13 LEU 27 HD13 LEU 27 0.515 0.407 -7.613
219 HD21 LEU 27 HD21 LEU 27 -0.124 -1.964 -6.663
220 HD22 LEU 27 HD22 LEU 27 -0.774 -1.968 -5.024
221 HD23 LEU 27 HD23 LEU 27 0.837 -1.319 -5.332
222 H CYS 28 HN CYS 28 -2.076 0.607 -2.507
223 HA CYS 28 HA CYS 28 -4.677 1.665 -1.706
224 HB2 CYS 28 HB2 CYS 28 -4.525 0.015 0.075
225 HB3 CYS 28 HB1 CYS 28 -4.134 -0.747 -1.470
226 H LYS 29 HN LYS 29 -4.990 2.816 0.193
227 HA LYS 29 HA LYS 29 -2.756 4.435 1.027
228 HB2 LYS 29 HB2 LYS 29 -5.659 4.471 1.859
229 HB3 LYS 29 HB1 LYS 29 -4.450 5.638 2.382
230 HG2 LYS 29 HG2 LYS 29 -4.421 5.442 -0.474
231 HG3 LYS 29 HG1 LYS 29 -6.069 5.732 0.089
232 HD2 LYS 29 HD2 LYS 29 -5.091 7.865 -0.240
233 HD3 LYS 29 HD1 LYS 29 -5.129 7.600 1.504
234 HE2 LYS 29 HE2 LYS 29 -2.681 6.601 0.327
235 HE3 LYS 29 HE1 LYS 29 -2.922 8.309 -0.035
236 HZ1 LYS 29 HZ1 LYS 29 -2.552 6.995 2.562
237 HZ2 LYS 29 HZ2 LYS 29 -3.466 8.417 2.495
238 HZ3 LYS 29 HZ3 LYS 29 -1.859 8.420 1.969
239 H LYS 30 HN LYS 30 -5.183 2.482 2.725
240 HA LYS 30 HA LYS 30 -3.597 2.453 5.119
241 HB2 LYS 30 HB2 LYS 30 -5.975 2.637 5.333
242 HB3 LYS 30 HB1 LYS 30 -6.220 1.152 4.422
243 HG2 LYS 30 HG2 LYS 30 -6.520 0.505 6.631
244 HG3 LYS 30 HG1 LYS 30 -4.860 0.023 6.270
245 HD2 LYS 30 HD2 LYS 30 -4.072 1.320 7.886
246 HD3 LYS 30 HD1 LYS 30 -4.909 2.726 7.227
247 HE2 LYS 30 HE2 LYS 30 -6.554 0.757 8.705
248 HE3 LYS 30 HE1 LYS 30 -5.425 1.722 9.655
249 HZ1 LYS 30 HZ1 LYS 30 -7.155 3.145 9.668
250 HZ2 LYS 30 HZ2 LYS 30 -7.830 2.540 8.240
251 HZ3 LYS 30 HZ3 LYS 30 -6.528 3.617 8.168
252 H THR 31 HN THR 31 -4.837 -0.161 2.999
253 HA THR 31 HA THR 31 -3.787 -2.292 4.329
254 HB THR 31 HB THR 31 -3.920 -2.004 1.331
255 HG1 THR 31 HG1 THR 31 -5.963 -3.029 1.661
256 HG21 THR 31 HG21 THR 31 -2.620 -3.971 2.261
257 HG22 THR 31 HG22 THR 31 -3.963 -4.331 1.171
258 HG23 THR 31 HG23 THR 31 -4.160 -4.530 2.911
259 H CYS 32 HN CYS 32 -2.007 -0.030 2.382
260 HA CYS 32 HA CYS 32 0.347 -1.697 2.227
261 HB2 CYS 32 HB2 CYS 32 0.132 -0.130 0.460
262 HB3 CYS 32 HB1 CYS 32 -0.128 1.211 1.570
263 H GLY 33 HN GLY 33 -1.043 0.247 4.591
264 HA2 GLY 33 HA2 GLY 33 -0.328 0.402 6.814
265 HA3 GLY 33 HA1 GLY 33 1.266 -0.138 6.315
266 H THR 34 HN THR 34 -0.732 2.634 5.272
267 HA THR 34 HA THR 34 1.305 4.423 6.382
268 HB THR 34 HB THR 34 2.021 4.308 4.134
269 HG1 THR 34 HG1 THR 34 1.950 6.383 3.691
270 HG21 THR 34 HG21 THR 34 0.700 4.507 2.199
271 HG22 THR 34 HG22 THR 34 -0.734 4.920 3.138
272 HG23 THR 34 HG23 THR 34 -0.068 3.287 3.214
273 H CYS 35 HN CYS 35 -1.959 4.006 5.120
274 HA CYS 35 HA CYS 35 -2.870 6.623 5.689
275 HB2 CYS 35 HB2 CYS 35 -4.032 4.947 4.212
276 HB3 CYS 35 HB1 CYS 35 -4.563 4.121 5.673
Start of MODEL 9
1 H1 ALA 2 HT1 ALA 2 -10.928 9.084 3.695
2 H2 ALA 2 HT2 ALA 2 -12.111 7.948 4.200
3 H3 ALA 2 HT3 ALA 2 -12.593 9.452 3.527
4 HA ALA 2 HA ALA 2 -12.710 7.411 2.093
5 HB1 ALA 2 HB1 ALA 2 -12.503 10.044 1.552
6 HB2 ALA 2 HB2 ALA 2 -12.697 8.799 0.318
7 HB3 ALA 2 HB3 ALA 2 -11.092 9.431 0.688
8 H CYS 3 HN CYS 3 -10.664 6.536 3.753
9 HA CYS 3 HA CYS 3 -8.336 6.191 2.012
10 HB2 CYS 3 HB2 CYS 3 -8.515 6.646 4.716
11 HB3 CYS 3 HB1 CYS 3 -8.263 4.905 4.650
12 H LYS 4 HN LYS 4 -8.350 4.509 0.690
13 HA LYS 4 HA LYS 4 -9.344 1.933 1.686
14 HB2 LYS 4 HB2 LYS 4 -10.239 3.427 -0.726
15 HB3 LYS 4 HB1 LYS 4 -10.053 1.685 -0.882
16 HG2 LYS 4 HG2 LYS 4 -11.529 2.548 1.499
17 HG3 LYS 4 HG1 LYS 4 -12.304 2.932 -0.039
18 HD2 LYS 4 HD2 LYS 4 -13.128 0.816 0.424
19 HD3 LYS 4 HD1 LYS 4 -11.764 0.468 -0.640
20 HE2 LYS 4 HE2 LYS 4 -10.395 -0.185 1.176
21 HE3 LYS 4 HE1 LYS 4 -11.525 0.475 2.358
22 HZ1 LYS 4 HZ1 LYS 4 -12.112 -1.822 0.570
23 HZ2 LYS 4 HZ2 LYS 4 -13.100 -1.231 1.809
24 HZ3 LYS 4 HZ3 LYS 4 -11.621 -1.961 2.183
25 H ASP 5 HN ASP 5 -8.798 0.255 -0.265
26 HA ASP 5 HA ASP 5 -5.978 0.713 -0.919
27 HB2 ASP 5 HB2 ASP 5 -5.571 -1.677 -0.563
28 HB3 ASP 5 HB1 ASP 5 -6.210 -0.920 0.892
29 H TYR 6 HN TYR 6 -5.420 0.501 -2.958
30 HA TYR 6 HA TYR 6 -7.367 -0.030 -4.969
31 HB2 TYR 6 HB2 TYR 6 -5.045 1.382 -4.916
32 HB3 TYR 6 HB1 TYR 6 -4.521 -0.073 -5.757
33 HD1 TYR 6 HD1 TYR 6 -7.356 2.367 -5.823
34 HD2 TYR 6 HD2 TYR 6 -4.701 -0.097 -8.056
35 HE1 TYR 6 HE1 TYR 6 -8.313 3.240 -7.913
36 HE2 TYR 6 HE2 TYR 6 -5.650 0.770 -10.152
37 HH TYR 6 HH TYR 6 -6.897 3.022 -10.817
38 H LEU 7 HN LEU 7 -5.469 -2.081 -3.088
39 HA LEU 7 HA LEU 7 -6.047 -4.306 -4.890
40 HB2 LEU 7 HB2 LEU 7 -3.337 -3.465 -3.970
41 HB3 LEU 7 HB1 LEU 7 -3.662 -5.156 -4.164
42 HG LEU 7 HG LEU 7 -4.381 -3.387 -6.424
43 HD11 LEU 7 HD11 LEU 7 -2.309 -2.446 -6.222
44 HD12 LEU 7 HD12 LEU 7 -1.916 -3.873 -7.182
45 HD13 LEU 7 HD13 LEU 7 -1.620 -3.871 -5.444
46 HD21 LEU 7 HD21 LEU 7 -3.007 -5.599 -7.333
47 HD22 LEU 7 HD22 LEU 7 -4.759 -5.422 -7.241
48 HD23 LEU 7 HD23 LEU 7 -3.883 -6.200 -5.928
49 HA PRO 8 HA PRO 8 -6.789 -6.456 -1.114
50 HB2 PRO 8 HB2 PRO 8 -6.123 -8.981 -1.571
51 HB3 PRO 8 HB1 PRO 8 -7.385 -8.190 -2.525
52 HG2 PRO 8 HG2 PRO 8 -4.552 -8.754 -3.216
53 HG3 PRO 8 HG1 PRO 8 -6.000 -8.870 -4.228
54 HD2 PRO 8 HD2 PRO 8 -4.210 -6.745 -4.191
55 HD3 PRO 8 HD1 PRO 8 -5.836 -6.656 -4.856
56 H LYS 9 HN LYS 9 -5.940 -7.763 0.623
57 HA LYS 9 HA LYS 9 -3.682 -6.695 1.789
58 HB2 LYS 9 HB2 LYS 9 -4.672 -9.473 2.398
59 HB3 LYS 9 HB1 LYS 9 -3.896 -8.336 3.492
60 HG2 LYS 9 HG2 LYS 9 -6.195 -7.050 2.509
61 HG3 LYS 9 HG1 LYS 9 -6.675 -8.696 2.923
62 HD2 LYS 9 HD2 LYS 9 -5.069 -7.937 5.041
63 HD3 LYS 9 HD1 LYS 9 -5.967 -6.468 4.655
64 HE2 LYS 9 HE2 LYS 9 -7.204 -7.725 6.286
65 HE3 LYS 9 HE1 LYS 9 -8.065 -7.787 4.749
66 HZ1 LYS 9 HZ1 LYS 9 -7.718 -9.987 4.541
67 HZ2 LYS 9 HZ2 LYS 9 -7.555 -9.932 6.224
68 HZ3 LYS 9 HZ3 LYS 9 -6.178 -9.941 5.241
69 H SER 10 HN SER 10 -3.877 -9.274 -0.510
70 HA SER 10 HA SER 10 -1.320 -10.411 0.087
71 HB2 SER 10 HB2 SER 10 -3.515 -11.228 -1.364
72 HB3 SER 10 HB1 SER 10 -2.329 -10.877 -2.621
73 HG SER 10 HG SER 10 -1.960 -12.585 -0.384
74 H GLU 11 HN GLU 11 -2.379 -7.702 -1.788
75 HA GLU 11 HA GLU 11 0.133 -7.629 -3.296
76 HB2 GLU 11 HB2 GLU 11 -2.572 -6.631 -3.636
77 HB3 GLU 11 HB1 GLU 11 -1.378 -5.388 -3.953
78 HG2 GLU 11 HG2 GLU 11 -0.747 -7.935 -5.218
79 HG3 GLU 11 HG1 GLU 11 -2.303 -7.273 -5.726
80 H CYS 12 HN CYS 12 -1.729 -5.822 -0.946
81 HA CYS 12 HA CYS 12 0.396 -3.835 -0.740
82 HB2 CYS 12 HB2 CYS 12 -2.483 -3.945 -0.055
83 HB3 CYS 12 HB1 CYS 12 -1.464 -2.902 0.947
84 H THR 13 HN THR 13 1.981 -4.404 0.545
85 HA THR 13 HA THR 13 1.320 -5.656 3.129
86 HB THR 13 HB THR 13 3.723 -6.556 2.975
87 HG1 THR 13 HG1 THR 13 4.545 -6.688 0.871
88 HG21 THR 13 HG21 THR 13 3.126 -8.484 1.788
89 HG22 THR 13 HG22 THR 13 1.982 -7.610 0.765
90 HG23 THR 13 HG23 THR 13 1.611 -7.891 2.470
91 H GLN 14 HN GLN 14 2.298 -4.832 4.974
92 HA GLN 14 HA GLN 14 2.868 -2.144 5.131
93 HB2 GLN 14 HB2 GLN 14 3.769 -4.440 6.865
94 HB3 GLN 14 HB1 GLN 14 4.145 -2.769 7.262
95 HG2 GLN 14 HG2 GLN 14 2.232 -3.236 8.498
96 HG3 GLN 14 HG1 GLN 14 1.635 -2.345 7.099
97 HE21 GLN 14 HE21 GLN 14 0.346 -3.376 5.600
98 HE22 GLN 14 HE22 GLN 14 -0.309 -4.954 5.854
99 H PHE 15 HN PHE 15 4.900 -4.770 4.190
100 HA PHE 15 HA PHE 15 7.433 -3.600 4.380
101 HB2 PHE 15 HB2 PHE 15 6.193 -5.895 3.065
102 HB3 PHE 15 HB1 PHE 15 7.543 -5.242 2.156
103 HD1 PHE 15 HD2 PHE 15 9.760 -4.985 3.339
104 HD2 PHE 15 HD1 PHE 15 6.530 -7.238 4.948
105 HE1 PHE 15 HE2 PHE 15 11.328 -6.157 4.820
106 HE2 PHE 15 HE1 PHE 15 8.093 -8.419 6.439
107 HZ PHE 15 HZ PHE 15 10.497 -7.880 6.376
108 H ARG 16 HN ARG 16 4.963 -3.460 1.886
109 HA ARG 16 HA ARG 16 6.432 -2.257 -0.149
110 HB2 ARG 16 HB2 ARG 16 3.514 -1.755 0.432
111 HB3 ARG 16 HB1 ARG 16 4.321 -1.651 -1.118
112 HG2 ARG 16 HG2 ARG 16 3.960 -4.156 0.479
113 HG3 ARG 16 HG1 ARG 16 2.984 -3.672 -0.907
114 HD2 ARG 16 HD2 ARG 16 4.798 -3.910 -2.393
115 HD3 ARG 16 HD1 ARG 16 5.968 -3.970 -1.075
116 HE ARG 16 HE ARG 16 4.037 -6.117 -1.082
117 HH11 ARG 16 HH11 ARG 16 7.177 -5.045 -2.169
118 HH12 ARG 16 HH12 ARG 16 7.785 -6.651 -2.391
119 HH21 ARG 16 HH21 ARG 16 4.836 -8.227 -1.376
120 HH22 ARG 16 HH22 ARG 16 6.457 -8.457 -1.942
121 H CYS 17 HN CYS 17 4.551 -0.710 2.458
122 HA CYS 17 HA CYS 17 5.159 1.915 1.584
123 HB2 CYS 17 HB2 CYS 17 4.032 0.760 4.092
124 HB3 CYS 17 HB1 CYS 17 4.559 2.437 4.073
125 H ARG 18 HN ARG 18 6.875 -0.402 3.441
126 HA ARG 18 HA ARG 18 8.596 1.281 4.889
127 HB2 ARG 18 HB2 ARG 18 8.301 -1.477 4.507
128 HB3 ARG 18 HB1 ARG 18 9.945 -1.101 3.958
129 HG2 ARG 18 HG2 ARG 18 9.702 0.280 6.349
130 HG3 ARG 18 HG1 ARG 18 8.846 -1.232 6.653
131 HD2 ARG 18 HD2 ARG 18 11.445 -1.435 5.257
132 HD3 ARG 18 HD1 ARG 18 11.496 -0.953 6.952
133 HE ARG 18 HE ARG 18 9.823 -3.190 6.693
134 HH11 ARG 18 HH11 ARG 18 13.199 -2.337 6.451
135 HH12 ARG 18 HH12 ARG 18 13.758 -3.912 6.904
136 HH21 ARG 18 HH21 ARG 18 10.557 -5.262 7.289
137 HH22 ARG 18 HH22 ARG 18 12.258 -5.573 7.379
138 H THR 19 HN THR 19 8.995 -0.355 1.847
139 HA THR 19 HA THR 19 11.316 1.331 1.266
140 HB THR 19 HB THR 19 11.927 -0.891 1.640
141 HG1 THR 19 HG1 THR 19 12.674 0.123 -0.419
142 HG21 THR 19 HG21 THR 19 9.829 -1.987 1.537
143 HG22 THR 19 HG22 THR 19 10.961 -2.801 0.449
144 HG23 THR 19 HG23 THR 19 9.720 -1.730 -0.208
145 H SER 20 HN SER 20 8.298 0.114 -0.083
146 HA SER 20 HA SER 20 8.875 1.468 -2.623
147 HB2 SER 20 HB2 SER 20 6.768 -0.553 -1.852
148 HB3 SER 20 HB1 SER 20 6.801 0.263 -3.415
149 HG SER 20 HG SER 20 8.104 -1.291 -3.955
150 H MET 21 HN MET 21 8.109 3.432 -2.981
151 HA MET 21 HA MET 21 6.161 4.630 -1.231
152 HB2 MET 21 HB2 MET 21 7.517 5.692 -3.715
153 HB3 MET 21 HB1 MET 21 6.496 6.641 -2.645
154 HG2 MET 21 HG2 MET 21 8.539 7.208 -1.840
155 HG3 MET 21 HG1 MET 21 8.197 5.809 -0.825
156 HE1 MET 21 HE1 MET 21 9.634 7.114 -3.992
157 HE2 MET 21 HE2 MET 21 9.640 5.536 -4.780
158 HE3 MET 21 HE3 MET 21 11.154 6.253 -4.229
159 H LYS 22 HN LYS 22 6.249 3.518 -4.573
160 HA LYS 22 HA LYS 22 3.895 4.566 -5.550
161 HB2 LYS 22 HB2 LYS 22 5.610 3.297 -6.842
162 HB3 LYS 22 HB1 LYS 22 4.974 1.811 -6.152
163 HG2 LYS 22 HG2 LYS 22 3.901 1.857 -8.169
164 HG3 LYS 22 HG1 LYS 22 2.713 2.663 -7.144
165 HD2 LYS 22 HD2 LYS 22 3.184 4.754 -8.022
166 HD3 LYS 22 HD1 LYS 22 4.789 4.271 -8.575
167 HE2 LYS 22 HE2 LYS 22 3.187 2.598 -10.008
168 HE3 LYS 22 HE1 LYS 22 2.183 4.044 -9.904
169 HZ1 LYS 22 HZ1 LYS 22 3.418 4.439 -11.783
170 HZ2 LYS 22 HZ2 LYS 22 4.813 3.700 -11.175
171 HZ3 LYS 22 HZ3 LYS 22 4.354 5.229 -10.615
172 H TYR 23 HN TYR 23 4.306 1.482 -3.828
173 HA TYR 23 HA TYR 23 1.632 0.643 -3.992
174 HB2 TYR 23 HB2 TYR 23 3.888 -0.015 -2.125
175 HB3 TYR 23 HB1 TYR 23 2.290 -0.718 -1.902
176 HD1 TYR 23 HD2 TYR 23 4.378 -0.063 -4.928
177 HD2 TYR 23 HD1 TYR 23 2.318 -2.917 -2.548
178 HE1 TYR 23 HE2 TYR 23 4.939 -1.820 -6.560
179 HE2 TYR 23 HE1 TYR 23 2.873 -4.681 -4.160
180 HH TYR 23 HH TYR 23 3.458 -4.605 -6.845
181 H ARG 24 HN ARG 24 3.157 2.940 -1.926
182 HA ARG 24 HA ARG 24 1.193 2.831 0.164
183 HB2 ARG 24 HB2 ARG 24 2.864 5.255 -0.156
184 HB3 ARG 24 HB1 ARG 24 2.491 4.333 1.289
185 HG2 ARG 24 HG2 ARG 24 4.050 2.573 0.470
186 HG3 ARG 24 HG1 ARG 24 4.507 3.663 -0.836
187 HD2 ARG 24 HD2 ARG 24 5.133 5.353 0.877
188 HD3 ARG 24 HD1 ARG 24 4.831 4.141 2.121
189 HE ARG 24 HE ARG 24 6.589 2.848 0.622
190 HH11 ARG 24 HH11 ARG 24 6.615 6.172 1.714
191 HH12 ARG 24 HH12 ARG 24 8.342 6.281 1.730
192 HH21 ARG 24 HH21 ARG 24 8.859 3.000 0.654
193 HH22 ARG 24 HH22 ARG 24 9.615 4.483 1.131
194 H LEU 25 HN LEU 25 2.023 5.425 -2.121
195 HA LEU 25 HA LEU 25 -0.558 6.667 -1.614
196 HB2 LEU 25 HB2 LEU 25 1.616 7.677 -3.423
197 HB3 LEU 25 HB1 LEU 25 0.342 8.599 -2.643
198 HG LEU 25 HG LEU 25 2.123 9.183 -1.324
199 HD11 LEU 25 HD11 LEU 25 0.327 7.555 -0.106
200 HD12 LEU 25 HD12 LEU 25 1.598 8.444 0.729
201 HD13 LEU 25 HD13 LEU 25 1.843 6.752 0.302
202 HD21 LEU 25 HD21 LEU 25 3.611 6.884 -0.701
203 HD22 LEU 25 HD22 LEU 25 4.085 8.238 -1.725
204 HD23 LEU 25 HD23 LEU 25 3.309 6.826 -2.438
205 H ASN 26 HN ASN 26 1.243 5.300 -4.326
206 HA ASN 26 HA ASN 26 -0.684 6.004 -6.283
207 HB2 ASN 26 HB2 ASN 26 1.868 5.276 -6.413
208 HB3 ASN 26 HB1 ASN 26 1.135 3.708 -6.750
209 HD21 ASN 26 HD21 ASN 26 2.008 6.718 -8.003
210 HD22 ASN 26 HD22 ASN 26 1.283 6.556 -9.563
211 H LEU 27 HN LEU 27 -0.171 3.045 -4.383
212 HA LEU 27 HA LEU 27 -2.457 1.830 -5.754
213 HB2 LEU 27 HB2 LEU 27 -0.241 0.748 -4.072
214 HB3 LEU 27 HB1 LEU 27 -1.742 -0.149 -4.177
215 HG LEU 27 HG LEU 27 -1.493 -0.179 -6.658
216 HD11 LEU 27 HD11 LEU 27 1.281 0.847 -6.088
217 HD12 LEU 27 HD12 LEU 27 -0.019 1.801 -6.803
218 HD13 LEU 27 HD13 LEU 27 0.615 0.394 -7.657
219 HD21 LEU 27 HD21 LEU 27 -0.045 -2.017 -6.665
220 HD22 LEU 27 HD22 LEU 27 -0.704 -1.981 -5.029
221 HD23 LEU 27 HD23 LEU 27 0.922 -1.373 -5.338
222 H CYS 28 HN CYS 28 -1.978 0.638 -2.569
223 HA CYS 28 HA CYS 28 -4.543 1.773 -1.769
224 HB2 CYS 28 HB2 CYS 28 -4.401 0.159 0.050
225 HB3 CYS 28 HB1 CYS 28 -4.065 -0.640 -1.489
226 H LYS 29 HN LYS 29 -4.831 2.956 0.104
227 HA LYS 29 HA LYS 29 -2.570 4.548 0.917
228 HB2 LYS 29 HB2 LYS 29 -5.477 4.648 1.728
229 HB3 LYS 29 HB1 LYS 29 -4.252 5.798 2.250
230 HG2 LYS 29 HG2 LYS 29 -4.177 5.583 -0.597
231 HG3 LYS 29 HG1 LYS 29 -5.839 5.876 -0.075
232 HD2 LYS 29 HD2 LYS 29 -5.384 7.975 0.594
233 HD3 LYS 29 HD1 LYS 29 -3.833 7.516 1.299
234 HE2 LYS 29 HE2 LYS 29 -2.686 8.038 -0.568
235 HE3 LYS 29 HE1 LYS 29 -3.944 7.416 -1.636
236 HZ1 LYS 29 HZ1 LYS 29 -3.988 9.673 -2.036
237 HZ2 LYS 29 HZ2 LYS 29 -3.705 10.089 -0.421
238 HZ3 LYS 29 HZ3 LYS 29 -5.221 9.504 -0.890
239 H LYS 30 HN LYS 30 -5.032 2.655 2.639
240 HA LYS 30 HA LYS 30 -3.452 2.635 5.037
241 HB2 LYS 30 HB2 LYS 30 -5.802 2.857 5.296
242 HB3 LYS 30 HB1 LYS 30 -6.107 1.421 4.327
243 HG2 LYS 30 HG2 LYS 30 -6.446 0.735 6.532
244 HG3 LYS 30 HG1 LYS 30 -4.836 0.140 6.117
245 HD2 LYS 30 HD2 LYS 30 -4.503 1.064 8.211
246 HD3 LYS 30 HD1 LYS 30 -4.016 2.372 7.132
247 HE2 LYS 30 HE2 LYS 30 -6.185 3.432 7.400
248 HE3 LYS 30 HE1 LYS 30 -6.732 2.099 8.416
249 HZ1 LYS 30 HZ1 LYS 30 -5.750 4.331 9.410
250 HZ2 LYS 30 HZ2 LYS 30 -4.299 3.478 9.242
251 HZ3 LYS 30 HZ3 LYS 30 -5.552 2.837 10.181
252 H THR 31 HN THR 31 -4.723 0.002 2.954
253 HA THR 31 HA THR 31 -3.690 -2.112 4.327
254 HB THR 31 HB THR 31 -3.815 -1.898 1.323
255 HG1 THR 31 HG1 THR 31 -5.881 -2.863 1.667
256 HG21 THR 31 HG21 THR 31 -3.916 -4.232 1.241
257 HG22 THR 31 HG22 THR 31 -4.105 -4.365 2.988
258 HG23 THR 31 HG23 THR 31 -2.560 -3.859 2.307
259 H CYS 32 HN CYS 32 -1.900 0.087 2.312
260 HA CYS 32 HA CYS 32 0.433 -1.598 2.159
261 HB2 CYS 32 HB2 CYS 32 0.227 0.002 0.414
262 HB3 CYS 32 HB1 CYS 32 0.019 1.330 1.549
263 H GLY 33 HN GLY 33 -0.918 0.339 4.551
264 HA2 GLY 33 HA2 GLY 33 -0.192 0.435 6.775
265 HA3 GLY 33 HA1 GLY 33 1.396 -0.101 6.257
266 H THR 34 HN THR 34 -0.489 2.692 5.098
267 HA THR 34 HA THR 34 1.540 4.442 6.310
268 HB THR 34 HB THR 34 2.193 4.340 4.024
269 HG1 THR 34 HG1 THR 34 1.880 6.489 3.405
270 HG21 THR 34 HG21 THR 34 0.110 3.458 3.061
271 HG22 THR 34 HG22 THR 34 0.784 4.810 2.150
272 HG23 THR 34 HG23 THR 34 -0.600 5.066 3.212
273 H CYS 35 HN CYS 35 -1.751 4.040 5.162
274 HA CYS 35 HA CYS 35 -2.726 6.612 5.607
275 HB2 CYS 35 HB2 CYS 35 -3.982 4.745 4.510
276 HB3 CYS 35 HB1 CYS 35 -4.243 4.045 6.104
Start of MODEL 10
1 H1 ALA 2 HT1 ALA 2 -12.110 8.608 2.486
2 H2 ALA 2 HT2 ALA 2 -11.185 8.078 3.832
3 H3 ALA 2 HT3 ALA 2 -11.619 6.969 2.596
4 HA ALA 2 HA ALA 2 -10.366 8.438 1.044
5 HB1 ALA 2 HB1 ALA 2 -9.844 9.721 3.641
6 HB2 ALA 2 HB2 ALA 2 -9.831 10.398 2.013
7 HB3 ALA 2 HB3 ALA 2 -8.436 9.495 2.603
8 H CYS 3 HN CYS 3 -9.869 6.578 3.948
9 HA CYS 3 HA CYS 3 -7.334 5.509 3.034
10 HB2 CYS 3 HB2 CYS 3 -9.034 5.031 5.475
11 HB3 CYS 3 HB1 CYS 3 -7.627 4.037 5.117
12 H LYS 4 HN LYS 4 -7.896 4.465 1.108
13 HA LYS 4 HA LYS 4 -9.382 1.954 1.499
14 HB2 LYS 4 HB2 LYS 4 -9.464 3.787 -0.903
15 HB3 LYS 4 HB1 LYS 4 -10.131 2.160 -0.883
16 HG2 LYS 4 HG2 LYS 4 -11.066 3.866 1.303
17 HG3 LYS 4 HG1 LYS 4 -11.514 4.428 -0.309
18 HD2 LYS 4 HD2 LYS 4 -12.460 2.217 -0.805
19 HD3 LYS 4 HD1 LYS 4 -12.031 1.677 0.820
20 HE2 LYS 4 HE2 LYS 4 -13.516 3.317 1.796
21 HE3 LYS 4 HE1 LYS 4 -13.879 3.978 0.202
22 HZ1 LYS 4 HZ1 LYS 4 -14.861 1.551 1.474
23 HZ2 LYS 4 HZ2 LYS 4 -14.548 1.449 -0.185
24 HZ3 LYS 4 HZ3 LYS 4 -15.638 2.602 0.399
25 H ASP 5 HN ASP 5 -8.860 0.351 -0.308
26 HA ASP 5 HA ASP 5 -6.006 0.535 -0.945
27 HB2 ASP 5 HB2 ASP 5 -5.839 -1.890 -0.609
28 HB3 ASP 5 HB1 ASP 5 -6.388 -1.074 0.851
29 H TYR 6 HN TYR 6 -5.468 0.337 -2.974
30 HA TYR 6 HA TYR 6 -7.452 -0.134 -4.992
31 HB2 TYR 6 HB2 TYR 6 -4.859 1.062 -4.850
32 HB3 TYR 6 HB1 TYR 6 -4.841 -0.147 -6.129
33 HD1 TYR 6 HD2 TYR 6 -7.657 2.025 -5.027
34 HD2 TYR 6 HD1 TYR 6 -4.844 1.125 -8.090
35 HE1 TYR 6 HE2 TYR 6 -8.792 3.610 -6.527
36 HE2 TYR 6 HE1 TYR 6 -5.971 2.707 -9.598
37 HH TYR 6 HH TYR 6 -7.508 4.893 -9.156
38 H LEU 7 HN LEU 7 -5.582 -2.190 -3.128
39 HA LEU 7 HA LEU 7 -6.072 -4.392 -4.982
40 HB2 LEU 7 HB2 LEU 7 -3.400 -3.504 -4.009
41 HB3 LEU 7 HB1 LEU 7 -3.681 -5.204 -4.183
42 HG LEU 7 HG LEU 7 -4.387 -3.469 -6.479
43 HD11 LEU 7 HD11 LEU 7 -1.683 -3.785 -5.374
44 HD12 LEU 7 HD12 LEU 7 -2.342 -2.537 -6.432
45 HD13 LEU 7 HD13 LEU 7 -1.843 -4.090 -7.103
46 HD21 LEU 7 HD21 LEU 7 -4.812 -5.561 -7.165
47 HD22 LEU 7 HD22 LEU 7 -3.759 -6.283 -5.953
48 HD23 LEU 7 HD23 LEU 7 -3.072 -5.632 -7.438
49 HA PRO 8 HA PRO 8 -6.864 -6.604 -1.249
50 HB2 PRO 8 HB2 PRO 8 -6.101 -9.105 -1.679
51 HB3 PRO 8 HB1 PRO 8 -7.348 -8.354 -2.686
52 HG2 PRO 8 HG2 PRO 8 -4.466 -8.812 -3.255
53 HG3 PRO 8 HG1 PRO 8 -5.865 -8.997 -4.325
54 HD2 PRO 8 HD2 PRO 8 -4.177 -6.800 -4.247
55 HD3 PRO 8 HD1 PRO 8 -5.791 -6.778 -4.950
56 H LYS 9 HN LYS 9 -6.030 -7.881 0.521
57 HA LYS 9 HA LYS 9 -3.831 -6.733 1.738
58 HB2 LYS 9 HB2 LYS 9 -4.897 -9.492 2.339
59 HB3 LYS 9 HB1 LYS 9 -4.025 -8.433 3.438
60 HG2 LYS 9 HG2 LYS 9 -6.418 -7.198 2.335
61 HG3 LYS 9 HG1 LYS 9 -6.753 -8.673 3.243
62 HD2 LYS 9 HD2 LYS 9 -4.831 -6.889 4.543
63 HD3 LYS 9 HD1 LYS 9 -6.432 -6.179 4.328
64 HE2 LYS 9 HE2 LYS 9 -7.454 -7.743 5.676
65 HE3 LYS 9 HE1 LYS 9 -6.199 -8.951 5.405
66 HZ1 LYS 9 HZ1 LYS 9 -4.752 -7.184 6.660
67 HZ2 LYS 9 HZ2 LYS 9 -5.698 -8.296 7.513
68 HZ3 LYS 9 HZ3 LYS 9 -6.249 -6.713 7.293
69 H SER 10 HN SER 10 -3.885 -9.289 -0.574
70 HA SER 10 HA SER 10 -1.331 -10.384 0.152
71 HB2 SER 10 HB2 SER 10 -2.924 -11.860 -0.876
72 HB3 SER 10 HB1 SER 10 -3.096 -10.788 -2.266
73 HG SER 10 HG SER 10 -1.414 -12.776 -2.000
74 H GLU 11 HN GLU 11 -2.369 -7.711 -1.770
75 HA GLU 11 HA GLU 11 0.156 -7.663 -3.256
76 HB2 GLU 11 HB2 GLU 11 -2.542 -6.658 -3.639
77 HB3 GLU 11 HB1 GLU 11 -1.337 -5.424 -3.956
78 HG2 GLU 11 HG2 GLU 11 -0.639 -7.948 -5.186
79 HG3 GLU 11 HG1 GLU 11 -2.239 -7.396 -5.688
80 H CYS 12 HN CYS 12 -1.714 -5.824 -0.940
81 HA CYS 12 HA CYS 12 0.423 -3.848 -0.737
82 HB2 CYS 12 HB2 CYS 12 -2.462 -3.929 -0.088
83 HB3 CYS 12 HB1 CYS 12 -1.453 -2.903 0.939
84 H THR 13 HN THR 13 1.986 -4.334 0.598
85 HA THR 13 HA THR 13 1.310 -5.606 3.169
86 HB THR 13 HB THR 13 3.725 -6.484 3.037
87 HG1 THR 13 HG1 THR 13 4.806 -5.843 1.386
88 HG21 THR 13 HG21 THR 13 2.004 -7.555 0.817
89 HG22 THR 13 HG22 THR 13 1.633 -7.844 2.520
90 HG23 THR 13 HG23 THR 13 3.156 -8.419 1.841
91 H GLN 14 HN GLN 14 2.291 -4.787 5.024
92 HA GLN 14 HA GLN 14 2.831 -2.094 5.197
93 HB2 GLN 14 HB2 GLN 14 4.144 -4.179 6.948
94 HB3 GLN 14 HB1 GLN 14 3.772 -2.514 7.372
95 HG2 GLN 14 HG2 GLN 14 1.848 -4.782 6.949
96 HG3 GLN 14 HG1 GLN 14 2.165 -3.888 8.435
97 HE21 GLN 14 HE21 GLN 14 0.368 -4.025 5.526
98 HE22 GLN 14 HE22 GLN 14 -0.543 -2.575 5.754
99 H PHE 15 HN PHE 15 4.887 -4.690 4.221
100 HA PHE 15 HA PHE 15 7.403 -3.473 4.405
101 HB2 PHE 15 HB2 PHE 15 6.205 -5.806 3.109
102 HB3 PHE 15 HB1 PHE 15 7.550 -5.137 2.203
103 HD1 PHE 15 HD1 PHE 15 9.759 -4.843 3.383
104 HD2 PHE 15 HD2 PHE 15 6.551 -7.109 5.020
105 HE1 PHE 15 HE1 PHE 15 11.337 -5.976 4.886
106 HE2 PHE 15 HE2 PHE 15 8.124 -8.250 6.530
107 HZ PHE 15 HZ PHE 15 10.522 -7.684 6.466
108 H ARG 16 HN ARG 16 4.932 -3.428 1.889
109 HA ARG 16 HA ARG 16 6.360 -2.196 -0.151
110 HB2 ARG 16 HB2 ARG 16 3.434 -1.832 0.514
111 HB3 ARG 16 HB1 ARG 16 4.186 -1.493 -1.030
112 HG2 ARG 16 HG2 ARG 16 4.148 -4.202 0.237
113 HG3 ARG 16 HG1 ARG 16 2.938 -3.635 -0.913
114 HD2 ARG 16 HD2 ARG 16 4.335 -4.626 -2.397
115 HD3 ARG 16 HD1 ARG 16 5.155 -3.068 -2.299
116 HE ARG 16 HE ARG 16 6.287 -4.574 -0.319
117 HH11 ARG 16 HH11 ARG 16 5.874 -4.940 -3.765
118 HH12 ARG 16 HH12 ARG 16 7.319 -5.873 -3.965
119 HH21 ARG 16 HH21 ARG 16 8.187 -5.802 -0.580
120 HH22 ARG 16 HH22 ARG 16 8.631 -6.364 -2.157
121 H CYS 17 HN CYS 17 4.493 -0.672 2.476
122 HA CYS 17 HA CYS 17 5.078 1.964 1.602
123 HB2 CYS 17 HB2 CYS 17 3.949 0.796 4.106
124 HB3 CYS 17 HB1 CYS 17 4.460 2.479 4.085
125 H ARG 18 HN ARG 18 6.807 -0.348 3.449
126 HA ARG 18 HA ARG 18 8.505 1.344 4.917
127 HB2 ARG 18 HB2 ARG 18 8.232 -1.413 4.531
128 HB3 ARG 18 HB1 ARG 18 9.872 -1.027 3.979
129 HG2 ARG 18 HG2 ARG 18 9.773 0.336 6.324
130 HG3 ARG 18 HG1 ARG 18 8.722 -1.032 6.694
131 HD2 ARG 18 HD2 ARG 18 11.042 -1.510 7.286
132 HD3 ARG 18 HD1 ARG 18 10.474 -2.579 6.004
133 HE ARG 18 HE ARG 18 11.668 -0.507 4.688
134 HH11 ARG 18 HH11 ARG 18 12.683 -2.768 7.145
135 HH12 ARG 18 HH12 ARG 18 14.340 -2.763 6.642
136 HH21 ARG 18 HH21 ARG 18 13.846 -0.499 4.025
137 HH22 ARG 18 HH22 ARG 18 15.001 -1.475 4.871
138 H THR 19 HN THR 19 8.927 -0.282 1.873
139 HA THR 19 HA THR 19 11.232 1.426 1.296
140 HB THR 19 HB THR 19 11.858 -0.796 1.670
141 HG1 THR 19 HG1 THR 19 11.625 -0.550 -1.158
142 HG21 THR 19 HG21 THR 19 10.910 -2.706 0.463
143 HG22 THR 19 HG22 THR 19 9.667 -1.639 -0.195
144 HG23 THR 19 HG23 THR 19 9.769 -1.906 1.550
145 H SER 20 HN SER 20 8.228 0.177 -0.049
146 HA SER 20 HA SER 20 8.787 1.509 -2.601
147 HB2 SER 20 HB2 SER 20 6.390 -0.211 -1.970
148 HB3 SER 20 HB1 SER 20 7.045 0.205 -3.553
149 HG SER 20 HG SER 20 8.745 -1.144 -3.211
150 H MET 21 HN MET 21 8.070 3.495 -2.942
151 HA MET 21 HA MET 21 6.136 4.728 -1.202
152 HB2 MET 21 HB2 MET 21 7.949 5.604 -3.375
153 HB3 MET 21 HB1 MET 21 6.497 6.566 -3.143
154 HG2 MET 21 HG2 MET 21 7.192 7.395 -1.164
155 HG3 MET 21 HG1 MET 21 8.040 5.917 -0.717
156 HE1 MET 21 HE1 MET 21 8.275 9.206 -2.987
157 HE2 MET 21 HE2 MET 21 9.819 9.701 -2.293
158 HE3 MET 21 HE3 MET 21 8.435 9.405 -1.242
159 H LYS 22 HN LYS 22 6.209 3.586 -4.531
160 HA LYS 22 HA LYS 22 3.871 4.687 -5.512
161 HB2 LYS 22 HB2 LYS 22 5.475 3.511 -6.912
162 HB3 LYS 22 HB1 LYS 22 5.091 1.991 -6.117
163 HG2 LYS 22 HG2 LYS 22 3.732 1.682 -7.863
164 HG3 LYS 22 HG1 LYS 22 2.640 2.753 -6.988
165 HD2 LYS 22 HD2 LYS 22 3.034 4.519 -8.378
166 HD3 LYS 22 HD1 LYS 22 4.686 4.008 -8.733
167 HE2 LYS 22 HE2 LYS 22 2.208 2.634 -9.764
168 HE3 LYS 22 HE1 LYS 22 3.140 3.825 -10.671
169 HZ1 LYS 22 HZ1 LYS 22 4.695 1.636 -9.597
170 HZ2 LYS 22 HZ2 LYS 22 4.732 2.339 -11.135
171 HZ3 LYS 22 HZ3 LYS 22 3.558 1.179 -10.765
172 H TYR 23 HN TYR 23 4.248 1.548 -3.879
173 HA TYR 23 HA TYR 23 1.581 0.731 -4.045
174 HB2 TYR 23 HB2 TYR 23 3.827 0.056 -2.178
175 HB3 TYR 23 HB1 TYR 23 2.227 -0.637 -1.948
176 HD1 TYR 23 HD1 TYR 23 4.229 0.022 -5.025
177 HD2 TYR 23 HD2 TYR 23 2.309 -2.848 -2.552
178 HE1 TYR 23 HE1 TYR 23 4.773 -1.739 -6.658
179 HE2 TYR 23 HE2 TYR 23 2.846 -4.617 -4.164
180 HH TYR 23 HH TYR 23 4.766 -4.892 -6.032
181 H ARG 24 HN ARG 24 3.099 2.976 -1.908
182 HA ARG 24 HA ARG 24 1.127 2.841 0.160
183 HB2 ARG 24 HB2 ARG 24 2.752 5.299 -0.137
184 HB3 ARG 24 HB1 ARG 24 2.398 4.354 1.299
185 HG2 ARG 24 HG2 ARG 24 3.986 2.626 0.431
186 HG3 ARG 24 HG1 ARG 24 4.434 3.771 -0.831
187 HD2 ARG 24 HD2 ARG 24 5.033 5.407 0.931
188 HD3 ARG 24 HD1 ARG 24 4.714 4.166 2.143
189 HE ARG 24 HE ARG 24 6.503 2.911 0.653
190 HH11 ARG 24 HH11 ARG 24 6.497 6.219 1.795
191 HH12 ARG 24 HH12 ARG 24 8.223 6.335 1.839
192 HH21 ARG 24 HH21 ARG 24 8.771 3.071 0.724
193 HH22 ARG 24 HH22 ARG 24 9.514 4.551 1.233
194 H LEU 25 HN LEU 25 1.903 5.478 -2.098
195 HA LEU 25 HA LEU 25 -0.707 6.656 -1.579
196 HB2 LEU 25 HB2 LEU 25 1.446 7.743 -3.368
197 HB3 LEU 25 HB1 LEU 25 0.150 8.623 -2.573
198 HG LEU 25 HG LEU 25 1.912 9.224 -1.239
199 HD11 LEU 25 HD11 LEU 25 1.431 8.415 0.804
200 HD12 LEU 25 HD12 LEU 25 1.676 6.737 0.321
201 HD13 LEU 25 HD13 LEU 25 0.155 7.550 -0.050
202 HD21 LEU 25 HD21 LEU 25 3.461 6.952 -0.664
203 HD22 LEU 25 HD22 LEU 25 3.899 8.339 -1.660
204 HD23 LEU 25 HD23 LEU 25 3.158 6.922 -2.401
205 H ASN 26 HN ASN 26 1.129 5.359 -4.299
206 HA ASN 26 HA ASN 26 -0.791 6.062 -6.262
207 HB2 ASN 26 HB2 ASN 26 1.767 5.378 -6.383
208 HB3 ASN 26 HB1 ASN 26 1.068 3.797 -6.731
209 HD21 ASN 26 HD21 ASN 26 2.133 6.614 -8.066
210 HD22 ASN 26 HD22 ASN 26 1.332 6.527 -9.594
211 H LEU 27 HN LEU 27 -0.258 3.082 -4.401
212 HA LEU 27 HA LEU 27 -2.533 1.873 -5.800
213 HB2 LEU 27 HB2 LEU 27 -0.273 0.780 -4.199
214 HB3 LEU 27 HB1 LEU 27 -1.772 -0.125 -4.236
215 HG LEU 27 HG LEU 27 -1.637 -0.134 -6.731
216 HD11 LEU 27 HD11 LEU 27 0.914 1.281 -6.112
217 HD12 LEU 27 HD12 LEU 27 -0.278 1.608 -7.370
218 HD13 LEU 27 HD13 LEU 27 0.810 0.228 -7.524
219 HD21 LEU 27 HD21 LEU 27 -0.225 -1.990 -6.806
220 HD22 LEU 27 HD22 LEU 27 -0.790 -1.949 -5.136
221 HD23 LEU 27 HD23 LEU 27 0.824 -1.360 -5.536
222 H CYS 28 HN CYS 28 -2.063 0.584 -2.656
223 HA CYS 28 HA CYS 28 -4.630 1.678 -1.832
224 HB2 CYS 28 HB2 CYS 28 -4.462 0.060 -0.030
225 HB3 CYS 28 HB1 CYS 28 -4.055 -0.728 -1.558
226 H LYS 29 HN LYS 29 -4.936 2.872 0.037
227 HA LYS 29 HA LYS 29 -2.695 4.503 0.833
228 HB2 LYS 29 HB2 LYS 29 -5.609 4.572 1.619
229 HB3 LYS 29 HB1 LYS 29 -4.403 5.723 2.182
230 HG2 LYS 29 HG2 LYS 29 -4.348 5.492 -0.694
231 HG3 LYS 29 HG1 LYS 29 -5.965 5.904 -0.115
232 HD2 LYS 29 HD2 LYS 29 -5.335 7.958 0.563
233 HD3 LYS 29 HD1 LYS 29 -3.779 7.388 1.171
234 HE2 LYS 29 HE2 LYS 29 -2.879 7.350 -1.076
235 HE3 LYS 29 HE1 LYS 29 -4.447 7.805 -1.741
236 HZ1 LYS 29 HZ1 LYS 29 -4.059 9.795 -0.033
237 HZ2 LYS 29 HZ2 LYS 29 -3.537 9.849 -1.641
238 HZ3 LYS 29 HZ3 LYS 29 -2.447 9.445 -0.412
239 H LYS 30 HN LYS 30 -5.136 2.600 2.567
240 HA LYS 30 HA LYS 30 -3.560 2.613 4.968
241 HB2 LYS 30 HB2 LYS 30 -5.937 2.810 5.171
242 HB3 LYS 30 HB1 LYS 30 -6.186 1.313 4.281
243 HG2 LYS 30 HG2 LYS 30 -6.502 0.693 6.492
244 HG3 LYS 30 HG1 LYS 30 -4.836 0.211 6.160
245 HD2 LYS 30 HD2 LYS 30 -3.972 1.733 7.574
246 HD3 LYS 30 HD1 LYS 30 -5.183 2.951 7.167
247 HE2 LYS 30 HE2 LYS 30 -6.578 2.308 8.824
248 HE3 LYS 30 HE1 LYS 30 -6.177 0.601 8.640
249 HZ1 LYS 30 HZ1 LYS 30 -3.904 1.454 9.632
250 HZ2 LYS 30 HZ2 LYS 30 -5.196 1.008 10.627
251 HZ3 LYS 30 HZ3 LYS 30 -4.907 2.641 10.299
252 H THR 31 HN THR 31 -4.805 -0.041 2.905
253 HA THR 31 HA THR 31 -3.767 -2.149 4.277
254 HB THR 31 HB THR 31 -3.875 -1.917 1.273
255 HG1 THR 31 HG1 THR 31 -5.924 -2.935 1.612
256 HG21 THR 31 HG21 THR 31 -3.935 -4.249 1.160
257 HG22 THR 31 HG22 THR 31 -4.135 -4.409 2.904
258 HG23 THR 31 HG23 THR 31 -2.593 -3.873 2.242
259 H CYS 32 HN CYS 32 -1.961 0.069 2.298
260 HA CYS 32 HA CYS 32 0.388 -1.605 2.180
261 HB2 CYS 32 HB2 CYS 32 0.184 -0.028 0.412
262 HB3 CYS 32 HB1 CYS 32 -0.054 1.311 1.527
263 H GLY 33 HN GLY 33 -1.006 0.365 4.527
264 HA2 GLY 33 HA2 GLY 33 -0.309 0.546 6.751
265 HA3 GLY 33 HA1 GLY 33 1.278 -0.036 6.277
266 H THR 34 HN THR 34 -0.705 2.774 5.299
267 HA THR 34 HA THR 34 1.377 4.540 6.346
268 HB THR 34 HB THR 34 2.065 4.334 4.067
269 HG1 THR 34 HG1 THR 34 1.999 6.473 4.892
270 HG21 THR 34 HG21 THR 34 0.652 4.814 2.169
271 HG22 THR 34 HG22 THR 34 -0.735 5.032 3.237
272 HG23 THR 34 HG23 THR 34 0.020 3.443 3.081
273 H CYS 35 HN CYS 35 -1.883 4.159 5.058
274 HA CYS 35 HA CYS 35 -2.814 6.759 5.468
275 HB2 CYS 35 HB2 CYS 35 -3.915 4.487 4.492
276 HB3 CYS 35 HB1 CYS 35 -4.731 4.589 6.044
Start of MODEL 11
1 H1 ALA 2 HT1 ALA 2 -12.045 7.596 7.030
2 H2 ALA 2 HT2 ALA 2 -11.774 8.671 5.720
3 H3 ALA 2 HT3 ALA 2 -10.522 7.620 6.244
4 HA ALA 2 HA ALA 2 -12.148 5.777 5.720
5 HB1 ALA 2 HB1 ALA 2 -13.967 6.210 4.434
6 HB2 ALA 2 HB2 ALA 2 -13.228 7.613 3.663
7 HB3 ALA 2 HB3 ALA 2 -13.886 7.748 5.293
8 H CYS 3 HN CYS 3 -10.260 4.893 5.006
9 HA CYS 3 HA CYS 3 -9.115 5.962 2.515
10 HB2 CYS 3 HB2 CYS 3 -7.924 5.062 4.945
11 HB3 CYS 3 HB1 CYS 3 -7.439 3.957 3.663
12 H LYS 4 HN LYS 4 -8.151 4.259 1.055
13 HA LYS 4 HA LYS 4 -9.512 1.689 1.155
14 HB2 LYS 4 HB2 LYS 4 -9.763 3.567 -1.202
15 HB3 LYS 4 HB1 LYS 4 -10.296 1.892 -1.185
16 HG2 LYS 4 HG2 LYS 4 -11.343 3.980 0.708
17 HG3 LYS 4 HG1 LYS 4 -12.095 3.597 -0.842
18 HD2 LYS 4 HD2 LYS 4 -12.105 1.165 0.006
19 HD3 LYS 4 HD1 LYS 4 -11.820 1.871 1.598
20 HE2 LYS 4 HE2 LYS 4 -13.936 3.292 0.303
21 HE3 LYS 4 HE1 LYS 4 -14.274 1.563 0.233
22 HZ1 LYS 4 HZ1 LYS 4 -14.127 3.335 2.541
23 HZ2 LYS 4 HZ2 LYS 4 -13.524 1.769 2.754
24 HZ3 LYS 4 HZ3 LYS 4 -15.126 1.998 2.263
25 H ASP 5 HN ASP 5 -8.756 0.226 -0.608
26 HA ASP 5 HA ASP 5 -5.952 0.786 -1.243
27 HB2 ASP 5 HB2 ASP 5 -5.549 -1.658 -0.947
28 HB3 ASP 5 HB1 ASP 5 -6.040 -0.832 0.530
29 H TYR 6 HN TYR 6 -5.296 0.465 -3.246
30 HA TYR 6 HA TYR 6 -7.189 -0.019 -5.320
31 HB2 TYR 6 HB2 TYR 6 -4.531 1.003 -5.112
32 HB3 TYR 6 HB1 TYR 6 -4.534 -0.269 -6.328
33 HD1 TYR 6 HD1 TYR 6 -6.644 2.655 -5.326
34 HD2 TYR 6 HD2 TYR 6 -4.957 0.375 -8.497
35 HE1 TYR 6 HE1 TYR 6 -7.595 4.231 -6.957
36 HE2 TYR 6 HE2 TYR 6 -5.902 1.945 -10.137
37 HH TYR 6 HH TYR 6 -6.735 4.803 -9.680
38 H LEU 7 HN LEU 7 -5.203 -2.053 -3.412
39 HA LEU 7 HA LEU 7 -5.896 -4.333 -5.129
40 HB2 LEU 7 HB2 LEU 7 -3.206 -3.542 -4.118
41 HB3 LEU 7 HB1 LEU 7 -3.572 -5.230 -4.242
42 HG LEU 7 HG LEU 7 -4.133 -3.561 -6.621
43 HD11 LEU 7 HD11 LEU 7 -2.058 -2.676 -6.468
44 HD12 LEU 7 HD12 LEU 7 -1.614 -4.229 -7.176
45 HD13 LEU 7 HD13 LEU 7 -1.461 -3.976 -5.438
46 HD21 LEU 7 HD21 LEU 7 -4.548 -5.634 -7.326
47 HD22 LEU 7 HD22 LEU 7 -3.708 -6.361 -5.960
48 HD23 LEU 7 HD23 LEU 7 -2.798 -5.840 -7.374
49 HA PRO 8 HA PRO 8 -6.882 -6.316 -1.311
50 HB2 PRO 8 HB2 PRO 8 -6.239 -8.871 -1.606
51 HB3 PRO 8 HB1 PRO 8 -7.432 -8.108 -2.668
52 HG2 PRO 8 HG2 PRO 8 -4.574 -8.748 -3.168
53 HG3 PRO 8 HG1 PRO 8 -5.966 -8.895 -4.254
54 HD2 PRO 8 HD2 PRO 8 -4.146 -6.800 -4.227
55 HD3 PRO 8 HD1 PRO 8 -5.735 -6.719 -4.978
56 H LYS 9 HN LYS 9 -6.156 -7.548 0.532
57 HA LYS 9 HA LYS 9 -3.932 -6.454 1.751
58 HB2 LYS 9 HB2 LYS 9 -5.193 -9.113 2.431
59 HB3 LYS 9 HB1 LYS 9 -4.229 -8.108 3.505
60 HG2 LYS 9 HG2 LYS 9 -6.628 -6.868 2.294
61 HG3 LYS 9 HG1 LYS 9 -6.886 -8.104 3.528
62 HD2 LYS 9 HD2 LYS 9 -5.035 -5.763 3.919
63 HD3 LYS 9 HD1 LYS 9 -6.745 -5.714 4.352
64 HE2 LYS 9 HE2 LYS 9 -4.924 -7.874 5.364
65 HE3 LYS 9 HE1 LYS 9 -5.056 -6.319 6.184
66 HZ1 LYS 9 HZ1 LYS 9 -7.089 -8.424 5.866
67 HZ2 LYS 9 HZ2 LYS 9 -7.573 -6.820 6.098
68 HZ3 LYS 9 HZ3 LYS 9 -6.621 -7.593 7.263
69 H SER 10 HN SER 10 -4.063 -9.126 -0.431
70 HA SER 10 HA SER 10 -1.581 -10.304 0.396
71 HB2 SER 10 HB2 SER 10 -2.810 -10.757 -2.303
72 HB3 SER 10 HB1 SER 10 -1.933 -11.890 -1.275
73 HG SER 10 HG SER 10 -4.602 -11.183 -1.262
74 H GLU 11 HN GLU 11 -2.459 -7.674 -1.662
75 HA GLU 11 HA GLU 11 0.117 -7.747 -3.055
76 HB2 GLU 11 HB2 GLU 11 -2.539 -6.703 -3.569
77 HB3 GLU 11 HB1 GLU 11 -1.305 -5.495 -3.872
78 HG2 GLU 11 HG2 GLU 11 -0.649 -8.092 -5.006
79 HG3 GLU 11 HG1 GLU 11 -2.176 -7.446 -5.611
80 H CYS 12 HN CYS 12 -1.795 -5.782 -0.881
81 HA CYS 12 HA CYS 12 0.356 -3.826 -0.674
82 HB2 CYS 12 HB2 CYS 12 -2.543 -3.882 -0.067
83 HB3 CYS 12 HB1 CYS 12 -1.541 -2.805 0.916
84 H THR 13 HN THR 13 1.896 -4.328 0.698
85 HA THR 13 HA THR 13 1.134 -5.484 3.301
86 HB THR 13 HB THR 13 3.532 -6.407 3.267
87 HG1 THR 13 HG1 THR 13 4.647 -6.279 1.478
88 HG21 THR 13 HG21 THR 13 1.846 -7.527 1.044
89 HG22 THR 13 HG22 THR 13 1.437 -7.753 2.748
90 HG23 THR 13 HG23 THR 13 2.963 -8.373 2.119
91 H GLN 14 HN GLN 14 2.060 -4.599 5.145
92 HA GLN 14 HA GLN 14 2.653 -1.911 5.218
93 HB2 GLN 14 HB2 GLN 14 3.474 -4.148 7.067
94 HB3 GLN 14 HB1 GLN 14 3.859 -2.467 7.410
95 HG2 GLN 14 HG2 GLN 14 1.904 -2.868 8.605
96 HG3 GLN 14 HG1 GLN 14 1.362 -2.021 7.157
97 HE21 GLN 14 HE21 GLN 14 0.108 -3.091 5.656
98 HE22 GLN 14 HE22 GLN 14 -0.576 -4.650 5.947
99 H PHE 15 HN PHE 15 4.683 -4.593 4.438
100 HA PHE 15 HA PHE 15 7.218 -3.421 4.669
101 HB2 PHE 15 HB2 PHE 15 6.020 -5.784 3.427
102 HB3 PHE 15 HB1 PHE 15 7.415 -5.184 2.550
103 HD1 PHE 15 HD2 PHE 15 9.579 -4.874 3.819
104 HD2 PHE 15 HD1 PHE 15 6.262 -7.024 5.393
105 HE1 PHE 15 HE2 PHE 15 11.068 -5.973 5.435
106 HE2 PHE 15 HE1 PHE 15 7.745 -8.130 7.017
107 HZ PHE 15 HZ PHE 15 10.152 -7.605 7.039
108 H ARG 16 HN ARG 16 4.843 -3.439 2.064
109 HA ARG 16 HA ARG 16 6.357 -2.331 0.019
110 HB2 ARG 16 HB2 ARG 16 3.423 -1.897 0.601
111 HB3 ARG 16 HB1 ARG 16 4.212 -1.584 -0.932
112 HG2 ARG 16 HG2 ARG 16 4.134 -4.276 0.369
113 HG3 ARG 16 HG1 ARG 16 2.944 -3.719 -0.807
114 HD2 ARG 16 HD2 ARG 16 4.355 -4.718 -2.267
115 HD3 ARG 16 HD1 ARG 16 5.201 -3.176 -2.152
116 HE ARG 16 HE ARG 16 6.912 -4.229 -1.046
117 HH11 ARG 16 HH11 ARG 16 4.143 -6.350 -1.149
118 HH12 ARG 16 HH12 ARG 16 5.013 -7.720 -0.546
119 HH21 ARG 16 HH21 ARG 16 8.058 -6.030 -0.251
120 HH22 ARG 16 HH22 ARG 16 7.235 -7.539 -0.035
121 H CYS 17 HN CYS 17 4.432 -0.629 2.492
122 HA CYS 17 HA CYS 17 5.144 1.940 1.524
123 HB2 CYS 17 HB2 CYS 17 3.872 0.929 4.028
124 HB3 CYS 17 HB1 CYS 17 4.436 2.593 3.950
125 H ARG 18 HN ARG 18 6.725 -0.335 3.530
126 HA ARG 18 HA ARG 18 8.412 1.375 4.995
127 HB2 ARG 18 HB2 ARG 18 8.069 -1.397 4.706
128 HB3 ARG 18 HB1 ARG 18 9.753 -1.070 4.260
129 HG2 ARG 18 HG2 ARG 18 9.232 0.407 6.607
130 HG3 ARG 18 HG1 ARG 18 8.535 -1.194 6.861
131 HD2 ARG 18 HD2 ARG 18 10.848 -1.958 5.822
132 HD3 ARG 18 HD1 ARG 18 11.366 -0.389 6.439
133 HE ARG 18 HE ARG 18 9.937 -1.998 8.354
134 HH11 ARG 18 HH11 ARG 18 13.063 -1.248 6.992
135 HH12 ARG 18 HH12 ARG 18 13.938 -1.795 8.382
136 HH21 ARG 18 HH21 ARG 18 11.087 -2.718 10.182
137 HH22 ARG 18 HH22 ARG 18 12.817 -2.631 10.193
138 H THR 19 HN THR 19 8.904 -0.414 2.058
139 HA THR 19 HA THR 19 11.288 1.189 1.493
140 HB THR 19 HB THR 19 11.813 -1.036 2.005
141 HG1 THR 19 HG1 THR 19 13.083 -1.108 0.335
142 HG21 THR 19 HG21 THR 19 9.680 -1.885 0.076
143 HG22 THR 19 HG22 THR 19 9.696 -2.078 1.832
144 HG23 THR 19 HG23 THR 19 10.855 -2.965 0.833
145 H SER 20 HN SER 20 8.299 -0.040 0.097
146 HA SER 20 HA SER 20 8.982 1.124 -2.503
147 HB2 SER 20 HB2 SER 20 7.066 -0.936 -1.564
148 HB3 SER 20 HB1 SER 20 6.548 0.053 -2.929
149 HG SER 20 HG SER 20 7.660 -1.727 -3.708
150 H MET 21 HN MET 21 8.403 3.135 -2.945
151 HA MET 21 HA MET 21 6.508 4.554 -1.314
152 HB2 MET 21 HB2 MET 21 8.501 5.209 -3.366
153 HB3 MET 21 HB1 MET 21 7.069 6.228 -3.413
154 HG2 MET 21 HG2 MET 21 7.985 7.448 -1.816
155 HG3 MET 21 HG1 MET 21 7.742 6.089 -0.723
156 HE1 MET 21 HE1 MET 21 10.309 7.416 -3.496
157 HE2 MET 21 HE2 MET 21 11.653 7.682 -2.386
158 HE3 MET 21 HE3 MET 21 10.122 8.520 -2.133
159 H LYS 22 HN LYS 22 6.535 3.215 -4.569
160 HA LYS 22 HA LYS 22 4.275 4.474 -5.601
161 HB2 LYS 22 HB2 LYS 22 5.794 3.201 -6.997
162 HB3 LYS 22 HB1 LYS 22 5.363 1.714 -6.165
163 HG2 LYS 22 HG2 LYS 22 2.981 2.165 -6.979
164 HG3 LYS 22 HG1 LYS 22 3.718 3.337 -8.073
165 HD2 LYS 22 HD2 LYS 22 4.960 0.659 -7.996
166 HD3 LYS 22 HD1 LYS 22 3.342 0.746 -8.694
167 HE2 LYS 22 HE2 LYS 22 4.174 1.574 -10.580
168 HE3 LYS 22 HE1 LYS 22 4.898 2.918 -9.698
169 HZ1 LYS 22 HZ1 LYS 22 6.693 1.144 -9.132
170 HZ2 LYS 22 HZ2 LYS 22 6.728 1.936 -10.626
171 HZ3 LYS 22 HZ3 LYS 22 6.104 0.368 -10.515
172 H TYR 23 HN TYR 23 4.464 1.291 -4.017
173 HA TYR 23 HA TYR 23 1.788 0.601 -4.146
174 HB2 TYR 23 HB2 TYR 23 3.975 -0.083 -2.216
175 HB3 TYR 23 HB1 TYR 23 2.343 -0.692 -1.968
176 HD1 TYR 23 HD1 TYR 23 4.373 -0.258 -5.064
177 HD2 TYR 23 HD2 TYR 23 2.346 -2.934 -2.462
178 HE1 TYR 23 HE1 TYR 23 4.845 -2.113 -6.615
179 HE2 TYR 23 HE2 TYR 23 2.810 -4.794 -3.990
180 HH TYR 23 HH TYR 23 4.657 -5.266 -5.816
181 H ARG 24 HN ARG 24 3.343 2.867 -2.056
182 HA ARG 24 HA ARG 24 1.325 2.897 -0.032
183 HB2 ARG 24 HB2 ARG 24 3.027 5.291 -0.432
184 HB3 ARG 24 HB1 ARG 24 2.616 4.443 1.048
185 HG2 ARG 24 HG2 ARG 24 4.155 2.605 0.268
186 HG3 ARG 24 HG1 ARG 24 4.695 3.717 -0.987
187 HD2 ARG 24 HD2 ARG 24 5.270 5.356 0.785
188 HD3 ARG 24 HD1 ARG 24 4.867 4.135 1.991
189 HE ARG 24 HE ARG 24 6.670 2.808 0.600
190 HH11 ARG 24 HH11 ARG 24 6.730 6.140 1.670
191 HH12 ARG 24 HH12 ARG 24 8.457 6.211 1.747
192 HH21 ARG 24 HH21 ARG 24 8.941 2.912 0.711
193 HH22 ARG 24 HH22 ARG 24 9.711 4.382 1.205
194 H LEU 25 HN LEU 25 2.211 5.401 -2.398
195 HA LEU 25 HA LEU 25 -0.393 6.647 -2.015
196 HB2 LEU 25 HB2 LEU 25 1.829 7.617 -3.786
197 HB3 LEU 25 HB1 LEU 25 0.528 8.552 -3.066
198 HG LEU 25 HG LEU 25 2.261 9.184 -1.711
199 HD11 LEU 25 HD11 LEU 25 1.955 6.772 -0.052
200 HD12 LEU 25 HD12 LEU 25 0.452 7.580 -0.499
201 HD13 LEU 25 HD13 LEU 25 1.713 8.472 0.350
202 HD21 LEU 25 HD21 LEU 25 3.498 6.813 -2.739
203 HD22 LEU 25 HD22 LEU 25 3.766 6.927 -0.999
204 HD23 LEU 25 HD23 LEU 25 4.242 8.256 -2.055
205 H ASN 26 HN ASN 26 1.505 5.161 -4.579
206 HA ASN 26 HA ASN 26 -0.308 5.798 -6.662
207 HB2 ASN 26 HB2 ASN 26 2.216 5.078 -6.671
208 HB3 ASN 26 HB1 ASN 26 1.534 3.462 -6.852
209 HD21 ASN 26 HD21 ASN 26 3.101 5.160 -8.700
210 HD22 ASN 26 HD22 ASN 26 2.153 5.261 -10.141
211 H LEU 27 HN LEU 27 0.059 2.933 -4.598
212 HA LEU 27 HA LEU 27 -2.212 1.712 -5.994
213 HB2 LEU 27 HB2 LEU 27 -0.058 0.636 -4.230
214 HB3 LEU 27 HB1 LEU 27 -1.576 -0.230 -4.337
215 HG LEU 27 HG LEU 27 -1.282 -0.350 -6.807
216 HD11 LEU 27 HD11 LEU 27 1.486 0.675 -6.206
217 HD12 LEU 27 HD12 LEU 27 0.219 1.581 -7.033
218 HD13 LEU 27 HD13 LEU 27 0.884 0.122 -7.769
219 HD21 LEU 27 HD21 LEU 27 0.156 -2.205 -6.731
220 HD22 LEU 27 HD22 LEU 27 -0.578 -2.123 -5.130
221 HD23 LEU 27 HD23 LEU 27 1.071 -1.545 -5.375
222 H CYS 28 HN CYS 28 -1.932 0.537 -2.805
223 HA CYS 28 HA CYS 28 -4.450 1.804 -2.103
224 HB2 CYS 28 HB2 CYS 28 -4.402 0.275 -0.213
225 HB3 CYS 28 HB1 CYS 28 -4.035 -0.603 -1.701
226 H LYS 29 HN LYS 29 -4.764 3.079 -0.298
227 HA LYS 29 HA LYS 29 -2.489 4.655 0.506
228 HB2 LYS 29 HB2 LYS 29 -5.442 4.866 1.052
229 HB3 LYS 29 HB1 LYS 29 -4.262 5.920 1.826
230 HG2 LYS 29 HG2 LYS 29 -4.121 5.688 -1.121
231 HG3 LYS 29 HG1 LYS 29 -5.502 6.558 -0.443
232 HD2 LYS 29 HD2 LYS 29 -2.884 7.241 0.719
233 HD3 LYS 29 HD1 LYS 29 -3.099 7.689 -0.974
234 HE2 LYS 29 HE2 LYS 29 -5.293 8.744 -0.268
235 HE3 LYS 29 HE1 LYS 29 -4.753 8.523 1.396
236 HZ1 LYS 29 HZ1 LYS 29 -3.586 10.245 -0.701
237 HZ2 LYS 29 HZ2 LYS 29 -2.682 9.778 0.650
238 HZ3 LYS 29 HZ3 LYS 29 -4.103 10.674 0.852
239 H LYS 30 HN LYS 30 -5.048 2.899 2.239
240 HA LYS 30 HA LYS 30 -3.537 2.981 4.682
241 HB2 LYS 30 HB2 LYS 30 -5.908 3.242 4.817
242 HB3 LYS 30 HB1 LYS 30 -6.175 1.721 3.975
243 HG2 LYS 30 HG2 LYS 30 -6.565 1.179 6.191
244 HG3 LYS 30 HG1 LYS 30 -4.898 0.657 5.931
245 HD2 LYS 30 HD2 LYS 30 -4.034 2.280 7.258
246 HD3 LYS 30 HD1 LYS 30 -5.310 3.433 6.865
247 HE2 LYS 30 HE2 LYS 30 -5.362 2.652 9.223
248 HE3 LYS 30 HE1 LYS 30 -6.848 2.322 8.334
249 HZ1 LYS 30 HZ1 LYS 30 -5.572 0.504 9.793
250 HZ2 LYS 30 HZ2 LYS 30 -4.854 0.212 8.290
251 HZ3 LYS 30 HZ3 LYS 30 -6.534 0.112 8.457
252 H THR 31 HN THR 31 -4.795 0.263 2.712
253 HA THR 31 HA THR 31 -3.836 -1.798 4.210
254 HB THR 31 HB THR 31 -3.915 -1.720 1.198
255 HG1 THR 31 HG1 THR 31 -5.997 -2.698 1.608
256 HG21 THR 31 HG21 THR 31 -2.700 -3.658 2.296
257 HG22 THR 31 HG22 THR 31 -4.030 -4.048 1.202
258 HG23 THR 31 HG23 THR 31 -4.272 -4.118 2.946
259 H CYS 32 HN CYS 32 -1.952 0.259 2.132
260 HA CYS 32 HA CYS 32 0.340 -1.493 2.118
261 HB2 CYS 32 HB2 CYS 32 0.228 -0.012 0.274
262 HB3 CYS 32 HB1 CYS 32 -0.015 1.392 1.306
263 H GLY 33 HN GLY 33 -1.015 0.580 4.378
264 HA2 GLY 33 HA2 GLY 33 -0.330 0.821 6.598
265 HA3 GLY 33 HA1 GLY 33 1.246 0.189 6.156
266 H THR 34 HN THR 34 -0.607 2.999 4.959
267 HA THR 34 HA THR 34 1.498 4.744 6.016
268 HB THR 34 HB THR 34 2.217 4.520 3.777
269 HG1 THR 34 HG1 THR 34 1.883 6.724 4.587
270 HG21 THR 34 HG21 THR 34 0.094 3.529 2.895
271 HG22 THR 34 HG22 THR 34 0.900 4.682 1.833
272 HG23 THR 34 HG23 THR 34 -0.518 5.177 2.753
273 H CYS 35 HN CYS 35 -1.767 4.422 4.726
274 HA CYS 35 HA CYS 35 -2.641 7.044 5.051
275 HB2 CYS 35 HB2 CYS 35 -3.918 5.192 3.942
276 HB3 CYS 35 HB1 CYS 35 -4.316 4.579 5.544
Start of MODEL 12
1 H1 ALA 2 HT1 ALA 2 -10.041 8.541 5.995
2 H2 ALA 2 HT2 ALA 2 -11.597 8.508 6.718
3 H3 ALA 2 HT3 ALA 2 -11.418 9.001 5.084
4 HA ALA 2 HA ALA 2 -10.812 6.327 6.148
5 HB1 ALA 2 HB1 ALA 2 -13.117 7.150 4.396
6 HB2 ALA 2 HB2 ALA 2 -13.236 6.977 6.147
7 HB3 ALA 2 HB3 ALA 2 -12.835 5.580 5.148
8 H CYS 3 HN CYS 3 -9.249 5.461 4.964
9 HA CYS 3 HA CYS 3 -8.882 6.341 2.195
10 HB2 CYS 3 HB2 CYS 3 -7.041 4.570 3.803
11 HB3 CYS 3 HB1 CYS 3 -6.671 5.451 2.327
12 H LYS 4 HN LYS 4 -7.972 4.490 0.741
13 HA LYS 4 HA LYS 4 -9.417 1.983 1.193
14 HB2 LYS 4 HB2 LYS 4 -9.644 3.699 -1.283
15 HB3 LYS 4 HB1 LYS 4 -10.162 2.020 -1.210
16 HG2 LYS 4 HG2 LYS 4 -11.221 3.974 0.779
17 HG3 LYS 4 HG1 LYS 4 -11.880 3.941 -0.858
18 HD2 LYS 4 HD2 LYS 4 -11.903 1.307 -0.277
19 HD3 LYS 4 HD1 LYS 4 -12.140 1.985 1.335
20 HE2 LYS 4 HE2 LYS 4 -14.043 3.273 0.525
21 HE3 LYS 4 HE1 LYS 4 -13.794 2.640 -1.101
22 HZ1 LYS 4 HZ1 LYS 4 -15.312 1.146 -0.425
23 HZ2 LYS 4 HZ2 LYS 4 -14.985 1.368 1.220
24 HZ3 LYS 4 HZ3 LYS 4 -13.981 0.379 0.285
25 H ASP 5 HN ASP 5 -8.801 0.352 -0.594
26 HA ASP 5 HA ASP 5 -5.953 0.678 -1.209
27 HB2 ASP 5 HB2 ASP 5 -5.653 -1.722 -0.805
28 HB3 ASP 5 HB1 ASP 5 -6.265 -0.904 0.628
29 H TYR 6 HN TYR 6 -5.331 0.329 -3.204
30 HA TYR 6 HA TYR 6 -7.264 -0.174 -5.256
31 HB2 TYR 6 HB2 TYR 6 -4.739 1.050 -5.104
32 HB3 TYR 6 HB1 TYR 6 -4.529 -0.321 -6.188
33 HD1 TYR 6 HD2 TYR 6 -7.225 2.215 -5.612
34 HD2 TYR 6 HD1 TYR 6 -4.663 0.280 -8.404
35 HE1 TYR 6 HE2 TYR 6 -8.240 3.515 -7.436
36 HE2 TYR 6 HE1 TYR 6 -5.670 1.575 -10.235
37 HH TYR 6 HH TYR 6 -6.990 4.062 -10.222
38 H LEU 7 HN LEU 7 -5.391 -2.190 -3.293
39 HA LEU 7 HA LEU 7 -5.949 -4.458 -5.058
40 HB2 LEU 7 HB2 LEU 7 -3.276 -3.602 -4.059
41 HB3 LEU 7 HB1 LEU 7 -3.598 -5.299 -4.178
42 HG LEU 7 HG LEU 7 -4.203 -3.628 -6.550
43 HD11 LEU 7 HD11 LEU 7 -1.666 -4.349 -7.090
44 HD12 LEU 7 HD12 LEU 7 -1.536 -3.991 -5.369
45 HD13 LEU 7 HD13 LEU 7 -2.129 -2.759 -6.484
46 HD21 LEU 7 HD21 LEU 7 -2.941 -5.859 -7.409
47 HD22 LEU 7 HD22 LEU 7 -4.683 -5.731 -7.165
48 HD23 LEU 7 HD23 LEU 7 -3.668 -6.441 -5.913
49 HA PRO 8 HA PRO 8 -6.876 -6.512 -1.267
50 HB2 PRO 8 HB2 PRO 8 -6.176 -9.045 -1.599
51 HB3 PRO 8 HB1 PRO 8 -7.382 -8.296 -2.655
52 HG2 PRO 8 HG2 PRO 8 -4.503 -8.849 -3.149
53 HG3 PRO 8 HG1 PRO 8 -5.885 -9.035 -4.241
54 HD2 PRO 8 HD2 PRO 8 -4.141 -6.881 -4.204
55 HD3 PRO 8 HD1 PRO 8 -5.739 -6.841 -4.939
56 H LYS 9 HN LYS 9 -6.112 -7.752 0.559
57 HA LYS 9 HA LYS 9 -3.912 -6.626 1.790
58 HB2 LYS 9 HB2 LYS 9 -5.034 -9.349 2.447
59 HB3 LYS 9 HB1 LYS 9 -4.187 -8.257 3.535
60 HG2 LYS 9 HG2 LYS 9 -6.511 -7.005 2.343
61 HG3 LYS 9 HG1 LYS 9 -6.924 -8.483 3.215
62 HD2 LYS 9 HD2 LYS 9 -5.942 -7.663 5.226
63 HD3 LYS 9 HD1 LYS 9 -5.220 -6.290 4.384
64 HE2 LYS 9 HE2 LYS 9 -7.151 -5.112 4.371
65 HE3 LYS 9 HE1 LYS 9 -8.151 -6.549 4.166
66 HZ1 LYS 9 HZ1 LYS 9 -8.684 -6.161 6.293
67 HZ2 LYS 9 HZ2 LYS 9 -7.317 -5.210 6.589
68 HZ3 LYS 9 HZ3 LYS 9 -7.202 -6.896 6.647
69 H SER 10 HN SER 10 -3.981 -9.259 -0.441
70 HA SER 10 HA SER 10 -1.464 -10.381 0.369
71 HB2 SER 10 HB2 SER 10 -3.559 -11.369 -1.037
72 HB3 SER 10 HB1 SER 10 -2.459 -10.959 -2.353
73 HG SER 10 HG SER 10 -1.449 -12.723 -1.863
74 H GLU 11 HN GLU 11 -2.409 -7.758 -1.670
75 HA GLU 11 HA GLU 11 0.151 -7.806 -3.095
76 HB2 GLU 11 HB2 GLU 11 -2.518 -6.768 -3.578
77 HB3 GLU 11 HB1 GLU 11 -1.283 -5.570 -3.914
78 HG2 GLU 11 HG2 GLU 11 -0.623 -8.163 -5.030
79 HG3 GLU 11 HG1 GLU 11 -2.187 -7.574 -5.599
80 H CYS 12 HN CYS 12 -1.743 -5.851 -0.895
81 HA CYS 12 HA CYS 12 0.422 -3.904 -0.715
82 HB2 CYS 12 HB2 CYS 12 -2.477 -3.913 -0.137
83 HB3 CYS 12 HB1 CYS 12 -1.476 -2.872 0.886
84 H THR 13 HN THR 13 1.948 -4.379 0.660
85 HA THR 13 HA THR 13 1.201 -5.550 3.259
86 HB THR 13 HB THR 13 3.617 -6.448 3.201
87 HG1 THR 13 HG1 THR 13 3.300 -6.018 0.424
88 HG21 THR 13 HG21 THR 13 1.900 -7.595 1.015
89 HG22 THR 13 HG22 THR 13 1.522 -7.813 2.728
90 HG23 THR 13 HG23 THR 13 3.042 -8.426 2.077
91 H GLN 14 HN GLN 14 2.142 -4.674 5.104
92 HA GLN 14 HA GLN 14 2.703 -1.983 5.197
93 HB2 GLN 14 HB2 GLN 14 3.571 -4.228 7.012
94 HB3 GLN 14 HB1 GLN 14 3.945 -2.547 7.369
95 HG2 GLN 14 HG2 GLN 14 2.008 -2.980 8.583
96 HG3 GLN 14 HG1 GLN 14 1.442 -2.120 7.152
97 HE21 GLN 14 HE21 GLN 14 0.194 -3.190 5.639
98 HE22 GLN 14 HE22 GLN 14 -0.479 -4.755 5.922
99 H PHE 15 HN PHE 15 4.762 -4.628 4.372
100 HA PHE 15 HA PHE 15 7.285 -3.434 4.587
101 HB2 PHE 15 HB2 PHE 15 6.095 -5.788 3.326
102 HB3 PHE 15 HB1 PHE 15 7.470 -5.161 2.435
103 HD1 PHE 15 HD2 PHE 15 9.648 -4.840 3.678
104 HD2 PHE 15 HD1 PHE 15 6.382 -7.058 5.264
105 HE1 PHE 15 HE2 PHE 15 11.175 -5.947 5.251
106 HE2 PHE 15 HE1 PHE 15 7.904 -8.174 6.846
107 HZ PHE 15 HZ PHE 15 10.305 -7.619 6.840
108 H ARG 16 HN ARG 16 4.863 -3.386 2.040
109 HA ARG 16 HA ARG 16 6.366 -2.256 -0.013
110 HB2 ARG 16 HB2 ARG 16 3.435 -1.795 0.557
111 HB3 ARG 16 HB1 ARG 16 4.237 -1.583 -0.984
112 HG2 ARG 16 HG2 ARG 16 4.060 -4.195 0.461
113 HG3 ARG 16 HG1 ARG 16 2.927 -3.670 -0.783
114 HD2 ARG 16 HD2 ARG 16 4.321 -4.706 -2.201
115 HD3 ARG 16 HD1 ARG 16 5.331 -3.274 -2.008
116 HE ARG 16 HE ARG 16 6.155 -4.833 0.018
117 HH11 ARG 16 HH11 ARG 16 5.694 -5.477 -3.382
118 HH12 ARG 16 HH12 ARG 16 6.931 -6.686 -3.448
119 HH21 ARG 16 HH21 ARG 16 7.782 -6.423 -0.069
120 HH22 ARG 16 HH22 ARG 16 8.116 -7.224 -1.568
121 H CYS 17 HN CYS 17 4.458 -0.614 2.515
122 HA CYS 17 HA CYS 17 5.127 1.977 1.567
123 HB2 CYS 17 HB2 CYS 17 3.892 0.925 4.072
124 HB3 CYS 17 HB1 CYS 17 4.440 2.595 4.008
125 H ARG 18 HN ARG 18 6.741 -0.303 3.552
126 HA ARG 18 HA ARG 18 8.425 1.388 5.028
127 HB2 ARG 18 HB2 ARG 18 8.121 -1.373 4.680
128 HB3 ARG 18 HB1 ARG 18 9.787 -1.019 4.186
129 HG2 ARG 18 HG2 ARG 18 8.551 -0.210 6.827
130 HG3 ARG 18 HG1 ARG 18 9.561 -1.636 6.574
131 HD2 ARG 18 HD2 ARG 18 11.471 -0.386 6.234
132 HD3 ARG 18 HD1 ARG 18 10.571 1.047 5.742
133 HE ARG 18 HE ARG 18 10.546 1.707 7.922
134 HH11 ARG 18 HH11 ARG 18 11.136 -1.731 7.829
135 HH12 ARG 18 HH12 ARG 18 11.395 -1.859 9.537
136 HH21 ARG 18 HH21 ARG 18 10.886 1.541 10.168
137 HH22 ARG 18 HH22 ARG 18 11.253 -0.002 10.864
138 H THR 19 HN THR 19 8.925 -0.304 2.032
139 HA THR 19 HA THR 19 11.275 1.360 1.507
140 HB THR 19 HB THR 19 11.852 -0.864 1.946
141 HG1 THR 19 HG1 THR 19 13.100 -0.521 0.253
142 HG21 THR 19 HG21 THR 19 9.716 -1.708 0.019
143 HG22 THR 19 HG22 THR 19 9.757 -1.949 1.770
144 HG23 THR 19 HG23 THR 19 10.922 -2.782 0.733
145 H SER 20 HN SER 20 8.303 0.125 0.074
146 HA SER 20 HA SER 20 8.974 1.427 -2.470
147 HB2 SER 20 HB2 SER 20 7.990 -1.012 -2.150
148 HB3 SER 20 HB1 SER 20 6.458 -0.140 -2.120
149 HG SER 20 HG SER 20 7.194 -0.843 -4.241
150 H MET 21 HN MET 21 8.249 3.398 -2.877
151 HA MET 21 HA MET 21 6.253 4.637 -1.215
152 HB2 MET 21 HB2 MET 21 8.205 5.496 -3.229
153 HB3 MET 21 HB1 MET 21 6.702 6.406 -3.262
154 HG2 MET 21 HG2 MET 21 8.248 5.964 -0.732
155 HG3 MET 21 HG1 MET 21 8.578 7.310 -1.821
156 HE1 MET 21 HE1 MET 21 7.519 9.101 -2.211
157 HE2 MET 21 HE2 MET 21 6.910 9.911 -0.768
158 HE3 MET 21 HE3 MET 21 5.792 9.415 -2.038
159 H LYS 22 HN LYS 22 6.422 3.473 -4.542
160 HA LYS 22 HA LYS 22 4.099 4.556 -5.573
161 HB2 LYS 22 HB2 LYS 22 5.978 2.950 -6.572
162 HB3 LYS 22 HB1 LYS 22 4.734 1.741 -6.288
163 HG2 LYS 22 HG2 LYS 22 3.687 4.107 -7.600
164 HG3 LYS 22 HG1 LYS 22 4.989 3.345 -8.516
165 HD2 LYS 22 HD2 LYS 22 2.881 1.588 -7.378
166 HD3 LYS 22 HD1 LYS 22 2.455 2.589 -8.767
167 HE2 LYS 22 HE2 LYS 22 5.021 1.234 -9.064
168 HE3 LYS 22 HE1 LYS 22 3.668 0.121 -8.864
169 HZ1 LYS 22 HZ1 LYS 22 3.994 0.594 -11.181
170 HZ2 LYS 22 HZ2 LYS 22 3.902 2.261 -10.910
171 HZ3 LYS 22 HZ3 LYS 22 2.534 1.291 -10.685
172 H TYR 23 HN TYR 23 4.429 1.378 -3.997
173 HA TYR 23 HA TYR 23 1.782 0.577 -4.137
174 HB2 TYR 23 HB2 TYR 23 3.995 -0.028 -2.211
175 HB3 TYR 23 HB1 TYR 23 2.388 -0.698 -1.959
176 HD1 TYR 23 HD1 TYR 23 4.408 -0.186 -5.049
177 HD2 TYR 23 HD2 TYR 23 2.455 -2.935 -2.469
178 HE1 TYR 23 HE1 TYR 23 4.940 -2.018 -6.609
179 HE2 TYR 23 HE2 TYR 23 2.978 -4.773 -4.005
180 HH TYR 23 HH TYR 23 5.235 -4.673 -6.297
181 H ARG 24 HN ARG 24 3.252 2.890 -2.037
182 HA ARG 24 HA ARG 24 1.206 2.850 -0.034
183 HB2 ARG 24 HB2 ARG 24 2.895 5.265 -0.378
184 HB3 ARG 24 HB1 ARG 24 2.446 4.412 1.088
185 HG2 ARG 24 HG2 ARG 24 4.026 2.602 0.410
186 HG3 ARG 24 HG1 ARG 24 4.561 3.646 -0.903
187 HD2 ARG 24 HD2 ARG 24 5.099 5.388 0.799
188 HD3 ARG 24 HD1 ARG 24 4.745 4.199 2.051
189 HE ARG 24 HE ARG 24 6.569 2.879 0.663
190 HH11 ARG 24 HH11 ARG 24 6.546 6.232 1.667
191 HH12 ARG 24 HH12 ARG 24 8.271 6.349 1.739
192 HH21 ARG 24 HH21 ARG 24 8.837 3.043 0.767
193 HH22 ARG 24 HH22 ARG 24 9.570 4.542 1.230
194 H LEU 25 HN LEU 25 2.104 5.388 -2.360
195 HA LEU 25 HA LEU 25 -0.514 6.610 -2.002
196 HB2 LEU 25 HB2 LEU 25 1.715 7.605 -3.750
197 HB3 LEU 25 HB1 LEU 25 0.404 8.527 -3.031
198 HG LEU 25 HG LEU 25 2.130 9.163 -1.667
199 HD11 LEU 25 HD11 LEU 25 1.552 8.457 0.382
200 HD12 LEU 25 HD12 LEU 25 1.843 6.761 -0.002
201 HD13 LEU 25 HD13 LEU 25 0.325 7.525 -0.474
202 HD21 LEU 25 HD21 LEU 25 3.630 6.892 -0.961
203 HD22 LEU 25 HD22 LEU 25 4.120 8.245 -1.979
204 HD23 LEU 25 HD23 LEU 25 3.389 6.817 -2.707
205 H ASN 26 HN ASN 26 1.421 5.144 -4.549
206 HA ASN 26 HA ASN 26 -0.373 5.773 -6.652
207 HB2 ASN 26 HB2 ASN 26 2.155 5.090 -6.643
208 HB3 ASN 26 HB1 ASN 26 1.504 3.460 -6.817
209 HD21 ASN 26 HD21 ASN 26 2.869 5.692 -8.559
210 HD22 ASN 26 HD22 ASN 26 2.007 5.563 -10.050
211 H LEU 27 HN LEU 27 -0.008 2.894 -4.599
212 HA LEU 27 HA LEU 27 -2.249 1.667 -6.041
213 HB2 LEU 27 HB2 LEU 27 -0.067 0.592 -4.326
214 HB3 LEU 27 HB1 LEU 27 -1.586 -0.280 -4.366
215 HG LEU 27 HG LEU 27 -1.388 -0.417 -6.846
216 HD11 LEU 27 HD11 LEU 27 1.359 0.702 -6.319
217 HD12 LEU 27 HD12 LEU 27 0.064 1.479 -7.231
218 HD13 LEU 27 HD13 LEU 27 0.813 0.005 -7.844
219 HD21 LEU 27 HD21 LEU 27 1.029 -1.599 -5.518
220 HD22 LEU 27 HD22 LEU 27 0.036 -2.275 -6.809
221 HD23 LEU 27 HD23 LEU 27 -0.603 -2.168 -5.168
222 H CYS 28 HN CYS 28 -1.905 0.506 -2.827
223 HA CYS 28 HA CYS 28 -4.485 1.661 -2.139
224 HB2 CYS 28 HB2 CYS 28 -4.403 0.116 -0.268
225 HB3 CYS 28 HB1 CYS 28 -3.968 -0.736 -1.753
226 H LYS 29 HN LYS 29 -4.852 2.912 -0.335
227 HA LYS 29 HA LYS 29 -2.649 4.576 0.488
228 HB2 LYS 29 HB2 LYS 29 -5.604 4.644 1.058
229 HB3 LYS 29 HB1 LYS 29 -4.467 5.786 1.764
230 HG2 LYS 29 HG2 LYS 29 -4.185 5.564 -1.122
231 HG3 LYS 29 HG1 LYS 29 -5.802 6.073 -0.628
232 HD2 LYS 29 HD2 LYS 29 -4.953 8.135 -0.478
233 HD3 LYS 29 HD1 LYS 29 -4.144 7.576 0.987
234 HE2 LYS 29 HE2 LYS 29 -2.235 8.124 -0.030
235 HE3 LYS 29 HE1 LYS 29 -2.485 6.691 -1.027
236 HZ1 LYS 29 HZ1 LYS 29 -2.092 8.552 -2.444
237 HZ2 LYS 29 HZ2 LYS 29 -3.283 9.475 -1.676
238 HZ3 LYS 29 HZ3 LYS 29 -3.723 8.127 -2.598
239 H LYS 30 HN LYS 30 -5.146 2.729 2.207
240 HA LYS 30 HA LYS 30 -3.663 2.846 4.663
241 HB2 LYS 30 HB2 LYS 30 -6.012 3.048 4.843
242 HB3 LYS 30 HB1 LYS 30 -6.280 1.598 3.886
243 HG2 LYS 30 HG2 LYS 30 -6.716 0.928 6.069
244 HG3 LYS 30 HG1 LYS 30 -5.075 0.355 5.762
245 HD2 LYS 30 HD2 LYS 30 -4.999 1.323 7.899
246 HD3 LYS 30 HD1 LYS 30 -4.283 2.521 6.820
247 HE2 LYS 30 HE2 LYS 30 -5.725 3.754 8.194
248 HE3 LYS 30 HE1 LYS 30 -6.619 3.543 6.689
249 HZ1 LYS 30 HZ1 LYS 30 -8.140 2.227 7.673
250 HZ2 LYS 30 HZ2 LYS 30 -7.649 3.032 9.077
251 HZ3 LYS 30 HZ3 LYS 30 -7.025 1.501 8.718
252 H THR 31 HN THR 31 -4.820 0.104 2.661
253 HA THR 31 HA THR 31 -3.826 -1.936 4.165
254 HB THR 31 HB THR 31 -3.834 -1.855 1.152
255 HG1 THR 31 HG1 THR 31 -5.904 -2.814 1.448
256 HG21 THR 31 HG21 THR 31 -4.169 -4.252 2.908
257 HG22 THR 31 HG22 THR 31 -2.602 -3.760 2.269
258 HG23 THR 31 HG23 THR 31 -3.913 -4.191 1.166
259 H CYS 32 HN CYS 32 -1.977 0.179 2.112
260 HA CYS 32 HA CYS 32 0.375 -1.483 2.131
261 HB2 CYS 32 HB2 CYS 32 0.206 0.052 0.314
262 HB3 CYS 32 HB1 CYS 32 -0.024 1.420 1.396
263 H GLY 33 HN GLY 33 -1.096 0.536 4.374
264 HA2 GLY 33 HA2 GLY 33 -0.479 0.764 6.617
265 HA3 GLY 33 HA1 GLY 33 1.128 0.190 6.210
266 H THR 34 HN THR 34 -0.740 2.946 4.916
267 HA THR 34 HA THR 34 1.282 4.734 6.073
268 HB THR 34 HB THR 34 1.997 4.507 3.816
269 HG1 THR 34 HG1 THR 34 0.473 6.883 3.931
270 HG21 THR 34 HG21 THR 34 -0.762 5.229 2.893
271 HG22 THR 34 HG22 THR 34 -0.056 3.613 2.823
272 HG23 THR 34 HG23 THR 34 0.650 4.926 1.881
273 H CYS 35 HN CYS 35 -1.989 4.283 4.899
274 HA CYS 35 HA CYS 35 -3.020 6.835 5.076
275 HB2 CYS 35 HB2 CYS 35 -4.411 5.043 4.287
276 HB3 CYS 35 HB1 CYS 35 -4.299 4.203 5.828
Start of MODEL 13
1 H1 ALA 2 HT1 ALA 2 -11.398 9.580 4.460
2 H2 ALA 2 HT2 ALA 2 -10.215 8.478 5.036
3 H3 ALA 2 HT3 ALA 2 -11.662 8.729 5.924
4 HA ALA 2 HA ALA 2 -12.041 6.766 4.895
5 HB1 ALA 2 HB1 ALA 2 -13.488 7.501 2.807
6 HB2 ALA 2 HB2 ALA 2 -13.212 9.105 3.488
7 HB3 ALA 2 HB3 ALA 2 -13.995 7.858 4.458
8 H CYS 3 HN CYS 3 -9.803 6.157 4.328
9 HA CYS 3 HA CYS 3 -9.227 6.412 1.459
10 HB2 CYS 3 HB2 CYS 3 -6.936 5.812 2.005
11 HB3 CYS 3 HB1 CYS 3 -7.456 7.151 3.022
12 H LYS 4 HN LYS 4 -8.596 4.560 0.249
13 HA LYS 4 HA LYS 4 -9.403 1.985 1.430
14 HB2 LYS 4 HB2 LYS 4 -10.376 3.328 -1.022
15 HB3 LYS 4 HB1 LYS 4 -10.043 1.609 -1.171
16 HG2 LYS 4 HG2 LYS 4 -11.603 2.374 1.197
17 HG3 LYS 4 HG1 LYS 4 -12.397 2.649 -0.355
18 HD2 LYS 4 HD2 LYS 4 -11.788 0.271 -0.949
19 HD3 LYS 4 HD1 LYS 4 -11.312 0.060 0.737
20 HE2 LYS 4 HE2 LYS 4 -13.443 -0.004 1.462
21 HE3 LYS 4 HE1 LYS 4 -13.970 1.246 0.336
22 HZ1 LYS 4 HZ1 LYS 4 -14.684 -1.290 0.114
23 HZ2 LYS 4 HZ2 LYS 4 -13.275 -1.333 -0.821
24 HZ3 LYS 4 HZ3 LYS 4 -14.524 -0.267 -1.224
25 H ASP 5 HN ASP 5 -8.808 0.260 -0.526
26 HA ASP 5 HA ASP 5 -5.967 0.729 -1.052
27 HB2 ASP 5 HB2 ASP 5 -5.607 -1.687 -0.685
28 HB3 ASP 5 HB1 ASP 5 -6.232 -0.874 0.747
29 H TYR 6 HN TYR 6 -5.236 0.381 -3.008
30 HA TYR 6 HA TYR 6 -7.013 -0.050 -5.184
31 HB2 TYR 6 HB2 TYR 6 -4.302 0.847 -4.800
32 HB3 TYR 6 HB1 TYR 6 -4.344 -0.359 -6.080
33 HD1 TYR 6 HD1 TYR 6 -6.852 2.242 -5.147
34 HD2 TYR 6 HD2 TYR 6 -4.116 0.808 -8.073
35 HE1 TYR 6 HE1 TYR 6 -7.655 3.948 -6.726
36 HE2 TYR 6 HE2 TYR 6 -4.910 2.510 -9.659
37 HH TYR 6 HH TYR 6 -6.652 5.159 -8.796
38 H LEU 7 HN LEU 7 -5.292 -2.165 -3.143
39 HA LEU 7 HA LEU 7 -5.991 -4.417 -4.860
40 HB2 LEU 7 HB2 LEU 7 -3.231 -3.651 -4.034
41 HB3 LEU 7 HB1 LEU 7 -3.620 -5.334 -4.178
42 HG LEU 7 HG LEU 7 -4.404 -3.679 -6.479
43 HD11 LEU 7 HD11 LEU 7 -2.405 -2.579 -6.317
44 HD12 LEU 7 HD12 LEU 7 -1.940 -3.985 -7.275
45 HD13 LEU 7 HD13 LEU 7 -1.595 -3.942 -5.547
46 HD21 LEU 7 HD21 LEU 7 -4.492 -5.692 -7.402
47 HD22 LEU 7 HD22 LEU 7 -3.948 -6.406 -5.886
48 HD23 LEU 7 HD23 LEU 7 -2.771 -5.925 -7.106
49 HA PRO 8 HA PRO 8 -6.704 -6.407 -0.984
50 HB2 PRO 8 HB2 PRO 8 -6.115 -8.967 -1.337
51 HB3 PRO 8 HB1 PRO 8 -7.372 -8.184 -2.305
52 HG2 PRO 8 HG2 PRO 8 -4.569 -8.862 -3.017
53 HG3 PRO 8 HG1 PRO 8 -6.038 -8.976 -4.000
54 HD2 PRO 8 HD2 PRO 8 -4.182 -6.908 -4.079
55 HD3 PRO 8 HD1 PRO 8 -5.813 -6.802 -4.730
56 H LYS 9 HN LYS 9 -5.859 -7.661 0.795
57 HA LYS 9 HA LYS 9 -3.562 -6.603 1.883
58 HB2 LYS 9 HB2 LYS 9 -4.605 -9.337 2.602
59 HB3 LYS 9 HB1 LYS 9 -3.768 -8.193 3.643
60 HG2 LYS 9 HG2 LYS 9 -6.089 -6.916 2.624
61 HG3 LYS 9 HG1 LYS 9 -6.554 -8.506 3.231
62 HD2 LYS 9 HD2 LYS 9 -5.191 -7.900 5.314
63 HD3 LYS 9 HD1 LYS 9 -5.234 -6.245 4.704
64 HE2 LYS 9 HE2 LYS 9 -7.080 -6.276 6.083
65 HE3 LYS 9 HE1 LYS 9 -7.798 -6.676 4.523
66 HZ1 LYS 9 HZ1 LYS 9 -8.581 -8.119 6.322
67 HZ2 LYS 9 HZ2 LYS 9 -7.001 -8.662 6.583
68 HZ3 LYS 9 HZ3 LYS 9 -7.777 -8.995 5.118
69 H SER 10 HN SER 10 -3.845 -9.267 -0.314
70 HA SER 10 HA SER 10 -1.306 -10.438 0.271
71 HB2 SER 10 HB2 SER 10 -2.689 -10.781 -2.367
72 HB3 SER 10 HB1 SER 10 -1.772 -11.959 -1.427
73 HG SER 10 HG SER 10 -4.390 -11.562 -1.438
74 H GLU 11 HN GLU 11 -2.350 -7.780 -1.698
75 HA GLU 11 HA GLU 11 0.177 -7.752 -3.181
76 HB2 GLU 11 HB2 GLU 11 -2.528 -6.732 -3.561
77 HB3 GLU 11 HB1 GLU 11 -1.300 -5.549 -3.963
78 HG2 GLU 11 HG2 GLU 11 -0.806 -8.213 -5.066
79 HG3 GLU 11 HG1 GLU 11 -2.299 -7.460 -5.635
80 H CYS 12 HN CYS 12 -1.716 -5.869 -0.917
81 HA CYS 12 HA CYS 12 0.409 -3.874 -0.743
82 HB2 CYS 12 HB2 CYS 12 -2.486 -3.951 -0.155
83 HB3 CYS 12 HB1 CYS 12 -1.507 -2.906 0.883
84 H THR 13 HN THR 13 1.963 -4.398 0.613
85 HA THR 13 HA THR 13 1.219 -5.570 3.214
86 HB THR 13 HB THR 13 3.613 -6.496 3.159
87 HG1 THR 13 HG1 THR 13 4.699 -5.713 1.549
88 HG21 THR 13 HG21 THR 13 1.514 -7.831 2.622
89 HG22 THR 13 HG22 THR 13 3.041 -8.447 1.992
90 HG23 THR 13 HG23 THR 13 1.928 -7.588 0.923
91 H GLN 14 HN GLN 14 2.193 -4.729 5.064
92 HA GLN 14 HA GLN 14 2.771 -2.041 5.190
93 HB2 GLN 14 HB2 GLN 14 4.034 -4.107 6.999
94 HB3 GLN 14 HB1 GLN 14 3.670 -2.430 7.385
95 HG2 GLN 14 HG2 GLN 14 1.733 -4.691 6.977
96 HG3 GLN 14 HG1 GLN 14 2.036 -3.771 8.450
97 HE21 GLN 14 HE21 GLN 14 0.276 -3.948 5.521
98 HE22 GLN 14 HE22 GLN 14 -0.624 -2.486 5.710
99 H PHE 15 HN PHE 15 4.799 -4.697 4.315
100 HA PHE 15 HA PHE 15 7.334 -3.533 4.492
101 HB2 PHE 15 HB2 PHE 15 6.092 -5.852 3.218
102 HB3 PHE 15 HB1 PHE 15 7.456 -5.227 2.309
103 HD1 PHE 15 HD2 PHE 15 9.664 -4.961 3.505
104 HD2 PHE 15 HD1 PHE 15 6.401 -7.148 5.139
105 HE1 PHE 15 HE2 PHE 15 11.209 -6.110 5.030
106 HE2 PHE 15 HE1 PHE 15 7.941 -8.305 6.673
107 HZ PHE 15 HZ PHE 15 10.349 -7.787 6.619
108 H ARG 16 HN ARG 16 4.901 -3.482 1.942
109 HA ARG 16 HA ARG 16 6.379 -2.305 -0.092
110 HB2 ARG 16 HB2 ARG 16 3.450 -1.853 0.497
111 HB3 ARG 16 HB1 ARG 16 4.247 -1.629 -1.046
112 HG2 ARG 16 HG2 ARG 16 4.004 -4.242 0.395
113 HG3 ARG 16 HG1 ARG 16 2.962 -3.707 -0.922
114 HD2 ARG 16 HD2 ARG 16 4.491 -4.226 -2.478
115 HD3 ARG 16 HD1 ARG 16 5.809 -3.524 -1.543
116 HE ARG 16 HE ARG 16 4.975 -5.978 -0.404
117 HH11 ARG 16 HH11 ARG 16 6.766 -4.672 -3.100
118 HH12 ARG 16 HH12 ARG 16 7.766 -6.075 -3.276
119 HH21 ARG 16 HH21 ARG 16 6.289 -7.824 -0.635
120 HH22 ARG 16 HH22 ARG 16 7.495 -7.864 -1.878
121 H CYS 17 HN CYS 17 4.471 -0.705 2.460
122 HA CYS 17 HA CYS 17 5.100 1.903 1.554
123 HB2 CYS 17 HB2 CYS 17 3.952 0.791 4.074
124 HB3 CYS 17 HB1 CYS 17 4.483 2.467 4.031
125 H ARG 18 HN ARG 18 6.797 -0.390 3.454
126 HA ARG 18 HA ARG 18 8.519 1.316 4.881
127 HB2 ARG 18 HB2 ARG 18 8.201 -1.451 4.559
128 HB3 ARG 18 HB1 ARG 18 9.856 -1.099 4.030
129 HG2 ARG 18 HG2 ARG 18 9.270 0.293 6.483
130 HG3 ARG 18 HG1 ARG 18 8.903 -1.424 6.657
131 HD2 ARG 18 HD2 ARG 18 11.069 -2.041 6.472
132 HD3 ARG 18 HD1 ARG 18 11.434 -0.786 5.289
133 HE ARG 18 HE ARG 18 12.234 0.478 7.001
134 HH11 ARG 18 HH11 ARG 18 9.943 -1.799 8.324
135 HH12 ARG 18 HH12 ARG 18 10.209 -1.305 9.962
136 HH21 ARG 18 HH21 ARG 18 12.584 1.129 9.154
137 HH22 ARG 18 HH22 ARG 18 11.708 0.358 10.434
138 H THR 19 HN THR 19 8.924 -0.405 1.888
139 HA THR 19 HA THR 19 11.263 1.243 1.273
140 HB THR 19 HB THR 19 11.847 -0.977 1.714
141 HG1 THR 19 HG1 THR 19 11.633 -0.774 -1.120
142 HG21 THR 19 HG21 THR 19 9.738 -2.050 1.618
143 HG22 THR 19 HG22 THR 19 10.871 -2.906 0.564
144 HG23 THR 19 HG23 THR 19 9.649 -1.839 -0.133
145 H SER 20 HN SER 20 8.234 0.029 -0.037
146 HA SER 20 HA SER 20 8.820 1.286 -2.623
147 HB2 SER 20 HB2 SER 20 7.801 -1.133 -2.216
148 HB3 SER 20 HB1 SER 20 6.291 -0.224 -2.161
149 HG SER 20 HG SER 20 8.160 -0.397 -4.276
150 H MET 21 HN MET 21 8.132 3.276 -2.995
151 HA MET 21 HA MET 21 6.207 4.554 -1.280
152 HB2 MET 21 HB2 MET 21 8.123 5.370 -3.346
153 HB3 MET 21 HB1 MET 21 6.641 6.314 -3.337
154 HG2 MET 21 HG2 MET 21 6.984 7.000 -1.099
155 HG3 MET 21 HG1 MET 21 8.289 5.837 -0.873
156 HE1 MET 21 HE1 MET 21 8.454 9.263 -0.348
157 HE2 MET 21 HE2 MET 21 10.194 9.199 -0.627
158 HE3 MET 21 HE3 MET 21 9.393 7.895 0.249
159 H LYS 22 HN LYS 22 6.265 3.361 -4.592
160 HA LYS 22 HA LYS 22 3.948 4.496 -5.589
161 HB2 LYS 22 HB2 LYS 22 5.537 3.248 -6.959
162 HB3 LYS 22 HB1 LYS 22 5.078 1.753 -6.157
163 HG2 LYS 22 HG2 LYS 22 2.672 2.530 -7.034
164 HG3 LYS 22 HG1 LYS 22 3.691 3.281 -8.264
165 HD2 LYS 22 HD2 LYS 22 4.744 1.123 -8.715
166 HD3 LYS 22 HD1 LYS 22 3.745 0.370 -7.470
167 HE2 LYS 22 HE2 LYS 22 2.510 1.845 -9.769
168 HE3 LYS 22 HE1 LYS 22 3.015 0.164 -9.934
169 HZ1 LYS 22 HZ1 LYS 22 0.606 0.931 -9.069
170 HZ2 LYS 22 HZ2 LYS 22 1.411 0.741 -7.594
171 HZ3 LYS 22 HZ3 LYS 22 1.319 -0.553 -8.679
172 H TYR 23 HN TYR 23 4.272 1.430 -3.824
173 HA TYR 23 HA TYR 23 1.578 0.657 -3.989
174 HB2 TYR 23 HB2 TYR 23 3.822 -0.049 -2.132
175 HB3 TYR 23 HB1 TYR 23 2.203 -0.694 -1.877
176 HD1 TYR 23 HD2 TYR 23 4.268 -0.142 -4.934
177 HD2 TYR 23 HD1 TYR 23 2.139 -2.900 -2.504
178 HE1 TYR 23 HE2 TYR 23 4.735 -1.928 -6.564
179 HE2 TYR 23 HE1 TYR 23 2.598 -4.694 -4.114
180 HH TYR 23 HH TYR 23 4.196 -5.225 -5.879
181 H ARG 24 HN ARG 24 3.154 2.939 -1.952
182 HA ARG 24 HA ARG 24 1.175 2.900 0.129
183 HB2 ARG 24 HB2 ARG 24 2.894 5.286 -0.187
184 HB3 ARG 24 HB1 ARG 24 2.515 4.358 1.252
185 HG2 ARG 24 HG2 ARG 24 4.045 2.582 0.409
186 HG3 ARG 24 HG1 ARG 24 4.514 3.682 -0.884
187 HD2 ARG 24 HD2 ARG 24 5.169 5.341 0.844
188 HD3 ARG 24 HD1 ARG 24 4.846 4.124 2.077
189 HE ARG 24 HE ARG 24 6.585 2.807 0.599
190 HH11 ARG 24 HH11 ARG 24 6.664 6.156 1.610
191 HH12 ARG 24 HH12 ARG 24 8.393 6.243 1.602
192 HH21 ARG 24 HH21 ARG 24 8.856 2.931 0.600
193 HH22 ARG 24 HH22 ARG 24 9.636 4.416 1.031
194 H LEU 25 HN LEU 25 2.093 5.457 -2.171
195 HA LEU 25 HA LEU 25 -0.467 6.757 -1.708
196 HB2 LEU 25 HB2 LEU 25 1.763 7.722 -3.475
197 HB3 LEU 25 HB1 LEU 25 0.484 8.668 -2.734
198 HG LEU 25 HG LEU 25 2.235 9.232 -1.367
199 HD11 LEU 25 HD11 LEU 25 1.874 6.799 0.247
200 HD12 LEU 25 HD12 LEU 25 0.387 7.641 -0.190
201 HD13 LEU 25 HD13 LEU 25 1.661 8.496 0.676
202 HD21 LEU 25 HD21 LEU 25 3.411 6.840 -2.434
203 HD22 LEU 25 HD22 LEU 25 3.688 6.934 -0.694
204 HD23 LEU 25 HD23 LEU 25 4.191 8.261 -1.740
205 H ASN 26 HN ASN 26 1.364 5.429 -4.445
206 HA ASN 26 HA ASN 26 -0.600 6.130 -6.373
207 HB2 ASN 26 HB2 ASN 26 1.956 5.479 -6.576
208 HB3 ASN 26 HB1 ASN 26 1.282 3.875 -6.861
209 HD21 ASN 26 HD21 ASN 26 2.671 4.868 -8.859
210 HD22 ASN 26 HD22 ASN 26 1.656 5.425 -10.141
211 H LEU 27 HN LEU 27 0.032 3.185 -4.519
212 HA LEU 27 HA LEU 27 -2.241 1.875 -5.799
213 HB2 LEU 27 HB2 LEU 27 0.170 0.906 -5.145
214 HB3 LEU 27 HB1 LEU 27 -0.683 0.530 -3.665
215 HG LEU 27 HG LEU 27 -2.310 -0.791 -4.914
216 HD11 LEU 27 HD11 LEU 27 -0.935 0.458 -7.205
217 HD12 LEU 27 HD12 LEU 27 -2.615 -0.047 -7.023
218 HD13 LEU 27 HD13 LEU 27 -1.370 -1.241 -7.391
219 HD21 LEU 27 HD21 LEU 27 -0.258 -2.251 -6.060
220 HD22 LEU 27 HD22 LEU 27 -0.844 -2.392 -4.403
221 HD23 LEU 27 HD23 LEU 27 0.534 -1.353 -4.766
222 H CYS 28 HN CYS 28 -2.151 0.424 -2.872
223 HA CYS 28 HA CYS 28 -4.519 1.739 -1.962
224 HB2 CYS 28 HB2 CYS 28 -4.415 0.140 -0.142
225 HB3 CYS 28 HB1 CYS 28 -4.029 -0.682 -1.657
226 H LYS 29 HN LYS 29 -4.803 2.950 -0.113
227 HA LYS 29 HA LYS 29 -2.531 4.532 0.697
228 HB2 LYS 29 HB2 LYS 29 -5.459 4.670 1.408
229 HB3 LYS 29 HB1 LYS 29 -4.248 5.780 2.038
230 HG2 LYS 29 HG2 LYS 29 -4.111 5.584 -0.845
231 HG3 LYS 29 HG1 LYS 29 -5.719 6.063 -0.296
232 HD2 LYS 29 HD2 LYS 29 -4.348 8.029 -0.667
233 HD3 LYS 29 HD1 LYS 29 -4.701 7.856 1.053
234 HE2 LYS 29 HE2 LYS 29 -2.218 6.595 0.039
235 HE3 LYS 29 HE1 LYS 29 -2.250 8.356 0.124
236 HZ1 LYS 29 HZ1 LYS 29 -2.249 6.393 2.272
237 HZ2 LYS 29 HZ2 LYS 29 -3.221 7.756 2.512
238 HZ3 LYS 29 HZ3 LYS 29 -1.566 7.940 2.217
239 H LYS 30 HN LYS 30 -5.040 2.710 2.425
240 HA LYS 30 HA LYS 30 -3.487 2.702 4.840
241 HB2 LYS 30 HB2 LYS 30 -5.847 2.967 5.045
242 HB3 LYS 30 HB1 LYS 30 -6.151 1.496 4.132
243 HG2 LYS 30 HG2 LYS 30 -6.517 0.891 6.351
244 HG3 LYS 30 HG1 LYS 30 -4.894 0.292 5.995
245 HD2 LYS 30 HD2 LYS 30 -3.875 1.856 7.316
246 HD3 LYS 30 HD1 LYS 30 -5.179 3.029 7.121
247 HE2 LYS 30 HE2 LYS 30 -6.338 0.846 8.423
248 HE3 LYS 30 HE1 LYS 30 -4.767 1.062 9.192
249 HZ1 LYS 30 HZ1 LYS 30 -5.388 3.476 9.398
250 HZ2 LYS 30 HZ2 LYS 30 -6.270 2.408 10.369
251 HZ3 LYS 30 HZ3 LYS 30 -6.962 3.035 8.959
252 H THR 31 HN THR 31 -4.774 0.066 2.773
253 HA THR 31 HA THR 31 -3.794 -2.049 4.192
254 HB THR 31 HB THR 31 -3.904 -1.861 1.184
255 HG1 THR 31 HG1 THR 31 -5.870 -1.493 2.601
256 HG21 THR 31 HG21 THR 31 -3.966 -4.185 1.092
257 HG22 THR 31 HG22 THR 31 -4.207 -4.334 2.831
258 HG23 THR 31 HG23 THR 31 -2.644 -3.820 2.202
259 H CYS 32 HN CYS 32 -1.943 0.114 2.203
260 HA CYS 32 HA CYS 32 0.378 -1.597 2.094
261 HB2 CYS 32 HB2 CYS 32 0.218 -0.025 0.324
262 HB3 CYS 32 HB1 CYS 32 -0.030 1.320 1.430
263 H GLY 33 HN GLY 33 -0.996 0.393 4.434
264 HA2 GLY 33 HA2 GLY 33 -0.301 0.524 6.667
265 HA3 GLY 33 HA1 GLY 33 1.291 -0.031 6.181
266 H THR 34 HN THR 34 -0.624 2.764 5.050
267 HA THR 34 HA THR 34 1.402 4.525 6.231
268 HB THR 34 HB THR 34 2.145 4.373 3.975
269 HG1 THR 34 HG1 THR 34 2.073 6.475 3.445
270 HG21 THR 34 HG21 THR 34 0.796 4.830 2.040
271 HG22 THR 34 HG22 THR 34 -0.626 5.061 3.055
272 HG23 THR 34 HG23 THR 34 0.123 3.467 2.934
273 H CYS 35 HN CYS 35 -1.839 4.164 4.890
274 HA CYS 35 HA CYS 35 -2.763 6.768 5.364
275 HB2 CYS 35 HB2 CYS 35 -3.945 4.967 4.046
276 HB3 CYS 35 HB1 CYS 35 -4.440 4.266 5.583
Start of MODEL 14
1 H1 ALA 2 HT1 ALA 2 -10.166 9.843 3.481
2 H2 ALA 2 HT2 ALA 2 -11.373 8.876 4.224
3 H3 ALA 2 HT3 ALA 2 -11.818 10.273 3.333
4 HA ALA 2 HA ALA 2 -12.117 8.039 2.264
5 HB1 ALA 2 HB1 ALA 2 -12.302 10.179 1.097
6 HB2 ALA 2 HB2 ALA 2 -11.537 8.956 0.082
7 HB3 ALA 2 HB3 ALA 2 -10.556 10.201 0.856
8 H CYS 3 HN CYS 3 -10.755 6.450 3.300
9 HA CYS 3 HA CYS 3 -8.217 6.064 1.857
10 HB2 CYS 3 HB2 CYS 3 -8.589 6.388 4.656
11 HB3 CYS 3 HB1 CYS 3 -8.139 4.709 4.378
12 H LYS 4 HN LYS 4 -8.024 4.179 0.822
13 HA LYS 4 HA LYS 4 -9.476 1.833 1.735
14 HB2 LYS 4 HB2 LYS 4 -10.144 3.346 -0.735
15 HB3 LYS 4 HB1 LYS 4 -10.129 1.592 -0.852
16 HG2 LYS 4 HG2 LYS 4 -11.636 2.929 1.352
17 HG3 LYS 4 HG1 LYS 4 -12.329 2.825 -0.268
18 HD2 LYS 4 HD2 LYS 4 -11.353 0.267 0.264
19 HD3 LYS 4 HD1 LYS 4 -12.097 0.791 1.775
20 HE2 LYS 4 HE2 LYS 4 -13.598 1.288 -0.734
21 HE3 LYS 4 HE1 LYS 4 -13.481 -0.381 -0.177
22 HZ1 LYS 4 HZ1 LYS 4 -14.151 0.846 2.083
23 HZ2 LYS 4 HZ2 LYS 4 -15.285 0.206 1.004
24 HZ3 LYS 4 HZ3 LYS 4 -14.927 1.859 0.971
25 H ASP 5 HN ASP 5 -9.065 0.042 -0.113
26 HA ASP 5 HA ASP 5 -6.168 0.079 -0.531
27 HB2 ASP 5 HB2 ASP 5 -6.232 -2.353 -0.360
28 HB3 ASP 5 HB1 ASP 5 -6.938 -1.602 1.063
29 H TYR 6 HN TYR 6 -5.525 0.261 -2.516
30 HA TYR 6 HA TYR 6 -7.210 0.015 -4.783
31 HB2 TYR 6 HB2 TYR 6 -4.333 0.582 -4.285
32 HB3 TYR 6 HB1 TYR 6 -4.750 -0.026 -5.883
33 HD1 TYR 6 HD1 TYR 6 -6.286 2.426 -3.504
34 HD2 TYR 6 HD2 TYR 6 -4.906 1.642 -7.452
35 HE1 TYR 6 HE1 TYR 6 -6.968 4.688 -4.185
36 HE2 TYR 6 HE2 TYR 6 -5.583 3.903 -8.144
37 HH TYR 6 HH TYR 6 -7.367 5.638 -7.275
38 H LEU 7 HN LEU 7 -5.549 -2.273 -2.904
39 HA LEU 7 HA LEU 7 -6.170 -4.372 -4.818
40 HB2 LEU 7 HB2 LEU 7 -3.418 -3.578 -4.002
41 HB3 LEU 7 HB1 LEU 7 -3.747 -5.266 -4.210
42 HG LEU 7 HG LEU 7 -4.603 -3.499 -6.414
43 HD11 LEU 7 HD11 LEU 7 -2.158 -3.828 -7.281
44 HD12 LEU 7 HD12 LEU 7 -1.780 -3.857 -5.560
45 HD13 LEU 7 HD13 LEU 7 -2.577 -2.451 -6.263
46 HD21 LEU 7 HD21 LEU 7 -3.978 -6.285 -5.967
47 HD22 LEU 7 HD22 LEU 7 -3.131 -5.644 -7.371
48 HD23 LEU 7 HD23 LEU 7 -4.887 -5.528 -7.271
49 HA PRO 8 HA PRO 8 -6.754 -6.678 -1.090
50 HB2 PRO 8 HB2 PRO 8 -6.034 -9.178 -1.599
51 HB3 PRO 8 HB1 PRO 8 -7.334 -8.405 -2.518
52 HG2 PRO 8 HG2 PRO 8 -4.499 -8.883 -3.267
53 HG3 PRO 8 HG1 PRO 8 -5.962 -9.027 -4.255
54 HD2 PRO 8 HD2 PRO 8 -4.234 -6.857 -4.229
55 HD3 PRO 8 HD1 PRO 8 -5.879 -6.802 -4.850
56 H LYS 9 HN LYS 9 -5.842 -7.990 0.606
57 HA LYS 9 HA LYS 9 -3.598 -6.876 1.750
58 HB2 LYS 9 HB2 LYS 9 -4.658 -9.651 2.293
59 HB3 LYS 9 HB1 LYS 9 -3.671 -8.680 3.377
60 HG2 LYS 9 HG2 LYS 9 -5.407 -7.241 3.884
61 HG3 LYS 9 HG1 LYS 9 -6.304 -7.642 2.418
62 HD2 LYS 9 HD2 LYS 9 -6.111 -10.058 3.756
63 HD3 LYS 9 HD1 LYS 9 -6.374 -8.884 5.047
64 HE2 LYS 9 HE2 LYS 9 -8.068 -9.051 2.561
65 HE3 LYS 9 HE1 LYS 9 -8.459 -9.877 4.069
66 HZ1 LYS 9 HZ1 LYS 9 -8.673 -7.069 3.387
67 HZ2 LYS 9 HZ2 LYS 9 -8.062 -7.383 4.932
68 HZ3 LYS 9 HZ3 LYS 9 -9.575 -7.990 4.482
69 H SER 10 HN SER 10 -3.740 -9.400 -0.607
70 HA SER 10 HA SER 10 -1.140 -10.470 -0.051
71 HB2 SER 10 HB2 SER 10 -2.648 -11.978 -1.072
72 HB3 SER 10 HB1 SER 10 -3.087 -10.818 -2.325
73 HG SER 10 HG SER 10 -0.486 -11.908 -2.029
74 H GLU 11 HN GLU 11 -2.323 -7.773 -1.862
75 HA GLU 11 HA GLU 11 0.155 -7.585 -3.413
76 HB2 GLU 11 HB2 GLU 11 -2.589 -6.678 -3.683
77 HB3 GLU 11 HB1 GLU 11 -1.446 -5.387 -4.000
78 HG2 GLU 11 HG2 GLU 11 -0.753 -7.889 -5.323
79 HG3 GLU 11 HG1 GLU 11 -2.339 -7.270 -5.791
80 H CYS 12 HN CYS 12 -1.720 -5.875 -1.000
81 HA CYS 12 HA CYS 12 0.359 -3.834 -0.794
82 HB2 CYS 12 HB2 CYS 12 -2.511 -4.017 -0.058
83 HB3 CYS 12 HB1 CYS 12 -1.494 -2.934 0.903
84 H THR 13 HN THR 13 1.958 -4.326 0.508
85 HA THR 13 HA THR 13 1.324 -5.640 3.069
86 HB THR 13 HB THR 13 3.724 -6.542 2.886
87 HG1 THR 13 HG1 THR 13 3.332 -5.942 0.149
88 HG21 THR 13 HG21 THR 13 1.976 -7.577 0.674
89 HG22 THR 13 HG22 THR 13 1.595 -7.860 2.376
90 HG23 THR 13 HG23 THR 13 3.109 -8.461 1.702
91 H GLN 14 HN GLN 14 2.313 -4.838 4.912
92 HA GLN 14 HA GLN 14 2.891 -2.151 5.090
93 HB2 GLN 14 HB2 GLN 14 3.780 -4.467 6.804
94 HB3 GLN 14 HB1 GLN 14 4.166 -2.801 7.215
95 HG2 GLN 14 HG2 GLN 14 2.253 -3.256 8.449
96 HG3 GLN 14 HG1 GLN 14 1.653 -2.368 7.049
97 HE21 GLN 14 HE21 GLN 14 0.349 -3.394 5.568
98 HE22 GLN 14 HE22 GLN 14 -0.300 -4.975 5.821
99 H PHE 15 HN PHE 15 4.908 -4.783 4.131
100 HA PHE 15 HA PHE 15 7.445 -3.615 4.341
101 HB2 PHE 15 HB2 PHE 15 6.219 -5.925 3.040
102 HB3 PHE 15 HB1 PHE 15 7.576 -5.279 2.135
103 HD1 PHE 15 HD1 PHE 15 9.756 -4.905 3.428
104 HD2 PHE 15 HD2 PHE 15 6.569 -7.340 4.847
105 HE1 PHE 15 HE1 PHE 15 11.317 -6.052 4.935
106 HE2 PHE 15 HE2 PHE 15 8.126 -8.497 6.364
107 HZ PHE 15 HZ PHE 15 10.504 -7.854 6.410
108 H ARG 16 HN ARG 16 4.942 -3.370 1.908
109 HA ARG 16 HA ARG 16 6.479 -2.211 -0.139
110 HB2 ARG 16 HB2 ARG 16 3.553 -1.683 0.353
111 HB3 ARG 16 HB1 ARG 16 4.410 -1.635 -1.170
112 HG2 ARG 16 HG2 ARG 16 4.041 -4.115 0.454
113 HG3 ARG 16 HG1 ARG 16 2.985 -3.622 -0.870
114 HD2 ARG 16 HD2 ARG 16 5.240 -3.479 -2.198
115 HD3 ARG 16 HD1 ARG 16 5.813 -4.576 -0.941
116 HE ARG 16 HE ARG 16 3.390 -5.555 -1.955
117 HH11 ARG 16 HH11 ARG 16 6.699 -5.082 -2.958
118 HH12 ARG 16 HH12 ARG 16 6.679 -6.401 -4.079
119 HH21 ARG 16 HH21 ARG 16 3.362 -7.290 -3.428
120 HH22 ARG 16 HH22 ARG 16 4.784 -7.655 -4.347
121 H CYS 17 HN CYS 17 4.493 -0.676 2.396
122 HA CYS 17 HA CYS 17 5.099 1.951 1.560
123 HB2 CYS 17 HB2 CYS 17 3.939 0.761 4.032
124 HB3 CYS 17 HB1 CYS 17 4.465 2.439 4.057
125 H ARG 18 HN ARG 18 6.852 -0.347 3.399
126 HA ARG 18 HA ARG 18 8.512 1.374 4.890
127 HB2 ARG 18 HB2 ARG 18 8.268 -1.391 4.514
128 HB3 ARG 18 HB1 ARG 18 9.914 -0.990 3.991
129 HG2 ARG 18 HG2 ARG 18 9.083 0.231 6.540
130 HG3 ARG 18 HG1 ARG 18 9.174 -1.532 6.553
131 HD2 ARG 18 HD2 ARG 18 11.439 -1.547 6.071
132 HD3 ARG 18 HD1 ARG 18 11.404 0.071 5.372
133 HE ARG 18 HE ARG 18 10.798 0.029 8.177
134 HH11 ARG 18 HH11 ARG 18 13.368 0.109 5.818
135 HH12 ARG 18 HH12 ARG 18 14.507 0.839 6.899
136 HH21 ARG 18 HH21 ARG 18 12.294 0.989 9.601
137 HH22 ARG 18 HH22 ARG 18 13.898 1.338 9.048
138 H THR 19 HN THR 19 8.992 -0.277 1.868
139 HA THR 19 HA THR 19 11.287 1.451 1.309
140 HB THR 19 HB THR 19 11.946 -0.750 1.711
141 HG1 THR 19 HG1 THR 19 12.809 -1.364 -0.282
142 HG21 THR 19 HG21 THR 19 9.765 -1.658 -0.132
143 HG22 THR 19 HG22 THR 19 9.890 -1.905 1.613
144 HG23 THR 19 HG23 THR 19 11.035 -2.696 0.523
145 H SER 20 HN SER 20 8.304 0.179 -0.040
146 HA SER 20 HA SER 20 8.864 1.503 -2.600
147 HB2 SER 20 HB2 SER 20 6.464 -0.221 -2.020
148 HB3 SER 20 HB1 SER 20 7.205 0.144 -3.578
149 HG SER 20 HG SER 20 8.328 -1.432 -1.501
150 H MET 21 HN MET 21 8.077 3.461 -2.978
151 HA MET 21 HA MET 21 6.148 4.661 -1.212
152 HB2 MET 21 HB2 MET 21 7.471 5.704 -3.719
153 HB3 MET 21 HB1 MET 21 6.444 6.660 -2.660
154 HG2 MET 21 HG2 MET 21 8.488 7.255 -1.873
155 HG3 MET 21 HG1 MET 21 8.155 5.873 -0.831
156 HE1 MET 21 HE1 MET 21 9.303 5.649 -4.721
157 HE2 MET 21 HE2 MET 21 11.019 5.933 -4.427
158 HE3 MET 21 HE3 MET 21 9.834 7.169 -4.001
159 H LYS 22 HN LYS 22 6.133 3.309 -4.437
160 HA LYS 22 HA LYS 22 3.804 4.390 -5.473
161 HB2 LYS 22 HB2 LYS 22 5.559 2.773 -6.509
162 HB3 LYS 22 HB1 LYS 22 4.495 1.506 -5.915
163 HG2 LYS 22 HG2 LYS 22 2.988 3.506 -7.329
164 HG3 LYS 22 HG1 LYS 22 4.307 2.895 -8.327
165 HD2 LYS 22 HD2 LYS 22 2.491 1.035 -6.827
166 HD3 LYS 22 HD1 LYS 22 2.050 1.668 -8.414
167 HE2 LYS 22 HE2 LYS 22 4.065 0.725 -9.380
168 HE3 LYS 22 HE1 LYS 22 4.590 0.163 -7.793
169 HZ1 LYS 22 HZ1 LYS 22 2.189 -0.760 -9.278
170 HZ2 LYS 22 HZ2 LYS 22 2.608 -1.257 -7.716
171 HZ3 LYS 22 HZ3 LYS 22 3.612 -1.640 -9.023
172 H TYR 23 HN TYR 23 4.071 1.241 -3.831
173 HA TYR 23 HA TYR 23 1.407 0.567 -3.748
174 HB2 TYR 23 HB2 TYR 23 3.560 -0.018 -1.725
175 HB3 TYR 23 HB1 TYR 23 1.993 -0.813 -1.757
176 HD1 TYR 23 HD1 TYR 23 5.160 -0.367 -3.600
177 HD2 TYR 23 HD2 TYR 23 1.550 -2.589 -3.267
178 HE1 TYR 23 HE1 TYR 23 6.058 -2.048 -5.152
179 HE2 TYR 23 HE2 TYR 23 2.436 -4.275 -4.817
180 HH TYR 23 HH TYR 23 5.705 -4.418 -5.709
181 H ARG 24 HN ARG 24 3.027 2.954 -1.827
182 HA ARG 24 HA ARG 24 1.070 2.963 0.278
183 HB2 ARG 24 HB2 ARG 24 2.777 5.345 -0.091
184 HB3 ARG 24 HB1 ARG 24 2.435 4.423 1.361
185 HG2 ARG 24 HG2 ARG 24 3.961 2.647 0.461
186 HG3 ARG 24 HG1 ARG 24 4.417 3.787 -0.801
187 HD2 ARG 24 HD2 ARG 24 5.053 5.403 0.983
188 HD3 ARG 24 HD1 ARG 24 4.762 4.134 2.171
189 HE ARG 24 HE ARG 24 6.509 2.904 0.627
190 HH11 ARG 24 HH11 ARG 24 6.543 6.213 1.767
191 HH12 ARG 24 HH12 ARG 24 8.269 6.330 1.747
192 HH21 ARG 24 HH21 ARG 24 8.777 3.068 0.610
193 HH22 ARG 24 HH22 ARG 24 9.537 4.548 1.092
194 H LEU 25 HN LEU 25 1.978 5.484 -2.068
195 HA LEU 25 HA LEU 25 -0.589 6.779 -1.618
196 HB2 LEU 25 HB2 LEU 25 1.647 7.744 -3.377
197 HB3 LEU 25 HB1 LEU 25 0.357 8.689 -2.653
198 HG LEU 25 HG LEU 25 2.086 9.272 -1.269
199 HD11 LEU 25 HD11 LEU 25 1.517 8.528 0.774
200 HD12 LEU 25 HD12 LEU 25 1.735 6.833 0.342
201 HD13 LEU 25 HD13 LEU 25 0.247 7.672 -0.099
202 HD21 LEU 25 HD21 LEU 25 4.056 8.322 -1.626
203 HD22 LEU 25 HD22 LEU 25 3.296 6.894 -2.325
204 HD23 LEU 25 HD23 LEU 25 3.559 6.989 -0.583
205 H ASN 26 HN ASN 26 1.260 5.447 -4.335
206 HA ASN 26 HA ASN 26 -0.689 6.124 -6.286
207 HB2 ASN 26 HB2 ASN 26 1.869 5.474 -6.457
208 HB3 ASN 26 HB1 ASN 26 1.201 3.864 -6.721
209 HD21 ASN 26 HD21 ASN 26 1.674 3.625 -8.836
210 HD22 ASN 26 HD22 ASN 26 1.037 4.621 -10.095
211 H LEU 27 HN LEU 27 -0.061 3.208 -4.397
212 HA LEU 27 HA LEU 27 -2.328 1.876 -5.671
213 HB2 LEU 27 HB2 LEU 27 0.093 0.921 -5.025
214 HB3 LEU 27 HB1 LEU 27 -0.752 0.546 -3.539
215 HG LEU 27 HG LEU 27 -2.511 -0.483 -5.263
216 HD11 LEU 27 HD11 LEU 27 -0.155 -1.428 -6.708
217 HD12 LEU 27 HD12 LEU 27 -0.530 0.270 -6.999
218 HD13 LEU 27 HD13 LEU 27 -1.748 -0.967 -7.309
219 HD21 LEU 27 HD21 LEU 27 -0.452 -1.457 -3.563
220 HD22 LEU 27 HD22 LEU 27 -0.476 -2.448 -5.022
221 HD23 LEU 27 HD23 LEU 27 -1.942 -2.259 -4.061
222 H CYS 28 HN CYS 28 -2.224 0.428 -2.749
223 HA CYS 28 HA CYS 28 -4.586 1.744 -1.823
224 HB2 CYS 28 HB2 CYS 28 -4.432 0.161 0.030
225 HB3 CYS 28 HB1 CYS 28 -4.147 -0.665 -1.504
226 H LYS 29 HN LYS 29 -4.855 2.947 0.026
227 HA LYS 29 HA LYS 29 -2.584 4.530 0.827
228 HB2 LYS 29 HB2 LYS 29 -5.513 4.665 1.536
229 HB3 LYS 29 HB1 LYS 29 -4.303 5.760 2.194
230 HG2 LYS 29 HG2 LYS 29 -4.225 5.562 -0.715
231 HG3 LYS 29 HG1 LYS 29 -5.758 6.172 -0.086
232 HD2 LYS 29 HD2 LYS 29 -3.091 7.260 0.785
233 HD3 LYS 29 HD1 LYS 29 -3.980 7.906 -0.595
234 HE2 LYS 29 HE2 LYS 29 -5.294 9.099 0.743
235 HE3 LYS 29 HE1 LYS 29 -5.723 7.665 1.674
236 HZ1 LYS 29 HZ1 LYS 29 -4.159 8.099 3.241
237 HZ2 LYS 29 HZ2 LYS 29 -4.458 9.689 2.750
238 HZ3 LYS 29 HZ3 LYS 29 -3.103 8.865 2.164
239 H LYS 30 HN LYS 30 -5.067 2.663 2.540
240 HA LYS 30 HA LYS 30 -3.521 2.656 4.957
241 HB2 LYS 30 HB2 LYS 30 -5.887 2.870 5.158
242 HB3 LYS 30 HB1 LYS 30 -6.155 1.405 4.222
243 HG2 LYS 30 HG2 LYS 30 -6.513 0.720 6.404
244 HG3 LYS 30 HG1 LYS 30 -4.848 0.223 6.089
245 HD2 LYS 30 HD2 LYS 30 -3.963 1.823 7.463
246 HD3 LYS 30 HD1 LYS 30 -5.328 2.920 7.243
247 HE2 LYS 30 HE2 LYS 30 -6.721 1.471 8.633
248 HE3 LYS 30 HE1 LYS 30 -5.367 0.362 8.842
249 HZ1 LYS 30 HZ1 LYS 30 -5.956 2.320 10.548
250 HZ2 LYS 30 HZ2 LYS 30 -4.844 3.124 9.558
251 HZ3 LYS 30 HZ3 LYS 30 -4.396 1.696 10.347
252 H THR 31 HN THR 31 -4.777 -0.012 2.900
253 HA THR 31 HA THR 31 -3.717 -2.095 4.306
254 HB THR 31 HB THR 31 -3.875 -1.927 1.300
255 HG1 THR 31 HG1 THR 31 -5.754 -2.842 3.218
256 HG21 THR 31 HG21 THR 31 -3.945 -4.265 1.248
257 HG22 THR 31 HG22 THR 31 -4.097 -4.379 3.000
258 HG23 THR 31 HG23 THR 31 -2.574 -3.859 2.283
259 H CYS 32 HN CYS 32 -1.949 0.080 2.245
260 HA CYS 32 HA CYS 32 0.391 -1.585 2.086
261 HB2 CYS 32 HB2 CYS 32 0.168 0.022 0.349
262 HB3 CYS 32 HB1 CYS 32 -0.050 1.342 1.491
263 H GLY 33 HN GLY 33 -0.957 0.339 4.491
264 HA2 GLY 33 HA2 GLY 33 -0.222 0.453 6.710
265 HA3 GLY 33 HA1 GLY 33 1.360 -0.100 6.191
266 H THR 34 HN THR 34 -0.575 2.715 5.149
267 HA THR 34 HA THR 34 1.489 4.455 6.298
268 HB THR 34 HB THR 34 2.146 4.338 4.009
269 HG1 THR 34 HG1 THR 34 2.045 6.456 3.505
270 HG21 THR 34 HG21 THR 34 0.723 4.847 2.139
271 HG22 THR 34 HG22 THR 34 -0.656 5.059 3.216
272 HG23 THR 34 HG23 THR 34 0.082 3.466 3.028
273 H CYS 35 HN CYS 35 -1.793 4.094 5.084
274 HA CYS 35 HA CYS 35 -2.774 6.652 5.521
275 HB2 CYS 35 HB2 CYS 35 -4.030 4.787 4.440
276 HB3 CYS 35 HB1 CYS 35 -4.272 4.076 6.032
Start of MODEL 15
1 H1 ALA 2 HT1 ALA 2 -11.472 7.009 2.156
2 H2 ALA 2 HT2 ALA 2 -10.998 8.120 0.937
3 H3 ALA 2 HT3 ALA 2 -12.157 8.580 2.117
4 HA ALA 2 HA ALA 2 -9.819 9.412 2.364
5 HB1 ALA 2 HB1 ALA 2 -10.206 9.677 4.591
6 HB2 ALA 2 HB2 ALA 2 -10.666 7.991 4.827
7 HB3 ALA 2 HB3 ALA 2 -11.805 9.121 4.096
8 H CYS 3 HN CYS 3 -10.382 6.110 3.598
9 HA CYS 3 HA CYS 3 -7.576 5.491 2.985
10 HB2 CYS 3 HB2 CYS 3 -9.036 5.000 5.575
11 HB3 CYS 3 HB1 CYS 3 -7.611 4.073 5.121
12 H LYS 4 HN LYS 4 -8.081 4.259 1.199
13 HA LYS 4 HA LYS 4 -9.609 1.802 1.752
14 HB2 LYS 4 HB2 LYS 4 -9.806 3.709 -0.521
15 HB3 LYS 4 HB1 LYS 4 -9.964 1.998 -0.891
16 HG2 LYS 4 HG2 LYS 4 -11.565 2.953 1.384
17 HG3 LYS 4 HG1 LYS 4 -12.019 3.592 -0.197
18 HD2 LYS 4 HD2 LYS 4 -12.070 1.236 -1.040
19 HD3 LYS 4 HD1 LYS 4 -11.830 0.696 0.623
20 HE2 LYS 4 HE2 LYS 4 -14.080 2.534 -0.135
21 HE3 LYS 4 HE1 LYS 4 -14.228 0.783 -0.275
22 HZ1 LYS 4 HZ1 LYS 4 -14.029 0.508 2.012
23 HZ2 LYS 4 HZ2 LYS 4 -15.014 1.876 1.870
24 HZ3 LYS 4 HZ3 LYS 4 -13.376 2.051 2.253
25 H ASP 5 HN ASP 5 -9.145 0.237 -0.271
26 HA ASP 5 HA ASP 5 -6.224 0.112 -0.545
27 HB2 ASP 5 HB2 ASP 5 -6.382 -2.324 -0.423
28 HB3 ASP 5 HB1 ASP 5 -7.045 -1.571 1.021
29 H TYR 6 HN TYR 6 -5.540 0.235 -2.532
30 HA TYR 6 HA TYR 6 -7.268 0.026 -4.796
31 HB2 TYR 6 HB2 TYR 6 -4.935 1.340 -4.324
32 HB3 TYR 6 HB1 TYR 6 -4.339 -0.045 -5.230
33 HD1 TYR 6 HD1 TYR 6 -5.298 -0.488 -7.527
34 HD2 TYR 6 HD2 TYR 6 -6.008 3.134 -5.412
35 HE1 TYR 6 HE1 TYR 6 -5.949 0.606 -9.631
36 HE2 TYR 6 HE2 TYR 6 -6.662 4.238 -7.510
37 HH TYR 6 HH TYR 6 -7.456 3.685 -9.713
38 H LEU 7 HN LEU 7 -5.626 -2.234 -2.917
39 HA LEU 7 HA LEU 7 -6.136 -4.334 -4.859
40 HB2 LEU 7 HB2 LEU 7 -3.422 -3.495 -3.965
41 HB3 LEU 7 HB1 LEU 7 -3.716 -5.190 -4.163
42 HG LEU 7 HG LEU 7 -4.520 -3.441 -6.407
43 HD11 LEU 7 HD11 LEU 7 -1.748 -3.748 -5.425
44 HD12 LEU 7 HD12 LEU 7 -2.501 -2.416 -6.304
45 HD13 LEU 7 HD13 LEU 7 -2.015 -3.879 -7.163
46 HD21 LEU 7 HD21 LEU 7 -3.799 -6.234 -5.931
47 HD22 LEU 7 HD22 LEU 7 -3.124 -5.552 -7.408
48 HD23 LEU 7 HD23 LEU 7 -4.867 -5.526 -7.139
49 HA PRO 8 HA PRO 8 -6.797 -6.653 -1.152
50 HB2 PRO 8 HB2 PRO 8 -6.020 -9.140 -1.638
51 HB3 PRO 8 HB1 PRO 8 -7.301 -8.389 -2.602
52 HG2 PRO 8 HG2 PRO 8 -4.430 -8.808 -3.251
53 HG3 PRO 8 HG1 PRO 8 -5.855 -8.993 -4.287
54 HD2 PRO 8 HD2 PRO 8 -4.186 -6.782 -4.224
55 HD3 PRO 8 HD1 PRO 8 -5.818 -6.766 -4.882
56 H LYS 9 HN LYS 9 -5.904 -7.946 0.575
57 HA LYS 9 HA LYS 9 -3.688 -6.788 1.750
58 HB2 LYS 9 HB2 LYS 9 -4.766 -9.548 2.333
59 HB3 LYS 9 HB1 LYS 9 -3.798 -8.556 3.415
60 HG2 LYS 9 HG2 LYS 9 -5.538 -7.157 3.918
61 HG3 LYS 9 HG1 LYS 9 -6.367 -7.458 2.389
62 HD2 LYS 9 HD2 LYS 9 -7.084 -9.619 3.128
63 HD3 LYS 9 HD1 LYS 9 -6.082 -9.513 4.577
64 HE2 LYS 9 HE2 LYS 9 -7.441 -7.736 5.453
65 HE3 LYS 9 HE1 LYS 9 -8.361 -7.641 3.952
66 HZ1 LYS 9 HZ1 LYS 9 -8.342 -9.891 5.888
67 HZ2 LYS 9 HZ2 LYS 9 -9.112 -9.943 4.383
68 HZ3 LYS 9 HZ3 LYS 9 -9.629 -8.842 5.559
69 H SER 10 HN SER 10 -3.771 -9.312 -0.594
70 HA SER 10 HA SER 10 -1.190 -10.392 0.055
71 HB2 SER 10 HB2 SER 10 -3.140 -10.806 -2.194
72 HB3 SER 10 HB1 SER 10 -1.515 -11.488 -2.269
73 HG SER 10 HG SER 10 -3.313 -12.791 -1.293
74 H GLU 11 HN GLU 11 -2.315 -7.712 -1.815
75 HA GLU 11 HA GLU 11 0.189 -7.589 -3.331
76 HB2 GLU 11 HB2 GLU 11 -2.536 -6.609 -3.658
77 HB3 GLU 11 HB1 GLU 11 -1.335 -5.383 -4.018
78 HG2 GLU 11 HG2 GLU 11 -0.662 -7.912 -5.243
79 HG3 GLU 11 HG1 GLU 11 -2.284 -7.386 -5.700
80 H CYS 12 HN CYS 12 -1.689 -5.810 -0.968
81 HA CYS 12 HA CYS 12 0.441 -3.820 -0.763
82 HB2 CYS 12 HB2 CYS 12 -2.455 -3.878 -0.170
83 HB3 CYS 12 HB1 CYS 12 -1.459 -2.865 0.884
84 H THR 13 HN THR 13 1.989 -4.387 0.559
85 HA THR 13 HA THR 13 1.270 -5.621 3.137
86 HB THR 13 HB THR 13 3.677 -6.533 3.014
87 HG1 THR 13 HG1 THR 13 3.331 -6.016 0.256
88 HG21 THR 13 HG21 THR 13 1.551 -7.856 2.502
89 HG22 THR 13 HG22 THR 13 3.069 -8.470 1.848
90 HG23 THR 13 HG23 THR 13 1.945 -7.597 0.800
91 H GLN 14 HN GLN 14 2.261 -4.823 4.999
92 HA GLN 14 HA GLN 14 2.836 -2.140 5.188
93 HB2 GLN 14 HB2 GLN 14 4.136 -4.245 6.924
94 HB3 GLN 14 HB1 GLN 14 3.771 -2.581 7.359
95 HG2 GLN 14 HG2 GLN 14 1.836 -4.836 6.920
96 HG3 GLN 14 HG1 GLN 14 2.162 -3.960 8.414
97 HE21 GLN 14 HE21 GLN 14 0.366 -4.046 5.499
98 HE22 GLN 14 HE22 GLN 14 -0.540 -2.597 5.751
99 H PHE 15 HN PHE 15 4.874 -4.763 4.232
100 HA PHE 15 HA PHE 15 7.401 -3.585 4.406
101 HB2 PHE 15 HB2 PHE 15 6.163 -5.880 3.084
102 HB3 PHE 15 HB1 PHE 15 7.512 -5.221 2.179
103 HD1 PHE 15 HD1 PHE 15 9.724 -4.945 3.382
104 HD2 PHE 15 HD2 PHE 15 6.506 -7.248 4.943
105 HE1 PHE 15 HE1 PHE 15 11.295 -6.123 4.856
106 HE2 PHE 15 HE2 PHE 15 8.072 -8.435 6.426
107 HZ PHE 15 HZ PHE 15 10.471 -7.874 6.385
108 H ARG 16 HN ARG 16 4.922 -3.453 1.912
109 HA ARG 16 HA ARG 16 6.367 -2.229 -0.123
110 HB2 ARG 16 HB2 ARG 16 3.451 -1.815 0.546
111 HB3 ARG 16 HB1 ARG 16 4.211 -1.509 -1.001
112 HG2 ARG 16 HG2 ARG 16 4.074 -4.197 0.301
113 HG3 ARG 16 HG1 ARG 16 2.928 -3.611 -0.903
114 HD2 ARG 16 HD2 ARG 16 4.980 -3.210 -2.381
115 HD3 ARG 16 HD1 ARG 16 5.852 -4.220 -1.228
116 HE ARG 16 HE ARG 16 3.458 -5.462 -2.174
117 HH11 ARG 16 HH11 ARG 16 6.801 -4.834 -2.953
118 HH12 ARG 16 HH12 ARG 16 6.946 -6.206 -3.998
119 HH21 ARG 16 HH21 ARG 16 3.646 -7.268 -3.547
120 HH22 ARG 16 HH22 ARG 16 5.154 -7.588 -4.337
121 H CYS 17 HN CYS 17 4.446 -0.669 2.454
122 HA CYS 17 HA CYS 17 5.082 1.949 1.610
123 HB2 CYS 17 HB2 CYS 17 3.946 0.784 4.110
124 HB3 CYS 17 HB1 CYS 17 4.475 2.461 4.100
125 H ARG 18 HN ARG 18 6.805 -0.373 3.449
126 HA ARG 18 HA ARG 18 8.519 1.315 4.908
127 HB2 ARG 18 HB2 ARG 18 8.224 -1.444 4.533
128 HB3 ARG 18 HB1 ARG 18 9.868 -1.071 3.984
129 HG2 ARG 18 HG2 ARG 18 10.288 0.029 6.159
130 HG3 ARG 18 HG1 ARG 18 8.677 -0.450 6.696
131 HD2 ARG 18 HD2 ARG 18 10.662 -2.462 5.687
132 HD3 ARG 18 HD1 ARG 18 10.666 -1.927 7.367
133 HE ARG 18 HE ARG 18 8.815 -3.723 6.138
134 HH11 ARG 18 HH11 ARG 18 9.171 -1.337 8.659
135 HH12 ARG 18 HH12 ARG 18 7.895 -1.990 9.631
136 HH21 ARG 18 HH21 ARG 18 7.135 -4.584 7.414
137 HH22 ARG 18 HH22 ARG 18 6.739 -3.834 8.924
138 H THR 19 HN THR 19 8.925 -0.334 1.874
139 HA THR 19 HA THR 19 11.244 1.354 1.286
140 HB THR 19 HB THR 19 11.856 -0.867 1.675
141 HG1 THR 19 HG1 THR 19 11.619 -0.678 -1.155
142 HG21 THR 19 HG21 THR 19 10.895 -2.781 0.473
143 HG22 THR 19 HG22 THR 19 9.647 -1.709 -0.168
144 HG23 THR 19 HG23 THR 19 9.772 -1.975 1.575
145 H SER 20 HN SER 20 8.231 0.118 -0.054
146 HA SER 20 HA SER 20 8.800 1.447 -2.607
147 HB2 SER 20 HB2 SER 20 6.618 -0.498 -1.832
148 HB3 SER 20 HB1 SER 20 6.792 0.224 -3.431
149 HG SER 20 HG SER 20 8.017 -1.922 -2.444
150 H MET 21 HN MET 21 8.039 3.406 -2.988
151 HA MET 21 HA MET 21 6.108 4.639 -1.245
152 HB2 MET 21 HB2 MET 21 7.773 5.539 -3.561
153 HB3 MET 21 HB1 MET 21 6.412 6.526 -3.049
154 HG2 MET 21 HG2 MET 21 7.458 7.243 -1.207
155 HG3 MET 21 HG1 MET 21 8.174 5.668 -0.876
156 HE1 MET 21 HE1 MET 21 10.160 9.243 -1.699
157 HE2 MET 21 HE2 MET 21 10.710 8.101 -0.473
158 HE3 MET 21 HE3 MET 21 9.009 8.561 -0.550
159 H LYS 22 HN LYS 22 6.175 3.516 -4.589
160 HA LYS 22 HA LYS 22 3.819 4.566 -5.556
161 HB2 LYS 22 HB2 LYS 22 5.422 3.377 -6.949
162 HB3 LYS 22 HB1 LYS 22 5.038 1.865 -6.140
163 HG2 LYS 22 HG2 LYS 22 3.730 1.586 -7.952
164 HG3 LYS 22 HG1 LYS 22 2.590 2.525 -6.987
165 HD2 LYS 22 HD2 LYS 22 3.115 4.522 -8.150
166 HD3 LYS 22 HD1 LYS 22 4.525 3.788 -8.914
167 HE2 LYS 22 HE2 LYS 22 2.726 2.120 -9.864
168 HE3 LYS 22 HE1 LYS 22 1.632 3.465 -9.546
169 HZ1 LYS 22 HZ1 LYS 22 2.849 4.856 -10.997
170 HZ2 LYS 22 HZ2 LYS 22 2.618 3.400 -11.827
171 HZ3 LYS 22 HZ3 LYS 22 4.120 3.746 -11.132
172 H TYR 23 HN TYR 23 4.238 1.550 -3.736
173 HA TYR 23 HA TYR 23 1.561 0.688 -3.919
174 HB2 TYR 23 HB2 TYR 23 3.820 0.052 -2.056
175 HB3 TYR 23 HB1 TYR 23 2.224 -0.651 -1.820
176 HD1 TYR 23 HD2 TYR 23 4.384 -0.036 -4.805
177 HD2 TYR 23 HD1 TYR 23 2.163 -2.835 -2.505
178 HE1 TYR 23 HE2 TYR 23 4.937 -1.802 -6.430
179 HE2 TYR 23 HE1 TYR 23 2.708 -4.607 -4.111
180 HH TYR 23 HH TYR 23 5.112 -4.440 -6.293
181 H ARG 24 HN ARG 24 3.090 3.007 -1.883
182 HA ARG 24 HA ARG 24 1.101 2.924 0.191
183 HB2 ARG 24 HB2 ARG 24 2.804 5.325 -0.085
184 HB3 ARG 24 HB1 ARG 24 2.427 4.374 1.340
185 HG2 ARG 24 HG2 ARG 24 3.978 2.624 0.484
186 HG3 ARG 24 HG1 ARG 24 4.437 3.738 -0.802
187 HD2 ARG 24 HD2 ARG 24 5.078 5.389 0.942
188 HD3 ARG 24 HD1 ARG 24 4.773 4.155 2.162
189 HE ARG 24 HE ARG 24 6.516 2.879 0.635
190 HH11 ARG 24 HH11 ARG 24 6.570 6.186 1.777
191 HH12 ARG 24 HH12 ARG 24 8.297 6.283 1.788
192 HH21 ARG 24 HH21 ARG 24 8.787 3.014 0.662
193 HH22 ARG 24 HH22 ARG 24 9.556 4.484 1.157
194 H LEU 25 HN LEU 25 2.028 5.505 -2.073
195 HA LEU 25 HA LEU 25 -0.540 6.795 -1.625
196 HB2 LEU 25 HB2 LEU 25 1.704 7.785 -3.360
197 HB3 LEU 25 HB1 LEU 25 0.422 8.720 -2.609
198 HG LEU 25 HG LEU 25 2.175 9.261 -1.233
199 HD11 LEU 25 HD11 LEU 25 1.800 6.829 0.368
200 HD12 LEU 25 HD12 LEU 25 0.309 7.652 -0.089
201 HD13 LEU 25 HD13 LEU 25 1.561 8.523 0.793
202 HD21 LEU 25 HD21 LEU 25 3.608 6.949 -0.568
203 HD22 LEU 25 HD22 LEU 25 4.126 8.277 -1.606
204 HD23 LEU 25 HD23 LEU 25 3.341 6.866 -2.310
205 H ASN 26 HN ASN 26 1.328 5.514 -4.361
206 HA ASN 26 HA ASN 26 -0.617 6.232 -6.301
207 HB2 ASN 26 HB2 ASN 26 1.943 5.605 -6.486
208 HB3 ASN 26 HB1 ASN 26 1.289 3.998 -6.797
209 HD21 ASN 26 HD21 ASN 26 2.415 6.618 -8.283
210 HD22 ASN 26 HD22 ASN 26 1.517 6.565 -9.758
211 H LEU 27 HN LEU 27 0.001 3.257 -4.487
212 HA LEU 27 HA LEU 27 -2.253 1.977 -5.834
213 HB2 LEU 27 HB2 LEU 27 0.214 1.058 -4.923
214 HB3 LEU 27 HB1 LEU 27 -0.940 0.379 -3.801
215 HG LEU 27 HG LEU 27 -2.181 -0.592 -5.712
216 HD11 LEU 27 HD11 LEU 27 -0.108 0.904 -7.208
217 HD12 LEU 27 HD12 LEU 27 -1.787 0.562 -7.626
218 HD13 LEU 27 HD13 LEU 27 -0.558 -0.687 -7.822
219 HD21 LEU 27 HD21 LEU 27 -0.223 -2.173 -6.378
220 HD22 LEU 27 HD22 LEU 27 -0.798 -2.143 -4.711
221 HD23 LEU 27 HD23 LEU 27 0.672 -1.274 -5.153
222 H CYS 28 HN CYS 28 -2.151 0.461 -2.901
223 HA CYS 28 HA CYS 28 -4.555 1.731 -2.012
224 HB2 CYS 28 HB2 CYS 28 -4.467 0.129 -0.209
225 HB3 CYS 28 HB1 CYS 28 -4.007 -0.689 -1.704
226 H LYS 29 HN LYS 29 -4.873 2.932 -0.166
227 HA LYS 29 HA LYS 29 -2.633 4.546 0.665
228 HB2 LYS 29 HB2 LYS 29 -5.577 4.654 1.308
229 HB3 LYS 29 HB1 LYS 29 -4.394 5.755 2.006
230 HG2 LYS 29 HG2 LYS 29 -4.212 5.588 -0.894
231 HG3 LYS 29 HG1 LYS 29 -5.790 6.145 -0.328
232 HD2 LYS 29 HD2 LYS 29 -3.529 7.373 1.067
233 HD3 LYS 29 HD1 LYS 29 -3.575 7.723 -0.662
234 HE2 LYS 29 HE2 LYS 29 -5.289 9.124 -0.413
235 HE3 LYS 29 HE1 LYS 29 -6.200 7.946 0.530
236 HZ1 LYS 29 HZ1 LYS 29 -3.992 9.216 1.917
237 HZ2 LYS 29 HZ2 LYS 29 -5.555 8.867 2.460
238 HZ3 LYS 29 HZ3 LYS 29 -5.277 10.242 1.516
239 H LYS 30 HN LYS 30 -5.137 2.685 2.348
240 HA LYS 30 HA LYS 30 -3.637 2.702 4.794
241 HB2 LYS 30 HB2 LYS 30 -6.010 2.927 4.930
242 HB3 LYS 30 HB1 LYS 30 -6.257 1.437 4.028
243 HG2 LYS 30 HG2 LYS 30 -6.662 0.840 6.239
244 HG3 LYS 30 HG1 LYS 30 -5.011 0.290 5.938
245 HD2 LYS 30 HD2 LYS 30 -4.494 1.395 7.811
246 HD3 LYS 30 HD1 LYS 30 -4.614 2.846 6.814
247 HE2 LYS 30 HE2 LYS 30 -7.074 2.891 7.423
248 HE3 LYS 30 HE1 LYS 30 -6.702 1.657 8.627
249 HZ1 LYS 30 HZ1 LYS 30 -6.613 3.724 9.724
250 HZ2 LYS 30 HZ2 LYS 30 -5.681 4.435 8.505
251 HZ3 LYS 30 HZ3 LYS 30 -5.001 3.256 9.509
252 H THR 31 HN THR 31 -4.845 0.013 2.729
253 HA THR 31 HA THR 31 -3.831 -2.059 4.187
254 HB THR 31 HB THR 31 -3.902 -1.904 1.176
255 HG1 THR 31 HG1 THR 31 -5.918 -3.070 1.616
256 HG21 THR 31 HG21 THR 31 -2.578 -3.811 2.202
257 HG22 THR 31 HG22 THR 31 -3.895 -4.238 1.108
258 HG23 THR 31 HG23 THR 31 -4.116 -4.373 2.851
259 H CYS 32 HN CYS 32 -1.987 0.121 2.205
260 HA CYS 32 HA CYS 32 0.361 -1.549 2.146
261 HB2 CYS 32 HB2 CYS 32 0.180 0.041 0.379
262 HB3 CYS 32 HB1 CYS 32 -0.051 1.375 1.502
263 H GLY 33 HN GLY 33 -1.083 0.416 4.465
264 HA2 GLY 33 HA2 GLY 33 -0.437 0.583 6.706
265 HA3 GLY 33 HA1 GLY 33 1.162 0.010 6.265
266 H THR 34 HN THR 34 -0.780 2.814 5.196
267 HA THR 34 HA THR 34 1.255 4.581 6.333
268 HB THR 34 HB THR 34 2.009 4.353 4.067
269 HG1 THR 34 HG1 THR 34 2.305 6.410 4.374
270 HG21 THR 34 HG21 THR 34 0.000 3.531 2.988
271 HG22 THR 34 HG22 THR 34 0.650 4.934 2.140
272 HG23 THR 34 HG23 THR 34 -0.759 5.112 3.186
273 H CYS 35 HN CYS 35 -1.964 4.199 4.946
274 HA CYS 35 HA CYS 35 -2.910 6.800 5.322
275 HB2 CYS 35 HB2 CYS 35 -3.983 4.545 4.305
276 HB3 CYS 35 HB1 CYS 35 -4.821 4.602 5.848
Start of MODEL 16
1 H1 ALA 2 HT1 ALA 2 -12.535 6.414 6.376
2 H2 ALA 2 HT2 ALA 2 -11.735 5.409 5.237
3 H3 ALA 2 HT3 ALA 2 -12.957 6.496 4.717
4 HA ALA 2 HA ALA 2 -11.671 8.323 5.015
5 HB1 ALA 2 HB1 ALA 2 -10.089 8.584 6.598
6 HB2 ALA 2 HB2 ALA 2 -9.380 6.996 6.305
7 HB3 ALA 2 HB3 ALA 2 -10.835 7.144 7.290
8 H CYS 3 HN CYS 3 -9.801 5.292 4.764
9 HA CYS 3 HA CYS 3 -8.782 6.257 2.171
10 HB2 CYS 3 HB2 CYS 3 -7.437 4.612 4.309
11 HB3 CYS 3 HB1 CYS 3 -6.832 4.677 2.658
12 H LYS 4 HN LYS 4 -7.838 4.213 0.929
13 HA LYS 4 HA LYS 4 -9.590 1.903 1.183
14 HB2 LYS 4 HB2 LYS 4 -9.530 3.720 -1.218
15 HB3 LYS 4 HB1 LYS 4 -10.025 2.038 -1.344
16 HG2 LYS 4 HG2 LYS 4 -11.487 3.081 0.795
17 HG3 LYS 4 HG1 LYS 4 -11.521 4.325 -0.455
18 HD2 LYS 4 HD2 LYS 4 -11.971 2.068 -1.914
19 HD3 LYS 4 HD1 LYS 4 -12.774 1.672 -0.393
20 HE2 LYS 4 HE2 LYS 4 -13.945 3.887 -0.551
21 HE3 LYS 4 HE1 LYS 4 -13.276 4.050 -2.174
22 HZ1 LYS 4 HZ1 LYS 4 -15.191 3.053 -2.744
23 HZ2 LYS 4 HZ2 LYS 4 -15.431 2.359 -1.220
24 HZ3 LYS 4 HZ3 LYS 4 -14.376 1.630 -2.324
25 H ASP 5 HN ASP 5 -8.982 0.270 -0.643
26 HA ASP 5 HA ASP 5 -6.064 0.297 -0.912
27 HB2 ASP 5 HB2 ASP 5 -6.084 -2.133 -0.654
28 HB3 ASP 5 HB1 ASP 5 -6.802 -1.340 0.740
29 H TYR 6 HN TYR 6 -5.344 0.319 -2.889
30 HA TYR 6 HA TYR 6 -7.004 -0.005 -5.170
31 HB2 TYR 6 HB2 TYR 6 -4.184 0.664 -4.627
32 HB3 TYR 6 HB1 TYR 6 -4.451 -0.173 -6.151
33 HD1 TYR 6 HD1 TYR 6 -6.405 2.433 -4.311
34 HD2 TYR 6 HD2 TYR 6 -4.390 1.334 -7.893
35 HE1 TYR 6 HE1 TYR 6 -7.111 4.547 -5.351
36 HE2 TYR 6 HE2 TYR 6 -5.088 3.445 -8.942
37 HH TYR 6 HH TYR 6 -6.982 5.120 -8.624
38 H LEU 7 HN LEU 7 -5.412 -2.221 -3.159
39 HA LEU 7 HA LEU 7 -6.000 -4.395 -5.003
40 HB2 LEU 7 HB2 LEU 7 -3.276 -3.617 -4.086
41 HB3 LEU 7 HB1 LEU 7 -3.629 -5.305 -4.244
42 HG LEU 7 HG LEU 7 -4.351 -3.622 -6.556
43 HD11 LEU 7 HD11 LEU 7 -1.573 -3.973 -5.557
44 HD12 LEU 7 HD12 LEU 7 -2.324 -2.580 -6.335
45 HD13 LEU 7 HD13 LEU 7 -1.875 -3.991 -7.293
46 HD21 LEU 7 HD21 LEU 7 -2.831 -5.831 -7.317
47 HD22 LEU 7 HD22 LEU 7 -4.586 -5.673 -7.372
48 HD23 LEU 7 HD23 LEU 7 -3.810 -6.388 -5.962
49 HA PRO 8 HA PRO 8 -6.814 -6.526 -1.217
50 HB2 PRO 8 HB2 PRO 8 -6.130 -9.059 -1.588
51 HB3 PRO 8 HB1 PRO 8 -7.363 -8.297 -2.603
52 HG2 PRO 8 HG2 PRO 8 -4.504 -8.863 -3.185
53 HG3 PRO 8 HG1 PRO 8 -5.918 -9.022 -4.239
54 HD2 PRO 8 HD2 PRO 8 -4.151 -6.886 -4.219
55 HD3 PRO 8 HD1 PRO 8 -5.763 -6.826 -4.920
56 H LYS 9 HN LYS 9 -6.016 -7.786 0.576
57 HA LYS 9 HA LYS 9 -3.805 -6.677 1.786
58 HB2 LYS 9 HB2 LYS 9 -4.914 -9.419 2.390
59 HB3 LYS 9 HB1 LYS 9 -4.014 -8.381 3.487
60 HG2 LYS 9 HG2 LYS 9 -6.402 -7.119 2.379
61 HG3 LYS 9 HG1 LYS 9 -6.734 -8.562 3.340
62 HD2 LYS 9 HD2 LYS 9 -4.810 -6.588 4.442
63 HD3 LYS 9 HD1 LYS 9 -6.518 -6.145 4.431
64 HE2 LYS 9 HE2 LYS 9 -5.773 -8.841 5.437
65 HE3 LYS 9 HE1 LYS 9 -5.421 -7.448 6.459
66 HZ1 LYS 9 HZ1 LYS 9 -7.579 -8.327 6.989
67 HZ2 LYS 9 HZ2 LYS 9 -8.079 -8.210 5.377
68 HZ3 LYS 9 HZ3 LYS 9 -7.769 -6.807 6.269
69 H SER 10 HN SER 10 -3.891 -9.292 -0.476
70 HA SER 10 HA SER 10 -1.344 -10.392 0.244
71 HB2 SER 10 HB2 SER 10 -2.676 -10.777 -2.426
72 HB3 SER 10 HB1 SER 10 -1.650 -11.899 -1.532
73 HG SER 10 HG SER 10 -3.837 -12.493 -1.375
74 H GLU 11 HN GLU 11 -2.383 -7.746 -1.727
75 HA GLU 11 HA GLU 11 0.175 -7.654 -3.152
76 HB2 GLU 11 HB2 GLU 11 -2.537 -6.718 -3.596
77 HB3 GLU 11 HB1 GLU 11 -1.358 -5.458 -3.903
78 HG2 GLU 11 HG2 GLU 11 -0.651 -8.026 -5.091
79 HG3 GLU 11 HG1 GLU 11 -2.192 -7.384 -5.669
80 H CYS 12 HN CYS 12 -1.796 -5.828 -0.905
81 HA CYS 12 HA CYS 12 0.289 -3.800 -0.677
82 HB2 CYS 12 HB2 CYS 12 -2.613 -3.938 -0.065
83 HB3 CYS 12 HB1 CYS 12 -1.632 -2.816 0.888
84 H THR 13 HN THR 13 1.836 -4.332 0.673
85 HA THR 13 HA THR 13 1.088 -5.483 3.282
86 HB THR 13 HB THR 13 3.470 -6.429 3.240
87 HG1 THR 13 HG1 THR 13 4.347 -6.660 1.149
88 HG21 THR 13 HG21 THR 13 1.817 -7.531 0.988
89 HG22 THR 13 HG22 THR 13 1.349 -7.739 2.679
90 HG23 THR 13 HG23 THR 13 2.886 -8.386 2.105
91 H GLN 14 HN GLN 14 2.035 -4.600 5.119
92 HA GLN 14 HA GLN 14 2.643 -1.916 5.187
93 HB2 GLN 14 HB2 GLN 14 3.471 -4.159 7.025
94 HB3 GLN 14 HB1 GLN 14 3.867 -2.480 7.367
95 HG2 GLN 14 HG2 GLN 14 1.923 -2.867 8.580
96 HG3 GLN 14 HG1 GLN 14 1.368 -2.023 7.136
97 HE21 GLN 14 HE21 GLN 14 0.095 -3.096 5.652
98 HE22 GLN 14 HE22 GLN 14 -0.590 -4.652 5.956
99 H PHE 15 HN PHE 15 4.652 -4.609 4.400
100 HA PHE 15 HA PHE 15 7.200 -3.477 4.603
101 HB2 PHE 15 HB2 PHE 15 5.943 -5.794 3.336
102 HB3 PHE 15 HB1 PHE 15 7.334 -5.203 2.446
103 HD1 PHE 15 HD1 PHE 15 9.521 -4.942 3.704
104 HD2 PHE 15 HD2 PHE 15 6.194 -7.093 5.256
105 HE1 PHE 15 HE1 PHE 15 11.013 -6.104 5.271
106 HE2 PHE 15 HE2 PHE 15 7.681 -8.262 6.831
107 HZ PHE 15 HZ PHE 15 10.095 -7.768 6.840
108 H ARG 16 HN ARG 16 4.798 -3.412 2.033
109 HA ARG 16 HA ARG 16 6.325 -2.293 -0.007
110 HB2 ARG 16 HB2 ARG 16 3.396 -1.773 0.508
111 HB3 ARG 16 HB1 ARG 16 4.230 -1.667 -1.028
112 HG2 ARG 16 HG2 ARG 16 3.862 -4.174 0.566
113 HG3 ARG 16 HG1 ARG 16 2.898 -3.698 -0.830
114 HD2 ARG 16 HD2 ARG 16 4.808 -3.834 -2.271
115 HD3 ARG 16 HD1 ARG 16 5.887 -4.074 -0.897
116 HE ARG 16 HE ARG 16 3.840 -6.084 -1.156
117 HH11 ARG 16 HH11 ARG 16 7.062 -5.125 -2.094
118 HH12 ARG 16 HH12 ARG 16 7.576 -6.741 -2.443
119 HH21 ARG 16 HH21 ARG 16 4.514 -8.209 -1.614
120 HH22 ARG 16 HH22 ARG 16 6.130 -8.492 -2.171
121 H CYS 17 HN CYS 17 4.389 -0.630 2.485
122 HA CYS 17 HA CYS 17 5.040 1.960 1.536
123 HB2 CYS 17 HB2 CYS 17 3.867 0.896 4.068
124 HB3 CYS 17 HB1 CYS 17 4.399 2.570 3.994
125 H ARG 18 HN ARG 18 6.707 -0.315 3.486
126 HA ARG 18 HA ARG 18 8.424 1.416 4.902
127 HB2 ARG 18 HB2 ARG 18 8.066 -1.352 4.674
128 HB3 ARG 18 HB1 ARG 18 9.732 -1.049 4.151
129 HG2 ARG 18 HG2 ARG 18 10.387 -0.770 6.253
130 HG3 ARG 18 HG1 ARG 18 9.137 0.439 6.549
131 HD2 ARG 18 HD2 ARG 18 8.310 -2.410 6.471
132 HD3 ARG 18 HD1 ARG 18 9.235 -1.868 7.871
133 HE ARG 18 HE ARG 18 7.060 -0.119 7.275
134 HH11 ARG 18 HH11 ARG 18 7.888 -3.142 8.810
135 HH12 ARG 18 HH12 ARG 18 6.540 -3.104 9.896
136 HH21 ARG 18 HH21 ARG 18 5.287 -0.067 8.703
137 HH22 ARG 18 HH22 ARG 18 5.062 -1.358 9.835
138 H THR 19 HN THR 19 8.859 -0.414 1.977
139 HA THR 19 HA THR 19 11.230 1.185 1.349
140 HB THR 19 HB THR 19 11.773 -1.031 1.875
141 HG1 THR 19 HG1 THR 19 12.648 -0.172 -0.177
142 HG21 THR 19 HG21 THR 19 10.795 -2.978 0.747
143 HG22 THR 19 HG22 THR 19 9.596 -1.910 0.012
144 HG23 THR 19 HG23 THR 19 9.662 -2.086 1.770
145 H SER 20 HN SER 20 8.218 -0.062 0.034
146 HA SER 20 HA SER 20 8.838 1.045 -2.602
147 HB2 SER 20 HB2 SER 20 6.255 -0.325 -1.929
148 HB3 SER 20 HB1 SER 20 7.119 -0.271 -3.465
149 HG SER 20 HG SER 20 8.522 -1.776 -2.747
150 H MET 21 HN MET 21 8.361 3.102 -2.976
151 HA MET 21 HA MET 21 6.466 4.543 -1.362
152 HB2 MET 21 HB2 MET 21 8.525 5.188 -3.350
153 HB3 MET 21 HB1 MET 21 7.118 6.239 -3.415
154 HG2 MET 21 HG2 MET 21 8.243 7.409 -1.876
155 HG3 MET 21 HG1 MET 21 7.565 6.221 -0.765
156 HE1 MET 21 HE1 MET 21 11.650 7.334 -0.507
157 HE2 MET 21 HE2 MET 21 10.079 8.134 -0.454
158 HE3 MET 21 HE3 MET 21 10.871 7.846 -2.004
159 H LYS 22 HN LYS 22 6.457 3.038 -4.503
160 HA LYS 22 HA LYS 22 4.256 4.432 -5.607
161 HB2 LYS 22 HB2 LYS 22 5.912 3.102 -6.906
162 HB3 LYS 22 HB1 LYS 22 5.193 1.635 -6.257
163 HG2 LYS 22 HG2 LYS 22 3.235 3.405 -7.476
164 HG3 LYS 22 HG1 LYS 22 4.492 2.888 -8.599
165 HD2 LYS 22 HD2 LYS 22 3.921 0.550 -7.349
166 HD3 LYS 22 HD1 LYS 22 2.344 1.342 -7.312
167 HE2 LYS 22 HE2 LYS 22 2.098 0.507 -9.377
168 HE3 LYS 22 HE1 LYS 22 3.154 1.830 -9.870
169 HZ1 LYS 22 HZ1 LYS 22 4.369 -0.686 -8.975
170 HZ2 LYS 22 HZ2 LYS 22 4.939 0.444 -10.098
171 HZ3 LYS 22 HZ3 LYS 22 3.695 -0.619 -10.526
172 H TYR 23 HN TYR 23 4.471 1.433 -3.749
173 HA TYR 23 HA TYR 23 1.770 0.660 -4.051
174 HB2 TYR 23 HB2 TYR 23 3.923 -0.044 -2.084
175 HB3 TYR 23 HB1 TYR 23 2.292 -0.683 -1.917
176 HD1 TYR 23 HD1 TYR 23 4.498 -0.156 -4.882
177 HD2 TYR 23 HD2 TYR 23 2.292 -2.902 -2.504
178 HE1 TYR 23 HE1 TYR 23 5.058 -1.963 -6.458
179 HE2 TYR 23 HE2 TYR 23 2.844 -4.715 -4.063
180 HH TYR 23 HH TYR 23 3.498 -4.948 -6.462
181 H ARG 24 HN ARG 24 3.306 2.940 -1.981
182 HA ARG 24 HA ARG 24 1.296 2.946 0.056
183 HB2 ARG 24 HB2 ARG 24 2.945 5.365 -0.235
184 HB3 ARG 24 HB1 ARG 24 2.653 4.369 1.177
185 HG2 ARG 24 HG2 ARG 24 4.222 2.681 0.136
186 HG3 ARG 24 HG1 ARG 24 4.649 3.942 -1.018
187 HD2 ARG 24 HD2 ARG 24 5.316 5.403 0.826
188 HD3 ARG 24 HD1 ARG 24 4.906 4.134 1.979
189 HE ARG 24 HE ARG 24 6.671 2.834 0.537
190 HH11 ARG 24 HH11 ARG 24 6.804 6.154 1.640
191 HH12 ARG 24 HH12 ARG 24 8.533 6.199 1.680
192 HH21 ARG 24 HH21 ARG 24 8.944 2.904 0.602
193 HH22 ARG 24 HH22 ARG 24 9.747 4.357 1.092
194 H LEU 25 HN LEU 25 2.201 5.474 -2.282
195 HA LEU 25 HA LEU 25 -0.384 6.745 -1.859
196 HB2 LEU 25 HB2 LEU 25 1.861 7.704 -3.614
197 HB3 LEU 25 HB1 LEU 25 0.550 8.649 -2.927
198 HG LEU 25 HG LEU 25 2.259 9.276 -1.536
199 HD11 LEU 25 HD11 LEU 25 1.656 8.580 0.515
200 HD12 LEU 25 HD12 LEU 25 1.887 6.876 0.128
201 HD13 LEU 25 HD13 LEU 25 0.405 7.700 -0.359
202 HD21 LEU 25 HD21 LEU 25 4.240 8.326 -1.815
203 HD22 LEU 25 HD22 LEU 25 3.501 6.892 -2.523
204 HD23 LEU 25 HD23 LEU 25 3.719 7.000 -0.776
205 H ASN 26 HN ASN 26 1.485 5.375 -4.541
206 HA ASN 26 HA ASN 26 -0.445 6.030 -6.518
207 HB2 ASN 26 HB2 ASN 26 2.125 5.324 -6.620
208 HB3 ASN 26 HB1 ASN 26 1.402 3.750 -6.957
209 HD21 ASN 26 HD21 ASN 26 2.311 6.729 -8.228
210 HD22 ASN 26 HD22 ASN 26 1.588 6.570 -9.788
211 H LEU 27 HN LEU 27 0.150 3.135 -4.580
212 HA LEU 27 HA LEU 27 -2.094 1.787 -5.869
213 HB2 LEU 27 HB2 LEU 27 0.299 0.841 -5.089
214 HB3 LEU 27 HB1 LEU 27 -0.623 0.504 -3.641
215 HG LEU 27 HG LEU 27 -2.297 -0.651 -5.231
216 HD11 LEU 27 HD11 LEU 27 -1.761 -0.273 -7.387
217 HD12 LEU 27 HD12 LEU 27 -0.679 -1.644 -7.142
218 HD13 LEU 27 HD13 LEU 27 -0.056 0.002 -7.028
219 HD21 LEU 27 HD21 LEU 27 -1.409 -2.344 -4.093
220 HD22 LEU 27 HD22 LEU 27 0.153 -1.532 -3.983
221 HD23 LEU 27 HD23 LEU 27 -0.232 -2.515 -5.395
222 H CYS 28 HN CYS 28 -2.109 0.438 -2.893
223 HA CYS 28 HA CYS 28 -4.489 1.812 -2.104
224 HB2 CYS 28 HB2 CYS 28 -4.401 0.305 -0.173
225 HB3 CYS 28 HB1 CYS 28 -4.116 -0.581 -1.674
226 H LYS 29 HN LYS 29 -4.811 3.089 -0.319
227 HA LYS 29 HA LYS 29 -2.555 4.684 0.503
228 HB2 LYS 29 HB2 LYS 29 -5.486 4.875 1.210
229 HB3 LYS 29 HB1 LYS 29 -4.255 6.039 1.687
230 HG2 LYS 29 HG2 LYS 29 -4.088 5.660 -1.128
231 HG3 LYS 29 HG1 LYS 29 -5.775 5.955 -0.698
232 HD2 LYS 29 HD2 LYS 29 -5.302 8.127 -0.590
233 HD3 LYS 29 HD1 LYS 29 -4.283 7.787 0.810
234 HE2 LYS 29 HE2 LYS 29 -2.698 8.743 -0.491
235 HE3 LYS 29 HE1 LYS 29 -2.582 7.109 -1.143
236 HZ1 LYS 29 HZ1 LYS 29 -2.775 8.987 -2.800
237 HZ2 LYS 29 HZ2 LYS 29 -4.387 9.142 -2.312
238 HZ3 LYS 29 HZ3 LYS 29 -3.849 7.696 -3.006
239 H LYS 30 HN LYS 30 -5.118 2.908 2.181
240 HA LYS 30 HA LYS 30 -3.674 2.973 4.658
241 HB2 LYS 30 HB2 LYS 30 -6.051 3.220 4.726
242 HB3 LYS 30 HB1 LYS 30 -6.283 1.702 3.866
243 HG2 LYS 30 HG2 LYS 30 -6.721 1.104 6.046
244 HG3 LYS 30 HG1 LYS 30 -5.020 0.661 5.869
245 HD2 LYS 30 HD2 LYS 30 -4.302 2.308 7.249
246 HD3 LYS 30 HD1 LYS 30 -5.599 3.411 6.784
247 HE2 LYS 30 HE2 LYS 30 -6.495 2.932 8.777
248 HE3 LYS 30 HE1 LYS 30 -6.960 1.395 8.049
249 HZ1 LYS 30 HZ1 LYS 30 -5.289 0.282 9.106
250 HZ2 LYS 30 HZ2 LYS 30 -5.610 1.471 10.265
251 HZ3 LYS 30 HZ3 LYS 30 -4.285 1.639 9.227
252 H THR 31 HN THR 31 -4.911 0.232 2.682
253 HA THR 31 HA THR 31 -3.926 -1.797 4.210
254 HB THR 31 HB THR 31 -4.010 -1.766 1.197
255 HG1 THR 31 HG1 THR 31 -6.056 -2.864 1.701
256 HG21 THR 31 HG21 THR 31 -2.732 -3.660 2.299
257 HG22 THR 31 HG22 THR 31 -4.068 -4.102 1.234
258 HG23 THR 31 HG23 THR 31 -4.279 -4.152 2.982
259 H CYS 32 HN CYS 32 -2.040 0.231 2.093
260 HA CYS 32 HA CYS 32 0.256 -1.500 2.101
261 HB2 CYS 32 HB2 CYS 32 0.162 0.023 0.287
262 HB3 CYS 32 HB1 CYS 32 -0.087 1.404 1.349
263 H GLY 33 HN GLY 33 -1.118 0.565 4.370
264 HA2 GLY 33 HA2 GLY 33 -0.464 0.794 6.600
265 HA3 GLY 33 HA1 GLY 33 1.105 0.125 6.184
266 H THR 34 HN THR 34 -0.734 2.995 5.108
267 HA THR 34 HA THR 34 1.423 4.690 6.123
268 HB THR 34 HB THR 34 2.150 4.499 3.893
269 HG1 THR 34 HG1 THR 34 2.217 6.555 3.536
270 HG21 THR 34 HG21 THR 34 0.874 4.541 1.951
271 HG22 THR 34 HG22 THR 34 -0.545 5.161 2.792
272 HG23 THR 34 HG23 THR 34 -0.022 3.496 3.052
273 H CYS 35 HN CYS 35 -1.844 4.417 4.839
274 HA CYS 35 HA CYS 35 -2.776 6.986 5.052
275 HB2 CYS 35 HB2 CYS 35 -4.162 5.164 4.218
276 HB3 CYS 35 HB1 CYS 35 -4.226 4.447 5.824
Start of MODEL 17
1 H1 ALA 2 HT1 ALA 2 -11.426 9.349 4.354
2 H2 ALA 2 HT2 ALA 2 -10.077 8.353 4.722
3 H3 ALA 2 HT3 ALA 2 -11.306 8.605 5.894
4 HA ALA 2 HA ALA 2 -11.816 6.568 5.129
5 HB1 ALA 2 HB1 ALA 2 -13.901 6.823 4.227
6 HB2 ALA 2 HB2 ALA 2 -13.370 8.035 3.060
7 HB3 ALA 2 HB3 ALA 2 -13.591 8.478 4.753
8 H CYS 3 HN CYS 3 -9.430 6.564 4.087
9 HA CYS 3 HA CYS 3 -9.360 6.497 1.228
10 HB2 CYS 3 HB2 CYS 3 -7.082 5.697 1.491
11 HB3 CYS 3 HB1 CYS 3 -7.372 7.021 2.613
12 H LYS 4 HN LYS 4 -8.001 4.242 0.543
13 HA LYS 4 HA LYS 4 -9.302 1.878 1.530
14 HB2 LYS 4 HB2 LYS 4 -10.228 3.210 -0.961
15 HB3 LYS 4 HB1 LYS 4 -10.074 1.458 -0.998
16 HG2 LYS 4 HG2 LYS 4 -11.412 1.856 1.346
17 HG3 LYS 4 HG1 LYS 4 -12.053 3.148 0.329
18 HD2 LYS 4 HD2 LYS 4 -12.201 1.165 -1.432
19 HD3 LYS 4 HD1 LYS 4 -12.292 0.200 0.043
20 HE2 LYS 4 HE2 LYS 4 -14.511 0.631 -0.277
21 HE3 LYS 4 HE1 LYS 4 -14.075 2.023 0.713
22 HZ1 LYS 4 HZ1 LYS 4 -15.158 3.055 -0.982
23 HZ2 LYS 4 HZ2 LYS 4 -14.723 1.900 -2.138
24 HZ3 LYS 4 HZ3 LYS 4 -13.597 3.058 -1.636
25 H ASP 5 HN ASP 5 -8.846 0.042 -0.235
26 HA ASP 5 HA ASP 5 -5.986 0.239 -0.815
27 HB2 ASP 5 HB2 ASP 5 -5.934 -2.194 -0.603
28 HB3 ASP 5 HB1 ASP 5 -6.638 -1.466 0.834
29 H TYR 6 HN TYR 6 -5.365 0.244 -2.841
30 HA TYR 6 HA TYR 6 -7.221 0.002 -5.001
31 HB2 TYR 6 HB2 TYR 6 -4.895 1.344 -4.697
32 HB3 TYR 6 HB1 TYR 6 -4.314 -0.058 -5.592
33 HD1 TYR 6 HD1 TYR 6 -5.517 -0.618 -7.796
34 HD2 TYR 6 HD2 TYR 6 -5.908 3.125 -5.813
35 HE1 TYR 6 HE1 TYR 6 -6.289 0.406 -9.894
36 HE2 TYR 6 HE2 TYR 6 -6.682 4.160 -7.905
37 HH TYR 6 HH TYR 6 -7.762 3.428 -10.032
38 H LEU 7 HN LEU 7 -5.647 -2.304 -3.200
39 HA LEU 7 HA LEU 7 -6.177 -4.363 -5.165
40 HB2 LEU 7 HB2 LEU 7 -3.429 -3.601 -4.282
41 HB3 LEU 7 HB1 LEU 7 -3.780 -5.272 -4.608
42 HG LEU 7 HG LEU 7 -4.506 -3.315 -6.711
43 HD11 LEU 7 HD11 LEU 7 -2.455 -2.399 -6.619
44 HD12 LEU 7 HD12 LEU 7 -1.969 -3.892 -7.425
45 HD13 LEU 7 HD13 LEU 7 -1.790 -3.733 -5.677
46 HD21 LEU 7 HD21 LEU 7 -3.128 -5.483 -7.758
47 HD22 LEU 7 HD22 LEU 7 -4.879 -5.279 -7.696
48 HD23 LEU 7 HD23 LEU 7 -4.048 -6.160 -6.414
49 HA PRO 8 HA PRO 8 -6.910 -7.105 -1.794
50 HB2 PRO 8 HB2 PRO 8 -4.554 -8.763 -2.534
51 HB3 PRO 8 HB1 PRO 8 -6.236 -9.244 -2.263
52 HG2 PRO 8 HG2 PRO 8 -5.350 -9.094 -4.702
53 HG3 PRO 8 HG1 PRO 8 -6.935 -8.398 -4.303
54 HD2 PRO 8 HD2 PRO 8 -4.296 -6.989 -4.659
55 HD3 PRO 8 HD1 PRO 8 -5.880 -6.552 -5.331
56 H LYS 9 HN LYS 9 -6.100 -8.089 0.089
57 HA LYS 9 HA LYS 9 -4.538 -6.342 1.643
58 HB2 LYS 9 HB2 LYS 9 -5.133 -9.247 2.225
59 HB3 LYS 9 HB1 LYS 9 -4.674 -8.019 3.395
60 HG2 LYS 9 HG2 LYS 9 -7.122 -7.632 1.736
61 HG3 LYS 9 HG1 LYS 9 -7.165 -8.712 3.131
62 HD2 LYS 9 HD2 LYS 9 -5.979 -6.605 4.268
63 HD3 LYS 9 HD1 LYS 9 -6.889 -5.764 3.011
64 HE2 LYS 9 HE2 LYS 9 -8.758 -7.491 3.991
65 HE3 LYS 9 HE1 LYS 9 -7.825 -7.116 5.439
66 HZ1 LYS 9 HZ1 LYS 9 -8.466 -4.953 5.407
67 HZ2 LYS 9 HZ2 LYS 9 -9.827 -5.623 4.658
68 HZ3 LYS 9 HZ3 LYS 9 -8.623 -4.887 3.724
69 H SER 10 HN SER 10 -3.625 -8.877 -0.481
70 HA SER 10 HA SER 10 -1.051 -9.339 0.750
71 HB2 SER 10 HB2 SER 10 -2.142 -10.315 -1.897
72 HB3 SER 10 HB1 SER 10 -0.674 -10.890 -1.107
73 HG SER 10 HG SER 10 -1.890 -11.796 0.493
74 H GLU 11 HN GLU 11 -2.283 -7.674 -2.145
75 HA GLU 11 HA GLU 11 0.180 -7.100 -3.333
76 HB2 GLU 11 HB2 GLU 11 -2.577 -6.258 -3.587
77 HB3 GLU 11 HB1 GLU 11 -1.474 -4.911 -3.866
78 HG2 GLU 11 HG2 GLU 11 -0.948 -7.512 -5.220
79 HG3 GLU 11 HG1 GLU 11 -2.262 -6.496 -5.807
80 H CYS 12 HN CYS 12 -1.639 -5.383 -0.880
81 HA CYS 12 HA CYS 12 0.548 -3.437 -0.701
82 HB2 CYS 12 HB2 CYS 12 -1.464 -2.502 0.977
83 HB3 CYS 12 HB1 CYS 12 -1.104 -1.947 -0.655
84 H THR 13 HN THR 13 2.029 -4.232 0.553
85 HA THR 13 HA THR 13 1.242 -5.406 3.134
86 HB THR 13 HB THR 13 3.638 -6.362 3.002
87 HG1 THR 13 HG1 THR 13 4.726 -6.050 1.244
88 HG21 THR 13 HG21 THR 13 2.997 -8.258 1.783
89 HG22 THR 13 HG22 THR 13 1.879 -7.339 0.772
90 HG23 THR 13 HG23 THR 13 1.495 -7.639 2.469
91 H GLN 14 HN GLN 14 2.398 -4.789 5.014
92 HA GLN 14 HA GLN 14 2.983 -2.116 5.344
93 HB2 GLN 14 HB2 GLN 14 4.375 -4.323 6.868
94 HB3 GLN 14 HB1 GLN 14 4.012 -2.697 7.432
95 HG2 GLN 14 HG2 GLN 14 2.086 -4.951 6.940
96 HG3 GLN 14 HG1 GLN 14 2.470 -4.162 8.469
97 HE21 GLN 14 HE21 GLN 14 0.458 -4.174 5.732
98 HE22 GLN 14 HE22 GLN 14 -0.424 -2.730 6.078
99 H PHE 15 HN PHE 15 4.871 -4.648 3.998
100 HA PHE 15 HA PHE 15 7.438 -3.489 4.104
101 HB2 PHE 15 HB2 PHE 15 6.102 -5.753 2.803
102 HB3 PHE 15 HB1 PHE 15 7.421 -5.088 1.860
103 HD1 PHE 15 HD1 PHE 15 9.649 -4.685 3.218
104 HD2 PHE 15 HD2 PHE 15 6.545 -7.358 4.372
105 HE1 PHE 15 HE1 PHE 15 11.247 -5.934 4.610
106 HE2 PHE 15 HE2 PHE 15 8.137 -8.612 5.766
107 HZ PHE 15 HZ PHE 15 10.491 -7.900 5.888
108 H ARG 16 HN ARG 16 5.062 -3.683 1.435
109 HA ARG 16 HA ARG 16 6.377 -2.160 -0.456
110 HB2 ARG 16 HB2 ARG 16 3.402 -2.193 0.083
111 HB3 ARG 16 HB1 ARG 16 4.164 -1.665 -1.407
112 HG2 ARG 16 HG2 ARG 16 4.488 -4.434 -0.321
113 HG3 ARG 16 HG1 ARG 16 3.173 -3.975 -1.402
114 HD2 ARG 16 HD2 ARG 16 4.665 -4.664 -2.971
115 HD3 ARG 16 HD1 ARG 16 5.222 -3.000 -2.803
116 HE ARG 16 HE ARG 16 6.550 -4.700 -0.963
117 HH11 ARG 16 HH11 ARG 16 6.469 -3.826 -4.341
118 HH12 ARG 16 HH12 ARG 16 8.130 -4.234 -4.614
119 HH21 ARG 16 HH21 ARG 16 8.734 -5.236 -1.321
120 HH22 ARG 16 HH22 ARG 16 9.416 -5.035 -2.901
121 H CYS 17 HN CYS 17 4.063 -0.987 1.979
122 HA CYS 17 HA CYS 17 4.364 1.729 1.297
123 HB2 CYS 17 HB2 CYS 17 2.703 0.308 2.946
124 HB3 CYS 17 HB1 CYS 17 3.667 1.225 4.088
125 H ARG 18 HN ARG 18 6.496 -0.393 2.802
126 HA ARG 18 HA ARG 18 7.812 1.548 4.490
127 HB2 ARG 18 HB2 ARG 18 7.706 -1.245 4.381
128 HB3 ARG 18 HB1 ARG 18 9.369 -0.822 3.939
129 HG2 ARG 18 HG2 ARG 18 7.917 0.047 6.448
130 HG3 ARG 18 HG1 ARG 18 9.135 -1.226 6.337
131 HD2 ARG 18 HD2 ARG 18 10.703 0.532 5.422
132 HD3 ARG 18 HD1 ARG 18 9.495 1.729 5.890
133 HE ARG 18 HE ARG 18 9.952 0.221 8.143
134 HH11 ARG 18 HH11 ARG 18 11.877 2.204 6.013
135 HH12 ARG 18 HH12 ARG 18 12.997 2.666 7.250
136 HH21 ARG 18 HH21 ARG 18 11.426 0.827 9.773
137 HH22 ARG 18 HH22 ARG 18 12.742 1.884 9.384
138 H THR 19 HN THR 19 8.583 -0.355 1.686
139 HA THR 19 HA THR 19 10.856 1.405 1.129
140 HB THR 19 HB THR 19 11.508 -0.762 1.777
141 HG1 THR 19 HG1 THR 19 12.711 -0.097 0.008
142 HG21 THR 19 HG21 THR 19 10.760 -2.794 0.635
143 HG22 THR 19 HG22 THR 19 9.569 -1.832 -0.244
144 HG23 THR 19 HG23 THR 19 9.478 -1.956 1.517
145 H SER 20 HN SER 20 8.034 -0.126 -0.300
146 HA SER 20 HA SER 20 8.728 0.768 -2.971
147 HB2 SER 20 HB2 SER 20 7.595 -1.394 -2.665
148 HB3 SER 20 HB1 SER 20 6.211 -0.568 -1.950
149 HG SER 20 HG SER 20 6.385 -1.125 -4.398
150 H MET 21 HN MET 21 8.790 3.038 -2.627
151 HA MET 21 HA MET 21 6.919 4.685 -1.505
152 HB2 MET 21 HB2 MET 21 8.963 4.967 -3.587
153 HB3 MET 21 HB1 MET 21 7.664 6.145 -3.704
154 HG2 MET 21 HG2 MET 21 8.489 7.318 -2.025
155 HG3 MET 21 HG1 MET 21 8.522 5.899 -0.980
156 HE1 MET 21 HE1 MET 21 11.903 6.522 -0.022
157 HE2 MET 21 HE2 MET 21 11.275 4.885 -0.205
158 HE3 MET 21 HE3 MET 21 10.206 6.185 0.320
159 H LYS 22 HN LYS 22 6.863 3.469 -4.852
160 HA LYS 22 HA LYS 22 4.601 4.854 -5.708
161 HB2 LYS 22 HB2 LYS 22 6.119 3.589 -7.196
162 HB3 LYS 22 HB1 LYS 22 5.483 2.086 -6.544
163 HG2 LYS 22 HG2 LYS 22 3.376 3.824 -7.508
164 HG3 LYS 22 HG1 LYS 22 4.560 3.453 -8.763
165 HD2 LYS 22 HD2 LYS 22 4.018 1.052 -7.353
166 HD3 LYS 22 HD1 LYS 22 2.470 1.809 -7.731
167 HE2 LYS 22 HE2 LYS 22 3.762 2.126 -10.082
168 HE3 LYS 22 HE1 LYS 22 4.493 0.624 -9.516
169 HZ1 LYS 22 HZ1 LYS 22 1.602 0.797 -9.290
170 HZ2 LYS 22 HZ2 LYS 22 2.576 -0.503 -9.760
171 HZ3 LYS 22 HZ3 LYS 22 2.212 0.722 -10.867
172 H TYR 23 HN TYR 23 4.759 1.496 -4.536
173 HA TYR 23 HA TYR 23 2.085 0.880 -4.533
174 HB2 TYR 23 HB2 TYR 23 4.384 0.001 -2.836
175 HB3 TYR 23 HB1 TYR 23 2.761 -0.554 -2.441
176 HD1 TYR 23 HD1 TYR 23 4.421 -0.018 -5.727
177 HD2 TYR 23 HD2 TYR 23 2.650 -2.782 -3.032
178 HE1 TYR 23 HE1 TYR 23 4.628 -1.792 -7.424
179 HE2 TYR 23 HE2 TYR 23 2.850 -4.567 -4.710
180 HH TYR 23 HH TYR 23 4.524 -4.921 -6.830
181 H ARG 24 HN ARG 24 3.915 2.396 -1.912
182 HA ARG 24 HA ARG 24 2.113 2.443 0.116
183 HB2 ARG 24 HB2 ARG 24 3.448 5.044 -0.421
184 HB3 ARG 24 HB1 ARG 24 3.313 4.156 1.079
185 HG2 ARG 24 HG2 ARG 24 4.975 2.518 0.050
186 HG3 ARG 24 HG1 ARG 24 5.244 3.766 -1.161
187 HD2 ARG 24 HD2 ARG 24 5.914 5.341 0.509
188 HD3 ARG 24 HD1 ARG 24 5.474 4.228 1.800
189 HE ARG 24 HE ARG 24 7.339 2.834 0.446
190 HH11 ARG 24 HH11 ARG 24 7.267 6.095 1.704
191 HH12 ARG 24 HH12 ARG 24 8.977 6.170 1.964
192 HH21 ARG 24 HH21 ARG 24 9.599 2.943 0.791
193 HH22 ARG 24 HH22 ARG 24 10.298 4.380 1.452
194 H LEU 25 HN LEU 25 2.402 5.160 -2.149
195 HA LEU 25 HA LEU 25 -0.239 6.101 -1.364
196 HB2 LEU 25 HB2 LEU 25 1.689 7.410 -3.256
197 HB3 LEU 25 HB1 LEU 25 0.374 8.160 -2.364
198 HG LEU 25 HG LEU 25 2.116 8.858 -1.074
199 HD11 LEU 25 HD11 LEU 25 0.617 7.195 0.225
200 HD12 LEU 25 HD12 LEU 25 2.124 7.738 0.959
201 HD13 LEU 25 HD13 LEU 25 2.036 6.148 0.204
202 HD21 LEU 25 HD21 LEU 25 3.993 6.868 -0.694
203 HD22 LEU 25 HD22 LEU 25 4.123 8.235 -1.800
204 HD23 LEU 25 HD23 LEU 25 3.519 6.685 -2.383
205 H ASN 26 HN ASN 26 1.443 5.025 -4.257
206 HA ASN 26 HA ASN 26 -0.640 5.690 -6.054
207 HB2 ASN 26 HB2 ASN 26 1.893 5.190 -6.434
208 HB3 ASN 26 HB1 ASN 26 1.338 3.528 -6.637
209 HD21 ASN 26 HD21 ASN 26 0.900 6.821 -7.809
210 HD22 ASN 26 HD22 ASN 26 0.404 6.381 -9.405
211 H LEU 27 HN LEU 27 0.142 2.697 -4.315
212 HA LEU 27 HA LEU 27 -2.116 1.390 -5.619
213 HB2 LEU 27 HB2 LEU 27 0.233 0.456 -4.095
214 HB3 LEU 27 HB1 LEU 27 -1.237 -0.472 -3.873
215 HG LEU 27 HG LEU 27 -1.360 -0.596 -6.420
216 HD11 LEU 27 HD11 LEU 27 1.579 -0.016 -6.240
217 HD12 LEU 27 HD12 LEU 27 0.395 1.216 -6.675
218 HD13 LEU 27 HD13 LEU 27 0.583 -0.220 -7.681
219 HD21 LEU 27 HD21 LEU 27 0.991 -1.992 -5.178
220 HD22 LEU 27 HD22 LEU 27 -0.089 -2.577 -6.444
221 HD23 LEU 27 HD23 LEU 27 -0.681 -2.402 -4.791
222 H CYS 28 HN CYS 28 -1.687 0.217 -2.421
223 HA CYS 28 HA CYS 28 -4.277 1.339 -1.731
224 HB2 CYS 28 HB2 CYS 28 -2.593 -0.471 -0.012
225 HB3 CYS 28 HB1 CYS 28 -4.340 -0.258 0.018
226 H LYS 29 HN LYS 29 -4.698 2.624 0.018
227 HA LYS 29 HA LYS 29 -2.528 4.333 0.850
228 HB2 LYS 29 HB2 LYS 29 -5.506 4.407 1.141
229 HB3 LYS 29 HB1 LYS 29 -4.501 5.435 2.155
230 HG2 LYS 29 HG2 LYS 29 -4.065 5.435 -0.792
231 HG3 LYS 29 HG1 LYS 29 -5.442 6.311 -0.118
232 HD2 LYS 29 HD2 LYS 29 -2.621 6.679 0.866
233 HD3 LYS 29 HD1 LYS 29 -3.321 7.651 -0.430
234 HE2 LYS 29 HE2 LYS 29 -5.250 7.960 1.367
235 HE3 LYS 29 HE1 LYS 29 -3.922 7.631 2.479
236 HZ1 LYS 29 HZ1 LYS 29 -4.407 9.951 0.810
237 HZ2 LYS 29 HZ2 LYS 29 -2.800 9.426 0.860
238 HZ3 LYS 29 HZ3 LYS 29 -3.601 9.831 2.293
239 H LYS 30 HN LYS 30 -5.063 2.540 2.553
240 HA LYS 30 HA LYS 30 -3.636 2.722 5.045
241 HB2 LYS 30 HB2 LYS 30 -6.011 2.914 5.130
242 HB3 LYS 30 HB1 LYS 30 -6.222 1.405 4.251
243 HG2 LYS 30 HG2 LYS 30 -6.677 0.801 6.433
244 HG3 LYS 30 HG1 LYS 30 -4.985 0.334 6.239
245 HD2 LYS 30 HD2 LYS 30 -4.218 2.043 7.567
246 HD3 LYS 30 HD1 LYS 30 -5.624 3.061 7.253
247 HE2 LYS 30 HE2 LYS 30 -6.731 2.245 9.016
248 HE3 LYS 30 HE1 LYS 30 -6.321 0.581 8.602
249 HZ1 LYS 30 HZ1 LYS 30 -4.357 2.398 9.861
250 HZ2 LYS 30 HZ2 LYS 30 -4.324 0.709 9.778
251 HZ3 LYS 30 HZ3 LYS 30 -5.441 1.484 10.784
252 H THR 31 HN THR 31 -4.789 -0.007 3.063
253 HA THR 31 HA THR 31 -3.866 -2.085 4.530
254 HB THR 31 HB THR 31 -3.758 -1.886 1.524
255 HG1 THR 31 HG1 THR 31 -5.827 -1.558 2.661
256 HG21 THR 31 HG21 THR 31 -2.576 -3.814 1.931
257 HG22 THR 31 HG22 THR 31 -4.231 -4.406 1.805
258 HG23 THR 31 HG23 THR 31 -3.486 -4.193 3.391
259 H CYS 32 HN CYS 32 -1.863 0.024 2.554
260 HA CYS 32 HA CYS 32 0.448 -1.699 2.792
261 HB2 CYS 32 HB2 CYS 32 1.693 -0.006 1.658
262 HB3 CYS 32 HB1 CYS 32 0.112 -0.051 0.903
263 H GLY 33 HN GLY 33 -1.074 0.552 4.810
264 HA2 GLY 33 HA2 GLY 33 -0.547 0.869 7.076
265 HA3 GLY 33 HA1 GLY 33 1.067 0.255 6.764
266 H THR 34 HN THR 34 -0.992 3.044 5.936
267 HA THR 34 HA THR 34 1.024 4.878 6.863
268 HB THR 34 HB THR 34 1.917 4.548 4.640
269 HG1 THR 34 HG1 THR 34 1.914 6.636 4.003
270 HG21 THR 34 HG21 THR 34 0.741 4.779 2.636
271 HG22 THR 34 HG22 THR 34 -0.688 5.415 3.454
272 HG23 THR 34 HG23 THR 34 -0.238 3.722 3.649
273 H CYS 35 HN CYS 35 -2.070 4.324 5.276
274 HA CYS 35 HA CYS 35 -3.172 6.858 5.373
275 HB2 CYS 35 HB2 CYS 35 -4.131 4.632 4.441
276 HB3 CYS 35 HB1 CYS 35 -4.812 4.435 6.052
Start of MODEL 18
1 H1 ALA 2 HT1 ALA 2 -11.496 10.909 2.034
2 H2 ALA 2 HT2 ALA 2 -9.852 10.565 2.384
3 H3 ALA 2 HT3 ALA 2 -11.094 9.950 3.396
4 HA ALA 2 HA ALA 2 -11.792 8.439 1.870
5 HB1 ALA 2 HB1 ALA 2 -11.865 10.044 -0.009
6 HB2 ALA 2 HB2 ALA 2 -11.205 8.474 -0.468
7 HB3 ALA 2 HB3 ALA 2 -10.125 9.844 -0.212
8 H CYS 3 HN CYS 3 -10.850 6.596 2.411
9 HA CYS 3 HA CYS 3 -8.034 6.166 1.816
10 HB2 CYS 3 HB2 CYS 3 -7.953 7.038 4.086
11 HB3 CYS 3 HB1 CYS 3 -9.175 5.881 4.604
12 H LYS 4 HN LYS 4 -7.993 4.340 0.706
13 HA LYS 4 HA LYS 4 -9.355 1.984 1.724
14 HB2 LYS 4 HB2 LYS 4 -10.093 3.380 -0.807
15 HB3 LYS 4 HB1 LYS 4 -10.106 1.622 -0.799
16 HG2 LYS 4 HG2 LYS 4 -11.597 3.308 1.196
17 HG3 LYS 4 HG1 LYS 4 -12.302 2.700 -0.304
18 HD2 LYS 4 HD2 LYS 4 -12.288 0.516 0.418
19 HD3 LYS 4 HD1 LYS 4 -10.953 0.784 1.540
20 HE2 LYS 4 HE2 LYS 4 -12.826 0.503 2.915
21 HE3 LYS 4 HE1 LYS 4 -12.580 2.248 2.853
22 HZ1 LYS 4 HZ1 LYS 4 -14.726 0.631 1.702
23 HZ2 LYS 4 HZ2 LYS 4 -14.242 2.006 0.845
24 HZ3 LYS 4 HZ3 LYS 4 -14.795 2.154 2.436
25 H ASP 5 HN ASP 5 -8.944 0.185 -0.193
26 HA ASP 5 HA ASP 5 -6.065 0.342 -0.713
27 HB2 ASP 5 HB2 ASP 5 -5.958 -2.080 -0.390
28 HB3 ASP 5 HB1 ASP 5 -6.612 -1.282 1.035
29 H TYR 6 HN TYR 6 -5.461 0.265 -2.727
30 HA TYR 6 HA TYR 6 -7.337 -0.189 -4.844
31 HB2 TYR 6 HB2 TYR 6 -4.993 1.238 -4.598
32 HB3 TYR 6 HB1 TYR 6 -4.504 -0.126 -5.598
33 HD1 TYR 6 HD2 TYR 6 -5.855 -0.594 -7.712
34 HD2 TYR 6 HD1 TYR 6 -6.155 3.044 -5.528
35 HE1 TYR 6 HE2 TYR 6 -6.821 0.506 -9.688
36 HE2 TYR 6 HE1 TYR 6 -7.122 4.155 -7.497
37 HH TYR 6 HH TYR 6 -8.442 3.356 -9.597
38 H LEU 7 HN LEU 7 -5.561 -2.286 -2.944
39 HA LEU 7 HA LEU 7 -5.961 -4.444 -4.858
40 HB2 LEU 7 HB2 LEU 7 -3.306 -3.532 -3.859
41 HB3 LEU 7 HB1 LEU 7 -3.557 -5.232 -4.082
42 HG LEU 7 HG LEU 7 -4.271 -3.430 -6.327
43 HD11 LEU 7 HD11 LEU 7 -1.786 -3.899 -7.042
44 HD12 LEU 7 HD12 LEU 7 -1.529 -3.927 -5.298
45 HD13 LEU 7 HD13 LEU 7 -2.204 -2.490 -6.066
46 HD21 LEU 7 HD21 LEU 7 -3.641 -6.258 -5.892
47 HD22 LEU 7 HD22 LEU 7 -2.947 -5.557 -7.350
48 HD23 LEU 7 HD23 LEU 7 -4.689 -5.497 -7.085
49 HA PRO 8 HA PRO 8 -6.695 -6.760 -1.173
50 HB2 PRO 8 HB2 PRO 8 -5.904 -9.237 -1.690
51 HB3 PRO 8 HB1 PRO 8 -7.180 -8.475 -2.651
52 HG2 PRO 8 HG2 PRO 8 -4.306 -8.882 -3.287
53 HG3 PRO 8 HG1 PRO 8 -5.722 -9.042 -4.338
54 HD2 PRO 8 HD2 PRO 8 -4.047 -6.833 -4.208
55 HD3 PRO 8 HD1 PRO 8 -5.665 -6.804 -4.895
56 H LYS 9 HN LYS 9 -5.815 -8.080 0.546
57 HA LYS 9 HA LYS 9 -3.623 -6.937 1.772
58 HB2 LYS 9 HB2 LYS 9 -4.580 -9.749 2.292
59 HB3 LYS 9 HB1 LYS 9 -3.768 -8.673 3.421
60 HG2 LYS 9 HG2 LYS 9 -6.158 -7.440 2.401
61 HG3 LYS 9 HG1 LYS 9 -6.516 -9.028 3.081
62 HD2 LYS 9 HD2 LYS 9 -5.828 -8.425 5.197
63 HD3 LYS 9 HD1 LYS 9 -4.761 -7.152 4.601
64 HE2 LYS 9 HE2 LYS 9 -7.765 -7.107 4.790
65 HE3 LYS 9 HE1 LYS 9 -6.614 -6.093 5.659
66 HZ1 LYS 9 HZ1 LYS 9 -7.509 -5.922 2.874
67 HZ2 LYS 9 HZ2 LYS 9 -5.936 -5.421 3.239
68 HZ3 LYS 9 HZ3 LYS 9 -7.254 -4.687 4.002
69 H SER 10 HN SER 10 -3.657 -9.445 -0.606
70 HA SER 10 HA SER 10 -1.065 -10.492 0.039
71 HB2 SER 10 HB2 SER 10 -2.928 -10.867 -2.301
72 HB3 SER 10 HB1 SER 10 -1.330 -11.611 -2.243
73 HG SER 10 HG SER 10 -3.625 -12.219 -0.826
74 H GLU 11 HN GLU 11 -2.208 -7.804 -1.813
75 HA GLU 11 HA GLU 11 0.314 -7.618 -3.294
76 HB2 GLU 11 HB2 GLU 11 -2.421 -6.712 -3.646
77 HB3 GLU 11 HB1 GLU 11 -1.266 -5.428 -3.944
78 HG2 GLU 11 HG2 GLU 11 -0.516 -7.926 -5.224
79 HG3 GLU 11 HG1 GLU 11 -2.111 -7.358 -5.728
80 H CYS 12 HN CYS 12 -1.635 -5.909 -0.943
81 HA CYS 12 HA CYS 12 0.406 -3.842 -0.699
82 HB2 CYS 12 HB2 CYS 12 -2.469 -4.081 -0.031
83 HB3 CYS 12 HB1 CYS 12 -1.501 -3.007 0.989
84 H THR 13 HN THR 13 2.018 -4.424 0.549
85 HA THR 13 HA THR 13 1.409 -5.693 3.137
86 HB THR 13 HB THR 13 3.847 -6.524 2.936
87 HG1 THR 13 HG1 THR 13 4.852 -5.926 1.223
88 HG21 THR 13 HG21 THR 13 1.734 -7.908 2.502
89 HG22 THR 13 HG22 THR 13 3.256 -8.488 1.825
90 HG23 THR 13 HG23 THR 13 2.087 -7.664 0.788
91 H GLN 14 HN GLN 14 2.416 -4.877 4.972
92 HA GLN 14 HA GLN 14 2.934 -2.181 5.161
93 HB2 GLN 14 HB2 GLN 14 4.317 -4.244 6.877
94 HB3 GLN 14 HB1 GLN 14 3.872 -2.602 7.321
95 HG2 GLN 14 HG2 GLN 14 2.032 -4.935 6.857
96 HG3 GLN 14 HG1 GLN 14 2.344 -4.090 8.372
97 HE21 GLN 14 HE21 GLN 14 0.526 -4.140 5.455
98 HE22 GLN 14 HE22 GLN 14 -0.434 -2.740 5.772
99 H PHE 15 HN PHE 15 4.997 -4.742 4.115
100 HA PHE 15 HA PHE 15 7.505 -3.505 4.276
101 HB2 PHE 15 HB2 PHE 15 6.298 -5.818 2.948
102 HB3 PHE 15 HB1 PHE 15 7.626 -5.122 2.039
103 HD1 PHE 15 HD1 PHE 15 9.866 -4.915 3.133
104 HD2 PHE 15 HD2 PHE 15 6.661 -7.098 4.884
105 HE1 PHE 15 HE1 PHE 15 11.466 -6.083 4.588
106 HE2 PHE 15 HE2 PHE 15 8.256 -8.272 6.346
107 HZ PHE 15 HZ PHE 15 10.662 -7.765 6.200
108 H ARG 16 HN ARG 16 4.979 -3.431 1.831
109 HA ARG 16 HA ARG 16 6.341 -2.148 -0.228
110 HB2 ARG 16 HB2 ARG 16 3.428 -1.828 0.497
111 HB3 ARG 16 HB1 ARG 16 4.148 -1.519 -1.070
112 HG2 ARG 16 HG2 ARG 16 4.093 -4.194 0.273
113 HG3 ARG 16 HG1 ARG 16 2.933 -3.651 -0.939
114 HD2 ARG 16 HD2 ARG 16 4.313 -4.447 -2.492
115 HD3 ARG 16 HD1 ARG 16 5.441 -3.163 -2.060
116 HE ARG 16 HE ARG 16 6.016 -5.064 -0.251
117 HH11 ARG 16 HH11 ARG 16 5.669 -5.172 -3.723
118 HH12 ARG 16 HH12 ARG 16 6.788 -6.478 -3.919
119 HH21 ARG 16 HH21 ARG 16 7.489 -6.782 -0.509
120 HH22 ARG 16 HH22 ARG 16 7.821 -7.392 -2.095
121 H CYS 17 HN CYS 17 4.523 -0.715 2.477
122 HA CYS 17 HA CYS 17 4.931 1.938 1.601
123 HB2 CYS 17 HB2 CYS 17 4.100 0.724 4.206
124 HB3 CYS 17 HB1 CYS 17 4.500 2.436 4.126
125 H ARG 18 HN ARG 18 6.869 -0.282 3.401
126 HA ARG 18 HA ARG 18 8.636 1.517 4.647
127 HB2 ARG 18 HB2 ARG 18 8.377 -1.263 4.430
128 HB3 ARG 18 HB1 ARG 18 9.982 -0.884 3.780
129 HG2 ARG 18 HG2 ARG 18 10.732 -0.056 5.806
130 HG3 ARG 18 HG1 ARG 18 9.104 0.263 6.409
131 HD2 ARG 18 HD2 ARG 18 8.951 -2.395 6.106
132 HD3 ARG 18 HD1 ARG 18 10.680 -2.239 6.412
133 HE ARG 18 HE ARG 18 9.573 -0.763 8.387
134 HH11 ARG 18 HH11 ARG 18 9.040 -4.024 7.265
135 HH12 ARG 18 HH12 ARG 18 8.577 -4.618 8.824
136 HH21 ARG 18 HH21 ARG 18 8.965 -1.544 10.439
137 HH22 ARG 18 HH22 ARG 18 8.534 -3.211 10.625
138 H THR 19 HN THR 19 8.919 -0.287 1.682
139 HA THR 19 HA THR 19 11.168 1.417 0.896
140 HB THR 19 HB THR 19 11.842 -0.776 1.363
141 HG1 THR 19 HG1 THR 19 12.633 0.059 -0.664
142 HG21 THR 19 HG21 THR 19 9.774 -1.920 1.402
143 HG22 THR 19 HG22 THR 19 10.867 -2.758 0.292
144 HG23 THR 19 HG23 THR 19 9.574 -1.738 -0.344
145 H SER 20 HN SER 20 8.130 0.045 -0.215
146 HA SER 20 HA SER 20 8.520 1.099 -2.902
147 HB2 SER 20 HB2 SER 20 6.790 -0.893 -1.660
148 HB3 SER 20 HB1 SER 20 5.913 0.164 -2.764
149 HG SER 20 HG SER 20 7.496 -0.349 -4.354
150 H MET 21 HN MET 21 8.104 3.159 -3.297
151 HA MET 21 HA MET 21 6.425 4.738 -1.583
152 HB2 MET 21 HB2 MET 21 8.304 5.216 -3.785
153 HB3 MET 21 HB1 MET 21 6.944 6.329 -3.749
154 HG2 MET 21 HG2 MET 21 7.850 7.472 -2.092
155 HG3 MET 21 HG1 MET 21 8.001 6.017 -1.110
156 HE1 MET 21 HE1 MET 21 10.063 8.301 -0.687
157 HE2 MET 21 HE2 MET 21 11.583 7.406 -0.700
158 HE3 MET 21 HE3 MET 21 10.167 6.728 0.104
159 H LYS 22 HN LYS 22 6.227 3.528 -4.896
160 HA LYS 22 HA LYS 22 3.835 4.817 -5.607
161 HB2 LYS 22 HB2 LYS 22 5.419 3.781 -7.204
162 HB3 LYS 22 HB1 LYS 22 4.921 2.193 -6.639
163 HG2 LYS 22 HG2 LYS 22 2.544 3.439 -7.316
164 HG3 LYS 22 HG1 LYS 22 3.675 3.953 -8.568
165 HD2 LYS 22 HD2 LYS 22 4.153 1.722 -9.187
166 HD3 LYS 22 HD1 LYS 22 3.380 1.077 -7.738
167 HE2 LYS 22 HE2 LYS 22 1.228 2.112 -8.624
168 HE3 LYS 22 HE1 LYS 22 2.087 2.322 -10.149
169 HZ1 LYS 22 HZ1 LYS 22 2.168 0.080 -10.519
170 HZ2 LYS 22 HZ2 LYS 22 0.690 0.189 -9.705
171 HZ3 LYS 22 HZ3 LYS 22 2.073 -0.325 -8.879
172 H TYR 23 HN TYR 23 4.389 2.107 -3.559
173 HA TYR 23 HA TYR 23 1.764 0.966 -3.912
174 HB2 TYR 23 HB2 TYR 23 4.063 0.382 -2.071
175 HB3 TYR 23 HB1 TYR 23 2.502 -0.405 -1.870
176 HD1 TYR 23 HD1 TYR 23 4.725 0.395 -4.765
177 HD2 TYR 23 HD2 TYR 23 2.466 -2.545 -2.687
178 HE1 TYR 23 HE1 TYR 23 5.364 -1.280 -6.453
179 HE2 TYR 23 HE2 TYR 23 3.096 -4.228 -4.361
180 HH TYR 23 HH TYR 23 3.839 -4.272 -6.739
181 H ARG 24 HN ARG 24 3.329 3.091 -1.593
182 HA ARG 24 HA ARG 24 1.380 2.914 0.436
183 HB2 ARG 24 HB2 ARG 24 3.042 5.359 -0.114
184 HB3 ARG 24 HB1 ARG 24 2.404 4.809 1.425
185 HG2 ARG 24 HG2 ARG 24 4.105 3.421 1.783
186 HG3 ARG 24 HG1 ARG 24 4.228 2.942 0.090
187 HD2 ARG 24 HD2 ARG 24 5.227 5.222 -0.333
188 HD3 ARG 24 HD1 ARG 24 5.311 5.414 1.416
189 HE ARG 24 HE ARG 24 6.554 3.001 0.426
190 HH11 ARG 24 HH11 ARG 24 7.006 6.385 1.188
191 HH12 ARG 24 HH12 ARG 24 8.717 6.235 1.408
192 HH21 ARG 24 HH21 ARG 24 8.804 2.810 0.723
193 HH22 ARG 24 HH22 ARG 24 9.738 4.206 1.142
194 H LEU 25 HN LEU 25 1.917 5.600 -1.825
195 HA LEU 25 HA LEU 25 -0.736 6.623 -1.217
196 HB2 LEU 25 HB2 LEU 25 1.287 7.848 -3.061
197 HB3 LEU 25 HB1 LEU 25 -0.012 8.645 -2.187
198 HG LEU 25 HG LEU 25 1.751 9.294 -0.888
199 HD11 LEU 25 HD11 LEU 25 1.747 6.699 0.526
200 HD12 LEU 25 HD12 LEU 25 0.180 7.481 0.316
201 HD13 LEU 25 HD13 LEU 25 1.485 8.332 1.139
202 HD21 LEU 25 HD21 LEU 25 3.753 8.581 -1.526
203 HD22 LEU 25 HD22 LEU 25 3.084 7.092 -2.189
204 HD23 LEU 25 HD23 LEU 25 3.515 7.181 -0.481
205 H ASN 26 HN ASN 26 1.056 5.524 -4.072
206 HA ASN 26 HA ASN 26 -1.011 6.183 -5.891
207 HB2 ASN 26 HB2 ASN 26 1.622 5.489 -6.090
208 HB3 ASN 26 HB1 ASN 26 0.812 4.064 -6.744
209 HD21 ASN 26 HD21 ASN 26 -0.311 4.212 -8.653
210 HD22 ASN 26 HD22 ASN 26 -0.222 5.590 -9.690
211 H LEU 27 HN LEU 27 -0.216 3.152 -4.208
212 HA LEU 27 HA LEU 27 -2.424 1.841 -5.600
213 HB2 LEU 27 HB2 LEU 27 -0.126 0.899 -3.972
214 HB3 LEU 27 HB1 LEU 27 -1.580 -0.078 -3.939
215 HG LEU 27 HG LEU 27 -1.492 -0.149 -6.449
216 HD11 LEU 27 HD11 LEU 27 0.664 0.345 -7.501
217 HD12 LEU 27 HD12 LEU 27 1.248 1.011 -5.977
218 HD13 LEU 27 HD13 LEU 27 -0.087 1.790 -6.826
219 HD21 LEU 27 HD21 LEU 27 -0.668 -1.941 -4.882
220 HD22 LEU 27 HD22 LEU 27 0.955 -1.299 -5.132
221 HD23 LEU 27 HD23 LEU 27 0.045 -1.948 -6.495
222 H CYS 28 HN CYS 28 -1.987 0.618 -2.424
223 HA CYS 28 HA CYS 28 -4.607 1.667 -1.679
224 HB2 CYS 28 HB2 CYS 28 -4.456 0.030 0.133
225 HB3 CYS 28 HB1 CYS 28 -4.114 -0.733 -1.423
226 H LYS 29 HN LYS 29 -4.967 2.807 0.212
227 HA LYS 29 HA LYS 29 -2.763 4.440 1.093
228 HB2 LYS 29 HB2 LYS 29 -5.682 4.454 1.870
229 HB3 LYS 29 HB1 LYS 29 -4.492 5.637 2.402
230 HG2 LYS 29 HG2 LYS 29 -4.391 5.431 -0.445
231 HG3 LYS 29 HG1 LYS 29 -6.065 5.673 0.064
232 HD2 LYS 29 HD2 LYS 29 -5.626 7.733 0.996
233 HD3 LYS 29 HD1 LYS 29 -3.925 7.360 1.278
234 HE2 LYS 29 HE2 LYS 29 -3.430 8.476 -0.579
235 HE3 LYS 29 HE1 LYS 29 -4.285 7.240 -1.500
236 HZ1 LYS 29 HZ1 LYS 29 -6.347 8.543 -1.119
237 HZ2 LYS 29 HZ2 LYS 29 -5.195 9.350 -2.058
238 HZ3 LYS 29 HZ3 LYS 29 -5.406 9.772 -0.434
239 H LYS 30 HN LYS 30 -5.205 2.457 2.736
240 HA LYS 30 HA LYS 30 -3.667 2.429 5.160
241 HB2 LYS 30 HB2 LYS 30 -6.036 2.586 5.359
242 HB3 LYS 30 HB1 LYS 30 -6.270 1.138 4.390
243 HG2 LYS 30 HG2 LYS 30 -6.608 0.383 6.549
244 HG3 LYS 30 HG1 LYS 30 -4.926 -0.049 6.233
245 HD2 LYS 30 HD2 LYS 30 -4.136 1.378 7.774
246 HD3 LYS 30 HD1 LYS 30 -5.312 2.627 7.364
247 HE2 LYS 30 HE2 LYS 30 -5.622 1.802 9.652
248 HE3 LYS 30 HE1 LYS 30 -7.025 1.471 8.638
249 HZ1 LYS 30 HZ1 LYS 30 -5.208 -0.366 9.928
250 HZ2 LYS 30 HZ2 LYS 30 -5.573 -0.765 8.325
251 HZ3 LYS 30 HZ3 LYS 30 -6.818 -0.587 9.456
252 H THR 31 HN THR 31 -4.856 -0.198 3.019
253 HA THR 31 HA THR 31 -3.804 -2.314 4.369
254 HB THR 31 HB THR 31 -3.895 -2.049 1.368
255 HG1 THR 31 HG1 THR 31 -5.810 -2.938 3.260
256 HG21 THR 31 HG21 THR 31 -4.145 -4.561 2.972
257 HG22 THR 31 HG22 THR 31 -2.599 -4.001 2.337
258 HG23 THR 31 HG23 THR 31 -3.925 -4.380 1.233
259 H CYS 32 HN CYS 32 -2.015 -0.071 2.395
260 HA CYS 32 HA CYS 32 0.336 -1.730 2.264
261 HB2 CYS 32 HB2 CYS 32 0.151 -0.115 0.532
262 HB3 CYS 32 HB1 CYS 32 -0.108 1.198 1.674
263 H GLY 33 HN GLY 33 -1.070 0.180 4.651
264 HA2 GLY 33 HA2 GLY 33 -0.384 0.298 6.884
265 HA3 GLY 33 HA1 GLY 33 1.206 -0.267 6.400
266 H THR 34 HN THR 34 -0.753 2.556 5.422
267 HA THR 34 HA THR 34 1.323 4.299 6.536
268 HB THR 34 HB THR 34 2.018 4.217 4.275
269 HG1 THR 34 HG1 THR 34 2.089 6.303 4.712
270 HG21 THR 34 HG21 THR 34 -0.110 3.236 3.376
271 HG22 THR 34 HG22 THR 34 0.685 4.438 2.360
272 HG23 THR 34 HG23 THR 34 -0.733 4.884 3.309
273 H CYS 35 HN CYS 35 -1.947 3.923 5.302
274 HA CYS 35 HA CYS 35 -2.931 6.488 5.735
275 HB2 CYS 35 HB2 CYS 35 -4.072 4.412 4.687
276 HB3 CYS 35 HB1 CYS 35 -4.583 4.052 6.329
Start of MODEL 19
1 H1 ALA 2 HT1 ALA 2 -11.692 8.583 0.116
2 H2 ALA 2 HT2 ALA 2 -11.534 7.603 1.515
3 H3 ALA 2 HT3 ALA 2 -11.253 6.934 -0.040
4 HA ALA 2 HA ALA 2 -9.386 8.369 -0.344
5 HB1 ALA 2 HB1 ALA 2 -10.411 9.493 2.188
6 HB2 ALA 2 HB2 ALA 2 -9.590 10.283 0.841
7 HB3 ALA 2 HB3 ALA 2 -8.658 9.374 2.031
8 H CYS 3 HN CYS 3 -9.825 7.259 3.018
9 HA CYS 3 HA CYS 3 -7.391 5.767 2.960
10 HB2 CYS 3 HB2 CYS 3 -8.569 6.854 4.991
11 HB3 CYS 3 HB1 CYS 3 -9.555 5.396 5.015
12 H LYS 4 HN LYS 4 -8.002 4.523 0.995
13 HA LYS 4 HA LYS 4 -9.350 2.033 1.785
14 HB2 LYS 4 HB2 LYS 4 -9.730 3.604 -0.761
15 HB3 LYS 4 HB1 LYS 4 -10.145 1.900 -0.639
16 HG2 LYS 4 HG2 LYS 4 -11.251 3.828 1.350
17 HG3 LYS 4 HG1 LYS 4 -11.959 3.725 -0.263
18 HD2 LYS 4 HD2 LYS 4 -12.765 1.613 0.075
19 HD3 LYS 4 HD1 LYS 4 -11.482 1.189 1.210
20 HE2 LYS 4 HE2 LYS 4 -13.147 1.400 2.723
21 HE3 LYS 4 HE1 LYS 4 -12.714 3.107 2.624
22 HZ1 LYS 4 HZ1 LYS 4 -14.466 3.398 0.965
23 HZ2 LYS 4 HZ2 LYS 4 -15.090 2.822 2.428
24 HZ3 LYS 4 HZ3 LYS 4 -14.897 1.769 1.118
25 H ASP 5 HN ASP 5 -8.902 0.372 -0.168
26 HA ASP 5 HA ASP 5 -6.025 0.519 -0.701
27 HB2 ASP 5 HB2 ASP 5 -5.908 -1.912 -0.409
28 HB3 ASP 5 HB1 ASP 5 -6.509 -1.123 1.045
29 H TYR 6 HN TYR 6 -5.439 0.404 -2.724
30 HA TYR 6 HA TYR 6 -7.364 -0.016 -4.809
31 HB2 TYR 6 HB2 TYR 6 -5.050 1.423 -4.628
32 HB3 TYR 6 HB1 TYR 6 -4.515 0.032 -5.563
33 HD1 TYR 6 HD2 TYR 6 -5.781 -0.538 -7.693
34 HD2 TYR 6 HD1 TYR 6 -6.272 3.156 -5.640
35 HE1 TYR 6 HE2 TYR 6 -6.732 0.462 -9.729
36 HE2 TYR 6 HE1 TYR 6 -7.225 4.165 -7.670
37 HH TYR 6 HH TYR 6 -8.373 2.470 -10.201
38 H LEU 7 HN LEU 7 -5.612 -2.154 -2.946
39 HA LEU 7 HA LEU 7 -6.033 -4.279 -4.894
40 HB2 LEU 7 HB2 LEU 7 -3.376 -3.423 -3.852
41 HB3 LEU 7 HB1 LEU 7 -3.649 -5.116 -4.103
42 HG LEU 7 HG LEU 7 -4.326 -3.279 -6.329
43 HD11 LEU 7 HD11 LEU 7 -1.585 -3.830 -5.310
44 HD12 LEU 7 HD12 LEU 7 -2.253 -2.350 -6.001
45 HD13 LEU 7 HD13 LEU 7 -1.854 -3.713 -7.048
46 HD21 LEU 7 HD21 LEU 7 -3.713 -6.116 -5.924
47 HD22 LEU 7 HD22 LEU 7 -3.002 -5.400 -7.367
48 HD23 LEU 7 HD23 LEU 7 -4.746 -5.335 -7.118
49 HA PRO 8 HA PRO 8 -6.866 -6.649 -1.270
50 HB2 PRO 8 HB2 PRO 8 -6.082 -9.125 -1.802
51 HB3 PRO 8 HB1 PRO 8 -7.326 -8.338 -2.784
52 HG2 PRO 8 HG2 PRO 8 -4.436 -8.751 -3.349
53 HG3 PRO 8 HG1 PRO 8 -5.825 -8.900 -4.437
54 HD2 PRO 8 HD2 PRO 8 -4.156 -6.698 -4.257
55 HD3 PRO 8 HD1 PRO 8 -5.766 -6.653 -4.961
56 H LYS 9 HN LYS 9 -6.057 -8.002 0.443
57 HA LYS 9 HA LYS 9 -3.896 -6.900 1.760
58 HB2 LYS 9 HB2 LYS 9 -4.986 -9.682 2.198
59 HB3 LYS 9 HB1 LYS 9 -4.099 -8.707 3.362
60 HG2 LYS 9 HG2 LYS 9 -6.690 -7.752 2.199
61 HG3 LYS 9 HG1 LYS 9 -6.648 -8.854 3.576
62 HD2 LYS 9 HD2 LYS 9 -6.403 -7.082 4.899
63 HD3 LYS 9 HD1 LYS 9 -4.810 -6.833 4.182
64 HE2 LYS 9 HE2 LYS 9 -6.148 -4.801 4.056
65 HE3 LYS 9 HE1 LYS 9 -5.811 -5.433 2.445
66 HZ1 LYS 9 HZ1 LYS 9 -7.991 -6.191 2.211
67 HZ2 LYS 9 HZ2 LYS 9 -8.166 -4.669 2.928
68 HZ3 LYS 9 HZ3 LYS 9 -8.325 -6.068 3.865
69 H SER 10 HN SER 10 -3.854 -9.333 -0.683
70 HA SER 10 HA SER 10 -1.289 -10.405 0.082
71 HB2 SER 10 HB2 SER 10 -3.335 -11.462 -1.311
72 HB3 SER 10 HB1 SER 10 -2.329 -10.902 -2.647
73 HG SER 10 HG SER 10 -1.519 -12.611 -0.530
74 H GLU 11 HN GLU 11 -2.358 -7.719 -1.790
75 HA GLU 11 HA GLU 11 0.161 -7.609 -3.284
76 HB2 GLU 11 HB2 GLU 11 -2.547 -6.661 -3.648
77 HB3 GLU 11 HB1 GLU 11 -1.390 -5.369 -3.899
78 HG2 GLU 11 HG2 GLU 11 -0.632 -7.841 -5.231
79 HG3 GLU 11 HG1 GLU 11 -2.211 -7.241 -5.745
80 H CYS 12 HN CYS 12 -1.728 -5.835 -0.931
81 HA CYS 12 HA CYS 12 0.362 -3.817 -0.709
82 HB2 CYS 12 HB2 CYS 12 -2.499 -4.011 0.035
83 HB3 CYS 12 HB1 CYS 12 -1.486 -2.954 1.027
84 H THR 13 HN THR 13 1.985 -4.354 0.535
85 HA THR 13 HA THR 13 1.409 -5.674 3.107
86 HB THR 13 HB THR 13 3.853 -6.495 2.856
87 HG1 THR 13 HG1 THR 13 3.292 -5.951 0.136
88 HG21 THR 13 HG21 THR 13 2.022 -7.631 0.763
89 HG22 THR 13 HG22 THR 13 1.740 -7.887 2.489
90 HG23 THR 13 HG23 THR 13 3.235 -8.457 1.747
91 H GLN 14 HN GLN 14 2.430 -4.881 4.939
92 HA GLN 14 HA GLN 14 2.959 -2.189 5.155
93 HB2 GLN 14 HB2 GLN 14 4.331 -4.287 6.839
94 HB3 GLN 14 HB1 GLN 14 3.914 -2.643 7.305
95 HG2 GLN 14 HG2 GLN 14 2.042 -4.948 6.833
96 HG3 GLN 14 HG1 GLN 14 2.366 -4.110 8.349
97 HE21 GLN 14 HE21 GLN 14 0.531 -4.143 5.447
98 HE22 GLN 14 HE22 GLN 14 -0.408 -2.729 5.766
99 H PHE 15 HN PHE 15 5.010 -4.744 4.068
100 HA PHE 15 HA PHE 15 7.521 -3.512 4.234
101 HB2 PHE 15 HB2 PHE 15 6.307 -5.806 2.880
102 HB3 PHE 15 HB1 PHE 15 7.632 -5.098 1.975
103 HD1 PHE 15 HD1 PHE 15 9.872 -4.876 3.095
104 HD2 PHE 15 HD2 PHE 15 6.682 -7.144 4.765
105 HE1 PHE 15 HE1 PHE 15 11.476 -6.065 4.529
106 HE2 PHE 15 HE2 PHE 15 8.282 -8.339 6.205
107 HZ PHE 15 HZ PHE 15 10.683 -7.800 6.088
108 H ARG 16 HN ARG 16 4.977 -3.399 1.811
109 HA ARG 16 HA ARG 16 6.314 -2.097 -0.249
110 HB2 ARG 16 HB2 ARG 16 3.416 -1.808 0.551
111 HB3 ARG 16 HB1 ARG 16 4.092 -1.403 -1.014
112 HG2 ARG 16 HG2 ARG 16 4.114 -4.147 0.181
113 HG3 ARG 16 HG1 ARG 16 2.910 -3.560 -0.968
114 HD2 ARG 16 HD2 ARG 16 4.331 -4.511 -2.458
115 HD3 ARG 16 HD1 ARG 16 5.133 -2.947 -2.321
116 HE ARG 16 HE ARG 16 6.099 -4.804 -0.389
117 HH11 ARG 16 HH11 ARG 16 6.340 -3.896 -3.750
118 HH12 ARG 16 HH12 ARG 16 7.941 -4.531 -3.935
119 HH21 ARG 16 HH21 ARG 16 8.204 -5.638 -0.630
120 HH22 ARG 16 HH22 ARG 16 8.999 -5.520 -2.165
121 H CYS 17 HN CYS 17 4.502 -0.659 2.466
122 HA CYS 17 HA CYS 17 4.939 1.991 1.621
123 HB2 CYS 17 HB2 CYS 17 4.142 0.768 4.234
124 HB3 CYS 17 HB1 CYS 17 4.533 2.481 4.144
125 H ARG 18 HN ARG 18 6.878 -0.252 3.397
126 HA ARG 18 HA ARG 18 8.666 1.534 4.629
127 HB2 ARG 18 HB2 ARG 18 8.390 -1.242 4.421
128 HB3 ARG 18 HB1 ARG 18 9.987 -0.878 3.743
129 HG2 ARG 18 HG2 ARG 18 9.952 0.630 6.035
130 HG3 ARG 18 HG1 ARG 18 9.039 -0.800 6.517
131 HD2 ARG 18 HD2 ARG 18 11.338 -1.586 4.994
132 HD3 ARG 18 HD1 ARG 18 11.832 -0.514 6.302
133 HE ARG 18 HE ARG 18 10.190 -2.260 7.542
134 HH11 ARG 18 HH11 ARG 18 12.944 -2.678 5.439
135 HH12 ARG 18 HH12 ARG 18 13.425 -4.178 6.160
136 HH21 ARG 18 HH21 ARG 18 10.822 -4.232 8.492
137 HH22 ARG 18 HH22 ARG 18 12.220 -5.060 7.892
138 H THR 19 HN THR 19 8.923 -0.266 1.657
139 HA THR 19 HA THR 19 11.172 1.434 0.863
140 HB THR 19 HB THR 19 11.838 -0.764 1.323
141 HG1 THR 19 HG1 THR 19 12.785 -1.238 -0.565
142 HG21 THR 19 HG21 THR 19 10.854 -2.736 0.241
143 HG22 THR 19 HG22 THR 19 9.565 -1.706 -0.389
144 HG23 THR 19 HG23 THR 19 9.767 -1.900 1.357
145 H SER 20 HN SER 20 8.128 0.065 -0.240
146 HA SER 20 HA SER 20 8.508 1.133 -2.923
147 HB2 SER 20 HB2 SER 20 7.269 -1.111 -2.100
148 HB3 SER 20 HB1 SER 20 5.888 -0.015 -2.142
149 HG SER 20 HG SER 20 7.199 -1.179 -4.187
150 H MET 21 HN MET 21 8.066 3.185 -3.324
151 HA MET 21 HA MET 21 6.397 4.749 -1.587
152 HB2 MET 21 HB2 MET 21 8.262 5.247 -3.796
153 HB3 MET 21 HB1 MET 21 6.899 6.357 -3.744
154 HG2 MET 21 HG2 MET 21 7.788 7.478 -2.058
155 HG3 MET 21 HG1 MET 21 7.999 6.004 -1.116
156 HE1 MET 21 HE1 MET 21 11.061 7.623 -4.150
157 HE2 MET 21 HE2 MET 21 9.865 8.688 -3.410
158 HE3 MET 21 HE3 MET 21 9.343 7.367 -4.456
159 H LYS 22 HN LYS 22 6.169 3.562 -4.911
160 HA LYS 22 HA LYS 22 3.779 4.865 -5.595
161 HB2 LYS 22 HB2 LYS 22 5.379 3.770 -7.178
162 HB3 LYS 22 HB1 LYS 22 4.758 2.212 -6.652
163 HG2 LYS 22 HG2 LYS 22 3.460 2.485 -8.478
164 HG3 LYS 22 HG1 LYS 22 2.451 3.356 -7.323
165 HD2 LYS 22 HD2 LYS 22 2.750 5.297 -8.386
166 HD3 LYS 22 HD1 LYS 22 4.495 5.057 -8.488
167 HE2 LYS 22 HE2 LYS 22 3.671 3.273 -10.325
168 HE3 LYS 22 HE1 LYS 22 2.371 4.458 -10.452
169 HZ1 LYS 22 HZ1 LYS 22 5.220 5.249 -10.547
170 HZ2 LYS 22 HZ2 LYS 22 3.869 6.131 -11.053
171 HZ3 LYS 22 HZ3 LYS 22 4.377 4.783 -11.938
172 H TYR 23 HN TYR 23 4.320 2.143 -3.557
173 HA TYR 23 HA TYR 23 1.681 1.034 -3.898
174 HB2 TYR 23 HB2 TYR 23 3.984 0.419 -2.074
175 HB3 TYR 23 HB1 TYR 23 2.414 -0.346 -1.857
176 HD1 TYR 23 HD1 TYR 23 4.538 0.440 -4.829
177 HD2 TYR 23 HD2 TYR 23 2.423 -2.510 -2.616
178 HE1 TYR 23 HE1 TYR 23 5.137 -1.247 -6.519
179 HE2 TYR 23 HE2 TYR 23 3.015 -4.206 -4.291
180 HH TYR 23 HH TYR 23 5.344 -3.628 -6.751
181 H ARG 24 HN ARG 24 3.300 3.104 -1.564
182 HA ARG 24 HA ARG 24 1.368 2.970 0.474
183 HB2 ARG 24 HB2 ARG 24 3.044 5.397 -0.117
184 HB3 ARG 24 HB1 ARG 24 2.416 4.872 1.434
185 HG2 ARG 24 HG2 ARG 24 4.100 3.459 1.788
186 HG3 ARG 24 HG1 ARG 24 4.221 2.984 0.093
187 HD2 ARG 24 HD2 ARG 24 5.225 5.267 -0.320
188 HD3 ARG 24 HD1 ARG 24 5.318 5.445 1.430
189 HE ARG 24 HE ARG 24 6.545 3.035 0.418
190 HH11 ARG 24 HH11 ARG 24 7.018 6.411 1.197
191 HH12 ARG 24 HH12 ARG 24 8.729 6.251 1.409
192 HH21 ARG 24 HH21 ARG 24 8.793 2.828 0.708
193 HH22 ARG 24 HH22 ARG 24 9.738 4.217 1.130
194 H LEU 25 HN LEU 25 1.903 5.637 -1.811
195 HA LEU 25 HA LEU 25 -0.733 6.690 -1.185
196 HB2 LEU 25 HB2 LEU 25 1.285 7.885 -3.053
197 HB3 LEU 25 HB1 LEU 25 0.001 8.699 -2.173
198 HG LEU 25 HG LEU 25 1.781 9.340 -0.892
199 HD11 LEU 25 HD11 LEU 25 1.527 8.389 1.143
200 HD12 LEU 25 HD12 LEU 25 1.758 6.750 0.535
201 HD13 LEU 25 HD13 LEU 25 0.200 7.554 0.336
202 HD21 LEU 25 HD21 LEU 25 3.529 7.214 -0.484
203 HD22 LEU 25 HD22 LEU 25 3.770 8.602 -1.545
204 HD23 LEU 25 HD23 LEU 25 3.082 7.112 -2.188
205 H ASN 26 HN ASN 26 1.024 5.581 -4.064
206 HA ASN 26 HA ASN 26 -1.071 6.242 -5.851
207 HB2 ASN 26 HB2 ASN 26 1.557 5.558 -6.099
208 HB3 ASN 26 HB1 ASN 26 0.746 4.122 -6.729
209 HD21 ASN 26 HD21 ASN 26 1.792 7.236 -7.402
210 HD22 ASN 26 HD22 ASN 26 0.998 7.452 -8.921
211 H LEU 27 HN LEU 27 -0.248 3.213 -4.180
212 HA LEU 27 HA LEU 27 -2.473 1.898 -5.537
213 HB2 LEU 27 HB2 LEU 27 -0.183 0.954 -3.886
214 HB3 LEU 27 HB1 LEU 27 -1.635 -0.027 -3.911
215 HG LEU 27 HG LEU 27 -1.476 -0.054 -6.418
216 HD11 LEU 27 HD11 LEU 27 -0.038 1.930 -6.632
217 HD12 LEU 27 HD12 LEU 27 0.628 0.516 -7.450
218 HD13 LEU 27 HD13 LEU 27 1.286 1.027 -5.895
219 HD21 LEU 27 HD21 LEU 27 0.076 -1.843 -6.456
220 HD22 LEU 27 HD22 LEU 27 -0.688 -1.873 -4.867
221 HD23 LEU 27 HD23 LEU 27 0.938 -1.217 -5.051
222 H CYS 28 HN CYS 28 -1.992 0.702 -2.354
223 HA CYS 28 HA CYS 28 -4.603 1.765 -1.585
224 HB2 CYS 28 HB2 CYS 28 -4.459 0.106 0.208
225 HB3 CYS 28 HB1 CYS 28 -4.131 -0.645 -1.357
226 H LYS 29 HN LYS 29 -4.930 2.897 0.320
227 HA LYS 29 HA LYS 29 -2.688 4.479 1.207
228 HB2 LYS 29 HB2 LYS 29 -5.619 4.539 1.920
229 HB3 LYS 29 HB1 LYS 29 -4.424 5.638 2.601
230 HG2 LYS 29 HG2 LYS 29 -4.374 5.519 -0.317
231 HG3 LYS 29 HG1 LYS 29 -5.907 6.091 0.349
232 HD2 LYS 29 HD2 LYS 29 -4.345 7.574 1.848
233 HD3 LYS 29 HD1 LYS 29 -3.179 7.286 0.554
234 HE2 LYS 29 HE2 LYS 29 -5.308 7.959 -0.921
235 HE3 LYS 29 HE1 LYS 29 -5.685 8.861 0.546
236 HZ1 LYS 29 HZ1 LYS 29 -3.911 10.230 0.273
237 HZ2 LYS 29 HZ2 LYS 29 -4.201 9.874 -1.355
238 HZ3 LYS 29 HZ3 LYS 29 -2.970 9.069 -0.520
239 H LYS 30 HN LYS 30 -5.164 2.527 2.832
240 HA LYS 30 HA LYS 30 -3.624 2.446 5.251
241 HB2 LYS 30 HB2 LYS 30 -5.995 2.645 5.440
242 HB3 LYS 30 HB1 LYS 30 -6.246 1.193 4.479
243 HG2 LYS 30 HG2 LYS 30 -6.597 0.513 6.683
244 HG3 LYS 30 HG1 LYS 30 -4.962 -0.033 6.297
245 HD2 LYS 30 HD2 LYS 30 -4.477 0.949 8.270
246 HD3 LYS 30 HD1 LYS 30 -4.405 2.401 7.269
247 HE2 LYS 30 HE2 LYS 30 -6.662 2.985 7.866
248 HE3 LYS 30 HE1 LYS 30 -6.870 1.463 8.732
249 HZ1 LYS 30 HZ1 LYS 30 -4.637 3.087 9.607
250 HZ2 LYS 30 HZ2 LYS 30 -5.779 2.235 10.518
251 HZ3 LYS 30 HZ3 LYS 30 -6.163 3.759 9.894
252 H THR 31 HN THR 31 -4.842 -0.141 3.072
253 HA THR 31 HA THR 31 -3.812 -2.282 4.411
254 HB THR 31 HB THR 31 -3.896 -1.994 1.411
255 HG1 THR 31 HG1 THR 31 -5.947 -3.018 1.711
256 HG21 THR 31 HG21 THR 31 -3.973 -4.335 1.275
257 HG22 THR 31 HG22 THR 31 -4.142 -4.505 3.021
258 HG23 THR 31 HG23 THR 31 -2.614 -3.957 2.336
259 H CYS 32 HN CYS 32 -2.014 -0.023 2.471
260 HA CYS 32 HA CYS 32 0.339 -1.684 2.331
261 HB2 CYS 32 HB2 CYS 32 0.138 -0.062 0.599
262 HB3 CYS 32 HB1 CYS 32 -0.103 1.248 1.749
263 H GLY 33 HN GLY 33 -1.081 0.226 4.708
264 HA2 GLY 33 HA2 GLY 33 -0.404 0.312 6.949
265 HA3 GLY 33 HA1 GLY 33 1.201 -0.203 6.460
266 H THR 34 HN THR 34 -0.686 2.575 5.267
267 HA THR 34 HA THR 34 1.302 4.337 6.530
268 HB THR 34 HB THR 34 2.003 4.255 4.257
269 HG1 THR 34 HG1 THR 34 2.100 6.338 4.036
270 HG21 THR 34 HG21 THR 34 0.639 4.714 2.356
271 HG22 THR 34 HG22 THR 34 -0.771 4.979 3.381
272 HG23 THR 34 HG23 THR 34 -0.063 3.368 3.253
273 H CYS 35 HN CYS 35 -1.969 3.936 5.302
274 HA CYS 35 HA CYS 35 -2.861 6.554 5.938
275 HB2 CYS 35 HB2 CYS 35 -4.026 4.900 4.411
276 HB3 CYS 35 HB1 CYS 35 -4.597 4.086 5.864
Start of MODEL 20
1 H1 ALA 2 HT1 ALA 2 -12.389 9.730 0.188
2 H2 ALA 2 HT2 ALA 2 -12.465 8.130 -0.428
3 H3 ALA 2 HT3 ALA 2 -10.969 8.969 -0.395
4 HA ALA 2 HA ALA 2 -11.318 9.113 2.075
5 HB1 ALA 2 HB1 ALA 2 -12.919 7.877 3.079
6 HB2 ALA 2 HB2 ALA 2 -12.856 6.604 1.860
7 HB3 ALA 2 HB3 ALA 2 -13.740 8.094 1.533
8 H CYS 3 HN CYS 3 -10.169 7.509 3.365
9 HA CYS 3 HA CYS 3 -8.034 6.340 1.941
10 HB2 CYS 3 HB2 CYS 3 -7.769 7.114 4.239
11 HB3 CYS 3 HB1 CYS 3 -8.927 5.913 4.801
12 H LYS 4 HN LYS 4 -7.885 4.448 0.944
13 HA LYS 4 HA LYS 4 -9.307 2.122 1.913
14 HB2 LYS 4 HB2 LYS 4 -10.149 3.621 -0.490
15 HB3 LYS 4 HB1 LYS 4 -10.005 1.882 -0.703
16 HG2 LYS 4 HG2 LYS 4 -11.414 1.801 1.502
17 HG3 LYS 4 HG1 LYS 4 -11.871 3.436 1.019
18 HD2 LYS 4 HD2 LYS 4 -12.679 2.617 -1.111
19 HD3 LYS 4 HD1 LYS 4 -12.128 0.986 -0.724
20 HE2 LYS 4 HE2 LYS 4 -13.792 0.660 0.855
21 HE3 LYS 4 HE1 LYS 4 -14.047 2.389 1.089
22 HZ1 LYS 4 HZ1 LYS 4 -15.681 0.875 -0.331
23 HZ2 LYS 4 HZ2 LYS 4 -14.620 1.336 -1.565
24 HZ3 LYS 4 HZ3 LYS 4 -15.436 2.515 -0.668
25 H ASP 5 HN ASP 5 -8.947 0.361 -0.086
26 HA ASP 5 HA ASP 5 -6.066 0.480 -0.609
27 HB2 ASP 5 HB2 ASP 5 -5.982 -1.945 -0.310
28 HB3 ASP 5 HB1 ASP 5 -6.615 -1.155 1.129
29 H TYR 6 HN TYR 6 -5.473 0.388 -2.633
30 HA TYR 6 HA TYR 6 -7.375 -0.006 -4.737
31 HB2 TYR 6 HB2 TYR 6 -5.064 1.405 -4.546
32 HB3 TYR 6 HB1 TYR 6 -4.495 -0.018 -5.412
33 HD1 TYR 6 HD1 TYR 6 -5.458 -0.581 -7.626
34 HD2 TYR 6 HD2 TYR 6 -6.453 3.029 -5.608
35 HE1 TYR 6 HE1 TYR 6 -6.320 0.351 -9.732
36 HE2 TYR 6 HE2 TYR 6 -7.319 3.971 -7.708
37 HH TYR 6 HH TYR 6 -8.169 3.221 -9.852
38 H LEU 7 HN LEU 7 -5.610 -2.148 -2.858
39 HA LEU 7 HA LEU 7 -6.122 -4.305 -4.747
40 HB2 LEU 7 HB2 LEU 7 -3.415 -3.460 -3.831
41 HB3 LEU 7 HB1 LEU 7 -3.718 -5.152 -4.045
42 HG LEU 7 HG LEU 7 -4.472 -3.352 -6.273
43 HD11 LEU 7 HD11 LEU 7 -2.369 -2.423 -5.933
44 HD12 LEU 7 HD12 LEU 7 -2.070 -3.700 -7.113
45 HD13 LEU 7 HD13 LEU 7 -1.672 -3.958 -5.415
46 HD21 LEU 7 HD21 LEU 7 -3.855 -6.179 -5.835
47 HD22 LEU 7 HD22 LEU 7 -3.168 -5.498 -7.307
48 HD23 LEU 7 HD23 LEU 7 -4.907 -5.416 -7.024
49 HA PRO 8 HA PRO 8 -6.812 -6.587 -1.034
50 HB2 PRO 8 HB2 PRO 8 -6.101 -9.085 -1.561
51 HB3 PRO 8 HB1 PRO 8 -7.378 -8.292 -2.494
52 HG2 PRO 8 HG2 PRO 8 -4.530 -8.772 -3.196
53 HG3 PRO 8 HG1 PRO 8 -5.974 -8.907 -4.212
54 HD2 PRO 8 HD2 PRO 8 -4.250 -6.737 -4.141
55 HD3 PRO 8 HD1 PRO 8 -5.887 -6.673 -4.780
56 H LYS 9 HN LYS 9 -5.932 -7.927 0.662
57 HA LYS 9 HA LYS 9 -3.683 -6.845 1.841
58 HB2 LYS 9 HB2 LYS 9 -4.783 -9.607 2.366
59 HB3 LYS 9 HB1 LYS 9 -3.818 -8.636 3.469
60 HG2 LYS 9 HG2 LYS 9 -6.293 -7.372 2.501
61 HG3 LYS 9 HG1 LYS 9 -6.503 -8.783 3.541
62 HD2 LYS 9 HD2 LYS 9 -5.296 -7.776 5.309
63 HD3 LYS 9 HD1 LYS 9 -4.686 -6.494 4.260
64 HE2 LYS 9 HE2 LYS 9 -6.400 -5.518 5.561
65 HE3 LYS 9 HE1 LYS 9 -7.087 -5.773 3.957
66 HZ1 LYS 9 HZ1 LYS 9 -7.437 -7.798 6.071
67 HZ2 LYS 9 HZ2 LYS 9 -8.388 -7.515 4.701
68 HZ3 LYS 9 HZ3 LYS 9 -8.450 -6.444 6.009
69 H SER 10 HN SER 10 -3.836 -9.339 -0.542
70 HA SER 10 HA SER 10 -1.259 -10.456 0.060
71 HB2 SER 10 HB2 SER 10 -3.430 -11.366 -1.320
72 HB3 SER 10 HB1 SER 10 -2.347 -10.915 -2.636
73 HG SER 10 HG SER 10 -0.722 -12.170 -1.372
74 H GLU 11 HN GLU 11 -2.377 -7.755 -1.786
75 HA GLU 11 HA GLU 11 0.110 -7.648 -3.333
76 HB2 GLU 11 HB2 GLU 11 -2.610 -6.671 -3.622
77 HB3 GLU 11 HB1 GLU 11 -1.428 -5.424 -3.965
78 HG2 GLU 11 HG2 GLU 11 -0.795 -7.962 -5.237
79 HG3 GLU 11 HG1 GLU 11 -2.377 -7.336 -5.709
80 H CYS 12 HN CYS 12 -1.734 -5.871 -0.948
81 HA CYS 12 HA CYS 12 0.365 -3.856 -0.768
82 HB2 CYS 12 HB2 CYS 12 -2.496 -4.021 -0.030
83 HB3 CYS 12 HB1 CYS 12 -1.479 -2.979 0.975
84 H THR 13 HN THR 13 1.992 -4.422 0.466
85 HA THR 13 HA THR 13 1.417 -5.725 3.045
86 HB THR 13 HB THR 13 3.857 -6.551 2.792
87 HG1 THR 13 HG1 THR 13 3.306 -6.001 0.071
88 HG21 THR 13 HG21 THR 13 1.737 -7.934 2.411
89 HG22 THR 13 HG22 THR 13 3.238 -8.510 1.685
90 HG23 THR 13 HG23 THR 13 2.038 -7.680 0.688
91 H GLN 14 HN GLN 14 2.468 -4.954 4.874
92 HA GLN 14 HA GLN 14 2.996 -2.258 5.096
93 HB2 GLN 14 HB2 GLN 14 4.368 -4.362 6.771
94 HB3 GLN 14 HB1 GLN 14 3.951 -2.720 7.243
95 HG2 GLN 14 HG2 GLN 14 2.074 -5.020 6.759
96 HG3 GLN 14 HG1 GLN 14 2.409 -4.201 8.283
97 HE21 GLN 14 HE21 GLN 14 0.574 -4.181 5.374
98 HE22 GLN 14 HE22 GLN 14 -0.365 -2.774 5.720
99 H PHE 15 HN PHE 15 5.022 -4.810 3.973
100 HA PHE 15 HA PHE 15 7.542 -3.585 4.142
101 HB2 PHE 15 HB2 PHE 15 6.324 -5.890 2.811
102 HB3 PHE 15 HB1 PHE 15 7.649 -5.192 1.898
103 HD1 PHE 15 HD2 PHE 15 9.874 -4.882 3.095
104 HD2 PHE 15 HD1 PHE 15 6.719 -7.291 4.626
105 HE1 PHE 15 HE2 PHE 15 11.480 -6.057 4.537
106 HE2 PHE 15 HE1 PHE 15 8.319 -8.473 6.074
107 HZ PHE 15 HZ PHE 15 10.704 -7.857 6.031
108 H ARG 16 HN ARG 16 4.961 -3.415 1.772
109 HA ARG 16 HA ARG 16 6.337 -2.143 -0.306
110 HB2 ARG 16 HB2 ARG 16 3.427 -1.813 0.430
111 HB3 ARG 16 HB1 ARG 16 4.147 -1.505 -1.135
112 HG2 ARG 16 HG2 ARG 16 4.116 -4.186 0.184
113 HG3 ARG 16 HG1 ARG 16 2.906 -3.633 -0.974
114 HD2 ARG 16 HD2 ARG 16 4.230 -4.439 -2.574
115 HD3 ARG 16 HD1 ARG 16 5.335 -3.114 -2.212
116 HE ARG 16 HE ARG 16 6.067 -4.972 -0.417
117 HH11 ARG 16 HH11 ARG 16 5.536 -5.144 -3.864
118 HH12 ARG 16 HH12 ARG 16 6.687 -6.415 -4.103
119 HH21 ARG 16 HH21 ARG 16 7.582 -6.641 -0.732
120 HH22 ARG 16 HH22 ARG 16 7.849 -7.265 -2.326
121 H CYS 17 HN CYS 17 4.589 -0.758 2.458
122 HA CYS 17 HA CYS 17 4.985 1.916 1.610
123 HB2 CYS 17 HB2 CYS 17 4.152 0.663 4.194
124 HB3 CYS 17 HB1 CYS 17 4.566 2.372 4.144
125 H ARG 18 HN ARG 18 6.922 -0.345 3.352
126 HA ARG 18 HA ARG 18 8.692 1.422 4.638
127 HB2 ARG 18 HB2 ARG 18 8.426 -1.352 4.359
128 HB3 ARG 18 HB1 ARG 18 10.032 -0.963 3.719
129 HG2 ARG 18 HG2 ARG 18 10.575 0.168 5.825
130 HG3 ARG 18 HG1 ARG 18 8.976 -0.229 6.459
131 HD2 ARG 18 HD2 ARG 18 9.860 -2.671 5.648
132 HD3 ARG 18 HD1 ARG 18 11.365 -1.908 6.161
133 HE ARG 18 HE ARG 18 10.677 -2.156 8.316
134 HH11 ARG 18 HH11 ARG 18 7.859 -2.248 6.260
135 HH12 ARG 18 HH12 ARG 18 6.770 -2.612 7.557
136 HH21 ARG 18 HH21 ARG 18 9.247 -2.636 10.024
137 HH22 ARG 18 HH22 ARG 18 7.558 -2.832 9.694
138 H THR 19 HN THR 19 8.966 -0.317 1.634
139 HA THR 19 HA THR 19 11.213 1.403 0.880
140 HB THR 19 HB THR 19 11.887 -0.799 1.299
141 HG1 THR 19 HG1 THR 19 12.766 -1.329 -0.645
142 HG21 THR 19 HG21 THR 19 9.835 -1.954 1.322
143 HG22 THR 19 HG22 THR 19 10.907 -2.752 0.163
144 HG23 THR 19 HG23 THR 19 9.603 -1.711 -0.412
145 H SER 20 HN SER 20 8.169 0.058 -0.250
146 HA SER 20 HA SER 20 8.549 1.139 -2.923
147 HB2 SER 20 HB2 SER 20 6.829 -0.849 -1.698
148 HB3 SER 20 HB1 SER 20 5.904 0.263 -2.705
149 HG SER 20 HG SER 20 6.678 -1.445 -3.956
150 H MET 21 HN MET 21 8.248 3.243 -3.223
151 HA MET 21 HA MET 21 6.543 4.807 -1.517
152 HB2 MET 21 HB2 MET 21 8.543 5.316 -3.599
153 HB3 MET 21 HB1 MET 21 7.211 6.462 -3.598
154 HG2 MET 21 HG2 MET 21 8.407 7.559 -2.077
155 HG3 MET 21 HG1 MET 21 7.828 6.333 -0.951
156 HE1 MET 21 HE1 MET 21 11.341 8.015 -1.648
157 HE2 MET 21 HE2 MET 21 11.491 7.240 -0.071
158 HE3 MET 21 HE3 MET 21 10.017 8.113 -0.487
159 H LYS 22 HN LYS 22 6.258 3.289 -4.624
160 HA LYS 22 HA LYS 22 3.998 4.844 -5.472
161 HB2 LYS 22 HB2 LYS 22 5.579 3.798 -7.063
162 HB3 LYS 22 HB1 LYS 22 5.028 2.212 -6.541
163 HG2 LYS 22 HG2 LYS 22 2.777 3.808 -7.300
164 HG3 LYS 22 HG1 LYS 22 3.982 3.820 -8.588
165 HD2 LYS 22 HD2 LYS 22 2.937 1.325 -7.252
166 HD3 LYS 22 HD1 LYS 22 2.322 1.973 -8.774
167 HE2 LYS 22 HE2 LYS 22 4.466 1.674 -9.825
168 HE3 LYS 22 HE1 LYS 22 5.193 1.191 -8.292
169 HZ1 LYS 22 HZ1 LYS 22 3.249 -0.593 -8.460
170 HZ2 LYS 22 HZ2 LYS 22 4.783 -0.851 -9.126
171 HZ3 LYS 22 HZ3 LYS 22 3.509 -0.335 -10.113
172 H TYR 23 HN TYR 23 4.429 2.079 -3.474
173 HA TYR 23 HA TYR 23 1.775 1.035 -3.899
174 HB2 TYR 23 HB2 TYR 23 4.023 0.329 -2.039
175 HB3 TYR 23 HB1 TYR 23 2.432 -0.409 -1.881
176 HD1 TYR 23 HD2 TYR 23 4.717 0.390 -4.730
177 HD2 TYR 23 HD1 TYR 23 2.347 -2.529 -2.747
178 HE1 TYR 23 HE2 TYR 23 5.323 -1.262 -6.451
179 HE2 TYR 23 HE1 TYR 23 2.942 -4.189 -4.455
180 HH TYR 23 HH TYR 23 5.441 -3.678 -6.723
181 H ARG 24 HN ARG 24 3.377 3.070 -1.540
182 HA ARG 24 HA ARG 24 1.424 2.943 0.482
183 HB2 ARG 24 HB2 ARG 24 3.122 5.361 -0.078
184 HB3 ARG 24 HB1 ARG 24 2.484 4.823 1.465
185 HG2 ARG 24 HG2 ARG 24 4.165 3.404 1.814
186 HG3 ARG 24 HG1 ARG 24 4.289 2.940 0.117
187 HD2 ARG 24 HD2 ARG 24 5.306 5.218 -0.281
188 HD3 ARG 24 HD1 ARG 24 5.387 5.392 1.470
189 HE ARG 24 HE ARG 24 6.617 2.984 0.448
190 HH11 ARG 24 HH11 ARG 24 7.089 6.346 1.291
191 HH12 ARG 24 HH12 ARG 24 8.796 6.177 1.524
192 HH21 ARG 24 HH21 ARG 24 8.861 2.768 0.769
193 HH22 ARG 24 HH22 ARG 24 9.802 4.147 1.227
194 H LEU 25 HN LEU 25 2.020 5.594 -1.800
195 HA LEU 25 HA LEU 25 -0.611 6.683 -1.217
196 HB2 LEU 25 HB2 LEU 25 1.449 7.842 -3.063
197 HB3 LEU 25 HB1 LEU 25 0.166 8.678 -2.203
198 HG LEU 25 HG LEU 25 1.940 9.299 -0.904
199 HD11 LEU 25 HD11 LEU 25 1.630 8.374 1.131
200 HD12 LEU 25 HD12 LEU 25 1.874 6.728 0.549
201 HD13 LEU 25 HD13 LEU 25 0.319 7.528 0.310
202 HD21 LEU 25 HD21 LEU 25 3.925 8.526 -1.534
203 HD22 LEU 25 HD22 LEU 25 3.223 7.037 -2.163
204 HD23 LEU 25 HD23 LEU 25 3.654 7.157 -0.456
205 H ASN 26 HN ASN 26 1.166 5.529 -4.067
206 HA ASN 26 HA ASN 26 -0.891 6.218 -5.887
207 HB2 ASN 26 HB2 ASN 26 1.726 5.495 -6.097
208 HB3 ASN 26 HB1 ASN 26 0.907 4.064 -6.726
209 HD21 ASN 26 HD21 ASN 26 0.272 7.550 -6.914
210 HD22 ASN 26 HD22 ASN 26 0.172 7.611 -8.638
211 H LEU 27 HN LEU 27 -0.154 3.173 -4.197
212 HA LEU 27 HA LEU 27 -2.393 1.912 -5.586
213 HB2 LEU 27 HB2 LEU 27 -0.090 0.918 -4.009
214 HB3 LEU 27 HB1 LEU 27 -1.565 -0.021 -3.912
215 HG LEU 27 HG LEU 27 -1.563 -0.115 -6.430
216 HD11 LEU 27 HD11 LEU 27 0.747 0.201 -7.425
217 HD12 LEU 27 HD12 LEU 27 1.127 1.136 -5.978
218 HD13 LEU 27 HD13 LEU 27 -0.167 1.664 -7.055
219 HD21 LEU 27 HD21 LEU 27 -0.753 -1.915 -4.854
220 HD22 LEU 27 HD22 LEU 27 0.882 -1.343 -5.185
221 HD23 LEU 27 HD23 LEU 27 -0.113 -1.977 -6.496
222 H CYS 28 HN CYS 28 -1.938 0.690 -2.401
223 HA CYS 28 HA CYS 28 -4.540 1.780 -1.640
224 HB2 CYS 28 HB2 CYS 28 -4.429 0.115 0.146
225 HB3 CYS 28 HB1 CYS 28 -4.095 -0.637 -1.417
226 H LYS 29 HN LYS 29 -4.864 2.907 0.267
227 HA LYS 29 HA LYS 29 -2.615 4.473 1.158
228 HB2 LYS 29 HB2 LYS 29 -5.543 4.547 1.885
229 HB3 LYS 29 HB1 LYS 29 -4.340 5.653 2.537
230 HG2 LYS 29 HG2 LYS 29 -4.262 5.525 -0.362
231 HG3 LYS 29 HG1 LYS 29 -5.842 6.022 0.253
232 HD2 LYS 29 HD2 LYS 29 -3.467 7.284 1.492
233 HD3 LYS 29 HD1 LYS 29 -3.834 7.742 -0.172
234 HE2 LYS 29 HE2 LYS 29 -5.213 9.243 0.761
235 HE3 LYS 29 HE1 LYS 29 -6.295 7.869 0.987
236 HZ1 LYS 29 HZ1 LYS 29 -4.282 8.634 3.016
237 HZ2 LYS 29 HZ2 LYS 29 -5.633 7.634 3.207
238 HZ3 LYS 29 HZ3 LYS 29 -5.837 9.300 2.999
239 H LYS 30 HN LYS 30 -5.099 2.536 2.790
240 HA LYS 30 HA LYS 30 -3.551 2.442 5.206
241 HB2 LYS 30 HB2 LYS 30 -5.904 2.669 5.435
242 HB3 LYS 30 HB1 LYS 30 -6.200 1.256 4.430
243 HG2 LYS 30 HG2 LYS 30 -6.567 0.531 6.622
244 HG3 LYS 30 HG1 LYS 30 -4.962 -0.073 6.199
245 HD2 LYS 30 HD2 LYS 30 -4.592 0.799 8.299
246 HD3 LYS 30 HD1 LYS 30 -4.143 2.155 7.263
247 HE2 LYS 30 HE2 LYS 30 -6.681 2.783 7.550
248 HE3 LYS 30 HE1 LYS 30 -6.536 1.798 9.004
249 HZ1 LYS 30 HZ1 LYS 30 -5.883 3.746 9.887
250 HZ2 LYS 30 HZ2 LYS 30 -5.392 4.399 8.406
251 HZ3 LYS 30 HZ3 LYS 30 -4.378 3.329 9.235
252 H THR 31 HN THR 31 -4.796 -0.132 3.028
253 HA THR 31 HA THR 31 -3.778 -2.277 4.374
254 HB THR 31 HB THR 31 -3.893 -1.996 1.375
255 HG1 THR 31 HG1 THR 31 -5.796 -2.809 3.308
256 HG21 THR 31 HG21 THR 31 -4.144 -4.514 2.970
257 HG22 THR 31 HG22 THR 31 -2.605 -3.965 2.310
258 HG23 THR 31 HG23 THR 31 -3.954 -4.328 1.228
259 H CYS 32 HN CYS 32 -1.977 -0.037 2.420
260 HA CYS 32 HA CYS 32 0.353 -1.720 2.241
261 HB2 CYS 32 HB2 CYS 32 0.170 -0.071 0.540
262 HB3 CYS 32 HB1 CYS 32 -0.058 1.225 1.708
263 H GLY 33 HN GLY 33 -1.018 0.160 4.673
264 HA2 GLY 33 HA2 GLY 33 -0.312 0.177 6.908
265 HA3 GLY 33 HA1 GLY 33 1.281 -0.335 6.386
266 H THR 34 HN THR 34 -0.535 2.483 5.199
267 HA THR 34 HA THR 34 1.466 4.195 6.520
268 HB THR 34 HB THR 34 2.116 4.182 4.231
269 HG1 THR 34 HG1 THR 34 2.144 6.284 3.966
270 HG21 THR 34 HG21 THR 34 0.030 3.322 3.248
271 HG22 THR 34 HG22 THR 34 0.705 4.698 2.376
272 HG23 THR 34 HG23 THR 34 -0.679 4.925 3.444
273 H CYS 35 HN CYS 35 -1.825 3.830 5.372
274 HA CYS 35 HA CYS 35 -2.801 6.388 5.901
275 HB2 CYS 35 HB2 CYS 35 -3.965 4.345 4.811
276 HB3 CYS 35 HB1 CYS 35 -4.439 3.931 6.452