Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21719 | 2i1t RC | 7273 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 1H ASP 1 14.792 11.755 0.105
2 2H ASP 1 2H ASP 1 14.675 10.160 0.689
3 3H ASP 1 3H ASP 1 13.422 11.269 0.980
4 HA ASP 1 HA ASP 1 12.671 11.234 -1.214
5 1HB ASP 1 2HB ASP 1 14.190 10.120 -2.963
6 2HB ASP 1 1HB ASP 1 14.749 11.656 -2.307
7 H GLY 2 H GLY 2 11.645 9.691 0.582
8 1HA GLY 2 2HA GLY 2 12.131 6.860 0.405
9 2HA GLY 2 1HA GLY 2 10.680 7.608 1.075
10 H GLU 3 H GLU 3 11.194 5.314 -0.923
11 HA GLU 3 HA GLU 3 10.088 6.165 -3.467
12 1HB GLU 3 2HB GLU 3 10.707 3.597 -2.046
13 2HB GLU 3 1HB GLU 3 9.731 3.539 -3.514
14 1HG GLU 3 2HG GLU 3 11.802 3.422 -4.503
15 2HG GLU 3 1HG GLU 3 11.691 5.176 -4.375
16 H CYS 4 H CYS 4 7.943 5.706 -4.269
17 HA CYS 4 HA CYS 4 5.891 5.101 -2.178
18 1HB CYS 4 2HB CYS 4 5.265 7.265 -2.301
19 2HB CYS 4 1HB CYS 4 6.462 7.571 -3.550
20 H GLY 5 H GLY 5 3.955 4.142 -3.034
21 1HA GLY 5 2HA GLY 5 4.400 2.674 -5.559
22 2HA GLY 5 1HA GLY 5 3.151 2.323 -4.364
23 H GLY 6 H GLY 6 1.139 2.816 -5.037
24 1HA GLY 6 2HA GLY 6 0.670 5.320 -6.545
25 2HA GLY 6 1HA GLY 6 0.174 3.817 -7.322
26 H PHE 7 H PHE 7 -2.076 4.121 -7.199
27 HA PHE 7 HA PHE 7 -3.307 4.792 -4.592
28 1HB PHE 7 2HB PHE 7 -4.102 5.833 -6.672
29 2HB PHE 7 1HB PHE 7 -4.445 4.241 -7.350
30 HD1 PHE 7 HD1 PHE 7 -5.082 5.771 -3.970
31 HD2 PHE 7 HD2 PHE 7 -6.752 3.911 -7.465
32 HE1 PHE 7 HE1 PHE 7 -7.323 5.788 -2.909
33 HE2 PHE 7 HE2 PHE 7 -8.992 3.930 -6.403
34 HZ PHE 7 HZ PHE 7 -9.278 4.868 -4.126
35 H TRP 8 H TRP 8 -3.110 2.052 -6.843
36 HA TRP 8 HA TRP 8 -4.061 0.263 -4.648
37 1HB TRP 8 2HB TRP 8 -5.476 1.070 -7.023
38 2HB TRP 8 1HB TRP 8 -5.123 -0.654 -7.131
39 HD1 TRP 8 HD1 TRP 8 -6.584 1.843 -4.562
40 HE1 TRP 8 HE1 TRP 8 -8.400 0.619 -3.202
41 HE3 TRP 8 HE3 TRP 8 -6.176 -2.836 -6.563
42 HZ2 TRP 8 HZ2 TRP 8 -9.532 -1.998 -2.995
43 HZ3 TRP 8 HZ3 TRP 8 -7.634 -4.674 -5.768
44 HH2 TRP 8 HH2 TRP 8 -9.310 -4.262 -3.988
45 H TRP 9 H TRP 9 -1.554 0.059 -4.798
46 HA TRP 9 HA TRP 9 -0.650 -1.644 -7.073
47 1HB TRP 9 2HB TRP 9 0.656 -0.105 -4.821
48 2HB TRP 9 1HB TRP 9 1.577 -1.260 -5.783
49 HD1 TRP 9 HD1 TRP 9 -1.180 0.816 -7.401
50 HE1 TRP 9 HE1 TRP 9 -0.121 2.467 -9.064
51 HE3 TRP 9 HE3 TRP 9 3.765 0.101 -6.334
52 HZ2 TRP 9 HZ2 TRP 9 2.466 3.374 -9.837
53 HZ3 TRP 9 HZ3 TRP 9 5.504 1.377 -7.556
54 HH2 TRP 9 HH2 TRP 9 4.861 3.007 -9.306
55 H LYS 10 H LYS 10 0.701 -3.617 -6.445
56 HA LYS 10 HA LYS 10 -0.737 -5.129 -4.336
57 1HB LYS 10 2HB LYS 10 0.904 -5.670 -6.749
58 2HB LYS 10 1HB LYS 10 1.030 -6.863 -5.454
59 1HG LYS 10 2HG LYS 10 -0.994 -7.704 -5.961
60 2HG LYS 10 1HG LYS 10 -1.734 -6.110 -5.813
61 1HD LYS 10 2HD LYS 10 -1.031 -5.574 -8.124
62 2HD LYS 10 1HD LYS 10 -0.321 -7.182 -8.275
63 1HE LYS 10 2HE LYS 10 -3.210 -6.926 -7.458
64 2HE LYS 10 1HE LYS 10 -2.765 -6.787 -9.169
65 1HZ LYS 10 1HZ LYS 10 -1.482 -8.861 -8.925
66 2HZ LYS 10 2HZ LYS 10 -3.141 -9.092 -8.642
67 3HZ LYS 10 3HZ LYS 10 -2.057 -9.020 -7.338
68 H CYS 11 H CYS 11 0.182 -5.695 -2.397
69 HA CYS 11 HA CYS 11 3.119 -5.616 -2.079
70 1HB CYS 11 2HB CYS 11 2.972 -3.998 -0.238
71 2HB CYS 11 1HB CYS 11 2.248 -3.306 -1.688
72 H GLY 12 H GLY 12 3.798 -6.639 -0.021
73 1HA GLY 12 2HA GLY 12 1.915 -8.751 0.821
74 2HA GLY 12 1HA GLY 12 3.618 -8.637 1.271
75 H ARG 13 H ARG 13 3.971 -8.093 3.365
76 HA ARG 13 HA ARG 13 1.758 -6.960 4.990
77 1HB ARG 13 2HB ARG 13 4.463 -8.215 5.475
78 2HB ARG 13 1HB ARG 13 3.636 -7.365 6.777
79 1HG ARG 13 2HG ARG 13 2.718 -9.428 7.143
80 2HG ARG 13 1HG ARG 13 1.598 -8.897 5.892
81 1HD ARG 13 2HD ARG 13 2.367 -11.106 5.263
82 2HD ARG 13 1HD ARG 13 3.185 -9.956 4.189
83 HE ARG 13 HE ARG 13 4.584 -10.648 6.711
84 1HH1 ARG 13 1HH2 ARG 13 4.598 -13.064 4.982
85 2HH1 ARG 13 2HH2 ARG 13 6.003 -12.820 3.998
86 1HH2 ARG 13 1HH1 ARG 13 6.245 -9.432 4.720
87 2HH2 ARG 13 2HH1 ARG 13 6.938 -10.759 3.850
88 H GLY 14 H GLY 14 3.242 -5.286 2.946
89 1HA GLY 14 2HA GLY 14 3.544 -2.881 3.128
90 2HA GLY 14 1HA GLY 14 4.076 -3.108 4.795
91 H LYS 15 H LYS 15 5.140 -4.963 1.954
92 HA LYS 15 HA LYS 15 7.936 -4.622 2.668
93 1HB LYS 15 2HB LYS 15 6.362 -6.359 1.137
94 2HB LYS 15 1HB LYS 15 7.408 -5.562 -0.038
95 1HG LYS 15 2HG LYS 15 8.894 -6.277 2.351
96 2HG LYS 15 1HG LYS 15 8.112 -7.690 1.644
97 1HD LYS 15 2HD LYS 15 9.603 -7.734 -0.038
98 2HD LYS 15 1HD LYS 15 9.236 -6.061 -0.454
99 1HE LYS 15 2HE LYS 15 11.010 -6.688 1.911
100 2HE LYS 15 1HE LYS 15 11.678 -6.612 0.269
101 1HZ LYS 15 1HZ LYS 15 10.156 -4.491 1.691
102 2HZ LYS 15 2HZ LYS 15 10.514 -4.433 0.030
103 3HZ LYS 15 3HZ LYS 15 11.769 -4.424 1.174
104 HA PRO 16 HA PRO 16 8.143 -1.858 -1.213
105 1HB PRO 16 2HB PRO 16 5.825 -1.253 -2.537
106 2HB PRO 16 1HB PRO 16 6.805 -2.682 -2.914
107 1HG PRO 16 2HG PRO 16 4.291 -2.472 -1.350
108 2HG PRO 16 1HG PRO 16 4.843 -3.754 -2.436
109 1HD PRO 16 2HD PRO 16 4.946 -3.895 0.307
110 2HD PRO 16 1HD PRO 16 5.989 -4.827 -0.786
111 HA PRO 17 HA PRO 17 6.941 1.556 1.374
112 1HB PRO 17 2HB PRO 17 8.338 3.517 0.074
113 2HB PRO 17 1HB PRO 17 9.109 2.330 1.142
114 1HG PRO 17 2HG PRO 17 8.963 2.389 -1.831
115 2HG PRO 17 1HG PRO 17 10.308 1.922 -0.778
116 1HD PRO 17 2HD PRO 17 8.698 0.119 -2.036
117 2HD PRO 17 1HD PRO 17 9.518 -0.214 -0.495
118 H CYS 18 H CYS 18 4.756 2.023 0.997
119 HA CYS 18 HA CYS 18 3.740 2.893 -1.589
120 1HB CYS 18 2HB CYS 18 2.587 2.889 1.224
121 2HB CYS 18 1HB CYS 18 1.652 3.240 -0.229
122 H CYS 19 H CYS 19 2.358 5.068 -1.524
123 HA CYS 19 HA CYS 19 4.262 7.233 -0.976
124 1HB CYS 19 2HB CYS 19 1.401 7.596 -1.843
125 2HB CYS 19 1HB CYS 19 2.823 8.512 -2.327
126 H LYS 20 H LYS 20 3.609 9.180 0.288
127 HA LYS 20 HA LYS 20 2.850 8.630 2.940
128 1HB LYS 20 2HB LYS 20 4.013 10.667 1.775
129 2HB LYS 20 1HB LYS 20 2.372 11.296 1.622
130 1HG LYS 20 2HG LYS 20 2.270 10.596 4.201
131 2HG LYS 20 1HG LYS 20 4.012 10.849 4.078
132 1HD LYS 20 2HD LYS 20 3.731 13.114 3.373
133 2HD LYS 20 1HD LYS 20 2.003 12.885 3.092
134 1HE LYS 20 2HE LYS 20 1.766 12.392 5.579
135 2HE LYS 20 1HE LYS 20 3.440 12.952 5.763
136 1HZ LYS 20 1HZ LYS 20 2.013 14.829 6.045
137 2HZ LYS 20 2HZ LYS 20 1.156 14.473 4.623
138 3HZ LYS 20 3HZ LYS 20 2.772 14.992 4.538
139 H GLY 21 H GLY 21 0.864 8.181 3.823
140 1HA GLY 21 2HA GLY 21 -1.478 8.729 4.196
141 2HA GLY 21 1HA GLY 21 -1.568 9.332 2.543
142 H TYR 22 H TYR 22 0.044 6.773 1.775
143 HA TYR 22 HA TYR 22 -2.359 5.081 1.358
144 1HB TYR 22 2HB TYR 22 0.471 5.082 0.259
145 2HB TYR 22 1HB TYR 22 -0.774 3.940 -0.240
146 HD1 TYR 22 HD1 TYR 22 -2.345 4.518 -1.904
147 HD2 TYR 22 HD2 TYR 22 -0.027 7.602 -0.014
148 HE1 TYR 22 HE1 TYR 22 -3.223 6.179 -3.522
149 HE2 TYR 22 HE2 TYR 22 -0.909 9.257 -1.631
150 HH TYR 22 HH TYR 22 -3.486 9.014 -3.287
151 H ALA 23 H ALA 23 -2.521 2.978 2.187
152 HA ALA 23 HA ALA 23 -0.305 2.049 3.993
153 1HB ALA 23 1HB ALA 23 -3.203 1.390 4.437
154 2HB ALA 23 2HB ALA 23 -2.610 2.988 4.888
155 3HB ALA 23 3HB ALA 23 -1.906 1.547 5.620
156 H CYS 24 H CYS 24 0.258 -0.126 3.788
157 HA CYS 24 HA CYS 24 -0.861 -1.599 1.477
158 1HB CYS 24 2HB CYS 24 1.531 -1.505 1.701
159 2HB CYS 24 1HB CYS 24 1.452 -2.004 3.390
160 H SER 25 H SER 25 -1.542 -3.861 1.727
161 HA SER 25 HA SER 25 -2.476 -4.595 4.467
162 1HB SER 25 2HB SER 25 -4.010 -4.012 1.992
163 2HB SER 25 1HB SER 25 -4.560 -5.388 2.947
164 HG SER 25 HG SER 25 -4.553 -2.676 3.533
165 H LYS 26 H LYS 26 -1.787 -6.633 4.927
166 HA LYS 26 HA LYS 26 -0.753 -8.409 2.857
167 1HB LYS 26 2HB LYS 26 -0.168 -9.797 4.742
168 2HB LYS 26 1HB LYS 26 0.093 -8.125 5.229
169 1HG LYS 26 2HG LYS 26 -2.228 -8.161 6.245
170 2HG LYS 26 1HG LYS 26 -2.258 -9.897 5.940
171 1HD LYS 26 2HD LYS 26 -1.278 -10.108 7.968
172 2HD LYS 26 1HD LYS 26 0.191 -9.539 7.177
173 1HE LYS 26 2HE LYS 26 -1.596 -7.332 7.920
174 2HE LYS 26 1HE LYS 26 -1.051 -8.280 9.317
175 1HZ LYS 26 1HZ LYS 26 0.574 -6.578 8.742
176 2HZ LYS 26 2HZ LYS 26 0.699 -7.203 7.167
177 3HZ LYS 26 3HZ LYS 26 1.219 -8.127 8.496
178 H THR 27 H THR 27 -3.712 -8.207 4.795
179 HA THR 27 HA THR 27 -4.817 -10.770 4.013
180 HB THR 27 HB THR 27 -6.264 -8.239 4.869
181 HG1 THR 27 HG1 THR 27 -5.438 -8.508 6.771
182 1HG2 THR 27 1HG2 THR 27 -7.776 -9.991 4.180
183 2HG2 THR 27 2HG2 THR 27 -7.789 -9.933 5.943
184 3HG2 THR 27 3HG2 THR 27 -6.882 -11.194 5.109
185 H TRP 28 H TRP 28 -5.077 -7.461 2.769
186 HA TRP 28 HA TRP 28 -6.987 -8.156 0.655
187 1HB TRP 28 2HB TRP 28 -5.231 -5.722 1.141
188 2HB TRP 28 1HB TRP 28 -6.578 -5.792 0.015
189 HD1 TRP 28 HD1 TRP 28 -7.811 -7.744 2.742
190 HE1 TRP 28 HE1 TRP 28 -9.182 -6.347 4.415
191 HE3 TRP 28 HE3 TRP 28 -6.404 -3.041 1.334
192 HZ2 TRP 28 HZ2 TRP 28 -9.633 -3.604 5.068
193 HZ3 TRP 28 HZ3 TRP 28 -7.323 -1.056 2.497
194 HH2 TRP 28 HH2 TRP 28 -8.934 -1.332 4.361
195 H GLY 29 H GLY 29 -3.496 -7.484 0.902
196 1HA GLY 29 2HA GLY 29 -1.817 -8.529 -0.457
197 2HA GLY 29 1HA GLY 29 -3.060 -8.944 -1.636
198 H TRP 30 H TRP 30 -3.186 -5.669 -0.484
199 HA TRP 30 HA TRP 30 -1.440 -4.678 -2.660
200 1HB TRP 30 2HB TRP 30 -3.209 -3.623 -3.877
201 2HB TRP 30 1HB TRP 30 -3.753 -5.267 -3.568
202 HD1 TRP 30 HD1 TRP 30 -4.103 -1.760 -1.963
203 HE1 TRP 30 HE1 TRP 30 -6.450 -1.591 -0.931
204 HE3 TRP 30 HE3 TRP 30 -5.831 -6.465 -2.932
205 HZ2 TRP 30 HZ2 TRP 30 -8.770 -3.230 -0.566
206 HZ3 TRP 30 HZ3 TRP 30 -8.114 -7.133 -2.237
207 HH2 TRP 30 HH2 TRP 30 -9.583 -5.521 -1.055
208 H CYS 31 H CYS 31 -1.710 -2.131 -2.712
209 HA CYS 31 HA CYS 31 -1.919 -1.123 0.108
210 1HB CYS 31 2HB CYS 31 0.418 -1.509 -0.816
211 2HB CYS 31 1HB CYS 31 0.068 -0.275 -2.025
212 H ALA 32 H ALA 32 -3.307 0.588 0.280
213 HA ALA 32 HA ALA 32 -3.654 2.472 -1.992
214 1HB ALA 32 1HB ALA 32 -6.105 1.314 -0.694
215 2HB ALA 32 2HB ALA 32 -5.278 0.368 -1.930
216 3HB ALA 32 3HB ALA 32 -5.911 1.966 -2.321
217 H VAL 33 H VAL 33 -5.218 4.309 -1.223
218 HA VAL 33 HA VAL 33 -4.210 5.531 1.146
219 HB VAL 33 HB VAL 33 -6.808 5.937 -0.381
220 1HG1 VAL 33 1HG1 VAL 33 -6.560 8.299 0.594
221 2HG1 VAL 33 2HG1 VAL 33 -5.411 7.592 1.730
222 3HG1 VAL 33 3HG1 VAL 33 -7.086 7.042 1.714
223 1HG2 VAL 33 1HG2 VAL 33 -5.566 7.726 -1.519
224 2HG2 VAL 33 2HG2 VAL 33 -4.725 6.190 -1.720
225 3HG2 VAL 33 3HG2 VAL 33 -4.136 7.371 -0.550
226 H GLU 34 H GLU 34 -4.893 5.461 3.287
227 HA GLU 34 HA GLU 34 -6.766 3.323 4.057
228 1HB GLU 34 2HB GLU 34 -4.535 4.762 5.157
229 2HB GLU 34 1HB GLU 34 -5.897 4.923 6.264
230 1HG GLU 34 2HG GLU 34 -5.032 2.266 5.100
231 2HG GLU 34 1HG GLU 34 -4.435 2.877 6.641
232 H ALA 35 H ALA 35 -8.595 4.581 2.910
233 HA ALA 35 HA ALA 35 -9.607 7.034 4.072
234 1HB ALA 35 1HB ALA 35 -10.214 5.185 1.935
235 2HB ALA 35 2HB ALA 35 -10.719 6.865 2.112
236 3HB ALA 35 3HB ALA 35 -11.693 5.574 2.816
237 HA PRO 36 HA PRO 36 -12.682 4.190 6.382
238 1HB PRO 36 2HB PRO 36 -12.272 1.485 6.342
239 2HB PRO 36 1HB PRO 36 -13.255 2.333 5.132
240 1HG PRO 36 2HG PRO 36 -10.465 1.331 4.936
241 2HG PRO 36 1HG PRO 36 -11.742 1.367 3.711
242 1HD PRO 36 2HD PRO 36 -9.669 3.152 3.819
243 2HD PRO 36 1HD PRO 36 -11.243 3.496 3.071
Start of MODEL 2
1 1H ASP 1 1H ASP 1 7.894 6.474 -9.155
2 2H ASP 1 2H ASP 1 9.398 5.709 -8.961
3 3H ASP 1 3H ASP 1 8.844 6.115 -10.514
4 HA ASP 1 HA ASP 1 10.529 7.699 -9.817
5 1HB ASP 1 2HB ASP 1 8.487 8.264 -11.210
6 2HB ASP 1 1HB ASP 1 7.724 8.857 -9.735
7 H GLY 2 H GLY 2 11.427 7.479 -7.712
8 1HA GLY 2 2HA GLY 2 11.700 8.929 -5.705
9 2HA GLY 2 1HA GLY 2 9.942 8.917 -5.546
10 H GLU 3 H GLU 3 9.668 7.870 -3.596
11 HA GLU 3 HA GLU 3 10.493 5.010 -3.480
12 1HB GLU 3 2HB GLU 3 11.389 5.400 -1.181
13 2HB GLU 3 1HB GLU 3 12.279 6.308 -2.400
14 1HG GLU 3 2HG GLU 3 10.637 8.248 -1.858
15 2HG GLU 3 1HG GLU 3 10.268 7.331 -0.397
16 H CYS 4 H CYS 4 7.928 5.801 -3.998
17 HA CYS 4 HA CYS 4 6.496 4.970 -1.530
18 1HB CYS 4 2HB CYS 4 5.624 7.024 -1.158
19 2HB CYS 4 1HB CYS 4 6.753 7.648 -2.354
20 H GLY 5 H GLY 5 4.365 4.100 -2.024
21 1HA GLY 5 2HA GLY 5 4.204 2.868 -4.658
22 2HA GLY 5 1HA GLY 5 3.066 2.633 -3.334
23 H GLY 6 H GLY 6 1.157 3.005 -4.483
24 1HA GLY 6 2HA GLY 6 0.697 5.826 -5.295
25 2HA GLY 6 1HA GLY 6 0.331 4.556 -6.460
26 H PHE 7 H PHE 7 -1.928 5.076 -6.425
27 HA PHE 7 HA PHE 7 -3.464 5.069 -3.946
28 1HB PHE 7 2HB PHE 7 -3.990 6.334 -6.058
29 2HB PHE 7 1HB PHE 7 -4.363 4.794 -6.833
30 HD1 PHE 7 HD1 PHE 7 -6.370 3.547 -6.270
31 HD2 PHE 7 HD2 PHE 7 -5.401 7.201 -4.228
32 HE1 PHE 7 HE1 PHE 7 -8.654 3.616 -5.307
33 HE2 PHE 7 HE2 PHE 7 -7.686 7.268 -3.267
34 HZ PHE 7 HZ PHE 7 -9.312 5.475 -3.805
35 H TRP 8 H TRP 8 -2.626 2.643 -6.378
36 HA TRP 8 HA TRP 8 -3.741 0.536 -4.623
37 1HB TRP 8 2HB TRP 8 -5.416 1.618 -6.405
38 2HB TRP 8 1HB TRP 8 -4.597 0.499 -7.494
39 HD1 TRP 8 HD1 TRP 8 -6.646 0.531 -4.238
40 HE1 TRP 8 HE1 TRP 8 -7.711 -1.796 -3.924
41 HE3 TRP 8 HE3 TRP 8 -4.482 -1.965 -8.134
42 HZ2 TRP 8 HZ2 TRP 8 -7.654 -4.374 -5.162
43 HZ3 TRP 8 HZ3 TRP 8 -5.004 -4.352 -8.543
44 HH2 TRP 8 HH2 TRP 8 -6.586 -5.558 -7.063
45 H TRP 9 H TRP 9 -1.217 0.438 -4.721
46 HA TRP 9 HA TRP 9 -0.207 -0.926 -7.177
47 1HB TRP 9 2HB TRP 9 1.046 0.322 -4.713
48 2HB TRP 9 1HB TRP 9 1.994 -0.601 -5.875
49 HD1 TRP 9 HD1 TRP 9 -0.867 1.558 -7.144
50 HE1 TRP 9 HE1 TRP 9 0.097 3.552 -8.453
51 HE3 TRP 9 HE3 TRP 9 4.100 0.994 -6.091
52 HZ2 TRP 9 HZ2 TRP 9 2.619 4.758 -8.972
53 HZ3 TRP 9 HZ3 TRP 9 5.762 2.584 -7.013
54 HH2 TRP 9 HH2 TRP 9 5.030 4.464 -8.455
55 H LYS 10 H LYS 10 1.455 -2.794 -6.540
56 HA LYS 10 HA LYS 10 -0.070 -4.730 -4.899
57 1HB LYS 10 2HB LYS 10 2.001 -4.737 -7.009
58 2HB LYS 10 1HB LYS 10 2.175 -6.012 -5.803
59 1HG LYS 10 2HG LYS 10 0.733 -7.049 -7.298
60 2HG LYS 10 1HG LYS 10 -0.425 -6.307 -6.194
61 1HD LYS 10 2HD LYS 10 -1.303 -5.160 -7.919
62 2HD LYS 10 1HD LYS 10 0.244 -4.340 -8.136
63 1HE LYS 10 2HE LYS 10 -0.174 -7.118 -9.250
64 2HE LYS 10 1HE LYS 10 -0.698 -5.686 -10.158
65 1HZ LYS 10 1HZ LYS 10 1.592 -6.220 -10.698
66 2HZ LYS 10 2HZ LYS 10 2.026 -6.155 -9.056
67 3HZ LYS 10 3HZ LYS 10 1.525 -4.745 -9.864
68 H CYS 11 H CYS 11 0.629 -5.511 -2.919
69 HA CYS 11 HA CYS 11 3.378 -4.911 -2.000
70 1HB CYS 11 2HB CYS 11 2.128 -2.918 -1.427
71 2HB CYS 11 1HB CYS 11 0.821 -3.880 -0.741
72 H GLY 12 H GLY 12 3.870 -6.080 0.037
73 1HA GLY 12 2HA GLY 12 2.216 -8.547 0.297
74 2HA GLY 12 1HA GLY 12 3.914 -8.418 0.754
75 H ARG 13 H ARG 13 4.181 -8.411 2.930
76 HA ARG 13 HA ARG 13 1.951 -7.571 4.697
77 1HB ARG 13 2HB ARG 13 4.122 -9.436 4.729
78 2HB ARG 13 1HB ARG 13 4.353 -8.332 6.084
79 1HG ARG 13 2HG ARG 13 1.606 -9.415 5.602
80 2HG ARG 13 1HG ARG 13 2.809 -10.487 6.317
81 1HD ARG 13 2HD ARG 13 2.897 -7.865 7.581
82 2HD ARG 13 1HD ARG 13 1.277 -8.575 7.691
83 HE ARG 13 HE ARG 13 3.371 -10.520 8.255
84 1HH1 ARG 13 1HH2 ARG 13 4.098 -8.466 10.209
85 2HH1 ARG 13 2HH2 ARG 13 3.037 -8.782 11.543
86 1HH2 ARG 13 1HH1 ARG 13 0.843 -10.728 9.682
87 2HH2 ARG 13 2HH1 ARG 13 1.192 -10.065 11.244
88 H GLY 14 H GLY 14 3.282 -5.461 3.163
89 1HA GLY 14 2HA GLY 14 3.706 -3.194 3.813
90 2HA GLY 14 1HA GLY 14 4.152 -3.762 5.422
91 H LYS 15 H LYS 15 5.411 -5.118 2.394
92 HA LYS 15 HA LYS 15 8.154 -4.740 3.318
93 1HB LYS 15 2HB LYS 15 6.734 -6.391 1.522
94 2HB LYS 15 1HB LYS 15 7.878 -5.487 0.532
95 1HG LYS 15 2HG LYS 15 8.982 -7.501 1.289
96 2HG LYS 15 1HG LYS 15 9.690 -6.136 2.154
97 1HD LYS 15 2HD LYS 15 8.041 -6.611 4.030
98 2HD LYS 15 1HD LYS 15 7.642 -8.111 3.191
99 1HE LYS 15 2HE LYS 15 9.332 -8.867 4.610
100 2HE LYS 15 1HE LYS 15 10.304 -8.400 3.201
101 1HZ LYS 15 1HZ LYS 15 9.730 -6.766 5.615
102 2HZ LYS 15 2HZ LYS 15 10.424 -6.129 4.200
103 3HZ LYS 15 3HZ LYS 15 11.243 -7.324 5.088
104 HA PRO 16 HA PRO 16 8.415 -1.652 -0.306
105 1HB PRO 16 2HB PRO 16 6.161 -1.112 -1.761
106 2HB PRO 16 1HB PRO 16 7.270 -2.440 -2.161
107 1HG PRO 16 2HG PRO 16 4.639 -2.519 -0.785
108 2HG PRO 16 1HG PRO 16 5.360 -3.675 -1.914
109 1HD PRO 16 2HD PRO 16 5.277 -4.016 0.812
110 2HD PRO 16 1HD PRO 16 6.460 -4.790 -0.260
111 HA PRO 17 HA PRO 17 6.753 1.447 2.429
112 1HB PRO 17 2HB PRO 17 8.155 3.582 1.439
113 2HB PRO 17 1HB PRO 17 8.881 2.352 2.493
114 1HG PRO 17 2HG PRO 17 9.046 2.644 -0.466
115 2HG PRO 17 1HG PRO 17 10.296 2.160 0.693
116 1HD PRO 17 2HD PRO 17 8.937 0.392 -0.870
117 2HD PRO 17 1HD PRO 17 9.610 -0.024 0.721
118 H CYS 18 H CYS 18 4.598 1.793 1.854
119 HA CYS 18 HA CYS 18 3.758 2.788 -0.741
120 1HB CYS 18 2HB CYS 18 2.410 2.518 1.967
121 2HB CYS 18 1HB CYS 18 1.554 2.979 0.494
122 H CYS 19 H CYS 19 2.508 4.904 -0.934
123 HA CYS 19 HA CYS 19 4.129 7.130 -0.082
124 1HB CYS 19 2HB CYS 19 2.031 6.560 -1.896
125 2HB CYS 19 1HB CYS 19 1.446 7.868 -0.868
126 H LYS 20 H LYS 20 3.489 8.876 1.358
127 HA LYS 20 HA LYS 20 2.612 8.161 3.914
128 1HB LYS 20 2HB LYS 20 3.522 10.426 2.559
129 2HB LYS 20 1HB LYS 20 1.946 10.909 3.187
130 1HG LYS 20 2HG LYS 20 2.577 10.565 5.411
131 2HG LYS 20 1HG LYS 20 3.874 9.452 4.973
132 1HD LYS 20 2HD LYS 20 5.065 11.403 3.894
133 2HD LYS 20 1HD LYS 20 3.838 12.458 4.595
134 1HE LYS 20 2HE LYS 20 5.130 10.542 6.475
135 2HE LYS 20 1HE LYS 20 6.138 11.879 5.891
136 1HZ LYS 20 1HZ LYS 20 4.375 13.425 6.470
137 2HZ LYS 20 2HZ LYS 20 4.849 12.539 7.839
138 3HZ LYS 20 3HZ LYS 20 3.404 12.152 7.032
139 H GLY 21 H GLY 21 0.620 7.715 4.769
140 1HA GLY 21 2HA GLY 21 -1.726 8.180 5.125
141 2HA GLY 21 1HA GLY 21 -1.800 8.900 3.519
142 H TYR 22 H TYR 22 -0.200 6.423 2.533
143 HA TYR 22 HA TYR 22 -2.603 4.795 1.950
144 1HB TYR 22 2HB TYR 22 0.283 4.652 1.013
145 2HB TYR 22 1HB TYR 22 -1.045 3.713 0.341
146 HD1 TYR 22 HD1 TYR 22 0.399 5.245 -1.557
147 HD2 TYR 22 HD2 TYR 22 -2.698 6.597 1.097
148 HE1 TYR 22 HE1 TYR 22 -0.125 7.106 -3.109
149 HE2 TYR 22 HE2 TYR 22 -3.215 8.455 -0.454
150 HH TYR 22 HH TYR 22 -2.714 8.649 -3.318
151 H ALA 23 H ALA 23 -2.728 2.545 2.419
152 HA ALA 23 HA ALA 23 -0.778 1.524 4.462
153 1HB ALA 23 1HB ALA 23 -2.747 0.466 5.528
154 2HB ALA 23 2HB ALA 23 -3.786 1.130 4.265
155 3HB ALA 23 3HB ALA 23 -2.975 2.211 5.397
156 H CYS 24 H CYS 24 -0.116 -0.629 4.155
157 HA CYS 24 HA CYS 24 -0.737 -1.838 1.527
158 1HB CYS 24 2HB CYS 24 1.566 -1.716 2.232
159 2HB CYS 24 1HB CYS 24 1.185 -2.446 3.790
160 H SER 25 H SER 25 -1.350 -4.121 1.373
161 HA SER 25 HA SER 25 -2.731 -5.239 3.779
162 1HB SER 25 2HB SER 25 -3.865 -4.923 0.981
163 2HB SER 25 1HB SER 25 -4.681 -5.713 2.328
164 HG SER 25 HG SER 25 -4.366 -3.053 1.763
165 H LYS 26 H LYS 26 -1.499 -7.098 4.052
166 HA LYS 26 HA LYS 26 -0.370 -8.596 1.831
167 1HB LYS 26 2HB LYS 26 0.238 -10.184 3.645
168 2HB LYS 26 1HB LYS 26 0.644 -8.524 4.063
169 1HG LYS 26 2HG LYS 26 -0.471 -8.927 5.991
170 2HG LYS 26 1HG LYS 26 -1.932 -8.753 5.021
171 1HD LYS 26 2HD LYS 26 -2.053 -11.136 4.646
172 2HD LYS 26 1HD LYS 26 -0.471 -11.382 5.388
173 1HE LYS 26 2HE LYS 26 -2.636 -10.048 6.995
174 2HE LYS 26 1HE LYS 26 -2.639 -11.814 6.825
175 1HZ LYS 26 1HZ LYS 26 -0.317 -10.169 7.695
176 2HZ LYS 26 2HZ LYS 26 -0.331 -11.861 7.529
177 3HZ LYS 26 3HZ LYS 26 -1.285 -11.114 8.718
178 H THR 27 H THR 27 -3.310 -8.860 3.778
179 HA THR 27 HA THR 27 -4.122 -11.480 2.859
180 HB THR 27 HB THR 27 -5.876 -9.183 3.783
181 HG1 THR 27 HG1 THR 27 -4.903 -9.321 5.620
182 1HG2 THR 27 1HG2 THR 27 -6.798 -11.459 2.912
183 2HG2 THR 27 2HG2 THR 27 -7.408 -10.840 4.445
184 3HG2 THR 27 3HG2 THR 27 -6.185 -12.109 4.432
185 H TRP 28 H TRP 28 -4.688 -8.176 1.706
186 HA TRP 28 HA TRP 28 -6.500 -9.041 -0.447
187 1HB TRP 28 2HB TRP 28 -5.145 -6.393 0.183
188 2HB TRP 28 1HB TRP 28 -6.452 -6.615 -0.971
189 HD1 TRP 28 HD1 TRP 28 -7.540 -8.881 1.485
190 HE1 TRP 28 HE1 TRP 28 -9.082 -7.814 3.252
191 HE3 TRP 28 HE3 TRP 28 -6.517 -3.941 0.687
192 HZ2 TRP 28 HZ2 TRP 28 -9.799 -5.213 4.193
193 HZ3 TRP 28 HZ3 TRP 28 -7.645 -2.192 2.032
194 HH2 TRP 28 HH2 TRP 28 -9.283 -2.822 3.783
195 H GLY 29 H GLY 29 -3.139 -7.898 -0.112
196 1HA GLY 29 2HA GLY 29 -1.366 -8.785 -1.522
197 2HA GLY 29 1HA GLY 29 -2.555 -9.050 -2.794
198 H TRP 30 H TRP 30 -2.859 -5.972 -1.215
199 HA TRP 30 HA TRP 30 -1.033 -4.649 -3.133
200 1HB TRP 30 2HB TRP 30 -2.764 -3.514 -4.323
201 2HB TRP 30 1HB TRP 30 -3.264 -5.198 -4.247
202 HD1 TRP 30 HD1 TRP 30 -3.836 -1.927 -2.253
203 HE1 TRP 30 HE1 TRP 30 -6.250 -1.939 -1.382
204 HE3 TRP 30 HE3 TRP 30 -5.350 -6.515 -3.909
205 HZ2 TRP 30 HZ2 TRP 30 -8.538 -3.654 -1.388
206 HZ3 TRP 30 HZ3 TRP 30 -7.656 -7.308 -3.468
207 HH2 TRP 30 HH2 TRP 30 -9.249 -5.884 -2.210
208 H CYS 31 H CYS 31 -1.397 -2.132 -2.898
209 HA CYS 31 HA CYS 31 -1.840 -1.459 -0.005
210 1HB CYS 31 2HB CYS 31 0.578 -1.637 -0.831
211 2HB CYS 31 1HB CYS 31 0.234 -0.243 -1.855
212 H ALA 32 H ALA 32 -3.368 0.130 0.213
213 HA ALA 32 HA ALA 32 -3.714 2.129 -1.989
214 1HB ALA 32 1HB ALA 32 -6.190 1.750 -1.740
215 2HB ALA 32 2HB ALA 32 -5.831 0.403 -0.661
216 3HB ALA 32 3HB ALA 32 -5.328 0.338 -2.351
217 H VAL 33 H VAL 33 -5.426 3.841 -1.128
218 HA VAL 33 HA VAL 33 -4.328 5.041 1.263
219 HB VAL 33 HB VAL 33 -6.947 5.646 -0.150
220 1HG1 VAL 33 1HG1 VAL 33 -6.857 7.005 1.752
221 2HG1 VAL 33 2HG1 VAL 33 -6.085 8.027 0.540
222 3HG1 VAL 33 3HG1 VAL 33 -5.099 7.134 1.698
223 1HG2 VAL 33 1HG2 VAL 33 -5.648 5.962 -1.991
224 2HG2 VAL 33 2HG2 VAL 33 -4.155 5.897 -1.057
225 3HG2 VAL 33 3HG2 VAL 33 -5.070 7.402 -1.156
226 H GLU 34 H GLU 34 -5.076 4.939 3.377
227 HA GLU 34 HA GLU 34 -7.247 2.994 3.962
228 1HB GLU 34 2HB GLU 34 -6.335 3.188 6.273
229 2HB GLU 34 1HB GLU 34 -5.081 2.790 5.101
230 1HG GLU 34 2HG GLU 34 -3.982 4.747 5.439
231 2HG GLU 34 1HG GLU 34 -5.474 5.685 5.467
232 H ALA 35 H ALA 35 -8.383 5.212 2.834
233 HA ALA 35 HA ALA 35 -9.139 7.192 4.876
234 1HB ALA 35 1HB ALA 35 -8.909 7.164 2.147
235 2HB ALA 35 2HB ALA 35 -9.834 8.370 3.039
236 3HB ALA 35 3HB ALA 35 -10.651 6.974 2.338
237 HA PRO 36 HA PRO 36 -12.416 4.424 6.208
238 1HB PRO 36 2HB PRO 36 -13.269 5.993 8.285
239 2HB PRO 36 1HB PRO 36 -11.844 4.940 8.387
240 1HG PRO 36 2HG PRO 36 -11.999 7.877 7.929
241 2HG PRO 36 1HG PRO 36 -10.844 6.943 8.894
242 1HD PRO 36 2HD PRO 36 -10.282 7.911 6.412
243 2HD PRO 36 1HD PRO 36 -9.532 6.448 7.083
Start of MODEL 3
1 1H ASP 1 1H ASP 1 15.033 5.087 -3.077
2 2H ASP 1 2H ASP 1 16.183 5.154 -1.830
3 3H ASP 1 3H ASP 1 14.555 5.519 -1.507
4 HA ASP 1 HA ASP 1 15.531 2.844 -2.389
5 1HB ASP 1 2HB ASP 1 16.268 3.892 -0.113
6 2HB ASP 1 1HB ASP 1 14.591 3.644 0.368
7 H GLY 2 H GLY 2 13.557 3.350 -3.894
8 1HA GLY 2 2HA GLY 2 11.418 2.368 -4.336
9 2HA GLY 2 1HA GLY 2 11.163 2.194 -2.599
10 H GLU 3 H GLU 3 9.938 3.761 -5.149
11 HA GLU 3 HA GLU 3 9.667 6.473 -4.027
12 1HB GLU 3 2HB GLU 3 9.510 5.219 -6.537
13 2HB GLU 3 1HB GLU 3 7.861 5.742 -6.193
14 1HG GLU 3 2HG GLU 3 9.018 7.989 -5.475
15 2HG GLU 3 1HG GLU 3 10.353 7.400 -6.465
16 H CYS 4 H CYS 4 7.018 7.082 -4.521
17 HA CYS 4 HA CYS 4 5.667 5.700 -2.281
18 1HB CYS 4 2HB CYS 4 4.727 7.739 -2.029
19 2HB CYS 4 1HB CYS 4 5.771 8.300 -3.329
20 H GLY 5 H GLY 5 3.634 4.643 -2.518
21 1HA GLY 5 2HA GLY 5 3.280 3.206 -5.018
22 2HA GLY 5 1HA GLY 5 2.288 3.027 -3.573
23 H GLY 6 H GLY 6 0.320 3.103 -4.761
24 1HA GLY 6 2HA GLY 6 -0.446 5.851 -5.623
25 2HA GLY 6 1HA GLY 6 -0.765 4.497 -6.706
26 H PHE 7 H PHE 7 -3.002 4.418 -6.619
27 HA PHE 7 HA PHE 7 -4.402 4.532 -4.012
28 1HB PHE 7 2HB PHE 7 -5.112 4.556 -6.932
29 2HB PHE 7 1HB PHE 7 -6.367 4.192 -5.745
30 HD1 PHE 7 HD1 PHE 7 -3.558 6.644 -6.245
31 HD2 PHE 7 HD2 PHE 7 -7.570 5.981 -4.864
32 HE1 PHE 7 HE1 PHE 7 -3.775 9.058 -5.725
33 HE2 PHE 7 HE2 PHE 7 -7.789 8.397 -4.346
34 HZ PHE 7 HZ PHE 7 -5.891 9.936 -4.776
35 H TRP 8 H TRP 8 -3.246 2.101 -6.231
36 HA TRP 8 HA TRP 8 -4.188 -0.044 -4.461
37 1HB TRP 8 2HB TRP 8 -6.130 0.643 -5.964
38 2HB TRP 8 1HB TRP 8 -5.175 0.072 -7.328
39 HD1 TRP 8 HD1 TRP 8 -4.240 -2.207 -4.726
40 HE1 TRP 8 HE1 TRP 8 -5.653 -4.362 -4.761
41 HE3 TRP 8 HE3 TRP 8 -8.096 -0.689 -7.711
42 HZ2 TRP 8 HZ2 TRP 8 -8.096 -5.315 -5.898
43 HZ3 TRP 8 HZ3 TRP 8 -9.951 -2.241 -8.253
44 HH2 TRP 8 HH2 TRP 8 -9.955 -4.549 -7.351
45 H TRP 9 H TRP 9 -1.633 0.262 -4.730
46 HA TRP 9 HA TRP 9 -0.584 -1.149 -7.141
47 1HB TRP 9 2HB TRP 9 0.624 0.408 -4.832
48 2HB TRP 9 1HB TRP 9 1.615 -0.434 -6.022
49 HD1 TRP 9 HD1 TRP 9 -1.606 1.248 -7.156
50 HE1 TRP 9 HE1 TRP 9 -1.025 3.281 -8.620
51 HE3 TRP 9 HE3 TRP 9 3.454 1.411 -6.478
52 HZ2 TRP 9 HZ2 TRP 9 1.267 4.785 -9.392
53 HZ3 TRP 9 HZ3 TRP 9 4.811 3.158 -7.595
54 HH2 TRP 9 HH2 TRP 9 3.724 4.842 -9.054
55 H LYS 10 H LYS 10 1.006 -2.961 -6.749
56 HA LYS 10 HA LYS 10 0.027 -4.735 -4.584
57 1HB LYS 10 2HB LYS 10 1.416 -4.943 -7.179
58 2HB LYS 10 1HB LYS 10 1.968 -6.096 -5.966
59 1HG LYS 10 2HG LYS 10 0.172 -7.209 -7.030
60 2HG LYS 10 1HG LYS 10 -0.538 -6.575 -5.547
61 1HD LYS 10 2HD LYS 10 -1.006 -4.466 -7.129
62 2HD LYS 10 1HD LYS 10 -0.967 -5.716 -8.372
63 1HE LYS 10 2HE LYS 10 -2.513 -6.884 -6.380
64 2HE LYS 10 1HE LYS 10 -3.025 -5.186 -6.350
65 1HZ LYS 10 1HZ LYS 10 -3.228 -5.260 -8.776
66 2HZ LYS 10 2HZ LYS 10 -4.254 -6.394 -8.037
67 3HZ LYS 10 3HZ LYS 10 -2.810 -6.904 -8.770
68 H CYS 11 H CYS 11 1.202 -5.214 -2.756
69 HA CYS 11 HA CYS 11 4.116 -4.737 -2.715
70 1HB CYS 11 2HB CYS 11 3.990 -3.172 -0.868
71 2HB CYS 11 1HB CYS 11 2.909 -2.590 -2.130
72 H GLY 12 H GLY 12 5.023 -5.482 -0.505
73 1HA GLY 12 2HA GLY 12 3.752 -8.047 0.189
74 2HA GLY 12 1HA GLY 12 5.325 -7.483 0.752
75 H ARG 13 H ARG 13 5.218 -7.427 2.957
76 HA ARG 13 HA ARG 13 2.714 -6.619 4.323
77 1HB ARG 13 2HB ARG 13 4.563 -8.514 4.828
78 2HB ARG 13 1HB ARG 13 5.271 -7.198 5.763
79 1HG ARG 13 2HG ARG 13 2.436 -7.266 6.243
80 2HG ARG 13 1HG ARG 13 3.103 -8.878 6.500
81 1HD ARG 13 2HD ARG 13 4.966 -7.626 7.852
82 2HD ARG 13 1HD ARG 13 3.777 -6.310 7.922
83 HE ARG 13 HE ARG 13 3.191 -9.098 8.856
84 1HH1 ARG 13 1HH2 ARG 13 3.939 -6.680 10.671
85 2HH1 ARG 13 2HH2 ARG 13 2.370 -6.253 11.266
86 1HH2 ARG 13 1HH1 ARG 13 0.665 -8.120 8.882
87 2HH2 ARG 13 2HH1 ARG 13 0.512 -7.070 10.251
88 H GLY 14 H GLY 14 3.535 -4.419 2.969
89 1HA GLY 14 2HA GLY 14 3.864 -2.125 3.424
90 2HA GLY 14 1HA GLY 14 4.240 -2.545 5.095
91 H LYS 15 H LYS 15 5.857 -3.911 2.241
92 HA LYS 15 HA LYS 15 8.473 -3.238 3.334
93 1HB LYS 15 2HB LYS 15 7.298 -4.806 1.138
94 2HB LYS 15 1HB LYS 15 8.861 -4.093 0.742
95 1HG LYS 15 2HG LYS 15 9.951 -5.544 2.079
96 2HG LYS 15 1HG LYS 15 8.863 -5.216 3.428
97 1HD LYS 15 2HD LYS 15 7.187 -6.669 1.929
98 2HD LYS 15 1HD LYS 15 8.708 -7.339 1.336
99 1HE LYS 15 2HE LYS 15 9.346 -7.577 3.849
100 2HE LYS 15 1HE LYS 15 7.606 -7.387 4.147
101 1HZ LYS 15 1HZ LYS 15 7.174 -9.155 2.548
102 2HZ LYS 15 2HZ LYS 15 8.175 -9.720 3.798
103 3HZ LYS 15 3HZ LYS 15 8.839 -9.350 2.279
104 HA PRO 16 HA PRO 16 8.746 -0.240 -0.367
105 1HB PRO 16 2HB PRO 16 6.562 0.066 -1.992
106 2HB PRO 16 1HB PRO 16 7.811 -1.165 -2.274
107 1HG PRO 16 2HG PRO 16 5.114 -1.452 -1.059
108 2HG PRO 16 1HG PRO 16 5.991 -2.552 -2.133
109 1HD PRO 16 2HD PRO 16 5.789 -2.902 0.575
110 2HD PRO 16 1HD PRO 16 7.130 -3.530 -0.405
111 HA PRO 17 HA PRO 17 6.676 2.865 2.033
112 1HB PRO 17 2HB PRO 17 7.703 5.081 0.793
113 2HB PRO 17 1HB PRO 17 8.632 4.088 1.931
114 1HG PRO 17 2HG PRO 17 8.702 4.125 -1.038
115 2HG PRO 17 1HG PRO 17 10.024 3.921 0.120
116 1HD PRO 17 2HD PRO 17 8.889 1.855 -1.259
117 2HD PRO 17 1HD PRO 17 9.670 1.673 0.327
118 H CYS 18 H CYS 18 4.466 2.792 1.489
119 HA CYS 18 HA CYS 18 3.432 3.465 -1.136
120 1HB CYS 18 2HB CYS 18 2.303 3.047 1.631
121 2HB CYS 18 1HB CYS 18 1.263 3.577 0.309
122 H CYS 19 H CYS 19 1.995 5.391 -1.530
123 HA CYS 19 HA CYS 19 3.268 7.860 -0.815
124 1HB CYS 19 2HB CYS 19 1.205 6.907 -2.527
125 2HB CYS 19 1HB CYS 19 0.512 8.218 -1.572
126 H LYS 20 H LYS 20 2.584 9.477 0.673
127 HA LYS 20 HA LYS 20 1.709 8.712 3.215
128 1HB LYS 20 2HB LYS 20 2.639 10.975 2.002
129 2HB LYS 20 1HB LYS 20 0.971 11.441 2.338
130 1HG LYS 20 2HG LYS 20 2.035 12.051 4.327
131 2HG LYS 20 1HG LYS 20 1.460 10.429 4.716
132 1HD LYS 20 2HD LYS 20 4.083 10.427 3.401
133 2HD LYS 20 1HD LYS 20 4.083 11.293 4.937
134 1HE LYS 20 2HE LYS 20 2.648 8.681 4.920
135 2HE LYS 20 1HE LYS 20 4.417 8.612 4.800
136 1HZ LYS 20 1HZ LYS 20 4.586 10.079 6.701
137 2HZ LYS 20 2HZ LYS 20 3.674 8.708 7.117
138 3HZ LYS 20 3HZ LYS 20 2.897 10.188 6.814
139 H GLY 21 H GLY 21 -0.264 8.095 3.996
140 1HA GLY 21 2HA GLY 21 -2.654 8.629 4.309
141 2HA GLY 21 1HA GLY 21 -2.719 9.087 2.608
142 H TYR 22 H TYR 22 -1.078 6.707 1.806
143 HA TYR 22 HA TYR 22 -3.318 4.757 1.765
144 1HB TYR 22 2HB TYR 22 -0.666 4.684 0.295
145 2HB TYR 22 1HB TYR 22 -2.149 3.839 -0.134
146 HD1 TYR 22 HD1 TYR 22 -3.987 6.301 0.541
147 HD2 TYR 22 HD2 TYR 22 -0.450 5.812 -1.846
148 HE1 TYR 22 HE1 TYR 22 -4.664 8.232 -0.855
149 HE2 TYR 22 HE2 TYR 22 -1.128 7.744 -3.242
150 HH TYR 22 HH TYR 22 -2.885 9.972 -2.564
151 H ALA 23 H ALA 23 -2.981 2.534 2.331
152 HA ALA 23 HA ALA 23 -0.553 1.979 4.014
153 1HB ALA 23 1HB ALA 23 -2.458 2.435 5.443
154 2HB ALA 23 2HB ALA 23 -2.181 0.693 5.466
155 3HB ALA 23 3HB ALA 23 -3.487 1.366 4.489
156 H CYS 24 H CYS 24 0.251 -0.166 3.853
157 HA CYS 24 HA CYS 24 -0.664 -1.684 1.473
158 1HB CYS 24 2HB CYS 24 1.770 -1.347 3.088
159 2HB CYS 24 1HB CYS 24 1.470 -3.024 2.636
160 H SER 25 H SER 25 -0.988 -4.041 1.650
161 HA SER 25 HA SER 25 -1.824 -4.973 4.363
162 1HB SER 25 2HB SER 25 -3.408 -4.457 1.958
163 2HB SER 25 1HB SER 25 -3.632 -6.089 2.580
164 HG SER 25 HG SER 25 -4.288 -3.633 3.693
165 H LYS 26 H LYS 26 -0.762 -6.850 4.800
166 HA LYS 26 HA LYS 26 0.655 -8.361 2.757
167 1HB LYS 26 2HB LYS 26 1.348 -8.069 5.142
168 2HB LYS 26 1HB LYS 26 -0.045 -9.028 5.637
169 1HG LYS 26 2HG LYS 26 1.251 -10.547 3.644
170 2HG LYS 26 1HG LYS 26 2.535 -9.929 4.684
171 1HD LYS 26 2HD LYS 26 1.002 -10.685 6.647
172 2HD LYS 26 1HD LYS 26 0.178 -11.653 5.427
173 1HE LYS 26 2HE LYS 26 1.892 -13.154 5.299
174 2HE LYS 26 1HE LYS 26 3.125 -11.878 5.345
175 1HZ LYS 26 1HZ LYS 26 1.505 -12.764 7.678
176 2HZ LYS 26 2HZ LYS 26 2.739 -11.595 7.695
177 3HZ LYS 26 3HZ LYS 26 3.113 -13.224 7.387
178 H THR 27 H THR 27 -2.298 -8.864 4.677
179 HA THR 27 HA THR 27 -2.963 -11.483 3.725
180 HB THR 27 HB THR 27 -4.850 -9.255 4.559
181 HG1 THR 27 HG1 THR 27 -3.816 -9.285 6.370
182 1HG2 THR 27 1HG2 THR 27 -4.956 -12.253 4.477
183 2HG2 THR 27 2HG2 THR 27 -6.178 -11.080 3.986
184 3HG2 THR 27 3HG2 THR 27 -5.888 -11.386 5.698
185 H TRP 28 H TRP 28 -3.774 -8.233 2.540
186 HA TRP 28 HA TRP 28 -5.432 -9.222 0.331
187 1HB TRP 28 2HB TRP 28 -4.216 -6.501 0.935
188 2HB TRP 28 1HB TRP 28 -5.486 -6.809 -0.239
189 HD1 TRP 28 HD1 TRP 28 -6.444 -9.055 2.334
190 HE1 TRP 28 HE1 TRP 28 -8.095 -8.016 4.014
191 HE3 TRP 28 HE3 TRP 28 -5.837 -4.101 1.234
192 HZ2 TRP 28 HZ2 TRP 28 -9.041 -5.437 4.788
193 HZ3 TRP 28 HZ3 TRP 28 -7.131 -2.378 2.459
194 HH2 TRP 28 HH2 TRP 28 -8.729 -3.042 4.233
195 H GLY 29 H GLY 29 -2.196 -7.732 0.666
196 1HA GLY 29 2HA GLY 29 -0.281 -8.465 -0.623
197 2HA GLY 29 1HA GLY 29 -1.380 -9.077 -1.855
198 H TRP 30 H TRP 30 -2.109 -5.894 -0.624
199 HA TRP 30 HA TRP 30 -0.541 -4.574 -2.763
200 1HB TRP 30 2HB TRP 30 -2.485 -3.774 -3.944
201 2HB TRP 30 1HB TRP 30 -2.670 -5.513 -3.751
202 HD1 TRP 30 HD1 TRP 30 -3.761 -2.280 -1.910
203 HE1 TRP 30 HE1 TRP 30 -6.107 -2.672 -0.939
204 HE3 TRP 30 HE3 TRP 30 -4.478 -7.151 -3.270
205 HZ2 TRP 30 HZ2 TRP 30 -8.047 -4.767 -0.763
206 HZ3 TRP 30 HZ3 TRP 30 -6.588 -8.317 -2.692
207 HH2 TRP 30 HH2 TRP 30 -8.371 -7.131 -1.442
208 H CYS 31 H CYS 31 -1.430 -2.112 -2.808
209 HA CYS 31 HA CYS 31 -1.688 -1.178 0.032
210 1HB CYS 31 2HB CYS 31 0.594 -1.000 -1.224
211 2HB CYS 31 1HB CYS 31 -0.192 0.274 -2.156
212 H ALA 32 H ALA 32 -3.506 0.067 0.280
213 HA ALA 32 HA ALA 32 -4.500 1.611 -2.091
214 1HB ALA 32 1HB ALA 32 -5.700 -0.561 -1.736
215 2HB ALA 32 2HB ALA 32 -6.754 0.843 -1.571
216 3HB ALA 32 3HB ALA 32 -6.169 0.005 -0.133
217 H VAL 33 H VAL 33 -6.279 3.218 -1.292
218 HA VAL 33 HA VAL 33 -5.113 4.881 0.797
219 HB VAL 33 HB VAL 33 -7.813 5.097 -0.580
220 1HG1 VAL 33 1HG1 VAL 33 -7.669 6.689 1.177
221 2HG1 VAL 33 2HG1 VAL 33 -7.227 7.585 -0.276
222 3HG1 VAL 33 3HG1 VAL 33 -5.975 7.033 0.836
223 1HG2 VAL 33 1HG2 VAL 33 -6.071 6.792 -1.907
224 2HG2 VAL 33 2HG2 VAL 33 -6.608 5.221 -2.502
225 3HG2 VAL 33 3HG2 VAL 33 -5.079 5.360 -1.635
226 H GLU 34 H GLU 34 -5.975 5.296 2.874
227 HA GLU 34 HA GLU 34 -7.477 3.138 4.129
228 1HB GLU 34 2HB GLU 34 -6.159 5.710 4.873
229 2HB GLU 34 1HB GLU 34 -7.384 5.098 5.984
230 1HG GLU 34 2HG GLU 34 -5.423 3.103 4.978
231 2HG GLU 34 1HG GLU 34 -4.792 4.323 6.086
232 H ALA 35 H ALA 35 -9.607 3.299 5.044
233 HA ALA 35 HA ALA 35 -11.556 4.746 3.494
234 1HB ALA 35 1HB ALA 35 -13.055 3.899 5.393
235 2HB ALA 35 2HB ALA 35 -11.591 3.233 6.116
236 3HB ALA 35 3HB ALA 35 -12.130 2.669 4.533
237 HA PRO 36 HA PRO 36 -10.998 8.552 5.827
238 1HB PRO 36 2HB PRO 36 -12.547 10.103 4.192
239 2HB PRO 36 1HB PRO 36 -10.872 9.662 3.805
240 1HG PRO 36 2HG PRO 36 -13.411 8.545 2.755
241 2HG PRO 36 1HG PRO 36 -11.863 8.797 1.937
242 1HD PRO 36 2HD PRO 36 -12.770 6.368 2.864
243 2HD PRO 36 1HD PRO 36 -11.063 6.765 2.573
Start of MODEL 4
1 1H ASP 1 1H ASP 1 12.874 -0.005 -0.764
2 2H ASP 1 2H ASP 1 13.712 0.109 0.709
3 3H ASP 1 3H ASP 1 14.558 0.197 -0.762
4 HA ASP 1 HA ASP 1 12.587 2.199 0.229
5 1HB ASP 1 2HB ASP 1 14.826 1.962 1.400
6 2HB ASP 1 1HB ASP 1 15.597 2.355 -0.137
7 H GLY 2 H GLY 2 11.471 2.373 -1.779
8 1HA GLY 2 2HA GLY 2 13.146 3.270 -4.095
9 2HA GLY 2 1HA GLY 2 11.651 2.354 -4.291
10 H GLU 3 H GLU 3 9.919 3.585 -4.809
11 HA GLU 3 HA GLU 3 9.902 6.463 -3.948
12 1HB GLU 3 2HB GLU 3 9.957 5.421 -6.463
13 2HB GLU 3 1HB GLU 3 8.215 5.516 -6.205
14 1HG GLU 3 2HG GLU 3 8.208 7.804 -6.181
15 2HG GLU 3 1HG GLU 3 9.771 7.901 -5.372
16 H CYS 4 H CYS 4 7.279 7.092 -4.409
17 HA CYS 4 HA CYS 4 5.893 5.621 -2.252
18 1HB CYS 4 2HB CYS 4 4.982 7.662 -1.910
19 2HB CYS 4 1HB CYS 4 6.065 8.264 -3.159
20 H GLY 5 H GLY 5 3.776 4.671 -2.573
21 1HA GLY 5 2HA GLY 5 3.456 3.380 -5.172
22 2HA GLY 5 1HA GLY 5 2.456 3.104 -3.747
23 H GLY 6 H GLY 6 0.495 3.286 -4.926
24 1HA GLY 6 2HA GLY 6 -0.180 6.085 -5.726
25 2HA GLY 6 1HA GLY 6 -0.665 4.720 -6.731
26 H PHE 7 H PHE 7 -2.899 4.834 -6.472
27 HA PHE 7 HA PHE 7 -4.056 5.050 -3.755
28 1HB PHE 7 2HB PHE 7 -6.089 5.485 -4.907
29 2HB PHE 7 1HB PHE 7 -4.846 6.246 -5.895
30 HD1 PHE 7 HD1 PHE 7 -7.342 3.585 -5.699
31 HD2 PHE 7 HD2 PHE 7 -4.079 5.160 -8.007
32 HE1 PHE 7 HE1 PHE 7 -8.051 2.213 -7.639
33 HE2 PHE 7 HE2 PHE 7 -4.788 3.785 -9.945
34 HZ PHE 7 HZ PHE 7 -6.773 2.312 -9.761
35 H TRP 8 H TRP 8 -3.346 2.567 -6.111
36 HA TRP 8 HA TRP 8 -4.293 0.497 -4.231
37 1HB TRP 8 2HB TRP 8 -6.302 1.158 -5.513
38 2HB TRP 8 1HB TRP 8 -5.440 0.865 -7.021
39 HD1 TRP 8 HD1 TRP 8 -6.090 -1.193 -3.790
40 HE1 TRP 8 HE1 TRP 8 -6.714 -3.592 -4.496
41 HE3 TRP 8 HE3 TRP 8 -5.784 -0.728 -8.865
42 HZ2 TRP 8 HZ2 TRP 8 -7.041 -5.114 -6.899
43 HZ3 TRP 8 HZ3 TRP 8 -6.256 -2.663 -10.337
44 HH2 TRP 8 HH2 TRP 8 -6.884 -4.855 -9.361
45 H TRP 9 H TRP 9 -1.785 0.510 -4.518
46 HA TRP 9 HA TRP 9 -0.898 -0.912 -6.990
47 1HB TRP 9 2HB TRP 9 0.449 0.557 -4.709
48 2HB TRP 9 1HB TRP 9 1.375 -0.389 -5.871
49 HD1 TRP 9 HD1 TRP 9 -1.712 1.544 -7.000
50 HE1 TRP 9 HE1 TRP 9 -0.983 3.460 -8.552
51 HE3 TRP 9 HE3 TRP 9 3.362 1.243 -6.457
52 HZ2 TRP 9 HZ2 TRP 9 1.418 4.710 -9.439
53 HZ3 TRP 9 HZ3 TRP 9 4.841 2.816 -7.674
54 HH2 TRP 9 HH2 TRP 9 3.877 4.543 -9.166
55 H LYS 10 H LYS 10 0.873 -2.681 -6.443
56 HA LYS 10 HA LYS 10 -0.384 -4.577 -4.544
57 1HB LYS 10 2HB LYS 10 1.375 -4.640 -6.899
58 2HB LYS 10 1HB LYS 10 1.833 -5.795 -5.646
59 1HG LYS 10 2HG LYS 10 -0.368 -6.777 -5.637
60 2HG LYS 10 1HG LYS 10 -0.996 -5.517 -6.700
61 1HD LYS 10 2HD LYS 10 1.315 -6.750 -7.911
62 2HD LYS 10 1HD LYS 10 0.146 -7.989 -7.459
63 1HE LYS 10 2HE LYS 10 -0.637 -5.480 -8.979
64 2HE LYS 10 1HE LYS 10 -0.210 -7.006 -9.778
65 1HZ LYS 10 1HZ LYS 10 -1.863 -8.073 -8.209
66 2HZ LYS 10 2HZ LYS 10 -2.523 -7.111 -9.444
67 3HZ LYS 10 3HZ LYS 10 -2.415 -6.507 -7.859
68 H CYS 11 H CYS 11 0.558 -5.211 -2.617
69 HA CYS 11 HA CYS 11 3.368 -4.470 -2.055
70 1HB CYS 11 2HB CYS 11 2.168 -2.483 -1.438
71 2HB CYS 11 1HB CYS 11 0.909 -3.417 -0.636
72 H GLY 12 H GLY 12 4.110 -5.486 0.010
73 1HA GLY 12 2HA GLY 12 2.622 -8.014 0.536
74 2HA GLY 12 1HA GLY 12 4.338 -7.760 0.858
75 H ARG 13 H ARG 13 4.809 -7.498 2.982
76 HA ARG 13 HA ARG 13 2.653 -6.773 4.889
77 1HB ARG 13 2HB ARG 13 4.897 -8.472 4.858
78 2HB ARG 13 1HB ARG 13 5.322 -7.183 5.983
79 1HG ARG 13 2HG ARG 13 2.725 -8.745 6.085
80 2HG ARG 13 1HG ARG 13 4.136 -9.103 7.079
81 1HD ARG 13 2HD ARG 13 2.957 -6.322 7.068
82 2HD ARG 13 1HD ARG 13 2.286 -7.587 8.113
83 HE ARG 13 HE ARG 13 5.221 -7.012 8.155
84 1HH1 ARG 13 1HH2 ARG 13 3.158 -5.320 9.783
85 2HH1 ARG 13 2HH2 ARG 13 3.325 -6.064 11.339
86 1HH2 ARG 13 1HH1 ARG 13 5.013 -8.848 10.121
87 2HH2 ARG 13 2HH1 ARG 13 4.377 -8.065 11.530
88 H GLY 14 H GLY 14 3.874 -4.727 3.013
89 1HA GLY 14 2HA GLY 14 4.016 -2.357 3.503
90 2HA GLY 14 1HA GLY 14 4.648 -2.756 5.101
91 H LYS 15 H LYS 15 5.793 -4.279 2.118
92 HA LYS 15 HA LYS 15 8.553 -3.639 2.731
93 1HB LYS 15 2HB LYS 15 7.093 -5.414 1.098
94 2HB LYS 15 1HB LYS 15 8.066 -4.448 -0.010
95 1HG LYS 15 2HG LYS 15 9.587 -6.109 0.525
96 2HG LYS 15 1HG LYS 15 9.971 -4.920 1.769
97 1HD LYS 15 2HD LYS 15 8.326 -6.105 3.282
98 2HD LYS 15 1HD LYS 15 8.221 -7.375 2.060
99 1HE LYS 15 2HE LYS 15 10.827 -7.437 2.219
100 2HE LYS 15 1HE LYS 15 10.586 -6.599 3.765
101 1HZ LYS 15 1HZ LYS 15 8.958 -8.325 4.363
102 2HZ LYS 15 2HZ LYS 15 10.513 -8.968 4.127
103 3HZ LYS 15 3HZ LYS 15 9.322 -9.158 2.931
104 HA PRO 16 HA PRO 16 8.273 -0.615 -0.935
105 1HB PRO 16 2HB PRO 16 5.874 -0.269 -2.204
106 2HB PRO 16 1HB PRO 16 7.035 -1.527 -2.671
107 1HG PRO 16 2HG PRO 16 4.538 -1.753 -1.082
108 2HG PRO 16 1HG PRO 16 5.248 -2.886 -2.238
109 1HD PRO 16 2HD PRO 16 5.409 -3.148 0.497
110 2HD PRO 16 1HD PRO 16 6.542 -3.882 -0.655
111 HA PRO 17 HA PRO 17 6.582 2.399 1.889
112 1HB PRO 17 2HB PRO 17 7.785 4.606 0.798
113 2HB PRO 17 1HB PRO 17 8.643 3.448 1.834
114 1HG PRO 17 2HG PRO 17 8.659 3.709 -1.127
115 2HG PRO 17 1HG PRO 17 9.981 3.305 -0.022
116 1HD PRO 17 2HD PRO 17 8.643 1.456 -1.521
117 2HD PRO 17 1HD PRO 17 9.432 1.085 0.028
118 H CYS 18 H CYS 18 4.367 2.482 1.338
119 HA CYS 18 HA CYS 18 3.347 3.395 -1.201
120 1HB CYS 18 2HB CYS 18 2.172 3.096 1.578
121 2HB CYS 18 1HB CYS 18 1.201 3.520 0.168
122 H CYS 19 H CYS 19 2.084 5.426 -1.511
123 HA CYS 19 HA CYS 19 3.535 7.775 -0.724
124 1HB CYS 19 2HB CYS 19 1.451 7.010 -2.488
125 2HB CYS 19 1HB CYS 19 0.795 8.310 -1.493
126 H LYS 20 H LYS 20 2.773 9.522 0.684
127 HA LYS 20 HA LYS 20 1.914 8.753 3.251
128 1HB LYS 20 2HB LYS 20 3.044 10.907 2.291
129 2HB LYS 20 1HB LYS 20 1.388 11.484 2.097
130 1HG LYS 20 2HG LYS 20 1.239 11.941 4.296
131 2HG LYS 20 1HG LYS 20 1.701 10.292 4.707
132 1HD LYS 20 2HD LYS 20 3.653 11.111 5.479
133 2HD LYS 20 1HD LYS 20 4.071 11.510 3.813
134 1HE LYS 20 2HE LYS 20 2.316 13.388 5.388
135 2HE LYS 20 1HE LYS 20 4.077 13.433 5.598
136 1HZ LYS 20 1HZ LYS 20 3.392 14.889 3.788
137 2HZ LYS 20 2HZ LYS 20 2.640 13.588 2.998
138 3HZ LYS 20 3HZ LYS 20 4.328 13.604 3.196
139 H GLY 21 H GLY 21 -0.088 8.248 4.052
140 1HA GLY 21 2HA GLY 21 -2.471 8.768 4.318
141 2HA GLY 21 1HA GLY 21 -2.506 9.274 2.630
142 H TYR 22 H TYR 22 -0.859 6.889 1.830
143 HA TYR 22 HA TYR 22 -3.113 4.962 1.649
144 1HB TYR 22 2HB TYR 22 -0.391 5.094 0.299
145 2HB TYR 22 1HB TYR 22 -1.692 3.989 -0.133
146 HD1 TYR 22 HD1 TYR 22 -3.781 4.838 -1.167
147 HD2 TYR 22 HD2 TYR 22 -0.474 7.439 -0.309
148 HE1 TYR 22 HE1 TYR 22 -4.758 6.571 -2.648
149 HE2 TYR 22 HE2 TYR 22 -1.452 9.171 -1.789
150 HH TYR 22 HH TYR 22 -3.370 8.806 -4.028
151 H ALA 23 H ALA 23 -2.982 2.867 2.481
152 HA ALA 23 HA ALA 23 -0.576 2.217 4.158
153 1HB ALA 23 1HB ALA 23 -3.266 2.625 4.858
154 2HB ALA 23 2HB ALA 23 -2.021 1.900 5.874
155 3HB ALA 23 3HB ALA 23 -3.057 0.873 4.882
156 H CYS 24 H CYS 24 0.135 0.024 4.083
157 HA CYS 24 HA CYS 24 -0.632 -1.445 1.633
158 1HB CYS 24 2HB CYS 24 1.716 -1.147 2.183
159 2HB CYS 24 1HB CYS 24 1.467 -1.815 3.795
160 H SER 25 H SER 25 -1.134 -3.774 1.761
161 HA SER 25 HA SER 25 -2.303 -4.679 4.358
162 1HB SER 25 2HB SER 25 -3.641 -4.519 1.645
163 2HB SER 25 1HB SER 25 -4.311 -5.415 3.004
164 HG SER 25 HG SER 25 -4.703 -3.571 4.043
165 H LYS 26 H LYS 26 -0.858 -6.401 4.664
166 HA LYS 26 HA LYS 26 0.086 -8.124 2.541
167 1HB LYS 26 2HB LYS 26 1.303 -7.818 4.629
168 2HB LYS 26 1HB LYS 26 -0.075 -8.397 5.561
169 1HG LYS 26 2HG LYS 26 1.510 -10.215 5.385
170 2HG LYS 26 1HG LYS 26 0.132 -10.603 4.356
171 1HD LYS 26 2HD LYS 26 1.604 -9.326 2.532
172 2HD LYS 26 1HD LYS 26 2.918 -9.843 3.588
173 1HE LYS 26 2HE LYS 26 2.813 -11.876 2.588
174 2HE LYS 26 1HE LYS 26 1.213 -12.090 3.324
175 1HZ LYS 26 1HZ LYS 26 1.051 -12.229 0.921
176 2HZ LYS 26 2HZ LYS 26 1.782 -10.705 0.755
177 3HZ LYS 26 3HZ LYS 26 0.248 -10.842 1.475
178 H THR 27 H THR 27 -2.610 -8.282 4.836
179 HA THR 27 HA THR 27 -3.459 -10.969 4.357
180 HB THR 27 HB THR 27 -5.139 -8.524 5.007
181 HG1 THR 27 HG1 THR 27 -3.619 -10.216 6.708
182 1HG2 THR 27 1HG2 THR 27 -6.455 -10.205 6.315
183 2HG2 THR 27 2HG2 THR 27 -5.446 -11.475 5.620
184 3HG2 THR 27 3HG2 THR 27 -6.479 -10.497 4.576
185 H TRP 28 H TRP 28 -4.212 -7.919 2.699
186 HA TRP 28 HA TRP 28 -6.078 -9.250 0.831
187 1HB TRP 28 2HB TRP 28 -4.996 -6.413 0.968
188 2HB TRP 28 1HB TRP 28 -6.368 -6.946 0.007
189 HD1 TRP 28 HD1 TRP 28 -7.132 -8.928 2.721
190 HE1 TRP 28 HE1 TRP 28 -8.548 -7.766 4.532
191 HE3 TRP 28 HE3 TRP 28 -6.349 -4.040 1.459
192 HZ2 TRP 28 HZ2 TRP 28 -9.265 -5.119 5.336
193 HZ3 TRP 28 HZ3 TRP 28 -7.413 -2.222 2.763
194 HH2 TRP 28 HH2 TRP 28 -8.868 -2.756 4.699
195 H GLY 29 H GLY 29 -2.973 -7.462 0.611
196 1HA GLY 29 2HA GLY 29 -1.165 -8.521 -0.751
197 2HA GLY 29 1HA GLY 29 -2.410 -8.972 -1.911
198 H TRP 30 H TRP 30 -2.787 -5.785 -0.564
199 HA TRP 30 HA TRP 30 -1.208 -4.533 -2.739
200 1HB TRP 30 2HB TRP 30 -3.119 -3.538 -3.800
201 2HB TRP 30 1HB TRP 30 -3.472 -5.251 -3.621
202 HD1 TRP 30 HD1 TRP 30 -4.126 -1.959 -1.677
203 HE1 TRP 30 HE1 TRP 30 -6.452 -2.123 -0.599
204 HE3 TRP 30 HE3 TRP 30 -5.411 -6.700 -3.073
205 HZ2 TRP 30 HZ2 TRP 30 -8.591 -4.008 -0.361
206 HZ3 TRP 30 HZ3 TRP 30 -7.602 -7.650 -2.413
207 HH2 TRP 30 HH2 TRP 30 -9.192 -6.310 -1.060
208 H CYS 31 H CYS 31 -1.823 -1.992 -2.646
209 HA CYS 31 HA CYS 31 -1.939 -1.175 0.238
210 1HB CYS 31 2HB CYS 31 0.371 -1.249 -0.821
211 2HB CYS 31 1HB CYS 31 -0.172 0.020 -1.919
212 H ALA 32 H ALA 32 -3.526 0.311 0.569
213 HA ALA 32 HA ALA 32 -4.171 2.324 -1.527
214 1HB ALA 32 1HB ALA 32 -5.598 0.434 -2.064
215 2HB ALA 32 2HB ALA 32 -6.603 1.668 -1.302
216 3HB ALA 32 3HB ALA 32 -6.078 0.262 -0.376
217 H VAL 33 H VAL 33 -5.929 3.881 -0.567
218 HA VAL 33 HA VAL 33 -5.023 5.036 1.863
219 HB VAL 33 HB VAL 33 -7.730 5.156 0.483
220 1HG1 VAL 33 1HG1 VAL 33 -8.267 6.172 2.477
221 2HG1 VAL 33 2HG1 VAL 33 -7.491 7.548 1.693
222 3HG1 VAL 33 3HG1 VAL 33 -6.589 6.567 2.847
223 1HG2 VAL 33 1HG2 VAL 33 -5.211 6.833 0.284
224 2HG2 VAL 33 2HG2 VAL 33 -6.766 7.331 -0.384
225 3HG2 VAL 33 3HG2 VAL 33 -5.963 5.886 -0.998
226 H GLU 34 H GLU 34 -5.470 4.592 3.998
227 HA GLU 34 HA GLU 34 -6.874 2.144 4.699
228 1HB GLU 34 2HB GLU 34 -4.986 3.955 5.808
229 2HB GLU 34 1HB GLU 34 -6.339 3.873 6.935
230 1HG GLU 34 2HG GLU 34 -5.401 1.288 5.798
231 2HG GLU 34 1HG GLU 34 -4.329 2.077 6.955
232 H ALA 35 H ALA 35 -7.434 5.504 5.811
233 HA ALA 35 HA ALA 35 -10.342 4.826 6.099
234 1HB ALA 35 1HB ALA 35 -9.508 5.361 8.220
235 2HB ALA 35 2HB ALA 35 -10.102 6.928 7.671
236 3HB ALA 35 3HB ALA 35 -8.381 6.558 7.580
237 HA PRO 36 HA PRO 36 -11.224 7.866 3.025
238 1HB PRO 36 2HB PRO 36 -13.782 8.524 3.750
239 2HB PRO 36 1HB PRO 36 -13.364 6.994 2.953
240 1HG PRO 36 2HG PRO 36 -13.902 7.545 5.825
241 2HG PRO 36 1HG PRO 36 -14.348 6.143 4.840
242 1HD PRO 36 2HD PRO 36 -12.257 6.156 6.598
243 2HD PRO 36 1HD PRO 36 -12.332 5.115 5.159
Start of MODEL 5
1 1H ASP 1 1H ASP 1 15.376 1.048 -2.068
2 2H ASP 1 2H ASP 1 16.041 2.356 -1.210
3 3H ASP 1 3H ASP 1 15.414 2.592 -2.771
4 HA ASP 1 HA ASP 1 13.174 2.024 -1.957
5 1HB ASP 1 2HB ASP 1 14.218 0.575 -0.140
6 2HB ASP 1 1HB ASP 1 14.557 2.064 0.744
7 H GLY 2 H GLY 2 11.881 3.831 -1.508
8 1HA GLY 2 2HA GLY 2 11.895 5.999 -0.052
9 2HA GLY 2 1HA GLY 2 13.353 6.373 -0.972
10 H GLU 3 H GLU 3 10.102 5.110 -1.776
11 HA GLU 3 HA GLU 3 9.726 7.373 -3.663
12 1HB GLU 3 2HB GLU 3 9.331 5.880 -5.511
13 2HB GLU 3 1HB GLU 3 10.849 5.382 -4.770
14 1HG GLU 3 2HG GLU 3 9.324 3.784 -3.351
15 2HG GLU 3 1HG GLU 3 8.159 4.042 -4.651
16 H CYS 4 H CYS 4 7.370 6.662 -4.828
17 HA CYS 4 HA CYS 4 5.540 5.991 -2.551
18 1HB CYS 4 2HB CYS 4 4.903 8.151 -2.636
19 2HB CYS 4 1HB CYS 4 5.894 8.438 -4.062
20 H GLY 5 H GLY 5 3.545 5.016 -3.189
21 1HA GLY 5 2HA GLY 5 3.718 3.515 -5.727
22 2HA GLY 5 1HA GLY 5 2.611 3.170 -4.397
23 H GLY 6 H GLY 6 0.550 3.506 -5.062
24 1HA GLY 6 2HA GLY 6 -0.137 6.105 -6.306
25 2HA GLY 6 1HA GLY 6 -0.576 4.653 -7.203
26 H PHE 7 H PHE 7 -2.823 4.774 -6.969
27 HA PHE 7 HA PHE 7 -4.008 5.147 -4.279
28 1HB PHE 7 2HB PHE 7 -5.020 4.922 -7.116
29 2HB PHE 7 1HB PHE 7 -6.132 4.905 -5.749
30 HD1 PHE 7 HD1 PHE 7 -3.395 6.889 -7.332
31 HD2 PHE 7 HD2 PHE 7 -6.768 6.912 -4.672
32 HE1 PHE 7 HE1 PHE 7 -3.275 9.362 -7.204
33 HE2 PHE 7 HE2 PHE 7 -6.649 9.388 -4.543
34 HZ PHE 7 HZ PHE 7 -4.901 10.613 -5.809
35 H TRP 8 H TRP 8 -3.539 2.599 -6.683
36 HA TRP 8 HA TRP 8 -4.364 0.587 -4.645
37 1HB TRP 8 2HB TRP 8 -6.164 1.450 -6.418
38 2HB TRP 8 1HB TRP 8 -5.338 0.302 -7.466
39 HD1 TRP 8 HD1 TRP 8 -4.671 -1.888 -5.232
40 HE1 TRP 8 HE1 TRP 8 -6.583 -3.348 -4.308
41 HE3 TRP 8 HE3 TRP 8 -8.678 1.039 -6.435
42 HZ2 TRP 8 HZ2 TRP 8 -9.434 -3.283 -4.102
43 HZ3 TRP 8 HZ3 TRP 8 -10.979 0.316 -5.865
44 HH2 TRP 8 HH2 TRP 8 -11.361 -1.839 -4.701
45 H TRP 9 H TRP 9 -1.850 0.588 -4.848
46 HA TRP 9 HA TRP 9 -0.888 -0.916 -7.244
47 1HB TRP 9 2HB TRP 9 0.385 0.656 -4.995
48 2HB TRP 9 1HB TRP 9 1.352 -0.338 -6.083
49 HD1 TRP 9 HD1 TRP 9 -1.711 1.581 -7.339
50 HE1 TRP 9 HE1 TRP 9 -0.933 3.407 -8.975
51 HE3 TRP 9 HE3 TRP 9 3.351 1.196 -6.756
52 HZ2 TRP 9 HZ2 TRP 9 1.498 4.561 -9.903
53 HZ3 TRP 9 HZ3 TRP 9 4.871 2.677 -8.034
54 HH2 TRP 9 HH2 TRP 9 3.953 4.355 -9.611
55 H LYS 10 H LYS 10 0.911 -2.620 -6.570
56 HA LYS 10 HA LYS 10 -0.380 -4.488 -4.668
57 1HB LYS 10 2HB LYS 10 1.554 -4.562 -6.906
58 2HB LYS 10 1HB LYS 10 1.869 -5.725 -5.617
59 1HG LYS 10 2HG LYS 10 -0.242 -6.758 -5.868
60 2HG LYS 10 1HG LYS 10 -0.893 -5.400 -6.785
61 1HD LYS 10 2HD LYS 10 -0.440 -6.799 -8.553
62 2HD LYS 10 1HD LYS 10 1.149 -6.046 -8.409
63 1HE LYS 10 2HE LYS 10 1.586 -8.003 -6.674
64 2HE LYS 10 1HE LYS 10 0.281 -8.798 -7.576
65 1HZ LYS 10 1HZ LYS 10 1.451 -8.264 -9.641
66 2HZ LYS 10 2HZ LYS 10 2.403 -9.241 -8.628
67 3HZ LYS 10 3HZ LYS 10 2.724 -7.577 -8.753
68 H CYS 11 H CYS 11 0.489 -5.059 -2.694
69 HA CYS 11 HA CYS 11 3.248 -4.259 -2.013
70 1HB CYS 11 2HB CYS 11 1.955 -2.275 -1.528
71 2HB CYS 11 1HB CYS 11 0.725 -3.221 -0.694
72 H GLY 12 H GLY 12 3.907 -5.216 0.100
73 1HA GLY 12 2HA GLY 12 2.436 -7.750 0.630
74 2HA GLY 12 1HA GLY 12 4.114 -7.432 1.072
75 H ARG 13 H ARG 13 4.415 -7.060 3.213
76 HA ARG 13 HA ARG 13 2.104 -6.337 4.930
77 1HB ARG 13 2HB ARG 13 3.782 -8.183 5.402
78 2HB ARG 13 1HB ARG 13 5.004 -6.934 5.621
79 1HG ARG 13 2HG ARG 13 4.015 -7.675 7.782
80 2HG ARG 13 1HG ARG 13 3.737 -5.964 7.473
81 1HD ARG 13 2HD ARG 13 1.454 -6.514 6.618
82 2HD ARG 13 1HD ARG 13 1.738 -8.213 7.041
83 HE ARG 13 HE ARG 13 1.489 -5.973 8.979
84 1HH1 ARG 13 1HH1 ARG 13 3.586 -7.774 9.993
85 2HH1 ARG 13 2HH1 ARG 13 2.692 -8.976 10.862
86 1HH2 ARG 13 1HH2 ARG 13 -0.340 -8.180 9.360
87 2HH2 ARG 13 2HH2 ARG 13 0.460 -9.206 10.502
88 H GLY 14 H GLY 14 3.617 -4.410 3.001
89 1HA GLY 14 2HA GLY 14 3.571 -1.987 3.340
90 2HA GLY 14 1HA GLY 14 4.053 -2.256 5.016
91 H LYS 15 H LYS 15 5.501 -3.902 2.231
92 HA LYS 15 HA LYS 15 8.172 -3.106 3.077
93 1HB LYS 15 2HB LYS 15 7.010 -5.186 1.669
94 2HB LYS 15 1HB LYS 15 7.865 -4.292 0.412
95 1HG LYS 15 2HG LYS 15 9.616 -5.590 1.130
96 2HG LYS 15 1HG LYS 15 9.779 -4.281 2.300
97 1HD LYS 15 2HD LYS 15 9.117 -5.587 4.038
98 2HD LYS 15 1HD LYS 15 7.845 -6.359 3.090
99 1HE LYS 15 2HE LYS 15 9.293 -8.167 3.352
100 2HE LYS 15 1HE LYS 15 9.961 -7.471 1.864
101 1HZ LYS 15 1HZ LYS 15 11.442 -6.103 3.244
102 2HZ LYS 15 2HZ LYS 15 11.716 -7.764 3.480
103 3HZ LYS 15 3HZ LYS 15 10.852 -6.869 4.639
104 HA PRO 16 HA PRO 16 8.138 -0.584 -0.988
105 1HB PRO 16 2HB PRO 16 5.783 -0.337 -2.359
106 2HB PRO 16 1HB PRO 16 6.932 -1.659 -2.646
107 1HG PRO 16 2HG PRO 16 4.395 -1.657 -1.101
108 2HG PRO 16 1HG PRO 16 5.095 -2.922 -2.121
109 1HD PRO 16 2HD PRO 16 5.200 -2.923 0.619
110 2HD PRO 16 1HD PRO 16 6.367 -3.763 -0.422
111 HA PRO 17 HA PRO 17 6.485 2.789 1.413
112 1HB PRO 17 2HB PRO 17 7.751 4.821 0.085
113 2HB PRO 17 1HB PRO 17 8.580 3.762 1.244
114 1HG PRO 17 2HG PRO 17 8.569 3.666 -1.732
115 2HG PRO 17 1HG PRO 17 9.905 3.400 -0.600
116 1HD PRO 17 2HD PRO 17 8.564 1.371 -1.817
117 2HD PRO 17 1HD PRO 17 9.320 1.214 -0.215
118 H CYS 18 H CYS 18 4.284 2.975 0.893
119 HA CYS 18 HA CYS 18 3.323 3.655 -1.773
120 1HB CYS 18 2HB CYS 18 2.031 3.570 0.978
121 2HB CYS 18 1HB CYS 18 1.135 3.785 -0.524
122 H CYS 19 H CYS 19 1.926 5.685 -2.079
123 HA CYS 19 HA CYS 19 3.433 8.063 -1.525
124 1HB CYS 19 2HB CYS 19 1.149 7.221 -3.023
125 2HB CYS 19 1HB CYS 19 0.680 8.637 -2.085
126 H LYS 20 H LYS 20 2.550 9.969 -0.284
127 HA LYS 20 HA LYS 20 1.999 9.309 2.430
128 1HB LYS 20 2HB LYS 20 2.685 11.556 0.847
129 2HB LYS 20 1HB LYS 20 1.225 12.004 1.728
130 1HG LYS 20 2HG LYS 20 3.185 12.569 3.070
131 2HG LYS 20 1HG LYS 20 2.309 11.248 3.842
132 1HD LYS 20 2HD LYS 20 4.203 10.035 3.808
133 2HD LYS 20 1HD LYS 20 4.125 10.034 2.047
134 1HE LYS 20 2HE LYS 20 5.329 12.239 2.038
135 2HE LYS 20 1HE LYS 20 5.521 12.088 3.797
136 1HZ LYS 20 1HZ LYS 20 6.437 10.118 1.764
137 2HZ LYS 20 2HZ LYS 20 6.559 9.916 3.448
138 3HZ LYS 20 3HZ LYS 20 7.436 11.147 2.670
139 H GLY 21 H GLY 21 0.060 8.789 3.364
140 1HA GLY 21 2HA GLY 21 -2.287 9.240 3.810
141 2HA GLY 21 1HA GLY 21 -2.448 9.859 2.169
142 H TYR 22 H TYR 22 -0.621 7.030 2.051
143 HA TYR 22 HA TYR 22 -3.061 5.388 1.441
144 1HB TYR 22 2HB TYR 22 -0.276 5.400 0.221
145 2HB TYR 22 1HB TYR 22 -1.561 4.282 -0.232
146 HD1 TYR 22 HD1 TYR 22 -0.572 7.862 -0.171
147 HD2 TYR 22 HD2 TYR 22 -3.354 4.959 -1.682
148 HE1 TYR 22 HE1 TYR 22 -1.477 9.549 -1.742
149 HE2 TYR 22 HE2 TYR 22 -4.258 6.651 -3.251
150 HH TYR 22 HH TYR 22 -4.033 9.709 -2.984
151 H ALA 23 H ALA 23 -2.966 3.157 2.110
152 HA ALA 23 HA ALA 23 -0.710 2.493 3.974
153 1HB ALA 23 1HB ALA 23 -3.707 2.296 4.257
154 2HB ALA 23 2HB ALA 23 -2.541 3.014 5.369
155 3HB ALA 23 3HB ALA 23 -2.649 1.260 5.217
156 H CYS 24 H CYS 24 -0.046 0.312 3.964
157 HA CYS 24 HA CYS 24 -0.770 -1.231 1.549
158 1HB CYS 24 2HB CYS 24 1.567 -0.901 2.217
159 2HB CYS 24 1HB CYS 24 1.238 -1.620 3.792
160 H SER 25 H SER 25 -1.273 -3.564 1.752
161 HA SER 25 HA SER 25 -2.542 -4.350 4.340
162 1HB SER 25 2HB SER 25 -4.118 -3.297 2.610
163 2HB SER 25 1HB SER 25 -3.825 -4.731 1.630
164 HG SER 25 HG SER 25 -5.341 -4.407 3.885
165 H LYS 26 H LYS 26 -1.442 -6.206 4.887
166 HA LYS 26 HA LYS 26 -0.169 -7.934 2.926
167 1HB LYS 26 2HB LYS 26 0.686 -7.581 5.202
168 2HB LYS 26 1HB LYS 26 -0.796 -8.251 5.880
169 1HG LYS 26 2HG LYS 26 0.829 -10.016 5.923
170 2HG LYS 26 1HG LYS 26 -0.279 -10.388 4.604
171 1HD LYS 26 2HD LYS 26 1.314 -9.339 3.004
172 2HD LYS 26 1HD LYS 26 2.438 -9.065 4.335
173 1HE LYS 26 2HE LYS 26 1.412 -11.851 4.029
174 2HE LYS 26 1HE LYS 26 2.566 -11.283 2.807
175 1HZ LYS 26 1HZ LYS 26 4.044 -10.553 4.560
176 2HZ LYS 26 2HZ LYS 26 3.699 -12.204 4.757
177 3HZ LYS 26 3HZ LYS 26 2.942 -11.051 5.749
178 H THR 27 H THR 27 -3.142 -8.124 4.878
179 HA THR 27 HA THR 27 -3.899 -10.799 4.141
180 HB THR 27 HB THR 27 -5.759 -8.497 4.791
181 HG1 THR 27 HG1 THR 27 -4.046 -9.993 6.490
182 1HG2 THR 27 1HG2 THR 27 -7.281 -10.104 5.309
183 2HG2 THR 27 2HG2 THR 27 -6.066 -11.152 6.043
184 3HG2 THR 27 3HG2 THR 27 -6.275 -11.138 4.293
185 H TRP 28 H TRP 28 -4.543 -7.632 2.682
186 HA TRP 28 HA TRP 28 -6.309 -8.743 0.610
187 1HB TRP 28 2HB TRP 28 -5.052 -6.016 1.067
188 2HB TRP 28 1HB TRP 28 -6.280 -6.357 -0.145
189 HD1 TRP 28 HD1 TRP 28 -7.337 -8.496 2.475
190 HE1 TRP 28 HE1 TRP 28 -9.053 -7.394 4.046
191 HE3 TRP 28 HE3 TRP 28 -6.677 -3.593 1.205
192 HZ2 TRP 28 HZ2 TRP 28 -10.032 -4.782 4.671
193 HZ3 TRP 28 HZ3 TRP 28 -8.014 -1.821 2.303
194 HH2 TRP 28 HH2 TRP 28 -9.690 -2.411 4.034
195 H GLY 29 H GLY 29 -3.038 -7.286 0.721
196 1HA GLY 29 2HA GLY 29 -1.207 -8.253 -0.579
197 2HA GLY 29 1HA GLY 29 -2.388 -8.801 -1.764
198 H TRP 30 H TRP 30 -2.771 -5.538 -0.570
199 HA TRP 30 HA TRP 30 -1.184 -4.414 -2.799
200 1HB TRP 30 2HB TRP 30 -3.103 -3.408 -3.882
201 2HB TRP 30 1HB TRP 30 -3.410 -5.130 -3.710
202 HD1 TRP 30 HD1 TRP 30 -4.162 -1.876 -1.747
203 HE1 TRP 30 HE1 TRP 30 -6.507 -2.092 -0.723
204 HE3 TRP 30 HE3 TRP 30 -5.342 -6.618 -3.234
205 HZ2 TRP 30 HZ2 TRP 30 -8.623 -4.016 -0.557
206 HZ3 TRP 30 HZ3 TRP 30 -7.532 -7.612 -2.634
207 HH2 TRP 30 HH2 TRP 30 -9.171 -6.318 -1.298
208 H CYS 31 H CYS 31 -1.866 -1.844 -2.816
209 HA CYS 31 HA CYS 31 -1.944 -0.923 0.036
210 1HB CYS 31 2HB CYS 31 0.375 -1.089 -1.010
211 2HB CYS 31 1HB CYS 31 -0.132 0.168 -2.138
212 H ALA 32 H ALA 32 -3.520 0.578 0.291
213 HA ALA 32 HA ALA 32 -4.098 2.555 -1.856
214 1HB ALA 32 1HB ALA 32 -5.579 0.780 -2.446
215 2HB ALA 32 2HB ALA 32 -6.577 1.912 -1.533
216 3HB ALA 32 3HB ALA 32 -5.973 0.447 -0.760
217 H VAL 33 H VAL 33 -5.701 4.247 -0.962
218 HA VAL 33 HA VAL 33 -4.846 5.315 1.522
219 HB VAL 33 HB VAL 33 -7.445 5.642 -0.020
220 1HG1 VAL 33 1HG1 VAL 33 -6.260 7.216 2.281
221 2HG1 VAL 33 2HG1 VAL 33 -7.854 6.469 2.195
222 3HG1 VAL 33 3HG1 VAL 33 -7.488 7.880 1.204
223 1HG2 VAL 33 1HG2 VAL 33 -4.770 7.050 -0.025
224 2HG2 VAL 33 2HG2 VAL 33 -6.223 7.818 -0.662
225 3HG2 VAL 33 3HG2 VAL 33 -5.623 6.328 -1.389
226 H GLU 34 H GLU 34 -5.643 5.123 3.645
227 HA GLU 34 HA GLU 34 -6.839 2.657 4.446
228 1HB GLU 34 2HB GLU 34 -5.765 5.061 5.602
229 2HB GLU 34 1HB GLU 34 -7.271 4.658 6.427
230 1HG GLU 34 2HG GLU 34 -5.233 2.517 5.872
231 2HG GLU 34 1HG GLU 34 -5.046 3.577 7.269
232 H ALA 35 H ALA 35 -8.858 2.206 3.572
233 HA ALA 35 HA ALA 35 -10.984 4.189 3.384
234 1HB ALA 35 1HB ALA 35 -12.168 1.746 3.051
235 2HB ALA 35 2HB ALA 35 -10.484 1.348 2.716
236 3HB ALA 35 3HB ALA 35 -11.298 2.597 1.775
237 HA PRO 36 HA PRO 36 -12.917 1.726 7.012
238 1HB PRO 36 2HB PRO 36 -11.370 -0.116 8.322
239 2HB PRO 36 1HB PRO 36 -12.391 -0.523 6.927
240 1HG PRO 36 2HG PRO 36 -9.458 -0.026 7.042
241 2HG PRO 36 1HG PRO 36 -10.365 -1.227 6.109
242 1HD PRO 36 2HD PRO 36 -9.392 1.072 5.034
243 2HD PRO 36 1HD PRO 36 -10.846 0.250 4.424
Start of MODEL 6
1 1H ASP 1 1H ASP 1 11.564 12.808 -5.557
2 2H ASP 1 2H ASP 1 12.748 12.330 -4.433
3 3H ASP 1 3H ASP 1 11.419 13.262 -3.929
4 HA ASP 1 HA ASP 1 9.908 11.423 -4.460
5 1HB ASP 1 2HB ASP 1 12.543 10.399 -5.465
6 2HB ASP 1 1HB ASP 1 11.355 9.232 -4.885
7 H GLY 2 H GLY 2 9.530 9.715 -2.837
8 1HA GLY 2 2HA GLY 2 11.533 9.539 -0.645
9 2HA GLY 2 1HA GLY 2 9.917 10.120 -0.243
10 H GLU 3 H GLU 3 10.880 7.532 -2.506
11 HA GLU 3 HA GLU 3 10.217 5.280 -2.634
12 1HB GLU 3 2HB GLU 3 10.991 5.939 0.108
13 2HB GLU 3 1HB GLU 3 9.886 4.566 0.044
14 1HG GLU 3 2HG GLU 3 11.323 3.424 -1.559
15 2HG GLU 3 1HG GLU 3 12.391 4.824 -1.644
16 H CYS 4 H CYS 4 8.133 5.766 -3.583
17 HA CYS 4 HA CYS 4 5.846 5.235 -1.730
18 1HB CYS 4 2HB CYS 4 5.465 7.480 -1.898
19 2HB CYS 4 1HB CYS 4 6.493 7.643 -3.315
20 H GLY 5 H GLY 5 3.917 4.452 -2.894
21 1HA GLY 5 2HA GLY 5 4.629 3.028 -5.414
22 2HA GLY 5 1HA GLY 5 3.390 2.499 -4.277
23 H GLY 6 H GLY 6 1.322 3.021 -4.796
24 1HA GLY 6 2HA GLY 6 0.724 5.541 -6.202
25 2HA GLY 6 1HA GLY 6 0.328 4.067 -7.083
26 H PHE 7 H PHE 7 -1.964 4.434 -6.968
27 HA PHE 7 HA PHE 7 -3.229 4.711 -4.305
28 1HB PHE 7 2HB PHE 7 -3.832 5.790 -6.656
29 2HB PHE 7 1HB PHE 7 -4.730 4.287 -6.868
30 HD1 PHE 7 HD1 PHE 7 -4.729 7.548 -5.357
31 HD2 PHE 7 HD2 PHE 7 -6.360 3.589 -4.989
32 HE1 PHE 7 HE1 PHE 7 -6.544 8.428 -3.914
33 HE2 PHE 7 HE2 PHE 7 -8.173 4.471 -3.545
34 HZ PHE 7 HZ PHE 7 -8.266 6.890 -3.008
35 H TRP 8 H TRP 8 -2.916 2.289 -6.877
36 HA TRP 8 HA TRP 8 -3.956 0.224 -4.976
37 1HB TRP 8 2HB TRP 8 -5.751 0.948 -6.517
38 2HB TRP 8 1HB TRP 8 -4.705 0.631 -7.897
39 HD1 TRP 8 HD1 TRP 8 -4.326 -1.876 -8.619
40 HE1 TRP 8 HE1 TRP 8 -5.534 -4.070 -8.016
41 HE3 TRP 8 HE3 TRP 8 -7.001 -0.324 -4.552
42 HZ2 TRP 8 HZ2 TRP 8 -7.390 -5.039 -6.074
43 HZ3 TRP 8 HZ3 TRP 8 -8.485 -1.904 -3.350
44 HH2 TRP 8 HH2 TRP 8 -8.682 -4.258 -4.106
45 H TRP 9 H TRP 9 -1.546 -0.087 -4.789
46 HA TRP 9 HA TRP 9 -0.322 -1.430 -7.175
47 1HB TRP 9 2HB TRP 9 0.707 0.081 -4.771
48 2HB TRP 9 1HB TRP 9 1.782 -0.966 -5.694
49 HD1 TRP 9 HD1 TRP 9 -1.005 1.126 -7.305
50 HE1 TRP 9 HE1 TRP 9 0.067 2.854 -8.877
51 HE3 TRP 9 HE3 TRP 9 3.931 0.362 -6.229
52 HZ2 TRP 9 HZ2 TRP 9 2.656 3.803 -9.575
53 HZ3 TRP 9 HZ3 TRP 9 5.675 1.701 -7.368
54 HH2 TRP 9 HH2 TRP 9 5.047 3.416 -9.042
55 H LYS 10 H LYS 10 1.158 -3.321 -6.570
56 HA LYS 10 HA LYS 10 -0.268 -5.079 -4.650
57 1HB LYS 10 2HB LYS 10 1.538 -5.340 -6.993
58 2HB LYS 10 1HB LYS 10 1.691 -6.595 -5.762
59 1HG LYS 10 2HG LYS 10 -0.297 -7.519 -6.304
60 2HG LYS 10 1HG LYS 10 -1.101 -5.949 -6.355
61 1HD LYS 10 2HD LYS 10 0.682 -6.094 -8.585
62 2HD LYS 10 1HD LYS 10 -0.271 -7.578 -8.556
63 1HE LYS 10 2HE LYS 10 -1.682 -4.959 -8.114
64 2HE LYS 10 1HE LYS 10 -1.242 -5.435 -9.767
65 1HZ LYS 10 1HZ LYS 10 -2.721 -7.132 -7.821
66 2HZ LYS 10 2HZ LYS 10 -2.294 -7.578 -9.403
67 3HZ LYS 10 3HZ LYS 10 -3.415 -6.328 -9.142
68 H CYS 11 H CYS 11 0.626 -5.779 -2.734
69 HA CYS 11 HA CYS 11 3.515 -5.404 -2.233
70 1HB CYS 11 2HB CYS 11 3.114 -3.987 -0.291
71 2HB CYS 11 1HB CYS 11 2.308 -3.264 -1.682
72 H GLY 12 H GLY 12 4.112 -6.399 -0.050
73 1HA GLY 12 2HA GLY 12 2.451 -8.824 0.407
74 2HA GLY 12 1HA GLY 12 4.127 -8.618 0.916
75 H ARG 13 H ARG 13 4.351 -8.349 3.078
76 HA ARG 13 HA ARG 13 2.029 -7.490 4.713
77 1HB ARG 13 2HB ARG 13 4.245 -9.249 4.963
78 2HB ARG 13 1HB ARG 13 4.493 -7.978 6.159
79 1HG ARG 13 2HG ARG 13 1.905 -9.525 5.833
80 2HG ARG 13 1HG ARG 13 3.145 -9.908 7.026
81 1HD ARG 13 2HD ARG 13 2.326 -7.066 7.027
82 2HD ARG 13 1HD ARG 13 1.047 -8.200 7.500
83 HE ARG 13 HE ARG 13 3.581 -8.862 8.755
84 1HH1 ARG 13 1HH1 ARG 13 3.156 -5.941 9.397
85 2HH1 ARG 13 2HH1 ARG 13 2.239 -6.032 10.864
86 1HH2 ARG 13 1HH2 ARG 13 1.384 -9.372 10.434
87 2HH2 ARG 13 2HH2 ARG 13 1.234 -7.979 11.452
88 H GLY 14 H GLY 14 3.242 -5.447 3.017
89 1HA GLY 14 2HA GLY 14 3.512 -3.106 3.480
90 2HA GLY 14 1HA GLY 14 4.005 -3.511 5.124
91 H LYS 15 H LYS 15 5.297 -4.970 2.148
92 HA LYS 15 HA LYS 15 8.028 -4.399 3.022
93 1HB LYS 15 2HB LYS 15 6.716 -6.297 1.452
94 2HB LYS 15 1HB LYS 15 7.687 -5.383 0.296
95 1HG LYS 15 2HG LYS 15 9.562 -5.663 2.153
96 2HG LYS 15 1HG LYS 15 8.577 -7.053 2.617
97 1HD LYS 15 2HD LYS 15 8.984 -8.178 0.640
98 2HD LYS 15 1HD LYS 15 9.200 -6.691 -0.284
99 1HE LYS 15 2HE LYS 15 11.366 -6.332 1.017
100 2HE LYS 15 1HE LYS 15 11.179 -7.993 1.611
101 1HZ LYS 15 1HZ LYS 15 11.200 -7.164 -1.247
102 2HZ LYS 15 2HZ LYS 15 10.985 -8.752 -0.682
103 3HZ LYS 15 3HZ LYS 15 12.466 -7.954 -0.441
104 HA PRO 16 HA PRO 16 8.100 -1.605 -0.837
105 1HB PRO 16 2HB PRO 16 5.797 -1.238 -2.267
106 2HB PRO 16 1HB PRO 16 6.933 -2.562 -2.591
107 1HG PRO 16 2HG PRO 16 4.336 -2.605 -1.162
108 2HG PRO 16 1HG PRO 16 5.078 -3.833 -2.197
109 1HD PRO 16 2HD PRO 16 5.041 -3.915 0.560
110 2HD PRO 16 1HD PRO 16 6.205 -4.782 -0.461
111 HA PRO 17 HA PRO 17 6.355 1.588 1.768
112 1HB PRO 17 2HB PRO 17 7.917 3.636 0.848
113 2HB PRO 17 1HB PRO 17 8.503 2.414 1.994
114 1HG PRO 17 2HG PRO 17 8.947 2.625 -0.938
115 2HG PRO 17 1HG PRO 17 10.056 2.105 0.338
116 1HD PRO 17 2HD PRO 17 8.743 0.383 -1.329
117 2HD PRO 17 1HD PRO 17 9.290 -0.047 0.306
118 H CYS 18 H CYS 18 4.337 2.285 1.159
119 HA CYS 18 HA CYS 18 3.763 3.148 -1.590
120 1HB CYS 18 2HB CYS 18 2.104 3.062 0.954
121 2HB CYS 18 1HB CYS 18 1.462 3.334 -0.665
122 H CYS 19 H CYS 19 2.230 5.273 -1.589
123 HA CYS 19 HA CYS 19 3.943 7.510 -0.884
124 1HB CYS 19 2HB CYS 19 1.527 6.932 -2.398
125 2HB CYS 19 1HB CYS 19 1.348 8.426 -1.481
126 H LYS 20 H LYS 20 3.313 9.278 0.593
127 HA LYS 20 HA LYS 20 2.605 8.494 3.198
128 1HB LYS 20 2HB LYS 20 3.179 10.899 1.704
129 2HB LYS 20 1HB LYS 20 1.863 11.209 2.836
130 1HG LYS 20 2HG LYS 20 3.230 11.051 4.636
131 2HG LYS 20 1HG LYS 20 4.032 9.613 4.005
132 1HD LYS 20 2HD LYS 20 5.448 10.972 2.568
133 2HD LYS 20 1HD LYS 20 4.579 12.434 3.036
134 1HE LYS 20 2HE LYS 20 5.334 12.163 5.369
135 2HE LYS 20 1HE LYS 20 6.183 10.670 4.924
136 1HZ LYS 20 1HZ LYS 20 7.483 11.901 3.321
137 2HZ LYS 20 2HZ LYS 20 7.660 12.610 4.855
138 3HZ LYS 20 3HZ LYS 20 6.656 13.336 3.691
139 H GLY 21 H GLY 21 0.653 7.826 3.994
140 1HA GLY 21 2HA GLY 21 -1.712 8.305 4.455
141 2HA GLY 21 1HA GLY 21 -1.843 8.992 2.836
142 H TYR 22 H TYR 22 -0.214 6.700 1.727
143 HA TYR 22 HA TYR 22 -2.465 4.819 1.339
144 1HB TYR 22 2HB TYR 22 0.314 5.115 0.142
145 2HB TYR 22 1HB TYR 22 -0.859 3.912 -0.387
146 HD1 TYR 22 HD1 TYR 22 -0.189 7.562 -0.135
147 HD2 TYR 22 HD2 TYR 22 -2.712 4.503 -1.786
148 HE1 TYR 22 HE1 TYR 22 -1.240 9.238 -1.630
149 HE2 TYR 22 HE2 TYR 22 -3.763 6.181 -3.278
150 HH TYR 22 HH TYR 22 -2.668 8.756 -4.210
151 H ALA 23 H ALA 23 -2.490 2.752 2.236
152 HA ALA 23 HA ALA 23 -0.042 1.873 3.740
153 1HB ALA 23 1HB ALA 23 -1.802 2.587 5.250
154 2HB ALA 23 2HB ALA 23 -1.719 0.827 5.307
155 3HB ALA 23 3HB ALA 23 -2.994 1.621 4.382
156 H CYS 24 H CYS 24 0.450 -0.366 3.634
157 HA CYS 24 HA CYS 24 -0.665 -1.779 1.289
158 1HB CYS 24 2HB CYS 24 1.708 -1.780 1.515
159 2HB CYS 24 1HB CYS 24 1.620 -2.200 3.224
160 H SER 25 H SER 25 -1.394 -4.016 1.482
161 HA SER 25 HA SER 25 -2.400 -4.798 4.183
162 1HB SER 25 2HB SER 25 -3.865 -4.217 1.647
163 2HB SER 25 1HB SER 25 -4.475 -5.517 2.664
164 HG SER 25 HG SER 25 -5.156 -4.078 4.031
165 H LYS 26 H LYS 26 -1.413 -6.756 4.547
166 HA LYS 26 HA LYS 26 -0.500 -8.509 2.426
167 1HB LYS 26 2HB LYS 26 0.464 -8.302 4.735
168 2HB LYS 26 1HB LYS 26 -0.994 -9.064 5.371
169 1HG LYS 26 2HG LYS 26 -0.121 -10.732 3.270
170 2HG LYS 26 1HG LYS 26 1.330 -10.308 4.177
171 1HD LYS 26 2HD LYS 26 0.595 -12.136 5.403
172 2HD LYS 26 1HD LYS 26 -0.215 -10.829 6.267
173 1HE LYS 26 2HE LYS 26 -2.225 -11.202 4.754
174 2HE LYS 26 1HE LYS 26 -1.415 -12.671 4.173
175 1HZ LYS 26 1HZ LYS 26 -2.844 -13.153 6.075
176 2HZ LYS 26 2HZ LYS 26 -1.992 -12.026 7.019
177 3HZ LYS 26 3HZ LYS 26 -1.215 -13.430 6.456
178 H THR 27 H THR 27 -3.318 -8.474 4.590
179 HA THR 27 HA THR 27 -4.464 -10.989 3.843
180 HB THR 27 HB THR 27 -5.923 -8.443 4.630
181 HG1 THR 27 HG1 THR 27 -4.556 -10.332 6.253
182 1HG2 THR 27 1HG2 THR 27 -7.419 -10.255 4.083
183 2HG2 THR 27 2HG2 THR 27 -7.369 -10.116 5.841
184 3HG2 THR 27 3HG2 THR 27 -6.466 -11.396 5.030
185 H TRP 28 H TRP 28 -4.785 -7.728 2.474
186 HA TRP 28 HA TRP 28 -6.716 -8.570 0.423
187 1HB TRP 28 2HB TRP 28 -5.082 -6.035 0.810
188 2HB TRP 28 1HB TRP 28 -6.433 -6.210 -0.300
189 HD1 TRP 28 HD1 TRP 28 -7.575 -8.139 2.467
190 HE1 TRP 28 HE1 TRP 28 -8.991 -6.762 4.120
191 HE3 TRP 28 HE3 TRP 28 -6.340 -3.417 0.969
192 HZ2 TRP 28 HZ2 TRP 28 -9.537 -4.023 4.721
193 HZ3 TRP 28 HZ3 TRP 28 -7.322 -1.444 2.097
194 HH2 TRP 28 HH2 TRP 28 -8.920 -1.741 3.971
195 H GLY 29 H GLY 29 -3.262 -7.701 0.578
196 1HA GLY 29 2HA GLY 29 -1.582 -8.781 -0.784
197 2HA GLY 29 1HA GLY 29 -2.828 -9.163 -1.972
198 H TRP 30 H TRP 30 -2.988 -5.919 -0.764
199 HA TRP 30 HA TRP 30 -1.210 -4.860 -2.884
200 1HB TRP 30 2HB TRP 30 -2.988 -3.784 -4.096
201 2HB TRP 30 1HB TRP 30 -3.474 -5.460 -3.876
202 HD1 TRP 30 HD1 TRP 30 -3.990 -2.049 -2.117
203 HE1 TRP 30 HE1 TRP 30 -6.359 -2.011 -1.126
204 HE3 TRP 30 HE3 TRP 30 -5.534 -6.760 -3.343
205 HZ2 TRP 30 HZ2 TRP 30 -8.625 -3.742 -0.888
206 HZ3 TRP 30 HZ3 TRP 30 -7.807 -7.535 -2.726
207 HH2 TRP 30 HH2 TRP 30 -9.351 -6.032 -1.500
208 H CYS 31 H CYS 31 -1.594 -2.294 -2.898
209 HA CYS 31 HA CYS 31 -1.833 -1.379 -0.048
210 1HB CYS 31 2HB CYS 31 0.511 -1.583 -0.923
211 2HB CYS 31 1HB CYS 31 0.100 -0.426 -2.189
212 H ALA 32 H ALA 32 -3.329 0.220 0.183
213 HA ALA 32 HA ALA 32 -3.791 2.160 -2.021
214 1HB ALA 32 1HB ALA 32 -6.349 1.622 -1.444
215 2HB ALA 32 2HB ALA 32 -5.665 0.059 -0.996
216 3HB ALA 32 3HB ALA 32 -5.465 0.673 -2.637
217 H VAL 33 H VAL 33 -5.487 3.868 -1.152
218 HA VAL 33 HA VAL 33 -4.471 5.064 1.236
219 HB VAL 33 HB VAL 33 -7.119 5.411 -0.218
220 1HG1 VAL 33 1HG1 VAL 33 -7.249 6.383 2.015
221 2HG1 VAL 33 2HG1 VAL 33 -7.079 7.682 0.837
222 3HG1 VAL 33 3HG1 VAL 33 -5.688 7.176 1.795
223 1HG2 VAL 33 1HG2 VAL 33 -4.412 6.753 -0.464
224 2HG2 VAL 33 2HG2 VAL 33 -5.884 7.413 -1.174
225 3HG2 VAL 33 3HG2 VAL 33 -5.274 5.847 -1.708
226 H GLU 34 H GLU 34 -5.260 5.073 3.373
227 HA GLU 34 HA GLU 34 -7.118 2.846 4.075
228 1HB GLU 34 2HB GLU 34 -4.835 4.298 5.306
229 2HB GLU 34 1HB GLU 34 -6.107 3.806 6.422
230 1HG GLU 34 2HG GLU 34 -4.968 1.870 4.408
231 2HG GLU 34 1HG GLU 34 -4.195 2.120 5.973
232 H ALA 35 H ALA 35 -8.742 4.604 3.052
233 HA ALA 35 HA ALA 35 -9.573 6.598 5.109
234 1HB ALA 35 1HB ALA 35 -9.174 7.158 2.666
235 2HB ALA 35 2HB ALA 35 -10.768 7.611 3.271
236 3HB ALA 35 3HB ALA 35 -10.578 6.163 2.282
237 HA PRO 36 HA PRO 36 -12.668 3.494 6.159
238 1HB PRO 36 2HB PRO 36 -13.601 4.804 8.374
239 2HB PRO 36 1HB PRO 36 -12.122 3.822 8.380
240 1HG PRO 36 2HG PRO 36 -12.430 6.777 8.214
241 2HG PRO 36 1HG PRO 36 -11.229 5.814 9.088
242 1HD PRO 36 2HD PRO 36 -10.718 7.051 6.716
243 2HD PRO 36 1HD PRO 36 -9.890 5.571 7.247
Start of MODEL 7
1 1H ASP 1 1H ASP 1 15.579 1.847 2.563
2 2H ASP 1 2H ASP 1 14.532 0.583 2.121
3 3H ASP 1 3H ASP 1 13.900 2.053 2.693
4 HA ASP 1 HA ASP 1 14.854 3.195 0.724
5 1HB ASP 1 2HB ASP 1 15.933 0.454 0.520
6 2HB ASP 1 1HB ASP 1 15.325 1.096 -1.005
7 H GLY 2 H GLY 2 13.745 2.834 -1.567
8 1HA GLY 2 2HA GLY 2 11.860 1.745 -2.749
9 2HA GLY 2 1HA GLY 2 11.097 1.496 -1.178
10 H GLU 3 H GLU 3 10.401 3.110 -3.748
11 HA GLU 3 HA GLU 3 10.135 5.854 -2.649
12 1HB GLU 3 2HB GLU 3 10.397 4.613 -5.191
13 2HB GLU 3 1HB GLU 3 8.805 5.372 -5.170
14 1HG GLU 3 2HG GLU 3 9.701 7.518 -4.748
15 2HG GLU 3 1HG GLU 3 11.254 6.862 -4.227
16 H CYS 4 H CYS 4 7.709 6.657 -3.669
17 HA CYS 4 HA CYS 4 5.817 5.325 -1.829
18 1HB CYS 4 2HB CYS 4 4.911 7.406 -1.760
19 2HB CYS 4 1HB CYS 4 6.322 7.927 -2.672
20 H GLY 5 H GLY 5 3.811 4.436 -2.524
21 1HA GLY 5 2HA GLY 5 3.888 3.186 -5.175
22 2HA GLY 5 1HA GLY 5 2.690 2.881 -3.920
23 H GLY 6 H GLY 6 0.761 3.307 -4.916
24 1HA GLY 6 2HA GLY 6 0.296 6.081 -5.846
25 2HA GLY 6 1HA GLY 6 -0.056 4.778 -6.982
26 H PHE 7 H PHE 7 -2.329 5.126 -6.992
27 HA PHE 7 HA PHE 7 -3.888 5.271 -4.526
28 1HB PHE 7 2HB PHE 7 -4.287 6.161 -6.984
29 2HB PHE 7 1HB PHE 7 -5.003 4.569 -7.228
30 HD1 PHE 7 HD1 PHE 7 -7.127 3.996 -6.276
31 HD2 PHE 7 HD2 PHE 7 -5.199 7.684 -5.208
32 HE1 PHE 7 HE1 PHE 7 -9.209 4.765 -5.169
33 HE2 PHE 7 HE2 PHE 7 -7.282 8.452 -4.101
34 HZ PHE 7 HZ PHE 7 -9.286 6.992 -4.082
35 H TRP 8 H TRP 8 -2.955 2.675 -6.746
36 HA TRP 8 HA TRP 8 -3.968 0.683 -4.800
37 1HB TRP 8 2HB TRP 8 -5.600 1.558 -6.838
38 2HB TRP 8 1HB TRP 8 -4.836 0.150 -7.576
39 HD1 TRP 8 HD1 TRP 8 -4.755 -2.050 -5.675
40 HE1 TRP 8 HE1 TRP 8 -6.785 -2.955 -4.369
41 HE3 TRP 8 HE3 TRP 8 -7.854 2.000 -5.940
42 HZ2 TRP 8 HZ2 TRP 8 -9.378 -2.077 -3.543
43 HZ3 TRP 8 HZ3 TRP 8 -10.095 1.938 -4.887
44 HH2 TRP 8 HH2 TRP 8 -10.861 -0.093 -3.689
45 H TRP 9 H TRP 9 -1.469 0.609 -4.860
46 HA TRP 9 HA TRP 9 -0.414 -0.915 -7.213
47 1HB TRP 9 2HB TRP 9 0.831 0.599 -4.900
48 2HB TRP 9 1HB TRP 9 1.784 -0.367 -6.020
49 HD1 TRP 9 HD1 TRP 9 -1.210 1.633 -7.284
50 HE1 TRP 9 HE1 TRP 9 -0.366 3.537 -8.791
51 HE3 TRP 9 HE3 TRP 9 3.822 1.205 -6.516
52 HZ2 TRP 9 HZ2 TRP 9 2.097 4.732 -9.556
53 HZ3 TRP 9 HZ3 TRP 9 5.392 2.746 -7.653
54 HH2 TRP 9 HH2 TRP 9 4.539 4.505 -9.177
55 H LYS 10 H LYS 10 1.304 -2.661 -6.436
56 HA LYS 10 HA LYS 10 -0.110 -4.443 -4.539
57 1HB LYS 10 2HB LYS 10 1.854 -4.636 -6.723
58 2HB LYS 10 1HB LYS 10 2.194 -5.718 -5.373
59 1HG LYS 10 2HG LYS 10 0.539 -7.095 -6.023
60 2HG LYS 10 1HG LYS 10 -0.627 -5.778 -5.899
61 1HD LYS 10 2HD LYS 10 -0.552 -5.312 -8.146
62 2HD LYS 10 1HD LYS 10 1.146 -5.766 -8.290
63 1HE LYS 10 2HE LYS 10 -0.046 -7.478 -9.459
64 2HE LYS 10 1HE LYS 10 0.329 -8.198 -7.881
65 1HZ LYS 10 1HZ LYS 10 -2.050 -8.403 -8.536
66 2HZ LYS 10 2HZ LYS 10 -2.177 -6.711 -8.471
67 3HZ LYS 10 3HZ LYS 10 -1.817 -7.594 -7.063
68 H CYS 11 H CYS 11 0.786 -5.158 -2.577
69 HA CYS 11 HA CYS 11 3.457 -4.174 -1.773
70 1HB CYS 11 2HB CYS 11 1.919 -2.345 -1.262
71 2HB CYS 11 1HB CYS 11 0.834 -3.456 -0.432
72 H GLY 12 H GLY 12 4.167 -5.179 0.271
73 1HA GLY 12 2HA GLY 12 2.916 -7.848 0.666
74 2HA GLY 12 1HA GLY 12 4.538 -7.388 1.190
75 H ARG 13 H ARG 13 4.643 -7.287 3.382
76 HA ARG 13 HA ARG 13 2.214 -6.703 4.966
77 1HB ARG 13 2HB ARG 13 4.185 -8.463 5.309
78 2HB ARG 13 1HB ARG 13 4.951 -7.097 6.123
79 1HG ARG 13 2HG ARG 13 2.108 -7.800 6.791
80 2HG ARG 13 1HG ARG 13 3.420 -8.742 7.497
81 1HD ARG 13 2HD ARG 13 4.394 -6.280 7.988
82 2HD ARG 13 1HD ARG 13 2.662 -5.900 7.990
83 HE ARG 13 HE ARG 13 2.407 -7.802 9.653
84 1HH1 ARG 13 1HH2 ARG 13 4.055 -5.343 10.640
85 2HH1 ARG 13 2HH2 ARG 13 5.304 -6.154 11.523
86 1HH2 ARG 13 1HH1 ARG 13 4.625 -9.271 10.143
87 2HH2 ARG 13 2HH1 ARG 13 5.628 -8.383 11.241
88 H GLY 14 H GLY 14 5.374 -5.276 4.271
89 1HA GLY 14 2HA GLY 14 4.444 -2.590 4.698
90 2HA GLY 14 1HA GLY 14 5.387 -3.127 6.089
91 H LYS 15 H LYS 15 5.949 -4.111 2.723
92 HA LYS 15 HA LYS 15 8.737 -3.162 2.970
93 1HB LYS 15 2HB LYS 15 7.200 -5.136 1.436
94 2HB LYS 15 1HB LYS 15 8.428 -4.310 0.476
95 1HG LYS 15 2HG LYS 15 9.958 -4.784 2.572
96 2HG LYS 15 1HG LYS 15 8.769 -6.044 2.902
97 1HD LYS 15 2HD LYS 15 9.444 -7.319 1.141
98 2HD LYS 15 1HD LYS 15 9.678 -5.920 0.094
99 1HE LYS 15 2HE LYS 15 11.873 -6.825 0.464
100 2HE LYS 15 1HE LYS 15 11.767 -5.407 1.524
101 1HZ LYS 15 1HZ LYS 15 12.546 -7.528 2.616
102 2HZ LYS 15 2HZ LYS 15 10.970 -8.125 2.406
103 3HZ LYS 15 3HZ LYS 15 11.241 -6.752 3.371
104 HA PRO 16 HA PRO 16 7.628 -0.545 -0.798
105 1HB PRO 16 2HB PRO 16 5.272 -0.934 -2.127
106 2HB PRO 16 1HB PRO 16 6.739 -1.869 -2.477
107 1HG PRO 16 2HG PRO 16 4.325 -2.642 -0.946
108 2HG PRO 16 1HG PRO 16 5.380 -3.626 -1.966
109 1HD PRO 16 2HD PRO 16 5.433 -3.585 0.802
110 2HD PRO 16 1HD PRO 16 6.760 -4.138 -0.241
111 HA PRO 17 HA PRO 17 4.969 1.843 1.955
112 1HB PRO 17 2HB PRO 17 6.259 4.228 1.593
113 2HB PRO 17 1HB PRO 17 6.858 2.963 2.682
114 1HG PRO 17 2HG PRO 17 7.785 3.721 -0.024
115 2HG PRO 17 1HG PRO 17 8.704 3.104 1.353
116 1HD PRO 17 2HD PRO 17 7.924 1.608 -0.844
117 2HD PRO 17 1HD PRO 17 8.397 0.944 0.734
118 H CYS 18 H CYS 18 2.976 2.343 1.076
119 HA CYS 18 HA CYS 18 2.589 3.264 -1.640
120 1HB CYS 18 2HB CYS 18 1.044 2.150 0.346
121 2HB CYS 18 1HB CYS 18 0.487 3.820 0.368
122 H CYS 19 H CYS 19 1.773 5.437 -2.246
123 HA CYS 19 HA CYS 19 3.273 7.591 -1.134
124 1HB CYS 19 2HB CYS 19 1.534 7.090 -3.301
125 2HB CYS 19 1HB CYS 19 0.841 8.465 -2.442
126 H LYS 20 H LYS 20 2.575 9.396 0.158
127 HA LYS 20 HA LYS 20 1.256 8.932 2.538
128 1HB LYS 20 2HB LYS 20 1.894 11.279 0.846
129 2HB LYS 20 1HB LYS 20 0.680 11.562 2.093
130 1HG LYS 20 2HG LYS 20 2.191 11.368 3.782
131 2HG LYS 20 1HG LYS 20 3.020 10.016 3.012
132 1HD LYS 20 2HD LYS 20 3.291 12.733 1.778
133 2HD LYS 20 1HD LYS 20 4.205 12.388 3.247
134 1HE LYS 20 2HE LYS 20 5.315 10.507 2.208
135 2HE LYS 20 1HE LYS 20 4.261 10.606 0.785
136 1HZ LYS 20 1HZ LYS 20 6.111 12.738 1.727
137 2HZ LYS 20 2HZ LYS 20 5.076 12.852 0.384
138 3HZ LYS 20 3HZ LYS 20 6.362 11.740 0.378
139 H GLY 21 H GLY 21 -0.839 8.512 3.107
140 1HA GLY 21 2HA GLY 21 -3.220 9.160 3.018
141 2HA GLY 21 1HA GLY 21 -3.024 9.441 1.289
142 H TYR 22 H TYR 22 -1.400 6.943 0.978
143 HA TYR 22 HA TYR 22 -3.689 5.029 0.950
144 1HB TYR 22 2HB TYR 22 -1.045 4.739 -0.486
145 2HB TYR 22 1HB TYR 22 -2.611 4.069 -0.934
146 HD1 TYR 22 HD1 TYR 22 -4.430 6.331 -0.806
147 HD2 TYR 22 HD2 TYR 22 -0.365 6.200 -2.176
148 HE1 TYR 22 HE1 TYR 22 -4.852 8.303 -2.250
149 HE2 TYR 22 HE2 TYR 22 -0.785 8.172 -3.616
150 HH TYR 22 HH TYR 22 -2.878 10.252 -3.321
151 H ALA 23 H ALA 23 -3.612 3.266 2.287
152 HA ALA 23 HA ALA 23 -1.104 2.733 3.822
153 1HB ALA 23 1HB ALA 23 -2.546 1.881 5.477
154 2HB ALA 23 2HB ALA 23 -3.807 1.492 4.306
155 3HB ALA 23 3HB ALA 23 -3.520 3.169 4.767
156 H CYS 24 H CYS 24 -0.211 0.591 3.833
157 HA CYS 24 HA CYS 24 -0.863 -1.027 1.441
158 1HB CYS 24 2HB CYS 24 1.450 -0.672 1.820
159 2HB CYS 24 1HB CYS 24 1.297 -0.965 3.550
160 H SER 25 H SER 25 -1.224 -3.370 1.645
161 HA SER 25 HA SER 25 -2.222 -4.299 4.293
162 1HB SER 25 2HB SER 25 -3.807 -3.415 2.082
163 2HB SER 25 1HB SER 25 -4.045 -5.148 2.273
164 HG SER 25 HG SER 25 -5.093 -3.224 3.707
165 H LYS 26 H LYS 26 -1.280 -6.255 4.668
166 HA LYS 26 HA LYS 26 -0.071 -7.841 2.537
167 1HB LYS 26 2HB LYS 26 0.904 -7.725 4.769
168 2HB LYS 26 1HB LYS 26 -0.594 -8.303 5.493
169 1HG LYS 26 2HG LYS 26 0.494 -10.319 5.394
170 2HG LYS 26 1HG LYS 26 -0.151 -10.318 3.753
171 1HD LYS 26 2HD LYS 26 2.192 -8.843 3.521
172 2HD LYS 26 1HD LYS 26 2.625 -10.120 4.655
173 1HE LYS 26 2HE LYS 26 1.188 -10.702 2.047
174 2HE LYS 26 1HE LYS 26 2.957 -10.704 2.187
175 1HZ LYS 26 1HZ LYS 26 2.248 -12.900 2.660
176 2HZ LYS 26 2HZ LYS 26 1.015 -12.367 3.699
177 3HZ LYS 26 3HZ LYS 26 2.645 -12.209 4.157
178 H THR 27 H THR 27 -2.947 -8.122 4.617
179 HA THR 27 HA THR 27 -3.869 -10.684 3.781
180 HB THR 27 HB THR 27 -5.498 -8.227 4.527
181 HG1 THR 27 HG1 THR 27 -4.934 -8.583 6.547
182 1HG2 THR 27 1HG2 THR 27 -7.231 -9.647 4.357
183 2HG2 THR 27 2HG2 THR 27 -6.530 -10.582 5.678
184 3HG2 THR 27 3HG2 THR 27 -6.150 -10.996 4.006
185 H TRP 28 H TRP 28 -4.309 -7.456 2.381
186 HA TRP 28 HA TRP 28 -6.048 -8.456 0.217
187 1HB TRP 28 2HB TRP 28 -4.736 -5.761 0.732
188 2HB TRP 28 1HB TRP 28 -6.006 -6.067 -0.444
189 HD1 TRP 28 HD1 TRP 28 -7.098 -8.160 2.201
190 HE1 TRP 28 HE1 TRP 28 -8.722 -6.978 3.813
191 HE3 TRP 28 HE3 TRP 28 -6.233 -3.287 0.923
192 HZ2 TRP 28 HZ2 TRP 28 -9.553 -4.327 4.472
193 HZ3 TRP 28 HZ3 TRP 28 -7.457 -1.456 2.061
194 HH2 TRP 28 HH2 TRP 28 -9.114 -1.973 3.831
195 H GLY 29 H GLY 29 -2.701 -7.354 0.681
196 1HA GLY 29 2HA GLY 29 -0.827 -8.143 -0.586
197 2HA GLY 29 1HA GLY 29 -1.933 -8.683 -1.846
198 H TRP 30 H TRP 30 -2.549 -5.482 -0.673
199 HA TRP 30 HA TRP 30 -0.804 -4.217 -2.702
200 1HB TRP 30 2HB TRP 30 -2.613 -3.404 -4.045
201 2HB TRP 30 1HB TRP 30 -2.936 -5.113 -3.788
202 HD1 TRP 30 HD1 TRP 30 -3.892 -1.727 -2.162
203 HE1 TRP 30 HE1 TRP 30 -6.321 -1.897 -1.344
204 HE3 TRP 30 HE3 TRP 30 -4.892 -6.585 -3.377
205 HZ2 TRP 30 HZ2 TRP 30 -8.427 -3.831 -1.227
206 HZ3 TRP 30 HZ3 TRP 30 -7.122 -7.561 -2.908
207 HH2 TRP 30 HH2 TRP 30 -8.888 -6.191 -1.834
208 H CYS 31 H CYS 31 -1.427 -1.710 -2.732
209 HA CYS 31 HA CYS 31 -2.119 -0.851 0.050
210 1HB CYS 31 2HB CYS 31 -0.199 0.538 0.137
211 2HB CYS 31 1HB CYS 31 0.388 -0.960 -0.574
212 H ALA 32 H ALA 32 -3.698 0.649 0.062
213 HA ALA 32 HA ALA 32 -3.994 2.586 -2.189
214 1HB ALA 32 1HB ALA 32 -6.241 0.777 -1.237
215 2HB ALA 32 2HB ALA 32 -5.253 0.426 -2.655
216 3HB ALA 32 3HB ALA 32 -6.266 1.869 -2.622
217 H VAL 33 H VAL 33 -6.147 3.971 -1.552
218 HA VAL 33 HA VAL 33 -5.566 5.364 0.872
219 HB VAL 33 HB VAL 33 -8.221 5.205 -0.595
220 1HG1 VAL 33 1HG1 VAL 33 -8.240 7.662 0.190
221 2HG1 VAL 33 2HG1 VAL 33 -6.932 7.195 1.276
222 3HG1 VAL 33 3HG1 VAL 33 -8.511 6.426 1.419
223 1HG2 VAL 33 1HG2 VAL 33 -7.411 6.584 -2.241
224 2HG2 VAL 33 2HG2 VAL 33 -5.887 5.800 -1.833
225 3HG2 VAL 33 3HG2 VAL 33 -6.273 7.383 -1.159
226 H GLU 34 H GLU 34 -6.278 5.083 2.976
227 HA GLU 34 HA GLU 34 -8.091 2.751 3.501
228 1HB GLU 34 2HB GLU 34 -5.508 3.486 4.428
229 2HB GLU 34 1HB GLU 34 -6.604 3.668 5.796
230 1HG GLU 34 2HG GLU 34 -7.409 1.280 4.592
231 2HG GLU 34 1HG GLU 34 -5.649 1.232 4.513
232 H ALA 35 H ALA 35 -10.127 3.510 3.912
233 HA ALA 35 HA ALA 35 -10.729 6.171 4.857
234 1HB ALA 35 1HB ALA 35 -12.992 4.743 5.305
235 2HB ALA 35 2HB ALA 35 -12.144 3.631 4.229
236 3HB ALA 35 3HB ALA 35 -12.495 5.275 3.699
237 HA PRO 36 HA PRO 36 -11.624 4.082 9.078
238 1HB PRO 36 2HB PRO 36 -10.773 1.511 9.474
239 2HB PRO 36 1HB PRO 36 -12.383 1.913 8.844
240 1HG PRO 36 2HG PRO 36 -9.951 1.013 7.388
241 2HG PRO 36 1HG PRO 36 -11.649 0.594 7.116
242 1HD PRO 36 2HD PRO 36 -10.279 2.398 5.598
243 2HD PRO 36 1HD PRO 36 -12.038 2.452 5.842
Start of MODEL 8
1 1H ASP 1 1H ASP 1 6.769 11.099 -4.116
2 2H ASP 1 2H ASP 1 7.847 12.413 -4.131
3 3H ASP 1 3H ASP 1 6.573 12.369 -3.008
4 HA ASP 1 HA ASP 1 8.595 11.786 -1.864
5 1HB ASP 1 2HB ASP 1 6.302 10.636 -1.552
6 2HB ASP 1 1HB ASP 1 7.008 9.269 -2.411
7 H GLY 2 H GLY 2 10.487 10.412 -1.744
8 1HA GLY 2 2HA GLY 2 11.730 9.783 -4.255
9 2HA GLY 2 1HA GLY 2 12.340 9.307 -2.670
10 H GLU 3 H GLU 3 10.646 7.585 -1.632
11 HA GLU 3 HA GLU 3 10.395 5.413 -3.684
12 1HB GLU 3 2HB GLU 3 11.561 5.627 -1.063
13 2HB GLU 3 1HB GLU 3 10.254 4.445 -1.003
14 1HG GLU 3 2HG GLU 3 12.098 3.151 -1.673
15 2HG GLU 3 1HG GLU 3 11.296 3.517 -3.201
16 H CYS 4 H CYS 4 8.259 5.557 -4.375
17 HA CYS 4 HA CYS 4 6.145 5.173 -2.306
18 1HB CYS 4 2HB CYS 4 5.709 7.398 -2.511
19 2HB CYS 4 1HB CYS 4 6.673 7.537 -3.976
20 H GLY 5 H GLY 5 4.117 4.357 -3.263
21 1HA GLY 5 2HA GLY 5 4.603 2.848 -5.781
22 2HA GLY 5 1HA GLY 5 3.455 2.376 -4.526
23 H GLY 6 H GLY 6 1.359 2.907 -4.892
24 1HA GLY 6 2HA GLY 6 0.680 5.385 -6.344
25 2HA GLY 6 1HA GLY 6 0.165 3.883 -7.104
26 H PHE 7 H PHE 7 -2.088 4.479 -6.779
27 HA PHE 7 HA PHE 7 -3.092 4.862 -4.032
28 1HB PHE 7 2HB PHE 7 -3.857 5.633 -6.575
29 2HB PHE 7 1HB PHE 7 -5.004 4.343 -6.214
30 HD1 PHE 7 HD1 PHE 7 -3.690 7.620 -5.087
31 HD2 PHE 7 HD2 PHE 7 -6.683 4.595 -4.499
32 HE1 PHE 7 HE1 PHE 7 -4.961 9.163 -3.622
33 HE2 PHE 7 HE2 PHE 7 -7.955 6.141 -3.033
34 HZ PHE 7 HZ PHE 7 -7.093 8.425 -2.595
35 H TRP 8 H TRP 8 -3.013 2.283 -6.462
36 HA TRP 8 HA TRP 8 -3.914 0.363 -4.365
37 1HB TRP 8 2HB TRP 8 -5.882 1.105 -5.680
38 2HB TRP 8 1HB TRP 8 -5.066 0.636 -7.168
39 HD1 TRP 8 HD1 TRP 8 -4.661 -1.611 -4.145
40 HE1 TRP 8 HE1 TRP 8 -5.936 -3.813 -4.548
41 HE3 TRP 8 HE3 TRP 8 -7.202 -0.396 -8.407
42 HZ2 TRP 8 HZ2 TRP 8 -7.786 -4.915 -6.425
43 HZ3 TRP 8 HZ3 TRP 8 -8.715 -2.042 -9.478
44 HH2 TRP 8 HH2 TRP 8 -9.009 -4.297 -8.493
45 H TRP 9 H TRP 9 -1.480 0.033 -4.561
46 HA TRP 9 HA TRP 9 -0.674 -1.521 -6.995
47 1HB TRP 9 2HB TRP 9 0.747 -0.014 -4.788
48 2HB TRP 9 1HB TRP 9 1.627 -1.142 -5.815
49 HD1 TRP 9 HD1 TRP 9 -1.213 1.003 -7.218
50 HE1 TRP 9 HE1 TRP 9 -0.228 2.687 -8.897
51 HE3 TRP 9 HE3 TRP 9 3.774 0.167 -6.490
52 HZ2 TRP 9 HZ2 TRP 9 2.320 3.575 -9.797
53 HZ3 TRP 9 HZ3 TRP 9 5.455 1.452 -7.778
54 HH2 TRP 9 HH2 TRP 9 4.738 3.150 -9.434
55 H LYS 10 H LYS 10 0.724 -3.513 -6.488
56 HA LYS 10 HA LYS 10 -0.565 -5.065 -4.315
57 1HB LYS 10 2HB LYS 10 0.953 -5.568 -6.812
58 2HB LYS 10 1HB LYS 10 1.196 -6.750 -5.527
59 1HG LYS 10 2HG LYS 10 -0.693 -7.688 -6.406
60 2HG LYS 10 1HG LYS 10 -1.499 -6.485 -5.400
61 1HD LYS 10 2HD LYS 10 -2.231 -5.321 -7.197
62 2HD LYS 10 1HD LYS 10 -0.658 -5.406 -7.992
63 1HE LYS 10 2HE LYS 10 -1.416 -7.987 -8.276
64 2HE LYS 10 1HE LYS 10 -3.011 -7.210 -8.271
65 1HZ LYS 10 1HZ LYS 10 -2.195 -5.624 -9.916
66 2HZ LYS 10 2HZ LYS 10 -2.079 -7.214 -10.500
67 3HZ LYS 10 3HZ LYS 10 -0.691 -6.406 -9.949
68 H CYS 11 H CYS 11 0.482 -5.689 -2.447
69 HA CYS 11 HA CYS 11 3.426 -5.467 -2.276
70 1HB CYS 11 2HB CYS 11 3.308 -3.896 -0.412
71 2HB CYS 11 1HB CYS 11 2.415 -3.225 -1.774
72 H GLY 12 H GLY 12 4.144 -6.228 0.022
73 1HA GLY 12 2HA GLY 12 2.575 -8.649 0.700
74 2HA GLY 12 1HA GLY 12 4.223 -8.306 1.225
75 H ARG 13 H ARG 13 4.308 -7.996 3.394
76 HA ARG 13 HA ARG 13 1.919 -7.032 4.863
77 1HB ARG 13 2HB ARG 13 3.959 -8.870 5.318
78 2HB ARG 13 1HB ARG 13 4.399 -7.515 6.356
79 1HG ARG 13 2HG ARG 13 1.532 -8.309 6.376
80 2HG ARG 13 1HG ARG 13 2.662 -9.440 7.121
81 1HD ARG 13 2HD ARG 13 3.612 -7.287 8.312
82 2HD ARG 13 1HD ARG 13 2.016 -6.614 7.928
83 HE ARG 13 HE ARG 13 1.990 -9.307 9.133
84 1HH1 ARG 13 1HH1 ARG 13 -0.341 -7.440 9.251
85 2HH1 ARG 13 2HH1 ARG 13 -0.263 -6.851 10.878
86 1HH2 ARG 13 1HH2 ARG 13 3.018 -7.886 11.373
87 2HH2 ARG 13 2HH2 ARG 13 1.644 -7.104 12.081
88 H GLY 14 H GLY 14 3.683 -5.222 3.094
89 1HA GLY 14 2HA GLY 14 3.771 -2.798 3.522
90 2HA GLY 14 1HA GLY 14 4.226 -3.161 5.187
91 H LYS 15 H LYS 15 5.540 -4.720 2.277
92 HA LYS 15 HA LYS 15 8.269 -4.149 3.178
93 1HB LYS 15 2HB LYS 15 6.860 -5.925 1.339
94 2HB LYS 15 1HB LYS 15 8.361 -5.310 0.648
95 1HG LYS 15 2HG LYS 15 9.521 -5.973 2.791
96 2HG LYS 15 1HG LYS 15 8.026 -6.771 3.281
97 1HD LYS 15 2HD LYS 15 8.839 -7.496 0.566
98 2HD LYS 15 1HD LYS 15 10.055 -7.921 1.770
99 1HE LYS 15 2HE LYS 15 8.735 -9.810 1.963
100 2HE LYS 15 1HE LYS 15 7.819 -8.764 3.065
101 1HZ LYS 15 1HZ LYS 15 6.444 -8.047 1.235
102 2HZ LYS 15 2HZ LYS 15 6.405 -9.743 1.324
103 3HZ LYS 15 3HZ LYS 15 7.344 -8.974 0.135
104 HA PRO 16 HA PRO 16 8.455 -1.648 -0.886
105 1HB PRO 16 2HB PRO 16 6.157 -1.294 -2.329
106 2HB PRO 16 1HB PRO 16 7.243 -2.676 -2.566
107 1HG PRO 16 2HG PRO 16 4.666 -2.527 -1.097
108 2HG PRO 16 1HG PRO 16 5.329 -3.836 -2.085
109 1HD PRO 16 2HD PRO 16 5.352 -3.813 0.657
110 2HD PRO 16 1HD PRO 16 6.506 -4.724 -0.341
111 HA PRO 17 HA PRO 17 6.896 1.834 1.422
112 1HB PRO 17 2HB PRO 17 8.416 3.755 0.199
113 2HB PRO 17 1HB PRO 17 9.054 2.648 1.430
114 1HG PRO 17 2HG PRO 17 9.343 2.561 -1.526
115 2HG PRO 17 1HG PRO 17 10.505 2.130 -0.262
116 1HD PRO 17 2HD PRO 17 9.050 0.305 -1.700
117 2HD PRO 17 1HD PRO 17 9.707 0.003 -0.077
118 H CYS 18 H CYS 18 4.838 2.456 0.878
119 HA CYS 18 HA CYS 18 4.082 3.129 -1.883
120 1HB CYS 18 2HB CYS 18 2.618 3.106 0.776
121 2HB CYS 18 1HB CYS 18 1.840 3.386 -0.781
122 H CYS 19 H CYS 19 2.502 5.211 -1.908
123 HA CYS 19 HA CYS 19 4.189 7.528 -1.383
124 1HB CYS 19 2HB CYS 19 1.789 6.805 -2.846
125 2HB CYS 19 1HB CYS 19 1.552 8.330 -1.993
126 H LYS 20 H LYS 20 3.719 9.251 0.094
127 HA LYS 20 HA LYS 20 2.918 8.584 2.703
128 1HB LYS 20 2HB LYS 20 4.170 10.631 1.591
129 2HB LYS 20 1HB LYS 20 2.562 11.358 1.614
130 1HG LYS 20 2HG LYS 20 2.496 11.476 3.910
131 2HG LYS 20 1HG LYS 20 3.479 10.027 4.119
132 1HD LYS 20 2HD LYS 20 4.693 12.521 2.948
133 2HD LYS 20 1HD LYS 20 4.530 12.349 4.696
134 1HE LYS 20 2HE LYS 20 5.748 10.089 3.122
135 2HE LYS 20 1HE LYS 20 6.739 11.504 3.527
136 1HZ LYS 20 1HZ LYS 20 5.162 9.856 5.437
137 2HZ LYS 20 2HZ LYS 20 5.999 11.277 5.845
138 3HZ LYS 20 3HZ LYS 20 6.853 9.907 5.318
139 H GLY 21 H GLY 21 0.898 7.930 3.341
140 1HA GLY 21 2HA GLY 21 -1.406 8.907 3.800
141 2HA GLY 21 1HA GLY 21 -1.479 9.234 2.068
142 H TYR 22 H TYR 22 -0.176 6.719 1.309
143 HA TYR 22 HA TYR 22 -2.532 4.930 1.576
144 1HB TYR 22 2HB TYR 22 -0.023 4.544 -0.081
145 2HB TYR 22 1HB TYR 22 -1.612 3.839 -0.356
146 HD1 TYR 22 HD1 TYR 22 -3.232 6.404 0.200
147 HD2 TYR 22 HD2 TYR 22 0.248 5.635 -2.195
148 HE1 TYR 22 HE1 TYR 22 -3.818 8.316 -1.267
149 HE2 TYR 22 HE2 TYR 22 -0.336 7.545 -3.659
150 HH TYR 22 HH TYR 22 -1.639 9.441 -3.791
151 H ALA 23 H ALA 23 -2.320 2.764 2.341
152 HA ALA 23 HA ALA 23 0.232 2.115 3.788
153 1HB ALA 23 1HB ALA 23 -1.464 2.774 5.381
154 2HB ALA 23 2HB ALA 23 -1.340 1.017 5.456
155 3HB ALA 23 3HB ALA 23 -2.675 1.769 4.584
156 H CYS 24 H CYS 24 0.808 -0.142 3.752
157 HA CYS 24 HA CYS 24 -0.352 -1.657 1.491
158 1HB CYS 24 2HB CYS 24 2.043 -1.532 1.667
159 2HB CYS 24 1HB CYS 24 2.000 -2.029 3.357
160 H SER 25 H SER 25 -1.034 -3.895 1.762
161 HA SER 25 HA SER 25 -1.837 -4.692 4.524
162 1HB SER 25 2HB SER 25 -3.576 -4.316 2.080
163 2HB SER 25 1HB SER 25 -4.101 -5.257 3.472
164 HG SER 25 HG SER 25 -4.277 -3.475 4.619
165 H LYS 26 H LYS 26 -1.452 -6.846 4.865
166 HA LYS 26 HA LYS 26 -0.504 -8.526 2.635
167 1HB LYS 26 2HB LYS 26 0.711 -8.653 4.691
168 2HB LYS 26 1HB LYS 26 -0.766 -8.811 5.638
169 1HG LYS 26 2HG LYS 26 0.318 -10.992 5.472
170 2HG LYS 26 1HG LYS 26 -1.183 -11.021 4.548
171 1HD LYS 26 2HD LYS 26 0.242 -10.404 2.505
172 2HD LYS 26 1HD LYS 26 1.645 -10.801 3.499
173 1HE LYS 26 2HE LYS 26 1.297 -12.918 2.670
174 2HE LYS 26 1HE LYS 26 0.061 -12.997 3.941
175 1HZ LYS 26 1HZ LYS 26 -0.352 -12.077 1.142
176 2HZ LYS 26 2HZ LYS 26 -1.533 -12.033 2.363
177 3HZ LYS 26 3HZ LYS 26 -0.930 -13.522 1.814
178 H THR 27 H THR 27 -3.193 -8.524 4.984
179 HA THR 27 HA THR 27 -4.512 -10.904 4.125
180 HB THR 27 HB THR 27 -5.805 -8.340 5.117
181 HG1 THR 27 HG1 THR 27 -4.944 -8.695 7.006
182 1HG2 THR 27 1HG2 THR 27 -6.982 -10.680 4.413
183 2HG2 THR 27 2HG2 THR 27 -7.602 -9.628 5.686
184 3HG2 THR 27 3HG2 THR 27 -6.604 -11.021 6.101
185 H TRP 28 H TRP 28 -4.699 -7.554 2.981
186 HA TRP 28 HA TRP 28 -6.747 -8.136 0.956
187 1HB TRP 28 2HB TRP 28 -4.944 -5.737 1.451
188 2HB TRP 28 1HB TRP 28 -6.351 -5.750 0.397
189 HD1 TRP 28 HD1 TRP 28 -7.546 -7.812 3.010
190 HE1 TRP 28 HE1 TRP 28 -8.785 -6.503 4.849
191 HE3 TRP 28 HE3 TRP 28 -5.954 -3.073 1.953
192 HZ2 TRP 28 HZ2 TRP 28 -9.072 -3.811 5.751
193 HZ3 TRP 28 HZ3 TRP 28 -6.730 -1.157 3.320
194 HH2 TRP 28 HH2 TRP 28 -8.286 -1.521 5.215
195 H GLY 29 H GLY 29 -3.238 -7.496 1.043
196 1HA GLY 29 2HA GLY 29 -1.648 -8.525 -0.431
197 2HA GLY 29 1HA GLY 29 -2.955 -8.898 -1.551
198 H TRP 30 H TRP 30 -2.957 -5.639 -0.336
199 HA TRP 30 HA TRP 30 -1.307 -4.657 -2.590
200 1HB TRP 30 2HB TRP 30 -3.116 -3.550 -3.699
201 2HB TRP 30 1HB TRP 30 -3.676 -5.186 -3.382
202 HD1 TRP 30 HD1 TRP 30 -3.871 -1.697 -1.713
203 HE1 TRP 30 HE1 TRP 30 -6.162 -1.485 -0.574
204 HE3 TRP 30 HE3 TRP 30 -5.761 -6.345 -2.660
205 HZ2 TRP 30 HZ2 TRP 30 -8.504 -3.068 -0.124
206 HZ3 TRP 30 HZ3 TRP 30 -8.028 -6.963 -1.870
207 HH2 TRP 30 HH2 TRP 30 -9.399 -5.330 -0.604
208 H CYS 31 H CYS 31 -1.542 -2.113 -2.619
209 HA CYS 31 HA CYS 31 -1.488 -1.139 0.215
210 1HB CYS 31 2HB CYS 31 0.719 -1.483 -1.014
211 2HB CYS 31 1HB CYS 31 0.213 -0.199 -2.113
212 H ALA 32 H ALA 32 -3.095 0.316 0.523
213 HA ALA 32 HA ALA 32 -3.615 2.415 -1.518
214 1HB ALA 32 1HB ALA 32 -5.781 0.621 -0.372
215 2HB ALA 32 2HB ALA 32 -5.056 0.386 -1.963
216 3HB ALA 32 3HB ALA 32 -5.976 1.852 -1.621
217 H VAL 33 H VAL 33 -5.472 3.910 -0.493
218 HA VAL 33 HA VAL 33 -4.490 5.020 1.942
219 HB VAL 33 HB VAL 33 -7.239 5.203 0.653
220 1HG1 VAL 33 1HG1 VAL 33 -7.301 6.062 2.927
221 2HG1 VAL 33 2HG1 VAL 33 -7.292 7.429 1.813
222 3HG1 VAL 33 3HG1 VAL 33 -5.815 6.974 2.664
223 1HG2 VAL 33 1HG2 VAL 33 -6.396 6.920 -0.693
224 2HG2 VAL 33 2HG2 VAL 33 -5.023 5.815 -0.642
225 3HG2 VAL 33 3HG2 VAL 33 -5.043 7.243 0.393
226 H GLU 34 H GLU 34 -4.583 4.093 3.938
227 HA GLU 34 HA GLU 34 -6.206 1.838 4.637
228 1HB GLU 34 2HB GLU 34 -5.397 2.394 6.946
229 2HB GLU 34 1HB GLU 34 -4.103 2.388 5.751
230 1HG GLU 34 2HG GLU 34 -5.167 5.020 5.766
231 2HG GLU 34 1HG GLU 34 -4.971 4.549 7.453
232 H ALA 35 H ALA 35 -8.398 1.876 4.855
233 HA ALA 35 HA ALA 35 -10.575 2.594 5.404
234 1HB ALA 35 1HB ALA 35 -9.331 4.388 7.466
235 2HB ALA 35 2HB ALA 35 -9.074 2.648 7.591
236 3HB ALA 35 3HB ALA 35 -10.711 3.301 7.621
237 HA PRO 36 HA PRO 36 -10.071 6.531 3.066
238 1HB PRO 36 2HB PRO 36 -12.074 6.006 1.273
239 2HB PRO 36 1HB PRO 36 -10.407 5.440 1.056
240 1HG PRO 36 2HG PRO 36 -12.793 3.959 2.038
241 2HG PRO 36 1HG PRO 36 -11.479 3.413 0.986
242 1HD PRO 36 2HD PRO 36 -11.640 2.793 3.635
243 2HD PRO 36 1HD PRO 36 -10.104 2.905 2.746
Start of MODEL 9
1 1H ASP 1 1H ASP 1 9.626 11.036 -6.238
2 2H ASP 1 2H ASP 1 10.053 12.541 -6.898
3 3H ASP 1 3H ASP 1 9.261 12.463 -5.397
4 HA ASP 1 HA ASP 1 12.009 11.453 -5.961
5 1HB ASP 1 2HB ASP 1 10.789 13.972 -4.872
6 2HB ASP 1 1HB ASP 1 12.329 13.431 -4.203
7 H GLY 2 H GLY 2 11.334 9.401 -4.929
8 1HA GLY 2 2HA GLY 2 12.058 8.874 -2.389
9 2HA GLY 2 1HA GLY 2 10.451 9.542 -2.110
10 H GLU 3 H GLU 3 11.381 6.786 -1.630
11 HA GLU 3 HA GLU 3 10.240 5.070 -3.699
12 1HB GLU 3 2HB GLU 3 11.931 4.852 -1.465
13 2HB GLU 3 1HB GLU 3 10.507 3.898 -1.047
14 1HG GLU 3 2HG GLU 3 10.703 2.814 -3.341
15 2HG GLU 3 1HG GLU 3 12.278 3.598 -3.482
16 H CYS 4 H CYS 4 8.039 5.474 -4.004
17 HA CYS 4 HA CYS 4 6.255 4.906 -1.672
18 1HB CYS 4 2HB CYS 4 5.692 7.094 -1.661
19 2HB CYS 4 1HB CYS 4 6.708 7.398 -3.065
20 H GLY 5 H GLY 5 4.082 4.192 -2.370
21 1HA GLY 5 2HA GLY 5 4.188 2.721 -4.936
22 2HA GLY 5 1HA GLY 5 3.087 2.379 -3.602
23 H GLY 6 H GLY 6 1.069 2.679 -4.462
24 1HA GLY 6 2HA GLY 6 0.401 5.386 -5.482
25 2HA GLY 6 1HA GLY 6 0.007 4.008 -6.506
26 H PHE 7 H PHE 7 -2.279 4.394 -6.318
27 HA PHE 7 HA PHE 7 -3.543 4.423 -3.656
28 1HB PHE 7 2HB PHE 7 -4.309 5.792 -5.589
29 2HB PHE 7 1HB PHE 7 -4.708 4.309 -6.456
30 HD1 PHE 7 HD1 PHE 7 -5.522 6.358 -3.463
31 HD2 PHE 7 HD2 PHE 7 -6.704 3.072 -5.968
32 HE1 PHE 7 HE1 PHE 7 -7.725 6.281 -2.326
33 HE2 PHE 7 HE2 PHE 7 -8.905 2.998 -4.831
34 HZ PHE 7 HZ PHE 7 -9.416 4.601 -3.010
35 H TRP 8 H TRP 8 -2.868 2.038 -6.151
36 HA TRP 8 HA TRP 8 -4.013 -0.060 -4.394
37 1HB TRP 8 2HB TRP 8 -5.351 -0.965 -6.290
38 2HB TRP 8 1HB TRP 8 -5.863 0.660 -5.847
39 HD1 TRP 8 HD1 TRP 8 -4.693 2.683 -7.417
40 HE1 TRP 8 HE1 TRP 8 -4.300 2.675 -9.962
41 HE3 TRP 8 HE3 TRP 8 -4.932 -2.338 -8.334
42 HZ2 TRP 8 HZ2 TRP 8 -4.117 0.794 -12.106
43 HZ3 TRP 8 HZ3 TRP 8 -4.647 -3.207 -10.638
44 HH2 TRP 8 HH2 TRP 8 -4.240 -1.649 -12.522
45 H TRP 9 H TRP 9 -1.404 0.077 -4.536
46 HA TRP 9 HA TRP 9 -0.369 -1.457 -6.875
47 1HB TRP 9 2HB TRP 9 0.843 -0.006 -4.505
48 2HB TRP 9 1HB TRP 9 1.824 -0.973 -5.606
49 HD1 TRP 9 HD1 TRP 9 -1.145 1.049 -6.903
50 HE1 TRP 9 HE1 TRP 9 -0.275 2.945 -8.404
51 HE3 TRP 9 HE3 TRP 9 3.879 0.575 -6.105
52 HZ2 TRP 9 HZ2 TRP 9 2.204 4.118 -9.153
53 HZ3 TRP 9 HZ3 TRP 9 5.473 2.099 -7.236
54 HH2 TRP 9 HH2 TRP 9 4.642 3.867 -8.764
55 H LYS 10 H LYS 10 0.788 -3.510 -6.516
56 HA LYS 10 HA LYS 10 -0.432 -5.080 -4.330
57 1HB LYS 10 2HB LYS 10 0.926 -5.532 -6.914
58 2HB LYS 10 1HB LYS 10 1.229 -6.768 -5.693
59 1HG LYS 10 2HG LYS 10 -0.836 -7.622 -5.960
60 2HG LYS 10 1HG LYS 10 -1.572 -6.043 -5.687
61 1HD LYS 10 2HD LYS 10 -0.287 -6.658 -8.337
62 2HD LYS 10 1HD LYS 10 -1.923 -7.226 -7.996
63 1HE LYS 10 2HE LYS 10 -2.218 -4.679 -7.183
64 2HE LYS 10 1HE LYS 10 -0.937 -4.436 -8.387
65 1HZ LYS 10 1HZ LYS 10 -3.498 -5.886 -8.817
66 2HZ LYS 10 2HZ LYS 10 -2.247 -5.759 -9.961
67 3HZ LYS 10 3HZ LYS 10 -3.089 -4.371 -9.462
68 H CYS 11 H CYS 11 0.609 -5.695 -2.499
69 HA CYS 11 HA CYS 11 3.559 -5.782 -2.415
70 1HB CYS 11 2HB CYS 11 3.644 -4.225 -0.519
71 2HB CYS 11 1HB CYS 11 2.862 -3.443 -1.889
72 H GLY 12 H GLY 12 4.223 -6.568 -0.081
73 1HA GLY 12 2HA GLY 12 2.503 -8.871 0.577
74 2HA GLY 12 1HA GLY 12 4.115 -8.563 1.224
75 H ARG 13 H ARG 13 3.864 -8.446 3.420
76 HA ARG 13 HA ARG 13 1.475 -7.134 4.592
77 1HB ARG 13 2HB ARG 13 2.875 -9.334 5.258
78 2HB ARG 13 1HB ARG 13 3.777 -8.153 6.210
79 1HG ARG 13 2HG ARG 13 1.073 -7.513 6.630
80 2HG ARG 13 1HG ARG 13 1.144 -9.274 6.702
81 1HD ARG 13 2HD ARG 13 3.416 -8.278 8.122
82 2HD ARG 13 1HD ARG 13 1.986 -7.404 8.705
83 HE ARG 13 HE ARG 13 2.391 -10.336 8.845
84 1HH1 ARG 13 1HH2 ARG 13 1.476 -8.306 11.021
85 2HH1 ARG 13 2HH2 ARG 13 -0.176 -8.790 11.210
86 1HH2 ARG 13 1HH1 ARG 13 -0.242 -10.659 8.280
87 2HH2 ARG 13 2HH1 ARG 13 -1.152 -10.126 9.654
88 H GLY 14 H GLY 14 2.819 -5.192 3.242
89 1HA GLY 14 2HA GLY 14 3.483 -2.964 3.741
90 2HA GLY 14 1HA GLY 14 3.808 -3.459 5.403
91 H LYS 15 H LYS 15 5.078 -4.915 2.401
92 HA LYS 15 HA LYS 15 7.798 -4.813 3.489
93 1HB LYS 15 2HB LYS 15 6.293 -6.226 1.459
94 2HB LYS 15 1HB LYS 15 7.818 -5.645 0.794
95 1HG LYS 15 2HG LYS 15 8.191 -6.728 3.466
96 2HG LYS 15 1HG LYS 15 7.459 -7.920 2.389
97 1HD LYS 15 2HD LYS 15 9.255 -7.816 0.856
98 2HD LYS 15 1HD LYS 15 9.845 -6.292 1.521
99 1HE LYS 15 2HE LYS 15 10.184 -7.661 3.729
100 2HE LYS 15 1HE LYS 15 10.117 -9.072 2.655
101 1HZ LYS 15 1HZ LYS 15 11.797 -8.030 1.248
102 2HZ LYS 15 2HZ LYS 15 12.382 -8.245 2.828
103 3HZ LYS 15 3HZ LYS 15 11.887 -6.705 2.306
104 HA PRO 16 HA PRO 16 8.581 -1.853 -0.147
105 1HB PRO 16 2HB PRO 16 6.536 -1.222 -1.847
106 2HB PRO 16 1HB PRO 16 7.576 -2.640 -2.079
107 1HG PRO 16 2HG PRO 16 4.819 -2.474 -1.002
108 2HG PRO 16 1HG PRO 16 5.573 -3.734 -1.988
109 1HD PRO 16 2HD PRO 16 5.166 -3.904 0.736
110 2HD PRO 16 1HD PRO 16 6.368 -4.845 -0.170
111 HA PRO 17 HA PRO 17 6.921 1.547 2.180
112 1HB PRO 17 2HB PRO 17 8.367 3.561 1.024
113 2HB PRO 17 1HB PRO 17 9.062 2.419 2.191
114 1HG PRO 17 2HG PRO 17 9.267 2.452 -0.777
115 2HG PRO 17 1HG PRO 17 10.493 2.044 0.434
116 1HD PRO 17 2HD PRO 17 9.111 0.179 -0.998
117 2HD PRO 17 1HD PRO 17 9.770 -0.120 0.625
118 H CYS 18 H CYS 18 4.836 2.155 1.672
119 HA CYS 18 HA CYS 18 4.056 2.897 -1.063
120 1HB CYS 18 2HB CYS 18 2.841 1.870 1.276
121 2HB CYS 18 1HB CYS 18 2.108 3.452 1.016
122 H CYS 19 H CYS 19 2.581 4.998 -1.145
123 HA CYS 19 HA CYS 19 4.257 7.286 -0.518
124 1HB CYS 19 2HB CYS 19 1.898 6.611 -2.046
125 2HB CYS 19 1HB CYS 19 1.588 8.074 -1.113
126 H LYS 20 H LYS 20 3.769 8.969 1.047
127 HA LYS 20 HA LYS 20 2.971 8.174 3.608
128 1HB LYS 20 2HB LYS 20 2.863 10.584 4.073
129 2HB LYS 20 1HB LYS 20 4.220 10.233 3.006
130 1HG LYS 20 2HG LYS 20 2.279 10.668 1.163
131 2HG LYS 20 1HG LYS 20 1.716 11.725 2.457
132 1HD LYS 20 2HD LYS 20 4.533 12.077 2.254
133 2HD LYS 20 1HD LYS 20 3.880 12.155 0.618
134 1HE LYS 20 2HE LYS 20 2.563 14.027 1.087
135 2HE LYS 20 1HE LYS 20 2.496 13.668 2.823
136 1HZ LYS 20 1HZ LYS 20 4.969 14.410 1.348
137 2HZ LYS 20 2HZ LYS 20 4.826 14.159 3.023
138 3HZ LYS 20 3HZ LYS 20 4.059 15.486 2.292
139 H GLY 21 H GLY 21 1.009 7.599 4.414
140 1HA GLY 21 2HA GLY 21 -1.338 8.134 4.870
141 2HA GLY 21 1HA GLY 21 -1.451 8.828 3.253
142 H TYR 22 H TYR 22 0.120 6.437 2.167
143 HA TYR 22 HA TYR 22 -2.230 4.677 1.780
144 1HB TYR 22 2HB TYR 22 0.549 4.837 0.562
145 2HB TYR 22 1HB TYR 22 -0.681 3.685 0.051
146 HD1 TYR 22 HD1 TYR 22 -2.483 4.340 -1.376
147 HD2 TYR 22 HD2 TYR 22 0.119 7.312 0.309
148 HE1 TYR 22 HE1 TYR 22 -3.452 6.050 -2.887
149 HE2 TYR 22 HE2 TYR 22 -0.855 9.020 -1.198
150 HH TYR 22 HH TYR 22 -2.254 8.583 -3.801
151 H ALA 23 H ALA 23 -2.354 2.606 2.636
152 HA ALA 23 HA ALA 23 0.020 1.587 4.172
153 1HB ALA 23 1HB ALA 23 -1.684 2.245 5.710
154 2HB ALA 23 2HB ALA 23 -1.849 0.496 5.568
155 3HB ALA 23 3HB ALA 23 -2.959 1.559 4.702
156 H CYS 24 H CYS 24 0.401 -0.697 4.031
157 HA CYS 24 HA CYS 24 -0.685 -1.972 1.589
158 1HB CYS 24 2HB CYS 24 1.647 -2.214 3.385
159 2HB CYS 24 1HB CYS 24 1.045 -3.753 2.772
160 H SER 25 H SER 25 -1.475 -4.245 1.713
161 HA SER 25 HA SER 25 -2.689 -4.961 4.350
162 1HB SER 25 2HB SER 25 -4.082 -3.715 2.412
163 2HB SER 25 1HB SER 25 -4.251 -5.374 1.845
164 HG SER 25 HG SER 25 -5.352 -4.121 4.020
165 H LYS 26 H LYS 26 -2.028 -7.009 4.836
166 HA LYS 26 HA LYS 26 -0.906 -8.810 2.838
167 1HB LYS 26 2HB LYS 26 -0.278 -8.593 5.293
168 2HB LYS 26 1HB LYS 26 -1.803 -9.388 5.679
169 1HG LYS 26 2HG LYS 26 -0.143 -11.116 5.634
170 2HG LYS 26 1HG LYS 26 -1.070 -11.283 4.145
171 1HD LYS 26 2HD LYS 26 1.041 -9.431 3.639
172 2HD LYS 26 1HD LYS 26 1.746 -10.836 4.439
173 1HE LYS 26 2HE LYS 26 -0.241 -11.483 2.334
174 2HE LYS 26 1HE LYS 26 1.259 -10.735 1.753
175 1HZ LYS 26 1HZ LYS 26 2.535 -12.330 3.017
176 2HZ LYS 26 2HZ LYS 26 1.471 -13.158 1.982
177 3HZ LYS 26 3HZ LYS 26 1.121 -13.031 3.639
178 H THR 27 H THR 27 -3.995 -8.526 4.563
179 HA THR 27 HA THR 27 -5.164 -11.010 3.725
180 HB THR 27 HB THR 27 -6.509 -8.350 4.317
181 HG1 THR 27 HG1 THR 27 -5.774 -10.426 6.106
182 1HG2 THR 27 1HG2 THR 27 -7.459 -11.204 4.695
183 2HG2 THR 27 2HG2 THR 27 -7.974 -10.129 3.395
184 3HG2 THR 27 3HG2 THR 27 -8.375 -9.742 5.069
185 H TRP 28 H TRP 28 -5.243 -7.736 2.338
186 HA TRP 28 HA TRP 28 -6.854 -8.561 0.026
187 1HB TRP 28 2HB TRP 28 -5.284 -6.024 0.591
188 2HB TRP 28 1HB TRP 28 -6.554 -6.209 -0.607
189 HD1 TRP 28 HD1 TRP 28 -8.115 -8.121 1.817
190 HE1 TRP 28 HE1 TRP 28 -9.560 -6.770 3.465
191 HE3 TRP 28 HE3 TRP 28 -6.228 -3.442 1.023
192 HZ2 TRP 28 HZ2 TRP 28 -9.885 -4.064 4.327
193 HZ3 TRP 28 HZ3 TRP 28 -7.125 -1.498 2.269
194 HH2 TRP 28 HH2 TRP 28 -8.950 -1.805 3.919
195 H GLY 29 H GLY 29 -3.476 -7.524 0.586
196 1HA GLY 29 2HA GLY 29 -1.607 -8.639 -0.512
197 2HA GLY 29 1HA GLY 29 -2.679 -9.040 -1.850
198 H TRP 30 H TRP 30 -2.955 -5.790 -0.631
199 HA TRP 30 HA TRP 30 -0.988 -4.742 -2.581
200 1HB TRP 30 2HB TRP 30 -2.659 -3.592 -3.899
201 2HB TRP 30 1HB TRP 30 -3.137 -5.279 -3.789
202 HD1 TRP 30 HD1 TRP 30 -3.852 -1.968 -1.907
203 HE1 TRP 30 HE1 TRP 30 -6.314 -1.986 -1.176
204 HE3 TRP 30 HE3 TRP 30 -5.232 -6.596 -3.569
205 HZ2 TRP 30 HZ2 TRP 30 -8.581 -3.724 -1.284
206 HZ3 TRP 30 HZ3 TRP 30 -7.553 -7.404 -3.246
207 HH2 TRP 30 HH2 TRP 30 -9.227 -5.972 -2.107
208 H CYS 31 H CYS 31 -1.460 -2.148 -2.631
209 HA CYS 31 HA CYS 31 -1.686 -1.277 0.233
210 1HB CYS 31 2HB CYS 31 0.620 -1.328 -0.736
211 2HB CYS 31 1HB CYS 31 0.091 -0.205 -1.987
212 H ALA 32 H ALA 32 -3.160 0.313 0.589
213 HA ALA 32 HA ALA 32 -3.967 2.136 -1.634
214 1HB ALA 32 1HB ALA 32 -5.495 -0.045 -0.399
215 2HB ALA 32 2HB ALA 32 -5.821 0.841 -1.887
216 3HB ALA 32 3HB ALA 32 -6.344 1.499 -0.338
217 H VAL 33 H VAL 33 -5.531 3.885 -0.621
218 HA VAL 33 HA VAL 33 -4.173 5.156 1.592
219 HB VAL 33 HB VAL 33 -6.891 5.640 0.316
220 1HG1 VAL 33 1HG1 VAL 33 -5.271 7.766 1.676
221 2HG1 VAL 33 2HG1 VAL 33 -6.228 6.672 2.676
222 3HG1 VAL 33 3HG1 VAL 33 -7.017 7.664 1.450
223 1HG2 VAL 33 1HG2 VAL 33 -4.161 6.869 -0.191
224 2HG2 VAL 33 2HG2 VAL 33 -5.664 7.389 -0.952
225 3HG2 VAL 33 3HG2 VAL 33 -5.022 5.779 -1.279
226 H GLU 34 H GLU 34 -4.751 5.245 3.780
227 HA GLU 34 HA GLU 34 -6.320 3.063 4.876
228 1HB GLU 34 2HB GLU 34 -5.008 5.558 5.985
229 2HB GLU 34 1HB GLU 34 -5.842 4.395 7.017
230 1HG GLU 34 2HG GLU 34 -4.352 2.614 5.871
231 2HG GLU 34 1HG GLU 34 -3.368 3.977 5.342
232 H ALA 35 H ALA 35 -8.533 3.083 4.724
233 HA ALA 35 HA ALA 35 -9.971 5.610 5.448
234 1HB ALA 35 1HB ALA 35 -10.431 5.679 3.212
235 2HB ALA 35 2HB ALA 35 -11.595 4.410 3.591
236 3HB ALA 35 3HB ALA 35 -9.997 3.985 2.979
237 HA PRO 36 HA PRO 36 -11.897 2.637 8.162
238 1HB PRO 36 2HB PRO 36 -13.667 4.371 9.328
239 2HB PRO 36 1HB PRO 36 -11.946 4.305 9.760
240 1HG PRO 36 2HG PRO 36 -13.386 6.230 8.011
241 2HG PRO 36 1HG PRO 36 -12.059 6.511 9.148
242 1HD PRO 36 2HD PRO 36 -11.735 6.343 6.436
243 2HD PRO 36 1HD PRO 36 -10.459 5.962 7.613
Start of MODEL 10
1 1H ASP 1 1H ASP 1 15.018 7.456 -3.329
2 2H ASP 1 2H ASP 1 16.478 8.003 -4.002
3 3H ASP 1 3H ASP 1 15.245 7.409 -5.010
4 HA ASP 1 HA ASP 1 15.121 9.899 -3.375
5 1HB ASP 1 2HB ASP 1 16.363 9.293 -5.809
6 2HB ASP 1 1HB ASP 1 14.832 10.028 -6.283
7 H GLY 2 H GLY 2 13.023 9.760 -2.550
8 1HA GLY 2 2HA GLY 2 10.676 9.938 -2.644
9 2HA GLY 2 1HA GLY 2 10.800 9.988 -4.404
10 H GLU 3 H GLU 3 10.436 7.889 -1.617
11 HA GLU 3 HA GLU 3 10.062 5.548 -3.455
12 1HB GLU 3 2HB GLU 3 11.460 6.005 -0.966
13 2HB GLU 3 1HB GLU 3 10.258 4.733 -0.748
14 1HG GLU 3 2HG GLU 3 11.179 3.415 -2.503
15 2HG GLU 3 1HG GLU 3 12.151 4.759 -3.102
16 H CYS 4 H CYS 4 7.818 6.030 -3.914
17 HA CYS 4 HA CYS 4 5.995 5.330 -1.658
18 1HB CYS 4 2HB CYS 4 5.153 7.420 -1.607
19 2HB CYS 4 1HB CYS 4 6.386 7.913 -2.760
20 H GLY 5 H GLY 5 4.027 4.332 -2.376
21 1HA GLY 5 2HA GLY 5 4.263 2.991 -4.979
22 2HA GLY 5 1HA GLY 5 3.072 2.626 -3.732
23 H GLY 6 H GLY 6 1.050 3.078 -4.406
24 1HA GLY 6 2HA GLY 6 0.467 5.681 -5.667
25 2HA GLY 6 1HA GLY 6 0.078 4.254 -6.626
26 H PHE 7 H PHE 7 -2.201 4.490 -6.522
27 HA PHE 7 HA PHE 7 -3.513 4.719 -3.873
28 1HB PHE 7 2HB PHE 7 -4.079 5.379 -6.602
29 2HB PHE 7 1HB PHE 7 -5.335 4.277 -6.039
30 HD1 PHE 7 HD1 PHE 7 -7.024 5.009 -4.544
31 HD2 PHE 7 HD2 PHE 7 -3.536 7.433 -5.187
32 HE1 PHE 7 HE1 PHE 7 -8.071 6.855 -3.261
33 HE2 PHE 7 HE2 PHE 7 -4.584 9.279 -3.904
34 HZ PHE 7 HZ PHE 7 -6.850 8.990 -2.940
35 H TRP 8 H TRP 8 -2.856 2.270 -6.317
36 HA TRP 8 HA TRP 8 -3.936 0.188 -4.493
37 1HB TRP 8 2HB TRP 8 -5.810 0.869 -5.922
38 2HB TRP 8 1HB TRP 8 -4.816 0.666 -7.363
39 HD1 TRP 8 HD1 TRP 8 -5.671 -1.608 -4.325
40 HE1 TRP 8 HE1 TRP 8 -6.243 -3.952 -5.236
41 HE3 TRP 8 HE3 TRP 8 -5.084 -0.775 -9.328
42 HZ2 TRP 8 HZ2 TRP 8 -6.428 -5.295 -7.760
43 HZ3 TRP 8 HZ3 TRP 8 -5.465 -2.597 -10.961
44 HH2 TRP 8 HH2 TRP 8 -6.136 -4.854 -10.185
45 H TRP 9 H TRP 9 -1.460 0.030 -4.463
46 HA TRP 9 HA TRP 9 -0.340 -1.343 -6.881
47 1HB TRP 9 2HB TRP 9 0.799 0.107 -4.479
48 2HB TRP 9 1HB TRP 9 1.823 -0.870 -5.530
49 HD1 TRP 9 HD1 TRP 9 -1.091 1.173 -6.935
50 HE1 TRP 9 HE1 TRP 9 -0.154 3.041 -8.430
51 HE3 TRP 9 HE3 TRP 9 3.900 0.641 -5.994
52 HZ2 TRP 9 HZ2 TRP 9 2.363 4.171 -9.131
53 HZ3 TRP 9 HZ3 TRP 9 5.542 2.135 -7.094
54 HH2 TRP 9 HH2 TRP 9 4.782 3.894 -8.664
55 H LYS 10 H LYS 10 0.946 -3.353 -6.469
56 HA LYS 10 HA LYS 10 -0.336 -5.004 -4.371
57 1HB LYS 10 2HB LYS 10 1.126 -5.377 -6.910
58 2HB LYS 10 1HB LYS 10 1.432 -6.614 -5.693
59 1HG LYS 10 2HG LYS 10 -0.461 -7.389 -6.926
60 2HG LYS 10 1HG LYS 10 -1.102 -6.771 -5.404
61 1HD LYS 10 2HD LYS 10 -1.676 -4.640 -6.492
62 2HD LYS 10 1HD LYS 10 -1.009 -5.229 -8.016
63 1HE LYS 10 2HE LYS 10 -2.729 -7.260 -7.448
64 2HE LYS 10 1HE LYS 10 -3.594 -5.895 -6.713
65 1HZ LYS 10 1HZ LYS 10 -3.379 -4.652 -8.736
66 2HZ LYS 10 2HZ LYS 10 -4.063 -6.161 -9.117
67 3HZ LYS 10 3HZ LYS 10 -2.422 -5.861 -9.446
68 H CYS 11 H CYS 11 0.666 -5.624 -2.502
69 HA CYS 11 HA CYS 11 3.612 -5.606 -2.331
70 1HB CYS 11 2HB CYS 11 3.629 -4.061 -0.444
71 2HB CYS 11 1HB CYS 11 2.792 -3.295 -1.790
72 H GLY 12 H GLY 12 4.291 -6.458 -0.076
73 1HA GLY 12 2HA GLY 12 2.555 -8.758 0.586
74 2HA GLY 12 1HA GLY 12 4.217 -8.524 1.131
75 H ARG 13 H ARG 13 4.392 -8.069 3.255
76 HA ARG 13 HA ARG 13 2.023 -7.126 4.774
77 1HB ARG 13 2HB ARG 13 4.154 -8.886 5.187
78 2HB ARG 13 1HB ARG 13 4.563 -7.502 6.198
79 1HG ARG 13 2HG ARG 13 1.808 -8.738 6.228
80 2HG ARG 13 1HG ARG 13 3.102 -9.321 7.272
81 1HD ARG 13 2HD ARG 13 3.235 -7.271 8.454
82 2HD ARG 13 1HD ARG 13 2.361 -6.388 7.189
83 HE ARG 13 HE ARG 13 0.308 -7.485 7.891
84 1HH1 ARG 13 1HH2 ARG 13 1.281 -6.484 10.521
85 2HH1 ARG 13 2HH2 ARG 13 1.201 -7.900 11.515
86 1HH2 ARG 13 1HH1 ARG 13 0.994 -10.098 8.829
87 2HH2 ARG 13 2HH1 ARG 13 1.037 -9.952 10.556
88 H GLY 14 H GLY 14 3.145 -5.153 2.980
89 1HA GLY 14 2HA GLY 14 3.467 -2.810 3.214
90 2HA GLY 14 1HA GLY 14 3.793 -3.049 4.931
91 H LYS 15 H LYS 15 5.416 -4.851 2.344
92 HA LYS 15 HA LYS 15 8.031 -4.228 3.397
93 1HB LYS 15 2HB LYS 15 6.900 -6.119 1.743
94 2HB LYS 15 1HB LYS 15 7.857 -5.161 0.613
95 1HG LYS 15 2HG LYS 15 9.817 -5.918 1.453
96 2HG LYS 15 1HG LYS 15 9.271 -5.741 3.120
97 1HD LYS 15 2HD LYS 15 9.603 -8.089 2.769
98 2HD LYS 15 1HD LYS 15 7.859 -7.827 2.755
99 1HE LYS 15 2HE LYS 15 8.847 -7.449 0.081
100 2HE LYS 15 1HE LYS 15 9.442 -9.003 0.697
101 1HZ LYS 15 1HZ LYS 15 6.629 -8.056 0.882
102 2HZ LYS 15 2HZ LYS 15 7.218 -9.557 1.419
103 3HZ LYS 15 3HZ LYS 15 7.196 -9.194 -0.241
104 HA PRO 16 HA PRO 16 8.480 -1.356 -0.394
105 1HB PRO 16 2HB PRO 16 6.279 -0.874 -1.947
106 2HB PRO 16 1HB PRO 16 7.394 -2.222 -2.250
107 1HG PRO 16 2HG PRO 16 4.723 -2.230 -0.952
108 2HG PRO 16 1HG PRO 16 5.467 -3.433 -2.015
109 1HD PRO 16 2HD PRO 16 5.305 -3.676 0.715
110 2HD PRO 16 1HD PRO 16 6.528 -4.484 -0.288
111 HA PRO 17 HA PRO 17 6.753 1.870 2.128
112 1HB PRO 17 2HB PRO 17 8.113 3.975 1.026
113 2HB PRO 17 1HB PRO 17 8.858 2.817 2.145
114 1HG PRO 17 2HG PRO 17 9.039 2.970 -0.820
115 2HG PRO 17 1HG PRO 17 10.281 2.547 0.368
116 1HD PRO 17 2HD PRO 17 8.931 0.709 -1.136
117 2HD PRO 17 1HD PRO 17 9.631 0.358 0.459
118 H CYS 18 H CYS 18 4.597 2.237 1.584
119 HA CYS 18 HA CYS 18 3.744 3.108 -1.063
120 1HB CYS 18 2HB CYS 18 2.605 2.054 1.315
121 2HB CYS 18 1HB CYS 18 1.833 3.618 1.057
122 H CYS 19 H CYS 19 2.284 5.233 -1.097
123 HA CYS 19 HA CYS 19 4.012 7.456 -0.245
124 1HB CYS 19 2HB CYS 19 1.241 7.812 -1.358
125 2HB CYS 19 1HB CYS 19 2.699 8.736 -1.697
126 H LYS 20 H LYS 20 3.442 9.021 1.357
127 HA LYS 20 HA LYS 20 2.287 8.240 3.735
128 1HB LYS 20 2HB LYS 20 2.137 10.624 4.238
129 2HB LYS 20 1HB LYS 20 3.577 10.324 3.267
130 1HG LYS 20 2HG LYS 20 2.165 10.920 1.224
131 2HG LYS 20 1HG LYS 20 0.940 11.495 2.355
132 1HD LYS 20 2HD LYS 20 2.166 13.325 2.972
133 2HD LYS 20 1HD LYS 20 3.703 12.468 2.841
134 1HE LYS 20 2HE LYS 20 4.010 13.596 0.886
135 2HE LYS 20 1HE LYS 20 2.735 12.567 0.205
136 1HZ LYS 20 1HZ LYS 20 1.078 14.115 1.033
137 2HZ LYS 20 2HZ LYS 20 2.167 14.920 0.007
138 3HZ LYS 20 3HZ LYS 20 2.289 15.103 1.693
139 H GLY 21 H GLY 21 0.256 7.734 4.399
140 1HA GLY 21 2HA GLY 21 -2.123 8.311 4.591
141 2HA GLY 21 1HA GLY 21 -2.071 8.883 2.924
142 H TYR 22 H TYR 22 -0.432 6.421 2.147
143 HA TYR 22 HA TYR 22 -2.774 4.603 1.837
144 1HB TYR 22 2HB TYR 22 -0.056 4.536 0.486
145 2HB TYR 22 1HB TYR 22 -1.525 3.726 -0.045
146 HD1 TYR 22 HD1 TYR 22 -3.342 6.220 0.691
147 HD2 TYR 22 HD2 TYR 22 0.234 5.708 -1.630
148 HE1 TYR 22 HE1 TYR 22 -3.937 8.206 -0.667
149 HE2 TYR 22 HE2 TYR 22 -0.361 7.693 -2.988
150 HH TYR 22 HH TYR 22 -2.061 9.946 -2.300
151 H ALA 23 H ALA 23 -2.780 2.562 2.750
152 HA ALA 23 HA ALA 23 -0.319 1.690 4.236
153 1HB ALA 23 1HB ALA 23 -1.991 2.207 5.826
154 2HB ALA 23 2HB ALA 23 -2.162 0.465 5.620
155 3HB ALA 23 3HB ALA 23 -3.280 1.563 4.810
156 H CYS 24 H CYS 24 0.203 -0.572 4.098
157 HA CYS 24 HA CYS 24 -0.815 -1.911 1.663
158 1HB CYS 24 2HB CYS 24 1.547 -1.975 3.413
159 2HB CYS 24 1HB CYS 24 1.034 -3.575 2.882
160 H SER 25 H SER 25 -1.509 -4.187 1.746
161 HA SER 25 HA SER 25 -2.669 -5.017 4.380
162 1HB SER 25 2HB SER 25 -3.917 -4.619 1.683
163 2HB SER 25 1HB SER 25 -4.566 -5.870 2.740
164 HG SER 25 HG SER 25 -4.593 -3.102 2.990
165 H LYS 26 H LYS 26 -1.534 -6.875 4.855
166 HA LYS 26 HA LYS 26 -0.355 -8.619 2.877
167 1HB LYS 26 2HB LYS 26 0.422 -8.318 5.215
168 2HB LYS 26 1HB LYS 26 -1.067 -9.059 5.798
169 1HG LYS 26 2HG LYS 26 0.730 -10.725 5.767
170 2HG LYS 26 1HG LYS 26 -0.490 -11.140 4.564
171 1HD LYS 26 2HD LYS 26 0.888 -10.111 2.798
172 2HD LYS 26 1HD LYS 26 2.105 -9.675 3.998
173 1HE LYS 26 2HE LYS 26 2.791 -11.890 4.305
174 2HE LYS 26 1HE LYS 26 1.242 -12.551 3.746
175 1HZ LYS 26 1HZ LYS 26 2.990 -12.734 2.044
176 2HZ LYS 26 2HZ LYS 26 3.160 -11.043 2.046
177 3HZ LYS 26 3HZ LYS 26 1.704 -11.753 1.533
178 H THR 27 H THR 27 -3.403 -8.684 4.698
179 HA THR 27 HA THR 27 -4.267 -11.322 3.924
180 HB THR 27 HB THR 27 -5.933 -8.865 4.581
181 HG1 THR 27 HG1 THR 27 -4.928 -8.951 6.412
182 1HG2 THR 27 1HG2 THR 27 -6.445 -11.773 4.370
183 2HG2 THR 27 2HG2 THR 27 -7.553 -10.416 4.179
184 3HG2 THR 27 3HG2 THR 27 -7.127 -10.984 5.793
185 H TRP 28 H TRP 28 -4.681 -8.108 2.484
186 HA TRP 28 HA TRP 28 -6.373 -9.126 0.294
187 1HB TRP 28 2HB TRP 28 -5.107 -6.428 0.895
188 2HB TRP 28 1HB TRP 28 -6.287 -6.720 -0.378
189 HD1 TRP 28 HD1 TRP 28 -7.398 -8.888 2.263
190 HE1 TRP 28 HE1 TRP 28 -9.198 -7.791 3.738
191 HE3 TRP 28 HE3 TRP 28 -6.844 -4.002 0.864
192 HZ2 TRP 28 HZ2 TRP 28 -10.274 -5.200 4.254
193 HZ3 TRP 28 HZ3 TRP 28 -8.277 -2.244 1.866
194 HH2 TRP 28 HH2 TRP 28 -9.989 -2.838 3.557
195 H GLY 29 H GLY 29 -3.107 -7.680 0.617
196 1HA GLY 29 2HA GLY 29 -1.214 -8.676 -0.588
197 2HA GLY 29 1HA GLY 29 -2.326 -9.118 -1.878
198 H TRP 30 H TRP 30 -2.795 -5.910 -0.606
199 HA TRP 30 HA TRP 30 -0.950 -4.714 -2.589
200 1HB TRP 30 2HB TRP 30 -2.683 -3.732 -3.919
201 2HB TRP 30 1HB TRP 30 -3.121 -5.424 -3.718
202 HD1 TRP 30 HD1 TRP 30 -3.885 -2.024 -2.030
203 HE1 TRP 30 HE1 TRP 30 -6.326 -2.065 -1.231
204 HE3 TRP 30 HE3 TRP 30 -5.158 -6.797 -3.325
205 HZ2 TRP 30 HZ2 TRP 30 -8.540 -3.874 -1.154
206 HZ3 TRP 30 HZ3 TRP 30 -7.444 -7.650 -2.880
207 HH2 TRP 30 HH2 TRP 30 -9.133 -6.194 -1.798
208 H CYS 31 H CYS 31 -1.443 -2.178 -2.596
209 HA CYS 31 HA CYS 31 -1.795 -1.307 0.256
210 1HB CYS 31 2HB CYS 31 0.542 -1.286 -0.669
211 2HB CYS 31 1HB CYS 31 0.002 -0.163 -1.911
212 H ALA 32 H ALA 32 -3.385 0.188 0.535
213 HA ALA 32 HA ALA 32 -4.104 2.039 -1.683
214 1HB ALA 32 1HB ALA 32 -6.533 1.388 -1.245
215 2HB ALA 32 2HB ALA 32 -5.910 0.027 -0.312
216 3HB ALA 32 3HB ALA 32 -5.557 0.150 -2.034
217 H VAL 33 H VAL 33 -5.877 3.620 -0.771
218 HA VAL 33 HA VAL 33 -4.839 4.846 1.641
219 HB VAL 33 HB VAL 33 -7.499 5.347 0.262
220 1HG1 VAL 33 1HG1 VAL 33 -7.392 6.680 2.194
221 2HG1 VAL 33 2HG1 VAL 33 -6.757 7.752 0.947
222 3HG1 VAL 33 3HG1 VAL 33 -5.651 6.927 2.044
223 1HG2 VAL 33 1HG2 VAL 33 -6.305 5.793 -1.609
224 2HG2 VAL 33 2HG2 VAL 33 -4.772 5.640 -0.754
225 3HG2 VAL 33 3HG2 VAL 33 -5.640 7.174 -0.738
226 H GLU 34 H GLU 34 -5.130 3.700 3.554
227 HA GLU 34 HA GLU 34 -7.566 2.154 4.089
228 1HB GLU 34 2HB GLU 34 -4.930 2.729 5.360
229 2HB GLU 34 1HB GLU 34 -6.236 2.255 6.448
230 1HG GLU 34 2HG GLU 34 -5.689 0.681 3.934
231 2HG GLU 34 1HG GLU 34 -4.761 0.380 5.403
232 H ALA 35 H ALA 35 -9.235 3.794 4.016
233 HA ALA 35 HA ALA 35 -9.497 5.341 6.534
234 1HB ALA 35 1HB ALA 35 -9.082 6.439 3.774
235 2HB ALA 35 2HB ALA 35 -8.460 7.032 5.313
236 3HB ALA 35 3HB ALA 35 -10.144 7.319 4.874
237 HA PRO 36 HA PRO 36 -13.712 4.208 5.891
238 1HB PRO 36 2HB PRO 36 -14.959 6.111 7.415
239 2HB PRO 36 1HB PRO 36 -14.071 4.741 8.113
240 1HG PRO 36 2HG PRO 36 -13.224 7.573 7.780
241 2HG PRO 36 1HG PRO 36 -12.913 6.450 9.112
242 1HD PRO 36 2HD PRO 36 -11.077 7.061 7.185
243 2HD PRO 36 1HD PRO 36 -11.095 5.526 8.079
Start of MODEL 11
1 1H ASP 1 1H ASP 1 13.022 10.761 -7.745
2 2H ASP 1 2H ASP 1 14.498 11.573 -7.532
3 3H ASP 1 3H ASP 1 13.032 12.370 -7.208
4 HA ASP 1 HA ASP 1 14.146 10.064 -5.684
5 1HB ASP 1 2HB ASP 1 15.008 12.591 -5.647
6 2HB ASP 1 1HB ASP 1 13.593 12.808 -4.616
7 H GLY 2 H GLY 2 12.371 8.810 -5.172
8 1HA GLY 2 2HA GLY 2 10.299 9.738 -3.473
9 2HA GLY 2 1HA GLY 2 9.664 9.728 -5.119
10 H GLU 3 H GLU 3 10.211 7.823 -2.373
11 HA GLU 3 HA GLU 3 10.046 5.279 -3.943
12 1HB GLU 3 2HB GLU 3 10.894 4.247 -1.881
13 2HB GLU 3 1HB GLU 3 11.924 5.597 -2.344
14 1HG GLU 3 2HG GLU 3 10.054 6.834 -0.739
15 2HG GLU 3 1HG GLU 3 10.233 5.264 0.042
16 H CYS 4 H CYS 4 7.636 6.434 -4.043
17 HA CYS 4 HA CYS 4 6.041 5.211 -1.814
18 1HB CYS 4 2HB CYS 4 5.041 7.229 -1.672
19 2HB CYS 4 1HB CYS 4 6.158 7.835 -2.886
20 H GLY 5 H GLY 5 4.046 4.144 -2.453
21 1HA GLY 5 2HA GLY 5 4.270 2.731 -5.001
22 2HA GLY 5 1HA GLY 5 3.047 2.447 -3.762
23 H GLY 6 H GLY 6 1.074 2.779 -4.681
24 1HA GLY 6 2HA GLY 6 0.554 5.386 -5.991
25 2HA GLY 6 1HA GLY 6 0.194 3.933 -6.924
26 H PHE 7 H PHE 7 -2.070 4.011 -6.927
27 HA PHE 7 HA PHE 7 -3.526 4.481 -4.390
28 1HB PHE 7 2HB PHE 7 -3.961 4.946 -7.132
29 2HB PHE 7 1HB PHE 7 -5.135 3.708 -6.681
30 HD1 PHE 7 HD1 PHE 7 -6.872 4.154 -5.015
31 HD2 PHE 7 HD2 PHE 7 -3.999 7.165 -6.089
32 HE1 PHE 7 HE1 PHE 7 -8.257 5.878 -3.895
33 HE2 PHE 7 HE2 PHE 7 -5.388 8.887 -4.969
34 HZ PHE 7 HZ PHE 7 -7.516 8.244 -3.872
35 H TRP 8 H TRP 8 -2.838 1.832 -6.636
36 HA TRP 8 HA TRP 8 -3.825 -0.100 -4.597
37 1HB TRP 8 2HB TRP 8 -5.495 0.711 -6.537
38 2HB TRP 8 1HB TRP 8 -4.625 -0.517 -7.454
39 HD1 TRP 8 HD1 TRP 8 -4.445 -2.993 -6.077
40 HE1 TRP 8 HE1 TRP 8 -6.337 -4.203 -4.812
41 HE3 TRP 8 HE3 TRP 8 -7.625 0.925 -5.289
42 HZ2 TRP 8 HZ2 TRP 8 -8.865 -3.589 -3.624
43 HZ3 TRP 8 HZ3 TRP 8 -9.767 0.584 -4.089
44 HH2 TRP 8 HH2 TRP 8 -10.390 -1.666 -3.256
45 H TRP 9 H TRP 9 -1.277 -0.064 -4.691
46 HA TRP 9 HA TRP 9 -0.170 -1.629 -6.969
47 1HB TRP 9 2HB TRP 9 0.945 -0.102 -4.605
48 2HB TRP 9 1HB TRP 9 1.976 -1.127 -5.602
49 HD1 TRP 9 HD1 TRP 9 -0.896 0.796 -7.194
50 HE1 TRP 9 HE1 TRP 9 0.060 2.624 -8.733
51 HE3 TRP 9 HE3 TRP 9 4.063 0.459 -6.003
52 HZ2 TRP 9 HZ2 TRP 9 2.573 3.797 -9.366
53 HZ3 TRP 9 HZ3 TRP 9 5.714 1.952 -7.098
54 HH2 TRP 9 HH2 TRP 9 4.975 3.616 -8.780
55 H LYS 10 H LYS 10 1.186 -3.576 -6.441
56 HA LYS 10 HA LYS 10 -0.156 -5.234 -4.393
57 1HB LYS 10 2HB LYS 10 1.559 -5.596 -6.791
58 2HB LYS 10 1HB LYS 10 1.713 -6.827 -5.539
59 1HG LYS 10 2HG LYS 10 -0.241 -7.753 -6.146
60 2HG LYS 10 1HG LYS 10 -1.073 -6.214 -5.925
61 1HD LYS 10 2HD LYS 10 0.160 -5.687 -8.258
62 2HD LYS 10 1HD LYS 10 0.021 -7.437 -8.412
63 1HE LYS 10 2HE LYS 10 -1.999 -6.582 -9.362
64 2HE LYS 10 1HE LYS 10 -2.465 -7.102 -7.730
65 1HZ LYS 10 1HZ LYS 10 -1.474 -4.363 -8.283
66 2HZ LYS 10 2HZ LYS 10 -2.317 -4.922 -6.917
67 3HZ LYS 10 3HZ LYS 10 -3.120 -4.754 -8.405
68 H CYS 11 H CYS 11 0.777 -5.880 -2.490
69 HA CYS 11 HA CYS 11 3.694 -5.623 -2.103
70 1HB CYS 11 2HB CYS 11 3.413 -4.137 -0.172
71 2HB CYS 11 1HB CYS 11 2.657 -3.405 -1.586
72 H GLY 12 H GLY 12 4.416 -6.795 -0.167
73 1HA GLY 12 2HA GLY 12 2.644 -9.050 0.499
74 2HA GLY 12 1HA GLY 12 4.328 -8.871 0.994
75 H ARG 13 H ARG 13 4.573 -8.546 3.145
76 HA ARG 13 HA ARG 13 2.280 -7.588 4.771
77 1HB ARG 13 2HB ARG 13 4.672 -9.232 5.072
78 2HB ARG 13 1HB ARG 13 4.547 -8.053 6.377
79 1HG ARG 13 2HG ARG 13 2.186 -9.740 5.542
80 2HG ARG 13 1HG ARG 13 3.360 -10.314 6.725
81 1HD ARG 13 2HD ARG 13 2.315 -7.563 7.180
82 2HD ARG 13 1HD ARG 13 1.170 -8.892 7.440
83 HE ARG 13 HE ARG 13 3.885 -9.086 8.654
84 1HH1 ARG 13 1HH2 ARG 13 1.806 -11.087 9.345
85 2HH1 ARG 13 2HH2 ARG 13 1.166 -10.474 10.833
86 1HH2 ARG 13 1HH1 ARG 13 2.486 -7.290 10.398
87 2HH2 ARG 13 2HH1 ARG 13 1.551 -8.320 11.431
88 H GLY 14 H GLY 14 3.663 -5.670 2.966
89 1HA GLY 14 2HA GLY 14 3.918 -3.298 3.394
90 2HA GLY 14 1HA GLY 14 4.475 -3.682 5.023
91 H LYS 15 H LYS 15 5.581 -5.157 1.971
92 HA LYS 15 HA LYS 15 8.369 -4.755 2.724
93 1HB LYS 15 2HB LYS 15 6.775 -6.225 0.764
94 2HB LYS 15 1HB LYS 15 8.266 -5.588 0.070
95 1HG LYS 15 2HG LYS 15 9.552 -6.603 1.932
96 2HG LYS 15 1HG LYS 15 8.057 -7.275 2.581
97 1HD LYS 15 2HD LYS 15 8.453 -9.079 1.281
98 2HD LYS 15 1HD LYS 15 8.021 -8.058 -0.091
99 1HE LYS 15 2HE LYS 15 10.437 -7.317 -0.210
100 2HE LYS 15 1HE LYS 15 10.808 -8.549 1.013
101 1HZ LYS 15 1HZ LYS 15 9.461 -9.040 -1.594
102 2HZ LYS 15 2HZ LYS 15 9.770 -10.218 -0.409
103 3HZ LYS 15 3HZ LYS 15 11.060 -9.460 -1.213
104 HA PRO 16 HA PRO 16 8.449 -1.754 -0.975
105 1HB PRO 16 2HB PRO 16 6.118 -1.209 -2.302
106 2HB PRO 16 1HB PRO 16 7.186 -2.558 -2.737
107 1HG PRO 16 2HG PRO 16 4.642 -2.576 -1.210
108 2HG PRO 16 1HG PRO 16 5.284 -3.766 -2.350
109 1HD PRO 16 2HD PRO 16 5.353 -4.042 0.384
110 2HD PRO 16 1HD PRO 16 6.463 -4.860 -0.736
111 HA PRO 17 HA PRO 17 7.026 1.490 1.713
112 1HB PRO 17 2HB PRO 17 8.321 3.572 0.496
113 2HB PRO 17 1HB PRO 17 9.148 2.390 1.529
114 1HG PRO 17 2HG PRO 17 9.042 2.563 -1.438
115 2HG PRO 17 1HG PRO 17 10.384 2.103 -0.380
116 1HD PRO 17 2HD PRO 17 8.848 0.309 -1.759
117 2HD PRO 17 1HD PRO 17 9.702 -0.074 -0.248
118 H CYS 18 H CYS 18 4.908 2.146 1.497
119 HA CYS 18 HA CYS 18 3.806 2.934 -1.118
120 1HB CYS 18 2HB CYS 18 2.673 2.737 1.690
121 2HB CYS 18 1HB CYS 18 1.709 3.125 0.268
122 H CYS 19 H CYS 19 2.216 5.002 -0.860
123 HA CYS 19 HA CYS 19 4.002 7.275 -0.224
124 1HB CYS 19 2HB CYS 19 1.172 7.548 -1.186
125 2HB CYS 19 1HB CYS 19 2.589 8.490 -1.632
126 H LYS 20 H LYS 20 3.047 9.166 1.009
127 HA LYS 20 HA LYS 20 2.229 8.466 3.618
128 1HB LYS 20 2HB LYS 20 3.293 10.611 2.716
129 2HB LYS 20 1HB LYS 20 1.672 11.091 2.214
130 1HG LYS 20 2HG LYS 20 1.011 11.535 4.347
131 2HG LYS 20 1HG LYS 20 1.853 10.131 5.001
132 1HD LYS 20 2HD LYS 20 3.513 11.463 5.724
133 2HD LYS 20 1HD LYS 20 3.830 11.964 4.064
134 1HE LYS 20 2HE LYS 20 3.326 14.012 5.127
135 2HE LYS 20 1HE LYS 20 1.758 13.554 4.436
136 1HZ LYS 20 1HZ LYS 20 1.152 12.510 6.506
137 2HZ LYS 20 2HZ LYS 20 1.605 14.118 6.815
138 3HZ LYS 20 3HZ LYS 20 2.673 12.848 7.177
139 H GLY 21 H GLY 21 0.260 7.778 4.352
140 1HA GLY 21 2HA GLY 21 -2.142 8.080 4.614
141 2HA GLY 21 1HA GLY 21 -2.205 8.733 2.978
142 H TYR 22 H TYR 22 -0.381 6.505 2.031
143 HA TYR 22 HA TYR 22 -2.521 4.511 1.568
144 1HB TYR 22 2HB TYR 22 0.269 4.935 0.438
145 2HB TYR 22 1HB TYR 22 -0.842 3.685 -0.115
146 HD1 TYR 22 HD1 TYR 22 -0.386 7.365 0.204
147 HD2 TYR 22 HD2 TYR 22 -2.633 4.188 -1.612
148 HE1 TYR 22 HE1 TYR 22 -1.471 8.999 -1.312
149 HE2 TYR 22 HE2 TYR 22 -3.718 5.823 -3.128
150 HH TYR 22 HH TYR 22 -3.146 9.306 -2.805
151 H ALA 23 H ALA 23 -2.502 2.506 2.519
152 HA ALA 23 HA ALA 23 -0.064 1.698 4.073
153 1HB ALA 23 1HB ALA 23 -2.442 0.443 5.039
154 2HB ALA 23 2HB ALA 23 -2.801 2.155 4.818
155 3HB ALA 23 3HB ALA 23 -1.459 1.662 5.851
156 H CYS 24 H CYS 24 0.570 -0.486 3.872
157 HA CYS 24 HA CYS 24 -0.507 -1.924 1.522
158 1HB CYS 24 2HB CYS 24 1.874 -1.780 1.721
159 2HB CYS 24 1HB CYS 24 1.831 -2.268 3.414
160 H SER 25 H SER 25 -1.087 -4.228 1.708
161 HA SER 25 HA SER 25 -1.946 -5.102 4.423
162 1HB SER 25 2HB SER 25 -3.602 -4.439 2.033
163 2HB SER 25 1HB SER 25 -4.120 -5.789 3.039
164 HG SER 25 HG SER 25 -4.011 -3.070 3.584
165 H LYS 26 H LYS 26 -1.230 -7.155 4.724
166 HA LYS 26 HA LYS 26 -0.269 -8.817 2.535
167 1HB LYS 26 2HB LYS 26 0.728 -8.839 4.771
168 2HB LYS 26 1HB LYS 26 -0.813 -9.314 5.484
169 1HG LYS 26 2HG LYS 26 -0.208 -11.176 3.400
170 2HG LYS 26 1HG LYS 26 1.232 -11.002 4.402
171 1HD LYS 26 2HD LYS 26 0.161 -12.566 5.689
172 2HD LYS 26 1HD LYS 26 -0.637 -11.136 6.346
173 1HE LYS 26 2HE LYS 26 -2.636 -11.597 5.286
174 2HE LYS 26 1HE LYS 26 -1.839 -12.343 3.888
175 1HZ LYS 26 1HZ LYS 26 -1.226 -14.223 5.263
176 2HZ LYS 26 2HZ LYS 26 -2.910 -14.006 5.308
177 3HZ LYS 26 3HZ LYS 26 -1.954 -13.512 6.621
178 H THR 27 H THR 27 -3.129 -8.810 4.655
179 HA THR 27 HA THR 27 -4.363 -11.216 3.714
180 HB THR 27 HB THR 27 -5.587 -8.637 4.768
181 HG1 THR 27 HG1 THR 27 -4.485 -9.224 6.455
182 1HG2 THR 27 1HG2 THR 27 -7.352 -10.252 5.612
183 2HG2 THR 27 2HG2 THR 27 -6.617 -11.477 4.578
184 3HG2 THR 27 3HG2 THR 27 -7.322 -10.029 3.862
185 H TRP 28 H TRP 28 -4.567 -7.844 2.607
186 HA TRP 28 HA TRP 28 -6.489 -8.442 0.470
187 1HB TRP 28 2HB TRP 28 -4.715 -6.027 0.984
188 2HB TRP 28 1HB TRP 28 -6.113 -6.068 -0.078
189 HD1 TRP 28 HD1 TRP 28 -7.242 -8.074 2.654
190 HE1 TRP 28 HE1 TRP 28 -8.516 -6.700 4.423
191 HE3 TRP 28 HE3 TRP 28 -5.840 -3.357 1.288
192 HZ2 TRP 28 HZ2 TRP 28 -8.899 -3.964 5.155
193 HZ3 TRP 28 HZ3 TRP 28 -6.675 -1.388 2.536
194 HH2 TRP 28 HH2 TRP 28 -8.201 -1.686 4.467
195 H GLY 29 H GLY 29 -2.997 -7.874 0.772
196 1HA GLY 29 2HA GLY 29 -1.318 -8.827 -0.633
197 2HA GLY 29 1HA GLY 29 -2.556 -9.198 -1.831
198 H TRP 30 H TRP 30 -2.741 -5.975 -0.578
199 HA TRP 30 HA TRP 30 -0.953 -4.877 -2.669
200 1HB TRP 30 2HB TRP 30 -2.691 -3.859 -3.939
201 2HB TRP 30 1HB TRP 30 -3.249 -5.502 -3.647
202 HD1 TRP 30 HD1 TRP 30 -3.661 -1.976 -2.098
203 HE1 TRP 30 HE1 TRP 30 -6.036 -1.802 -1.129
204 HE3 TRP 30 HE3 TRP 30 -5.337 -6.711 -3.014
205 HZ2 TRP 30 HZ2 TRP 30 -8.352 -3.444 -0.792
206 HZ3 TRP 30 HZ3 TRP 30 -7.634 -7.375 -2.365
207 HH2 TRP 30 HH2 TRP 30 -9.141 -5.750 -1.256
208 H CYS 31 H CYS 31 -1.248 -2.342 -2.646
209 HA CYS 31 HA CYS 31 -1.611 -1.437 0.190
210 1HB CYS 31 2HB CYS 31 0.773 -1.647 -0.617
211 2HB CYS 31 1HB CYS 31 0.406 -0.439 -1.850
212 H ALA 32 H ALA 32 -3.128 0.135 0.366
213 HA ALA 32 HA ALA 32 -3.525 2.083 -1.857
214 1HB ALA 32 1HB ALA 32 -5.726 0.429 -0.570
215 2HB ALA 32 2HB ALA 32 -5.050 0.125 -2.170
216 3HB ALA 32 3HB ALA 32 -5.936 1.617 -1.857
217 H VAL 33 H VAL 33 -5.419 3.687 -0.952
218 HA VAL 33 HA VAL 33 -4.363 5.040 1.328
219 HB VAL 33 HB VAL 33 -7.117 5.082 0.043
220 1HG1 VAL 33 1HG1 VAL 33 -7.361 6.126 2.176
221 2HG1 VAL 33 2HG1 VAL 33 -7.120 7.448 1.035
222 3HG1 VAL 33 3HG1 VAL 33 -5.786 6.909 2.054
223 1HG2 VAL 33 1HG2 VAL 33 -6.095 7.234 -0.945
224 2HG2 VAL 33 2HG2 VAL 33 -5.501 5.703 -1.589
225 3HG2 VAL 33 3HG2 VAL 33 -4.539 6.597 -0.411
226 H GLU 34 H GLU 34 -5.320 5.261 3.482
227 HA GLU 34 HA GLU 34 -5.977 2.798 4.770
228 1HB GLU 34 2HB GLU 34 -6.287 5.713 5.546
229 2HB GLU 34 1HB GLU 34 -6.531 4.383 6.677
230 1HG GLU 34 2HG GLU 34 -4.287 3.825 6.724
231 2HG GLU 34 1HG GLU 34 -3.995 4.419 5.090
232 H ALA 35 H ALA 35 -8.212 5.513 5.186
233 HA ALA 35 HA ALA 35 -10.444 4.303 3.771
234 1HB ALA 35 1HB ALA 35 -10.360 2.684 5.534
235 2HB ALA 35 2HB ALA 35 -11.671 3.781 5.966
236 3HB ALA 35 3HB ALA 35 -10.101 3.927 6.757
237 HA PRO 36 HA PRO 36 -11.597 8.548 4.393
238 1HB PRO 36 2HB PRO 36 -14.069 8.436 3.220
239 2HB PRO 36 1HB PRO 36 -12.556 8.462 2.291
240 1HG PRO 36 2HG PRO 36 -14.324 6.169 2.961
241 2HG PRO 36 1HG PRO 36 -13.420 6.504 1.477
242 1HD PRO 36 2HD PRO 36 -12.610 4.715 3.380
243 2HD PRO 36 1HD PRO 36 -11.503 5.557 2.276
Start of MODEL 12
1 1H ASP 1 1H ASP 1 15.616 9.372 -3.936
2 2H ASP 1 2H ASP 1 14.423 9.302 -5.146
3 3H ASP 1 3H ASP 1 14.191 8.493 -3.670
4 HA ASP 1 HA ASP 1 14.202 10.667 -2.508
5 1HB ASP 1 2HB ASP 1 15.595 11.635 -4.416
6 2HB ASP 1 1HB ASP 1 14.100 11.730 -5.346
7 H GLY 2 H GLY 2 12.191 9.709 -1.897
8 1HA GLY 2 2HA GLY 2 9.805 10.204 -1.866
9 2HA GLY 2 1HA GLY 2 9.884 10.528 -3.599
10 H GLU 3 H GLU 3 10.406 7.850 -1.283
11 HA GLU 3 HA GLU 3 9.866 5.838 -3.374
12 1HB GLU 3 2HB GLU 3 10.942 6.008 -0.638
13 2HB GLU 3 1HB GLU 3 9.957 4.572 -0.912
14 1HG GLU 3 2HG GLU 3 11.307 3.916 -2.804
15 2HG GLU 3 1HG GLU 3 12.193 5.442 -2.761
16 H CYS 4 H CYS 4 7.661 6.055 -3.950
17 HA CYS 4 HA CYS 4 5.708 5.305 -1.814
18 1HB CYS 4 2HB CYS 4 5.080 7.483 -1.821
19 2HB CYS 4 1HB CYS 4 6.005 7.825 -3.279
20 H GLY 5 H GLY 5 3.711 4.387 -2.710
21 1HA GLY 5 2HA GLY 5 4.196 2.978 -5.269
22 2HA GLY 5 1HA GLY 5 2.972 2.548 -4.072
23 H GLY 6 H GLY 6 0.953 2.929 -4.824
24 1HA GLY 6 2HA GLY 6 0.339 5.531 -6.078
25 2HA GLY 6 1HA GLY 6 0.035 4.107 -7.070
26 H PHE 7 H PHE 7 -2.258 4.440 -7.058
27 HA PHE 7 HA PHE 7 -3.730 4.621 -4.526
28 1HB PHE 7 2HB PHE 7 -4.529 5.772 -6.507
29 2HB PHE 7 1HB PHE 7 -4.519 4.273 -7.434
30 HD1 PHE 7 HD1 PHE 7 -5.817 5.293 -4.053
31 HD2 PHE 7 HD2 PHE 7 -6.662 3.463 -7.849
32 HE1 PHE 7 HE1 PHE 7 -8.129 4.800 -3.302
33 HE2 PHE 7 HE2 PHE 7 -8.973 2.973 -7.097
34 HZ PHE 7 HZ PHE 7 -9.707 3.639 -4.824
35 H TRP 8 H TRP 8 -3.241 2.120 -7.027
36 HA TRP 8 HA TRP 8 -4.094 0.080 -5.011
37 1HB TRP 8 2HB TRP 8 -5.886 0.813 -6.715
38 2HB TRP 8 1HB TRP 8 -4.894 0.007 -7.930
39 HD1 TRP 8 HD1 TRP 8 -6.457 -0.843 -4.483
40 HE1 TRP 8 HE1 TRP 8 -7.196 -3.313 -4.530
41 HE3 TRP 8 HE3 TRP 8 -4.869 -2.152 -9.159
42 HZ2 TRP 8 HZ2 TRP 8 -7.124 -5.547 -6.314
43 HZ3 TRP 8 HZ3 TRP 8 -5.218 -4.454 -10.006
44 HH2 TRP 8 HH2 TRP 8 -6.342 -6.152 -8.591
45 H TRP 9 H TRP 9 -1.644 -0.015 -4.941
46 HA TRP 9 HA TRP 9 -0.420 -1.425 -7.278
47 1HB TRP 9 2HB TRP 9 0.590 0.082 -4.854
48 2HB TRP 9 1HB TRP 9 1.675 -0.904 -5.831
49 HD1 TRP 9 HD1 TRP 9 -1.199 1.125 -7.356
50 HE1 TRP 9 HE1 TRP 9 -0.201 2.948 -8.871
51 HE3 TRP 9 HE3 TRP 9 3.764 0.530 -6.306
52 HZ2 TRP 9 HZ2 TRP 9 2.349 4.025 -9.537
53 HZ3 TRP 9 HZ3 TRP 9 5.453 1.974 -7.399
54 HH2 TRP 9 HH2 TRP 9 4.754 3.715 -9.017
55 H LYS 10 H LYS 10 1.248 -3.187 -6.495
56 HA LYS 10 HA LYS 10 -0.236 -5.065 -4.749
57 1HB LYS 10 2HB LYS 10 1.915 -5.142 -6.796
58 2HB LYS 10 1HB LYS 10 2.013 -6.370 -5.533
59 1HG LYS 10 2HG LYS 10 0.372 -7.544 -6.520
60 2HG LYS 10 1HG LYS 10 -0.718 -6.166 -6.370
61 1HD LYS 10 2HD LYS 10 1.337 -6.212 -8.564
62 2HD LYS 10 1HD LYS 10 -0.171 -7.103 -8.757
63 1HE LYS 10 2HE LYS 10 -0.930 -4.572 -7.752
64 2HE LYS 10 1HE LYS 10 0.280 -4.252 -9.010
65 1HZ LYS 10 1HZ LYS 10 -0.904 -5.766 -10.484
66 2HZ LYS 10 2HZ LYS 10 -1.925 -4.507 -9.980
67 3HZ LYS 10 3HZ LYS 10 -2.073 -6.051 -9.289
68 H CYS 11 H CYS 11 0.469 -5.700 -2.726
69 HA CYS 11 HA CYS 11 3.176 -4.943 -1.814
70 1HB CYS 11 2HB CYS 11 1.805 -2.967 -1.401
71 2HB CYS 11 1HB CYS 11 0.575 -3.948 -0.608
72 H GLY 12 H GLY 12 3.680 -5.972 0.286
73 1HA GLY 12 2HA GLY 12 2.015 -8.411 0.761
74 2HA GLY 12 1HA GLY 12 3.753 -8.326 1.056
75 H ARG 13 H ARG 13 4.299 -8.051 3.162
76 HA ARG 13 HA ARG 13 2.245 -7.139 5.101
77 1HB ARG 13 2HB ARG 13 5.087 -8.182 5.394
78 2HB ARG 13 1HB ARG 13 3.974 -7.899 6.732
79 1HG ARG 13 2HG ARG 13 2.841 -9.565 4.584
80 2HG ARG 13 1HG ARG 13 4.237 -10.286 5.384
81 1HD ARG 13 2HD ARG 13 3.060 -9.649 7.605
82 2HD ARG 13 1HD ARG 13 1.605 -9.449 6.608
83 HE ARG 13 HE ARG 13 2.014 -11.817 5.805
84 1HH1 ARG 13 1HH2 ARG 13 1.058 -12.002 8.591
85 2HH1 ARG 13 2HH2 ARG 13 2.269 -12.975 9.357
86 1HH2 ARG 13 1HH1 ARG 13 4.617 -12.497 6.840
87 2HH2 ARG 13 2HH1 ARG 13 4.291 -13.255 8.362
88 H GLY 14 H GLY 14 3.551 -5.220 3.151
89 1HA GLY 14 2HA GLY 14 3.842 -2.850 3.607
90 2HA GLY 14 1HA GLY 14 4.530 -3.269 5.175
91 H LYS 15 H LYS 15 5.412 -4.828 2.105
92 HA LYS 15 HA LYS 15 8.241 -4.313 2.606
93 1HB LYS 15 2HB LYS 15 6.594 -6.039 1.016
94 2HB LYS 15 1HB LYS 15 7.748 -5.239 -0.052
95 1HG LYS 15 2HG LYS 15 9.363 -6.620 0.673
96 2HG LYS 15 1HG LYS 15 9.161 -5.987 2.305
97 1HD LYS 15 2HD LYS 15 8.316 -7.966 2.950
98 2HD LYS 15 1HD LYS 15 6.980 -7.748 1.818
99 1HE LYS 15 2HE LYS 15 7.806 -9.380 0.483
100 2HE LYS 15 1HE LYS 15 9.366 -8.542 0.377
101 1HZ LYS 15 1HZ LYS 15 9.551 -10.719 1.479
102 2HZ LYS 15 2HZ LYS 15 8.480 -10.190 2.688
103 3HZ LYS 15 3HZ LYS 15 9.996 -9.443 2.504
104 HA PRO 16 HA PRO 16 7.908 -1.457 -1.189
105 1HB PRO 16 2HB PRO 16 5.474 -1.101 -2.388
106 2HB PRO 16 1HB PRO 16 6.591 -2.405 -2.839
107 1HG PRO 16 2HG PRO 16 4.145 -2.504 -1.161
108 2HG PRO 16 1HG PRO 16 4.791 -3.702 -2.292
109 1HD PRO 16 2HD PRO 16 5.036 -3.854 0.446
110 2HD PRO 16 1HD PRO 16 6.117 -4.661 -0.708
111 HA PRO 17 HA PRO 17 6.444 1.704 1.606
112 1HB PRO 17 2HB PRO 17 7.743 3.807 0.427
113 2HB PRO 17 1HB PRO 17 8.557 2.628 1.474
114 1HG PRO 17 2HG PRO 17 8.488 2.787 -1.500
115 2HG PRO 17 1HG PRO 17 9.836 2.383 -0.424
116 1HD PRO 17 2HD PRO 17 8.417 0.508 -1.780
117 2HD PRO 17 1HD PRO 17 9.185 0.194 -0.208
118 H CYS 18 H CYS 18 4.292 2.207 1.296
119 HA CYS 18 HA CYS 18 3.261 3.085 -1.315
120 1HB CYS 18 2HB CYS 18 2.026 2.751 1.443
121 2HB CYS 18 1HB CYS 18 1.110 3.106 -0.020
122 H CYS 19 H CYS 19 2.034 5.152 -1.505
123 HA CYS 19 HA CYS 19 3.515 7.450 -0.668
124 1HB CYS 19 2HB CYS 19 1.169 6.758 -2.216
125 2HB CYS 19 1HB CYS 19 0.853 8.203 -1.258
126 H LYS 20 H LYS 20 3.025 9.041 0.928
127 HA LYS 20 HA LYS 20 2.135 8.200 3.459
128 1HB LYS 20 2HB LYS 20 3.497 10.246 2.737
129 2HB LYS 20 1HB LYS 20 1.954 11.018 2.370
130 1HG LYS 20 2HG LYS 20 1.507 11.389 4.556
131 2HG LYS 20 1HG LYS 20 1.970 9.749 5.008
132 1HD LYS 20 2HD LYS 20 4.384 10.966 4.315
133 2HD LYS 20 1HD LYS 20 3.511 12.220 5.195
134 1HE LYS 20 2HE LYS 20 3.556 9.428 6.315
135 2HE LYS 20 1HE LYS 20 4.966 10.478 6.543
136 1HZ LYS 20 1HZ LYS 20 2.158 11.242 7.158
137 2HZ LYS 20 2HZ LYS 20 3.540 12.197 7.419
138 3HZ LYS 20 3HZ LYS 20 3.308 10.772 8.313
139 H GLY 21 H GLY 21 0.096 7.700 4.150
140 1HA GLY 21 2HA GLY 21 -2.222 8.520 4.523
141 2HA GLY 21 1HA GLY 21 -2.220 9.084 2.853
142 H TYR 22 H TYR 22 -0.793 6.559 1.984
143 HA TYR 22 HA TYR 22 -3.220 4.901 1.641
144 1HB TYR 22 2HB TYR 22 -0.383 4.644 0.575
145 2HB TYR 22 1HB TYR 22 -1.775 3.728 0.010
146 HD1 TYR 22 HD1 TYR 22 -0.292 5.146 -1.980
147 HD2 TYR 22 HD2 TYR 22 -3.343 6.664 0.639
148 HE1 TYR 22 HE1 TYR 22 -0.806 6.937 -3.612
149 HE2 TYR 22 HE2 TYR 22 -3.850 8.455 -0.996
150 HH TYR 22 HH TYR 22 -3.206 8.430 -4.006
151 H ALA 23 H ALA 23 -3.099 2.542 2.052
152 HA ALA 23 HA ALA 23 -1.116 1.777 4.167
153 1HB ALA 23 1HB ALA 23 -3.345 2.434 5.083
154 2HB ALA 23 2HB ALA 23 -2.977 0.736 5.381
155 3HB ALA 23 3HB ALA 23 -4.094 1.184 4.090
156 H CYS 24 H CYS 24 -0.409 -0.377 4.049
157 HA CYS 24 HA CYS 24 -0.972 -1.801 1.515
158 1HB CYS 24 2HB CYS 24 1.322 -1.534 2.236
159 2HB CYS 24 1HB CYS 24 0.949 -2.188 3.830
160 H SER 25 H SER 25 -1.448 -4.163 1.591
161 HA SER 25 HA SER 25 -2.868 -5.044 4.067
162 1HB SER 25 2HB SER 25 -3.899 -4.782 1.246
163 2HB SER 25 1HB SER 25 -4.645 -5.903 2.382
164 HG SER 25 HG SER 25 -4.730 -3.158 2.272
165 H LYS 26 H LYS 26 -1.224 -6.624 4.478
166 HA LYS 26 HA LYS 26 -0.119 -8.417 2.544
167 1HB LYS 26 2HB LYS 26 0.416 -9.770 4.602
168 2HB LYS 26 1HB LYS 26 0.876 -8.077 4.725
169 1HG LYS 26 2HG LYS 26 -1.819 -8.311 5.645
170 2HG LYS 26 1HG LYS 26 -0.869 -9.566 6.436
171 1HD LYS 26 2HD LYS 26 -0.016 -8.015 7.821
172 2HD LYS 26 1HD LYS 26 0.714 -7.202 6.435
173 1HE LYS 26 2HE LYS 26 -0.834 -5.534 6.482
174 2HE LYS 26 1HE LYS 26 -2.173 -6.678 6.682
175 1HZ LYS 26 1HZ LYS 26 -1.908 -5.364 8.681
176 2HZ LYS 26 2HZ LYS 26 -0.274 -5.813 8.801
177 3HZ LYS 26 3HZ LYS 26 -1.496 -6.978 9.002
178 H THR 27 H THR 27 -3.107 -8.536 4.412
179 HA THR 27 HA THR 27 -3.768 -11.301 3.840
180 HB THR 27 HB THR 27 -5.643 -9.011 4.499
181 HG1 THR 27 HG1 THR 27 -4.518 -8.802 6.245
182 1HG2 THR 27 1HG2 THR 27 -5.755 -11.828 5.550
183 2HG2 THR 27 2HG2 THR 27 -6.413 -11.443 3.959
184 3HG2 THR 27 3HG2 THR 27 -7.057 -10.648 5.395
185 H TRP 28 H TRP 28 -4.571 -8.188 2.329
186 HA TRP 28 HA TRP 28 -6.318 -9.425 0.312
187 1HB TRP 28 2HB TRP 28 -5.152 -6.633 0.612
188 2HB TRP 28 1HB TRP 28 -6.440 -7.078 -0.500
189 HD1 TRP 28 HD1 TRP 28 -7.319 -9.114 2.246
190 HE1 TRP 28 HE1 TRP 28 -8.954 -7.974 3.876
191 HE3 TRP 28 HE3 TRP 28 -6.774 -4.243 0.794
192 HZ2 TRP 28 HZ2 TRP 28 -9.914 -5.355 4.482
193 HZ3 TRP 28 HZ3 TRP 28 -8.065 -2.450 1.917
194 HH2 TRP 28 HH2 TRP 28 -9.632 -3.001 3.758
195 H GLY 29 H GLY 29 -3.129 -7.796 0.329
196 1HA GLY 29 2HA GLY 29 -1.282 -8.840 -0.948
197 2HA GLY 29 1HA GLY 29 -2.463 -9.298 -2.169
198 H TRP 30 H TRP 30 -2.901 -6.093 -0.903
199 HA TRP 30 HA TRP 30 -1.162 -4.887 -2.972
200 1HB TRP 30 2HB TRP 30 -2.955 -3.942 -4.235
201 2HB TRP 30 1HB TRP 30 -3.381 -5.631 -3.995
202 HD1 TRP 30 HD1 TRP 30 -4.079 -2.206 -2.335
203 HE1 TRP 30 HE1 TRP 30 -6.481 -2.239 -1.419
204 HE3 TRP 30 HE3 TRP 30 -5.388 -7.009 -3.473
205 HZ2 TRP 30 HZ2 TRP 30 -8.679 -4.057 -1.203
206 HZ3 TRP 30 HZ3 TRP 30 -7.645 -7.861 -2.907
207 HH2 TRP 30 HH2 TRP 30 -9.289 -6.390 -1.774
208 H CYS 31 H CYS 31 -1.663 -2.361 -2.955
209 HA CYS 31 HA CYS 31 -2.044 -1.494 -0.105
210 1HB CYS 31 2HB CYS 31 0.347 -1.650 -1.070
211 2HB CYS 31 1HB CYS 31 -0.106 -0.288 -2.095
212 H ALA 32 H ALA 32 -3.545 0.138 0.090
213 HA ALA 32 HA ALA 32 -4.016 1.996 -2.185
214 1HB ALA 32 1HB ALA 32 -6.107 0.188 -0.931
215 2HB ALA 32 2HB ALA 32 -5.473 0.057 -2.572
216 3HB ALA 32 3HB ALA 32 -6.449 1.452 -2.112
217 H VAL 33 H VAL 33 -5.932 3.554 -1.422
218 HA VAL 33 HA VAL 33 -5.031 4.865 1.003
219 HB VAL 33 HB VAL 33 -7.565 5.250 -0.632
220 1HG1 VAL 33 1HG1 VAL 33 -7.228 7.641 0.183
221 2HG1 VAL 33 2HG1 VAL 33 -6.033 6.997 1.308
222 3HG1 VAL 33 3HG1 VAL 33 -7.715 6.481 1.417
223 1HG2 VAL 33 1HG2 VAL 33 -4.806 5.595 -1.360
224 2HG2 VAL 33 2HG2 VAL 33 -5.557 7.185 -1.235
225 3HG2 VAL 33 3HG2 VAL 33 -6.244 5.969 -2.310
226 H GLU 34 H GLU 34 -5.702 4.449 3.074
227 HA GLU 34 HA GLU 34 -7.874 2.495 3.533
228 1HB GLU 34 2HB GLU 34 -7.001 2.526 5.827
229 2HB GLU 34 1HB GLU 34 -5.672 2.372 4.680
230 1HG GLU 34 2HG GLU 34 -4.724 4.228 5.519
231 2HG GLU 34 1HG GLU 34 -6.156 5.163 5.088
232 H ALA 35 H ALA 35 -7.479 5.942 3.565
233 HA ALA 35 HA ALA 35 -8.942 7.688 4.154
234 1HB ALA 35 1HB ALA 35 -10.796 7.105 3.006
235 2HB ALA 35 2HB ALA 35 -11.382 6.278 4.448
236 3HB ALA 35 3HB ALA 35 -10.447 5.393 3.245
237 HA PRO 36 HA PRO 36 -8.757 6.432 8.596
238 1HB PRO 36 2HB PRO 36 -7.426 8.678 9.427
239 2HB PRO 36 1HB PRO 36 -6.598 7.235 8.807
240 1HG PRO 36 2HG PRO 36 -7.223 9.798 7.425
241 2HG PRO 36 1HG PRO 36 -5.771 8.789 7.332
242 1HD PRO 36 2HD PRO 36 -7.709 8.797 5.420
243 2HD PRO 36 1HD PRO 36 -6.687 7.384 5.770
Start of MODEL 13
1 1H ASP 1 1H ASP 1 15.605 11.169 -3.914
2 2H ASP 1 2H ASP 1 15.971 11.867 -2.411
3 3H ASP 1 3H ASP 1 14.541 12.293 -3.223
4 HA ASP 1 HA ASP 1 15.152 9.580 -2.156
5 1HB ASP 1 2HB ASP 1 13.759 10.194 -0.316
6 2HB ASP 1 1HB ASP 1 14.833 11.570 -0.557
7 H GLY 2 H GLY 2 13.093 8.267 -2.113
8 1HA GLY 2 2HA GLY 2 10.778 9.034 -3.626
9 2HA GLY 2 1HA GLY 2 11.858 8.083 -4.644
10 H GLU 3 H GLU 3 9.581 7.968 -2.037
11 HA GLU 3 HA GLU 3 9.795 4.984 -2.033
12 1HB GLU 3 2HB GLU 3 10.464 6.850 0.070
13 2HB GLU 3 1HB GLU 3 9.123 5.823 0.586
14 1HG GLU 3 2HG GLU 3 10.351 3.835 0.195
15 2HG GLU 3 1HG GLU 3 11.580 4.685 -0.741
16 H CYS 4 H CYS 4 7.902 5.509 -3.520
17 HA CYS 4 HA CYS 4 5.389 5.402 -1.948
18 1HB CYS 4 2HB CYS 4 5.306 7.683 -2.255
19 2HB CYS 4 1HB CYS 4 6.319 7.631 -3.693
20 H GLY 5 H GLY 5 3.605 4.576 -3.208
21 1HA GLY 5 2HA GLY 5 4.447 3.165 -5.700
22 2HA GLY 5 1HA GLY 5 3.245 2.533 -4.572
23 H GLY 6 H GLY 6 1.131 3.060 -4.923
24 1HA GLY 6 2HA GLY 6 0.417 5.509 -6.396
25 2HA GLY 6 1HA GLY 6 -0.007 3.995 -7.190
26 H PHE 7 H PHE 7 -2.280 4.760 -6.915
27 HA PHE 7 HA PHE 7 -3.380 4.901 -4.192
28 1HB PHE 7 2HB PHE 7 -5.427 5.456 -5.335
29 2HB PHE 7 1HB PHE 7 -4.124 6.253 -6.208
30 HD1 PHE 7 HD1 PHE 7 -3.440 5.497 -8.432
31 HD2 PHE 7 HD2 PHE 7 -6.591 3.514 -6.287
32 HE1 PHE 7 HE1 PHE 7 -4.126 4.335 -10.512
33 HE2 PHE 7 HE2 PHE 7 -7.273 2.350 -8.367
34 HZ PHE 7 HZ PHE 7 -6.042 2.761 -10.479
35 H TRP 8 H TRP 8 -2.881 2.396 -6.564
36 HA TRP 8 HA TRP 8 -4.086 0.417 -4.728
37 1HB TRP 8 2HB TRP 8 -5.931 1.302 -6.171
38 2HB TRP 8 1HB TRP 8 -5.032 0.779 -7.593
39 HD1 TRP 8 HD1 TRP 8 -5.860 -1.014 -4.249
40 HE1 TRP 8 HE1 TRP 8 -6.839 -3.331 -4.816
41 HE3 TRP 8 HE3 TRP 8 -5.832 -0.759 -9.348
42 HZ2 TRP 8 HZ2 TRP 8 -7.522 -4.872 -7.129
43 HZ3 TRP 8 HZ3 TRP 8 -6.652 -2.662 -10.707
44 HH2 TRP 8 HH2 TRP 8 -7.496 -4.715 -9.606
45 H TRP 9 H TRP 9 -1.614 0.124 -4.822
46 HA TRP 9 HA TRP 9 -0.711 -1.353 -7.265
47 1HB TRP 9 2HB TRP 9 0.624 0.085 -4.963
48 2HB TRP 9 1HB TRP 9 1.542 -1.004 -6.000
49 HD1 TRP 9 HD1 TRP 9 -1.264 1.101 -7.490
50 HE1 TRP 9 HE1 TRP 9 -0.241 2.865 -9.057
51 HE3 TRP 9 HE3 TRP 9 3.697 0.427 -6.469
52 HZ2 TRP 9 HZ2 TRP 9 2.321 3.871 -9.770
53 HZ3 TRP 9 HZ3 TRP 9 5.406 1.809 -7.615
54 HH2 TRP 9 HH2 TRP 9 4.726 3.525 -9.269
55 H LYS 10 H LYS 10 0.769 -3.288 -6.737
56 HA LYS 10 HA LYS 10 -0.597 -5.012 -4.747
57 1HB LYS 10 2HB LYS 10 1.124 -5.299 -7.150
58 2HB LYS 10 1HB LYS 10 1.305 -6.553 -5.925
59 1HG LYS 10 2HG LYS 10 -0.751 -7.423 -6.332
60 2HG LYS 10 1HG LYS 10 -1.494 -5.833 -6.501
61 1HD LYS 10 2HD LYS 10 -0.712 -5.619 -8.769
62 2HD LYS 10 1HD LYS 10 0.293 -7.060 -8.616
63 1HE LYS 10 2HE LYS 10 -1.631 -7.843 -9.765
64 2HE LYS 10 1HE LYS 10 -1.958 -8.286 -8.079
65 1HZ LYS 10 1HZ LYS 10 -2.784 -5.698 -9.283
66 2HZ LYS 10 2HZ LYS 10 -3.236 -6.323 -7.769
67 3HZ LYS 10 3HZ LYS 10 -3.804 -7.049 -9.195
68 H CYS 11 H CYS 11 0.355 -5.683 -2.842
69 HA CYS 11 HA CYS 11 3.272 -5.376 -2.477
70 1HB CYS 11 2HB CYS 11 2.965 -3.953 -0.491
71 2HB CYS 11 1HB CYS 11 2.231 -3.188 -1.898
72 H GLY 12 H GLY 12 4.042 -6.551 -0.567
73 1HA GLY 12 2HA GLY 12 2.282 -8.825 0.122
74 2HA GLY 12 1HA GLY 12 4.002 -8.694 0.500
75 H ARG 13 H ARG 13 4.414 -8.393 2.632
76 HA ARG 13 HA ARG 13 2.252 -7.449 4.431
77 1HB ARG 13 2HB ARG 13 3.903 -9.461 4.712
78 2HB ARG 13 1HB ARG 13 5.067 -8.230 5.200
79 1HG ARG 13 2HG ARG 13 4.181 -8.328 7.270
80 2HG ARG 13 1HG ARG 13 2.715 -7.605 6.607
81 1HD ARG 13 2HD ARG 13 1.644 -9.685 6.362
82 2HD ARG 13 1HD ARG 13 3.175 -10.581 6.378
83 HE ARG 13 HE ARG 13 2.217 -9.115 8.808
84 1HH1 ARG 13 1HH2 ARG 13 4.877 -10.716 8.405
85 2HH1 ARG 13 2HH2 ARG 13 4.499 -12.145 9.307
86 1HH2 ARG 13 1HH1 ARG 13 1.093 -11.472 9.453
87 2HH2 ARG 13 2HH1 ARG 13 2.351 -12.574 9.901
88 H GLY 14 H GLY 14 3.000 -5.357 2.799
89 1HA GLY 14 2HA GLY 14 3.497 -3.066 3.094
90 2HA GLY 14 1HA GLY 14 4.097 -3.436 4.711
91 H LYS 15 H LYS 15 5.152 -4.960 1.674
92 HA LYS 15 HA LYS 15 7.948 -4.490 2.350
93 1HB LYS 15 2HB LYS 15 6.336 -6.049 0.483
94 2HB LYS 15 1HB LYS 15 7.787 -5.400 -0.281
95 1HG LYS 15 2HG LYS 15 8.263 -6.489 2.411
96 2HG LYS 15 1HG LYS 15 7.706 -7.693 1.248
97 1HD LYS 15 2HD LYS 15 9.783 -7.775 0.394
98 2HD LYS 15 1HD LYS 15 9.605 -6.097 -0.116
99 1HE LYS 15 2HE LYS 15 10.358 -5.379 2.182
100 2HE LYS 15 1HE LYS 15 10.703 -7.082 2.540
101 1HZ LYS 15 1HZ LYS 15 12.096 -7.158 0.540
102 2HZ LYS 15 2HZ LYS 15 12.673 -6.018 1.657
103 3HZ LYS 15 3HZ LYS 15 11.822 -5.504 0.280
104 HA PRO 16 HA PRO 16 7.917 -1.581 -1.417
105 1HB PRO 16 2HB PRO 16 5.574 -1.144 -2.759
106 2HB PRO 16 1HB PRO 16 6.677 -2.476 -3.154
107 1HG PRO 16 2HG PRO 16 4.138 -2.517 -1.620
108 2HG PRO 16 1HG PRO 16 4.806 -3.721 -2.731
109 1HD PRO 16 2HD PRO 16 4.892 -3.921 0.011
110 2HD PRO 16 1HD PRO 16 6.021 -4.737 -1.091
111 HA PRO 17 HA PRO 17 6.322 1.627 1.238
112 1HB PRO 17 2HB PRO 17 7.760 3.697 0.174
113 2HB PRO 17 1HB PRO 17 8.464 2.490 1.268
114 1HG PRO 17 2HG PRO 17 8.668 2.709 -1.686
115 2HG PRO 17 1HG PRO 17 9.874 2.180 -0.504
116 1HD PRO 17 2HD PRO 17 8.408 0.481 -2.084
117 2HD PRO 17 1HD PRO 17 9.140 0.026 -0.531
118 H CYS 18 H CYS 18 4.295 2.439 0.879
119 HA CYS 18 HA CYS 18 3.433 3.233 -1.836
120 1HB CYS 18 2HB CYS 18 2.265 2.334 0.691
121 2HB CYS 18 1HB CYS 18 1.379 3.697 0.007
122 H CYS 19 H CYS 19 2.074 5.347 -1.924
123 HA CYS 19 HA CYS 19 3.725 7.591 -1.163
124 1HB CYS 19 2HB CYS 19 1.336 6.999 -2.702
125 2HB CYS 19 1HB CYS 19 1.116 8.480 -1.770
126 H LYS 20 H LYS 20 3.318 9.194 0.443
127 HA LYS 20 HA LYS 20 2.436 8.403 2.978
128 1HB LYS 20 2HB LYS 20 3.833 10.392 2.328
129 2HB LYS 20 1HB LYS 20 2.357 11.193 1.791
130 1HG LYS 20 2HG LYS 20 2.147 11.942 3.912
131 2HG LYS 20 1HG LYS 20 1.716 10.288 4.344
132 1HD LYS 20 2HD LYS 20 3.510 10.426 5.738
133 2HD LYS 20 1HD LYS 20 4.445 10.116 4.276
134 1HE LYS 20 2HE LYS 20 5.045 12.371 4.020
135 2HE LYS 20 1HE LYS 20 3.670 12.945 4.985
136 1HZ LYS 20 1HZ LYS 20 5.895 11.290 6.059
137 2HZ LYS 20 2HZ LYS 20 4.624 11.985 6.947
138 3HZ LYS 20 3HZ LYS 20 5.798 12.976 6.223
139 H GLY 21 H GLY 21 0.391 7.606 3.361
140 1HA GLY 21 2HA GLY 21 -1.911 8.646 3.892
141 2HA GLY 21 1HA GLY 21 -1.938 9.058 2.177
142 H TYR 22 H TYR 22 -0.740 6.643 1.187
143 HA TYR 22 HA TYR 22 -3.080 4.836 1.409
144 1HB TYR 22 2HB TYR 22 -0.606 4.504 -0.306
145 2HB TYR 22 1HB TYR 22 -2.222 3.877 -0.608
146 HD1 TYR 22 HD1 TYR 22 -3.828 6.365 0.046
147 HD2 TYR 22 HD2 TYR 22 -0.234 5.817 -2.242
148 HE1 TYR 22 HE1 TYR 22 -4.354 8.400 -1.269
149 HE2 TYR 22 HE2 TYR 22 -0.761 7.853 -3.556
150 HH TYR 22 HH TYR 22 -3.200 9.115 -4.092
151 H ALA 23 H ALA 23 -2.959 2.750 2.281
152 HA ALA 23 HA ALA 23 -0.366 1.983 3.590
153 1HB ALA 23 1HB ALA 23 -1.626 1.275 5.439
154 2HB ALA 23 2HB ALA 23 -3.092 1.071 4.482
155 3HB ALA 23 3HB ALA 23 -2.533 2.690 4.905
156 H CYS 24 H CYS 24 0.193 -0.269 3.505
157 HA CYS 24 HA CYS 24 -0.948 -1.720 1.193
158 1HB CYS 24 2HB CYS 24 1.441 -1.614 1.361
159 2HB CYS 24 1HB CYS 24 1.409 -2.094 3.056
160 H SER 25 H SER 25 -1.565 -4.013 1.428
161 HA SER 25 HA SER 25 -2.509 -4.756 4.166
162 1HB SER 25 2HB SER 25 -4.019 -4.693 1.549
163 2HB SER 25 1HB SER 25 -4.608 -5.549 2.971
164 HG SER 25 HG SER 25 -4.993 -3.691 3.942
165 H LYS 26 H LYS 26 -1.171 -6.524 4.535
166 HA LYS 26 HA LYS 26 -0.300 -8.374 2.509
167 1HB LYS 26 2HB LYS 26 0.742 -9.450 4.319
168 2HB LYS 26 1HB LYS 26 0.584 -7.798 4.903
169 1HG LYS 26 2HG LYS 26 -1.635 -9.731 5.480
170 2HG LYS 26 1HG LYS 26 -0.150 -9.849 6.414
171 1HD LYS 26 2HD LYS 26 -0.339 -7.428 6.971
172 2HD LYS 26 1HD LYS 26 -1.884 -7.381 6.121
173 1HE LYS 26 2HE LYS 26 -2.563 -7.749 8.343
174 2HE LYS 26 1HE LYS 26 -2.487 -9.406 7.715
175 1HZ LYS 26 1HZ LYS 26 -0.230 -8.002 9.051
176 2HZ LYS 26 2HZ LYS 26 -0.249 -9.619 8.529
177 3HZ LYS 26 3HZ LYS 26 -1.244 -9.128 9.814
178 H THR 27 H THR 27 -3.120 -8.252 4.616
179 HA THR 27 HA THR 27 -4.047 -10.951 4.239
180 HB THR 27 HB THR 27 -5.596 -8.395 4.805
181 HG1 THR 27 HG1 THR 27 -4.744 -8.474 6.716
182 1HG2 THR 27 1HG2 THR 27 -7.299 -9.761 5.686
183 2HG2 THR 27 2HG2 THR 27 -6.244 -11.171 5.788
184 3HG2 THR 27 3HG2 THR 27 -6.816 -10.609 4.217
185 H TRP 28 H TRP 28 -4.674 -7.912 2.503
186 HA TRP 28 HA TRP 28 -6.513 -9.226 0.601
187 1HB TRP 28 2HB TRP 28 -5.315 -6.434 0.667
188 2HB TRP 28 1HB TRP 28 -6.696 -6.944 -0.293
189 HD1 TRP 28 HD1 TRP 28 -7.618 -8.785 2.454
190 HE1 TRP 28 HE1 TRP 28 -8.989 -7.491 4.206
191 HE3 TRP 28 HE3 TRP 28 -6.511 -3.995 1.080
192 HZ2 TRP 28 HZ2 TRP 28 -9.558 -4.783 4.924
193 HZ3 TRP 28 HZ3 TRP 28 -7.483 -2.077 2.313
194 HH2 TRP 28 HH2 TRP 28 -9.004 -2.467 4.233
195 H GLY 29 H GLY 29 -3.320 -7.607 0.465
196 1HA GLY 29 2HA GLY 29 -1.515 -8.742 -0.813
197 2HA GLY 29 1HA GLY 29 -2.734 -9.192 -2.000
198 H TRP 30 H TRP 30 -3.100 -5.965 -0.773
199 HA TRP 30 HA TRP 30 -1.380 -4.799 -2.883
200 1HB TRP 30 2HB TRP 30 -3.184 -3.855 -4.132
201 2HB TRP 30 1HB TRP 30 -3.621 -5.539 -3.866
202 HD1 TRP 30 HD1 TRP 30 -4.269 -2.083 -2.252
203 HE1 TRP 30 HE1 TRP 30 -6.646 -2.092 -1.277
204 HE3 TRP 30 HE3 TRP 30 -5.620 -6.903 -3.261
205 HZ2 TRP 30 HZ2 TRP 30 -8.844 -3.896 -0.967
206 HZ3 TRP 30 HZ3 TRP 30 -7.864 -7.737 -2.620
207 HH2 TRP 30 HH2 TRP 30 -9.476 -6.239 -1.475
208 H CYS 31 H CYS 31 -1.822 -2.276 -2.888
209 HA CYS 31 HA CYS 31 -2.195 -1.354 -0.056
210 1HB CYS 31 2HB CYS 31 0.151 -1.346 -0.538
211 2HB CYS 31 1HB CYS 31 -0.112 -0.684 -2.150
212 H ALA 32 H ALA 32 -3.666 0.279 0.139
213 HA ALA 32 HA ALA 32 -4.179 2.111 -2.152
214 1HB ALA 32 1HB ALA 32 -5.713 -0.167 -1.646
215 2HB ALA 32 2HB ALA 32 -6.213 1.217 -2.615
216 3HB ALA 32 3HB ALA 32 -6.642 1.137 -0.909
217 H VAL 33 H VAL 33 -6.232 3.583 -1.208
218 HA VAL 33 HA VAL 33 -5.083 5.021 1.046
219 HB VAL 33 HB VAL 33 -7.852 5.310 -0.163
220 1HG1 VAL 33 1HG1 VAL 33 -5.938 7.357 0.995
221 2HG1 VAL 33 2HG1 VAL 33 -7.259 6.617 1.900
222 3HG1 VAL 33 3HG1 VAL 33 -7.608 7.633 0.502
223 1HG2 VAL 33 1HG2 VAL 33 -6.839 5.739 -2.142
224 2HG2 VAL 33 2HG2 VAL 33 -5.239 5.639 -1.412
225 3HG2 VAL 33 3HG2 VAL 33 -6.128 7.160 -1.379
226 H GLU 34 H GLU 34 -5.390 4.497 3.165
227 HA GLU 34 HA GLU 34 -7.430 2.521 3.947
228 1HB GLU 34 2HB GLU 34 -4.920 3.625 4.915
229 2HB GLU 34 1HB GLU 34 -6.122 3.581 6.205
230 1HG GLU 34 2HG GLU 34 -5.702 1.194 4.415
231 2HG GLU 34 1HG GLU 34 -4.666 1.462 5.817
232 H ALA 35 H ALA 35 -8.798 3.008 5.930
233 HA ALA 35 HA ALA 35 -9.886 5.800 5.775
234 1HB ALA 35 1HB ALA 35 -11.112 3.105 6.432
235 2HB ALA 35 2HB ALA 35 -11.437 4.108 5.018
236 3HB ALA 35 3HB ALA 35 -11.977 4.633 6.613
237 HA PRO 36 HA PRO 36 -8.443 6.100 9.979
238 1HB PRO 36 2HB PRO 36 -9.541 8.548 10.532
239 2HB PRO 36 1HB PRO 36 -8.069 8.342 9.561
240 1HG PRO 36 2HG PRO 36 -10.862 8.855 8.678
241 2HG PRO 36 1HG PRO 36 -9.338 9.474 8.024
242 1HD PRO 36 2HD PRO 36 -10.764 7.437 6.887
243 2HD PRO 36 1HD PRO 36 -9.007 7.637 6.707
Start of MODEL 14
1 1H ASP 1 1H ASP 1 16.122 8.266 -1.910
2 2H ASP 1 2H ASP 1 15.958 9.778 -1.155
3 3H ASP 1 3H ASP 1 16.723 9.662 -2.667
4 HA ASP 1 HA ASP 1 14.443 10.534 -2.864
5 1HB ASP 1 2HB ASP 1 13.982 9.146 -4.766
6 2HB ASP 1 1HB ASP 1 15.733 9.121 -4.568
7 H GLY 2 H GLY 2 12.149 10.051 -2.691
8 1HA GLY 2 2HA GLY 2 11.539 8.126 -0.499
9 2HA GLY 2 1HA GLY 2 10.519 9.483 -0.973
10 H GLU 3 H GLU 3 11.154 6.143 -1.454
11 HA GLU 3 HA GLU 3 9.880 5.818 -4.043
12 1HB GLU 3 2HB GLU 3 10.788 4.098 -1.758
13 2HB GLU 3 1HB GLU 3 9.746 3.382 -2.988
14 1HG GLU 3 2HG GLU 3 11.306 3.788 -4.716
15 2HG GLU 3 1HG GLU 3 12.203 4.957 -3.749
16 H CYS 4 H CYS 4 7.712 5.732 -4.483
17 HA CYS 4 HA CYS 4 5.798 5.201 -2.242
18 1HB CYS 4 2HB CYS 4 5.264 7.400 -2.354
19 2HB CYS 4 1HB CYS 4 6.287 7.629 -3.766
20 H GLY 5 H GLY 5 3.661 4.454 -3.060
21 1HA GLY 5 2HA GLY 5 3.954 2.912 -5.577
22 2HA GLY 5 1HA GLY 5 2.805 2.551 -4.288
23 H GLY 6 H GLY 6 0.762 2.944 -4.954
24 1HA GLY 6 2HA GLY 6 0.113 5.548 -6.188
25 2HA GLY 6 1HA GLY 6 -0.285 4.117 -7.137
26 H PHE 7 H PHE 7 -2.583 4.648 -6.928
27 HA PHE 7 HA PHE 7 -3.821 4.799 -4.286
28 1HB PHE 7 2HB PHE 7 -4.486 5.675 -6.742
29 2HB PHE 7 1HB PHE 7 -5.396 4.163 -6.735
30 HD1 PHE 7 HD1 PHE 7 -6.840 3.679 -4.611
31 HD2 PHE 7 HD2 PHE 7 -5.377 7.574 -5.685
32 HE1 PHE 7 HE1 PHE 7 -8.565 4.724 -3.170
33 HE2 PHE 7 HE2 PHE 7 -7.105 8.618 -4.244
34 HZ PHE 7 HZ PHE 7 -8.699 7.193 -2.987
35 H TRP 8 H TRP 8 -3.420 2.267 -6.745
36 HA TRP 8 HA TRP 8 -4.245 0.258 -4.702
37 1HB TRP 8 2HB TRP 8 -6.225 0.851 -6.047
38 2HB TRP 8 1HB TRP 8 -5.331 0.514 -7.529
39 HD1 TRP 8 HD1 TRP 8 -6.167 -1.405 -4.256
40 HE1 TRP 8 HE1 TRP 8 -6.704 -3.847 -4.885
41 HE3 TRP 8 HE3 TRP 8 -5.437 -1.198 -9.308
42 HZ2 TRP 8 HZ2 TRP 8 -6.812 -5.495 -7.223
43 HZ3 TRP 8 HZ3 TRP 8 -5.766 -3.213 -10.709
44 HH2 TRP 8 HH2 TRP 8 -6.451 -5.359 -9.674
45 H TRP 9 H TRP 9 -1.823 0.028 -4.775
46 HA TRP 9 HA TRP 9 -0.821 -1.399 -7.215
47 1HB TRP 9 2HB TRP 9 0.442 0.108 -4.911
48 2HB TRP 9 1HB TRP 9 1.407 -0.921 -5.967
49 HD1 TRP 9 HD1 TRP 9 -1.524 1.120 -7.336
50 HE1 TRP 9 HE1 TRP 9 -0.612 2.929 -8.919
51 HE3 TRP 9 HE3 TRP 9 3.491 0.541 -6.549
52 HZ2 TRP 9 HZ2 TRP 9 1.895 3.999 -9.737
53 HZ3 TRP 9 HZ3 TRP 9 5.116 1.974 -7.752
54 HH2 TRP 9 HH2 TRP 9 4.326 3.699 -9.347
55 H LYS 10 H LYS 10 0.391 -3.435 -6.837
56 HA LYS 10 HA LYS 10 -0.776 -4.985 -4.603
57 1HB LYS 10 2HB LYS 10 0.588 -5.484 -7.195
58 2HB LYS 10 1HB LYS 10 0.827 -6.708 -5.947
59 1HG LYS 10 2HG LYS 10 -1.167 -7.546 -6.613
60 2HG LYS 10 1HG LYS 10 -1.881 -6.178 -5.760
61 1HD LYS 10 2HD LYS 10 -0.987 -5.306 -8.353
62 2HD LYS 10 1HD LYS 10 -2.000 -6.736 -8.541
63 1HE LYS 10 2HE LYS 10 -3.854 -5.503 -8.127
64 2HE LYS 10 1HE LYS 10 -3.185 -4.986 -6.567
65 1HZ LYS 10 1HZ LYS 10 -3.412 -3.044 -7.890
66 2HZ LYS 10 2HZ LYS 10 -2.688 -3.781 -9.237
67 3HZ LYS 10 3HZ LYS 10 -1.758 -3.409 -7.865
68 H CYS 11 H CYS 11 0.324 -5.537 -2.779
69 HA CYS 11 HA CYS 11 3.274 -5.591 -2.783
70 1HB CYS 11 2HB CYS 11 3.444 -3.952 -0.996
71 2HB CYS 11 1HB CYS 11 2.498 -3.238 -2.300
72 H GLY 12 H GLY 12 4.073 -6.448 -0.590
73 1HA GLY 12 2HA GLY 12 2.370 -8.689 0.233
74 2HA GLY 12 1HA GLY 12 4.006 -8.365 0.807
75 H ARG 13 H ARG 13 4.050 -7.890 2.946
76 HA ARG 13 HA ARG 13 1.623 -6.844 4.289
77 1HB ARG 13 2HB ARG 13 3.281 -8.752 5.018
78 2HB ARG 13 1HB ARG 13 4.281 -7.416 5.586
79 1HG ARG 13 2HG ARG 13 1.511 -7.051 6.387
80 2HG ARG 13 1HG ARG 13 2.135 -8.598 6.957
81 1HD ARG 13 2HD ARG 13 4.245 -6.888 7.492
82 2HD ARG 13 1HD ARG 13 2.827 -5.883 7.844
83 HE ARG 13 HE ARG 13 2.045 -7.636 9.389
84 1HH1 ARG 13 1HH2 ARG 13 4.075 -9.553 7.812
85 2HH1 ARG 13 2HH2 ARG 13 5.107 -9.975 9.135
86 1HH2 ARG 13 1HH1 ARG 13 3.872 -7.498 11.236
87 2HH2 ARG 13 2HH1 ARG 13 4.994 -8.808 11.079
88 H GLY 14 H GLY 14 3.398 -5.151 2.434
89 1HA GLY 14 2HA GLY 14 3.504 -2.723 2.648
90 2HA GLY 14 1HA GLY 14 3.827 -2.927 4.368
91 H LYS 15 H LYS 15 5.415 -4.804 1.802
92 HA LYS 15 HA LYS 15 8.041 -4.190 2.848
93 1HB LYS 15 2HB LYS 15 6.888 -6.100 1.208
94 2HB LYS 15 1HB LYS 15 7.886 -5.178 0.084
95 1HG LYS 15 2HG LYS 15 9.329 -6.865 0.932
96 2HG LYS 15 1HG LYS 15 9.769 -5.405 1.816
97 1HD LYS 15 2HD LYS 15 7.843 -6.339 3.459
98 2HD LYS 15 1HD LYS 15 8.409 -7.868 2.783
99 1HE LYS 15 2HE LYS 15 10.567 -7.612 3.664
100 2HE LYS 15 1HE LYS 15 10.412 -5.850 3.789
101 1HZ LYS 15 1HZ LYS 15 8.727 -6.134 5.485
102 2HZ LYS 15 2HZ LYS 15 10.149 -6.935 5.956
103 3HZ LYS 15 3HZ LYS 15 8.830 -7.822 5.356
104 HA PRO 16 HA PRO 16 8.455 -1.354 -0.964
105 1HB PRO 16 2HB PRO 16 6.272 -0.949 -2.561
106 2HB PRO 16 1HB PRO 16 7.414 -2.285 -2.816
107 1HG PRO 16 2HG PRO 16 4.712 -2.311 -1.591
108 2HG PRO 16 1HG PRO 16 5.521 -3.538 -2.577
109 1HD PRO 16 2HD PRO 16 5.268 -3.635 0.173
110 2HD PRO 16 1HD PRO 16 6.487 -4.520 -0.768
111 HA PRO 17 HA PRO 17 6.593 1.858 1.511
112 1HB PRO 17 2HB PRO 17 7.982 3.967 0.451
113 2HB PRO 17 1HB PRO 17 8.688 2.829 1.615
114 1HG PRO 17 2HG PRO 17 8.974 2.929 -1.347
115 2HG PRO 17 1HG PRO 17 10.191 2.577 -0.109
116 1HD PRO 17 2HD PRO 17 8.984 0.645 -1.588
117 2HD PRO 17 1HD PRO 17 9.563 0.376 0.070
118 H CYS 18 H CYS 18 4.538 2.541 1.032
119 HA CYS 18 HA CYS 18 3.724 3.174 -1.720
120 1HB CYS 18 2HB CYS 18 2.345 3.102 0.981
121 2HB CYS 18 1HB CYS 18 1.504 3.509 -0.514
122 H CYS 19 H CYS 19 2.131 5.263 -1.738
123 HA CYS 19 HA CYS 19 3.850 7.576 -1.292
124 1HB CYS 19 2HB CYS 19 1.457 6.844 -2.729
125 2HB CYS 19 1HB CYS 19 1.171 8.343 -1.848
126 H LYS 20 H LYS 20 3.067 9.501 -0.024
127 HA LYS 20 HA LYS 20 2.543 8.883 2.689
128 1HB LYS 20 2HB LYS 20 3.470 11.006 1.360
129 2HB LYS 20 1HB LYS 20 1.798 11.542 1.540
130 1HG LYS 20 2HG LYS 20 3.039 12.356 3.451
131 2HG LYS 20 1HG LYS 20 1.989 11.055 4.009
132 1HD LYS 20 2HD LYS 20 3.739 9.721 4.558
133 2HD LYS 20 1HD LYS 20 4.617 10.117 3.080
134 1HE LYS 20 2HE LYS 20 6.008 11.154 4.626
135 2HE LYS 20 1HE LYS 20 4.868 12.484 4.349
136 1HZ LYS 20 1HZ LYS 20 3.524 11.704 6.180
137 2HZ LYS 20 2HZ LYS 20 5.112 11.969 6.723
138 3HZ LYS 20 3HZ LYS 20 4.562 10.388 6.436
139 H GLY 21 H GLY 21 0.648 8.168 3.566
140 1HA GLY 21 2HA GLY 21 -1.692 8.547 4.128
141 2HA GLY 21 1HA GLY 21 -1.918 9.289 2.546
142 H TYR 22 H TYR 22 -0.040 6.590 2.026
143 HA TYR 22 HA TYR 22 -2.445 4.925 1.363
144 1HB TYR 22 2HB TYR 22 0.342 5.116 0.167
145 2HB TYR 22 1HB TYR 22 -0.884 3.969 -0.364
146 HD1 TYR 22 HD1 TYR 22 -0.323 7.644 0.141
147 HD2 TYR 22 HD2 TYR 22 -2.430 4.587 -2.015
148 HE1 TYR 22 HE1 TYR 22 -1.289 9.368 -1.352
149 HE2 TYR 22 HE2 TYR 22 -3.399 6.314 -3.509
150 HH TYR 22 HH TYR 22 -3.750 9.243 -2.952
151 H ALA 23 H ALA 23 -2.564 2.913 2.337
152 HA ALA 23 HA ALA 23 -0.151 1.954 3.852
153 1HB ALA 23 1HB ALA 23 -2.207 2.815 5.106
154 2HB ALA 23 2HB ALA 23 -1.680 1.188 5.533
155 3HB ALA 23 3HB ALA 23 -3.067 1.413 4.467
156 H CYS 24 H CYS 24 0.375 -0.254 3.656
157 HA CYS 24 HA CYS 24 -0.829 -1.685 1.360
158 1HB CYS 24 2HB CYS 24 1.668 -1.689 2.920
159 2HB CYS 24 1HB CYS 24 1.108 -3.306 2.497
160 H SER 25 H SER 25 -1.505 -3.966 1.618
161 HA SER 25 HA SER 25 -2.395 -4.673 4.383
162 1HB SER 25 2HB SER 25 -3.973 -4.375 1.839
163 2HB SER 25 1HB SER 25 -4.534 -5.460 3.108
164 HG SER 25 HG SER 25 -4.556 -2.734 2.988
165 H LYS 26 H LYS 26 -1.748 -6.721 4.871
166 HA LYS 26 HA LYS 26 -0.636 -8.492 2.833
167 1HB LYS 26 2HB LYS 26 0.298 -8.380 5.084
168 2HB LYS 26 1HB LYS 26 -1.266 -8.793 5.789
169 1HG LYS 26 2HG LYS 26 -1.047 -11.015 5.302
170 2HG LYS 26 1HG LYS 26 -0.244 -10.702 3.764
171 1HD LYS 26 2HD LYS 26 1.741 -11.144 4.717
172 2HD LYS 26 1HD LYS 26 1.497 -9.802 5.833
173 1HE LYS 26 2HE LYS 26 0.302 -11.261 7.397
174 2HE LYS 26 1HE LYS 26 0.426 -12.615 6.257
175 1HZ LYS 26 1HZ LYS 26 2.225 -12.677 7.882
176 2HZ LYS 26 2HZ LYS 26 2.718 -11.119 7.419
177 3HZ LYS 26 3HZ LYS 26 2.833 -12.411 6.321
178 H THR 27 H THR 27 -3.582 -8.387 4.822
179 HA THR 27 HA THR 27 -4.708 -10.889 3.961
180 HB THR 27 HB THR 27 -6.182 -8.371 4.810
181 HG1 THR 27 HG1 THR 27 -5.206 -8.559 6.647
182 1HG2 THR 27 1HG2 THR 27 -6.736 -11.336 4.953
183 2HG2 THR 27 2HG2 THR 27 -7.719 -10.073 4.210
184 3HG2 THR 27 3HG2 THR 27 -7.595 -10.174 5.966
185 H TRP 28 H TRP 28 -4.944 -7.570 2.713
186 HA TRP 28 HA TRP 28 -6.829 -8.298 0.578
187 1HB TRP 28 2HB TRP 28 -5.155 -5.821 1.141
188 2HB TRP 28 1HB TRP 28 -6.427 -5.914 -0.070
189 HD1 TRP 28 HD1 TRP 28 -7.691 -7.934 2.621
190 HE1 TRP 28 HE1 TRP 28 -9.236 -6.609 4.190
191 HE3 TRP 28 HE3 TRP 28 -6.528 -3.170 1.191
192 HZ2 TRP 28 HZ2 TRP 28 -9.912 -3.888 4.758
193 HZ3 TRP 28 HZ3 TRP 28 -7.640 -1.232 2.261
194 HH2 TRP 28 HH2 TRP 28 -9.330 -1.587 4.042
195 H GLY 29 H GLY 29 -3.378 -7.407 0.813
196 1HA GLY 29 2HA GLY 29 -1.651 -8.464 -0.503
197 2HA GLY 29 1HA GLY 29 -2.868 -8.908 -1.697
198 H TRP 30 H TRP 30 -3.087 -5.631 -0.561
199 HA TRP 30 HA TRP 30 -1.326 -4.616 -2.719
200 1HB TRP 30 2HB TRP 30 -3.101 -3.603 -3.967
201 2HB TRP 30 1HB TRP 30 -3.597 -5.264 -3.670
202 HD1 TRP 30 HD1 TRP 30 -4.114 -1.760 -2.097
203 HE1 TRP 30 HE1 TRP 30 -6.490 -1.669 -1.121
204 HE3 TRP 30 HE3 TRP 30 -5.640 -6.543 -3.040
205 HZ2 TRP 30 HZ2 TRP 30 -8.751 -3.388 -0.787
206 HZ3 TRP 30 HZ3 TRP 30 -7.912 -7.286 -2.385
207 HH2 TRP 30 HH2 TRP 30 -9.466 -5.714 -1.262
208 H CYS 31 H CYS 31 -1.752 -2.067 -2.831
209 HA CYS 31 HA CYS 31 -1.844 -1.051 -0.006
210 1HB CYS 31 2HB CYS 31 0.386 -1.212 -1.310
211 2HB CYS 31 1HB CYS 31 -0.242 0.108 -2.294
212 H ALA 32 H ALA 32 -3.368 0.501 0.331
213 HA ALA 32 HA ALA 32 -4.162 2.322 -1.878
214 1HB ALA 32 1HB ALA 32 -5.668 0.432 -2.103
215 2HB ALA 32 2HB ALA 32 -6.577 1.759 -1.380
216 3HB ALA 32 3HB ALA 32 -5.997 0.433 -0.371
217 H VAL 33 H VAL 33 -5.574 4.126 -1.004
218 HA VAL 33 HA VAL 33 -4.476 5.258 1.397
219 HB VAL 33 HB VAL 33 -7.020 5.889 -0.147
220 1HG1 VAL 33 1HG1 VAL 33 -7.343 7.238 1.673
221 2HG1 VAL 33 2HG1 VAL 33 -6.150 8.256 0.865
222 3HG1 VAL 33 3HG1 VAL 33 -5.649 7.164 2.156
223 1HG2 VAL 33 1HG2 VAL 33 -5.680 6.753 -1.739
224 2HG2 VAL 33 2HG2 VAL 33 -4.296 6.063 -0.895
225 3HG2 VAL 33 3HG2 VAL 33 -4.812 7.710 -0.539
226 H GLU 34 H GLU 34 -5.375 5.420 3.495
227 HA GLU 34 HA GLU 34 -7.153 3.253 4.318
228 1HB GLU 34 2HB GLU 34 -5.546 5.449 5.548
229 2HB GLU 34 1HB GLU 34 -6.870 4.794 6.512
230 1HG GLU 34 2HG GLU 34 -5.540 2.572 5.354
231 2HG GLU 34 1HG GLU 34 -4.284 3.636 5.990
232 H ALA 35 H ALA 35 -9.091 3.863 3.059
233 HA ALA 35 HA ALA 35 -10.446 6.381 3.356
234 1HB ALA 35 1HB ALA 35 -10.970 3.663 2.284
235 2HB ALA 35 2HB ALA 35 -11.245 5.238 1.539
236 3HB ALA 35 3HB ALA 35 -12.403 4.599 2.705
237 HA PRO 36 HA PRO 36 -13.162 4.249 6.668
238 1HB PRO 36 2HB PRO 36 -12.438 1.769 7.576
239 2HB PRO 36 1HB PRO 36 -13.522 2.014 6.192
240 1HG PRO 36 2HG PRO 36 -10.623 1.344 6.228
241 2HG PRO 36 1HG PRO 36 -11.905 0.756 5.158
242 1HD PRO 36 2HD PRO 36 -10.110 2.674 4.438
243 2HD PRO 36 1HD PRO 36 -11.750 2.563 3.763
Start of MODEL 15
1 1H ASP 1 1H ASP 1 15.110 5.284 3.279
2 2H ASP 1 2H ASP 1 14.044 6.370 4.039
3 3H ASP 1 3H ASP 1 14.944 6.865 2.684
4 HA ASP 1 HA ASP 1 13.732 5.352 1.254
5 1HB ASP 1 2HB ASP 1 12.998 4.381 3.950
6 2HB ASP 1 1HB ASP 1 11.674 4.378 2.785
7 H GLY 2 H GLY 2 12.067 6.357 0.146
8 1HA GLY 2 2HA GLY 2 9.895 7.772 1.371
9 2HA GLY 2 1HA GLY 2 11.140 8.922 0.885
10 H GLU 3 H GLU 3 9.378 6.107 -0.460
11 HA GLU 3 HA GLU 3 9.256 7.583 -3.072
12 1HB GLU 3 2HB GLU 3 10.415 5.072 -2.351
13 2HB GLU 3 1HB GLU 3 9.029 4.743 -3.390
14 1HG GLU 3 2HG GLU 3 10.172 6.867 -4.686
15 2HG GLU 3 1HG GLU 3 11.595 6.051 -4.037
16 H CYS 4 H CYS 4 7.400 6.575 -4.474
17 HA CYS 4 HA CYS 4 5.050 5.859 -2.762
18 1HB CYS 4 2HB CYS 4 4.579 8.090 -3.071
19 2HB CYS 4 1HB CYS 4 5.537 8.195 -4.544
20 H GLY 5 H GLY 5 3.364 4.756 -3.938
21 1HA GLY 5 2HA GLY 5 4.311 3.459 -6.457
22 2HA GLY 5 1HA GLY 5 3.245 2.678 -5.285
23 H GLY 6 H GLY 6 1.048 3.075 -5.391
24 1HA GLY 6 2HA GLY 6 0.039 5.274 -7.088
25 2HA GLY 6 1HA GLY 6 -0.384 3.638 -7.590
26 H PHE 7 H PHE 7 -2.645 4.127 -7.169
27 HA PHE 7 HA PHE 7 -3.433 4.697 -4.369
28 1HB PHE 7 2HB PHE 7 -5.124 4.200 -6.839
29 2HB PHE 7 1HB PHE 7 -5.641 4.984 -5.348
30 HD1 PHE 7 HD1 PHE 7 -3.140 6.636 -4.835
31 HD2 PHE 7 HD2 PHE 7 -5.443 5.982 -8.402
32 HE1 PHE 7 HE1 PHE 7 -2.375 8.817 -5.727
33 HE2 PHE 7 HE2 PHE 7 -4.676 8.165 -9.294
34 HZ PHE 7 HZ PHE 7 -3.141 9.581 -7.957
35 H TRP 8 H TRP 8 -3.400 2.013 -6.651
36 HA TRP 8 HA TRP 8 -4.189 0.186 -4.426
37 1HB TRP 8 2HB TRP 8 -6.041 1.029 -6.155
38 2HB TRP 8 1HB TRP 8 -5.328 -0.217 -7.176
39 HD1 TRP 8 HD1 TRP 8 -4.840 -2.596 -5.443
40 HE1 TRP 8 HE1 TRP 8 -6.706 -3.804 -4.138
41 HE3 TRP 8 HE3 TRP 8 -8.321 1.135 -5.219
42 HZ2 TRP 8 HZ2 TRP 8 -9.327 -3.259 -3.128
43 HZ3 TRP 8 HZ3 TRP 8 -10.491 0.763 -4.082
44 HH2 TRP 8 HH2 TRP 8 -10.998 -1.428 -3.038
45 H TRP 9 H TRP 9 -1.670 0.080 -4.798
46 HA TRP 9 HA TRP 9 -0.933 -1.632 -7.140
47 1HB TRP 9 2HB TRP 9 0.528 0.053 -5.101
48 2HB TRP 9 1HB TRP 9 1.403 -1.111 -6.094
49 HD1 TRP 9 HD1 TRP 9 -1.586 0.712 -7.577
50 HE1 TRP 9 HE1 TRP 9 -0.763 2.339 -9.393
51 HE3 TRP 9 HE3 TRP 9 3.463 0.381 -6.849
52 HZ2 TRP 9 HZ2 TRP 9 1.694 3.376 -10.392
53 HZ3 TRP 9 HZ3 TRP 9 5.019 1.704 -8.255
54 HH2 TRP 9 HH2 TRP 9 4.140 3.198 -10.027
55 H LYS 10 H LYS 10 0.213 -3.677 -6.752
56 HA LYS 10 HA LYS 10 -0.697 -5.021 -4.282
57 1HB LYS 10 2HB LYS 10 0.323 -5.741 -6.970
58 2HB LYS 10 1HB LYS 10 0.702 -6.878 -5.676
59 1HG LYS 10 2HG LYS 10 -1.431 -7.606 -5.568
60 2HG LYS 10 1HG LYS 10 -2.058 -5.958 -5.511
61 1HD LYS 10 2HD LYS 10 -2.874 -6.392 -7.582
62 2HD LYS 10 1HD LYS 10 -1.213 -6.168 -8.128
63 1HE LYS 10 2HE LYS 10 -1.723 -8.290 -9.007
64 2HE LYS 10 1HE LYS 10 -0.968 -8.722 -7.462
65 1HZ LYS 10 1HZ LYS 10 -3.577 -8.182 -6.820
66 2HZ LYS 10 2HZ LYS 10 -2.886 -9.726 -6.971
67 3HZ LYS 10 3HZ LYS 10 -3.695 -9.025 -8.289
68 H CYS 11 H CYS 11 0.604 -5.561 -2.585
69 HA CYS 11 HA CYS 11 3.542 -5.598 -2.916
70 1HB CYS 11 2HB CYS 11 3.836 -3.938 -1.119
71 2HB CYS 11 1HB CYS 11 2.881 -3.247 -2.426
72 H GLY 12 H GLY 12 4.521 -6.135 -0.595
73 1HA GLY 12 2HA GLY 12 3.122 -8.523 0.369
74 2HA GLY 12 1HA GLY 12 4.698 -7.949 0.921
75 H ARG 13 H ARG 13 4.670 -7.299 3.016
76 HA ARG 13 HA ARG 13 2.120 -6.533 4.295
77 1HB ARG 13 2HB ARG 13 4.128 -8.026 5.162
78 2HB ARG 13 1HB ARG 13 4.816 -6.467 5.617
79 1HG ARG 13 2HG ARG 13 1.977 -6.823 6.352
80 2HG ARG 13 1HG ARG 13 3.096 -7.895 7.191
81 1HD ARG 13 2HD ARG 13 4.509 -5.769 7.642
82 2HD ARG 13 1HD ARG 13 3.045 -4.872 7.190
83 HE ARG 13 HE ARG 13 1.853 -6.232 8.970
84 1HH1 ARG 13 1HH2 ARG 13 4.405 -7.965 9.359
85 2HH1 ARG 13 2HH2 ARG 13 4.960 -7.353 10.881
86 1HH2 ARG 13 1HH1 ARG 13 2.939 -4.531 10.789
87 2HH2 ARG 13 2HH1 ARG 13 4.129 -5.409 11.692
88 H GLY 14 H GLY 14 5.235 -5.093 3.446
89 1HA GLY 14 2HA GLY 14 4.145 -2.456 3.142
90 2HA GLY 14 1HA GLY 14 4.988 -2.575 4.688
91 H LYS 15 H LYS 15 5.869 -4.264 1.678
92 HA LYS 15 HA LYS 15 8.637 -3.427 1.939
93 1HB LYS 15 2HB LYS 15 6.966 -5.099 0.152
94 2HB LYS 15 1HB LYS 15 8.454 -4.471 -0.557
95 1HG LYS 15 2HG LYS 15 9.792 -5.736 0.796
96 2HG LYS 15 1HG LYS 15 8.710 -5.582 2.180
97 1HD LYS 15 2HD LYS 15 8.540 -7.862 1.569
98 2HD LYS 15 1HD LYS 15 7.107 -7.120 0.860
99 1HE LYS 15 2HE LYS 15 9.515 -7.080 -0.875
100 2HE LYS 15 1HE LYS 15 8.832 -8.686 -0.562
101 1HZ LYS 15 1HZ LYS 15 7.626 -7.810 -2.379
102 2HZ LYS 15 2HZ LYS 15 7.437 -6.296 -1.635
103 3HZ LYS 15 3HZ LYS 15 6.602 -7.650 -1.038
104 HA PRO 16 HA PRO 16 8.009 -0.621 -1.823
105 1HB PRO 16 2HB PRO 16 5.636 -0.648 -3.181
106 2HB PRO 16 1HB PRO 16 6.968 -1.763 -3.548
107 1HG PRO 16 2HG PRO 16 4.475 -2.233 -2.005
108 2HG PRO 16 1HG PRO 16 5.342 -3.313 -3.109
109 1HD PRO 16 2HD PRO 16 5.477 -3.483 -0.373
110 2HD PRO 16 1HD PRO 16 6.750 -4.056 -1.472
111 HA PRO 17 HA PRO 17 5.822 2.187 0.884
112 1HB PRO 17 2HB PRO 17 7.034 4.478 0.016
113 2HB PRO 17 1HB PRO 17 7.818 3.325 1.112
114 1HG PRO 17 2HG PRO 17 8.186 3.708 -1.811
115 2HG PRO 17 1HG PRO 17 9.378 3.309 -0.566
116 1HD PRO 17 2HD PRO 17 8.296 1.479 -2.297
117 2HD PRO 17 1HD PRO 17 8.956 1.071 -0.698
118 H CYS 18 H CYS 18 3.680 2.286 0.121
119 HA CYS 18 HA CYS 18 2.882 3.230 -2.485
120 1HB CYS 18 2HB CYS 18 1.689 1.916 -0.442
121 2HB CYS 18 1HB CYS 18 1.109 3.541 -0.090
122 H CYS 19 H CYS 19 1.638 5.360 -2.788
123 HA CYS 19 HA CYS 19 3.168 7.633 -2.141
124 1HB CYS 19 2HB CYS 19 0.630 6.979 -3.350
125 2HB CYS 19 1HB CYS 19 0.461 8.437 -2.371
126 H LYS 20 H LYS 20 2.962 9.273 -0.523
127 HA LYS 20 HA LYS 20 2.500 8.530 2.126
128 1HB LYS 20 2HB LYS 20 2.650 11.063 0.569
129 2HB LYS 20 1HB LYS 20 1.983 11.188 2.199
130 1HG LYS 20 2HG LYS 20 4.030 9.802 2.943
131 2HG LYS 20 1HG LYS 20 4.712 10.198 1.366
132 1HD LYS 20 2HD LYS 20 4.898 12.456 1.856
133 2HD LYS 20 1HD LYS 20 3.573 12.420 3.020
134 1HE LYS 20 2HE LYS 20 5.988 10.790 3.692
135 2HE LYS 20 1HE LYS 20 6.137 12.553 3.822
136 1HZ LYS 20 1HZ LYS 20 5.244 11.530 5.865
137 2HZ LYS 20 2HZ LYS 20 3.911 10.958 4.982
138 3HZ LYS 20 3HZ LYS 20 4.160 12.630 5.163
139 H GLY 21 H GLY 21 0.646 7.890 3.116
140 1HA GLY 21 2HA GLY 21 -1.635 8.583 3.867
141 2HA GLY 21 1HA GLY 21 -1.944 9.083 2.202
142 H TYR 22 H TYR 22 -0.440 6.641 1.210
143 HA TYR 22 HA TYR 22 -2.709 4.724 1.444
144 1HB TYR 22 2HB TYR 22 -0.347 5.009 -0.447
145 2HB TYR 22 1HB TYR 22 -1.549 3.728 -0.565
146 HD1 TYR 22 HD1 TYR 22 -1.278 7.473 -0.420
147 HD2 TYR 22 HD2 TYR 22 -3.480 4.068 -1.832
148 HE1 TYR 22 HE1 TYR 22 -2.767 8.973 -1.712
149 HE2 TYR 22 HE2 TYR 22 -4.971 5.569 -3.125
150 HH TYR 22 HH TYR 22 -4.248 8.815 -3.720
151 H ALA 23 H ALA 23 -2.405 2.802 2.547
152 HA ALA 23 HA ALA 23 0.378 2.161 3.478
153 1HB ALA 23 1HB ALA 23 -2.154 1.160 4.757
154 2HB ALA 23 2HB ALA 23 -1.643 2.825 5.033
155 3HB ALA 23 3HB ALA 23 -0.590 1.491 5.503
156 H CYS 24 H CYS 24 0.960 -0.113 3.514
157 HA CYS 24 HA CYS 24 -0.327 -1.675 1.352
158 1HB CYS 24 2HB CYS 24 2.251 -1.552 2.791
159 2HB CYS 24 1HB CYS 24 1.721 -3.193 2.427
160 H SER 25 H SER 25 -1.200 -3.797 1.720
161 HA SER 25 HA SER 25 -1.838 -4.416 4.584
162 1HB SER 25 2HB SER 25 -3.489 -4.237 2.096
163 2HB SER 25 1HB SER 25 -3.961 -5.401 3.329
164 HG SER 25 HG SER 25 -4.753 -3.777 4.379
165 H LYS 26 H LYS 26 -1.271 -6.461 5.210
166 HA LYS 26 HA LYS 26 -0.012 -8.308 3.336
167 1HB LYS 26 2HB LYS 26 0.469 -7.876 5.838
168 2HB LYS 26 1HB LYS 26 -0.949 -8.873 6.159
169 1HG LYS 26 2HG LYS 26 0.364 -10.451 4.372
170 2HG LYS 26 1HG LYS 26 1.726 -9.659 5.164
171 1HD LYS 26 2HD LYS 26 1.486 -11.243 6.768
172 2HD LYS 26 1HD LYS 26 0.100 -10.293 7.300
173 1HE LYS 26 2HE LYS 26 -1.216 -11.663 5.484
174 2HE LYS 26 1HE LYS 26 0.137 -12.803 5.632
175 1HZ LYS 26 1HZ LYS 26 -1.551 -13.335 7.258
176 2HZ LYS 26 2HZ LYS 26 -1.522 -11.748 7.865
177 3HZ LYS 26 3HZ LYS 26 -0.168 -12.758 8.052
178 H THR 27 H THR 27 -3.077 -8.209 5.135
179 HA THR 27 HA THR 27 -4.106 -10.744 4.211
180 HB THR 27 HB THR 27 -5.622 -8.267 5.105
181 HG1 THR 27 HG1 THR 27 -4.863 -8.609 7.025
182 1HG2 THR 27 1HG2 THR 27 -7.213 -9.946 5.999
183 2HG2 THR 27 2HG2 THR 27 -6.218 -11.234 5.317
184 3HG2 THR 27 3HG2 THR 27 -7.030 -10.087 4.251
185 H TRP 28 H TRP 28 -4.387 -7.402 3.028
186 HA TRP 28 HA TRP 28 -6.242 -8.092 0.867
187 1HB TRP 28 2HB TRP 28 -4.526 -5.644 1.420
188 2HB TRP 28 1HB TRP 28 -5.819 -5.719 0.233
189 HD1 TRP 28 HD1 TRP 28 -7.031 -7.693 3.007
190 HE1 TRP 28 HE1 TRP 28 -8.540 -6.318 4.573
191 HE3 TRP 28 HE3 TRP 28 -5.907 -2.970 1.406
192 HZ2 TRP 28 HZ2 TRP 28 -9.200 -3.584 5.077
193 HZ3 TRP 28 HZ3 TRP 28 -6.995 -1.002 2.447
194 HH2 TRP 28 HH2 TRP 28 -8.639 -1.303 4.279
195 H GLY 29 H GLY 29 -2.782 -7.226 1.110
196 1HA GLY 29 2HA GLY 29 -1.039 -8.237 -0.204
197 2HA GLY 29 1HA GLY 29 -2.254 -8.773 -1.362
198 H TRP 30 H TRP 30 -2.535 -5.463 -0.327
199 HA TRP 30 HA TRP 30 -0.883 -4.471 -2.574
200 1HB TRP 30 2HB TRP 30 -2.738 -3.562 -3.792
201 2HB TRP 30 1HB TRP 30 -3.175 -5.222 -3.410
202 HD1 TRP 30 HD1 TRP 30 -3.686 -1.689 -1.909
203 HE1 TRP 30 HE1 TRP 30 -6.021 -1.609 -0.843
204 HE3 TRP 30 HE3 TRP 30 -5.181 -6.503 -2.703
205 HZ2 TRP 30 HZ2 TRP 30 -8.248 -3.347 -0.394
206 HZ3 TRP 30 HZ3 TRP 30 -7.417 -7.263 -1.952
207 HH2 TRP 30 HH2 TRP 30 -8.950 -5.692 -0.798
208 H CYS 31 H CYS 31 -1.292 -1.928 -2.714
209 HA CYS 31 HA CYS 31 -1.419 -0.883 0.085
210 1HB CYS 31 2HB CYS 31 0.451 0.459 -0.371
211 2HB CYS 31 1HB CYS 31 0.827 -1.016 -1.249
212 H ALA 32 H ALA 32 -3.018 0.484 0.418
213 HA ALA 32 HA ALA 32 -3.904 2.399 -1.680
214 1HB ALA 32 1HB ALA 32 -5.142 0.146 -1.822
215 2HB ALA 32 2HB ALA 32 -6.155 1.581 -1.666
216 3HB ALA 32 3HB ALA 32 -5.852 0.559 -0.261
217 H VAL 33 H VAL 33 -5.863 3.732 -0.518
218 HA VAL 33 HA VAL 33 -4.733 4.893 1.888
219 HB VAL 33 HB VAL 33 -7.441 5.158 0.530
220 1HG1 VAL 33 1HG1 VAL 33 -6.150 6.997 2.568
221 2HG1 VAL 33 2HG1 VAL 33 -7.431 5.849 2.951
222 3HG1 VAL 33 3HG1 VAL 33 -7.745 7.181 1.839
223 1HG2 VAL 33 1HG2 VAL 33 -4.754 6.403 0.186
224 2HG2 VAL 33 2HG2 VAL 33 -6.147 7.479 0.067
225 3HG2 VAL 33 3HG2 VAL 33 -6.012 6.092 -1.012
226 H GLU 34 H GLU 34 -4.843 3.912 3.866
227 HA GLU 34 HA GLU 34 -6.570 1.702 4.493
228 1HB GLU 34 2HB GLU 34 -5.636 2.003 6.750
229 2HB GLU 34 1HB GLU 34 -4.372 2.195 5.538
230 1HG GLU 34 2HG GLU 34 -5.541 4.762 5.931
231 2HG GLU 34 1HG GLU 34 -5.232 4.080 7.528
232 H ALA 35 H ALA 35 -8.394 1.633 5.916
233 HA ALA 35 HA ALA 35 -10.508 2.373 6.656
234 1HB ALA 35 1HB ALA 35 -8.907 3.259 8.345
235 2HB ALA 35 2HB ALA 35 -10.318 4.303 8.164
236 3HB ALA 35 3HB ALA 35 -8.786 4.755 7.418
237 HA PRO 36 HA PRO 36 -10.897 5.228 2.946
238 1HB PRO 36 2HB PRO 36 -12.380 3.540 1.383
239 2HB PRO 36 1HB PRO 36 -10.606 3.573 1.362
240 1HG PRO 36 2HG PRO 36 -12.447 1.669 2.714
241 2HG PRO 36 1HG PRO 36 -10.904 1.366 1.904
242 1HD PRO 36 2HD PRO 36 -11.190 1.503 4.617
243 2HD PRO 36 1HD PRO 36 -9.678 1.879 3.761
Start of MODEL 16
1 1H ASP 1 1H ASP 1 11.532 11.649 -0.523
2 2H ASP 1 2H ASP 1 12.540 11.987 -1.848
3 3H ASP 1 3H ASP 1 12.406 10.399 -1.263
4 HA ASP 1 HA ASP 1 9.975 10.481 -1.859
5 1HB ASP 1 2HB ASP 1 11.056 13.125 -2.788
6 2HB ASP 1 1HB ASP 1 9.747 12.382 -3.704
7 H GLY 2 H GLY 2 9.384 9.692 -4.048
8 1HA GLY 2 2HA GLY 2 10.116 9.223 -6.378
9 2HA GLY 2 1HA GLY 2 11.763 9.080 -5.762
10 H GLU 3 H GLU 3 11.241 7.505 -3.460
11 HA GLU 3 HA GLU 3 10.795 4.875 -4.744
12 1HB GLU 3 2HB GLU 3 11.720 4.058 -2.580
13 2HB GLU 3 1HB GLU 3 12.755 5.282 -3.310
14 1HG GLU 3 2HG GLU 3 12.374 6.783 -1.638
15 2HG GLU 3 1HG GLU 3 10.669 6.355 -1.508
16 H CYS 4 H CYS 4 8.364 6.062 -4.763
17 HA CYS 4 HA CYS 4 6.908 4.874 -2.423
18 1HB CYS 4 2HB CYS 4 5.882 6.876 -2.158
19 2HB CYS 4 1HB CYS 4 7.090 7.528 -3.257
20 H GLY 5 H GLY 5 4.808 3.919 -2.949
21 1HA GLY 5 2HA GLY 5 4.797 2.590 -5.546
22 2HA GLY 5 1HA GLY 5 3.633 2.335 -4.248
23 H GLY 6 H GLY 6 1.614 2.958 -4.801
24 1HA GLY 6 2HA GLY 6 1.196 5.551 -6.142
25 2HA GLY 6 1HA GLY 6 0.655 4.134 -7.038
26 H PHE 7 H PHE 7 -1.582 4.478 -6.879
27 HA PHE 7 HA PHE 7 -2.809 4.984 -4.233
28 1HB PHE 7 2HB PHE 7 -3.692 6.231 -6.069
29 2HB PHE 7 1HB PHE 7 -3.779 4.801 -7.094
30 HD1 PHE 7 HD1 PHE 7 -5.171 6.269 -3.941
31 HD2 PHE 7 HD2 PHE 7 -5.748 3.512 -7.186
32 HE1 PHE 7 HE1 PHE 7 -7.492 5.848 -3.172
33 HE2 PHE 7 HE2 PHE 7 -8.068 3.093 -6.417
34 HZ PHE 7 HZ PHE 7 -8.940 4.261 -4.411
35 H TRP 8 H TRP 8 -2.698 2.400 -6.676
36 HA TRP 8 HA TRP 8 -3.702 0.500 -4.596
37 1HB TRP 8 2HB TRP 8 -5.515 1.363 -6.151
38 2HB TRP 8 1HB TRP 8 -4.644 0.603 -7.480
39 HD1 TRP 8 HD1 TRP 8 -4.028 -1.691 -4.818
40 HE1 TRP 8 HE1 TRP 8 -5.739 -3.615 -4.755
41 HE3 TRP 8 HE3 TRP 8 -7.682 0.275 -7.799
42 HZ2 TRP 8 HZ2 TRP 8 -8.316 -4.238 -5.819
43 HZ3 TRP 8 HZ3 TRP 8 -9.753 -1.006 -8.255
44 HH2 TRP 8 HH2 TRP 8 -10.074 -3.258 -7.269
45 H TRP 9 H TRP 9 -1.253 0.152 -4.656
46 HA TRP 9 HA TRP 9 -0.334 -1.421 -7.029
47 1HB TRP 9 2HB TRP 9 0.989 0.011 -4.712
48 2HB TRP 9 1HB TRP 9 1.896 -1.098 -5.739
49 HD1 TRP 9 HD1 TRP 9 -0.860 1.171 -7.127
50 HE1 TRP 9 HE1 TRP 9 0.193 2.860 -8.753
51 HE3 TRP 9 HE3 TRP 9 4.092 0.155 -6.377
52 HZ2 TRP 9 HZ2 TRP 9 2.777 3.684 -9.619
53 HZ3 TRP 9 HZ3 TRP 9 5.822 1.419 -7.620
54 HH2 TRP 9 HH2 TRP 9 5.174 3.176 -9.241
55 H LYS 10 H LYS 10 0.663 -3.549 -6.634
56 HA LYS 10 HA LYS 10 -0.648 -4.984 -4.404
57 1HB LYS 10 2HB LYS 10 0.665 -5.603 -6.991
58 2HB LYS 10 1HB LYS 10 0.782 -6.848 -5.748
59 1HG LYS 10 2HG LYS 10 -1.249 -7.449 -6.653
60 2HG LYS 10 1HG LYS 10 -1.816 -6.272 -5.467
61 1HD LYS 10 2HD LYS 10 -2.213 -4.638 -7.068
62 2HD LYS 10 1HD LYS 10 -1.023 -5.300 -8.189
63 1HE LYS 10 2HE LYS 10 -2.763 -7.384 -8.098
64 2HE LYS 10 1HE LYS 10 -3.881 -6.032 -7.829
65 1HZ LYS 10 1HZ LYS 10 -3.575 -6.337 -10.184
66 2HZ LYS 10 2HZ LYS 10 -1.886 -6.270 -10.022
67 3HZ LYS 10 3HZ LYS 10 -2.827 -4.888 -9.723
68 H CYS 11 H CYS 11 0.384 -5.671 -2.584
69 HA CYS 11 HA CYS 11 3.311 -6.013 -2.570
70 1HB CYS 11 2HB CYS 11 3.610 -4.421 -0.738
71 2HB CYS 11 1HB CYS 11 2.824 -3.606 -2.086
72 H GLY 12 H GLY 12 3.962 -6.780 -0.215
73 1HA GLY 12 2HA GLY 12 1.960 -8.821 0.605
74 2HA GLY 12 1HA GLY 12 3.675 -8.840 1.020
75 H ARG 13 H ARG 13 4.133 -8.262 3.081
76 HA ARG 13 HA ARG 13 2.057 -6.941 4.737
77 1HB ARG 13 2HB ARG 13 3.330 -8.995 5.429
78 2HB ARG 13 1HB ARG 13 4.813 -8.046 5.404
79 1HG ARG 13 2HG ARG 13 3.822 -8.284 7.695
80 2HG ARG 13 1HG ARG 13 3.989 -6.608 7.181
81 1HD ARG 13 2HD ARG 13 1.585 -6.604 6.495
82 2HD ARG 13 1HD ARG 13 1.436 -8.258 7.120
83 HE ARG 13 HE ARG 13 2.596 -6.841 9.214
84 1HH1 ARG 13 1HH1 ARG 13 0.896 -4.624 7.868
85 2HH1 ARG 13 2HH1 ARG 13 -0.541 -4.709 8.832
86 1HH2 ARG 13 1HH2 ARG 13 0.256 -7.796 10.217
87 2HH2 ARG 13 2HH2 ARG 13 -0.904 -6.510 10.166
88 H GLY 14 H GLY 14 3.327 -5.304 2.672
89 1HA GLY 14 2HA GLY 14 3.899 -2.980 2.738
90 2HA GLY 14 1HA GLY 14 4.435 -3.182 4.405
91 H LYS 15 H LYS 15 5.415 -5.259 1.697
92 HA LYS 15 HA LYS 15 8.212 -5.046 2.343
93 1HB LYS 15 2HB LYS 15 6.474 -6.515 0.601
94 2HB LYS 15 1HB LYS 15 7.809 -5.885 -0.362
95 1HG LYS 15 2HG LYS 15 8.355 -8.101 0.582
96 2HG LYS 15 1HG LYS 15 9.426 -6.853 1.220
97 1HD LYS 15 2HD LYS 15 8.670 -7.138 3.335
98 2HD LYS 15 1HD LYS 15 6.987 -7.188 2.813
99 1HE LYS 15 2HE LYS 15 8.291 -9.579 1.886
100 2HE LYS 15 1HE LYS 15 8.601 -9.388 3.622
101 1HZ LYS 15 1HZ LYS 15 6.474 -10.472 3.269
102 2HZ LYS 15 2HZ LYS 15 5.949 -9.186 2.291
103 3HZ LYS 15 3HZ LYS 15 6.235 -8.936 3.947
104 HA PRO 16 HA PRO 16 8.594 -2.160 -1.434
105 1HB PRO 16 2HB PRO 16 6.333 -1.468 -2.811
106 2HB PRO 16 1HB PRO 16 7.290 -2.914 -3.193
107 1HG PRO 16 2HG PRO 16 4.736 -2.675 -1.697
108 2HG PRO 16 1HG PRO 16 5.287 -3.946 -2.800
109 1HD PRO 16 2HD PRO 16 5.307 -4.157 -0.060
110 2HD PRO 16 1HD PRO 16 6.362 -5.086 -1.146
111 HA PRO 17 HA PRO 17 7.434 1.269 1.135
112 1HB PRO 17 2HB PRO 17 8.771 3.237 -0.219
113 2HB PRO 17 1HB PRO 17 9.582 2.060 0.834
114 1HG PRO 17 2HG PRO 17 9.351 2.103 -2.135
115 2HG PRO 17 1HG PRO 17 10.725 1.646 -1.116
116 1HD PRO 17 2HD PRO 17 9.090 -0.164 -2.326
117 2HD PRO 17 1HD PRO 17 9.955 -0.487 -0.807
118 H CYS 18 H CYS 18 5.349 2.021 0.984
119 HA CYS 18 HA CYS 18 4.175 2.787 -1.609
120 1HB CYS 18 2HB CYS 18 3.191 2.692 1.259
121 2HB CYS 18 1HB CYS 18 2.170 3.167 -0.099
122 H CYS 19 H CYS 19 2.798 4.953 -1.477
123 HA CYS 19 HA CYS 19 4.707 7.124 -0.870
124 1HB CYS 19 2HB CYS 19 1.896 7.432 -1.926
125 2HB CYS 19 1HB CYS 19 3.313 8.417 -2.277
126 H LYS 20 H LYS 20 3.866 9.097 0.315
127 HA LYS 20 HA LYS 20 3.033 8.532 2.939
128 1HB LYS 20 2HB LYS 20 4.189 10.573 2.181
129 2HB LYS 20 1HB LYS 20 2.743 11.067 1.298
130 1HG LYS 20 2HG LYS 20 2.065 12.115 3.178
131 2HG LYS 20 1HG LYS 20 1.837 10.521 3.896
132 1HD LYS 20 2HD LYS 20 4.496 10.759 4.243
133 2HD LYS 20 1HD LYS 20 4.059 12.468 4.269
134 1HE LYS 20 2HE LYS 20 2.375 12.008 6.035
135 2HE LYS 20 1HE LYS 20 2.856 10.300 6.030
136 1HZ LYS 20 1HZ LYS 20 4.689 12.593 6.510
137 2HZ LYS 20 2HZ LYS 20 5.118 10.950 6.530
138 3HZ LYS 20 3HZ LYS 20 4.073 11.572 7.715
139 H GLY 21 H GLY 21 1.048 8.009 3.777
140 1HA GLY 21 2HA GLY 21 -1.324 8.418 4.079
141 2HA GLY 21 1HA GLY 21 -1.405 9.013 2.422
142 H TYR 22 H TYR 22 0.281 6.616 1.555
143 HA TYR 22 HA TYR 22 -2.007 4.741 1.263
144 1HB TYR 22 2HB TYR 22 0.732 4.851 -0.047
145 2HB TYR 22 1HB TYR 22 -0.604 3.815 -0.543
146 HD1 TYR 22 HD1 TYR 22 0.635 7.295 -0.396
147 HD2 TYR 22 HD2 TYR 22 -2.519 4.712 -1.742
148 HE1 TYR 22 HE1 TYR 22 -0.240 9.116 -1.828
149 HE2 TYR 22 HE2 TYR 22 -3.397 6.535 -3.175
150 HH TYR 22 HH TYR 22 -2.000 8.840 -4.275
151 H ALA 23 H ALA 23 -2.064 2.856 2.399
152 HA ALA 23 HA ALA 23 0.446 1.910 3.752
153 1HB ALA 23 1HB ALA 23 -2.362 1.296 4.656
154 2HB ALA 23 2HB ALA 23 -1.641 2.861 5.032
155 3HB ALA 23 3HB ALA 23 -0.885 1.380 5.617
156 H CYS 24 H CYS 24 0.795 -0.393 3.747
157 HA CYS 24 HA CYS 24 -0.476 -1.796 1.473
158 1HB CYS 24 2HB CYS 24 1.981 -1.946 3.097
159 2HB CYS 24 1HB CYS 24 1.322 -3.523 2.664
160 H SER 25 H SER 25 -1.364 -3.975 1.740
161 HA SER 25 HA SER 25 -2.354 -4.588 4.500
162 1HB SER 25 2HB SER 25 -3.789 -3.971 1.979
163 2HB SER 25 1HB SER 25 -4.428 -5.324 2.905
164 HG SER 25 HG SER 25 -5.222 -3.914 4.229
165 H LYS 26 H LYS 26 -1.470 -6.577 4.969
166 HA LYS 26 HA LYS 26 -0.649 -8.487 2.951
167 1HB LYS 26 2HB LYS 26 0.366 -8.259 5.199
168 2HB LYS 26 1HB LYS 26 -1.155 -8.768 5.934
169 1HG LYS 26 2HG LYS 26 -0.890 -10.967 5.298
170 2HG LYS 26 1HG LYS 26 0.021 -10.549 3.846
171 1HD LYS 26 2HD LYS 26 2.009 -10.641 4.927
172 2HD LYS 26 1HD LYS 26 1.381 -9.797 6.341
173 1HE LYS 26 2HE LYS 26 0.599 -11.781 7.341
174 2HE LYS 26 1HE LYS 26 0.588 -12.661 5.799
175 1HZ LYS 26 1HZ LYS 26 3.046 -11.573 7.066
176 2HZ LYS 26 2HZ LYS 26 2.955 -12.582 5.702
177 3HZ LYS 26 3HZ LYS 26 2.536 -13.181 7.234
178 H THR 27 H THR 27 -3.514 -8.120 5.013
179 HA THR 27 HA THR 27 -4.780 -10.630 4.493
180 HB THR 27 HB THR 27 -6.154 -7.955 4.888
181 HG1 THR 27 HG1 THR 27 -4.778 -9.586 6.758
182 1HG2 THR 27 1HG2 THR 27 -7.252 -10.400 4.604
183 2HG2 THR 27 2HG2 THR 27 -7.943 -9.163 5.652
184 3HG2 THR 27 3HG2 THR 27 -6.928 -10.432 6.337
185 H TRP 28 H TRP 28 -4.952 -7.508 2.799
186 HA TRP 28 HA TRP 28 -6.767 -8.571 0.731
187 1HB TRP 28 2HB TRP 28 -5.281 -5.930 1.004
188 2HB TRP 28 1HB TRP 28 -6.604 -6.253 -0.110
189 HD1 TRP 28 HD1 TRP 28 -7.960 -8.075 2.482
190 HE1 TRP 28 HE1 TRP 28 -9.369 -6.701 4.142
191 HE3 TRP 28 HE3 TRP 28 -6.306 -3.371 1.369
192 HZ2 TRP 28 HZ2 TRP 28 -9.756 -3.972 4.894
193 HZ3 TRP 28 HZ3 TRP 28 -7.215 -1.405 2.571
194 HH2 TRP 28 HH2 TRP 28 -8.937 -1.701 4.331
195 H GLY 29 H GLY 29 -3.489 -7.102 0.720
196 1HA GLY 29 2HA GLY 29 -1.664 -8.421 -0.375
197 2HA GLY 29 1HA GLY 29 -2.832 -8.847 -1.620
198 H TRP 30 H TRP 30 -2.892 -5.539 -0.441
199 HA TRP 30 HA TRP 30 -1.103 -4.630 -2.617
200 1HB TRP 30 2HB TRP 30 -2.847 -3.421 -3.780
201 2HB TRP 30 1HB TRP 30 -3.372 -5.090 -3.596
202 HD1 TRP 30 HD1 TRP 30 -3.774 -1.733 -1.701
203 HE1 TRP 30 HE1 TRP 30 -6.153 -1.648 -0.736
204 HE3 TRP 30 HE3 TRP 30 -5.473 -6.322 -3.152
205 HZ2 TRP 30 HZ2 TRP 30 -8.482 -3.301 -0.600
206 HZ3 TRP 30 HZ3 TRP 30 -7.780 -7.039 -2.596
207 HH2 TRP 30 HH2 TRP 30 -9.284 -5.533 -1.323
208 H CYS 31 H CYS 31 -1.499 -2.013 -2.709
209 HA CYS 31 HA CYS 31 -1.459 -1.030 0.123
210 1HB CYS 31 2HB CYS 31 0.772 -1.367 -1.176
211 2HB CYS 31 1HB CYS 31 0.268 0.045 -2.106
212 H ALA 32 H ALA 32 -2.872 0.623 0.435
213 HA ALA 32 HA ALA 32 -3.446 2.541 -1.762
214 1HB ALA 32 1HB ALA 32 -5.889 2.123 -1.503
215 2HB ALA 32 2HB ALA 32 -5.528 0.822 -0.368
216 3HB ALA 32 3HB ALA 32 -5.035 0.682 -2.056
217 H VAL 33 H VAL 33 -5.046 4.282 -0.840
218 HA VAL 33 HA VAL 33 -3.916 5.540 1.443
219 HB VAL 33 HB VAL 33 -6.703 5.770 0.248
220 1HG1 VAL 33 1HG1 VAL 33 -6.689 6.884 2.379
221 2HG1 VAL 33 2HG1 VAL 33 -6.499 8.138 1.154
222 3HG1 VAL 33 3HG1 VAL 33 -5.100 7.582 2.070
223 1HG2 VAL 33 1HG2 VAL 33 -5.823 7.160 -1.366
224 2HG2 VAL 33 2HG2 VAL 33 -4.404 6.149 -1.101
225 3HG2 VAL 33 3HG2 VAL 33 -4.522 7.725 -0.320
226 H GLU 34 H GLU 34 -4.710 5.722 3.632
227 HA GLU 34 HA GLU 34 -5.919 3.271 4.687
228 1HB GLU 34 2HB GLU 34 -4.209 5.333 5.556
229 2HB GLU 34 1HB GLU 34 -5.660 5.493 6.549
230 1HG GLU 34 2HG GLU 34 -4.340 2.814 6.101
231 2HG GLU 34 1HG GLU 34 -3.829 3.891 7.400
232 H ALA 35 H ALA 35 -8.101 3.240 3.945
233 HA ALA 35 HA ALA 35 -9.936 5.058 5.393
234 1HB ALA 35 1HB ALA 35 -9.303 6.213 3.284
235 2HB ALA 35 2HB ALA 35 -11.013 5.782 3.299
236 3HB ALA 35 3HB ALA 35 -9.869 4.817 2.367
237 HA PRO 36 HA PRO 36 -12.321 1.339 5.403
238 1HB PRO 36 2HB PRO 36 -14.791 2.388 5.950
239 2HB PRO 36 1HB PRO 36 -13.508 2.248 7.167
240 1HG PRO 36 2HG PRO 36 -14.386 4.626 5.607
241 2HG PRO 36 1HG PRO 36 -13.869 4.511 7.296
242 1HD PRO 36 2HD PRO 36 -12.266 5.432 5.292
243 2HD PRO 36 1HD PRO 36 -11.648 4.655 6.767
Start of MODEL 17
1 1H ASP 1 1H ASP 1 14.564 10.868 -4.353
2 2H ASP 1 2H ASP 1 15.731 9.868 -5.074
3 3H ASP 1 3H ASP 1 15.287 9.628 -3.452
4 HA ASP 1 HA ASP 1 13.532 9.208 -5.823
5 1HB ASP 1 2HB ASP 1 15.538 7.656 -4.457
6 2HB ASP 1 1HB ASP 1 13.963 6.907 -4.197
7 H GLY 2 H GLY 2 11.382 9.313 -5.304
8 1HA GLY 2 2HA GLY 2 10.521 9.891 -2.594
9 2HA GLY 2 1HA GLY 2 9.462 9.648 -3.983
10 H GLU 3 H GLU 3 9.885 8.456 -1.048
11 HA GLU 3 HA GLU 3 9.914 5.568 -1.696
12 1HB GLU 3 2HB GLU 3 9.893 5.349 0.767
13 2HB GLU 3 1HB GLU 3 11.128 6.494 0.253
14 1HG GLU 3 2HG GLU 3 8.786 8.028 0.581
15 2HG GLU 3 1HG GLU 3 8.833 6.941 1.969
16 H CYS 4 H CYS 4 7.755 6.583 -2.983
17 HA CYS 4 HA CYS 4 5.439 5.728 -1.281
18 1HB CYS 4 2HB CYS 4 4.965 7.966 -1.425
19 2HB CYS 4 1HB CYS 4 5.976 8.192 -2.847
20 H GLY 5 H GLY 5 3.678 4.762 -2.528
21 1HA GLY 5 2HA GLY 5 4.633 3.490 -5.048
22 2HA GLY 5 1HA GLY 5 3.390 2.821 -3.989
23 H GLY 6 H GLY 6 1.295 3.234 -4.520
24 1HA GLY 6 2HA GLY 6 0.584 5.704 -5.960
25 2HA GLY 6 1HA GLY 6 0.317 4.208 -6.851
26 H PHE 7 H PHE 7 -2.001 4.787 -6.782
27 HA PHE 7 HA PHE 7 -3.405 4.837 -4.209
28 1HB PHE 7 2HB PHE 7 -4.173 6.153 -6.107
29 2HB PHE 7 1HB PHE 7 -4.279 4.711 -7.113
30 HD1 PHE 7 HD1 PHE 7 -6.126 3.161 -6.906
31 HD2 PHE 7 HD2 PHE 7 -5.782 6.524 -4.254
32 HE1 PHE 7 HE1 PHE 7 -8.451 2.787 -6.131
33 HE2 PHE 7 HE2 PHE 7 -8.110 6.149 -3.480
34 HZ PHE 7 HZ PHE 7 -9.442 4.280 -4.419
35 H TRP 8 H TRP 8 -2.782 2.445 -6.753
36 HA TRP 8 HA TRP 8 -3.839 0.336 -4.925
37 1HB TRP 8 2HB TRP 8 -5.668 0.930 -6.423
38 2HB TRP 8 1HB TRP 8 -4.606 0.809 -7.825
39 HD1 TRP 8 HD1 TRP 8 -5.390 -1.573 -4.864
40 HE1 TRP 8 HE1 TRP 8 -5.836 -3.921 -5.825
41 HE3 TRP 8 HE3 TRP 8 -4.832 -0.610 -9.850
42 HZ2 TRP 8 HZ2 TRP 8 -5.944 -5.222 -8.370
43 HZ3 TRP 8 HZ3 TRP 8 -5.112 -2.421 -11.518
44 HH2 TRP 8 HH2 TRP 8 -5.666 -4.723 -10.785
45 H TRP 9 H TRP 9 -1.443 0.077 -4.702
46 HA TRP 9 HA TRP 9 -0.142 -1.244 -7.064
47 1HB TRP 9 2HB TRP 9 0.809 0.245 -4.606
48 2HB TRP 9 1HB TRP 9 1.919 -0.771 -5.523
49 HD1 TRP 9 HD1 TRP 9 -0.838 1.244 -7.249
50 HE1 TRP 9 HE1 TRP 9 0.247 3.054 -8.715
51 HE3 TRP 9 HE3 TRP 9 4.043 0.701 -5.852
52 HZ2 TRP 9 HZ2 TRP 9 2.826 4.143 -9.219
53 HZ3 TRP 9 HZ3 TRP 9 5.792 2.145 -6.847
54 HH2 TRP 9 HH2 TRP 9 5.195 3.860 -8.532
55 H LYS 10 H LYS 10 1.035 -3.282 -6.616
56 HA LYS 10 HA LYS 10 -0.338 -4.909 -4.560
57 1HB LYS 10 2HB LYS 10 1.272 -5.317 -7.016
58 2HB LYS 10 1HB LYS 10 1.411 -6.576 -5.789
59 1HG LYS 10 2HG LYS 10 -0.612 -7.392 -6.336
60 2HG LYS 10 1HG LYS 10 -1.354 -5.819 -6.051
61 1HD LYS 10 2HD LYS 10 -1.746 -5.727 -8.271
62 2HD LYS 10 1HD LYS 10 -0.009 -5.500 -8.477
63 1HE LYS 10 2HE LYS 10 -0.394 -7.384 -9.827
64 2HE LYS 10 1HE LYS 10 0.039 -8.151 -8.286
65 1HZ LYS 10 1HZ LYS 10 -2.295 -8.235 -7.692
66 2HZ LYS 10 2HZ LYS 10 -2.052 -9.032 -9.172
67 3HZ LYS 10 3HZ LYS 10 -2.729 -7.473 -9.145
68 H CYS 11 H CYS 11 0.593 -5.574 -2.669
69 HA CYS 11 HA CYS 11 3.529 -5.533 -2.365
70 1HB CYS 11 2HB CYS 11 3.438 -3.997 -0.478
71 2HB CYS 11 1HB CYS 11 2.618 -3.239 -1.839
72 H GLY 12 H GLY 12 4.140 -6.502 -0.172
73 1HA GLY 12 2HA GLY 12 2.342 -8.769 0.419
74 2HA GLY 12 1HA GLY 12 3.989 -8.568 1.018
75 H ARG 13 H ARG 13 4.188 -7.963 3.115
76 HA ARG 13 HA ARG 13 1.769 -7.120 4.614
77 1HB ARG 13 2HB ARG 13 4.280 -8.511 5.082
78 2HB ARG 13 1HB ARG 13 4.056 -7.231 6.272
79 1HG ARG 13 2HG ARG 13 2.889 -8.940 7.308
80 2HG ARG 13 1HG ARG 13 1.588 -8.215 6.364
81 1HD ARG 13 2HD ARG 13 1.422 -10.546 5.892
82 2HD ARG 13 1HD ARG 13 2.305 -9.895 4.496
83 HE ARG 13 HE ARG 13 3.678 -11.148 6.850
84 1HH1 ARG 13 1HH1 ARG 13 3.021 -12.503 4.101
85 2HH1 ARG 13 2HH1 ARG 13 4.588 -12.444 3.363
86 1HH2 ARG 13 1HH2 ARG 13 5.868 -10.163 5.649
87 2HH2 ARG 13 2HH2 ARG 13 6.202 -11.113 4.242
88 H GLY 14 H GLY 14 3.174 -5.270 2.665
89 1HA GLY 14 2HA GLY 14 3.176 -2.852 2.851
90 2HA GLY 14 1HA GLY 14 3.596 -3.015 4.555
91 H LYS 15 H LYS 15 5.165 -4.781 1.900
92 HA LYS 15 HA LYS 15 7.804 -4.146 2.815
93 1HB LYS 15 2HB LYS 15 6.491 -5.647 0.712
94 2HB LYS 15 1HB LYS 15 7.922 -4.828 0.084
95 1HG LYS 15 2HG LYS 15 8.878 -6.779 0.894
96 2HG LYS 15 1HG LYS 15 9.027 -5.738 2.310
97 1HD LYS 15 2HD LYS 15 6.486 -7.272 2.016
98 2HD LYS 15 1HD LYS 15 7.931 -8.184 2.453
99 1HE LYS 15 2HE LYS 15 8.308 -6.364 4.261
100 2HE LYS 15 1HE LYS 15 6.615 -5.924 3.970
101 1HZ LYS 15 1HZ LYS 15 6.083 -8.336 4.216
102 2HZ LYS 15 2HZ LYS 15 6.627 -7.596 5.644
103 3HZ LYS 15 3HZ LYS 15 7.674 -8.588 4.747
104 HA PRO 16 HA PRO 16 8.091 -0.930 -0.682
105 1HB PRO 16 2HB PRO 16 5.910 -0.488 -2.275
106 2HB PRO 16 1HB PRO 16 7.128 -1.729 -2.634
107 1HG PRO 16 2HG PRO 16 4.425 -2.021 -1.436
108 2HG PRO 16 1HG PRO 16 5.286 -3.088 -2.556
109 1HD PRO 16 2HD PRO 16 5.060 -3.541 0.143
110 2HD PRO 16 1HD PRO 16 6.367 -4.185 -0.873
111 HA PRO 17 HA PRO 17 5.979 1.886 2.072
112 1HB PRO 17 2HB PRO 17 7.386 4.139 1.406
113 2HB PRO 17 1HB PRO 17 8.034 2.872 2.466
114 1HG PRO 17 2HG PRO 17 8.560 3.375 -0.418
115 2HG PRO 17 1HG PRO 17 9.672 2.858 0.858
116 1HD PRO 17 2HD PRO 17 8.603 1.155 -0.986
117 2HD PRO 17 1HD PRO 17 9.096 0.650 0.646
118 H CYS 18 H CYS 18 3.925 2.460 1.446
119 HA CYS 18 HA CYS 18 3.355 3.463 -1.254
120 1HB CYS 18 2HB CYS 18 1.658 3.092 1.238
121 2HB CYS 18 1HB CYS 18 1.025 3.451 -0.368
122 H CYS 19 H CYS 19 1.895 5.511 -1.385
123 HA CYS 19 HA CYS 19 3.333 7.795 -0.404
124 1HB CYS 19 2HB CYS 19 0.999 7.152 -2.032
125 2HB CYS 19 1HB CYS 19 0.724 8.596 -1.061
126 H LYS 20 H LYS 20 2.787 9.252 1.297
127 HA LYS 20 HA LYS 20 1.897 8.246 3.740
128 1HB LYS 20 2HB LYS 20 1.686 10.633 4.371
129 2HB LYS 20 1HB LYS 20 3.130 10.350 3.402
130 1HG LYS 20 2HG LYS 20 1.000 10.893 1.590
131 2HG LYS 20 1HG LYS 20 0.938 12.120 2.854
132 1HD LYS 20 2HD LYS 20 3.128 12.864 2.415
133 2HD LYS 20 1HD LYS 20 3.556 11.381 1.561
134 1HE LYS 20 2HE LYS 20 2.434 12.017 -0.390
135 2HE LYS 20 1HE LYS 20 1.349 13.121 0.477
136 1HZ LYS 20 1HZ LYS 20 3.070 14.368 -0.669
137 2HZ LYS 20 2HZ LYS 20 4.280 13.478 0.124
138 3HZ LYS 20 3HZ LYS 20 3.265 14.515 1.009
139 H GLY 21 H GLY 21 -0.083 7.831 4.640
140 1HA GLY 21 2HA GLY 21 -2.444 8.327 5.001
141 2HA GLY 21 1HA GLY 21 -2.524 8.965 3.358
142 H TYR 22 H TYR 22 -0.934 6.631 2.321
143 HA TYR 22 HA TYR 22 -3.220 4.775 1.999
144 1HB TYR 22 2HB TYR 22 -0.450 4.842 0.749
145 2HB TYR 22 1HB TYR 22 -1.796 3.849 0.207
146 HD1 TYR 22 HD1 TYR 22 -0.489 5.580 -1.712
147 HD2 TYR 22 HD2 TYR 22 -3.627 6.521 1.068
148 HE1 TYR 22 HE1 TYR 22 -1.248 7.419 -3.191
149 HE2 TYR 22 HE2 TYR 22 -4.381 8.360 -0.410
150 HH TYR 22 HH TYR 22 -2.849 9.840 -2.437
151 H ALA 23 H ALA 23 -2.991 2.480 2.400
152 HA ALA 23 HA ALA 23 -0.673 1.668 4.117
153 1HB ALA 23 1HB ALA 23 -2.053 1.260 5.883
154 2HB ALA 23 2HB ALA 23 -3.288 0.536 4.855
155 3HB ALA 23 3HB ALA 23 -3.211 2.289 5.040
156 H CYS 24 H CYS 24 -0.195 -0.609 3.980
157 HA CYS 24 HA CYS 24 -1.150 -1.891 1.484
158 1HB CYS 24 2HB CYS 24 1.152 -2.028 3.315
159 2HB CYS 24 1HB CYS 24 0.629 -3.605 2.726
160 H SER 25 H SER 25 -1.823 -4.208 1.564
161 HA SER 25 HA SER 25 -3.133 -4.956 4.151
162 1HB SER 25 2HB SER 25 -4.270 -4.289 1.560
163 2HB SER 25 1HB SER 25 -4.739 -5.910 2.063
164 HG SER 25 HG SER 25 -5.901 -5.078 3.611
165 H LYS 26 H LYS 26 -1.735 -6.644 4.690
166 HA LYS 26 HA LYS 26 -0.543 -8.503 2.886
167 1HB LYS 26 2HB LYS 26 -0.120 -9.777 4.933
168 2HB LYS 26 1HB LYS 26 0.081 -8.060 5.268
169 1HG LYS 26 2HG LYS 26 -2.302 -8.024 6.100
170 2HG LYS 26 1HG LYS 26 -2.321 -9.781 5.939
171 1HD LYS 26 2HD LYS 26 -0.017 -9.450 7.343
172 2HD LYS 26 1HD LYS 26 -0.955 -8.084 7.946
173 1HE LYS 26 2HE LYS 26 -2.258 -10.796 7.769
174 2HE LYS 26 1HE LYS 26 -1.205 -10.412 9.144
175 1HZ LYS 26 1HZ LYS 26 -3.496 -8.763 8.202
176 2HZ LYS 26 2HZ LYS 26 -2.469 -8.376 9.500
177 3HZ LYS 26 3HZ LYS 26 -3.487 -9.732 9.593
178 H THR 27 H THR 27 -3.700 -8.480 4.476
179 HA THR 27 HA THR 27 -4.457 -11.193 3.821
180 HB THR 27 HB THR 27 -6.217 -8.768 4.308
181 HG1 THR 27 HG1 THR 27 -5.508 -8.786 6.276
182 1HG2 THR 27 1HG2 THR 27 -6.891 -11.385 3.716
183 2HG2 THR 27 2HG2 THR 27 -7.923 -10.235 4.564
184 3HG2 THR 27 3HG2 THR 27 -6.929 -11.367 5.479
185 H TRP 28 H TRP 28 -4.972 -8.048 2.245
186 HA TRP 28 HA TRP 28 -6.550 -9.208 0.052
187 1HB TRP 28 2HB TRP 28 -5.303 -6.469 0.478
188 2HB TRP 28 1HB TRP 28 -6.489 -6.862 -0.760
189 HD1 TRP 28 HD1 TRP 28 -7.732 -8.853 1.870
190 HE1 TRP 28 HE1 TRP 28 -9.468 -7.639 3.331
191 HE3 TRP 28 HE3 TRP 28 -6.810 -4.019 0.507
192 HZ2 TRP 28 HZ2 TRP 28 -10.369 -4.974 3.838
193 HZ3 TRP 28 HZ3 TRP 28 -8.123 -2.164 1.491
194 HH2 TRP 28 HH2 TRP 28 -9.899 -2.636 3.156
195 H GLY 29 H GLY 29 -3.357 -7.603 0.317
196 1HA GLY 29 2HA GLY 29 -1.407 -8.714 -0.757
197 2HA GLY 29 1HA GLY 29 -2.482 -9.174 -2.072
198 H TRP 30 H TRP 30 -2.907 -5.932 -0.828
199 HA TRP 30 HA TRP 30 -1.039 -4.796 -2.826
200 1HB TRP 30 2HB TRP 30 -2.806 -3.683 -4.075
201 2HB TRP 30 1HB TRP 30 -3.132 -5.411 -4.038
202 HD1 TRP 30 HD1 TRP 30 -4.141 -2.250 -2.030
203 HE1 TRP 30 HE1 TRP 30 -6.588 -2.530 -1.292
204 HE3 TRP 30 HE3 TRP 30 -5.074 -6.936 -3.830
205 HZ2 TRP 30 HZ2 TRP 30 -8.676 -4.480 -1.445
206 HZ3 TRP 30 HZ3 TRP 30 -7.301 -7.979 -3.524
207 HH2 TRP 30 HH2 TRP 30 -9.101 -6.756 -2.335
208 H CYS 31 H CYS 31 -1.814 -2.215 -2.906
209 HA CYS 31 HA CYS 31 -2.039 -1.316 -0.056
210 1HB CYS 31 2HB CYS 31 0.310 -1.430 -1.124
211 2HB CYS 31 1HB CYS 31 -0.222 -0.094 -2.143
212 H ALA 32 H ALA 32 -3.545 0.283 0.183
213 HA ALA 32 HA ALA 32 -4.145 2.130 -2.063
214 1HB ALA 32 1HB ALA 32 -6.636 1.554 -1.621
215 2HB ALA 32 2HB ALA 32 -6.018 0.109 -0.819
216 3HB ALA 32 3HB ALA 32 -5.683 0.381 -2.529
217 H VAL 33 H VAL 33 -6.137 3.613 -1.097
218 HA VAL 33 HA VAL 33 -5.015 4.933 1.241
219 HB VAL 33 HB VAL 33 -7.751 5.315 -0.021
220 1HG1 VAL 33 1HG1 VAL 33 -6.773 6.499 2.182
221 2HG1 VAL 33 2HG1 VAL 33 -7.785 7.366 1.026
222 3HG1 VAL 33 3HG1 VAL 33 -6.031 7.543 0.969
223 1HG2 VAL 33 1HG2 VAL 33 -6.613 5.730 -1.945
224 2HG2 VAL 33 2HG2 VAL 33 -5.059 5.774 -1.118
225 3HG2 VAL 33 3HG2 VAL 33 -6.082 7.210 -1.147
226 H GLU 34 H GLU 34 -5.086 3.365 2.945
227 HA GLU 34 HA GLU 34 -7.800 2.438 3.795
228 1HB GLU 34 2HB GLU 34 -4.981 1.495 4.385
229 2HB GLU 34 1HB GLU 34 -6.424 0.785 5.108
230 1HG GLU 34 2HG GLU 34 -7.265 0.473 2.686
231 2HG GLU 34 1HG GLU 34 -5.598 0.787 2.202
232 H ALA 35 H ALA 35 -4.949 4.241 4.871
233 HA ALA 35 HA ALA 35 -5.977 4.541 7.624
234 1HB ALA 35 1HB ALA 35 -3.708 6.132 6.481
235 2HB ALA 35 2HB ALA 35 -3.510 4.385 6.624
236 3HB ALA 35 3HB ALA 35 -3.846 5.354 8.057
237 HA PRO 36 HA PRO 36 -8.141 8.306 6.911
238 1HB PRO 36 2HB PRO 36 -7.778 9.573 9.313
239 2HB PRO 36 1HB PRO 36 -8.872 8.192 9.101
240 1HG PRO 36 2HG PRO 36 -6.116 8.267 10.221
241 2HG PRO 36 1HG PRO 36 -7.523 7.328 10.745
242 1HD PRO 36 2HD PRO 36 -5.486 6.275 9.275
243 2HD PRO 36 1HD PRO 36 -7.157 5.672 9.204
Start of MODEL 18
1 1H ASP 1 1H ASP 1 10.412 11.641 -0.283
2 2H ASP 1 2H ASP 1 9.345 12.925 -0.605
3 3H ASP 1 3H ASP 1 10.941 12.973 -1.191
4 HA ASP 1 HA ASP 1 8.834 11.044 -2.043
5 1HB ASP 1 2HB ASP 1 9.887 13.679 -2.983
6 2HB ASP 1 1HB ASP 1 9.467 12.489 -4.215
7 H GLY 2 H GLY 2 9.583 9.446 -3.491
8 1HA GLY 2 2HA GLY 2 11.883 9.279 -4.990
9 2HA GLY 2 1HA GLY 2 12.442 8.842 -3.376
10 H GLU 3 H GLU 3 11.171 7.053 -2.285
11 HA GLU 3 HA GLU 3 10.454 4.971 -4.314
12 1HB GLU 3 2HB GLU 3 12.299 5.001 -2.274
13 2HB GLU 3 1HB GLU 3 10.929 4.200 -1.502
14 1HG GLU 3 2HG GLU 3 10.894 2.459 -3.099
15 2HG GLU 3 1HG GLU 3 11.870 3.376 -4.248
16 H CYS 4 H CYS 4 8.219 5.431 -4.558
17 HA CYS 4 HA CYS 4 6.542 4.756 -2.181
18 1HB CYS 4 2HB CYS 4 5.770 6.874 -2.076
19 2HB CYS 4 1HB CYS 4 6.932 7.329 -3.314
20 H GLY 5 H GLY 5 4.448 3.874 -2.784
21 1HA GLY 5 2HA GLY 5 4.495 2.480 -5.370
22 2HA GLY 5 1HA GLY 5 3.340 2.209 -4.068
23 H GLY 6 H GLY 6 1.330 2.699 -4.774
24 1HA GLY 6 2HA GLY 6 0.875 5.341 -6.043
25 2HA GLY 6 1HA GLY 6 0.319 3.915 -6.917
26 H PHE 7 H PHE 7 -1.918 4.453 -6.699
27 HA PHE 7 HA PHE 7 -3.057 4.867 -4.009
28 1HB PHE 7 2HB PHE 7 -3.890 6.141 -5.910
29 2HB PHE 7 1HB PHE 7 -4.234 4.657 -6.798
30 HD1 PHE 7 HD1 PHE 7 -4.952 6.043 -3.369
31 HD2 PHE 7 HD2 PHE 7 -6.475 4.032 -6.847
32 HE1 PHE 7 HE1 PHE 7 -7.195 5.925 -2.319
33 HE2 PHE 7 HE2 PHE 7 -8.718 3.916 -5.797
34 HZ PHE 7 HZ PHE 7 -9.078 4.862 -3.534
35 H TRP 8 H TRP 8 -2.733 2.241 -6.334
36 HA TRP 8 HA TRP 8 -3.840 0.357 -4.327
37 1HB TRP 8 2HB TRP 8 -5.469 1.457 -6.233
38 2HB TRP 8 1HB TRP 8 -4.907 0.012 -7.068
39 HD1 TRP 8 HD1 TRP 8 -5.542 -2.350 -6.028
40 HE1 TRP 8 HE1 TRP 8 -7.368 -3.056 -4.350
41 HE3 TRP 8 HE3 TRP 8 -6.814 2.218 -4.134
42 HZ2 TRP 8 HZ2 TRP 8 -9.135 -1.842 -2.454
43 HZ3 TRP 8 HZ3 TRP 8 -8.569 2.416 -2.395
44 HH2 TRP 8 HH2 TRP 8 -9.729 0.393 -1.553
45 H TRP 9 H TRP 9 -1.330 0.112 -4.595
46 HA TRP 9 HA TRP 9 -0.562 -1.487 -6.993
47 1HB TRP 9 2HB TRP 9 0.877 -0.120 -4.705
48 2HB TRP 9 1HB TRP 9 1.725 -1.223 -5.787
49 HD1 TRP 9 HD1 TRP 9 -1.056 1.025 -7.114
50 HE1 TRP 9 HE1 TRP 9 -0.039 2.764 -8.713
51 HE3 TRP 9 HE3 TRP 9 3.914 0.118 -6.364
52 HZ2 TRP 9 HZ2 TRP 9 2.528 3.666 -9.550
53 HZ3 TRP 9 HZ3 TRP 9 5.620 1.438 -7.581
54 HH2 TRP 9 HH2 TRP 9 4.936 3.207 -9.176
55 H LYS 10 H LYS 10 0.578 -3.595 -6.618
56 HA LYS 10 HA LYS 10 -0.751 -5.115 -4.453
57 1HB LYS 10 2HB LYS 10 0.650 -5.645 -7.016
58 2HB LYS 10 1HB LYS 10 0.774 -6.909 -5.793
59 1HG LYS 10 2HG LYS 10 -1.210 -7.556 -6.773
60 2HG LYS 10 1HG LYS 10 -1.847 -6.432 -5.572
61 1HD LYS 10 2HD LYS 10 -2.880 -5.810 -7.631
62 2HD LYS 10 1HD LYS 10 -1.612 -4.614 -7.363
63 1HE LYS 10 2HE LYS 10 -1.026 -5.154 -9.522
64 2HE LYS 10 1HE LYS 10 -0.223 -6.532 -8.746
65 1HZ LYS 10 1HZ LYS 10 -3.037 -6.485 -9.712
66 2HZ LYS 10 2HZ LYS 10 -2.275 -7.799 -8.947
67 3HZ LYS 10 3HZ LYS 10 -1.748 -7.278 -10.476
68 H CYS 11 H CYS 11 0.253 -5.736 -2.599
69 HA CYS 11 HA CYS 11 3.182 -6.052 -2.530
70 1HB CYS 11 2HB CYS 11 3.431 -4.439 -0.704
71 2HB CYS 11 1HB CYS 11 2.682 -3.645 -2.087
72 H GLY 12 H GLY 12 3.751 -6.661 -0.057
73 1HA GLY 12 2HA GLY 12 1.798 -8.774 0.711
74 2HA GLY 12 1HA GLY 12 3.499 -8.734 1.180
75 H ARG 13 H ARG 13 3.750 -8.289 3.305
76 HA ARG 13 HA ARG 13 1.632 -6.847 4.798
77 1HB ARG 13 2HB ARG 13 3.065 -9.027 5.368
78 2HB ARG 13 1HB ARG 13 4.205 -7.833 5.987
79 1HG ARG 13 2HG ARG 13 1.450 -7.277 6.804
80 2HG ARG 13 1HG ARG 13 2.020 -8.849 7.367
81 1HD ARG 13 2HD ARG 13 3.814 -6.452 7.680
82 2HD ARG 13 1HD ARG 13 2.500 -6.720 8.841
83 HE ARG 13 HE ARG 13 3.488 -8.907 9.367
84 1HH1 ARG 13 1HH1 ARG 13 5.740 -6.871 9.706
85 2HH1 ARG 13 2HH1 ARG 13 7.044 -7.676 8.899
86 1HH2 ARG 13 1HH2 ARG 13 4.983 -9.960 7.281
87 2HH2 ARG 13 2HH2 ARG 13 6.615 -9.432 7.526
88 H GLY 14 H GLY 14 2.738 -5.039 3.071
89 1HA GLY 14 2HA GLY 14 3.579 -2.833 3.181
90 2HA GLY 14 1HA GLY 14 4.007 -3.117 4.866
91 H LYS 15 H LYS 15 5.022 -5.087 2.082
92 HA LYS 15 HA LYS 15 7.792 -5.047 2.921
93 1HB LYS 15 2HB LYS 15 6.091 -6.459 1.135
94 2HB LYS 15 1HB LYS 15 7.430 -5.833 0.175
95 1HG LYS 15 2HG LYS 15 8.735 -6.744 2.411
96 2HG LYS 15 1HG LYS 15 7.427 -7.919 2.255
97 1HD LYS 15 2HD LYS 15 9.101 -8.840 0.894
98 2HD LYS 15 1HD LYS 15 8.099 -7.969 -0.267
99 1HE LYS 15 2HE LYS 15 9.640 -6.095 -0.296
100 2HE LYS 15 1HE LYS 15 10.585 -6.797 1.030
101 1HZ LYS 15 1HZ LYS 15 11.525 -7.301 -1.186
102 2HZ LYS 15 2HZ LYS 15 10.097 -8.136 -1.581
103 3HZ LYS 15 3HZ LYS 15 11.094 -8.696 -0.324
104 HA PRO 16 HA PRO 16 8.503 -2.155 -0.793
105 1HB PRO 16 2HB PRO 16 6.360 -1.342 -2.285
106 2HB PRO 16 1HB PRO 16 7.255 -2.836 -2.621
107 1HG PRO 16 2HG PRO 16 4.634 -2.461 -1.287
108 2HG PRO 16 1HG PRO 16 5.193 -3.770 -2.337
109 1HD PRO 16 2HD PRO 16 5.030 -3.917 0.415
110 2HD PRO 16 1HD PRO 16 6.055 -4.953 -0.599
111 HA PRO 17 HA PRO 17 7.354 1.363 1.650
112 1HB PRO 17 2HB PRO 17 8.789 3.279 0.327
113 2HB PRO 17 1HB PRO 17 9.538 2.083 1.403
114 1HG PRO 17 2HG PRO 17 9.407 2.139 -1.567
115 2HG PRO 17 1HG PRO 17 10.721 1.612 -0.503
116 1HD PRO 17 2HD PRO 17 9.014 -0.101 -1.790
117 2HD PRO 17 1HD PRO 17 9.869 -0.494 -0.284
118 H CYS 18 H CYS 18 5.126 1.688 1.158
119 HA CYS 18 HA CYS 18 4.173 2.668 -1.395
120 1HB CYS 18 2HB CYS 18 3.125 1.667 1.026
121 2HB CYS 18 1HB CYS 18 2.475 3.300 0.882
122 H CYS 19 H CYS 19 2.821 4.879 -1.298
123 HA CYS 19 HA CYS 19 4.767 6.992 -0.668
124 1HB CYS 19 2HB CYS 19 1.926 7.480 -1.532
125 2HB CYS 19 1HB CYS 19 3.390 8.335 -2.007
126 H LYS 20 H LYS 20 4.131 8.896 0.683
127 HA LYS 20 HA LYS 20 3.319 8.227 3.292
128 1HB LYS 20 2HB LYS 20 4.577 10.261 2.439
129 2HB LYS 20 1HB LYS 20 3.017 10.923 1.943
130 1HG LYS 20 2HG LYS 20 2.408 10.252 4.484
131 2HG LYS 20 1HG LYS 20 4.136 10.554 4.679
132 1HD LYS 20 2HD LYS 20 3.109 12.661 5.058
133 2HD LYS 20 1HD LYS 20 3.724 12.752 3.407
134 1HE LYS 20 2HE LYS 20 1.618 13.281 2.747
135 2HE LYS 20 1HE LYS 20 1.132 11.633 3.186
136 1HZ LYS 20 1HZ LYS 20 -0.143 13.272 4.436
137 2HZ LYS 20 2HZ LYS 20 1.290 13.947 5.051
138 3HZ LYS 20 3HZ LYS 20 0.841 12.363 5.474
139 H GLY 21 H GLY 21 1.317 7.613 4.013
140 1HA GLY 21 2HA GLY 21 -1.024 8.226 4.426
141 2HA GLY 21 1HA GLY 21 -1.087 8.909 2.802
142 H TYR 22 H TYR 22 0.544 6.286 2.043
143 HA TYR 22 HA TYR 22 -1.917 4.664 1.561
144 1HB TYR 22 2HB TYR 22 0.851 4.667 0.305
145 2HB TYR 22 1HB TYR 22 -0.492 3.655 -0.221
146 HD1 TYR 22 HD1 TYR 22 -2.176 4.503 -1.665
147 HD2 TYR 22 HD2 TYR 22 0.589 7.203 0.206
148 HE1 TYR 22 HE1 TYR 22 -3.012 6.355 -3.089
149 HE2 TYR 22 HE2 TYR 22 -0.246 9.049 -1.215
150 HH TYR 22 HH TYR 22 -2.957 9.183 -2.644
151 H ALA 23 H ALA 23 -2.137 2.705 2.569
152 HA ALA 23 HA ALA 23 0.235 1.587 4.033
153 1HB ALA 23 1HB ALA 23 -1.336 2.268 5.646
154 2HB ALA 23 2HB ALA 23 -1.750 0.569 5.418
155 3HB ALA 23 3HB ALA 23 -2.709 1.823 4.631
156 H CYS 24 H CYS 24 0.573 -0.676 3.876
157 HA CYS 24 HA CYS 24 -0.668 -1.979 1.527
158 1HB CYS 24 2HB CYS 24 1.748 -2.233 3.214
159 2HB CYS 24 1HB CYS 24 1.088 -3.769 2.650
160 H SER 25 H SER 25 -1.577 -4.168 1.727
161 HA SER 25 HA SER 25 -2.655 -4.782 4.455
162 1HB SER 25 2HB SER 25 -3.972 -4.354 1.813
163 2HB SER 25 1HB SER 25 -4.654 -5.591 2.866
164 HG SER 25 HG SER 25 -4.534 -2.831 3.167
165 H LYS 26 H LYS 26 -1.874 -6.761 5.044
166 HA LYS 26 HA LYS 26 -0.751 -8.673 3.184
167 1HB LYS 26 2HB LYS 26 0.032 -8.508 5.467
168 2HB LYS 26 1HB LYS 26 -1.595 -8.763 6.096
169 1HG LYS 26 2HG LYS 26 -0.969 -10.953 4.364
170 2HG LYS 26 1HG LYS 26 0.383 -10.732 5.475
171 1HD LYS 26 2HD LYS 26 -0.868 -11.263 7.324
172 2HD LYS 26 1HD LYS 26 -2.342 -10.559 6.658
173 1HE LYS 26 2HE LYS 26 -2.219 -12.565 4.958
174 2HE LYS 26 1HE LYS 26 -1.185 -13.301 6.198
175 1HZ LYS 26 1HZ LYS 26 -3.908 -12.181 6.612
176 2HZ LYS 26 2HZ LYS 26 -2.902 -12.762 7.852
177 3HZ LYS 26 3HZ LYS 26 -3.484 -13.822 6.658
178 H THR 27 H THR 27 -3.873 -8.377 4.850
179 HA THR 27 HA THR 27 -4.935 -10.938 3.997
180 HB THR 27 HB THR 27 -6.428 -8.413 4.781
181 HG1 THR 27 HG1 THR 27 -5.175 -10.384 6.399
182 1HG2 THR 27 1HG2 THR 27 -7.072 -11.323 5.316
183 2HG2 THR 27 2HG2 THR 27 -7.707 -10.424 3.937
184 3HG2 THR 27 3HG2 THR 27 -8.118 -9.928 5.580
185 H TRP 28 H TRP 28 -5.165 -7.613 2.753
186 HA TRP 28 HA TRP 28 -6.978 -8.326 0.568
187 1HB TRP 28 2HB TRP 28 -5.274 -5.873 1.132
188 2HB TRP 28 1HB TRP 28 -6.548 -5.957 -0.075
189 HD1 TRP 28 HD1 TRP 28 -7.922 -7.950 2.535
190 HE1 TRP 28 HE1 TRP 28 -9.415 -6.602 4.138
191 HE3 TRP 28 HE3 TRP 28 -6.492 -3.206 1.299
192 HZ2 TRP 28 HZ2 TRP 28 -9.948 -3.875 4.805
193 HZ3 TRP 28 HZ3 TRP 28 -7.512 -1.253 2.433
194 HH2 TRP 28 HH2 TRP 28 -9.236 -1.583 4.182
195 H GLY 29 H GLY 29 -3.528 -7.402 0.800
196 1HA GLY 29 2HA GLY 29 -1.807 -8.569 -0.468
197 2HA GLY 29 1HA GLY 29 -3.015 -8.956 -1.689
198 H TRP 30 H TRP 30 -3.075 -5.681 -0.499
199 HA TRP 30 HA TRP 30 -1.270 -4.726 -2.646
200 1HB TRP 30 2HB TRP 30 -3.005 -3.569 -3.846
201 2HB TRP 30 1HB TRP 30 -3.576 -5.215 -3.603
202 HD1 TRP 30 HD1 TRP 30 -3.893 -1.766 -1.868
203 HE1 TRP 30 HE1 TRP 30 -6.249 -1.593 -0.860
204 HE3 TRP 30 HE3 TRP 30 -5.697 -6.396 -3.046
205 HZ2 TRP 30 HZ2 TRP 30 -8.602 -3.198 -0.591
206 HZ3 TRP 30 HZ3 TRP 30 -8.003 -7.042 -2.408
207 HH2 TRP 30 HH2 TRP 30 -9.456 -5.449 -1.182
208 H CYS 31 H CYS 31 -1.543 -2.145 -2.684
209 HA CYS 31 HA CYS 31 -1.608 -1.199 0.165
210 1HB CYS 31 2HB CYS 31 0.662 -1.472 -0.955
211 2HB CYS 31 1HB CYS 31 0.173 -0.210 -2.082
212 H ALA 32 H ALA 32 -2.975 0.493 0.499
213 HA ALA 32 HA ALA 32 -3.589 2.382 -1.716
214 1HB ALA 32 1HB ALA 32 -5.593 0.663 -0.220
215 2HB ALA 32 2HB ALA 32 -5.244 0.620 -1.948
216 3HB ALA 32 3HB ALA 32 -6.045 2.025 -1.245
217 H VAL 33 H VAL 33 -4.975 4.245 -0.812
218 HA VAL 33 HA VAL 33 -3.743 5.420 1.475
219 HB VAL 33 HB VAL 33 -6.438 5.965 0.176
220 1HG1 VAL 33 1HG1 VAL 33 -5.900 8.328 1.022
221 2HG1 VAL 33 2HG1 VAL 33 -4.690 7.566 2.055
222 3HG1 VAL 33 3HG1 VAL 33 -6.394 7.155 2.242
223 1HG2 VAL 33 1HG2 VAL 33 -3.718 7.214 -0.330
224 2HG2 VAL 33 2HG2 VAL 33 -5.219 7.595 -1.175
225 3HG2 VAL 33 3HG2 VAL 33 -4.474 6.011 -1.374
226 H GLU 34 H GLU 34 -4.694 5.876 3.596
227 HA GLU 34 HA GLU 34 -6.331 3.611 4.603
228 1HB GLU 34 2HB GLU 34 -4.319 5.518 5.611
229 2HB GLU 34 1HB GLU 34 -5.618 5.180 6.753
230 1HG GLU 34 2HG GLU 34 -3.993 3.052 5.327
231 2HG GLU 34 1HG GLU 34 -3.702 3.590 6.981
232 H ALA 35 H ALA 35 -7.633 5.748 2.997
233 HA ALA 35 HA ALA 35 -9.052 7.552 4.762
234 1HB ALA 35 1HB ALA 35 -10.254 6.758 2.169
235 2HB ALA 35 2HB ALA 35 -8.594 7.344 2.082
236 3HB ALA 35 3HB ALA 35 -9.855 8.363 2.778
237 HA PRO 36 HA PRO 36 -12.625 4.388 4.349
238 1HB PRO 36 2HB PRO 36 -12.077 1.915 3.321
239 2HB PRO 36 1HB PRO 36 -12.586 3.288 2.318
240 1HG PRO 36 2HG PRO 36 -9.872 2.155 2.734
241 2HG PRO 36 1HG PRO 36 -10.603 2.831 1.271
242 1HD PRO 36 2HD PRO 36 -8.821 4.169 2.863
243 2HD PRO 36 1HD PRO 36 -10.014 4.965 1.815
Start of MODEL 19
1 1H ASP 1 1H ASP 1 15.924 2.685 1.086
2 2H ASP 1 2H ASP 1 14.898 3.637 2.048
3 3H ASP 1 3H ASP 1 16.151 4.363 1.163
4 HA ASP 1 HA ASP 1 15.076 4.125 -0.862
5 1HB ASP 1 2HB ASP 1 13.173 2.511 -1.092
6 2HB ASP 1 1HB ASP 1 14.676 1.727 -0.607
7 H GLY 2 H GLY 2 13.724 5.815 -1.341
8 1HA GLY 2 2HA GLY 2 11.516 6.474 0.563
9 2HA GLY 2 1HA GLY 2 12.621 7.739 0.021
10 H GLU 3 H GLU 3 10.461 5.219 -1.317
11 HA GLU 3 HA GLU 3 9.819 7.100 -3.564
12 1HB GLU 3 2HB GLU 3 10.987 4.570 -3.595
13 2HB GLU 3 1HB GLU 3 9.301 4.254 -4.006
14 1HG GLU 3 2HG GLU 3 10.671 6.550 -5.353
15 2HG GLU 3 1HG GLU 3 11.068 4.916 -5.883
16 H CYS 4 H CYS 4 7.561 6.643 -4.491
17 HA CYS 4 HA CYS 4 5.666 5.822 -2.313
18 1HB CYS 4 2HB CYS 4 4.905 7.945 -2.400
19 2HB CYS 4 1HB CYS 4 6.051 8.322 -3.679
20 H GLY 5 H GLY 5 3.665 4.858 -3.082
21 1HA GLY 5 2HA GLY 5 4.018 3.395 -5.631
22 2HA GLY 5 1HA GLY 5 2.861 2.991 -4.362
23 H GLY 6 H GLY 6 0.805 3.371 -4.969
24 1HA GLY 6 2HA GLY 6 0.156 5.895 -6.387
25 2HA GLY 6 1HA GLY 6 -0.339 4.382 -7.147
26 H PHE 7 H PHE 7 -2.598 4.838 -6.884
27 HA PHE 7 HA PHE 7 -3.648 5.287 -4.154
28 1HB PHE 7 2HB PHE 7 -5.511 6.054 -5.268
29 2HB PHE 7 1HB PHE 7 -4.368 6.183 -6.601
30 HD1 PHE 7 HD1 PHE 7 -4.204 4.264 -8.270
31 HD2 PHE 7 HD2 PHE 7 -7.351 4.560 -5.360
32 HE1 PHE 7 HE1 PHE 7 -5.565 2.659 -9.578
33 HE2 PHE 7 HE2 PHE 7 -8.713 2.953 -6.669
34 HZ PHE 7 HZ PHE 7 -7.820 2.002 -8.777
35 H TRP 8 H TRP 8 -3.038 2.593 -6.255
36 HA TRP 8 HA TRP 8 -4.113 0.728 -4.252
37 1HB TRP 8 2HB TRP 8 -5.931 1.640 -5.965
38 2HB TRP 8 1HB TRP 8 -5.207 0.439 -7.033
39 HD1 TRP 8 HD1 TRP 8 -5.059 -2.128 -5.963
40 HE1 TRP 8 HE1 TRP 8 -6.785 -3.348 -4.488
41 HE3 TRP 8 HE3 TRP 8 -7.739 1.869 -4.259
42 HZ2 TRP 8 HZ2 TRP 8 -9.012 -2.710 -2.808
43 HZ3 TRP 8 HZ3 TRP 8 -9.655 1.537 -2.723
44 HH2 TRP 8 HH2 TRP 8 -10.294 -0.746 -1.996
45 H TRP 9 H TRP 9 -1.585 0.599 -4.596
46 HA TRP 9 HA TRP 9 -0.837 -1.046 -6.965
47 1HB TRP 9 2HB TRP 9 0.624 0.463 -4.790
48 2HB TRP 9 1HB TRP 9 1.480 -0.635 -5.873
49 HD1 TRP 9 HD1 TRP 9 -1.461 1.353 -7.227
50 HE1 TRP 9 HE1 TRP 9 -0.600 3.112 -8.892
51 HE3 TRP 9 HE3 TRP 9 3.571 0.895 -6.477
52 HZ2 TRP 9 HZ2 TRP 9 1.882 4.194 -9.788
53 HZ3 TRP 9 HZ3 TRP 9 5.156 2.309 -7.753
54 HH2 TRP 9 HH2 TRP 9 4.320 3.953 -9.408
55 H LYS 10 H LYS 10 0.795 -2.906 -6.360
56 HA LYS 10 HA LYS 10 -0.539 -4.585 -4.300
57 1HB LYS 10 2HB LYS 10 1.116 -4.947 -6.737
58 2HB LYS 10 1HB LYS 10 1.318 -6.166 -5.477
59 1HG LYS 10 2HG LYS 10 -0.714 -7.067 -5.879
60 2HG LYS 10 1HG LYS 10 -1.490 -5.484 -5.918
61 1HD LYS 10 2HD LYS 10 -1.704 -5.759 -8.147
62 2HD LYS 10 1HD LYS 10 0.044 -5.553 -8.255
63 1HE LYS 10 2HE LYS 10 -1.146 -8.259 -7.614
64 2HE LYS 10 1HE LYS 10 -0.963 -7.713 -9.291
65 1HZ LYS 10 1HZ LYS 10 1.178 -7.877 -7.233
66 2HZ LYS 10 2HZ LYS 10 1.378 -7.174 -8.767
67 3HZ LYS 10 3HZ LYS 10 1.041 -8.832 -8.628
68 H CYS 11 H CYS 11 0.423 -5.091 -2.373
69 HA CYS 11 HA CYS 11 3.354 -4.871 -2.087
70 1HB CYS 11 2HB CYS 11 3.171 -3.273 -0.247
71 2HB CYS 11 1HB CYS 11 2.341 -2.612 -1.656
72 H GLY 12 H GLY 12 4.101 -5.877 -0.037
73 1HA GLY 12 2HA GLY 12 2.264 -8.038 0.838
74 2HA GLY 12 1HA GLY 12 4.001 -7.977 1.140
75 H ARG 13 H ARG 13 4.515 -7.565 3.227
76 HA ARG 13 HA ARG 13 2.502 -6.362 5.046
77 1HB ARG 13 2HB ARG 13 3.913 -8.448 5.491
78 2HB ARG 13 1HB ARG 13 5.305 -7.374 5.623
79 1HG ARG 13 2HG ARG 13 4.754 -7.146 7.801
80 2HG ARG 13 1HG ARG 13 3.400 -6.161 7.247
81 1HD ARG 13 2HD ARG 13 1.872 -7.955 7.392
82 2HD ARG 13 1HD ARG 13 3.163 -9.173 7.371
83 HE ARG 13 HE ARG 13 2.658 -7.319 9.670
84 1HH1 ARG 13 1HH2 ARG 13 5.313 -8.945 9.002
85 2HH1 ARG 13 2HH2 ARG 13 5.163 -10.199 10.187
86 1HH2 ARG 13 1HH1 ARG 13 1.839 -9.490 10.907
87 2HH2 ARG 13 2HH1 ARG 13 3.194 -10.508 11.268
88 H GLY 14 H GLY 14 3.531 -4.534 3.095
89 1HA GLY 14 2HA GLY 14 4.082 -2.212 3.320
90 2HA GLY 14 1HA GLY 14 4.837 -2.565 4.875
91 H LYS 15 H LYS 15 5.408 -4.231 1.775
92 HA LYS 15 HA LYS 15 8.295 -3.995 2.113
93 1HB LYS 15 2HB LYS 15 6.354 -5.415 0.452
94 2HB LYS 15 1HB LYS 15 7.758 -4.887 -0.473
95 1HG LYS 15 2HG LYS 15 9.233 -6.188 0.750
96 2HG LYS 15 1HG LYS 15 8.218 -6.170 2.193
97 1HD LYS 15 2HD LYS 15 6.772 -7.820 1.353
98 2HD LYS 15 1HD LYS 15 7.270 -7.539 -0.316
99 1HE LYS 15 2HE LYS 15 9.188 -8.823 -0.104
100 2HE LYS 15 1HE LYS 15 9.360 -8.467 1.626
101 1HZ LYS 15 1HZ LYS 15 7.133 -10.069 0.481
102 2HZ LYS 15 2HZ LYS 15 7.494 -9.840 2.126
103 3HZ LYS 15 3HZ LYS 15 8.535 -10.753 1.144
104 HA PRO 16 HA PRO 16 8.083 -1.074 -1.639
105 1HB PRO 16 2HB PRO 16 5.659 -0.557 -2.803
106 2HB PRO 16 1HB PRO 16 6.679 -1.930 -3.278
107 1HG PRO 16 2HG PRO 16 4.273 -1.871 -1.531
108 2HG PRO 16 1HG PRO 16 4.786 -3.090 -2.709
109 1HD PRO 16 2HD PRO 16 5.104 -3.351 -0.001
110 2HD PRO 16 1HD PRO 16 6.130 -4.160 -1.205
111 HA PRO 17 HA PRO 17 6.788 2.165 1.143
112 1HB PRO 17 2HB PRO 17 8.094 4.241 -0.066
113 2HB PRO 17 1HB PRO 17 8.926 3.033 0.931
114 1HG PRO 17 2HG PRO 17 8.757 3.252 -2.033
115 2HG PRO 17 1HG PRO 17 10.119 2.764 -1.013
116 1HD PRO 17 2HD PRO 17 8.529 0.999 -2.375
117 2HD PRO 17 1HD PRO 17 9.412 0.589 -0.888
118 H CYS 18 H CYS 18 4.629 2.720 0.895
119 HA CYS 18 HA CYS 18 3.491 3.538 -1.670
120 1HB CYS 18 2HB CYS 18 2.428 3.561 1.179
121 2HB CYS 18 1HB CYS 18 1.445 3.818 -0.263
122 H CYS 19 H CYS 19 2.014 5.670 -1.485
123 HA CYS 19 HA CYS 19 3.885 7.900 -0.973
124 1HB CYS 19 2HB CYS 19 1.034 8.200 -1.885
125 2HB CYS 19 1HB CYS 19 2.453 9.118 -2.376
126 H LYS 20 H LYS 20 3.409 9.644 0.478
127 HA LYS 20 HA LYS 20 2.398 9.066 3.016
128 1HB LYS 20 2HB LYS 20 3.610 11.172 1.747
129 2HB LYS 20 1HB LYS 20 2.007 11.841 2.065
130 1HG LYS 20 2HG LYS 20 2.416 10.773 4.467
131 2HG LYS 20 1HG LYS 20 4.107 10.945 4.002
132 1HD LYS 20 2HD LYS 20 3.243 13.381 3.270
133 2HD LYS 20 1HD LYS 20 2.064 13.051 4.541
134 1HE LYS 20 2HE LYS 20 3.612 13.398 6.163
135 2HE LYS 20 1HE LYS 20 4.767 12.309 5.373
136 1HZ LYS 20 1HZ LYS 20 4.179 15.085 4.482
137 2HZ LYS 20 2HZ LYS 20 5.343 14.035 3.823
138 3HZ LYS 20 3HZ LYS 20 5.534 14.638 5.399
139 H GLY 21 H GLY 21 0.341 8.513 3.608
140 1HA GLY 21 2HA GLY 21 -1.983 9.455 3.877
141 2HA GLY 21 1HA GLY 21 -1.944 9.786 2.145
142 H TYR 22 H TYR 22 -0.652 7.283 1.400
143 HA TYR 22 HA TYR 22 -3.029 5.512 1.586
144 1HB TYR 22 2HB TYR 22 -0.478 5.105 0.001
145 2HB TYR 22 1HB TYR 22 -2.068 4.426 -0.323
146 HD1 TYR 22 HD1 TYR 22 -0.091 6.265 -2.047
147 HD2 TYR 22 HD2 TYR 22 -3.715 6.958 0.153
148 HE1 TYR 22 HE1 TYR 22 -0.610 8.196 -3.511
149 HE2 TYR 22 HE2 TYR 22 -4.233 8.890 -1.310
150 HH TYR 22 HH TYR 22 -2.306 10.516 -2.949
151 H ALA 23 H ALA 23 -2.835 3.309 2.286
152 HA ALA 23 HA ALA 23 -0.377 2.680 3.895
153 1HB ALA 23 1HB ALA 23 -1.709 2.367 5.710
154 2HB ALA 23 2HB ALA 23 -2.919 1.493 4.769
155 3HB ALA 23 3HB ALA 23 -2.930 3.257 4.802
156 H CYS 24 H CYS 24 0.309 0.498 3.810
157 HA CYS 24 HA CYS 24 -0.720 -1.071 1.523
158 1HB CYS 24 2HB CYS 24 1.660 -0.811 1.728
159 2HB CYS 24 1HB CYS 24 1.628 -1.287 3.423
160 H SER 25 H SER 25 -1.224 -3.368 1.796
161 HA SER 25 HA SER 25 -2.057 -4.187 4.541
162 1HB SER 25 2HB SER 25 -3.716 -3.945 2.031
163 2HB SER 25 1HB SER 25 -4.210 -4.987 3.361
164 HG SER 25 HG SER 25 -4.136 -2.225 3.169
165 H LYS 26 H LYS 26 -1.015 -6.126 4.872
166 HA LYS 26 HA LYS 26 -0.094 -7.804 2.676
167 1HB LYS 26 2HB LYS 26 1.137 -7.689 4.761
168 2HB LYS 26 1HB LYS 26 -0.293 -8.142 5.686
169 1HG LYS 26 2HG LYS 26 0.199 -10.321 5.423
170 2HG LYS 26 1HG LYS 26 0.155 -10.136 3.671
171 1HD LYS 26 2HD LYS 26 2.573 -8.958 4.410
172 2HD LYS 26 1HD LYS 26 2.458 -10.383 5.443
173 1HE LYS 26 2HE LYS 26 1.947 -10.517 2.455
174 2HE LYS 26 1HE LYS 26 3.553 -10.774 3.160
175 1HZ LYS 26 1HZ LYS 26 1.065 -12.275 3.782
176 2HZ LYS 26 2HZ LYS 26 2.502 -12.419 4.679
177 3HZ LYS 26 3HZ LYS 26 2.465 -12.883 3.046
178 H THR 27 H THR 27 -2.781 -7.909 4.997
179 HA THR 27 HA THR 27 -3.842 -10.480 4.301
180 HB THR 27 HB THR 27 -5.393 -8.025 5.184
181 HG1 THR 27 HG1 THR 27 -4.178 -8.013 6.874
182 1HG2 THR 27 1HG2 THR 27 -5.690 -10.978 5.803
183 2HG2 THR 27 2HG2 THR 27 -6.702 -10.057 4.690
184 3HG2 THR 27 3HG2 THR 27 -6.728 -9.690 6.415
185 H TRP 28 H TRP 28 -4.432 -7.215 3.038
186 HA TRP 28 HA TRP 28 -6.426 -8.091 1.071
187 1HB TRP 28 2HB TRP 28 -4.858 -5.513 1.452
188 2HB TRP 28 1HB TRP 28 -6.240 -5.697 0.382
189 HD1 TRP 28 HD1 TRP 28 -7.098 -7.752 3.203
190 HE1 TRP 28 HE1 TRP 28 -8.547 -6.500 4.922
191 HE3 TRP 28 HE3 TRP 28 -6.377 -2.939 1.637
192 HZ2 TRP 28 HZ2 TRP 28 -9.310 -3.824 5.550
193 HZ3 TRP 28 HZ3 TRP 28 -7.482 -1.060 2.819
194 HH2 TRP 28 HH2 TRP 28 -8.945 -1.498 4.772
195 H GLY 29 H GLY 29 -2.984 -7.199 1.092
196 1HA GLY 29 2HA GLY 29 -1.337 -8.154 -0.367
197 2HA GLY 29 1HA GLY 29 -2.620 -8.612 -1.485
198 H TRP 30 H TRP 30 -2.902 -5.365 -0.328
199 HA TRP 30 HA TRP 30 -1.268 -4.263 -2.542
200 1HB TRP 30 2HB TRP 30 -3.127 -3.342 -3.723
201 2HB TRP 30 1HB TRP 30 -3.570 -5.009 -3.378
202 HD1 TRP 30 HD1 TRP 30 -4.100 -1.483 -1.874
203 HE1 TRP 30 HE1 TRP 30 -6.413 -1.432 -0.759
204 HE3 TRP 30 HE3 TRP 30 -5.529 -6.335 -2.578
205 HZ2 TRP 30 HZ2 TRP 30 -8.598 -3.208 -0.236
206 HZ3 TRP 30 HZ3 TRP 30 -7.732 -7.126 -1.765
207 HH2 TRP 30 HH2 TRP 30 -9.266 -5.568 -0.596
208 H CYS 31 H CYS 31 -1.674 -1.750 -2.589
209 HA CYS 31 HA CYS 31 -1.895 -0.733 0.220
210 1HB CYS 31 2HB CYS 31 0.440 -0.961 -0.753
211 2HB CYS 31 1HB CYS 31 -0.025 0.218 -1.975
212 H ALA 32 H ALA 32 -3.546 0.719 0.349
213 HA ALA 32 HA ALA 32 -4.059 2.543 -1.967
214 1HB ALA 32 1HB ALA 32 -6.498 2.065 -1.638
215 2HB ALA 32 2HB ALA 32 -6.062 0.837 -0.447
216 3HB ALA 32 3HB ALA 32 -5.588 0.638 -2.134
217 H VAL 33 H VAL 33 -5.927 4.170 -1.089
218 HA VAL 33 HA VAL 33 -4.759 5.693 1.045
219 HB VAL 33 HB VAL 33 -7.612 5.762 0.000
220 1HG1 VAL 33 1HG1 VAL 33 -5.798 7.869 1.214
221 2HG1 VAL 33 2HG1 VAL 33 -7.232 7.167 1.966
222 3HG1 VAL 33 3HG1 VAL 33 -7.395 8.187 0.536
223 1HG2 VAL 33 1HG2 VAL 33 -6.777 6.359 -2.010
224 2HG2 VAL 33 2HG2 VAL 33 -5.132 6.177 -1.401
225 3HG2 VAL 33 3HG2 VAL 33 -5.963 7.724 -1.247
226 H GLU 34 H GLU 34 -5.676 6.102 3.192
227 HA GLU 34 HA GLU 34 -6.296 3.826 4.752
228 1HB GLU 34 2HB GLU 34 -6.603 6.803 5.023
229 2HB GLU 34 1HB GLU 34 -7.280 5.764 6.276
230 1HG GLU 34 2HG GLU 34 -4.410 5.548 5.325
231 2HG GLU 34 1HG GLU 34 -4.900 6.540 6.699
232 H ALA 35 H ALA 35 -8.041 2.545 4.070
233 HA ALA 35 HA ALA 35 -10.748 3.598 4.539
234 1HB ALA 35 1HB ALA 35 -11.466 3.114 2.207
235 2HB ALA 35 2HB ALA 35 -9.800 2.707 1.794
236 3HB ALA 35 3HB ALA 35 -10.215 4.358 2.255
237 HA PRO 36 HA PRO 36 -11.284 -0.661 5.583
238 1HB PRO 36 2HB PRO 36 -14.021 -0.810 5.466
239 2HB PRO 36 1HB PRO 36 -13.148 -0.012 6.790
240 1HG PRO 36 2HG PRO 36 -14.480 1.187 4.408
241 2HG PRO 36 1HG PRO 36 -14.450 1.750 6.088
242 1HD PRO 36 2HD PRO 36 -12.891 2.823 4.144
243 2HD PRO 36 1HD PRO 36 -12.404 2.761 5.852
Start of MODEL 20
1 1H ASP 1 1H ASP 1 13.239 7.426 -7.409
2 2H ASP 1 2H ASP 1 14.364 8.421 -6.613
3 3H ASP 1 3H ASP 1 14.249 8.452 -8.306
4 HA ASP 1 HA ASP 1 13.171 10.404 -7.304
5 1HB ASP 1 2HB ASP 1 12.112 8.392 -9.118
6 2HB ASP 1 1HB ASP 1 10.802 9.290 -8.354
7 H GLY 2 H GLY 2 13.356 9.584 -4.866
8 1HA GLY 2 2HA GLY 2 12.211 9.527 -2.812
9 2HA GLY 2 1HA GLY 2 10.710 9.778 -3.705
10 H GLU 3 H GLU 3 9.685 8.160 -2.337
11 HA GLU 3 HA GLU 3 9.958 5.438 -3.423
12 1HB GLU 3 2HB GLU 3 11.363 6.296 -1.081
13 2HB GLU 3 1HB GLU 3 10.108 5.166 -0.573
14 1HG GLU 3 2HG GLU 3 10.936 3.441 -1.974
15 2HG GLU 3 1HG GLU 3 11.920 4.564 -2.913
16 H CYS 4 H CYS 4 7.713 5.942 -4.003
17 HA CYS 4 HA CYS 4 5.827 5.419 -1.759
18 1HB CYS 4 2HB CYS 4 5.372 7.641 -1.734
19 2HB CYS 4 1HB CYS 4 6.202 7.913 -3.261
20 H GLY 5 H GLY 5 3.806 4.529 -2.495
21 1HA GLY 5 2HA GLY 5 3.996 3.213 -5.142
22 2HA GLY 5 1HA GLY 5 2.901 2.749 -3.840
23 H GLY 6 H GLY 6 0.849 3.068 -4.551
24 1HA GLY 6 2HA GLY 6 0.101 5.768 -5.514
25 2HA GLY 6 1HA GLY 6 -0.273 4.409 -6.572
26 H PHE 7 H PHE 7 -2.570 4.826 -6.304
27 HA PHE 7 HA PHE 7 -3.800 4.733 -3.648
28 1HB PHE 7 2HB PHE 7 -4.703 6.065 -5.510
29 2HB PHE 7 1HB PHE 7 -4.923 4.600 -6.469
30 HD1 PHE 7 HD1 PHE 7 -6.748 3.072 -6.035
31 HD2 PHE 7 HD2 PHE 7 -6.094 6.472 -3.489
32 HE1 PHE 7 HE1 PHE 7 -8.967 2.715 -4.988
33 HE2 PHE 7 HE2 PHE 7 -8.315 6.113 -2.442
34 HZ PHE 7 HZ PHE 7 -9.750 4.233 -3.190
35 H TRP 8 H TRP 8 -3.165 2.416 -6.244
36 HA TRP 8 HA TRP 8 -4.023 0.217 -4.441
37 1HB TRP 8 2HB TRP 8 -6.035 0.838 -5.666
38 2HB TRP 8 1HB TRP 8 -5.160 0.809 -7.193
39 HD1 TRP 8 HD1 TRP 8 -5.130 -1.840 -4.372
40 HE1 TRP 8 HE1 TRP 8 -5.837 -4.102 -5.387
41 HE3 TRP 8 HE3 TRP 8 -6.216 -0.369 -9.143
42 HZ2 TRP 8 HZ2 TRP 8 -6.741 -5.149 -7.890
43 HZ3 TRP 8 HZ3 TRP 8 -7.001 -2.017 -10.818
44 HH2 TRP 8 HH2 TRP 8 -7.265 -4.403 -10.199
45 H TRP 9 H TRP 9 -1.566 0.123 -4.574
46 HA TRP 9 HA TRP 9 -0.559 -1.116 -7.111
47 1HB TRP 9 2HB TRP 9 0.700 0.268 -4.725
48 2HB TRP 9 1HB TRP 9 1.672 -0.632 -5.885
49 HD1 TRP 9 HD1 TRP 9 -1.368 1.388 -7.026
50 HE1 TRP 9 HE1 TRP 9 -0.561 3.359 -8.468
51 HE3 TRP 9 HE3 TRP 9 3.680 0.964 -6.369
52 HZ2 TRP 9 HZ2 TRP 9 1.881 4.601 -9.229
53 HZ3 TRP 9 HZ3 TRP 9 5.220 2.560 -7.471
54 HH2 TRP 9 HH2 TRP 9 4.331 4.375 -8.905
55 H LYS 10 H LYS 10 1.295 -2.854 -6.469
56 HA LYS 10 HA LYS 10 -0.081 -4.863 -4.775
57 1HB LYS 10 2HB LYS 10 1.987 -4.788 -6.901
58 2HB LYS 10 1HB LYS 10 2.175 -6.062 -5.697
59 1HG LYS 10 2HG LYS 10 0.646 -7.239 -6.864
60 2HG LYS 10 1HG LYS 10 -0.555 -6.092 -6.272
61 1HD LYS 10 2HD LYS 10 1.065 -5.279 -8.647
62 2HD LYS 10 1HD LYS 10 -0.173 -6.511 -8.893
63 1HE LYS 10 2HE LYS 10 -1.829 -4.964 -8.779
64 2HE LYS 10 1HE LYS 10 -1.186 -4.309 -7.261
65 1HZ LYS 10 1HZ LYS 10 0.532 -3.159 -8.546
66 2HZ LYS 10 2HZ LYS 10 -1.022 -2.662 -9.017
67 3HZ LYS 10 3HZ LYS 10 -0.143 -3.742 -9.990
68 H CYS 11 H CYS 11 0.613 -5.434 -2.752
69 HA CYS 11 HA CYS 11 3.382 -4.853 -1.908
70 1HB CYS 11 2HB CYS 11 2.147 -2.783 -1.477
71 2HB CYS 11 1HB CYS 11 0.896 -3.679 -0.618
72 H GLY 12 H GLY 12 3.842 -5.877 0.234
73 1HA GLY 12 2HA GLY 12 2.128 -8.281 0.665
74 2HA GLY 12 1HA GLY 12 3.823 -8.146 1.140
75 H ARG 13 H ARG 13 4.091 -7.881 3.304
76 HA ARG 13 HA ARG 13 1.836 -6.881 4.957
77 1HB ARG 13 2HB ARG 13 3.753 -8.850 5.219
78 2HB ARG 13 1HB ARG 13 4.424 -7.557 6.212
79 1HG ARG 13 2HG ARG 13 1.516 -8.195 6.508
80 2HG ARG 13 1HG ARG 13 2.687 -9.301 7.223
81 1HD ARG 13 2HD ARG 13 3.766 -7.156 8.244
82 2HD ARG 13 1HD ARG 13 2.207 -6.394 7.876
83 HE ARG 13 HE ARG 13 1.127 -8.198 9.237
84 1HH1 ARG 13 1HH1 ARG 13 4.091 -9.481 9.162
85 2HH1 ARG 13 2HH1 ARG 13 4.419 -9.432 10.861
86 1HH2 ARG 13 1HH2 ARG 13 1.729 -7.359 11.593
87 2HH2 ARG 13 2HH2 ARG 13 3.080 -8.229 12.240
88 H GLY 14 H GLY 14 3.370 -5.007 3.167
89 1HA GLY 14 2HA GLY 14 3.679 -2.641 3.651
90 2HA GLY 14 1HA GLY 14 4.209 -3.076 5.274
91 H LYS 15 H LYS 15 5.317 -4.604 2.257
92 HA LYS 15 HA LYS 15 8.102 -4.227 3.027
93 1HB LYS 15 2HB LYS 15 6.512 -5.625 0.971
94 2HB LYS 15 1HB LYS 15 8.118 -5.127 0.439
95 1HG LYS 15 2HG LYS 15 9.163 -6.625 1.790
96 2HG LYS 15 1HG LYS 15 8.061 -6.321 3.133
97 1HD LYS 15 2HD LYS 15 7.089 -8.302 2.671
98 2HD LYS 15 1HD LYS 15 6.483 -7.577 1.182
99 1HE LYS 15 2HE LYS 15 7.679 -9.523 0.470
100 2HE LYS 15 1HE LYS 15 8.797 -8.180 0.172
101 1HZ LYS 15 1HZ LYS 15 8.764 -9.497 2.811
102 2HZ LYS 15 2HZ LYS 15 10.029 -8.660 2.043
103 3HZ LYS 15 3HZ LYS 15 9.605 -10.223 1.529
104 HA PRO 16 HA PRO 16 8.328 -1.286 -0.720
105 1HB PRO 16 2HB PRO 16 6.039 -0.760 -2.133
106 2HB PRO 16 1HB PRO 16 7.131 -2.103 -2.527
107 1HG PRO 16 2HG PRO 16 4.557 -2.133 -1.028
108 2HG PRO 16 1HG PRO 16 5.191 -3.295 -2.205
109 1HD PRO 16 2HD PRO 16 5.262 -3.715 0.484
110 2HD PRO 16 1HD PRO 16 6.463 -4.388 -0.638
111 HA PRO 17 HA PRO 17 6.781 1.931 1.933
112 1HB PRO 17 2HB PRO 17 8.113 4.029 0.785
113 2HB PRO 17 1HB PRO 17 8.899 2.851 1.854
114 1HG PRO 17 2HG PRO 17 8.927 3.025 -1.115
115 2HG PRO 17 1HG PRO 17 10.228 2.584 0.002
116 1HD PRO 17 2HD PRO 17 8.792 0.764 -1.436
117 2HD PRO 17 1HD PRO 17 9.555 0.401 0.128
118 H CYS 18 H CYS 18 4.573 2.143 1.376
119 HA CYS 18 HA CYS 18 3.663 3.165 -1.190
120 1HB CYS 18 2HB CYS 18 2.364 2.769 1.529
121 2HB CYS 18 1HB CYS 18 1.469 3.256 0.091
122 H CYS 19 H CYS 19 2.276 5.271 -1.228
123 HA CYS 19 HA CYS 19 3.884 7.513 -0.462
124 1HB CYS 19 2HB CYS 19 1.406 6.945 -1.834
125 2HB CYS 19 1HB CYS 19 1.193 8.345 -0.782
126 H LYS 20 H LYS 20 3.638 9.009 1.255
127 HA LYS 20 HA LYS 20 3.028 8.094 3.821
128 1HB LYS 20 2HB LYS 20 3.930 10.427 2.583
129 2HB LYS 20 1HB LYS 20 2.485 10.941 3.455
130 1HG LYS 20 2HG LYS 20 3.357 10.305 5.535
131 2HG LYS 20 1HG LYS 20 4.522 9.194 4.816
132 1HD LYS 20 2HD LYS 20 6.077 10.817 4.596
133 2HD LYS 20 1HD LYS 20 4.911 11.937 3.891
134 1HE LYS 20 2HE LYS 20 4.782 11.364 6.843
135 2HE LYS 20 1HE LYS 20 5.981 12.517 6.227
136 1HZ LYS 20 1HZ LYS 20 3.884 13.632 6.702
137 2HZ LYS 20 2HZ LYS 20 3.061 12.576 5.656
138 3HZ LYS 20 3HZ LYS 20 4.210 13.664 5.036
139 H GLY 21 H GLY 21 1.098 7.455 4.674
140 1HA GLY 21 2HA GLY 21 -1.157 8.187 5.421
141 2HA GLY 21 1HA GLY 21 -1.380 8.907 3.827
142 H TYR 22 H TYR 22 0.001 6.430 2.641
143 HA TYR 22 HA TYR 22 -2.464 4.823 2.357
144 1HB TYR 22 2HB TYR 22 0.291 4.737 1.075
145 2HB TYR 22 1HB TYR 22 -1.049 3.700 0.602
146 HD1 TYR 22 HD1 TYR 22 -2.638 6.636 1.521
147 HD2 TYR 22 HD2 TYR 22 -0.067 5.108 -1.568
148 HE1 TYR 22 HE1 TYR 22 -3.446 8.393 -0.026
149 HE2 TYR 22 HE2 TYR 22 -0.881 6.866 -3.111
150 HH TYR 22 HH TYR 22 -3.433 8.369 -2.997
151 H ALA 23 H ALA 23 -2.409 2.481 2.654
152 HA ALA 23 HA ALA 23 -0.254 1.486 4.485
153 1HB ALA 23 1HB ALA 23 -1.858 1.625 6.094
154 2HB ALA 23 2HB ALA 23 -2.596 0.235 5.294
155 3HB ALA 23 3HB ALA 23 -3.137 1.868 4.906
156 H CYS 24 H CYS 24 0.138 -0.791 4.292
157 HA CYS 24 HA CYS 24 -0.626 -1.927 1.671
158 1HB CYS 24 2HB CYS 24 1.352 -2.458 3.857
159 2HB CYS 24 1HB CYS 24 0.979 -3.757 2.725
160 H SER 25 H SER 25 -1.275 -4.286 1.621
161 HA SER 25 HA SER 25 -2.965 -5.053 3.974
162 1HB SER 25 2HB SER 25 -3.695 -5.251 1.037
163 2HB SER 25 1HB SER 25 -4.738 -5.630 2.406
164 HG SER 25 HG SER 25 -4.276 -3.266 1.231
165 H LYS 26 H LYS 26 -1.705 -6.789 4.676
166 HA LYS 26 HA LYS 26 -0.289 -8.630 2.994
167 1HB LYS 26 2HB LYS 26 0.080 -8.147 5.423
168 2HB LYS 26 1HB LYS 26 -1.424 -8.991 5.787
169 1HG LYS 26 2HG LYS 26 -0.448 -11.013 4.601
170 2HG LYS 26 1HG LYS 26 1.092 -10.154 4.573
171 1HD LYS 26 2HD LYS 26 1.478 -10.930 6.651
172 2HD LYS 26 1HD LYS 26 0.161 -9.902 7.214
173 1HE LYS 26 2HE LYS 26 -1.194 -12.071 6.138
174 2HE LYS 26 1HE LYS 26 0.225 -12.822 6.896
175 1HZ LYS 26 1HZ LYS 26 -0.217 -11.444 8.884
176 2HZ LYS 26 2HZ LYS 26 -1.473 -12.540 8.553
177 3HZ LYS 26 3HZ LYS 26 -1.654 -10.896 8.165
178 H THR 27 H THR 27 -3.615 -8.595 4.214
179 HA THR 27 HA THR 27 -4.190 -11.353 3.378
180 HB THR 27 HB THR 27 -6.020 -9.083 4.220
181 HG1 THR 27 HG1 THR 27 -5.430 -9.503 6.197
182 1HG2 THR 27 1HG2 THR 27 -6.377 -11.979 3.675
183 2HG2 THR 27 2HG2 THR 27 -7.539 -10.657 3.559
184 3HG2 THR 27 3HG2 THR 27 -7.163 -11.364 5.130
185 H TRP 28 H TRP 28 -4.808 -8.083 2.138
186 HA TRP 28 HA TRP 28 -6.500 -9.008 -0.067
187 1HB TRP 28 2HB TRP 28 -5.108 -6.365 0.490
188 2HB TRP 28 1HB TRP 28 -6.384 -6.611 -0.694
189 HD1 TRP 28 HD1 TRP 28 -7.559 -8.750 1.851
190 HE1 TRP 28 HE1 TRP 28 -9.141 -7.586 3.513
191 HE3 TRP 28 HE3 TRP 28 -6.503 -3.859 0.808
192 HZ2 TRP 28 HZ2 TRP 28 -9.876 -4.942 4.294
193 HZ3 TRP 28 HZ3 TRP 28 -7.664 -2.041 2.027
194 HH2 TRP 28 HH2 TRP 28 -9.348 -2.577 3.768
195 H GLY 29 H GLY 29 -3.137 -7.851 0.276
196 1HA GLY 29 2HA GLY 29 -1.331 -8.807 -1.046
197 2HA GLY 29 1HA GLY 29 -2.499 -9.195 -2.305
198 H TRP 30 H TRP 30 -2.819 -6.022 -0.940
199 HA TRP 30 HA TRP 30 -1.048 -4.795 -2.969
200 1HB TRP 30 2HB TRP 30 -2.835 -3.721 -4.149
201 2HB TRP 30 1HB TRP 30 -3.280 -5.414 -4.010
202 HD1 TRP 30 HD1 TRP 30 -3.896 -2.119 -2.071
203 HE1 TRP 30 HE1 TRP 30 -6.300 -2.162 -1.179
204 HE3 TRP 30 HE3 TRP 30 -5.335 -6.763 -3.642
205 HZ2 TRP 30 HZ2 TRP 30 -8.559 -3.925 -1.137
206 HZ3 TRP 30 HZ3 TRP 30 -7.625 -7.592 -3.167
207 HH2 TRP 30 HH2 TRP 30 -9.234 -6.179 -1.916
208 H CYS 31 H CYS 31 -1.457 -2.248 -2.819
209 HA CYS 31 HA CYS 31 -1.675 -1.524 0.092
210 1HB CYS 31 2HB CYS 31 0.626 -1.514 -1.004
211 2HB CYS 31 1HB CYS 31 0.043 -0.215 -2.045
212 H ALA 32 H ALA 32 -3.072 0.175 0.539
213 HA ALA 32 HA ALA 32 -3.941 1.978 -1.667
214 1HB ALA 32 1HB ALA 32 -5.648 0.093 -0.032
215 2HB ALA 32 2HB ALA 32 -5.561 0.234 -1.787
216 3HB ALA 32 3HB ALA 32 -6.339 1.501 -0.838
217 H VAL 33 H VAL 33 -5.644 3.614 -0.555
218 HA VAL 33 HA VAL 33 -4.193 4.929 1.609
219 HB VAL 33 HB VAL 33 -6.979 5.511 0.552
220 1HG1 VAL 33 1HG1 VAL 33 -6.700 7.060 2.221
221 2HG1 VAL 33 2HG1 VAL 33 -5.778 7.901 0.975
222 3HG1 VAL 33 3HG1 VAL 33 -4.943 6.932 2.188
223 1HG2 VAL 33 1HG2 VAL 33 -5.886 5.605 -1.468
224 2HG2 VAL 33 2HG2 VAL 33 -4.302 5.794 -0.718
225 3HG2 VAL 33 3HG2 VAL 33 -5.381 7.181 -0.859
226 H GLU 34 H GLU 34 -4.981 5.259 3.772
227 HA GLU 34 HA GLU 34 -6.299 2.993 4.984
228 1HB GLU 34 2HB GLU 34 -5.530 5.772 5.908
229 2HB GLU 34 1HB GLU 34 -6.218 4.568 6.998
230 1HG GLU 34 2HG GLU 34 -4.368 2.996 6.285
231 2HG GLU 34 1HG GLU 34 -3.633 4.351 5.432
232 H ALA 35 H ALA 35 -7.463 6.078 3.762
233 HA ALA 35 HA ALA 35 -9.963 6.217 5.162
234 1HB ALA 35 1HB ALA 35 -9.044 7.213 2.446
235 2HB ALA 35 2HB ALA 35 -8.972 8.098 3.969
236 3HB ALA 35 3HB ALA 35 -10.533 7.733 3.234
237 HA PRO 36 HA PRO 36 -12.274 3.041 3.156
238 1HB PRO 36 2HB PRO 36 -14.803 4.049 3.445
239 2HB PRO 36 1HB PRO 36 -13.883 3.341 4.785
240 1HG PRO 36 2HG PRO 36 -14.321 6.204 4.094
241 2HG PRO 36 1HG PRO 36 -14.274 5.418 5.681
242 1HD PRO 36 2HD PRO 36 -12.195 6.850 4.655
243 2HD PRO 36 1HD PRO 36 -11.991 5.512 5.808