Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
9201 | 1nix RC | 5675 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1H GLU 1 -7.217 7.569 -7.134
2 2H GLU 1 2H GLU 1 -8.406 8.763 -6.914
3 3H GLU 1 3H GLU 1 -8.370 7.398 -5.904
4 HA GLU 1 HA GLU 1 -6.081 9.277 -6.031
5 1HB GLU 1 2HB GLU 1 -7.157 10.445 -4.123
6 2HB GLU 1 1HB GLU 1 -8.152 10.536 -5.574
7 1HG GLU 1 2HG GLU 1 -8.790 8.146 -4.055
8 2HG GLU 1 1HG GLU 1 -8.943 9.583 -3.046
9 H CYS 2 H CYS 2 -5.557 6.646 -5.854
10 HA CYS 2 HA CYS 2 -5.055 6.208 -2.934
11 1HB CYS 2 2HB CYS 2 -5.580 3.778 -3.403
12 2HB CYS 2 1HB CYS 2 -6.964 4.857 -3.556
13 H LYS 3 H LYS 3 -3.420 4.204 -2.794
14 HA LYS 3 HA LYS 3 -1.108 4.921 -4.517
15 1HB LYS 3 2HB LYS 3 -1.373 3.096 -2.100
16 2HB LYS 3 1HB LYS 3 0.143 3.640 -2.817
17 1HG LYS 3 2HG LYS 3 -1.955 5.536 -1.724
18 2HG LYS 3 1HG LYS 3 -0.589 4.952 -0.777
19 1HD LYS 3 2HD LYS 3 0.851 6.367 -1.793
20 2HD LYS 3 1HD LYS 3 0.230 5.970 -3.395
21 1HE LYS 3 2HE LYS 3 -1.140 7.796 -3.437
22 2HE LYS 3 1HE LYS 3 -1.636 7.567 -1.749
23 1HZ LYS 3 1HZ LYS 3 -0.286 9.543 -1.924
24 2HZ LYS 3 2HZ LYS 3 0.959 8.677 -2.688
25 3HZ LYS 3 3HZ LYS 3 0.573 8.359 -1.064
26 H GLY 4 H GLY 4 -0.412 3.590 -6.162
27 1HA GLY 4 2HA GLY 4 -1.936 1.152 -6.752
28 2HA GLY 4 1HA GLY 4 -0.673 1.855 -7.762
29 H PHE 5 H PHE 5 1.586 1.495 -7.088
30 HA PHE 5 HA PHE 5 2.044 -0.662 -5.099
31 1HB PHE 5 2HB PHE 5 1.496 -1.829 -7.177
32 2HB PHE 5 1HB PHE 5 2.662 -0.849 -8.067
33 HD1 PHE 5 HD1 PHE 5 4.705 -1.860 -8.518
34 HD2 PHE 5 HD2 PHE 5 2.597 -2.925 -4.929
35 HE1 PHE 5 HE1 PHE 5 6.505 -3.461 -7.935
36 HE2 PHE 5 HE2 PHE 5 4.398 -4.527 -4.347
37 HZ PHE 5 HZ PHE 5 6.353 -4.794 -5.850
38 H GLY 6 H GLY 6 3.940 -0.246 -4.034
39 1HA GLY 6 2HA GLY 6 6.143 0.507 -3.656
40 2HA GLY 6 1HA GLY 6 6.267 0.891 -5.373
41 H LYS 7 H LYS 7 3.737 2.088 -3.200
42 HA LYS 7 HA LYS 7 4.874 4.851 -3.503
43 1HB LYS 7 2HB LYS 7 2.516 3.734 -4.552
44 2HB LYS 7 1HB LYS 7 1.985 4.709 -3.183
45 1HG LYS 7 2HG LYS 7 3.878 5.740 -5.310
46 2HG LYS 7 1HG LYS 7 2.129 5.958 -5.385
47 1HD LYS 7 2HD LYS 7 2.231 7.053 -3.127
48 2HD LYS 7 1HD LYS 7 3.990 6.962 -3.212
49 1HE LYS 7 2HE LYS 7 2.681 8.149 -5.599
50 2HE LYS 7 1HE LYS 7 2.576 9.110 -4.111
51 1HZ LYS 7 1HZ LYS 7 4.945 8.865 -3.796
52 2HZ LYS 7 2HZ LYS 7 4.650 9.532 -5.330
53 3HZ LYS 7 3HZ LYS 7 5.071 7.893 -5.182
54 H SER 8 H SER 8 5.205 5.859 -1.567
55 HA SER 8 HA SER 8 4.924 4.711 0.972
56 1HB SER 8 2HB SER 8 5.136 7.085 1.751
57 2HB SER 8 1HB SER 8 6.274 6.682 0.470
58 HG SER 8 HG SER 8 5.406 8.277 -0.576
59 H CYS 9 H CYS 9 3.171 4.257 2.234
60 HA CYS 9 HA CYS 9 0.724 5.944 2.040
61 1HB CYS 9 2HB CYS 9 -0.664 4.032 1.567
62 2HB CYS 9 1HB CYS 9 0.670 3.981 0.416
63 H VAL 10 H VAL 10 -0.925 4.980 3.786
64 HA VAL 10 HA VAL 10 0.668 4.397 6.263
65 HB VAL 10 HB VAL 10 -1.944 5.870 5.794
66 1HG1 VAL 10 1HG1 VAL 10 -2.146 4.776 7.916
67 2HG1 VAL 10 2HG1 VAL 10 -1.683 6.443 8.259
68 3HG1 VAL 10 3HG1 VAL 10 -0.478 5.157 8.343
69 1HG2 VAL 10 1HG2 VAL 10 -0.576 7.784 6.739
70 2HG2 VAL 10 2HG2 VAL 10 -0.057 7.220 5.151
71 3HG2 VAL 10 3HG2 VAL 10 0.843 6.747 6.592
72 HA PRO 11 HA PRO 11 -1.726 0.594 6.002
73 1HB PRO 11 2HB PRO 11 -0.377 -0.708 7.996
74 2HB PRO 11 1HB PRO 11 0.246 -0.567 6.340
75 1HG PRO 11 2HG PRO 11 0.994 0.952 8.779
76 2HG PRO 11 1HG PRO 11 2.003 0.411 7.429
77 1HD PRO 11 2HD PRO 11 1.094 2.985 7.748
78 2HD PRO 11 1HD PRO 11 1.560 2.270 6.190
79 H GLY 12 H GLY 12 -3.605 0.111 7.117
80 1HA GLY 12 2HA GLY 12 -4.379 -0.222 9.612
81 2HA GLY 12 1HA GLY 12 -4.060 1.510 9.708
82 H LYS 13 H LYS 13 -5.086 2.653 7.582
83 HA LYS 13 HA LYS 13 -7.987 1.983 7.699
84 1HB LYS 13 2HB LYS 13 -6.271 4.357 7.268
85 2HB LYS 13 1HB LYS 13 -7.749 4.322 6.306
86 1HG LYS 13 2HG LYS 13 -9.132 4.352 8.180
87 2HG LYS 13 1HG LYS 13 -7.891 3.671 9.233
88 1HD LYS 13 2HD LYS 13 -6.675 5.742 9.280
89 2HD LYS 13 1HD LYS 13 -7.674 6.427 7.998
90 1HE LYS 13 2HE LYS 13 -9.548 5.686 9.916
91 2HE LYS 13 1HE LYS 13 -8.197 6.311 10.880
92 1HZ LYS 13 1HZ LYS 13 -9.618 8.126 10.167
93 2HZ LYS 13 2HZ LYS 13 -9.449 7.661 8.542
94 3HZ LYS 13 3HZ LYS 13 -8.107 8.246 9.407
95 H ASN 14 H ASN 14 -5.446 1.101 5.763
96 HA ASN 14 HA ASN 14 -5.276 0.244 3.589
97 1HB ASN 14 2HB ASN 14 -8.289 0.262 3.977
98 2HB ASN 14 1HB ASN 14 -7.465 -0.569 2.660
99 1HD2 ASN 14 1HD2 ASN 14 -5.940 -2.354 3.284
100 2HD2 ASN 14 2HD2 ASN 14 -6.172 -3.168 4.755
101 H GLU 15 H GLU 15 -4.559 2.623 3.227
102 HA GLU 15 HA GLU 15 -6.439 4.304 1.697
103 1HB GLU 15 2HB GLU 15 -3.754 4.477 2.940
104 2HB GLU 15 1HB GLU 15 -3.977 5.467 1.499
105 1HG GLU 15 2HG GLU 15 -4.960 6.978 2.864
106 2HG GLU 15 1HG GLU 15 -6.333 5.875 2.900
107 H CYS 16 H CYS 16 -4.213 1.769 0.991
108 HA CYS 16 HA CYS 16 -3.245 2.573 -1.588
109 1HB CYS 16 2HB CYS 16 -3.515 0.112 0.056
110 2HB CYS 16 1HB CYS 16 -3.333 -0.146 -1.679
111 H CYS 17 H CYS 17 -3.943 1.417 -3.660
112 HA CYS 17 HA CYS 17 -6.737 1.900 -4.212
113 1HB CYS 17 2HB CYS 17 -4.550 0.421 -5.713
114 2HB CYS 17 1HB CYS 17 -6.098 0.884 -6.416
115 H SER 18 H SER 18 -8.204 0.150 -5.117
116 HA SER 18 HA SER 18 -8.636 -1.966 -3.253
117 1HB SER 18 2HB SER 18 -10.285 -2.704 -4.955
118 2HB SER 18 1HB SER 18 -10.342 -0.959 -4.726
119 HG SER 18 HG SER 18 -10.166 -1.070 -6.853
120 H GLY 19 H GLY 19 -7.484 -3.831 -3.012
121 1HA GLY 19 2HA GLY 19 -6.761 -5.965 -4.067
122 2HA GLY 19 1HA GLY 19 -6.161 -5.012 -5.425
123 H TYR 20 H TYR 20 -4.894 -2.929 -3.925
124 HA TYR 20 HA TYR 20 -2.500 -4.417 -2.961
125 1HB TYR 20 2HB TYR 20 -2.929 -1.469 -3.558
126 2HB TYR 20 1HB TYR 20 -1.378 -2.274 -3.332
127 HD1 TYR 20 HD1 TYR 20 -3.405 -0.963 -5.770
128 HD2 TYR 20 HD2 TYR 20 -1.296 -4.596 -4.878
129 HE1 TYR 20 HE1 TYR 20 -3.358 -1.526 -8.183
130 HE2 TYR 20 HE2 TYR 20 -1.249 -5.161 -7.291
131 HH TYR 20 HH TYR 20 -1.482 -3.309 -9.617
132 H ALA 21 H ALA 21 -1.575 -3.966 -0.893
133 HA ALA 21 HA ALA 21 -3.251 -2.348 0.998
134 1HB ALA 21 1HB ALA 21 -2.084 -5.128 1.352
135 2HB ALA 21 2HB ALA 21 -3.795 -4.713 1.251
136 3HB ALA 21 3HB ALA 21 -2.846 -4.201 2.646
137 H CYS 22 H CYS 22 -2.043 -1.421 2.759
138 HA CYS 22 HA CYS 22 0.722 -0.746 2.132
139 1HB CYS 22 2HB CYS 22 -1.200 -0.206 4.404
140 2HB CYS 22 1HB CYS 22 0.450 0.418 4.413
141 H ASN 23 H ASN 23 2.592 -1.563 3.088
142 HA ASN 23 HA ASN 23 2.246 -3.891 4.943
143 1HB ASN 23 2HB ASN 23 4.352 -4.669 4.003
144 2HB ASN 23 1HB ASN 23 3.278 -4.226 2.681
145 1HD2 ASN 23 1HD2 ASN 23 6.041 -4.295 2.194
146 2HD2 ASN 23 2HD2 ASN 23 6.626 -2.716 1.992
147 H SER 24 H SER 24 4.447 -4.155 6.299
148 HA SER 24 HA SER 24 4.896 -1.528 7.670
149 1HB SER 24 2HB SER 24 4.905 -4.420 8.538
150 2HB SER 24 1HB SER 24 5.589 -3.153 9.552
151 HG SER 24 HG SER 24 3.181 -3.807 9.639
152 H ARG 25 H ARG 25 6.474 -3.633 5.549
153 HA ARG 25 HA ARG 25 9.158 -3.437 6.747
154 1HB ARG 25 2HB ARG 25 7.894 -5.203 5.101
155 2HB ARG 25 1HB ARG 25 8.776 -4.242 3.914
156 1HG ARG 25 2HG ARG 25 10.876 -4.630 5.133
157 2HG ARG 25 1HG ARG 25 10.006 -5.561 6.352
158 1HD ARG 25 2HD ARG 25 9.191 -6.931 4.195
159 2HD ARG 25 1HD ARG 25 10.731 -6.325 3.552
160 HE ARG 25 HE ARG 25 11.861 -7.358 5.498
161 1HH1 ARG 25 2HH1 ARG 25 10.618 -9.677 4.138
162 2HH1 ARG 25 1HH1 ARG 25 9.759 -10.460 5.422
163 1HH2 ARG 25 1HH2 ARG 25 9.860 -7.699 7.526
164 2HH2 ARG 25 2HH2 ARG 25 9.329 -9.337 7.346
165 H ASP 26 H ASP 26 7.624 -2.246 3.725
166 HA ASP 26 HA ASP 26 9.759 -0.162 3.518
167 1HB ASP 26 2HB ASP 26 8.925 -1.978 1.722
168 2HB ASP 26 1HB ASP 26 7.765 -0.700 1.363
169 H LYS 27 H LYS 27 6.639 -0.457 4.710
170 HA LYS 27 HA LYS 27 4.924 1.081 5.185
171 1HB LYS 27 2HB LYS 27 7.526 2.510 5.139
172 2HB LYS 27 1HB LYS 27 6.097 3.541 5.090
173 1HG LYS 27 2HG LYS 27 5.482 3.015 7.218
174 2HG LYS 27 1HG LYS 27 5.962 1.326 7.044
175 1HD LYS 27 2HD LYS 27 8.095 1.713 7.780
176 2HD LYS 27 1HD LYS 27 8.171 3.312 7.038
177 1HE LYS 27 2HE LYS 27 7.287 4.362 8.892
178 2HE LYS 27 1HE LYS 27 6.262 2.975 9.314
179 1HZ LYS 27 1HZ LYS 27 8.134 3.186 10.847
180 2HZ LYS 27 2HZ LYS 27 9.226 3.064 9.551
181 3HZ LYS 27 3HZ LYS 27 8.236 1.745 9.959
182 H TRP 28 H TRP 28 5.041 0.246 2.440
183 HA TRP 28 HA TRP 28 3.881 2.669 1.143
184 1HB TRP 28 2HB TRP 28 5.173 2.267 -0.867
185 2HB TRP 28 1HB TRP 28 6.281 2.348 0.493
186 HD1 TRP 28 HD1 TRP 28 4.790 -0.929 0.843
187 HE1 TRP 28 HE1 TRP 28 6.225 -2.756 -0.266
188 HE3 TRP 28 HE3 TRP 28 7.858 1.976 -2.022
189 HZ2 TRP 28 HZ2 TRP 28 8.391 -2.963 -2.119
190 HZ3 TRP 28 HZ3 TRP 28 9.599 0.939 -3.446
191 HH2 TRP 28 HH2 TRP 28 9.870 -1.525 -3.499
192 H CYS 29 H CYS 29 3.124 1.639 -1.256
193 HA CYS 29 HA CYS 29 0.936 -0.148 -0.512
194 1HB CYS 29 2HB CYS 29 1.243 1.846 -2.295
195 2HB CYS 29 1HB CYS 29 1.598 0.478 -3.353
196 H LYS 30 H LYS 30 0.933 -2.340 -0.697
197 HA LYS 30 HA LYS 30 2.862 -3.666 -2.559
198 1HB LYS 30 2HB LYS 30 3.810 -3.516 -0.258
199 2HB LYS 30 1HB LYS 30 2.389 -4.356 0.363
200 1HG LYS 30 2HG LYS 30 2.923 -6.347 -0.881
201 2HG LYS 30 1HG LYS 30 4.199 -5.516 -1.771
202 1HD LYS 30 2HD LYS 30 4.551 -5.313 1.126
203 2HD LYS 30 1HD LYS 30 4.540 -6.985 0.566
204 1HE LYS 30 2HE LYS 30 6.105 -5.278 -1.216
205 2HE LYS 30 1HE LYS 30 6.727 -5.251 0.445
206 1HZ LYS 30 1HZ LYS 30 6.039 -7.698 -1.098
207 2HZ LYS 30 2HZ LYS 30 6.633 -7.663 0.493
208 3HZ LYS 30 3HZ LYS 30 7.612 -7.143 -0.795
209 H VAL 31 H VAL 31 1.896 -5.372 -3.639
210 HA VAL 31 HA VAL 31 -0.931 -5.848 -3.429
211 HB VAL 31 HB VAL 31 0.388 -6.160 -5.477
212 1HG1 VAL 31 1HG1 VAL 31 1.829 -8.177 -3.771
213 2HG1 VAL 31 2HG1 VAL 31 2.499 -6.939 -4.832
214 3HG1 VAL 31 3HG1 VAL 31 1.768 -8.389 -5.520
215 1HG2 VAL 31 1HG2 VAL 31 -0.590 -8.236 -6.210
216 2HG2 VAL 31 2HG2 VAL 31 -1.705 -7.517 -5.049
217 3HG2 VAL 31 3HG2 VAL 31 -0.661 -8.850 -4.558
218 H LEU 32 H LEU 32 -2.065 -7.602 -2.506
219 HA LEU 32 HA LEU 32 -1.064 -8.707 -0.058
220 1HB LEU 32 2HB LEU 32 -3.488 -8.427 -1.400
221 2HB LEU 32 1HB LEU 32 -3.252 -10.174 -1.337
222 HG LEU 32 HG LEU 32 -2.639 -9.753 1.168
223 1HD1 LEU 32 1HD1 LEU 32 -4.045 -7.203 0.356
224 2HD1 LEU 32 2HD1 LEU 32 -2.533 -7.379 1.247
225 3HD1 LEU 32 3HD1 LEU 32 -4.065 -7.785 2.021
226 1HD2 LEU 32 1HD2 LEU 32 -5.480 -9.440 0.142
227 2HD2 LEU 32 2HD2 LEU 32 -5.035 -9.938 1.775
228 3HD2 LEU 32 3HD2 LEU 32 -4.642 -10.970 0.400
229 H LEU 33 H LEU 33 -1.712 -10.298 -3.195
230 HA LEU 33 HA LEU 33 -0.281 -12.731 -2.305
231 1HB LEU 33 1HB LEU 33 -1.182 -13.661 -4.370
232 2HB LEU 33 2HB LEU 33 -2.451 -12.754 -3.551
233 HG LEU 33 HG LEU 33 -1.068 -10.911 -5.216
234 1HD1 LEU 33 1HD1 LEU 33 -0.289 -13.024 -6.389
235 2HD1 LEU 33 2HD1 LEU 33 -1.982 -13.349 -6.764
236 3HD1 LEU 33 3HD1 LEU 33 -1.199 -11.903 -7.402
237 1HD2 LEU 33 1HD2 LEU 33 -3.454 -10.841 -4.559
238 2HD2 LEU 33 2HD2 LEU 33 -3.275 -10.753 -6.311
239 3HD2 LEU 33 3HD2 LEU 33 -3.765 -12.267 -5.550
240 1HN NH2 34 1HN NH2 34 2.802 -12.147 -3.448
241 2HN NH2 34 2HN NH2 34 1.624 -12.675 -2.226
Start of MODEL 2
1 1H GLU 1 1H GLU 1 12.881 4.805 3.365
2 2H GLU 1 2H GLU 1 13.564 5.814 4.547
3 3H GLU 1 3H GLU 1 12.684 6.486 3.258
4 HA GLU 1 HA GLU 1 11.576 4.781 5.436
5 1HB GLU 1 2HB GLU 1 12.373 7.286 5.692
6 2HB GLU 1 1HB GLU 1 10.888 7.641 4.809
7 1HG GLU 1 2HG GLU 1 9.519 6.787 6.501
8 2HG GLU 1 1HG GLU 1 10.804 5.781 7.169
9 H CYS 2 H CYS 2 9.349 4.275 5.180
10 HA CYS 2 HA CYS 2 7.911 5.210 2.762
11 1HB CYS 2 2HB CYS 2 7.494 2.711 2.222
12 2HB CYS 2 1HB CYS 2 9.080 3.371 1.827
13 H LYS 3 H LYS 3 5.671 3.852 2.747
14 HA LYS 3 HA LYS 3 4.406 4.415 5.326
15 1HB LYS 3 2HB LYS 3 3.475 3.325 2.657
16 2HB LYS 3 1HB LYS 3 2.379 3.582 4.014
17 1HG LYS 3 2HG LYS 3 4.172 5.767 2.930
18 2HG LYS 3 1HG LYS 3 2.531 5.502 2.341
19 1HD LYS 3 2HD LYS 3 1.739 6.698 4.073
20 2HD LYS 3 1HD LYS 3 2.397 5.495 5.181
21 1HE LYS 3 2HE LYS 3 3.752 7.163 5.940
22 2HE LYS 3 1HE LYS 3 4.639 6.984 4.413
23 1HZ LYS 3 1HZ LYS 3 3.058 8.509 3.372
24 2HZ LYS 3 2HZ LYS 3 3.860 9.255 4.671
25 3HZ LYS 3 3HZ LYS 3 2.259 8.715 4.855
26 H GLY 4 H GLY 4 3.747 2.923 6.857
27 1HA GLY 4 2HA GLY 4 4.811 0.202 6.677
28 2HA GLY 4 1HA GLY 4 3.934 0.884 8.046
29 H PHE 5 H PHE 5 3.094 -1.536 7.631
30 HA PHE 5 HA PHE 5 1.086 -1.853 5.539
31 1HB PHE 5 2HB PHE 5 2.324 -3.746 6.416
32 2HB PHE 5 1HB PHE 5 1.808 -3.379 8.061
33 HD1 PHE 5 HD1 PHE 5 -0.347 -4.045 8.876
34 HD2 PHE 5 HD2 PHE 5 0.653 -4.549 4.728
35 HE1 PHE 5 HE1 PHE 5 -2.371 -5.441 8.557
36 HE2 PHE 5 HE2 PHE 5 -1.371 -5.945 4.412
37 HZ PHE 5 HZ PHE 5 -2.883 -6.391 6.325
38 H GLY 6 H GLY 6 -1.166 -1.651 5.745
39 1HA GLY 6 2HA GLY 6 -3.240 -1.160 6.762
40 2HA GLY 6 1HA GLY 6 -2.437 -1.167 8.332
41 H LYS 7 H LYS 7 -1.380 0.788 5.588
42 HA LYS 7 HA LYS 7 -2.145 3.252 7.124
43 1HB LYS 7 2HB LYS 7 0.333 2.249 5.981
44 2HB LYS 7 1HB LYS 7 -0.074 3.820 5.293
45 1HG LYS 7 2HG LYS 7 1.288 4.056 7.350
46 2HG LYS 7 1HG LYS 7 -0.314 4.767 7.549
47 1HD LYS 7 2HD LYS 7 -1.047 3.066 8.959
48 2HD LYS 7 1HD LYS 7 0.108 1.898 8.318
49 1HE LYS 7 2HE LYS 7 1.232 4.305 9.695
50 2HE LYS 7 1HE LYS 7 0.492 3.049 10.707
51 1HZ LYS 7 1HZ LYS 7 2.806 2.519 10.301
52 2HZ LYS 7 2HZ LYS 7 2.572 2.621 8.623
53 3HZ LYS 7 3HZ LYS 7 1.818 1.387 9.516
54 H SER 8 H SER 8 -3.497 4.635 6.055
55 HA SER 8 HA SER 8 -4.797 4.013 3.619
56 1HB SER 8 2HB SER 8 -5.436 5.630 5.486
57 2HB SER 8 1HB SER 8 -4.329 6.785 4.748
58 HG SER 8 HG SER 8 -5.669 7.036 3.116
59 H CYS 9 H CYS 9 -3.994 4.008 1.573
60 HA CYS 9 HA CYS 9 -2.143 6.166 0.701
61 1HB CYS 9 2HB CYS 9 -0.517 4.542 -0.114
62 2HB CYS 9 1HB CYS 9 -0.819 4.220 1.592
63 H VAL 10 H VAL 10 -2.009 6.270 -1.686
64 HA VAL 10 HA VAL 10 -4.527 5.330 -2.960
65 HB VAL 10 HB VAL 10 -2.352 7.275 -3.811
66 1HG1 VAL 10 1HG1 VAL 10 -3.481 6.377 -5.772
67 2HG1 VAL 10 2HG1 VAL 10 -4.066 8.016 -5.484
68 3HG1 VAL 10 3HG1 VAL 10 -5.058 6.632 -5.024
69 1HG2 VAL 10 1HG2 VAL 10 -4.270 8.925 -3.351
70 2HG2 VAL 10 2HG2 VAL 10 -3.504 8.200 -1.939
71 3HG2 VAL 10 3HG2 VAL 10 -5.062 7.597 -2.504
72 HA PRO 11 HA PRO 11 -2.130 2.107 -4.919
73 1HB PRO 11 2HB PRO 11 -4.173 1.081 -6.425
74 2HB PRO 11 1HB PRO 11 -3.989 0.753 -4.690
75 1HG PRO 11 2HG PRO 11 -5.802 2.661 -6.073
76 2HG PRO 11 1HG PRO 11 -6.097 1.651 -4.650
77 1HD PRO 11 2HD PRO 11 -5.548 4.325 -4.526
78 2HD PRO 11 1HD PRO 11 -5.186 3.179 -3.216
79 H GLY 12 H GLY 12 -1.247 1.779 -7.041
80 1HA GLY 12 2HA GLY 12 -1.742 2.368 -9.537
81 2HA GLY 12 1HA GLY 12 -1.758 4.028 -8.936
82 H LYS 13 H LYS 13 0.292 4.520 -7.507
83 HA LYS 13 HA LYS 13 2.671 3.648 -9.092
84 1HB LYS 13 2HB LYS 13 1.711 6.087 -7.770
85 2HB LYS 13 1HB LYS 13 3.402 5.736 -7.414
86 1HG LYS 13 2HG LYS 13 4.033 6.360 -9.482
87 2HG LYS 13 1HG LYS 13 2.858 5.272 -10.219
88 1HD LYS 13 2HD LYS 13 1.970 7.262 -10.952
89 2HD LYS 13 1HD LYS 13 1.170 7.189 -9.382
90 1HE LYS 13 2HE LYS 13 3.136 8.498 -8.430
91 2HE LYS 13 1HE LYS 13 3.667 8.754 -10.105
92 1HZ LYS 13 1HZ LYS 13 2.203 10.544 -9.379
93 2HZ LYS 13 2HZ LYS 13 0.979 9.423 -9.017
94 3HZ LYS 13 3HZ LYS 13 1.480 9.650 -10.626
95 H ASN 14 H ASN 14 1.191 2.510 -6.428
96 HA ASN 14 HA ASN 14 1.882 1.324 -4.523
97 1HB ASN 14 2HB ASN 14 3.853 1.042 -6.649
98 2HB ASN 14 1HB ASN 14 4.600 0.863 -5.062
99 1HD2 ASN 14 1HD2 ASN 14 1.573 -0.226 -6.731
100 2HD2 ASN 14 2HD2 ASN 14 1.619 -1.796 -6.085
101 H GLU 15 H GLU 15 1.653 3.348 -3.241
102 HA GLU 15 HA GLU 15 4.182 4.784 -2.600
103 1HB GLU 15 2HB GLU 15 1.241 5.177 -1.977
104 2HB GLU 15 1HB GLU 15 2.498 6.192 -1.272
105 1HG GLU 15 2HG GLU 15 3.218 6.943 -3.450
106 2HG GLU 15 1HG GLU 15 2.168 5.776 -4.255
107 H CYS 16 H CYS 16 4.605 2.335 -1.688
108 HA CYS 16 HA CYS 16 4.260 2.546 1.265
109 1HB CYS 16 2HB CYS 16 2.448 1.154 -0.044
110 2HB CYS 16 1HB CYS 16 3.727 -0.055 -0.157
111 H CYS 17 H CYS 17 5.568 0.578 2.277
112 HA CYS 17 HA CYS 17 8.314 0.794 1.518
113 1HB CYS 17 2HB CYS 17 6.747 -1.224 3.151
114 2HB CYS 17 1HB CYS 17 8.508 -1.212 3.073
115 H SER 18 H SER 18 9.698 -0.781 0.495
116 HA SER 18 HA SER 18 8.727 -2.009 -1.879
117 1HB SER 18 2HB SER 18 11.196 -2.294 -0.167
118 2HB SER 18 1HB SER 18 11.003 -3.244 -1.637
119 HG SER 18 HG SER 18 11.389 -0.510 -1.289
120 H GLY 19 H GLY 19 7.814 -4.004 -2.268
121 1HA GLY 19 2HA GLY 19 7.659 -6.416 -1.802
122 2HA GLY 19 1HA GLY 19 7.904 -6.053 -0.094
123 H TYR 20 H TYR 20 6.052 -3.767 -0.087
124 HA TYR 20 HA TYR 20 3.473 -5.296 -0.169
125 1HB TYR 20 2HB TYR 20 4.054 -2.735 1.337
126 2HB TYR 20 1HB TYR 20 2.805 -3.931 1.670
127 HD1 TYR 20 HD1 TYR 20 4.092 -6.479 1.741
128 HD2 TYR 20 HD2 TYR 20 5.635 -2.685 3.035
129 HE1 TYR 20 HE1 TYR 20 5.639 -7.637 3.294
130 HE2 TYR 20 HE2 TYR 20 7.182 -3.844 4.587
131 HH TYR 20 HH TYR 20 8.197 -6.619 4.435
132 H ALA 21 H ALA 21 1.699 -4.376 -1.264
133 HA ALA 21 HA ALA 21 2.229 -1.825 -2.764
134 1HB ALA 21 1HB ALA 21 2.372 -3.690 -4.273
135 2HB ALA 21 2HB ALA 21 0.789 -2.961 -4.542
136 3HB ALA 21 3HB ALA 21 0.930 -4.436 -3.586
137 H CYS 22 H CYS 22 0.357 -0.480 -3.117
138 HA CYS 22 HA CYS 22 -1.632 -0.561 -0.983
139 1HB CYS 22 2HB CYS 22 -1.088 1.146 -3.420
140 2HB CYS 22 1HB CYS 22 -2.503 1.425 -2.404
141 H ASN 23 H ASN 23 -3.608 -1.574 -1.082
142 HA ASN 23 HA ASN 23 -4.535 -2.592 -3.748
143 1HB ASN 23 2HB ASN 23 -4.717 -3.550 -0.897
144 2HB ASN 23 1HB ASN 23 -5.854 -4.147 -2.107
145 1HD2 ASN 23 1HD2 ASN 23 -4.924 -5.325 -3.996
146 2HD2 ASN 23 2HD2 ASN 23 -3.390 -6.040 -3.875
147 H SER 24 H SER 24 -6.969 -2.760 -3.928
148 HA SER 24 HA SER 24 -8.219 -0.213 -3.084
149 1HB SER 24 2HB SER 24 -8.333 -2.030 -5.285
150 2HB SER 24 1HB SER 24 -9.946 -1.945 -4.583
151 HG SER 24 HG SER 24 -10.082 0.106 -5.131
152 H ARG 25 H ARG 25 -8.174 -3.499 -2.011
153 HA ARG 25 HA ARG 25 -10.795 -3.956 -1.067
154 1HB ARG 25 2HB ARG 25 -8.197 -5.050 -0.819
155 2HB ARG 25 1HB ARG 25 -8.779 -4.817 0.829
156 1HG ARG 25 2HG ARG 25 -10.924 -5.963 0.137
157 2HG ARG 25 1HG ARG 25 -10.140 -6.361 -1.392
158 1HD ARG 25 2HD ARG 25 -8.602 -7.818 -0.375
159 2HD ARG 25 1HD ARG 25 -8.800 -7.065 1.220
160 HE ARG 25 HE ARG 25 -11.018 -8.599 -0.087
161 1HH1 ARG 25 2HH1 ARG 25 -11.351 -6.999 2.514
162 2HH1 ARG 25 1HH1 ARG 25 -11.227 -8.264 3.690
163 1HH2 ARG 25 1HH2 ARG 25 -9.865 -10.561 1.468
164 2HH2 ARG 25 2HH2 ARG 25 -10.383 -10.284 3.097
165 H ASP 26 H ASP 26 -8.074 -2.457 0.734
166 HA ASP 26 HA ASP 26 -10.101 -1.105 2.492
167 1HB ASP 26 2HB ASP 26 -8.387 -3.041 3.235
168 2HB ASP 26 1HB ASP 26 -7.315 -1.652 3.410
169 H LYS 27 H LYS 27 -8.225 -0.386 -0.036
170 HA LYS 27 HA LYS 27 -7.025 1.499 -0.782
171 1HB LYS 27 2HB LYS 27 -8.951 2.555 1.303
172 2HB LYS 27 1HB LYS 27 -7.980 3.627 0.294
173 1HG LYS 27 2HG LYS 27 -9.299 1.546 -1.276
174 2HG LYS 27 1HG LYS 27 -10.455 2.538 -0.387
175 1HD LYS 27 2HD LYS 27 -10.196 3.798 -2.326
176 2HD LYS 27 1HD LYS 27 -8.978 4.533 -1.285
177 1HE LYS 27 2HE LYS 27 -7.714 4.139 -3.215
178 2HE LYS 27 1HE LYS 27 -7.431 2.624 -2.337
179 1HZ LYS 27 1HZ LYS 27 -9.323 1.641 -3.472
180 2HZ LYS 27 2HZ LYS 27 -8.187 2.197 -4.605
181 3HZ LYS 27 3HZ LYS 27 -9.605 3.087 -4.314
182 H TRP 28 H TRP 28 -5.525 -0.007 1.089
183 HA TRP 28 HA TRP 28 -3.887 2.155 2.293
184 1HB TRP 28 2HB TRP 28 -3.940 1.137 4.491
185 2HB TRP 28 1HB TRP 28 -5.596 1.381 3.960
186 HD1 TRP 28 HD1 TRP 28 -4.554 -1.489 2.037
187 HE1 TRP 28 HE1 TRP 28 -5.200 -3.702 3.177
188 HE3 TRP 28 HE3 TRP 28 -5.596 0.211 6.739
189 HZ2 TRP 28 HZ2 TRP 28 -6.049 -4.635 5.740
190 HZ3 TRP 28 HZ3 TRP 28 -6.323 -1.363 8.508
191 HH2 TRP 28 HH2 TRP 28 -6.550 -3.782 8.015
192 H CYS 29 H CYS 29 -1.999 0.704 3.605
193 HA CYS 29 HA CYS 29 -0.511 -0.544 1.427
194 1HB CYS 29 2HB CYS 29 -0.112 0.209 4.290
195 2HB CYS 29 1HB CYS 29 0.982 -0.995 3.613
196 H LYS 30 H LYS 30 -0.464 -2.704 0.946
197 HA LYS 30 HA LYS 30 -1.295 -4.672 3.042
198 1HB LYS 30 2HB LYS 30 -2.875 -3.805 0.945
199 2HB LYS 30 1HB LYS 30 -2.143 -5.269 0.289
200 1HG LYS 30 2HG LYS 30 -3.146 -5.450 3.080
201 2HG LYS 30 1HG LYS 30 -4.372 -5.305 1.820
202 1HD LYS 30 2HD LYS 30 -3.953 -7.383 0.998
203 2HD LYS 30 1HD LYS 30 -2.209 -7.209 1.190
204 1HE LYS 30 2HE LYS 30 -2.752 -8.885 2.771
205 2HE LYS 30 1HE LYS 30 -2.731 -7.413 3.760
206 1HZ LYS 30 1HZ LYS 30 -5.094 -7.171 3.453
207 2HZ LYS 30 2HZ LYS 30 -4.780 -8.724 4.066
208 3HZ LYS 30 3HZ LYS 30 -5.148 -8.517 2.421
209 H VAL 31 H VAL 31 -0.199 -6.669 2.899
210 HA VAL 31 HA VAL 31 2.341 -6.684 1.487
211 HB VAL 31 HB VAL 31 0.797 -8.828 2.990
212 1HG1 VAL 31 1HG1 VAL 31 3.215 -9.710 3.302
213 2HG1 VAL 31 2HG1 VAL 31 3.616 -8.692 1.918
214 3HG1 VAL 31 3HG1 VAL 31 2.435 -9.991 1.745
215 1HG2 VAL 31 1HG2 VAL 31 2.585 -6.576 3.789
216 2HG2 VAL 31 2HG2 VAL 31 2.796 -8.104 4.643
217 3HG2 VAL 31 3HG2 VAL 31 1.229 -7.296 4.657
218 H LEU 32 H LEU 32 2.803 -7.591 -0.493
219 HA LEU 32 HA LEU 32 0.659 -8.436 -2.258
220 1HB LEU 32 2HB LEU 32 3.663 -8.244 -2.334
221 2HB LEU 32 1HB LEU 32 2.810 -9.056 -3.647
222 HG LEU 32 HG LEU 32 1.812 -6.377 -2.758
223 1HD1 LEU 32 1HD1 LEU 32 4.466 -6.922 -3.941
224 2HD1 LEU 32 2HD1 LEU 32 3.886 -5.494 -3.084
225 3HD1 LEU 32 3HD1 LEU 32 3.512 -5.708 -4.794
226 1HD2 LEU 32 1HD2 LEU 32 0.636 -7.743 -4.476
227 2HD2 LEU 32 2HD2 LEU 32 2.094 -7.720 -5.467
228 3HD2 LEU 32 3HD2 LEU 32 1.228 -6.219 -5.138
229 H LEU 33 H LEU 33 0.202 -10.550 -3.003
230 HA LEU 33 HA LEU 33 1.034 -12.748 -1.202
231 1HB LEU 33 1HB LEU 33 -0.975 -12.405 -3.444
232 2HB LEU 33 2HB LEU 33 -0.698 -13.960 -2.661
233 HG LEU 33 HG LEU 33 -1.052 -11.799 -0.724
234 1HD1 LEU 33 1HD1 LEU 33 -3.335 -12.449 -2.615
235 2HD1 LEU 33 2HD1 LEU 33 -3.475 -11.500 -1.135
236 3HD1 LEU 33 3HD1 LEU 33 -2.517 -10.893 -2.486
237 1HD2 LEU 33 1HD2 LEU 33 -1.158 -14.380 -0.476
238 2HD2 LEU 33 2HD2 LEU 33 -2.376 -13.427 0.372
239 3HD2 LEU 33 3HD2 LEU 33 -2.786 -14.237 -1.140
240 1HN NH2 34 1HN NH2 34 3.186 -12.391 -4.454
241 2HN NH2 34 2HN NH2 34 2.293 -11.187 -3.499
Start of MODEL 3
1 1H GLU 1 1H GLU 1 12.116 5.652 4.875
2 2H GLU 1 2H GLU 1 12.819 4.144 4.529
3 3H GLU 1 3H GLU 1 13.225 4.964 5.960
4 HA GLU 1 HA GLU 1 11.690 3.162 6.456
5 1HB GLU 1 2HB GLU 1 11.452 5.972 6.999
6 2HB GLU 1 1HB GLU 1 9.832 5.276 6.947
7 1HG GLU 1 2HG GLU 1 10.827 3.395 8.437
8 2HG GLU 1 1HG GLU 1 12.141 4.533 8.737
9 H CYS 2 H CYS 2 9.883 1.980 5.831
10 HA CYS 2 HA CYS 2 8.177 3.097 3.627
11 1HB CYS 2 2HB CYS 2 8.273 0.858 2.601
12 2HB CYS 2 1HB CYS 2 9.899 1.502 2.815
13 H LYS 3 H LYS 3 6.123 1.620 3.409
14 HA LYS 3 HA LYS 3 4.897 1.409 6.096
15 1HB LYS 3 2HB LYS 3 4.095 1.787 3.298
16 2HB LYS 3 1HB LYS 3 3.033 0.682 4.167
17 1HG LYS 3 2HG LYS 3 2.014 2.583 4.888
18 2HG LYS 3 1HG LYS 3 3.361 2.665 6.024
19 1HD LYS 3 2HD LYS 3 4.633 3.969 4.255
20 2HD LYS 3 1HD LYS 3 3.123 4.061 3.348
21 1HE LYS 3 2HE LYS 3 2.984 4.850 6.222
22 2HE LYS 3 1HE LYS 3 3.826 5.962 5.126
23 1HZ LYS 3 1HZ LYS 3 1.109 4.824 4.713
24 2HZ LYS 3 2HZ LYS 3 1.928 5.823 3.609
25 3HZ LYS 3 3HZ LYS 3 1.461 6.431 5.125
26 H GLY 4 H GLY 4 3.480 -0.562 6.519
27 1HA GLY 4 2HA GLY 4 4.895 -3.035 5.604
28 2HA GLY 4 1HA GLY 4 4.068 -2.880 7.154
29 H PHE 5 H PHE 5 1.918 -3.428 7.259
30 HA PHE 5 HA PHE 5 0.418 -3.791 4.692
31 1HB PHE 5 2HB PHE 5 1.416 -5.931 5.398
32 2HB PHE 5 1HB PHE 5 0.698 -5.751 6.998
33 HD1 PHE 5 HD1 PHE 5 -0.306 -5.749 3.376
34 HD2 PHE 5 HD2 PHE 5 -1.366 -6.752 7.417
35 HE1 PHE 5 HE1 PHE 5 -2.396 -6.812 2.566
36 HE2 PHE 5 HE2 PHE 5 -3.455 -7.814 6.606
37 HZ PHE 5 HZ PHE 5 -3.969 -7.844 4.180
38 H GLY 6 H GLY 6 -1.656 -2.994 4.838
39 1HA GLY 6 2HA GLY 6 -3.688 -2.286 5.796
40 2HA GLY 6 1HA GLY 6 -3.158 -2.969 7.332
41 H LYS 7 H LYS 7 -1.148 -0.659 5.601
42 HA LYS 7 HA LYS 7 -1.590 1.295 7.823
43 1HB LYS 7 2HB LYS 7 0.681 0.170 7.109
44 2HB LYS 7 1HB LYS 7 0.648 1.362 5.810
45 1HG LYS 7 2HG LYS 7 1.824 2.474 7.515
46 2HG LYS 7 1HG LYS 7 0.179 3.083 7.703
47 1HD LYS 7 2HD LYS 7 -0.148 1.120 9.358
48 2HD LYS 7 1HD LYS 7 1.613 1.012 9.364
49 1HE LYS 7 2HE LYS 7 1.357 3.674 9.749
50 2HE LYS 7 1HE LYS 7 -0.150 3.124 10.506
51 1HZ LYS 7 1HZ LYS 7 1.654 3.040 12.101
52 2HZ LYS 7 2HZ LYS 7 2.573 2.062 11.058
53 3HZ LYS 7 3HZ LYS 7 1.133 1.468 11.740
54 H SER 8 H SER 8 -2.705 3.142 7.316
55 HA SER 8 HA SER 8 -3.844 3.718 4.787
56 1HB SER 8 2HB SER 8 -3.242 5.272 7.293
57 2HB SER 8 1HB SER 8 -3.945 6.095 5.903
58 HG SER 8 HG SER 8 -5.765 5.052 6.204
59 H CYS 9 H CYS 9 -2.805 4.292 2.928
60 HA CYS 9 HA CYS 9 -0.522 6.216 3.083
61 1HB CYS 9 2HB CYS 9 0.800 4.785 1.653
62 2HB CYS 9 1HB CYS 9 0.203 3.785 2.974
63 H VAL 10 H VAL 10 0.057 6.418 0.395
64 HA VAL 10 HA VAL 10 -2.513 7.458 -0.734
65 HB VAL 10 HB VAL 10 0.407 8.114 -1.258
66 1HG1 VAL 10 1HG1 VAL 10 -0.801 8.502 -3.302
67 2HG1 VAL 10 2HG1 VAL 10 -0.608 10.071 -2.522
68 3HG1 VAL 10 3HG1 VAL 10 -2.154 9.228 -2.434
69 1HG2 VAL 10 1HG2 VAL 10 -0.666 10.392 -0.337
70 2HG2 VAL 10 2HG2 VAL 10 -0.018 9.167 0.754
71 3HG2 VAL 10 3HG2 VAL 10 -1.755 9.256 0.460
72 HA PRO 11 HA PRO 11 -1.938 3.992 -3.575
73 1HB PRO 11 2HB PRO 11 -4.428 4.172 -4.694
74 2HB PRO 11 1HB PRO 11 -4.122 3.373 -3.140
75 1HG PRO 11 2HG PRO 11 -5.221 6.080 -3.690
76 2HG PRO 11 1HG PRO 11 -5.661 4.915 -2.432
77 1HD PRO 11 2HD PRO 11 -4.080 7.102 -1.993
78 2HD PRO 11 1HD PRO 11 -4.006 5.616 -1.023
79 H GLY 12 H GLY 12 -0.821 4.342 -5.448
80 1HA GLY 12 2HA GLY 12 -1.126 5.137 -7.847
81 2HA GLY 12 1HA GLY 12 -1.587 6.690 -7.144
82 H LYS 13 H LYS 13 0.352 6.781 -5.054
83 HA LYS 13 HA LYS 13 2.746 7.518 -6.633
84 1HB LYS 13 2HB LYS 13 1.386 8.681 -4.589
85 2HB LYS 13 1HB LYS 13 2.640 7.836 -3.680
86 1HG LYS 13 2HG LYS 13 4.368 8.878 -5.119
87 2HG LYS 13 1HG LYS 13 3.104 9.752 -5.984
88 1HD LYS 13 2HD LYS 13 2.441 10.486 -3.496
89 2HD LYS 13 1HD LYS 13 4.159 10.185 -3.226
90 1HE LYS 13 2HE LYS 13 4.783 11.760 -4.958
91 2HE LYS 13 1HE LYS 13 3.091 11.947 -5.459
92 1HZ LYS 13 1HZ LYS 13 2.554 12.763 -3.251
93 2HZ LYS 13 2HZ LYS 13 3.765 13.727 -3.951
94 3HZ LYS 13 3HZ LYS 13 4.170 12.584 -2.761
95 H ASN 14 H ASN 14 1.690 4.758 -4.955
96 HA ASN 14 HA ASN 14 2.791 2.838 -4.168
97 1HB ASN 14 2HB ASN 14 3.845 3.564 -6.546
98 2HB ASN 14 1HB ASN 14 5.294 3.686 -5.549
99 1HD2 ASN 14 1HD2 ASN 14 3.170 1.461 -7.143
100 2HD2 ASN 14 2HD2 ASN 14 3.867 0.035 -6.541
101 H GLU 15 H GLU 15 2.725 4.297 -2.079
102 HA GLU 15 HA GLU 15 5.489 4.969 -1.150
103 1HB GLU 15 2HB GLU 15 2.678 5.794 -0.473
104 2HB GLU 15 1HB GLU 15 3.938 5.986 0.746
105 1HG GLU 15 2HG GLU 15 4.512 6.947 -2.029
106 2HG GLU 15 1HG GLU 15 3.433 7.915 -1.024
107 H CYS 16 H CYS 16 5.342 2.325 -1.232
108 HA CYS 16 HA CYS 16 4.899 1.488 1.604
109 1HB CYS 16 2HB CYS 16 3.600 0.557 -0.901
110 2HB CYS 16 1HB CYS 16 4.106 -0.713 0.211
111 H CYS 17 H CYS 17 5.862 -0.897 1.795
112 HA CYS 17 HA CYS 17 8.643 -0.763 0.811
113 1HB CYS 17 2HB CYS 17 7.291 -1.697 3.081
114 2HB CYS 17 1HB CYS 17 7.848 -3.160 2.272
115 H SER 18 H SER 18 9.611 -2.915 -0.006
116 HA SER 18 HA SER 18 8.397 -3.718 -2.456
117 1HB SER 18 2HB SER 18 10.828 -3.880 -1.605
118 2HB SER 18 1HB SER 18 10.327 -5.367 -0.807
119 HG SER 18 HG SER 18 10.231 -6.334 -2.684
120 H GLY 19 H GLY 19 6.835 -5.245 -2.892
121 1HA GLY 19 2HA GLY 19 5.808 -7.437 -2.515
122 2HA GLY 19 1HA GLY 19 6.200 -7.282 -0.803
123 H TYR 20 H TYR 20 5.275 -4.598 -0.415
124 HA TYR 20 HA TYR 20 2.322 -5.060 -0.596
125 1HB TYR 20 2HB TYR 20 4.038 -3.285 1.175
126 2HB TYR 20 1HB TYR 20 2.285 -3.424 1.290
127 HD1 TYR 20 HD1 TYR 20 5.483 -4.967 2.080
128 HD2 TYR 20 HD2 TYR 20 1.241 -5.620 1.915
129 HE1 TYR 20 HE1 TYR 20 5.735 -6.970 3.520
130 HE2 TYR 20 HE2 TYR 20 1.493 -7.622 3.354
131 HH TYR 20 HH TYR 20 3.998 -9.284 3.766
132 H ALA 21 H ALA 21 1.005 -3.505 -1.578
133 HA ALA 21 HA ALA 21 2.353 -1.082 -2.733
134 1HB ALA 21 1HB ALA 21 0.344 -2.974 -4.003
135 2HB ALA 21 2HB ALA 21 2.054 -2.851 -4.418
136 3HB ALA 21 3HB ALA 21 0.965 -1.506 -4.758
137 H CYS 22 H CYS 22 0.949 0.768 -2.963
138 HA CYS 22 HA CYS 22 -1.204 0.909 -0.978
139 1HB CYS 22 2HB CYS 22 0.183 2.777 -2.893
140 2HB CYS 22 1HB CYS 22 -1.289 3.294 -2.070
141 H ASN 23 H ASN 23 -3.321 0.467 -1.429
142 HA ASN 23 HA ASN 23 -4.201 0.480 -4.301
143 1HB ASN 23 2HB ASN 23 -4.400 -1.397 -2.073
144 2HB ASN 23 1HB ASN 23 -5.979 -1.054 -2.780
145 1HD2 ASN 23 1HD2 ASN 23 -6.405 -1.837 -4.921
146 2HD2 ASN 23 2HD2 ASN 23 -5.300 -2.790 -5.788
147 H SER 24 H SER 24 -6.427 1.175 -4.685
148 HA SER 24 HA SER 24 -7.246 3.403 -2.930
149 1HB SER 24 2HB SER 24 -7.958 2.321 -5.644
150 2HB SER 24 1HB SER 24 -9.029 3.484 -4.869
151 HG SER 24 HG SER 24 -6.396 3.772 -5.782
152 H ARG 25 H ARG 25 -8.110 0.066 -3.380
153 HA ARG 25 HA ARG 25 -10.872 0.028 -2.734
154 1HB ARG 25 2HB ARG 25 -8.931 -1.784 -3.296
155 2HB ARG 25 1HB ARG 25 -9.079 -2.039 -1.558
156 1HG ARG 25 2HG ARG 25 -10.938 -3.254 -1.908
157 2HG ARG 25 1HG ARG 25 -11.720 -1.834 -2.603
158 1HD ARG 25 2HD ARG 25 -11.823 -3.377 -4.382
159 2HD ARG 25 1HD ARG 25 -10.335 -2.489 -4.761
160 HE ARG 25 HE ARG 25 -10.349 -5.095 -3.277
161 1HH1 ARG 25 2HH1 ARG 25 -9.737 -5.211 -6.189
162 2HH1 ARG 25 1HH1 ARG 25 -8.009 -5.101 -6.213
163 1HH2 ARG 25 1HH2 ARG 25 -7.769 -3.904 -2.962
164 2HH2 ARG 25 2HH2 ARG 25 -6.893 -4.362 -4.385
165 H ASP 26 H ASP 26 -8.045 -0.150 -0.538
166 HA ASP 26 HA ASP 26 -9.845 0.642 1.733
167 1HB ASP 26 2HB ASP 26 -7.688 -1.364 1.348
168 2HB ASP 26 1HB ASP 26 -7.681 -0.519 2.895
169 H LYS 27 H LYS 27 -7.493 1.868 -0.299
170 HA LYS 27 HA LYS 27 -6.006 3.685 -0.164
171 1HB LYS 27 2HB LYS 27 -8.358 4.305 1.066
172 2HB LYS 27 1HB LYS 27 -7.226 4.585 2.389
173 1HG LYS 27 2HG LYS 27 -5.859 5.839 0.468
174 2HG LYS 27 1HG LYS 27 -7.468 6.000 -0.234
175 1HD LYS 27 2HD LYS 27 -7.819 7.750 1.142
176 2HD LYS 27 1HD LYS 27 -7.786 6.620 2.494
177 1HE LYS 27 2HE LYS 27 -6.060 8.044 3.138
178 2HE LYS 27 1HE LYS 27 -5.132 6.893 2.157
179 1HZ LYS 27 1HZ LYS 27 -6.375 9.407 1.160
180 2HZ LYS 27 2HZ LYS 27 -5.497 8.296 0.220
181 3HZ LYS 27 3HZ LYS 27 -4.719 9.176 1.446
182 H TRP 28 H TRP 28 -5.014 1.264 0.977
183 HA TRP 28 HA TRP 28 -3.133 2.392 2.976
184 1HB TRP 28 2HB TRP 28 -3.599 0.634 4.584
185 2HB TRP 28 1HB TRP 28 -5.107 1.438 4.182
186 HD1 TRP 28 HD1 TRP 28 -4.389 -0.683 1.309
187 HE1 TRP 28 HE1 TRP 28 -5.630 -2.930 1.459
188 HE3 TRP 28 HE3 TRP 28 -5.783 -0.597 6.223
189 HZ2 TRP 28 HZ2 TRP 28 -7.035 -4.488 3.397
190 HZ3 TRP 28 HZ3 TRP 28 -7.076 -2.478 7.190
191 HH2 TRP 28 HH2 TRP 28 -7.703 -4.421 5.784
192 H CYS 29 H CYS 29 -1.750 0.141 3.665
193 HA CYS 29 HA CYS 29 -0.447 -0.594 1.107
194 1HB CYS 29 2HB CYS 29 0.547 0.208 3.443
195 2HB CYS 29 1HB CYS 29 0.441 -1.511 3.822
196 H LYS 30 H LYS 30 -0.766 -2.583 0.167
197 HA LYS 30 HA LYS 30 -1.674 -4.861 1.867
198 1HB LYS 30 2HB LYS 30 -3.493 -5.322 0.283
199 2HB LYS 30 1HB LYS 30 -3.648 -3.682 0.908
200 1HG LYS 30 2HG LYS 30 -3.763 -3.030 -1.256
201 2HG LYS 30 1HG LYS 30 -2.030 -3.346 -1.320
202 1HD LYS 30 2HD LYS 30 -2.572 -4.804 -2.978
203 2HD LYS 30 1HD LYS 30 -3.051 -5.869 -1.656
204 1HE LYS 30 2HE LYS 30 -5.175 -3.970 -2.289
205 2HE LYS 30 1HE LYS 30 -4.726 -4.943 -3.703
206 1HZ LYS 30 1HZ LYS 30 -5.298 -6.009 -0.986
207 2HZ LYS 30 2HZ LYS 30 -4.855 -6.935 -2.341
208 3HZ LYS 30 3HZ LYS 30 -6.340 -6.111 -2.320
209 H VAL 31 H VAL 31 -0.947 -6.883 1.100
210 HA VAL 31 HA VAL 31 1.310 -6.862 -0.723
211 HB VAL 31 HB VAL 31 0.966 -8.341 1.296
212 1HG1 VAL 31 1HG1 VAL 31 -0.788 -10.023 -0.497
213 2HG1 VAL 31 2HG1 VAL 31 -1.478 -8.834 0.608
214 3HG1 VAL 31 3HG1 VAL 31 -0.527 -10.178 1.240
215 1HG2 VAL 31 1HG2 VAL 31 1.946 -10.339 0.242
216 2HG2 VAL 31 2HG2 VAL 31 2.639 -8.873 -0.449
217 3HG2 VAL 31 3HG2 VAL 31 1.413 -9.775 -1.342
218 H LEU 32 H LEU 32 1.367 -7.420 -2.883
219 HA LEU 32 HA LEU 32 -1.181 -7.616 -4.333
220 1HB LEU 32 2HB LEU 32 0.306 -7.493 -6.304
221 2HB LEU 32 1HB LEU 32 0.723 -6.250 -5.128
222 HG LEU 32 HG LEU 32 2.237 -8.503 -4.387
223 1HD1 LEU 32 1HD1 LEU 32 2.587 -9.698 -6.264
224 2HD1 LEU 32 2HD1 LEU 32 3.354 -8.277 -6.973
225 3HD1 LEU 32 3HD1 LEU 32 1.631 -8.561 -7.214
226 1HD2 LEU 32 1HD2 LEU 32 2.834 -6.062 -4.296
227 2HD2 LEU 32 2HD2 LEU 32 3.112 -6.112 -6.037
228 3HD2 LEU 32 3HD2 LEU 32 4.120 -7.073 -4.955
229 H LEU 33 H LEU 33 -2.010 -9.470 -5.285
230 HA LEU 33 HA LEU 33 -0.406 -11.996 -5.022
231 1HB LEU 33 1HB LEU 33 -3.283 -11.353 -4.340
232 2HB LEU 33 2HB LEU 33 -2.734 -13.013 -4.569
233 HG LEU 33 HG LEU 33 -0.954 -11.475 -2.825
234 1HD1 LEU 33 1HD1 LEU 33 -3.091 -10.374 -2.228
235 2HD1 LEU 33 2HD1 LEU 33 -3.810 -11.956 -1.924
236 3HD1 LEU 33 3HD1 LEU 33 -2.490 -11.378 -0.908
237 1HD2 LEU 33 1HD2 LEU 33 -1.089 -14.000 -3.207
238 2HD2 LEU 33 2HD2 LEU 33 -1.032 -13.483 -1.522
239 3HD2 LEU 33 3HD2 LEU 33 -2.566 -13.972 -2.242
240 1HN NH2 34 1HN NH2 34 -0.804 -11.543 -8.490
241 2HN NH2 34 2HN NH2 34 0.099 -11.028 -7.048
Start of MODEL 4
1 1H GLU 1 1H GLU 1 11.193 5.793 3.762
2 2H GLU 1 2H GLU 1 11.022 7.474 3.938
3 3H GLU 1 3H GLU 1 10.683 6.736 2.446
4 HA GLU 1 HA GLU 1 9.128 6.474 4.971
5 1HB GLU 1 2HB GLU 1 8.770 7.736 2.246
6 2HB GLU 1 1HB GLU 1 7.390 7.397 3.290
7 1HG GLU 1 2HG GLU 1 7.794 9.298 4.418
8 2HG GLU 1 1HG GLU 1 9.367 8.663 4.899
9 H CYS 2 H CYS 2 9.097 4.172 5.075
10 HA CYS 2 HA CYS 2 7.885 2.785 2.701
11 1HB CYS 2 2HB CYS 2 10.200 2.258 4.439
12 2HB CYS 2 1HB CYS 2 9.143 0.860 4.243
13 H LYS 3 H LYS 3 5.793 2.216 3.154
14 HA LYS 3 HA LYS 3 4.992 1.752 5.996
15 1HB LYS 3 2HB LYS 3 3.761 2.777 3.510
16 2HB LYS 3 1HB LYS 3 2.709 1.734 4.466
17 1HG LYS 3 2HG LYS 3 3.170 3.120 6.469
18 2HG LYS 3 1HG LYS 3 4.182 4.181 5.489
19 1HD LYS 3 2HD LYS 3 1.415 3.660 4.506
20 2HD LYS 3 1HD LYS 3 1.582 4.697 5.922
21 1HE LYS 3 2HE LYS 3 3.426 5.250 3.637
22 2HE LYS 3 1HE LYS 3 1.722 5.698 3.431
23 1HZ LYS 3 1HZ LYS 3 1.807 6.811 5.592
24 2HZ LYS 3 2HZ LYS 3 2.927 7.487 4.508
25 3HZ LYS 3 3HZ LYS 3 3.455 6.434 5.733
26 H GLY 4 H GLY 4 4.803 -0.355 6.645
27 1HA GLY 4 2HA GLY 4 4.933 -2.538 4.708
28 2HA GLY 4 1HA GLY 4 4.799 -2.714 6.458
29 H PHE 5 H PHE 5 3.186 -4.424 5.830
30 HA PHE 5 HA PHE 5 0.685 -3.711 4.567
31 1HB PHE 5 2HB PHE 5 1.796 -5.997 4.853
32 2HB PHE 5 1HB PHE 5 1.216 -5.965 6.519
33 HD1 PHE 5 HD1 PHE 5 0.243 -6.182 2.977
34 HD2 PHE 5 HD2 PHE 5 -1.179 -6.059 7.030
35 HE1 PHE 5 HE1 PHE 5 -1.991 -6.938 2.217
36 HE2 PHE 5 HE2 PHE 5 -3.413 -6.815 6.269
37 HZ PHE 5 HZ PHE 5 -3.820 -7.255 3.862
38 H GLY 6 H GLY 6 -1.302 -3.162 5.532
39 1HA GLY 6 2HA GLY 6 -2.813 -2.629 7.288
40 2HA GLY 6 1HA GLY 6 -1.554 -3.024 8.457
41 H LYS 7 H LYS 7 -0.892 -0.837 5.790
42 HA LYS 7 HA LYS 7 -0.794 1.434 7.755
43 1HB LYS 7 2HB LYS 7 0.945 0.687 5.384
44 2HB LYS 7 1HB LYS 7 1.077 2.225 6.236
45 1HG LYS 7 2HG LYS 7 1.265 -0.437 7.661
46 2HG LYS 7 1HG LYS 7 2.679 0.391 7.008
47 1HD LYS 7 2HD LYS 7 2.023 2.418 8.354
48 2HD LYS 7 1HD LYS 7 0.763 1.441 9.109
49 1HE LYS 7 2HE LYS 7 2.449 1.051 10.646
50 2HE LYS 7 1HE LYS 7 2.886 -0.209 9.475
51 1HZ LYS 7 1HZ LYS 7 3.905 2.585 9.485
52 2HZ LYS 7 2HZ LYS 7 4.293 1.401 8.329
53 3HZ LYS 7 3HZ LYS 7 4.787 1.211 9.943
54 H SER 8 H SER 8 -2.390 2.883 7.290
55 HA SER 8 HA SER 8 -4.020 2.974 4.995
56 1HB SER 8 2HB SER 8 -3.633 4.386 7.417
57 2HB SER 8 1HB SER 8 -3.622 5.601 6.142
58 HG SER 8 HG SER 8 -5.731 4.855 7.089
59 H CYS 9 H CYS 9 -3.752 3.800 2.956
60 HA CYS 9 HA CYS 9 -1.689 5.860 2.400
61 1HB CYS 9 2HB CYS 9 -0.720 4.374 0.606
62 2HB CYS 9 1HB CYS 9 -0.458 3.764 2.238
63 H VAL 10 H VAL 10 -1.767 5.947 -0.320
64 HA VAL 10 HA VAL 10 -4.692 6.197 -0.956
65 HB VAL 10 HB VAL 10 -2.281 7.797 -1.880
66 1HG1 VAL 10 1HG1 VAL 10 -4.126 9.285 -2.853
67 2HG1 VAL 10 2HG1 VAL 10 -5.212 7.915 -2.622
68 3HG1 VAL 10 3HG1 VAL 10 -3.824 7.769 -3.700
69 1HG2 VAL 10 1HG2 VAL 10 -2.668 8.840 0.105
70 2HG2 VAL 10 2HG2 VAL 10 -4.238 8.064 0.306
71 3HG2 VAL 10 3HG2 VAL 10 -4.091 9.511 -0.691
72 HA PRO 11 HA PRO 11 -3.570 3.097 -3.999
73 1HB PRO 11 2HB PRO 11 -6.098 2.792 -5.017
74 2HB PRO 11 1HB PRO 11 -5.572 2.044 -3.496
75 1HG PRO 11 2HG PRO 11 -7.176 4.516 -3.931
76 2HG PRO 11 1HG PRO 11 -7.369 3.245 -2.713
77 1HD PRO 11 2HD PRO 11 -6.214 5.644 -2.177
78 2HD PRO 11 1HD PRO 11 -5.776 4.144 -1.328
79 H GLY 12 H GLY 12 -2.635 3.691 -5.915
80 1HA GLY 12 2HA GLY 12 -3.112 4.458 -8.266
81 2HA GLY 12 1HA GLY 12 -3.970 5.821 -7.545
82 H LYS 13 H LYS 13 -2.187 6.517 -5.491
83 HA LYS 13 HA LYS 13 -0.033 7.794 -7.068
84 1HB LYS 13 2HB LYS 13 -1.624 8.338 -4.736
85 2HB LYS 13 1HB LYS 13 0.078 8.399 -4.277
86 1HG LYS 13 2HG LYS 13 -1.024 9.833 -6.707
87 2HG LYS 13 1HG LYS 13 -0.893 10.593 -5.122
88 1HD LYS 13 2HD LYS 13 1.607 9.600 -5.330
89 2HD LYS 13 1HD LYS 13 1.252 9.834 -7.041
90 1HE LYS 13 2HE LYS 13 0.719 12.033 -5.029
91 2HE LYS 13 1HE LYS 13 2.310 11.837 -5.789
92 1HZ LYS 13 1HZ LYS 13 1.176 11.800 -7.965
93 2HZ LYS 13 2HZ LYS 13 0.972 13.277 -7.151
94 3HZ LYS 13 3HZ LYS 13 -0.294 12.145 -7.191
95 H ASN 14 H ASN 14 -0.435 5.026 -5.043
96 HA ASN 14 HA ASN 14 1.086 3.446 -4.202
97 1HB ASN 14 2HB ASN 14 2.202 4.667 -6.593
98 2HB ASN 14 1HB ASN 14 3.485 4.158 -5.495
99 1HD2 ASN 14 1HD2 ASN 14 1.547 3.026 -7.986
100 2HD2 ASN 14 2HD2 ASN 14 1.616 1.365 -7.641
101 H GLU 15 H GLU 15 0.954 4.559 -2.100
102 HA GLU 15 HA GLU 15 3.378 6.190 -1.421
103 1HB GLU 15 2HB GLU 15 0.514 6.124 -0.636
104 2HB GLU 15 1HB GLU 15 1.651 6.462 0.669
105 1HG GLU 15 2HG GLU 15 2.386 8.440 -0.292
106 2HG GLU 15 1HG GLU 15 1.993 7.913 -1.928
107 H CYS 16 H CYS 16 3.450 3.263 -1.623
108 HA CYS 16 HA CYS 16 3.808 2.512 1.263
109 1HB CYS 16 2HB CYS 16 3.105 0.889 -1.204
110 2HB CYS 16 1HB CYS 16 3.397 0.189 0.388
111 H CYS 17 H CYS 17 5.460 0.518 1.307
112 HA CYS 17 HA CYS 17 8.028 1.521 0.412
113 1HB CYS 17 2HB CYS 17 7.347 0.075 2.460
114 2HB CYS 17 1HB CYS 17 7.398 -1.287 1.342
115 H SER 18 H SER 18 9.528 0.177 -0.979
116 HA SER 18 HA SER 18 8.505 -0.339 -3.575
117 1HB SER 18 2HB SER 18 10.934 -0.055 -2.479
118 2HB SER 18 1HB SER 18 10.902 -1.815 -2.561
119 HG SER 18 HG SER 18 10.700 -1.715 -4.730
120 H GLY 19 H GLY 19 7.245 -2.017 -4.281
121 1HA GLY 19 2HA GLY 19 6.946 -4.440 -4.589
122 2HA GLY 19 1HA GLY 19 7.529 -4.673 -2.941
123 H TYR 20 H TYR 20 5.901 -2.387 -1.916
124 HA TYR 20 HA TYR 20 3.371 -3.880 -1.568
125 1HB TYR 20 2HB TYR 20 4.763 -1.530 -0.296
126 2HB TYR 20 1HB TYR 20 3.053 -1.812 0.026
127 HD1 TYR 20 HD1 TYR 20 6.466 -3.145 0.416
128 HD2 TYR 20 HD2 TYR 20 2.302 -3.771 1.268
129 HE1 TYR 20 HE1 TYR 20 7.066 -4.901 2.059
130 HE2 TYR 20 HE2 TYR 20 2.903 -5.527 2.913
131 HH TYR 20 HH TYR 20 5.631 -5.872 4.319
132 H ALA 21 H ALA 21 1.361 -3.116 -2.266
133 HA ALA 21 HA ALA 21 1.347 -0.615 -3.928
134 1HB ALA 21 1HB ALA 21 0.272 -3.396 -4.392
135 2HB ALA 21 2HB ALA 21 1.285 -2.417 -5.454
136 3HB ALA 21 3HB ALA 21 -0.419 -2.014 -5.243
137 H CYS 22 H CYS 22 -0.222 0.825 -3.297
138 HA CYS 22 HA CYS 22 -2.008 0.214 -1.075
139 1HB CYS 22 2HB CYS 22 -0.816 2.408 -1.704
140 2HB CYS 22 1HB CYS 22 -2.065 2.605 -2.933
141 H ASN 23 H ASN 23 -3.988 -0.762 -1.305
142 HA ASN 23 HA ASN 23 -5.329 -0.655 -3.988
143 1HB ASN 23 2HB ASN 23 -4.514 -2.811 -2.623
144 2HB ASN 23 1HB ASN 23 -6.081 -2.597 -1.840
145 1HD2 ASN 23 1HD2 ASN 23 -7.692 -3.787 -2.872
146 2HD2 ASN 23 2HD2 ASN 23 -7.761 -4.104 -4.537
147 H SER 24 H SER 24 -7.802 -0.788 -3.792
148 HA SER 24 HA SER 24 -8.721 1.271 -1.863
149 1HB SER 24 2HB SER 24 -9.686 0.026 -4.421
150 2HB SER 24 1HB SER 24 -10.838 0.875 -3.395
151 HG SER 24 HG SER 24 -9.783 2.216 -4.976
152 H ARG 25 H ARG 25 -8.634 -2.137 -2.016
153 HA ARG 25 HA ARG 25 -11.201 -2.831 -0.911
154 1HB ARG 25 2HB ARG 25 -9.621 -4.382 -2.036
155 2HB ARG 25 1HB ARG 25 -8.486 -4.182 -0.702
156 1HG ARG 25 2HG ARG 25 -9.524 -5.985 0.203
157 2HG ARG 25 1HG ARG 25 -10.809 -4.851 0.619
158 1HD ARG 25 2HD ARG 25 -11.867 -5.333 -1.623
159 2HD ARG 25 1HD ARG 25 -10.661 -6.615 -1.847
160 HE ARG 25 HE ARG 25 -12.053 -6.753 0.727
161 1HH1 ARG 25 1HH2 ARG 25 -11.032 -9.198 -0.542
162 2HH1 ARG 25 2HH2 ARG 25 -12.452 -9.912 -1.230
163 1HH2 ARG 25 2HH1 ARG 25 -14.330 -6.997 -1.051
164 2HH2 ARG 25 1HH1 ARG 25 -14.322 -8.664 -1.519
165 H ASP 26 H ASP 26 -7.994 -2.644 0.697
166 HA ASP 26 HA ASP 26 -9.401 -2.230 3.304
167 1HB ASP 26 2HB ASP 26 -6.587 -3.109 2.586
168 2HB ASP 26 1HB ASP 26 -7.214 -2.980 4.229
169 H LYS 27 H LYS 27 -7.825 -0.466 0.892
170 HA LYS 27 HA LYS 27 -7.072 1.756 0.808
171 1HB LYS 27 2HB LYS 27 -9.052 1.581 2.717
172 2HB LYS 27 1HB LYS 27 -7.733 2.331 3.616
173 1HG LYS 27 2HG LYS 27 -7.607 3.731 1.280
174 2HG LYS 27 1HG LYS 27 -9.338 3.403 1.374
175 1HD LYS 27 2HD LYS 27 -9.577 4.987 2.950
176 2HD LYS 27 1HD LYS 27 -8.410 4.157 3.981
177 1HE LYS 27 2HE LYS 27 -6.596 5.259 2.489
178 2HE LYS 27 1HE LYS 27 -7.900 6.337 1.953
179 1HZ LYS 27 1HZ LYS 27 -8.404 6.828 4.265
180 2HZ LYS 27 2HZ LYS 27 -6.787 7.220 3.921
181 3HZ LYS 27 3HZ LYS 27 -7.155 5.803 4.783
182 H TRP 28 H TRP 28 -5.386 -0.550 2.211
183 HA TRP 28 HA TRP 28 -3.384 1.364 3.352
184 1HB TRP 28 2HB TRP 28 -2.805 -0.371 5.006
185 2HB TRP 28 1HB TRP 28 -4.496 0.081 5.128
186 HD1 TRP 28 HD1 TRP 28 -3.207 -2.390 2.462
187 HE1 TRP 28 HE1 TRP 28 -4.248 -4.695 2.930
188 HE3 TRP 28 HE3 TRP 28 -5.521 -1.422 6.907
189 HZ2 TRP 28 HZ2 TRP 28 -5.849 -5.968 4.925
190 HZ3 TRP 28 HZ3 TRP 28 -6.794 -3.202 8.072
191 HH2 TRP 28 HH2 TRP 28 -6.961 -5.472 7.087
192 H CYS 29 H CYS 29 -1.172 -0.121 3.576
193 HA CYS 29 HA CYS 29 -0.385 -0.592 0.815
194 1HB CYS 29 2HB CYS 29 0.941 -0.959 3.513
195 2HB CYS 29 1HB CYS 29 1.781 -1.235 1.987
196 H LYS 30 H LYS 30 -0.370 -2.517 -0.268
197 HA LYS 30 HA LYS 30 -0.771 -5.040 1.310
198 1HB LYS 30 2HB LYS 30 -2.127 -3.851 -1.071
199 2HB LYS 30 1HB LYS 30 -1.894 -5.600 -1.080
200 1HG LYS 30 2HG LYS 30 -2.929 -5.668 1.222
201 2HG LYS 30 1HG LYS 30 -3.319 -3.960 1.031
202 1HD LYS 30 2HD LYS 30 -5.280 -5.122 0.353
203 2HD LYS 30 1HD LYS 30 -4.496 -4.628 -1.148
204 1HE LYS 30 2HE LYS 30 -4.345 -6.792 -1.800
205 2HE LYS 30 1HE LYS 30 -3.444 -7.193 -0.324
206 1HZ LYS 30 1HZ LYS 30 -5.534 -8.391 -0.365
207 2HZ LYS 30 2HZ LYS 30 -6.400 -6.942 -0.559
208 3HZ LYS 30 3HZ LYS 30 -5.557 -7.246 0.886
209 H VAL 31 H VAL 31 0.537 -6.774 0.696
210 HA VAL 31 HA VAL 31 2.966 -6.252 -0.744
211 HB VAL 31 HB VAL 31 2.502 -7.959 1.079
212 1HG1 VAL 31 1HG1 VAL 31 1.516 -9.747 -1.138
213 2HG1 VAL 31 2HG1 VAL 31 0.386 -8.772 -0.198
214 3HG1 VAL 31 3HG1 VAL 31 1.389 -9.978 0.606
215 1HG2 VAL 31 1HG2 VAL 31 3.628 -9.477 -1.231
216 2HG2 VAL 31 2HG2 VAL 31 4.285 -9.246 0.389
217 3HG2 VAL 31 3HG2 VAL 31 4.412 -7.955 -0.806
218 H LEU 32 H LEU 32 3.536 -6.721 -2.883
219 HA LEU 32 HA LEU 32 1.345 -7.705 -4.692
220 1HB LEU 32 2HB LEU 32 2.050 -5.235 -4.752
221 2HB LEU 32 1HB LEU 32 3.594 -5.799 -5.390
222 HG LEU 32 HG LEU 32 1.604 -7.130 -6.893
223 1HD1 LEU 32 1HD1 LEU 32 1.052 -4.163 -6.591
224 2HD1 LEU 32 2HD1 LEU 32 -0.029 -5.475 -6.118
225 3HD1 LEU 32 3HD1 LEU 32 0.338 -5.205 -7.822
226 1HD2 LEU 32 1HD2 LEU 32 2.631 -5.998 -8.739
227 2HD2 LEU 32 2HD2 LEU 32 3.908 -6.242 -7.547
228 3HD2 LEU 32 3HD2 LEU 32 3.150 -4.658 -7.715
229 H LEU 33 H LEU 33 3.612 -9.204 -3.307
230 HA LEU 33 HA LEU 33 4.694 -10.497 -5.755
231 1HB LEU 33 1HB LEU 33 6.995 -10.355 -4.773
232 2HB LEU 33 2HB LEU 33 6.317 -8.774 -5.153
233 HG LEU 33 HG LEU 33 5.550 -9.524 -2.476
234 1HD1 LEU 33 1HD1 LEU 33 8.491 -9.719 -3.162
235 2HD1 LEU 33 2HD1 LEU 33 7.911 -9.393 -1.528
236 3HD1 LEU 33 3HD1 LEU 33 7.497 -10.911 -2.324
237 1HD2 LEU 33 1HD2 LEU 33 5.720 -7.222 -3.494
238 2HD2 LEU 33 2HD2 LEU 33 6.531 -7.376 -1.936
239 3HD2 LEU 33 3HD2 LEU 33 7.476 -7.383 -3.425
240 1HN NH2 34 1HN NH2 34 3.130 -12.521 -3.031
241 2HN NH2 34 2HN NH2 34 2.753 -11.024 -3.913
Start of MODEL 5
1 1H GLU 1 1H GLU 1 -0.231 4.725 -9.922
2 2H GLU 1 2H GLU 1 -1.312 5.338 -8.763
3 3H GLU 1 3H GLU 1 -0.909 6.267 -10.126
4 HA GLU 1 HA GLU 1 -3.129 5.271 -10.350
5 1HB GLU 1 2HB GLU 1 -1.409 5.758 -12.206
6 2HB GLU 1 1HB GLU 1 -1.110 4.021 -12.229
7 1HG GLU 1 2HG GLU 1 -2.819 3.974 -13.733
8 2HG GLU 1 1HG GLU 1 -3.846 4.086 -12.305
9 H CYS 2 H CYS 2 -3.376 3.798 -8.432
10 HA CYS 2 HA CYS 2 -3.801 1.681 -7.493
11 1HB CYS 2 2HB CYS 2 -4.204 1.546 -10.408
12 2HB CYS 2 1HB CYS 2 -3.932 -0.027 -9.660
13 H LYS 3 H LYS 3 -1.630 1.600 -6.524
14 HA LYS 3 HA LYS 3 0.572 0.313 -7.967
15 1HB LYS 3 2HB LYS 3 0.015 1.491 -5.284
16 2HB LYS 3 1HB LYS 3 1.327 0.316 -5.374
17 1HG LYS 3 2HG LYS 3 2.667 1.718 -6.556
18 2HG LYS 3 1HG LYS 3 1.336 2.285 -7.565
19 1HD LYS 3 2HD LYS 3 0.544 3.704 -5.685
20 2HD LYS 3 1HD LYS 3 1.930 3.178 -4.728
21 1HE LYS 3 2HE LYS 3 3.472 4.141 -6.395
22 2HE LYS 3 1HE LYS 3 2.090 4.650 -7.385
23 1HZ LYS 3 1HZ LYS 3 1.261 5.948 -5.538
24 2HZ LYS 3 2HZ LYS 3 2.848 6.432 -5.901
25 3HZ LYS 3 3HZ LYS 3 2.548 5.442 -4.554
26 H GLY 4 H GLY 4 1.344 -1.815 -7.624
27 1HA GLY 4 2HA GLY 4 -0.674 -3.720 -6.587
28 2HA GLY 4 1HA GLY 4 0.748 -4.140 -7.541
29 H PHE 5 H PHE 5 0.239 -5.630 -5.301
30 HA PHE 5 HA PHE 5 1.365 -4.750 -2.836
31 1HB PHE 5 2HB PHE 5 -0.023 -6.778 -3.215
32 2HB PHE 5 1HB PHE 5 1.314 -7.513 -4.099
33 HD1 PHE 5 HD1 PHE 5 -0.029 -6.676 -0.813
34 HD2 PHE 5 HD2 PHE 5 3.450 -8.063 -2.918
35 HE1 PHE 5 HE1 PHE 5 0.948 -7.473 1.321
36 HE2 PHE 5 HE2 PHE 5 4.425 -8.857 -0.782
37 HZ PHE 5 HZ PHE 5 3.174 -8.561 1.338
38 H GLY 6 H GLY 6 3.485 -4.785 -2.039
39 1HA GLY 6 2HA GLY 6 5.826 -5.156 -2.038
40 2HA GLY 6 1HA GLY 6 5.663 -6.011 -3.571
41 H LYS 7 H LYS 7 4.286 -2.806 -3.210
42 HA LYS 7 HA LYS 7 6.505 -1.705 -4.902
43 1HB LYS 7 2HB LYS 7 4.257 -2.220 -6.000
44 2HB LYS 7 1HB LYS 7 3.567 -0.958 -4.978
45 1HG LYS 7 2HG LYS 7 4.104 0.114 -7.036
46 2HG LYS 7 1HG LYS 7 5.374 0.589 -5.909
47 1HD LYS 7 2HD LYS 7 6.944 -0.326 -7.237
48 2HD LYS 7 1HD LYS 7 6.123 -1.884 -7.177
49 1HE LYS 7 2HE LYS 7 5.920 -1.487 -9.448
50 2HE LYS 7 1HE LYS 7 4.487 -0.591 -8.913
51 1HZ LYS 7 1HZ LYS 7 7.219 0.541 -9.240
52 2HZ LYS 7 2HZ LYS 7 5.855 1.398 -8.697
53 3HZ LYS 7 3HZ LYS 7 5.913 0.805 -10.288
54 H SER 8 H SER 8 7.342 0.254 -4.194
55 HA SER 8 HA SER 8 7.094 1.206 -1.581
56 1HB SER 8 2HB SER 8 7.814 2.481 -4.216
57 2HB SER 8 1HB SER 8 7.857 3.425 -2.731
58 HG SER 8 HG SER 8 9.463 1.317 -3.577
59 H CYS 9 H CYS 9 5.443 2.180 -0.490
60 HA CYS 9 HA CYS 9 3.478 3.856 -2.005
61 1HB CYS 9 2HB CYS 9 2.447 1.708 -1.836
62 2HB CYS 9 1HB CYS 9 3.007 1.488 -0.180
63 H VAL 10 H VAL 10 2.713 5.627 -0.814
64 HA VAL 10 HA VAL 10 4.144 6.261 1.694
65 HB VAL 10 HB VAL 10 2.222 7.754 -0.124
66 1HG1 VAL 10 1HG1 VAL 10 3.196 9.749 1.274
67 2HG1 VAL 10 2HG1 VAL 10 3.501 8.512 2.493
68 3HG1 VAL 10 3HG1 VAL 10 1.855 8.811 1.934
69 1HG2 VAL 10 1HG2 VAL 10 5.207 8.004 0.388
70 2HG2 VAL 10 2HG2 VAL 10 4.268 9.052 -0.676
71 3HG2 VAL 10 3HG2 VAL 10 4.458 7.343 -1.066
72 HA PRO 11 HA PRO 11 0.578 4.671 3.917
73 1HB PRO 11 2HB PRO 11 1.631 5.024 6.421
74 2HB PRO 11 1HB PRO 11 2.060 3.658 5.372
75 1HG PRO 11 2HG PRO 11 3.559 6.169 5.916
76 2HG PRO 11 1HG PRO 11 4.160 4.518 5.695
77 1HD PRO 11 2HD PRO 11 4.265 6.441 3.758
78 2HD PRO 11 1HD PRO 11 4.197 4.698 3.417
79 H GLY 12 H GLY 12 -1.213 5.836 4.522
80 1HA GLY 12 2HA GLY 12 -2.091 7.622 6.082
81 2HA GLY 12 1HA GLY 12 -0.807 8.655 5.452
82 H LYS 13 H LYS 13 -0.907 8.262 2.758
83 HA LYS 13 HA LYS 13 -3.522 9.475 2.040
84 1HB LYS 13 2HB LYS 13 -0.740 9.351 0.966
85 2HB LYS 13 1HB LYS 13 -2.039 9.582 -0.205
86 1HG LYS 13 2HG LYS 13 -2.887 11.483 1.196
87 2HG LYS 13 1HG LYS 13 -1.464 11.303 2.224
88 1HD LYS 13 2HD LYS 13 -1.061 11.556 -0.733
89 2HD LYS 13 1HD LYS 13 -1.456 13.008 0.188
90 1HE LYS 13 2HE LYS 13 0.443 12.351 1.783
91 2HE LYS 13 1HE LYS 13 0.931 11.175 0.547
92 1HZ LYS 13 1HZ LYS 13 0.503 14.081 0.074
93 2HZ LYS 13 2HZ LYS 13 1.000 12.942 -1.086
94 3HZ LYS 13 3HZ LYS 13 2.018 13.331 0.217
95 H ASN 14 H ASN 14 -2.414 6.354 2.231
96 HA ASN 14 HA ASN 14 -2.978 4.329 1.177
97 1HB ASN 14 2HB ASN 14 -5.318 6.183 0.763
98 2HB ASN 14 1HB ASN 14 -5.367 4.539 0.128
99 1HD2 ASN 14 1HD2 ASN 14 -5.928 2.895 1.594
100 2HD2 ASN 14 2HD2 ASN 14 -6.009 3.101 3.277
101 H GLU 15 H GLU 15 -1.143 4.717 -0.365
102 HA GLU 15 HA GLU 15 -1.943 5.611 -3.090
103 1HB GLU 15 2HB GLU 15 0.650 5.024 -1.648
104 2HB GLU 15 1HB GLU 15 0.609 5.276 -3.392
105 1HG GLU 15 2HG GLU 15 -0.892 7.395 -2.480
106 2HG GLU 15 1HG GLU 15 0.319 7.231 -1.207
107 H CYS 16 H CYS 16 -3.314 3.380 -2.772
108 HA CYS 16 HA CYS 16 -1.818 1.324 -4.328
109 1HB CYS 16 2HB CYS 16 -2.994 1.099 -1.575
110 2HB CYS 16 1HB CYS 16 -3.035 -0.315 -2.628
111 H CYS 17 H CYS 17 -3.432 -0.427 -5.082
112 HA CYS 17 HA CYS 17 -5.792 0.884 -6.228
113 1HB CYS 17 2HB CYS 17 -4.102 -0.956 -7.135
114 2HB CYS 17 1HB CYS 17 -5.244 -2.061 -6.370
115 H SER 18 H SER 18 -7.960 -0.318 -6.103
116 HA SER 18 HA SER 18 -8.964 -0.417 -3.454
117 1HB SER 18 2HB SER 18 -10.936 -1.447 -4.569
118 2HB SER 18 1HB SER 18 -10.304 -0.087 -5.491
119 HG SER 18 HG SER 18 -9.936 -1.420 -7.065
120 H GLY 19 H GLY 19 -8.985 -2.021 -1.908
121 1HA GLY 19 2HA GLY 19 -9.160 -4.366 -1.236
122 2HA GLY 19 1HA GLY 19 -8.346 -4.816 -2.735
123 H TYR 20 H TYR 20 -6.219 -2.932 -2.639
124 HA TYR 20 HA TYR 20 -4.593 -4.113 -0.430
125 1HB TYR 20 2HB TYR 20 -3.972 -2.810 -3.095
126 2HB TYR 20 1HB TYR 20 -2.719 -3.248 -1.936
127 HD1 TYR 20 HD1 TYR 20 -2.210 -5.589 -1.444
128 HD2 TYR 20 HD2 TYR 20 -5.282 -4.525 -4.252
129 HE1 TYR 20 HE1 TYR 20 -2.257 -7.924 -2.279
130 HE2 TYR 20 HE2 TYR 20 -5.329 -6.858 -5.086
131 HH TYR 20 HH TYR 20 -3.204 -8.904 -4.938
132 H ALA 21 H ALA 21 -3.846 -2.793 1.201
133 HA ALA 21 HA ALA 21 -4.209 0.176 0.897
134 1HB ALA 21 1HB ALA 21 -5.385 -1.571 2.662
135 2HB ALA 21 2HB ALA 21 -5.162 0.150 2.973
136 3HB ALA 21 3HB ALA 21 -3.993 -1.017 3.592
137 H CYS 22 H CYS 22 -2.545 1.500 1.961
138 HA CYS 22 HA CYS 22 0.144 0.561 1.545
139 1HB CYS 22 2HB CYS 22 -1.067 2.960 1.725
140 2HB CYS 22 1HB CYS 22 -0.419 2.858 3.363
141 H ASN 23 H ASN 23 1.741 -0.024 3.085
142 HA ASN 23 HA ASN 23 0.685 -0.844 5.773
143 1HB ASN 23 2HB ASN 23 1.695 -2.372 3.781
144 2HB ASN 23 1HB ASN 23 3.187 -1.985 4.637
145 1HD2 ASN 23 1HD2 ASN 23 3.624 -3.209 6.500
146 2HD2 ASN 23 2HD2 ASN 23 2.494 -4.203 7.283
147 H SER 24 H SER 24 2.346 -0.805 7.534
148 HA SER 24 HA SER 24 4.139 1.581 7.274
149 1HB SER 24 2HB SER 24 2.678 0.224 9.544
150 2HB SER 24 1HB SER 24 3.958 1.397 9.847
151 HG SER 24 HG SER 24 1.400 1.744 8.841
152 H ARG 25 H ARG 25 4.029 -1.808 8.373
153 HA ARG 25 HA ARG 25 6.629 -2.027 9.498
154 1HB ARG 25 2HB ARG 25 4.622 -3.651 9.437
155 2HB ARG 25 1HB ARG 25 5.237 -4.160 7.865
156 1HG ARG 25 2HG ARG 25 7.303 -4.030 9.956
157 2HG ARG 25 1HG ARG 25 6.038 -5.215 10.281
158 1HD ARG 25 2HD ARG 25 6.554 -6.485 8.396
159 2HD ARG 25 1HD ARG 25 7.240 -5.098 7.527
160 HE ARG 25 HE ARG 25 8.646 -6.736 9.526
161 1HH1 ARG 25 2HH1 ARG 25 9.543 -5.392 6.838
162 2HH1 ARG 25 1HH1 ARG 25 10.711 -4.268 7.449
163 1HH2 ARG 25 1HH2 ARG 25 9.679 -4.587 10.754
164 2HH2 ARG 25 2HH2 ARG 25 10.788 -3.812 9.673
165 H ASP 26 H ASP 26 5.570 -2.580 6.114
166 HA ASP 26 HA ASP 26 8.445 -2.635 5.274
167 1HB ASP 26 2HB ASP 26 5.861 -3.565 3.989
168 2HB ASP 26 1HB ASP 26 7.435 -3.659 3.203
169 H LYS 27 H LYS 27 5.756 -0.546 5.365
170 HA LYS 27 HA LYS 27 5.302 1.523 4.353
171 1HB LYS 27 2HB LYS 27 7.933 1.401 4.969
172 2HB LYS 27 1HB LYS 27 8.054 1.642 3.227
173 1HG LYS 27 2HG LYS 27 6.031 3.396 4.291
174 2HG LYS 27 1HG LYS 27 7.523 3.603 5.208
175 1HD LYS 27 2HD LYS 27 7.868 3.408 2.273
176 2HD LYS 27 1HD LYS 27 7.023 4.850 2.836
177 1HE LYS 27 2HE LYS 27 9.438 4.137 4.405
178 2HE LYS 27 1HE LYS 27 9.742 4.667 2.739
179 1HZ LYS 27 1HZ LYS 27 8.364 6.594 3.103
180 2HZ LYS 27 2HZ LYS 27 9.573 6.547 4.295
181 3HZ LYS 27 3HZ LYS 27 7.984 6.083 4.675
182 H TRP 28 H TRP 28 4.659 -0.808 2.781
183 HA TRP 28 HA TRP 28 4.856 0.408 0.072
184 1HB TRP 28 2HB TRP 28 5.536 -1.736 -0.894
185 2HB TRP 28 1HB TRP 28 6.691 -1.229 0.326
186 HD1 TRP 28 HD1 TRP 28 3.627 -2.595 1.946
187 HE1 TRP 28 HE1 TRP 28 4.048 -5.004 2.747
188 HE3 TRP 28 HE3 TRP 28 8.032 -3.571 -0.447
189 HZ2 TRP 28 HZ2 TRP 28 5.989 -7.075 2.424
190 HZ3 TRP 28 HZ3 TRP 28 9.145 -5.767 -0.180
191 HH2 TRP 28 HH2 TRP 28 8.131 -7.520 1.251
192 H CYS 29 H CYS 29 3.504 -1.469 -1.391
193 HA CYS 29 HA CYS 29 0.766 -1.100 -0.460
194 1HB CYS 29 2HB CYS 29 1.915 -1.181 -2.858
195 2HB CYS 29 1HB CYS 29 1.529 -2.897 -2.730
196 H LYS 30 H LYS 30 -0.363 -2.496 0.796
197 HA LYS 30 HA LYS 30 0.416 -5.391 0.848
198 1HB LYS 30 2HB LYS 30 1.203 -3.811 2.771
199 2HB LYS 30 1HB LYS 30 -0.488 -3.830 3.269
200 1HG LYS 30 2HG LYS 30 -0.148 -5.805 4.286
201 2HG LYS 30 1HG LYS 30 0.252 -6.522 2.727
202 1HD LYS 30 2HD LYS 30 2.498 -6.433 3.107
203 2HD LYS 30 1HD LYS 30 2.395 -4.891 3.958
204 1HE LYS 30 2HE LYS 30 1.520 -6.028 5.961
205 2HE LYS 30 1HE LYS 30 1.580 -7.584 5.111
206 1HZ LYS 30 1HZ LYS 30 3.600 -7.250 6.388
207 2HZ LYS 30 2HZ LYS 30 3.888 -5.772 5.600
208 3HZ LYS 30 3HZ LYS 30 3.953 -7.231 4.730
209 H VAL 31 H VAL 31 -1.495 -6.608 2.113
210 HA VAL 31 HA VAL 31 -3.996 -5.895 0.716
211 HB VAL 31 HB VAL 31 -3.363 -8.171 2.627
212 1HG1 VAL 31 1HG1 VAL 31 -5.218 -9.295 1.469
213 2HG1 VAL 31 2HG1 VAL 31 -5.442 -7.883 0.436
214 3HG1 VAL 31 3HG1 VAL 31 -5.767 -7.770 2.165
215 1HG2 VAL 31 1HG2 VAL 31 -3.246 -9.315 0.190
216 2HG2 VAL 31 2HG2 VAL 31 -1.820 -8.641 0.978
217 3HG2 VAL 31 3HG2 VAL 31 -2.681 -7.701 -0.240
218 H LEU 32 H LEU 32 -5.808 -5.042 1.727
219 HA LEU 32 HA LEU 32 -5.568 -3.741 4.282
220 1HB LEU 32 2HB LEU 32 -7.035 -3.172 2.271
221 2HB LEU 32 1HB LEU 32 -8.103 -4.474 2.796
222 HG LEU 32 HG LEU 32 -7.591 -2.957 5.113
223 1HD1 LEU 32 1HD1 LEU 32 -6.947 -0.948 4.225
224 2HD1 LEU 32 2HD1 LEU 32 -8.682 -0.757 3.970
225 3HD1 LEU 32 3HD1 LEU 32 -7.650 -1.301 2.647
226 1HD2 LEU 32 1HD2 LEU 32 -9.995 -2.827 3.265
227 2HD2 LEU 32 2HD2 LEU 32 -9.979 -2.492 4.996
228 3HD2 LEU 32 3HD2 LEU 32 -9.695 -4.131 4.413
229 H LEU 33 H LEU 33 -7.299 -6.698 3.270
230 HA LEU 33 HA LEU 33 -7.745 -7.362 6.160
231 1HB LEU 33 1HB LEU 33 -9.133 -8.062 3.566
232 2HB LEU 33 2HB LEU 33 -9.460 -8.948 5.055
233 HG LEU 33 HG LEU 33 -9.602 -5.936 4.977
234 1HD1 LEU 33 1HD1 LEU 33 -11.098 -7.098 3.216
235 2HD1 LEU 33 2HD1 LEU 33 -11.996 -7.735 4.594
236 3HD1 LEU 33 3HD1 LEU 33 -11.882 -5.993 4.346
237 1HD2 LEU 33 1HD2 LEU 33 -10.865 -8.087 6.707
238 2HD2 LEU 33 2HD2 LEU 33 -9.556 -7.003 7.178
239 3HD2 LEU 33 3HD2 LEU 33 -11.169 -6.358 6.874
240 1HN NH2 34 1HN NH2 34 -7.056 -10.894 4.496
241 2HN NH2 34 2HN NH2 34 -8.513 -9.881 4.388
Start of MODEL 6
1 1H GLU 1 1H GLU 1 8.307 7.555 3.626
2 2H GLU 1 2H GLU 1 8.666 6.056 4.342
3 3H GLU 1 3H GLU 1 7.367 6.193 3.255
4 HA GLU 1 HA GLU 1 8.900 6.682 1.436
5 1HB GLU 1 2HB GLU 1 10.650 6.871 3.821
6 2HB GLU 1 1HB GLU 1 11.386 6.092 2.421
7 1HG GLU 1 2HG GLU 1 9.861 8.628 1.977
8 2HG GLU 1 1HG GLU 1 11.460 8.738 2.713
9 H CYS 2 H CYS 2 8.423 4.804 0.367
10 HA CYS 2 HA CYS 2 8.341 2.518 -0.192
11 1HB CYS 2 2HB CYS 2 10.769 2.956 -0.223
12 2HB CYS 2 1HB CYS 2 10.863 2.599 1.500
13 H LYS 3 H LYS 3 6.383 2.268 1.178
14 HA LYS 3 HA LYS 3 6.650 1.307 3.932
15 1HB LYS 3 2HB LYS 3 4.374 1.472 1.932
16 2HB LYS 3 1HB LYS 3 4.160 0.941 3.599
17 1HG LYS 3 2HG LYS 3 5.672 3.384 3.597
18 2HG LYS 3 1HG LYS 3 4.223 3.611 2.618
19 1HD LYS 3 2HD LYS 3 2.906 2.568 4.527
20 2HD LYS 3 1HD LYS 3 4.375 2.690 5.497
21 1HE LYS 3 2HE LYS 3 3.495 5.153 4.043
22 2HE LYS 3 1HE LYS 3 2.572 4.670 5.479
23 1HZ LYS 3 1HZ LYS 3 5.530 4.958 5.341
24 2HZ LYS 3 2HZ LYS 3 4.645 4.477 6.710
25 3HZ LYS 3 3HZ LYS 3 4.471 6.049 6.091
26 H GLY 4 H GLY 4 6.298 -0.855 4.641
27 1HA GLY 4 2HA GLY 4 7.045 -2.933 2.710
28 2HA GLY 4 1HA GLY 4 6.798 -3.165 4.440
29 H PHE 5 H PHE 5 5.455 -5.017 4.116
30 HA PHE 5 HA PHE 5 2.924 -4.649 2.590
31 1HB PHE 5 2HB PHE 5 4.354 -6.665 2.294
32 2HB PHE 5 1HB PHE 5 4.144 -7.049 4.002
33 HD1 PHE 5 HD1 PHE 5 1.973 -7.798 4.876
34 HD2 PHE 5 HD2 PHE 5 2.524 -6.941 0.701
35 HE1 PHE 5 HE1 PHE 5 -0.158 -8.954 4.356
36 HE2 PHE 5 HE2 PHE 5 0.394 -8.100 0.185
37 HZ PHE 5 HZ PHE 5 -0.947 -9.104 2.010
38 H GLY 6 H GLY 6 0.945 -4.442 3.623
39 1HA GLY 6 2HA GLY 6 -0.634 -4.407 5.368
40 2HA GLY 6 1HA GLY 6 0.519 -5.284 6.373
41 H LYS 7 H LYS 7 1.425 -2.281 4.794
42 HA LYS 7 HA LYS 7 1.735 -1.018 7.479
43 1HB LYS 7 2HB LYS 7 3.540 -1.350 5.573
44 2HB LYS 7 1HB LYS 7 2.776 0.080 4.880
45 1HG LYS 7 2HG LYS 7 4.518 0.937 6.242
46 2HG LYS 7 1HG LYS 7 3.055 1.147 7.204
47 1HD LYS 7 2HD LYS 7 4.083 -0.008 8.846
48 2HD LYS 7 1HD LYS 7 3.936 -1.439 7.825
49 1HE LYS 7 2HE LYS 7 6.186 0.260 7.016
50 2HE LYS 7 1HE LYS 7 6.338 -0.324 8.685
51 1HZ LYS 7 1HZ LYS 7 5.992 -2.546 7.990
52 2HZ LYS 7 2HZ LYS 7 7.157 -1.903 6.935
53 3HZ LYS 7 3HZ LYS 7 5.547 -2.077 6.422
54 H SER 8 H SER 8 0.491 0.750 8.025
55 HA SER 8 HA SER 8 -1.902 1.466 6.778
56 1HB SER 8 2HB SER 8 0.055 2.933 8.545
57 2HB SER 8 1HB SER 8 -1.452 3.694 8.045
58 HG SER 8 HG SER 8 -0.992 1.634 9.816
59 H CYS 9 H CYS 9 -2.322 2.415 4.833
60 HA CYS 9 HA CYS 9 -0.605 4.610 3.827
61 1HB CYS 9 2HB CYS 9 0.478 2.554 3.039
62 2HB CYS 9 1HB CYS 9 -1.055 1.974 2.387
63 H VAL 10 H VAL 10 -1.756 5.987 2.433
64 HA VAL 10 HA VAL 10 -4.683 5.547 2.272
65 HB VAL 10 HB VAL 10 -2.874 7.872 1.519
66 1HG1 VAL 10 1HG1 VAL 10 -5.591 8.588 2.160
67 2HG1 VAL 10 2HG1 VAL 10 -5.593 7.380 0.876
68 3HG1 VAL 10 3HG1 VAL 10 -4.696 8.884 0.670
69 1HG2 VAL 10 1HG2 VAL 10 -2.695 7.727 3.845
70 2HG2 VAL 10 2HG2 VAL 10 -4.320 7.068 4.030
71 3HG2 VAL 10 3HG2 VAL 10 -4.098 8.780 3.670
72 HA PRO 11 HA PRO 11 -4.129 4.089 -1.921
73 1HB PRO 11 2HB PRO 11 -6.789 3.794 -2.501
74 2HB PRO 11 1HB PRO 11 -5.876 2.627 -1.525
75 1HG PRO 11 2HG PRO 11 -7.743 4.772 -0.652
76 2HG PRO 11 1HG PRO 11 -7.514 3.141 -0.005
77 1HD PRO 11 2HD PRO 11 -6.491 5.388 1.161
78 2HD PRO 11 1HD PRO 11 -5.769 3.772 1.329
79 H GLY 12 H GLY 12 -3.487 5.732 -3.281
80 1HA GLY 12 2HA GLY 12 -4.896 7.145 -5.069
81 2HA GLY 12 1HA GLY 12 -5.195 8.127 -3.633
82 H LYS 13 H LYS 13 -2.750 8.028 -2.343
83 HA LYS 13 HA LYS 13 -1.088 9.712 -4.124
84 1HB LYS 13 2HB LYS 13 -1.786 9.663 -1.408
85 2HB LYS 13 1HB LYS 13 -0.085 9.197 -1.433
86 1HG LYS 13 2HG LYS 13 -0.002 11.239 -3.196
87 2HG LYS 13 1HG LYS 13 -1.353 11.776 -2.197
88 1HD LYS 13 2HD LYS 13 1.036 10.752 -0.749
89 2HD LYS 13 1HD LYS 13 1.220 12.301 -1.570
90 1HE LYS 13 2HE LYS 13 -1.292 11.989 -0.010
91 2HE LYS 13 1HE LYS 13 0.203 12.085 0.942
92 1HZ LYS 13 1HZ LYS 13 -0.572 13.962 -1.233
93 2HZ LYS 13 2HZ LYS 13 0.847 14.048 -0.300
94 3HZ LYS 13 3HZ LYS 13 -0.668 14.298 0.427
95 H ASN 14 H ASN 14 -1.178 6.432 -3.031
96 HA ASN 14 HA ASN 14 0.304 4.629 -3.307
97 1HB ASN 14 2HB ASN 14 0.394 6.300 -5.555
98 2HB ASN 14 1HB ASN 14 2.088 5.988 -5.178
99 1HD2 ASN 14 1HD2 ASN 14 2.917 3.961 -5.791
100 2HD2 ASN 14 2HD2 ASN 14 1.966 2.661 -6.328
101 H GLU 15 H GLU 15 1.092 5.085 -1.078
102 HA GLU 15 HA GLU 15 3.736 6.461 -0.914
103 1HB GLU 15 2HB GLU 15 1.770 5.429 1.155
104 2HB GLU 15 1HB GLU 15 3.276 6.258 1.543
105 1HG GLU 15 2HG GLU 15 2.116 8.189 1.410
106 2HG GLU 15 1HG GLU 15 2.056 7.926 -0.333
107 H CYS 16 H CYS 16 2.639 3.350 -1.506
108 HA CYS 16 HA CYS 16 4.480 1.880 0.245
109 1HB CYS 16 2HB CYS 16 2.135 1.297 -0.927
110 2HB CYS 16 1HB CYS 16 3.213 0.680 -2.179
111 H CYS 17 H CYS 17 6.047 0.290 -0.839
112 HA CYS 17 HA CYS 17 7.890 1.754 -2.563
113 1HB CYS 17 2HB CYS 17 8.000 -0.287 -0.693
114 2HB CYS 17 1HB CYS 17 8.295 -1.137 -2.210
115 H SER 18 H SER 18 8.714 0.783 -4.632
116 HA SER 18 HA SER 18 6.675 0.358 -6.569
117 1HB SER 18 2HB SER 18 8.637 -0.339 -7.985
118 2HB SER 18 1HB SER 18 8.905 1.165 -7.110
119 HG SER 18 HG SER 18 10.659 0.082 -6.556
120 H GLY 19 H GLY 19 5.440 -1.433 -6.941
121 1HA GLY 19 2HA GLY 19 5.592 -3.899 -7.539
122 2HA GLY 19 1HA GLY 19 6.487 -4.087 -6.032
123 H TYR 20 H TYR 20 4.887 -2.337 -4.412
124 HA TYR 20 HA TYR 20 2.384 -3.979 -4.215
125 1HB TYR 20 2HB TYR 20 3.729 -2.321 -2.063
126 2HB TYR 20 1HB TYR 20 2.544 -3.605 -1.846
127 HD1 TYR 20 HD1 TYR 20 3.445 -5.813 -3.432
128 HD2 TYR 20 HD2 TYR 20 5.798 -2.978 -1.225
129 HE1 TYR 20 HE1 TYR 20 5.282 -7.468 -3.267
130 HE2 TYR 20 HE2 TYR 20 7.636 -4.632 -1.061
131 HH TYR 20 HH TYR 20 7.492 -7.564 -1.242
132 H ALA 21 H ALA 21 0.405 -2.915 -4.143
133 HA ALA 21 HA ALA 21 0.451 0.072 -4.457
134 1HB ALA 21 1HB ALA 21 -1.703 -0.347 -5.679
135 2HB ALA 21 2HB ALA 21 -1.463 -2.076 -5.429
136 3HB ALA 21 3HB ALA 21 -0.326 -1.162 -6.420
137 H CYS 22 H CYS 22 -0.751 1.270 -2.987
138 HA CYS 22 HA CYS 22 -1.757 0.004 -0.581
139 1HB CYS 22 2HB CYS 22 -1.980 2.806 -1.727
140 2HB CYS 22 1HB CYS 22 -2.462 2.371 -0.087
141 H ASN 23 H ASN 23 -3.757 -0.884 -0.296
142 HA ASN 23 HA ASN 23 -5.868 -0.389 -2.337
143 1HB ASN 23 2HB ASN 23 -6.809 -2.447 -1.483
144 2HB ASN 23 1HB ASN 23 -5.074 -2.690 -1.652
145 1HD2 ASN 23 1HD2 ASN 23 -6.694 -4.252 0.162
146 2HD2 ASN 23 2HD2 ASN 23 -6.198 -3.894 1.745
147 H SER 24 H SER 24 -8.197 -0.624 -1.161
148 HA SER 24 HA SER 24 -8.277 1.529 0.922
149 1HB SER 24 2HB SER 24 -9.361 1.585 -1.488
150 2HB SER 24 1HB SER 24 -10.620 0.619 -0.722
151 HG SER 24 HG SER 24 -11.287 2.354 0.248
152 H ARG 25 H ARG 25 -9.106 -1.820 0.293
153 HA ARG 25 HA ARG 25 -11.212 -2.268 2.134
154 1HB ARG 25 2HB ARG 25 -9.077 -3.797 0.776
155 2HB ARG 25 1HB ARG 25 -9.682 -4.550 2.252
156 1HG ARG 25 2HG ARG 25 -11.691 -3.444 0.337
157 2HG ARG 25 1HG ARG 25 -10.879 -4.946 -0.104
158 1HD ARG 25 2HD ARG 25 -11.795 -4.888 2.701
159 2HD ARG 25 1HD ARG 25 -13.108 -4.814 1.510
160 HE ARG 25 HE ARG 25 -11.199 -7.044 1.832
161 1HH1 ARG 25 2HH1 ARG 25 -14.251 -7.167 1.462
162 2HH1 ARG 25 1HH1 ARG 25 -14.356 -7.799 -0.147
163 1HH2 ARG 25 1HH2 ARG 25 -11.036 -7.121 -0.917
164 2HH2 ARG 25 2HH2 ARG 25 -12.532 -7.774 -1.497
165 H ASP 26 H ASP 26 -7.696 -2.731 2.737
166 HA ASP 26 HA ASP 26 -8.234 -2.538 5.673
167 1HB ASP 26 2HB ASP 26 -6.906 -4.400 4.218
168 2HB ASP 26 1HB ASP 26 -5.576 -3.303 4.582
169 H LYS 27 H LYS 27 -7.377 -0.494 3.194
170 HA LYS 27 HA LYS 27 -6.254 1.569 3.081
171 1HB LYS 27 2HB LYS 27 -6.656 1.310 6.081
172 2HB LYS 27 1HB LYS 27 -6.310 2.813 5.228
173 1HG LYS 27 2HG LYS 27 -8.395 2.496 3.894
174 2HG LYS 27 1HG LYS 27 -8.756 1.058 4.849
175 1HD LYS 27 2HD LYS 27 -8.347 3.819 6.032
176 2HD LYS 27 1HD LYS 27 -9.927 3.123 5.669
177 1HE LYS 27 2HE LYS 27 -9.050 1.096 7.124
178 2HE LYS 27 1HE LYS 27 -7.953 2.320 7.791
179 1HZ LYS 27 1HZ LYS 27 -10.914 2.530 7.598
180 2HZ LYS 27 2HZ LYS 27 -9.887 3.772 8.136
181 3HZ LYS 27 3HZ LYS 27 -10.016 2.329 9.023
182 H TRP 28 H TRP 28 -4.489 -0.625 2.950
183 HA TRP 28 HA TRP 28 -2.066 0.575 4.171
184 1HB TRP 28 2HB TRP 28 -1.425 -1.510 5.241
185 2HB TRP 28 1HB TRP 28 -3.033 -1.065 5.787
186 HD1 TRP 28 HD1 TRP 28 -3.475 -2.377 2.408
187 HE1 TRP 28 HE1 TRP 28 -4.174 -4.851 2.448
188 HE3 TRP 28 HE3 TRP 28 -2.379 -3.515 7.258
189 HZ2 TRP 28 HZ2 TRP 28 -4.258 -7.033 4.293
190 HZ3 TRP 28 HZ3 TRP 28 -2.778 -5.801 8.132
191 HH2 TRP 28 HH2 TRP 28 -3.715 -7.560 6.656
192 H CYS 29 H CYS 29 -0.217 -1.345 3.512
193 HA CYS 29 HA CYS 29 -0.037 -1.047 0.612
194 1HB CYS 29 2HB CYS 29 1.614 -2.097 2.874
195 2HB CYS 29 1HB CYS 29 2.040 -2.606 1.241
196 H LYS 30 H LYS 30 -0.779 -2.495 -0.869
197 HA LYS 30 HA LYS 30 -1.325 -5.313 0.017
198 1HB LYS 30 2HB LYS 30 -3.379 -4.071 -0.363
199 2HB LYS 30 1HB LYS 30 -2.777 -3.459 -1.902
200 1HG LYS 30 2HG LYS 30 -2.598 -6.318 -1.947
201 2HG LYS 30 1HG LYS 30 -4.220 -5.873 -1.418
202 1HD LYS 30 2HD LYS 30 -4.466 -4.392 -3.369
203 2HD LYS 30 1HD LYS 30 -2.833 -4.803 -3.896
204 1HE LYS 30 2HE LYS 30 -3.466 -7.136 -4.224
205 2HE LYS 30 1HE LYS 30 -5.079 -6.825 -3.553
206 1HZ LYS 30 1HZ LYS 30 -5.493 -5.230 -5.295
207 2HZ LYS 30 2HZ LYS 30 -5.052 -6.713 -5.997
208 3HZ LYS 30 3HZ LYS 30 -3.930 -5.440 -5.921
209 H VAL 31 H VAL 31 -0.089 -6.786 -1.078
210 HA VAL 31 HA VAL 31 1.775 -6.081 -3.131
211 HB VAL 31 HB VAL 31 1.879 -8.015 -1.522
212 1HG1 VAL 31 1HG1 VAL 31 -0.010 -9.398 -3.441
213 2HG1 VAL 31 2HG1 VAL 31 -0.560 -8.661 -1.937
214 3HG1 VAL 31 3HG1 VAL 31 0.592 -9.995 -1.894
215 1HG2 VAL 31 1HG2 VAL 31 2.018 -9.047 -4.354
216 2HG2 VAL 31 2HG2 VAL 31 3.090 -9.402 -3.000
217 3HG2 VAL 31 3HG2 VAL 31 3.147 -7.821 -3.778
218 H LEU 32 H LEU 32 1.726 -6.483 -5.389
219 HA LEU 32 HA LEU 32 -1.010 -6.661 -6.571
220 1HB LEU 32 2HB LEU 32 1.696 -5.671 -7.503
221 2HB LEU 32 1HB LEU 32 0.320 -5.810 -8.597
222 HG LEU 32 HG LEU 32 0.066 -4.317 -5.990
223 1HD1 LEU 32 1HD1 LEU 32 1.627 -3.564 -8.356
224 2HD1 LEU 32 2HD1 LEU 32 1.592 -2.829 -6.753
225 3HD1 LEU 32 3HD1 LEU 32 0.379 -2.384 -7.954
226 1HD2 LEU 32 1HD2 LEU 32 -1.667 -3.108 -7.370
227 2HD2 LEU 32 2HD2 LEU 32 -2.006 -4.823 -7.142
228 3HD2 LEU 32 3HD2 LEU 32 -1.347 -4.250 -8.674
229 H LEU 33 H LEU 33 -0.959 -7.794 -8.834
230 HA LEU 33 HA LEU 33 0.804 -10.211 -8.800
231 1HB LEU 33 1HB LEU 33 -1.186 -11.598 -9.242
232 2HB LEU 33 2HB LEU 33 -1.373 -10.713 -7.730
233 HG LEU 33 HG LEU 33 -2.398 -8.957 -9.620
234 1HD1 LEU 33 1HD1 LEU 33 -2.255 -11.238 -11.042
235 2HD1 LEU 33 2HD1 LEU 33 -3.802 -11.510 -10.240
236 3HD1 LEU 33 3HD1 LEU 33 -3.569 -10.081 -11.247
237 1HD2 LEU 33 1HD2 LEU 33 -3.213 -9.810 -7.283
238 2HD2 LEU 33 2HD2 LEU 33 -4.413 -9.251 -8.448
239 3HD2 LEU 33 3HD2 LEU 33 -4.141 -10.978 -8.224
240 1HN NH2 34 1HN NH2 34 0.768 -8.062 -11.848
241 2HN NH2 34 2HN NH2 34 0.914 -7.826 -10.093
Start of MODEL 7
1 1H GLU 1 1H GLU 1 10.549 6.055 3.655
2 2H GLU 1 2H GLU 1 9.265 5.420 2.741
3 3H GLU 1 3H GLU 1 10.859 4.916 2.438
4 HA GLU 1 HA GLU 1 10.969 3.893 4.651
5 1HB GLU 1 2HB GLU 1 8.604 5.561 4.846
6 2HB GLU 1 1HB GLU 1 8.228 3.907 5.327
7 1HG GLU 1 2HG GLU 1 8.992 4.880 7.329
8 2HG GLU 1 1HG GLU 1 10.423 4.050 6.717
9 H CYS 2 H CYS 2 10.026 1.695 5.020
10 HA CYS 2 HA CYS 2 8.815 0.590 2.506
11 1HB CYS 2 2HB CYS 2 11.107 -0.066 4.148
12 2HB CYS 2 1HB CYS 2 10.006 -1.442 4.077
13 H LYS 3 H LYS 3 6.682 0.087 2.813
14 HA LYS 3 HA LYS 3 5.741 -0.698 5.541
15 1HB LYS 3 2HB LYS 3 4.606 0.616 3.114
16 2HB LYS 3 1HB LYS 3 3.500 -0.362 4.079
17 1HG LYS 3 2HG LYS 3 4.238 0.904 6.112
18 2HG LYS 3 1HG LYS 3 5.193 1.951 5.062
19 1HD LYS 3 2HD LYS 3 2.434 1.641 4.131
20 2HD LYS 3 1HD LYS 3 2.532 2.348 5.744
21 1HE LYS 3 2HE LYS 3 4.419 3.399 3.669
22 2HE LYS 3 1HE LYS 3 2.717 3.887 3.565
23 1HZ LYS 3 1HZ LYS 3 3.950 5.372 5.026
24 2HZ LYS 3 2HZ LYS 3 4.424 4.060 5.995
25 3HZ LYS 3 3HZ LYS 3 2.786 4.506 5.904
26 H GLY 4 H GLY 4 4.861 -2.737 5.886
27 1HA GLY 4 2HA GLY 4 5.312 -4.773 3.823
28 2HA GLY 4 1HA GLY 4 4.745 -5.069 5.466
29 H PHE 5 H PHE 5 2.528 -5.202 5.843
30 HA PHE 5 HA PHE 5 0.661 -4.465 3.638
31 1HB PHE 5 2HB PHE 5 1.285 -6.765 3.194
32 2HB PHE 5 1HB PHE 5 1.036 -7.207 4.882
33 HD1 PHE 5 HD1 PHE 5 -0.970 -8.255 5.422
34 HD2 PHE 5 HD2 PHE 5 -0.857 -5.544 2.090
35 HE1 PHE 5 HE1 PHE 5 -3.357 -8.733 4.951
36 HE2 PHE 5 HE2 PHE 5 -3.243 -6.023 1.619
37 HZ PHE 5 HZ PHE 5 -4.493 -7.617 3.049
38 H GLY 6 H GLY 6 -1.343 -3.802 4.417
39 1HA GLY 6 2HA GLY 6 -3.119 -3.526 5.960
40 2HA GLY 6 1HA GLY 6 -2.232 -4.511 7.120
41 H LYS 7 H LYS 7 -1.291 -1.504 5.425
42 HA LYS 7 HA LYS 7 -1.182 -0.101 8.062
43 1HB LYS 7 2HB LYS 7 1.027 -0.795 6.164
44 2HB LYS 7 1HB LYS 7 1.113 0.764 6.983
45 1HG LYS 7 2HG LYS 7 0.609 -1.812 8.484
46 2HG LYS 7 1HG LYS 7 2.237 -1.206 8.178
47 1HD LYS 7 2HD LYS 7 2.016 0.536 9.649
48 2HD LYS 7 1HD LYS 7 0.303 0.756 9.293
49 1HE LYS 7 2HE LYS 7 0.090 -0.163 11.407
50 2HE LYS 7 1HE LYS 7 0.198 -1.678 10.490
51 1HZ LYS 7 1HZ LYS 7 2.609 -1.619 10.760
52 2HZ LYS 7 2HZ LYS 7 1.834 -1.641 12.272
53 3HZ LYS 7 3HZ LYS 7 2.490 -0.193 11.672
54 H SER 8 H SER 8 -2.342 1.754 7.787
55 HA SER 8 HA SER 8 -3.383 2.800 5.406
56 1HB SER 8 2HB SER 8 -3.264 3.452 8.151
57 2HB SER 8 1HB SER 8 -2.739 4.900 7.298
58 HG SER 8 HG SER 8 -5.190 3.572 7.271
59 H CYS 9 H CYS 9 -2.464 3.811 3.680
60 HA CYS 9 HA CYS 9 0.002 5.448 4.065
61 1HB CYS 9 2HB CYS 9 1.119 4.231 2.266
62 2HB CYS 9 1HB CYS 9 0.585 3.073 3.483
63 H VAL 10 H VAL 10 0.470 5.981 1.344
64 HA VAL 10 HA VAL 10 -1.979 7.542 0.630
65 HB VAL 10 HB VAL 10 0.944 7.769 -0.168
66 1HG1 VAL 10 1HG1 VAL 10 0.225 9.093 -1.841
67 2HG1 VAL 10 2HG1 VAL 10 -0.453 10.183 -0.633
68 3HG1 VAL 10 3HG1 VAL 10 -1.450 8.903 -1.323
69 1HG2 VAL 10 1HG2 VAL 10 0.659 8.381 2.146
70 2HG2 VAL 10 2HG2 VAL 10 -0.803 9.298 1.782
71 3HG2 VAL 10 3HG2 VAL 10 0.766 9.883 1.227
72 HA PRO 11 HA PRO 11 -2.242 4.405 -2.619
73 1HB PRO 11 2HB PRO 11 -4.786 5.052 -3.395
74 2HB PRO 11 1HB PRO 11 -4.434 4.029 -1.989
75 1HG PRO 11 2HG PRO 11 -5.187 6.901 -2.097
76 2HG PRO 11 1HG PRO 11 -5.641 5.656 -0.923
77 1HD PRO 11 2HD PRO 11 -3.722 7.557 -0.471
78 2HD PRO 11 1HD PRO 11 -3.763 5.973 0.333
79 H GLY 12 H GLY 12 -1.885 4.619 -4.852
80 1HA GLY 12 2HA GLY 12 -2.110 5.802 -6.976
81 2HA GLY 12 1HA GLY 12 -2.294 7.309 -6.077
82 H LYS 13 H LYS 13 -0.131 7.113 -4.296
83 HA LYS 13 HA LYS 13 2.128 7.642 -6.134
84 1HB LYS 13 2HB LYS 13 1.662 7.982 -3.155
85 2HB LYS 13 1HB LYS 13 3.154 8.453 -3.968
86 1HG LYS 13 2HG LYS 13 1.433 9.716 -5.580
87 2HG LYS 13 1HG LYS 13 0.438 9.686 -4.124
88 1HD LYS 13 2HD LYS 13 1.587 11.512 -3.453
89 2HD LYS 13 1HD LYS 13 2.951 10.427 -3.181
90 1HE LYS 13 2HE LYS 13 3.682 10.792 -5.543
91 2HE LYS 13 1HE LYS 13 2.362 11.962 -5.740
92 1HZ LYS 13 1HZ LYS 13 3.225 13.202 -3.848
93 2HZ LYS 13 2HZ LYS 13 4.407 13.072 -5.062
94 3HZ LYS 13 3HZ LYS 13 4.500 12.096 -3.675
95 H ASN 14 H ASN 14 0.970 4.951 -4.403
96 HA ASN 14 HA ASN 14 1.936 2.897 -3.780
97 1HB ASN 14 2HB ASN 14 3.837 3.917 -5.915
98 2HB ASN 14 1HB ASN 14 3.865 2.270 -5.290
99 1HD2 ASN 14 1HD2 ASN 14 2.261 4.409 -7.509
100 2HD2 ASN 14 2HD2 ASN 14 1.068 3.317 -8.023
101 H GLU 15 H GLU 15 2.416 4.266 -1.688
102 HA GLU 15 HA GLU 15 5.335 4.695 -1.271
103 1HB GLU 15 2HB GLU 15 2.763 5.628 -0.108
104 2HB GLU 15 1HB GLU 15 4.098 5.455 1.032
105 1HG GLU 15 2HG GLU 15 5.403 7.063 -0.037
106 2HG GLU 15 1HG GLU 15 4.583 6.847 -1.584
107 H CYS 16 H CYS 16 5.180 2.098 -1.523
108 HA CYS 16 HA CYS 16 5.127 1.004 1.268
109 1HB CYS 16 2HB CYS 16 3.716 0.132 -1.226
110 2HB CYS 16 1HB CYS 16 4.278 -1.118 -0.118
111 H CYS 17 H CYS 17 6.226 -1.319 1.153
112 HA CYS 17 HA CYS 17 8.905 -0.936 0.023
113 1HB CYS 17 2HB CYS 17 7.986 -2.082 2.249
114 2HB CYS 17 1HB CYS 17 7.929 -3.508 1.215
115 H SER 18 H SER 18 9.862 -3.055 -1.081
116 HA SER 18 HA SER 18 8.655 -3.382 -3.648
117 1HB SER 18 2HB SER 18 11.061 -3.728 -2.958
118 2HB SER 18 1HB SER 18 10.570 -5.242 -2.206
119 HG SER 18 HG SER 18 10.662 -4.513 -4.915
120 H GLY 19 H GLY 19 7.065 -4.769 -4.352
121 1HA GLY 19 2HA GLY 19 5.806 -6.806 -4.412
122 2HA GLY 19 1HA GLY 19 6.459 -7.231 -2.831
123 H TYR 20 H TYR 20 5.466 -4.029 -2.678
124 HA TYR 20 HA TYR 20 2.692 -4.764 -1.821
125 1HB TYR 20 2HB TYR 20 4.691 -2.999 -0.364
126 2HB TYR 20 1HB TYR 20 3.059 -3.378 0.184
127 HD1 TYR 20 HD1 TYR 20 2.522 -6.008 0.271
128 HD2 TYR 20 HD2 TYR 20 6.444 -4.269 0.475
129 HE1 TYR 20 HE1 TYR 20 3.376 -8.061 1.369
130 HE2 TYR 20 HE2 TYR 20 7.298 -6.321 1.572
131 HH TYR 20 HH TYR 20 6.339 -8.982 1.494
132 H ALA 21 H ALA 21 1.142 -3.149 -2.258
133 HA ALA 21 HA ALA 21 2.112 -0.544 -3.364
134 1HB ALA 21 1HB ALA 21 0.636 -0.851 -5.297
135 2HB ALA 21 2HB ALA 21 0.064 -2.386 -4.643
136 3HB ALA 21 3HB ALA 21 1.737 -2.225 -5.178
137 H CYS 22 H CYS 22 0.784 1.182 -2.800
138 HA CYS 22 HA CYS 22 -1.218 0.821 -0.742
139 1HB CYS 22 2HB CYS 22 -0.204 3.091 -2.450
140 2HB CYS 22 1HB CYS 22 -1.560 3.336 -1.350
141 H ASN 23 H ASN 23 -3.416 0.543 -0.974
142 HA ASN 23 HA ASN 23 -4.553 0.668 -3.746
143 1HB ASN 23 2HB ASN 23 -4.423 -1.392 -1.970
144 2HB ASN 23 1HB ASN 23 -5.986 -0.700 -1.534
145 1HD2 ASN 23 1HD2 ASN 23 -7.742 -1.178 -2.904
146 2HD2 ASN 23 2HD2 ASN 23 -7.595 -1.943 -4.412
147 H SER 24 H SER 24 -6.781 1.487 -3.929
148 HA SER 24 HA SER 24 -7.280 3.795 -2.150
149 1HB SER 24 2HB SER 24 -9.003 4.288 -3.876
150 2HB SER 24 1HB SER 24 -7.425 3.988 -4.597
151 HG SER 24 HG SER 24 -8.261 2.338 -5.588
152 H ARG 25 H ARG 25 -8.805 0.684 -2.978
153 HA ARG 25 HA ARG 25 -11.298 1.002 -1.656
154 1HB ARG 25 2HB ARG 25 -10.346 -0.853 -3.200
155 2HB ARG 25 1HB ARG 25 -9.686 -1.554 -1.722
156 1HG ARG 25 2HG ARG 25 -12.532 -0.757 -1.565
157 2HG ARG 25 1HG ARG 25 -12.189 -2.090 -2.668
158 1HD ARG 25 2HD ARG 25 -12.019 -3.492 -0.900
159 2HD ARG 25 1HD ARG 25 -10.679 -2.518 -0.265
160 HE ARG 25 HE ARG 25 -12.550 -0.986 0.659
161 1HH1 ARG 25 2HH1 ARG 25 -14.842 -2.599 -0.360
162 2HH1 ARG 25 1HH1 ARG 25 -15.237 -3.591 1.005
163 1HH2 ARG 25 1HH2 ARG 25 -12.218 -3.027 2.626
164 2HH2 ARG 25 2HH2 ARG 25 -13.749 -3.833 2.698
165 H ASP 26 H ASP 26 -8.226 -0.349 -0.377
166 HA ASP 26 HA ASP 26 -9.349 -0.311 2.382
167 1HB ASP 26 2HB ASP 26 -6.911 -1.477 1.027
168 2HB ASP 26 1HB ASP 26 -7.080 -1.474 2.782
169 H LYS 27 H LYS 27 -7.312 1.594 0.331
170 HA LYS 27 HA LYS 27 -5.991 3.499 0.731
171 1HB LYS 27 2HB LYS 27 -7.749 3.413 3.205
172 2HB LYS 27 1HB LYS 27 -6.729 4.787 2.778
173 1HG LYS 27 2HG LYS 27 -7.970 4.536 0.436
174 2HG LYS 27 1HG LYS 27 -9.208 3.779 1.439
175 1HD LYS 27 2HD LYS 27 -9.450 5.736 2.788
176 2HD LYS 27 1HD LYS 27 -7.991 6.464 2.116
177 1HE LYS 27 2HE LYS 27 -10.207 5.745 0.223
178 2HE LYS 27 1HE LYS 27 -10.380 7.204 1.217
179 1HZ LYS 27 1HZ LYS 27 -9.200 7.675 -0.857
180 2HZ LYS 27 2HZ LYS 27 -8.009 6.534 -0.451
181 3HZ LYS 27 3HZ LYS 27 -8.203 7.937 0.489
182 H TRP 28 H TRP 28 -4.899 0.888 1.536
183 HA TRP 28 HA TRP 28 -2.904 1.879 3.507
184 1HB TRP 28 2HB TRP 28 -3.196 -0.053 4.922
185 2HB TRP 28 1HB TRP 28 -4.780 0.658 4.665
186 HD1 TRP 28 HD1 TRP 28 -4.172 -1.018 1.533
187 HE1 TRP 28 HE1 TRP 28 -5.157 -3.394 1.496
188 HE3 TRP 28 HE3 TRP 28 -4.994 -1.705 6.523
189 HZ2 TRP 28 HZ2 TRP 28 -6.168 -5.332 3.337
190 HZ3 TRP 28 HZ3 TRP 28 -5.972 -3.824 7.353
191 HH2 TRP 28 HH2 TRP 28 -6.560 -5.638 5.768
192 H CYS 29 H CYS 29 -1.275 -0.242 3.779
193 HA CYS 29 HA CYS 29 -0.083 -0.531 1.125
194 1HB CYS 29 2HB CYS 29 0.990 -0.264 3.498
195 2HB CYS 29 1HB CYS 29 0.741 -2.005 3.624
196 H LYS 30 H LYS 30 -0.660 -2.126 -0.280
197 HA LYS 30 HA LYS 30 -1.966 -4.601 0.790
198 1HB LYS 30 2HB LYS 30 -2.738 -2.768 -1.118
199 2HB LYS 30 1HB LYS 30 -2.012 -4.037 -2.105
200 1HG LYS 30 2HG LYS 30 -3.499 -5.689 -1.269
201 2HG LYS 30 1HG LYS 30 -4.008 -4.665 0.073
202 1HD LYS 30 2HD LYS 30 -5.303 -3.274 -1.312
203 2HD LYS 30 1HD LYS 30 -4.461 -3.792 -2.774
204 1HE LYS 30 2HE LYS 30 -5.913 -5.507 -3.086
205 2HE LYS 30 1HE LYS 30 -5.721 -6.050 -1.407
206 1HZ LYS 30 1HZ LYS 30 -7.379 -3.748 -2.303
207 2HZ LYS 30 2HZ LYS 30 -7.178 -4.256 -0.693
208 3HZ LYS 30 3HZ LYS 30 -7.977 -5.256 -1.809
209 H VAL 31 H VAL 31 -1.528 -6.518 -0.903
210 HA VAL 31 HA VAL 31 1.446 -6.678 -1.271
211 HB VAL 31 HB VAL 31 -0.684 -8.812 -0.881
212 1HG1 VAL 31 1HG1 VAL 31 0.957 -9.986 -2.011
213 2HG1 VAL 31 2HG1 VAL 31 1.589 -10.106 -0.368
214 3HG1 VAL 31 3HG1 VAL 31 2.245 -8.904 -1.480
215 1HG2 VAL 31 1HG2 VAL 31 1.055 -7.259 0.951
216 2HG2 VAL 31 2HG2 VAL 31 1.017 -8.997 1.244
217 3HG2 VAL 31 3HG2 VAL 31 -0.480 -8.067 1.270
218 H LEU 32 H LEU 32 2.247 -7.446 -3.272
219 HA LEU 32 HA LEU 32 0.508 -7.063 -5.602
220 1HB LEU 32 2HB LEU 32 3.258 -6.952 -4.946
221 2HB LEU 32 1HB LEU 32 3.102 -8.237 -6.143
222 HG LEU 32 HG LEU 32 1.439 -6.132 -7.038
223 1HD1 LEU 32 1HD1 LEU 32 2.564 -4.551 -5.605
224 2HD1 LEU 32 2HD1 LEU 32 3.184 -4.310 -7.238
225 3HD1 LEU 32 3HD1 LEU 32 4.146 -5.191 -6.052
226 1HD2 LEU 32 1HD2 LEU 32 3.029 -6.089 -8.913
227 2HD2 LEU 32 2HD2 LEU 32 2.732 -7.753 -8.411
228 3HD2 LEU 32 3HD2 LEU 32 4.225 -6.943 -7.937
229 H LEU 33 H LEU 33 -0.357 -8.682 -6.896
230 HA LEU 33 HA LEU 33 -0.245 -11.460 -5.864
231 1HB LEU 33 1HB LEU 33 -1.908 -9.892 -7.834
232 2HB LEU 33 2HB LEU 33 -2.001 -11.652 -7.794
233 HG LEU 33 HG LEU 33 -2.177 -10.256 -5.171
234 1HD1 LEU 33 1HD1 LEU 33 -3.591 -8.864 -6.691
235 2HD1 LEU 33 2HD1 LEU 33 -4.496 -10.314 -7.127
236 3HD1 LEU 33 3HD1 LEU 33 -4.537 -9.713 -5.469
237 1HD2 LEU 33 1HD2 LEU 33 -3.688 -12.549 -6.470
238 2HD2 LEU 33 2HD2 LEU 33 -2.311 -12.712 -5.380
239 3HD2 LEU 33 3HD2 LEU 33 -3.834 -12.054 -4.784
240 1HN NH2 34 1HN NH2 34 2.273 -10.665 -8.751
241 2HN NH2 34 2HN NH2 34 1.576 -9.636 -7.481
Start of MODEL 8
1 1H GLU 1 1H GLU 1 12.007 7.110 1.701
2 2H GLU 1 2H GLU 1 12.606 8.144 2.908
3 3H GLU 1 3H GLU 1 11.136 8.501 2.134
4 HA GLU 1 HA GLU 1 11.655 6.194 3.949
5 1HB GLU 1 2HB GLU 1 10.592 8.958 4.173
6 2HB GLU 1 1HB GLU 1 9.647 7.719 4.999
7 1HG GLU 1 2HG GLU 1 11.153 8.117 6.681
8 2HG GLU 1 1HG GLU 1 12.126 6.966 5.766
9 H CYS 2 H CYS 2 10.221 4.523 3.669
10 HA CYS 2 HA CYS 2 7.795 5.016 1.964
11 1HB CYS 2 2HB CYS 2 8.158 2.791 1.082
12 2HB CYS 2 1HB CYS 2 9.692 3.654 1.000
13 H LYS 3 H LYS 3 6.097 3.197 2.383
14 HA LYS 3 HA LYS 3 5.771 2.881 5.345
15 1HB LYS 3 2HB LYS 3 3.890 3.066 2.979
16 2HB LYS 3 1HB LYS 3 3.333 2.536 4.566
17 1HG LYS 3 2HG LYS 3 3.038 4.735 5.020
18 2HG LYS 3 1HG LYS 3 4.794 4.812 5.161
19 1HD LYS 3 2HD LYS 3 4.666 5.062 2.525
20 2HD LYS 3 1HD LYS 3 3.038 5.637 2.881
21 1HE LYS 3 2HE LYS 3 3.795 7.575 3.843
22 2HE LYS 3 1HE LYS 3 5.194 6.773 4.585
23 1HZ LYS 3 1HZ LYS 3 5.834 8.241 2.731
24 2HZ LYS 3 2HZ LYS 3 4.892 7.304 1.673
25 3HZ LYS 3 3HZ LYS 3 6.247 6.622 2.439
26 H GLY 4 H GLY 4 5.386 0.813 6.199
27 1HA GLY 4 2HA GLY 4 6.086 -1.463 4.467
28 2HA GLY 4 1HA GLY 4 5.862 -1.521 6.215
29 H PHE 5 H PHE 5 4.612 -3.538 5.513
30 HA PHE 5 HA PHE 5 2.055 -3.233 4.164
31 1HB PHE 5 2HB PHE 5 3.345 -5.320 4.191
32 2HB PHE 5 1HB PHE 5 3.226 -5.394 5.948
33 HD1 PHE 5 HD1 PHE 5 1.436 -5.850 2.771
34 HD2 PHE 5 HD2 PHE 5 1.085 -5.908 7.053
35 HE1 PHE 5 HE1 PHE 5 -0.735 -7.035 2.581
36 HE2 PHE 5 HE2 PHE 5 -1.085 -7.091 6.860
37 HZ PHE 5 HZ PHE 5 -1.994 -7.655 4.623
38 H GLY 6 H GLY 6 -0.027 -3.149 5.110
39 1HA GLY 6 2HA GLY 6 -1.643 -2.929 6.823
40 2HA GLY 6 1HA GLY 6 -0.377 -3.223 8.014
41 H LYS 7 H LYS 7 -0.495 -0.726 5.475
42 HA LYS 7 HA LYS 7 -0.583 1.367 7.623
43 1HB LYS 7 2HB LYS 7 1.393 0.774 5.477
44 2HB LYS 7 1HB LYS 7 1.007 2.477 5.720
45 1HG LYS 7 2HG LYS 7 1.723 0.657 8.025
46 2HG LYS 7 1HG LYS 7 2.949 1.536 7.112
47 1HD LYS 7 2HD LYS 7 0.559 2.979 8.248
48 2HD LYS 7 1HD LYS 7 1.972 2.653 9.252
49 1HE LYS 7 2HE LYS 7 3.286 4.167 8.124
50 2HE LYS 7 1HE LYS 7 2.515 3.823 6.564
51 1HZ LYS 7 1HZ LYS 7 0.530 4.965 7.313
52 2HZ LYS 7 2HZ LYS 7 1.866 6.008 7.421
53 3HZ LYS 7 3HZ LYS 7 1.239 5.281 8.822
54 H SER 8 H SER 8 -2.390 2.590 7.263
55 HA SER 8 HA SER 8 -4.083 2.536 5.020
56 1HB SER 8 2HB SER 8 -4.324 3.560 7.396
57 2HB SER 8 1HB SER 8 -3.610 5.008 6.691
58 HG SER 8 HG SER 8 -5.343 5.264 5.431
59 H CYS 9 H CYS 9 -3.764 3.218 2.950
60 HA CYS 9 HA CYS 9 -2.124 5.655 2.440
61 1HB CYS 9 2HB CYS 9 -0.769 4.442 0.825
62 2HB CYS 9 1HB CYS 9 -0.719 3.564 2.351
63 H VAL 10 H VAL 10 -2.272 6.096 -0.093
64 HA VAL 10 HA VAL 10 -5.160 5.915 -0.814
65 HB VAL 10 HB VAL 10 -2.854 7.587 -1.878
66 1HG1 VAL 10 1HG1 VAL 10 -5.833 7.633 -2.433
67 2HG1 VAL 10 2HG1 VAL 10 -4.534 7.371 -3.596
68 3HG1 VAL 10 3HG1 VAL 10 -4.747 8.957 -2.853
69 1HG2 VAL 10 1HG2 VAL 10 -5.060 8.118 0.127
70 2HG2 VAL 10 2HG2 VAL 10 -4.181 9.421 -0.673
71 3HG2 VAL 10 3HG2 VAL 10 -3.319 8.282 0.362
72 HA PRO 11 HA PRO 11 -3.939 2.790 -3.785
73 1HB PRO 11 2HB PRO 11 -6.435 2.396 -4.837
74 2HB PRO 11 1HB PRO 11 -5.924 1.707 -3.283
75 1HG PRO 11 2HG PRO 11 -7.587 4.116 -3.830
76 2HG PRO 11 1HG PRO 11 -7.759 2.889 -2.565
77 1HD PRO 11 2HD PRO 11 -6.677 5.350 -2.129
78 2HD PRO 11 1HD PRO 11 -6.240 3.907 -1.188
79 H GLY 12 H GLY 12 -3.127 3.177 -5.830
80 1HA GLY 12 2HA GLY 12 -3.560 3.921 -8.162
81 2HA GLY 12 1HA GLY 12 -4.447 5.291 -7.492
82 H LYS 13 H LYS 13 -2.553 5.914 -5.399
83 HA LYS 13 HA LYS 13 -0.535 7.350 -7.019
84 1HB LYS 13 2HB LYS 13 -1.705 7.455 -4.270
85 2HB LYS 13 1HB LYS 13 -0.087 8.120 -4.483
86 1HG LYS 13 2HG LYS 13 -1.235 10.007 -5.070
87 2HG LYS 13 1HG LYS 13 -1.326 9.207 -6.639
88 1HD LYS 13 2HD LYS 13 -3.494 8.156 -5.884
89 2HD LYS 13 1HD LYS 13 -3.422 9.182 -4.451
90 1HE LYS 13 2HE LYS 13 -3.081 10.543 -7.089
91 2HE LYS 13 1HE LYS 13 -4.709 9.973 -6.674
92 1HZ LYS 13 1HZ LYS 13 -4.285 12.201 -5.785
93 2HZ LYS 13 2HZ LYS 13 -2.960 11.604 -4.904
94 3HZ LYS 13 3HZ LYS 13 -4.534 11.076 -4.540
95 H ASN 14 H ASN 14 -0.732 4.525 -4.980
96 HA ASN 14 HA ASN 14 0.892 2.996 -4.241
97 1HB ASN 14 2HB ASN 14 1.246 3.257 -6.787
98 2HB ASN 14 1HB ASN 14 2.638 4.256 -6.367
99 1HD2 ASN 14 1HD2 ASN 14 4.524 3.032 -6.412
100 2HD2 ASN 14 2HD2 ASN 14 4.651 1.412 -5.919
101 H GLU 15 H GLU 15 0.909 4.666 -2.340
102 HA GLU 15 HA GLU 15 3.545 6.057 -2.116
103 1HB GLU 15 2HB GLU 15 2.403 7.178 -0.180
104 2HB GLU 15 1HB GLU 15 1.545 7.399 -1.703
105 1HG GLU 15 2HG GLU 15 -0.245 6.149 -1.028
106 2HG GLU 15 1HG GLU 15 0.760 5.003 -0.141
107 H CYS 16 H CYS 16 4.111 3.489 -1.961
108 HA CYS 16 HA CYS 16 4.498 2.951 0.955
109 1HB CYS 16 2HB CYS 16 2.821 1.540 -0.962
110 2HB CYS 16 1HB CYS 16 4.048 0.469 -0.287
111 H CYS 17 H CYS 17 5.965 0.714 0.924
112 HA CYS 17 HA CYS 17 8.463 1.496 -0.385
113 1HB CYS 17 2HB CYS 17 7.663 0.034 1.852
114 2HB CYS 17 1HB CYS 17 8.320 -1.192 0.768
115 H SER 18 H SER 18 9.692 -0.120 -1.741
116 HA SER 18 HA SER 18 8.256 -0.914 -4.073
117 1HB SER 18 2HB SER 18 10.786 -0.481 -3.578
118 2HB SER 18 1HB SER 18 10.828 -2.186 -3.143
119 HG SER 18 HG SER 18 10.390 -0.958 -5.617
120 H GLY 19 H GLY 19 6.999 -2.700 -4.442
121 1HA GLY 19 2HA GLY 19 6.708 -5.139 -4.362
122 2HA GLY 19 1HA GLY 19 7.439 -5.127 -2.758
123 H TYR 20 H TYR 20 5.896 -2.805 -1.817
124 HA TYR 20 HA TYR 20 3.300 -4.212 -1.356
125 1HB TYR 20 2HB TYR 20 4.602 -1.910 0.136
126 2HB TYR 20 1HB TYR 20 3.242 -2.889 0.688
127 HD1 TYR 20 HD1 TYR 20 6.697 -2.449 0.977
128 HD2 TYR 20 HD2 TYR 20 3.747 -5.550 0.587
129 HE1 TYR 20 HE1 TYR 20 8.284 -4.082 1.957
130 HE2 TYR 20 HE2 TYR 20 5.335 -7.183 1.568
131 HH TYR 20 HH TYR 20 8.475 -6.831 1.717
132 H ALA 21 H ALA 21 1.546 -3.426 -2.426
133 HA ALA 21 HA ALA 21 1.592 -0.591 -3.408
134 1HB ALA 21 1HB ALA 21 1.449 -2.223 -5.173
135 2HB ALA 21 2HB ALA 21 -0.167 -1.541 -4.993
136 3HB ALA 21 3HB ALA 21 0.202 -3.129 -4.317
137 H CYS 22 H CYS 22 -0.864 0.191 -3.659
138 HA CYS 22 HA CYS 22 -2.116 -0.118 -0.967
139 1HB CYS 22 2HB CYS 22 -2.240 1.886 -3.229
140 2HB CYS 22 1HB CYS 22 -3.409 1.926 -1.909
141 H ASN 23 H ASN 23 -3.984 -1.325 -0.773
142 HA ASN 23 HA ASN 23 -5.390 -2.148 -3.284
143 1HB ASN 23 2HB ASN 23 -5.988 -4.123 -2.073
144 2HB ASN 23 1HB ASN 23 -4.304 -3.807 -1.670
145 1HD2 ASN 23 1HD2 ASN 23 -6.251 -5.295 -0.009
146 2HD2 ASN 23 2HD2 ASN 23 -6.376 -4.449 1.457
147 H SER 24 H SER 24 -7.842 -2.701 -2.718
148 HA SER 24 HA SER 24 -9.006 -0.230 -1.497
149 1HB SER 24 2HB SER 24 -10.928 -0.778 -2.939
150 2HB SER 24 1HB SER 24 -9.443 -0.745 -3.883
151 HG SER 24 HG SER 24 -9.706 -2.786 -4.294
152 H ARG 25 H ARG 25 -8.893 -3.730 -1.162
153 HA ARG 25 HA ARG 25 -11.271 -4.244 0.296
154 1HB ARG 25 2HB ARG 25 -9.243 -5.714 -0.617
155 2HB ARG 25 1HB ARG 25 -8.674 -5.544 1.043
156 1HG ARG 25 2HG ARG 25 -9.987 -7.394 1.364
157 2HG ARG 25 1HG ARG 25 -11.254 -6.178 1.527
158 1HD ARG 25 2HD ARG 25 -11.869 -6.436 -0.827
159 2HD ARG 25 1HD ARG 25 -10.527 -7.571 -1.078
160 HE ARG 25 HE ARG 25 -12.989 -8.128 0.478
161 1HH1 ARG 25 2HH1 ARG 25 -11.841 -9.867 -1.739
162 2HH1 ARG 25 1HH1 ARG 25 -11.151 -11.168 -0.828
163 1HH2 ARG 25 1HH2 ARG 25 -11.225 -9.443 2.190
164 2HH2 ARG 25 2HH2 ARG 25 -10.801 -10.927 1.405
165 H ASP 26 H ASP 26 -8.060 -3.217 1.488
166 HA ASP 26 HA ASP 26 -9.320 -2.541 4.128
167 1HB ASP 26 2HB ASP 26 -6.600 -3.556 3.289
168 2HB ASP 26 1HB ASP 26 -6.855 -2.820 4.870
169 H LYS 27 H LYS 27 -8.015 -1.175 1.312
170 HA LYS 27 HA LYS 27 -7.297 0.994 0.764
171 1HB LYS 27 2HB LYS 27 -9.333 1.122 2.649
172 2HB LYS 27 1HB LYS 27 -8.086 2.161 3.341
173 1HG LYS 27 2HG LYS 27 -7.929 3.133 0.908
174 2HG LYS 27 1HG LYS 27 -9.539 2.437 0.725
175 1HD LYS 27 2HD LYS 27 -10.335 3.699 2.670
176 2HD LYS 27 1HD LYS 27 -8.719 4.357 2.924
177 1HE LYS 27 2HE LYS 27 -9.409 6.087 1.606
178 2HE LYS 27 1HE LYS 27 -9.226 4.955 0.252
179 1HZ LYS 27 1HZ LYS 27 -11.476 5.845 0.324
180 2HZ LYS 27 2HZ LYS 27 -11.669 5.291 1.917
181 3HZ LYS 27 3HZ LYS 27 -11.489 4.180 0.644
182 H TRP 28 H TRP 28 -5.378 -0.781 2.066
183 HA TRP 28 HA TRP 28 -3.578 1.294 3.229
184 1HB TRP 28 2HB TRP 28 -3.027 -0.162 5.089
185 2HB TRP 28 1HB TRP 28 -4.774 0.018 5.027
186 HD1 TRP 28 HD1 TRP 28 -4.083 -2.276 2.317
187 HE1 TRP 28 HE1 TRP 28 -4.329 -4.729 3.053
188 HE3 TRP 28 HE3 TRP 28 -4.060 -1.681 7.386
189 HZ2 TRP 28 HZ2 TRP 28 -4.491 -6.245 5.469
190 HZ3 TRP 28 HZ3 TRP 28 -4.261 -3.646 8.881
191 HH2 TRP 28 HH2 TRP 28 -4.476 -5.925 7.930
192 H CYS 29 H CYS 29 -1.363 -0.213 3.721
193 HA CYS 29 HA CYS 29 -0.373 -0.793 1.043
194 1HB CYS 29 2HB CYS 29 0.729 0.159 3.281
195 2HB CYS 29 1HB CYS 29 1.077 -1.548 3.557
196 H LYS 30 H LYS 30 -0.290 -2.776 0.062
197 HA LYS 30 HA LYS 30 -0.569 -5.242 1.734
198 1HB LYS 30 2HB LYS 30 -2.479 -4.043 -0.044
199 2HB LYS 30 1HB LYS 30 -1.946 -5.570 -0.748
200 1HG LYS 30 2HG LYS 30 -2.500 -5.636 2.163
201 2HG LYS 30 1HG LYS 30 -3.907 -5.389 1.129
202 1HD LYS 30 2HD LYS 30 -2.249 -7.433 -0.030
203 2HD LYS 30 1HD LYS 30 -2.550 -7.829 1.661
204 1HE LYS 30 2HE LYS 30 -4.448 -8.759 0.657
205 2HE LYS 30 1HE LYS 30 -5.048 -7.130 1.021
206 1HZ LYS 30 1HZ LYS 30 -5.418 -7.728 -1.313
207 2HZ LYS 30 2HZ LYS 30 -3.748 -7.949 -1.528
208 3HZ LYS 30 3HZ LYS 30 -4.366 -6.406 -1.172
209 H VAL 31 H VAL 31 0.469 -7.089 0.816
210 HA VAL 31 HA VAL 31 2.792 -6.595 -0.800
211 HB VAL 31 HB VAL 31 2.374 -8.411 0.928
212 1HG1 VAL 31 1HG1 VAL 31 1.077 -9.918 -1.346
213 2HG1 VAL 31 2HG1 VAL 31 0.119 -9.023 -0.166
214 3HG1 VAL 31 3HG1 VAL 31 1.144 -10.357 0.362
215 1HG2 VAL 31 1HG2 VAL 31 3.812 -10.002 -0.170
216 2HG2 VAL 31 2HG2 VAL 31 4.269 -8.402 -0.755
217 3HG2 VAL 31 3HG2 VAL 31 3.285 -9.462 -1.764
218 H LEU 32 H LEU 32 3.208 -7.188 -2.990
219 HA LEU 32 HA LEU 32 0.793 -7.247 -4.731
220 1HB LEU 32 2HB LEU 32 3.652 -6.431 -4.910
221 2HB LEU 32 1HB LEU 32 2.915 -7.021 -6.399
222 HG LEU 32 HG LEU 32 1.594 -4.920 -4.671
223 1HD1 LEU 32 1HD1 LEU 32 3.548 -4.587 -6.963
224 2HD1 LEU 32 2HD1 LEU 32 3.720 -3.977 -5.316
225 3HD1 LEU 32 3HD1 LEU 32 2.494 -3.295 -6.386
226 1HD2 LEU 32 1HD2 LEU 32 0.979 -6.348 -7.141
227 2HD2 LEU 32 2HD2 LEU 32 0.959 -4.601 -7.379
228 3HD2 LEU 32 3HD2 LEU 32 -0.069 -5.336 -6.149
229 H LEU 33 H LEU 33 1.220 -8.629 -6.840
230 HA LEU 33 HA LEU 33 1.917 -11.386 -5.936
231 1HB LEU 33 1HB LEU 33 0.537 -12.062 -7.848
232 2HB LEU 33 2HB LEU 33 -0.332 -10.881 -6.872
233 HG LEU 33 HG LEU 33 1.234 -9.469 -8.815
234 1HD1 LEU 33 1HD1 LEU 33 0.999 -11.783 -9.958
235 2HD1 LEU 33 2HD1 LEU 33 -0.709 -11.375 -10.116
236 3HD1 LEU 33 3HD1 LEU 33 0.514 -10.361 -10.881
237 1HD2 LEU 33 1HD2 LEU 33 -0.877 -8.740 -7.681
238 2HD2 LEU 33 2HD2 LEU 33 -0.948 -8.571 -9.435
239 3HD2 LEU 33 3HD2 LEU 33 -1.762 -9.922 -8.646
240 1HN NH2 34 1HN NH2 34 4.935 -11.461 -7.415
241 2HN NH2 34 2HN NH2 34 3.870 -11.547 -5.996
Start of MODEL 9
1 1H GLU 1 1H GLU 1 12.727 4.210 0.649
2 2H GLU 1 2H GLU 1 12.344 4.597 2.258
3 3H GLU 1 3H GLU 1 12.684 5.833 1.144
4 HA GLU 1 HA GLU 1 10.300 5.707 1.514
5 1HB GLU 1 2HB GLU 1 11.656 5.031 -1.062
6 2HB GLU 1 1HB GLU 1 9.894 4.979 -1.041
7 1HG GLU 1 2HG GLU 1 10.734 7.345 0.338
8 2HG GLU 1 1HG GLU 1 11.580 7.276 -1.208
9 H CYS 2 H CYS 2 9.628 4.024 2.964
10 HA CYS 2 HA CYS 2 8.531 1.623 1.612
11 1HB CYS 2 2HB CYS 2 10.741 0.896 2.227
12 2HB CYS 2 1HB CYS 2 10.607 1.637 3.821
13 H LYS 3 H LYS 3 6.502 1.274 2.433
14 HA LYS 3 HA LYS 3 5.759 2.580 5.020
15 1HB LYS 3 2HB LYS 3 4.496 2.037 2.415
16 2HB LYS 3 1HB LYS 3 3.450 1.685 3.789
17 1HG LYS 3 2HG LYS 3 2.987 3.928 3.583
18 2HG LYS 3 1HG LYS 3 4.413 4.052 4.613
19 1HD LYS 3 2HD LYS 3 5.607 5.067 2.988
20 2HD LYS 3 1HD LYS 3 5.138 3.855 1.796
21 1HE LYS 3 2HE LYS 3 4.132 5.783 0.911
22 2HE LYS 3 1HE LYS 3 2.804 5.130 1.891
23 1HZ LYS 3 1HZ LYS 3 4.820 7.113 2.815
24 2HZ LYS 3 2HZ LYS 3 3.550 6.481 3.751
25 3HZ LYS 3 3HZ LYS 3 3.212 7.468 2.410
26 H GLY 4 H GLY 4 4.379 1.328 6.506
27 1HA GLY 4 2HA GLY 4 5.170 -1.520 6.583
28 2HA GLY 4 1HA GLY 4 4.392 -0.628 7.890
29 H PHE 5 H PHE 5 3.336 -3.057 7.389
30 HA PHE 5 HA PHE 5 1.196 -2.997 5.398
31 1HB PHE 5 2HB PHE 5 2.375 -5.048 6.085
32 2HB PHE 5 1HB PHE 5 1.813 -4.829 7.741
33 HD1 PHE 5 HD1 PHE 5 0.571 -5.241 4.232
34 HD2 PHE 5 HD2 PHE 5 -0.254 -5.709 8.422
35 HE1 PHE 5 HE1 PHE 5 -1.530 -6.440 3.686
36 HE2 PHE 5 HE2 PHE 5 -2.354 -6.906 7.876
37 HZ PHE 5 HZ PHE 5 -2.992 -7.272 5.508
38 H GLY 6 H GLY 6 -0.950 -2.441 5.742
39 1HA GLY 6 2HA GLY 6 -2.919 -1.896 6.937
40 2HA GLY 6 1HA GLY 6 -2.059 -2.213 8.443
41 H LYS 7 H LYS 7 -0.463 -0.092 6.213
42 HA LYS 7 HA LYS 7 -1.100 2.215 8.009
43 1HB LYS 7 2HB LYS 7 1.276 1.090 6.899
44 2HB LYS 7 1HB LYS 7 1.062 2.681 6.170
45 1HG LYS 7 2HG LYS 7 0.808 2.237 9.149
46 2HG LYS 7 1HG LYS 7 2.354 2.608 8.386
47 1HD LYS 7 2HD LYS 7 -0.087 4.324 7.914
48 2HD LYS 7 1HD LYS 7 0.982 4.599 9.290
49 1HE LYS 7 2HE LYS 7 2.471 4.263 6.785
50 2HE LYS 7 1HE LYS 7 1.361 5.646 6.743
51 1HZ LYS 7 1HZ LYS 7 3.280 5.046 8.936
52 2HZ LYS 7 2HZ LYS 7 2.219 6.372 8.878
53 3HZ LYS 7 3HZ LYS 7 3.489 6.247 7.757
54 H SER 8 H SER 8 -2.218 3.931 7.165
55 HA SER 8 HA SER 8 -3.576 3.851 4.688
56 1HB SER 8 2HB SER 8 -3.970 6.263 5.168
57 2HB SER 8 1HB SER 8 -4.183 5.263 6.600
58 HG SER 8 HG SER 8 -2.563 6.261 7.492
59 H CYS 9 H CYS 9 -2.830 4.097 2.631
60 HA CYS 9 HA CYS 9 -0.442 5.841 2.151
61 1HB CYS 9 2HB CYS 9 0.496 4.099 0.728
62 2HB CYS 9 1HB CYS 9 0.134 3.394 2.302
63 H VAL 10 H VAL 10 -0.232 6.018 -0.428
64 HA VAL 10 HA VAL 10 -2.951 6.760 -1.430
65 HB VAL 10 HB VAL 10 -0.132 7.647 -2.125
66 1HG1 VAL 10 1HG1 VAL 10 -1.629 9.460 -3.375
67 2HG1 VAL 10 2HG1 VAL 10 -2.774 8.121 -3.450
68 3HG1 VAL 10 3HG1 VAL 10 -1.173 7.953 -4.171
69 1HG2 VAL 10 1HG2 VAL 10 -2.424 8.800 -0.548
70 2HG2 VAL 10 2HG2 VAL 10 -1.264 9.877 -1.327
71 3HG2 VAL 10 3HG2 VAL 10 -0.716 8.714 -0.119
72 HA PRO 11 HA PRO 11 -2.271 3.213 -4.131
73 1HB PRO 11 2HB PRO 11 -4.810 3.190 -5.155
74 2HB PRO 11 1HB PRO 11 -4.399 2.494 -3.575
75 1HG PRO 11 2HG PRO 11 -5.662 5.110 -4.220
76 2HG PRO 11 1HG PRO 11 -6.003 3.987 -2.894
77 1HD PRO 11 2HD PRO 11 -4.531 6.265 -2.598
78 2HD PRO 11 1HD PRO 11 -4.327 4.823 -1.580
79 H GLY 12 H GLY 12 -1.914 3.079 -6.398
80 1HA GLY 12 2HA GLY 12 -2.413 3.981 -8.680
81 2HA GLY 12 1HA GLY 12 -2.421 5.590 -7.954
82 H LYS 13 H LYS 13 -0.208 5.747 -6.466
83 HA LYS 13 HA LYS 13 1.976 5.598 -8.459
84 1HB LYS 13 2HB LYS 13 1.337 7.016 -5.918
85 2HB LYS 13 1HB LYS 13 3.048 6.737 -6.243
86 1HG LYS 13 2HG LYS 13 2.464 7.644 -8.636
87 2HG LYS 13 1HG LYS 13 1.059 8.341 -7.829
88 1HD LYS 13 2HD LYS 13 2.305 9.929 -6.805
89 2HD LYS 13 1HD LYS 13 3.550 8.768 -6.342
90 1HE LYS 13 2HE LYS 13 4.224 8.818 -8.863
91 2HE LYS 13 1HE LYS 13 3.302 10.333 -8.911
92 1HZ LYS 13 1HZ LYS 13 5.502 9.676 -7.022
93 2HZ LYS 13 2HZ LYS 13 4.572 11.097 -6.974
94 3HZ LYS 13 3HZ LYS 13 5.584 10.786 -8.301
95 H ASN 14 H ASN 14 0.861 3.809 -5.692
96 HA ASN 14 HA ASN 14 1.747 1.951 -4.555
97 1HB ASN 14 2HB ASN 14 2.164 1.617 -7.208
98 2HB ASN 14 1HB ASN 14 3.837 1.603 -6.652
99 1HD2 ASN 14 1HD2 ASN 14 1.539 -0.555 -7.429
100 2HD2 ASN 14 2HD2 ASN 14 1.834 -1.768 -6.278
101 H GLU 15 H GLU 15 2.614 3.977 -3.207
102 HA GLU 15 HA GLU 15 5.567 4.233 -3.272
103 1HB GLU 15 2HB GLU 15 3.243 5.557 -1.895
104 2HB GLU 15 1HB GLU 15 4.878 5.814 -1.288
105 1HG GLU 15 2HG GLU 15 4.427 6.113 -4.229
106 2HG GLU 15 1HG GLU 15 3.830 7.392 -3.171
107 H CYS 16 H CYS 16 3.627 1.883 -2.068
108 HA CYS 16 HA CYS 16 4.570 1.702 0.692
109 1HB CYS 16 2HB CYS 16 2.726 0.377 -1.141
110 2HB CYS 16 1HB CYS 16 3.623 -0.792 -0.174
111 H CYS 17 H CYS 17 5.635 -0.556 1.292
112 HA CYS 17 HA CYS 17 8.243 -0.658 0.029
113 1HB CYS 17 2HB CYS 17 7.049 -1.439 2.421
114 2HB CYS 17 1HB CYS 17 7.448 -2.971 1.644
115 H SER 18 H SER 18 9.153 -2.594 -1.037
116 HA SER 18 HA SER 18 7.622 -3.577 -3.222
117 1HB SER 18 2HB SER 18 10.207 -4.201 -1.871
118 2HB SER 18 1HB SER 18 9.587 -5.405 -2.994
119 HG SER 18 HG SER 18 10.324 -2.725 -3.447
120 H GLY 19 H GLY 19 6.295 -5.366 -3.456
121 1HA GLY 19 2HA GLY 19 5.580 -7.621 -2.883
122 2HA GLY 19 1HA GLY 19 6.193 -7.367 -1.250
123 H TYR 20 H TYR 20 4.950 -4.658 -1.065
124 HA TYR 20 HA TYR 20 2.123 -5.558 -0.639
125 1HB TYR 20 2HB TYR 20 3.892 -3.517 0.743
126 2HB TYR 20 1HB TYR 20 2.182 -3.736 1.115
127 HD1 TYR 20 HD1 TYR 20 1.379 -5.756 2.240
128 HD2 TYR 20 HD2 TYR 20 5.538 -5.235 1.301
129 HE1 TYR 20 HE1 TYR 20 1.955 -7.636 3.749
130 HE2 TYR 20 HE2 TYR 20 6.114 -7.114 2.811
131 HH TYR 20 HH TYR 20 4.589 -8.176 5.087
132 H ALA 21 H ALA 21 0.469 -4.331 -1.536
133 HA ALA 21 HA ALA 21 1.247 -1.858 -3.058
134 1HB ALA 21 1HB ALA 21 0.692 -3.717 -4.525
135 2HB ALA 21 2HB ALA 21 -0.640 -2.563 -4.576
136 3HB ALA 21 3HB ALA 21 -0.788 -4.040 -3.622
137 H CYS 22 H CYS 22 -0.616 -0.292 -3.293
138 HA CYS 22 HA CYS 22 -2.000 0.047 -0.710
139 1HB CYS 22 2HB CYS 22 -1.578 1.632 -3.239
140 2HB CYS 22 1HB CYS 22 -2.762 2.168 -2.046
141 H ASN 23 H ASN 23 -4.143 -0.453 -0.368
142 HA ASN 23 HA ASN 23 -5.739 -1.480 -2.673
143 1HB ASN 23 2HB ASN 23 -5.213 -2.453 -0.167
144 2HB ASN 23 1HB ASN 23 -6.762 -1.654 0.100
145 1HD2 ASN 23 1HD2 ASN 23 -5.176 -4.019 -2.114
146 2HD2 ASN 23 2HD2 ASN 23 -6.603 -4.871 -2.461
147 H SER 24 H SER 24 -8.252 -1.035 -2.199
148 HA SER 24 HA SER 24 -8.536 1.929 -1.837
149 1HB SER 24 2HB SER 24 -10.041 -0.147 -3.449
150 2HB SER 24 1HB SER 24 -10.598 1.515 -3.268
151 HG SER 24 HG SER 24 -8.952 2.209 -4.458
152 H ARG 25 H ARG 25 -9.874 -1.231 -0.904
153 HA ARG 25 HA ARG 25 -12.240 -0.413 0.437
154 1HB ARG 25 2HB ARG 25 -11.147 -2.745 -0.121
155 2HB ARG 25 1HB ARG 25 -10.422 -2.579 1.477
156 1HG ARG 25 2HG ARG 25 -12.412 -3.701 1.971
157 2HG ARG 25 1HG ARG 25 -12.866 -2.019 2.241
158 1HD ARG 25 2HD ARG 25 -14.607 -3.088 0.894
159 2HD ARG 25 1HD ARG 25 -13.725 -1.949 -0.140
160 HE ARG 25 HE ARG 25 -12.938 -3.799 -1.372
161 1HH1 ARG 25 2HH1 ARG 25 -15.234 -5.318 0.122
162 2HH1 ARG 25 1HH1 ARG 25 -14.378 -6.748 0.593
163 1HH2 ARG 25 1HH2 ARG 25 -11.240 -5.400 -0.036
164 2HH2 ARG 25 2HH2 ARG 25 -12.113 -6.795 0.503
165 H ASP 26 H ASP 26 -8.948 -0.874 1.780
166 HA ASP 26 HA ASP 26 -9.762 0.672 4.210
167 1HB ASP 26 2HB ASP 26 -7.645 -1.374 3.544
168 2HB ASP 26 1HB ASP 26 -7.534 -0.395 5.006
169 H LYS 27 H LYS 27 -8.091 1.067 1.273
170 HA LYS 27 HA LYS 27 -6.612 2.710 0.471
171 1HB LYS 27 2HB LYS 27 -8.358 3.834 2.520
172 2HB LYS 27 1HB LYS 27 -6.835 4.715 2.418
173 1HG LYS 27 2HG LYS 27 -7.619 4.203 -0.251
174 2HG LYS 27 1HG LYS 27 -9.069 4.751 0.589
175 1HD LYS 27 2HD LYS 27 -7.678 6.666 1.514
176 2HD LYS 27 1HD LYS 27 -6.405 6.177 0.396
177 1HE LYS 27 2HE LYS 27 -8.872 6.311 -1.070
178 2HE LYS 27 1HE LYS 27 -8.664 7.825 -0.170
179 1HZ LYS 27 1HZ LYS 27 -7.469 7.933 -2.260
180 2HZ LYS 27 2HZ LYS 27 -6.616 6.514 -1.883
181 3HZ LYS 27 3HZ LYS 27 -6.369 7.926 -0.970
182 H TRP 28 H TRP 28 -5.462 0.659 2.230
183 HA TRP 28 HA TRP 28 -3.163 2.247 3.298
184 1HB TRP 28 2HB TRP 28 -3.112 0.769 5.255
185 2HB TRP 28 1HB TRP 28 -4.680 1.547 5.119
186 HD1 TRP 28 HD1 TRP 28 -4.595 -1.128 2.600
187 HE1 TRP 28 HE1 TRP 28 -5.789 -3.238 3.465
188 HE3 TRP 28 HE3 TRP 28 -4.930 0.011 7.568
189 HZ2 TRP 28 HZ2 TRP 28 -6.757 -4.308 5.929
190 HZ3 TRP 28 HZ3 TRP 28 -5.992 -1.572 9.150
191 HH2 TRP 28 HH2 TRP 28 -6.906 -3.729 8.338
192 H CYS 29 H CYS 29 -1.458 0.273 4.028
193 HA CYS 29 HA CYS 29 -0.595 -0.805 1.451
194 1HB CYS 29 2HB CYS 29 0.665 0.123 3.629
195 2HB CYS 29 1HB CYS 29 0.651 -1.589 4.051
196 H LYS 30 H LYS 30 -1.063 -2.802 0.685
197 HA LYS 30 HA LYS 30 -1.987 -4.927 2.598
198 1HB LYS 30 2HB LYS 30 -3.146 -3.760 0.126
199 2HB LYS 30 1HB LYS 30 -3.216 -5.519 0.232
200 1HG LYS 30 2HG LYS 30 -4.009 -4.905 2.736
201 2HG LYS 30 1HG LYS 30 -4.585 -3.467 1.892
202 1HD LYS 30 2HD LYS 30 -6.042 -4.680 0.535
203 2HD LYS 30 1HD LYS 30 -5.132 -6.178 0.723
204 1HE LYS 30 2HE LYS 30 -5.831 -6.167 3.176
205 2HE LYS 30 1HE LYS 30 -6.956 -4.859 2.756
206 1HZ LYS 30 1HZ LYS 30 -6.813 -7.507 1.406
207 2HZ LYS 30 2HZ LYS 30 -7.889 -6.249 1.019
208 3HZ LYS 30 3HZ LYS 30 -8.006 -7.041 2.517
209 H VAL 31 H VAL 31 -1.653 -7.172 1.618
210 HA VAL 31 HA VAL 31 1.056 -7.372 0.529
211 HB VAL 31 HB VAL 31 -0.024 -8.875 2.259
212 1HG1 VAL 31 1HG1 VAL 31 -1.726 -10.351 1.724
213 2HG1 VAL 31 2HG1 VAL 31 -1.307 -10.380 0.011
214 3HG1 VAL 31 3HG1 VAL 31 -2.164 -8.995 0.688
215 1HG2 VAL 31 1HG2 VAL 31 2.000 -9.473 0.829
216 2HG2 VAL 31 2HG2 VAL 31 0.895 -10.388 -0.197
217 3HG2 VAL 31 3HG2 VAL 31 1.108 -10.842 1.494
218 H LEU 32 H LEU 32 1.627 -8.231 -1.531
219 HA LEU 32 HA LEU 32 -0.570 -8.636 -3.517
220 1HB LEU 32 2HB LEU 32 0.204 -6.256 -3.516
221 2HB LEU 32 1HB LEU 32 1.840 -6.816 -3.862
222 HG LEU 32 HG LEU 32 0.045 -8.053 -5.727
223 1HD1 LEU 32 1HD1 LEU 32 -0.054 -5.115 -6.183
224 2HD1 LEU 32 2HD1 LEU 32 -1.142 -5.751 -4.949
225 3HD1 LEU 32 3HD1 LEU 32 -1.230 -6.361 -6.601
226 1HD2 LEU 32 1HD2 LEU 32 2.267 -6.002 -5.906
227 2HD2 LEU 32 2HD2 LEU 32 1.474 -6.670 -7.333
228 3HD2 LEU 32 3HD2 LEU 32 2.363 -7.731 -6.241
229 H LEU 33 H LEU 33 -0.143 -10.712 -4.198
230 HA LEU 33 HA LEU 33 2.688 -11.605 -4.475
231 1HB LEU 33 1HB LEU 33 1.721 -13.838 -4.461
232 2HB LEU 33 2HB LEU 33 1.003 -12.907 -3.148
233 HG LEU 33 HG LEU 33 -0.676 -12.356 -5.279
234 1HD1 LEU 33 1HD1 LEU 33 0.769 -14.730 -5.928
235 2HD1 LEU 33 2HD1 LEU 33 -0.883 -15.202 -5.529
236 3HD1 LEU 33 3HD1 LEU 33 -0.587 -14.013 -6.797
237 1HD2 LEU 33 1HD2 LEU 33 -0.733 -13.748 -2.751
238 2HD2 LEU 33 2HD2 LEU 33 -2.043 -12.899 -3.571
239 3HD2 LEU 33 3HD2 LEU 33 -1.744 -14.602 -3.916
240 1HN NH2 34 1HN NH2 34 2.880 -11.053 -7.790
241 2HN NH2 34 2HN NH2 34 3.396 -10.775 -6.112
Start of MODEL 10
1 1H GLU 1 1H GLU 1 9.517 8.373 4.864
2 2H GLU 1 2H GLU 1 8.933 9.968 4.904
3 3H GLU 1 3H GLU 1 9.662 9.361 3.493
4 HA GLU 1 HA GLU 1 6.983 8.786 4.597
5 1HB GLU 1 2HB GLU 1 8.305 9.860 2.148
6 2HB GLU 1 1HB GLU 1 6.810 8.955 1.907
7 1HG GLU 1 2HG GLU 1 5.585 10.692 2.643
8 2HG GLU 1 1HG GLU 1 6.500 10.743 4.150
9 H CYS 2 H CYS 2 7.170 6.577 5.216
10 HA CYS 2 HA CYS 2 7.334 4.657 2.957
11 1HB CYS 2 2HB CYS 2 9.603 4.640 3.604
12 2HB CYS 2 1HB CYS 2 9.211 4.854 5.309
13 H LYS 3 H LYS 3 5.608 3.299 3.206
14 HA LYS 3 HA LYS 3 4.505 2.866 5.963
15 1HB LYS 3 2HB LYS 3 3.398 3.597 3.406
16 2HB LYS 3 1HB LYS 3 2.704 2.056 3.909
17 1HG LYS 3 2HG LYS 3 1.555 2.994 5.627
18 2HG LYS 3 1HG LYS 3 2.901 4.040 6.077
19 1HD LYS 3 2HD LYS 3 1.888 4.880 3.523
20 2HD LYS 3 1HD LYS 3 0.545 4.759 4.661
21 1HE LYS 3 2HE LYS 3 1.888 6.120 6.302
22 2HE LYS 3 1HE LYS 3 3.101 6.361 5.029
23 1HZ LYS 3 1HZ LYS 3 0.216 7.071 4.876
24 2HZ LYS 3 2HZ LYS 3 1.311 7.195 3.582
25 3HZ LYS 3 3HZ LYS 3 1.514 8.159 4.965
26 H GLY 4 H GLY 4 4.393 0.748 6.717
27 1HA GLY 4 2HA GLY 4 5.838 -1.321 5.278
28 2HA GLY 4 1HA GLY 4 5.003 -1.527 6.817
29 H PHE 5 H PHE 5 3.836 -3.389 6.355
30 HA PHE 5 HA PHE 5 2.019 -3.324 3.971
31 1HB PHE 5 2HB PHE 5 3.563 -5.156 3.914
32 2HB PHE 5 1HB PHE 5 3.300 -5.519 5.618
33 HD1 PHE 5 HD1 PHE 5 1.431 -5.289 2.369
34 HD2 PHE 5 HD2 PHE 5 1.765 -7.174 6.214
35 HE1 PHE 5 HE1 PHE 5 -0.396 -6.855 1.764
36 HE2 PHE 5 HE2 PHE 5 -0.059 -8.738 5.607
37 HZ PHE 5 HZ PHE 5 -1.139 -8.578 3.382
38 H GLY 6 H GLY 6 -0.182 -3.383 4.327
39 1HA GLY 6 2HA GLY 6 -2.215 -3.785 5.485
40 2HA GLY 6 1HA GLY 6 -1.285 -4.331 6.879
41 H LYS 7 H LYS 7 -0.526 -1.260 5.371
42 HA LYS 7 HA LYS 7 -1.559 0.132 7.815
43 1HB LYS 7 2HB LYS 7 0.951 0.029 6.692
44 2HB LYS 7 1HB LYS 7 0.308 1.511 5.983
45 1HG LYS 7 2HG LYS 7 -0.014 1.008 8.930
46 2HG LYS 7 1HG LYS 7 1.518 1.622 8.309
47 1HD LYS 7 2HD LYS 7 -0.405 3.186 7.022
48 2HD LYS 7 1HD LYS 7 -1.021 3.014 8.665
49 1HE LYS 7 2HE LYS 7 1.886 3.688 8.244
50 2HE LYS 7 1HE LYS 7 0.659 4.967 8.157
51 1HZ LYS 7 1HZ LYS 7 -0.183 4.307 10.299
52 2HZ LYS 7 2HZ LYS 7 1.483 4.609 10.437
53 3HZ LYS 7 3HZ LYS 7 0.910 3.011 10.385
54 H SER 8 H SER 8 -3.015 1.825 7.549
55 HA SER 8 HA SER 8 -4.764 2.036 5.399
56 1HB SER 8 2HB SER 8 -3.797 3.868 7.558
57 2HB SER 8 1HB SER 8 -4.835 4.549 6.310
58 HG SER 8 HG SER 8 -6.346 3.732 7.547
59 H CYS 9 H CYS 9 -4.500 2.659 3.302
60 HA CYS 9 HA CYS 9 -2.651 4.868 2.605
61 1HB CYS 9 2HB CYS 9 -1.192 2.939 2.593
62 2HB CYS 9 1HB CYS 9 -2.377 1.985 1.702
63 H VAL 10 H VAL 10 -3.285 5.895 0.682
64 HA VAL 10 HA VAL 10 -5.900 5.063 -0.446
65 HB VAL 10 HB VAL 10 -4.130 7.512 -0.763
66 1HG1 VAL 10 1HG1 VAL 10 -6.191 8.517 -1.806
67 2HG1 VAL 10 2HG1 VAL 10 -6.897 6.901 -1.844
68 3HG1 VAL 10 3HG1 VAL 10 -5.446 7.252 -2.782
69 1HG2 VAL 10 1HG2 VAL 10 -6.742 7.057 0.720
70 2HG2 VAL 10 2HG2 VAL 10 -5.886 8.595 0.604
71 3HG2 VAL 10 3HG2 VAL 10 -5.156 7.243 1.469
72 HA PRO 11 HA PRO 11 -3.604 3.152 -3.791
73 1HB PRO 11 2HB PRO 11 -5.801 2.289 -5.184
74 2HB PRO 11 1HB PRO 11 -5.164 1.449 -3.755
75 1HG PRO 11 2HG PRO 11 -7.473 3.318 -3.979
76 2HG PRO 11 1HG PRO 11 -7.310 1.834 -3.025
77 1HD PRO 11 2HD PRO 11 -7.073 4.319 -1.953
78 2HD PRO 11 1HD PRO 11 -6.222 2.898 -1.309
79 H GLY 12 H GLY 12 -2.900 4.079 -5.692
80 1HA GLY 12 2HA GLY 12 -4.028 5.184 -7.834
81 2HA GLY 12 1HA GLY 12 -4.341 6.480 -6.677
82 H LYS 13 H LYS 13 -2.104 6.751 -5.230
83 HA LYS 13 HA LYS 13 -0.028 7.413 -7.281
84 1HB LYS 13 2HB LYS 13 -0.927 8.538 -4.648
85 2HB LYS 13 1HB LYS 13 0.725 8.844 -5.184
86 1HG LYS 13 2HG LYS 13 -1.077 9.252 -7.391
87 2HG LYS 13 1HG LYS 13 -1.634 10.188 -6.005
88 1HD LYS 13 2HD LYS 13 0.922 10.828 -5.800
89 2HD LYS 13 1HD LYS 13 0.952 10.389 -7.509
90 1HE LYS 13 2HE LYS 13 -0.967 11.963 -7.901
91 2HE LYS 13 1HE LYS 13 -0.830 12.480 -6.208
92 1HZ LYS 13 1HZ LYS 13 1.327 12.579 -8.254
93 2HZ LYS 13 2HZ LYS 13 1.523 12.981 -6.615
94 3HZ LYS 13 3HZ LYS 13 0.505 13.913 -7.605
95 H ASN 14 H ASN 14 -0.621 4.941 -5.147
96 HA ASN 14 HA ASN 14 0.745 3.325 -4.109
97 1HB ASN 14 2HB ASN 14 1.746 3.930 -6.558
98 2HB ASN 14 1HB ASN 14 3.134 4.354 -5.560
99 1HD2 ASN 14 1HD2 ASN 14 1.577 1.746 -7.093
100 2HD2 ASN 14 2HD2 ASN 14 2.366 0.484 -6.278
101 H GLU 15 H GLU 15 0.570 4.538 -2.036
102 HA GLU 15 HA GLU 15 2.942 6.217 -1.341
103 1HB GLU 15 2HB GLU 15 0.199 5.757 -0.149
104 2HB GLU 15 1HB GLU 15 1.447 6.665 0.703
105 1HG GLU 15 2HG GLU 15 0.820 8.489 -0.458
106 2HG GLU 15 1HG GLU 15 1.430 7.703 -1.915
107 H CYS 16 H CYS 16 3.011 3.186 -1.530
108 HA CYS 16 HA CYS 16 3.448 2.442 1.331
109 1HB CYS 16 2HB CYS 16 3.209 0.904 -1.273
110 2HB CYS 16 1HB CYS 16 3.610 0.133 0.261
111 H CYS 17 H CYS 17 5.487 1.165 1.783
112 HA CYS 17 HA CYS 17 7.834 2.564 0.823
113 1HB CYS 17 2HB CYS 17 7.154 1.077 3.012
114 2HB CYS 17 1HB CYS 17 8.147 -0.080 2.125
115 H SER 18 H SER 18 9.769 1.249 -0.051
116 HA SER 18 HA SER 18 9.235 0.218 -2.635
117 1HB SER 18 2HB SER 18 11.525 0.098 -0.687
118 2HB SER 18 1HB SER 18 11.638 -0.752 -2.224
119 HG SER 18 HG SER 18 11.229 1.220 -3.271
120 H GLY 19 H GLY 19 8.514 -1.756 -3.316
121 1HA GLY 19 2HA GLY 19 8.709 -4.217 -3.229
122 2HA GLY 19 1HA GLY 19 8.803 -4.091 -1.473
123 H TYR 20 H TYR 20 6.687 -2.282 -1.006
124 HA TYR 20 HA TYR 20 4.344 -4.009 -1.714
125 1HB TYR 20 2HB TYR 20 4.643 -1.906 0.459
126 2HB TYR 20 1HB TYR 20 3.376 -3.125 0.334
127 HD1 TYR 20 HD1 TYR 20 5.757 -2.457 2.473
128 HD2 TYR 20 HD2 TYR 20 4.981 -5.527 -0.432
129 HE1 TYR 20 HE1 TYR 20 7.159 -4.039 3.767
130 HE2 TYR 20 HE2 TYR 20 6.382 -7.107 0.864
131 HH TYR 20 HH TYR 20 8.552 -6.465 2.811
132 H ALA 21 H ALA 21 2.403 -2.991 -2.471
133 HA ALA 21 HA ALA 21 2.702 -0.144 -3.376
134 1HB ALA 21 1HB ALA 21 3.027 -1.510 -5.292
135 2HB ALA 21 2HB ALA 21 1.334 -1.024 -5.385
136 3HB ALA 21 3HB ALA 21 1.759 -2.634 -4.803
137 H CYS 22 H CYS 22 0.739 1.084 -3.381
138 HA CYS 22 HA CYS 22 -1.251 0.292 -1.413
139 1HB CYS 22 2HB CYS 22 -0.296 2.628 -2.223
140 2HB CYS 22 1HB CYS 22 -1.623 2.528 -3.381
141 H ASN 23 H ASN 23 -3.133 -0.806 -1.785
142 HA ASN 23 HA ASN 23 -4.139 -1.014 -4.609
143 1HB ASN 23 2HB ASN 23 -3.570 -3.042 -2.473
144 2HB ASN 23 1HB ASN 23 -4.903 -3.353 -3.579
145 1HD2 ASN 23 1HD2 ASN 23 -2.643 -5.045 -3.655
146 2HD2 ASN 23 2HD2 ASN 23 -1.784 -4.775 -5.094
147 H SER 24 H SER 24 -6.515 -1.598 -4.660
148 HA SER 24 HA SER 24 -7.980 -0.069 -2.569
149 1HB SER 24 2HB SER 24 -8.112 0.141 -5.180
150 2HB SER 24 1HB SER 24 -9.153 -1.275 -5.064
151 HG SER 24 HG SER 24 -9.720 1.292 -4.547
152 H ARG 25 H ARG 25 -7.007 -3.180 -2.713
153 HA ARG 25 HA ARG 25 -9.429 -4.720 -2.427
154 1HB ARG 25 2HB ARG 25 -6.780 -5.238 -2.725
155 2HB ARG 25 1HB ARG 25 -6.945 -5.516 -0.991
156 1HG ARG 25 2HG ARG 25 -7.931 -7.499 -1.368
157 2HG ARG 25 1HG ARG 25 -9.176 -6.723 -2.347
158 1HD ARG 25 2HD ARG 25 -8.080 -7.169 -4.340
159 2HD ARG 25 1HD ARG 25 -6.475 -7.127 -3.585
160 HE ARG 25 HE ARG 25 -7.052 -9.329 -2.521
161 1HH1 ARG 25 2HH1 ARG 25 -7.036 -9.417 -5.634
162 2HH1 ARG 25 1HH1 ARG 25 -8.412 -10.430 -5.916
163 1HH2 ARG 25 1HH2 ARG 25 -9.639 -10.117 -2.680
164 2HH2 ARG 25 2HH2 ARG 25 -9.889 -10.827 -4.240
165 H ASP 26 H ASP 26 -7.202 -3.231 -0.058
166 HA ASP 26 HA ASP 26 -9.406 -3.325 1.972
167 1HB ASP 26 2HB ASP 26 -6.914 -4.750 1.899
168 2HB ASP 26 1HB ASP 26 -6.852 -3.592 3.226
169 H LYS 27 H LYS 27 -7.984 -1.208 0.139
170 HA LYS 27 HA LYS 27 -7.292 1.035 0.314
171 1HB LYS 27 2HB LYS 27 -9.557 0.717 1.640
172 2HB LYS 27 1HB LYS 27 -8.544 1.046 3.045
173 1HG LYS 27 2HG LYS 27 -7.705 3.108 1.802
174 2HG LYS 27 1HG LYS 27 -9.002 2.826 0.641
175 1HD LYS 27 2HD LYS 27 -10.192 4.163 2.062
176 2HD LYS 27 1HD LYS 27 -10.404 2.658 2.958
177 1HE LYS 27 2HE LYS 27 -8.360 3.209 4.300
178 2HE LYS 27 1HE LYS 27 -8.276 4.770 3.462
179 1HZ LYS 27 1HZ LYS 27 -10.886 4.040 4.524
180 2HZ LYS 27 2HZ LYS 27 -10.099 5.546 4.511
181 3HZ LYS 27 3HZ LYS 27 -9.700 4.386 5.685
182 H TRP 28 H TRP 28 -5.298 -0.842 1.148
183 HA TRP 28 HA TRP 28 -3.765 0.874 3.013
184 1HB TRP 28 2HB TRP 28 -3.346 -0.963 4.558
185 2HB TRP 28 1HB TRP 28 -5.080 -0.743 4.382
186 HD1 TRP 28 HD1 TRP 28 -4.038 -2.423 1.322
187 HE1 TRP 28 HE1 TRP 28 -4.373 -4.970 1.483
188 HE3 TRP 28 HE3 TRP 28 -4.727 -2.900 6.357
189 HZ2 TRP 28 HZ2 TRP 28 -4.874 -6.952 3.482
190 HZ3 TRP 28 HZ3 TRP 28 -5.135 -5.129 7.362
191 HH2 TRP 28 HH2 TRP 28 -5.210 -7.154 5.932
192 H CYS 29 H CYS 29 -1.564 -0.703 3.425
193 HA CYS 29 HA CYS 29 -0.345 -0.758 0.753
194 1HB CYS 29 2HB CYS 29 0.509 -1.031 3.614
195 2HB CYS 29 1HB CYS 29 1.599 -1.615 2.358
196 H LYS 30 H LYS 30 -0.276 -2.560 -0.507
197 HA LYS 30 HA LYS 30 -0.612 -5.238 0.807
198 1HB LYS 30 2HB LYS 30 -2.268 -3.938 -0.978
199 2HB LYS 30 1HB LYS 30 -1.299 -4.954 -2.046
200 1HG LYS 30 2HG LYS 30 -2.124 -6.406 0.341
201 2HG LYS 30 1HG LYS 30 -3.514 -5.771 -0.541
202 1HD LYS 30 2HD LYS 30 -2.105 -6.705 -2.628
203 2HD LYS 30 1HD LYS 30 -1.496 -7.797 -1.385
204 1HE LYS 30 2HE LYS 30 -4.424 -7.439 -1.291
205 2HE LYS 30 1HE LYS 30 -3.837 -8.198 -2.783
206 1HZ LYS 30 1HZ LYS 30 -2.422 -9.641 -1.342
207 2HZ LYS 30 2HZ LYS 30 -4.090 -9.914 -1.173
208 3HZ LYS 30 3HZ LYS 30 -3.247 -9.029 0.008
209 H VAL 31 H VAL 31 0.945 -6.762 0.306
210 HA VAL 31 HA VAL 31 3.417 -5.970 -0.911
211 HB VAL 31 HB VAL 31 3.127 -7.722 0.825
212 1HG1 VAL 31 1HG1 VAL 31 1.035 -8.617 -0.663
213 2HG1 VAL 31 2HG1 VAL 31 1.864 -9.606 0.537
214 3HG1 VAL 31 3HG1 VAL 31 2.285 -9.753 -1.168
215 1HG2 VAL 31 1HG2 VAL 31 4.858 -9.091 0.038
216 2HG2 VAL 31 2HG2 VAL 31 5.028 -7.658 -0.976
217 3HG2 VAL 31 3HG2 VAL 31 4.234 -9.099 -1.612
218 H LEU 32 H LEU 32 4.161 -6.186 -2.996
219 HA LEU 32 HA LEU 32 2.236 -6.736 -5.129
220 1HB LEU 32 2HB LEU 32 5.162 -5.993 -4.941
221 2HB LEU 32 1HB LEU 32 4.395 -6.321 -6.495
222 HG LEU 32 HG LEU 32 3.115 -4.395 -4.573
223 1HD1 LEU 32 1HD1 LEU 32 4.636 -2.980 -6.539
224 2HD1 LEU 32 2HD1 LEU 32 5.726 -4.077 -5.691
225 3HD1 LEU 32 3HD1 LEU 32 4.780 -2.898 -4.783
226 1HD2 LEU 32 1HD2 LEU 32 3.021 -3.653 -7.336
227 2HD2 LEU 32 2HD2 LEU 32 1.693 -4.190 -6.309
228 3HD2 LEU 32 3HD2 LEU 32 2.634 -5.370 -7.220
229 H LEU 33 H LEU 33 2.077 -8.617 -6.339
230 HA LEU 33 HA LEU 33 4.152 -10.734 -5.932
231 1HB LEU 33 1HB LEU 33 2.351 -12.367 -5.598
232 2HB LEU 33 2HB LEU 33 2.206 -11.065 -4.420
233 HG LEU 33 HG LEU 33 0.747 -10.269 -6.731
234 1HD1 LEU 33 1HD1 LEU 33 0.135 -13.089 -5.795
235 2HD1 LEU 33 2HD1 LEU 33 -0.931 -12.119 -6.811
236 3HD1 LEU 33 3HD1 LEU 33 0.653 -12.609 -7.411
237 1HD2 LEU 33 1HD2 LEU 33 -0.169 -11.274 -4.016
238 2HD2 LEU 33 2HD2 LEU 33 0.281 -9.613 -4.402
239 3HD2 LEU 33 3HD2 LEU 33 -1.150 -10.333 -5.140
240 1HN NH2 34 1HN NH2 34 4.348 -10.645 -9.315
241 2HN NH2 34 2HN NH2 34 5.001 -10.253 -7.709
Start of MODEL 11
1 1H GLU 1 1H GLU 1 -0.164 6.752 -10.363
2 2H GLU 1 2H GLU 1 1.037 7.116 -11.507
3 3H GLU 1 3H GLU 1 1.458 6.868 -9.879
4 HA GLU 1 HA GLU 1 0.359 4.797 -11.719
5 1HB GLU 1 2HB GLU 1 3.084 5.621 -10.737
6 2HB GLU 1 1HB GLU 1 2.783 3.937 -11.164
7 1HG GLU 1 2HG GLU 1 1.721 5.042 -13.340
8 2HG GLU 1 1HG GLU 1 2.815 6.360 -12.917
9 H CYS 2 H CYS 2 0.624 2.602 -10.686
10 HA CYS 2 HA CYS 2 -0.318 2.674 -7.883
11 1HB CYS 2 2HB CYS 2 -0.964 0.408 -8.341
12 2HB CYS 2 1HB CYS 2 -1.292 1.311 -9.817
13 H LYS 3 H LYS 3 0.634 0.678 -6.538
14 HA LYS 3 HA LYS 3 3.621 0.634 -6.831
15 1HB LYS 3 2HB LYS 3 1.870 1.178 -4.419
16 2HB LYS 3 1HB LYS 3 3.575 0.750 -4.268
17 1HG LYS 3 2HG LYS 3 4.120 2.670 -5.805
18 2HG LYS 3 1HG LYS 3 2.423 3.146 -5.724
19 1HD LYS 3 2HD LYS 3 2.835 3.000 -3.114
20 2HD LYS 3 1HD LYS 3 4.519 3.231 -3.584
21 1HE LYS 3 2HE LYS 3 3.980 5.460 -3.529
22 2HE LYS 3 1HE LYS 3 3.251 5.141 -5.115
23 1HZ LYS 3 1HZ LYS 3 1.203 4.465 -3.926
24 2HZ LYS 3 2HZ LYS 3 1.589 6.104 -3.704
25 3HZ LYS 3 3HZ LYS 3 1.903 4.981 -2.470
26 H GLY 4 H GLY 4 4.608 -1.337 -6.168
27 1HA GLY 4 2HA GLY 4 2.823 -3.670 -6.166
28 2HA GLY 4 1HA GLY 4 4.585 -3.714 -6.191
29 H PHE 5 H PHE 5 5.677 -3.976 -4.259
30 HA PHE 5 HA PHE 5 4.072 -3.859 -1.728
31 1HB PHE 5 2HB PHE 5 4.197 -6.163 -2.553
32 2HB PHE 5 1HB PHE 5 5.946 -6.033 -2.724
33 HD1 PHE 5 HD1 PHE 5 3.180 -5.885 -0.216
34 HD2 PHE 5 HD2 PHE 5 7.382 -6.474 -0.898
35 HE1 PHE 5 HE1 PHE 5 3.468 -6.582 2.147
36 HE2 PHE 5 HE2 PHE 5 7.667 -7.171 1.465
37 HZ PHE 5 HZ PHE 5 5.710 -7.225 2.986
38 H GLY 6 H GLY 6 5.257 -3.142 0.085
39 1HA GLY 6 2HA GLY 6 7.058 -2.241 1.300
40 2HA GLY 6 1HA GLY 6 8.150 -2.956 0.114
41 H LYS 7 H LYS 7 5.519 -0.725 -0.678
42 HA LYS 7 HA LYS 7 7.576 1.273 -1.564
43 1HB LYS 7 2HB LYS 7 5.472 -0.128 -2.905
44 2HB LYS 7 1HB LYS 7 5.032 1.579 -2.855
45 1HG LYS 7 2HG LYS 7 6.353 1.149 -4.861
46 2HG LYS 7 1HG LYS 7 7.288 2.151 -3.750
47 1HD LYS 7 2HD LYS 7 8.748 0.435 -3.205
48 2HD LYS 7 1HD LYS 7 7.563 -0.825 -3.556
49 1HE LYS 7 2HE LYS 7 7.762 -0.232 -6.005
50 2HE LYS 7 1HE LYS 7 9.104 0.845 -5.572
51 1HZ LYS 7 1HZ LYS 7 9.912 -1.375 -6.127
52 2HZ LYS 7 2HZ LYS 7 8.932 -2.052 -4.915
53 3HZ LYS 7 3HZ LYS 7 10.211 -1.015 -4.496
54 H SER 8 H SER 8 7.465 3.207 -0.498
55 HA SER 8 HA SER 8 5.813 3.868 1.647
56 1HB SER 8 2HB SER 8 7.293 5.444 -0.444
57 2HB SER 8 1HB SER 8 6.346 6.296 0.774
58 HG SER 8 HG SER 8 8.652 4.743 1.033
59 H CYS 9 H CYS 9 3.654 4.335 1.826
60 HA CYS 9 HA CYS 9 2.210 5.640 -0.416
61 1HB CYS 9 2HB CYS 9 2.033 3.319 -0.996
62 2HB CYS 9 1HB CYS 9 1.714 2.857 0.675
63 H VAL 10 H VAL 10 0.373 6.776 0.311
64 HA VAL 10 HA VAL 10 0.058 6.975 3.267
65 HB VAL 10 HB VAL 10 -0.917 8.652 0.926
66 1HG1 VAL 10 1HG1 VAL 10 -2.494 8.969 2.694
67 2HG1 VAL 10 2HG1 VAL 10 -1.378 10.331 2.801
68 3HG1 VAL 10 3HG1 VAL 10 -1.225 8.976 3.919
69 1HG2 VAL 10 1HG2 VAL 10 0.762 10.197 2.461
70 2HG2 VAL 10 2HG2 VAL 10 1.259 9.327 1.010
71 3HG2 VAL 10 3HG2 VAL 10 1.515 8.607 2.600
72 HA PRO 11 HA PRO 11 -3.593 4.451 2.848
73 1HB PRO 11 2HB PRO 11 -4.482 4.736 5.426
74 2HB PRO 11 1HB PRO 11 -3.150 3.656 4.968
75 1HG PRO 11 2HG PRO 11 -3.048 6.378 6.172
76 2HG PRO 11 1HG PRO 11 -2.046 4.957 6.505
77 1HD PRO 11 2HD PRO 11 -1.215 7.033 4.959
78 2HD PRO 11 1HD PRO 11 -0.646 5.363 4.736
79 H GLY 12 H GLY 12 -5.738 4.917 2.361
80 1HA GLY 12 2HA GLY 12 -7.668 6.504 3.200
81 2HA GLY 12 1HA GLY 12 -6.579 7.763 2.609
82 H LYS 13 H LYS 13 -5.679 7.107 0.272
83 HA LYS 13 HA LYS 13 -8.099 6.614 -1.405
84 1HB LYS 13 2HB LYS 13 -6.544 8.687 -1.505
85 2HB LYS 13 1HB LYS 13 -5.395 7.614 -2.306
86 1HG LYS 13 2HG LYS 13 -6.584 8.548 -4.108
87 2HG LYS 13 1HG LYS 13 -7.398 7.004 -3.857
88 1HD LYS 13 2HD LYS 13 -8.788 8.601 -2.133
89 2HD LYS 13 1HD LYS 13 -8.390 9.753 -3.407
90 1HE LYS 13 2HE LYS 13 -10.311 8.878 -4.352
91 2HE LYS 13 1HE LYS 13 -9.176 7.644 -4.930
92 1HZ LYS 13 1HZ LYS 13 -10.646 7.529 -2.347
93 2HZ LYS 13 2HZ LYS 13 -9.600 6.339 -2.962
94 3HZ LYS 13 3HZ LYS 13 -11.074 6.665 -3.742
95 H ASN 14 H ASN 14 -5.325 4.970 -0.299
96 HA ASN 14 HA ASN 14 -4.336 2.929 -0.897
97 1HB ASN 14 2HB ASN 14 -7.123 2.920 -1.809
98 2HB ASN 14 1HB ASN 14 -6.102 1.818 -2.733
99 1HD2 ASN 14 1HD2 ASN 14 -7.258 2.561 0.556
100 2HD2 ASN 14 2HD2 ASN 14 -6.836 1.058 1.222
101 H GLU 15 H GLU 15 -2.595 4.017 -2.036
102 HA GLU 15 HA GLU 15 -2.882 4.316 -4.984
103 1HB GLU 15 2HB GLU 15 -0.725 5.038 -2.970
104 2HB GLU 15 1HB GLU 15 -0.622 5.395 -4.695
105 1HG GLU 15 2HG GLU 15 -2.346 6.971 -4.608
106 2HG GLU 15 1HG GLU 15 -3.045 6.273 -3.146
107 H CYS 16 H CYS 16 -3.046 1.660 -4.291
108 HA CYS 16 HA CYS 16 -0.318 0.554 -4.874
109 1HB CYS 16 2HB CYS 16 -2.650 -0.344 -3.194
110 2HB CYS 16 1HB CYS 16 -1.475 -1.521 -3.780
111 H CYS 17 H CYS 17 -0.386 -1.499 -6.171
112 HA CYS 17 HA CYS 17 -2.241 -1.240 -8.446
113 1HB CYS 17 2HB CYS 17 0.391 -2.156 -7.950
114 2HB CYS 17 1HB CYS 17 -0.524 -3.570 -8.474
115 H SER 18 H SER 18 -3.120 -3.457 -9.315
116 HA SER 18 HA SER 18 -5.115 -4.483 -7.598
117 1HB SER 18 2HB SER 18 -4.834 -4.623 -10.143
118 2HB SER 18 1HB SER 18 -3.765 -5.992 -9.852
119 HG SER 18 HG SER 18 -6.524 -5.726 -9.417
120 H GLY 19 H GLY 19 -5.035 -5.942 -5.927
121 1HA GLY 19 2HA GLY 19 -4.308 -8.023 -4.916
122 2HA GLY 19 1HA GLY 19 -2.801 -7.906 -5.825
123 H TYR 20 H TYR 20 -2.510 -4.999 -5.090
124 HA TYR 20 HA TYR 20 -1.491 -5.446 -2.311
125 1HB TYR 20 2HB TYR 20 -0.716 -3.486 -4.498
126 2HB TYR 20 1HB TYR 20 0.071 -3.608 -2.924
127 HD1 TYR 20 HD1 TYR 20 1.032 -5.929 -2.255
128 HD2 TYR 20 HD2 TYR 20 -0.006 -4.842 -6.280
129 HE1 TYR 20 HE1 TYR 20 2.476 -7.750 -3.120
130 HE2 TYR 20 HE2 TYR 20 1.437 -6.664 -7.144
131 HH TYR 20 HH TYR 20 2.294 -9.091 -5.870
132 H ALA 21 H ALA 21 -1.604 -3.558 -0.843
133 HA ALA 21 HA ALA 21 -3.620 -1.468 -1.483
134 1HB ALA 21 1HB ALA 21 -4.856 -3.432 -0.618
135 2HB ALA 21 2HB ALA 21 -4.930 -2.093 0.526
136 3HB ALA 21 3HB ALA 21 -3.833 -3.443 0.817
137 H CYS 22 H CYS 22 -3.416 0.377 -0.071
138 HA CYS 22 HA CYS 22 -0.793 0.836 1.038
139 1HB CYS 22 2HB CYS 22 -2.733 2.401 0.112
140 2HB CYS 22 1HB CYS 22 -3.195 2.453 1.813
141 H ASN 23 H ASN 23 -0.047 0.471 3.099
142 HA ASN 23 HA ASN 23 -2.006 -0.523 5.141
143 1HB ASN 23 2HB ASN 23 0.349 -1.585 4.040
144 2HB ASN 23 1HB ASN 23 0.816 -1.034 5.649
145 1HD2 ASN 23 1HD2 ASN 23 0.004 -2.203 7.468
146 2HD2 ASN 23 2HD2 ASN 23 -0.991 -3.569 7.323
147 H SER 24 H SER 24 -1.839 0.275 7.288
148 HA SER 24 HA SER 24 -0.482 2.917 7.551
149 1HB SER 24 2HB SER 24 -2.026 3.142 9.476
150 2HB SER 24 1HB SER 24 -2.899 2.704 8.010
151 HG SER 24 HG SER 24 -2.604 1.344 10.350
152 H ARG 25 H ARG 25 0.338 -0.245 8.169
153 HA ARG 25 HA ARG 25 1.409 0.049 10.887
154 1HB ARG 25 2HB ARG 25 0.561 -2.086 10.017
155 2HB ARG 25 1HB ARG 25 1.737 -2.041 8.705
156 1HG ARG 25 2HG ARG 25 2.947 -1.734 11.368
157 2HG ARG 25 1HG ARG 25 2.129 -3.280 11.142
158 1HD ARG 25 2HD ARG 25 3.489 -2.959 8.742
159 2HD ARG 25 1HD ARG 25 4.629 -2.321 9.943
160 HE ARG 25 HE ARG 25 3.357 -5.025 10.166
161 1HH1 ARG 25 2HH1 ARG 25 4.665 -3.814 12.615
162 2HH1 ARG 25 1HH1 ARG 25 6.256 -4.495 12.530
163 1HH2 ARG 25 1HH2 ARG 25 5.951 -5.467 9.209
164 2HH2 ARG 25 2HH2 ARG 25 6.985 -5.432 10.598
165 H ASP 26 H ASP 26 2.941 -0.572 7.692
166 HA ASP 26 HA ASP 26 5.467 0.646 8.726
167 1HB ASP 26 2HB ASP 26 4.947 -1.712 7.465
168 2HB ASP 26 1HB ASP 26 5.332 -0.689 6.082
169 H LYS 27 H LYS 27 2.842 1.909 7.387
170 HA LYS 27 HA LYS 27 2.376 3.734 5.980
171 1HB LYS 27 2HB LYS 27 5.336 4.173 6.504
172 2HB LYS 27 1HB LYS 27 4.210 5.401 5.929
173 1HG LYS 27 2HG LYS 27 3.027 4.226 8.227
174 2HG LYS 27 1HG LYS 27 4.711 4.556 8.635
175 1HD LYS 27 2HD LYS 27 4.494 6.869 8.080
176 2HD LYS 27 1HD LYS 27 2.937 6.606 7.294
177 1HE LYS 27 2HE LYS 27 1.880 6.086 9.426
178 2HE LYS 27 1HE LYS 27 3.445 6.163 10.259
179 1HZ LYS 27 1HZ LYS 27 3.686 8.455 9.558
180 2HZ LYS 27 2HZ LYS 27 2.235 8.271 10.423
181 3HZ LYS 27 3HZ LYS 27 2.207 8.393 8.729
182 H TRP 28 H TRP 28 2.960 1.272 4.580
183 HA TRP 28 HA TRP 28 3.899 2.436 2.016
184 1HB TRP 28 2HB TRP 28 5.541 0.666 1.684
185 2HB TRP 28 1HB TRP 28 5.877 1.500 3.193
186 HD1 TRP 28 HD1 TRP 28 3.005 -0.694 3.838
187 HE1 TRP 28 HE1 TRP 28 3.755 -2.894 4.941
188 HE3 TRP 28 HE3 TRP 28 8.034 -0.431 2.993
189 HZ2 TRP 28 HZ2 TRP 28 6.171 -4.353 5.409
190 HZ3 TRP 28 HZ3 TRP 28 9.536 -2.240 3.779
191 HH2 TRP 28 HH2 TRP 28 8.610 -4.199 4.984
192 H CYS 29 H CYS 29 3.888 0.238 0.415
193 HA CYS 29 HA CYS 29 1.025 -0.493 0.381
194 1HB CYS 29 2HB CYS 29 2.426 0.346 -1.583
195 2HB CYS 29 1HB CYS 29 3.233 -1.222 -1.562
196 H LYS 30 H LYS 30 0.277 -2.471 1.014
197 HA LYS 30 HA LYS 30 2.237 -4.723 1.331
198 1HB LYS 30 2HB LYS 30 1.543 -3.539 3.455
199 2HB LYS 30 1HB LYS 30 -0.116 -4.034 3.119
200 1HG LYS 30 2HG LYS 30 0.288 -6.235 3.623
201 2HG LYS 30 1HG LYS 30 1.947 -6.175 3.031
202 1HD LYS 30 2HD LYS 30 2.066 -4.460 5.170
203 2HD LYS 30 1HD LYS 30 0.900 -5.656 5.736
204 1HE LYS 30 2HE LYS 30 2.788 -6.825 6.331
205 2HE LYS 30 1HE LYS 30 2.808 -7.280 4.616
206 1HZ LYS 30 1HZ LYS 30 4.920 -6.307 5.205
207 2HZ LYS 30 2HZ LYS 30 4.157 -4.926 5.836
208 3HZ LYS 30 3HZ LYS 30 4.095 -5.248 4.168
209 H VAL 31 H VAL 31 1.213 -6.875 1.129
210 HA VAL 31 HA VAL 31 -0.591 -7.144 -1.055
211 HB VAL 31 HB VAL 31 0.142 -8.989 1.243
212 1HG1 VAL 31 1HG1 VAL 31 -1.905 -9.826 0.270
213 2HG1 VAL 31 2HG1 VAL 31 -0.580 -10.804 -0.362
214 3HG1 VAL 31 3HG1 VAL 31 -1.303 -9.544 -1.363
215 1HG2 VAL 31 1HG2 VAL 31 2.105 -8.502 0.015
216 2HG2 VAL 31 2HG2 VAL 31 1.241 -8.474 -1.523
217 3HG2 VAL 31 3HG2 VAL 31 1.528 -10.007 -0.700
218 H LEU 32 H LEU 32 -2.786 -6.903 -1.147
219 HA LEU 32 HA LEU 32 -4.376 -6.036 1.072
220 1HB LEU 32 2HB LEU 32 -4.777 -5.627 -1.368
221 2HB LEU 32 1HB LEU 32 -5.219 -7.325 -1.547
222 HG LEU 32 HG LEU 32 -6.628 -5.936 0.642
223 1HD1 LEU 32 1HD1 LEU 32 -8.216 -4.853 -1.020
224 2HD1 LEU 32 2HD1 LEU 32 -6.979 -5.108 -2.251
225 3HD1 LEU 32 3HD1 LEU 32 -6.645 -4.066 -0.868
226 1HD2 LEU 32 1HD2 LEU 32 -7.607 -7.542 -1.742
227 2HD2 LEU 32 2HD2 LEU 32 -8.512 -7.187 -0.270
228 3HD2 LEU 32 3HD2 LEU 32 -7.106 -8.250 -0.206
229 H LEU 33 H LEU 33 -5.594 -7.198 2.546
230 HA LEU 33 HA LEU 33 -5.552 -10.190 2.313
231 1HB LEU 33 1HB LEU 33 -5.559 -8.258 4.647
232 2HB LEU 33 2HB LEU 33 -5.836 -9.988 4.849
233 HG LEU 33 HG LEU 33 -3.445 -9.103 3.274
234 1HD1 LEU 33 1HD1 LEU 33 -3.617 -7.790 5.497
235 2HD1 LEU 33 2HD1 LEU 33 -3.342 -9.345 6.283
236 3HD1 LEU 33 3HD1 LEU 33 -2.126 -8.679 5.192
237 1HD2 LEU 33 1HD2 LEU 33 -4.322 -11.453 4.924
238 2HD2 LEU 33 2HD2 LEU 33 -3.621 -11.426 3.306
239 3HD2 LEU 33 3HD2 LEU 33 -2.597 -11.153 4.716
240 1HN NH2 34 1HN NH2 34 -8.893 -8.192 1.956
241 2HN NH2 34 2HN NH2 34 -7.210 -7.750 1.595
Start of MODEL 12
1 1H GLU 1 1H GLU 1 10.028 4.838 5.383
2 2H GLU 1 2H GLU 1 9.176 4.378 6.780
3 3H GLU 1 3H GLU 1 9.360 6.023 6.397
4 HA GLU 1 HA GLU 1 7.113 5.245 5.856
5 1HB GLU 1 2HB GLU 1 8.632 6.966 4.585
6 2HB GLU 1 1HB GLU 1 8.662 5.742 3.317
7 1HG GLU 1 2HG GLU 1 5.999 5.798 3.881
8 2HG GLU 1 1HG GLU 1 6.434 7.473 4.222
9 H CYS 2 H CYS 2 7.701 2.742 6.330
10 HA CYS 2 HA CYS 2 7.290 1.286 3.743
11 1HB CYS 2 2HB CYS 2 9.365 1.016 5.860
12 2HB CYS 2 1HB CYS 2 8.720 -0.489 5.207
13 H LYS 3 H LYS 3 5.493 -0.004 3.845
14 HA LYS 3 HA LYS 3 4.513 -0.890 6.542
15 1HB LYS 3 2HB LYS 3 3.285 0.649 4.355
16 2HB LYS 3 1HB LYS 3 2.292 -0.703 4.901
17 1HG LYS 3 2HG LYS 3 1.656 0.534 6.667
18 2HG LYS 3 1HG LYS 3 3.325 0.509 7.239
19 1HD LYS 3 2HD LYS 3 3.851 2.529 6.049
20 2HD LYS 3 1HD LYS 3 2.313 2.490 5.186
21 1HE LYS 3 2HE LYS 3 1.079 2.900 7.246
22 2HE LYS 3 1HE LYS 3 2.570 2.784 8.201
23 1HZ LYS 3 1HZ LYS 3 2.041 5.096 7.677
24 2HZ LYS 3 2HZ LYS 3 2.069 4.739 6.016
25 3HZ LYS 3 3HZ LYS 3 3.492 4.623 6.938
26 H GLY 4 H GLY 4 3.956 -3.065 6.670
27 1HA GLY 4 2HA GLY 4 4.688 -4.817 4.457
28 2HA GLY 4 1HA GLY 4 4.045 -5.333 6.016
29 H PHE 5 H PHE 5 3.057 -6.630 3.843
30 HA PHE 5 HA PHE 5 0.767 -5.441 2.579
31 1HB PHE 5 2HB PHE 5 1.902 -7.407 1.699
32 2HB PHE 5 1HB PHE 5 1.560 -8.311 3.174
33 HD1 PHE 5 HD1 PHE 5 0.041 -6.771 0.159
34 HD2 PHE 5 HD2 PHE 5 -0.596 -9.299 3.575
35 HE1 PHE 5 HE1 PHE 5 -2.142 -7.484 -0.774
36 HE2 PHE 5 HE2 PHE 5 -2.779 -10.013 2.639
37 HZ PHE 5 HZ PHE 5 -3.551 -9.105 0.465
38 H GLY 6 H GLY 6 -1.337 -5.241 3.288
39 1HA GLY 6 2HA GLY 6 -3.270 -5.938 4.567
40 2HA GLY 6 1HA GLY 6 -2.195 -6.729 5.714
41 H LYS 7 H LYS 7 -0.780 -3.789 5.107
42 HA LYS 7 HA LYS 7 -1.816 -2.672 7.644
43 1HB LYS 7 2HB LYS 7 0.456 -2.099 5.735
44 2HB LYS 7 1HB LYS 7 0.062 -0.977 7.037
45 1HG LYS 7 2HG LYS 7 0.365 -3.891 7.676
46 2HG LYS 7 1HG LYS 7 1.813 -2.910 7.447
47 1HD LYS 7 2HD LYS 7 -0.172 -1.570 9.124
48 2HD LYS 7 1HD LYS 7 0.342 -3.116 9.802
49 1HE LYS 7 2HE LYS 7 2.698 -2.443 9.642
50 2HE LYS 7 1HE LYS 7 2.224 -0.910 8.883
51 1HZ LYS 7 1HZ LYS 7 0.888 -0.391 10.825
52 2HZ LYS 7 2HZ LYS 7 2.505 -0.649 11.279
53 3HZ LYS 7 3HZ LYS 7 1.338 -1.852 11.562
54 H SER 8 H SER 8 -3.508 -1.265 7.595
55 HA SER 8 HA SER 8 -4.841 -0.268 5.346
56 1HB SER 8 2HB SER 8 -5.733 1.420 6.986
57 2HB SER 8 1HB SER 8 -5.752 -0.230 7.596
58 HG SER 8 HG SER 8 -4.820 0.928 9.190
59 H CYS 9 H CYS 9 -4.422 1.353 3.890
60 HA CYS 9 HA CYS 9 -2.697 3.642 4.575
61 1HB CYS 9 2HB CYS 9 -1.098 1.845 4.029
62 2HB CYS 9 1HB CYS 9 -1.926 1.563 2.497
63 H VAL 10 H VAL 10 -2.875 5.333 2.983
64 HA VAL 10 HA VAL 10 -5.284 5.111 1.266
65 HB VAL 10 HB VAL 10 -3.471 7.383 2.142
66 1HG1 VAL 10 1HG1 VAL 10 -5.860 7.330 0.294
67 2HG1 VAL 10 2HG1 VAL 10 -4.286 8.081 0.029
68 3HG1 VAL 10 3HG1 VAL 10 -5.415 8.787 1.185
69 1HG2 VAL 10 1HG2 VAL 10 -5.360 8.033 3.523
70 2HG2 VAL 10 2HG2 VAL 10 -5.007 6.335 3.843
71 3HG2 VAL 10 3HG2 VAL 10 -6.369 6.773 2.811
72 HA PRO 11 HA PRO 11 -2.611 4.434 -2.244
73 1HB PRO 11 2HB PRO 11 -4.578 4.505 -4.146
74 2HB PRO 11 1HB PRO 11 -4.291 3.097 -3.105
75 1HG PRO 11 2HG PRO 11 -6.361 5.223 -2.884
76 2HG PRO 11 1HG PRO 11 -6.490 3.486 -2.574
77 1HD PRO 11 2HD PRO 11 -6.249 5.354 -0.603
78 2HD PRO 11 1HD PRO 11 -5.689 3.675 -0.439
79 H GLY 12 H GLY 12 -1.782 5.766 -3.971
80 1HA GLY 12 2HA GLY 12 -2.197 7.773 -5.448
81 2HA GLY 12 1HA GLY 12 -2.853 8.565 -4.015
82 H LYS 13 H LYS 13 -1.114 8.203 -2.049
83 HA LYS 13 HA LYS 13 1.309 9.625 -2.983
84 1HB LYS 13 2HB LYS 13 -0.073 9.049 -0.373
85 2HB LYS 13 1HB LYS 13 1.605 9.591 -0.362
86 1HG LYS 13 2HG LYS 13 0.650 11.667 -0.377
87 2HG LYS 13 1HG LYS 13 0.550 11.376 -2.113
88 1HD LYS 13 2HD LYS 13 -1.691 11.529 -1.986
89 2HD LYS 13 1HD LYS 13 -1.709 10.114 -0.932
90 1HE LYS 13 2HE LYS 13 -1.401 11.543 1.045
91 2HE LYS 13 1HE LYS 13 -1.309 12.980 0.008
92 1HZ LYS 13 1HZ LYS 13 -3.565 12.661 0.815
93 2HZ LYS 13 2HZ LYS 13 -3.603 11.091 0.165
94 3HZ LYS 13 3HZ LYS 13 -3.506 12.440 -0.865
95 H ASN 14 H ASN 14 0.386 6.397 -2.151
96 HA ASN 14 HA ASN 14 1.617 4.413 -1.884
97 1HB ASN 14 2HB ASN 14 2.433 5.461 -4.086
98 2HB ASN 14 1HB ASN 14 3.851 5.990 -3.181
99 1HD2 ASN 14 1HD2 ASN 14 5.444 4.403 -2.640
100 2HD2 ASN 14 2HD2 ASN 14 5.327 2.776 -3.113
101 H GLU 15 H GLU 15 1.640 4.887 0.497
102 HA GLU 15 HA GLU 15 4.284 5.827 1.523
103 1HB GLU 15 2HB GLU 15 1.559 5.418 2.796
104 2HB GLU 15 1HB GLU 15 2.983 5.969 3.675
105 1HG GLU 15 2HG GLU 15 1.700 7.372 1.310
106 2HG GLU 15 1HG GLU 15 1.619 7.893 2.992
107 H CYS 16 H CYS 16 4.107 3.196 0.332
108 HA CYS 16 HA CYS 16 4.336 1.411 2.733
109 1HB CYS 16 2HB CYS 16 3.291 1.140 -0.045
110 2HB CYS 16 1HB CYS 16 4.132 -0.264 0.612
111 H CYS 17 H CYS 17 5.850 -0.616 1.790
112 HA CYS 17 HA CYS 17 8.489 0.658 1.344
113 1HB CYS 17 2HB CYS 17 7.575 -1.373 2.932
114 2HB CYS 17 1HB CYS 17 8.218 -2.286 1.567
115 H SER 18 H SER 18 9.989 -0.700 -0.183
116 HA SER 18 HA SER 18 9.072 -0.499 -2.871
117 1HB SER 18 2HB SER 18 11.437 -0.523 -1.950
118 2HB SER 18 1HB SER 18 11.282 -2.270 -1.786
119 HG SER 18 HG SER 18 11.430 -0.671 -4.079
120 H GLY 19 H GLY 19 7.870 -1.889 -4.114
121 1HA GLY 19 2HA GLY 19 7.275 -4.087 -4.937
122 2HA GLY 19 1HA GLY 19 7.774 -4.771 -3.392
123 H TYR 20 H TYR 20 6.210 -2.422 -2.078
124 HA TYR 20 HA TYR 20 3.496 -3.672 -2.376
125 1HB TYR 20 2HB TYR 20 4.749 -2.372 0.065
126 2HB TYR 20 1HB TYR 20 3.239 -3.279 0.011
127 HD1 TYR 20 HD1 TYR 20 6.751 -3.477 0.573
128 HD2 TYR 20 HD2 TYR 20 3.391 -5.748 -0.850
129 HE1 TYR 20 HE1 TYR 20 8.000 -5.579 0.978
130 HE2 TYR 20 HE2 TYR 20 4.642 -7.849 -0.444
131 HH TYR 20 HH TYR 20 7.683 -8.164 -0.226
132 H ALA 21 H ALA 21 1.792 -2.267 -2.716
133 HA ALA 21 HA ALA 21 2.313 0.680 -2.487
134 1HB ALA 21 1HB ALA 21 0.897 -0.838 -4.707
135 2HB ALA 21 2HB ALA 21 2.514 -0.143 -4.819
136 3HB ALA 21 3HB ALA 21 1.112 0.911 -4.638
137 H CYS 22 H CYS 22 0.551 1.862 -1.681
138 HA CYS 22 HA CYS 22 -1.514 0.462 -0.227
139 1HB CYS 22 2HB CYS 22 -1.332 3.373 -1.079
140 2HB CYS 22 1HB CYS 22 -2.290 2.737 0.259
141 H ASN 23 H ASN 23 -3.586 -0.075 -0.874
142 HA ASN 23 HA ASN 23 -4.404 0.705 -3.656
143 1HB ASN 23 2HB ASN 23 -4.312 -1.793 -2.104
144 2HB ASN 23 1HB ASN 23 -5.850 -1.537 -2.928
145 1HD2 ASN 23 1HD2 ASN 23 -2.301 -1.502 -3.577
146 2HD2 ASN 23 2HD2 ASN 23 -2.447 -1.993 -5.196
147 H SER 24 H SER 24 -6.882 0.597 -3.908
148 HA SER 24 HA SER 24 -8.141 2.066 -1.633
149 1HB SER 24 2HB SER 24 -7.967 2.975 -4.012
150 2HB SER 24 1HB SER 24 -9.108 1.719 -4.483
151 HG SER 24 HG SER 24 -10.665 2.764 -3.499
152 H ARG 25 H ARG 25 -8.625 -0.732 -3.793
153 HA ARG 25 HA ARG 25 -11.221 -1.549 -3.103
154 1HB ARG 25 2HB ARG 25 -8.717 -2.750 -4.095
155 2HB ARG 25 1HB ARG 25 -9.792 -3.903 -3.305
156 1HG ARG 25 2HG ARG 25 -11.289 -2.114 -5.037
157 2HG ARG 25 1HG ARG 25 -10.014 -2.941 -5.932
158 1HD ARG 25 2HD ARG 25 -11.086 -4.944 -5.799
159 2HD ARG 25 1HD ARG 25 -11.456 -4.717 -4.079
160 HE ARG 25 HE ARG 25 -13.421 -3.425 -4.712
161 1HH1 ARG 25 2HH1 ARG 25 -12.633 -2.187 -7.241
162 2HH1 ARG 25 1HH1 ARG 25 -13.461 -3.137 -8.430
163 1HH2 ARG 25 1HH2 ARG 25 -14.065 -5.791 -6.272
164 2HH2 ARG 25 2HH2 ARG 25 -14.272 -5.182 -7.880
165 H ASP 26 H ASP 26 -8.191 -2.605 -1.481
166 HA ASP 26 HA ASP 26 -9.794 -3.563 0.843
167 1HB ASP 26 2HB ASP 26 -6.996 -3.936 -0.213
168 2HB ASP 26 1HB ASP 26 -7.387 -4.381 1.450
169 H LYS 27 H LYS 27 -8.064 -0.781 -0.124
170 HA LYS 27 HA LYS 27 -7.362 1.135 1.042
171 1HB LYS 27 2HB LYS 27 -9.550 -0.130 2.490
172 2HB LYS 27 1HB LYS 27 -8.487 0.749 3.589
173 1HG LYS 27 2HG LYS 27 -8.628 2.654 1.807
174 2HG LYS 27 1HG LYS 27 -10.064 1.794 1.250
175 1HD LYS 27 2HD LYS 27 -11.263 2.693 2.925
176 2HD LYS 27 1HD LYS 27 -10.183 1.950 4.103
177 1HE LYS 27 2HE LYS 27 -9.219 4.427 2.719
178 2HE LYS 27 1HE LYS 27 -10.448 4.604 3.988
179 1HZ LYS 27 1HZ LYS 27 -9.076 3.240 5.451
180 2HZ LYS 27 2HZ LYS 27 -8.225 4.620 4.945
181 3HZ LYS 27 3HZ LYS 27 -7.888 3.109 4.246
182 H TRP 28 H TRP 28 -5.564 -1.132 1.057
183 HA TRP 28 HA TRP 28 -4.038 -0.495 3.523
184 1HB TRP 28 2HB TRP 28 -3.839 -2.838 4.139
185 2HB TRP 28 1HB TRP 28 -5.543 -2.438 3.988
186 HD1 TRP 28 HD1 TRP 28 -4.268 -2.736 0.567
187 HE1 TRP 28 HE1 TRP 28 -4.759 -5.062 -0.412
188 HE3 TRP 28 HE3 TRP 28 -5.556 -5.227 4.830
189 HZ2 TRP 28 HZ2 TRP 28 -5.595 -7.641 0.486
190 HZ3 TRP 28 HZ3 TRP 28 -6.199 -7.619 4.738
191 HH2 TRP 28 HH2 TRP 28 -6.221 -8.828 2.573
192 H CYS 29 H CYS 29 -1.965 -2.259 3.277
193 HA CYS 29 HA CYS 29 -0.615 -1.292 0.842
194 1HB CYS 29 2HB CYS 29 0.258 -1.505 3.298
195 2HB CYS 29 1HB CYS 29 0.493 -3.205 2.893
196 H LYS 30 H LYS 30 -1.070 -2.451 -1.007
197 HA LYS 30 HA LYS 30 -1.262 -5.436 -0.802
198 1HB LYS 30 2HB LYS 30 -3.157 -3.882 -1.698
199 2HB LYS 30 1HB LYS 30 -2.138 -3.726 -3.132
200 1HG LYS 30 2HG LYS 30 -2.043 -6.314 -3.104
201 2HG LYS 30 1HG LYS 30 -3.416 -6.217 -2.002
202 1HD LYS 30 2HD LYS 30 -4.747 -6.051 -3.813
203 2HD LYS 30 1HD LYS 30 -4.050 -4.455 -4.093
204 1HE LYS 30 2HE LYS 30 -3.556 -5.494 -6.129
205 2HE LYS 30 1HE LYS 30 -2.093 -5.898 -5.212
206 1HZ LYS 30 1HZ LYS 30 -3.140 -7.869 -6.229
207 2HZ LYS 30 2HZ LYS 30 -4.545 -7.581 -5.320
208 3HZ LYS 30 3HZ LYS 30 -3.087 -7.970 -4.536
209 H VAL 31 H VAL 31 0.025 -6.695 -2.231
210 HA VAL 31 HA VAL 31 2.596 -5.707 -2.943
211 HB VAL 31 HB VAL 31 1.873 -8.090 -2.562
212 1HG1 VAL 31 1HG1 VAL 31 -0.187 -7.799 -4.082
213 2HG1 VAL 31 2HG1 VAL 31 0.711 -9.309 -4.238
214 3HG1 VAL 31 3HG1 VAL 31 0.924 -8.029 -5.432
215 1HG2 VAL 31 1HG2 VAL 31 3.962 -7.226 -3.935
216 2HG2 VAL 31 2HG2 VAL 31 3.106 -7.953 -5.296
217 3HG2 VAL 31 3HG2 VAL 31 3.567 -8.944 -3.912
218 H LEU 32 H LEU 32 3.425 -4.865 -4.860
219 HA LEU 32 HA LEU 32 1.482 -4.392 -7.100
220 1HB LEU 32 2HB LEU 32 2.237 -2.473 -5.476
221 2HB LEU 32 1HB LEU 32 3.750 -2.541 -6.379
222 HG LEU 32 HG LEU 32 2.169 -2.449 -8.481
223 1HD1 LEU 32 1HD1 LEU 32 -0.007 -1.954 -8.131
224 2HD1 LEU 32 2HD1 LEU 32 0.401 -0.670 -6.993
225 3HD1 LEU 32 3HD1 LEU 32 0.268 -2.336 -6.432
226 1HD2 LEU 32 1HD2 LEU 32 2.035 0.211 -7.824
227 2HD2 LEU 32 2HD2 LEU 32 3.480 -0.585 -8.447
228 3HD2 LEU 32 3HD2 LEU 32 3.277 -0.359 -6.709
229 H LEU 33 H LEU 33 2.408 -6.357 -8.111
230 HA LEU 33 HA LEU 33 5.176 -5.925 -9.202
231 1HB LEU 33 1HB LEU 33 3.643 -8.383 -8.335
232 2HB LEU 33 2HB LEU 33 5.070 -8.502 -9.363
233 HG LEU 33 HG LEU 33 5.111 -6.970 -6.759
234 1HD1 LEU 33 1HD1 LEU 33 4.416 -9.401 -6.458
235 2HD1 LEU 33 2HD1 LEU 33 5.985 -9.845 -7.130
236 3HD1 LEU 33 3HD1 LEU 33 5.898 -8.930 -5.624
237 1HD2 LEU 33 1HD2 LEU 33 6.892 -6.919 -8.750
238 2HD2 LEU 33 2HD2 LEU 33 7.406 -6.899 -7.063
239 3HD2 LEU 33 3HD2 LEU 33 7.438 -8.407 -7.976
240 1HN NH2 34 1HN NH2 34 1.998 -5.917 -11.470
241 2HN NH2 34 2HN NH2 34 2.230 -5.495 -9.759
Start of MODEL 13
1 1H GLU 1 1H GLU 1 8.412 8.928 -0.080
2 2H GLU 1 2H GLU 1 9.489 8.429 1.136
3 3H GLU 1 3H GLU 1 8.634 9.888 1.300
4 HA GLU 1 HA GLU 1 7.631 8.191 2.700
5 1HB GLU 1 2HB GLU 1 6.422 9.688 0.512
6 2HB GLU 1 1HB GLU 1 5.447 8.279 0.926
7 1HG GLU 1 2HG GLU 1 6.503 9.866 3.209
8 2HG GLU 1 1HG GLU 1 5.240 10.626 2.243
9 H CYS 2 H CYS 2 8.395 6.048 2.686
10 HA CYS 2 HA CYS 2 7.272 4.269 0.545
11 1HB CYS 2 2HB CYS 2 10.020 4.758 1.481
12 2HB CYS 2 1HB CYS 2 9.592 3.048 1.424
13 H LYS 3 H LYS 3 5.637 3.241 1.679
14 HA LYS 3 HA LYS 3 6.036 2.423 4.498
15 1HB LYS 3 2HB LYS 3 3.751 2.360 2.510
16 2HB LYS 3 1HB LYS 3 3.614 1.664 4.123
17 1HG LYS 3 2HG LYS 3 3.868 3.755 5.183
18 2HG LYS 3 1HG LYS 3 4.562 4.500 3.743
19 1HD LYS 3 2HD LYS 3 2.122 3.691 2.799
20 2HD LYS 3 1HD LYS 3 1.731 4.094 4.471
21 1HE LYS 3 2HE LYS 3 3.042 6.292 4.054
22 2HE LYS 3 1HE LYS 3 2.883 5.894 2.332
23 1HZ LYS 3 1HZ LYS 3 0.651 6.055 4.293
24 2HZ LYS 3 2HZ LYS 3 0.494 5.625 2.657
25 3HZ LYS 3 3HZ LYS 3 0.986 7.193 3.082
26 H GLY 4 H GLY 4 6.064 0.224 5.168
27 1HA GLY 4 2HA GLY 4 6.960 -1.697 3.117
28 2HA GLY 4 1HA GLY 4 6.974 -1.960 4.860
29 H PHE 5 H PHE 5 6.037 -4.064 3.555
30 HA PHE 5 HA PHE 5 3.240 -4.032 2.839
31 1HB PHE 5 2HB PHE 5 4.730 -5.754 2.044
32 2HB PHE 5 1HB PHE 5 5.205 -6.183 3.686
33 HD1 PHE 5 HD1 PHE 5 3.950 -7.744 4.958
34 HD2 PHE 5 HD2 PHE 5 2.317 -6.135 1.325
35 HE1 PHE 5 HE1 PHE 5 2.086 -9.373 5.074
36 HE2 PHE 5 HE2 PHE 5 0.452 -7.766 1.442
37 HZ PHE 5 HZ PHE 5 0.337 -9.384 3.317
38 H GLY 6 H GLY 6 1.414 -4.435 4.114
39 1HA GLY 6 2HA GLY 6 0.140 -4.880 6.046
40 2HA GLY 6 1HA GLY 6 1.606 -5.469 6.827
41 H LYS 7 H LYS 7 1.267 -2.260 5.371
42 HA LYS 7 HA LYS 7 1.526 -1.067 8.117
43 1HB LYS 7 2HB LYS 7 2.717 -0.378 5.421
44 2HB LYS 7 1HB LYS 7 2.716 0.774 6.755
45 1HG LYS 7 2HG LYS 7 3.715 -2.003 7.273
46 2HG LYS 7 1HG LYS 7 4.759 -0.884 6.399
47 1HD LYS 7 2HD LYS 7 3.420 0.003 8.941
48 2HD LYS 7 1HD LYS 7 4.887 -0.973 9.017
49 1HE LYS 7 2HE LYS 7 4.882 1.396 7.177
50 2HE LYS 7 1HE LYS 7 5.049 1.684 8.920
51 1HZ LYS 7 1HZ LYS 7 6.829 0.063 8.998
52 2HZ LYS 7 2HZ LYS 7 7.205 1.273 7.867
53 3HZ LYS 7 3HZ LYS 7 6.666 -0.248 7.339
54 H SER 8 H SER 8 -0.105 0.327 8.665
55 HA SER 8 HA SER 8 -2.441 0.748 7.124
56 1HB SER 8 2HB SER 8 -1.129 2.175 9.438
57 2HB SER 8 1HB SER 8 -2.676 2.720 8.797
58 HG SER 8 HG SER 8 -3.602 1.059 9.693
59 H CYS 9 H CYS 9 -2.619 1.866 5.230
60 HA CYS 9 HA CYS 9 -1.234 4.495 4.965
61 1HB CYS 9 2HB CYS 9 -0.263 3.855 2.873
62 2HB CYS 9 1HB CYS 9 0.068 2.519 3.972
63 H VAL 10 H VAL 10 -2.154 5.723 3.034
64 HA VAL 10 HA VAL 10 -5.086 5.215 2.861
65 HB VAL 10 HB VAL 10 -4.139 7.392 3.694
66 1HG1 VAL 10 1HG1 VAL 10 -2.246 7.270 1.885
67 2HG1 VAL 10 2HG1 VAL 10 -2.917 8.841 2.318
68 3HG1 VAL 10 3HG1 VAL 10 -3.440 8.038 0.839
69 1HG2 VAL 10 1HG2 VAL 10 -6.408 7.218 2.682
70 2HG2 VAL 10 2HG2 VAL 10 -5.711 7.599 1.107
71 3HG2 VAL 10 3HG2 VAL 10 -5.670 8.796 2.401
72 HA PRO 11 HA PRO 11 -4.354 3.822 -1.312
73 1HB PRO 11 2HB PRO 11 -6.972 3.329 -1.934
74 2HB PRO 11 1HB PRO 11 -5.997 2.242 -0.926
75 1HG PRO 11 2HG PRO 11 -8.055 4.225 -0.127
76 2HG PRO 11 1HG PRO 11 -7.677 2.643 0.570
77 1HD PRO 11 2HD PRO 11 -6.892 5.051 1.647
78 2HD PRO 11 1HD PRO 11 -6.086 3.498 1.954
79 H GLY 12 H GLY 12 -5.217 4.494 -3.540
80 1HA GLY 12 2HA GLY 12 -6.586 6.179 -4.787
81 2HA GLY 12 1HA GLY 12 -6.208 7.322 -3.495
82 H LYS 13 H LYS 13 -3.742 7.639 -3.156
83 HA LYS 13 HA LYS 13 -2.517 8.097 -5.838
84 1HB LYS 13 2HB LYS 13 -2.408 9.297 -3.114
85 2HB LYS 13 1HB LYS 13 -0.929 9.387 -4.071
86 1HG LYS 13 2HG LYS 13 -3.469 10.083 -5.464
87 2HG LYS 13 1HG LYS 13 -2.879 11.233 -4.264
88 1HD LYS 13 2HD LYS 13 -1.033 10.108 -6.367
89 2HD LYS 13 1HD LYS 13 -2.053 11.506 -6.709
90 1HE LYS 13 2HE LYS 13 -0.464 11.569 -4.172
91 2HE LYS 13 1HE LYS 13 0.408 11.814 -5.698
92 1HZ LYS 13 1HZ LYS 13 -2.062 13.258 -4.882
93 2HZ LYS 13 2HZ LYS 13 -1.200 13.493 -6.328
94 3HZ LYS 13 3HZ LYS 13 -0.495 13.905 -4.838
95 H ASN 14 H ASN 14 -2.425 5.663 -3.582
96 HA ASN 14 HA ASN 14 -0.877 3.980 -3.042
97 1HB ASN 14 2HB ASN 14 0.084 5.012 -5.725
98 2HB ASN 14 1HB ASN 14 0.760 3.573 -4.961
99 1HD2 ASN 14 1HD2 ASN 14 -2.038 4.847 -6.658
100 2HD2 ASN 14 2HD2 ASN 14 -2.903 3.388 -6.720
101 H GLU 15 H GLU 15 -0.253 5.717 -1.306
102 HA GLU 15 HA GLU 15 2.270 7.138 -1.624
103 1HB GLU 15 2HB GLU 15 0.373 6.449 0.616
104 2HB GLU 15 1HB GLU 15 1.917 7.226 0.966
105 1HG GLU 15 2HG GLU 15 1.066 8.794 -1.074
106 2HG GLU 15 1HG GLU 15 -0.488 8.324 -0.386
107 H CYS 16 H CYS 16 1.470 3.843 -0.942
108 HA CYS 16 HA CYS 16 3.620 3.094 0.796
109 1HB CYS 16 2HB CYS 16 1.455 1.879 -0.015
110 2HB CYS 16 1HB CYS 16 2.452 1.352 -1.370
111 H CYS 17 H CYS 17 5.524 1.732 0.092
112 HA CYS 17 HA CYS 17 7.061 3.066 -1.991
113 1HB CYS 17 2HB CYS 17 7.687 1.867 0.296
114 2HB CYS 17 1HB CYS 17 7.824 0.447 -0.740
115 H SER 18 H SER 18 8.127 1.811 -3.787
116 HA SER 18 HA SER 18 6.305 0.561 -5.550
117 1HB SER 18 2HB SER 18 8.389 -0.119 -6.745
118 2HB SER 18 1HB SER 18 8.447 1.556 -6.208
119 HG SER 18 HG SER 18 10.041 -0.520 -5.548
120 H GLY 19 H GLY 19 5.708 -1.579 -5.902
121 1HA GLY 19 2HA GLY 19 6.051 -3.990 -5.688
122 2HA GLY 19 1HA GLY 19 6.974 -3.690 -4.212
123 H TYR 20 H TYR 20 5.274 -1.937 -2.863
124 HA TYR 20 HA TYR 20 2.943 -3.722 -2.268
125 1HB TYR 20 2HB TYR 20 4.352 -1.588 -0.624
126 2HB TYR 20 1HB TYR 20 3.049 -2.624 -0.047
127 HD1 TYR 20 HD1 TYR 20 6.361 -2.232 0.373
128 HD2 TYR 20 HD2 TYR 20 3.653 -5.260 -1.026
129 HE1 TYR 20 HE1 TYR 20 8.016 -3.983 0.955
130 HE2 TYR 20 HE2 TYR 20 5.309 -7.010 -0.445
131 HH TYR 20 HH TYR 20 8.293 -6.684 -0.123
132 H ALA 21 H ALA 21 0.883 -2.907 -2.540
133 HA ALA 21 HA ALA 21 0.613 0.002 -3.245
134 1HB ALA 21 1HB ALA 21 0.305 -1.583 -5.117
135 2HB ALA 21 2HB ALA 21 -1.216 -0.779 -4.726
136 3HB ALA 21 3HB ALA 21 -0.931 -2.436 -4.193
137 H CYS 22 H CYS 22 -1.097 1.135 -2.265
138 HA CYS 22 HA CYS 22 -2.181 0.090 0.217
139 1HB CYS 22 2HB CYS 22 -2.570 2.562 -1.477
140 2HB CYS 22 1HB CYS 22 -3.520 2.303 -0.014
141 H ASN 23 H ASN 23 -3.842 -1.374 0.259
142 HA ASN 23 HA ASN 23 -5.703 -1.603 -2.028
143 1HB ASN 23 2HB ASN 23 -4.900 -3.169 0.382
144 2HB ASN 23 1HB ASN 23 -6.522 -3.455 -0.252
145 1HD2 ASN 23 1HD2 ASN 23 -3.109 -3.219 -1.429
146 2HD2 ASN 23 2HD2 ASN 23 -3.295 -4.400 -2.633
147 H SER 24 H SER 24 -8.055 -1.607 -1.669
148 HA SER 24 HA SER 24 -8.888 0.484 0.271
149 1HB SER 24 2HB SER 24 -10.061 -0.846 -2.171
150 2HB SER 24 1HB SER 24 -11.051 0.173 -1.131
151 HG SER 24 HG SER 24 -8.900 0.827 -2.790
152 H ARG 25 H ARG 25 -8.516 -2.774 0.527
153 HA ARG 25 HA ARG 25 -11.109 -3.246 1.943
154 1HB ARG 25 2HB ARG 25 -9.544 -4.718 0.116
155 2HB ARG 25 1HB ARG 25 -9.331 -5.529 1.668
156 1HG ARG 25 2HG ARG 25 -11.953 -5.225 1.832
157 2HG ARG 25 1HG ARG 25 -11.837 -5.112 0.075
158 1HD ARG 25 2HD ARG 25 -10.763 -7.291 -0.057
159 2HD ARG 25 1HD ARG 25 -10.668 -7.391 1.712
160 HE ARG 25 HE ARG 25 -13.233 -7.223 1.649
161 1HH1 ARG 25 2HH1 ARG 25 -13.477 -6.920 -1.317
162 2HH1 ARG 25 1HH1 ARG 25 -13.814 -8.541 -1.827
163 1HH2 ARG 25 1HH2 ARG 25 -12.747 -9.980 1.151
164 2HH2 ARG 25 2HH2 ARG 25 -13.399 -10.278 -0.426
165 H ASP 26 H ASP 26 -7.596 -3.910 2.337
166 HA ASP 26 HA ASP 26 -7.955 -4.239 5.260
167 1HB ASP 26 2HB ASP 26 -5.748 -4.628 3.241
168 2HB ASP 26 1HB ASP 26 -5.396 -4.660 4.968
169 H LYS 27 H LYS 27 -7.358 -1.653 3.131
170 HA LYS 27 HA LYS 27 -6.620 0.555 3.457
171 1HB LYS 27 2HB LYS 27 -8.193 -0.190 5.543
172 2HB LYS 27 1HB LYS 27 -6.713 0.225 6.409
173 1HG LYS 27 2HG LYS 27 -6.727 2.386 4.971
174 2HG LYS 27 1HG LYS 27 -8.415 1.986 4.649
175 1HD LYS 27 2HD LYS 27 -8.759 1.826 7.151
176 2HD LYS 27 1HD LYS 27 -7.134 2.483 7.349
177 1HE LYS 27 2HE LYS 27 -9.026 3.955 5.544
178 2HE LYS 27 1HE LYS 27 -9.240 4.112 7.298
179 1HZ LYS 27 1HZ LYS 27 -7.657 5.750 6.462
180 2HZ LYS 27 2HZ LYS 27 -6.684 4.511 5.827
181 3HZ LYS 27 3HZ LYS 27 -6.893 4.654 7.507
182 H TRP 28 H TRP 28 -4.537 -1.496 3.287
183 HA TRP 28 HA TRP 28 -2.375 0.008 4.648
184 1HB TRP 28 2HB TRP 28 -1.525 -1.934 5.792
185 2HB TRP 28 1HB TRP 28 -3.234 -1.808 6.177
186 HD1 TRP 28 HD1 TRP 28 -3.268 -3.097 2.805
187 HE1 TRP 28 HE1 TRP 28 -3.418 -5.663 2.753
188 HE3 TRP 28 HE3 TRP 28 -2.042 -4.148 7.649
189 HZ2 TRP 28 HZ2 TRP 28 -3.069 -7.875 4.527
190 HZ3 TRP 28 HZ3 TRP 28 -1.961 -6.495 8.440
191 HH2 TRP 28 HH2 TRP 28 -2.473 -8.358 6.886
192 H CYS 29 H CYS 29 -0.223 -1.559 4.065
193 HA CYS 29 HA CYS 29 -0.081 -1.352 1.128
194 1HB CYS 29 2HB CYS 29 1.816 -1.874 3.411
195 2HB CYS 29 1HB CYS 29 2.340 -2.092 1.742
196 H LYS 30 H LYS 30 0.001 -3.093 -0.274
197 HA LYS 30 HA LYS 30 0.227 -5.846 0.869
198 1HB LYS 30 2HB LYS 30 -2.159 -4.658 0.172
199 2HB LYS 30 1HB LYS 30 -1.724 -5.498 -1.318
200 1HG LYS 30 2HG LYS 30 -1.196 -7.504 0.295
201 2HG LYS 30 1HG LYS 30 -2.252 -6.639 1.411
202 1HD LYS 30 2HD LYS 30 -4.119 -6.839 0.005
203 2HD LYS 30 1HD LYS 30 -3.128 -7.139 -1.425
204 1HE LYS 30 2HE LYS 30 -2.649 -9.369 -0.770
205 2HE LYS 30 1HE LYS 30 -3.157 -9.074 0.904
206 1HZ LYS 30 1HZ LYS 30 -4.933 -8.921 -1.478
207 2HZ LYS 30 2HZ LYS 30 -5.402 -8.676 0.137
208 3HZ LYS 30 3HZ LYS 30 -4.890 -10.212 -0.379
209 H VAL 31 H VAL 31 1.360 -7.259 -0.485
210 HA VAL 31 HA VAL 31 3.044 -6.194 -2.536
211 HB VAL 31 HB VAL 31 3.375 -8.242 -1.071
212 1HG1 VAL 31 1HG1 VAL 31 1.730 -9.676 -3.162
213 2HG1 VAL 31 2HG1 VAL 31 1.030 -9.135 -1.637
214 3HG1 VAL 31 3HG1 VAL 31 2.346 -10.308 -1.636
215 1HG2 VAL 31 1HG2 VAL 31 3.686 -8.568 -4.071
216 2HG2 VAL 31 2HG2 VAL 31 4.536 -9.525 -2.858
217 3HG2 VAL 31 3HG2 VAL 31 4.838 -7.792 -2.984
218 H LEU 32 H LEU 32 2.805 -6.095 -4.753
219 HA LEU 32 HA LEU 32 0.112 -6.482 -5.869
220 1HB LEU 32 2HB LEU 32 1.807 -4.569 -6.274
221 2HB LEU 32 1HB LEU 32 2.641 -5.709 -7.331
222 HG LEU 32 HG LEU 32 0.195 -6.051 -8.317
223 1HD1 LEU 32 1HD1 LEU 32 -1.065 -3.934 -8.307
224 2HD1 LEU 32 2HD1 LEU 32 0.139 -3.214 -7.239
225 3HD1 LEU 32 3HD1 LEU 32 -0.867 -4.545 -6.665
226 1HD2 LEU 32 1HD2 LEU 32 0.741 -4.386 -10.032
227 2HD2 LEU 32 2HD2 LEU 32 2.208 -5.232 -9.537
228 3HD2 LEU 32 3HD2 LEU 32 1.883 -3.605 -8.938
229 H LEU 33 H LEU 33 3.347 -7.907 -6.265
230 HA LEU 33 HA LEU 33 2.348 -9.857 -8.257
231 1HB LEU 33 1HB LEU 33 5.036 -9.243 -6.992
232 2HB LEU 33 2HB LEU 33 4.801 -10.534 -8.171
233 HG LEU 33 HG LEU 33 3.552 -8.273 -9.291
234 1HD1 LEU 33 1HD1 LEU 33 4.958 -7.052 -7.495
235 2HD1 LEU 33 2HD1 LEU 33 6.356 -7.522 -8.462
236 3HD1 LEU 33 3HD1 LEU 33 5.106 -6.493 -9.162
237 1HD2 LEU 33 1HD2 LEU 33 4.795 -10.083 -10.462
238 2HD2 LEU 33 2HD2 LEU 33 5.334 -8.482 -10.967
239 3HD2 LEU 33 3HD2 LEU 33 6.308 -9.425 -9.838
240 1HN NH2 34 1HN NH2 34 4.117 -12.139 -5.510
241 2HN NH2 34 2HN NH2 34 4.829 -10.932 -6.603
Start of MODEL 14
1 1H GLU 1 1H GLU 1 11.241 5.361 0.418
2 2H GLU 1 2H GLU 1 12.569 4.716 1.260
3 3H GLU 1 3H GLU 1 12.212 6.372 1.374
4 HA GLU 1 HA GLU 1 11.494 5.215 3.384
5 1HB GLU 1 2HB GLU 1 9.860 6.728 1.474
6 2HB GLU 1 1HB GLU 1 8.883 5.802 2.614
7 1HG GLU 1 2HG GLU 1 9.226 7.783 3.800
8 2HG GLU 1 1HG GLU 1 10.545 6.779 4.402
9 H CYS 2 H CYS 2 10.245 3.533 4.322
10 HA CYS 2 HA CYS 2 9.061 1.525 2.433
11 1HB CYS 2 2HB CYS 2 11.263 0.773 3.109
12 2HB CYS 2 1HB CYS 2 10.923 1.147 4.799
13 H LYS 3 H LYS 3 7.004 0.935 3.035
14 HA LYS 3 HA LYS 3 6.102 1.644 5.808
15 1HB LYS 3 2HB LYS 3 4.973 1.931 3.075
16 2HB LYS 3 1HB LYS 3 3.826 1.481 4.339
17 1HG LYS 3 2HG LYS 3 4.380 3.411 5.652
18 2HG LYS 3 1HG LYS 3 5.767 3.785 4.628
19 1HD LYS 3 2HD LYS 3 4.448 4.597 2.897
20 2HD LYS 3 1HD LYS 3 3.047 3.637 3.377
21 1HE LYS 3 2HE LYS 3 3.103 5.135 5.544
22 2HE LYS 3 1HE LYS 3 4.030 6.244 4.515
23 1HZ LYS 3 1HZ LYS 3 1.388 5.047 3.852
24 2HZ LYS 3 2HZ LYS 3 2.292 6.058 2.828
25 3HZ LYS 3 3HZ LYS 3 1.662 6.663 4.285
26 H GLY 4 H GLY 4 4.574 0.155 6.803
27 1HA GLY 4 2HA GLY 4 5.056 -2.654 5.991
28 2HA GLY 4 1HA GLY 4 4.390 -2.127 7.535
29 H PHE 5 H PHE 5 2.952 -4.069 6.637
30 HA PHE 5 HA PHE 5 0.927 -3.380 4.658
31 1HB PHE 5 2HB PHE 5 1.532 -5.674 4.963
32 2HB PHE 5 1HB PHE 5 1.331 -5.570 6.711
33 HD1 PHE 5 HD1 PHE 5 -0.587 -5.222 3.513
34 HD2 PHE 5 HD2 PHE 5 -0.705 -6.192 7.694
35 HE1 PHE 5 HE1 PHE 5 -2.957 -5.918 3.284
36 HE2 PHE 5 HE2 PHE 5 -3.073 -6.888 7.467
37 HZ PHE 5 HZ PHE 5 -4.200 -6.750 5.261
38 H GLY 6 H GLY 6 -1.174 -2.617 5.045
39 1HA GLY 6 2HA GLY 6 -3.071 -2.002 6.362
40 2HA GLY 6 1HA GLY 6 -2.139 -2.327 7.821
41 H LYS 7 H LYS 7 -0.289 -0.453 5.690
42 HA LYS 7 HA LYS 7 -0.719 1.955 7.364
43 1HB LYS 7 2HB LYS 7 1.538 0.987 6.836
44 2HB LYS 7 1HB LYS 7 1.257 1.355 5.135
45 1HG LYS 7 2HG LYS 7 2.503 3.202 5.927
46 2HG LYS 7 1HG LYS 7 0.837 3.779 5.921
47 1HD LYS 7 2HD LYS 7 0.779 2.915 8.382
48 2HD LYS 7 1HD LYS 7 2.539 2.956 8.265
49 1HE LYS 7 2HE LYS 7 2.353 5.364 7.500
50 2HE LYS 7 1HE LYS 7 0.625 5.286 7.899
51 1HZ LYS 7 1HZ LYS 7 2.854 4.642 9.763
52 2HZ LYS 7 2HZ LYS 7 1.197 4.583 10.135
53 3HZ LYS 7 3HZ LYS 7 1.941 6.071 9.789
54 H SER 8 H SER 8 -1.987 3.625 6.643
55 HA SER 8 HA SER 8 -3.611 3.639 4.379
56 1HB SER 8 2HB SER 8 -3.414 5.196 6.471
57 2HB SER 8 1HB SER 8 -2.365 6.170 5.444
58 HG SER 8 HG SER 8 -4.890 6.364 5.507
59 H CYS 9 H CYS 9 -3.270 3.956 2.206
60 HA CYS 9 HA CYS 9 -1.033 5.586 1.206
61 1HB CYS 9 2HB CYS 9 0.031 3.437 1.749
62 2HB CYS 9 1HB CYS 9 -1.182 2.579 0.799
63 H VAL 10 H VAL 10 -1.262 6.037 -1.069
64 HA VAL 10 HA VAL 10 -3.983 5.461 -2.157
65 HB VAL 10 HB VAL 10 -1.816 7.497 -2.778
66 1HG1 VAL 10 1HG1 VAL 10 -3.611 8.516 -4.264
67 2HG1 VAL 10 2HG1 VAL 10 -4.483 6.990 -4.121
68 3HG1 VAL 10 3HG1 VAL 10 -2.889 7.027 -4.874
69 1HG2 VAL 10 1HG2 VAL 10 -4.603 8.207 -1.972
70 2HG2 VAL 10 2HG2 VAL 10 -3.081 9.009 -1.580
71 3HG2 VAL 10 3HG2 VAL 10 -3.550 7.540 -0.724
72 HA PRO 11 HA PRO 11 -2.032 2.601 -4.962
73 1HB PRO 11 2HB PRO 11 -4.176 2.206 -6.615
74 2HB PRO 11 1HB PRO 11 -4.049 1.470 -5.005
75 1HG PRO 11 2HG PRO 11 -5.589 3.863 -5.873
76 2HG PRO 11 1HG PRO 11 -6.033 2.591 -4.726
77 1HD PRO 11 2HD PRO 11 -5.158 5.059 -3.971
78 2HD PRO 11 1HD PRO 11 -4.939 3.596 -2.986
79 H GLY 12 H GLY 12 -0.813 2.988 -6.801
80 1HA GLY 12 2HA GLY 12 -0.871 3.857 -9.182
81 2HA GLY 12 1HA GLY 12 -1.593 5.321 -8.514
82 H LYS 13 H LYS 13 -0.012 5.712 -6.247
83 HA LYS 13 HA LYS 13 2.511 6.644 -7.486
84 1HB LYS 13 2HB LYS 13 0.913 7.130 -5.002
85 2HB LYS 13 1HB LYS 13 2.635 7.506 -4.953
86 1HG LYS 13 2HG LYS 13 2.211 8.761 -7.183
87 2HG LYS 13 1HG LYS 13 0.506 8.680 -6.737
88 1HD LYS 13 2HD LYS 13 2.431 9.620 -4.655
89 2HD LYS 13 1HD LYS 13 2.059 10.724 -5.979
90 1HE LYS 13 2HE LYS 13 -0.405 10.319 -5.500
91 2HE LYS 13 1HE LYS 13 0.103 9.472 -4.025
92 1HZ LYS 13 1HZ LYS 13 -0.253 11.806 -3.553
93 2HZ LYS 13 2HZ LYS 13 0.826 12.256 -4.785
94 3HZ LYS 13 3HZ LYS 13 1.396 11.440 -3.408
95 H ASN 14 H ASN 14 1.415 4.029 -5.460
96 HA ASN 14 HA ASN 14 2.552 2.248 -4.433
97 1HB ASN 14 2HB ASN 14 4.690 3.289 -6.324
98 2HB ASN 14 1HB ASN 14 4.806 1.764 -5.449
99 1HD2 ASN 14 1HD2 ASN 14 3.566 3.236 -8.303
100 2HD2 ASN 14 2HD2 ASN 14 2.613 1.933 -8.827
101 H GLU 15 H GLU 15 2.401 3.689 -2.466
102 HA GLU 15 HA GLU 15 5.008 4.884 -1.641
103 1HB GLU 15 2HB GLU 15 2.316 5.655 -1.475
104 2HB GLU 15 1HB GLU 15 2.741 5.188 0.172
105 1HG GLU 15 2HG GLU 15 4.618 6.923 -1.407
106 2HG GLU 15 1HG GLU 15 3.203 7.645 -0.637
107 H CYS 16 H CYS 16 4.926 2.037 -1.684
108 HA CYS 16 HA CYS 16 5.034 1.431 1.251
109 1HB CYS 16 2HB CYS 16 3.595 0.098 -1.008
110 2HB CYS 16 1HB CYS 16 4.270 -0.935 0.252
111 H CYS 17 H CYS 17 6.243 -0.847 1.450
112 HA CYS 17 HA CYS 17 8.905 -0.493 0.337
113 1HB CYS 17 2HB CYS 17 7.681 -1.795 2.482
114 2HB CYS 17 1HB CYS 17 8.280 -3.114 1.476
115 H SER 18 H SER 18 10.021 -2.379 -0.815
116 HA SER 18 HA SER 18 8.778 -2.975 -3.316
117 1HB SER 18 2HB SER 18 11.137 -4.038 -1.761
118 2HB SER 18 1HB SER 18 10.720 -4.716 -3.331
119 HG SER 18 HG SER 18 11.193 -2.838 -4.282
120 H GLY 19 H GLY 19 7.228 -4.482 -3.784
121 1HA GLY 19 2HA GLY 19 6.442 -6.802 -3.743
122 2HA GLY 19 1HA GLY 19 7.058 -6.940 -2.097
123 H TYR 20 H TYR 20 5.947 -4.300 -1.302
124 HA TYR 20 HA TYR 20 3.144 -5.192 -0.839
125 1HB TYR 20 2HB TYR 20 4.831 -2.965 0.363
126 2HB TYR 20 1HB TYR 20 3.245 -3.470 0.942
127 HD1 TYR 20 HD1 TYR 20 2.936 -5.670 2.027
128 HD2 TYR 20 HD2 TYR 20 6.811 -4.307 0.771
129 HE1 TYR 20 HE1 TYR 20 4.004 -7.427 3.412
130 HE2 TYR 20 HE2 TYR 20 7.880 -6.065 2.154
131 HH TYR 20 HH TYR 20 6.837 -7.448 4.492
132 H ALA 21 H ALA 21 1.546 -4.306 -2.089
133 HA ALA 21 HA ALA 21 2.078 -1.694 -3.469
134 1HB ALA 21 1HB ALA 21 1.737 -3.743 -4.852
135 2HB ALA 21 2HB ALA 21 0.476 -2.542 -5.131
136 3HB ALA 21 3HB ALA 21 0.146 -3.948 -4.118
137 H CYS 22 H CYS 22 0.344 -0.135 -3.519
138 HA CYS 22 HA CYS 22 -1.402 -0.219 -1.132
139 1HB CYS 22 2HB CYS 22 -0.913 1.890 -3.262
140 2HB CYS 22 1HB CYS 22 -1.778 2.148 -1.746
141 H ASN 23 H ASN 23 -3.653 -0.346 -1.222
142 HA ASN 23 HA ASN 23 -4.853 -0.937 -3.908
143 1HB ASN 23 2HB ASN 23 -4.725 -2.616 -1.925
144 2HB ASN 23 1HB ASN 23 -5.997 -1.633 -1.201
145 1HD2 ASN 23 1HD2 ASN 23 -5.252 -3.329 -4.305
146 2HD2 ASN 23 2HD2 ASN 23 -6.864 -3.753 -4.624
147 H SER 24 H SER 24 -7.173 -0.234 -4.137
148 HA SER 24 HA SER 24 -7.560 2.490 -2.990
149 1HB SER 24 2HB SER 24 -7.655 1.657 -5.511
150 2HB SER 24 1HB SER 24 -9.310 1.235 -5.078
151 HG SER 24 HG SER 24 -9.496 3.302 -5.664
152 H ARG 25 H ARG 25 -8.949 -0.747 -2.910
153 HA ARG 25 HA ARG 25 -11.579 -0.113 -1.964
154 1HB ARG 25 2HB ARG 25 -10.285 -2.337 -2.746
155 2HB ARG 25 1HB ARG 25 -10.130 -2.547 -1.002
156 1HG ARG 25 2HG ARG 25 -12.249 -3.297 -0.927
157 2HG ARG 25 1HG ARG 25 -12.807 -1.725 -1.502
158 1HD ARG 25 2HD ARG 25 -11.681 -3.549 -3.575
159 2HD ARG 25 1HD ARG 25 -13.256 -3.998 -2.891
160 HE ARG 25 HE ARG 25 -12.889 -1.173 -3.731
161 1HH1 ARG 25 2HH1 ARG 25 -15.565 -2.456 -3.137
162 2HH1 ARG 25 1HH1 ARG 25 -16.181 -2.735 -4.732
163 1HH2 ARG 25 1HH2 ARG 25 -13.097 -2.327 -6.282
164 2HH2 ARG 25 2HH2 ARG 25 -14.781 -2.661 -6.517
165 H ASP 26 H ASP 26 -8.610 -0.990 -0.142
166 HA ASP 26 HA ASP 26 -9.885 -0.037 2.382
167 1HB ASP 26 2HB ASP 26 -8.424 -2.252 1.764
168 2HB ASP 26 1HB ASP 26 -7.146 -1.180 2.333
169 H LYS 27 H LYS 27 -7.761 1.077 -0.070
170 HA LYS 27 HA LYS 27 -6.370 2.964 -0.247
171 1HB LYS 27 2HB LYS 27 -8.027 3.694 2.193
172 2HB LYS 27 1HB LYS 27 -7.042 4.832 1.276
173 1HG LYS 27 2HG LYS 27 -8.368 4.144 -0.783
174 2HG LYS 27 1HG LYS 27 -9.463 3.295 0.308
175 1HD LYS 27 2HD LYS 27 -8.764 6.216 0.668
176 2HD LYS 27 1HD LYS 27 -10.132 5.688 -0.312
177 1HE LYS 27 2HE LYS 27 -9.852 4.623 2.491
178 2HE LYS 27 1HE LYS 27 -10.524 6.245 2.234
179 1HZ LYS 27 1HZ LYS 27 -12.285 4.606 2.133
180 2HZ LYS 27 2HZ LYS 27 -11.455 3.734 0.935
181 3HZ LYS 27 3HZ LYS 27 -12.057 5.288 0.597
182 H TRP 28 H TRP 28 -5.141 0.766 1.018
183 HA TRP 28 HA TRP 28 -3.217 2.179 2.774
184 1HB TRP 28 2HB TRP 28 -3.506 0.652 4.601
185 2HB TRP 28 1HB TRP 28 -5.105 1.225 4.154
186 HD1 TRP 28 HD1 TRP 28 -4.424 -1.120 1.519
187 HE1 TRP 28 HE1 TRP 28 -5.323 -3.472 2.054
188 HE3 TRP 28 HE3 TRP 28 -5.212 -0.630 6.533
189 HZ2 TRP 28 HZ2 TRP 28 -6.262 -4.953 4.315
190 HZ3 TRP 28 HZ3 TRP 28 -6.112 -2.525 7.856
191 HH2 TRP 28 HH2 TRP 28 -6.638 -4.682 6.752
192 H CYS 29 H CYS 29 -1.653 0.087 3.574
193 HA CYS 29 HA CYS 29 -0.411 -0.762 1.043
194 1HB CYS 29 2HB CYS 29 0.614 0.120 3.315
195 2HB CYS 29 1HB CYS 29 0.493 -1.574 3.791
196 H LYS 30 H LYS 30 -0.236 -2.912 0.343
197 HA LYS 30 HA LYS 30 -1.533 -5.041 1.989
198 1HB LYS 30 2HB LYS 30 -3.007 -3.831 0.191
199 2HB LYS 30 1HB LYS 30 -2.062 -4.771 -0.964
200 1HG LYS 30 2HG LYS 30 -2.948 -6.430 1.253
201 2HG LYS 30 1HG LYS 30 -4.315 -5.654 0.454
202 1HD LYS 30 2HD LYS 30 -2.164 -6.934 -1.208
203 2HD LYS 30 1HD LYS 30 -3.408 -7.943 -0.469
204 1HE LYS 30 2HE LYS 30 -4.964 -5.967 -1.521
205 2HE LYS 30 1HE LYS 30 -3.642 -6.002 -2.704
206 1HZ LYS 30 1HZ LYS 30 -3.877 -8.395 -2.866
207 2HZ LYS 30 2HZ LYS 30 -5.357 -7.646 -3.231
208 3HZ LYS 30 3HZ LYS 30 -5.126 -8.384 -1.718
209 H VAL 31 H VAL 31 -0.283 -6.877 1.977
210 HA VAL 31 HA VAL 31 2.231 -7.000 0.588
211 HB VAL 31 HB VAL 31 1.617 -8.120 2.748
212 1HG1 VAL 31 1HG1 VAL 31 -0.650 -8.907 1.787
213 2HG1 VAL 31 2HG1 VAL 31 0.229 -10.037 2.816
214 3HG1 VAL 31 3HG1 VAL 31 0.264 -10.231 1.064
215 1HG2 VAL 31 1HG2 VAL 31 2.929 -10.108 2.349
216 2HG2 VAL 31 2HG2 VAL 31 3.560 -8.840 1.298
217 3HG2 VAL 31 3HG2 VAL 31 2.517 -10.099 0.634
218 H LEU 32 H LEU 32 2.757 -7.887 -1.388
219 HA LEU 32 HA LEU 32 0.556 -9.224 -2.934
220 1HB LEU 32 2HB LEU 32 1.601 -6.790 -3.425
221 2HB LEU 32 1HB LEU 32 2.784 -7.770 -4.292
222 HG LEU 32 HG LEU 32 -0.045 -8.517 -4.748
223 1HD1 LEU 32 1HD1 LEU 32 1.107 -5.911 -5.794
224 2HD1 LEU 32 2HD1 LEU 32 -0.253 -6.069 -4.683
225 3HD1 LEU 32 3HD1 LEU 32 -0.398 -6.648 -6.342
226 1HD2 LEU 32 1HD2 LEU 32 0.802 -8.686 -7.072
227 2HD2 LEU 32 2HD2 LEU 32 1.845 -9.559 -5.948
228 3HD2 LEU 32 3HD2 LEU 32 2.334 -7.978 -6.559
229 H LEU 33 H LEU 33 1.185 -11.385 -2.660
230 HA LEU 33 HA LEU 33 3.923 -12.102 -3.665
231 1HB LEU 33 1HB LEU 33 2.364 -12.970 -1.236
232 2HB LEU 33 2HB LEU 33 3.579 -14.042 -1.932
233 HG LEU 33 HG LEU 33 4.248 -11.164 -1.351
234 1HD1 LEU 33 1HD1 LEU 33 3.272 -12.269 0.711
235 2HD1 LEU 33 2HD1 LEU 33 4.584 -13.443 0.618
236 3HD1 LEU 33 3HD1 LEU 33 4.944 -11.736 0.882
237 1HD2 LEU 33 1HD2 LEU 33 5.833 -13.751 -1.483
238 2HD2 LEU 33 2HD2 LEU 33 5.829 -12.466 -2.692
239 3HD2 LEU 33 3HD2 LEU 33 6.520 -12.173 -1.096
240 1HN NH2 34 1HN NH2 34 1.652 -13.397 -6.043
241 2HN NH2 34 2HN NH2 34 2.430 -11.915 -5.446
Start of MODEL 15
1 1H GLU 1 1H GLU 1 9.347 6.653 4.265
2 2H GLU 1 2H GLU 1 9.559 8.025 3.287
3 3H GLU 1 3H GLU 1 10.448 6.611 2.976
4 HA GLU 1 HA GLU 1 7.502 6.936 2.675
5 1HB GLU 1 2HB GLU 1 9.921 7.100 0.943
6 2HB GLU 1 1HB GLU 1 8.522 6.278 0.254
7 1HG GLU 1 2HG GLU 1 7.894 8.394 -0.325
8 2HG GLU 1 1HG GLU 1 7.312 8.456 1.339
9 H CYS 2 H CYS 2 7.568 4.988 4.250
10 HA CYS 2 HA CYS 2 7.576 2.498 2.652
11 1HB CYS 2 2HB CYS 2 9.873 2.598 3.356
12 2HB CYS 2 1HB CYS 2 9.418 3.079 4.990
13 H LYS 3 H LYS 3 5.677 1.522 3.221
14 HA LYS 3 HA LYS 3 4.709 1.801 6.050
15 1HB LYS 3 2HB LYS 3 3.437 2.031 3.366
16 2HB LYS 3 1HB LYS 3 2.479 1.242 4.620
17 1HG LYS 3 2HG LYS 3 3.073 3.240 6.115
18 2HG LYS 3 1HG LYS 3 3.638 4.033 4.644
19 1HD LYS 3 2HD LYS 3 1.118 2.958 3.991
20 2HD LYS 3 1HD LYS 3 0.923 3.674 5.591
21 1HE LYS 3 2HE LYS 3 2.506 5.435 3.917
22 2HE LYS 3 1HE LYS 3 0.962 5.055 3.130
23 1HZ LYS 3 1HZ LYS 3 -0.197 5.584 5.163
24 2HZ LYS 3 2HZ LYS 3 0.758 6.911 4.702
25 3HZ LYS 3 3HZ LYS 3 1.265 5.895 5.967
26 H GLY 4 H GLY 4 4.046 -0.116 7.072
27 1HA GLY 4 2HA GLY 4 5.044 -2.615 5.990
28 2HA GLY 4 1HA GLY 4 4.143 -2.430 7.494
29 H PHE 5 H PHE 5 3.302 -4.571 6.343
30 HA PHE 5 HA PHE 5 1.327 -4.189 4.223
31 1HB PHE 5 2HB PHE 5 2.561 -6.282 4.486
32 2HB PHE 5 1HB PHE 5 1.965 -6.462 6.136
33 HD1 PHE 5 HD1 PHE 5 -0.202 -7.355 6.590
34 HD2 PHE 5 HD2 PHE 5 0.940 -6.402 2.560
35 HE1 PHE 5 HE1 PHE 5 -2.224 -8.513 5.745
36 HE2 PHE 5 HE2 PHE 5 -1.082 -7.563 1.715
37 HZ PHE 5 HZ PHE 5 -2.664 -8.617 3.306
38 H GLY 6 H GLY 6 -0.859 -3.781 4.495
39 1HA GLY 6 2HA GLY 6 -2.946 -3.599 5.603
40 2HA GLY 6 1HA GLY 6 -2.204 -4.288 7.047
41 H LYS 7 H LYS 7 -0.932 -1.493 5.294
42 HA LYS 7 HA LYS 7 -1.476 0.190 7.714
43 1HB LYS 7 2HB LYS 7 0.889 -0.539 6.444
44 2HB LYS 7 1HB LYS 7 0.574 1.075 5.810
45 1HG LYS 7 2HG LYS 7 1.857 1.360 7.816
46 2HG LYS 7 1HG LYS 7 0.201 1.828 8.201
47 1HD LYS 7 2HD LYS 7 -0.197 -0.097 9.456
48 2HD LYS 7 1HD LYS 7 1.060 -1.018 8.630
49 1HE LYS 7 2HE LYS 7 1.755 1.372 10.352
50 2HE LYS 7 1HE LYS 7 1.584 -0.253 11.043
51 1HZ LYS 7 1HZ LYS 7 3.093 -1.019 9.198
52 2HZ LYS 7 2HZ LYS 7 3.832 -0.058 10.389
53 3HZ LYS 7 3HZ LYS 7 3.424 0.615 8.884
54 H SER 8 H SER 8 -2.981 1.766 7.348
55 HA SER 8 HA SER 8 -4.306 2.339 4.948
56 1HB SER 8 2HB SER 8 -3.677 4.010 7.393
57 2HB SER 8 1HB SER 8 -4.778 4.563 6.134
58 HG SER 8 HG SER 8 -6.114 2.853 6.570
59 H CYS 9 H CYS 9 -3.518 3.162 3.053
60 HA CYS 9 HA CYS 9 -1.424 5.299 3.167
61 1HB CYS 9 2HB CYS 9 -0.130 4.134 1.522
62 2HB CYS 9 1HB CYS 9 -0.572 2.922 2.722
63 H VAL 10 H VAL 10 -1.206 6.238 0.796
64 HA VAL 10 HA VAL 10 -3.977 6.802 -0.164
65 HB VAL 10 HB VAL 10 -1.304 8.186 -0.587
66 1HG1 VAL 10 1HG1 VAL 10 -2.836 10.068 -1.388
67 2HG1 VAL 10 2HG1 VAL 10 -4.120 8.861 -1.469
68 3HG1 VAL 10 3HG1 VAL 10 -2.683 8.688 -2.477
69 1HG2 VAL 10 1HG2 VAL 10 -3.599 8.564 1.323
70 2HG2 VAL 10 2HG2 VAL 10 -2.648 9.960 0.818
71 3HG2 VAL 10 3HG2 VAL 10 -1.866 8.614 1.646
72 HA PRO 11 HA PRO 11 -2.765 4.125 -3.587
73 1HB PRO 11 2HB PRO 11 -5.262 4.001 -4.708
74 2HB PRO 11 1HB PRO 11 -4.770 3.005 -3.324
75 1HG PRO 11 2HG PRO 11 -6.400 5.492 -3.382
76 2HG PRO 11 1HG PRO 11 -6.578 4.048 -2.374
77 1HD PRO 11 2HD PRO 11 -5.464 6.379 -1.493
78 2HD PRO 11 1HD PRO 11 -5.063 4.781 -0.827
79 H GLY 12 H GLY 12 -1.655 5.192 -5.181
80 1HA GLY 12 2HA GLY 12 -2.321 6.294 -7.469
81 2HA GLY 12 1HA GLY 12 -2.872 7.609 -6.430
82 H LYS 13 H LYS 13 -0.844 7.611 -4.495
83 HA LYS 13 HA LYS 13 1.456 8.634 -6.105
84 1HB LYS 13 2HB LYS 13 0.152 9.213 -3.488
85 2HB LYS 13 1HB LYS 13 1.893 9.479 -3.578
86 1HG LYS 13 2HG LYS 13 1.280 10.700 -5.840
87 2HG LYS 13 1HG LYS 13 -0.311 10.838 -5.091
88 1HD LYS 13 2HD LYS 13 0.703 12.785 -4.323
89 2HD LYS 13 1HD LYS 13 1.077 11.674 -3.007
90 1HE LYS 13 2HE LYS 13 3.239 12.350 -3.365
91 2HE LYS 13 1HE LYS 13 3.182 11.221 -4.732
92 1HZ LYS 13 1HZ LYS 13 2.500 12.937 -6.188
93 2HZ LYS 13 2HZ LYS 13 3.815 13.567 -5.314
94 3HZ LYS 13 3HZ LYS 13 2.230 14.027 -4.914
95 H ASN 14 H ASN 14 0.782 5.702 -5.002
96 HA ASN 14 HA ASN 14 2.007 3.888 -4.133
97 1HB ASN 14 2HB ASN 14 3.323 4.913 -6.151
98 2HB ASN 14 1HB ASN 14 4.452 5.468 -4.915
99 1HD2 ASN 14 1HD2 ASN 14 5.593 3.802 -3.638
100 2HD2 ASN 14 2HD2 ASN 14 5.684 2.200 -4.192
101 H GLU 15 H GLU 15 1.322 4.698 -1.913
102 HA GLU 15 HA GLU 15 3.543 5.942 -0.350
103 1HB GLU 15 2HB GLU 15 0.630 5.979 -0.365
104 2HB GLU 15 1HB GLU 15 1.251 5.607 1.242
105 1HG GLU 15 2HG GLU 15 2.479 7.854 -0.329
106 2HG GLU 15 1HG GLU 15 0.956 8.117 0.521
107 H CYS 16 H CYS 16 4.080 3.292 -1.071
108 HA CYS 16 HA CYS 16 3.735 1.855 1.541
109 1HB CYS 16 2HB CYS 16 3.463 0.864 -1.311
110 2HB CYS 16 1HB CYS 16 3.626 -0.227 0.065
111 H CYS 17 H CYS 17 5.396 -0.121 1.492
112 HA CYS 17 HA CYS 17 8.067 1.060 1.017
113 1HB CYS 17 2HB CYS 17 6.997 -0.377 3.030
114 2HB CYS 17 1HB CYS 17 7.654 -1.702 2.071
115 H SER 18 H SER 18 9.734 -0.820 0.288
116 HA SER 18 HA SER 18 9.250 -1.365 -2.482
117 1HB SER 18 2HB SER 18 11.441 -1.136 -1.168
118 2HB SER 18 1HB SER 18 11.184 -2.798 -0.642
119 HG SER 18 HG SER 18 12.454 -2.713 -2.528
120 H GLY 19 H GLY 19 7.929 -2.923 -3.322
121 1HA GLY 19 2HA GLY 19 7.352 -5.274 -3.608
122 2HA GLY 19 1HA GLY 19 7.713 -5.535 -1.902
123 H TYR 20 H TYR 20 6.195 -2.983 -1.215
124 HA TYR 20 HA TYR 20 3.484 -4.228 -1.231
125 1HB TYR 20 2HB TYR 20 4.759 -2.006 0.398
126 2HB TYR 20 1HB TYR 20 3.116 -2.601 0.635
127 HD1 TYR 20 HD1 TYR 20 6.649 -3.206 1.225
128 HD2 TYR 20 HD2 TYR 20 2.745 -4.995 1.322
129 HE1 TYR 20 HE1 TYR 20 7.522 -5.033 2.656
130 HE2 TYR 20 HE2 TYR 20 3.618 -6.822 2.753
131 HH TYR 20 HH TYR 20 6.554 -7.699 3.030
132 H ALA 21 H ALA 21 1.635 -2.943 -1.797
133 HA ALA 21 HA ALA 21 2.126 -0.316 -3.124
134 1HB ALA 21 1HB ALA 21 2.278 -1.675 -5.010
135 2HB ALA 21 2HB ALA 21 0.537 -1.398 -4.963
136 3HB ALA 21 3HB ALA 21 1.209 -2.903 -4.334
137 H CYS 22 H CYS 22 0.272 1.035 -3.080
138 HA CYS 22 HA CYS 22 -1.686 0.578 -1.033
139 1HB CYS 22 2HB CYS 22 -1.289 2.517 -3.301
140 2HB CYS 22 1HB CYS 22 -2.769 2.578 -2.344
141 H ASN 23 H ASN 23 -3.530 -0.651 -1.137
142 HA ASN 23 HA ASN 23 -4.479 -1.588 -3.811
143 1HB ASN 23 2HB ASN 23 -3.831 -2.997 -1.653
144 2HB ASN 23 1HB ASN 23 -5.483 -2.608 -1.174
145 1HD2 ASN 23 1HD2 ASN 23 -3.530 -4.417 -3.500
146 2HD2 ASN 23 2HD2 ASN 23 -4.824 -5.262 -4.202
147 H SER 24 H SER 24 -6.876 -1.719 -4.104
148 HA SER 24 HA SER 24 -8.193 0.755 -3.130
149 1HB SER 24 2HB SER 24 -8.086 -0.007 -5.545
150 2HB SER 24 1HB SER 24 -9.148 -1.342 -5.102
151 HG SER 24 HG SER 24 -10.773 0.007 -4.941
152 H ARG 25 H ARG 25 -8.267 -2.681 -2.526
153 HA ARG 25 HA ARG 25 -10.960 -3.033 -1.659
154 1HB ARG 25 2HB ARG 25 -8.456 -4.433 -1.680
155 2HB ARG 25 1HB ARG 25 -9.166 -4.595 -0.075
156 1HG ARG 25 2HG ARG 25 -10.549 -6.165 -0.900
157 2HG ARG 25 1HG ARG 25 -11.300 -4.920 -1.898
158 1HD ARG 25 2HD ARG 25 -8.991 -5.473 -3.314
159 2HD ARG 25 1HD ARG 25 -9.453 -7.069 -2.689
160 HE ARG 25 HE ARG 25 -11.075 -5.392 -4.507
161 1HH1 ARG 25 1HH2 ARG 25 -10.613 -8.260 -5.080
162 2HH1 ARG 25 2HH2 ARG 25 -12.083 -9.003 -4.546
163 1HH2 ARG 25 2HH1 ARG 25 -13.084 -6.271 -2.646
164 2HH2 ARG 25 1HH1 ARG 25 -13.486 -7.874 -3.165
165 H ASP 26 H ASP 26 -8.045 -2.344 0.336
166 HA ASP 26 HA ASP 26 -9.880 -1.223 2.437
167 1HB ASP 26 2HB ASP 26 -7.401 -2.929 2.509
168 2HB ASP 26 1HB ASP 26 -7.845 -1.956 3.911
169 H LYS 27 H LYS 27 -7.856 -0.159 0.097
170 HA LYS 27 HA LYS 27 -6.521 1.764 -0.189
171 1HB LYS 27 2HB LYS 27 -8.742 2.293 1.505
172 2HB LYS 27 1HB LYS 27 -7.369 3.168 2.184
173 1HG LYS 27 2HG LYS 27 -6.914 4.187 -0.009
174 2HG LYS 27 1HG LYS 27 -8.262 3.294 -0.712
175 1HD LYS 27 2HD LYS 27 -9.412 5.212 -0.227
176 2HD LYS 27 1HD LYS 27 -9.532 4.471 1.369
177 1HE LYS 27 2HE LYS 27 -7.633 5.735 2.182
178 2HE LYS 27 1HE LYS 27 -7.283 6.344 0.552
179 1HZ LYS 27 1HZ LYS 27 -8.621 7.896 1.956
180 2HZ LYS 27 2HZ LYS 27 -9.879 6.754 1.939
181 3HZ LYS 27 3HZ LYS 27 -9.360 7.473 0.489
182 H TRP 28 H TRP 28 -5.210 -0.367 1.156
183 HA TRP 28 HA TRP 28 -3.418 1.167 2.999
184 1HB TRP 28 2HB TRP 28 -3.288 -0.864 4.408
185 2HB TRP 28 1HB TRP 28 -4.935 -0.266 4.289
186 HD1 TRP 28 HD1 TRP 28 -4.035 -2.010 1.141
187 HE1 TRP 28 HE1 TRP 28 -5.027 -4.383 1.112
188 HE3 TRP 28 HE3 TRP 28 -5.409 -2.443 6.036
189 HZ2 TRP 28 HZ2 TRP 28 -6.244 -6.227 2.925
190 HZ3 TRP 28 HZ3 TRP 28 -6.483 -4.519 6.859
191 HH2 TRP 28 HH2 TRP 28 -6.903 -6.410 5.311
192 H CYS 29 H CYS 29 -1.392 -0.547 3.405
193 HA CYS 29 HA CYS 29 -0.219 -0.833 0.708
194 1HB CYS 29 2HB CYS 29 0.742 -0.906 3.562
195 2HB CYS 29 1HB CYS 29 1.790 -1.471 2.261
196 H LYS 30 H LYS 30 -0.757 -2.712 -0.321
197 HA LYS 30 HA LYS 30 -0.763 -5.268 1.247
198 1HB LYS 30 2HB LYS 30 -2.786 -4.278 -0.122
199 2HB LYS 30 1HB LYS 30 -1.897 -4.888 -1.518
200 1HG LYS 30 2HG LYS 30 -1.737 -7.100 -0.126
201 2HG LYS 30 1HG LYS 30 -3.093 -6.422 0.775
202 1HD LYS 30 2HD LYS 30 -3.754 -6.002 -1.915
203 2HD LYS 30 1HD LYS 30 -3.067 -7.626 -1.872
204 1HE LYS 30 2HE LYS 30 -4.760 -8.455 -0.527
205 2HE LYS 30 1HE LYS 30 -5.024 -6.895 0.276
206 1HZ LYS 30 1HZ LYS 30 -5.663 -7.471 -2.571
207 2HZ LYS 30 2HZ LYS 30 -5.964 -6.016 -1.747
208 3HZ LYS 30 3HZ LYS 30 -6.803 -7.428 -1.316
209 H VAL 31 H VAL 31 0.268 -7.133 0.170
210 HA VAL 31 HA VAL 31 2.834 -6.590 -0.962
211 HB VAL 31 HB VAL 31 1.105 -9.087 -1.132
212 1HG1 VAL 31 1HG1 VAL 31 2.948 -9.400 -2.596
213 2HG1 VAL 31 2HG1 VAL 31 3.457 -10.155 -1.085
214 3HG1 VAL 31 3HG1 VAL 31 4.055 -8.552 -1.515
215 1HG2 VAL 31 1HG2 VAL 31 1.255 -8.687 1.166
216 2HG2 VAL 31 2HG2 VAL 31 2.822 -7.888 1.026
217 3HG2 VAL 31 3HG2 VAL 31 2.711 -9.643 0.892
218 H LEU 32 H LEU 32 3.580 -6.857 -3.153
219 HA LEU 32 HA LEU 32 1.989 -5.747 -5.216
220 1HB LEU 32 2HB LEU 32 4.568 -6.180 -4.908
221 2HB LEU 32 1HB LEU 32 4.221 -7.685 -5.758
222 HG LEU 32 HG LEU 32 2.966 -6.129 -7.454
223 1HD1 LEU 32 1HD1 LEU 32 3.494 -3.876 -7.465
224 2HD1 LEU 32 2HD1 LEU 32 5.031 -4.123 -6.637
225 3HD1 LEU 32 3HD1 LEU 32 3.521 -4.175 -5.727
226 1HD2 LEU 32 1HD2 LEU 32 5.761 -6.943 -7.162
227 2HD2 LEU 32 2HD2 LEU 32 5.585 -5.515 -8.181
228 3HD2 LEU 32 3HD2 LEU 32 4.723 -6.999 -8.586
229 H LEU 33 H LEU 33 2.881 -9.181 -4.745
230 HA LEU 33 HA LEU 33 0.289 -10.007 -5.932
231 1HB LEU 33 1HB LEU 33 1.447 -11.414 -7.606
232 2HB LEU 33 2HB LEU 33 1.854 -9.713 -7.819
233 HG LEU 33 HG LEU 33 3.724 -10.795 -5.965
234 1HD1 LEU 33 1HD1 LEU 33 3.252 -12.508 -8.417
235 2HD1 LEU 33 2HD1 LEU 33 4.764 -12.521 -7.510
236 3HD1 LEU 33 3HD1 LEU 33 3.265 -13.027 -6.732
237 1HD2 LEU 33 1HD2 LEU 33 3.684 -9.100 -8.145
238 2HD2 LEU 33 2HD2 LEU 33 5.139 -9.614 -7.292
239 3HD2 LEU 33 3HD2 LEU 33 4.621 -10.466 -8.747
240 1HN NH2 34 1HN NH2 34 0.315 -12.181 -3.356
241 2HN NH2 34 2HN NH2 34 -0.313 -10.746 -4.195
Start of MODEL 16
1 1H GLU 1 1H GLU 1 9.817 7.725 4.441
2 2H GLU 1 2H GLU 1 8.936 9.137 4.780
3 3H GLU 1 3H GLU 1 8.775 8.373 3.270
4 HA GLU 1 HA GLU 1 7.901 7.270 5.897
5 1HB GLU 1 2HB GLU 1 6.763 9.033 3.903
6 2HB GLU 1 1HB GLU 1 5.825 7.543 3.987
7 1HG GLU 1 2HG GLU 1 4.822 8.839 5.657
8 2HG GLU 1 1HG GLU 1 5.987 7.891 6.580
9 H CYS 2 H CYS 2 7.451 5.084 5.868
10 HA CYS 2 HA CYS 2 7.308 3.654 3.248
11 1HB CYS 2 2HB CYS 2 9.613 3.477 3.835
12 2HB CYS 2 1HB CYS 2 9.239 3.232 5.540
13 H LYS 3 H LYS 3 5.531 2.334 3.312
14 HA LYS 3 HA LYS 3 4.397 1.566 5.970
15 1HB LYS 3 2HB LYS 3 3.377 2.017 3.187
16 2HB LYS 3 1HB LYS 3 2.482 0.912 4.229
17 1HG LYS 3 2HG LYS 3 1.680 2.598 5.508
18 2HG LYS 3 1HG LYS 3 3.254 3.389 5.594
19 1HD LYS 3 2HD LYS 3 2.897 4.620 3.650
20 2HD LYS 3 1HD LYS 3 1.722 3.468 3.014
21 1HE LYS 3 2HE LYS 3 0.030 4.215 4.575
22 2HE LYS 3 1HE LYS 3 1.208 5.213 5.449
23 1HZ LYS 3 1HZ LYS 3 -0.127 6.463 3.779
24 2HZ LYS 3 2HZ LYS 3 0.595 5.529 2.558
25 3HZ LYS 3 3HZ LYS 3 1.547 6.553 3.524
26 H GLY 4 H GLY 4 3.570 -0.677 6.177
27 1HA GLY 4 2HA GLY 4 5.246 -2.615 4.634
28 2HA GLY 4 1HA GLY 4 4.667 -2.890 6.277
29 H PHE 5 H PHE 5 3.753 -4.921 5.405
30 HA PHE 5 HA PHE 5 1.587 -4.800 3.440
31 1HB PHE 5 2HB PHE 5 3.195 -6.709 3.848
32 2HB PHE 5 1HB PHE 5 2.371 -7.001 5.378
33 HD1 PHE 5 HD1 PHE 5 -0.082 -7.593 5.375
34 HD2 PHE 5 HD2 PHE 5 2.256 -7.433 1.774
35 HE1 PHE 5 HE1 PHE 5 -1.810 -8.921 4.194
36 HE2 PHE 5 HE2 PHE 5 0.526 -8.762 0.594
37 HZ PHE 5 HZ PHE 5 -1.507 -9.505 1.803
38 H GLY 6 H GLY 6 -0.612 -4.672 3.882
39 1HA GLY 6 2HA GLY 6 -2.607 -4.561 5.125
40 2HA GLY 6 1HA GLY 6 -1.739 -5.261 6.492
41 H LYS 7 H LYS 7 -0.559 -2.351 4.904
42 HA LYS 7 HA LYS 7 -1.169 -0.824 7.404
43 1HB LYS 7 2HB LYS 7 1.203 -1.311 6.320
44 2HB LYS 7 1HB LYS 7 0.765 0.045 5.279
45 1HG LYS 7 2HG LYS 7 1.874 1.079 7.081
46 2HG LYS 7 1HG LYS 7 0.168 1.272 7.484
47 1HD LYS 7 2HD LYS 7 0.637 0.277 9.454
48 2HD LYS 7 1HD LYS 7 0.832 -1.222 8.546
49 1HE LYS 7 2HE LYS 7 2.911 -1.093 9.609
50 2HE LYS 7 1HE LYS 7 3.274 -0.225 8.105
51 1HZ LYS 7 1HZ LYS 7 2.339 1.020 10.640
52 2HZ LYS 7 2HZ LYS 7 2.666 1.850 9.193
53 3HZ LYS 7 3HZ LYS 7 3.923 1.083 10.040
54 H SER 8 H SER 8 -2.943 0.478 7.161
55 HA SER 8 HA SER 8 -4.303 1.173 4.814
56 1HB SER 8 2HB SER 8 -4.784 1.523 7.369
57 2HB SER 8 1HB SER 8 -4.021 3.092 7.122
58 HG SER 8 HG SER 8 -6.463 2.661 6.728
59 H CYS 9 H CYS 9 -3.652 2.360 3.071
60 HA CYS 9 HA CYS 9 -1.836 4.700 3.504
61 1HB CYS 9 2HB CYS 9 -0.477 3.952 1.632
62 2HB CYS 9 1HB CYS 9 -0.626 2.612 2.767
63 H VAL 10 H VAL 10 -1.682 5.748 1.048
64 HA VAL 10 HA VAL 10 -4.536 6.128 0.194
65 HB VAL 10 HB VAL 10 -2.142 8.002 0.100
66 1HG1 VAL 10 1HG1 VAL 10 -3.815 8.414 -1.685
67 2HG1 VAL 10 2HG1 VAL 10 -3.803 9.718 -0.497
68 3HG1 VAL 10 3HG1 VAL 10 -5.083 8.505 -0.462
69 1HG2 VAL 10 1HG2 VAL 10 -4.401 7.603 2.046
70 2HG2 VAL 10 2HG2 VAL 10 -3.740 9.221 1.809
71 3HG2 VAL 10 3HG2 VAL 10 -2.695 7.915 2.371
72 HA PRO 11 HA PRO 11 -2.733 4.298 -3.528
73 1HB PRO 11 2HB PRO 11 -5.132 3.842 -4.773
74 2HB PRO 11 1HB PRO 11 -4.461 2.758 -3.538
75 1HG PRO 11 2HG PRO 11 -6.576 4.834 -3.288
76 2HG PRO 11 1HG PRO 11 -6.462 3.239 -2.528
77 1HD PRO 11 2HD PRO 11 -5.877 5.571 -1.235
78 2HD PRO 11 1HD PRO 11 -5.150 4.004 -0.815
79 H GLY 12 H GLY 12 -2.419 5.183 -5.637
80 1HA GLY 12 2HA GLY 12 -3.023 6.691 -7.461
81 2HA GLY 12 1HA GLY 12 -3.926 7.671 -6.307
82 H LYS 13 H LYS 13 -2.101 8.030 -4.267
83 HA LYS 13 HA LYS 13 -0.151 9.860 -5.537
84 1HB LYS 13 2HB LYS 13 -1.512 9.482 -2.947
85 2HB LYS 13 1HB LYS 13 0.165 10.008 -2.797
86 1HG LYS 13 2HG LYS 13 -0.855 12.069 -3.027
87 2HG LYS 13 1HG LYS 13 -0.569 11.698 -4.727
88 1HD LYS 13 2HD LYS 13 -2.782 11.805 -5.109
89 2HD LYS 13 1HD LYS 13 -3.027 10.458 -3.999
90 1HE LYS 13 2HE LYS 13 -4.311 12.100 -2.948
91 2HE LYS 13 1HE LYS 13 -2.746 12.390 -2.165
92 1HZ LYS 13 1HZ LYS 13 -2.218 14.003 -3.889
93 2HZ LYS 13 2HZ LYS 13 -3.653 14.441 -3.092
94 3HZ LYS 13 3HZ LYS 13 -3.718 13.734 -4.635
95 H ASN 14 H ASN 14 -0.156 6.620 -4.485
96 HA ASN 14 HA ASN 14 1.553 5.061 -4.075
97 1HB ASN 14 2HB ASN 14 2.294 6.849 -6.126
98 2HB ASN 14 1HB ASN 14 3.732 6.671 -5.121
99 1HD2 ASN 14 1HD2 ASN 14 4.897 4.708 -5.293
100 2HD2 ASN 14 2HD2 ASN 14 4.373 3.377 -6.207
101 H GLU 15 H GLU 15 1.163 5.839 -1.730
102 HA GLU 15 HA GLU 15 3.560 7.259 -0.629
103 1HB GLU 15 2HB GLU 15 0.788 6.698 0.482
104 2HB GLU 15 1HB GLU 15 2.044 7.606 1.325
105 1HG GLU 15 2HG GLU 15 1.917 8.808 -1.196
106 2HG GLU 15 1HG GLU 15 0.233 8.486 -0.787
107 H CYS 16 H CYS 16 3.267 4.278 -1.404
108 HA CYS 16 HA CYS 16 3.667 3.029 1.284
109 1HB CYS 16 2HB CYS 16 1.969 2.260 -0.520
110 2HB CYS 16 1HB CYS 16 3.375 1.643 -1.385
111 H CYS 17 H CYS 17 5.427 1.316 1.334
112 HA CYS 17 HA CYS 17 7.977 2.398 0.532
113 1HB CYS 17 2HB CYS 17 6.984 0.530 2.318
114 2HB CYS 17 1HB CYS 17 7.844 -0.475 1.153
115 H SER 18 H SER 18 9.528 1.372 -0.949
116 HA SER 18 HA SER 18 8.473 0.739 -3.532
117 1HB SER 18 2HB SER 18 10.871 0.138 -3.983
118 2HB SER 18 1HB SER 18 10.693 1.687 -3.166
119 HG SER 18 HG SER 18 12.114 -0.363 -2.388
120 H GLY 19 H GLY 19 7.330 -1.097 -3.966
121 1HA GLY 19 2HA GLY 19 7.788 -3.588 -4.371
122 2HA GLY 19 1HA GLY 19 8.179 -3.648 -2.652
123 H TYR 20 H TYR 20 6.128 -1.939 -1.681
124 HA TYR 20 HA TYR 20 3.754 -3.714 -2.067
125 1HB TYR 20 2HB TYR 20 4.578 -1.742 0.095
126 2HB TYR 20 1HB TYR 20 3.085 -2.678 0.128
127 HD1 TYR 20 HD1 TYR 20 6.696 -2.741 0.612
128 HD2 TYR 20 HD2 TYR 20 3.174 -5.176 0.258
129 HE1 TYR 20 HE1 TYR 20 7.927 -4.665 1.577
130 HE2 TYR 20 HE2 TYR 20 4.405 -7.099 1.223
131 HH TYR 20 HH TYR 20 6.922 -6.990 2.953
132 H ALA 21 H ALA 21 1.960 -2.902 -3.085
133 HA ALA 21 HA ALA 21 1.885 0.032 -3.704
134 1HB ALA 21 1HB ALA 21 1.155 -2.505 -5.083
135 2HB ALA 21 2HB ALA 21 1.831 -1.020 -5.752
136 3HB ALA 21 3HB ALA 21 0.107 -1.121 -5.392
137 H CYS 22 H CYS 22 -0.119 1.162 -3.418
138 HA CYS 22 HA CYS 22 -1.743 0.332 -1.171
139 1HB CYS 22 2HB CYS 22 -1.756 2.546 -3.214
140 2HB CYS 22 1HB CYS 22 -3.121 2.365 -2.113
141 H ASN 23 H ASN 23 -3.218 -1.304 -1.341
142 HA ASN 23 HA ASN 23 -4.485 -1.934 -3.939
143 1HB ASN 23 2HB ASN 23 -3.638 -3.331 -1.643
144 2HB ASN 23 1HB ASN 23 -5.398 -3.455 -1.638
145 1HD2 ASN 23 1HD2 ASN 23 -2.511 -4.074 -3.668
146 2HD2 ASN 23 2HD2 ASN 23 -3.262 -5.228 -4.661
147 H SER 24 H SER 24 -6.724 -1.798 -4.315
148 HA SER 24 HA SER 24 -8.180 0.232 -2.786
149 1HB SER 24 2HB SER 24 -8.110 -0.482 -5.369
150 2HB SER 24 1HB SER 24 -9.457 -1.498 -4.866
151 HG SER 24 HG SER 24 -10.644 0.234 -4.539
152 H ARG 25 H ARG 25 -7.981 -3.252 -2.744
153 HA ARG 25 HA ARG 25 -10.526 -4.065 -1.860
154 1HB ARG 25 2HB ARG 25 -8.286 -5.331 -2.365
155 2HB ARG 25 1HB ARG 25 -7.971 -5.111 -0.643
156 1HG ARG 25 2HG ARG 25 -9.998 -6.291 -0.052
157 2HG ARG 25 1HG ARG 25 -10.512 -6.350 -1.737
158 1HD ARG 25 2HD ARG 25 -8.001 -7.692 -0.658
159 2HD ARG 25 1HD ARG 25 -9.529 -8.526 -1.004
160 HE ARG 25 HE ARG 25 -7.726 -7.312 -3.030
161 1HH1 ARG 25 2HH1 ARG 25 -10.989 -8.213 -2.453
162 2HH1 ARG 25 1HH1 ARG 25 -11.183 -9.017 -3.972
163 1HH2 ARG 25 1HH2 ARG 25 -7.862 -8.659 -4.912
164 2HH2 ARG 25 2HH2 ARG 25 -9.420 -9.269 -5.362
165 H ASP 26 H ASP 26 -7.767 -3.074 0.233
166 HA ASP 26 HA ASP 26 -9.772 -2.267 2.319
167 1HB ASP 26 2HB ASP 26 -7.805 -4.360 2.316
168 2HB ASP 26 1HB ASP 26 -7.328 -3.151 3.508
169 H LYS 27 H LYS 27 -8.297 -0.627 0.304
170 HA LYS 27 HA LYS 27 -6.794 1.194 0.141
171 1HB LYS 27 2HB LYS 27 -7.644 2.974 1.465
172 2HB LYS 27 1HB LYS 27 -8.994 1.862 1.273
173 1HG LYS 27 2HG LYS 27 -7.426 1.169 3.618
174 2HG LYS 27 1HG LYS 27 -7.948 2.848 3.688
175 1HD LYS 27 2HD LYS 27 -10.200 1.508 2.751
176 2HD LYS 27 1HD LYS 27 -9.530 0.405 3.953
177 1HE LYS 27 2HE LYS 27 -9.505 2.204 5.633
178 2HE LYS 27 1HE LYS 27 -10.125 3.351 4.427
179 1HZ LYS 27 1HZ LYS 27 -12.022 1.835 4.081
180 2HZ LYS 27 2HZ LYS 27 -11.967 2.455 5.663
181 3HZ LYS 27 3HZ LYS 27 -11.462 0.861 5.355
182 H TRP 28 H TRP 28 -5.355 -0.981 1.188
183 HA TRP 28 HA TRP 28 -3.547 0.415 3.123
184 1HB TRP 28 2HB TRP 28 -3.214 -1.767 4.230
185 2HB TRP 28 1HB TRP 28 -4.904 -1.288 4.259
186 HD1 TRP 28 HD1 TRP 28 -4.010 -2.536 0.875
187 HE1 TRP 28 HE1 TRP 28 -4.845 -4.950 0.564
188 HE3 TRP 28 HE3 TRP 28 -5.171 -3.695 5.707
189 HZ2 TRP 28 HZ2 TRP 28 -5.868 -7.092 2.148
190 HZ3 TRP 28 HZ3 TRP 28 -6.076 -5.932 6.277
191 HH2 TRP 28 HH2 TRP 28 -6.426 -7.631 4.504
192 H CYS 29 H CYS 29 -1.436 -1.272 3.194
193 HA CYS 29 HA CYS 29 -0.392 -1.107 0.419
194 1HB CYS 29 2HB CYS 29 0.669 -1.180 3.209
195 2HB CYS 29 1HB CYS 29 1.725 -1.766 1.924
196 H LYS 30 H LYS 30 -0.351 -2.920 -0.816
197 HA LYS 30 HA LYS 30 -0.231 -5.597 0.542
198 1HB LYS 30 2HB LYS 30 -2.222 -4.530 -1.035
199 2HB LYS 30 1HB LYS 30 -1.264 -5.418 -2.220
200 1HG LYS 30 2HG LYS 30 -1.465 -7.105 0.039
201 2HG LYS 30 1HG LYS 30 -3.080 -6.449 -0.225
202 1HD LYS 30 2HD LYS 30 -2.671 -7.036 -2.725
203 2HD LYS 30 1HD LYS 30 -1.376 -8.066 -2.113
204 1HE LYS 30 2HE LYS 30 -3.063 -9.621 -1.944
205 2HE LYS 30 1HE LYS 30 -3.426 -8.767 -0.432
206 1HZ LYS 30 1HZ LYS 30 -5.382 -8.894 -1.875
207 2HZ LYS 30 2HZ LYS 30 -4.539 -8.081 -3.106
208 3HZ LYS 30 3HZ LYS 30 -4.892 -7.286 -1.646
209 H VAL 31 H VAL 31 1.074 -7.207 -0.547
210 HA VAL 31 HA VAL 31 3.485 -6.170 -1.800
211 HB VAL 31 HB VAL 31 3.243 -8.158 -0.241
212 1HG1 VAL 31 1HG1 VAL 31 2.402 -10.234 -1.056
213 2HG1 VAL 31 2HG1 VAL 31 2.337 -9.642 -2.716
214 3HG1 VAL 31 3HG1 VAL 31 1.198 -9.031 -1.517
215 1HG2 VAL 31 1HG2 VAL 31 5.070 -9.287 -1.191
216 2HG2 VAL 31 2HG2 VAL 31 5.170 -7.696 -1.947
217 3HG2 VAL 31 3HG2 VAL 31 4.481 -9.055 -2.837
218 H LEU 32 H LEU 32 4.203 -6.619 -3.982
219 HA LEU 32 HA LEU 32 2.140 -6.429 -6.011
220 1HB LEU 32 2HB LEU 32 5.078 -6.398 -5.772
221 2HB LEU 32 1HB LEU 32 4.503 -7.072 -7.296
222 HG LEU 32 HG LEU 32 3.100 -4.619 -6.437
223 1HD1 LEU 32 1HD1 LEU 32 4.930 -3.373 -6.020
224 2HD1 LEU 32 2HD1 LEU 32 5.427 -3.643 -7.691
225 3HD1 LEU 32 3HD1 LEU 32 5.996 -4.721 -6.417
226 1HD2 LEU 32 1HD2 LEU 32 3.199 -4.141 -8.788
227 2HD2 LEU 32 2HD2 LEU 32 2.900 -5.874 -8.651
228 3HD2 LEU 32 3HD2 LEU 32 4.519 -5.286 -9.030
229 H LEU 33 H LEU 33 0.926 -8.163 -6.664
230 HA LEU 33 HA LEU 33 2.085 -10.912 -6.478
231 1HB LEU 33 1HB LEU 33 -0.659 -9.683 -6.537
232 2HB LEU 33 2HB LEU 33 -0.464 -11.374 -6.997
233 HG LEU 33 HG LEU 33 1.067 -10.984 -4.634
234 1HD1 LEU 33 1HD1 LEU 33 -0.580 -8.947 -4.517
235 2HD1 LEU 33 2HD1 LEU 33 -1.784 -10.172 -4.119
236 3HD1 LEU 33 3HD1 LEU 33 -0.366 -9.961 -3.091
237 1HD2 LEU 33 1HD2 LEU 33 -0.553 -12.890 -5.692
238 2HD2 LEU 33 2HD2 LEU 33 -0.050 -12.885 -4.002
239 3HD2 LEU 33 3HD2 LEU 33 -1.625 -12.234 -4.455
240 1HN NH2 34 1HN NH2 34 2.915 -10.895 -9.774
241 2HN NH2 34 2HN NH2 34 3.372 -10.821 -8.058
Start of MODEL 17
1 1H GLU 1 1H GLU 1 10.348 7.056 1.295
2 2H GLU 1 2H GLU 1 10.260 8.459 2.249
3 3H GLU 1 3H GLU 1 8.876 7.887 1.445
4 HA GLU 1 HA GLU 1 10.283 6.585 3.723
5 1HB GLU 1 2HB GLU 1 8.854 8.578 4.167
6 2HB GLU 1 1HB GLU 1 7.511 7.772 3.357
7 1HG GLU 1 2HG GLU 1 7.023 6.576 5.202
8 2HG GLU 1 1HG GLU 1 8.693 6.033 5.357
9 H CYS 2 H CYS 2 10.036 4.390 3.778
10 HA CYS 2 HA CYS 2 8.358 3.043 1.756
11 1HB CYS 2 2HB CYS 2 10.670 2.495 3.445
12 2HB CYS 2 1HB CYS 2 9.508 1.170 3.502
13 H LYS 3 H LYS 3 6.440 1.968 2.209
14 HA LYS 3 HA LYS 3 5.293 2.333 4.934
15 1HB LYS 3 2HB LYS 3 4.175 1.603 2.212
16 2HB LYS 3 1HB LYS 3 3.191 1.658 3.675
17 1HG LYS 3 2HG LYS 3 4.873 4.048 3.216
18 2HG LYS 3 1HG LYS 3 3.591 3.801 2.033
19 1HD LYS 3 2HD LYS 3 2.184 3.308 4.270
20 2HD LYS 3 1HD LYS 3 3.392 4.404 4.942
21 1HE LYS 3 2HE LYS 3 1.787 5.047 2.444
22 2HE LYS 3 1HE LYS 3 1.317 5.573 4.072
23 1HZ LYS 3 1HZ LYS 3 3.850 6.184 2.645
24 2HZ LYS 3 2HZ LYS 3 3.616 6.484 4.301
25 3HZ LYS 3 3HZ LYS 3 2.662 7.285 3.147
26 H GLY 4 H GLY 4 4.579 0.557 6.174
27 1HA GLY 4 2HA GLY 4 5.805 -2.039 5.498
28 2HA GLY 4 1HA GLY 4 5.031 -1.623 7.028
29 H PHE 5 H PHE 5 3.139 -2.653 7.371
30 HA PHE 5 HA PHE 5 1.359 -3.236 5.034
31 1HB PHE 5 2HB PHE 5 2.734 -5.211 5.590
32 2HB PHE 5 1HB PHE 5 2.206 -5.115 7.269
33 HD1 PHE 5 HD1 PHE 5 0.502 -6.564 7.889
34 HD2 PHE 5 HD2 PHE 5 0.633 -5.109 3.849
35 HE1 PHE 5 HE1 PHE 5 -1.506 -7.910 7.339
36 HE2 PHE 5 HE2 PHE 5 -1.375 -6.456 3.300
37 HZ PHE 5 HZ PHE 5 -2.445 -7.857 5.044
38 H GLY 6 H GLY 6 -0.684 -2.501 5.462
39 1HA GLY 6 2HA GLY 6 -2.676 -2.182 6.723
40 2HA GLY 6 1HA GLY 6 -1.817 -2.705 8.171
41 H LYS 7 H LYS 7 -1.018 -0.110 5.850
42 HA LYS 7 HA LYS 7 -1.337 1.882 8.068
43 1HB LYS 7 2HB LYS 7 1.039 0.987 6.608
44 2HB LYS 7 1HB LYS 7 0.816 2.734 6.508
45 1HG LYS 7 2HG LYS 7 0.618 1.254 9.136
46 2HG LYS 7 1HG LYS 7 2.157 1.856 8.520
47 1HD LYS 7 2HD LYS 7 1.361 4.127 8.514
48 2HD LYS 7 1HD LYS 7 -0.292 3.608 8.841
49 1HE LYS 7 2HE LYS 7 0.409 4.237 10.986
50 2HE LYS 7 1HE LYS 7 0.830 2.514 10.996
51 1HZ LYS 7 1HZ LYS 7 2.703 3.956 11.661
52 2HZ LYS 7 2HZ LYS 7 2.660 4.693 10.131
53 3HZ LYS 7 3HZ LYS 7 3.045 3.044 10.273
54 H SER 8 H SER 8 -2.358 3.745 7.414
55 HA SER 8 HA SER 8 -3.938 4.027 5.178
56 1HB SER 8 2HB SER 8 -3.737 6.488 5.625
57 2HB SER 8 1HB SER 8 -3.968 5.534 7.086
58 HG SER 8 HG SER 8 -1.781 6.990 6.215
59 H CYS 9 H CYS 9 -3.535 4.106 3.018
60 HA CYS 9 HA CYS 9 -1.076 5.477 2.017
61 1HB CYS 9 2HB CYS 9 -0.400 3.194 2.159
62 2HB CYS 9 1HB CYS 9 -1.962 2.618 1.582
63 H VAL 10 H VAL 10 -1.421 6.504 0.030
64 HA VAL 10 HA VAL 10 -4.213 6.440 -1.033
65 HB VAL 10 HB VAL 10 -1.889 8.362 -1.419
66 1HG1 VAL 10 1HG1 VAL 10 -4.268 8.003 -2.943
67 2HG1 VAL 10 2HG1 VAL 10 -3.082 9.301 -3.079
68 3HG1 VAL 10 3HG1 VAL 10 -4.467 9.482 -2.003
69 1HG2 VAL 10 1HG2 VAL 10 -3.934 9.696 -0.127
70 2HG2 VAL 10 2HG2 VAL 10 -2.512 9.017 0.665
71 3HG2 VAL 10 3HG2 VAL 10 -4.011 8.091 0.601
72 HA PRO 11 HA PRO 11 -2.355 4.031 -4.347
73 1HB PRO 11 2HB PRO 11 -4.706 3.473 -5.633
74 2HB PRO 11 1HB PRO 11 -4.161 2.597 -4.190
75 1HG PRO 11 2HG PRO 11 -6.181 4.762 -4.439
76 2HG PRO 11 1HG PRO 11 -6.176 3.336 -3.391
77 1HD PRO 11 2HD PRO 11 -5.539 5.863 -2.546
78 2HD PRO 11 1HD PRO 11 -4.953 4.376 -1.770
79 H GLY 12 H GLY 12 -1.741 4.629 -6.451
80 1HA GLY 12 2HA GLY 12 -2.846 5.946 -8.492
81 2HA GLY 12 1HA GLY 12 -2.657 7.297 -7.374
82 H LYS 13 H LYS 13 -0.257 7.032 -6.252
83 HA LYS 13 HA LYS 13 1.645 6.983 -8.571
84 1HB LYS 13 2HB LYS 13 1.084 9.104 -7.211
85 2HB LYS 13 1HB LYS 13 2.002 8.361 -5.902
86 1HG LYS 13 2HG LYS 13 3.920 9.045 -6.850
87 2HG LYS 13 1HG LYS 13 3.540 8.111 -8.298
88 1HD LYS 13 2HD LYS 13 1.960 10.559 -8.150
89 2HD LYS 13 1HD LYS 13 3.691 10.896 -8.124
90 1HE LYS 13 2HE LYS 13 2.857 8.844 -10.098
91 2HE LYS 13 1HE LYS 13 2.293 10.494 -10.430
92 1HZ LYS 13 1HZ LYS 13 4.522 11.317 -10.144
93 2HZ LYS 13 2HZ LYS 13 4.548 10.072 -11.300
94 3HZ LYS 13 3HZ LYS 13 5.090 9.776 -9.717
95 H ASN 14 H ASN 14 0.737 4.805 -6.438
96 HA ASN 14 HA ASN 14 1.762 2.993 -5.353
97 1HB ASN 14 2HB ASN 14 3.021 3.414 -7.704
98 2HB ASN 14 1HB ASN 14 4.382 3.657 -6.608
99 1HD2 ASN 14 1HD2 ASN 14 1.790 1.289 -7.404
100 2HD2 ASN 14 2HD2 ASN 14 2.653 -0.066 -6.856
101 H GLU 15 H GLU 15 1.621 4.111 -3.271
102 HA GLU 15 HA GLU 15 4.158 5.392 -2.334
103 1HB GLU 15 2HB GLU 15 1.252 5.482 -1.551
104 2HB GLU 15 1HB GLU 15 2.486 5.962 -0.385
105 1HG GLU 15 2HG GLU 15 2.497 7.990 -1.368
106 2HG GLU 15 1HG GLU 15 3.245 7.225 -2.769
107 H CYS 16 H CYS 16 4.792 2.871 -2.430
108 HA CYS 16 HA CYS 16 4.608 1.894 0.372
109 1HB CYS 16 2HB CYS 16 3.436 0.655 -2.081
110 2HB CYS 16 1HB CYS 16 4.150 -0.427 -0.887
111 H CYS 17 H CYS 17 6.147 -0.014 0.671
112 HA CYS 17 HA CYS 17 8.730 0.594 -0.541
113 1HB CYS 17 2HB CYS 17 7.866 -0.408 1.826
114 2HB CYS 17 1HB CYS 17 8.281 -1.910 1.002
115 H SER 18 H SER 18 10.078 -1.286 -1.472
116 HA SER 18 HA SER 18 8.952 -2.297 -3.869
117 1HB SER 18 2HB SER 18 11.420 -2.091 -2.810
118 2HB SER 18 1HB SER 18 11.144 -3.804 -2.511
119 HG SER 18 HG SER 18 11.317 -4.165 -4.575
120 H GLY 19 H GLY 19 7.579 -4.001 -4.239
121 1HA GLY 19 2HA GLY 19 6.881 -6.309 -3.943
122 2HA GLY 19 1HA GLY 19 7.511 -6.259 -2.295
123 H TYR 20 H TYR 20 6.312 -3.754 -1.538
124 HA TYR 20 HA TYR 20 3.512 -4.677 -1.146
125 1HB TYR 20 2HB TYR 20 5.428 -2.762 0.172
126 2HB TYR 20 1HB TYR 20 3.700 -2.633 0.500
127 HD1 TYR 20 HD1 TYR 20 2.517 -4.347 1.743
128 HD2 TYR 20 HD2 TYR 20 6.681 -4.799 0.788
129 HE1 TYR 20 HE1 TYR 20 2.677 -6.238 3.338
130 HE2 TYR 20 HE2 TYR 20 6.842 -6.690 2.384
131 HH TYR 20 HH TYR 20 5.179 -7.295 4.692
132 H ALA 21 H ALA 21 1.737 -3.415 -1.793
133 HA ALA 21 HA ALA 21 2.301 -0.890 -3.309
134 1HB ALA 21 1HB ALA 21 1.200 -1.719 -5.181
135 2HB ALA 21 2HB ALA 21 0.206 -2.825 -4.231
136 3HB ALA 21 3HB ALA 21 1.896 -3.213 -4.555
137 H CYS 22 H CYS 22 0.024 0.198 -3.779
138 HA CYS 22 HA CYS 22 -1.387 0.355 -1.175
139 1HB CYS 22 2HB CYS 22 -0.503 2.225 -2.886
140 2HB CYS 22 1HB CYS 22 -2.119 2.003 -3.558
141 H ASN 23 H ASN 23 -3.206 -0.852 -0.859
142 HA ASN 23 HA ASN 23 -4.656 -1.974 -3.205
143 1HB ASN 23 2HB ASN 23 -3.820 -2.956 -0.751
144 2HB ASN 23 1HB ASN 23 -5.542 -2.674 -0.492
145 1HD2 ASN 23 1HD2 ASN 23 -3.372 -4.980 -1.635
146 2HD2 ASN 23 2HD2 ASN 23 -4.434 -5.878 -2.606
147 H SER 24 H SER 24 -7.150 -2.113 -2.822
148 HA SER 24 HA SER 24 -8.120 0.613 -2.045
149 1HB SER 24 2HB SER 24 -8.917 -1.475 -4.053
150 2HB SER 24 1HB SER 24 -10.097 -0.278 -3.526
151 HG SER 24 HG SER 24 -9.054 0.625 -5.235
152 H ARG 25 H ARG 25 -8.306 -2.731 -1.127
153 HA ARG 25 HA ARG 25 -10.933 -2.928 -0.056
154 1HB ARG 25 2HB ARG 25 -8.241 -4.125 0.595
155 2HB ARG 25 1HB ARG 25 -9.662 -4.550 1.550
156 1HG ARG 25 2HG ARG 25 -10.312 -5.995 -0.042
157 2HG ARG 25 1HG ARG 25 -10.393 -4.675 -1.209
158 1HD ARG 25 2HD ARG 25 -7.638 -5.229 -0.878
159 2HD ARG 25 1HD ARG 25 -8.441 -6.801 -1.044
160 HE ARG 25 HE ARG 25 -8.276 -4.746 -3.108
161 1HH1 ARG 25 1HH2 ARG 25 -9.653 -7.736 -2.071
162 2HH1 ARG 25 2HH2 ARG 25 -10.661 -7.907 -3.466
163 1HH2 ARG 25 2HH1 ARG 25 -9.800 -4.831 -4.820
164 2HH2 ARG 25 1HH1 ARG 25 -10.743 -6.269 -5.020
165 H ASP 26 H ASP 26 -7.923 -2.092 1.714
166 HA ASP 26 HA ASP 26 -9.614 -0.675 3.749
167 1HB ASP 26 2HB ASP 26 -7.190 -2.397 3.784
168 2HB ASP 26 1HB ASP 26 -7.213 -1.066 4.940
169 H LYS 27 H LYS 27 -7.798 0.039 1.084
170 HA LYS 27 HA LYS 27 -6.684 1.973 0.345
171 1HB LYS 27 2HB LYS 27 -8.824 2.729 1.770
172 2HB LYS 27 1HB LYS 27 -7.574 3.409 2.813
173 1HG LYS 27 2HG LYS 27 -6.623 4.258 0.456
174 2HG LYS 27 1HG LYS 27 -8.332 4.155 0.027
175 1HD LYS 27 2HD LYS 27 -8.966 5.714 1.676
176 2HD LYS 27 1HD LYS 27 -7.455 5.523 2.565
177 1HE LYS 27 2HE LYS 27 -6.210 6.718 0.891
178 2HE LYS 27 1HE LYS 27 -7.579 6.679 -0.239
179 1HZ LYS 27 1HZ LYS 27 -7.561 8.005 2.425
180 2HZ LYS 27 2HZ LYS 27 -8.891 7.933 1.369
181 3HZ LYS 27 3HZ LYS 27 -7.497 8.798 0.927
182 H TRP 28 H TRP 28 -5.045 0.162 1.737
183 HA TRP 28 HA TRP 28 -3.121 2.042 3.022
184 1HB TRP 28 2HB TRP 28 -2.772 0.398 4.852
185 2HB TRP 28 1HB TRP 28 -4.412 1.022 4.823
186 HD1 TRP 28 HD1 TRP 28 -3.878 -1.528 2.144
187 HE1 TRP 28 HE1 TRP 28 -4.922 -3.774 2.849
188 HE3 TRP 28 HE3 TRP 28 -4.794 -0.558 7.070
189 HZ2 TRP 28 HZ2 TRP 28 -6.006 -5.002 5.199
190 HZ3 TRP 28 HZ3 TRP 28 -5.831 -2.281 8.520
191 HH2 TRP 28 HH2 TRP 28 -6.438 -4.499 7.592
192 H CYS 29 H CYS 29 -1.055 0.405 3.620
193 HA CYS 29 HA CYS 29 -0.111 -0.426 0.966
194 1HB CYS 29 2HB CYS 29 1.120 0.827 2.891
195 2HB CYS 29 1HB CYS 29 1.334 -0.777 3.590
196 H LYS 30 H LYS 30 -0.330 -2.465 0.203
197 HA LYS 30 HA LYS 30 -0.353 -4.760 2.125
198 1HB LYS 30 2HB LYS 30 -2.659 -4.097 1.507
199 2HB LYS 30 1HB LYS 30 -2.243 -4.251 -0.199
200 1HG LYS 30 2HG LYS 30 -2.614 -6.471 -0.141
201 2HG LYS 30 1HG LYS 30 -1.495 -6.660 1.208
202 1HD LYS 30 2HD LYS 30 -3.262 -7.111 2.529
203 2HD LYS 30 1HD LYS 30 -3.790 -5.445 2.301
204 1HE LYS 30 2HE LYS 30 -5.650 -6.767 1.596
205 2HE LYS 30 1HE LYS 30 -4.854 -6.292 0.085
206 1HZ LYS 30 1HZ LYS 30 -4.237 -8.385 -0.322
207 2HZ LYS 30 2HZ LYS 30 -5.326 -8.858 0.892
208 3HZ LYS 30 3HZ LYS 30 -3.684 -8.635 1.262
209 H VAL 31 H VAL 31 0.694 -6.610 1.316
210 HA VAL 31 HA VAL 31 2.619 -6.317 -0.790
211 HB VAL 31 HB VAL 31 2.604 -7.864 1.241
212 1HG1 VAL 31 1HG1 VAL 31 0.220 -8.703 0.529
213 2HG1 VAL 31 2HG1 VAL 31 1.362 -9.846 1.237
214 3HG1 VAL 31 3HG1 VAL 31 1.120 -9.809 -0.509
215 1HG2 VAL 31 1HG2 VAL 31 3.143 -9.148 -1.456
216 2HG2 VAL 31 2HG2 VAL 31 3.857 -9.625 0.085
217 3HG2 VAL 31 3HG2 VAL 31 4.244 -8.055 -0.618
218 H LEU 32 H LEU 32 2.653 -7.314 -2.899
219 HA LEU 32 HA LEU 32 0.215 -7.194 -4.402
220 1HB LEU 32 2HB LEU 32 3.030 -7.603 -4.800
221 2HB LEU 32 1HB LEU 32 2.156 -8.837 -5.705
222 HG LEU 32 HG LEU 32 2.479 -6.826 -7.081
223 1HD1 LEU 32 1HD1 LEU 32 0.209 -6.567 -7.821
224 2HD1 LEU 32 2HD1 LEU 32 -0.422 -6.995 -6.231
225 3HD1 LEU 32 3HD1 LEU 32 0.361 -8.221 -7.228
226 1HD2 LEU 32 1HD2 LEU 32 0.697 -5.331 -5.157
227 2HD2 LEU 32 2HD2 LEU 32 1.710 -4.682 -6.447
228 3HD2 LEU 32 3HD2 LEU 32 2.452 -5.313 -4.977
229 H LEU 33 H LEU 33 -1.252 -8.791 -4.966
230 HA LEU 33 HA LEU 33 -1.074 -11.375 -3.534
231 1HB LEU 33 1HB LEU 33 -3.415 -11.560 -4.166
232 2HB LEU 33 2HB LEU 33 -3.121 -9.918 -3.598
233 HG LEU 33 HG LEU 33 -2.557 -9.751 -6.309
234 1HD1 LEU 33 1HD1 LEU 33 -4.929 -11.582 -5.849
235 2HD1 LEU 33 2HD1 LEU 33 -4.602 -10.753 -7.371
236 3HD1 LEU 33 3HD1 LEU 33 -3.466 -11.956 -6.759
237 1HD2 LEU 33 1HD2 LEU 33 -4.139 -8.469 -4.500
238 2HD2 LEU 33 2HD2 LEU 33 -4.184 -8.142 -6.232
239 3HD2 LEU 33 3HD2 LEU 33 -5.368 -9.232 -5.510
240 1HN NH2 34 1HN NH2 34 0.287 -13.272 -5.945
241 2HN NH2 34 2HN NH2 34 0.224 -12.598 -4.302
Start of MODEL 18
1 1H GLU 1 1H GLU 1 8.905 7.753 4.303
2 2H GLU 1 2H GLU 1 9.172 6.641 3.046
3 3H GLU 1 3H GLU 1 9.429 6.181 4.661
4 HA GLU 1 HA GLU 1 7.057 6.415 5.135
5 1HB GLU 1 2HB GLU 1 7.232 7.446 2.314
6 2HB GLU 1 1HB GLU 1 5.722 6.724 2.871
7 1HG GLU 1 2HG GLU 1 6.299 8.351 4.979
8 2HG GLU 1 1HG GLU 1 6.991 9.284 3.653
9 H CYS 2 H CYS 2 8.036 4.187 5.415
10 HA CYS 2 HA CYS 2 7.467 2.349 3.120
11 1HB CYS 2 2HB CYS 2 9.557 2.648 5.071
12 2HB CYS 2 1HB CYS 2 8.802 1.070 5.293
13 H LYS 3 H LYS 3 5.340 1.671 3.317
14 HA LYS 3 HA LYS 3 4.155 1.168 5.981
15 1HB LYS 3 2HB LYS 3 3.244 1.289 3.118
16 2HB LYS 3 1HB LYS 3 2.219 0.490 4.310
17 1HG LYS 3 2HG LYS 3 1.442 2.523 4.889
18 2HG LYS 3 1HG LYS 3 3.042 2.880 5.540
19 1HD LYS 3 2HD LYS 3 3.754 3.646 3.279
20 2HD LYS 3 1HD LYS 3 2.109 3.380 2.699
21 1HE LYS 3 2HE LYS 3 1.424 5.366 3.552
22 2HE LYS 3 1HE LYS 3 2.116 4.979 5.140
23 1HZ LYS 3 1HZ LYS 3 4.313 5.519 4.270
24 2HZ LYS 3 2HZ LYS 3 3.270 6.855 4.143
25 3HZ LYS 3 3HZ LYS 3 3.638 5.929 2.768
26 H GLY 4 H GLY 4 3.984 -0.858 6.874
27 1HA GLY 4 2HA GLY 4 5.221 -3.130 5.501
28 2HA GLY 4 1HA GLY 4 4.553 -3.144 7.134
29 H PHE 5 H PHE 5 2.392 -3.754 7.430
30 HA PHE 5 HA PHE 5 0.813 -4.400 4.968
31 1HB PHE 5 2HB PHE 5 2.015 -6.395 5.781
32 2HB PHE 5 1HB PHE 5 1.320 -6.167 7.385
33 HD1 PHE 5 HD1 PHE 5 0.195 -6.398 3.806
34 HD2 PHE 5 HD2 PHE 5 -0.597 -7.375 7.914
35 HE1 PHE 5 HE1 PHE 5 -1.823 -7.664 3.117
36 HE2 PHE 5 HE2 PHE 5 -2.613 -8.641 7.224
37 HZ PHE 5 HZ PHE 5 -3.227 -8.786 4.826
38 H GLY 6 H GLY 6 -1.293 -3.736 5.139
39 1HA GLY 6 2HA GLY 6 -3.343 -3.127 6.127
40 2HA GLY 6 1HA GLY 6 -2.709 -3.656 7.684
41 H LYS 7 H LYS 7 -1.117 -1.290 5.584
42 HA LYS 7 HA LYS 7 -1.577 0.779 7.708
43 1HB LYS 7 2HB LYS 7 0.733 -0.101 6.048
44 2HB LYS 7 1HB LYS 7 0.600 1.633 6.335
45 1HG LYS 7 2HG LYS 7 0.479 -0.443 8.539
46 2HG LYS 7 1HG LYS 7 1.956 0.400 8.073
47 1HD LYS 7 2HD LYS 7 -0.580 1.840 8.898
48 2HD LYS 7 1HD LYS 7 0.710 1.433 10.028
49 1HE LYS 7 2HE LYS 7 1.771 3.339 9.416
50 2HE LYS 7 1HE LYS 7 1.960 2.665 7.786
51 1HZ LYS 7 1HZ LYS 7 -0.282 3.418 7.254
52 2HZ LYS 7 2HZ LYS 7 0.690 4.729 7.726
53 3HZ LYS 7 3HZ LYS 7 -0.450 4.082 8.807
54 H SER 8 H SER 8 -3.013 2.308 7.030
55 HA SER 8 HA SER 8 -4.095 2.650 4.468
56 1HB SER 8 2HB SER 8 -4.771 3.610 6.748
57 2HB SER 8 1HB SER 8 -3.598 4.888 6.443
58 HG SER 8 HG SER 8 -4.932 5.743 5.059
59 H CYS 9 H CYS 9 -3.317 3.506 2.581
60 HA CYS 9 HA CYS 9 -1.068 5.468 2.677
61 1HB CYS 9 2HB CYS 9 0.085 4.097 0.918
62 2HB CYS 9 1HB CYS 9 -0.063 3.256 2.460
63 H VAL 10 H VAL 10 -0.623 6.097 0.186
64 HA VAL 10 HA VAL 10 -3.300 6.761 -0.983
65 HB VAL 10 HB VAL 10 -0.551 8.038 -1.206
66 1HG1 VAL 10 1HG1 VAL 10 -1.947 9.912 -2.285
67 2HG1 VAL 10 2HG1 VAL 10 -3.204 8.694 -2.498
68 3HG1 VAL 10 3HG1 VAL 10 -1.633 8.486 -3.274
69 1HG2 VAL 10 1HG2 VAL 10 -3.036 8.592 0.392
70 2HG2 VAL 10 2HG2 VAL 10 -2.011 9.941 -0.099
71 3HG2 VAL 10 3HG2 VAL 10 -1.349 8.648 0.902
72 HA PRO 11 HA PRO 11 -2.027 3.965 -4.241
73 1HB PRO 11 2HB PRO 11 -4.311 4.192 -5.732
74 2HB PRO 11 1HB PRO 11 -4.209 3.200 -4.265
75 1HG PRO 11 2HG PRO 11 -5.401 5.891 -4.648
76 2HG PRO 11 1HG PRO 11 -5.932 4.555 -3.617
77 1HD PRO 11 2HD PRO 11 -4.579 6.774 -2.716
78 2HD PRO 11 1HD PRO 11 -4.605 5.203 -1.885
79 H GLY 12 H GLY 12 -1.761 4.189 -6.679
80 1HA GLY 12 2HA GLY 12 -1.631 5.568 -8.672
81 2HA GLY 12 1HA GLY 12 -1.787 7.002 -7.655
82 H LYS 13 H LYS 13 0.102 7.071 -5.912
83 HA LYS 13 HA LYS 13 2.634 6.999 -7.453
84 1HB LYS 13 2HB LYS 13 1.421 8.578 -5.396
85 2HB LYS 13 1HB LYS 13 2.919 7.911 -4.749
86 1HG LYS 13 2HG LYS 13 4.215 9.168 -6.124
87 2HG LYS 13 1HG LYS 13 3.153 8.914 -7.509
88 1HD LYS 13 2HD LYS 13 1.746 10.694 -6.924
89 2HD LYS 13 1HD LYS 13 2.270 10.682 -5.240
90 1HE LYS 13 2HE LYS 13 4.035 12.061 -5.667
91 2HE LYS 13 1HE LYS 13 4.450 11.206 -7.166
92 1HZ LYS 13 1HZ LYS 13 2.583 12.247 -8.264
93 2HZ LYS 13 2HZ LYS 13 3.584 13.448 -7.601
94 3HZ LYS 13 3HZ LYS 13 2.126 13.034 -6.832
95 H ASN 14 H ASN 14 0.985 5.168 -4.994
96 HA ASN 14 HA ASN 14 1.585 3.241 -3.798
97 1HB ASN 14 2HB ASN 14 2.357 2.835 -6.268
98 2HB ASN 14 1HB ASN 14 3.982 3.043 -5.615
99 1HD2 ASN 14 1HD2 ASN 14 4.867 1.321 -4.358
100 2HD2 ASN 14 2HD2 ASN 14 4.032 -0.123 -4.041
101 H GLU 15 H GLU 15 2.139 4.713 -1.971
102 HA GLU 15 HA GLU 15 5.047 5.215 -1.555
103 1HB GLU 15 2HB GLU 15 2.477 6.053 -0.185
104 2HB GLU 15 1HB GLU 15 4.064 6.424 0.489
105 1HG GLU 15 2HG GLU 15 4.142 8.235 -0.845
106 2HG GLU 15 1HG GLU 15 4.208 7.149 -2.234
107 H CYS 16 H CYS 16 4.254 2.468 -1.535
108 HA CYS 16 HA CYS 16 4.176 1.714 1.353
109 1HB CYS 16 2HB CYS 16 3.293 0.596 -1.241
110 2HB CYS 16 1HB CYS 16 3.963 -0.589 -0.122
111 H CYS 17 H CYS 17 5.594 -0.229 1.907
112 HA CYS 17 HA CYS 17 8.361 0.295 1.064
113 1HB CYS 17 2HB CYS 17 7.192 -0.430 3.380
114 2HB CYS 17 1HB CYS 17 7.594 -2.033 2.765
115 H SER 18 H SER 18 9.765 -1.717 0.554
116 HA SER 18 HA SER 18 8.878 -2.966 -1.867
117 1HB SER 18 2HB SER 18 10.967 -4.322 -1.517
118 2HB SER 18 1HB SER 18 11.224 -2.591 -1.326
119 HG SER 18 HG SER 18 11.950 -3.102 0.576
120 H GLY 19 H GLY 19 7.750 -4.859 -2.199
121 1HA GLY 19 2HA GLY 19 7.156 -7.154 -1.623
122 2HA GLY 19 1HA GLY 19 7.440 -6.767 0.073
123 H TYR 20 H TYR 20 5.919 -4.109 -0.498
124 HA TYR 20 HA TYR 20 3.149 -5.263 -0.458
125 1HB TYR 20 2HB TYR 20 4.369 -3.050 1.230
126 2HB TYR 20 1HB TYR 20 2.686 -3.567 1.305
127 HD1 TYR 20 HD1 TYR 20 2.122 -5.886 2.078
128 HD2 TYR 20 HD2 TYR 20 6.110 -4.301 2.298
129 HE1 TYR 20 HE1 TYR 20 2.739 -7.663 3.692
130 HE2 TYR 20 HE2 TYR 20 6.727 -6.081 3.911
131 HH TYR 20 HH TYR 20 5.451 -8.726 4.308
132 H ALA 21 H ALA 21 1.511 -3.852 -1.328
133 HA ALA 21 HA ALA 21 2.501 -1.418 -2.771
134 1HB ALA 21 1HB ALA 21 0.965 -3.817 -3.774
135 2HB ALA 21 2HB ALA 21 2.438 -3.106 -4.435
136 3HB ALA 21 3HB ALA 21 0.895 -2.271 -4.620
137 H CYS 22 H CYS 22 1.016 0.294 -2.782
138 HA CYS 22 HA CYS 22 -1.120 0.298 -0.842
139 1HB CYS 22 2HB CYS 22 0.362 2.203 -1.799
140 2HB CYS 22 1HB CYS 22 -0.787 2.235 -3.137
141 H ASN 23 H ASN 23 -3.164 -0.497 -1.112
142 HA ASN 23 HA ASN 23 -4.161 -0.986 -3.896
143 1HB ASN 23 2HB ASN 23 -3.934 -2.565 -1.570
144 2HB ASN 23 1HB ASN 23 -5.656 -2.230 -1.739
145 1HD2 ASN 23 1HD2 ASN 23 -6.760 -3.066 -3.644
146 2HD2 ASN 23 2HD2 ASN 23 -6.026 -4.199 -4.672
147 H SER 24 H SER 24 -6.481 -0.583 -4.267
148 HA SER 24 HA SER 24 -7.439 1.838 -2.826
149 1HB SER 24 2HB SER 24 -7.972 0.463 -5.446
150 2HB SER 24 1HB SER 24 -9.151 1.612 -4.818
151 HG SER 24 HG SER 24 -7.834 3.175 -5.303
152 H ARG 25 H ARG 25 -8.228 -1.569 -3.254
153 HA ARG 25 HA ARG 25 -10.970 -1.593 -2.491
154 1HB ARG 25 2HB ARG 25 -8.642 -3.503 -2.258
155 2HB ARG 25 1HB ARG 25 -10.235 -3.951 -1.647
156 1HG ARG 25 2HG ARG 25 -11.232 -3.744 -3.809
157 2HG ARG 25 1HG ARG 25 -9.810 -2.929 -4.461
158 1HD ARG 25 2HD ARG 25 -9.585 -5.156 -5.253
159 2HD ARG 25 1HD ARG 25 -8.546 -5.132 -3.814
160 HE ARG 25 HE ARG 25 -11.403 -6.001 -3.613
161 1HH1 ARG 25 1HH2 ARG 25 -9.717 -5.967 -1.155
162 2HH1 ARG 25 2HH2 ARG 25 -9.152 -7.601 -1.065
163 1HH2 ARG 25 2HH1 ARG 25 -9.950 -8.340 -4.365
164 2HH2 ARG 25 1HH1 ARG 25 -9.284 -8.948 -2.886
165 H ASP 26 H ASP 26 -8.058 -2.030 -0.442
166 HA ASP 26 HA ASP 26 -9.721 -1.547 1.993
167 1HB ASP 26 2HB ASP 26 -7.071 -2.828 1.355
168 2HB ASP 26 1HB ASP 26 -7.440 -2.341 3.009
169 H LYS 27 H LYS 27 -7.720 0.177 -0.132
170 HA LYS 27 HA LYS 27 -6.659 2.269 -0.005
171 1HB LYS 27 2HB LYS 27 -8.440 2.361 2.455
172 2HB LYS 27 1HB LYS 27 -7.639 3.765 1.752
173 1HG LYS 27 2HG LYS 27 -9.381 3.999 0.346
174 2HG LYS 27 1HG LYS 27 -8.943 2.457 -0.390
175 1HD LYS 27 2HD LYS 27 -11.078 1.924 0.290
176 2HD LYS 27 1HD LYS 27 -10.214 1.509 1.770
177 1HE LYS 27 2HE LYS 27 -10.711 4.282 1.960
178 2HE LYS 27 1HE LYS 27 -12.221 3.562 1.370
179 1HZ LYS 27 1HZ LYS 27 -12.045 1.874 3.106
180 2HZ LYS 27 2HZ LYS 27 -12.107 3.432 3.780
181 3HZ LYS 27 3HZ LYS 27 -10.628 2.601 3.692
182 H TRP 28 H TRP 28 -5.299 -0.041 1.224
183 HA TRP 28 HA TRP 28 -3.505 1.477 3.046
184 1HB TRP 28 2HB TRP 28 -3.609 -0.263 4.732
185 2HB TRP 28 1HB TRP 28 -5.245 0.267 4.374
186 HD1 TRP 28 HD1 TRP 28 -4.234 -1.874 1.570
187 HE1 TRP 28 HE1 TRP 28 -5.110 -4.273 1.875
188 HE3 TRP 28 HE3 TRP 28 -5.598 -1.693 6.486
189 HZ2 TRP 28 HZ2 TRP 28 -6.246 -5.905 3.930
190 HZ3 TRP 28 HZ3 TRP 28 -6.579 -3.683 7.590
191 HH2 TRP 28 HH2 TRP 28 -6.904 -5.787 6.320
192 H CYS 29 H CYS 29 -1.696 -0.448 3.702
193 HA CYS 29 HA CYS 29 -0.404 -0.994 1.114
194 1HB CYS 29 2HB CYS 29 0.529 -0.126 3.447
195 2HB CYS 29 1HB CYS 29 0.680 -1.852 3.776
196 H LYS 30 H LYS 30 -0.992 -2.843 0.063
197 HA LYS 30 HA LYS 30 -1.742 -5.272 1.629
198 1HB LYS 30 2HB LYS 30 -2.781 -3.989 -0.607
199 2HB LYS 30 1HB LYS 30 -1.885 -5.337 -1.308
200 1HG LYS 30 2HG LYS 30 -3.225 -6.422 0.916
201 2HG LYS 30 1HG LYS 30 -4.403 -5.371 0.130
202 1HD LYS 30 2HD LYS 30 -3.394 -6.557 -2.059
203 2HD LYS 30 1HD LYS 30 -3.093 -7.844 -0.891
204 1HE LYS 30 2HE LYS 30 -5.375 -8.153 -0.444
205 2HE LYS 30 1HE LYS 30 -5.800 -6.518 -0.987
206 1HZ LYS 30 1HZ LYS 30 -5.182 -7.122 -3.235
207 2HZ LYS 30 2HZ LYS 30 -6.367 -8.194 -2.660
208 3HZ LYS 30 3HZ LYS 30 -4.742 -8.682 -2.732
209 H VAL 31 H VAL 31 -0.936 -7.381 0.338
210 HA VAL 31 HA VAL 31 2.021 -7.158 0.207
211 HB VAL 31 HB VAL 31 0.148 -9.549 0.069
212 1HG1 VAL 31 1HG1 VAL 31 2.236 -10.762 0.832
213 2HG1 VAL 31 2HG1 VAL 31 3.136 -9.282 0.500
214 3HG1 VAL 31 3HG1 VAL 31 2.318 -10.130 -0.813
215 1HG2 VAL 31 1HG2 VAL 31 1.161 -9.750 2.509
216 2HG2 VAL 31 2HG2 VAL 31 -0.239 -8.719 2.211
217 3HG2 VAL 31 3HG2 VAL 31 1.369 -8.007 2.337
218 H LEU 32 H LEU 32 3.223 -7.910 -1.643
219 HA LEU 32 HA LEU 32 2.066 -7.280 -4.217
220 1HB LEU 32 2HB LEU 32 4.623 -7.802 -3.024
221 2HB LEU 32 1HB LEU 32 4.466 -8.810 -4.462
222 HG LEU 32 HG LEU 32 5.435 -6.604 -5.012
223 1HD1 LEU 32 1HD1 LEU 32 2.613 -6.708 -6.086
224 2HD1 LEU 32 2HD1 LEU 32 3.837 -7.886 -6.562
225 3HD1 LEU 32 3HD1 LEU 32 4.076 -6.174 -6.914
226 1HD2 LEU 32 1HD2 LEU 32 4.306 -4.567 -4.601
227 2HD2 LEU 32 2HD2 LEU 32 4.074 -5.478 -3.110
228 3HD2 LEU 32 3HD2 LEU 32 2.771 -5.379 -4.293
229 H LEU 33 H LEU 33 3.200 -10.365 -2.807
230 HA LEU 33 HA LEU 33 1.327 -11.801 -4.663
231 1HB LEU 33 1HB LEU 33 4.227 -12.218 -3.977
232 2HB LEU 33 2HB LEU 33 3.244 -13.597 -4.470
233 HG LEU 33 HG LEU 33 2.927 -11.200 -6.166
234 1HD1 LEU 33 1HD1 LEU 33 5.551 -12.716 -6.044
235 2HD1 LEU 33 2HD1 LEU 33 5.077 -11.659 -7.373
236 3HD1 LEU 33 3HD1 LEU 33 5.313 -10.991 -5.758
237 1HD2 LEU 33 1HD2 LEU 33 1.960 -13.488 -6.591
238 2HD2 LEU 33 2HD2 LEU 33 2.939 -12.874 -7.923
239 3HD2 LEU 33 3HD2 LEU 33 3.604 -14.083 -6.825
240 1HN NH2 34 1HN NH2 34 0.050 -12.385 -1.429
241 2HN NH2 34 2HN NH2 34 0.181 -11.198 -2.745
Start of MODEL 19
1 1H GLU 1 1H GLU 1 6.412 10.695 1.838
2 2H GLU 1 2H GLU 1 5.177 9.608 2.266
3 3H GLU 1 3H GLU 1 6.133 9.316 0.892
4 HA GLU 1 HA GLU 1 8.097 9.008 2.291
5 1HB GLU 1 2HB GLU 1 6.760 10.616 3.975
6 2HB GLU 1 1HB GLU 1 6.316 9.067 4.692
7 1HG GLU 1 2HG GLU 1 9.106 8.975 4.091
8 2HG GLU 1 1HG GLU 1 8.788 10.487 4.943
9 H CYS 2 H CYS 2 8.354 6.949 3.736
10 HA CYS 2 HA CYS 2 7.037 4.730 2.505
11 1HB CYS 2 2HB CYS 2 8.986 5.289 4.617
12 2HB CYS 2 1HB CYS 2 8.005 3.868 4.975
13 H LYS 3 H LYS 3 5.069 3.813 2.937
14 HA LYS 3 HA LYS 3 3.543 4.775 5.324
15 1HB LYS 3 2HB LYS 3 2.777 3.482 2.688
16 2HB LYS 3 1HB LYS 3 1.613 3.860 3.958
17 1HG LYS 3 2HG LYS 3 3.473 5.955 2.821
18 2HG LYS 3 1HG LYS 3 1.906 5.609 2.094
19 1HD LYS 3 2HD LYS 3 0.978 7.006 3.597
20 2HD LYS 3 1HD LYS 3 1.401 5.841 4.852
21 1HE LYS 3 2HE LYS 3 2.450 7.834 5.592
22 2HE LYS 3 1HE LYS 3 3.766 6.983 4.760
23 1HZ LYS 3 1HZ LYS 3 1.945 8.942 3.457
24 2HZ LYS 3 2HZ LYS 3 3.302 8.193 2.757
25 3HZ LYS 3 3HZ LYS 3 3.502 9.315 4.016
26 H GLY 4 H GLY 4 2.968 3.327 6.927
27 1HA GLY 4 2HA GLY 4 4.026 0.580 6.747
28 2HA GLY 4 1HA GLY 4 3.346 1.335 8.188
29 H PHE 5 H PHE 5 2.185 -0.768 8.369
30 HA PHE 5 HA PHE 5 0.107 -1.428 6.416
31 1HB PHE 5 2HB PHE 5 1.522 -2.712 8.423
32 2HB PHE 5 1HB PHE 5 -0.082 -2.543 9.134
33 HD1 PHE 5 HD1 PHE 5 -2.089 -3.440 7.914
34 HD2 PHE 5 HD2 PHE 5 1.931 -4.222 6.611
35 HE1 PHE 5 HE1 PHE 5 -2.906 -5.320 6.519
36 HE2 PHE 5 HE2 PHE 5 1.112 -6.102 5.216
37 HZ PHE 5 HZ PHE 5 -1.305 -6.651 5.171
38 H GLY 6 H GLY 6 -2.108 -0.972 6.593
39 1HA GLY 6 2HA GLY 6 -4.103 -0.101 7.520
40 2HA GLY 6 1HA GLY 6 -3.242 0.174 9.033
41 H LYS 7 H LYS 7 -2.078 1.391 5.933
42 HA LYS 7 HA LYS 7 -2.659 4.177 6.890
43 1HB LYS 7 2HB LYS 7 -0.281 2.770 5.902
44 2HB LYS 7 1HB LYS 7 -0.581 4.278 5.036
45 1HG LYS 7 2HG LYS 7 -0.729 4.211 8.041
46 2HG LYS 7 1HG LYS 7 0.834 4.348 7.234
47 1HD LYS 7 2HD LYS 7 0.326 6.427 6.305
48 2HD LYS 7 1HD LYS 7 -1.414 6.159 6.402
49 1HE LYS 7 2HE LYS 7 -1.189 7.587 8.211
50 2HE LYS 7 1HE LYS 7 -0.808 6.067 9.043
51 1HZ LYS 7 1HZ LYS 7 0.933 7.721 9.400
52 2HZ LYS 7 2HZ LYS 7 1.171 7.856 7.723
53 3HZ LYS 7 3HZ LYS 7 1.528 6.399 8.522
54 H SER 8 H SER 8 -4.080 5.265 5.598
55 HA SER 8 HA SER 8 -5.429 4.309 3.356
56 1HB SER 8 2HB SER 8 -5.808 6.394 4.786
57 2HB SER 8 1HB SER 8 -4.616 7.198 3.769
58 HG SER 8 HG SER 8 -6.705 7.526 2.958
59 H CYS 9 H CYS 9 -4.604 3.625 1.430
60 HA CYS 9 HA CYS 9 -2.439 5.246 0.131
61 1HB CYS 9 2HB CYS 9 -1.373 3.331 1.101
62 2HB CYS 9 1HB CYS 9 -2.676 2.261 0.585
63 H VAL 10 H VAL 10 -2.669 5.448 -2.117
64 HA VAL 10 HA VAL 10 -5.263 4.540 -3.259
65 HB VAL 10 HB VAL 10 -3.108 6.455 -4.225
66 1HG1 VAL 10 1HG1 VAL 10 -4.320 5.596 -6.132
67 2HG1 VAL 10 2HG1 VAL 10 -4.936 7.213 -5.793
68 3HG1 VAL 10 3HG1 VAL 10 -5.864 5.796 -5.303
69 1HG2 VAL 10 1HG2 VAL 10 -5.708 6.797 -2.729
70 2HG2 VAL 10 2HG2 VAL 10 -5.043 8.109 -3.702
71 3HG2 VAL 10 3HG2 VAL 10 -4.121 7.465 -2.345
72 HA PRO 11 HA PRO 11 -3.044 1.245 -5.297
73 1HB PRO 11 2HB PRO 11 -5.112 0.414 -6.894
74 2HB PRO 11 1HB PRO 11 -4.993 0.009 -5.170
75 1HG PRO 11 2HG PRO 11 -6.606 2.132 -6.507
76 2HG PRO 11 1HG PRO 11 -7.051 1.047 -5.179
77 1HD PRO 11 2HD PRO 11 -6.341 3.625 -4.774
78 2HD PRO 11 1HD PRO 11 -6.001 2.341 -3.591
79 H GLY 12 H GLY 12 -1.697 1.454 -7.052
80 1HA GLY 12 2HA GLY 12 -1.468 1.775 -9.503
81 2HA GLY 12 1HA GLY 12 -2.637 3.089 -9.379
82 H LYS 13 H LYS 13 -1.377 4.105 -6.859
83 HA LYS 13 HA LYS 13 0.762 5.702 -8.140
84 1HB LYS 13 2HB LYS 13 -1.026 5.836 -5.765
85 2HB LYS 13 1HB LYS 13 0.545 6.617 -5.593
86 1HG LYS 13 2HG LYS 13 -0.021 8.304 -6.989
87 2HG LYS 13 1HG LYS 13 -0.728 7.198 -8.168
88 1HD LYS 13 2HD LYS 13 -2.830 7.248 -7.159
89 2HD LYS 13 1HD LYS 13 -2.175 7.707 -5.587
90 1HE LYS 13 2HE LYS 13 -3.105 9.738 -6.300
91 2HE LYS 13 1HE LYS 13 -1.442 9.904 -6.898
92 1HZ LYS 13 1HZ LYS 13 -3.732 8.797 -8.442
93 2HZ LYS 13 2HZ LYS 13 -2.137 8.946 -9.007
94 3HZ LYS 13 3HZ LYS 13 -3.052 10.334 -8.663
95 H ASN 14 H ASN 14 0.409 3.089 -5.819
96 HA ASN 14 HA ASN 14 1.994 1.830 -4.620
97 1HB ASN 14 2HB ASN 14 2.779 1.767 -7.055
98 2HB ASN 14 1HB ASN 14 3.936 3.024 -6.619
99 1HD2 ASN 14 1HD2 ASN 14 5.950 2.116 -6.203
100 2HD2 ASN 14 2HD2 ASN 14 6.211 0.632 -5.423
101 H GLU 15 H GLU 15 1.556 3.670 -2.949
102 HA GLU 15 HA GLU 15 4.018 5.316 -2.491
103 1HB GLU 15 2HB GLU 15 1.170 5.548 -1.453
104 2HB GLU 15 1HB GLU 15 2.472 6.681 -1.092
105 1HG GLU 15 2HG GLU 15 1.468 6.047 -3.887
106 2HG GLU 15 1HG GLU 15 1.003 7.470 -2.954
107 H CYS 16 H CYS 16 3.656 2.396 -1.770
108 HA CYS 16 HA CYS 16 3.617 2.516 1.210
109 1HB CYS 16 2HB CYS 16 3.595 0.253 -0.814
110 2HB CYS 16 1HB CYS 16 3.530 0.021 0.933
111 H CYS 17 H CYS 17 5.363 1.242 2.337
112 HA CYS 17 HA CYS 17 8.003 2.019 1.396
113 1HB CYS 17 2HB CYS 17 6.890 1.607 3.798
114 2HB CYS 17 1HB CYS 17 7.577 0.000 3.562
115 H SER 18 H SER 18 9.803 0.316 1.293
116 HA SER 18 HA SER 18 9.387 -1.535 -0.815
117 1HB SER 18 2HB SER 18 11.454 -1.201 1.360
118 2HB SER 18 1HB SER 18 11.605 -2.475 0.153
119 HG SER 18 HG SER 18 12.632 -0.414 -0.369
120 H GLY 19 H GLY 19 8.512 -3.568 -0.842
121 1HA GLY 19 2HA GLY 19 8.211 -5.802 0.053
122 2HA GLY 19 1HA GLY 19 8.434 -5.152 1.676
123 H TYR 20 H TYR 20 6.498 -2.879 0.490
124 HA TYR 20 HA TYR 20 3.976 -4.399 1.061
125 1HB TYR 20 2HB TYR 20 4.808 -1.580 1.839
126 2HB TYR 20 1HB TYR 20 3.236 -2.300 2.186
127 HD1 TYR 20 HD1 TYR 20 6.654 -1.967 3.259
128 HD2 TYR 20 HD2 TYR 20 3.167 -4.455 3.578
129 HE1 TYR 20 HE1 TYR 20 7.593 -3.017 5.298
130 HE2 TYR 20 HE2 TYR 20 4.105 -5.506 5.619
131 HH TYR 20 HH TYR 20 6.228 -4.351 7.474
132 H ALA 21 H ALA 21 2.252 -3.973 -0.312
133 HA ALA 21 HA ALA 21 2.647 -1.894 -2.442
134 1HB ALA 21 1HB ALA 21 1.479 -3.591 -3.920
135 2HB ALA 21 2HB ALA 21 1.618 -4.744 -2.593
136 3HB ALA 21 3HB ALA 21 3.071 -4.097 -3.355
137 H CYS 22 H CYS 22 0.718 -0.814 -3.088
138 HA CYS 22 HA CYS 22 -1.322 -0.445 -1.122
139 1HB CYS 22 2HB CYS 22 -0.461 0.876 -3.302
140 2HB CYS 22 1HB CYS 22 -1.878 0.095 -4.005
141 H ASN 23 H ASN 23 -3.426 -1.301 -0.958
142 HA ASN 23 HA ASN 23 -4.053 -3.628 -2.754
143 1HB ASN 23 2HB ASN 23 -3.408 -3.792 -0.174
144 2HB ASN 23 1HB ASN 23 -5.106 -3.368 0.037
145 1HD2 ASN 23 1HD2 ASN 23 -2.914 -5.909 -1.029
146 2HD2 ASN 23 2HD2 ASN 23 -4.112 -7.083 -1.299
147 H SER 24 H SER 24 -6.328 -3.952 -3.224
148 HA SER 24 HA SER 24 -7.894 -1.431 -3.271
149 1HB SER 24 2HB SER 24 -8.071 -4.153 -4.575
150 2HB SER 24 1HB SER 24 -9.376 -2.980 -4.718
151 HG SER 24 HG SER 24 -6.927 -3.049 -5.923
152 H ARG 25 H ARG 25 -8.271 -4.822 -2.163
153 HA ARG 25 HA ARG 25 -10.864 -4.468 -0.950
154 1HB ARG 25 2HB ARG 25 -8.584 -6.437 -0.713
155 2HB ARG 25 1HB ARG 25 -10.027 -6.602 0.287
156 1HG ARG 25 2HG ARG 25 -10.766 -6.104 -2.469
157 2HG ARG 25 1HG ARG 25 -9.695 -7.501 -2.363
158 1HD ARG 25 2HD ARG 25 -12.026 -7.216 -0.460
159 2HD ARG 25 1HD ARG 25 -12.244 -7.928 -2.071
160 HE ARG 25 HE ARG 25 -9.999 -8.982 -0.448
161 1HH1 ARG 25 1HH2 ARG 25 -12.660 -9.762 0.757
162 2HH1 ARG 25 2HH2 ARG 25 -12.981 -11.264 -0.045
163 1HH2 ARG 25 2HH1 ARG 25 -10.635 -10.729 -2.554
164 2HH2 ARG 25 1HH1 ARG 25 -11.830 -11.813 -1.925
165 H ASP 26 H ASP 26 -7.544 -4.101 0.249
166 HA ASP 26 HA ASP 26 -8.456 -3.544 3.009
167 1HB ASP 26 2HB ASP 26 -5.779 -3.647 1.592
168 2HB ASP 26 1HB ASP 26 -5.950 -3.278 3.304
169 H LYS 27 H LYS 27 -7.436 -1.813 0.128
170 HA LYS 27 HA LYS 27 -7.447 0.476 -0.394
171 1HB LYS 27 2HB LYS 27 -9.500 -0.012 1.424
172 2HB LYS 27 1HB LYS 27 -8.656 1.379 2.109
173 1HG LYS 27 2HG LYS 27 -9.008 1.578 -0.796
174 2HG LYS 27 1HG LYS 27 -10.538 1.483 0.076
175 1HD LYS 27 2HD LYS 27 -9.951 3.369 1.460
176 2HD LYS 27 1HD LYS 27 -8.305 3.387 0.825
177 1HE LYS 27 2HE LYS 27 -9.104 4.017 -1.388
178 2HE LYS 27 1HE LYS 27 -10.790 3.851 -0.863
179 1HZ LYS 27 1HZ LYS 27 -8.792 5.697 0.341
180 2HZ LYS 27 2HZ LYS 27 -10.417 5.541 0.813
181 3HZ LYS 27 3HZ LYS 27 -10.030 6.161 -0.720
182 H TRP 28 H TRP 28 -5.375 -0.810 1.650
183 HA TRP 28 HA TRP 28 -4.067 1.800 2.218
184 1HB TRP 28 2HB TRP 28 -3.591 1.097 4.536
185 2HB TRP 28 1HB TRP 28 -5.321 1.167 4.243
186 HD1 TRP 28 HD1 TRP 28 -2.809 -1.719 3.515
187 HE1 TRP 28 HE1 TRP 28 -3.698 -3.842 4.669
188 HE3 TRP 28 HE3 TRP 28 -6.925 0.206 5.834
189 HZ2 TRP 28 HZ2 TRP 28 -5.871 -4.622 6.360
190 HZ3 TRP 28 HZ3 TRP 28 -8.386 -1.246 7.213
191 HH2 TRP 28 HH2 TRP 28 -7.865 -3.655 7.480
192 H CYS 29 H CYS 29 -1.760 1.099 3.332
193 HA CYS 29 HA CYS 29 -0.334 -0.302 1.236
194 1HB CYS 29 2HB CYS 29 0.259 0.961 3.887
195 2HB CYS 29 1HB CYS 29 1.489 -0.073 3.160
196 H LYS 30 H LYS 30 -0.646 -2.482 1.026
197 HA LYS 30 HA LYS 30 -0.717 -4.180 3.495
198 1HB LYS 30 2HB LYS 30 -2.425 -3.982 1.347
199 2HB LYS 30 1HB LYS 30 -1.392 -5.322 0.849
200 1HG LYS 30 2HG LYS 30 -1.913 -5.874 3.522
201 2HG LYS 30 1HG LYS 30 -3.446 -5.236 2.931
202 1HD LYS 30 2HD LYS 30 -3.862 -7.135 1.796
203 2HD LYS 30 1HD LYS 30 -2.305 -7.035 0.976
204 1HE LYS 30 2HE LYS 30 -2.089 -9.052 2.169
205 2HE LYS 30 1HE LYS 30 -1.367 -7.892 3.303
206 1HZ LYS 30 1HZ LYS 30 -4.237 -8.671 3.277
207 2HZ LYS 30 2HZ LYS 30 -3.482 -7.638 4.395
208 3HZ LYS 30 3HZ LYS 30 -3.083 -9.288 4.356
209 H VAL 31 H VAL 31 0.232 -6.509 2.885
210 HA VAL 31 HA VAL 31 3.038 -6.100 2.143
211 HB VAL 31 HB VAL 31 2.039 -7.617 3.958
212 1HG1 VAL 31 1HG1 VAL 31 1.097 -9.695 3.373
213 2HG1 VAL 31 2HG1 VAL 31 1.690 -9.601 1.715
214 3HG1 VAL 31 3HG1 VAL 31 0.352 -8.576 2.232
215 1HG2 VAL 31 1HG2 VAL 31 3.821 -9.134 2.054
216 2HG2 VAL 31 2HG2 VAL 31 3.858 -9.113 3.817
217 3HG2 VAL 31 3HG2 VAL 31 4.409 -7.707 2.907
218 H LEU 32 H LEU 32 4.072 -7.544 0.446
219 HA LEU 32 HA LEU 32 2.853 -7.244 -2.119
220 1HB LEU 32 2HB LEU 32 5.280 -8.289 -0.928
221 2HB LEU 32 1HB LEU 32 4.743 -9.339 -2.239
222 HG LEU 32 HG LEU 32 6.249 -7.524 -3.039
223 1HD1 LEU 32 1HD1 LEU 32 3.370 -7.566 -3.955
224 2HD1 LEU 32 2HD1 LEU 32 4.764 -8.354 -4.694
225 3HD1 LEU 32 3HD1 LEU 32 4.593 -6.600 -4.781
226 1HD2 LEU 32 1HD2 LEU 32 5.401 -5.862 -1.297
227 2HD2 LEU 32 2HD2 LEU 32 3.989 -5.637 -2.328
228 3HD2 LEU 32 3HD2 LEU 32 5.593 -5.219 -2.928
229 H LEU 33 H LEU 33 3.349 -10.226 -0.207
230 HA LEU 33 HA LEU 33 0.929 -11.390 -1.540
231 1HB LEU 33 1HB LEU 33 3.719 -12.500 -1.179
232 2HB LEU 33 2HB LEU 33 2.338 -13.561 -1.461
233 HG LEU 33 HG LEU 33 2.238 -11.375 -3.328
234 1HD1 LEU 33 1HD1 LEU 33 4.772 -11.486 -2.765
235 2HD1 LEU 33 2HD1 LEU 33 4.745 -13.019 -3.638
236 3HD1 LEU 33 3HD1 LEU 33 4.296 -11.525 -4.463
237 1HD2 LEU 33 1HD2 LEU 33 1.198 -13.615 -3.578
238 2HD2 LEU 33 2HD2 LEU 33 2.233 -13.220 -4.949
239 3HD2 LEU 33 3HD2 LEU 33 2.804 -14.333 -3.705
240 1HN NH2 34 1HN NH2 34 1.821 -13.649 1.618
241 2HN NH2 34 2HN NH2 34 2.603 -13.607 0.022
Start of MODEL 20
1 1H GLU 1 1H GLU 1 2.040 4.855 -13.266
2 2H GLU 1 2H GLU 1 1.491 3.247 -13.307
3 3H GLU 1 3H GLU 1 2.637 3.727 -12.148
4 HA GLU 1 HA GLU 1 1.043 5.095 -11.014
5 1HB GLU 1 2HB GLU 1 0.059 5.697 -13.315
6 2HB GLU 1 1HB GLU 1 -0.910 4.231 -13.165
7 1HG GLU 1 2HG GLU 1 -2.361 5.274 -11.798
8 2HG GLU 1 1HG GLU 1 -1.055 5.743 -10.710
9 H CYS 2 H CYS 2 1.935 2.782 -10.168
10 HA CYS 2 HA CYS 2 -0.285 1.416 -8.944
11 1HB CYS 2 2HB CYS 2 0.490 0.614 -11.615
12 2HB CYS 2 1HB CYS 2 0.784 -0.711 -10.490
13 H LYS 3 H LYS 3 0.688 0.927 -7.008
14 HA LYS 3 HA LYS 3 3.585 0.452 -6.818
15 1HB LYS 3 2HB LYS 3 1.268 0.515 -4.862
16 2HB LYS 3 1HB LYS 3 2.934 0.221 -4.362
17 1HG LYS 3 2HG LYS 3 2.257 2.622 -6.050
18 2HG LYS 3 1HG LYS 3 2.026 2.667 -4.302
19 1HD LYS 3 2HD LYS 3 4.268 2.670 -3.870
20 2HD LYS 3 1HD LYS 3 4.631 1.586 -5.214
21 1HE LYS 3 2HE LYS 3 4.403 3.419 -6.817
22 2HE LYS 3 1HE LYS 3 3.907 4.524 -5.520
23 1HZ LYS 3 1HZ LYS 3 6.296 4.684 -5.990
24 2HZ LYS 3 2HZ LYS 3 6.485 3.040 -5.607
25 3HZ LYS 3 3HZ LYS 3 6.003 4.145 -4.409
26 H GLY 4 H GLY 4 4.288 -1.511 -5.415
27 1HA GLY 4 2HA GLY 4 2.770 -3.933 -6.313
28 2HA GLY 4 1HA GLY 4 4.525 -3.888 -6.149
29 H PHE 5 H PHE 5 4.941 -5.295 -4.498
30 HA PHE 5 HA PHE 5 3.393 -4.973 -1.946
31 1HB PHE 5 2HB PHE 5 3.078 -7.138 -2.974
32 2HB PHE 5 1HB PHE 5 4.808 -7.316 -3.257
33 HD1 PHE 5 HD1 PHE 5 2.579 -6.493 -0.333
34 HD2 PHE 5 HD2 PHE 5 5.886 -8.791 -1.833
35 HE1 PHE 5 HE1 PHE 5 2.842 -7.569 1.886
36 HE2 PHE 5 HE2 PHE 5 6.147 -9.865 0.386
37 HZ PHE 5 HZ PHE 5 4.625 -9.254 2.245
38 H GLY 6 H GLY 6 4.566 -4.239 -0.210
39 1HA GLY 6 2HA GLY 6 6.430 -3.939 1.219
40 2HA GLY 6 1HA GLY 6 7.415 -4.858 0.081
41 H LYS 7 H LYS 7 5.439 -1.995 -0.660
42 HA LYS 7 HA LYS 7 7.971 -0.533 -1.357
43 1HB LYS 7 2HB LYS 7 5.236 -0.516 -2.682
44 2HB LYS 7 1HB LYS 7 6.608 0.466 -3.192
45 1HG LYS 7 2HG LYS 7 6.619 -2.567 -3.076
46 2HG LYS 7 1HG LYS 7 6.352 -1.625 -4.543
47 1HD LYS 7 2HD LYS 7 8.559 -0.628 -4.375
48 2HD LYS 7 1HD LYS 7 8.828 -1.389 -2.808
49 1HE LYS 7 2HE LYS 7 8.211 -3.083 -5.233
50 2HE LYS 7 1HE LYS 7 9.868 -2.546 -4.897
51 1HZ LYS 7 1HZ LYS 7 8.082 -3.993 -3.007
52 2HZ LYS 7 2HZ LYS 7 9.638 -3.417 -2.636
53 3HZ LYS 7 3HZ LYS 7 9.436 -4.645 -3.792
54 H SER 8 H SER 8 8.207 1.392 -0.290
55 HA SER 8 HA SER 8 6.492 2.319 1.756
56 1HB SER 8 2HB SER 8 8.676 3.487 0.057
57 2HB SER 8 1HB SER 8 7.811 4.536 1.179
58 HG SER 8 HG SER 8 9.518 2.378 1.658
59 H CYS 9 H CYS 9 4.555 3.398 1.697
60 HA CYS 9 HA CYS 9 3.901 5.083 -0.686
61 1HB CYS 9 2HB CYS 9 1.853 3.921 -1.057
62 2HB CYS 9 1HB CYS 9 3.056 2.654 -0.830
63 H VAL 10 H VAL 10 1.459 6.000 -0.080
64 HA VAL 10 HA VAL 10 1.800 7.209 2.639
65 HB VAL 10 HB VAL 10 0.247 8.142 0.200
66 1HG1 VAL 10 1HG1 VAL 10 -0.788 9.243 1.965
67 2HG1 VAL 10 2HG1 VAL 10 0.539 10.356 1.632
68 3HG1 VAL 10 3HG1 VAL 10 0.661 9.214 2.969
69 1HG2 VAL 10 1HG2 VAL 10 2.479 8.403 -0.442
70 2HG2 VAL 10 2HG2 VAL 10 3.032 8.653 1.214
71 3HG2 VAL 10 3HG2 VAL 10 2.173 9.940 0.366
72 HA PRO 11 HA PRO 11 -1.835 4.659 3.477
73 1HB PRO 11 2HB PRO 11 -1.762 5.003 6.191
74 2HB PRO 11 1HB PRO 11 -0.736 3.832 5.339
75 1HG PRO 11 2HG PRO 11 -0.061 6.537 6.378
76 2HG PRO 11 1HG PRO 11 0.910 5.057 6.368
77 1HD PRO 11 2HD PRO 11 1.256 7.101 4.593
78 2HD PRO 11 1HD PRO 11 1.659 5.406 4.235
79 H GLY 12 H GLY 12 -3.939 5.394 3.521
80 1HA GLY 12 2HA GLY 12 -5.703 6.800 4.485
81 2HA GLY 12 1HA GLY 12 -4.495 8.058 4.754
82 H LYS 13 H LYS 13 -3.222 7.936 2.202
83 HA LYS 13 HA LYS 13 -5.226 9.392 0.587
84 1HB LYS 13 2HB LYS 13 -2.238 8.919 0.469
85 2HB LYS 13 1HB LYS 13 -3.097 9.775 -0.810
86 1HG LYS 13 2HG LYS 13 -4.067 11.029 1.430
87 2HG LYS 13 1HG LYS 13 -2.411 10.670 1.917
88 1HD LYS 13 2HD LYS 13 -2.763 11.758 -0.828
89 2HD LYS 13 1HD LYS 13 -3.074 12.876 0.500
90 1HE LYS 13 2HE LYS 13 -0.788 13.190 0.329
91 2HE LYS 13 1HE LYS 13 -0.762 11.767 1.388
92 1HZ LYS 13 1HZ LYS 13 -0.760 11.670 -1.585
93 2HZ LYS 13 2HZ LYS 13 -0.648 10.340 -0.534
94 3HZ LYS 13 3HZ LYS 13 0.617 11.470 -0.617
95 H ASN 14 H ASN 14 -4.266 6.159 0.835
96 HA ASN 14 HA ASN 14 -4.510 4.296 -0.588
97 1HB ASN 14 2HB ASN 14 -6.751 5.677 -0.664
98 2HB ASN 14 1HB ASN 14 -6.247 6.049 -2.314
99 1HD2 ASN 14 1HD2 ASN 14 -8.016 3.821 -0.534
100 2HD2 ASN 14 2HD2 ASN 14 -7.932 2.502 -1.600
101 H GLU 15 H GLU 15 -2.142 5.348 -1.099
102 HA GLU 15 HA GLU 15 -1.939 6.046 -3.991
103 1HB GLU 15 2HB GLU 15 -0.135 6.240 -1.567
104 2HB GLU 15 1HB GLU 15 0.480 6.507 -3.198
105 1HG GLU 15 2HG GLU 15 -1.824 8.041 -3.158
106 2HG GLU 15 1HG GLU 15 -1.186 8.251 -1.526
107 H CYS 16 H CYS 16 -2.614 3.555 -4.129
108 HA CYS 16 HA CYS 16 -0.082 2.038 -4.566
109 1HB CYS 16 2HB CYS 16 -2.264 1.513 -2.623
110 2HB CYS 16 1HB CYS 16 -1.716 0.110 -3.539
111 H CYS 17 H CYS 17 -0.804 -0.193 -5.669
112 HA CYS 17 HA CYS 17 -2.291 0.513 -8.091
113 1HB CYS 17 2HB CYS 17 -0.216 -0.965 -7.839
114 2HB CYS 17 1HB CYS 17 -1.287 -2.196 -7.173
115 H SER 18 H SER 18 -4.140 -0.851 -8.859
116 HA SER 18 HA SER 18 -6.320 -0.987 -7.042
117 1HB SER 18 2HB SER 18 -5.649 -2.123 -9.745
118 2HB SER 18 1HB SER 18 -7.147 -2.611 -8.959
119 HG SER 18 HG SER 18 -6.308 -0.073 -9.837
120 H GLY 19 H GLY 19 -6.707 -2.445 -5.415
121 1HA GLY 19 2HA GLY 19 -7.039 -4.783 -4.726
122 2HA GLY 19 1HA GLY 19 -5.646 -5.223 -5.713
123 H TYR 20 H TYR 20 -3.843 -3.200 -4.902
124 HA TYR 20 HA TYR 20 -3.162 -4.188 -2.185
125 1HB TYR 20 2HB TYR 20 -1.771 -2.879 -4.499
126 2HB TYR 20 1HB TYR 20 -1.048 -2.743 -2.896
127 HD1 TYR 20 HD1 TYR 20 -2.504 -5.283 -5.239
128 HD2 TYR 20 HD2 TYR 20 0.284 -4.486 -2.069
129 HE1 TYR 20 HE1 TYR 20 -1.615 -7.588 -5.440
130 HE2 TYR 20 HE2 TYR 20 1.172 -6.792 -2.271
131 HH TYR 20 HH TYR 20 -0.261 -9.213 -3.516
132 H ALA 21 H ALA 21 -3.116 -2.856 -0.388
133 HA ALA 21 HA ALA 21 -3.861 0.030 -0.776
134 1HB ALA 21 1HB ALA 21 -4.644 -1.967 1.374
135 2HB ALA 21 2HB ALA 21 -5.692 -1.352 0.095
136 3HB ALA 21 3HB ALA 21 -5.116 -0.267 1.360
137 H CYS 22 H CYS 22 -3.095 1.453 1.009
138 HA CYS 22 HA CYS 22 -0.327 0.864 1.751
139 1HB CYS 22 2HB CYS 22 -2.287 3.125 2.008
140 2HB CYS 22 1HB CYS 22 -0.812 3.164 2.974
141 H ASN 23 H ASN 23 0.290 -0.127 3.625
142 HA ASN 23 HA ASN 23 -1.731 -0.639 5.742
143 1HB ASN 23 2HB ASN 23 0.303 -2.091 4.516
144 2HB ASN 23 1HB ASN 23 0.988 -1.682 6.089
145 1HD2 ASN 23 1HD2 ASN 23 0.465 -3.156 7.707
146 2HD2 ASN 23 2HD2 ASN 23 -0.928 -4.126 7.732
147 H SER 24 H SER 24 -1.424 0.029 7.911
148 HA SER 24 HA SER 24 0.303 2.398 8.285
149 1HB SER 24 2HB SER 24 -0.970 2.562 10.396
150 2HB SER 24 1HB SER 24 -2.058 2.320 9.033
151 HG SER 24 HG SER 24 -2.286 0.953 11.035
152 H ARG 25 H ARG 25 0.337 -1.009 9.079
153 HA ARG 25 HA ARG 25 2.063 -0.912 11.387
154 1HB ARG 25 2HB ARG 25 0.635 -2.796 9.911
155 2HB ARG 25 1HB ARG 25 2.318 -3.259 9.651
156 1HG ARG 25 2HG ARG 25 2.214 -2.657 12.370
157 2HG ARG 25 1HG ARG 25 0.685 -3.484 12.065
158 1HD ARG 25 2HD ARG 25 2.031 -5.339 12.417
159 2HD ARG 25 1HD ARG 25 2.331 -5.121 10.680
160 HE ARG 25 HE ARG 25 4.173 -3.425 11.869
161 1HH1 ARG 25 2HH1 ARG 25 5.204 -5.721 10.386
162 2HH1 ARG 25 1HH1 ARG 25 5.970 -6.685 11.605
163 1HH2 ARG 25 1HH2 ARG 25 4.336 -5.116 14.241
164 2HH2 ARG 25 2HH2 ARG 25 5.476 -6.341 13.796
165 H ASP 26 H ASP 26 2.746 -1.479 7.911
166 HA ASP 26 HA ASP 26 5.658 -1.045 8.467
167 1HB ASP 26 2HB ASP 26 4.021 -2.534 6.438
168 2HB ASP 26 1HB ASP 26 5.662 -2.039 6.020
169 H LYS 27 H LYS 27 2.960 0.638 7.288
170 HA LYS 27 HA LYS 27 2.721 2.629 6.060
171 1HB LYS 27 2HB LYS 27 5.062 2.705 7.630
172 2HB LYS 27 1HB LYS 27 5.532 3.370 6.066
173 1HG LYS 27 2HG LYS 27 4.414 5.280 6.485
174 2HG LYS 27 1HG LYS 27 2.935 4.384 6.829
175 1HD LYS 27 2HD LYS 27 4.195 3.848 9.107
176 2HD LYS 27 1HD LYS 27 5.056 5.337 8.714
177 1HE LYS 27 2HE LYS 27 2.980 6.593 8.620
178 2HE LYS 27 1HE LYS 27 2.026 5.107 8.797
179 1HZ LYS 27 1HZ LYS 27 2.343 6.243 10.934
180 2HZ LYS 27 2HZ LYS 27 4.027 6.098 10.766
181 3HZ LYS 27 3HZ LYS 27 3.062 4.707 10.930
182 H TRP 28 H TRP 28 3.128 0.233 4.512
183 HA TRP 28 HA TRP 28 4.389 1.438 2.088
184 1HB TRP 28 2HB TRP 28 5.575 -0.658 1.665
185 2HB TRP 28 1HB TRP 28 6.006 -0.040 3.252
186 HD1 TRP 28 HD1 TRP 28 2.650 -1.516 3.543
187 HE1 TRP 28 HE1 TRP 28 2.779 -3.899 4.503
188 HE3 TRP 28 HE3 TRP 28 7.649 -2.390 3.038
189 HZ2 TRP 28 HZ2 TRP 28 4.747 -5.917 4.993
190 HZ3 TRP 28 HZ3 TRP 28 8.628 -4.549 3.759
191 HH2 TRP 28 HH2 TRP 28 7.184 -6.313 4.735
192 H CYS 29 H CYS 29 3.979 -0.535 0.270
193 HA CYS 29 HA CYS 29 1.030 -0.596 0.053
194 1HB CYS 29 2HB CYS 29 2.894 0.041 -1.708
195 2HB CYS 29 1HB CYS 29 2.961 -1.703 -1.965
196 H LYS 30 H LYS 30 -0.083 -2.373 0.705
197 HA LYS 30 HA LYS 30 1.230 -5.062 0.508
198 1HB LYS 30 2HB LYS 30 0.790 -3.650 2.828
199 2HB LYS 30 1HB LYS 30 -0.684 -4.613 2.716
200 1HG LYS 30 2HG LYS 30 1.645 -6.214 2.055
201 2HG LYS 30 1HG LYS 30 1.820 -5.482 3.649
202 1HD LYS 30 2HD LYS 30 -0.800 -6.749 2.926
203 2HD LYS 30 1HD LYS 30 0.553 -7.788 3.374
204 1HE LYS 30 2HE LYS 30 0.086 -7.365 5.550
205 2HE LYS 30 1HE LYS 30 0.506 -5.664 5.270
206 1HZ LYS 30 1HZ LYS 30 -2.141 -6.909 4.723
207 2HZ LYS 30 2HZ LYS 30 -1.732 -5.286 4.426
208 3HZ LYS 30 3HZ LYS 30 -1.788 -5.872 6.019
209 H VAL 31 H VAL 31 -0.345 -6.826 0.239
210 HA VAL 31 HA VAL 31 -2.548 -6.160 -1.498
211 HB VAL 31 HB VAL 31 -1.182 -8.281 -1.457
212 1HG1 VAL 31 1HG1 VAL 31 -1.478 -9.919 0.205
213 2HG1 VAL 31 2HG1 VAL 31 -2.973 -9.188 0.791
214 3HG1 VAL 31 3HG1 VAL 31 -1.422 -8.420 1.133
215 1HG2 VAL 31 1HG2 VAL 31 -4.032 -7.963 -1.808
216 2HG2 VAL 31 2HG2 VAL 31 -3.677 -9.595 -1.244
217 3HG2 VAL 31 3HG2 VAL 31 -2.913 -8.985 -2.712
218 H LEU 32 H LEU 32 -4.728 -5.907 -1.033
219 HA LEU 32 HA LEU 32 -5.498 -5.911 1.865
220 1HB LEU 32 2HB LEU 32 -5.533 -3.748 0.702
221 2HB LEU 32 1HB LEU 32 -6.567 -4.421 -0.556
222 HG LEU 32 HG LEU 32 -7.705 -4.909 2.070
223 1HD1 LEU 32 1HD1 LEU 32 -7.269 -2.009 1.294
224 2HD1 LEU 32 2HD1 LEU 32 -6.448 -2.825 2.625
225 3HD1 LEU 32 3HD1 LEU 32 -8.196 -2.592 2.676
226 1HD2 LEU 32 1HD2 LEU 32 -9.176 -5.039 0.254
227 2HD2 LEU 32 2HD2 LEU 32 -8.488 -3.618 -0.532
228 3HD2 LEU 32 3HD2 LEU 32 -9.528 -3.428 0.879
229 H LEU 33 H LEU 33 -7.143 -7.269 2.506
230 HA LEU 33 HA LEU 33 -8.721 -8.674 0.368
231 1HB LEU 33 1HB LEU 33 -7.495 -9.629 2.969
232 2HB LEU 33 2HB LEU 33 -8.690 -10.575 2.081
233 HG LEU 33 HG LEU 33 -6.714 -9.697 0.213
234 1HD1 LEU 33 1HD1 LEU 33 -5.657 -10.728 2.837
235 2HD1 LEU 33 2HD1 LEU 33 -4.814 -11.100 1.333
236 3HD1 LEU 33 3HD1 LEU 33 -5.034 -9.422 1.829
237 1HD2 LEU 33 1HD2 LEU 33 -8.250 -11.849 0.499
238 2HD2 LEU 33 2HD2 LEU 33 -6.725 -11.942 -0.382
239 3HD2 LEU 33 3HD2 LEU 33 -6.811 -12.492 1.291
240 1HN NH2 34 1HN NH2 34 -10.340 -6.448 3.154
241 2HN NH2 34 2HN NH2 34 -8.725 -6.414 2.414