NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
551065 |
2lt8   |
18463 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -1.628 1.408 2.137
2 H2 GLY 1 H2 GLY 1 -1.831 0.090 1.166
3 HA2 GLY 1 HA2 GLY 1 -0.364 1.672 0.145
4 HA3 GLY 1 HA3 GLY 1 0.687 1.542 1.572
5 H PHE 2 H PHE 2 2.115 0.985 -0.498
6 HA PHE 2 HA PHE 2 3.326 -0.588 -1.620
7 HB2 PHE 2 HB2 PHE 2 2.498 -2.482 0.588
8 HB3 PHE 2 HB3 PHE 2 3.953 -2.552 -0.410
9 HD1 PHE 2 HD2 PHE 2 5.529 -0.425 -0.275
10 HD2 PHE 2 HD1 PHE 2 2.597 -1.477 2.695
11 HE1 PHE 2 HE2 PHE 2 6.720 0.991 1.393
12 HE2 PHE 2 HE1 PHE 2 3.788 -0.072 4.376
13 HZ PHE 2 HZ PHE 2 5.843 1.181 3.721
14 H GLY 3 H GLY 3 0.855 -0.266 -2.732
15 HA2 GLY 3 HA2 GLY 3 -0.201 -1.302 -4.510
16 HA3 GLY 3 HA3 GLY 3 0.542 -2.837 -4.053
17 H CYS 4 H CYS 4 -0.666 -2.154 -1.194
18 HA CYS 4 HA CYS 4 -3.220 -3.465 -1.905
19 HB2 CYS 4 HB2 CYS 4 -1.173 -3.992 0.028
20 HB3 CYS 4 HB3 CYS 4 -2.729 -3.770 0.850
21 HA PRO 5 HA PRO 5 -5.230 -4.095 -0.777
22 HB2 PRO 5 HB2 PRO 5 -7.762 -3.268 -1.369
23 HB3 PRO 5 HB3 PRO 5 -7.175 -3.427 0.314
24 HG2 PRO 5 HG2 PRO 5 -7.327 -0.967 -1.406
25 HG3 PRO 5 HG3 PRO 5 -7.914 -1.209 0.270
26 HD2 PRO 5 HD2 PRO 5 -5.531 -0.032 -0.263
27 HD3 PRO 5 HD3 PRO 5 -5.758 -1.104 1.159
28 H GLY 6 H GLY 6 -5.413 -5.130 -2.747
29 HA2 GLY 6 HA2 GLY 6 -6.330 -4.595 -5.147
30 HA3 GLY 6 HA3 GLY 6 -4.999 -3.425 -5.140
31 H ASP 7 H ASP 7 -2.826 -4.403 -4.382
32 HA ASP 7 HA ASP 7 -2.525 -7.122 -5.614
33 HB2 ASP 7 HB2 ASP 7 -1.603 -5.411 -7.079
34 HB3 ASP 7 HB3 ASP 7 -0.657 -4.745 -5.734
35 H ALA 8 H ALA 8 -1.834 -8.611 -4.300
36 HA ALA 8 HA ALA 8 -0.615 -7.920 -1.727
37 HB1 ALA 8 HB1 ALA 8 -0.699 -10.352 -1.325
38 HB2 ALA 8 HB2 ALA 8 -2.271 -9.749 -1.896
39 HB3 ALA 8 HB3 ALA 8 -1.192 -10.626 -3.012
40 H TYR 9 H TYR 9 0.545 -8.700 -4.951
41 HA TYR 9 HA TYR 9 2.959 -10.044 -4.109
42 HB2 TYR 9 HB2 TYR 9 2.106 -10.253 -6.388
43 HB3 TYR 9 HB3 TYR 9 2.321 -8.518 -6.655
44 HD1 TYR 9 HD1 TYR 9 4.207 -11.687 -5.963
45 HD2 TYR 9 HD2 TYR 9 4.411 -7.608 -7.319
46 HE1 TYR 9 HE1 TYR 9 6.586 -12.029 -6.665
47 HE2 TYR 9 HE2 TYR 9 6.768 -7.964 -8.019
48 HH TYR 9 HH TYR 9 8.595 -9.337 -7.820
49 H GLN 10 H GLN 10 2.285 -6.604 -4.987
50 HA GLN 10 HA GLN 10 4.961 -5.716 -4.509
51 HB2 GLN 10 HB2 GLN 10 3.100 -4.497 -5.676
52 HB3 GLN 10 HB3 GLN 10 2.381 -4.170 -4.102
53 HG2 GLN 10 HG2 GLN 10 4.452 -2.941 -3.447
54 HG3 GLN 10 HG3 GLN 10 5.104 -3.241 -5.070
55 HE21 GLN 10 HE21 GLN 10 3.048 -2.763 -6.737
56 HE22 GLN 10 HE22 GLN 10 2.496 -1.113 -6.582
57 H CYS 11 H CYS 11 2.200 -6.224 -2.335
58 HA CYS 11 HA CYS 11 3.333 -5.044 0.013
59 HB2 CYS 11 HB2 CYS 11 0.940 -5.727 -0.317
60 HB3 CYS 11 HB3 CYS 11 1.449 -7.416 -0.220
61 H SER 12 H SER 12 3.478 -8.324 -1.391
62 HA SER 12 HA SER 12 5.065 -9.510 0.682
63 HB2 SER 12 HB2 SER 12 3.789 -10.802 -1.000
64 HB3 SER 12 HB3 SER 12 4.850 -10.191 -2.277
65 HG SER 12 HG SER 12 5.539 -12.222 -1.619
66 H GLU 13 H GLU 13 6.009 -7.906 -2.424
67 HA GLU 13 HA GLU 13 8.766 -8.370 -2.114
68 HB2 GLU 13 HB2 GLU 13 7.252 -6.152 -3.496
69 HB3 GLU 13 HB3 GLU 13 9.017 -6.269 -3.526
70 HG2 GLU 13 HG2 GLU 13 8.770 -8.585 -4.468
71 HG3 GLU 13 HG3 GLU 13 7.038 -8.256 -4.642
72 H HIS 14 H HIS 14 6.706 -5.703 -0.946
73 HA HIS 14 HA HIS 14 8.794 -4.124 0.180
74 HB2 HIS 14 HB2 HIS 14 6.648 -3.137 0.045
75 HB3 HIS 14 HB3 HIS 14 5.868 -4.510 0.825
76 HD1 HIS 14 HD1 HIS 14 8.539 -1.951 1.896
77 HD2 HIS 14 HD2 HIS 14 5.225 -3.999 3.365
78 HE1 HIS 14 HE1 HIS 14 8.198 -1.179 4.280
79 H CYS 15 H CYS 15 6.826 -6.764 1.633
80 HA CYS 15 HA CYS 15 8.134 -6.645 4.170
81 HB2 CYS 15 HB2 CYS 15 6.566 -8.757 2.703
82 HB3 CYS 15 HB3 CYS 15 7.312 -9.089 4.274
83 H ARG 16 H ARG 16 8.837 -8.630 1.256
84 HA ARG 16 HA ARG 16 10.971 -10.124 2.466
85 HB2 ARG 16 HB2 ARG 16 10.451 -9.283 -0.405
86 HB3 ARG 16 HB3 ARG 16 11.750 -10.392 0.067
87 HG2 ARG 16 HG2 ARG 16 10.212 -12.056 0.800
88 HG3 ARG 16 HG3 ARG 16 8.860 -10.924 0.798
89 HD2 ARG 16 HD2 ARG 16 8.638 -12.351 -1.126
90 HD3 ARG 16 HD3 ARG 16 9.059 -10.722 -1.676
91 HE ARG 16 HE ARG 16 11.141 -11.489 -2.404
92 HH11 ARG 16 HH11 ARG 16 9.498 -14.107 -0.674
93 HH12 ARG 16 HH12 ARG 16 10.643 -15.303 -1.230
94 HH21 ARG 16 HH21 ARG 16 12.547 -13.073 -3.065
95 HH22 ARG 16 HH22 ARG 16 12.329 -14.723 -2.554
96 H ALA 17 H ALA 17 10.912 -6.900 0.946
97 HA ALA 17 HA ALA 17 13.738 -6.545 0.908
98 HB1 ALA 17 HB1 ALA 17 13.224 -4.171 0.574
99 HB2 ALA 17 HB2 ALA 17 12.141 -5.183 -0.416
100 HB3 ALA 17 HB3 ALA 17 11.546 -4.447 1.093
101 H LEU 18 H LEU 18 11.330 -6.117 3.470
102 HA LEU 18 HA LEU 18 13.018 -4.529 5.198
103 HB2 LEU 18 HB2 LEU 18 10.696 -6.377 5.837
104 HB3 LEU 18 HB3 LEU 18 11.472 -5.317 7.000
105 HG LEU 18 HG LEU 18 9.997 -4.338 4.548
106 HD11 LEU 18 HD11 LEU 18 9.125 -4.479 7.456
107 HD12 LEU 18 HD12 LEU 18 8.502 -5.483 6.124
108 HD13 LEU 18 HD13 LEU 18 8.210 -3.738 6.121
109 HD21 LEU 18 HD21 LEU 18 10.046 -2.159 5.743
110 HD22 LEU 18 HD22 LEU 18 11.668 -2.724 5.302
111 HD23 LEU 18 HD23 LEU 18 11.099 -2.878 6.981
112 H GLY 19 H GLY 19 13.046 -7.884 4.333
113 HA2 GLY 19 HA2 GLY 19 15.411 -8.441 5.717
114 HA3 GLY 19 HA3 GLY 19 14.090 -8.922 6.800
115 H GLY 20 H GLY 20 16.205 -10.239 4.765
116 HA2 GLY 20 HA2 GLY 20 14.664 -11.657 2.883
117 HA3 GLY 20 HA3 GLY 20 16.260 -12.120 3.471
118 H GLY 21 H GLY 21 14.799 -12.189 6.234
119 HA2 GLY 21 HA2 GLY 21 14.293 -15.039 6.188
120 HA3 GLY 21 HA3 GLY 21 14.016 -13.939 7.557
121 H ARG 22 H ARG 22 12.367 -12.147 5.721
122 HA ARG 22 HA ARG 22 9.862 -13.459 6.145
123 HB2 ARG 22 HB2 ARG 22 10.570 -10.822 4.855
124 HB3 ARG 22 HB3 ARG 22 8.916 -11.387 5.110
125 HG2 ARG 22 HG2 ARG 22 9.110 -11.233 7.464
126 HG3 ARG 22 HG3 ARG 22 10.880 -11.071 7.393
127 HD2 ARG 22 HD2 ARG 22 10.637 -8.891 6.273
128 HD3 ARG 22 HD3 ARG 22 8.879 -9.040 6.375
129 HE ARG 22 HE ARG 22 8.979 -8.721 8.711
130 HH11 ARG 22 HH11 ARG 22 12.183 -8.511 7.296
131 HH12 ARG 22 HH12 ARG 22 12.858 -7.724 8.697
132 HH21 ARG 22 HH21 ARG 22 9.904 -7.740 10.484
133 HH22 ARG 22 HH22 ARG 22 11.592 -7.313 10.472
134 H THR 23 H THR 23 8.809 -14.659 4.670
135 HA THR 23 HA THR 23 10.084 -14.944 2.025
136 HB THR 23 HB THR 23 8.370 -16.802 1.778
137 HG1 THR 23 HG1 THR 23 7.830 -17.100 4.379
138 HG21 THR 23 HG21 THR 23 9.474 -18.312 3.383
139 HG22 THR 23 HG22 THR 23 10.145 -16.922 4.261
140 HG23 THR 23 HG23 THR 23 10.671 -17.258 2.594
141 H GLY 24 H GLY 24 7.508 -13.260 3.519
142 HA2 GLY 24 HA2 GLY 24 6.858 -11.833 1.207
143 HA3 GLY 24 HA3 GLY 24 5.705 -13.168 1.322
144 H GLY 25 H GLY 25 3.948 -11.778 1.650
145 HA2 GLY 25 HA2 GLY 25 3.433 -11.169 4.399
146 HA3 GLY 25 HA3 GLY 25 3.761 -9.686 3.480
147 H TYR 26 H TYR 26 1.323 -10.032 4.621
148 HA TYR 26 HA TYR 26 -0.446 -10.489 2.256
149 HB2 TYR 26 HB2 TYR 26 -1.078 -11.269 5.129
150 HB3 TYR 26 HB3 TYR 26 -2.108 -11.518 3.711
151 HD1 TYR 26 HD2 TYR 26 -0.908 -12.939 1.730
152 HD2 TYR 26 HD1 TYR 26 0.214 -13.073 5.885
153 HE1 TYR 26 HE2 TYR 26 0.184 -15.153 1.371
154 HE2 TYR 26 HE1 TYR 26 1.287 -15.294 5.516
155 HH TYR 26 HH TYR 26 1.852 -16.898 4.002
156 H CYS 27 H CYS 27 -2.551 -9.332 2.526
157 HA CYS 27 HA CYS 27 -2.044 -6.735 3.872
158 HB2 CYS 27 HB2 CYS 27 -4.128 -7.396 1.781
159 HB3 CYS 27 HB3 CYS 27 -3.567 -5.795 2.297
160 H ALA 28 H ALA 28 -3.340 -5.953 5.417
161 HA ALA 28 HA ALA 28 -6.005 -7.164 5.893
162 HB1 ALA 28 HB1 ALA 28 -5.535 -7.417 8.313
163 HB2 ALA 28 HB2 ALA 28 -4.396 -8.419 7.387
164 HB3 ALA 28 HB3 ALA 28 -3.860 -6.863 8.068
165 H GLY 29 H GLY 29 -6.756 -5.583 8.069
166 HA2 GLY 29 HA2 GLY 29 -5.594 -2.963 7.862
167 HA3 GLY 29 HA3 GLY 29 -7.089 -3.067 6.921
168 HA PRO 30 HA PRO 30 -8.053 -1.965 11.426
169 HB2 PRO 30 HB2 PRO 30 -9.284 0.382 10.044
170 HB3 PRO 30 HB3 PRO 30 -8.237 0.356 11.498
171 HG2 PRO 30 HG2 PRO 30 -7.315 1.285 9.208
172 HG3 PRO 30 HG3 PRO 30 -6.293 0.208 10.217
173 HD2 PRO 30 HD2 PRO 30 -7.989 -0.511 7.819
174 HD3 PRO 30 HD3 PRO 30 -6.253 -0.876 8.141
175 H TRP 31 H TRP 31 -10.235 -1.132 12.160
176 HA TRP 31 HA TRP 31 -12.370 -2.796 11.249
177 HB2 TRP 31 HB2 TRP 31 -12.515 -0.237 12.879
178 HB3 TRP 31 HB3 TRP 31 -13.733 -1.522 12.814
179 HD1 TRP 31 HD1 TRP 31 -10.811 -0.447 14.822
180 HE1 TRP 31 HE1 TRP 31 -10.054 -2.238 16.463
181 HE3 TRP 31 HE3 TRP 31 -13.475 -4.358 12.874
182 HZ2 TRP 31 HZ2 TRP 31 -10.543 -5.015 16.898
183 HZ3 TRP 31 HZ3 TRP 31 -13.279 -6.600 13.965
184 HH2 TRP 31 HH2 TRP 31 -11.827 -6.914 15.969
185 H TYR 32 H TYR 32 -11.095 -0.282 9.573
186 HA TYR 32 HA TYR 32 -13.615 0.297 8.158
187 HB2 TYR 32 HB2 TYR 32 -12.898 2.761 8.120
188 HB3 TYR 32 HB3 TYR 32 -13.583 2.168 9.636
189 HD1 TYR 32 HD1 TYR 32 -10.350 3.054 7.966
190 HD2 TYR 32 HD2 TYR 32 -12.327 2.184 11.683
191 HE1 TYR 32 HE1 TYR 32 -8.339 3.828 9.212
192 HE2 TYR 32 HE2 TYR 32 -10.297 2.940 12.926
193 HH TYR 32 HH TYR 32 -8.190 3.820 12.771
194 H LEU 33 H LEU 33 -13.113 1.367 6.079
195 HA LEU 33 HA LEU 33 -12.118 1.331 4.036
196 HB2 LEU 33 HB2 LEU 33 -9.480 1.219 5.535
197 HB3 LEU 33 HB3 LEU 33 -9.661 1.531 3.818
198 HG LEU 33 HG LEU 33 -10.820 3.338 5.953
199 HD11 LEU 33 HD11 LEU 33 -8.206 3.585 4.407
200 HD12 LEU 33 HD12 LEU 33 -8.361 3.211 6.143
201 HD13 LEU 33 HD13 LEU 33 -8.885 4.789 5.526
202 HD21 LEU 33 HD21 LEU 33 -11.908 3.584 3.777
203 HD22 LEU 33 HD22 LEU 33 -10.327 3.721 2.973
204 HD23 LEU 33 HD23 LEU 33 -10.872 4.986 4.098
205 H GLY 34 H GLY 34 -9.862 -0.136 3.080
206 HA2 GLY 34 HA2 GLY 34 -11.112 -2.821 3.178
207 HA3 GLY 34 HA3 GLY 34 -10.020 -2.212 1.931
208 H HIS 35 H HIS 35 -7.964 -2.875 1.979
209 HA HIS 35 HA HIS 35 -6.912 -3.917 4.564
210 HB2 HIS 35 HB2 HIS 35 -6.303 -5.057 1.817
211 HB3 HIS 35 HB3 HIS 35 -5.741 -5.661 3.382
212 HD1 HIS 35 HD1 HIS 35 -8.686 -5.775 1.067
213 HD2 HIS 35 HD2 HIS 35 -7.687 -6.996 4.920
214 HE1 HIS 35 HE1 HIS 35 -10.480 -7.394 1.809
215 HA PRO 36 HA PRO 36 -4.058 -0.782 2.604
216 HB2 PRO 36 HB2 PRO 36 -4.227 0.638 5.225
217 HB3 PRO 36 HB3 PRO 36 -4.410 1.294 3.571
218 HG2 PRO 36 HG2 PRO 36 -6.514 1.070 5.185
219 HG3 PRO 36 HG3 PRO 36 -6.652 0.639 3.448
220 HD2 PRO 36 HD2 PRO 36 -6.186 -1.186 5.810
221 HD3 PRO 36 HD3 PRO 36 -7.427 -1.291 4.518
222 H THR 37 H THR 37 -4.028 -2.551 5.628
223 HA THR 37 HA THR 37 -1.286 -1.727 6.306
224 HB THR 37 HB THR 37 -3.248 -3.638 7.672
225 HG1 THR 37 HG1 THR 37 -3.286 -1.758 9.148
226 HG21 THR 37 HG21 THR 37 -0.951 -4.157 8.371
227 HG22 THR 37 HG22 THR 37 -1.775 -3.271 9.670
228 HG23 THR 37 HG23 THR 37 -0.611 -2.430 8.628
229 H CYS 38 H CYS 38 0.403 -2.744 5.416
230 HA CYS 38 HA CYS 38 0.172 -5.538 4.508
231 HB2 CYS 38 HB2 CYS 38 2.310 -3.415 4.454
232 HB3 CYS 38 HB3 CYS 38 2.772 -5.117 4.309
233 H THR 39 H THR 39 0.695 -7.255 5.707
234 HA THR 39 HA THR 39 2.190 -6.833 8.236
235 HB THR 39 HB THR 39 -0.088 -8.802 7.769
236 HG1 THR 39 HG1 THR 39 -0.779 -6.610 7.886
237 HG21 THR 39 HG21 THR 39 1.398 -7.978 10.298
238 HG22 THR 39 HG22 THR 39 1.547 -9.552 9.468
239 HG23 THR 39 HG23 THR 39 0.009 -9.084 10.225
240 H CYS 40 H CYS 40 3.944 -8.277 8.381
241 HA CYS 40 HA CYS 40 4.420 -9.668 5.831
242 HB2 CYS 40 HB2 CYS 40 6.294 -9.033 8.124
243 HB3 CYS 40 HB3 CYS 40 6.764 -9.689 6.547
244 H SER 41 H SER 41 5.351 -11.700 5.626
245 HA SER 41 HA SER 41 4.710 -13.560 7.886
246 HB2 SER 41 HB2 SER 41 3.116 -13.580 5.901
247 HB3 SER 41 HB3 SER 41 4.482 -14.112 4.901
248 HG SER 41 HG SER 41 4.642 -15.983 6.190
249 H PHE 42 H PHE 42 5.988 -15.463 7.934
250 HA PHE 42 HA PHE 42 8.616 -15.287 6.519
251 HB2 PHE 42 HB2 PHE 42 7.973 -16.364 9.297
252 HB3 PHE 42 HB3 PHE 42 9.541 -16.487 8.492
253 HD1 PHE 42 HD2 PHE 42 7.083 -14.052 9.938
254 HD2 PHE 42 HD1 PHE 42 11.121 -14.702 8.602
255 HE1 PHE 42 HE2 PHE 42 7.753 -11.866 10.922
256 HE2 PHE 42 HE1 PHE 42 11.805 -12.523 9.593
257 HZ PHE 42 HZ PHE 42 10.121 -11.094 10.755
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -1.326 1.303 2.021
2 H2 GLY 1 H2 GLY 1 -1.588 0.010 1.033
3 HA2 GLY 1 HA2 GLY 1 -0.163 1.572 -0.050
4 HA3 GLY 1 HA3 GLY 1 0.943 1.469 1.334
5 H PHE 2 H PHE 2 2.209 0.925 -0.907
6 HA PHE 2 HA PHE 2 3.328 -0.643 -2.124
7 HB2 PHE 2 HB2 PHE 2 2.963 -2.281 0.395
8 HB3 PHE 2 HB3 PHE 2 4.093 -2.635 -0.917
9 HD1 PHE 2 HD2 PHE 2 5.868 -0.904 -1.515
10 HD2 PHE 2 HD1 PHE 2 3.596 -0.771 2.136
11 HE1 PHE 2 HE2 PHE 2 7.575 0.602 -0.521
12 HE2 PHE 2 HE1 PHE 2 5.298 0.751 3.144
13 HZ PHE 2 HZ PHE 2 7.293 1.441 1.816
14 H GLY 3 H GLY 3 0.842 -0.509 -3.026
15 HA2 GLY 3 HA2 GLY 3 -0.248 -1.703 -4.685
16 HA3 GLY 3 HA3 GLY 3 0.503 -3.194 -4.105
17 H CYS 4 H CYS 4 -0.496 -2.396 -1.286
18 HA CYS 4 HA CYS 4 -3.123 -3.671 -1.776
19 HB2 CYS 4 HB2 CYS 4 -1.015 -4.120 0.099
20 HB3 CYS 4 HB3 CYS 4 -2.521 -3.772 0.975
21 HA PRO 5 HA PRO 5 -5.062 -4.190 -0.584
22 HB2 PRO 5 HB2 PRO 5 -7.630 -3.437 -1.053
23 HB3 PRO 5 HB3 PRO 5 -6.927 -3.452 0.597
24 HG2 PRO 5 HG2 PRO 5 -7.250 -1.145 -1.299
25 HG3 PRO 5 HG3 PRO 5 -7.705 -1.258 0.430
26 HD2 PRO 5 HD2 PRO 5 -5.382 -0.103 -0.402
27 HD3 PRO 5 HD3 PRO 5 -5.503 -1.013 1.139
28 H GLY 6 H GLY 6 -5.386 -5.345 -2.475
29 HA2 GLY 6 HA2 GLY 6 -6.502 -5.045 -4.791
30 HA3 GLY 6 HA3 GLY 6 -5.284 -3.774 -4.996
31 H ASP 7 H ASP 7 -2.975 -4.553 -4.335
32 HA ASP 7 HA ASP 7 -2.550 -7.238 -5.604
33 HB2 ASP 7 HB2 ASP 7 -1.739 -5.449 -7.035
34 HB3 ASP 7 HB3 ASP 7 -0.847 -4.733 -5.680
35 H ALA 8 H ALA 8 -1.568 -8.723 -4.455
36 HA ALA 8 HA ALA 8 -0.392 -7.993 -1.861
37 HB1 ALA 8 HB1 ALA 8 -0.381 -10.419 -1.447
38 HB2 ALA 8 HB2 ALA 8 -1.989 -9.867 -1.973
39 HB3 ALA 8 HB3 ALA 8 -0.920 -10.716 -3.119
40 H TYR 9 H TYR 9 0.696 -8.610 -5.107
41 HA TYR 9 HA TYR 9 3.141 -9.981 -4.468
42 HB2 TYR 9 HB2 TYR 9 2.101 -9.865 -6.731
43 HB3 TYR 9 HB3 TYR 9 2.545 -8.159 -6.824
44 HD1 TYR 9 HD1 TYR 9 3.857 -11.632 -6.802
45 HD2 TYR 9 HD2 TYR 9 4.856 -7.466 -7.235
46 HE1 TYR 9 HE1 TYR 9 6.107 -12.255 -7.693
47 HE2 TYR 9 HE2 TYR 9 7.086 -8.100 -8.131
48 HH TYR 9 HH TYR 9 8.522 -9.772 -8.610
49 H GLN 10 H GLN 10 2.469 -6.502 -5.157
50 HA GLN 10 HA GLN 10 5.138 -5.641 -4.589
51 HB2 GLN 10 HB2 GLN 10 3.313 -4.422 -5.815
52 HB3 GLN 10 HB3 GLN 10 2.554 -4.084 -4.263
53 HG2 GLN 10 HG2 GLN 10 4.559 -2.822 -3.558
54 HG3 GLN 10 HG3 GLN 10 5.319 -3.186 -5.118
55 HE21 GLN 10 HE21 GLN 10 3.621 -2.689 -7.015
56 HE22 GLN 10 HE22 GLN 10 2.965 -1.072 -6.939
57 H CYS 11 H CYS 11 2.356 -6.263 -2.505
58 HA CYS 11 HA CYS 11 3.406 -5.068 -0.113
59 HB2 CYS 11 HB2 CYS 11 1.026 -5.759 -0.521
60 HB3 CYS 11 HB3 CYS 11 1.538 -7.444 -0.418
61 H SER 12 H SER 12 3.634 -8.332 -1.557
62 HA SER 12 HA SER 12 5.173 -9.518 0.560
63 HB2 SER 12 HB2 SER 12 3.989 -10.821 -1.186
64 HB3 SER 12 HB3 SER 12 5.079 -10.161 -2.419
65 HG SER 12 HG SER 12 5.785 -12.188 -1.751
66 H GLU 13 H GLU 13 6.133 -7.840 -2.489
67 HA GLU 13 HA GLU 13 8.899 -8.221 -2.194
68 HB2 GLU 13 HB2 GLU 13 7.325 -5.935 -3.412
69 HB3 GLU 13 HB3 GLU 13 9.080 -6.075 -3.525
70 HG2 GLU 13 HG2 GLU 13 8.854 -8.214 -4.705
71 HG3 GLU 13 HG3 GLU 13 7.094 -8.086 -4.607
72 H HIS 14 H HIS 14 6.775 -5.636 -0.938
73 HA HIS 14 HA HIS 14 8.822 -4.078 0.281
74 HB2 HIS 14 HB2 HIS 14 6.619 -3.169 0.058
75 HB3 HIS 14 HB3 HIS 14 5.895 -4.521 0.928
76 HD1 HIS 14 HD1 HIS 14 8.620 -1.952 1.848
77 HD2 HIS 14 HD2 HIS 14 5.213 -3.779 3.393
78 HE1 HIS 14 HE1 HIS 14 8.276 -1.018 4.175
79 H CYS 15 H CYS 15 6.825 -6.753 1.640
80 HA CYS 15 HA CYS 15 8.043 -6.655 4.223
81 HB2 CYS 15 HB2 CYS 15 6.596 -8.790 2.655
82 HB3 CYS 15 HB3 CYS 15 7.294 -9.130 4.247
83 H ARG 16 H ARG 16 8.892 -8.563 1.300
84 HA ARG 16 HA ARG 16 10.998 -10.042 2.568
85 HB2 ARG 16 HB2 ARG 16 10.508 -9.220 -0.314
86 HB3 ARG 16 HB3 ARG 16 11.821 -10.306 0.176
87 HG2 ARG 16 HG2 ARG 16 10.318 -12.000 0.874
88 HG3 ARG 16 HG3 ARG 16 8.950 -10.885 0.942
89 HD2 ARG 16 HD2 ARG 16 8.670 -12.262 -0.997
90 HD3 ARG 16 HD3 ARG 16 9.063 -10.620 -1.530
91 HE ARG 16 HE ARG 16 11.119 -11.368 -2.346
92 HH11 ARG 16 HH11 ARG 16 9.546 -14.023 -0.605
93 HH12 ARG 16 HH12 ARG 16 10.667 -15.204 -1.239
94 HH21 ARG 16 HH21 ARG 16 12.496 -12.932 -3.097
95 HH22 ARG 16 HH22 ARG 16 12.299 -14.598 -2.620
96 H ALA 17 H ALA 17 10.948 -6.822 1.028
97 HA ALA 17 HA ALA 17 13.769 -6.436 1.066
98 HB1 ALA 17 HB1 ALA 17 12.188 -5.068 -0.275
99 HB2 ALA 17 HB2 ALA 17 11.547 -4.359 1.226
100 HB3 ALA 17 HB3 ALA 17 13.235 -4.065 0.757
101 H LEU 18 H LEU 18 11.285 -6.041 3.567
102 HA LEU 18 HA LEU 18 12.931 -4.471 5.355
103 HB2 LEU 18 HB2 LEU 18 10.556 -6.277 5.883
104 HB3 LEU 18 HB3 LEU 18 11.306 -5.266 7.101
105 HG LEU 18 HG LEU 18 9.960 -4.192 4.613
106 HD11 LEU 18 HD11 LEU 18 8.952 -4.422 7.474
107 HD12 LEU 18 HD12 LEU 18 8.375 -5.368 6.080
108 HD13 LEU 18 HD13 LEU 18 8.109 -3.619 6.128
109 HD21 LEU 18 HD21 LEU 18 10.963 -2.843 7.147
110 HD22 LEU 18 HD22 LEU 18 9.983 -2.054 5.889
111 HD23 LEU 18 HD23 LEU 18 11.616 -2.635 5.506
112 H GLY 19 H GLY 19 12.972 -7.858 4.525
113 HA2 GLY 19 HA2 GLY 19 15.267 -8.359 6.064
114 HA3 GLY 19 HA3 GLY 19 13.882 -8.852 7.057
115 H GLY 20 H GLY 20 16.164 -10.238 5.388
116 HA2 GLY 20 HA2 GLY 20 14.889 -11.717 3.343
117 HA3 GLY 20 HA3 GLY 20 16.380 -12.163 4.173
118 H GLY 21 H GLY 21 14.621 -12.124 6.722
119 HA2 GLY 21 HA2 GLY 21 14.032 -14.965 6.674
120 HA3 GLY 21 HA3 GLY 21 13.688 -13.833 8.001
121 H ARG 22 H ARG 22 12.257 -12.043 5.941
122 HA ARG 22 HA ARG 22 9.698 -13.253 6.327
123 HB2 ARG 22 HB2 ARG 22 10.511 -10.659 5.011
124 HB3 ARG 22 HB3 ARG 22 8.837 -11.181 5.246
125 HG2 ARG 22 HG2 ARG 22 9.036 -11.069 7.623
126 HG3 ARG 22 HG3 ARG 22 10.795 -10.847 7.536
127 HD2 ARG 22 HD2 ARG 22 10.490 -8.680 6.446
128 HD3 ARG 22 HD3 ARG 22 8.735 -8.894 6.488
129 HE ARG 22 HE ARG 22 8.732 -8.538 8.815
130 HH11 ARG 22 HH11 ARG 22 12.010 -8.334 7.572
131 HH12 ARG 22 HH12 ARG 22 12.612 -7.555 9.009
132 HH21 ARG 22 HH21 ARG 22 9.557 -7.546 10.625
133 HH22 ARG 22 HH22 ARG 22 11.247 -7.126 10.708
134 H THR 23 H THR 23 8.659 -14.464 4.895
135 HA THR 23 HA THR 23 9.998 -14.960 2.324
136 HB THR 23 HB THR 23 8.174 -16.742 2.138
137 HG1 THR 23 HG1 THR 23 7.488 -16.965 4.626
138 HG21 THR 23 HG21 THR 23 9.165 -18.193 3.851
139 HG22 THR 23 HG22 THR 23 9.880 -16.786 4.664
140 HG23 THR 23 HG23 THR 23 10.432 -17.249 3.035
141 H GLY 24 H GLY 24 7.358 -13.172 3.578
142 HA2 GLY 24 HA2 GLY 24 6.829 -11.761 1.239
143 HA3 GLY 24 HA3 GLY 24 5.718 -13.142 1.242
144 H GLY 25 H GLY 25 3.836 -11.855 1.557
145 HA2 GLY 25 HA2 GLY 25 3.307 -11.299 4.327
146 HA3 GLY 25 HA3 GLY 25 3.502 -9.808 3.393
147 H TYR 26 H TYR 26 1.204 -10.237 4.637
148 HA TYR 26 HA TYR 26 -0.729 -10.815 2.415
149 HB2 TYR 26 HB2 TYR 26 -1.193 -11.275 5.388
150 HB3 TYR 26 HB3 TYR 26 -2.290 -11.676 4.062
151 HD1 TYR 26 HD2 TYR 26 -1.263 -13.385 2.246
152 HD2 TYR 26 HD1 TYR 26 0.162 -12.960 6.289
153 HE1 TYR 26 HE2 TYR 26 -0.231 -15.661 2.135
154 HE2 TYR 26 HE1 TYR 26 1.176 -15.233 6.166
155 HH TYR 26 HH TYR 26 1.629 -17.037 4.856
156 H CYS 27 H CYS 27 -2.834 -9.534 2.931
157 HA CYS 27 HA CYS 27 -2.018 -6.922 4.120
158 HB2 CYS 27 HB2 CYS 27 -4.134 -7.446 2.016
159 HB3 CYS 27 HB3 CYS 27 -3.560 -5.871 2.597
160 H ALA 28 H ALA 28 -3.249 -5.967 5.613
161 HA ALA 28 HA ALA 28 -5.919 -7.079 6.298
162 HB1 ALA 28 HB1 ALA 28 -5.311 -7.169 8.711
163 HB2 ALA 28 HB2 ALA 28 -4.261 -8.266 7.788
164 HB3 ALA 28 HB3 ALA 28 -3.642 -6.686 8.319
165 H GLY 29 H GLY 29 -6.517 -5.304 8.391
166 HA2 GLY 29 HA2 GLY 29 -5.300 -2.743 7.904
167 HA3 GLY 29 HA3 GLY 29 -6.849 -2.886 7.051
168 HA PRO 30 HA PRO 30 -7.553 -1.251 11.423
169 HB2 PRO 30 HB2 PRO 30 -8.980 0.842 9.838
170 HB3 PRO 30 HB3 PRO 30 -7.821 1.043 11.185
171 HG2 PRO 30 HG2 PRO 30 -7.129 1.657 8.710
172 HG3 PRO 30 HG3 PRO 30 -5.987 0.784 9.781
173 HD2 PRO 30 HD2 PRO 30 -7.803 -0.343 7.644
174 HD3 PRO 30 HD3 PRO 30 -6.041 -0.610 7.906
175 H TRP 31 H TRP 31 -9.693 -0.408 12.245
176 HA TRP 31 HA TRP 31 -11.842 -2.228 11.731
177 HB2 TRP 31 HB2 TRP 31 -11.899 0.477 13.111
178 HB3 TRP 31 HB3 TRP 31 -13.098 -0.814 13.276
179 HD1 TRP 31 HD1 TRP 31 -10.003 0.456 14.871
180 HE1 TRP 31 HE1 TRP 31 -9.061 -1.163 16.592
181 HE3 TRP 31 HE3 TRP 31 -12.844 -3.616 13.632
182 HZ2 TRP 31 HZ2 TRP 31 -9.466 -3.885 17.336
183 HZ3 TRP 31 HZ3 TRP 31 -12.520 -5.739 14.918
184 HH2 TRP 31 HH2 TRP 31 -10.833 -5.860 16.751
185 H TYR 32 H TYR 32 -10.812 0.123 9.695
186 HA TYR 32 HA TYR 32 -13.434 0.412 8.406
187 HB2 TYR 32 HB2 TYR 32 -12.914 2.900 8.071
188 HB3 TYR 32 HB3 TYR 32 -13.494 2.426 9.671
189 HD1 TYR 32 HD1 TYR 32 -10.337 3.217 7.787
190 HD2 TYR 32 HD2 TYR 32 -12.234 2.890 11.635
191 HE1 TYR 32 HE1 TYR 32 -8.357 4.286 8.855
192 HE2 TYR 32 HE2 TYR 32 -10.244 3.961 12.695
193 HH TYR 32 HH TYR 32 -8.193 4.926 12.355
194 H LEU 33 H LEU 33 -13.057 1.352 6.204
195 HA LEU 33 HA LEU 33 -12.123 1.161 4.135
196 HB2 LEU 33 HB2 LEU 33 -9.431 1.227 5.549
197 HB3 LEU 33 HB3 LEU 33 -9.672 1.364 3.817
198 HG LEU 33 HG LEU 33 -10.800 3.366 5.780
199 HD11 LEU 33 HD11 LEU 33 -8.192 3.464 4.212
200 HD12 LEU 33 HD12 LEU 33 -8.340 3.263 5.974
201 HD13 LEU 33 HD13 LEU 33 -8.870 4.774 5.209
202 HD21 LEU 33 HD21 LEU 33 -11.893 3.368 3.579
203 HD22 LEU 33 HD22 LEU 33 -10.307 3.470 2.775
204 HD23 LEU 33 HD23 LEU 33 -10.892 4.817 3.776
205 H GLY 34 H GLY 34 -9.947 -0.350 3.177
206 HA2 GLY 34 HA2 GLY 34 -11.076 -3.044 3.674
207 HA3 GLY 34 HA3 GLY 34 -10.110 -2.542 2.280
208 H HIS 35 H HIS 35 -8.039 -3.137 2.229
209 HA HIS 35 HA HIS 35 -6.768 -3.883 4.813
210 HB2 HIS 35 HB2 HIS 35 -6.413 -5.298 2.161
211 HB3 HIS 35 HB3 HIS 35 -5.683 -5.738 3.710
212 HD1 HIS 35 HD1 HIS 35 -8.371 -6.789 1.630
213 HD2 HIS 35 HD2 HIS 35 -7.943 -6.147 5.721
214 HE1 HIS 35 HE1 HIS 35 -10.218 -8.074 2.772
215 HA PRO 36 HA PRO 36 -3.979 -0.960 2.469
216 HB2 PRO 36 HB2 PRO 36 -4.014 0.595 5.016
217 HB3 PRO 36 HB3 PRO 36 -4.235 1.173 3.337
218 HG2 PRO 36 HG2 PRO 36 -6.292 1.089 5.019
219 HG3 PRO 36 HG3 PRO 36 -6.498 0.562 3.316
220 HD2 PRO 36 HD2 PRO 36 -5.990 -1.138 5.764
221 HD3 PRO 36 HD3 PRO 36 -7.278 -1.289 4.519
222 H THR 37 H THR 37 -3.837 -2.559 5.571
223 HA THR 37 HA THR 37 -1.054 -1.757 6.086
224 HB THR 37 HB THR 37 -2.995 -3.563 7.621
225 HG1 THR 37 HG1 THR 37 -2.931 -1.670 9.032
226 HG21 THR 37 HG21 THR 37 -0.696 -4.169 8.207
227 HG22 THR 37 HG22 THR 37 -1.392 -3.202 9.523
228 HG23 THR 37 HG23 THR 37 -0.251 -2.451 8.384
229 H CYS 38 H CYS 38 0.611 -2.846 5.253
230 HA CYS 38 HA CYS 38 0.286 -5.628 4.348
231 HB2 CYS 38 HB2 CYS 38 2.534 -3.598 4.355
232 HB3 CYS 38 HB3 CYS 38 2.890 -5.321 4.152
233 H THR 39 H THR 39 0.664 -7.342 5.584
234 HA THR 39 HA THR 39 2.089 -6.961 8.160
235 HB THR 39 HB THR 39 -0.207 -8.873 7.597
236 HG1 THR 39 HG1 THR 39 -0.849 -6.654 7.657
237 HG21 THR 39 HG21 THR 39 1.175 -8.063 10.186
238 HG22 THR 39 HG22 THR 39 1.313 -9.646 9.374
239 HG23 THR 39 HG23 THR 39 -0.243 -9.125 10.058
240 H CYS 40 H CYS 40 3.828 -8.379 8.328
241 HA CYS 40 HA CYS 40 4.317 -9.796 5.793
242 HB2 CYS 40 HB2 CYS 40 6.195 -9.130 8.071
243 HB3 CYS 40 HB3 CYS 40 6.651 -9.768 6.482
244 H SER 41 H SER 41 5.140 -11.812 5.562
245 HA SER 41 HA SER 41 4.494 -13.677 7.813
246 HB2 SER 41 HB2 SER 41 3.113 -13.769 5.661
247 HB3 SER 41 HB3 SER 41 4.595 -14.284 4.835
248 HG SER 41 HG SER 41 4.668 -16.113 6.192
249 H PHE 42 H PHE 42 5.854 -15.515 7.993
250 HA PHE 42 HA PHE 42 8.579 -15.275 6.779
251 HB2 PHE 42 HB2 PHE 42 7.784 -16.187 9.585
252 HB3 PHE 42 HB3 PHE 42 9.403 -16.330 8.888
253 HD1 PHE 42 HD2 PHE 42 6.816 -13.839 9.975
254 HD2 PHE 42 HD1 PHE 42 10.953 -14.521 9.008
255 HE1 PHE 42 HE2 PHE 42 7.384 -11.577 10.842
256 HE2 PHE 42 HE1 PHE 42 11.536 -12.269 9.892
257 HZ PHE 42 HZ PHE 42 9.752 -10.787 10.810
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -1.513 1.331 2.536
2 H2 GLY 1 H2 GLY 1 -1.656 0.048 1.507
3 HA2 GLY 1 HA2 GLY 1 -0.302 1.743 0.522
4 HA3 GLY 1 HA3 GLY 1 0.770 1.649 1.935
5 H PHE 2 H PHE 2 2.243 1.257 -0.111
6 HA PHE 2 HA PHE 2 3.583 -0.180 -1.268
7 HB2 PHE 2 HB2 PHE 2 2.811 -2.301 0.742
8 HB3 PHE 2 HB3 PHE 2 4.327 -2.130 -0.143
9 HD1 PHE 2 HD2 PHE 2 5.675 0.107 0.331
10 HD2 PHE 2 HD1 PHE 2 2.627 -1.487 2.917
11 HE1 PHE 2 HE2 PHE 2 6.577 1.459 2.217
12 HE2 PHE 2 HE1 PHE 2 3.528 -0.144 4.815
13 HZ PHE 2 HZ PHE 2 5.502 1.338 4.465
14 H GLY 3 H GLY 3 1.070 0.088 -2.340
15 HA2 GLY 3 HA2 GLY 3 0.136 -0.852 -4.252
16 HA3 GLY 3 HA3 GLY 3 0.888 -2.403 -3.854
17 H CYS 4 H CYS 4 -0.243 -2.117 -1.026
18 HA CYS 4 HA CYS 4 -2.845 -3.279 -1.773
19 HB2 CYS 4 HB2 CYS 4 -0.877 -3.793 0.264
20 HB3 CYS 4 HB3 CYS 4 -2.475 -3.544 1.000
21 HA PRO 5 HA PRO 5 -4.862 -3.864 -0.371
22 HB2 PRO 5 HB2 PRO 5 -7.425 -3.100 -0.908
23 HB3 PRO 5 HB3 PRO 5 -6.728 -3.051 0.742
24 HG2 PRO 5 HG2 PRO 5 -6.994 -0.826 -1.258
25 HG3 PRO 5 HG3 PRO 5 -7.472 -0.853 0.469
26 HD2 PRO 5 HD2 PRO 5 -5.130 0.230 -0.354
27 HD3 PRO 5 HD3 PRO 5 -5.266 -0.658 1.200
28 H GLY 6 H GLY 6 -4.711 -5.081 -2.158
29 HA2 GLY 6 HA2 GLY 6 -5.996 -5.293 -4.391
30 HA3 GLY 6 HA3 GLY 6 -5.122 -3.803 -4.804
31 H ASP 7 H ASP 7 -2.682 -3.931 -4.306
32 HA ASP 7 HA ASP 7 -1.746 -6.309 -5.783
33 HB2 ASP 7 HB2 ASP 7 -1.142 -3.967 -6.431
34 HB3 ASP 7 HB3 ASP 7 -0.185 -3.859 -4.953
35 H ALA 8 H ALA 8 -1.881 -7.916 -4.229
36 HA ALA 8 HA ALA 8 -0.541 -7.744 -1.683
37 HB1 ALA 8 HB1 ALA 8 -0.928 -10.180 -1.590
38 HB2 ALA 8 HB2 ALA 8 -2.394 -9.316 -2.111
39 HB3 ALA 8 HB3 ALA 8 -1.394 -10.180 -3.307
40 H TYR 9 H TYR 9 0.581 -8.416 -4.946
41 HA TYR 9 HA TYR 9 2.902 -9.955 -4.139
42 HB2 TYR 9 HB2 TYR 9 2.018 -10.120 -6.413
43 HB3 TYR 9 HB3 TYR 9 2.317 -8.398 -6.682
44 HD1 TYR 9 HD1 TYR 9 4.014 -11.678 -6.064
45 HD2 TYR 9 HD2 TYR 9 4.484 -7.581 -7.300
46 HE1 TYR 9 HE1 TYR 9 6.360 -12.151 -6.779
47 HE2 TYR 9 HE2 TYR 9 6.817 -8.066 -8.007
48 HH TYR 9 HH TYR 9 8.555 -9.572 -7.833
49 H GLN 10 H GLN 10 2.326 -6.507 -4.985
50 HA GLN 10 HA GLN 10 5.030 -5.672 -4.543
51 HB2 GLN 10 HB2 GLN 10 3.245 -4.392 -5.698
52 HB3 GLN 10 HB3 GLN 10 2.459 -4.105 -4.141
53 HG2 GLN 10 HG2 GLN 10 4.511 -2.901 -3.389
54 HG3 GLN 10 HG3 GLN 10 5.203 -3.131 -5.004
55 HE21 GLN 10 HE21 GLN 10 2.727 -2.746 -6.463
56 HE22 GLN 10 HE22 GLN 10 2.346 -1.043 -6.339
57 H CYS 11 H CYS 11 2.245 -6.079 -2.366
58 HA CYS 11 HA CYS 11 3.438 -4.965 -0.020
59 HB2 CYS 11 HB2 CYS 11 1.029 -5.570 -0.311
60 HB3 CYS 11 HB3 CYS 11 1.482 -7.276 -0.262
61 H SER 12 H SER 12 3.512 -8.251 -1.440
62 HA SER 12 HA SER 12 5.058 -9.463 0.653
63 HB2 SER 12 HB2 SER 12 3.771 -10.740 -1.038
64 HB3 SER 12 HB3 SER 12 4.860 -10.152 -2.307
65 HG SER 12 HG SER 12 5.516 -12.183 -1.642
66 H GLU 13 H GLU 13 6.076 -7.942 -2.475
67 HA GLU 13 HA GLU 13 8.813 -8.459 -2.076
68 HB2 GLU 13 HB2 GLU 13 7.384 -6.287 -3.610
69 HB3 GLU 13 HB3 GLU 13 9.147 -6.453 -3.588
70 HG2 GLU 13 HG2 GLU 13 8.844 -8.823 -4.397
71 HG3 GLU 13 HG3 GLU 13 7.135 -8.438 -4.658
72 H HIS 14 H HIS 14 6.771 -5.728 -1.052
73 HA HIS 14 HA HIS 14 8.850 -4.118 0.054
74 HB2 HIS 14 HB2 HIS 14 6.762 -3.072 -0.108
75 HB3 HIS 14 HB3 HIS 14 5.900 -4.458 0.562
76 HD1 HIS 14 HD1 HIS 14 8.466 -1.903 1.875
77 HD2 HIS 14 HD2 HIS 14 5.160 -4.120 3.105
78 HE1 HIS 14 HE1 HIS 14 7.978 -1.230 4.261
79 H CYS 15 H CYS 15 6.830 -6.697 1.564
80 HA CYS 15 HA CYS 15 8.110 -6.520 4.114
81 HB2 CYS 15 HB2 CYS 15 6.535 -8.636 2.676
82 HB3 CYS 15 HB3 CYS 15 7.326 -8.999 4.216
83 H ARG 16 H ARG 16 8.828 -8.587 1.254
84 HA ARG 16 HA ARG 16 10.944 -10.056 2.508
85 HB2 ARG 16 HB2 ARG 16 10.454 -9.266 -0.379
86 HB3 ARG 16 HB3 ARG 16 11.751 -10.364 0.119
87 HG2 ARG 16 HG2 ARG 16 10.217 -12.020 0.855
88 HG3 ARG 16 HG3 ARG 16 8.865 -10.888 0.869
89 HD2 ARG 16 HD2 ARG 16 8.618 -12.331 -1.039
90 HD3 ARG 16 HD3 ARG 16 9.017 -10.703 -1.604
91 HE ARG 16 HE ARG 16 11.091 -11.456 -2.360
92 HH11 ARG 16 HH11 ARG 16 9.490 -14.086 -0.598
93 HH12 ARG 16 HH12 ARG 16 10.651 -15.265 -1.154
94 HH21 ARG 16 HH21 ARG 16 12.504 -13.030 -3.027
95 HH22 ARG 16 HH22 ARG 16 12.316 -14.678 -2.498
96 H ALA 17 H ALA 17 10.948 -6.851 0.933
97 HA ALA 17 HA ALA 17 13.777 -6.530 0.945
98 HB1 ALA 17 HB1 ALA 17 13.301 -4.150 0.609
99 HB2 ALA 17 HB2 ALA 17 12.202 -5.137 -0.387
100 HB3 ALA 17 HB3 ALA 17 11.616 -4.394 1.120
101 H LEU 18 H LEU 18 11.342 -6.093 3.481
102 HA LEU 18 HA LEU 18 13.034 -4.536 5.241
103 HB2 LEU 18 HB2 LEU 18 10.674 -6.351 5.871
104 HB3 LEU 18 HB3 LEU 18 11.429 -5.243 7.008
105 HG LEU 18 HG LEU 18 9.989 -4.371 4.494
106 HD11 LEU 18 HD11 LEU 18 9.096 -4.328 7.397
107 HD12 LEU 18 HD12 LEU 18 8.491 -5.438 6.142
108 HD13 LEU 18 HD13 LEU 18 8.187 -3.698 6.003
109 HD21 LEU 18 HD21 LEU 18 10.042 -2.127 5.576
110 HD22 LEU 18 HD22 LEU 18 11.659 -2.730 5.170
111 HD23 LEU 18 HD23 LEU 18 11.086 -2.795 6.853
112 H GLY 19 H GLY 19 13.057 -7.866 4.343
113 HA2 GLY 19 HA2 GLY 19 15.334 -8.488 5.856
114 HA3 GLY 19 HA3 GLY 19 13.936 -8.971 6.846
115 H GLY 20 H GLY 20 16.144 -10.202 4.774
116 HA2 GLY 20 HA2 GLY 20 14.626 -11.569 2.838
117 HA3 GLY 20 HA3 GLY 20 16.226 -12.028 3.408
118 H GLY 21 H GLY 21 14.753 -12.231 6.158
119 HA2 GLY 21 HA2 GLY 21 14.283 -15.086 5.987
120 HA3 GLY 21 HA3 GLY 21 14.001 -14.053 7.404
121 H ARG 22 H ARG 22 12.322 -12.214 5.592
122 HA ARG 22 HA ARG 22 9.831 -13.513 6.081
123 HB2 ARG 22 HB2 ARG 22 10.524 -10.916 4.699
124 HB3 ARG 22 HB3 ARG 22 8.872 -11.477 4.981
125 HG2 ARG 22 HG2 ARG 22 9.091 -11.294 7.333
126 HG3 ARG 22 HG3 ARG 22 10.852 -11.091 7.238
127 HD2 ARG 22 HD2 ARG 22 10.580 -8.909 6.173
128 HD3 ARG 22 HD3 ARG 22 8.825 -9.125 6.152
129 HE ARG 22 HE ARG 22 8.744 -8.813 8.489
130 HH11 ARG 22 HH11 ARG 22 12.038 -8.485 7.318
131 HH12 ARG 22 HH12 ARG 22 12.579 -7.681 8.765
132 HH21 ARG 22 HH21 ARG 22 9.488 -7.793 10.314
133 HH22 ARG 22 HH22 ARG 22 11.158 -7.309 10.434
134 H THR 23 H THR 23 8.703 -14.741 4.668
135 HA THR 23 HA THR 23 9.902 -15.168 2.018
136 HB THR 23 HB THR 23 7.979 -16.847 1.831
137 HG1 THR 23 HG1 THR 23 7.547 -17.085 4.453
138 HG21 THR 23 HG21 THR 23 9.008 -18.444 3.401
139 HG22 THR 23 HG22 THR 23 9.868 -17.116 4.207
140 HG23 THR 23 HG23 THR 23 10.251 -17.532 2.518
141 H GLY 24 H GLY 24 7.439 -13.315 3.509
142 HA2 GLY 24 HA2 GLY 24 6.908 -11.792 1.229
143 HA3 GLY 24 HA3 GLY 24 5.693 -13.071 1.273
144 H GLY 25 H GLY 25 3.964 -11.718 1.628
145 HA2 GLY 25 HA2 GLY 25 3.466 -11.061 4.372
146 HA3 GLY 25 HA3 GLY 25 3.755 -9.599 3.402
147 H TYR 26 H TYR 26 1.339 -9.953 4.578
148 HA TYR 26 HA TYR 26 -0.463 -10.502 2.254
149 HB2 TYR 26 HB2 TYR 26 -1.022 -11.202 5.164
150 HB3 TYR 26 HB3 TYR 26 -2.093 -11.482 3.785
151 HD1 TYR 26 HD2 TYR 26 -0.823 -12.905 1.781
152 HD2 TYR 26 HD1 TYR 26 0.109 -13.072 5.983
153 HE1 TYR 26 HE2 TYR 26 0.219 -15.151 1.468
154 HE2 TYR 26 HE1 TYR 26 1.139 -15.323 5.653
155 HH TYR 26 HH TYR 26 1.748 -16.932 4.154
156 H CYS 27 H CYS 27 -2.575 -9.326 2.598
157 HA CYS 27 HA CYS 27 -2.029 -6.764 4.027
158 HB2 CYS 27 HB2 CYS 27 -3.972 -7.273 1.762
159 HB3 CYS 27 HB3 CYS 27 -3.463 -5.708 2.421
160 H ALA 28 H ALA 28 -3.376 -6.093 5.575
161 HA ALA 28 HA ALA 28 -6.076 -7.293 5.846
162 HB1 ALA 28 HB1 ALA 28 -5.698 -7.795 8.246
163 HB2 ALA 28 HB2 ALA 28 -4.555 -8.727 7.256
164 HB3 ALA 28 HB3 ALA 28 -4.003 -7.264 8.110
165 H GLY 29 H GLY 29 -6.797 -5.913 8.210
166 HA2 GLY 29 HA2 GLY 29 -5.600 -3.315 8.284
167 HA3 GLY 29 HA3 GLY 29 -7.045 -3.295 7.255
168 HA PRO 30 HA PRO 30 -8.289 -2.480 11.741
169 HB2 PRO 30 HB2 PRO 30 -9.409 -0.056 10.399
170 HB3 PRO 30 HB3 PRO 30 -8.466 -0.172 11.919
171 HG2 PRO 30 HG2 PRO 30 -7.379 0.863 9.746
172 HG3 PRO 30 HG3 PRO 30 -6.439 -0.279 10.764
173 HD2 PRO 30 HD2 PRO 30 -7.985 -0.846 8.229
174 HD3 PRO 30 HD3 PRO 30 -6.277 -1.244 8.638
175 H TRP 31 H TRP 31 -10.505 -1.662 12.379
176 HA TRP 31 HA TRP 31 -12.597 -3.263 11.298
177 HB2 TRP 31 HB2 TRP 31 -12.962 -0.712 12.890
178 HB3 TRP 31 HB3 TRP 31 -14.014 -2.135 12.850
179 HD1 TRP 31 HD1 TRP 31 -11.325 -0.614 14.866
180 HE1 TRP 31 HE1 TRP 31 -10.399 -2.201 16.624
181 HE3 TRP 31 HE3 TRP 31 -13.400 -4.930 13.075
182 HZ2 TRP 31 HZ2 TRP 31 -10.537 -4.990 17.199
183 HZ3 TRP 31 HZ3 TRP 31 -12.955 -7.073 14.299
184 HH2 TRP 31 HH2 TRP 31 -11.530 -7.084 16.344
185 H TYR 32 H TYR 32 -11.226 -0.629 9.808
186 HA TYR 32 HA TYR 32 -13.700 -0.036 8.294
187 HB2 TYR 32 HB2 TYR 32 -12.952 2.383 8.230
188 HB3 TYR 32 HB3 TYR 32 -13.576 1.829 9.788
189 HD1 TYR 32 HD1 TYR 32 -10.437 2.693 7.947
190 HD2 TYR 32 HD2 TYR 32 -12.203 1.823 11.773
191 HE1 TYR 32 HE1 TYR 32 -8.362 3.469 9.082
192 HE2 TYR 32 HE2 TYR 32 -10.116 2.600 12.901
193 HH TYR 32 HH TYR 32 -8.015 3.490 12.626
194 H LEU 33 H LEU 33 -13.238 0.772 6.188
195 HA LEU 33 HA LEU 33 -12.270 0.617 4.136
196 HB2 LEU 33 HB2 LEU 33 -9.601 0.671 5.584
197 HB3 LEU 33 HB3 LEU 33 -9.830 0.855 3.854
198 HG LEU 33 HG LEU 33 -10.954 2.787 5.901
199 HD11 LEU 33 HD11 LEU 33 -8.417 2.973 4.237
200 HD12 LEU 33 HD12 LEU 33 -8.498 2.732 5.998
201 HD13 LEU 33 HD13 LEU 33 -9.077 4.251 5.286
202 HD21 LEU 33 HD21 LEU 33 -12.138 2.846 3.748
203 HD22 LEU 33 HD22 LEU 33 -10.588 2.983 2.880
204 HD23 LEU 33 HD23 LEU 33 -11.139 4.298 3.942
205 H GLY 34 H GLY 34 -10.184 -0.869 3.091
206 HA2 GLY 34 HA2 GLY 34 -11.250 -3.576 3.643
207 HA3 GLY 34 HA3 GLY 34 -10.352 -3.070 2.207
208 H HIS 35 H HIS 35 -8.105 -3.140 2.198
209 HA HIS 35 HA HIS 35 -6.876 -4.288 4.652
210 HB2 HIS 35 HB2 HIS 35 -6.156 -5.108 1.829
211 HB3 HIS 35 HB3 HIS 35 -5.630 -5.837 3.352
212 HD1 HIS 35 HD1 HIS 35 -7.996 -6.388 0.697
213 HD2 HIS 35 HD2 HIS 35 -8.025 -6.902 4.834
214 HE1 HIS 35 HE1 HIS 35 -9.873 -7.999 1.227
215 HA PRO 36 HA PRO 36 -4.391 -0.703 2.968
216 HB2 PRO 36 HB2 PRO 36 -4.618 0.360 5.753
217 HB3 PRO 36 HB3 PRO 36 -4.865 1.207 4.195
218 HG2 PRO 36 HG2 PRO 36 -6.935 0.624 5.752
219 HG3 PRO 36 HG3 PRO 36 -7.044 0.382 3.976
220 HD2 PRO 36 HD2 PRO 36 -6.421 -1.652 6.119
221 HD3 PRO 36 HD3 PRO 36 -7.657 -1.715 4.818
222 H THR 37 H THR 37 -4.119 -2.742 5.813
223 HA THR 37 HA THR 37 -1.386 -1.788 6.400
224 HB THR 37 HB THR 37 -3.228 -3.761 7.844
225 HG1 THR 37 HG1 THR 37 -3.309 -1.908 9.317
226 HG21 THR 37 HG21 THR 37 -0.884 -4.202 8.436
227 HG22 THR 37 HG22 THR 37 -1.681 -3.353 9.775
228 HG23 THR 37 HG23 THR 37 -0.595 -2.461 8.687
229 H CYS 38 H CYS 38 0.310 -2.751 5.486
230 HA CYS 38 HA CYS 38 0.145 -5.528 4.506
231 HB2 CYS 38 HB2 CYS 38 2.219 -3.335 4.496
232 HB3 CYS 38 HB3 CYS 38 2.745 -5.015 4.338
233 H THR 39 H THR 39 0.741 -7.254 5.665
234 HA THR 39 HA THR 39 2.201 -6.833 8.212
235 HB THR 39 HB THR 39 -0.063 -8.820 7.725
236 HG1 THR 39 HG1 THR 39 -0.769 -6.629 7.845
237 HG21 THR 39 HG21 THR 39 1.408 -8.003 10.264
238 HG22 THR 39 HG22 THR 39 1.554 -9.573 9.429
239 HG23 THR 39 HG23 THR 39 0.015 -9.103 10.184
240 H CYS 40 H CYS 40 3.956 -8.300 8.370
241 HA CYS 40 HA CYS 40 4.441 -9.663 5.803
242 HB2 CYS 40 HB2 CYS 40 6.316 -9.082 8.104
243 HB3 CYS 40 HB3 CYS 40 6.771 -9.701 6.509
244 H SER 41 H SER 41 5.369 -11.716 5.604
245 HA SER 41 HA SER 41 4.660 -13.559 7.863
246 HB2 SER 41 HB2 SER 41 3.000 -13.513 5.969
247 HB3 SER 41 HB3 SER 41 4.298 -14.023 4.876
248 HG SER 41 HG SER 41 3.456 -15.465 7.185
249 H PHE 42 H PHE 42 5.872 -15.525 7.907
250 HA PHE 42 HA PHE 42 8.484 -15.470 6.459
251 HB2 PHE 42 HB2 PHE 42 7.908 -16.327 9.334
252 HB3 PHE 42 HB3 PHE 42 9.455 -16.509 8.502
253 HD1 PHE 42 HD2 PHE 42 7.039 -13.981 9.838
254 HD2 PHE 42 HD1 PHE 42 11.048 -14.729 8.470
255 HE1 PHE 42 HE2 PHE 42 7.738 -11.752 10.696
256 HE2 PHE 42 HE1 PHE 42 11.765 -12.510 9.340
257 HZ PHE 42 HZ PHE 42 10.113 -11.015 10.461
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -1.437 1.435 2.107
2 H2 GLY 1 H2 GLY 1 -1.646 0.071 1.203
3 HA2 GLY 1 HA2 GLY 1 -0.237 1.627 0.070
4 HA3 GLY 1 HA3 GLY 1 0.859 1.580 1.467
5 H PHE 2 H PHE 2 2.263 0.953 -0.575
6 HA PHE 2 HA PHE 2 3.471 -0.641 -1.654
7 HB2 PHE 2 HB2 PHE 2 2.657 -2.507 0.577
8 HB3 PHE 2 HB3 PHE 2 4.116 -2.570 -0.414
9 HD1 PHE 2 HD2 PHE 2 5.661 -0.417 -0.289
10 HD2 PHE 2 HD1 PHE 2 2.740 -1.500 2.677
11 HE1 PHE 2 HE2 PHE 2 6.832 1.013 1.380
12 HE2 PHE 2 HE1 PHE 2 3.906 -0.080 4.360
13 HZ PHE 2 HZ PHE 2 5.961 1.186 3.710
14 H GLY 3 H GLY 3 0.985 -0.345 -2.758
15 HA2 GLY 3 HA2 GLY 3 -0.078 -1.424 -4.513
16 HA3 GLY 3 HA3 GLY 3 0.633 -2.958 -4.004
17 H CYS 4 H CYS 4 -0.485 -2.247 -1.169
18 HA CYS 4 HA CYS 4 -3.091 -3.491 -1.797
19 HB2 CYS 4 HB2 CYS 4 -1.032 -4.005 0.121
20 HB3 CYS 4 HB3 CYS 4 -2.555 -3.688 0.969
21 HA PRO 5 HA PRO 5 -5.076 -4.034 -0.593
22 HB2 PRO 5 HB2 PRO 5 -7.619 -3.210 -1.120
23 HB3 PRO 5 HB3 PRO 5 -6.960 -3.293 0.540
24 HG2 PRO 5 HG2 PRO 5 -7.179 -0.915 -1.280
25 HG3 PRO 5 HG3 PRO 5 -7.690 -1.077 0.429
26 HD2 PRO 5 HD2 PRO 5 -5.326 0.053 -0.275
27 HD3 PRO 5 HD3 PRO 5 -5.498 -0.932 1.211
28 H GLY 6 H GLY 6 -5.377 -5.145 -2.508
29 HA2 GLY 6 HA2 GLY 6 -6.428 -4.780 -4.850
30 HA3 GLY 6 HA3 GLY 6 -5.177 -3.533 -4.995
31 H ASP 7 H ASP 7 -2.903 -4.355 -4.295
32 HA ASP 7 HA ASP 7 -2.501 -7.038 -5.570
33 HB2 ASP 7 HB2 ASP 7 -1.652 -5.233 -6.960
34 HB3 ASP 7 HB3 ASP 7 -0.739 -4.573 -5.589
35 H ALA 8 H ALA 8 -1.695 -8.558 -4.349
36 HA ALA 8 HA ALA 8 -0.458 -7.894 -1.771
37 HB1 ALA 8 HB1 ALA 8 -0.510 -10.331 -1.395
38 HB2 ALA 8 HB2 ALA 8 -2.108 -9.728 -1.907
39 HB3 ALA 8 HB3 ALA 8 -1.059 -10.584 -3.069
40 H TYR 9 H TYR 9 0.614 -8.524 -5.028
41 HA TYR 9 HA TYR 9 3.020 -9.960 -4.378
42 HB2 TYR 9 HB2 TYR 9 1.952 -9.801 -6.647
43 HB3 TYR 9 HB3 TYR 9 2.526 -8.136 -6.754
44 HD1 TYR 9 HD1 TYR 9 3.577 -11.703 -6.667
45 HD2 TYR 9 HD2 TYR 9 4.872 -7.625 -7.173
46 HE1 TYR 9 HE1 TYR 9 5.784 -12.499 -7.540
47 HE2 TYR 9 HE2 TYR 9 7.053 -8.433 -8.055
48 HH TYR 9 HH TYR 9 8.373 -10.222 -8.482
49 H GLN 10 H GLN 10 2.444 -6.455 -5.075
50 HA GLN 10 HA GLN 10 5.132 -5.671 -4.507
51 HB2 GLN 10 HB2 GLN 10 3.373 -4.341 -5.689
52 HB3 GLN 10 HB3 GLN 10 2.590 -4.061 -4.136
53 HG2 GLN 10 HG2 GLN 10 4.612 -2.901 -3.319
54 HG3 GLN 10 HG3 GLN 10 5.401 -3.200 -4.878
55 HE21 GLN 10 HE21 GLN 10 3.766 -2.536 -6.782
56 HE22 GLN 10 HE22 GLN 10 3.178 -0.896 -6.620
57 H CYS 11 H CYS 11 2.319 -6.208 -2.415
58 HA CYS 11 HA CYS 11 3.393 -5.067 -0.027
59 HB2 CYS 11 HB2 CYS 11 1.011 -5.740 -0.412
60 HB3 CYS 11 HB3 CYS 11 1.510 -7.433 -0.330
61 H SER 12 H SER 12 3.576 -8.337 -1.464
62 HA SER 12 HA SER 12 5.134 -9.535 0.633
63 HB2 SER 12 HB2 SER 12 3.912 -10.833 -1.079
64 HB3 SER 12 HB3 SER 12 4.961 -10.168 -2.341
65 HG SER 12 HG SER 12 5.696 -12.199 -1.716
66 H GLU 13 H GLU 13 6.096 -7.922 -2.457
67 HA GLU 13 HA GLU 13 8.859 -8.344 -2.122
68 HB2 GLU 13 HB2 GLU 13 7.318 -6.123 -3.486
69 HB3 GLU 13 HB3 GLU 13 9.075 -6.265 -3.564
70 HG2 GLU 13 HG2 GLU 13 8.831 -8.518 -4.571
71 HG3 GLU 13 HG3 GLU 13 7.075 -8.307 -4.576
72 H HIS 14 H HIS 14 6.742 -5.721 -0.971
73 HA HIS 14 HA HIS 14 8.776 -4.080 0.168
74 HB2 HIS 14 HB2 HIS 14 6.770 -2.975 0.123
75 HB3 HIS 14 HB3 HIS 14 5.834 -4.440 0.428
76 HD1 HIS 14 HD1 HIS 14 8.103 -2.092 2.459
77 HD2 HIS 14 HD2 HIS 14 4.814 -4.609 2.893
78 HE1 HIS 14 HE1 HIS 14 7.280 -1.821 4.834
79 H CYS 15 H CYS 15 6.815 -6.731 1.614
80 HA CYS 15 HA CYS 15 8.070 -6.556 4.181
81 HB2 CYS 15 HB2 CYS 15 6.544 -8.691 2.711
82 HB3 CYS 15 HB3 CYS 15 7.309 -9.031 4.272
83 H ARG 16 H ARG 16 8.865 -8.573 1.310
84 HA ARG 16 HA ARG 16 10.999 -10.002 2.601
85 HB2 ARG 16 HB2 ARG 16 10.521 -9.260 -0.304
86 HB3 ARG 16 HB3 ARG 16 11.819 -10.339 0.232
87 HG2 ARG 16 HG2 ARG 16 10.278 -11.991 0.996
88 HG3 ARG 16 HG3 ARG 16 8.911 -10.872 0.902
89 HD2 ARG 16 HD2 ARG 16 8.767 -12.370 -0.968
90 HD3 ARG 16 HD3 ARG 16 9.202 -10.763 -1.569
91 HE ARG 16 HE ARG 16 11.330 -11.532 -2.150
92 HH11 ARG 16 HH11 ARG 16 9.565 -14.132 -0.501
93 HH12 ARG 16 HH12 ARG 16 10.737 -15.335 -0.987
94 HH21 ARG 16 HH21 ARG 16 12.756 -13.127 -2.720
95 HH22 ARG 16 HH22 ARG 16 12.502 -14.774 -2.211
96 H ALA 17 H ALA 17 10.911 -6.824 0.986
97 HA ALA 17 HA ALA 17 13.729 -6.435 0.948
98 HB1 ALA 17 HB1 ALA 17 12.117 -5.101 -0.383
99 HB2 ALA 17 HB2 ALA 17 11.512 -4.349 1.113
100 HB3 ALA 17 HB3 ALA 17 13.187 -4.071 0.595
101 H LEU 18 H LEU 18 11.326 -6.003 3.524
102 HA LEU 18 HA LEU 18 13.002 -4.366 5.210
103 HB2 LEU 18 HB2 LEU 18 10.733 -6.253 5.913
104 HB3 LEU 18 HB3 LEU 18 11.484 -5.142 7.040
105 HG LEU 18 HG LEU 18 9.923 -4.291 4.593
106 HD11 LEU 18 HD11 LEU 18 8.532 -5.450 6.251
107 HD12 LEU 18 HD12 LEU 18 8.157 -3.723 6.212
108 HD13 LEU 18 HD13 LEU 18 9.152 -4.381 7.532
109 HD21 LEU 18 HD21 LEU 18 9.913 -2.071 5.712
110 HD22 LEU 18 HD22 LEU 18 11.547 -2.588 5.244
111 HD23 LEU 18 HD23 LEU 18 11.025 -2.706 6.942
112 H GLY 19 H GLY 19 13.095 -7.752 4.430
113 HA2 GLY 19 HA2 GLY 19 15.451 -8.218 5.882
114 HA3 GLY 19 HA3 GLY 19 14.109 -8.703 6.941
115 H GLY 20 H GLY 20 16.321 -10.080 5.125
116 HA2 GLY 20 HA2 GLY 20 14.940 -11.575 3.173
117 HA3 GLY 20 HA3 GLY 20 16.476 -12.013 3.922
118 H GLY 21 H GLY 21 14.833 -11.987 6.557
119 HA2 GLY 21 HA2 GLY 21 14.264 -14.828 6.534
120 HA3 GLY 21 HA3 GLY 21 13.946 -13.703 7.871
121 H ARG 22 H ARG 22 12.427 -11.908 5.903
122 HA ARG 22 HA ARG 22 9.889 -13.166 6.286
123 HB2 ARG 22 HB2 ARG 22 10.669 -10.539 5.004
124 HB3 ARG 22 HB3 ARG 22 9.004 -11.081 5.233
125 HG2 ARG 22 HG2 ARG 22 9.182 -10.967 7.608
126 HG3 ARG 22 HG3 ARG 22 10.946 -10.773 7.536
127 HD2 ARG 22 HD2 ARG 22 10.654 -8.597 6.412
128 HD3 ARG 22 HD3 ARG 22 8.901 -8.786 6.528
129 HE ARG 22 HE ARG 22 9.004 -8.431 8.858
130 HH11 ARG 22 HH11 ARG 22 12.214 -8.245 7.454
131 HH12 ARG 22 HH12 ARG 22 12.890 -7.453 8.854
132 HH21 ARG 22 HH21 ARG 22 9.919 -7.437 10.623
133 HH22 ARG 22 HH22 ARG 22 11.613 -7.016 10.615
134 H THR 23 H THR 23 8.830 -14.332 4.782
135 HA THR 23 HA THR 23 10.199 -14.641 2.173
136 HB THR 23 HB THR 23 8.681 -16.645 1.974
137 HG1 THR 23 HG1 THR 23 8.046 -16.944 4.516
138 HG21 THR 23 HG21 THR 23 9.866 -17.990 3.645
139 HG22 THR 23 HG22 THR 23 10.324 -16.528 4.539
140 HG23 THR 23 HG23 THR 23 10.989 -16.822 2.914
141 H GLY 24 H GLY 24 7.508 -13.059 3.555
142 HA2 GLY 24 HA2 GLY 24 6.762 -11.857 1.140
143 HA3 GLY 24 HA3 GLY 24 5.683 -13.239 1.392
144 H GLY 25 H GLY 25 3.895 -11.765 1.608
145 HA2 GLY 25 HA2 GLY 25 3.407 -11.100 4.353
146 HA3 GLY 25 HA3 GLY 25 3.682 -9.642 3.381
147 H TYR 26 H TYR 26 1.298 -10.041 4.626
148 HA TYR 26 HA TYR 26 -0.555 -10.505 2.319
149 HB2 TYR 26 HB2 TYR 26 -1.060 -11.341 5.204
150 HB3 TYR 26 HB3 TYR 26 -2.154 -11.559 3.831
151 HD1 TYR 26 HD2 TYR 26 -1.111 -12.961 1.781
152 HD2 TYR 26 HD1 TYR 26 0.334 -13.134 5.834
153 HE1 TYR 26 HE2 TYR 26 -0.041 -15.170 1.316
154 HE2 TYR 26 HE1 TYR 26 1.381 -15.346 5.359
155 HH TYR 26 HH TYR 26 1.819 -16.936 3.803
156 H CYS 27 H CYS 27 -2.660 -9.340 2.721
157 HA CYS 27 HA CYS 27 -2.030 -6.780 4.092
158 HB2 CYS 27 HB2 CYS 27 -4.121 -7.312 1.975
159 HB3 CYS 27 HB3 CYS 27 -3.519 -5.742 2.543
160 H ALA 28 H ALA 28 -3.335 -5.897 5.579
161 HA ALA 28 HA ALA 28 -6.020 -7.034 6.111
162 HB1 ALA 28 HB1 ALA 28 -5.520 -7.229 8.548
163 HB2 ALA 28 HB2 ALA 28 -4.457 -8.309 7.618
164 HB3 ALA 28 HB3 ALA 28 -3.825 -6.768 8.251
165 H GLY 29 H GLY 29 -6.700 -5.349 8.254
166 HA2 GLY 29 HA2 GLY 29 -5.429 -2.793 8.010
167 HA3 GLY 29 HA3 GLY 29 -6.883 -2.851 6.999
168 HA PRO 30 HA PRO 30 -8.022 -1.467 11.373
169 HB2 PRO 30 HB2 PRO 30 -9.024 0.873 9.811
170 HB3 PRO 30 HB3 PRO 30 -8.051 0.850 11.310
171 HG2 PRO 30 HG2 PRO 30 -6.963 1.595 9.024
172 HG3 PRO 30 HG3 PRO 30 -6.065 0.522 10.145
173 HD2 PRO 30 HD2 PRO 30 -7.688 -0.231 7.706
174 HD3 PRO 30 HD3 PRO 30 -5.997 -0.676 8.133
175 H TRP 31 H TRP 31 -10.190 -0.490 11.950
176 HA TRP 31 HA TRP 31 -12.357 -2.086 11.010
177 HB2 TRP 31 HB2 TRP 31 -12.591 0.588 12.414
178 HB3 TRP 31 HB3 TRP 31 -13.707 -0.784 12.485
179 HD1 TRP 31 HD1 TRP 31 -10.989 0.757 14.426
180 HE1 TRP 31 HE1 TRP 31 -10.101 -0.755 16.265
181 HE3 TRP 31 HE3 TRP 31 -13.114 -3.611 12.822
182 HZ2 TRP 31 HZ2 TRP 31 -10.271 -3.516 16.962
183 HZ3 TRP 31 HZ3 TRP 31 -12.692 -5.697 14.140
184 HH2 TRP 31 HH2 TRP 31 -11.283 -5.636 16.197
185 H TYR 32 H TYR 32 -10.889 0.371 9.325
186 HA TYR 32 HA TYR 32 -13.347 0.975 7.786
187 HB2 TYR 32 HB2 TYR 32 -12.487 3.350 7.564
188 HB3 TYR 32 HB3 TYR 32 -13.143 2.925 9.147
189 HD1 TYR 32 HD1 TYR 32 -9.953 3.521 7.285
190 HD2 TYR 32 HD2 TYR 32 -11.794 2.985 11.136
191 HE1 TYR 32 HE1 TYR 32 -7.852 4.270 8.396
192 HE2 TYR 32 HE2 TYR 32 -9.687 3.738 12.242
193 HH TYR 32 HH TYR 32 -7.548 4.498 11.942
194 H LEU 33 H LEU 33 -12.850 1.705 5.641
195 HA LEU 33 HA LEU 33 -11.911 1.381 3.593
196 HB2 LEU 33 HB2 LEU 33 -9.230 1.378 5.029
197 HB3 LEU 33 HB3 LEU 33 -9.463 1.483 3.290
198 HG LEU 33 HG LEU 33 -10.465 3.568 5.248
199 HD11 LEU 33 HD11 LEU 33 -7.942 3.536 3.543
200 HD12 LEU 33 HD12 LEU 33 -8.013 3.407 5.318
201 HD13 LEU 33 HD13 LEU 33 -8.529 4.905 4.518
202 HD21 LEU 33 HD21 LEU 33 -11.678 3.588 3.117
203 HD22 LEU 33 HD22 LEU 33 -10.144 3.596 2.215
204 HD23 LEU 33 HD23 LEU 33 -10.609 4.994 3.219
205 H GLY 34 H GLY 34 -9.765 -0.289 2.759
206 HA2 GLY 34 HA2 GLY 34 -11.063 -2.886 3.345
207 HA3 GLY 34 HA3 GLY 34 -10.034 -2.519 1.959
208 H HIS 35 H HIS 35 -7.870 -2.896 2.060
209 HA HIS 35 HA HIS 35 -6.806 -3.834 4.680
210 HB2 HIS 35 HB2 HIS 35 -6.162 -5.055 1.982
211 HB3 HIS 35 HB3 HIS 35 -5.640 -5.616 3.574
212 HD1 HIS 35 HD1 HIS 35 -8.229 -6.206 1.076
213 HD2 HIS 35 HD2 HIS 35 -7.929 -6.478 5.222
214 HE1 HIS 35 HE1 HIS 35 -10.137 -7.664 1.857
215 HA PRO 36 HA PRO 36 -3.996 -0.698 2.655
216 HB2 PRO 36 HB2 PRO 36 -4.162 0.673 5.312
217 HB3 PRO 36 HB3 PRO 36 -4.320 1.368 3.667
218 HG2 PRO 36 HG2 PRO 36 -6.445 1.129 5.238
219 HG3 PRO 36 HG3 PRO 36 -6.560 0.708 3.496
220 HD2 PRO 36 HD2 PRO 36 -6.129 -1.131 5.853
221 HD3 PRO 36 HD3 PRO 36 -7.353 -1.233 4.542
222 H THR 37 H THR 37 -3.908 -2.496 5.665
223 HA THR 37 HA THR 37 -1.129 -1.694 6.256
224 HB THR 37 HB THR 37 -3.101 -3.514 7.731
225 HG1 THR 37 HG1 THR 37 -3.019 -1.614 9.176
226 HG21 THR 37 HG21 THR 37 -0.833 -4.135 8.356
227 HG22 THR 37 HG22 THR 37 -1.535 -3.163 9.663
228 HG23 THR 37 HG23 THR 37 -0.376 -2.418 8.542
229 H CYS 38 H CYS 38 0.511 -2.778 5.350
230 HA CYS 38 HA CYS 38 0.184 -5.578 4.497
231 HB2 CYS 38 HB2 CYS 38 2.414 -3.534 4.404
232 HB3 CYS 38 HB3 CYS 38 2.784 -5.256 4.244
233 H THR 39 H THR 39 0.735 -7.289 5.688
234 HA THR 39 HA THR 39 2.197 -6.859 8.237
235 HB THR 39 HB THR 39 -0.093 -8.812 7.743
236 HG1 THR 39 HG1 THR 39 -0.768 -6.613 7.863
237 HG21 THR 39 HG21 THR 39 1.383 -8.019 10.289
238 HG22 THR 39 HG22 THR 39 1.515 -9.590 9.451
239 HG23 THR 39 HG23 THR 39 -0.020 -9.107 10.201
240 H CYS 40 H CYS 40 3.942 -8.310 8.396
241 HA CYS 40 HA CYS 40 4.426 -9.674 5.830
242 HB2 CYS 40 HB2 CYS 40 6.299 -9.062 8.129
243 HB3 CYS 40 HB3 CYS 40 6.761 -9.688 6.539
244 H SER 41 H SER 41 5.326 -11.667 5.571
245 HA SER 41 HA SER 41 4.656 -13.608 7.756
246 HB2 SER 41 HB2 SER 41 3.209 -13.604 5.657
247 HB3 SER 41 HB3 SER 41 4.656 -14.077 4.747
248 HG SER 41 HG SER 41 4.784 -15.964 6.068
249 H PHE 42 H PHE 42 6.009 -15.460 7.862
250 HA PHE 42 HA PHE 42 8.707 -15.182 6.607
251 HB2 PHE 42 HB2 PHE 42 7.968 -16.200 9.389
252 HB3 PHE 42 HB3 PHE 42 9.579 -16.265 8.672
253 HD1 PHE 42 HD2 PHE 42 6.929 -13.918 9.897
254 HD2 PHE 42 HD1 PHE 42 11.069 -14.404 8.835
255 HE1 PHE 42 HE2 PHE 42 7.430 -11.670 10.856
256 HE2 PHE 42 HE1 PHE 42 11.587 -12.169 9.809
257 HZ PHE 42 HZ PHE 42 9.768 -10.791 10.816
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -1.465 1.519 2.060
2 H2 GLY 1 H2 GLY 1 -1.689 0.191 1.106
3 HA2 GLY 1 HA2 GLY 1 -0.206 1.722 0.045
4 HA3 GLY 1 HA3 GLY 1 0.842 1.639 1.475
5 H PHE 2 H PHE 2 2.270 1.019 -0.575
6 HA PHE 2 HA PHE 2 3.490 -0.585 -1.638
7 HB2 PHE 2 HB2 PHE 2 2.648 -2.497 0.537
8 HB3 PHE 2 HB3 PHE 2 4.164 -2.460 -0.363
9 HD1 PHE 2 HD2 PHE 2 5.607 -0.250 -0.050
10 HD2 PHE 2 HD1 PHE 2 2.530 -1.552 2.662
11 HE1 PHE 2 HE2 PHE 2 6.592 1.170 1.743
12 HE2 PHE 2 HE1 PHE 2 3.511 -0.143 4.465
13 HZ PHE 2 HZ PHE 2 5.542 1.229 4.007
14 H GLY 3 H GLY 3 0.968 -0.288 -2.698
15 HA2 GLY 3 HA2 GLY 3 -0.133 -1.345 -4.440
16 HA3 GLY 3 HA3 GLY 3 0.677 -2.857 -4.028
17 H CYS 4 H CYS 4 -0.491 -2.178 -1.114
18 HA CYS 4 HA CYS 4 -3.020 -3.577 -1.761
19 HB2 CYS 4 HB2 CYS 4 -0.939 -4.064 0.126
20 HB3 CYS 4 HB3 CYS 4 -2.457 -3.784 1.005
21 HA PRO 5 HA PRO 5 -4.990 -4.202 -0.649
22 HB2 PRO 5 HB2 PRO 5 -7.552 -3.446 -1.182
23 HB3 PRO 5 HB3 PRO 5 -6.923 -3.562 0.493
24 HG2 PRO 5 HG2 PRO 5 -7.184 -1.144 -1.270
25 HG3 PRO 5 HG3 PRO 5 -7.723 -1.368 0.424
26 HD2 PRO 5 HD2 PRO 5 -5.385 -0.140 -0.196
27 HD3 PRO 5 HD3 PRO 5 -5.552 -1.174 1.257
28 H GLY 6 H GLY 6 -5.222 -5.235 -2.632
29 HA2 GLY 6 HA2 GLY 6 -6.212 -4.667 -4.997
30 HA3 GLY 6 HA3 GLY 6 -4.864 -3.514 -5.011
31 H ASP 7 H ASP 7 -2.687 -4.505 -4.351
32 HA ASP 7 HA ASP 7 -2.445 -7.201 -5.646
33 HB2 ASP 7 HB2 ASP 7 -1.547 -5.451 -7.090
34 HB3 ASP 7 HB3 ASP 7 -0.554 -4.843 -5.757
35 H ALA 8 H ALA 8 -1.752 -8.726 -4.384
36 HA ALA 8 HA ALA 8 -0.493 -8.146 -1.820
37 HB1 ALA 8 HB1 ALA 8 -0.511 -10.601 -1.552
38 HB2 ALA 8 HB2 ALA 8 -2.100 -10.008 -2.090
39 HB3 ALA 8 HB3 ALA 8 -1.003 -10.795 -3.253
40 H TYR 9 H TYR 9 0.664 -8.798 -5.089
41 HA TYR 9 HA TYR 9 3.119 -10.081 -4.284
42 HB2 TYR 9 HB2 TYR 9 2.296 -10.311 -6.553
43 HB3 TYR 9 HB3 TYR 9 2.405 -8.566 -6.813
44 HD1 TYR 9 HD1 TYR 9 4.496 -11.605 -6.084
45 HD2 TYR 9 HD2 TYR 9 4.431 -7.551 -7.531
46 HE1 TYR 9 HE1 TYR 9 6.887 -11.805 -6.786
47 HE2 TYR 9 HE2 TYR 9 6.805 -7.764 -8.220
48 HH TYR 9 HH TYR 9 8.717 -9.008 -8.001
49 H GLN 10 H GLN 10 2.381 -6.647 -5.169
50 HA GLN 10 HA GLN 10 5.031 -5.707 -4.678
51 HB2 GLN 10 HB2 GLN 10 3.108 -4.521 -5.829
52 HB3 GLN 10 HB3 GLN 10 2.443 -4.179 -4.231
53 HG2 GLN 10 HG2 GLN 10 4.538 -2.955 -3.660
54 HG3 GLN 10 HG3 GLN 10 5.134 -3.269 -5.301
55 HE21 GLN 10 HE21 GLN 10 3.191 -2.736 -6.972
56 HE22 GLN 10 HE22 GLN 10 2.596 -1.101 -6.788
57 H CYS 11 H CYS 11 2.268 -6.262 -2.511
58 HA CYS 11 HA CYS 11 3.392 -5.055 -0.169
59 HB2 CYS 11 HB2 CYS 11 1.003 -5.718 -0.465
60 HB3 CYS 11 HB3 CYS 11 1.491 -7.415 -0.409
61 H SER 12 H SER 12 3.574 -8.346 -1.554
62 HA SER 12 HA SER 12 5.131 -9.513 0.551
63 HB2 SER 12 HB2 SER 12 3.909 -10.805 -1.187
64 HB3 SER 12 HB3 SER 12 5.029 -10.193 -2.416
65 HG SER 12 HG SER 12 5.672 -12.234 -1.705
66 H GLU 13 H GLU 13 6.116 -7.900 -2.538
67 HA GLU 13 HA GLU 13 8.877 -8.302 -2.206
68 HB2 GLU 13 HB2 GLU 13 7.340 -6.043 -3.505
69 HB3 GLU 13 HB3 GLU 13 9.099 -6.184 -3.574
70 HG2 GLU 13 HG2 GLU 13 8.851 -8.400 -4.653
71 HG3 GLU 13 HG3 GLU 13 7.098 -8.155 -4.697
72 H HIS 14 H HIS 14 6.755 -5.672 -1.074
73 HA HIS 14 HA HIS 14 8.777 -4.070 0.121
74 HB2 HIS 14 HB2 HIS 14 6.755 -2.973 0.000
75 HB3 HIS 14 HB3 HIS 14 5.823 -4.418 0.381
76 HD1 HIS 14 HD1 HIS 14 8.163 -2.016 2.270
77 HD2 HIS 14 HD2 HIS 14 4.830 -4.440 2.865
78 HE1 HIS 14 HE1 HIS 14 7.389 -1.632 4.647
79 H CYS 15 H CYS 15 6.776 -6.724 1.511
80 HA CYS 15 HA CYS 15 7.952 -6.568 4.113
81 HB2 CYS 15 HB2 CYS 15 6.468 -8.668 2.571
82 HB3 CYS 15 HB3 CYS 15 7.229 -9.075 4.115
83 H ARG 16 H ARG 16 8.847 -8.547 1.251
84 HA ARG 16 HA ARG 16 10.918 -10.013 2.589
85 HB2 ARG 16 HB2 ARG 16 10.487 -9.244 -0.308
86 HB3 ARG 16 HB3 ARG 16 11.790 -10.320 0.220
87 HG2 ARG 16 HG2 ARG 16 10.281 -12.010 0.904
88 HG3 ARG 16 HG3 ARG 16 8.910 -10.897 0.945
89 HD2 ARG 16 HD2 ARG 16 8.674 -12.310 -0.995
90 HD3 ARG 16 HD3 ARG 16 9.038 -10.659 -1.517
91 HE ARG 16 HE ARG 16 11.131 -11.355 -2.301
92 HH11 ARG 16 HH11 ARG 16 9.554 -14.067 -0.645
93 HH12 ARG 16 HH12 ARG 16 10.718 -15.216 -1.261
94 HH21 ARG 16 HH21 ARG 16 12.550 -12.884 -3.043
95 HH22 ARG 16 HH22 ARG 16 12.377 -14.557 -2.586
96 H ALA 17 H ALA 17 10.905 -6.825 1.004
97 HA ALA 17 HA ALA 17 13.722 -6.435 1.071
98 HB1 ALA 17 HB1 ALA 17 13.200 -4.071 0.738
99 HB2 ALA 17 HB2 ALA 17 12.134 -5.073 -0.275
100 HB3 ALA 17 HB3 ALA 17 11.511 -4.348 1.226
101 H LEU 18 H LEU 18 11.232 -6.079 3.569
102 HA LEU 18 HA LEU 18 12.860 -4.493 5.363
103 HB2 LEU 18 HB2 LEU 18 10.551 -6.366 5.963
104 HB3 LEU 18 HB3 LEU 18 11.258 -5.236 7.104
105 HG LEU 18 HG LEU 18 9.797 -4.427 4.581
106 HD11 LEU 18 HD11 LEU 18 8.906 -4.420 7.484
107 HD12 LEU 18 HD12 LEU 18 8.346 -5.548 6.229
108 HD13 LEU 18 HD13 LEU 18 7.969 -3.823 6.097
109 HD21 LEU 18 HD21 LEU 18 9.765 -2.182 5.638
110 HD22 LEU 18 HD22 LEU 18 11.411 -2.720 5.257
111 HD23 LEU 18 HD23 LEU 18 10.815 -2.796 6.934
112 H GLY 19 H GLY 19 12.959 -7.848 4.486
113 HA2 GLY 19 HA2 GLY 19 15.234 -8.404 6.016
114 HA3 GLY 19 HA3 GLY 19 13.846 -8.870 7.023
115 H GLY 20 H GLY 20 16.089 -10.221 5.167
116 HA2 GLY 20 HA2 GLY 20 14.663 -11.687 3.217
117 HA3 GLY 20 HA3 GLY 20 16.230 -12.115 3.900
118 H GLY 21 H GLY 21 14.601 -12.140 6.578
119 HA2 GLY 21 HA2 GLY 21 14.130 -15.001 6.558
120 HA3 GLY 21 HA3 GLY 21 13.758 -13.878 7.887
121 H ARG 22 H ARG 22 12.226 -12.155 5.852
122 HA ARG 22 HA ARG 22 9.709 -13.462 6.229
123 HB2 ARG 22 HB2 ARG 22 10.449 -10.850 4.894
124 HB3 ARG 22 HB3 ARG 22 8.794 -11.412 5.144
125 HG2 ARG 22 HG2 ARG 22 8.979 -11.223 7.508
126 HG3 ARG 22 HG3 ARG 22 10.738 -11.020 7.434
127 HD2 ARG 22 HD2 ARG 22 10.484 -8.871 6.314
128 HD3 ARG 22 HD3 ARG 22 8.731 -9.077 6.284
129 HE ARG 22 HE ARG 22 8.624 -8.681 8.601
130 HH11 ARG 22 HH11 ARG 22 11.942 -8.453 7.482
131 HH12 ARG 22 HH12 ARG 22 12.470 -7.612 8.913
132 HH21 ARG 22 HH21 ARG 22 9.354 -7.632 10.409
133 HH22 ARG 22 HH22 ARG 22 11.027 -7.161 10.544
134 H THR 23 H THR 23 8.683 -14.679 4.738
135 HA THR 23 HA THR 23 10.038 -15.025 2.140
136 HB THR 23 HB THR 23 8.283 -16.852 1.868
137 HG1 THR 23 HG1 THR 23 7.687 -17.123 4.447
138 HG21 THR 23 HG21 THR 23 9.326 -18.363 3.503
139 HG22 THR 23 HG22 THR 23 10.003 -16.974 4.380
140 HG23 THR 23 HG23 THR 23 10.555 -17.339 2.727
141 H GLY 24 H GLY 24 7.397 -13.335 3.521
142 HA2 GLY 24 HA2 GLY 24 6.849 -11.896 1.177
143 HA3 GLY 24 HA3 GLY 24 5.684 -13.225 1.259
144 H GLY 25 H GLY 25 3.896 -11.856 1.561
145 HA2 GLY 25 HA2 GLY 25 3.429 -11.157 4.318
146 HA3 GLY 25 HA3 GLY 25 3.651 -9.718 3.301
147 H TYR 26 H TYR 26 1.328 -10.037 4.577
148 HA TYR 26 HA TYR 26 -0.602 -10.671 2.380
149 HB2 TYR 26 HB2 TYR 26 -1.031 -11.173 5.353
150 HB3 TYR 26 HB3 TYR 26 -2.160 -11.538 4.042
151 HD1 TYR 26 HD2 TYR 26 -0.818 -13.054 2.065
152 HD2 TYR 26 HD1 TYR 26 -0.053 -13.060 6.301
153 HE1 TYR 26 HE2 TYR 26 0.180 -15.332 1.889
154 HE2 TYR 26 HE1 TYR 26 0.932 -15.343 6.111
155 HH TYR 26 HH TYR 26 1.608 -17.009 4.690
156 H CYS 27 H CYS 27 -2.728 -9.437 2.938
157 HA CYS 27 HA CYS 27 -1.946 -6.809 4.116
158 HB2 CYS 27 HB2 CYS 27 -4.047 -7.356 2.012
159 HB3 CYS 27 HB3 CYS 27 -3.448 -5.776 2.556
160 H ALA 28 H ALA 28 -3.156 -5.910 5.643
161 HA ALA 28 HA ALA 28 -5.847 -6.998 6.270
162 HB1 ALA 28 HB1 ALA 28 -5.269 -7.153 8.686
163 HB2 ALA 28 HB2 ALA 28 -4.232 -8.247 7.748
164 HB3 ALA 28 HB3 ALA 28 -3.585 -6.694 8.328
165 H GLY 29 H GLY 29 -6.406 -5.259 8.424
166 HA2 GLY 29 HA2 GLY 29 -5.158 -2.706 7.992
167 HA3 GLY 29 HA3 GLY 29 -6.697 -2.812 7.119
168 HA PRO 30 HA PRO 30 -7.451 -1.306 11.533
169 HB2 PRO 30 HB2 PRO 30 -8.709 0.929 9.995
170 HB3 PRO 30 HB3 PRO 30 -7.595 1.009 11.394
171 HG2 PRO 30 HG2 PRO 30 -6.774 1.706 8.977
172 HG3 PRO 30 HG3 PRO 30 -5.718 0.722 10.046
173 HD2 PRO 30 HD2 PRO 30 -7.518 -0.207 7.797
174 HD3 PRO 30 HD3 PRO 30 -5.777 -0.569 8.095
175 H TRP 31 H TRP 31 -9.601 -0.443 12.303
176 HA TRP 31 HA TRP 31 -11.773 -2.144 11.543
177 HB2 TRP 31 HB2 TRP 31 -11.703 0.407 13.192
178 HB3 TRP 31 HB3 TRP 31 -13.083 -0.697 13.087
179 HD1 TRP 31 HD1 TRP 31 -10.021 -0.129 15.101
180 HE1 TRP 31 HE1 TRP 31 -9.506 -2.074 16.656
181 HE3 TRP 31 HE3 TRP 31 -13.266 -3.520 13.073
182 HZ2 TRP 31 HZ2 TRP 31 -10.371 -4.778 16.975
183 HZ3 TRP 31 HZ3 TRP 31 -13.383 -5.814 14.067
184 HH2 TRP 31 HH2 TRP 31 -11.935 -6.425 16.006
185 H TYR 32 H TYR 32 -10.555 0.314 9.743
186 HA TYR 32 HA TYR 32 -13.130 0.793 8.388
187 HB2 TYR 32 HB2 TYR 32 -12.479 3.214 8.102
188 HB3 TYR 32 HB3 TYR 32 -12.952 2.774 9.745
189 HD1 TYR 32 HD1 TYR 32 -10.028 3.583 7.579
190 HD2 TYR 32 HD2 TYR 32 -11.403 2.949 11.599
191 HE1 TYR 32 HE1 TYR 32 -7.877 4.489 8.456
192 HE2 TYR 32 HE2 TYR 32 -9.248 3.864 12.472
193 HH TYR 32 HH TYR 32 -7.216 4.777 11.943
194 H LEU 33 H LEU 33 -12.698 1.642 6.190
195 HA LEU 33 HA LEU 33 -11.796 1.357 4.117
196 HB2 LEU 33 HB2 LEU 33 -9.112 1.378 5.541
197 HB3 LEU 33 HB3 LEU 33 -9.314 1.387 3.800
198 HG LEU 33 HG LEU 33 -10.410 3.577 5.568
199 HD11 LEU 33 HD11 LEU 33 -7.757 3.446 4.075
200 HD12 LEU 33 HD12 LEU 33 -7.969 3.412 5.844
201 HD13 LEU 33 HD13 LEU 33 -8.413 4.865 4.929
202 HD21 LEU 33 HD21 LEU 33 -11.444 3.436 3.344
203 HD22 LEU 33 HD22 LEU 33 -9.836 3.425 2.579
204 HD23 LEU 33 HD23 LEU 33 -10.402 4.864 3.456
205 H GLY 34 H GLY 34 -9.724 -0.278 3.149
206 HA2 GLY 34 HA2 GLY 34 -10.971 -2.902 3.730
207 HA3 GLY 34 HA3 GLY 34 -10.024 -2.480 2.298
208 H HIS 35 H HIS 35 -7.895 -2.992 2.240
209 HA HIS 35 HA HIS 35 -6.668 -3.872 4.803
210 HB2 HIS 35 HB2 HIS 35 -6.221 -5.162 2.100
211 HB3 HIS 35 HB3 HIS 35 -5.579 -5.684 3.664
212 HD1 HIS 35 HD1 HIS 35 -8.348 -6.336 1.398
213 HD2 HIS 35 HD2 HIS 35 -7.754 -6.449 5.520
214 HE1 HIS 35 HE1 HIS 35 -10.210 -7.743 2.368
215 HA PRO 36 HA PRO 36 -3.891 -0.846 2.570
216 HB2 PRO 36 HB2 PRO 36 -3.942 0.661 5.149
217 HB3 PRO 36 HB3 PRO 36 -4.174 1.266 3.479
218 HG2 PRO 36 HG2 PRO 36 -6.225 1.124 5.167
219 HG3 PRO 36 HG3 PRO 36 -6.425 0.630 3.451
220 HD2 PRO 36 HD2 PRO 36 -5.906 -1.115 5.861
221 HD3 PRO 36 HD3 PRO 36 -7.189 -1.248 4.612
222 H THR 37 H THR 37 -3.737 -2.504 5.654
223 HA THR 37 HA THR 37 -0.948 -1.691 6.158
224 HB THR 37 HB THR 37 -2.864 -3.507 7.703
225 HG1 THR 37 HG1 THR 37 -2.844 -1.603 9.101
226 HG21 THR 37 HG21 THR 37 -0.551 -4.052 8.293
227 HG22 THR 37 HG22 THR 37 -1.270 -3.096 9.602
228 HG23 THR 37 HG23 THR 37 -0.153 -2.321 8.457
229 H CYS 38 H CYS 38 0.695 -2.800 5.286
230 HA CYS 38 HA CYS 38 0.335 -5.590 4.418
231 HB2 CYS 38 HB2 CYS 38 2.598 -3.582 4.355
232 HB3 CYS 38 HB3 CYS 38 2.932 -5.306 4.167
233 H THR 39 H THR 39 0.759 -7.290 5.646
234 HA THR 39 HA THR 39 2.234 -6.904 8.193
235 HB THR 39 HB THR 39 -0.123 -8.768 7.716
236 HG1 THR 39 HG1 THR 39 -0.707 -6.534 7.763
237 HG21 THR 39 HG21 THR 39 1.331 -7.955 10.265
238 HG22 THR 39 HG22 THR 39 1.434 -9.549 9.467
239 HG23 THR 39 HG23 THR 39 -0.101 -9.003 10.175
240 H CYS 40 H CYS 40 3.937 -8.388 8.325
241 HA CYS 40 HA CYS 40 4.314 -9.792 5.770
242 HB2 CYS 40 HB2 CYS 40 6.282 -9.217 7.988
243 HB3 CYS 40 HB3 CYS 40 6.659 -9.810 6.363
244 H SER 41 H SER 41 5.250 -11.827 5.551
245 HA SER 41 HA SER 41 4.506 -13.696 7.776
246 HB2 SER 41 HB2 SER 41 2.967 -13.652 5.775
247 HB3 SER 41 HB3 SER 41 4.336 -14.164 4.771
248 HG SER 41 HG SER 41 3.415 -15.598 7.050
249 H PHE 42 H PHE 42 5.758 -15.631 7.875
250 HA PHE 42 HA PHE 42 8.455 -15.481 6.600
251 HB2 PHE 42 HB2 PHE 42 7.719 -16.411 9.417
252 HB3 PHE 42 HB3 PHE 42 9.331 -16.479 8.699
253 HD1 PHE 42 HD2 PHE 42 6.666 -14.152 9.919
254 HD2 PHE 42 HD1 PHE 42 10.795 -14.587 8.788
255 HE1 PHE 42 HE2 PHE 42 7.146 -11.892 10.849
256 HE2 PHE 42 HE1 PHE 42 11.298 -12.339 9.733
257 HZ PHE 42 HZ PHE 42 9.470 -10.979 10.763
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -1.497 1.461 2.445
2 H2 GLY 1 H2 GLY 1 -1.664 0.203 1.390
3 HA2 GLY 1 HA2 GLY 1 -0.190 1.842 0.487
4 HA3 GLY 1 HA3 GLY 1 0.821 1.669 1.936
5 H PHE 2 H PHE 2 2.296 1.243 -0.147
6 HA PHE 2 HA PHE 2 3.565 -0.246 -1.316
7 HB2 PHE 2 HB2 PHE 2 2.773 -2.256 0.805
8 HB3 PHE 2 HB3 PHE 2 4.242 -2.239 -0.172
9 HD1 PHE 2 HD2 PHE 2 5.771 -0.100 0.090
10 HD2 PHE 2 HD1 PHE 2 2.789 -1.315 2.946
11 HE1 PHE 2 HE2 PHE 2 6.896 1.272 1.842
12 HE2 PHE 2 HE1 PHE 2 3.907 0.050 4.707
13 HZ PHE 2 HZ PHE 2 5.961 1.356 4.155
14 H GLY 3 H GLY 3 1.030 0.052 -2.333
15 HA2 GLY 3 HA2 GLY 3 0.042 -0.890 -4.208
16 HA3 GLY 3 HA3 GLY 3 0.803 -2.437 -3.832
17 H CYS 4 H CYS 4 -0.366 -2.057 -0.960
18 HA CYS 4 HA CYS 4 -2.922 -3.311 -1.759
19 HB2 CYS 4 HB2 CYS 4 -0.924 -3.915 0.196
20 HB3 CYS 4 HB3 CYS 4 -2.488 -3.681 1.005
21 HA PRO 5 HA PRO 5 -4.909 -4.028 -0.536
22 HB2 PRO 5 HB2 PRO 5 -7.478 -3.317 -1.093
23 HB3 PRO 5 HB3 PRO 5 -6.841 -3.397 0.577
24 HG2 PRO 5 HG2 PRO 5 -7.137 -1.007 -1.216
25 HG3 PRO 5 HG3 PRO 5 -7.669 -1.214 0.483
26 HD2 PRO 5 HD2 PRO 5 -5.349 0.034 -0.158
27 HD3 PRO 5 HD3 PRO 5 -5.499 -0.991 1.310
28 H GLY 6 H GLY 6 -4.875 -5.117 -2.430
29 HA2 GLY 6 HA2 GLY 6 -6.043 -4.997 -4.736
30 HA3 GLY 6 HA3 GLY 6 -5.026 -3.558 -4.949
31 H ASP 7 H ASP 7 -2.658 -3.925 -4.357
32 HA ASP 7 HA ASP 7 -1.805 -6.334 -5.878
33 HB2 ASP 7 HB2 ASP 7 -1.141 -4.040 -6.615
34 HB3 ASP 7 HB3 ASP 7 -0.204 -3.877 -5.127
35 H ALA 8 H ALA 8 -1.892 -7.923 -4.328
36 HA ALA 8 HA ALA 8 -0.613 -7.667 -1.752
37 HB1 ALA 8 HB1 ALA 8 -1.004 -10.099 -1.592
38 HB2 ALA 8 HB2 ALA 8 -2.460 -9.254 -2.171
39 HB3 ALA 8 HB3 ALA 8 -1.436 -10.152 -3.318
40 H TYR 9 H TYR 9 0.569 -8.437 -4.974
41 HA TYR 9 HA TYR 9 2.867 -9.959 -4.067
42 HB2 TYR 9 HB2 TYR 9 2.049 -10.217 -6.348
43 HB3 TYR 9 HB3 TYR 9 2.318 -8.498 -6.673
44 HD1 TYR 9 HD1 TYR 9 4.135 -11.658 -5.736
45 HD2 TYR 9 HD2 TYR 9 4.414 -7.715 -7.445
46 HE1 TYR 9 HE1 TYR 9 6.511 -12.093 -6.384
47 HE2 TYR 9 HE2 TYR 9 6.771 -8.163 -8.086
48 HH TYR 9 HH TYR 9 8.573 -9.541 -7.755
49 H GLN 10 H GLN 10 2.298 -6.538 -5.013
50 HA GLN 10 HA GLN 10 4.986 -5.660 -4.573
51 HB2 GLN 10 HB2 GLN 10 3.162 -4.428 -5.727
52 HB3 GLN 10 HB3 GLN 10 2.389 -4.136 -4.168
53 HG2 GLN 10 HG2 GLN 10 4.415 -2.877 -3.453
54 HG3 GLN 10 HG3 GLN 10 5.106 -3.126 -5.065
55 HE21 GLN 10 HE21 GLN 10 2.666 -2.806 -6.557
56 HE22 GLN 10 HE22 GLN 10 2.231 -1.117 -6.451
57 H CYS 11 H CYS 11 2.215 -6.087 -2.380
58 HA CYS 11 HA CYS 11 3.392 -4.924 -0.052
59 HB2 CYS 11 HB2 CYS 11 0.991 -5.541 -0.340
60 HB3 CYS 11 HB3 CYS 11 1.446 -7.245 -0.282
61 H SER 12 H SER 12 3.501 -8.223 -1.427
62 HA SER 12 HA SER 12 5.058 -9.387 0.692
63 HB2 SER 12 HB2 SER 12 3.750 -10.683 -0.990
64 HB3 SER 12 HB3 SER 12 4.880 -10.156 -2.251
65 HG SER 12 HG SER 12 5.485 -12.174 -1.505
66 H GLU 13 H GLU 13 6.033 -7.878 -2.446
67 HA GLU 13 HA GLU 13 8.782 -8.382 -2.108
68 HB2 GLU 13 HB2 GLU 13 7.315 -6.169 -3.554
69 HB3 GLU 13 HB3 GLU 13 9.075 -6.349 -3.592
70 HG2 GLU 13 HG2 GLU 13 8.756 -8.667 -4.480
71 HG3 GLU 13 HG3 GLU 13 7.025 -8.319 -4.621
72 H HIS 14 H HIS 14 6.738 -5.670 -1.032
73 HA HIS 14 HA HIS 14 8.808 -4.057 0.063
74 HB2 HIS 14 HB2 HIS 14 6.793 -2.942 0.014
75 HB3 HIS 14 HB3 HIS 14 5.865 -4.380 0.442
76 HD1 HIS 14 HD1 HIS 14 8.308 -2.007 2.237
77 HD2 HIS 14 HD2 HIS 14 4.948 -4.361 2.953
78 HE1 HIS 14 HE1 HIS 14 7.636 -1.616 4.643
79 H CYS 15 H CYS 15 6.841 -6.668 1.584
80 HA CYS 15 HA CYS 15 8.151 -6.478 4.123
81 HB2 CYS 15 HB2 CYS 15 6.599 -8.639 2.708
82 HB3 CYS 15 HB3 CYS 15 7.370 -8.939 4.270
83 H ARG 16 H ARG 16 8.839 -8.560 1.268
84 HA ARG 16 HA ARG 16 10.959 -10.008 2.546
85 HB2 ARG 16 HB2 ARG 16 10.420 -9.331 -0.358
86 HB3 ARG 16 HB3 ARG 16 11.728 -10.409 0.161
87 HG2 ARG 16 HG2 ARG 16 10.196 -12.005 1.054
88 HG3 ARG 16 HG3 ARG 16 8.845 -10.874 0.951
89 HD2 ARG 16 HD2 ARG 16 8.632 -12.482 -0.833
90 HD3 ARG 16 HD3 ARG 16 9.018 -10.897 -1.520
91 HE ARG 16 HE ARG 16 11.088 -11.689 -2.224
92 HH11 ARG 16 HH11 ARG 16 9.578 -14.165 -0.181
93 HH12 ARG 16 HH12 ARG 16 10.766 -15.363 -0.627
94 HH21 ARG 16 HH21 ARG 16 12.544 -13.278 -2.735
95 HH22 ARG 16 HH22 ARG 16 12.406 -14.872 -2.038
96 H ALA 17 H ALA 17 10.948 -6.855 0.886
97 HA ALA 17 HA ALA 17 13.774 -6.536 0.814
98 HB1 ALA 17 HB1 ALA 17 12.167 -5.143 -0.471
99 HB2 ALA 17 HB2 ALA 17 11.614 -4.402 1.051
100 HB3 ALA 17 HB3 ALA 17 13.287 -4.155 0.499
101 H LEU 18 H LEU 18 11.423 -6.082 3.435
102 HA LEU 18 HA LEU 18 13.205 -4.533 5.115
103 HB2 LEU 18 HB2 LEU 18 10.842 -6.294 5.848
104 HB3 LEU 18 HB3 LEU 18 11.654 -5.190 6.943
105 HG LEU 18 HG LEU 18 10.128 -4.326 4.476
106 HD11 LEU 18 HD11 LEU 18 9.351 -4.292 7.416
107 HD12 LEU 18 HD12 LEU 18 8.680 -5.374 6.170
108 HD13 LEU 18 HD13 LEU 18 8.392 -3.630 6.072
109 HD21 LEU 18 HD21 LEU 18 10.239 -2.081 5.527
110 HD22 LEU 18 HD22 LEU 18 11.843 -2.698 5.091
111 HD23 LEU 18 HD23 LEU 18 11.308 -2.741 6.788
112 H GLY 19 H GLY 19 13.108 -7.896 4.273
113 HA2 GLY 19 HA2 GLY 19 15.434 -8.563 5.640
114 HA3 GLY 19 HA3 GLY 19 14.120 -8.895 6.789
115 H GLY 20 H GLY 20 16.096 -10.495 4.860
116 HA2 GLY 20 HA2 GLY 20 14.397 -11.978 3.138
117 HA3 GLY 20 HA3 GLY 20 16.001 -12.457 3.691
118 H GLY 21 H GLY 21 14.621 -12.166 6.492
119 HA2 GLY 21 HA2 GLY 21 14.016 -14.983 6.791
120 HA3 GLY 21 HA3 GLY 21 13.779 -13.716 8.019
121 H ARG 22 H ARG 22 12.214 -12.138 5.884
122 HA ARG 22 HA ARG 22 9.674 -13.270 6.523
123 HB2 ARG 22 HB2 ARG 22 10.444 -10.820 4.940
124 HB3 ARG 22 HB3 ARG 22 8.780 -11.285 5.316
125 HG2 ARG 22 HG2 ARG 22 9.082 -10.912 7.639
126 HG3 ARG 22 HG3 ARG 22 10.846 -10.831 7.485
127 HD2 ARG 22 HD2 ARG 22 10.671 -8.765 6.200
128 HD3 ARG 22 HD3 ARG 22 8.907 -8.842 6.297
129 HE ARG 22 HE ARG 22 8.984 -8.179 8.530
130 HH11 ARG 22 HH11 ARG 22 12.257 -8.607 7.355
131 HH12 ARG 22 HH12 ARG 22 12.960 -7.757 8.703
132 HH21 ARG 22 HH21 ARG 22 9.933 -7.118 10.237
133 HH22 ARG 22 HH22 ARG 22 11.666 -6.944 10.310
134 H THR 23 H THR 23 8.522 -14.570 5.241
135 HA THR 23 HA THR 23 9.685 -15.434 2.720
136 HB THR 23 HB THR 23 7.530 -16.827 2.632
137 HG1 THR 23 HG1 THR 23 6.794 -16.718 5.107
138 HG21 THR 23 HG21 THR 23 8.190 -18.280 4.529
139 HG22 THR 23 HG22 THR 23 9.260 -16.997 5.132
140 HG23 THR 23 HG23 THR 23 9.591 -17.766 3.560
141 H GLY 24 H GLY 24 7.315 -13.193 3.787
142 HA2 GLY 24 HA2 GLY 24 7.049 -11.789 1.405
143 HA3 GLY 24 HA3 GLY 24 5.798 -13.044 1.367
144 H GLY 25 H GLY 25 4.060 -11.586 1.566
145 HA2 GLY 25 HA2 GLY 25 3.490 -10.925 4.325
146 HA3 GLY 25 HA3 GLY 25 3.735 -9.489 3.311
147 H TYR 26 H TYR 26 1.352 -10.001 4.574
148 HA TYR 26 HA TYR 26 -0.451 -10.521 2.245
149 HB2 TYR 26 HB2 TYR 26 -0.872 -11.384 5.136
150 HB3 TYR 26 HB3 TYR 26 -2.080 -11.495 3.848
151 HD1 TYR 26 HD2 TYR 26 -1.559 -12.985 1.805
152 HD2 TYR 26 HD1 TYR 26 0.717 -13.152 5.455
153 HE1 TYR 26 HE2 TYR 26 -0.688 -15.236 1.167
154 HE2 TYR 26 HE1 TYR 26 1.575 -15.405 4.808
155 HH TYR 26 HH TYR 26 1.571 -17.059 3.241
156 H CYS 27 H CYS 27 -2.501 -9.337 2.493
157 HA CYS 27 HA CYS 27 -1.985 -6.776 3.906
158 HB2 CYS 27 HB2 CYS 27 -4.025 -7.390 1.756
159 HB3 CYS 27 HB3 CYS 27 -3.503 -5.796 2.333
160 H ALA 28 H ALA 28 -3.215 -6.105 5.520
161 HA ALA 28 HA ALA 28 -5.892 -7.331 5.977
162 HB1 ALA 28 HB1 ALA 28 -5.373 -7.593 8.395
163 HB2 ALA 28 HB2 ALA 28 -4.253 -8.581 7.432
164 HB3 ALA 28 HB3 ALA 28 -3.705 -7.030 8.116
165 H GLY 29 H GLY 29 -6.683 -5.783 8.121
166 HA2 GLY 29 HA2 GLY 29 -5.537 -3.161 8.054
167 HA3 GLY 29 HA3 GLY 29 -6.962 -3.236 6.993
168 HA PRO 30 HA PRO 30 -8.306 -2.346 11.428
169 HB2 PRO 30 HB2 PRO 30 -9.583 -0.029 10.040
170 HB3 PRO 30 HB3 PRO 30 -8.634 -0.048 11.557
171 HG2 PRO 30 HG2 PRO 30 -7.622 1.010 9.353
172 HG3 PRO 30 HG3 PRO 30 -6.603 -0.026 10.407
173 HD2 PRO 30 HD2 PRO 30 -8.076 -0.777 7.874
174 HD3 PRO 30 HD3 PRO 30 -6.352 -1.054 8.319
175 H TRP 31 H TRP 31 -10.583 -1.776 12.075
176 HA TRP 31 HA TRP 31 -12.528 -3.490 10.850
177 HB2 TRP 31 HB2 TRP 31 -12.974 -1.168 12.757
178 HB3 TRP 31 HB3 TRP 31 -14.073 -2.524 12.457
179 HD1 TRP 31 HD1 TRP 31 -11.397 -1.480 14.781
180 HE1 TRP 31 HE1 TRP 31 -10.548 -3.390 16.230
181 HE3 TRP 31 HE3 TRP 31 -13.549 -5.335 12.194
182 HZ2 TRP 31 HZ2 TRP 31 -10.751 -6.236 16.266
183 HZ3 TRP 31 HZ3 TRP 31 -13.177 -7.676 13.001
184 HH2 TRP 31 HH2 TRP 31 -11.780 -8.109 15.024
185 H TYR 32 H TYR 32 -11.338 -0.646 9.665
186 HA TYR 32 HA TYR 32 -13.793 -0.088 8.106
187 HB2 TYR 32 HB2 TYR 32 -13.222 2.369 8.281
188 HB3 TYR 32 HB3 TYR 32 -13.840 1.647 9.770
189 HD1 TYR 32 HD1 TYR 32 -10.764 2.932 8.103
190 HD2 TYR 32 HD2 TYR 32 -12.485 1.517 11.779
191 HE1 TYR 32 HE1 TYR 32 -8.766 3.740 9.346
192 HE2 TYR 32 HE2 TYR 32 -10.480 2.341 13.023
193 HH TYR 32 HH TYR 32 -8.454 3.404 12.878
194 H LEU 33 H LEU 33 -13.200 1.095 6.115
195 HA LEU 33 HA LEU 33 -12.097 1.137 4.120
196 HB2 LEU 33 HB2 LEU 33 -9.538 0.983 5.755
197 HB3 LEU 33 HB3 LEU 33 -9.620 1.299 4.032
198 HG LEU 33 HG LEU 33 -10.903 3.120 6.076
199 HD11 LEU 33 HD11 LEU 33 -8.156 3.313 4.782
200 HD12 LEU 33 HD12 LEU 33 -8.481 2.951 6.496
201 HD13 LEU 33 HD13 LEU 33 -8.909 4.538 5.827
202 HD21 LEU 33 HD21 LEU 33 -11.780 3.364 3.794
203 HD22 LEU 33 HD22 LEU 33 -10.125 3.512 3.156
204 HD23 LEU 33 HD23 LEU 33 -10.788 4.765 4.230
205 H GLY 34 H GLY 34 -9.780 -0.343 3.274
206 HA2 GLY 34 HA2 GLY 34 -11.017 -3.048 3.358
207 HA3 GLY 34 HA3 GLY 34 -9.959 -2.423 2.086
208 H HIS 35 H HIS 35 -7.895 -3.041 2.114
209 HA HIS 35 HA HIS 35 -6.788 -4.027 4.693
210 HB2 HIS 35 HB2 HIS 35 -6.162 -5.156 1.954
211 HB3 HIS 35 HB3 HIS 35 -5.631 -5.769 3.524
212 HD1 HIS 35 HD1 HIS 35 -7.975 -6.609 1.011
213 HD2 HIS 35 HD2 HIS 35 -8.188 -6.318 5.163
214 HE1 HIS 35 HE1 HIS 35 -9.971 -7.975 1.741
215 HA PRO 36 HA PRO 36 -3.968 -0.848 2.741
216 HB2 PRO 36 HB2 PRO 36 -4.160 0.528 5.384
217 HB3 PRO 36 HB3 PRO 36 -4.324 1.213 3.740
218 HG2 PRO 36 HG2 PRO 36 -6.448 0.963 5.316
219 HG3 PRO 36 HG3 PRO 36 -6.562 0.548 3.572
220 HD2 PRO 36 HD2 PRO 36 -6.127 -1.303 5.924
221 HD3 PRO 36 HD3 PRO 36 -7.344 -1.395 4.605
222 H THR 37 H THR 37 -3.953 -2.638 5.750
223 HA THR 37 HA THR 37 -1.224 -1.815 6.452
224 HB THR 37 HB THR 37 -3.175 -3.771 7.765
225 HG1 THR 37 HG1 THR 37 -3.285 -1.950 9.269
226 HG21 THR 37 HG21 THR 37 -0.865 -4.276 8.446
227 HG22 THR 37 HG22 THR 37 -1.714 -3.458 9.770
228 HG23 THR 37 HG23 THR 37 -0.559 -2.549 8.769
229 H CYS 38 H CYS 38 0.455 -2.765 5.491
230 HA CYS 38 HA CYS 38 0.266 -5.527 4.484
231 HB2 CYS 38 HB2 CYS 38 2.366 -3.356 4.493
232 HB3 CYS 38 HB3 CYS 38 2.863 -5.042 4.293
233 H THR 39 H THR 39 0.650 -7.234 5.710
234 HA THR 39 HA THR 39 2.136 -6.862 8.250
235 HB THR 39 HB THR 39 -0.071 -8.875 7.672
236 HG1 THR 39 HG1 THR 39 -0.841 -6.709 7.790
237 HG21 THR 39 HG21 THR 39 1.307 -8.050 10.260
238 HG22 THR 39 HG22 THR 39 1.514 -9.607 9.414
239 HG23 THR 39 HG23 THR 39 -0.056 -9.182 10.130
240 H CYS 40 H CYS 40 3.930 -8.222 8.382
241 HA CYS 40 HA CYS 40 4.446 -9.628 5.844
242 HB2 CYS 40 HB2 CYS 40 6.315 -8.948 8.127
243 HB3 CYS 40 HB3 CYS 40 6.777 -9.592 6.544
244 H SER 41 H SER 41 5.122 -11.678 5.636
245 HA SER 41 HA SER 41 4.370 -13.475 7.905
246 HB2 SER 41 HB2 SER 41 3.099 -13.591 5.710
247 HB3 SER 41 HB3 SER 41 4.613 -14.091 4.930
248 HG SER 41 HG SER 41 4.644 -15.932 6.266
249 H PHE 42 H PHE 42 5.688 -15.346 8.204
250 HA PHE 42 HA PHE 42 8.471 -15.178 7.127
251 HB2 PHE 42 HB2 PHE 42 7.578 -15.908 9.946
252 HB3 PHE 42 HB3 PHE 42 9.223 -16.065 9.320
253 HD1 PHE 42 HD2 PHE 42 6.585 -13.633 10.316
254 HD2 PHE 42 HD1 PHE 42 10.698 -14.147 9.152
255 HE1 PHE 42 HE2 PHE 42 7.072 -11.302 11.042
256 HE2 PHE 42 HE1 PHE 42 11.204 -11.830 9.908
257 HZ PHE 42 HZ PHE 42 9.391 -10.398 10.855
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -1.495 1.368 2.403
2 H2 GLY 1 H2 GLY 1 -1.666 0.060 1.414
3 HA2 GLY 1 HA2 GLY 1 -0.291 1.726 0.391
4 HA3 GLY 1 HA3 GLY 1 0.798 1.612 1.791
5 H PHE 2 H PHE 2 2.237 1.155 -0.283
6 HA PHE 2 HA PHE 2 3.489 -0.335 -1.466
7 HB2 PHE 2 HB2 PHE 2 2.737 -2.336 0.671
8 HB3 PHE 2 HB3 PHE 2 4.193 -2.322 -0.326
9 HD1 PHE 2 HD2 PHE 2 5.731 -0.192 -0.080
10 HD2 PHE 2 HD1 PHE 2 2.759 -1.376 2.796
11 HE1 PHE 2 HE2 PHE 2 6.868 1.180 1.657
12 HE2 PHE 2 HE1 PHE 2 3.893 0.000 4.542
13 HZ PHE 2 HZ PHE 2 5.953 1.286 3.970
14 H GLY 3 H GLY 3 1.034 -0.052 -2.578
15 HA2 GLY 3 HA2 GLY 3 0.001 -1.078 -4.384
16 HA3 GLY 3 HA3 GLY 3 0.768 -2.609 -3.949
17 H CYS 4 H CYS 4 -0.471 -1.978 -1.077
18 HA CYS 4 HA CYS 4 -3.016 -3.286 -1.824
19 HB2 CYS 4 HB2 CYS 4 -0.994 -3.830 0.136
20 HB3 CYS 4 HB3 CYS 4 -2.564 -3.593 0.934
21 HA PRO 5 HA PRO 5 -5.057 -3.880 -0.843
22 HB2 PRO 5 HB2 PRO 5 -7.565 -2.995 -1.435
23 HB3 PRO 5 HB3 PRO 5 -7.004 -3.211 0.255
24 HG2 PRO 5 HG2 PRO 5 -7.095 -0.696 -1.402
25 HG3 PRO 5 HG3 PRO 5 -7.721 -0.977 0.255
26 HD2 PRO 5 HD2 PRO 5 -5.310 0.177 -0.191
27 HD3 PRO 5 HD3 PRO 5 -5.580 -0.937 1.191
28 H GLY 6 H GLY 6 -5.347 -4.812 -2.872
29 HA2 GLY 6 HA2 GLY 6 -6.195 -4.112 -5.247
30 HA3 GLY 6 HA3 GLY 6 -4.799 -3.015 -5.169
31 H ASP 7 H ASP 7 -2.703 -4.114 -4.419
32 HA ASP 7 HA ASP 7 -2.514 -6.841 -5.664
33 HB2 ASP 7 HB2 ASP 7 -1.489 -5.190 -7.134
34 HB3 ASP 7 HB3 ASP 7 -0.534 -4.542 -5.788
35 H ALA 8 H ALA 8 -1.944 -8.322 -4.281
36 HA ALA 8 HA ALA 8 -0.717 -7.642 -1.724
37 HB1 ALA 8 HB1 ALA 8 -0.877 -10.073 -1.307
38 HB2 ALA 8 HB2 ALA 8 -2.421 -9.410 -1.886
39 HB3 ALA 8 HB3 ALA 8 -1.383 -10.339 -2.998
40 H TYR 9 H TYR 9 0.464 -8.532 -4.913
41 HA TYR 9 HA TYR 9 2.809 -9.937 -4.010
42 HB2 TYR 9 HB2 TYR 9 1.993 -10.199 -6.283
43 HB3 TYR 9 HB3 TYR 9 2.264 -8.483 -6.614
44 HD1 TYR 9 HD1 TYR 9 4.096 -11.616 -5.608
45 HD2 TYR 9 HD2 TYR 9 4.337 -7.715 -7.421
46 HE1 TYR 9 HE1 TYR 9 6.477 -12.037 -6.239
47 HE2 TYR 9 HE2 TYR 9 6.698 -8.156 -8.046
48 HH TYR 9 HH TYR 9 8.512 -9.508 -7.687
49 H GLN 10 H GLN 10 2.290 -6.489 -4.979
50 HA GLN 10 HA GLN 10 4.990 -5.696 -4.496
51 HB2 GLN 10 HB2 GLN 10 3.202 -4.382 -5.661
52 HB3 GLN 10 HB3 GLN 10 2.479 -4.037 -4.087
53 HG2 GLN 10 HG2 GLN 10 4.581 -2.912 -3.389
54 HG3 GLN 10 HG3 GLN 10 5.271 -3.251 -4.984
55 HE21 GLN 10 HE21 GLN 10 3.513 -2.582 -6.794
56 HE22 GLN 10 HE22 GLN 10 2.990 -0.924 -6.630
57 H CYS 11 H CYS 11 2.221 -6.079 -2.298
58 HA CYS 11 HA CYS 11 3.434 -4.915 0.020
59 HB2 CYS 11 HB2 CYS 11 1.015 -5.477 -0.252
60 HB3 CYS 11 HB3 CYS 11 1.428 -7.189 -0.177
61 H SER 12 H SER 12 3.432 -8.225 -1.330
62 HA SER 12 HA SER 12 4.999 -9.421 0.756
63 HB2 SER 12 HB2 SER 12 3.656 -10.689 -0.909
64 HB3 SER 12 HB3 SER 12 4.756 -10.157 -2.194
65 HG SER 12 HG SER 12 5.358 -12.189 -1.502
66 H GLU 13 H GLU 13 5.948 -7.898 -2.386
67 HA GLU 13 HA GLU 13 8.702 -8.426 -2.110
68 HB2 GLU 13 HB2 GLU 13 7.238 -6.156 -3.470
69 HB3 GLU 13 HB3 GLU 13 8.992 -6.371 -3.553
70 HG2 GLU 13 HG2 GLU 13 8.621 -8.636 -4.506
71 HG3 GLU 13 HG3 GLU 13 6.888 -8.269 -4.591
72 H HIS 14 H HIS 14 6.724 -5.695 -0.974
73 HA HIS 14 HA HIS 14 8.834 -4.128 0.102
74 HB2 HIS 14 HB2 HIS 14 6.788 -3.024 0.036
75 HB3 HIS 14 HB3 HIS 14 5.889 -4.436 0.594
76 HD1 HIS 14 HD1 HIS 14 8.439 -1.991 2.126
77 HD2 HIS 14 HD2 HIS 14 5.092 -4.248 3.134
78 HE1 HIS 14 HE1 HIS 14 7.893 -1.458 4.536
79 H CYS 15 H CYS 15 6.828 -6.705 1.632
80 HA CYS 15 HA CYS 15 8.164 -6.561 4.150
81 HB2 CYS 15 HB2 CYS 15 6.557 -8.674 2.740
82 HB3 CYS 15 HB3 CYS 15 7.335 -9.007 4.292
83 H ARG 16 H ARG 16 8.808 -8.650 1.280
84 HA ARG 16 HA ARG 16 10.934 -10.127 2.516
85 HB2 ARG 16 HB2 ARG 16 10.405 -9.370 -0.381
86 HB3 ARG 16 HB3 ARG 16 11.701 -10.471 0.122
87 HG2 ARG 16 HG2 ARG 16 10.148 -12.082 0.950
88 HG3 ARG 16 HG3 ARG 16 8.796 -10.953 0.842
89 HD2 ARG 16 HD2 ARG 16 8.669 -12.513 -1.010
90 HD3 ARG 16 HD3 ARG 16 9.049 -10.887 -1.622
91 HE ARG 16 HE ARG 16 11.181 -11.600 -2.245
92 HH11 ARG 16 HH11 ARG 16 9.575 -14.231 -0.495
93 HH12 ARG 16 HH12 ARG 16 10.793 -15.386 -0.970
94 HH21 ARG 16 HH21 ARG 16 12.663 -13.143 -2.808
95 HH22 ARG 16 HH22 ARG 16 12.502 -14.785 -2.248
96 H ALA 17 H ALA 17 10.923 -6.957 0.887
97 HA ALA 17 HA ALA 17 13.753 -6.664 0.781
98 HB1 ALA 17 HB1 ALA 17 13.280 -4.283 0.431
99 HB2 ALA 17 HB2 ALA 17 12.168 -5.291 -0.527
100 HB3 ALA 17 HB3 ALA 17 11.603 -4.516 0.978
101 H LEU 18 H LEU 18 11.414 -6.118 3.394
102 HA LEU 18 HA LEU 18 13.183 -4.542 5.043
103 HB2 LEU 18 HB2 LEU 18 10.842 -6.323 5.791
104 HB3 LEU 18 HB3 LEU 18 11.659 -5.241 6.900
105 HG LEU 18 HG LEU 18 10.122 -4.328 4.461
106 HD11 LEU 18 HD11 LEU 18 8.394 -3.670 6.074
107 HD12 LEU 18 HD12 LEU 18 9.363 -4.344 7.405
108 HD13 LEU 18 HD13 LEU 18 8.686 -5.415 6.149
109 HD21 LEU 18 HD21 LEU 18 10.238 -2.102 5.560
110 HD22 LEU 18 HD22 LEU 18 11.837 -2.713 5.100
111 HD23 LEU 18 HD23 LEU 18 11.315 -2.786 6.798
112 H GLY 19 H GLY 19 13.160 -7.935 4.270
113 HA2 GLY 19 HA2 GLY 19 15.513 -8.455 5.696
114 HA3 GLY 19 HA3 GLY 19 14.180 -8.872 6.792
115 H GLY 20 H GLY 20 16.320 -10.318 4.934
116 HA2 GLY 20 HA2 GLY 20 14.864 -11.864 3.083
117 HA3 GLY 20 HA3 GLY 20 16.416 -12.296 3.790
118 H GLY 21 H GLY 21 14.832 -12.153 6.476
119 HA2 GLY 21 HA2 GLY 21 14.251 -14.990 6.587
120 HA3 GLY 21 HA3 GLY 21 13.959 -13.807 7.880
121 H ARG 22 H ARG 22 12.421 -12.106 5.829
122 HA ARG 22 HA ARG 22 9.878 -13.349 6.255
123 HB2 ARG 22 HB2 ARG 22 10.657 -10.760 4.896
124 HB3 ARG 22 HB3 ARG 22 8.993 -11.296 5.149
125 HG2 ARG 22 HG2 ARG 22 9.173 -11.101 7.509
126 HG3 ARG 22 HG3 ARG 22 10.939 -10.924 7.438
127 HD2 ARG 22 HD2 ARG 22 10.664 -8.781 6.234
128 HD3 ARG 22 HD3 ARG 22 8.909 -8.946 6.381
129 HE ARG 22 HE ARG 22 9.044 -8.531 8.694
130 HH11 ARG 22 HH11 ARG 22 12.242 -8.427 7.261
131 HH12 ARG 22 HH12 ARG 22 12.939 -7.603 8.631
132 HH21 ARG 22 HH21 ARG 22 9.987 -7.508 10.422
133 HH22 ARG 22 HH22 ARG 22 11.682 -7.102 10.391
134 H THR 23 H THR 23 8.838 -14.581 4.791
135 HA THR 23 HA THR 23 10.190 -14.929 2.179
136 HB THR 23 HB THR 23 8.579 -16.872 1.973
137 HG1 THR 23 HG1 THR 23 7.986 -17.075 4.575
138 HG21 THR 23 HG21 THR 23 9.704 -18.270 3.640
139 HG22 THR 23 HG22 THR 23 10.261 -16.825 4.510
140 HG23 THR 23 HG23 THR 23 10.870 -17.173 2.874
141 H GLY 24 H GLY 24 7.555 -13.260 3.572
142 HA2 GLY 24 HA2 GLY 24 6.862 -12.035 1.144
143 HA3 GLY 24 HA3 GLY 24 5.718 -13.352 1.429
144 H GLY 25 H GLY 25 4.006 -11.848 1.611
145 HA2 GLY 25 HA2 GLY 25 3.521 -11.065 4.326
146 HA3 GLY 25 HA3 GLY 25 3.836 -9.646 3.296
147 H TYR 26 H TYR 26 1.407 -9.949 4.498
148 HA TYR 26 HA TYR 26 -0.397 -10.503 2.180
149 HB2 TYR 26 HB2 TYR 26 -0.957 -11.226 5.079
150 HB3 TYR 26 HB3 TYR 26 -2.034 -11.483 3.698
151 HD1 TYR 26 HD2 TYR 26 -0.982 -12.971 1.727
152 HD2 TYR 26 HD1 TYR 26 0.385 -13.020 5.805
153 HE1 TYR 26 HE2 TYR 26 0.068 -15.215 1.359
154 HE2 TYR 26 HE1 TYR 26 1.402 -15.266 5.433
155 HH TYR 26 HH TYR 26 1.837 -16.924 3.949
156 H CYS 27 H CYS 27 -2.521 -9.340 2.539
157 HA CYS 27 HA CYS 27 -1.981 -6.766 3.944
158 HB2 CYS 27 HB2 CYS 27 -3.983 -7.321 1.746
159 HB3 CYS 27 HB3 CYS 27 -3.473 -5.746 2.371
160 H ALA 28 H ALA 28 -3.392 -6.019 5.435
161 HA ALA 28 HA ALA 28 -6.026 -7.329 5.781
162 HB1 ALA 28 HB1 ALA 28 -5.637 -7.665 8.210
163 HB2 ALA 28 HB2 ALA 28 -4.444 -8.595 7.283
164 HB3 ALA 28 HB3 ALA 28 -3.969 -7.061 8.042
165 H GLY 29 H GLY 29 -6.868 -5.844 8.026
166 HA2 GLY 29 HA2 GLY 29 -5.773 -3.209 8.017
167 HA3 GLY 29 HA3 GLY 29 -7.161 -3.275 6.916
168 HA PRO 30 HA PRO 30 -8.676 -2.311 11.289
169 HB2 PRO 30 HB2 PRO 30 -9.730 0.064 9.822
170 HB3 PRO 30 HB3 PRO 30 -8.877 -0.002 11.388
171 HG2 PRO 30 HG2 PRO 30 -7.678 0.982 9.254
172 HG3 PRO 30 HG3 PRO 30 -6.786 -0.126 10.355
173 HD2 PRO 30 HD2 PRO 30 -8.190 -0.784 7.752
174 HD3 PRO 30 HD3 PRO 30 -6.501 -1.143 8.258
175 H TRP 31 H TRP 31 -10.935 -1.477 11.765
176 HA TRP 31 HA TRP 31 -12.947 -3.139 10.628
177 HB2 TRP 31 HB2 TRP 31 -13.376 -0.514 12.096
178 HB3 TRP 31 HB3 TRP 31 -14.482 -1.895 11.998
179 HD1 TRP 31 HD1 TRP 31 -11.896 -0.435 14.203
180 HE1 TRP 31 HE1 TRP 31 -11.207 -2.006 16.072
181 HE3 TRP 31 HE3 TRP 31 -14.030 -4.705 12.360
182 HZ2 TRP 31 HZ2 TRP 31 -11.546 -4.759 16.725
183 HZ3 TRP 31 HZ3 TRP 31 -13.820 -6.818 13.688
184 HH2 TRP 31 HH2 TRP 31 -12.574 -6.829 15.847
185 H TYR 32 H TYR 32 -11.514 -0.574 9.092
186 HA TYR 32 HA TYR 32 -13.903 -0.034 7.430
187 HB2 TYR 32 HB2 TYR 32 -13.188 2.415 7.411
188 HB3 TYR 32 HB3 TYR 32 -13.954 1.841 8.895
189 HD1 TYR 32 HD1 TYR 32 -10.647 2.733 7.383
190 HD2 TYR 32 HD2 TYR 32 -12.810 1.891 11.008
191 HE1 TYR 32 HE1 TYR 32 -8.709 3.534 8.727
192 HE2 TYR 32 HE2 TYR 32 -10.852 2.673 12.343
193 HH TYR 32 HH TYR 32 -8.744 3.565 12.293
194 H LEU 33 H LEU 33 -13.313 0.931 5.386
195 HA LEU 33 HA LEU 33 -12.235 0.846 3.397
196 HB2 LEU 33 HB2 LEU 33 -9.647 0.815 4.992
197 HB3 LEU 33 HB3 LEU 33 -9.777 1.078 3.260
198 HG LEU 33 HG LEU 33 -11.000 2.932 5.317
199 HD11 LEU 33 HD11 LEU 33 -8.392 3.185 3.765
200 HD12 LEU 33 HD12 LEU 33 -8.539 2.863 5.515
201 HD13 LEU 33 HD13 LEU 33 -9.101 4.409 4.846
202 HD21 LEU 33 HD21 LEU 33 -12.099 3.076 3.130
203 HD22 LEU 33 HD22 LEU 33 -10.518 3.218 2.321
204 HD23 LEU 33 HD23 LEU 33 -11.099 4.511 3.400
205 H GLY 34 H GLY 34 -9.955 -0.662 2.566
206 HA2 GLY 34 HA2 GLY 34 -11.204 -3.336 2.812
207 HA3 GLY 34 HA3 GLY 34 -10.079 -2.812 1.555
208 H HIS 35 H HIS 35 -7.914 -3.115 1.811
209 HA HIS 35 HA HIS 35 -7.012 -4.203 4.433
210 HB2 HIS 35 HB2 HIS 35 -6.167 -5.225 1.699
211 HB3 HIS 35 HB3 HIS 35 -5.637 -5.832 3.274
212 HD1 HIS 35 HD1 HIS 35 -8.565 -5.979 0.882
213 HD2 HIS 35 HD2 HIS 35 -7.447 -7.471 4.608
214 HE1 HIS 35 HE1 HIS 35 -10.208 -7.809 1.472
215 HA PRO 36 HA PRO 36 -4.288 -0.783 2.742
216 HB2 PRO 36 HB2 PRO 36 -4.641 0.428 5.453
217 HB3 PRO 36 HB3 PRO 36 -4.791 1.195 3.842
218 HG2 PRO 36 HG2 PRO 36 -6.948 0.719 5.322
219 HG3 PRO 36 HG3 PRO 36 -6.972 0.396 3.553
220 HD2 PRO 36 HD2 PRO 36 -6.510 -1.550 5.815
221 HD3 PRO 36 HD3 PRO 36 -7.673 -1.650 4.448
222 H THR 37 H THR 37 -4.187 -2.707 5.668
223 HA THR 37 HA THR 37 -1.499 -1.750 6.402
224 HB THR 37 HB THR 37 -3.381 -3.770 7.703
225 HG1 THR 37 HG1 THR 37 -3.543 -1.957 9.218
226 HG21 THR 37 HG21 THR 37 -1.094 -4.235 8.418
227 HG22 THR 37 HG22 THR 37 -1.934 -3.375 9.723
228 HG23 THR 37 HG23 THR 37 -0.790 -2.492 8.687
229 H CYS 38 H CYS 38 0.255 -2.671 5.533
230 HA CYS 38 HA CYS 38 0.143 -5.421 4.478
231 HB2 CYS 38 HB2 CYS 38 2.185 -3.212 4.575
232 HB3 CYS 38 HB3 CYS 38 2.754 -4.882 4.429
233 H THR 39 H THR 39 0.795 -7.184 5.573
234 HA THR 39 HA THR 39 2.134 -6.836 8.200
235 HB THR 39 HB THR 39 -0.101 -8.813 7.556
236 HG1 THR 39 HG1 THR 39 -0.782 -6.606 7.764
237 HG21 THR 39 HG21 THR 39 1.311 -8.107 10.163
238 HG22 THR 39 HG22 THR 39 1.465 -9.637 9.263
239 HG23 THR 39 HG23 THR 39 -0.086 -9.195 10.007
240 H CYS 40 H CYS 40 3.896 -8.266 8.369
241 HA CYS 40 HA CYS 40 4.481 -9.579 5.799
242 HB2 CYS 40 HB2 CYS 40 6.268 -8.987 8.166
243 HB3 CYS 40 HB3 CYS 40 6.793 -9.630 6.607
244 H SER 41 H SER 41 5.394 -11.613 5.586
245 HA SER 41 HA SER 41 4.647 -13.500 7.787
246 HB2 SER 41 HB2 SER 41 3.177 -13.513 5.707
247 HB3 SER 41 HB3 SER 41 4.607 -14.040 4.789
248 HG SER 41 HG SER 41 4.695 -15.904 6.092
249 H PHE 42 H PHE 42 5.957 -15.380 7.917
250 HA PHE 42 HA PHE 42 8.664 -15.169 6.663
251 HB2 PHE 42 HB2 PHE 42 7.898 -16.187 9.435
252 HB3 PHE 42 HB3 PHE 42 9.516 -16.222 8.737
253 HD1 PHE 42 HD2 PHE 42 6.817 -13.976 10.013
254 HD2 PHE 42 HD1 PHE 42 10.951 -14.285 8.856
255 HE1 PHE 42 HE2 PHE 42 7.255 -11.731 10.999
256 HE2 PHE 42 HE1 PHE 42 11.407 -12.050 9.854
257 HZ PHE 42 HZ PHE 42 9.550 -10.759 10.928
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -1.020 1.549 2.215
2 H2 GLY 1 H2 GLY 1 -1.289 0.191 1.319
3 HA2 GLY 1 HA2 GLY 1 -0.045 1.773 0.042
4 HA3 GLY 1 HA3 GLY 1 1.181 1.794 1.330
5 H PHE 2 H PHE 2 2.430 1.197 -0.810
6 HA PHE 2 HA PHE 2 3.618 -0.361 -1.981
7 HB2 PHE 2 HB2 PHE 2 3.078 -2.169 0.393
8 HB3 PHE 2 HB3 PHE 2 4.412 -2.281 -0.764
9 HD1 PHE 2 HD2 PHE 2 6.060 -0.289 -0.889
10 HD2 PHE 2 HD1 PHE 2 3.293 -0.882 2.355
11 HE1 PHE 2 HE2 PHE 2 7.409 1.253 0.534
12 HE2 PHE 2 HE1 PHE 2 4.636 0.656 3.787
13 HZ PHE 2 HZ PHE 2 6.687 1.737 2.872
14 H GLY 3 H GLY 3 1.080 -0.154 -2.861
15 HA2 GLY 3 HA2 GLY 3 -0.005 -1.282 -4.581
16 HA3 GLY 3 HA3 GLY 3 0.716 -2.804 -4.039
17 H CYS 4 H CYS 4 -0.205 -2.149 -1.203
18 HA CYS 4 HA CYS 4 -2.893 -3.266 -1.675
19 HB2 CYS 4 HB2 CYS 4 -0.808 -3.751 0.230
20 HB3 CYS 4 HB3 CYS 4 -2.328 -3.373 1.077
21 HA PRO 5 HA PRO 5 -4.870 -3.678 -0.324
22 HB2 PRO 5 HB2 PRO 5 -7.399 -2.809 -0.825
23 HB3 PRO 5 HB3 PRO 5 -6.679 -2.771 0.815
24 HG2 PRO 5 HG2 PRO 5 -6.881 -0.556 -1.200
25 HG3 PRO 5 HG3 PRO 5 -7.329 -0.547 0.535
26 HD2 PRO 5 HD2 PRO 5 -4.952 0.422 -0.353
27 HD3 PRO 5 HD3 PRO 5 -5.106 -0.428 1.220
28 H GLY 6 H GLY 6 -4.889 -4.923 -2.117
29 HA2 GLY 6 HA2 GLY 6 -6.193 -4.946 -4.372
30 HA3 GLY 6 HA3 GLY 6 -5.109 -3.601 -4.762
31 H ASP 7 H ASP 7 -2.727 -4.080 -4.272
32 HA ASP 7 HA ASP 7 -2.130 -6.669 -5.612
33 HB2 ASP 7 HB2 ASP 7 -1.371 -4.532 -6.634
34 HB3 ASP 7 HB3 ASP 7 -0.362 -4.243 -5.211
35 H ALA 8 H ALA 8 -2.027 -8.189 -4.060
36 HA ALA 8 HA ALA 8 -0.663 -7.806 -1.541
37 HB1 ALA 8 HB1 ALA 8 -0.996 -10.234 -1.279
38 HB2 ALA 8 HB2 ALA 8 -2.491 -9.436 -1.822
39 HB3 ALA 8 HB3 ALA 8 -1.503 -10.361 -2.979
40 H TYR 9 H TYR 9 0.443 -8.660 -4.778
41 HA TYR 9 HA TYR 9 2.778 -10.132 -3.874
42 HB2 TYR 9 HB2 TYR 9 1.974 -10.519 -6.120
43 HB3 TYR 9 HB3 TYR 9 2.117 -8.799 -6.519
44 HD1 TYR 9 HD1 TYR 9 4.166 -11.793 -5.527
45 HD2 TYR 9 HD2 TYR 9 4.145 -7.884 -7.334
46 HE1 TYR 9 HE1 TYR 9 6.564 -12.074 -6.197
47 HE2 TYR 9 HE2 TYR 9 6.519 -8.178 -7.989
48 HH TYR 9 HH TYR 9 8.421 -9.405 -7.625
49 H GLN 10 H GLN 10 2.182 -6.749 -4.938
50 HA GLN 10 HA GLN 10 4.900 -5.912 -4.602
51 HB2 GLN 10 HB2 GLN 10 3.066 -4.702 -5.790
52 HB3 GLN 10 HB3 GLN 10 2.380 -4.262 -4.227
53 HG2 GLN 10 HG2 GLN 10 4.496 -3.058 -3.689
54 HG3 GLN 10 HG3 GLN 10 5.110 -3.474 -5.297
55 HE21 GLN 10 HE21 GLN 10 2.878 -3.088 -6.882
56 HE22 GLN 10 HE22 GLN 10 2.448 -1.393 -6.857
57 H CYS 11 H CYS 11 2.180 -6.218 -2.343
58 HA CYS 11 HA CYS 11 3.440 -4.986 -0.083
59 HB2 CYS 11 HB2 CYS 11 1.027 -5.515 -0.244
60 HB3 CYS 11 HB3 CYS 11 1.405 -7.236 -0.224
61 H SER 12 H SER 12 3.439 -8.334 -1.349
62 HA SER 12 HA SER 12 5.011 -9.487 0.754
63 HB2 SER 12 HB2 SER 12 3.688 -10.781 -0.911
64 HB3 SER 12 HB3 SER 12 4.797 -10.259 -2.188
65 HG SER 12 HG SER 12 5.416 -12.270 -1.479
66 H GLU 13 H GLU 13 5.959 -7.944 -2.369
67 HA GLU 13 HA GLU 13 8.716 -8.420 -2.079
68 HB2 GLU 13 HB2 GLU 13 7.223 -6.161 -3.426
69 HB3 GLU 13 HB3 GLU 13 8.977 -6.363 -3.517
70 HG2 GLU 13 HG2 GLU 13 8.636 -8.609 -4.510
71 HG3 GLU 13 HG3 GLU 13 6.892 -8.305 -4.532
72 H HIS 14 H HIS 14 6.672 -5.721 -0.939
73 HA HIS 14 HA HIS 14 8.785 -4.173 0.190
74 HB2 HIS 14 HB2 HIS 14 6.654 -3.149 -0.050
75 HB3 HIS 14 HB3 HIS 14 5.836 -4.459 0.811
76 HD1 HIS 14 HD1 HIS 14 8.558 -1.891 1.728
77 HD2 HIS 14 HD2 HIS 14 5.210 -3.787 3.313
78 HE1 HIS 14 HE1 HIS 14 8.224 -0.961 4.051
79 H CYS 15 H CYS 15 6.740 -6.759 1.632
80 HA CYS 15 HA CYS 15 7.937 -6.612 4.218
81 HB2 CYS 15 HB2 CYS 15 6.487 -8.763 2.688
82 HB3 CYS 15 HB3 CYS 15 7.206 -9.100 4.266
83 H ARG 16 H ARG 16 8.785 -8.613 1.353
84 HA ARG 16 HA ARG 16 10.942 -10.007 2.640
85 HB2 ARG 16 HB2 ARG 16 10.441 -9.246 -0.252
86 HB3 ARG 16 HB3 ARG 16 11.781 -10.286 0.260
87 HG2 ARG 16 HG2 ARG 16 10.308 -11.998 0.998
88 HG3 ARG 16 HG3 ARG 16 8.904 -10.923 0.967
89 HD2 ARG 16 HD2 ARG 16 8.783 -12.406 -0.941
90 HD3 ARG 16 HD3 ARG 16 9.087 -10.754 -1.494
91 HE ARG 16 HE ARG 16 11.210 -11.359 -2.217
92 HH11 ARG 16 HH11 ARG 16 9.770 -14.102 -0.495
93 HH12 ARG 16 HH12 ARG 16 11.005 -15.202 -1.056
94 HH21 ARG 16 HH21 ARG 16 12.732 -12.829 -2.884
95 HH22 ARG 16 HH22 ARG 16 12.637 -14.496 -2.386
96 H ALA 17 H ALA 17 10.823 -6.828 1.030
97 HA ALA 17 HA ALA 17 13.639 -6.389 1.072
98 HB1 ALA 17 HB1 ALA 17 12.026 -5.104 -0.335
99 HB2 ALA 17 HB2 ALA 17 11.389 -4.335 1.141
100 HB3 ALA 17 HB3 ALA 17 13.072 -4.046 0.646
101 H LEU 18 H LEU 18 11.129 -5.941 3.539
102 HA LEU 18 HA LEU 18 12.703 -4.263 5.281
103 HB2 LEU 18 HB2 LEU 18 10.412 -6.170 5.853
104 HB3 LEU 18 HB3 LEU 18 11.130 -5.117 7.060
105 HG LEU 18 HG LEU 18 9.721 -4.106 4.576
106 HD11 LEU 18 HD11 LEU 18 8.205 -5.337 6.078
107 HD12 LEU 18 HD12 LEU 18 7.865 -3.598 6.118
108 HD13 LEU 18 HD13 LEU 18 8.762 -4.354 7.456
109 HD21 LEU 18 HD21 LEU 18 9.683 -1.962 5.834
110 HD22 LEU 18 HD22 LEU 18 11.334 -2.486 5.444
111 HD23 LEU 18 HD23 LEU 18 10.701 -2.703 7.095
112 H GLY 19 H GLY 19 12.912 -7.651 4.531
113 HA2 GLY 19 HA2 GLY 19 15.225 -8.024 6.081
114 HA3 GLY 19 HA3 GLY 19 13.861 -8.549 7.088
115 H GLY 20 H GLY 20 16.196 -9.848 5.371
116 HA2 GLY 20 HA2 GLY 20 14.933 -11.456 3.419
117 HA3 GLY 20 HA3 GLY 20 16.474 -11.793 4.204
118 H GLY 21 H GLY 21 14.738 -11.730 6.800
119 HA2 GLY 21 HA2 GLY 21 14.324 -14.600 6.909
120 HA3 GLY 21 HA3 GLY 21 13.896 -13.420 8.169
121 H ARG 22 H ARG 22 12.372 -11.849 5.988
122 HA ARG 22 HA ARG 22 9.895 -13.230 6.374
123 HB2 ARG 22 HB2 ARG 22 10.537 -10.600 5.044
124 HB3 ARG 22 HB3 ARG 22 8.902 -11.231 5.274
125 HG2 ARG 22 HG2 ARG 22 9.043 -11.044 7.637
126 HG3 ARG 22 HG3 ARG 22 10.800 -10.773 7.587
127 HD2 ARG 22 HD2 ARG 22 10.453 -8.632 6.452
128 HD3 ARG 22 HD3 ARG 22 8.703 -8.898 6.485
129 HE ARG 22 HE ARG 22 8.689 -8.561 8.830
130 HH11 ARG 22 HH11 ARG 22 11.914 -8.105 7.521
131 HH12 ARG 22 HH12 ARG 22 12.475 -7.247 8.931
132 HH21 ARG 22 HH21 ARG 22 9.464 -7.475 10.613
133 HH22 ARG 22 HH22 ARG 22 11.115 -6.913 10.647
134 H THR 23 H THR 23 8.957 -14.511 4.888
135 HA THR 23 HA THR 23 10.359 -14.775 2.297
136 HB THR 23 HB THR 23 8.815 -16.777 2.045
137 HG1 THR 23 HG1 THR 23 8.280 -16.932 4.711
138 HG21 THR 23 HG21 THR 23 9.986 -18.153 3.728
139 HG22 THR 23 HG22 THR 23 10.539 -16.686 4.559
140 HG23 THR 23 HG23 THR 23 11.110 -17.044 2.911
141 H GLY 24 H GLY 24 7.597 -13.259 3.631
142 HA2 GLY 24 HA2 GLY 24 6.910 -12.039 1.189
143 HA3 GLY 24 HA3 GLY 24 5.835 -13.420 1.431
144 H GLY 25 H GLY 25 4.044 -11.975 1.572
145 HA2 GLY 25 HA2 GLY 25 3.405 -11.308 4.265
146 HA3 GLY 25 HA3 GLY 25 3.817 -9.832 3.375
147 H TYR 26 H TYR 26 1.361 -10.158 4.459
148 HA TYR 26 HA TYR 26 -0.398 -10.387 2.046
149 HB2 TYR 26 HB2 TYR 26 -1.050 -11.413 4.839
150 HB3 TYR 26 HB3 TYR 26 -2.105 -11.479 3.417
151 HD1 TYR 26 HD2 TYR 26 -1.296 -12.876 1.381
152 HD2 TYR 26 HD1 TYR 26 0.499 -13.178 5.285
153 HE1 TYR 26 HE2 TYR 26 -0.289 -15.073 0.756
154 HE2 TYR 26 HE1 TYR 26 1.495 -15.380 4.649
155 HH TYR 26 HH TYR 26 1.760 -16.939 3.007
156 H CYS 27 H CYS 27 -2.629 -9.270 2.728
157 HA CYS 27 HA CYS 27 -1.833 -6.790 4.184
158 HB2 CYS 27 HB2 CYS 27 -3.941 -7.089 2.037
159 HB3 CYS 27 HB3 CYS 27 -3.336 -5.581 2.755
160 H ALA 28 H ALA 28 -3.201 -5.762 5.547
161 HA ALA 28 HA ALA 28 -5.875 -6.846 6.150
162 HB1 ALA 28 HB1 ALA 28 -5.360 -7.099 8.569
163 HB2 ALA 28 HB2 ALA 28 -4.338 -8.204 7.619
164 HB3 ALA 28 HB3 ALA 28 -3.647 -6.695 8.267
165 H GLY 29 H GLY 29 -6.366 -5.140 8.360
166 HA2 GLY 29 HA2 GLY 29 -4.999 -2.629 7.897
167 HA3 GLY 29 HA3 GLY 29 -6.629 -2.647 7.212
168 HA PRO 30 HA PRO 30 -6.673 -1.336 11.776
169 HB2 PRO 30 HB2 PRO 30 -7.662 1.201 10.542
170 HB3 PRO 30 HB3 PRO 30 -6.444 0.974 11.831
171 HG2 PRO 30 HG2 PRO 30 -5.707 1.751 9.415
172 HG3 PRO 30 HG3 PRO 30 -4.754 0.511 10.293
173 HD2 PRO 30 HD2 PRO 30 -6.867 0.106 8.168
174 HD3 PRO 30 HD3 PRO 30 -5.193 -0.551 8.256
175 H TRP 31 H TRP 31 -8.565 -0.165 12.793
176 HA TRP 31 HA TRP 31 -11.067 -1.403 12.166
177 HB2 TRP 31 HB2 TRP 31 -10.375 0.983 13.915
178 HB3 TRP 31 HB3 TRP 31 -11.951 0.171 13.884
179 HD1 TRP 31 HD1 TRP 31 -8.685 -0.001 15.637
180 HE1 TRP 31 HE1 TRP 31 -8.433 -2.121 17.019
181 HE3 TRP 31 HE3 TRP 31 -12.666 -2.574 13.708
182 HZ2 TRP 31 HZ2 TRP 31 -9.790 -4.620 17.274
183 HZ3 TRP 31 HZ3 TRP 31 -13.148 -4.867 14.581
184 HH2 TRP 31 HH2 TRP 31 -11.706 -5.877 16.348
185 H TYR 32 H TYR 32 -9.588 0.897 10.358
186 HA TYR 32 HA TYR 32 -12.141 1.880 9.262
187 HB2 TYR 32 HB2 TYR 32 -11.058 4.155 8.968
188 HB3 TYR 32 HB3 TYR 32 -11.511 3.746 10.628
189 HD1 TYR 32 HD1 TYR 32 -8.607 4.083 8.305
190 HD2 TYR 32 HD2 TYR 32 -9.860 3.549 12.380
191 HE1 TYR 32 HE1 TYR 32 -6.282 4.547 9.076
192 HE2 TYR 32 HE2 TYR 32 -7.530 4.013 13.150
193 HH TYR 32 HH TYR 32 -5.393 4.566 12.529
194 H LEU 33 H LEU 33 -11.838 2.591 7.044
195 HA LEU 33 HA LEU 33 -11.177 2.248 4.891
196 HB2 LEU 33 HB2 LEU 33 -8.373 1.928 6.013
197 HB3 LEU 33 HB3 LEU 33 -8.775 2.101 4.313
198 HG LEU 33 HG LEU 33 -9.384 4.233 6.368
199 HD11 LEU 33 HD11 LEU 33 -7.008 3.983 4.481
200 HD12 LEU 33 HD12 LEU 33 -6.953 3.808 6.254
201 HD13 LEU 33 HD13 LEU 33 -7.376 5.371 5.527
202 HD21 LEU 33 HD21 LEU 33 -10.741 4.397 4.329
203 HD22 LEU 33 HD22 LEU 33 -9.274 4.287 3.325
204 HD23 LEU 33 HD23 LEU 33 -9.538 5.698 4.378
205 H GLY 34 H GLY 34 -9.400 0.470 3.677
206 HA2 GLY 34 HA2 GLY 34 -10.828 -2.047 4.300
207 HA3 GLY 34 HA3 GLY 34 -9.977 -1.660 2.801
208 H HIS 35 H HIS 35 -7.893 -2.353 2.529
209 HA HIS 35 HA HIS 35 -6.576 -3.488 4.945
210 HB2 HIS 35 HB2 HIS 35 -6.394 -4.643 2.158
211 HB3 HIS 35 HB3 HIS 35 -5.730 -5.323 3.655
212 HD1 HIS 35 HD1 HIS 35 -8.591 -5.662 1.469
213 HD2 HIS 35 HD2 HIS 35 -7.952 -5.890 5.579
214 HE1 HIS 35 HE1 HIS 35 -10.562 -6.905 2.452
215 HA PRO 36 HA PRO 36 -3.659 -0.649 2.678
216 HB2 PRO 36 HB2 PRO 36 -3.484 0.879 5.229
217 HB3 PRO 36 HB3 PRO 36 -3.766 1.484 3.569
218 HG2 PRO 36 HG2 PRO 36 -5.719 1.506 5.389
219 HG3 PRO 36 HG3 PRO 36 -6.060 1.040 3.687
220 HD2 PRO 36 HD2 PRO 36 -5.526 -0.760 6.055
221 HD3 PRO 36 HD3 PRO 36 -6.895 -0.783 4.898
222 H THR 37 H THR 37 -3.589 -2.298 5.762
223 HA THR 37 HA THR 37 -0.779 -1.682 6.313
224 HB THR 37 HB THR 37 -2.770 -3.554 7.689
225 HG1 THR 37 HG1 THR 37 -2.704 -1.744 9.229
226 HG21 THR 37 HG21 THR 37 -0.521 -4.232 8.302
227 HG22 THR 37 HG22 THR 37 -1.203 -3.296 9.648
228 HG23 THR 37 HG23 THR 37 -0.034 -2.529 8.548
229 H CYS 38 H CYS 38 0.876 -2.804 5.511
230 HA CYS 38 HA CYS 38 0.492 -5.519 4.440
231 HB2 CYS 38 HB2 CYS 38 2.794 -3.570 4.649
232 HB3 CYS 38 HB3 CYS 38 3.128 -5.294 4.429
233 H THR 39 H THR 39 0.736 -7.301 5.606
234 HA THR 39 HA THR 39 2.030 -7.097 8.267
235 HB THR 39 HB THR 39 -0.226 -8.948 7.462
236 HG1 THR 39 HG1 THR 39 -0.895 -6.758 7.611
237 HG21 THR 39 HG21 THR 39 0.987 -8.296 10.179
238 HG22 THR 39 HG22 THR 39 1.196 -9.827 9.284
239 HG23 THR 39 HG23 THR 39 -0.406 -9.367 9.897
240 H CYS 40 H CYS 40 3.784 -8.435 8.372
241 HA CYS 40 HA CYS 40 4.338 -9.790 5.817
242 HB2 CYS 40 HB2 CYS 40 6.174 -9.068 8.110
243 HB3 CYS 40 HB3 CYS 40 6.671 -9.698 6.530
244 H SER 41 H SER 41 5.291 -11.765 5.584
245 HA SER 41 HA SER 41 4.638 -13.678 7.791
246 HB2 SER 41 HB2 SER 41 3.206 -13.729 5.689
247 HB3 SER 41 HB3 SER 41 4.671 -14.159 4.781
248 HG SER 41 HG SER 41 4.861 -16.033 6.077
249 H PHE 42 H PHE 42 6.146 -15.258 8.223
250 HA PHE 42 HA PHE 42 8.829 -14.949 6.935
251 HB2 PHE 42 HB2 PHE 42 8.044 -15.912 9.721
252 HB3 PHE 42 HB3 PHE 42 9.681 -15.970 9.056
253 HD1 PHE 42 HD2 PHE 42 6.951 -13.622 10.095
254 HD2 PHE 42 HD1 PHE 42 11.131 -14.085 9.184
255 HE1 PHE 42 HE2 PHE 42 7.391 -11.333 10.984
256 HE2 PHE 42 HE1 PHE 42 11.584 -11.800 10.078
257 HZ PHE 42 HZ PHE 42 9.712 -10.422 10.984
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -1.372 1.396 2.626
2 H2 GLY 1 H2 GLY 1 -1.491 0.058 1.671
3 HA2 GLY 1 HA2 GLY 1 -0.227 1.768 0.576
4 HA3 GLY 1 HA3 GLY 1 0.895 1.751 1.953
5 H PHE 2 H PHE 2 2.354 1.314 -0.065
6 HA PHE 2 HA PHE 2 3.705 -0.135 -1.190
7 HB2 PHE 2 HB2 PHE 2 2.943 -2.219 0.863
8 HB3 PHE 2 HB3 PHE 2 4.461 -2.057 -0.026
9 HD1 PHE 2 HD2 PHE 2 5.741 0.254 0.381
10 HD2 PHE 2 HD1 PHE 2 2.802 -1.420 3.038
11 HE1 PHE 2 HE2 PHE 2 6.632 1.657 2.235
12 HE2 PHE 2 HE1 PHE 2 3.691 -0.032 4.908
13 HZ PHE 2 HZ PHE 2 5.600 1.519 4.510
14 H GLY 3 H GLY 3 1.194 0.102 -2.272
15 HA2 GLY 3 HA2 GLY 3 0.288 -0.887 -4.180
16 HA3 GLY 3 HA3 GLY 3 1.012 -2.433 -3.725
17 H CYS 4 H CYS 4 -0.125 -2.080 -0.925
18 HA CYS 4 HA CYS 4 -2.744 -3.206 -1.665
19 HB2 CYS 4 HB2 CYS 4 -0.784 -3.714 0.388
20 HB3 CYS 4 HB3 CYS 4 -2.395 -3.476 1.098
21 HA PRO 5 HA PRO 5 -4.779 -3.758 -0.431
22 HB2 PRO 5 HB2 PRO 5 -7.314 -2.928 -0.996
23 HB3 PRO 5 HB3 PRO 5 -6.664 -2.983 0.673
24 HG2 PRO 5 HG2 PRO 5 -6.852 -0.648 -1.198
25 HG3 PRO 5 HG3 PRO 5 -7.371 -0.769 0.514
26 HD2 PRO 5 HD2 PRO 5 -4.998 0.332 -0.203
27 HD3 PRO 5 HD3 PRO 5 -5.185 -0.629 1.302
28 H GLY 6 H GLY 6 -4.736 -4.903 -2.283
29 HA2 GLY 6 HA2 GLY 6 -5.935 -4.876 -4.569
30 HA3 GLY 6 HA3 GLY 6 -4.934 -3.440 -4.858
31 H ASP 7 H ASP 7 -2.546 -3.780 -4.281
32 HA ASP 7 HA ASP 7 -1.721 -6.204 -5.779
33 HB2 ASP 7 HB2 ASP 7 -1.052 -3.912 -6.506
34 HB3 ASP 7 HB3 ASP 7 -0.092 -3.770 -5.034
35 H ALA 8 H ALA 8 -1.827 -7.797 -4.226
36 HA ALA 8 HA ALA 8 -0.487 -7.571 -1.672
37 HB1 ALA 8 HB1 ALA 8 -0.920 -9.996 -1.504
38 HB2 ALA 8 HB2 ALA 8 -2.373 -9.121 -2.045
39 HB3 ALA 8 HB3 ALA 8 -1.399 -10.036 -3.220
40 H TYR 9 H TYR 9 0.594 -8.362 -4.922
41 HA TYR 9 HA TYR 9 2.877 -9.953 -4.144
42 HB2 TYR 9 HB2 TYR 9 1.824 -9.870 -6.440
43 HB3 TYR 9 HB3 TYR 9 2.531 -8.263 -6.646
44 HD1 TYR 9 HD1 TYR 9 3.288 -11.891 -6.349
45 HD2 TYR 9 HD2 TYR 9 4.932 -7.967 -7.033
46 HE1 TYR 9 HE1 TYR 9 5.423 -12.914 -7.153
47 HE2 TYR 9 HE2 TYR 9 7.042 -9.000 -7.844
48 HH TYR 9 HH TYR 9 8.196 -10.908 -8.195
49 H GLN 10 H GLN 10 2.374 -6.498 -4.966
50 HA GLN 10 HA GLN 10 5.077 -5.686 -4.502
51 HB2 GLN 10 HB2 GLN 10 3.274 -4.431 -5.666
52 HB3 GLN 10 HB3 GLN 10 2.516 -4.102 -4.106
53 HG2 GLN 10 HG2 GLN 10 4.571 -2.886 -3.416
54 HG3 GLN 10 HG3 GLN 10 5.258 -3.175 -5.023
55 HE21 GLN 10 HE21 GLN 10 2.833 -2.816 -6.538
56 HE22 GLN 10 HE22 GLN 10 2.450 -1.111 -6.457
57 H CYS 11 H CYS 11 2.290 -6.070 -2.309
58 HA CYS 11 HA CYS 11 3.512 -4.917 0.014
59 HB2 CYS 11 HB2 CYS 11 1.097 -5.472 -0.217
60 HB3 CYS 11 HB3 CYS 11 1.507 -7.190 -0.201
61 H SER 12 H SER 12 3.518 -8.229 -1.345
62 HA SER 12 HA SER 12 5.072 -9.426 0.754
63 HB2 SER 12 HB2 SER 12 3.753 -10.713 -0.914
64 HB3 SER 12 HB3 SER 12 4.836 -10.147 -2.198
65 HG SER 12 HG SER 12 5.509 -12.159 -1.556
66 H GLU 13 H GLU 13 6.040 -7.921 -2.375
67 HA GLU 13 HA GLU 13 8.786 -8.430 -2.057
68 HB2 GLU 13 HB2 GLU 13 7.301 -6.241 -3.505
69 HB3 GLU 13 HB3 GLU 13 9.058 -6.428 -3.582
70 HG2 GLU 13 HG2 GLU 13 8.761 -8.717 -4.468
71 HG3 GLU 13 HG3 GLU 13 7.009 -8.476 -4.465
72 H HIS 14 H HIS 14 6.769 -5.698 -0.953
73 HA HIS 14 HA HIS 14 8.910 -4.143 0.129
74 HB2 HIS 14 HB2 HIS 14 6.765 -3.122 -0.094
75 HB3 HIS 14 HB3 HIS 14 5.975 -4.400 0.831
76 HD1 HIS 14 HD1 HIS 14 8.683 -1.757 1.537
77 HD2 HIS 14 HD2 HIS 14 5.520 -3.742 3.382
78 HE1 HIS 14 HE1 HIS 14 8.476 -0.802 3.868
79 H CYS 15 H CYS 15 6.841 -6.682 1.630
80 HA CYS 15 HA CYS 15 8.083 -6.527 4.194
81 HB2 CYS 15 HB2 CYS 15 6.548 -8.644 2.723
82 HB3 CYS 15 HB3 CYS 15 7.326 -9.011 4.267
83 H ARG 16 H ARG 16 8.855 -8.555 1.327
84 HA ARG 16 HA ARG 16 11.007 -9.969 2.590
85 HB2 ARG 16 HB2 ARG 16 10.491 -9.208 -0.299
86 HB3 ARG 16 HB3 ARG 16 11.820 -10.265 0.206
87 HG2 ARG 16 HG2 ARG 16 10.330 -11.951 0.979
88 HG3 ARG 16 HG3 ARG 16 8.947 -10.855 0.945
89 HD2 ARG 16 HD2 ARG 16 8.774 -12.348 -0.937
90 HD3 ARG 16 HD3 ARG 16 9.126 -10.715 -1.523
91 HE ARG 16 HE ARG 16 11.232 -11.407 -2.245
92 HH11 ARG 16 HH11 ARG 16 9.722 -14.053 -0.432
93 HH12 ARG 16 HH12 ARG 16 10.936 -15.200 -0.947
94 HH21 ARG 16 HH21 ARG 16 12.719 -12.932 -2.852
95 HH22 ARG 16 HH22 ARG 16 12.592 -14.576 -2.290
96 H ALA 17 H ALA 17 10.927 -6.778 0.984
97 HA ALA 17 HA ALA 17 13.745 -6.376 1.010
98 HB1 ALA 17 HB1 ALA 17 13.215 -4.024 0.629
99 HB2 ALA 17 HB2 ALA 17 12.137 -5.046 -0.354
100 HB3 ALA 17 HB3 ALA 17 11.537 -4.287 1.143
101 H LEU 18 H LEU 18 11.272 -5.945 3.512
102 HA LEU 18 HA LEU 18 12.907 -4.341 5.274
103 HB2 LEU 18 HB2 LEU 18 10.604 -6.231 5.890
104 HB3 LEU 18 HB3 LEU 18 11.331 -5.128 7.043
105 HG LEU 18 HG LEU 18 9.883 -4.226 4.548
106 HD11 LEU 18 HD11 LEU 18 8.942 -4.325 7.436
107 HD12 LEU 18 HD12 LEU 18 8.397 -5.402 6.127
108 HD13 LEU 18 HD13 LEU 18 8.039 -3.668 6.052
109 HD21 LEU 18 HD21 LEU 18 9.848 -2.028 5.700
110 HD22 LEU 18 HD22 LEU 18 11.494 -2.566 5.323
111 HD23 LEU 18 HD23 LEU 18 10.875 -2.703 6.986
112 H GLY 19 H GLY 19 13.012 -7.689 4.416
113 HA2 GLY 19 HA2 GLY 19 15.338 -8.239 5.859
114 HA3 GLY 19 HA3 GLY 19 13.992 -8.698 6.930
115 H GLY 20 H GLY 20 16.132 -10.030 4.886
116 HA2 GLY 20 HA2 GLY 20 14.554 -11.497 3.058
117 HA3 GLY 20 HA3 GLY 20 16.181 -11.914 3.594
118 H GLY 21 H GLY 21 14.746 -11.958 6.389
119 HA2 GLY 21 HA2 GLY 21 14.323 -14.827 6.423
120 HA3 GLY 21 HA3 GLY 21 14.007 -13.697 7.758
121 H ARG 22 H ARG 22 12.334 -12.026 5.784
122 HA ARG 22 HA ARG 22 9.862 -13.358 6.315
123 HB2 ARG 22 HB2 ARG 22 10.503 -10.772 4.891
124 HB3 ARG 22 HB3 ARG 22 8.864 -11.352 5.208
125 HG2 ARG 22 HG2 ARG 22 9.123 -11.123 7.556
126 HG3 ARG 22 HG3 ARG 22 10.880 -10.907 7.428
127 HD2 ARG 22 HD2 ARG 22 10.560 -8.763 6.297
128 HD3 ARG 22 HD3 ARG 22 8.808 -8.980 6.354
129 HE ARG 22 HE ARG 22 8.817 -8.580 8.673
130 HH11 ARG 22 HH11 ARG 22 12.070 -8.347 7.380
131 HH12 ARG 22 HH12 ARG 22 12.675 -7.501 8.778
132 HH21 ARG 22 HH21 ARG 22 9.646 -7.516 10.443
133 HH22 ARG 22 HH22 ARG 22 11.325 -7.050 10.487
134 H THR 23 H THR 23 8.765 -14.623 4.917
135 HA THR 23 HA THR 23 10.008 -15.172 2.324
136 HB THR 23 HB THR 23 8.046 -16.803 2.138
137 HG1 THR 23 HG1 THR 23 7.293 -16.993 4.591
138 HG21 THR 23 HG21 THR 23 8.894 -18.325 3.882
139 HG22 THR 23 HG22 THR 23 9.766 -16.982 4.645
140 HG23 THR 23 HG23 THR 23 10.228 -17.530 3.016
141 H GLY 24 H GLY 24 7.492 -13.239 3.626
142 HA2 GLY 24 HA2 GLY 24 7.050 -11.763 1.299
143 HA3 GLY 24 HA3 GLY 24 5.861 -13.070 1.291
144 H GLY 25 H GLY 25 4.075 -11.707 1.565
145 HA2 GLY 25 HA2 GLY 25 3.466 -11.139 4.309
146 HA3 GLY 25 HA3 GLY 25 3.803 -9.644 3.418
147 H TYR 26 H TYR 26 1.373 -10.041 4.530
148 HA TYR 26 HA TYR 26 -0.396 -10.390 2.140
149 HB2 TYR 26 HB2 TYR 26 -0.949 -11.361 4.974
150 HB3 TYR 26 HB3 TYR 26 -2.081 -11.425 3.616
151 HD1 TYR 26 HD2 TYR 26 -1.407 -12.837 1.542
152 HD2 TYR 26 HD1 TYR 26 0.596 -13.152 5.340
153 HE1 TYR 26 HE2 TYR 26 -0.493 -15.066 0.882
154 HE2 TYR 26 HE1 TYR 26 1.500 -15.381 4.670
155 HH TYR 26 HH TYR 26 1.630 -16.961 3.035
156 H CYS 27 H CYS 27 -2.557 -9.264 2.618
157 HA CYS 27 HA CYS 27 -1.960 -6.772 4.148
158 HB2 CYS 27 HB2 CYS 27 -3.895 -7.113 1.848
159 HB3 CYS 27 HB3 CYS 27 -3.315 -5.600 2.570
160 H ALA 28 H ALA 28 -3.392 -5.990 5.580
161 HA ALA 28 HA ALA 28 -6.109 -7.139 5.779
162 HB1 ALA 28 HB1 ALA 28 -5.825 -7.665 8.192
163 HB2 ALA 28 HB2 ALA 28 -4.679 -8.624 7.235
164 HB3 ALA 28 HB3 ALA 28 -4.111 -7.184 8.114
165 H GLY 29 H GLY 29 -6.899 -5.770 8.097
166 HA2 GLY 29 HA2 GLY 29 -5.638 -3.213 8.318
167 HA3 GLY 29 HA3 GLY 29 -7.028 -3.117 7.213
168 HA PRO 30 HA PRO 30 -8.544 -2.592 11.653
169 HB2 PRO 30 HB2 PRO 30 -9.705 -0.127 10.425
170 HB3 PRO 30 HB3 PRO 30 -8.812 -0.305 11.967
171 HG2 PRO 30 HG2 PRO 30 -7.698 0.909 9.893
172 HG3 PRO 30 HG3 PRO 30 -6.744 -0.237 10.887
173 HD2 PRO 30 HD2 PRO 30 -8.143 -0.737 8.255
174 HD3 PRO 30 HD3 PRO 30 -6.443 -1.090 8.731
175 H TRP 31 H TRP 31 -10.836 -2.002 12.245
176 HA TRP 31 HA TRP 31 -12.770 -3.565 10.818
177 HB2 TRP 31 HB2 TRP 31 -13.096 -1.415 12.940
178 HB3 TRP 31 HB3 TRP 31 -14.394 -2.474 12.369
179 HD1 TRP 31 HD1 TRP 31 -11.587 -2.383 14.852
180 HE1 TRP 31 HE1 TRP 31 -11.345 -4.592 16.087
181 HE3 TRP 31 HE3 TRP 31 -14.695 -5.175 11.898
182 HZ2 TRP 31 HZ2 TRP 31 -12.378 -7.242 15.847
183 HZ3 TRP 31 HZ3 TRP 31 -15.039 -7.592 12.471
184 HH2 TRP 31 HH2 TRP 31 -13.881 -8.603 14.439
185 H TYR 32 H TYR 32 -11.460 -0.672 9.880
186 HA TYR 32 HA TYR 32 -13.826 -0.008 8.225
187 HB2 TYR 32 HB2 TYR 32 -13.196 2.421 8.474
188 HB3 TYR 32 HB3 TYR 32 -13.885 1.689 9.926
189 HD1 TYR 32 HD1 TYR 32 -10.717 2.917 8.382
190 HD2 TYR 32 HD2 TYR 32 -12.604 1.493 11.975
191 HE1 TYR 32 HE1 TYR 32 -8.744 3.660 9.714
192 HE2 TYR 32 HE2 TYR 32 -10.620 2.243 13.301
193 HH TYR 32 HH TYR 32 -8.567 3.258 13.248
194 H LEU 33 H LEU 33 -13.200 1.016 6.244
195 HA LEU 33 HA LEU 33 -12.034 1.087 4.290
196 HB2 LEU 33 HB2 LEU 33 -9.504 0.960 5.965
197 HB3 LEU 33 HB3 LEU 33 -9.575 1.296 4.245
198 HG LEU 33 HG LEU 33 -10.883 3.076 6.318
199 HD11 LEU 33 HD11 LEU 33 -8.155 3.338 4.995
200 HD12 LEU 33 HD12 LEU 33 -8.455 2.940 6.705
201 HD13 LEU 33 HD13 LEU 33 -8.919 4.533 6.069
202 HD21 LEU 33 HD21 LEU 33 -11.793 3.333 4.050
203 HD22 LEU 33 HD22 LEU 33 -10.151 3.514 3.392
204 HD23 LEU 33 HD23 LEU 33 -10.818 4.747 4.486
205 H GLY 34 H GLY 34 -9.920 -0.311 3.250
206 HA2 GLY 34 HA2 GLY 34 -11.028 -3.045 3.453
207 HA3 GLY 34 HA3 GLY 34 -10.027 -2.410 2.145
208 H HIS 35 H HIS 35 -7.880 -2.826 2.150
209 HA HIS 35 HA HIS 35 -6.759 -4.009 4.644
210 HB2 HIS 35 HB2 HIS 35 -5.972 -4.821 1.842
211 HB3 HIS 35 HB3 HIS 35 -5.534 -5.594 3.368
212 HD1 HIS 35 HD1 HIS 35 -7.365 -6.591 0.687
213 HD2 HIS 35 HD2 HIS 35 -8.472 -6.006 4.660
214 HE1 HIS 35 HE1 HIS 35 -9.445 -7.960 1.076
215 HA PRO 36 HA PRO 36 -4.064 -0.525 3.054
216 HB2 PRO 36 HB2 PRO 36 -4.317 0.536 5.837
217 HB3 PRO 36 HB3 PRO 36 -4.471 1.406 4.280
218 HG2 PRO 36 HG2 PRO 36 -6.621 0.931 5.767
219 HG3 PRO 36 HG3 PRO 36 -6.685 0.709 3.988
220 HD2 PRO 36 HD2 PRO 36 -6.264 -1.379 6.132
221 HD3 PRO 36 HD3 PRO 36 -7.442 -1.357 4.773
222 H THR 37 H THR 37 -4.023 -2.578 5.902
223 HA THR 37 HA THR 37 -1.272 -1.801 6.610
224 HB THR 37 HB THR 37 -3.257 -3.744 7.901
225 HG1 THR 37 HG1 THR 37 -3.294 -1.954 9.452
226 HG21 THR 37 HG21 THR 37 -0.949 -4.326 8.536
227 HG22 THR 37 HG22 THR 37 -1.760 -3.520 9.893
228 HG23 THR 37 HG23 THR 37 -0.600 -2.613 8.900
229 H CYS 38 H CYS 38 0.392 -2.762 5.648
230 HA CYS 38 HA CYS 38 0.177 -5.506 4.585
231 HB2 CYS 38 HB2 CYS 38 2.285 -3.344 4.647
232 HB3 CYS 38 HB3 CYS 38 2.798 -5.025 4.470
233 H THR 39 H THR 39 0.739 -7.277 5.695
234 HA THR 39 HA THR 39 2.168 -6.954 8.278
235 HB THR 39 HB THR 39 -0.096 -8.912 7.702
236 HG1 THR 39 HG1 THR 39 -0.809 -6.730 7.871
237 HG21 THR 39 HG21 THR 39 1.340 -8.169 10.281
238 HG22 THR 39 HG22 THR 39 1.494 -9.716 9.409
239 HG23 THR 39 HG23 THR 39 -0.054 -9.264 10.156
240 H CYS 40 H CYS 40 3.917 -8.403 8.404
241 HA CYS 40 HA CYS 40 4.417 -9.728 5.819
242 HB2 CYS 40 HB2 CYS 40 6.283 -9.164 8.132
243 HB3 CYS 40 HB3 CYS 40 6.745 -9.752 6.527
244 H SER 41 H SER 41 5.323 -11.752 5.587
245 HA SER 41 HA SER 41 4.542 -13.668 7.754
246 HB2 SER 41 HB2 SER 41 3.146 -13.649 5.633
247 HB3 SER 41 HB3 SER 41 4.609 -14.126 4.746
248 HG SER 41 HG SER 41 4.689 -16.034 6.016
249 H PHE 42 H PHE 42 5.854 -15.544 7.909
250 HA PHE 42 HA PHE 42 8.592 -15.341 6.726
251 HB2 PHE 42 HB2 PHE 42 7.799 -16.316 9.500
252 HB3 PHE 42 HB3 PHE 42 9.430 -16.355 8.814
253 HD1 PHE 42 HD2 PHE 42 6.759 -14.149 10.165
254 HD2 PHE 42 HD1 PHE 42 10.821 -14.361 8.744
255 HE1 PHE 42 HE2 PHE 42 7.193 -11.885 11.103
256 HE2 PHE 42 HE1 PHE 42 11.275 -12.105 9.703
257 HZ PHE 42 HZ PHE 42 9.465 -10.859 10.881
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -1.690 1.384 2.029
2 H2 GLY 1 H2 GLY 1 -1.828 0.344 0.757
3 HA2 GLY 1 HA2 GLY 1 0.027 1.804 0.432
4 HA3 GLY 1 HA3 GLY 1 0.676 1.248 1.985
5 H PHE 2 H PHE 2 2.165 1.042 -0.386
6 HA PHE 2 HA PHE 2 3.359 -0.438 -1.631
7 HB2 PHE 2 HB2 PHE 2 2.644 -2.451 0.511
8 HB3 PHE 2 HB3 PHE 2 4.045 -2.473 -0.562
9 HD1 PHE 2 HD2 PHE 2 5.637 -0.381 -0.413
10 HD2 PHE 2 HD1 PHE 2 2.821 -1.498 2.642
11 HE1 PHE 2 HE2 PHE 2 6.911 0.971 1.245
12 HE2 PHE 2 HE1 PHE 2 4.089 -0.150 4.313
13 HZ PHE 2 HZ PHE 2 6.127 1.104 3.611
14 H GLY 3 H GLY 3 0.804 -0.094 -2.561
15 HA2 GLY 3 HA2 GLY 3 -0.242 -0.986 -4.425
16 HA3 GLY 3 HA3 GLY 3 0.559 -2.530 -4.125
17 H CYS 4 H CYS 4 -0.493 -2.308 -1.226
18 HA CYS 4 HA CYS 4 -3.021 -3.643 -1.910
19 HB2 CYS 4 HB2 CYS 4 -1.024 -3.942 0.124
20 HB3 CYS 4 HB3 CYS 4 -2.608 -3.711 0.890
21 HA PRO 5 HA PRO 5 -5.027 -4.271 -0.776
22 HB2 PRO 5 HB2 PRO 5 -7.610 -3.654 -1.378
23 HB3 PRO 5 HB3 PRO 5 -6.977 -3.617 0.295
24 HG2 PRO 5 HG2 PRO 5 -7.326 -1.346 -1.639
25 HG3 PRO 5 HG3 PRO 5 -7.855 -1.461 0.071
26 HD2 PRO 5 HD2 PRO 5 -5.561 -0.205 -0.672
27 HD3 PRO 5 HD3 PRO 5 -5.700 -1.107 0.876
28 H GLY 6 H GLY 6 -5.004 -5.460 -2.611
29 HA2 GLY 6 HA2 GLY 6 -6.136 -5.573 -4.892
30 HA3 GLY 6 HA3 GLY 6 -5.297 -4.041 -5.211
31 H ASP 7 H ASP 7 -2.875 -4.143 -4.557
32 HA ASP 7 HA ASP 7 -1.778 -6.488 -6.020
33 HB2 ASP 7 HB2 ASP 7 -1.282 -4.192 -6.812
34 HB3 ASP 7 HB3 ASP 7 -0.464 -3.870 -5.286
35 H ALA 8 H ALA 8 -1.805 -8.044 -4.437
36 HA ALA 8 HA ALA 8 -0.540 -7.638 -1.853
37 HB1 ALA 8 HB1 ALA 8 -0.860 -10.074 -1.601
38 HB2 ALA 8 HB2 ALA 8 -2.347 -9.282 -2.177
39 HB3 ALA 8 HB3 ALA 8 -1.325 -10.196 -3.312
40 H TYR 9 H TYR 9 0.659 -8.313 -5.050
41 HA TYR 9 HA TYR 9 2.966 -9.863 -4.203
42 HB2 TYR 9 HB2 TYR 9 2.083 -10.015 -6.494
43 HB3 TYR 9 HB3 TYR 9 2.438 -8.303 -6.759
44 HD1 TYR 9 HD1 TYR 9 4.040 -11.623 -6.087
45 HD2 TYR 9 HD2 TYR 9 4.626 -7.559 -7.386
46 HE1 TYR 9 HE1 TYR 9 6.377 -12.172 -6.798
47 HE2 TYR 9 HE2 TYR 9 6.939 -8.122 -8.093
48 HH TYR 9 HH TYR 9 8.581 -9.661 -8.087
49 H GLN 10 H GLN 10 2.392 -6.421 -5.088
50 HA GLN 10 HA GLN 10 5.079 -5.564 -4.582
51 HB2 GLN 10 HB2 GLN 10 3.316 -4.295 -5.769
52 HB3 GLN 10 HB3 GLN 10 2.471 -4.042 -4.245
53 HG2 GLN 10 HG2 GLN 10 4.467 -2.805 -3.396
54 HG3 GLN 10 HG3 GLN 10 5.225 -3.006 -4.986
55 HE21 GLN 10 HE21 GLN 10 2.958 -2.606 -6.623
56 HE22 GLN 10 HE22 GLN 10 2.480 -0.931 -6.466
57 H CYS 11 H CYS 11 2.277 -6.059 -2.440
58 HA CYS 11 HA CYS 11 3.416 -4.924 -0.073
59 HB2 CYS 11 HB2 CYS 11 1.020 -5.559 -0.397
60 HB3 CYS 11 HB3 CYS 11 1.489 -7.260 -0.356
61 H SER 12 H SER 12 3.537 -8.203 -1.496
62 HA SER 12 HA SER 12 5.090 -9.413 0.593
63 HB2 SER 12 HB2 SER 12 3.832 -10.683 -1.129
64 HB3 SER 12 HB3 SER 12 4.929 -10.072 -2.380
65 HG SER 12 HG SER 12 5.602 -12.099 -1.730
66 H GLU 13 H GLU 13 6.064 -7.785 -2.479
67 HA GLU 13 HA GLU 13 8.820 -8.245 -2.183
68 HB2 GLU 13 HB2 GLU 13 7.302 -5.975 -3.482
69 HB3 GLU 13 HB3 GLU 13 9.060 -6.137 -3.568
70 HG2 GLU 13 HG2 GLU 13 8.786 -8.357 -4.624
71 HG3 GLU 13 HG3 GLU 13 7.033 -8.114 -4.624
72 H HIS 14 H HIS 14 6.757 -5.596 -0.979
73 HA HIS 14 HA HIS 14 8.819 -4.018 0.183
74 HB2 HIS 14 HB2 HIS 14 6.761 -2.952 0.158
75 HB3 HIS 14 HB3 HIS 14 5.880 -4.403 0.624
76 HD1 HIS 14 HD1 HIS 14 8.377 -2.015 2.328
77 HD2 HIS 14 HD2 HIS 14 5.035 -4.354 3.159
78 HE1 HIS 14 HE1 HIS 14 7.784 -1.619 4.752
79 H CYS 15 H CYS 15 6.872 -6.696 1.613
80 HA CYS 15 HA CYS 15 8.201 -6.589 4.151
81 HB2 CYS 15 HB2 CYS 15 6.655 -8.721 2.677
82 HB3 CYS 15 HB3 CYS 15 7.404 -9.047 4.245
83 H ARG 16 H ARG 16 8.868 -8.581 1.224
84 HA ARG 16 HA ARG 16 10.996 -10.069 2.434
85 HB2 ARG 16 HB2 ARG 16 10.439 -9.289 -0.442
86 HB3 ARG 16 HB3 ARG 16 11.745 -10.392 0.035
87 HG2 ARG 16 HG2 ARG 16 10.193 -12.005 0.895
88 HG3 ARG 16 HG3 ARG 16 8.849 -10.868 0.799
89 HD2 ARG 16 HD2 ARG 16 8.663 -12.429 -1.032
90 HD3 ARG 16 HD3 ARG 16 9.067 -10.829 -1.673
91 HE ARG 16 HE ARG 16 11.147 -11.605 -2.349
92 HH11 ARG 16 HH11 ARG 16 9.600 -14.131 -0.393
93 HH12 ARG 16 HH12 ARG 16 10.811 -15.312 -0.830
94 HH21 ARG 16 HH21 ARG 16 12.622 -13.178 -2.855
95 HH22 ARG 16 HH22 ARG 16 12.478 -14.784 -2.191
96 H ALA 17 H ALA 17 10.971 -6.851 0.901
97 HA ALA 17 HA ALA 17 13.797 -6.532 0.800
98 HB1 ALA 17 HB1 ALA 17 13.316 -4.142 0.583
99 HB2 ALA 17 HB2 ALA 17 12.162 -5.081 -0.399
100 HB3 ALA 17 HB3 ALA 17 11.655 -4.394 1.164
101 H LEU 18 H LEU 18 11.467 -6.155 3.460
102 HA LEU 18 HA LEU 18 13.281 -4.701 5.197
103 HB2 LEU 18 HB2 LEU 18 10.888 -6.441 5.870
104 HB3 LEU 18 HB3 LEU 18 11.717 -5.389 6.998
105 HG LEU 18 HG LEU 18 10.226 -4.404 4.559
106 HD11 LEU 18 HD11 LEU 18 9.391 -4.494 7.482
107 HD12 LEU 18 HD12 LEU 18 8.730 -5.505 6.176
108 HD13 LEU 18 HD13 LEU 18 8.470 -3.754 6.149
109 HD21 LEU 18 HD21 LEU 18 11.961 -2.836 5.295
110 HD22 LEU 18 HD22 LEU 18 11.368 -2.938 6.968
111 HD23 LEU 18 HD23 LEU 18 10.355 -2.209 5.703
112 H GLY 19 H GLY 19 13.162 -8.009 4.199
113 HA2 GLY 19 HA2 GLY 19 15.444 -8.761 5.617
114 HA3 GLY 19 HA3 GLY 19 14.078 -9.164 6.675
115 H GLY 20 H GLY 20 16.148 -10.645 4.746
116 HA2 GLY 20 HA2 GLY 20 14.516 -12.037 2.879
117 HA3 GLY 20 HA3 GLY 20 16.105 -12.539 3.461
118 H GLY 21 H GLY 21 14.674 -12.379 6.235
119 HA2 GLY 21 HA2 GLY 21 14.040 -15.198 6.397
120 HA3 GLY 21 HA3 GLY 21 13.810 -13.988 7.676
121 H ARG 22 H ARG 22 12.257 -12.304 5.607
122 HA ARG 22 HA ARG 22 9.707 -13.450 6.202
123 HB2 ARG 22 HB2 ARG 22 10.496 -10.928 4.743
124 HB3 ARG 22 HB3 ARG 22 8.827 -11.413 5.058
125 HG2 ARG 22 HG2 ARG 22 9.100 -11.201 7.412
126 HG3 ARG 22 HG3 ARG 22 10.864 -11.064 7.267
127 HD2 ARG 22 HD2 ARG 22 10.622 -8.918 6.123
128 HD3 ARG 22 HD3 ARG 22 8.860 -9.053 6.227
129 HE ARG 22 HE ARG 22 8.946 -8.574 8.510
130 HH11 ARG 22 HH11 ARG 22 12.218 -8.767 7.252
131 HH12 ARG 22 HH12 ARG 22 12.908 -8.016 8.667
132 HH21 ARG 22 HH21 ARG 22 9.881 -7.637 10.289
133 HH22 ARG 22 HH22 ARG 22 11.607 -7.403 10.355
134 H THR 23 H THR 23 8.556 -14.701 4.891
135 HA THR 23 HA THR 23 9.705 -15.440 2.317
136 HB THR 23 HB THR 23 7.561 -16.870 2.221
137 HG1 THR 23 HG1 THR 23 6.943 -16.913 4.733
138 HG21 THR 23 HG21 THR 23 8.335 -18.418 3.994
139 HG22 THR 23 HG22 THR 23 9.400 -17.151 4.630
140 HG23 THR 23 HG23 THR 23 9.684 -17.814 3.004
141 H GLY 24 H GLY 24 7.287 -13.315 3.533
142 HA2 GLY 24 HA2 GLY 24 6.929 -11.856 1.184
143 HA3 GLY 24 HA3 GLY 24 5.697 -13.131 1.171
144 H GLY 25 H GLY 25 3.919 -11.750 1.467
145 HA2 GLY 25 HA2 GLY 25 3.449 -11.070 4.239
146 HA3 GLY 25 HA3 GLY 25 3.624 -9.640 3.205
147 H TYR 26 H TYR 26 1.337 -10.074 4.549
148 HA TYR 26 HA TYR 26 -0.622 -10.772 2.387
149 HB2 TYR 26 HB2 TYR 26 -1.026 -11.135 5.379
150 HB3 TYR 26 HB3 TYR 26 -2.130 -11.621 4.084
151 HD1 TYR 26 HD2 TYR 26 -0.775 -13.234 2.223
152 HD2 TYR 26 HD1 TYR 26 0.068 -12.897 6.434
153 HE1 TYR 26 HE2 TYR 26 0.311 -15.480 2.199
154 HE2 TYR 26 HE1 TYR 26 1.152 -15.138 6.391
155 HH TYR 26 HH TYR 26 1.879 -16.867 5.087
156 H CYS 27 H CYS 27 -2.755 -9.554 2.906
157 HA CYS 27 HA CYS 27 -2.071 -6.905 4.100
158 HB2 CYS 27 HB2 CYS 27 -3.995 -7.475 1.834
159 HB3 CYS 27 HB3 CYS 27 -3.555 -5.883 2.480
160 H ALA 28 H ALA 28 -3.473 -5.986 5.473
161 HA ALA 28 HA ALA 28 -6.153 -7.186 5.914
162 HB1 ALA 28 HB1 ALA 28 -5.759 -7.310 8.371
163 HB2 ALA 28 HB2 ALA 28 -4.612 -8.372 7.527
164 HB3 ALA 28 HB3 ALA 28 -4.072 -6.791 8.141
165 H GLY 29 H GLY 29 -6.933 -5.454 8.009
166 HA2 GLY 29 HA2 GLY 29 -5.712 -2.878 7.691
167 HA3 GLY 29 HA3 GLY 29 -7.162 -3.006 6.681
168 HA PRO 30 HA PRO 30 -8.356 -1.529 11.007
169 HB2 PRO 30 HB2 PRO 30 -9.537 0.660 9.347
170 HB3 PRO 30 HB3 PRO 30 -8.559 0.778 10.843
171 HG2 PRO 30 HG2 PRO 30 -7.543 1.492 8.506
172 HG3 PRO 30 HG3 PRO 30 -6.559 0.541 9.668
173 HD2 PRO 30 HD2 PRO 30 -8.124 -0.442 7.274
174 HD3 PRO 30 HD3 PRO 30 -6.407 -0.750 7.726
175 H TRP 31 H TRP 31 -10.581 -0.700 11.575
176 HA TRP 31 HA TRP 31 -12.651 -2.465 10.677
177 HB2 TRP 31 HB2 TRP 31 -12.729 0.117 12.270
178 HB3 TRP 31 HB3 TRP 31 -14.112 -0.966 12.052
179 HD1 TRP 31 HD1 TRP 31 -11.073 -0.499 14.210
180 HE1 TRP 31 HE1 TRP 31 -10.825 -2.387 15.898
181 HE3 TRP 31 HE3 TRP 31 -14.594 -3.651 12.256
182 HZ2 TRP 31 HZ2 TRP 31 -12.023 -4.941 16.368
183 HZ3 TRP 31 HZ3 TRP 31 -15.008 -5.845 13.396
184 HH2 TRP 31 HH2 TRP 31 -13.719 -6.470 15.434
185 H TYR 32 H TYR 32 -11.337 -0.016 8.926
186 HA TYR 32 HA TYR 32 -13.818 0.422 7.393
187 HB2 TYR 32 HB2 TYR 32 -13.157 2.863 7.158
188 HB3 TYR 32 HB3 TYR 32 -13.795 2.401 8.741
189 HD1 TYR 32 HD1 TYR 32 -10.638 3.210 6.903
190 HD2 TYR 32 HD2 TYR 32 -12.480 2.614 10.743
191 HE1 TYR 32 HE1 TYR 32 -8.612 4.134 8.015
192 HE2 TYR 32 HE2 TYR 32 -10.446 3.543 11.852
193 HH TYR 32 HH TYR 32 -8.371 4.451 11.565
194 H LEU 33 H LEU 33 -13.288 1.257 5.241
195 HA LEU 33 HA LEU 33 -12.268 0.976 3.222
196 HB2 LEU 33 HB2 LEU 33 -9.653 1.085 4.762
197 HB3 LEU 33 HB3 LEU 33 -9.803 1.153 3.015
198 HG LEU 33 HG LEU 33 -10.994 3.236 4.863
199 HD11 LEU 33 HD11 LEU 33 -8.363 3.264 3.331
200 HD12 LEU 33 HD12 LEU 33 -8.544 3.144 5.101
201 HD13 LEU 33 HD13 LEU 33 -9.056 4.620 4.260
202 HD21 LEU 33 HD21 LEU 33 -12.058 3.165 2.650
203 HD22 LEU 33 HD22 LEU 33 -10.462 3.216 1.860
204 HD23 LEU 33 HD23 LEU 33 -11.042 4.610 2.799
205 H GLY 34 H GLY 34 -10.012 -0.584 2.462
206 HA2 GLY 34 HA2 GLY 34 -11.206 -3.248 2.972
207 HA3 GLY 34 HA3 GLY 34 -10.163 -2.809 1.619
208 H HIS 35 H HIS 35 -8.034 -3.233 1.732
209 HA HIS 35 HA HIS 35 -6.961 -4.074 4.379
210 HB2 HIS 35 HB2 HIS 35 -6.244 -5.339 1.724
211 HB3 HIS 35 HB3 HIS 35 -5.772 -5.865 3.341
212 HD1 HIS 35 HD1 HIS 35 -7.909 -6.978 0.812
213 HD2 HIS 35 HD2 HIS 35 -8.482 -6.241 4.878
214 HE1 HIS 35 HE1 HIS 35 -9.957 -8.285 1.518
215 HA PRO 36 HA PRO 36 -4.150 -0.950 2.314
216 HB2 PRO 36 HB2 PRO 36 -4.403 0.520 4.905
217 HB3 PRO 36 HB3 PRO 36 -4.536 1.145 3.233
218 HG2 PRO 36 HG2 PRO 36 -6.698 0.937 4.763
219 HG3 PRO 36 HG3 PRO 36 -6.764 0.443 3.036
220 HD2 PRO 36 HD2 PRO 36 -6.357 -1.299 5.475
221 HD3 PRO 36 HD3 PRO 36 -7.547 -1.463 4.141
222 H THR 37 H THR 37 -4.124 -2.632 5.389
223 HA THR 37 HA THR 37 -1.396 -1.738 6.064
224 HB THR 37 HB THR 37 -3.365 -3.603 7.484
225 HG1 THR 37 HG1 THR 37 -3.412 -1.711 8.909
226 HG21 THR 37 HG21 THR 37 -1.105 -4.174 8.198
227 HG22 THR 37 HG22 THR 37 -1.878 -3.208 9.470
228 HG23 THR 37 HG23 THR 37 -0.688 -2.448 8.392
229 H CYS 38 H CYS 38 0.338 -2.770 5.297
230 HA CYS 38 HA CYS 38 0.165 -5.563 4.393
231 HB2 CYS 38 HB2 CYS 38 2.332 -3.455 4.498
232 HB3 CYS 38 HB3 CYS 38 2.758 -5.160 4.313
233 H THR 39 H THR 39 0.772 -7.296 5.547
234 HA THR 39 HA THR 39 2.138 -6.885 8.147
235 HB THR 39 HB THR 39 -0.136 -8.835 7.598
236 HG1 THR 39 HG1 THR 39 -0.751 -6.590 7.797
237 HG21 THR 39 HG21 THR 39 1.329 -8.121 10.171
238 HG22 THR 39 HG22 THR 39 1.466 -9.665 9.287
239 HG23 THR 39 HG23 THR 39 -0.072 -9.204 10.045
240 H CYS 40 H CYS 40 3.894 -8.348 8.317
241 HA CYS 40 HA CYS 40 4.405 -9.700 5.747
242 HB2 CYS 40 HB2 CYS 40 6.256 -9.135 8.074
243 HB3 CYS 40 HB3 CYS 40 6.731 -9.761 6.488
244 H SER 41 H SER 41 5.186 -11.741 5.485
245 HA SER 41 HA SER 41 4.433 -13.639 7.676
246 HB2 SER 41 HB2 SER 41 3.163 -13.683 5.459
247 HB3 SER 41 HB3 SER 41 4.681 -14.187 4.691
248 HG SER 41 HG SER 41 4.688 -16.044 5.985
249 H PHE 42 H PHE 42 5.776 -15.484 7.911
250 HA PHE 42 HA PHE 42 8.540 -15.281 6.796
251 HB2 PHE 42 HB2 PHE 42 7.686 -16.132 9.595
252 HB3 PHE 42 HB3 PHE 42 9.322 -16.255 8.937
253 HD1 PHE 42 HD2 PHE 42 6.704 -13.865 10.078
254 HD2 PHE 42 HD1 PHE 42 10.803 -14.345 8.842
255 HE1 PHE 42 HE2 PHE 42 7.217 -11.577 10.916
256 HE2 PHE 42 HE1 PHE 42 11.331 -12.068 9.712
257 HZ PHE 42 HZ PHE 42 9.538 -10.677 10.753
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -1.253 1.271 2.089
2 H2 GLY 1 H2 GLY 1 -1.512 -0.126 1.255
3 HA2 GLY 1 HA2 GLY 1 -0.382 1.455 -0.120
4 HA3 GLY 1 HA3 GLY 1 0.897 1.543 1.111
5 H PHE 2 H PHE 2 2.124 0.917 -0.998
6 HA PHE 2 HA PHE 2 3.317 -0.642 -2.154
7 HB2 PHE 2 HB2 PHE 2 2.823 -2.440 0.234
8 HB3 PHE 2 HB3 PHE 2 4.164 -2.516 -0.918
9 HD1 PHE 2 HD2 PHE 2 5.688 -0.397 -1.076
10 HD2 PHE 2 HD1 PHE 2 3.046 -1.212 2.216
11 HE1 PHE 2 HE2 PHE 2 6.980 1.192 0.342
12 HE2 PHE 2 HE1 PHE 2 4.333 0.372 3.649
13 HZ PHE 2 HZ PHE 2 6.292 1.589 2.711
14 H GLY 3 H GLY 3 0.849 -0.505 -3.142
15 HA2 GLY 3 HA2 GLY 3 -0.228 -1.722 -4.808
16 HA3 GLY 3 HA3 GLY 3 0.468 -3.216 -4.169
17 H CYS 4 H CYS 4 -0.495 -2.384 -1.395
18 HA CYS 4 HA CYS 4 -3.197 -3.495 -1.860
19 HB2 CYS 4 HB2 CYS 4 -1.079 -4.127 -0.057
20 HB3 CYS 4 HB3 CYS 4 -2.523 -3.688 0.879
21 HA PRO 5 HA PRO 5 -5.138 -3.961 -0.512
22 HB2 PRO 5 HB2 PRO 5 -7.667 -3.025 -0.924
23 HB3 PRO 5 HB3 PRO 5 -6.930 -3.118 0.706
24 HG2 PRO 5 HG2 PRO 5 -7.126 -0.764 -1.148
25 HG3 PRO 5 HG3 PRO 5 -7.550 -0.873 0.590
26 HD2 PRO 5 HD2 PRO 5 -5.182 0.135 -0.252
27 HD3 PRO 5 HD3 PRO 5 -5.315 -0.832 1.257
28 H GLY 6 H GLY 6 -5.454 -5.110 -2.374
29 HA2 GLY 6 HA2 GLY 6 -6.627 -4.800 -4.682
30 HA3 GLY 6 HA3 GLY 6 -5.353 -3.586 -4.914
31 H ASP 7 H ASP 7 -3.078 -4.420 -4.324
32 HA ASP 7 HA ASP 7 -2.761 -7.183 -5.460
33 HB2 ASP 7 HB2 ASP 7 -1.912 -5.523 -7.002
34 HB3 ASP 7 HB3 ASP 7 -1.026 -4.712 -5.701
35 H ALA 8 H ALA 8 -1.770 -8.638 -4.274
36 HA ALA 8 HA ALA 8 -0.518 -7.822 -1.743
37 HB1 ALA 8 HB1 ALA 8 -0.551 -10.222 -1.218
38 HB2 ALA 8 HB2 ALA 8 -2.162 -9.662 -1.732
39 HB3 ALA 8 HB3 ALA 8 -1.132 -10.583 -2.860
40 H TYR 9 H TYR 9 0.511 -8.530 -4.979
41 HA TYR 9 HA TYR 9 2.903 -9.989 -4.326
42 HB2 TYR 9 HB2 TYR 9 1.819 -9.839 -6.594
43 HB3 TYR 9 HB3 TYR 9 2.448 -8.191 -6.726
44 HD1 TYR 9 HD1 TYR 9 3.361 -11.789 -6.624
45 HD2 TYR 9 HD2 TYR 9 4.845 -7.769 -7.087
46 HE1 TYR 9 HE1 TYR 9 5.546 -12.677 -7.460
47 HE2 TYR 9 HE2 TYR 9 7.013 -8.667 -7.910
48 HH TYR 9 HH TYR 9 8.244 -10.505 -8.355
49 H GLN 10 H GLN 10 2.376 -6.478 -5.052
50 HA GLN 10 HA GLN 10 5.103 -5.798 -4.490
51 HB2 GLN 10 HB2 GLN 10 3.462 -4.428 -5.784
52 HB3 GLN 10 HB3 GLN 10 2.658 -4.021 -4.271
53 HG2 GLN 10 HG2 GLN 10 4.695 -2.924 -3.453
54 HG3 GLN 10 HG3 GLN 10 5.563 -3.423 -4.914
55 HE21 GLN 10 HE21 GLN 10 4.943 -2.522 -6.943
56 HE22 GLN 10 HE22 GLN 10 4.173 -0.951 -6.991
57 H CYS 11 H CYS 11 2.274 -6.233 -2.439
58 HA CYS 11 HA CYS 11 3.326 -5.027 -0.059
59 HB2 CYS 11 HB2 CYS 11 0.942 -5.672 -0.453
60 HB3 CYS 11 HB3 CYS 11 1.413 -7.371 -0.370
61 H SER 12 H SER 12 3.502 -8.315 -1.447
62 HA SER 12 HA SER 12 5.063 -9.486 0.662
63 HB2 SER 12 HB2 SER 12 3.841 -10.808 -1.040
64 HB3 SER 12 HB3 SER 12 4.890 -10.153 -2.307
65 HG SER 12 HG SER 12 5.632 -12.165 -1.681
66 H GLU 13 H GLU 13 6.007 -7.871 -2.424
67 HA GLU 13 HA GLU 13 8.769 -8.284 -2.141
68 HB2 GLU 13 HB2 GLU 13 7.217 -6.008 -3.404
69 HB3 GLU 13 HB3 GLU 13 8.973 -6.171 -3.525
70 HG2 GLU 13 HG2 GLU 13 8.706 -8.343 -4.650
71 HG3 GLU 13 HG3 GLU 13 6.949 -8.183 -4.539
72 H HIS 14 H HIS 14 6.694 -5.640 -0.919
73 HA HIS 14 HA HIS 14 8.802 -4.093 0.229
74 HB2 HIS 14 HB2 HIS 14 6.595 -3.152 -0.017
75 HB3 HIS 14 HB3 HIS 14 5.876 -4.424 0.972
76 HD1 HIS 14 HD1 HIS 14 8.585 -1.737 1.516
77 HD2 HIS 14 HD2 HIS 14 5.439 -3.623 3.486
78 HE1 HIS 14 HE1 HIS 14 8.420 -0.686 3.808
79 H CYS 15 H CYS 15 6.744 -6.688 1.653
80 HA CYS 15 HA CYS 15 7.953 -6.566 4.236
81 HB2 CYS 15 HB2 CYS 15 6.448 -8.660 2.702
82 HB3 CYS 15 HB3 CYS 15 7.209 -9.059 4.247
83 H ARG 16 H ARG 16 8.797 -8.528 1.348
84 HA ARG 16 HA ARG 16 10.909 -9.992 2.622
85 HB2 ARG 16 HB2 ARG 16 10.444 -9.142 -0.253
86 HB3 ARG 16 HB3 ARG 16 11.772 -10.207 0.236
87 HG2 ARG 16 HG2 ARG 16 10.281 -11.923 0.937
88 HG3 ARG 16 HG3 ARG 16 8.892 -10.834 0.899
89 HD2 ARG 16 HD2 ARG 16 8.770 -12.258 -1.037
90 HD3 ARG 16 HD3 ARG 16 9.151 -10.612 -1.564
91 HE ARG 16 HE ARG 16 11.269 -11.292 -2.235
92 HH11 ARG 16 HH11 ARG 16 9.680 -13.985 -0.570
93 HH12 ARG 16 HH12 ARG 16 10.901 -15.127 -1.087
94 HH21 ARG 16 HH21 ARG 16 12.767 -12.814 -2.850
95 HH22 ARG 16 HH22 ARG 16 12.604 -14.474 -2.352
96 H ALA 17 H ALA 17 10.877 -6.780 1.056
97 HA ALA 17 HA ALA 17 13.695 -6.401 1.127
98 HB1 ALA 17 HB1 ALA 17 11.491 -4.304 1.246
99 HB2 ALA 17 HB2 ALA 17 13.182 -4.033 0.772
100 HB3 ALA 17 HB3 ALA 17 12.122 -5.044 -0.243
101 H LEU 18 H LEU 18 11.205 -5.978 3.611
102 HA LEU 18 HA LEU 18 12.823 -4.375 5.383
103 HB2 LEU 18 HB2 LEU 18 10.479 -6.219 5.953
104 HB3 LEU 18 HB3 LEU 18 11.200 -5.136 7.132
105 HG LEU 18 HG LEU 18 9.848 -4.194 4.592
106 HD11 LEU 18 HD11 LEU 18 8.277 -5.340 6.109
107 HD12 LEU 18 HD12 LEU 18 7.971 -3.596 6.051
108 HD13 LEU 18 HD13 LEU 18 8.817 -4.300 7.448
109 HD21 LEU 18 HD21 LEU 18 9.829 -2.002 5.758
110 HD22 LEU 18 HD22 LEU 18 11.473 -2.578 5.432
111 HD23 LEU 18 HD23 LEU 18 10.800 -2.708 7.072
112 H GLY 19 H GLY 19 12.953 -7.753 4.585
113 HA2 GLY 19 HA2 GLY 19 15.233 -8.219 6.145
114 HA3 GLY 19 HA3 GLY 19 13.852 -8.702 7.148
115 H GLY 20 H GLY 20 16.142 -10.086 5.438
116 HA2 GLY 20 HA2 GLY 20 14.836 -11.600 3.446
117 HA3 GLY 20 HA3 GLY 20 16.351 -12.017 4.239
118 H GLY 21 H GLY 21 14.601 -11.994 6.818
119 HA2 GLY 21 HA2 GLY 21 14.103 -14.856 6.805
120 HA3 GLY 21 HA3 GLY 21 13.694 -13.719 8.108
121 H ARG 22 H ARG 22 12.261 -12.007 5.990
122 HA ARG 22 HA ARG 22 9.721 -13.287 6.307
123 HB2 ARG 22 HB2 ARG 22 10.501 -10.668 5.013
124 HB3 ARG 22 HB3 ARG 22 8.836 -11.221 5.245
125 HG2 ARG 22 HG2 ARG 22 9.037 -11.098 7.622
126 HG3 ARG 22 HG3 ARG 22 10.789 -10.842 7.531
127 HD2 ARG 22 HD2 ARG 22 10.445 -8.683 6.446
128 HD3 ARG 22 HD3 ARG 22 8.698 -8.937 6.464
129 HE ARG 22 HE ARG 22 8.659 -8.604 8.802
130 HH11 ARG 22 HH11 ARG 22 11.919 -8.236 7.564
131 HH12 ARG 22 HH12 ARG 22 12.479 -7.412 8.994
132 HH21 ARG 22 HH21 ARG 22 9.426 -7.567 10.612
133 HH22 ARG 22 HH22 ARG 22 11.096 -7.060 10.693
134 H THR 23 H THR 23 8.704 -14.471 4.783
135 HA THR 23 HA THR 23 10.129 -14.836 2.221
136 HB THR 23 HB THR 23 8.437 -16.657 1.877
137 HG1 THR 23 HG1 THR 23 7.524 -16.774 4.412
138 HG21 THR 23 HG21 THR 23 9.238 -18.141 3.660
139 HG22 THR 23 HG22 THR 23 9.808 -16.748 4.599
140 HG23 THR 23 HG23 THR 23 10.578 -17.147 3.043
141 H GLY 24 H GLY 24 7.477 -13.127 3.538
142 HA2 GLY 24 HA2 GLY 24 6.907 -11.665 1.224
143 HA3 GLY 24 HA3 GLY 24 5.803 -13.051 1.235
144 H GLY 25 H GLY 25 3.954 -11.732 1.544
145 HA2 GLY 25 HA2 GLY 25 3.366 -11.248 4.308
146 HA3 GLY 25 HA3 GLY 25 3.636 -9.725 3.444
147 H TYR 26 H TYR 26 1.249 -10.171 4.582
148 HA TYR 26 HA TYR 26 -0.554 -10.581 2.226
149 HB2 TYR 26 HB2 TYR 26 -1.175 -11.351 5.101
150 HB3 TYR 26 HB3 TYR 26 -2.187 -11.636 3.677
151 HD1 TYR 26 HD2 TYR 26 -0.930 -13.087 1.741
152 HD2 TYR 26 HD1 TYR 26 0.094 -13.132 5.924
153 HE1 TYR 26 HE2 TYR 26 0.176 -15.308 1.459
154 HE2 TYR 26 HE1 TYR 26 1.190 -15.350 5.626
155 HH TYR 26 HH TYR 26 1.797 -16.982 4.162
156 H CYS 27 H CYS 27 -2.643 -9.355 2.587
157 HA CYS 27 HA CYS 27 -1.973 -6.805 3.953
158 HB2 CYS 27 HB2 CYS 27 -4.196 -7.356 1.977
159 HB3 CYS 27 HB3 CYS 27 -3.557 -5.782 2.491
160 H ALA 28 H ALA 28 -3.258 -5.866 5.454
161 HA ALA 28 HA ALA 28 -5.888 -7.017 6.142
162 HB1 ALA 28 HB1 ALA 28 -5.268 -7.267 8.544
163 HB2 ALA 28 HB2 ALA 28 -4.255 -8.331 7.546
164 HB3 ALA 28 HB3 ALA 28 -3.590 -6.800 8.168
165 H GLY 29 H GLY 29 -6.501 -5.386 8.298
166 HA2 GLY 29 HA2 GLY 29 -5.203 -2.832 8.075
167 HA3 GLY 29 HA3 GLY 29 -6.726 -2.852 7.162
168 HA PRO 30 HA PRO 30 -7.507 -1.687 11.694
169 HB2 PRO 30 HB2 PRO 30 -8.601 0.742 10.349
170 HB3 PRO 30 HB3 PRO 30 -7.516 0.633 11.767
171 HG2 PRO 30 HG2 PRO 30 -6.602 1.492 9.438
172 HG3 PRO 30 HG3 PRO 30 -5.632 0.349 10.423
173 HD2 PRO 30 HD2 PRO 30 -7.442 -0.252 8.083
174 HD3 PRO 30 HD3 PRO 30 -5.731 -0.739 8.358
175 H TRP 31 H TRP 31 -9.594 -0.692 12.499
176 HA TRP 31 HA TRP 31 -11.909 -2.167 11.681
177 HB2 TRP 31 HB2 TRP 31 -11.509 0.303 13.401
178 HB3 TRP 31 HB3 TRP 31 -13.085 -0.461 13.169
179 HD1 TRP 31 HD1 TRP 31 -9.772 -0.994 15.003
180 HE1 TRP 31 HE1 TRP 31 -9.981 -2.899 16.678
181 HE3 TRP 31 HE3 TRP 31 -14.390 -2.678 13.583
182 HZ2 TRP 31 HZ2 TRP 31 -11.916 -4.886 17.352
183 HZ3 TRP 31 HZ3 TRP 31 -15.395 -4.614 14.820
184 HH2 TRP 31 HH2 TRP 31 -14.155 -5.694 16.693
185 H TYR 32 H TYR 32 -10.445 0.299 9.998
186 HA TYR 32 HA TYR 32 -12.965 1.042 8.650
187 HB2 TYR 32 HB2 TYR 32 -12.070 3.422 8.527
188 HB3 TYR 32 HB3 TYR 32 -12.678 2.908 10.105
189 HD1 TYR 32 HD1 TYR 32 -9.534 3.537 8.173
190 HD2 TYR 32 HD2 TYR 32 -11.269 2.848 12.047
191 HE1 TYR 32 HE1 TYR 32 -7.379 4.175 9.248
192 HE2 TYR 32 HE2 TYR 32 -9.109 3.493 13.118
193 HH TYR 32 HH TYR 32 -6.961 4.219 12.786
194 H LEU 33 H LEU 33 -12.527 1.943 6.525
195 HA LEU 33 HA LEU 33 -11.671 1.749 4.425
196 HB2 LEU 33 HB2 LEU 33 -8.946 1.562 5.754
197 HB3 LEU 33 HB3 LEU 33 -9.235 1.812 4.040
198 HG LEU 33 HG LEU 33 -10.121 3.770 6.175
199 HD11 LEU 33 HD11 LEU 33 -7.641 3.802 4.407
200 HD12 LEU 33 HD12 LEU 33 -7.669 3.519 6.166
201 HD13 LEU 33 HD13 LEU 33 -8.160 5.096 5.514
202 HD21 LEU 33 HD21 LEU 33 -11.382 3.971 4.077
203 HD22 LEU 33 HD22 LEU 33 -9.864 4.017 3.145
204 HD23 LEU 33 HD23 LEU 33 -10.274 5.336 4.263
205 H GLY 34 H GLY 34 -9.566 0.116 3.405
206 HA2 GLY 34 HA2 GLY 34 -10.917 -2.499 3.790
207 HA3 GLY 34 HA3 GLY 34 -9.924 -2.021 2.404
208 H HIS 35 H HIS 35 -7.848 -2.660 2.339
209 HA HIS 35 HA HIS 35 -6.654 -3.661 4.872
210 HB2 HIS 35 HB2 HIS 35 -6.230 -4.871 2.129
211 HB3 HIS 35 HB3 HIS 35 -5.619 -5.463 3.681
212 HD1 HIS 35 HD1 HIS 35 -8.158 -6.294 1.359
213 HD2 HIS 35 HD2 HIS 35 -8.067 -5.875 5.502
214 HE1 HIS 35 HE1 HIS 35 -10.134 -7.581 2.271
215 HA PRO 36 HA PRO 36 -3.817 -0.622 2.744
216 HB2 PRO 36 HB2 PRO 36 -3.794 0.744 5.400
217 HB3 PRO 36 HB3 PRO 36 -4.018 1.449 3.769
218 HG2 PRO 36 HG2 PRO 36 -6.059 1.284 5.465
219 HG3 PRO 36 HG3 PRO 36 -6.289 0.890 3.729
220 HD2 PRO 36 HD2 PRO 36 -5.816 -0.999 6.039
221 HD3 PRO 36 HD3 PRO 36 -7.101 -1.023 4.785
222 H THR 37 H THR 37 -3.708 -2.437 5.732
223 HA THR 37 HA THR 37 -0.892 -1.750 6.279
224 HB THR 37 HB THR 37 -2.890 -3.581 7.719
225 HG1 THR 37 HG1 THR 37 -2.738 -1.740 9.234
226 HG21 THR 37 HG21 THR 37 -0.612 -4.274 8.284
227 HG22 THR 37 HG22 THR 37 -1.290 -3.353 9.643
228 HG23 THR 37 HG23 THR 37 -0.129 -2.577 8.544
229 H CYS 38 H CYS 38 0.772 -2.907 5.534
230 HA CYS 38 HA CYS 38 0.317 -5.640 4.479
231 HB2 CYS 38 HB2 CYS 38 2.627 -3.687 4.462
232 HB3 CYS 38 HB3 CYS 38 2.910 -5.414 4.187
233 H THR 39 H THR 39 0.545 -7.350 5.758
234 HA THR 39 HA THR 39 2.103 -7.063 8.271
235 HB THR 39 HB THR 39 -0.194 -8.971 7.671
236 HG1 THR 39 HG1 THR 39 -1.406 -7.630 8.994
237 HG21 THR 39 HG21 THR 39 1.262 -8.321 10.271
238 HG22 THR 39 HG22 THR 39 1.394 -9.843 9.351
239 HG23 THR 39 HG23 THR 39 -0.146 -9.394 10.109
240 H CYS 40 H CYS 40 3.840 -8.478 8.387
241 HA CYS 40 HA CYS 40 4.333 -9.815 5.815
242 HB2 CYS 40 HB2 CYS 40 6.216 -9.233 8.104
243 HB3 CYS 40 HB3 CYS 40 6.660 -9.796 6.486
244 H SER 41 H SER 41 5.248 -11.815 5.552
245 HA SER 41 HA SER 41 4.468 -13.760 7.692
246 HB2 SER 41 HB2 SER 41 3.121 -13.768 5.572
247 HB3 SER 41 HB3 SER 41 4.609 -14.114 4.667
248 HG SER 41 HG SER 41 4.758 -16.091 5.666
249 H PHE 42 H PHE 42 5.839 -15.509 8.060
250 HA PHE 42 HA PHE 42 8.585 -15.341 6.880
251 HB2 PHE 42 HB2 PHE 42 7.733 -16.148 9.699
252 HB3 PHE 42 HB3 PHE 42 9.368 -16.296 9.047
253 HD1 PHE 42 HD2 PHE 42 6.725 -13.829 10.005
254 HD2 PHE 42 HD1 PHE 42 10.883 -14.446 9.061
255 HE1 PHE 42 HE2 PHE 42 7.245 -11.533 10.815
256 HE2 PHE 42 HE1 PHE 42 11.414 -12.158 9.886
257 HZ PHE 42 HZ PHE 42 9.596 -10.696 10.775
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -1.893 1.517 1.831
2 H2 GLY 1 H2 GLY 1 -2.039 0.284 0.749
3 HA2 GLY 1 HA2 GLY 1 -0.309 1.769 0.064
4 HA3 GLY 1 HA3 GLY 1 0.473 1.502 1.637
5 H PHE 2 H PHE 2 2.017 0.990 -0.498
6 HA PHE 2 HA PHE 2 3.260 -0.596 -1.544
7 HB2 PHE 2 HB2 PHE 2 2.400 -2.511 0.620
8 HB3 PHE 2 HB3 PHE 2 3.930 -2.470 -0.258
9 HD1 PHE 2 HD2 PHE 2 5.311 -0.193 0.039
10 HD2 PHE 2 HD1 PHE 2 2.289 -1.603 2.761
11 HE1 PHE 2 HE2 PHE 2 6.258 1.254 1.830
12 HE2 PHE 2 HE1 PHE 2 3.237 -0.169 4.563
13 HZ PHE 2 HZ PHE 2 5.222 1.271 4.100
14 H GLY 3 H GLY 3 0.739 -0.333 -2.628
15 HA2 GLY 3 HA2 GLY 3 -0.227 -1.379 -4.469
16 HA3 GLY 3 HA3 GLY 3 0.518 -2.907 -3.991
17 H CYS 4 H CYS 4 -0.646 -2.421 -1.172
18 HA CYS 4 HA CYS 4 -3.192 -3.731 -1.897
19 HB2 CYS 4 HB2 CYS 4 -1.160 -4.206 0.039
20 HB3 CYS 4 HB3 CYS 4 -2.691 -3.925 0.891
21 HA PRO 5 HA PRO 5 -5.143 -4.438 -0.743
22 HB2 PRO 5 HB2 PRO 5 -7.751 -3.813 -1.185
23 HB3 PRO 5 HB3 PRO 5 -7.051 -3.873 0.464
24 HG2 PRO 5 HG2 PRO 5 -7.525 -1.495 -1.311
25 HG3 PRO 5 HG3 PRO 5 -7.952 -1.719 0.414
26 HD2 PRO 5 HD2 PRO 5 -5.711 -0.384 -0.390
27 HD3 PRO 5 HD3 PRO 5 -5.767 -1.351 1.121
28 H GLY 6 H GLY 6 -5.239 -5.481 -2.692
29 HA2 GLY 6 HA2 GLY 6 -6.403 -5.186 -4.999
30 HA3 GLY 6 HA3 GLY 6 -5.314 -3.784 -5.126
31 H ASP 7 H ASP 7 -2.954 -4.304 -4.534
32 HA ASP 7 HA ASP 7 -2.252 -6.859 -5.916
33 HB2 ASP 7 HB2 ASP 7 -1.454 -4.838 -7.049
34 HB3 ASP 7 HB3 ASP 7 -0.628 -4.332 -5.566
35 H ALA 8 H ALA 8 -1.731 -8.426 -4.611
36 HA ALA 8 HA ALA 8 -0.551 -7.917 -1.987
37 HB1 ALA 8 HB1 ALA 8 -0.597 -10.367 -1.769
38 HB2 ALA 8 HB2 ALA 8 -2.172 -9.752 -2.325
39 HB3 ALA 8 HB3 ALA 8 -1.058 -10.526 -3.480
40 H TYR 9 H TYR 9 0.656 -8.343 -5.236
41 HA TYR 9 HA TYR 9 3.033 -9.802 -4.542
42 HB2 TYR 9 HB2 TYR 9 2.052 -9.619 -6.838
43 HB3 TYR 9 HB3 TYR 9 2.618 -7.944 -6.901
44 HD1 TYR 9 HD1 TYR 9 3.757 -11.497 -6.618
45 HD2 TYR 9 HD2 TYR 9 4.917 -7.423 -7.378
46 HE1 TYR 9 HE1 TYR 9 6.024 -12.265 -7.338
47 HE2 TYR 9 HE2 TYR 9 7.163 -8.202 -8.101
48 HH TYR 9 HH TYR 9 8.584 -9.932 -8.249
49 H GLN 10 H GLN 10 2.502 -6.270 -5.185
50 HA GLN 10 HA GLN 10 5.185 -5.555 -4.497
51 HB2 GLN 10 HB2 GLN 10 3.533 -4.103 -5.692
52 HB3 GLN 10 HB3 GLN 10 2.672 -3.877 -4.166
53 HG2 GLN 10 HG2 GLN 10 4.650 -2.806 -3.183
54 HG3 GLN 10 HG3 GLN 10 5.571 -3.111 -4.661
55 HE21 GLN 10 HE21 GLN 10 4.748 -2.111 -6.661
56 HE22 GLN 10 HE22 GLN 10 4.006 -0.534 -6.534
57 H CYS 11 H CYS 11 2.297 -6.125 -2.527
58 HA CYS 11 HA CYS 11 3.296 -5.067 -0.069
59 HB2 CYS 11 HB2 CYS 11 0.929 -5.739 -0.576
60 HB3 CYS 11 HB3 CYS 11 1.433 -7.430 -0.505
61 H SER 12 H SER 12 3.533 -8.298 -1.588
62 HA SER 12 HA SER 12 5.030 -9.529 0.540
63 HB2 SER 12 HB2 SER 12 3.832 -10.791 -1.229
64 HB3 SER 12 HB3 SER 12 4.953 -10.145 -2.444
65 HG SER 12 HG SER 12 5.605 -12.199 -1.775
66 H GLU 13 H GLU 13 6.073 -7.880 -2.508
67 HA GLU 13 HA GLU 13 8.822 -8.329 -2.071
68 HB2 GLU 13 HB2 GLU 13 7.365 -6.124 -3.546
69 HB3 GLU 13 HB3 GLU 13 9.127 -6.302 -3.542
70 HG2 GLU 13 HG2 GLU 13 8.827 -8.623 -4.436
71 HG3 GLU 13 HG3 GLU 13 7.103 -8.271 -4.630
72 H HIS 14 H HIS 14 6.673 -5.706 -0.989
73 HA HIS 14 HA HIS 14 8.661 -4.046 0.197
74 HB2 HIS 14 HB2 HIS 14 6.573 -3.035 0.051
75 HB3 HIS 14 HB3 HIS 14 5.714 -4.498 0.530
76 HD1 HIS 14 HD1 HIS 14 7.966 -1.870 2.206
77 HD2 HIS 14 HD2 HIS 14 4.855 -4.501 3.062
78 HE1 HIS 14 HE1 HIS 14 7.259 -1.425 4.591
79 H CYS 15 H CYS 15 6.728 -6.763 1.564
80 HA CYS 15 HA CYS 15 7.962 -6.618 4.143
81 HB2 CYS 15 HB2 CYS 15 6.455 -8.722 2.619
82 HB3 CYS 15 HB3 CYS 15 7.224 -9.111 4.165
83 H ARG 16 H ARG 16 8.773 -8.595 1.240
84 HA ARG 16 HA ARG 16 10.927 -10.015 2.504
85 HB2 ARG 16 HB2 ARG 16 10.416 -9.236 -0.385
86 HB3 ARG 16 HB3 ARG 16 11.739 -10.304 0.118
87 HG2 ARG 16 HG2 ARG 16 10.240 -12.003 0.839
88 HG3 ARG 16 HG3 ARG 16 8.863 -10.898 0.876
89 HD2 ARG 16 HD2 ARG 16 8.610 -12.309 -1.041
90 HD3 ARG 16 HD3 ARG 16 8.996 -10.677 -1.600
91 HE ARG 16 HE ARG 16 11.067 -11.415 -2.382
92 HH11 ARG 16 HH11 ARG 16 9.474 -14.071 -0.651
93 HH12 ARG 16 HH12 ARG 16 10.616 -15.246 -1.255
94 HH21 ARG 16 HH21 ARG 16 12.458 -12.983 -3.101
95 HH22 ARG 16 HH22 ARG 16 12.263 -14.645 -2.614
96 H ALA 17 H ALA 17 10.817 -6.787 0.990
97 HA ALA 17 HA ALA 17 13.633 -6.375 0.978
98 HB1 ALA 17 HB1 ALA 17 13.069 -4.000 0.703
99 HB2 ALA 17 HB2 ALA 17 12.018 -5.009 -0.323
100 HB3 ALA 17 HB3 ALA 17 11.393 -4.325 1.197
101 H LEU 18 H LEU 18 11.204 -6.070 3.532
102 HA LEU 18 HA LEU 18 12.874 -4.500 5.305
103 HB2 LEU 18 HB2 LEU 18 10.506 -6.317 5.869
104 HB3 LEU 18 HB3 LEU 18 11.271 -5.288 7.067
105 HG LEU 18 HG LEU 18 9.914 -4.231 4.573
106 HD11 LEU 18 HD11 LEU 18 8.899 -4.419 7.431
107 HD12 LEU 18 HD12 LEU 18 8.319 -5.382 6.050
108 HD13 LEU 18 HD13 LEU 18 8.063 -3.630 6.076
109 HD21 LEU 18 HD21 LEU 18 9.946 -2.076 5.814
110 HD22 LEU 18 HD22 LEU 18 11.575 -2.671 5.452
111 HD23 LEU 18 HD23 LEU 18 10.912 -2.847 7.095
112 H GLY 19 H GLY 19 12.916 -7.824 4.361
113 HA2 GLY 19 HA2 GLY 19 15.251 -8.390 5.790
114 HA3 GLY 19 HA3 GLY 19 13.909 -8.929 6.821
115 H GLY 20 H GLY 20 16.107 -10.157 4.823
116 HA2 GLY 20 HA2 GLY 20 14.633 -11.568 2.870
117 HA3 GLY 20 HA3 GLY 20 16.228 -12.000 3.481
118 H GLY 21 H GLY 21 14.729 -12.135 6.213
119 HA2 GLY 21 HA2 GLY 21 14.249 -14.992 6.114
120 HA3 GLY 21 HA3 GLY 21 13.971 -13.923 7.505
121 H ARG 22 H ARG 22 12.306 -12.125 5.631
122 HA ARG 22 HA ARG 22 9.816 -13.428 6.136
123 HB2 ARG 22 HB2 ARG 22 10.494 -10.822 4.776
124 HB3 ARG 22 HB3 ARG 22 8.846 -11.391 5.062
125 HG2 ARG 22 HG2 ARG 22 9.083 -11.224 7.416
126 HG3 ARG 22 HG3 ARG 22 10.844 -11.011 7.304
127 HD2 ARG 22 HD2 ARG 22 10.552 -8.848 6.229
128 HD3 ARG 22 HD3 ARG 22 8.797 -9.056 6.238
129 HE ARG 22 HE ARG 22 8.744 -8.663 8.547
130 HH11 ARG 22 HH11 ARG 22 12.069 -8.597 7.421
131 HH12 ARG 22 HH12 ARG 22 12.652 -7.839 8.880
132 HH21 ARG 22 HH21 ARG 22 9.545 -7.708 10.383
133 HH22 ARG 22 HH22 ARG 22 11.247 -7.359 10.527
134 H THR 23 H THR 23 8.711 -14.658 4.719
135 HA THR 23 HA THR 23 9.963 -15.096 2.095
136 HB THR 23 HB THR 23 8.129 -16.874 1.939
137 HG1 THR 23 HG1 THR 23 7.650 -17.102 4.523
138 HG21 THR 23 HG21 THR 23 9.214 -18.363 3.575
139 HG22 THR 23 HG22 THR 23 9.999 -16.973 4.348
140 HG23 THR 23 HG23 THR 23 10.426 -17.417 2.675
141 H GLY 24 H GLY 24 7.405 -13.300 3.487
142 HA2 GLY 24 HA2 GLY 24 6.830 -11.876 1.153
143 HA3 GLY 24 HA3 GLY 24 5.657 -13.202 1.234
144 H GLY 25 H GLY 25 3.876 -11.819 1.579
145 HA2 GLY 25 HA2 GLY 25 3.453 -11.177 4.355
146 HA3 GLY 25 HA3 GLY 25 3.667 -9.721 3.364
147 H TYR 26 H TYR 26 1.335 -10.111 4.670
148 HA TYR 26 HA TYR 26 -0.579 -10.741 2.457
149 HB2 TYR 26 HB2 TYR 26 -1.014 -11.242 5.424
150 HB3 TYR 26 HB3 TYR 26 -2.122 -11.645 4.106
151 HD1 TYR 26 HD2 TYR 26 -0.765 -13.147 2.150
152 HD2 TYR 26 HD1 TYR 26 0.069 -13.067 6.374
153 HE1 TYR 26 HE2 TYR 26 0.316 -15.389 1.986
154 HE2 TYR 26 HE1 TYR 26 1.148 -15.311 6.192
155 HH TYR 26 HH TYR 26 1.844 -16.973 4.792
156 H CYS 27 H CYS 27 -2.680 -9.527 2.842
157 HA CYS 27 HA CYS 27 -2.010 -6.859 3.986
158 HB2 CYS 27 HB2 CYS 27 -4.157 -7.576 1.973
159 HB3 CYS 27 HB3 CYS 27 -3.606 -5.954 2.435
160 H ALA 28 H ALA 28 -3.139 -6.040 5.602
161 HA ALA 28 HA ALA 28 -5.797 -7.192 6.328
162 HB1 ALA 28 HB1 ALA 28 -5.135 -7.177 8.715
163 HB2 ALA 28 HB2 ALA 28 -4.052 -8.258 7.809
164 HB3 ALA 28 HB3 ALA 28 -3.494 -6.636 8.288
165 H GLY 29 H GLY 29 -6.519 -5.395 8.286
166 HA2 GLY 29 HA2 GLY 29 -5.367 -2.806 7.900
167 HA3 GLY 29 HA3 GLY 29 -6.798 -2.989 6.870
168 HA PRO 30 HA PRO 30 -8.109 -1.505 11.130
169 HB2 PRO 30 HB2 PRO 30 -9.451 0.567 9.449
170 HB3 PRO 30 HB3 PRO 30 -8.468 0.783 10.927
171 HG2 PRO 30 HG2 PRO 30 -7.532 1.514 8.559
172 HG3 PRO 30 HG3 PRO 30 -6.468 0.675 9.734
173 HD2 PRO 30 HD2 PRO 30 -7.969 -0.483 7.382
174 HD3 PRO 30 HD3 PRO 30 -6.231 -0.662 7.826
175 H TRP 31 H TRP 31 -10.378 -0.907 11.757
176 HA TRP 31 HA TRP 31 -12.309 -2.792 10.789
177 HB2 TRP 31 HB2 TRP 31 -12.640 -0.336 12.550
178 HB3 TRP 31 HB3 TRP 31 -13.846 -1.620 12.332
179 HD1 TRP 31 HD1 TRP 31 -10.989 -0.720 14.523
180 HE1 TRP 31 HE1 TRP 31 -10.269 -2.647 16.019
181 HE3 TRP 31 HE3 TRP 31 -13.606 -4.447 12.188
182 HZ2 TRP 31 HZ2 TRP 31 -10.741 -5.457 16.182
183 HZ3 TRP 31 HZ3 TRP 31 -13.422 -6.780 13.074
184 HH2 TRP 31 HH2 TRP 31 -11.995 -7.264 15.060
185 H TYR 32 H TYR 32 -11.236 -0.177 9.167
186 HA TYR 32 HA TYR 32 -13.779 0.202 7.717
187 HB2 TYR 32 HB2 TYR 32 -13.254 2.680 7.601
188 HB3 TYR 32 HB3 TYR 32 -13.819 2.104 9.174
189 HD1 TYR 32 HD1 TYR 32 -10.795 3.232 7.294
190 HD2 TYR 32 HD2 TYR 32 -12.422 2.237 11.145
191 HE1 TYR 32 HE1 TYR 32 -8.790 4.216 8.392
192 HE2 TYR 32 HE2 TYR 32 -10.410 3.230 12.241
193 HH TYR 32 HH TYR 32 -8.412 4.317 11.928
194 H LEU 33 H LEU 33 -13.311 1.246 5.600
195 HA LEU 33 HA LEU 33 -12.331 1.097 3.553
196 HB2 LEU 33 HB2 LEU 33 -9.686 1.195 5.044
197 HB3 LEU 33 HB3 LEU 33 -9.877 1.349 3.304
198 HG LEU 33 HG LEU 33 -11.097 3.303 5.268
199 HD11 LEU 33 HD11 LEU 33 -8.463 3.480 3.749
200 HD12 LEU 33 HD12 LEU 33 -8.639 3.269 5.506
201 HD13 LEU 33 HD13 LEU 33 -9.192 4.768 4.735
202 HD21 LEU 33 HD21 LEU 33 -12.154 3.301 3.050
203 HD22 LEU 33 HD22 LEU 33 -10.561 3.454 2.273
204 HD23 LEU 33 HD23 LEU 33 -11.197 4.775 3.282
205 H GLY 34 H GLY 34 -9.811 -0.401 2.964
206 HA2 GLY 34 HA2 GLY 34 -11.046 -3.102 3.192
207 HA3 GLY 34 HA3 GLY 34 -9.940 -2.568 1.917
208 H HIS 35 H HIS 35 -7.929 -3.280 2.062
209 HA HIS 35 HA HIS 35 -6.832 -3.876 4.765
210 HB2 HIS 35 HB2 HIS 35 -6.411 -5.457 2.212
211 HB3 HIS 35 HB3 HIS 35 -5.649 -5.778 3.775
212 HD1 HIS 35 HD1 HIS 35 -8.263 -7.133 1.837
213 HD2 HIS 35 HD2 HIS 35 -7.954 -5.989 5.830
214 HE1 HIS 35 HE1 HIS 35 -10.082 -8.356 3.093
215 HA PRO 36 HA PRO 36 -4.005 -1.060 2.347
216 HB2 PRO 36 HB2 PRO 36 -4.094 0.593 4.835
217 HB3 PRO 36 HB3 PRO 36 -4.284 1.108 3.131
218 HG2 PRO 36 HG2 PRO 36 -6.374 1.063 4.772
219 HG3 PRO 36 HG3 PRO 36 -6.532 0.462 3.084
220 HD2 PRO 36 HD2 PRO 36 -6.075 -1.129 5.614
221 HD3 PRO 36 HD3 PRO 36 -7.318 -1.343 4.338
222 H THR 37 H THR 37 -3.835 -2.617 5.457
223 HA THR 37 HA THR 37 -1.063 -1.718 5.957
224 HB THR 37 HB THR 37 -2.999 -3.448 7.590
225 HG1 THR 37 HG1 THR 37 -2.898 -1.461 8.903
226 HG21 THR 37 HG21 THR 37 -0.706 -4.014 8.208
227 HG22 THR 37 HG22 THR 37 -1.399 -2.978 9.467
228 HG23 THR 37 HG23 THR 37 -0.268 -2.287 8.285
229 H CYS 38 H CYS 38 0.592 -2.849 5.133
230 HA CYS 38 HA CYS 38 0.252 -5.689 4.434
231 HB2 CYS 38 HB2 CYS 38 2.553 -3.713 4.274
232 HB3 CYS 38 HB3 CYS 38 2.797 -5.451 4.053
233 H THR 39 H THR 39 0.759 -7.334 5.685
234 HA THR 39 HA THR 39 2.278 -6.848 8.187
235 HB THR 39 HB THR 39 -0.081 -8.739 7.819
236 HG1 THR 39 HG1 THR 39 -0.635 -6.483 7.865
237 HG21 THR 39 HG21 THR 39 1.484 -7.900 10.292
238 HG22 THR 39 HG22 THR 39 1.531 -9.509 9.522
239 HG23 THR 39 HG23 THR 39 0.037 -8.930 10.288
240 H CYS 40 H CYS 40 3.986 -8.333 8.356
241 HA CYS 40 HA CYS 40 4.381 -9.747 5.812
242 HB2 CYS 40 HB2 CYS 40 6.315 -9.134 8.056
243 HB3 CYS 40 HB3 CYS 40 6.728 -9.759 6.453
244 H SER 41 H SER 41 5.258 -11.771 5.563
245 HA SER 41 HA SER 41 4.615 -13.646 7.807
246 HB2 SER 41 HB2 SER 41 3.131 -13.684 5.733
247 HB3 SER 41 HB3 SER 41 4.555 -14.223 4.821
248 HG SER 41 HG SER 41 4.657 -16.061 6.172
249 H PHE 42 H PHE 42 5.920 -15.509 7.932
250 HA PHE 42 HA PHE 42 8.574 -15.363 6.568
251 HB2 PHE 42 HB2 PHE 42 7.916 -16.313 9.391
252 HB3 PHE 42 HB3 PHE 42 9.495 -16.450 8.609
253 HD1 PHE 42 HD2 PHE 42 7.007 -14.025 9.983
254 HD2 PHE 42 HD1 PHE 42 11.039 -14.600 8.592
255 HE1 PHE 42 HE2 PHE 42 7.626 -11.788 10.881
256 HE2 PHE 42 HE1 PHE 42 11.676 -12.373 9.508
257 HZ PHE 42 HZ PHE 42 9.968 -10.960 10.659
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -1.527 1.525 1.874
2 H2 GLY 1 H2 GLY 1 -1.779 0.105 1.068
3 HA2 GLY 1 HA2 GLY 1 -0.462 1.578 -0.261
4 HA3 GLY 1 HA3 GLY 1 0.708 1.673 1.071
5 H PHE 2 H PHE 2 2.086 0.907 -0.907
6 HA PHE 2 HA PHE 2 3.299 -0.733 -1.902
7 HB2 PHE 2 HB2 PHE 2 2.520 -2.470 0.453
8 HB3 PHE 2 HB3 PHE 2 3.978 -2.576 -0.543
9 HD1 PHE 2 HD2 PHE 2 5.472 -0.378 -0.565
10 HD2 PHE 2 HD1 PHE 2 2.602 -1.342 2.493
11 HE1 PHE 2 HE2 PHE 2 6.614 1.192 0.986
12 HE2 PHE 2 HE1 PHE 2 3.755 0.222 4.059
13 HZ PHE 2 HZ PHE 2 5.753 1.492 3.308
14 H GLY 3 H GLY 3 0.837 -0.500 -3.000
15 HA2 GLY 3 HA2 GLY 3 -0.212 -1.664 -4.707
16 HA3 GLY 3 HA3 GLY 3 0.468 -3.175 -4.102
17 H CYS 4 H CYS 4 -0.608 -2.357 -1.320
18 HA CYS 4 HA CYS 4 -3.255 -3.545 -1.886
19 HB2 CYS 4 HB2 CYS 4 -1.183 -4.078 0.004
20 HB3 CYS 4 HB3 CYS 4 -2.667 -3.669 0.878
21 HA PRO 5 HA PRO 5 -5.224 -4.052 -0.716
22 HB2 PRO 5 HB2 PRO 5 -7.767 -3.214 -1.215
23 HB3 PRO 5 HB3 PRO 5 -7.102 -3.314 0.439
24 HG2 PRO 5 HG2 PRO 5 -7.306 -0.924 -1.374
25 HG3 PRO 5 HG3 PRO 5 -7.816 -1.083 0.335
26 HD2 PRO 5 HD2 PRO 5 -5.444 0.031 -0.369
27 HD3 PRO 5 HD3 PRO 5 -5.613 -0.962 1.114
28 H GLY 6 H GLY 6 -5.541 -5.159 -2.629
29 HA2 GLY 6 HA2 GLY 6 -6.606 -4.760 -4.971
30 HA3 GLY 6 HA3 GLY 6 -5.303 -3.557 -5.114
31 H ASP 7 H ASP 7 -3.075 -4.423 -4.445
32 HA ASP 7 HA ASP 7 -2.733 -7.165 -5.611
33 HB2 ASP 7 HB2 ASP 7 -1.781 -5.478 -7.079
34 HB3 ASP 7 HB3 ASP 7 -0.923 -4.741 -5.716
35 H ALA 8 H ALA 8 -1.795 -8.641 -4.402
36 HA ALA 8 HA ALA 8 -0.707 -7.870 -1.780
37 HB1 ALA 8 HB1 ALA 8 -0.768 -10.288 -1.311
38 HB2 ALA 8 HB2 ALA 8 -2.341 -9.721 -1.917
39 HB3 ALA 8 HB3 ALA 8 -1.239 -10.615 -3.001
40 H TYR 9 H TYR 9 0.483 -8.621 -4.980
41 HA TYR 9 HA TYR 9 2.841 -10.045 -4.166
42 HB2 TYR 9 HB2 TYR 9 1.941 -10.066 -6.471
43 HB3 TYR 9 HB3 TYR 9 2.410 -8.368 -6.660
44 HD1 TYR 9 HD1 TYR 9 3.828 -11.778 -5.947
45 HD2 TYR 9 HD2 TYR 9 4.621 -7.778 -7.319
46 HE1 TYR 9 HE1 TYR 9 6.141 -12.455 -6.609
47 HE2 TYR 9 HE2 TYR 9 6.923 -8.462 -7.982
48 HH TYR 9 HH TYR 9 8.468 -10.104 -7.966
49 H GLN 10 H GLN 10 2.329 -6.555 -4.992
50 HA GLN 10 HA GLN 10 5.044 -5.845 -4.393
51 HB2 GLN 10 HB2 GLN 10 3.401 -4.471 -5.679
52 HB3 GLN 10 HB3 GLN 10 2.574 -4.098 -4.166
53 HG2 GLN 10 HG2 GLN 10 4.578 -2.979 -3.310
54 HG3 GLN 10 HG3 GLN 10 5.479 -3.444 -4.756
55 HE21 GLN 10 HE21 GLN 10 4.683 -2.615 -6.827
56 HE22 GLN 10 HE22 GLN 10 3.962 -1.023 -6.860
57 H CYS 11 H CYS 11 2.217 -6.333 -2.344
58 HA CYS 11 HA CYS 11 3.278 -5.122 0.030
59 HB2 CYS 11 HB2 CYS 11 0.891 -5.786 -0.366
60 HB3 CYS 11 HB3 CYS 11 1.381 -7.476 -0.225
61 H SER 12 H SER 12 3.453 -8.403 -1.363
62 HA SER 12 HA SER 12 5.034 -9.557 0.743
63 HB2 SER 12 HB2 SER 12 3.765 -10.864 -0.949
64 HB3 SER 12 HB3 SER 12 4.867 -10.281 -2.211
65 HG SER 12 HG SER 12 5.515 -12.307 -1.481
66 H GLU 13 H GLU 13 5.932 -7.948 -2.354
67 HA GLU 13 HA GLU 13 8.711 -8.326 -2.109
68 HB2 GLU 13 HB2 GLU 13 7.126 -6.055 -3.324
69 HB3 GLU 13 HB3 GLU 13 8.874 -6.212 -3.479
70 HG2 GLU 13 HG2 GLU 13 8.559 -8.396 -4.601
71 HG3 GLU 13 HG3 GLU 13 6.810 -8.171 -4.513
72 H HIS 14 H HIS 14 6.595 -5.732 -0.879
73 HA HIS 14 HA HIS 14 8.641 -4.105 0.249
74 HB2 HIS 14 HB2 HIS 14 6.432 -3.227 0.035
75 HB3 HIS 14 HB3 HIS 14 5.717 -4.572 0.923
76 HD1 HIS 14 HD1 HIS 14 8.287 -1.831 1.757
77 HD2 HIS 14 HD2 HIS 14 5.095 -3.910 3.424
78 HE1 HIS 14 HE1 HIS 14 7.932 -0.890 4.069
79 H CYS 15 H CYS 15 6.717 -6.780 1.717
80 HA CYS 15 HA CYS 15 8.020 -6.619 4.250
81 HB2 CYS 15 HB2 CYS 15 6.513 -8.761 2.782
82 HB3 CYS 15 HB3 CYS 15 7.304 -9.107 4.328
83 H ARG 16 H ARG 16 8.787 -8.618 1.348
84 HA ARG 16 HA ARG 16 10.972 -10.004 2.596
85 HB2 ARG 16 HB2 ARG 16 10.394 -9.280 -0.293
86 HB3 ARG 16 HB3 ARG 16 11.744 -10.310 0.191
87 HG2 ARG 16 HG2 ARG 16 10.293 -12.021 1.001
88 HG3 ARG 16 HG3 ARG 16 8.894 -10.937 0.998
89 HD2 ARG 16 HD2 ARG 16 8.690 -12.435 -0.876
90 HD3 ARG 16 HD3 ARG 16 9.007 -10.796 -1.471
91 HE ARG 16 HE ARG 16 11.094 -11.463 -2.248
92 HH11 ARG 16 HH11 ARG 16 9.657 -14.136 -0.425
93 HH12 ARG 16 HH12 ARG 16 10.845 -15.271 -1.010
94 HH21 ARG 16 HH21 ARG 16 12.565 -12.980 -2.935
95 HH22 ARG 16 HH22 ARG 16 12.448 -14.633 -2.395
96 H ALA 17 H ALA 17 10.820 -6.833 0.949
97 HA ALA 17 HA ALA 17 13.628 -6.397 0.921
98 HB1 ALA 17 HB1 ALA 17 11.367 -4.365 1.064
99 HB2 ALA 17 HB2 ALA 17 13.040 -4.041 0.555
100 HB3 ALA 17 HB3 ALA 17 12.001 -5.103 -0.426
101 H LEU 18 H LEU 18 11.192 -5.963 3.462
102 HA LEU 18 HA LEU 18 12.864 -4.335 5.167
103 HB2 LEU 18 HB2 LEU 18 10.469 -6.087 5.756
104 HB3 LEU 18 HB3 LEU 18 11.259 -5.087 6.961
105 HG LEU 18 HG LEU 18 9.928 -3.988 4.471
106 HD11 LEU 18 HD11 LEU 18 8.941 -4.202 7.338
107 HD12 LEU 18 HD12 LEU 18 8.301 -5.084 5.922
108 HD13 LEU 18 HD13 LEU 18 8.123 -3.324 6.021
109 HD21 LEU 18 HD21 LEU 18 10.019 -1.837 5.716
110 HD22 LEU 18 HD22 LEU 18 11.628 -2.473 5.321
111 HD23 LEU 18 HD23 LEU 18 10.990 -2.632 6.973
112 H GLY 19 H GLY 19 12.947 -7.728 4.428
113 HA2 GLY 19 HA2 GLY 19 15.228 -8.134 6.019
114 HA3 GLY 19 HA3 GLY 19 13.837 -8.656 6.990
115 H GLY 20 H GLY 20 16.215 -9.984 5.404
116 HA2 GLY 20 HA2 GLY 20 15.009 -11.589 3.393
117 HA3 GLY 20 HA3 GLY 20 16.524 -11.924 4.239
118 H GLY 21 H GLY 21 14.742 -11.849 6.784
119 HA2 GLY 21 HA2 GLY 21 14.281 -14.719 6.854
120 HA3 GLY 21 HA3 GLY 21 13.907 -13.552 8.143
121 H ARG 22 H ARG 22 12.413 -11.904 6.002
122 HA ARG 22 HA ARG 22 9.884 -13.168 6.429
123 HB2 ARG 22 HB2 ARG 22 10.639 -10.608 5.014
124 HB3 ARG 22 HB3 ARG 22 8.978 -11.157 5.265
125 HG2 ARG 22 HG2 ARG 22 9.181 -10.966 7.643
126 HG3 ARG 22 HG3 ARG 22 10.923 -10.646 7.534
127 HD2 ARG 22 HD2 ARG 22 10.509 -8.536 6.396
128 HD3 ARG 22 HD3 ARG 22 8.776 -8.859 6.398
129 HE ARG 22 HE ARG 22 8.666 -8.411 8.696
130 HH11 ARG 22 HH11 ARG 22 11.980 -8.077 7.565
131 HH12 ARG 22 HH12 ARG 22 12.487 -7.219 8.996
132 HH21 ARG 22 HH21 ARG 22 9.370 -7.332 10.501
133 HH22 ARG 22 HH22 ARG 22 11.029 -6.817 10.634
134 H THR 23 H THR 23 8.884 -14.455 5.021
135 HA THR 23 HA THR 23 10.246 -14.941 2.455
136 HB THR 23 HB THR 23 8.591 -16.858 2.327
137 HG1 THR 23 HG1 THR 23 7.906 -17.064 4.823
138 HG21 THR 23 HG21 THR 23 9.676 -18.178 4.107
139 HG22 THR 23 HG22 THR 23 10.275 -16.690 4.866
140 HG23 THR 23 HG23 THR 23 10.873 -17.169 3.264
141 H GLY 24 H GLY 24 7.558 -13.230 3.708
142 HA2 GLY 24 HA2 GLY 24 6.933 -12.030 1.244
143 HA3 GLY 24 HA3 GLY 24 5.819 -13.386 1.478
144 H GLY 25 H GLY 25 4.062 -11.859 1.604
145 HA2 GLY 25 HA2 GLY 25 3.480 -11.187 4.332
146 HA3 GLY 25 HA3 GLY 25 3.840 -9.726 3.382
147 H TYR 26 H TYR 26 1.387 -10.125 4.548
148 HA TYR 26 HA TYR 26 -0.375 -10.420 2.150
149 HB2 TYR 26 HB2 TYR 26 -0.979 -11.456 4.945
150 HB3 TYR 26 HB3 TYR 26 -2.058 -11.515 3.543
151 HD1 TYR 26 HD2 TYR 26 -1.240 -12.869 1.459
152 HD2 TYR 26 HD1 TYR 26 0.533 -13.254 5.359
153 HE1 TYR 26 HE2 TYR 26 -0.249 -15.062 0.792
154 HE2 TYR 26 HE1 TYR 26 1.514 -15.445 4.687
155 HH TYR 26 HH TYR 26 1.766 -16.982 3.020
156 H CYS 27 H CYS 27 -2.525 -9.295 2.607
157 HA CYS 27 HA CYS 27 -1.875 -6.767 4.009
158 HB2 CYS 27 HB2 CYS 27 -4.134 -7.319 2.076
159 HB3 CYS 27 HB3 CYS 27 -3.488 -5.745 2.573
160 H ALA 28 H ALA 28 -3.202 -5.794 5.466
161 HA ALA 28 HA ALA 28 -5.788 -7.017 6.220
162 HB1 ALA 28 HB1 ALA 28 -5.160 -7.096 8.623
163 HB2 ALA 28 HB2 ALA 28 -4.083 -8.158 7.688
164 HB3 ALA 28 HB3 ALA 28 -3.508 -6.561 8.225
165 H GLY 29 H GLY 29 -6.505 -5.280 8.240
166 HA2 GLY 29 HA2 GLY 29 -5.324 -2.694 7.956
167 HA3 GLY 29 HA3 GLY 29 -6.755 -2.828 6.909
168 HA PRO 30 HA PRO 30 -8.045 -1.488 11.256
169 HB2 PRO 30 HB2 PRO 30 -9.262 0.743 9.696
170 HB3 PRO 30 HB3 PRO 30 -8.268 0.814 11.187
171 HG2 PRO 30 HG2 PRO 30 -7.289 1.640 8.861
172 HG3 PRO 30 HG3 PRO 30 -6.274 0.683 9.987
173 HD2 PRO 30 HD2 PRO 30 -7.822 -0.261 7.568
174 HD3 PRO 30 HD3 PRO 30 -6.100 -0.551 8.005
175 H TRP 31 H TRP 31 -10.292 -0.753 11.867
176 HA TRP 31 HA TRP 31 -12.323 -2.504 10.850
177 HB2 TRP 31 HB2 TRP 31 -12.531 -0.005 12.571
178 HB3 TRP 31 HB3 TRP 31 -13.823 -1.187 12.330
179 HD1 TRP 31 HD1 TRP 31 -10.973 -0.474 14.593
180 HE1 TRP 31 HE1 TRP 31 -10.500 -2.404 16.181
181 HE3 TRP 31 HE3 TRP 31 -13.842 -4.017 12.267
182 HZ2 TRP 31 HZ2 TRP 31 -11.248 -5.150 16.412
183 HZ3 TRP 31 HZ3 TRP 31 -13.924 -6.320 13.242
184 HH2 TRP 31 HH2 TRP 31 -12.633 -6.869 15.304
185 H TYR 32 H TYR 32 -11.064 0.179 9.367
186 HA TYR 32 HA TYR 32 -13.529 0.641 7.798
187 HB2 TYR 32 HB2 TYR 32 -12.871 3.111 7.754
188 HB3 TYR 32 HB3 TYR 32 -13.611 2.516 9.246
189 HD1 TYR 32 HD1 TYR 32 -10.332 3.465 7.708
190 HD2 TYR 32 HD2 TYR 32 -12.458 2.608 11.341
191 HE1 TYR 32 HE1 TYR 32 -8.403 4.318 9.037
192 HE2 TYR 32 HE2 TYR 32 -10.526 3.453 12.671
193 HH TYR 32 HH TYR 32 -8.443 4.386 12.606
194 H LEU 33 H LEU 33 -12.960 1.685 5.732
195 HA LEU 33 HA LEU 33 -11.892 1.601 3.729
196 HB2 LEU 33 HB2 LEU 33 -9.282 1.460 5.284
197 HB3 LEU 33 HB3 LEU 33 -9.442 1.747 3.560
198 HG LEU 33 HG LEU 33 -10.560 3.615 5.662
199 HD11 LEU 33 HD11 LEU 33 -7.925 3.745 4.148
200 HD12 LEU 33 HD12 LEU 33 -8.119 3.402 5.883
201 HD13 LEU 33 HD13 LEU 33 -8.571 4.991 5.237
202 HD21 LEU 33 HD21 LEU 33 -11.617 3.845 3.450
203 HD22 LEU 33 HD22 LEU 33 -10.018 3.968 2.684
204 HD23 LEU 33 HD23 LEU 33 -10.579 5.237 3.790
205 H GLY 34 H GLY 34 -9.561 -0.004 3.002
206 HA2 GLY 34 HA2 GLY 34 -10.902 -2.651 3.219
207 HA3 GLY 34 HA3 GLY 34 -9.783 -2.144 1.945
208 H HIS 35 H HIS 35 -7.784 -2.883 2.059
209 HA HIS 35 HA HIS 35 -6.718 -3.658 4.729
210 HB2 HIS 35 HB2 HIS 35 -6.240 -5.104 2.104
211 HB3 HIS 35 HB3 HIS 35 -5.599 -5.549 3.693
212 HD1 HIS 35 HD1 HIS 35 -8.297 -6.409 1.458
213 HD2 HIS 35 HD2 HIS 35 -7.875 -6.057 5.590
214 HE1 HIS 35 HE1 HIS 35 -10.198 -7.699 2.506
215 HA PRO 36 HA PRO 36 -3.820 -0.784 2.456
216 HB2 PRO 36 HB2 PRO 36 -3.878 0.775 5.002
217 HB3 PRO 36 HB3 PRO 36 -4.058 1.355 3.316
218 HG2 PRO 36 HG2 PRO 36 -6.144 1.301 4.956
219 HG3 PRO 36 HG3 PRO 36 -6.323 0.777 3.246
220 HD2 PRO 36 HD2 PRO 36 -5.903 -0.922 5.712
221 HD3 PRO 36 HD3 PRO 36 -7.154 -1.065 4.429
222 H THR 37 H THR 37 -3.737 -2.426 5.526
223 HA THR 37 HA THR 37 -0.951 -1.650 6.110
224 HB THR 37 HB THR 37 -2.978 -3.374 7.618
225 HG1 THR 37 HG1 THR 37 -2.843 -1.472 9.026
226 HG21 THR 37 HG21 THR 37 -0.755 -4.109 8.270
227 HG22 THR 37 HG22 THR 37 -1.390 -3.060 9.548
228 HG23 THR 37 HG23 THR 37 -0.190 -2.421 8.408
229 H CYS 38 H CYS 38 0.722 -2.795 5.336
230 HA CYS 38 HA CYS 38 0.339 -5.585 4.490
231 HB2 CYS 38 HB2 CYS 38 2.660 -3.640 4.483
232 HB3 CYS 38 HB3 CYS 38 2.935 -5.377 4.273
233 H THR 39 H THR 39 0.781 -7.321 5.674
234 HA THR 39 HA THR 39 2.193 -6.974 8.259
235 HB THR 39 HB THR 39 -0.145 -8.831 7.683
236 HG1 THR 39 HG1 THR 39 -0.736 -6.612 7.833
237 HG21 THR 39 HG21 THR 39 1.313 -8.152 10.266
238 HG22 THR 39 HG22 THR 39 1.370 -9.711 9.406
239 HG23 THR 39 HG23 THR 39 -0.148 -9.152 10.140
240 H CYS 40 H CYS 40 3.883 -8.464 8.452
241 HA CYS 40 HA CYS 40 4.395 -9.793 5.879
242 HB2 CYS 40 HB2 CYS 40 6.260 -9.231 8.194
243 HB3 CYS 40 HB3 CYS 40 6.717 -9.823 6.590
244 H SER 41 H SER 41 5.320 -11.789 5.622
245 HA SER 41 HA SER 41 4.550 -13.751 7.742
246 HB2 SER 41 HB2 SER 41 3.241 -13.737 5.556
247 HB3 SER 41 HB3 SER 41 4.754 -14.186 4.736
248 HG SER 41 HG SER 41 4.811 -16.088 5.999
249 H PHE 42 H PHE 42 5.961 -15.545 7.981
250 HA PHE 42 HA PHE 42 8.711 -15.224 6.874
251 HB2 PHE 42 HB2 PHE 42 7.885 -16.062 9.688
252 HB3 PHE 42 HB3 PHE 42 9.530 -16.108 9.045
253 HD1 PHE 42 HD2 PHE 42 6.737 -13.820 10.029
254 HD2 PHE 42 HD1 PHE 42 10.924 -14.151 9.087
255 HE1 PHE 42 HE2 PHE 42 7.098 -11.502 10.866
256 HE2 PHE 42 HE1 PHE 42 11.306 -11.838 9.939
257 HZ PHE 42 HZ PHE 42 9.387 -10.514 10.834
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -1.337 1.471 2.130
2 H2 GLY 1 H2 GLY 1 -1.614 0.127 1.216
3 HA2 GLY 1 HA2 GLY 1 -0.238 1.662 0.018
4 HA3 GLY 1 HA3 GLY 1 0.921 1.604 1.360
5 H PHE 2 H PHE 2 2.255 0.969 -0.714
6 HA PHE 2 HA PHE 2 3.428 -0.639 -1.821
7 HB2 PHE 2 HB2 PHE 2 2.640 -2.495 0.434
8 HB3 PHE 2 HB3 PHE 2 4.088 -2.565 -0.577
9 HD1 PHE 2 HD2 PHE 2 5.666 -0.444 -0.458
10 HD2 PHE 2 HD1 PHE 2 2.737 -1.468 2.524
11 HE1 PHE 2 HE2 PHE 2 6.862 0.983 1.202
12 HE2 PHE 2 HE1 PHE 2 3.927 -0.050 4.194
13 HZ PHE 2 HZ PHE 2 5.995 1.178 3.534
14 H GLY 3 H GLY 3 0.928 -0.345 -2.891
15 HA2 GLY 3 HA2 GLY 3 -0.188 -1.455 -4.592
16 HA3 GLY 3 HA3 GLY 3 0.553 -2.976 -4.086
17 H CYS 4 H CYS 4 -0.558 -2.146 -1.219
18 HA CYS 4 HA CYS 4 -3.175 -3.394 -1.797
19 HB2 CYS 4 HB2 CYS 4 -1.084 -3.961 0.069
20 HB3 CYS 4 HB3 CYS 4 -2.587 -3.621 0.949
21 HA PRO 5 HA PRO 5 -5.152 -3.930 -0.531
22 HB2 PRO 5 HB2 PRO 5 -7.682 -3.058 -1.056
23 HB3 PRO 5 HB3 PRO 5 -7.025 -3.161 0.609
24 HG2 PRO 5 HG2 PRO 5 -7.184 -0.764 -1.205
25 HG3 PRO 5 HG3 PRO 5 -7.698 -0.919 0.505
26 HD2 PRO 5 HD2 PRO 5 -5.314 0.160 -0.181
27 HD3 PRO 5 HD3 PRO 5 -5.502 -0.856 1.287
28 H GLY 6 H GLY 6 -5.397 -5.052 -2.422
29 HA2 GLY 6 HA2 GLY 6 -6.452 -4.632 -4.797
30 HA3 GLY 6 HA3 GLY 6 -5.091 -3.499 -4.922
31 H ASP 7 H ASP 7 -2.903 -4.476 -4.257
32 HA ASP 7 HA ASP 7 -2.726 -7.257 -5.367
33 HB2 ASP 7 HB2 ASP 7 -1.814 -5.625 -6.929
34 HB3 ASP 7 HB3 ASP 7 -0.823 -4.919 -5.641
35 H ALA 8 H ALA 8 -1.882 -8.732 -4.116
36 HA ALA 8 HA ALA 8 -0.604 -7.970 -1.585
37 HB1 ALA 8 HB1 ALA 8 -0.679 -10.393 -1.108
38 HB2 ALA 8 HB2 ALA 8 -2.273 -9.796 -1.640
39 HB3 ALA 8 HB3 ALA 8 -1.240 -10.709 -2.768
40 H TYR 9 H TYR 9 0.439 -8.809 -4.826
41 HA TYR 9 HA TYR 9 2.862 -10.169 -4.046
42 HB2 TYR 9 HB2 TYR 9 1.992 -10.432 -6.291
43 HB3 TYR 9 HB3 TYR 9 2.131 -8.693 -6.593
44 HD1 TYR 9 HD1 TYR 9 4.171 -11.767 -5.882
45 HD2 TYR 9 HD2 TYR 9 4.160 -7.722 -7.351
46 HE1 TYR 9 HE1 TYR 9 6.543 -12.016 -6.629
47 HE2 TYR 9 HE2 TYR 9 6.511 -7.983 -8.090
48 HH TYR 9 HH TYR 9 8.401 -9.259 -7.896
49 H GLN 10 H GLN 10 2.241 -6.725 -4.998
50 HA GLN 10 HA GLN 10 4.957 -5.931 -4.542
51 HB2 GLN 10 HB2 GLN 10 3.211 -4.648 -5.795
52 HB3 GLN 10 HB3 GLN 10 2.454 -4.231 -4.253
53 HG2 GLN 10 HG2 GLN 10 4.471 -3.041 -3.544
54 HG3 GLN 10 HG3 GLN 10 5.312 -3.548 -5.020
55 HE21 GLN 10 HE21 GLN 10 4.256 -2.873 -7.091
56 HE22 GLN 10 HE22 GLN 10 3.561 -1.269 -7.135
57 H CYS 11 H CYS 11 2.186 -6.311 -2.365
58 HA CYS 11 HA CYS 11 3.332 -5.052 -0.065
59 HB2 CYS 11 HB2 CYS 11 0.933 -5.719 -0.343
60 HB3 CYS 11 HB3 CYS 11 1.419 -7.411 -0.222
61 H SER 12 H SER 12 3.477 -8.378 -1.367
62 HA SER 12 HA SER 12 5.081 -9.495 0.734
63 HB2 SER 12 HB2 SER 12 3.814 -10.843 -0.906
64 HB3 SER 12 HB3 SER 12 4.856 -10.249 -2.209
65 HG SER 12 HG SER 12 5.586 -12.247 -1.518
66 H GLU 13 H GLU 13 5.981 -7.933 -2.403
67 HA GLU 13 HA GLU 13 8.748 -8.349 -2.129
68 HB2 GLU 13 HB2 GLU 13 7.203 -6.101 -3.450
69 HB3 GLU 13 HB3 GLU 13 8.959 -6.278 -3.563
70 HG2 GLU 13 HG2 GLU 13 8.630 -8.529 -4.570
71 HG3 GLU 13 HG3 GLU 13 6.882 -8.234 -4.573
72 H HIS 14 H HIS 14 6.659 -5.706 -0.967
73 HA HIS 14 HA HIS 14 8.712 -4.084 0.150
74 HB2 HIS 14 HB2 HIS 14 6.690 -2.991 0.092
75 HB3 HIS 14 HB3 HIS 14 5.770 -4.435 0.505
76 HD1 HIS 14 HD1 HIS 14 8.182 -2.054 2.331
77 HD2 HIS 14 HD2 HIS 14 4.832 -4.429 3.009
78 HE1 HIS 14 HE1 HIS 14 7.492 -1.672 4.728
79 H CYS 15 H CYS 15 6.780 -6.741 1.619
80 HA CYS 15 HA CYS 15 8.029 -6.551 4.182
81 HB2 CYS 15 HB2 CYS 15 6.519 -8.685 2.715
82 HB3 CYS 15 HB3 CYS 15 7.285 -9.030 4.270
83 H ARG 16 H ARG 16 8.832 -8.554 1.318
84 HA ARG 16 HA ARG 16 10.963 -9.993 2.592
85 HB2 ARG 16 HB2 ARG 16 10.446 -9.239 -0.297
86 HB3 ARG 16 HB3 ARG 16 11.767 -10.304 0.207
87 HG2 ARG 16 HG2 ARG 16 10.267 -11.980 0.971
88 HG3 ARG 16 HG3 ARG 16 8.890 -10.875 0.944
89 HD2 ARG 16 HD2 ARG 16 8.723 -12.366 -0.952
90 HD3 ARG 16 HD3 ARG 16 9.054 -10.722 -1.523
91 HE ARG 16 HE ARG 16 11.162 -11.370 -2.256
92 HH11 ARG 16 HH11 ARG 16 9.697 -14.069 -0.489
93 HH12 ARG 16 HH12 ARG 16 10.926 -15.189 -1.026
94 HH21 ARG 16 HH21 ARG 16 12.668 -12.864 -2.902
95 HH22 ARG 16 HH22 ARG 16 12.567 -14.517 -2.365
96 H ALA 17 H ALA 17 10.862 -6.800 1.018
97 HA ALA 17 HA ALA 17 13.680 -6.398 0.963
98 HB1 ALA 17 HB1 ALA 17 13.136 -4.039 0.647
99 HB2 ALA 17 HB2 ALA 17 12.027 -5.042 -0.318
100 HB3 ALA 17 HB3 ALA 17 11.475 -4.315 1.211
101 H LEU 18 H LEU 18 11.290 -6.019 3.555
102 HA LEU 18 HA LEU 18 12.999 -4.456 5.293
103 HB2 LEU 18 HB2 LEU 18 10.693 -6.316 5.962
104 HB3 LEU 18 HB3 LEU 18 11.455 -5.200 7.086
105 HG LEU 18 HG LEU 18 9.921 -4.348 4.621
106 HD11 LEU 18 HD11 LEU 18 9.110 -4.404 7.550
107 HD12 LEU 18 HD12 LEU 18 8.492 -5.476 6.268
108 HD13 LEU 18 HD13 LEU 18 8.149 -3.741 6.214
109 HD21 LEU 18 HD21 LEU 18 9.937 -2.118 5.711
110 HD22 LEU 18 HD22 LEU 18 11.571 -2.670 5.295
111 HD23 LEU 18 HD23 LEU 18 11.012 -2.762 6.977
112 H GLY 19 H GLY 19 13.020 -7.793 4.371
113 HA2 GLY 19 HA2 GLY 19 15.361 -8.419 5.736
114 HA3 GLY 19 HA3 GLY 19 14.044 -8.843 6.854
115 H GLY 20 H GLY 20 16.080 -10.271 4.813
116 HA2 GLY 20 HA2 GLY 20 14.412 -11.723 3.037
117 HA3 GLY 20 HA3 GLY 20 16.040 -12.172 3.549
118 H GLY 21 H GLY 21 14.724 -12.071 6.388
119 HA2 GLY 21 HA2 GLY 21 14.196 -14.908 6.564
120 HA3 GLY 21 HA3 GLY 21 13.951 -13.706 7.856
121 H ARG 22 H ARG 22 12.283 -12.063 5.878
122 HA ARG 22 HA ARG 22 9.787 -13.379 6.381
123 HB2 ARG 22 HB2 ARG 22 10.430 -10.773 4.996
124 HB3 ARG 22 HB3 ARG 22 8.797 -11.360 5.329
125 HG2 ARG 22 HG2 ARG 22 9.053 -11.080 7.666
126 HG3 ARG 22 HG3 ARG 22 10.818 -10.937 7.542
127 HD2 ARG 22 HD2 ARG 22 10.588 -8.813 6.350
128 HD3 ARG 22 HD3 ARG 22 8.827 -8.937 6.456
129 HE ARG 22 HE ARG 22 8.918 -8.460 8.752
130 HH11 ARG 22 HH11 ARG 22 12.160 -8.576 7.434
131 HH12 ARG 22 HH12 ARG 22 12.861 -7.774 8.813
132 HH21 ARG 22 HH21 ARG 22 9.860 -7.451 10.496
133 HH22 ARG 22 HH22 ARG 22 11.578 -7.161 10.517
134 H THR 23 H THR 23 8.785 -14.647 4.910
135 HA THR 23 HA THR 23 10.144 -15.007 2.323
136 HB THR 23 HB THR 23 8.361 -16.830 2.069
137 HG1 THR 23 HG1 THR 23 7.871 -17.023 4.706
138 HG21 THR 23 HG21 THR 23 9.433 -18.321 3.720
139 HG22 THR 23 HG22 THR 23 10.163 -16.920 4.529
140 HG23 THR 23 HG23 THR 23 10.642 -17.339 2.860
141 H GLY 24 H GLY 24 7.499 -13.294 3.657
142 HA2 GLY 24 HA2 GLY 24 6.956 -11.894 1.279
143 HA3 GLY 24 HA3 GLY 24 5.796 -13.224 1.385
144 H GLY 25 H GLY 25 4.025 -11.808 1.630
145 HA2 GLY 25 HA2 GLY 25 3.454 -11.166 4.355
146 HA3 GLY 25 HA3 GLY 25 3.807 -9.692 3.430
147 H TYR 26 H TYR 26 1.357 -10.045 4.559
148 HA TYR 26 HA TYR 26 -0.398 -10.401 2.163
149 HB2 TYR 26 HB2 TYR 26 -1.006 -11.395 4.976
150 HB3 TYR 26 HB3 TYR 26 -2.069 -11.511 3.568
151 HD1 TYR 26 HD2 TYR 26 -1.125 -12.859 1.501
152 HD2 TYR 26 HD1 TYR 26 0.474 -13.183 5.483
153 HE1 TYR 26 HE2 TYR 26 -0.085 -15.052 0.909
154 HE2 TYR 26 HE1 TYR 26 1.496 -15.383 4.886
155 HH TYR 26 HH TYR 26 1.858 -16.928 3.242
156 H CYS 27 H CYS 27 -2.520 -9.236 2.565
157 HA CYS 27 HA CYS 27 -1.889 -6.730 4.023
158 HB2 CYS 27 HB2 CYS 27 -4.080 -7.215 2.005
159 HB3 CYS 27 HB3 CYS 27 -3.411 -5.665 2.546
160 H ALA 28 H ALA 28 -3.231 -5.823 5.506
161 HA ALA 28 HA ALA 28 -5.879 -7.003 6.060
162 HB1 ALA 28 HB1 ALA 28 -5.379 -7.287 8.483
163 HB2 ALA 28 HB2 ALA 28 -4.306 -8.328 7.521
164 HB3 ALA 28 HB3 ALA 28 -3.683 -6.804 8.204
165 H GLY 29 H GLY 29 -6.571 -5.394 8.241
166 HA2 GLY 29 HA2 GLY 29 -5.272 -2.841 8.088
167 HA3 GLY 29 HA3 GLY 29 -6.736 -2.849 7.094
168 HA PRO 30 HA PRO 30 -7.793 -1.714 11.570
169 HB2 PRO 30 HB2 PRO 30 -8.718 0.769 10.181
170 HB3 PRO 30 HB3 PRO 30 -7.745 0.602 11.679
171 HG2 PRO 30 HG2 PRO 30 -6.624 1.475 9.451
172 HG3 PRO 30 HG3 PRO 30 -5.770 0.277 10.481
173 HD2 PRO 30 HD2 PRO 30 -7.437 -0.215 8.004
174 HD3 PRO 30 HD3 PRO 30 -5.759 -0.758 8.373
175 H TRP 31 H TRP 31 -9.931 -0.736 12.242
176 HA TRP 31 HA TRP 31 -12.135 -2.187 11.136
177 HB2 TRP 31 HB2 TRP 31 -12.209 0.258 12.941
178 HB3 TRP 31 HB3 TRP 31 -13.475 -0.962 12.742
179 HD1 TRP 31 HD1 TRP 31 -10.733 -0.131 15.025
180 HE1 TRP 31 HE1 TRP 31 -10.066 -2.072 16.528
181 HE3 TRP 31 HE3 TRP 31 -13.148 -3.853 12.475
182 HZ2 TRP 31 HZ2 TRP 31 -10.502 -4.891 16.611
183 HZ3 TRP 31 HZ3 TRP 31 -12.979 -6.197 13.334
184 HH2 TRP 31 HH2 TRP 31 -11.658 -6.699 15.386
185 H TYR 32 H TYR 32 -10.608 0.339 9.701
186 HA TYR 32 HA TYR 32 -13.055 1.172 8.254
187 HB2 TYR 32 HB2 TYR 32 -12.083 3.504 8.149
188 HB3 TYR 32 HB3 TYR 32 -12.712 3.029 9.730
189 HD1 TYR 32 HD1 TYR 32 -9.562 3.573 7.790
190 HD2 TYR 32 HD2 TYR 32 -11.294 2.926 11.675
191 HE1 TYR 32 HE1 TYR 32 -7.388 4.166 8.861
192 HE2 TYR 32 HE2 TYR 32 -9.113 3.522 12.738
193 HH TYR 32 HH TYR 32 -6.957 4.175 12.409
194 H LEU 33 H LEU 33 -12.585 1.842 6.122
195 HA LEU 33 HA LEU 33 -11.683 1.541 4.058
196 HB2 LEU 33 HB2 LEU 33 -8.976 1.429 5.433
197 HB3 LEU 33 HB3 LEU 33 -9.242 1.583 3.705
198 HG LEU 33 HG LEU 33 -10.136 3.656 5.726
199 HD11 LEU 33 HD11 LEU 33 -7.657 3.574 3.958
200 HD12 LEU 33 HD12 LEU 33 -7.690 3.404 5.729
201 HD13 LEU 33 HD13 LEU 33 -8.168 4.941 4.977
202 HD21 LEU 33 HD21 LEU 33 -11.398 3.756 3.621
203 HD22 LEU 33 HD22 LEU 33 -9.886 3.736 2.687
204 HD23 LEU 33 HD23 LEU 33 -10.278 5.124 3.726
205 H GLY 34 H GLY 34 -9.671 -0.147 3.089
206 HA2 GLY 34 HA2 GLY 34 -10.963 -2.742 3.706
207 HA3 GLY 34 HA3 GLY 34 -10.007 -2.358 2.268
208 H HIS 35 H HIS 35 -7.851 -2.814 2.238
209 HA HIS 35 HA HIS 35 -6.659 -3.763 4.799
210 HB2 HIS 35 HB2 HIS 35 -6.119 -4.907 2.041
211 HB3 HIS 35 HB3 HIS 35 -5.460 -5.469 3.583
212 HD1 HIS 35 HD1 HIS 35 -7.339 -7.128 1.489
213 HD2 HIS 35 HD2 HIS 35 -8.426 -5.484 5.164
214 HE1 HIS 35 HE1 HIS 35 -9.364 -8.404 2.297
215 HA PRO 36 HA PRO 36 -3.950 -0.540 2.751
216 HB2 PRO 36 HB2 PRO 36 -4.041 0.763 5.442
217 HB3 PRO 36 HB3 PRO 36 -4.245 1.499 3.822
218 HG2 PRO 36 HG2 PRO 36 -6.317 1.211 5.448
219 HG3 PRO 36 HG3 PRO 36 -6.480 0.846 3.697
220 HD2 PRO 36 HD2 PRO 36 -6.009 -1.066 5.989
221 HD3 PRO 36 HD3 PRO 36 -7.249 -1.120 4.691
222 H THR 37 H THR 37 -3.785 -2.395 5.718
223 HA THR 37 HA THR 37 -0.993 -1.618 6.266
224 HB THR 37 HB THR 37 -2.935 -3.491 7.714
225 HG1 THR 37 HG1 THR 37 -2.838 -1.659 9.222
226 HG21 THR 37 HG21 THR 37 -0.657 -4.145 8.274
227 HG22 THR 37 HG22 THR 37 -1.331 -3.216 9.628
228 HG23 THR 37 HG23 THR 37 -0.187 -2.437 8.513
229 H CYS 38 H CYS 38 0.706 -2.747 5.543
230 HA CYS 38 HA CYS 38 0.307 -5.489 4.498
231 HB2 CYS 38 HB2 CYS 38 2.555 -3.477 4.467
232 HB3 CYS 38 HB3 CYS 38 2.922 -5.199 4.288
233 H THR 39 H THR 39 0.661 -7.222 5.713
234 HA THR 39 HA THR 39 2.162 -6.906 8.256
235 HB THR 39 HB THR 39 -0.115 -8.837 7.652
236 HG1 THR 39 HG1 THR 39 -1.342 -7.514 8.976
237 HG21 THR 39 HG21 THR 39 1.336 -8.181 10.253
238 HG22 THR 39 HG22 THR 39 1.484 -9.698 9.320
239 HG23 THR 39 HG23 THR 39 -0.061 -9.269 10.081
240 H CYS 40 H CYS 40 3.913 -8.302 8.379
241 HA CYS 40 HA CYS 40 4.412 -9.694 5.831
242 HB2 CYS 40 HB2 CYS 40 6.285 -9.061 8.125
243 HB3 CYS 40 HB3 CYS 40 6.741 -9.680 6.530
244 H SER 41 H SER 41 5.293 -11.730 5.644
245 HA SER 41 HA SER 41 4.567 -13.562 7.904
246 HB2 SER 41 HB2 SER 41 3.089 -13.623 5.839
247 HB3 SER 41 HB3 SER 41 4.517 -14.121 4.910
248 HG SER 41 HG SER 41 4.661 -15.975 6.278
249 H PHE 42 H PHE 42 5.941 -15.333 8.203
250 HA PHE 42 HA PHE 42 8.618 -15.156 6.888
251 HB2 PHE 42 HB2 PHE 42 7.864 -16.159 9.666
252 HB3 PHE 42 HB3 PHE 42 9.480 -16.220 8.954
253 HD1 PHE 42 HD2 PHE 42 6.839 -13.940 10.276
254 HD2 PHE 42 HD1 PHE 42 10.929 -14.289 8.988
255 HE1 PHE 42 HE2 PHE 42 7.321 -11.689 11.227
256 HE2 PHE 42 HE1 PHE 42 11.427 -12.044 9.948
257 HZ PHE 42 HZ PHE 42 9.625 -10.744 11.080
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -1.392 1.368 1.867
2 H2 GLY 1 H2 GLY 1 -1.645 -0.028 1.027
3 HA2 GLY 1 HA2 GLY 1 -0.374 1.515 -0.278
4 HA3 GLY 1 HA3 GLY 1 0.830 1.550 1.021
5 H PHE 2 H PHE 2 2.117 0.869 -1.067
6 HA PHE 2 HA PHE 2 3.270 -0.754 -2.189
7 HB2 PHE 2 HB2 PHE 2 2.679 -2.461 0.240
8 HB3 PHE 2 HB3 PHE 2 3.995 -2.671 -0.925
9 HD1 PHE 2 HD2 PHE 2 5.616 -0.610 -1.208
10 HD2 PHE 2 HD1 PHE 2 3.067 -1.257 2.203
11 HE1 PHE 2 HE2 PHE 2 7.064 0.900 0.149
12 HE2 PHE 2 HE1 PHE 2 4.507 0.253 3.573
13 HZ PHE 2 HZ PHE 2 6.505 1.334 2.545
14 H GLY 3 H GLY 3 0.851 -0.548 -3.244
15 HA2 GLY 3 HA2 GLY 3 -0.311 -1.723 -4.859
16 HA3 GLY 3 HA3 GLY 3 0.417 -3.222 -4.283
17 H CYS 4 H CYS 4 -0.603 -2.299 -1.470
18 HA CYS 4 HA CYS 4 -3.234 -3.574 -1.915
19 HB2 CYS 4 HB2 CYS 4 -1.102 -3.965 -0.034
20 HB3 CYS 4 HB3 CYS 4 -2.621 -3.655 0.819
21 HA PRO 5 HA PRO 5 -5.175 -4.057 -0.717
22 HB2 PRO 5 HB2 PRO 5 -7.727 -3.245 -1.208
23 HB3 PRO 5 HB3 PRO 5 -7.035 -3.305 0.446
24 HG2 PRO 5 HG2 PRO 5 -7.296 -0.964 -1.417
25 HG3 PRO 5 HG3 PRO 5 -7.769 -1.091 0.306
26 HD2 PRO 5 HD2 PRO 5 -5.429 0.035 -0.485
27 HD3 PRO 5 HD3 PRO 5 -5.563 -0.909 1.038
28 H GLY 6 H GLY 6 -5.568 -5.209 -2.595
29 HA2 GLY 6 HA2 GLY 6 -6.623 -4.823 -4.947
30 HA3 GLY 6 HA3 GLY 6 -5.286 -3.670 -5.119
31 H ASP 7 H ASP 7 -3.083 -4.605 -4.436
32 HA ASP 7 HA ASP 7 -2.845 -7.424 -5.446
33 HB2 ASP 7 HB2 ASP 7 -2.106 -5.877 -7.177
34 HB3 ASP 7 HB3 ASP 7 -1.086 -5.016 -6.009
35 H ALA 8 H ALA 8 -1.927 -8.745 -4.054
36 HA ALA 8 HA ALA 8 -0.549 -7.670 -1.700
37 HB1 ALA 8 HB1 ALA 8 -0.540 -10.012 -0.943
38 HB2 ALA 8 HB2 ALA 8 -2.169 -9.500 -1.435
39 HB3 ALA 8 HB3 ALA 8 -1.190 -10.536 -2.511
40 H TYR 9 H TYR 9 0.420 -8.657 -4.874
41 HA TYR 9 HA TYR 9 2.830 -10.051 -4.156
42 HB2 TYR 9 HB2 TYR 9 1.831 -10.122 -6.410
43 HB3 TYR 9 HB3 TYR 9 2.201 -8.415 -6.636
44 HD1 TYR 9 HD1 TYR 9 3.712 -11.800 -6.329
45 HD2 TYR 9 HD2 TYR 9 4.439 -7.645 -7.188
46 HE1 TYR 9 HE1 TYR 9 5.984 -12.367 -7.208
47 HE2 TYR 9 HE2 TYR 9 6.699 -8.221 -8.057
48 HH TYR 9 HH TYR 9 8.234 -9.844 -8.379
49 H GLN 10 H GLN 10 2.256 -6.577 -4.983
50 HA GLN 10 HA GLN 10 4.992 -5.862 -4.507
51 HB2 GLN 10 HB2 GLN 10 3.293 -4.519 -5.769
52 HB3 GLN 10 HB3 GLN 10 2.568 -4.072 -4.229
53 HG2 GLN 10 HG2 GLN 10 4.648 -2.985 -3.528
54 HG3 GLN 10 HG3 GLN 10 5.447 -3.525 -5.011
55 HE21 GLN 10 HE21 GLN 10 4.832 -2.617 -7.007
56 HE22 GLN 10 HE22 GLN 10 4.049 -1.056 -7.070
57 H CYS 11 H CYS 11 2.236 -6.248 -2.327
58 HA CYS 11 HA CYS 11 3.427 -5.004 -0.027
59 HB2 CYS 11 HB2 CYS 11 1.014 -5.581 -0.264
60 HB3 CYS 11 HB3 CYS 11 1.437 -7.289 -0.185
61 H SER 12 H SER 12 3.502 -8.308 -1.376
62 HA SER 12 HA SER 12 5.103 -9.485 0.693
63 HB2 SER 12 HB2 SER 12 3.832 -10.796 -0.972
64 HB3 SER 12 HB3 SER 12 4.866 -10.164 -2.264
65 HG SER 12 HG SER 12 5.606 -12.171 -1.644
66 H GLU 13 H GLU 13 5.995 -7.863 -2.411
67 HA GLU 13 HA GLU 13 8.768 -8.281 -2.155
68 HB2 GLU 13 HB2 GLU 13 7.213 -6.001 -3.407
69 HB3 GLU 13 HB3 GLU 13 8.961 -6.188 -3.561
70 HG2 GLU 13 HG2 GLU 13 8.622 -8.386 -4.643
71 HG3 GLU 13 HG3 GLU 13 6.873 -8.157 -4.544
72 H HIS 14 H HIS 14 6.670 -5.677 -0.916
73 HA HIS 14 HA HIS 14 8.725 -4.075 0.233
74 HB2 HIS 14 HB2 HIS 14 6.637 -3.053 0.097
75 HB3 HIS 14 HB3 HIS 14 5.782 -4.475 0.694
76 HD1 HIS 14 HD1 HIS 14 8.259 -1.909 2.150
77 HD2 HIS 14 HD2 HIS 14 4.976 -4.246 3.215
78 HE1 HIS 14 HE1 HIS 14 7.678 -1.317 4.538
79 H CYS 15 H CYS 15 6.790 -6.760 1.657
80 HA CYS 15 HA CYS 15 8.075 -6.612 4.212
81 HB2 CYS 15 HB2 CYS 15 6.526 -8.726 2.745
82 HB3 CYS 15 HB3 CYS 15 7.319 -9.094 4.287
83 H ARG 16 H ARG 16 8.856 -8.554 1.282
84 HA ARG 16 HA ARG 16 11.004 -9.995 2.530
85 HB2 ARG 16 HB2 ARG 16 10.502 -9.192 -0.356
86 HB3 ARG 16 HB3 ARG 16 11.820 -10.261 0.150
87 HG2 ARG 16 HG2 ARG 16 10.295 -11.931 0.936
88 HG3 ARG 16 HG3 ARG 16 8.916 -10.844 0.788
89 HD2 ARG 16 HD2 ARG 16 8.885 -12.396 -1.066
90 HD3 ARG 16 HD3 ARG 16 9.250 -10.775 -1.676
91 HE ARG 16 HE ARG 16 11.409 -11.450 -2.232
92 HH11 ARG 16 HH11 ARG 16 9.824 -14.070 -0.455
93 HH12 ARG 16 HH12 ARG 16 11.082 -15.211 -0.858
94 HH21 ARG 16 HH21 ARG 16 12.953 -12.968 -2.704
95 HH22 ARG 16 HH22 ARG 16 12.819 -14.591 -2.096
96 H ALA 17 H ALA 17 10.883 -6.773 1.005
97 HA ALA 17 HA ALA 17 13.697 -6.345 0.993
98 HB1 ALA 17 HB1 ALA 17 13.138 -3.977 0.713
99 HB2 ALA 17 HB2 ALA 17 12.058 -4.977 -0.289
100 HB3 ALA 17 HB3 ALA 17 11.468 -4.286 1.244
101 H LEU 18 H LEU 18 11.283 -6.096 3.550
102 HA LEU 18 HA LEU 18 12.975 -4.547 5.338
103 HB2 LEU 18 HB2 LEU 18 10.514 -6.245 5.831
104 HB3 LEU 18 HB3 LEU 18 11.312 -5.298 7.074
105 HG LEU 18 HG LEU 18 10.037 -4.110 4.598
106 HD11 LEU 18 HD11 LEU 18 9.039 -4.303 7.468
107 HD12 LEU 18 HD12 LEU 18 8.375 -5.175 6.066
108 HD13 LEU 18 HD13 LEU 18 8.245 -3.408 6.156
109 HD21 LEU 18 HD21 LEU 18 10.217 -1.977 5.864
110 HD22 LEU 18 HD22 LEU 18 11.800 -2.673 5.481
111 HD23 LEU 18 HD23 LEU 18 11.143 -2.832 7.129
112 H GLY 19 H GLY 19 13.055 -7.824 4.342
113 HA2 GLY 19 HA2 GLY 19 15.281 -8.451 5.892
114 HA3 GLY 19 HA3 GLY 19 13.884 -8.962 6.862
115 H GLY 20 H GLY 20 16.145 -10.279 5.019
116 HA2 GLY 20 HA2 GLY 20 14.703 -11.710 3.020
117 HA3 GLY 20 HA3 GLY 20 16.272 -12.153 3.700
118 H GLY 21 H GLY 21 14.769 -12.141 6.404
119 HA2 GLY 21 HA2 GLY 21 14.194 -14.977 6.437
120 HA3 GLY 21 HA3 GLY 21 13.904 -13.830 7.765
121 H ARG 22 H ARG 22 12.339 -12.053 5.863
122 HA ARG 22 HA ARG 22 9.805 -13.330 6.241
123 HB2 ARG 22 HB2 ARG 22 10.551 -10.695 4.955
124 HB3 ARG 22 HB3 ARG 22 8.895 -11.263 5.211
125 HG2 ARG 22 HG2 ARG 22 9.097 -11.101 7.574
126 HG3 ARG 22 HG3 ARG 22 10.858 -10.922 7.492
127 HD2 ARG 22 HD2 ARG 22 10.625 -8.737 6.426
128 HD3 ARG 22 HD3 ARG 22 8.867 -8.930 6.397
129 HE ARG 22 HE ARG 22 8.753 -8.532 8.691
130 HH11 ARG 22 HH11 ARG 22 12.114 -8.490 7.662
131 HH12 ARG 22 HH12 ARG 22 12.654 -7.730 9.131
132 HH21 ARG 22 HH21 ARG 22 9.512 -7.577 10.550
133 HH22 ARG 22 HH22 ARG 22 11.210 -7.238 10.741
134 H THR 23 H THR 23 8.838 -14.558 4.757
135 HA THR 23 HA THR 23 10.237 -14.864 2.178
136 HB THR 23 HB THR 23 8.628 -16.816 1.935
137 HG1 THR 23 HG1 THR 23 7.943 -17.101 4.454
138 HG21 THR 23 HG21 THR 23 9.721 -18.201 3.634
139 HG22 THR 23 HG22 THR 23 10.254 -16.757 4.515
140 HG23 THR 23 HG23 THR 23 10.909 -17.108 2.893
141 H GLY 24 H GLY 24 7.524 -13.280 3.527
142 HA2 GLY 24 HA2 GLY 24 6.902 -11.939 1.136
143 HA3 GLY 24 HA3 GLY 24 5.779 -13.298 1.302
144 H GLY 25 H GLY 25 3.994 -11.867 1.535
145 HA2 GLY 25 HA2 GLY 25 3.466 -11.197 4.271
146 HA3 GLY 25 HA3 GLY 25 3.776 -9.735 3.311
147 H TYR 26 H TYR 26 1.388 -10.060 4.507
148 HA TYR 26 HA TYR 26 -0.478 -10.552 2.215
149 HB2 TYR 26 HB2 TYR 26 -1.016 -11.226 5.127
150 HB3 TYR 26 HB3 TYR 26 -2.103 -11.509 3.758
151 HD1 TYR 26 HD2 TYR 26 -0.968 -13.019 1.797
152 HD2 TYR 26 HD1 TYR 26 0.214 -13.036 5.939
153 HE1 TYR 26 HE2 TYR 26 0.049 -15.275 1.501
154 HE2 TYR 26 HE1 TYR 26 1.226 -15.299 5.630
155 HH TYR 26 HH TYR 26 1.717 -16.970 4.178
156 H CYS 27 H CYS 27 -2.637 -9.372 2.742
157 HA CYS 27 HA CYS 27 -1.921 -6.778 4.020
158 HB2 CYS 27 HB2 CYS 27 -4.040 -7.331 1.930
159 HB3 CYS 27 HB3 CYS 27 -3.493 -5.748 2.510
160 H ALA 28 H ALA 28 -3.277 -5.827 5.453
161 HA ALA 28 HA ALA 28 -5.882 -7.087 6.114
162 HB1 ALA 28 HB1 ALA 28 -5.315 -7.135 8.531
163 HB2 ALA 28 HB2 ALA 28 -4.202 -8.182 7.632
164 HB3 ALA 28 HB3 ALA 28 -3.660 -6.576 8.172
165 H GLY 29 H GLY 29 -6.716 -5.376 8.102
166 HA2 GLY 29 HA2 GLY 29 -5.567 -2.759 7.820
167 HA3 GLY 29 HA3 GLY 29 -7.006 -2.923 6.796
168 HA PRO 30 HA PRO 30 -8.248 -1.541 11.123
169 HB2 PRO 30 HB2 PRO 30 -9.557 0.625 9.545
170 HB3 PRO 30 HB3 PRO 30 -8.520 0.755 10.992
171 HG2 PRO 30 HG2 PRO 30 -7.645 1.520 8.620
172 HG3 PRO 30 HG3 PRO 30 -6.572 0.610 9.738
173 HD2 PRO 30 HD2 PRO 30 -8.195 -0.434 7.407
174 HD3 PRO 30 HD3 PRO 30 -6.449 -0.669 7.783
175 H TRP 31 H TRP 31 -10.461 -0.796 11.820
176 HA TRP 31 HA TRP 31 -12.531 -2.606 11.042
177 HB2 TRP 31 HB2 TRP 31 -12.827 0.072 12.446
178 HB3 TRP 31 HB3 TRP 31 -13.938 -1.297 12.520
179 HD1 TRP 31 HD1 TRP 31 -10.894 0.130 14.197
180 HE1 TRP 31 HE1 TRP 31 -10.099 -1.342 16.108
181 HE3 TRP 31 HE3 TRP 31 -13.784 -3.960 13.171
182 HZ2 TRP 31 HZ2 TRP 31 -10.659 -3.955 17.105
183 HZ3 TRP 31 HZ3 TRP 31 -13.608 -5.960 14.676
184 HH2 TRP 31 HH2 TRP 31 -12.057 -5.940 16.623
185 H TYR 32 H TYR 32 -11.393 -0.049 9.241
186 HA TYR 32 HA TYR 32 -13.903 0.244 7.757
187 HB2 TYR 32 HB2 TYR 32 -13.877 2.673 7.820
188 HB3 TYR 32 HB3 TYR 32 -14.001 2.062 9.470
189 HD1 TYR 32 HD2 TYR 32 -11.767 1.953 10.870
190 HD2 TYR 32 HD1 TYR 32 -12.223 4.265 7.270
191 HE1 TYR 32 HE2 TYR 32 -9.783 3.338 11.495
192 HE2 TYR 32 HE1 TYR 32 -10.239 5.633 7.901
193 HH TYR 32 HH TYR 32 -8.408 5.089 10.897
194 H LEU 33 H LEU 33 -13.386 1.486 5.709
195 HA LEU 33 HA LEU 33 -12.266 1.522 3.725
196 HB2 LEU 33 HB2 LEU 33 -9.725 1.581 5.398
197 HB3 LEU 33 HB3 LEU 33 -9.787 1.810 3.663
198 HG LEU 33 HG LEU 33 -11.184 3.645 5.599
199 HD11 LEU 33 HD11 LEU 33 -8.457 3.927 4.284
200 HD12 LEU 33 HD12 LEU 33 -8.766 3.665 6.022
201 HD13 LEU 33 HD13 LEU 33 -9.288 5.169 5.244
202 HD21 LEU 33 HD21 LEU 33 -12.089 3.721 3.321
203 HD22 LEU 33 HD22 LEU 33 -10.450 3.932 2.657
204 HD23 LEU 33 HD23 LEU 33 -11.180 5.200 3.668
205 H GLY 34 H GLY 34 -9.779 0.146 3.052
206 HA2 GLY 34 HA2 GLY 34 -10.942 -2.591 3.053
207 HA3 GLY 34 HA3 GLY 34 -9.797 -1.928 1.872
208 H HIS 35 H HIS 35 -7.894 -2.881 1.974
209 HA HIS 35 HA HIS 35 -6.835 -3.644 4.648
210 HB2 HIS 35 HB2 HIS 35 -6.443 -5.123 2.027
211 HB3 HIS 35 HB3 HIS 35 -5.779 -5.582 3.600
212 HD1 HIS 35 HD1 HIS 35 -8.879 -5.855 1.524
213 HD2 HIS 35 HD2 HIS 35 -7.714 -6.512 5.469
214 HE1 HIS 35 HE1 HIS 35 -10.689 -7.243 2.602
215 HA PRO 36 HA PRO 36 -3.775 -0.967 2.338
216 HB2 PRO 36 HB2 PRO 36 -3.827 0.746 4.784
217 HB3 PRO 36 HB3 PRO 36 -3.981 1.229 3.064
218 HG2 PRO 36 HG2 PRO 36 -6.070 1.328 4.702
219 HG3 PRO 36 HG3 PRO 36 -6.256 0.731 3.023
220 HD2 PRO 36 HD2 PRO 36 -5.908 -0.870 5.563
221 HD3 PRO 36 HD3 PRO 36 -7.162 -1.015 4.279
222 H THR 37 H THR 37 -3.858 -2.411 5.508
223 HA THR 37 HA THR 37 -1.116 -1.663 6.199
224 HB THR 37 HB THR 37 -3.194 -3.458 7.570
225 HG1 THR 37 HG1 THR 37 -3.141 -1.615 9.034
226 HG21 THR 37 HG21 THR 37 -0.994 -4.203 8.295
227 HG22 THR 37 HG22 THR 37 -1.698 -3.200 9.575
228 HG23 THR 37 HG23 THR 37 -0.447 -2.514 8.516
229 H CYS 38 H CYS 38 0.609 -2.731 5.466
230 HA CYS 38 HA CYS 38 0.345 -5.493 4.480
231 HB2 CYS 38 HB2 CYS 38 2.567 -3.454 4.625
232 HB3 CYS 38 HB3 CYS 38 2.953 -5.169 4.432
233 H THR 39 H THR 39 0.839 -7.272 5.592
234 HA THR 39 HA THR 39 2.167 -6.992 8.232
235 HB THR 39 HB THR 39 -0.120 -8.879 7.552
236 HG1 THR 39 HG1 THR 39 -0.749 -6.669 7.783
237 HG21 THR 39 HG21 THR 39 1.289 -8.254 10.181
238 HG22 THR 39 HG22 THR 39 1.408 -9.781 9.266
239 HG23 THR 39 HG23 THR 39 -0.140 -9.297 9.998
240 H CYS 40 H CYS 40 3.888 -8.478 8.401
241 HA CYS 40 HA CYS 40 4.429 -9.758 5.799
242 HB2 CYS 40 HB2 CYS 40 6.260 -9.232 8.148
243 HB3 CYS 40 HB3 CYS 40 6.740 -9.814 6.545
244 H SER 41 H SER 41 5.332 -11.783 5.533
245 HA SER 41 HA SER 41 4.587 -13.723 7.688
246 HB2 SER 41 HB2 SER 41 3.161 -13.681 5.568
247 HB3 SER 41 HB3 SER 41 4.606 -14.191 4.679
248 HG SER 41 HG SER 41 4.652 -16.095 5.909
249 H PHE 42 H PHE 42 5.910 -15.590 7.790
250 HA PHE 42 HA PHE 42 8.615 -15.373 6.536
251 HB2 PHE 42 HB2 PHE 42 7.847 -16.384 9.312
252 HB3 PHE 42 HB3 PHE 42 9.460 -16.504 8.592
253 HD1 PHE 42 HD2 PHE 42 6.895 -14.068 9.827
254 HD2 PHE 42 HD1 PHE 42 11.019 -14.705 8.754
255 HE1 PHE 42 HE2 PHE 42 7.488 -11.850 10.785
256 HE2 PHE 42 HE1 PHE 42 11.622 -12.491 9.721
257 HZ PHE 42 HZ PHE 42 9.853 -11.054 10.743
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -1.355 1.197 2.118
2 H2 GLY 1 H2 GLY 1 -1.559 -0.181 1.238
3 HA2 GLY 1 HA2 GLY 1 -0.361 1.436 -0.032
4 HA3 GLY 1 HA3 GLY 1 0.848 1.499 1.265
5 H PHE 2 H PHE 2 2.146 0.937 -0.854
6 HA PHE 2 HA PHE 2 3.388 -0.588 -2.009
7 HB2 PHE 2 HB2 PHE 2 2.891 -2.407 0.361
8 HB3 PHE 2 HB3 PHE 2 4.223 -2.489 -0.792
9 HD1 PHE 2 HD2 PHE 2 5.788 -0.409 -0.940
10 HD2 PHE 2 HD1 PHE 2 3.114 -1.169 2.347
11 HE1 PHE 2 HE2 PHE 2 7.115 1.141 0.491
12 HE2 PHE 2 HE1 PHE 2 4.430 0.381 3.789
13 HZ PHE 2 HZ PHE 2 6.436 1.542 2.864
14 H GLY 3 H GLY 3 0.884 -0.498 -2.997
15 HA2 GLY 3 HA2 GLY 3 -0.136 -1.725 -4.694
16 HA3 GLY 3 HA3 GLY 3 0.608 -3.208 -4.073
17 H CYS 4 H CYS 4 -0.418 -2.428 -1.286
18 HA CYS 4 HA CYS 4 -3.063 -3.647 -1.782
19 HB2 CYS 4 HB2 CYS 4 -0.993 -4.046 0.158
20 HB3 CYS 4 HB3 CYS 4 -2.522 -3.672 0.979
21 HA PRO 5 HA PRO 5 -5.039 -4.065 -0.681
22 HB2 PRO 5 HB2 PRO 5 -7.576 -3.255 -1.177
23 HB3 PRO 5 HB3 PRO 5 -6.892 -3.261 0.479
24 HG2 PRO 5 HG2 PRO 5 -7.148 -0.980 -1.456
25 HG3 PRO 5 HG3 PRO 5 -7.617 -1.053 0.270
26 HD2 PRO 5 HD2 PRO 5 -5.261 0.033 -0.575
27 HD3 PRO 5 HD3 PRO 5 -5.427 -0.822 0.993
28 H GLY 6 H GLY 6 -5.410 -5.214 -2.569
29 HA2 GLY 6 HA2 GLY 6 -6.473 -4.888 -4.903
30 HA3 GLY 6 HA3 GLY 6 -5.209 -3.659 -5.095
31 H ASP 7 H ASP 7 -2.942 -4.503 -4.389
32 HA ASP 7 HA ASP 7 -2.586 -7.228 -5.593
33 HB2 ASP 7 HB2 ASP 7 -1.705 -5.502 -7.059
34 HB3 ASP 7 HB3 ASP 7 -0.801 -4.786 -5.711
35 H ALA 8 H ALA 8 -1.701 -8.713 -4.375
36 HA ALA 8 HA ALA 8 -0.531 -7.967 -1.787
37 HB1 ALA 8 HB1 ALA 8 -0.562 -10.393 -1.351
38 HB2 ALA 8 HB2 ALA 8 -2.155 -9.822 -1.907
39 HB3 ALA 8 HB3 ALA 8 -1.079 -10.696 -3.028
40 H TYR 9 H TYR 9 0.604 -8.661 -5.010
41 HA TYR 9 HA TYR 9 3.011 -10.053 -4.250
42 HB2 TYR 9 HB2 TYR 9 2.162 -10.201 -6.517
43 HB3 TYR 9 HB3 TYR 9 2.348 -8.456 -6.739
44 HD1 TYR 9 HD1 TYR 9 4.303 -11.595 -6.079
45 HD2 TYR 9 HD2 TYR 9 4.413 -7.518 -7.453
46 HE1 TYR 9 HE1 TYR 9 6.687 -11.883 -6.780
47 HE2 TYR 9 HE2 TYR 9 6.778 -7.816 -8.146
48 HH TYR 9 HH TYR 9 8.629 -9.140 -7.951
49 H GLN 10 H GLN 10 2.423 -6.567 -5.082
50 HA GLN 10 HA GLN 10 5.140 -5.843 -4.528
51 HB2 GLN 10 HB2 GLN 10 3.453 -4.497 -5.807
52 HB3 GLN 10 HB3 GLN 10 2.687 -4.078 -4.271
53 HG2 GLN 10 HG2 GLN 10 4.764 -2.996 -3.516
54 HG3 GLN 10 HG3 GLN 10 5.573 -3.486 -5.012
55 HE21 GLN 10 HE21 GLN 10 4.984 -2.508 -6.980
56 HE22 GLN 10 HE22 GLN 10 4.182 -0.952 -6.996
57 H CYS 11 H CYS 11 2.317 -6.266 -2.451
58 HA CYS 11 HA CYS 11 3.406 -5.057 -0.085
59 HB2 CYS 11 HB2 CYS 11 1.012 -5.704 -0.428
60 HB3 CYS 11 HB3 CYS 11 1.485 -7.403 -0.341
61 H SER 12 H SER 12 3.560 -8.340 -1.485
62 HA SER 12 HA SER 12 5.122 -9.522 0.616
63 HB2 SER 12 HB2 SER 12 3.873 -10.823 -1.089
64 HB3 SER 12 HB3 SER 12 4.955 -10.214 -2.350
65 HG SER 12 HG SER 12 5.620 -12.243 -1.659
66 H GLU 13 H GLU 13 6.082 -7.922 -2.489
67 HA GLU 13 HA GLU 13 8.843 -8.327 -2.171
68 HB2 GLU 13 HB2 GLU 13 7.308 -6.082 -3.490
69 HB3 GLU 13 HB3 GLU 13 9.068 -6.220 -3.550
70 HG2 GLU 13 HG2 GLU 13 8.813 -8.467 -4.591
71 HG3 GLU 13 HG3 GLU 13 7.070 -8.179 -4.676
72 H HIS 14 H HIS 14 6.744 -5.691 -1.000
73 HA HIS 14 HA HIS 14 8.791 -4.089 0.159
74 HB2 HIS 14 HB2 HIS 14 6.680 -3.088 -0.014
75 HB3 HIS 14 HB3 HIS 14 5.846 -4.496 0.640
76 HD1 HIS 14 HD1 HIS 14 8.365 -1.921 2.001
77 HD2 HIS 14 HD2 HIS 14 5.057 -4.165 3.163
78 HE1 HIS 14 HE1 HIS 14 7.821 -1.256 4.379
79 H CYS 15 H CYS 15 6.823 -6.751 1.584
80 HA CYS 15 HA CYS 15 8.087 -6.618 4.147
81 HB2 CYS 15 HB2 CYS 15 6.568 -8.737 2.638
82 HB3 CYS 15 HB3 CYS 15 7.320 -9.093 4.203
83 H ARG 16 H ARG 16 8.870 -8.589 1.241
84 HA ARG 16 HA ARG 16 10.983 -10.066 2.499
85 HB2 ARG 16 HB2 ARG 16 10.470 -9.274 -0.385
86 HB3 ARG 16 HB3 ARG 16 11.772 -10.373 0.101
87 HG2 ARG 16 HG2 ARG 16 10.284 -12.065 0.767
88 HG3 ARG 16 HG3 ARG 16 8.936 -10.937 0.958
89 HD2 ARG 16 HD2 ARG 16 8.516 -12.249 -1.003
90 HD3 ARG 16 HD3 ARG 16 8.889 -10.595 -1.504
91 HE ARG 16 HE ARG 16 10.881 -11.320 -2.482
92 HH11 ARG 16 HH11 ARG 16 9.370 -14.035 -0.771
93 HH12 ARG 16 HH12 ARG 16 10.424 -15.199 -1.535
94 HH21 ARG 16 HH21 ARG 16 12.163 -12.874 -3.407
95 HH22 ARG 16 HH22 ARG 16 11.969 -14.556 -2.991
96 H ALA 17 H ALA 17 10.929 -6.863 0.943
97 HA ALA 17 HA ALA 17 13.750 -6.487 0.924
98 HB1 ALA 17 HB1 ALA 17 13.223 -4.117 0.614
99 HB2 ALA 17 HB2 ALA 17 12.139 -5.118 -0.385
100 HB3 ALA 17 HB3 ALA 17 11.546 -4.397 1.131
101 H LEU 18 H LEU 18 11.319 -6.092 3.474
102 HA LEU 18 HA LEU 18 13.020 -4.539 5.231
103 HB2 LEU 18 HB2 LEU 18 10.636 -6.321 5.820
104 HB3 LEU 18 HB3 LEU 18 11.416 -5.284 7.001
105 HG LEU 18 HG LEU 18 10.039 -4.247 4.512
106 HD11 LEU 18 HD11 LEU 18 9.055 -4.404 7.389
107 HD12 LEU 18 HD12 LEU 18 8.463 -5.390 6.029
108 HD13 LEU 18 HD13 LEU 18 8.206 -3.639 6.028
109 HD21 LEU 18 HD21 LEU 18 10.096 -2.085 5.728
110 HD22 LEU 18 HD22 LEU 18 11.718 -2.698 5.367
111 HD23 LEU 18 HD23 LEU 18 11.063 -2.847 7.014
112 H GLY 19 H GLY 19 13.024 -7.892 4.350
113 HA2 GLY 19 HA2 GLY 19 15.313 -8.480 5.852
114 HA3 GLY 19 HA3 GLY 19 13.934 -8.946 6.866
115 H GLY 20 H GLY 20 16.151 -10.337 5.048
116 HA2 GLY 20 HA2 GLY 20 14.725 -11.794 3.085
117 HA3 GLY 20 HA3 GLY 20 16.274 -12.245 3.797
118 H GLY 21 H GLY 21 14.663 -12.199 6.459
119 HA2 GLY 21 HA2 GLY 21 14.091 -15.043 6.472
120 HA3 GLY 21 HA3 GLY 21 13.791 -13.901 7.801
121 H ARG 22 H ARG 22 12.274 -12.138 5.779
122 HA ARG 22 HA ARG 22 9.730 -13.376 6.213
123 HB2 ARG 22 HB2 ARG 22 10.496 -10.777 4.881
124 HB3 ARG 22 HB3 ARG 22 8.835 -11.316 5.155
125 HG2 ARG 22 HG2 ARG 22 9.062 -11.155 7.519
126 HG3 ARG 22 HG3 ARG 22 10.823 -10.963 7.413
127 HD2 ARG 22 HD2 ARG 22 10.550 -8.800 6.309
128 HD3 ARG 22 HD3 ARG 22 8.794 -8.986 6.355
129 HE ARG 22 HE ARG 22 8.796 -8.610 8.675
130 HH11 ARG 22 HH11 ARG 22 12.073 -8.446 7.424
131 HH12 ARG 22 HH12 ARG 22 12.678 -7.641 8.843
132 HH21 ARG 22 HH21 ARG 22 9.629 -7.608 10.469
133 HH22 ARG 22 HH22 ARG 22 11.320 -7.191 10.541
134 H THR 23 H THR 23 8.704 -14.609 4.772
135 HA THR 23 HA THR 23 10.001 -15.000 2.156
136 HB THR 23 HB THR 23 8.184 -16.792 1.947
137 HG1 THR 23 HG1 THR 23 7.681 -17.040 4.540
138 HG21 THR 23 HG21 THR 23 9.258 -18.304 3.570
139 HG22 THR 23 HG22 THR 23 10.005 -16.921 4.392
140 HG23 THR 23 HG23 THR 23 10.479 -17.325 2.723
141 H GLY 24 H GLY 24 7.418 -13.244 3.546
142 HA2 GLY 24 HA2 GLY 24 6.843 -11.813 1.218
143 HA3 GLY 24 HA3 GLY 24 5.683 -13.147 1.289
144 H GLY 25 H GLY 25 3.904 -11.754 1.598
145 HA2 GLY 25 HA2 GLY 25 3.439 -11.121 4.370
146 HA3 GLY 25 HA3 GLY 25 3.646 -9.665 3.381
147 H TYR 26 H TYR 26 1.308 -10.070 4.656
148 HA TYR 26 HA TYR 26 -0.586 -10.667 2.419
149 HB2 TYR 26 HB2 TYR 26 -0.998 -11.347 5.356
150 HB3 TYR 26 HB3 TYR 26 -2.145 -11.628 4.039
151 HD1 TYR 26 HD2 TYR 26 -0.993 -13.051 1.967
152 HD2 TYR 26 HD1 TYR 26 0.176 -13.226 6.109
153 HE1 TYR 26 HE2 TYR 26 0.020 -15.302 1.597
154 HE2 TYR 26 HE1 TYR 26 1.178 -15.478 5.722
155 HH TYR 26 HH TYR 26 1.659 -17.104 4.207
156 H CYS 27 H CYS 27 -2.704 -9.486 2.896
157 HA CYS 27 HA CYS 27 -2.030 -6.907 4.233
158 HB2 CYS 27 HB2 CYS 27 -4.061 -7.407 2.046
159 HB3 CYS 27 HB3 CYS 27 -3.524 -5.847 2.686
160 H ALA 28 H ALA 28 -3.363 -6.044 5.696
161 HA ALA 28 HA ALA 28 -6.017 -7.283 6.220
162 HB1 ALA 28 HB1 ALA 28 -4.384 -8.398 7.788
163 HB2 ALA 28 HB2 ALA 28 -3.863 -6.796 8.357
164 HB3 ALA 28 HB3 ALA 28 -5.528 -7.354 8.659
165 H GLY 29 H GLY 29 -6.873 -5.573 8.219
166 HA2 GLY 29 HA2 GLY 29 -5.722 -2.968 8.004
167 HA3 GLY 29 HA3 GLY 29 -7.082 -3.116 6.872
168 HA PRO 30 HA PRO 30 -8.709 -1.742 11.089
169 HB2 PRO 30 HB2 PRO 30 -9.812 0.427 9.357
170 HB3 PRO 30 HB3 PRO 30 -8.967 0.559 10.930
171 HG2 PRO 30 HG2 PRO 30 -7.781 1.331 8.706
172 HG3 PRO 30 HG3 PRO 30 -6.868 0.390 9.934
173 HD2 PRO 30 HD2 PRO 30 -8.211 -0.599 7.407
174 HD3 PRO 30 HD3 PRO 30 -6.521 -0.862 7.980
175 H TRP 31 H TRP 31 -10.997 -0.982 11.492
176 HA TRP 31 HA TRP 31 -12.940 -2.798 10.453
177 HB2 TRP 31 HB2 TRP 31 -13.555 -0.133 11.747
178 HB3 TRP 31 HB3 TRP 31 -14.491 -1.631 11.819
179 HD1 TRP 31 HD1 TRP 31 -11.980 0.308 13.735
180 HE1 TRP 31 HE1 TRP 31 -11.074 -0.984 15.731
181 HE3 TRP 31 HE3 TRP 31 -13.770 -4.311 12.450
182 HZ2 TRP 31 HZ2 TRP 31 -11.121 -3.673 16.669
183 HZ3 TRP 31 HZ3 TRP 31 -13.300 -6.244 13.973
184 HH2 TRP 31 HH2 TRP 31 -11.990 -5.914 16.067
185 H TYR 32 H TYR 32 -11.597 -0.250 8.814
186 HA TYR 32 HA TYR 32 -13.998 0.142 7.129
187 HB2 TYR 32 HB2 TYR 32 -13.352 2.587 6.963
188 HB3 TYR 32 HB3 TYR 32 -14.053 2.093 8.506
189 HD1 TYR 32 HD1 TYR 32 -10.831 2.971 6.821
190 HD2 TYR 32 HD2 TYR 32 -12.824 2.280 10.570
191 HE1 TYR 32 HE1 TYR 32 -8.863 3.899 8.036
192 HE2 TYR 32 HE2 TYR 32 -10.846 3.212 11.780
193 HH TYR 32 HH TYR 32 -8.765 4.150 11.586
194 H LEU 33 H LEU 33 -13.391 1.019 5.021
195 HA LEU 33 HA LEU 33 -12.300 0.734 3.040
196 HB2 LEU 33 HB2 LEU 33 -9.730 0.843 4.662
197 HB3 LEU 33 HB3 LEU 33 -9.835 0.917 2.912
198 HG LEU 33 HG LEU 33 -11.063 2.994 4.738
199 HD11 LEU 33 HD11 LEU 33 -8.402 3.030 3.256
200 HD12 LEU 33 HD12 LEU 33 -8.617 2.894 5.020
201 HD13 LEU 33 HD13 LEU 33 -9.109 4.377 4.178
202 HD21 LEU 33 HD21 LEU 33 -12.085 2.932 2.511
203 HD22 LEU 33 HD22 LEU 33 -10.478 2.966 1.746
204 HD23 LEU 33 HD23 LEU 33 -11.063 4.370 2.667
205 H GLY 34 H GLY 34 -9.946 -0.860 2.477
206 HA2 GLY 34 HA2 GLY 34 -11.182 -3.513 3.004
207 HA3 GLY 34 HA3 GLY 34 -10.086 -3.114 1.674
208 H HIS 35 H HIS 35 -7.949 -3.438 1.910
209 HA HIS 35 HA HIS 35 -6.956 -4.107 4.632
210 HB2 HIS 35 HB2 HIS 35 -6.289 -5.561 2.058
211 HB3 HIS 35 HB3 HIS 35 -5.643 -5.906 3.666
212 HD1 HIS 35 HD1 HIS 35 -7.977 -7.335 1.474
213 HD2 HIS 35 HD2 HIS 35 -8.128 -6.286 5.504
214 HE1 HIS 35 HE1 HIS 35 -9.845 -8.682 2.518
215 HA PRO 36 HA PRO 36 -4.188 -1.021 2.481
216 HB2 PRO 36 HB2 PRO 36 -4.464 0.468 5.059
217 HB3 PRO 36 HB3 PRO 36 -4.608 1.076 3.379
218 HG2 PRO 36 HG2 PRO 36 -6.767 0.830 4.908
219 HG3 PRO 36 HG3 PRO 36 -6.822 0.325 3.187
220 HD2 PRO 36 HD2 PRO 36 -6.397 -1.387 5.641
221 HD3 PRO 36 HD3 PRO 36 -7.571 -1.593 4.293
222 H THR 37 H THR 37 -4.097 -2.668 5.566
223 HA THR 37 HA THR 37 -1.367 -1.729 6.165
224 HB THR 37 HB THR 37 -3.320 -3.534 7.696
225 HG1 THR 37 HG1 THR 37 -3.318 -1.588 9.042
226 HG21 THR 37 HG21 THR 37 -1.009 -4.069 8.361
227 HG22 THR 37 HG22 THR 37 -1.781 -3.100 9.632
228 HG23 THR 37 HG23 THR 37 -0.626 -2.333 8.519
229 H CYS 38 H CYS 38 0.321 -2.751 5.295
230 HA CYS 38 HA CYS 38 0.129 -5.572 4.466
231 HB2 CYS 38 HB2 CYS 38 2.247 -3.415 4.364
232 HB3 CYS 38 HB3 CYS 38 2.719 -5.109 4.225
233 H THR 39 H THR 39 0.739 -7.257 5.674
234 HA THR 39 HA THR 39 2.264 -6.759 8.167
235 HB THR 39 HB THR 39 -0.070 -8.693 7.840
236 HG1 THR 39 HG1 THR 39 -0.674 -6.455 7.913
237 HG21 THR 39 HG21 THR 39 1.523 -7.840 10.293
238 HG22 THR 39 HG22 THR 39 1.590 -9.441 9.509
239 HG23 THR 39 HG23 THR 39 0.098 -8.902 10.303
240 H CYS 40 H CYS 40 3.973 -8.278 8.364
241 HA CYS 40 HA CYS 40 4.375 -9.702 5.822
242 HB2 CYS 40 HB2 CYS 40 6.310 -9.100 8.064
243 HB3 CYS 40 HB3 CYS 40 6.719 -9.745 6.468
244 H SER 41 H SER 41 5.211 -11.746 5.602
245 HA SER 41 HA SER 41 4.542 -13.584 7.873
246 HB2 SER 41 HB2 SER 41 3.034 -13.657 5.826
247 HB3 SER 41 HB3 SER 41 4.450 -14.182 4.891
248 HG SER 41 HG SER 41 4.581 -16.031 6.201
249 H PHE 42 H PHE 42 5.822 -15.493 7.969
250 HA PHE 42 HA PHE 42 8.505 -15.310 6.664
251 HB2 PHE 42 HB2 PHE 42 7.795 -16.316 9.455
252 HB3 PHE 42 HB3 PHE 42 9.401 -16.378 8.717
253 HD1 PHE 42 HD2 PHE 42 6.770 -14.068 10.043
254 HD2 PHE 42 HD1 PHE 42 10.870 -14.476 8.797
255 HE1 PHE 42 HE2 PHE 42 7.272 -11.825 10.987
256 HE2 PHE 42 HE1 PHE 42 11.393 -12.239 9.763
257 HZ PHE 42 HZ PHE 42 9.593 -10.904 10.854
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -1.413 1.343 1.910
2 H2 GLY 1 H2 GLY 1 -1.677 -0.060 1.084
3 HA2 GLY 1 HA2 GLY 1 -0.362 1.440 -0.225
4 HA3 GLY 1 HA3 GLY 1 0.822 1.479 1.098
5 H PHE 2 H PHE 2 2.161 0.755 -0.918
6 HA PHE 2 HA PHE 2 3.351 -0.885 -1.959
7 HB2 PHE 2 HB2 PHE 2 2.581 -2.687 0.340
8 HB3 PHE 2 HB3 PHE 2 4.051 -2.728 -0.638
9 HD1 PHE 2 HD2 PHE 2 5.516 -0.504 -0.543
10 HD2 PHE 2 HD1 PHE 2 2.609 -1.645 2.417
11 HE1 PHE 2 HE2 PHE 2 6.607 1.014 1.109
12 HE2 PHE 2 HE1 PHE 2 3.696 -0.138 4.072
13 HZ PHE 2 HZ PHE 2 5.692 1.201 3.420
14 H GLY 3 H GLY 3 0.865 -0.633 -3.040
15 HA2 GLY 3 HA2 GLY 3 -0.219 -1.794 -4.733
16 HA3 GLY 3 HA3 GLY 3 0.467 -3.308 -4.134
17 H CYS 4 H CYS 4 -0.594 -2.439 -1.337
18 HA CYS 4 HA CYS 4 -3.260 -3.607 -1.879
19 HB2 CYS 4 HB2 CYS 4 -1.184 -4.188 -0.006
20 HB3 CYS 4 HB3 CYS 4 -2.662 -3.765 0.879
21 HA PRO 5 HA PRO 5 -5.213 -4.095 -0.505
22 HB2 PRO 5 HB2 PRO 5 -7.758 -3.236 -0.978
23 HB3 PRO 5 HB3 PRO 5 -7.038 -3.254 0.662
24 HG2 PRO 5 HG2 PRO 5 -7.263 -0.968 -1.276
25 HG3 PRO 5 HG3 PRO 5 -7.713 -1.026 0.458
26 HD2 PRO 5 HD2 PRO 5 -5.350 0.007 -0.379
27 HD3 PRO 5 HD3 PRO 5 -5.489 -0.916 1.156
28 H GLY 6 H GLY 6 -5.458 -5.311 -2.333
29 HA2 GLY 6 HA2 GLY 6 -6.624 -5.109 -4.658
30 HA3 GLY 6 HA3 GLY 6 -5.386 -3.867 -4.923
31 H ASP 7 H ASP 7 -3.088 -4.620 -4.292
32 HA ASP 7 HA ASP 7 -2.694 -7.359 -5.455
33 HB2 ASP 7 HB2 ASP 7 -1.862 -5.605 -6.918
34 HB3 ASP 7 HB3 ASP 7 -0.970 -4.873 -5.576
35 H ALA 8 H ALA 8 -1.732 -8.837 -4.289
36 HA ALA 8 HA ALA 8 -0.502 -8.089 -1.723
37 HB1 ALA 8 HB1 ALA 8 -0.526 -10.505 -1.270
38 HB2 ALA 8 HB2 ALA 8 -2.135 -9.935 -1.777
39 HB3 ALA 8 HB3 ALA 8 -1.100 -10.822 -2.925
40 H TYR 9 H TYR 9 0.546 -8.718 -4.975
41 HA TYR 9 HA TYR 9 2.962 -10.151 -4.316
42 HB2 TYR 9 HB2 TYR 9 2.075 -10.209 -6.574
43 HB3 TYR 9 HB3 TYR 9 2.228 -8.454 -6.721
44 HD1 TYR 9 HD1 TYR 9 4.226 -11.604 -6.338
45 HD2 TYR 9 HD2 TYR 9 4.280 -7.426 -7.366
46 HE1 TYR 9 HE1 TYR 9 6.590 -11.818 -7.126
47 HE2 TYR 9 HE2 TYR 9 6.627 -7.651 -8.145
48 HH TYR 9 HH TYR 9 8.493 -8.978 -8.104
49 H GLN 10 H GLN 10 2.381 -6.641 -5.046
50 HA GLN 10 HA GLN 10 5.106 -5.936 -4.480
51 HB2 GLN 10 HB2 GLN 10 3.444 -4.561 -5.760
52 HB3 GLN 10 HB3 GLN 10 2.645 -4.176 -4.234
53 HG2 GLN 10 HG2 GLN 10 4.691 -3.089 -3.413
54 HG3 GLN 10 HG3 GLN 10 5.543 -3.555 -4.893
55 HE21 GLN 10 HE21 GLN 10 4.882 -2.610 -6.898
56 HE22 GLN 10 HE22 GLN 10 4.111 -1.039 -6.899
57 H CYS 11 H CYS 11 2.271 -6.408 -2.443
58 HA CYS 11 HA CYS 11 3.285 -5.204 -0.051
59 HB2 CYS 11 HB2 CYS 11 0.917 -5.921 -0.500
60 HB3 CYS 11 HB3 CYS 11 1.441 -7.601 -0.349
61 H SER 12 H SER 12 3.548 -8.469 -1.465
62 HA SER 12 HA SER 12 5.111 -9.615 0.659
63 HB2 SER 12 HB2 SER 12 3.897 -10.946 -1.048
64 HB3 SER 12 HB3 SER 12 4.972 -10.311 -2.304
65 HG SER 12 HG SER 12 5.652 -12.348 -1.586
66 H GLU 13 H GLU 13 6.041 -8.008 -2.443
67 HA GLU 13 HA GLU 13 8.810 -8.366 -2.141
68 HB2 GLU 13 HB2 GLU 13 7.232 -6.130 -3.426
69 HB3 GLU 13 HB3 GLU 13 8.992 -6.240 -3.506
70 HG2 GLU 13 HG2 GLU 13 8.766 -8.470 -4.585
71 HG3 GLU 13 HG3 GLU 13 7.012 -8.230 -4.629
72 H HIS 14 H HIS 14 6.680 -5.762 -0.951
73 HA HIS 14 HA HIS 14 8.713 -4.128 0.187
74 HB2 HIS 14 HB2 HIS 14 6.562 -3.181 0.025
75 HB3 HIS 14 HB3 HIS 14 5.782 -4.585 0.755
76 HD1 HIS 14 HD1 HIS 14 8.345 -1.967 1.953
77 HD2 HIS 14 HD2 HIS 14 5.051 -4.142 3.280
78 HE1 HIS 14 HE1 HIS 14 7.887 -1.229 4.328
79 H CYS 15 H CYS 15 6.778 -6.788 1.665
80 HA CYS 15 HA CYS 15 8.070 -6.597 4.208
81 HB2 CYS 15 HB2 CYS 15 6.559 -8.765 2.770
82 HB3 CYS 15 HB3 CYS 15 7.316 -9.064 4.343
83 H ARG 16 H ARG 16 8.833 -8.616 1.325
84 HA ARG 16 HA ARG 16 10.978 -10.048 2.582
85 HB2 ARG 16 HB2 ARG 16 10.440 -9.287 -0.304
86 HB3 ARG 16 HB3 ARG 16 11.771 -10.352 0.185
87 HG2 ARG 16 HG2 ARG 16 10.325 -12.063 0.878
88 HG3 ARG 16 HG3 ARG 16 8.956 -10.964 1.059
89 HD2 ARG 16 HD2 ARG 16 8.550 -12.305 -0.878
90 HD3 ARG 16 HD3 ARG 16 8.902 -10.656 -1.411
91 HE ARG 16 HE ARG 16 10.898 -11.382 -2.379
92 HH11 ARG 16 HH11 ARG 16 9.436 -14.077 -0.593
93 HH12 ARG 16 HH12 ARG 16 10.494 -15.245 -1.347
94 HH21 ARG 16 HH21 ARG 16 12.199 -12.936 -3.275
95 HH22 ARG 16 HH22 ARG 16 12.028 -14.609 -2.823
96 H ALA 17 H ALA 17 10.895 -6.871 0.957
97 HA ALA 17 HA ALA 17 13.712 -6.468 0.968
98 HB1 ALA 17 HB1 ALA 17 13.164 -4.108 0.597
99 HB2 ALA 17 HB2 ALA 17 12.111 -5.146 -0.396
100 HB3 ALA 17 HB3 ALA 17 11.482 -4.400 1.093
101 H LEU 18 H LEU 18 11.249 -6.020 3.482
102 HA LEU 18 HA LEU 18 12.904 -4.401 5.213
103 HB2 LEU 18 HB2 LEU 18 10.540 -6.208 5.811
104 HB3 LEU 18 HB3 LEU 18 11.311 -5.178 7.001
105 HG LEU 18 HG LEU 18 9.903 -4.147 4.531
106 HD11 LEU 18 HD11 LEU 18 8.999 -4.326 7.431
107 HD12 LEU 18 HD12 LEU 18 8.368 -5.291 6.073
108 HD13 LEU 18 HD13 LEU 18 8.110 -3.540 6.109
109 HD21 LEU 18 HD21 LEU 18 9.975 -1.980 5.746
110 HD22 LEU 18 HD22 LEU 18 11.594 -2.578 5.338
111 HD23 LEU 18 HD23 LEU 18 10.984 -2.739 7.001
112 H GLY 19 H GLY 19 12.963 -7.799 4.457
113 HA2 GLY 19 HA2 GLY 19 15.274 -8.264 5.985
114 HA3 GLY 19 HA3 GLY 19 13.898 -8.740 7.001
115 H GLY 20 H GLY 20 16.178 -10.129 5.289
116 HA2 GLY 20 HA2 GLY 20 14.845 -11.680 3.330
117 HA3 GLY 20 HA3 GLY 20 16.381 -12.071 4.101
118 H GLY 21 H GLY 21 14.677 -11.969 6.705
119 HA2 GLY 21 HA2 GLY 21 14.163 -14.826 6.801
120 HA3 GLY 21 HA3 GLY 21 13.806 -13.643 8.076
121 H ARG 22 H ARG 22 12.323 -11.999 5.906
122 HA ARG 22 HA ARG 22 9.790 -13.230 6.393
123 HB2 ARG 22 HB2 ARG 22 10.551 -10.674 4.984
124 HB3 ARG 22 HB3 ARG 22 8.886 -11.210 5.251
125 HG2 ARG 22 HG2 ARG 22 9.107 -11.029 7.622
126 HG3 ARG 22 HG3 ARG 22 10.862 -10.788 7.511
127 HD2 ARG 22 HD2 ARG 22 10.526 -8.653 6.390
128 HD3 ARG 22 HD3 ARG 22 8.775 -8.896 6.418
129 HE ARG 22 HE ARG 22 8.746 -8.522 8.747
130 HH11 ARG 22 HH11 ARG 22 12.010 -8.174 7.493
131 HH12 ARG 22 HH12 ARG 22 12.572 -7.335 8.911
132 HH21 ARG 22 HH21 ARG 22 9.522 -7.457 10.534
133 HH22 ARG 22 HH22 ARG 22 11.186 -6.948 10.604
134 H THR 23 H THR 23 8.707 -14.487 5.029
135 HA THR 23 HA THR 23 9.950 -15.113 2.451
136 HB THR 23 HB THR 23 7.986 -16.745 2.322
137 HG1 THR 23 HG1 THR 23 7.252 -16.844 4.796
138 HG21 THR 23 HG21 THR 23 8.834 -18.206 4.124
139 HG22 THR 23 HG22 THR 23 9.726 -16.841 4.820
140 HG23 THR 23 HG23 THR 23 10.162 -17.459 3.207
141 H GLY 24 H GLY 24 7.439 -13.135 3.688
142 HA2 GLY 24 HA2 GLY 24 6.945 -11.722 1.345
143 HA3 GLY 24 HA3 GLY 24 5.789 -13.065 1.355
144 H GLY 25 H GLY 25 3.972 -11.693 1.642
145 HA2 GLY 25 HA2 GLY 25 3.415 -11.138 4.404
146 HA3 GLY 25 HA3 GLY 25 3.681 -9.644 3.485
147 H TYR 26 H TYR 26 1.292 -10.113 4.676
148 HA TYR 26 HA TYR 26 -0.518 -10.560 2.334
149 HB2 TYR 26 HB2 TYR 26 -1.039 -11.392 5.216
150 HB3 TYR 26 HB3 TYR 26 -2.145 -11.592 3.850
151 HD1 TYR 26 HD2 TYR 26 -1.239 -13.044 1.825
152 HD2 TYR 26 HD1 TYR 26 0.431 -13.155 5.793
153 HE1 TYR 26 HE2 TYR 26 -0.208 -15.266 1.338
154 HE2 TYR 26 HE1 TYR 26 1.442 -15.382 5.296
155 HH TYR 26 HH TYR 26 1.778 -17.006 3.743
156 H CYS 27 H CYS 27 -2.607 -9.380 2.649
157 HA CYS 27 HA CYS 27 -2.017 -6.796 3.983
158 HB2 CYS 27 HB2 CYS 27 -4.223 -7.459 2.020
159 HB3 CYS 27 HB3 CYS 27 -3.632 -5.854 2.490
160 H ALA 28 H ALA 28 -3.284 -5.900 5.498
161 HA ALA 28 HA ALA 28 -5.903 -7.093 6.196
162 HB1 ALA 28 HB1 ALA 28 -5.277 -7.251 8.603
163 HB2 ALA 28 HB2 ALA 28 -4.228 -8.311 7.640
164 HB3 ALA 28 HB3 ALA 28 -3.612 -6.744 8.216
165 H GLY 29 H GLY 29 -6.602 -5.419 8.263
166 HA2 GLY 29 HA2 GLY 29 -5.357 -2.850 8.085
167 HA3 GLY 29 HA3 GLY 29 -6.800 -2.900 7.052
168 HA PRO 30 HA PRO 30 -7.991 -1.843 11.512
169 HB2 PRO 30 HB2 PRO 30 -9.021 0.612 10.160
170 HB3 PRO 30 HB3 PRO 30 -8.056 0.474 11.661
171 HG2 PRO 30 HG2 PRO 30 -6.971 1.432 9.444
172 HG3 PRO 30 HG3 PRO 30 -6.055 0.278 10.469
173 HD2 PRO 30 HD2 PRO 30 -7.663 -0.284 7.968
174 HD3 PRO 30 HD3 PRO 30 -5.964 -0.742 8.362
175 H TRP 31 H TRP 31 -10.179 -1.024 12.204
176 HA TRP 31 HA TRP 31 -12.333 -2.485 10.983
177 HB2 TRP 31 HB2 TRP 31 -12.288 -0.247 13.043
178 HB3 TRP 31 HB3 TRP 31 -13.744 -1.132 12.572
179 HD1 TRP 31 HD1 TRP 31 -10.853 -1.359 14.925
180 HE1 TRP 31 HE1 TRP 31 -10.860 -3.554 16.211
181 HE3 TRP 31 HE3 TRP 31 -14.392 -3.789 12.142
182 HZ2 TRP 31 HZ2 TRP 31 -12.224 -6.057 16.064
183 HZ3 TRP 31 HZ3 TRP 31 -15.020 -6.126 12.781
184 HH2 TRP 31 HH2 TRP 31 -13.934 -7.243 14.728
185 H TYR 32 H TYR 32 -10.836 0.238 9.838
186 HA TYR 32 HA TYR 32 -13.249 1.078 8.332
187 HB2 TYR 32 HB2 TYR 32 -12.298 3.436 8.430
188 HB3 TYR 32 HB3 TYR 32 -13.031 2.841 9.923
189 HD1 TYR 32 HD1 TYR 32 -9.781 3.635 8.275
190 HD2 TYR 32 HD2 TYR 32 -11.733 2.522 11.945
191 HE1 TYR 32 HE1 TYR 32 -7.702 4.163 9.547
192 HE2 TYR 32 HE2 TYR 32 -9.642 3.046 13.208
193 HH TYR 32 HH TYR 32 -7.487 3.809 13.086
194 H LEU 33 H LEU 33 -12.700 1.924 6.273
195 HA LEU 33 HA LEU 33 -11.705 1.776 4.229
196 HB2 LEU 33 HB2 LEU 33 -9.044 1.480 5.666
197 HB3 LEU 33 HB3 LEU 33 -9.272 1.828 3.961
198 HG LEU 33 HG LEU 33 -10.139 3.692 6.186
199 HD11 LEU 33 HD11 LEU 33 -7.639 3.750 4.453
200 HD12 LEU 33 HD12 LEU 33 -7.698 3.355 6.189
201 HD13 LEU 33 HD13 LEU 33 -8.128 4.986 5.636
202 HD21 LEU 33 HD21 LEU 33 -11.366 4.055 4.091
203 HD22 LEU 33 HD22 LEU 33 -9.838 4.103 3.182
204 HD23 LEU 33 HD23 LEU 33 -10.216 5.373 4.366
205 H GLY 34 H GLY 34 -9.597 0.085 3.316
206 HA2 GLY 34 HA2 GLY 34 -10.994 -2.510 3.702
207 HA3 GLY 34 HA3 GLY 34 -9.979 -2.064 2.325
208 H HIS 35 H HIS 35 -7.961 -2.816 2.276
209 HA HIS 35 HA HIS 35 -6.756 -3.719 4.842
210 HB2 HIS 35 HB2 HIS 35 -6.405 -5.048 2.141
211 HB3 HIS 35 HB3 HIS 35 -5.767 -5.597 3.695
212 HD1 HIS 35 HD1 HIS 35 -8.237 -6.651 1.491
213 HD2 HIS 35 HD2 HIS 35 -8.331 -5.697 5.548
214 HE1 HIS 35 HE1 HIS 35 -10.274 -7.786 2.469
215 HA PRO 36 HA PRO 36 -3.882 -0.865 2.522
216 HB2 PRO 36 HB2 PRO 36 -3.831 0.713 5.053
217 HB3 PRO 36 HB3 PRO 36 -4.075 1.286 3.374
218 HG2 PRO 36 HG2 PRO 36 -6.093 1.270 5.109
219 HG3 PRO 36 HG3 PRO 36 -6.352 0.747 3.412
220 HD2 PRO 36 HD2 PRO 36 -5.854 -0.964 5.853
221 HD3 PRO 36 HD3 PRO 36 -7.164 -1.073 4.628
222 H THR 37 H THR 37 -3.808 -2.436 5.642
223 HA THR 37 HA THR 37 -1.012 -1.726 6.177
224 HB THR 37 HB THR 37 -3.006 -3.490 7.688
225 HG1 THR 37 HG1 THR 37 -2.966 -1.581 9.074
226 HG21 THR 37 HG21 THR 37 -0.707 -4.090 8.312
227 HG22 THR 37 HG22 THR 37 -1.440 -3.132 9.611
228 HG23 THR 37 HG23 THR 37 -0.280 -2.368 8.500
229 H CYS 38 H CYS 38 0.592 -2.831 5.235
230 HA CYS 38 HA CYS 38 0.221 -5.644 4.447
231 HB2 CYS 38 HB2 CYS 38 2.474 -3.632 4.274
232 HB3 CYS 38 HB3 CYS 38 2.806 -5.363 4.108
233 H THR 39 H THR 39 0.657 -7.309 5.725
234 HA THR 39 HA THR 39 2.176 -6.834 8.228
235 HB THR 39 HB THR 39 -0.129 -8.778 7.805
236 HG1 THR 39 HG1 THR 39 -0.794 -6.579 7.817
237 HG21 THR 39 HG21 THR 39 1.343 -7.881 10.317
238 HG22 THR 39 HG22 THR 39 1.459 -9.489 9.552
239 HG23 THR 39 HG23 THR 39 -0.073 -8.952 10.276
240 H CYS 40 H CYS 40 3.903 -8.295 8.438
241 HA CYS 40 HA CYS 40 4.385 -9.700 5.902
242 HB2 CYS 40 HB2 CYS 40 6.257 -9.049 8.188
243 HB3 CYS 40 HB3 CYS 40 6.720 -9.697 6.606
244 H SER 41 H SER 41 5.224 -11.707 5.661
245 HA SER 41 HA SER 41 4.526 -13.610 7.861
246 HB2 SER 41 HB2 SER 41 3.181 -13.682 5.711
247 HB3 SER 41 HB3 SER 41 4.681 -14.090 4.857
248 HG SER 41 HG SER 41 4.833 -15.984 6.127
249 H PHE 42 H PHE 42 5.917 -15.432 8.063
250 HA PHE 42 HA PHE 42 8.671 -15.115 6.946
251 HB2 PHE 42 HB2 PHE 42 7.837 -16.022 9.735
252 HB3 PHE 42 HB3 PHE 42 9.481 -16.077 9.089
253 HD1 PHE 42 HD2 PHE 42 6.744 -13.774 10.167
254 HD2 PHE 42 HD1 PHE 42 10.898 -14.134 9.091
255 HE1 PHE 42 HE2 PHE 42 7.152 -11.468 11.013
256 HE2 PHE 42 HE1 PHE 42 11.325 -11.837 9.968
257 HZ PHE 42 HZ PHE 42 9.452 -10.498 10.927
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -1.412 1.334 2.203
2 H2 GLY 1 H2 GLY 1 -1.661 0.027 1.227
3 HA2 GLY 1 HA2 GLY 1 -0.255 1.583 0.120
4 HA3 GLY 1 HA3 GLY 1 0.853 1.517 1.509
5 H PHE 2 H PHE 2 2.207 0.951 -0.602
6 HA PHE 2 HA PHE 2 3.441 -0.609 -1.722
7 HB2 PHE 2 HB2 PHE 2 2.704 -2.542 0.482
8 HB3 PHE 2 HB3 PHE 2 4.168 -2.516 -0.504
9 HD1 PHE 2 HD2 PHE 2 5.648 -0.338 -0.290
10 HD2 PHE 2 HD1 PHE 2 2.689 -1.556 2.586
11 HE1 PHE 2 HE2 PHE 2 6.730 1.110 1.427
12 HE2 PHE 2 HE1 PHE 2 3.773 -0.130 4.316
13 HZ PHE 2 HZ PHE 2 5.793 1.217 3.736
14 H GLY 3 H GLY 3 0.966 -0.319 -2.784
15 HA2 GLY 3 HA2 GLY 3 -0.097 -1.392 -4.550
16 HA3 GLY 3 HA3 GLY 3 0.573 -2.937 -4.008
17 H CYS 4 H CYS 4 -0.408 -2.305 -1.208
18 HA CYS 4 HA CYS 4 -3.094 -3.385 -1.687
19 HB2 CYS 4 HB2 CYS 4 -1.106 -3.517 0.488
20 HB3 CYS 4 HB3 CYS 4 -2.805 -3.460 1.007
21 HA PRO 5 HA PRO 5 -5.027 -3.725 -0.073
22 HB2 PRO 5 HB2 PRO 5 -7.597 -2.978 -0.617
23 HB3 PRO 5 HB3 PRO 5 -6.830 -2.724 0.978
24 HG2 PRO 5 HG2 PRO 5 -7.140 -0.775 -1.292
25 HG3 PRO 5 HG3 PRO 5 -7.541 -0.564 0.442
26 HD2 PRO 5 HD2 PRO 5 -5.213 0.344 -0.598
27 HD3 PRO 5 HD3 PRO 5 -5.294 -0.345 1.058
28 H GLY 6 H GLY 6 -4.798 -5.146 -1.701
29 HA2 GLY 6 HA2 GLY 6 -6.227 -5.673 -3.832
30 HA3 GLY 6 HA3 GLY 6 -5.355 -4.265 -4.470
31 H ASP 7 H ASP 7 -2.891 -4.376 -4.112
32 HA ASP 7 HA ASP 7 -2.103 -6.933 -5.359
33 HB2 ASP 7 HB2 ASP 7 -1.507 -4.736 -6.355
34 HB3 ASP 7 HB3 ASP 7 -0.488 -4.413 -4.950
35 H ALA 8 H ALA 8 -1.977 -8.431 -3.760
36 HA ALA 8 HA ALA 8 -0.491 -8.037 -1.323
37 HB1 ALA 8 HB1 ALA 8 -0.754 -10.485 -1.057
38 HB2 ALA 8 HB2 ALA 8 -2.290 -9.710 -1.520
39 HB3 ALA 8 HB3 ALA 8 -1.346 -10.607 -2.735
40 H TYR 9 H TYR 9 0.518 -8.777 -4.616
41 HA TYR 9 HA TYR 9 2.915 -10.232 -3.807
42 HB2 TYR 9 HB2 TYR 9 1.943 -10.529 -6.051
43 HB3 TYR 9 HB3 TYR 9 2.252 -8.824 -6.419
44 HD1 TYR 9 HD1 TYR 9 3.947 -12.077 -5.631
45 HD2 TYR 9 HD2 TYR 9 4.413 -8.065 -7.132
46 HE1 TYR 9 HE1 TYR 9 6.275 -12.608 -6.360
47 HE2 TYR 9 HE2 TYR 9 6.720 -8.612 -7.862
48 HH TYR 9 HH TYR 9 8.387 -10.126 -7.854
49 H GLN 10 H GLN 10 2.193 -6.838 -4.785
50 HA GLN 10 HA GLN 10 4.908 -5.964 -4.468
51 HB2 GLN 10 HB2 GLN 10 3.063 -4.755 -5.645
52 HB3 GLN 10 HB3 GLN 10 2.381 -4.334 -4.077
53 HG2 GLN 10 HG2 GLN 10 4.492 -3.139 -3.516
54 HG3 GLN 10 HG3 GLN 10 5.122 -3.552 -5.123
55 HE21 GLN 10 HE21 GLN 10 3.104 -3.075 -6.819
56 HE22 GLN 10 HE22 GLN 10 2.613 -1.401 -6.737
57 H CYS 11 H CYS 11 2.215 -6.382 -2.200
58 HA CYS 11 HA CYS 11 3.436 -5.145 0.075
59 HB2 CYS 11 HB2 CYS 11 1.041 -5.879 -0.129
60 HB3 CYS 11 HB3 CYS 11 1.587 -7.556 0.005
61 H SER 12 H SER 12 3.565 -8.461 -1.254
62 HA SER 12 HA SER 12 5.232 -9.587 0.777
63 HB2 SER 12 HB2 SER 12 3.958 -10.926 -0.876
64 HB3 SER 12 HB3 SER 12 4.983 -10.289 -2.175
65 HG SER 12 HG SER 12 5.722 -12.306 -1.510
66 H GLU 13 H GLU 13 6.060 -7.981 -2.354
67 HA GLU 13 HA GLU 13 8.836 -8.354 -2.140
68 HB2 GLU 13 HB2 GLU 13 7.225 -6.134 -3.409
69 HB3 GLU 13 HB3 GLU 13 8.978 -6.283 -3.577
70 HG2 GLU 13 HG2 GLU 13 8.687 -8.509 -4.596
71 HG3 GLU 13 HG3 GLU 13 6.931 -8.319 -4.482
72 H HIS 14 H HIS 14 6.745 -5.740 -0.912
73 HA HIS 14 HA HIS 14 8.824 -4.110 0.168
74 HB2 HIS 14 HB2 HIS 14 6.711 -3.113 0.045
75 HB3 HIS 14 HB3 HIS 14 5.897 -4.510 0.748
76 HD1 HIS 14 HD1 HIS 14 8.484 -1.938 1.987
77 HD2 HIS 14 HD2 HIS 14 5.185 -4.121 3.289
78 HE1 HIS 14 HE1 HIS 14 8.034 -1.238 4.376
79 H CYS 15 H CYS 15 6.899 -6.759 1.673
80 HA CYS 15 HA CYS 15 8.193 -6.583 4.214
81 HB2 CYS 15 HB2 CYS 15 6.731 -8.783 2.755
82 HB3 CYS 15 HB3 CYS 15 7.435 -9.035 4.360
83 H ARG 16 H ARG 16 8.968 -8.564 1.324
84 HA ARG 16 HA ARG 16 11.107 -10.019 2.559
85 HB2 ARG 16 HB2 ARG 16 10.543 -9.218 -0.309
86 HB3 ARG 16 HB3 ARG 16 11.886 -10.278 0.147
87 HG2 ARG 16 HG2 ARG 16 10.470 -12.020 0.800
88 HG3 ARG 16 HG3 ARG 16 9.093 -10.944 1.062
89 HD2 ARG 16 HD2 ARG 16 8.690 -12.242 -0.934
90 HD3 ARG 16 HD3 ARG 16 8.929 -10.547 -1.375
91 HE ARG 16 HE ARG 16 10.900 -11.088 -2.473
92 HH11 ARG 16 HH11 ARG 16 9.751 -13.941 -0.726
93 HH12 ARG 16 HH12 ARG 16 10.868 -14.999 -1.553
94 HH21 ARG 16 HH21 ARG 16 12.275 -12.490 -3.486
95 HH22 ARG 16 HH22 ARG 16 12.271 -14.187 -3.091
96 H ALA 17 H ALA 17 11.024 -6.827 0.968
97 HA ALA 17 HA ALA 17 13.848 -6.435 0.946
98 HB1 ALA 17 HB1 ALA 17 13.307 -4.072 0.594
99 HB2 ALA 17 HB2 ALA 17 12.231 -5.098 -0.387
100 HB3 ALA 17 HB3 ALA 17 11.632 -4.354 1.113
101 H LEU 18 H LEU 18 11.427 -6.012 3.506
102 HA LEU 18 HA LEU 18 13.109 -4.390 5.215
103 HB2 LEU 18 HB2 LEU 18 10.776 -6.217 5.856
104 HB3 LEU 18 HB3 LEU 18 11.542 -5.139 7.011
105 HG LEU 18 HG LEU 18 10.080 -4.205 4.533
106 HD11 LEU 18 HD11 LEU 18 9.203 -4.315 7.445
107 HD12 LEU 18 HD12 LEU 18 8.586 -5.345 6.126
108 HD13 LEU 18 HD13 LEU 18 8.282 -3.600 6.105
109 HD21 LEU 18 HD21 LEU 18 10.118 -2.005 5.691
110 HD22 LEU 18 HD22 LEU 18 11.738 -2.585 5.275
111 HD23 LEU 18 HD23 LEU 18 11.159 -2.713 6.948
112 H GLY 19 H GLY 19 13.147 -7.789 4.442
113 HA2 GLY 19 HA2 GLY 19 15.463 -8.289 5.936
114 HA3 GLY 19 HA3 GLY 19 14.100 -8.703 6.995
115 H GLY 20 H GLY 20 16.299 -10.209 5.288
116 HA2 GLY 20 HA2 GLY 20 14.896 -11.753 3.381
117 HA3 GLY 20 HA3 GLY 20 16.422 -12.187 4.151
118 H GLY 21 H GLY 21 14.763 -12.000 6.781
119 HA2 GLY 21 HA2 GLY 21 14.167 -14.840 6.894
120 HA3 GLY 21 HA3 GLY 21 13.849 -13.640 8.165
121 H ARG 22 H ARG 22 12.362 -11.962 6.042
122 HA ARG 22 HA ARG 22 9.812 -13.192 6.481
123 HB2 ARG 22 HB2 ARG 22 10.591 -10.619 5.103
124 HB3 ARG 22 HB3 ARG 22 8.929 -11.158 5.377
125 HG2 ARG 22 HG2 ARG 22 9.124 -10.914 7.730
126 HG3 ARG 22 HG3 ARG 22 10.890 -10.764 7.648
127 HD2 ARG 22 HD2 ARG 22 10.656 -8.643 6.434
128 HD3 ARG 22 HD3 ARG 22 8.900 -8.786 6.515
129 HE ARG 22 HE ARG 22 8.954 -8.335 8.831
130 HH11 ARG 22 HH11 ARG 22 12.197 -8.241 7.494
131 HH12 ARG 22 HH12 ARG 22 12.845 -7.392 8.873
132 HH21 ARG 22 HH21 ARG 22 9.838 -7.256 10.563
133 HH22 ARG 22 HH22 ARG 22 11.536 -6.868 10.580
134 H THR 23 H THR 23 8.825 -14.461 5.032
135 HA THR 23 HA THR 23 10.191 -14.879 2.463
136 HB THR 23 HB THR 23 8.405 -16.699 2.233
137 HG1 THR 23 HG1 THR 23 7.850 -16.879 4.834
138 HG21 THR 23 HG21 THR 23 9.453 -18.157 3.909
139 HG22 THR 23 HG22 THR 23 10.159 -16.748 4.725
140 HG23 THR 23 HG23 THR 23 10.680 -17.178 3.076
141 H GLY 24 H GLY 24 7.511 -13.163 3.733
142 HA2 GLY 24 HA2 GLY 24 7.006 -11.749 1.377
143 HA3 GLY 24 HA3 GLY 24 5.870 -13.107 1.414
144 H GLY 25 H GLY 25 4.051 -11.719 1.647
145 HA2 GLY 25 HA2 GLY 25 3.374 -11.172 4.367
146 HA3 GLY 25 HA3 GLY 25 3.770 -9.665 3.519
147 H TYR 26 H TYR 26 1.286 -10.040 4.530
148 HA TYR 26 HA TYR 26 -0.383 -10.198 2.062
149 HB2 TYR 26 HB2 TYR 26 -1.041 -11.524 4.722
150 HB3 TYR 26 HB3 TYR 26 -2.131 -11.396 3.335
151 HD1 TYR 26 HD2 TYR 26 -1.468 -12.551 1.135
152 HD2 TYR 26 HD1 TYR 26 0.569 -13.309 4.850
153 HE1 TYR 26 HE2 TYR 26 -0.528 -14.666 0.195
154 HE2 TYR 26 HE1 TYR 26 1.502 -15.422 3.901
155 HH TYR 26 HH TYR 26 1.629 -16.799 2.076
156 H CYS 27 H CYS 27 -2.583 -9.152 2.583
157 HA CYS 27 HA CYS 27 -1.987 -6.785 4.276
158 HB2 CYS 27 HB2 CYS 27 -3.894 -7.010 1.941
159 HB3 CYS 27 HB3 CYS 27 -3.377 -5.526 2.777
160 H ALA 28 H ALA 28 -3.433 -5.917 5.646
161 HA ALA 28 HA ALA 28 -6.128 -7.084 5.971
162 HB1 ALA 28 HB1 ALA 28 -5.754 -7.493 8.396
163 HB2 ALA 28 HB2 ALA 28 -4.649 -8.500 7.439
164 HB3 ALA 28 HB3 ALA 28 -4.043 -7.025 8.226
165 H GLY 29 H GLY 29 -6.862 -5.571 8.234
166 HA2 GLY 29 HA2 GLY 29 -5.543 -3.033 8.280
167 HA3 GLY 29 HA3 GLY 29 -6.962 -2.961 7.219
168 HA PRO 30 HA PRO 30 -8.222 -2.149 11.713
169 HB2 PRO 30 HB2 PRO 30 -9.199 0.382 10.455
170 HB3 PRO 30 HB3 PRO 30 -8.268 0.161 11.967
171 HG2 PRO 30 HG2 PRO 30 -7.117 1.206 9.824
172 HG3 PRO 30 HG3 PRO 30 -6.245 -0.011 10.810
173 HD2 PRO 30 HD2 PRO 30 -7.798 -0.423 8.250
174 HD3 PRO 30 HD3 PRO 30 -6.120 -0.932 8.664
175 H TRP 31 H TRP 31 -10.407 -1.324 12.414
176 HA TRP 31 HA TRP 31 -12.551 -2.714 11.111
177 HB2 TRP 31 HB2 TRP 31 -12.739 -0.469 13.145
178 HB3 TRP 31 HB3 TRP 31 -13.960 -1.697 12.791
179 HD1 TRP 31 HD1 TRP 31 -11.295 -1.003 15.205
180 HE1 TRP 31 HE1 TRP 31 -10.614 -3.045 16.561
181 HE3 TRP 31 HE3 TRP 31 -13.568 -4.552 12.313
182 HZ2 TRP 31 HZ2 TRP 31 -10.966 -5.869 16.399
183 HZ3 TRP 31 HZ3 TRP 31 -13.351 -6.957 12.972
184 HH2 TRP 31 HH2 TRP 31 -12.053 -7.599 15.004
185 H TYR 32 H TYR 32 -11.037 0.049 10.105
186 HA TYR 32 HA TYR 32 -13.438 0.977 8.621
187 HB2 TYR 32 HB2 TYR 32 -12.458 3.303 8.764
188 HB3 TYR 32 HB3 TYR 32 -13.136 2.690 10.274
189 HD1 TYR 32 HD1 TYR 32 -9.960 3.491 8.499
190 HD2 TYR 32 HD2 TYR 32 -11.743 2.302 12.227
191 HE1 TYR 32 HE1 TYR 32 -7.818 3.975 9.678
192 HE2 TYR 32 HE2 TYR 32 -9.590 2.789 13.402
193 HH TYR 32 HH TYR 32 -7.437 3.551 13.194
194 H LEU 33 H LEU 33 -12.811 1.956 6.581
195 HA LEU 33 HA LEU 33 -11.834 1.763 4.531
196 HB2 LEU 33 HB2 LEU 33 -9.209 1.328 6.006
197 HB3 LEU 33 HB3 LEU 33 -9.385 1.656 4.288
198 HG LEU 33 HG LEU 33 -10.252 3.603 6.441
199 HD11 LEU 33 HD11 LEU 33 -7.662 3.518 4.848
200 HD12 LEU 33 HD12 LEU 33 -7.837 3.159 6.585
201 HD13 LEU 33 HD13 LEU 33 -8.163 4.794 5.983
202 HD21 LEU 33 HD21 LEU 33 -11.339 3.965 4.263
203 HD22 LEU 33 HD22 LEU 33 -9.754 3.937 3.454
204 HD23 LEU 33 HD23 LEU 33 -10.155 5.243 4.590
205 H GLY 34 H GLY 34 -9.560 -0.163 3.955
206 HA2 GLY 34 HA2 GLY 34 -11.163 -2.662 4.320
207 HA3 GLY 34 HA3 GLY 34 -10.351 -2.241 2.808
208 H HIS 35 H HIS 35 -8.244 -2.791 2.512
209 HA HIS 35 HA HIS 35 -6.848 -3.948 4.874
210 HB2 HIS 35 HB2 HIS 35 -6.558 -4.878 2.011
211 HB3 HIS 35 HB3 HIS 35 -5.873 -5.621 3.463
212 HD1 HIS 35 HD1 HIS 35 -8.545 -6.169 1.172
213 HD2 HIS 35 HD2 HIS 35 -8.225 -6.288 5.326
214 HE1 HIS 35 HE1 HIS 35 -10.485 -7.547 2.018
215 HA PRO 36 HA PRO 36 -4.143 -0.822 2.721
216 HB2 PRO 36 HB2 PRO 36 -4.081 0.687 5.288
217 HB3 PRO 36 HB3 PRO 36 -4.384 1.297 3.631
218 HG2 PRO 36 HG2 PRO 36 -6.350 1.184 5.420
219 HG3 PRO 36 HG3 PRO 36 -6.643 0.708 3.711
220 HD2 PRO 36 HD2 PRO 36 -6.032 -1.068 6.082
221 HD3 PRO 36 HD3 PRO 36 -7.386 -1.167 4.905
222 H THR 37 H THR 37 -4.027 -2.422 5.839
223 HA THR 37 HA THR 37 -1.246 -1.692 6.383
224 HB THR 37 HB THR 37 -3.189 -3.583 7.807
225 HG1 THR 37 HG1 THR 37 -3.094 -1.717 9.311
226 HG21 THR 37 HG21 THR 37 -0.894 -4.189 8.404
227 HG22 THR 37 HG22 THR 37 -1.626 -3.287 9.747
228 HG23 THR 37 HG23 THR 37 -0.480 -2.471 8.665
229 H CYS 38 H CYS 38 0.419 -2.707 5.514
230 HA CYS 38 HA CYS 38 0.191 -5.471 4.509
231 HB2 CYS 38 HB2 CYS 38 2.271 -3.299 4.518
232 HB3 CYS 38 HB3 CYS 38 2.842 -4.970 4.498
233 H THR 39 H THR 39 0.689 -7.225 5.676
234 HA THR 39 HA THR 39 2.108 -6.855 8.257
235 HB THR 39 HB THR 39 -0.123 -8.842 7.675
236 HG1 THR 39 HG1 THR 39 -0.887 -6.690 7.802
237 HG21 THR 39 HG21 THR 39 1.272 -8.044 10.257
238 HG22 THR 39 HG22 THR 39 1.468 -9.599 9.407
239 HG23 THR 39 HG23 THR 39 -0.098 -9.164 10.132
240 H CYS 40 H CYS 40 3.886 -8.222 8.396
241 HA CYS 40 HA CYS 40 4.418 -9.639 5.866
242 HB2 CYS 40 HB2 CYS 40 6.250 -8.917 8.168
243 HB3 CYS 40 HB3 CYS 40 6.749 -9.612 6.614
244 H SER 41 H SER 41 5.245 -11.669 5.687
245 HA SER 41 HA SER 41 4.537 -13.479 7.962
246 HB2 SER 41 HB2 SER 41 3.104 -13.560 5.848
247 HB3 SER 41 HB3 SER 41 4.557 -14.099 4.980
248 HG SER 41 HG SER 41 4.635 -15.923 6.373
249 H PHE 42 H PHE 42 5.861 -15.345 8.163
250 HA PHE 42 HA PHE 42 8.583 -15.132 6.946
251 HB2 PHE 42 HB2 PHE 42 7.790 -16.095 9.735
252 HB3 PHE 42 HB3 PHE 42 9.418 -16.143 9.055
253 HD1 PHE 42 HD2 PHE 42 6.719 -13.875 10.276
254 HD2 PHE 42 HD1 PHE 42 10.852 -14.197 9.106
255 HE1 PHE 42 HE2 PHE 42 7.150 -11.598 11.192
256 HE2 PHE 42 HE1 PHE 42 11.298 -11.931 10.046
257 HZ PHE 42 HZ PHE 42 9.441 -10.623 11.085
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -0.560 0.038 2.680
2 H2 GLY 1 H2 GLY 1 -1.467 1.349 2.271
3 HA2 GLY 1 HA2 GLY 1 -0.331 1.620 0.217
4 HA3 GLY 1 HA3 GLY 1 0.831 1.582 1.563
5 H PHE 2 H PHE 2 2.176 1.035 -0.522
6 HA PHE 2 HA PHE 2 3.412 -0.491 -1.672
7 HB2 PHE 2 HB2 PHE 2 2.732 -2.427 0.557
8 HB3 PHE 2 HB3 PHE 2 4.179 -2.412 -0.465
9 HD1 PHE 2 HD2 PHE 2 5.641 -0.200 -0.324
10 HD2 PHE 2 HD1 PHE 2 2.783 -1.430 2.659
11 HE1 PHE 2 HE2 PHE 2 6.762 1.268 1.346
12 HE2 PHE 2 HE1 PHE 2 3.904 0.050 4.341
13 HZ PHE 2 HZ PHE 2 5.900 1.395 3.672
14 H GLY 3 H GLY 3 0.963 -0.301 -2.801
15 HA2 GLY 3 HA2 GLY 3 -0.055 -1.456 -4.536
16 HA3 GLY 3 HA3 GLY 3 0.654 -2.966 -3.958
17 H CYS 4 H CYS 4 -0.447 -2.213 -1.172
18 HA CYS 4 HA CYS 4 -3.090 -3.405 -1.735
19 HB2 CYS 4 HB2 CYS 4 -1.076 -3.645 0.370
20 HB3 CYS 4 HB3 CYS 4 -2.738 -3.540 0.976
21 HA PRO 5 HA PRO 5 -5.135 -3.771 -0.667
22 HB2 PRO 5 HB2 PRO 5 -7.620 -2.846 -1.334
23 HB3 PRO 5 HB3 PRO 5 -7.034 -2.894 0.352
24 HG2 PRO 5 HG2 PRO 5 -7.062 -0.590 -1.550
25 HG3 PRO 5 HG3 PRO 5 -7.650 -0.648 0.138
26 HD2 PRO 5 HD2 PRO 5 -5.213 0.314 -0.500
27 HD3 PRO 5 HD3 PRO 5 -5.502 -0.572 1.016
28 H GLY 6 H GLY 6 -5.436 -4.909 -2.587
29 HA2 GLY 6 HA2 GLY 6 -6.370 -4.510 -4.961
30 HA3 GLY 6 HA3 GLY 6 -5.022 -3.368 -5.089
31 H ASP 7 H ASP 7 -2.853 -4.341 -4.296
32 HA ASP 7 HA ASP 7 -2.616 -7.129 -5.403
33 HB2 ASP 7 HB2 ASP 7 -1.750 -5.551 -7.022
34 HB3 ASP 7 HB3 ASP 7 -0.797 -4.735 -5.765
35 H ALA 8 H ALA 8 -1.777 -8.555 -4.088
36 HA ALA 8 HA ALA 8 -0.491 -7.707 -1.597
37 HB1 ALA 8 HB1 ALA 8 -0.546 -10.104 -1.050
38 HB2 ALA 8 HB2 ALA 8 -2.142 -9.566 -1.623
39 HB3 ALA 8 HB3 ALA 8 -1.075 -10.499 -2.704
40 H TYR 9 H TYR 9 0.538 -8.596 -4.806
41 HA TYR 9 HA TYR 9 2.955 -9.961 -4.078
42 HB2 TYR 9 HB2 TYR 9 1.868 -10.016 -6.336
43 HB3 TYR 9 HB3 TYR 9 2.408 -8.349 -6.579
44 HD1 TYR 9 HD1 TYR 9 3.505 -11.870 -6.332
45 HD2 TYR 9 HD2 TYR 9 4.751 -7.801 -7.006
46 HE1 TYR 9 HE1 TYR 9 5.719 -12.677 -7.183
47 HE2 TYR 9 HE2 TYR 9 6.941 -8.613 -7.848
48 HH TYR 9 HH TYR 9 8.283 -10.379 -8.198
49 H GLN 10 H GLN 10 2.300 -6.513 -4.918
50 HA GLN 10 HA GLN 10 4.995 -5.663 -4.508
51 HB2 GLN 10 HB2 GLN 10 3.146 -4.418 -5.655
52 HB3 GLN 10 HB3 GLN 10 2.476 -4.062 -4.070
53 HG2 GLN 10 HG2 GLN 10 4.528 -2.857 -3.455
54 HG3 GLN 10 HG3 GLN 10 5.214 -3.232 -5.048
55 HE21 GLN 10 HE21 GLN 10 3.447 -2.670 -6.867
56 HE22 GLN 10 HE22 GLN 10 2.849 -1.036 -6.755
57 H CYS 11 H CYS 11 2.311 -6.153 -2.233
58 HA CYS 11 HA CYS 11 3.571 -4.952 0.058
59 HB2 CYS 11 HB2 CYS 11 1.153 -5.558 -0.128
60 HB3 CYS 11 HB3 CYS 11 1.598 -7.271 -0.059
61 H SER 12 H SER 12 3.596 -8.225 -1.370
62 HA SER 12 HA SER 12 5.215 -9.489 0.652
63 HB2 SER 12 HB2 SER 12 3.908 -10.736 -1.040
64 HB3 SER 12 HB3 SER 12 4.913 -10.071 -2.336
65 HG SER 12 HG SER 12 5.675 -12.085 -1.820
66 H GLU 13 H GLU 13 6.087 -7.804 -2.426
67 HA GLU 13 HA GLU 13 8.864 -8.276 -2.185
68 HB2 GLU 13 HB2 GLU 13 7.302 -6.024 -3.481
69 HB3 GLU 13 HB3 GLU 13 9.062 -6.185 -3.611
70 HG2 GLU 13 HG2 GLU 13 8.763 -8.427 -4.620
71 HG3 GLU 13 HG3 GLU 13 7.017 -8.181 -4.583
72 H HIS 14 H HIS 14 6.821 -5.613 -0.933
73 HA HIS 14 HA HIS 14 8.933 -4.095 0.220
74 HB2 HIS 14 HB2 HIS 14 6.739 -3.135 0.030
75 HB3 HIS 14 HB3 HIS 14 6.009 -4.451 0.964
76 HD1 HIS 14 HD1 HIS 14 8.757 -1.850 1.693
77 HD2 HIS 14 HD2 HIS 14 5.485 -3.718 3.457
78 HE1 HIS 14 HE1 HIS 14 8.518 -0.873 4.016
79 H CYS 15 H CYS 15 6.920 -6.738 1.642
80 HA CYS 15 HA CYS 15 8.212 -6.661 4.186
81 HB2 CYS 15 HB2 CYS 15 6.648 -8.710 2.681
82 HB3 CYS 15 HB3 CYS 15 7.407 -9.118 4.220
83 H ARG 16 H ARG 16 8.973 -8.582 1.236
84 HA ARG 16 HA ARG 16 11.079 -10.109 2.466
85 HB2 ARG 16 HB2 ARG 16 10.602 -9.236 -0.404
86 HB3 ARG 16 HB3 ARG 16 11.913 -10.326 0.073
87 HG2 ARG 16 HG2 ARG 16 10.385 -12.017 0.797
88 HG3 ARG 16 HG3 ARG 16 9.013 -10.902 0.732
89 HD2 ARG 16 HD2 ARG 16 8.861 -12.334 -1.184
90 HD3 ARG 16 HD3 ARG 16 9.313 -10.719 -1.736
91 HE ARG 16 HE ARG 16 11.408 -11.488 -2.388
92 HH11 ARG 16 HH11 ARG 16 9.723 -14.095 -0.674
93 HH12 ARG 16 HH12 ARG 16 10.890 -15.285 -1.174
94 HH21 ARG 16 HH21 ARG 16 12.828 -13.087 -2.992
95 HH22 ARG 16 HH22 ARG 16 12.602 -14.737 -2.473
96 H ALA 17 H ALA 17 11.047 -6.869 0.973
97 HA ALA 17 HA ALA 17 13.879 -6.513 1.063
98 HB1 ALA 17 HB1 ALA 17 13.388 -4.154 0.700
99 HB2 ALA 17 HB2 ALA 17 12.356 -5.159 -0.344
100 HB3 ALA 17 HB3 ALA 17 11.685 -4.414 1.138
101 H LEU 18 H LEU 18 11.331 -6.073 3.474
102 HA LEU 18 HA LEU 18 12.904 -4.491 5.312
103 HB2 LEU 18 HB2 LEU 18 10.508 -6.293 5.734
104 HB3 LEU 18 HB3 LEU 18 11.246 -5.340 7.008
105 HG LEU 18 HG LEU 18 9.944 -4.153 4.535
106 HD11 LEU 18 HD11 LEU 18 8.941 -4.476 7.396
107 HD12 LEU 18 HD12 LEU 18 8.334 -5.330 5.956
108 HD13 LEU 18 HD13 LEU 18 8.121 -3.582 6.104
109 HD21 LEU 18 HD21 LEU 18 10.027 -2.047 5.872
110 HD22 LEU 18 HD22 LEU 18 11.654 -2.658 5.470
111 HD23 LEU 18 HD23 LEU 18 10.985 -2.892 7.106
112 H GLY 19 H GLY 19 13.046 -7.869 4.487
113 HA2 GLY 19 HA2 GLY 19 15.272 -8.355 6.108
114 HA3 GLY 19 HA3 GLY 19 13.856 -8.840 7.063
115 H GLY 20 H GLY 20 16.182 -10.183 5.374
116 HA2 GLY 20 HA2 GLY 20 14.913 -11.693 3.358
117 HA3 GLY 20 HA3 GLY 20 16.423 -12.096 4.165
118 H GLY 21 H GLY 21 14.615 -12.070 6.732
119 HA2 GLY 21 HA2 GLY 21 14.154 -14.931 6.720
120 HA3 GLY 21 HA3 GLY 21 13.717 -13.798 8.013
121 H ARG 22 H ARG 22 12.323 -12.095 5.858
122 HA ARG 22 HA ARG 22 9.767 -13.408 6.135
123 HB2 ARG 22 HB2 ARG 22 10.537 -10.747 4.912
124 HB3 ARG 22 HB3 ARG 22 8.884 -11.317 5.130
125 HG2 ARG 22 HG2 ARG 22 9.045 -11.207 7.511
126 HG3 ARG 22 HG3 ARG 22 10.807 -10.988 7.446
127 HD2 ARG 22 HD2 ARG 22 10.559 -8.808 6.436
128 HD3 ARG 22 HD3 ARG 22 8.812 -9.016 6.338
129 HE ARG 22 HE ARG 22 8.622 -8.743 8.656
130 HH11 ARG 22 HH11 ARG 22 11.975 -8.403 7.662
131 HH12 ARG 22 HH12 ARG 22 12.454 -7.660 9.163
132 HH21 ARG 22 HH21 ARG 22 9.286 -7.803 10.565
133 HH22 ARG 22 HH22 ARG 22 10.953 -7.347 10.783
134 H THR 23 H THR 23 8.831 -14.579 4.568
135 HA THR 23 HA THR 23 10.258 -14.709 1.973
136 HB THR 23 HB THR 23 8.771 -16.697 1.588
137 HG1 THR 23 HG1 THR 23 8.053 -17.111 4.142
138 HG21 THR 23 HG21 THR 23 9.884 -18.151 3.244
139 HG22 THR 23 HG22 THR 23 10.329 -16.733 4.203
140 HG23 THR 23 HG23 THR 23 11.042 -16.963 2.588
141 H GLY 24 H GLY 24 7.523 -13.221 3.378
142 HA2 GLY 24 HA2 GLY 24 6.842 -11.929 0.982
143 HA3 GLY 24 HA3 GLY 24 5.729 -13.293 1.192
144 H GLY 25 H GLY 25 3.974 -11.822 1.405
145 HA2 GLY 25 HA2 GLY 25 3.507 -11.037 4.146
146 HA3 GLY 25 HA3 GLY 25 3.759 -9.641 3.086
147 H TYR 26 H TYR 26 1.426 -9.946 4.415
148 HA TYR 26 HA TYR 26 -0.529 -10.590 2.245
149 HB2 TYR 26 HB2 TYR 26 -0.951 -11.026 5.226
150 HB3 TYR 26 HB3 TYR 26 -2.075 -11.440 3.928
151 HD1 TYR 26 HD2 TYR 26 -0.647 -12.984 2.001
152 HD2 TYR 26 HD1 TYR 26 -0.036 -12.896 6.270
153 HE1 TYR 26 HE2 TYR 26 0.354 -15.265 1.907
154 HE2 TYR 26 HE1 TYR 26 0.949 -15.182 6.153
155 HH TYR 26 HH TYR 26 1.657 -16.878 4.816
156 H CYS 27 H CYS 27 -2.689 -9.415 2.883
157 HA CYS 27 HA CYS 27 -2.013 -6.817 4.191
158 HB2 CYS 27 HB2 CYS 27 -3.875 -7.266 1.834
159 HB3 CYS 27 HB3 CYS 27 -3.456 -5.721 2.578
160 H ALA 28 H ALA 28 -3.501 -5.959 5.539
161 HA ALA 28 HA ALA 28 -6.160 -7.268 5.864
162 HB1 ALA 28 HB1 ALA 28 -5.810 -7.450 8.311
163 HB2 ALA 28 HB2 ALA 28 -4.612 -8.433 7.452
164 HB3 ALA 28 HB3 ALA 28 -4.140 -6.854 8.135
165 H GLY 29 H GLY 29 -7.165 -5.679 7.897
166 HA2 GLY 29 HA2 GLY 29 -6.060 -3.050 7.889
167 HA3 GLY 29 HA3 GLY 29 -7.383 -3.152 6.708
168 HA PRO 30 HA PRO 30 -9.175 -2.112 10.971
169 HB2 PRO 30 HB2 PRO 30 -10.435 0.037 9.312
170 HB3 PRO 30 HB3 PRO 30 -9.624 0.163 10.905
171 HG2 PRO 30 HG2 PRO 30 -8.461 1.118 8.742
172 HG3 PRO 30 HG3 PRO 30 -7.504 0.186 9.942
173 HD2 PRO 30 HD2 PRO 30 -8.729 -0.780 7.347
174 HD3 PRO 30 HD3 PRO 30 -7.031 -0.945 7.932
175 H TRP 31 H TRP 31 -11.521 -1.477 11.383
176 HA TRP 31 HA TRP 31 -13.384 -3.360 10.293
177 HB2 TRP 31 HB2 TRP 31 -13.812 -0.742 11.797
178 HB3 TRP 31 HB3 TRP 31 -15.075 -1.928 11.458
179 HD1 TRP 31 HD1 TRP 31 -12.420 -1.140 13.962
180 HE1 TRP 31 HE1 TRP 31 -12.266 -2.933 15.756
181 HE3 TRP 31 HE3 TRP 31 -15.342 -4.680 11.686
182 HZ2 TRP 31 HZ2 TRP 31 -13.267 -5.562 16.169
183 HZ3 TRP 31 HZ3 TRP 31 -15.735 -6.844 12.874
184 HH2 TRP 31 HH2 TRP 31 -14.708 -7.279 15.098
185 H TYR 32 H TYR 32 -12.097 -0.713 8.721
186 HA TYR 32 HA TYR 32 -14.424 -0.469 6.930
187 HB2 TYR 32 HB2 TYR 32 -13.949 2.067 6.907
188 HB3 TYR 32 HB3 TYR 32 -14.867 1.422 8.271
189 HD1 TYR 32 HD1 TYR 32 -11.415 2.539 7.259
190 HD2 TYR 32 HD2 TYR 32 -14.099 1.689 10.515
191 HE1 TYR 32 HE1 TYR 32 -9.802 3.569 8.866
192 HE2 TYR 32 HE2 TYR 32 -12.474 2.716 12.111
193 HH TYR 32 HH TYR 32 -10.460 3.754 12.361
194 H LEU 33 H LEU 33 -13.791 0.648 4.943
195 HA LEU 33 HA LEU 33 -12.543 0.709 3.047
196 HB2 LEU 33 HB2 LEU 33 -10.091 0.791 4.811
197 HB3 LEU 33 HB3 LEU 33 -10.139 1.145 3.103
198 HG LEU 33 HG LEU 33 -11.607 2.781 5.190
199 HD11 LEU 33 HD11 LEU 33 -8.912 3.320 3.875
200 HD12 LEU 33 HD12 LEU 33 -9.164 2.819 5.569
201 HD13 LEU 33 HD13 LEU 33 -9.776 4.388 5.008
202 HD21 LEU 33 HD21 LEU 33 -12.554 3.032 2.955
203 HD22 LEU 33 HD22 LEU 33 -10.930 3.295 2.265
204 HD23 LEU 33 HD23 LEU 33 -11.631 4.494 3.369
205 H GLY 34 H GLY 34 -10.053 -0.590 2.461
206 HA2 GLY 34 HA2 GLY 34 -11.108 -3.374 2.523
207 HA3 GLY 34 HA3 GLY 34 -9.932 -2.719 1.371
208 H HIS 35 H HIS 35 -7.891 -3.270 1.662
209 HA HIS 35 HA HIS 35 -7.007 -4.100 4.378
210 HB2 HIS 35 HB2 HIS 35 -6.121 -5.295 1.731
211 HB3 HIS 35 HB3 HIS 35 -5.663 -5.817 3.358
212 HD1 HIS 35 HD1 HIS 35 -8.286 -6.298 0.770
213 HD2 HIS 35 HD2 HIS 35 -7.794 -7.041 4.837
214 HE1 HIS 35 HE1 HIS 35 -10.088 -7.926 1.443
215 HA PRO 36 HA PRO 36 -4.169 -0.874 2.553
216 HB2 PRO 36 HB2 PRO 36 -4.587 0.541 5.156
217 HB3 PRO 36 HB3 PRO 36 -4.645 1.193 3.487
218 HG2 PRO 36 HG2 PRO 36 -6.887 0.892 4.910
219 HG3 PRO 36 HG3 PRO 36 -6.845 0.443 3.165
220 HD2 PRO 36 HD2 PRO 36 -6.522 -1.341 5.583
221 HD3 PRO 36 HD3 PRO 36 -7.638 -1.503 4.181
222 H THR 37 H THR 37 -4.264 -2.619 5.584
223 HA THR 37 HA THR 37 -1.582 -1.724 6.411
224 HB THR 37 HB THR 37 -3.611 -3.642 7.679
225 HG1 THR 37 HG1 THR 37 -3.740 -1.812 9.161
226 HG21 THR 37 HG21 THR 37 -1.328 -4.221 8.445
227 HG22 THR 37 HG22 THR 37 -2.209 -3.363 9.721
228 HG23 THR 37 HG23 THR 37 -0.988 -2.495 8.763
229 H CYS 38 H CYS 38 0.169 -2.689 5.582
230 HA CYS 38 HA CYS 38 0.050 -5.433 4.533
231 HB2 CYS 38 HB2 CYS 38 2.087 -3.235 4.681
232 HB3 CYS 38 HB3 CYS 38 2.678 -4.901 4.593
233 H THR 39 H THR 39 0.864 -7.227 5.532
234 HA THR 39 HA THR 39 2.234 -6.924 8.154
235 HB THR 39 HB THR 39 -0.104 -8.827 7.604
236 HG1 THR 39 HG1 THR 39 -0.511 -6.490 8.023
237 HG21 THR 39 HG21 THR 39 1.542 -8.322 10.111
238 HG22 THR 39 HG22 THR 39 1.528 -9.815 9.132
239 HG23 THR 39 HG23 THR 39 0.083 -9.328 10.041
240 H CYS 40 H CYS 40 3.896 -8.521 8.310
241 HA CYS 40 HA CYS 40 4.404 -9.733 5.674
242 HB2 CYS 40 HB2 CYS 40 6.208 -9.359 8.058
243 HB3 CYS 40 HB3 CYS 40 6.699 -9.932 6.463
244 H SER 41 H SER 41 5.317 -11.776 5.392
245 HA SER 41 HA SER 41 4.463 -13.781 7.440
246 HB2 SER 41 HB2 SER 41 3.082 -13.678 5.298
247 HB3 SER 41 HB3 SER 41 4.545 -14.158 4.422
248 HG SER 41 HG SER 41 4.571 -16.097 5.567
249 H PHE 42 H PHE 42 5.782 -15.671 7.483
250 HA PHE 42 HA PHE 42 8.528 -15.332 6.344
251 HB2 PHE 42 HB2 PHE 42 7.710 -16.529 9.046
252 HB3 PHE 42 HB3 PHE 42 9.352 -16.479 8.376
253 HD1 PHE 42 HD2 PHE 42 6.558 -14.288 9.604
254 HD2 PHE 42 HD1 PHE 42 10.758 -14.608 8.747
255 HE1 PHE 42 HE2 PHE 42 6.943 -12.071 10.681
256 HE2 PHE 42 HE1 PHE 42 11.156 -12.399 9.831
257 HZ PHE 42 HZ PHE 42 9.256 -11.123 10.784
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -1.323 1.016 2.706
2 H2 GLY 1 H2 GLY 1 -1.565 -0.281 1.717
3 HA2 GLY 1 HA2 GLY 1 -0.401 1.408 0.521
4 HA3 GLY 1 HA3 GLY 1 0.841 1.405 1.794
5 H PHE 2 H PHE 2 2.112 0.988 -0.360
6 HA PHE 2 HA PHE 2 3.398 -0.447 -1.583
7 HB2 PHE 2 HB2 PHE 2 2.904 -2.500 0.585
8 HB3 PHE 2 HB3 PHE 2 4.329 -2.302 -0.437
9 HD1 PHE 2 HD2 PHE 2 5.598 0.014 -0.176
10 HD2 PHE 2 HD1 PHE 2 2.875 -1.606 2.734
11 HE1 PHE 2 HE2 PHE 2 6.600 1.482 1.569
12 HE2 PHE 2 HE1 PHE 2 3.874 -0.144 4.491
13 HZ PHE 2 HZ PHE 2 5.737 1.404 3.910
14 H GLY 3 H GLY 3 0.927 -0.359 -2.637
15 HA2 GLY 3 HA2 GLY 3 0.005 -1.565 -4.432
16 HA3 GLY 3 HA3 GLY 3 0.636 -3.073 -3.751
17 H CYS 4 H CYS 4 -0.374 -2.398 -1.046
18 HA CYS 4 HA CYS 4 -3.132 -3.293 -1.553
19 HB2 CYS 4 HB2 CYS 4 -1.185 -3.558 0.675
20 HB3 CYS 4 HB3 CYS 4 -2.902 -3.498 1.108
21 HA PRO 5 HA PRO 5 -5.131 -3.482 -0.283
22 HB2 PRO 5 HB2 PRO 5 -7.596 -2.425 -0.753
23 HB3 PRO 5 HB3 PRO 5 -6.849 -2.423 0.875
24 HG2 PRO 5 HG2 PRO 5 -6.943 -0.218 -1.162
25 HG3 PRO 5 HG3 PRO 5 -7.337 -0.162 0.582
26 HD2 PRO 5 HD2 PRO 5 -4.918 0.618 -0.402
27 HD3 PRO 5 HD3 PRO 5 -5.093 -0.143 1.209
28 H GLY 6 H GLY 6 -5.312 -4.712 -2.104
29 HA2 GLY 6 HA2 GLY 6 -6.510 -4.510 -4.427
30 HA3 GLY 6 HA3 GLY 6 -5.230 -3.311 -4.714
31 H ASP 7 H ASP 7 -2.948 -4.121 -4.102
32 HA ASP 7 HA ASP 7 -2.681 -6.918 -5.157
33 HB2 ASP 7 HB2 ASP 7 -1.832 -5.276 -6.739
34 HB3 ASP 7 HB3 ASP 7 -0.864 -4.518 -5.465
35 H ALA 8 H ALA 8 -1.843 -8.360 -3.860
36 HA ALA 8 HA ALA 8 -0.437 -7.510 -1.427
37 HB1 ALA 8 HB1 ALA 8 -0.567 -9.901 -0.810
38 HB2 ALA 8 HB2 ALA 8 -2.165 -9.274 -1.288
39 HB3 ALA 8 HB3 ALA 8 -1.229 -10.283 -2.416
40 H TYR 9 H TYR 9 0.446 -8.387 -4.660
41 HA TYR 9 HA TYR 9 2.802 -9.906 -4.018
42 HB2 TYR 9 HB2 TYR 9 1.603 -9.763 -6.257
43 HB3 TYR 9 HB3 TYR 9 2.402 -8.203 -6.491
44 HD1 TYR 9 HD2 TYR 9 4.873 -8.086 -6.818
45 HD2 TYR 9 HD1 TYR 9 2.869 -11.866 -6.321
46 HE1 TYR 9 HE2 TYR 9 6.896 -9.273 -7.639
47 HE2 TYR 9 HE1 TYR 9 4.912 -13.047 -7.156
48 HH TYR 9 HH TYR 9 7.870 -11.272 -8.087
49 H GLN 10 H GLN 10 2.347 -6.413 -4.855
50 HA GLN 10 HA GLN 10 5.099 -5.739 -4.430
51 HB2 GLN 10 HB2 GLN 10 3.372 -4.358 -5.606
52 HB3 GLN 10 HB3 GLN 10 2.665 -3.970 -4.035
53 HG2 GLN 10 HG2 GLN 10 4.759 -2.887 -3.338
54 HG3 GLN 10 HG3 GLN 10 5.511 -3.339 -4.875
55 HE21 GLN 10 HE21 GLN 10 4.607 -2.444 -6.850
56 HE22 GLN 10 HE22 GLN 10 3.862 -0.863 -6.785
57 H CYS 11 H CYS 11 2.366 -6.103 -2.221
58 HA CYS 11 HA CYS 11 3.577 -4.918 0.090
59 HB2 CYS 11 HB2 CYS 11 1.157 -5.523 -0.160
60 HB3 CYS 11 HB3 CYS 11 1.608 -7.228 -0.071
61 H SER 12 H SER 12 3.565 -8.230 -1.254
62 HA SER 12 HA SER 12 5.166 -9.444 0.785
63 HB2 SER 12 HB2 SER 12 3.838 -10.709 -0.880
64 HB3 SER 12 HB3 SER 12 4.880 -10.103 -2.179
65 HG SER 12 HG SER 12 5.550 -12.142 -1.574
66 H GLU 13 H GLU 13 6.066 -7.869 -2.332
67 HA GLU 13 HA GLU 13 8.825 -8.371 -2.104
68 HB2 GLU 13 HB2 GLU 13 7.331 -6.093 -3.415
69 HB3 GLU 13 HB3 GLU 13 9.070 -6.360 -3.590
70 HG2 GLU 13 HG2 GLU 13 8.633 -8.582 -4.566
71 HG3 GLU 13 HG3 GLU 13 6.896 -8.298 -4.429
72 H HIS 14 H HIS 14 6.846 -5.653 -0.880
73 HA HIS 14 HA HIS 14 9.038 -4.152 0.182
74 HB2 HIS 14 HB2 HIS 14 6.814 -3.178 -0.048
75 HB3 HIS 14 HB3 HIS 14 6.143 -4.361 1.078
76 HD1 HIS 14 HD1 HIS 14 8.898 -1.680 1.236
77 HD2 HIS 14 HD2 HIS 14 5.931 -3.433 3.572
78 HE1 HIS 14 HE1 HIS 14 8.928 -0.498 3.474
79 H CYS 15 H CYS 15 6.950 -6.680 1.676
80 HA CYS 15 HA CYS 15 8.219 -6.558 4.236
81 HB2 CYS 15 HB2 CYS 15 6.660 -8.672 2.758
82 HB3 CYS 15 HB3 CYS 15 7.371 -8.996 4.342
83 H ARG 16 H ARG 16 8.943 -8.569 1.346
84 HA ARG 16 HA ARG 16 11.049 -10.071 2.587
85 HB2 ARG 16 HB2 ARG 16 10.547 -9.242 -0.284
86 HB3 ARG 16 HB3 ARG 16 11.847 -10.347 0.191
87 HG2 ARG 16 HG2 ARG 16 10.348 -12.036 0.850
88 HG3 ARG 16 HG3 ARG 16 8.998 -10.907 1.007
89 HD2 ARG 16 HD2 ARG 16 8.636 -12.239 -0.965
90 HD3 ARG 16 HD3 ARG 16 8.999 -10.579 -1.453
91 HE ARG 16 HE ARG 16 11.027 -11.269 -2.374
92 HH11 ARG 16 HH11 ARG 16 9.507 -14.012 -0.723
93 HH12 ARG 16 HH12 ARG 16 10.585 -15.162 -1.476
94 HH21 ARG 16 HH21 ARG 16 12.357 -12.806 -3.277
95 HH22 ARG 16 HH22 ARG 16 12.168 -14.491 -2.881
96 H ALA 17 H ALA 17 11.034 -6.856 1.039
97 HA ALA 17 HA ALA 17 13.864 -6.519 1.081
98 HB1 ALA 17 HB1 ALA 17 13.384 -4.155 0.714
99 HB2 ALA 17 HB2 ALA 17 12.292 -5.150 -0.277
100 HB3 ALA 17 HB3 ALA 17 11.695 -4.386 1.217
101 H LEU 18 H LEU 18 11.373 -6.028 3.563
102 HA LEU 18 HA LEU 18 13.031 -4.484 5.352
103 HB2 LEU 18 HB2 LEU 18 10.628 -6.258 5.896
104 HB3 LEU 18 HB3 LEU 18 11.384 -5.216 7.092
105 HG LEU 18 HG LEU 18 10.057 -4.198 4.570
106 HD11 LEU 18 HD11 LEU 18 9.043 -4.280 7.432
107 HD12 LEU 18 HD12 LEU 18 8.459 -5.302 6.096
108 HD13 LEU 18 HD13 LEU 18 8.211 -3.545 6.041
109 HD21 LEU 18 HD21 LEU 18 10.119 -2.016 5.764
110 HD22 LEU 18 HD22 LEU 18 11.739 -2.641 5.400
111 HD23 LEU 18 HD23 LEU 18 11.091 -2.775 7.049
112 H GLY 19 H GLY 19 13.064 -7.839 4.510
113 HA2 GLY 19 HA2 GLY 19 15.337 -8.384 6.061
114 HA3 GLY 19 HA3 GLY 19 13.936 -8.884 7.033
115 H GLY 20 H GLY 20 16.215 -10.165 5.142
116 HA2 GLY 20 HA2 GLY 20 14.811 -11.597 3.160
117 HA3 GLY 20 HA3 GLY 20 16.375 -12.038 3.842
118 H GLY 21 H GLY 21 14.764 -12.133 6.512
119 HA2 GLY 21 HA2 GLY 21 14.252 -14.984 6.414
120 HA3 GLY 21 HA3 GLY 21 13.928 -13.901 7.785
121 H ARG 22 H ARG 22 12.360 -12.081 5.868
122 HA ARG 22 HA ARG 22 9.840 -13.373 6.246
123 HB2 ARG 22 HB2 ARG 22 10.581 -10.748 4.954
124 HB3 ARG 22 HB3 ARG 22 8.921 -11.319 5.171
125 HG2 ARG 22 HG2 ARG 22 9.068 -11.178 7.535
126 HG3 ARG 22 HG3 ARG 22 10.834 -10.968 7.491
127 HD2 ARG 22 HD2 ARG 22 10.561 -8.780 6.409
128 HD3 ARG 22 HD3 ARG 22 8.808 -8.986 6.421
129 HE ARG 22 HE ARG 22 8.778 -8.712 8.770
130 HH11 ARG 22 HH11 ARG 22 12.038 -8.359 7.517
131 HH12 ARG 22 HH12 ARG 22 12.621 -7.599 8.972
132 HH21 ARG 22 HH21 ARG 22 9.579 -7.761 10.607
133 HH22 ARG 22 HH22 ARG 22 11.251 -7.271 10.690
134 H THR 23 H THR 23 8.818 -14.598 4.778
135 HA THR 23 HA THR 23 10.140 -14.943 2.165
136 HB THR 23 HB THR 23 8.402 -16.774 1.916
137 HG1 THR 23 HG1 THR 23 7.779 -17.033 4.485
138 HG21 THR 23 HG21 THR 23 9.439 -18.266 3.580
139 HG22 THR 23 HG22 THR 23 10.108 -16.868 4.443
140 HG23 THR 23 HG23 THR 23 10.667 -17.251 2.798
141 H GLY 24 H GLY 24 7.538 -13.223 3.574
142 HA2 GLY 24 HA2 GLY 24 6.962 -11.815 1.225
143 HA3 GLY 24 HA3 GLY 24 5.797 -13.140 1.324
144 H GLY 25 H GLY 25 4.042 -11.760 1.569
145 HA2 GLY 25 HA2 GLY 25 3.456 -11.067 4.286
146 HA3 GLY 25 HA3 GLY 25 3.780 -9.611 3.319
147 H TYR 26 H TYR 26 1.334 -9.993 4.435
148 HA TYR 26 HA TYR 26 -0.411 -10.439 2.055
149 HB2 TYR 26 HB2 TYR 26 -0.994 -11.443 4.873
150 HB3 TYR 26 HB3 TYR 26 -2.043 -11.606 3.457
151 HD1 TYR 26 HD2 TYR 26 -0.959 -12.903 1.381
152 HD2 TYR 26 HD1 TYR 26 0.446 -13.224 5.439
153 HE1 TYR 26 HE2 TYR 26 0.162 -15.061 0.831
154 HE2 TYR 26 HE1 TYR 26 1.545 -15.393 4.878
155 HH TYR 26 HH TYR 26 2.022 -16.907 3.254
156 H CYS 27 H CYS 27 -2.687 -9.447 2.722
157 HA CYS 27 HA CYS 27 -2.095 -6.984 4.298
158 HB2 CYS 27 HB2 CYS 27 -3.904 -7.248 1.888
159 HB3 CYS 27 HB3 CYS 27 -3.503 -5.759 2.761
160 H ALA 28 H ALA 28 -3.627 -6.121 5.588
161 HA ALA 28 HA ALA 28 -6.311 -7.294 5.866
162 HB1 ALA 28 HB1 ALA 28 -5.995 -7.867 8.248
163 HB2 ALA 28 HB2 ALA 28 -4.849 -8.810 7.280
164 HB3 ALA 28 HB3 ALA 28 -4.282 -7.373 8.165
165 H GLY 29 H GLY 29 -6.793 -5.935 8.344
166 HA2 GLY 29 HA2 GLY 29 -5.548 -3.670 9.010
167 HA3 GLY 29 HA3 GLY 29 -6.260 -3.160 7.482
168 HA PRO 30 HA PRO 30 -9.143 -2.059 10.961
169 HB2 PRO 30 HB2 PRO 30 -9.299 0.386 9.215
170 HB3 PRO 30 HB3 PRO 30 -9.144 0.281 11.000
171 HG2 PRO 30 HG2 PRO 30 -7.070 1.015 9.548
172 HG3 PRO 30 HG3 PRO 30 -6.851 -0.170 10.879
173 HD2 PRO 30 HD2 PRO 30 -7.158 -0.681 7.917
174 HD3 PRO 30 HD3 PRO 30 -5.909 -1.296 9.060
175 H TRP 31 H TRP 31 -11.433 -1.414 10.789
176 HA TRP 31 HA TRP 31 -12.751 -2.965 8.817
177 HB2 TRP 31 HB2 TRP 31 -14.059 -0.916 10.607
178 HB3 TRP 31 HB3 TRP 31 -14.719 -2.450 10.011
179 HD1 TRP 31 HD1 TRP 31 -13.311 -1.045 13.064
180 HE1 TRP 31 HE1 TRP 31 -12.425 -2.792 14.685
181 HE3 TRP 31 HE3 TRP 31 -13.190 -5.016 9.831
182 HZ2 TRP 31 HZ2 TRP 31 -11.704 -5.552 14.595
183 HZ3 TRP 31 HZ3 TRP 31 -12.364 -7.223 10.677
184 HH2 TRP 31 HH2 TRP 31 -11.625 -7.474 13.042
185 H TYR 32 H TYR 32 -11.488 0.021 8.193
186 HA TYR 32 HA TYR 32 -13.711 0.688 6.319
187 HB2 TYR 32 HB2 TYR 32 -12.597 2.929 6.132
188 HB3 TYR 32 HB3 TYR 32 -13.339 2.591 7.696
189 HD1 TYR 32 HD1 TYR 32 -10.011 2.657 5.938
190 HD2 TYR 32 HD2 TYR 32 -12.095 2.765 9.701
191 HE1 TYR 32 HE1 TYR 32 -7.891 3.264 7.100
192 HE2 TYR 32 HE2 TYR 32 -9.965 3.381 10.854
193 HH TYR 32 HH TYR 32 -7.741 3.869 10.611
194 H LEU 33 H LEU 33 -13.172 1.094 4.179
195 HA LEU 33 HA LEU 33 -12.257 0.470 2.186
196 HB2 LEU 33 HB2 LEU 33 -9.569 0.530 3.595
197 HB3 LEU 33 HB3 LEU 33 -9.824 0.487 1.857
198 HG LEU 33 HG LEU 33 -10.671 2.790 3.644
199 HD11 LEU 33 HD11 LEU 33 -8.222 2.465 1.860
200 HD12 LEU 33 HD12 LEU 33 -8.230 2.514 3.642
201 HD13 LEU 33 HD13 LEU 33 -8.703 3.950 2.717
202 HD21 LEU 33 HD21 LEU 33 -11.976 2.670 1.572
203 HD22 LEU 33 HD22 LEU 33 -10.487 2.510 0.608
204 HD23 LEU 33 HD23 LEU 33 -10.831 4.020 1.483
205 H GLY 34 H GLY 34 -9.947 -1.390 1.867
206 HA2 GLY 34 HA2 GLY 34 -11.436 -3.820 2.747
207 HA3 GLY 34 HA3 GLY 34 -10.359 -3.715 1.351
208 H HIS 35 H HIS 35 -8.026 -3.272 1.860
209 HA HIS 35 HA HIS 35 -7.216 -4.453 4.464
210 HB2 HIS 35 HB2 HIS 35 -6.088 -5.299 1.771
211 HB3 HIS 35 HB3 HIS 35 -5.668 -5.929 3.363
212 HD1 HIS 35 HD1 HIS 35 -7.998 -6.482 0.563
213 HD2 HIS 35 HD2 HIS 35 -7.808 -7.427 4.615
214 HE1 HIS 35 HE1 HIS 35 -9.684 -8.322 0.969
215 HA PRO 36 HA PRO 36 -4.792 -0.683 3.113
216 HB2 PRO 36 HB2 PRO 36 -5.166 0.038 6.007
217 HB3 PRO 36 HB3 PRO 36 -5.323 1.067 4.550
218 HG2 PRO 36 HG2 PRO 36 -7.486 0.282 5.828
219 HG3 PRO 36 HG3 PRO 36 -7.424 0.208 4.037
220 HD2 PRO 36 HD2 PRO 36 -6.991 -2.021 6.022
221 HD3 PRO 36 HD3 PRO 36 -8.056 -1.972 4.577
222 H THR 37 H THR 37 -4.368 -2.825 5.910
223 HA THR 37 HA THR 37 -1.654 -1.788 6.421
224 HB THR 37 HB THR 37 -3.337 -3.902 7.845
225 HG1 THR 37 HG1 THR 37 -3.386 -2.073 9.409
226 HG21 THR 37 HG21 THR 37 -0.996 -4.277 8.371
227 HG22 THR 37 HG22 THR 37 -1.744 -3.449 9.748
228 HG23 THR 37 HG23 THR 37 -0.721 -2.535 8.621
229 H CYS 38 H CYS 38 0.111 -2.699 5.589
230 HA CYS 38 HA CYS 38 0.053 -5.414 4.445
231 HB2 CYS 38 HB2 CYS 38 1.997 -3.140 4.609
232 HB3 CYS 38 HB3 CYS 38 2.678 -4.768 4.539
233 H THR 39 H THR 39 0.687 -7.204 5.529
234 HA THR 39 HA THR 39 2.022 -6.877 8.160
235 HB THR 39 HB THR 39 -0.168 -8.894 7.491
236 HG1 THR 39 HG1 THR 39 -0.943 -6.733 7.711
237 HG21 THR 39 HG21 THR 39 1.219 -8.184 10.106
238 HG22 THR 39 HG22 THR 39 1.401 -9.710 9.198
239 HG23 THR 39 HG23 THR 39 -0.160 -9.296 9.942
240 H CYS 40 H CYS 40 3.814 -8.264 8.328
241 HA CYS 40 HA CYS 40 4.439 -9.595 5.771
242 HB2 CYS 40 HB2 CYS 40 6.189 -8.971 8.168
243 HB3 CYS 40 HB3 CYS 40 6.744 -9.617 6.614
244 H SER 41 H SER 41 5.330 -11.634 5.581
245 HA SER 41 HA SER 41 4.612 -13.487 7.824
246 HB2 SER 41 HB2 SER 41 3.099 -13.528 5.778
247 HB3 SER 41 HB3 SER 41 4.504 -14.062 4.837
248 HG SER 41 HG SER 41 4.623 -15.916 6.158
249 H PHE 42 H PHE 42 5.890 -15.381 7.934
250 HA PHE 42 HA PHE 42 8.570 -15.226 6.613
251 HB2 PHE 42 HB2 PHE 42 7.837 -16.272 9.386
252 HB3 PHE 42 HB3 PHE 42 9.437 -16.378 8.638
253 HD1 PHE 42 HD2 PHE 42 6.907 -13.999 10.027
254 HD2 PHE 42 HD1 PHE 42 10.976 -14.542 8.739
255 HE1 PHE 42 HE2 PHE 42 7.509 -11.793 11.017
256 HE2 PHE 42 HE1 PHE 42 11.594 -12.344 9.745
257 HZ PHE 42 HZ PHE 42 9.854 -10.958 10.879
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