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 |
|
|
648241 |
6v6t   |
30695 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 1.675 0.759 -1.888
3 HB2 SER 1 HB2 SER 1 4.150 0.122 -1.839
4 HB3 SER 1 HB3 SER 1 3.644 1.390 -0.723
5 HG SER 1 HG SER 1 4.371 0.175 0.812
6 H GLU 2 H GLU 2 1.693 -0.450 -3.701
7 HA GLU 2 HA GLU 2 1.620 -3.372 -3.353
8 HB2 GLU 2 HB2 GLU 2 0.205 -1.506 -5.212
9 HB3 GLU 2 HB3 GLU 2 0.517 -3.155 -5.735
10 HG2 GLU 2 HG2 GLU 2 -0.739 -4.044 -3.906
11 HG3 GLU 2 HG3 GLU 2 -0.915 -2.443 -3.189
12 H CYS 3 H CYS 3 3.962 -1.507 -3.786
13 HA CYS 3 HA CYS 3 5.054 -2.885 -6.149
14 HB2 CYS 3 HB2 CYS 3 6.538 -0.774 -6.343
15 HB3 CYS 3 HB3 CYS 3 4.874 -0.681 -6.910
16 H ARG 4 H ARG 4 7.446 -3.049 -6.127
17 HA ARG 4 HA ARG 4 8.324 -3.988 -3.551
18 HB2 ARG 4 HB2 ARG 4 10.029 -3.790 -6.024
19 HB3 ARG 4 HB3 ARG 4 10.182 -4.915 -4.681
20 HG2 ARG 4 HG2 ARG 4 8.179 -6.070 -5.362
21 HG3 ARG 4 HG3 ARG 4 7.899 -4.889 -6.643
22 HD2 ARG 4 HD2 ARG 4 9.007 -6.317 -7.961
23 HD3 ARG 4 HD3 ARG 4 10.457 -5.719 -7.156
24 HE ARG 4 HE ARG 4 10.686 -7.767 -6.185
25 HH11 ARG 4 HH11 ARG 4 7.373 -7.379 -7.180
26 HH12 ARG 4 HH12 ARG 4 6.918 -8.994 -6.749
27 HH21 ARG 4 HH21 ARG 4 10.100 -9.895 -5.613
28 HH22 ARG 4 HH22 ARG 4 8.469 -10.424 -5.857
29 H TYR 5 H TYR 5 9.539 -2.935 -2.117
30 HA TYR 5 HA TYR 5 10.089 -0.204 -2.326
31 HB2 TYR 5 HB2 TYR 5 10.706 -2.363 -0.425
32 HB3 TYR 5 HB3 TYR 5 11.861 -1.035 -0.417
33 HD1 TYR 5 HD1 TYR 5 8.941 -2.211 1.045
34 HD2 TYR 5 HD2 TYR 5 10.658 1.378 -0.464
35 HE1 TYR 5 HE1 TYR 5 7.408 -0.895 2.447
36 HE2 TYR 5 HE2 TYR 5 9.130 2.704 0.934
37 HH TYR 5 HH TYR 5 7.527 2.657 2.465
38 H LEU 6 H LEU 6 12.372 0.704 -1.968
39 HA LEU 6 HA LEU 6 13.862 0.577 -4.230
40 HB2 LEU 6 HB2 LEU 6 14.081 2.081 -2.135
41 HB3 LEU 6 HB3 LEU 6 15.246 0.875 -1.592
42 HG LEU 6 HG LEU 6 16.270 1.381 -4.007
43 HD11 LEU 6 HD11 LEU 6 14.421 3.583 -3.455
44 HD12 LEU 6 HD12 LEU 6 15.155 3.066 -4.973
45 HD13 LEU 6 HD13 LEU 6 16.062 4.089 -3.859
46 HD21 LEU 6 HD21 LEU 6 16.807 3.318 -1.784
47 HD22 LEU 6 HD22 LEU 6 17.940 2.579 -2.915
48 HD23 LEU 6 HD23 LEU 6 17.224 1.612 -1.625
49 H PHE 7 H PHE 7 15.423 -0.679 -5.106
50 HA PHE 7 HA PHE 7 16.707 -2.514 -5.501
51 HB2 PHE 7 HB2 PHE 7 17.062 -2.202 -2.528
52 HB3 PHE 7 HB3 PHE 7 17.850 -3.504 -3.414
53 HD1 PHE 7 HD1 PHE 7 17.926 -0.022 -2.540
54 HD2 PHE 7 HD2 PHE 7 19.446 -2.923 -5.259
55 HE1 PHE 7 HE1 PHE 7 19.759 1.506 -3.141
56 HE2 PHE 7 HE2 PHE 7 21.281 -1.400 -5.864
57 HZ PHE 7 HZ PHE 7 21.440 0.817 -4.804
58 H GLY 8 H GLY 8 13.974 -2.968 -5.418
59 HA2 GLY 8 HA2 GLY 8 13.461 -5.321 -3.806
60 HA3 GLY 8 HA3 GLY 8 12.344 -4.558 -4.928
61 H GLY 9 H GLY 9 15.244 -4.942 -6.489
62 HA2 GLY 9 HA2 GLY 9 16.023 -6.419 -8.067
63 HA3 GLY 9 HA3 GLY 9 15.216 -7.689 -7.158
64 H CYS 10 H CYS 10 14.022 -4.859 -8.965
65 HA CYS 10 HA CYS 10 11.935 -6.485 -10.141
66 HB2 CYS 10 HB2 CYS 10 11.013 -4.441 -10.960
67 HB3 CYS 10 HB3 CYS 10 11.581 -4.122 -9.324
68 H LYS 11 H LYS 11 11.496 -5.837 -12.589
69 HA LYS 11 HA LYS 11 14.022 -6.080 -14.078
70 HB2 LYS 11 HB2 LYS 11 11.498 -7.665 -14.591
71 HB3 LYS 11 HB3 LYS 11 12.952 -7.711 -15.580
72 HG2 LYS 11 HG2 LYS 11 14.079 -8.369 -13.293
73 HG3 LYS 11 HG3 LYS 11 12.437 -8.887 -12.902
74 HD2 LYS 11 HD2 LYS 11 13.978 -9.748 -15.350
75 HD3 LYS 11 HD3 LYS 11 13.834 -10.694 -13.867
76 HE2 LYS 11 HE2 LYS 11 11.480 -9.761 -15.499
77 HE3 LYS 11 HE3 LYS 11 12.243 -11.338 -15.694
78 HZ1 LYS 11 HZ1 LYS 11 11.423 -10.572 -12.999
79 HZ2 LYS 11 HZ2 LYS 11 11.403 -12.090 -13.746
80 HZ3 LYS 11 HZ3 LYS 11 10.194 -10.960 -14.096
81 H THR 12 H THR 12 10.616 -5.183 -14.107
82 HA THR 12 HA THR 12 11.211 -3.276 -16.264
83 HB THR 12 HB THR 12 8.763 -3.696 -17.003
84 HG1 THR 12 HG1 THR 12 8.299 -5.122 -15.216
85 HG21 THR 12 HG21 THR 12 9.598 -4.862 -18.752
86 HG22 THR 12 HG22 THR 12 10.345 -6.080 -17.717
87 HG23 THR 12 HG23 THR 12 11.145 -4.530 -17.974
88 H THR 13 H THR 13 9.614 -1.501 -16.398
89 HA THR 13 HA THR 13 9.284 -0.209 -13.952
90 HB THR 13 HB THR 13 7.560 0.366 -16.357
91 HG1 THR 13 HG1 THR 13 9.306 1.555 -17.172
92 HG21 THR 13 HG21 THR 13 8.236 1.724 -13.864
93 HG22 THR 13 HG22 THR 13 6.907 2.016 -14.986
94 HG23 THR 13 HG23 THR 13 8.491 2.728 -15.291
95 H ALA 14 H ALA 14 7.109 -2.307 -15.735
96 HA ALA 14 HA ALA 14 4.739 -1.753 -14.332
97 HB1 ALA 14 HB1 ALA 14 5.064 -3.093 -16.491
98 HB2 ALA 14 HB2 ALA 14 5.396 -4.465 -15.432
99 HB3 ALA 14 HB3 ALA 14 3.835 -3.647 -15.354
100 H ASP 15 H ASP 15 7.537 -3.617 -13.494
101 HA ASP 15 HA ASP 15 6.373 -5.258 -11.504
102 HB2 ASP 15 HB2 ASP 15 9.222 -4.282 -11.793
103 HB3 ASP 15 HB3 ASP 15 8.698 -5.568 -10.709
104 H CYS 16 H CYS 16 7.469 -1.958 -11.536
105 HA CYS 16 HA CYS 16 6.968 -1.770 -8.639
106 HB2 CYS 16 HB2 CYS 16 8.466 0.287 -10.246
107 HB3 CYS 16 HB3 CYS 16 8.498 0.016 -8.506
108 H CYS 17 H CYS 17 6.258 0.553 -8.022
109 HA CYS 17 HA CYS 17 3.889 1.139 -9.621
110 HB2 CYS 17 HB2 CYS 17 3.225 2.533 -7.665
111 HB3 CYS 17 HB3 CYS 17 3.511 0.845 -7.253
112 H LYS 18 H LYS 18 3.266 3.558 -9.641
113 HA LYS 18 HA LYS 18 4.962 4.937 -11.322
114 HB2 LYS 18 HB2 LYS 18 3.625 6.961 -10.729
115 HB3 LYS 18 HB3 LYS 18 2.649 5.561 -11.151
116 HG2 LYS 18 HG2 LYS 18 2.539 5.132 -8.621
117 HG3 LYS 18 HG3 LYS 18 3.095 6.800 -8.464
118 HD2 LYS 18 HD2 LYS 18 1.138 7.274 -10.151
119 HD3 LYS 18 HD3 LYS 18 0.515 5.745 -9.528
120 HE2 LYS 18 HE2 LYS 18 0.334 6.575 -7.348
121 HE3 LYS 18 HE3 LYS 18 1.403 7.937 -7.683
122 HZ1 LYS 18 HZ1 LYS 18 -1.029 7.810 -9.267
123 HZ2 LYS 18 HZ2 LYS 18 -0.264 9.143 -8.562
124 HZ3 LYS 18 HZ3 LYS 18 -1.243 8.135 -7.620
125 H HIS 19 H HIS 19 4.667 5.209 -7.801
126 HA HIS 19 HA HIS 19 6.355 7.351 -7.345
127 HB2 HIS 19 HB2 HIS 19 6.011 4.862 -5.661
128 HB3 HIS 19 HB3 HIS 19 6.743 6.365 -5.105
129 HD1 HIS 19 HD1 HIS 19 5.195 8.009 -4.074
130 HD2 HIS 19 HD2 HIS 19 3.183 5.228 -6.414
131 HE1 HIS 19 HE1 HIS 19 2.750 8.481 -3.725
132 H LEU 20 H LEU 20 7.135 4.042 -8.147
133 HA LEU 20 HA LEU 20 9.999 4.626 -7.849
134 HB2 LEU 20 HB2 LEU 20 8.669 1.962 -8.303
135 HB3 LEU 20 HB3 LEU 20 10.364 2.245 -7.912
136 HG LEU 20 HG LEU 20 8.312 3.181 -5.973
137 HD11 LEU 20 HD11 LEU 20 9.149 0.294 -6.202
138 HD12 LEU 20 HD12 LEU 20 7.557 0.924 -6.624
139 HD13 LEU 20 HD13 LEU 20 8.122 1.003 -4.955
140 HD21 LEU 20 HD21 LEU 20 10.195 3.540 -4.852
141 HD22 LEU 20 HD22 LEU 20 11.148 2.699 -6.075
142 HD23 LEU 20 HD23 LEU 20 10.410 1.792 -4.754
143 H GLY 21 H GLY 21 11.407 3.520 -9.546
144 HA2 GLY 21 HA2 GLY 21 10.145 3.486 -12.195
145 HA3 GLY 21 HA3 GLY 21 11.470 4.607 -11.918
146 H CYS 22 H CYS 22 10.566 1.231 -12.169
147 HA CYS 22 HA CYS 22 12.948 -0.040 -11.639
148 HB2 CYS 22 HB2 CYS 22 10.669 -1.034 -12.315
149 HB3 CYS 22 HB3 CYS 22 11.224 -0.841 -13.974
150 H ARG 23 H ARG 23 14.921 0.281 -12.402
151 HA ARG 23 HA ARG 23 15.334 1.638 -14.922
152 HB2 ARG 23 HB2 ARG 23 17.076 0.802 -12.641
153 HB3 ARG 23 HB3 ARG 23 17.820 1.156 -14.194
154 HG2 ARG 23 HG2 ARG 23 16.547 3.371 -14.093
155 HG3 ARG 23 HG3 ARG 23 16.291 2.992 -12.389
156 HD2 ARG 23 HD2 ARG 23 18.227 4.222 -12.276
157 HD3 ARG 23 HD3 ARG 23 18.876 2.588 -12.402
158 HE ARG 23 HE ARG 23 18.761 3.364 -14.974
159 HH11 ARG 23 HH11 ARG 23 20.056 4.878 -12.119
160 HH12 ARG 23 HH12 ARG 23 21.299 5.729 -12.975
161 HH21 ARG 23 HH21 ARG 23 20.393 4.479 -16.113
162 HH22 ARG 23 HH22 ARG 23 21.489 5.502 -15.247
163 H THR 24 H THR 24 16.357 0.808 -16.729
164 HA THR 24 HA THR 24 16.071 -2.044 -17.099
165 HB THR 24 HB THR 24 16.642 -1.626 -19.434
166 HG1 THR 24 HG1 THR 24 18.189 0.051 -19.074
167 HG21 THR 24 HG21 THR 24 14.568 -0.901 -19.850
168 HG22 THR 24 HG22 THR 24 14.897 0.676 -19.131
169 HG23 THR 24 HG23 THR 24 14.401 -0.673 -18.110
170 H ASP 25 H ASP 25 18.611 0.195 -16.433
171 HA ASP 25 HA ASP 25 20.683 -1.724 -17.187
172 HB2 ASP 25 HB2 ASP 25 20.873 0.737 -17.743
173 HB3 ASP 25 HB3 ASP 25 21.066 1.034 -16.017
174 H LEU 26 H LEU 26 19.318 -0.139 -14.353
175 HA LEU 26 HA LEU 26 21.173 -1.503 -12.577
176 HB2 LEU 26 HB2 LEU 26 19.005 0.530 -12.196
177 HB3 LEU 26 HB3 LEU 26 19.688 -0.334 -10.820
178 HG LEU 26 HG LEU 26 20.733 1.826 -11.023
179 HD11 LEU 26 HD11 LEU 26 22.670 0.951 -10.390
180 HD12 LEU 26 HD12 LEU 26 23.028 0.421 -12.033
181 HD13 LEU 26 HD13 LEU 26 22.091 -0.615 -10.957
182 HD21 LEU 26 HD21 LEU 26 20.313 1.687 -13.655
183 HD22 LEU 26 HD22 LEU 26 22.008 1.200 -13.620
184 HD23 LEU 26 HD23 LEU 26 21.521 2.752 -12.936
185 H TYR 27 H TYR 27 17.809 -1.650 -13.560
186 HA TYR 27 HA TYR 27 16.193 -3.220 -13.256
187 HB2 TYR 27 HB2 TYR 27 18.712 -4.723 -12.907
188 HB3 TYR 27 HB3 TYR 27 17.278 -5.488 -12.232
189 HD1 TYR 27 HD1 TYR 27 17.374 -3.356 -15.259
190 HD2 TYR 27 HD2 TYR 27 17.055 -7.311 -13.723
191 HE1 TYR 27 HE1 TYR 27 16.762 -4.170 -17.498
192 HE2 TYR 27 HE2 TYR 27 16.443 -8.136 -15.957
193 HH TYR 27 HH TYR 27 16.823 -7.363 -18.373
194 H TYR 28 H TYR 28 16.077 -1.435 -11.362
195 HA TYR 28 HA TYR 28 15.167 -2.912 -9.064
196 HB2 TYR 28 HB2 TYR 28 16.640 -2.167 -7.453
197 HB3 TYR 28 HB3 TYR 28 17.730 -2.348 -8.823
198 HD1 TYR 28 HD1 TYR 28 17.680 -0.081 -10.383
199 HD2 TYR 28 HD2 TYR 28 17.001 -0.284 -6.187
200 HE1 TYR 28 HE1 TYR 28 18.347 2.276 -10.167
201 HE2 TYR 28 HE2 TYR 28 17.665 2.073 -5.960
202 HH TYR 28 HH TYR 28 17.966 4.160 -8.589
203 H CYS 29 H CYS 29 13.684 -1.777 -7.831
204 HA CYS 29 HA CYS 29 12.353 0.365 -9.120
205 HB2 CYS 29 HB2 CYS 29 12.037 -0.656 -6.288
206 HB3 CYS 29 HB3 CYS 29 10.902 0.390 -7.136
207 H ALA 30 H ALA 30 12.997 2.405 -9.179
208 HA ALA 30 HA ALA 30 14.692 3.446 -7.029
209 HB1 ALA 30 HB1 ALA 30 15.607 3.764 -9.213
210 HB2 ALA 30 HB2 ALA 30 14.106 4.484 -9.796
211 HB3 ALA 30 HB3 ALA 30 15.090 5.338 -8.607
212 H TRP 31 H TRP 31 13.430 4.132 -5.387
213 HA TRP 31 HA TRP 31 10.871 5.295 -5.694
214 HB2 TRP 31 HB2 TRP 31 11.651 4.189 -3.614
215 HB3 TRP 31 HB3 TRP 31 12.766 5.526 -3.346
216 HD1 TRP 31 HD1 TRP 31 11.540 8.005 -2.966
217 HE1 TRP 31 HE1 TRP 31 9.350 8.536 -1.725
218 HE3 TRP 31 HE3 TRP 31 9.429 3.350 -3.018
219 HZ2 TRP 31 HZ2 TRP 31 7.033 7.164 -0.878
220 HZ3 TRP 31 HZ3 TRP 31 7.223 3.043 -1.971
221 HH2 TRP 31 HH2 TRP 31 6.052 4.912 -0.923
222 H ASP 32 H ASP 32 10.528 7.168 -6.690
223 HA ASP 32 HA ASP 32 11.976 9.527 -5.794
224 HB2 ASP 32 HB2 ASP 32 13.186 8.571 -7.811
225 HB3 ASP 32 HB3 ASP 32 11.743 8.949 -8.748
226 H GLY 33 H GLY 33 9.621 8.424 -8.243
227 HA2 GLY 33 HA2 GLY 33 7.333 8.993 -8.276
228 HA3 GLY 33 HA3 GLY 33 7.659 10.278 -7.122
229 H THR 34 H THR 34 10.002 11.112 -8.855
230 HA THR 34 HA THR 34 8.485 12.354 -11.050
231 HB THR 34 HB THR 34 9.973 14.405 -10.664
232 HG1 THR 34 HG1 THR 34 10.477 14.533 -8.293
233 HG21 THR 34 HG21 THR 34 7.456 13.762 -9.776
234 HG22 THR 34 HG22 THR 34 8.185 15.366 -9.705
235 HG23 THR 34 HG23 THR 34 8.256 14.302 -8.300
236 H PHE 35 H PHE 35 9.358 11.839 -12.937
237 HA PHE 35 HA PHE 35 12.282 11.519 -13.097
238 HB2 PHE 35 HB2 PHE 35 10.152 9.885 -14.488
239 HB3 PHE 35 HB3 PHE 35 11.869 9.798 -14.865
240 HD1 PHE 35 HD1 PHE 35 13.203 9.753 -12.348
241 HD2 PHE 35 HD2 PHE 35 9.500 7.957 -13.433
242 HE1 PHE 35 HE1 PHE 35 13.507 8.068 -10.581
243 HE2 PHE 35 HE2 PHE 35 9.797 6.270 -11.667
244 HZ PHE 35 HZ PHE 35 11.802 6.324 -10.238
Start of MODEL 2
1 H1 SER 1 H SER 1 2.017 1.823 -2.497
2 HA SER 1 HA SER 1 2.819 -0.039 -0.538
3 HB2 SER 1 HB2 SER 1 0.718 1.454 -0.589
4 HB3 SER 1 HB3 SER 1 -0.002 0.181 -1.574
5 HG SER 1 HG SER 1 0.607 -1.269 0.192
6 H GLU 2 H GLU 2 1.456 -0.420 -3.763
7 HA GLU 2 HA GLU 2 1.519 -3.335 -3.468
8 HB2 GLU 2 HB2 GLU 2 0.152 -1.453 -5.346
9 HB3 GLU 2 HB3 GLU 2 0.473 -3.099 -5.873
10 HG2 GLU 2 HG2 GLU 2 -0.680 -3.821 -3.710
11 HG3 GLU 2 HG3 GLU 2 -1.264 -2.160 -3.623
12 H CYS 3 H CYS 3 3.876 -1.473 -3.834
13 HA CYS 3 HA CYS 3 5.022 -2.847 -6.173
14 HB2 CYS 3 HB2 CYS 3 6.502 -0.739 -6.350
15 HB3 CYS 3 HB3 CYS 3 4.845 -0.641 -6.938
16 H ARG 4 H ARG 4 7.441 -2.931 -6.097
17 HA ARG 4 HA ARG 4 8.256 -3.901 -3.507
18 HB2 ARG 4 HB2 ARG 4 10.016 -3.654 -5.938
19 HB3 ARG 4 HB3 ARG 4 10.166 -4.779 -4.596
20 HG2 ARG 4 HG2 ARG 4 8.224 -5.991 -5.322
21 HG3 ARG 4 HG3 ARG 4 7.907 -4.798 -6.584
22 HD2 ARG 4 HD2 ARG 4 8.965 -6.447 -7.786
23 HD3 ARG 4 HD3 ARG 4 10.324 -5.406 -7.361
24 HE ARG 4 HE ARG 4 10.304 -7.174 -5.338
25 HH11 ARG 4 HH11 ARG 4 10.190 -7.569 -8.796
26 HH12 ARG 4 HH12 ARG 4 11.001 -9.100 -8.778
27 HH21 ARG 4 HH21 ARG 4 11.373 -9.189 -5.303
28 HH22 ARG 4 HH22 ARG 4 11.673 -10.021 -6.791
29 H TYR 5 H TYR 5 9.687 -2.995 -2.114
30 HA TYR 5 HA TYR 5 10.112 -0.200 -2.229
31 HB2 TYR 5 HB2 TYR 5 10.736 -2.394 -0.373
32 HB3 TYR 5 HB3 TYR 5 11.889 -1.064 -0.335
33 HD1 TYR 5 HD1 TYR 5 8.980 -2.274 1.108
34 HD2 TYR 5 HD2 TYR 5 10.675 1.348 -0.342
35 HE1 TYR 5 HE1 TYR 5 7.442 -0.991 2.535
36 HE2 TYR 5 HE2 TYR 5 9.143 2.643 1.081
37 HH TYR 5 HH TYR 5 7.837 2.045 3.398
38 H LEU 6 H LEU 6 12.385 0.721 -1.840
39 HA LEU 6 HA LEU 6 13.883 0.671 -4.098
40 HB2 LEU 6 HB2 LEU 6 14.090 2.106 -1.950
41 HB3 LEU 6 HB3 LEU 6 15.266 0.892 -1.452
42 HG LEU 6 HG LEU 6 16.306 1.478 -3.825
43 HD11 LEU 6 HD11 LEU 6 14.403 3.642 -3.267
44 HD12 LEU 6 HD12 LEU 6 15.126 3.127 -4.789
45 HD13 LEU 6 HD13 LEU 6 16.032 4.168 -3.692
46 HD21 LEU 6 HD21 LEU 6 17.074 1.823 -1.303
47 HD22 LEU 6 HD22 LEU 6 16.850 3.516 -1.743
48 HD23 LEU 6 HD23 LEU 6 17.965 2.506 -2.663
49 H PHE 7 H PHE 7 15.345 -0.613 -5.055
50 HA PHE 7 HA PHE 7 16.620 -2.439 -5.513
51 HB2 PHE 7 HB2 PHE 7 17.148 -2.044 -2.585
52 HB3 PHE 7 HB3 PHE 7 17.835 -3.427 -3.431
53 HD1 PHE 7 HD1 PHE 7 17.970 0.165 -2.938
54 HD2 PHE 7 HD2 PHE 7 19.472 -3.095 -5.225
55 HE1 PHE 7 HE1 PHE 7 19.824 1.577 -3.726
56 HE2 PHE 7 HE2 PHE 7 21.330 -1.688 -6.016
57 HZ PHE 7 HZ PHE 7 21.508 0.651 -5.266
58 H GLY 8 H GLY 8 14.020 -3.036 -5.517
59 HA2 GLY 8 HA2 GLY 8 13.534 -5.325 -3.778
60 HA3 GLY 8 HA3 GLY 8 12.388 -4.607 -4.902
61 H GLY 9 H GLY 9 15.162 -4.898 -6.609
62 HA2 GLY 9 HA2 GLY 9 15.998 -6.436 -8.106
63 HA3 GLY 9 HA3 GLY 9 15.187 -7.694 -7.185
64 H CYS 10 H CYS 10 13.990 -4.878 -9.010
65 HA CYS 10 HA CYS 10 11.910 -6.519 -10.181
66 HB2 CYS 10 HB2 CYS 10 10.998 -4.469 -11.035
67 HB3 CYS 10 HB3 CYS 10 11.506 -4.179 -9.375
68 H LYS 11 H LYS 11 11.466 -5.902 -12.627
69 HA LYS 11 HA LYS 11 13.995 -6.146 -14.112
70 HB2 LYS 11 HB2 LYS 11 11.451 -7.656 -14.733
71 HB3 LYS 11 HB3 LYS 11 12.981 -7.784 -15.590
72 HG2 LYS 11 HG2 LYS 11 12.775 -8.429 -12.672
73 HG3 LYS 11 HG3 LYS 11 12.374 -9.617 -13.913
74 HD2 LYS 11 HD2 LYS 11 14.973 -8.145 -14.046
75 HD3 LYS 11 HD3 LYS 11 14.793 -9.511 -12.942
76 HE2 LYS 11 HE2 LYS 11 13.950 -9.807 -15.789
77 HE3 LYS 11 HE3 LYS 11 15.666 -9.870 -15.387
78 HZ1 LYS 11 HZ1 LYS 11 15.253 -12.025 -15.028
79 HZ2 LYS 11 HZ2 LYS 11 13.583 -11.803 -14.879
80 HZ3 LYS 11 HZ3 LYS 11 14.595 -11.518 -13.554
81 H THR 12 H THR 12 10.628 -5.141 -14.104
82 HA THR 12 HA THR 12 11.256 -3.242 -16.254
83 HB THR 12 HB THR 12 8.976 -3.593 -17.204
84 HG1 THR 12 HG1 THR 12 7.651 -4.911 -16.219
85 HG21 THR 12 HG21 THR 12 11.098 -4.713 -18.057
86 HG22 THR 12 HG22 THR 12 9.570 -5.459 -18.527
87 HG23 THR 12 HG23 THR 12 10.535 -6.167 -17.233
88 H THR 13 H THR 13 9.634 -1.467 -16.395
89 HA THR 13 HA THR 13 9.314 -0.191 -13.932
90 HB THR 13 HB THR 13 7.645 0.412 -16.373
91 HG1 THR 13 HG1 THR 13 10.202 1.520 -15.855
92 HG21 THR 13 HG21 THR 13 8.750 2.639 -14.886
93 HG22 THR 13 HG22 THR 13 7.775 1.592 -13.856
94 HG23 THR 13 HG23 THR 13 7.075 2.295 -15.313
95 H ALA 14 H ALA 14 7.146 -2.266 -15.745
96 HA ALA 14 HA ALA 14 4.762 -1.702 -14.370
97 HB1 ALA 14 HB1 ALA 14 5.343 -4.443 -15.404
98 HB2 ALA 14 HB2 ALA 14 3.847 -3.510 -15.470
99 HB3 ALA 14 HB3 ALA 14 5.194 -3.090 -16.528
100 H ASP 15 H ASP 15 7.538 -3.584 -13.505
101 HA ASP 15 HA ASP 15 6.342 -5.221 -11.531
102 HB2 ASP 15 HB2 ASP 15 9.198 -4.269 -11.822
103 HB3 ASP 15 HB3 ASP 15 8.670 -5.518 -10.698
104 H CYS 16 H CYS 16 7.467 -1.931 -11.543
105 HA CYS 16 HA CYS 16 6.934 -1.744 -8.651
106 HB2 CYS 16 HB2 CYS 16 8.447 0.327 -10.219
107 HB3 CYS 16 HB3 CYS 16 8.487 0.007 -8.488
108 H CYS 17 H CYS 17 6.233 0.584 -8.038
109 HA CYS 17 HA CYS 17 3.888 1.192 -9.667
110 HB2 CYS 17 HB2 CYS 17 3.188 2.558 -7.713
111 HB3 CYS 17 HB3 CYS 17 3.482 0.873 -7.301
112 H LYS 18 H LYS 18 3.280 3.617 -9.665
113 HA LYS 18 HA LYS 18 5.001 5.004 -11.311
114 HB2 LYS 18 HB2 LYS 18 3.674 7.023 -10.736
115 HB3 LYS 18 HB3 LYS 18 2.676 5.627 -11.123
116 HG2 LYS 18 HG2 LYS 18 2.738 5.286 -8.513
117 HG3 LYS 18 HG3 LYS 18 3.073 7.019 -8.531
118 HD2 LYS 18 HD2 LYS 18 1.021 7.539 -9.464
119 HD3 LYS 18 HD3 LYS 18 0.811 5.926 -10.151
120 HE2 LYS 18 HE2 LYS 18 0.784 5.204 -7.628
121 HE3 LYS 18 HE3 LYS 18 0.337 6.890 -7.366
122 HZ1 LYS 18 HZ1 LYS 18 -1.465 5.054 -7.786
123 HZ2 LYS 18 HZ2 LYS 18 -1.116 5.376 -9.409
124 HZ3 LYS 18 HZ3 LYS 18 -1.658 6.619 -8.397
125 H HIS 19 H HIS 19 4.702 5.200 -7.788
126 HA HIS 19 HA HIS 19 6.390 7.333 -7.281
127 HB2 HIS 19 HB2 HIS 19 6.154 4.813 -5.623
128 HB3 HIS 19 HB3 HIS 19 6.706 6.387 -5.059
129 HD1 HIS 19 HD1 HIS 19 4.343 5.057 -3.676
130 HD2 HIS 19 HD2 HIS 19 3.951 7.694 -6.862
131 HE1 HIS 19 HE1 HIS 19 2.011 5.982 -3.499
132 H LEU 20 H LEU 20 7.169 4.039 -8.152
133 HA LEU 20 HA LEU 20 10.034 4.635 -7.870
134 HB2 LEU 20 HB2 LEU 20 8.760 1.947 -8.327
135 HB3 LEU 20 HB3 LEU 20 10.428 2.279 -7.867
136 HG LEU 20 HG LEU 20 8.295 3.180 -6.010
137 HD11 LEU 20 HD11 LEU 20 9.103 0.293 -6.322
138 HD12 LEU 20 HD12 LEU 20 7.502 0.969 -6.617
139 HD13 LEU 20 HD13 LEU 20 8.166 0.958 -4.983
140 HD21 LEU 20 HD21 LEU 20 10.384 1.755 -4.765
141 HD22 LEU 20 HD22 LEU 20 10.103 3.497 -4.765
142 HD23 LEU 20 HD23 LEU 20 11.122 2.768 -6.006
143 H GLY 21 H GLY 21 11.428 3.525 -9.576
144 HA2 GLY 21 HA2 GLY 21 10.134 3.456 -12.208
145 HA3 GLY 21 HA3 GLY 21 11.448 4.597 -11.959
146 H CYS 22 H CYS 22 10.585 1.209 -12.175
147 HA CYS 22 HA CYS 22 12.981 -0.035 -11.658
148 HB2 CYS 22 HB2 CYS 22 10.706 -1.048 -12.332
149 HB3 CYS 22 HB3 CYS 22 11.268 -0.861 -13.990
150 H ARG 23 H ARG 23 14.948 0.302 -12.428
151 HA ARG 23 HA ARG 23 15.345 1.668 -14.946
152 HB2 ARG 23 HB2 ARG 23 17.089 0.844 -12.666
153 HB3 ARG 23 HB3 ARG 23 17.839 1.174 -14.222
154 HG2 ARG 23 HG2 ARG 23 16.648 3.403 -14.177
155 HG3 ARG 23 HG3 ARG 23 16.257 3.050 -12.491
156 HD2 ARG 23 HD2 ARG 23 18.204 4.174 -12.163
157 HD3 ARG 23 HD3 ARG 23 18.869 2.559 -12.402
158 HE ARG 23 HE ARG 23 18.848 3.550 -14.901
159 HH11 ARG 23 HH11 ARG 23 20.020 4.822 -11.880
160 HH12 ARG 23 HH12 ARG 23 21.289 5.748 -12.612
161 HH21 ARG 23 HH21 ARG 23 20.514 4.763 -15.877
162 HH22 ARG 23 HH22 ARG 23 21.569 5.714 -14.886
163 H THR 24 H THR 24 16.383 0.853 -16.755
164 HA THR 24 HA THR 24 16.095 -1.996 -17.147
165 HB THR 24 HB THR 24 16.705 -1.551 -19.480
166 HG1 THR 24 HG1 THR 24 17.894 0.149 -19.859
167 HG21 THR 24 HG21 THR 24 14.456 -1.243 -19.389
168 HG22 THR 24 HG22 THR 24 14.906 0.420 -19.764
169 HG23 THR 24 HG23 THR 24 14.562 -0.047 -18.099
170 H ASP 25 H ASP 25 18.636 0.235 -16.458
171 HA ASP 25 HA ASP 25 20.706 -1.680 -17.219
172 HB2 ASP 25 HB2 ASP 25 20.972 0.727 -17.803
173 HB3 ASP 25 HB3 ASP 25 21.012 1.107 -16.083
174 H LEU 26 H LEU 26 19.327 -0.122 -14.379
175 HA LEU 26 HA LEU 26 21.176 -1.498 -12.606
176 HB2 LEU 26 HB2 LEU 26 19.009 0.533 -12.217
177 HB3 LEU 26 HB3 LEU 26 19.688 -0.340 -10.845
178 HG LEU 26 HG LEU 26 20.736 1.819 -11.028
179 HD11 LEU 26 HD11 LEU 26 22.882 0.086 -12.108
180 HD12 LEU 26 HD12 LEU 26 22.052 -0.456 -10.650
181 HD13 LEU 26 HD13 LEU 26 22.862 1.110 -10.672
182 HD21 LEU 26 HD21 LEU 26 21.979 1.188 -13.649
183 HD22 LEU 26 HD22 LEU 26 21.574 2.748 -12.932
184 HD23 LEU 26 HD23 LEU 26 20.307 1.747 -13.644
185 H TYR 27 H TYR 27 17.811 -1.626 -13.593
186 HA TYR 27 HA TYR 27 16.190 -3.195 -13.304
187 HB2 TYR 27 HB2 TYR 27 18.706 -4.709 -12.977
188 HB3 TYR 27 HB3 TYR 27 17.271 -5.477 -12.308
189 HD1 TYR 27 HD1 TYR 27 17.389 -3.316 -15.315
190 HD2 TYR 27 HD2 TYR 27 17.021 -7.280 -13.813
191 HE1 TYR 27 HE1 TYR 27 16.768 -4.103 -17.561
192 HE2 TYR 27 HE2 TYR 27 16.400 -8.078 -16.055
193 HH TYR 27 HH TYR 27 16.966 -6.539 -18.777
194 H TYR 28 H TYR 28 16.084 -1.432 -11.389
195 HA TYR 28 HA TYR 28 15.175 -2.933 -9.107
196 HB2 TYR 28 HB2 TYR 28 16.650 -2.207 -7.489
197 HB3 TYR 28 HB3 TYR 28 17.738 -2.374 -8.863
198 HD1 TYR 28 HD1 TYR 28 17.682 -0.089 -10.401
199 HD2 TYR 28 HD2 TYR 28 17.023 -0.339 -6.204
200 HE1 TYR 28 HE1 TYR 28 18.352 2.265 -10.161
201 HE2 TYR 28 HE2 TYR 28 17.690 2.014 -5.954
202 HH TYR 28 HH TYR 28 18.975 3.697 -7.117
203 H CYS 29 H CYS 29 13.698 -1.808 -7.854
204 HA CYS 29 HA CYS 29 12.374 0.358 -9.120
205 HB2 CYS 29 HB2 CYS 29 12.036 -0.720 -6.312
206 HB3 CYS 29 HB3 CYS 29 10.911 0.349 -7.144
207 H ALA 30 H ALA 30 13.023 2.397 -9.134
208 HA ALA 30 HA ALA 30 14.691 3.393 -6.940
209 HB1 ALA 30 HB1 ALA 30 15.535 3.645 -9.241
210 HB2 ALA 30 HB2 ALA 30 14.138 4.652 -9.623
211 HB3 ALA 30 HB3 ALA 30 15.316 5.195 -8.428
212 H TRP 31 H TRP 31 13.393 4.067 -5.321
213 HA TRP 31 HA TRP 31 10.852 5.247 -5.662
214 HB2 TRP 31 HB2 TRP 31 11.569 4.144 -3.573
215 HB3 TRP 31 HB3 TRP 31 12.724 5.443 -3.294
216 HD1 TRP 31 HD1 TRP 31 11.548 7.974 -2.978
217 HE1 TRP 31 HE1 TRP 31 9.376 8.570 -1.731
218 HE3 TRP 31 HE3 TRP 31 9.355 3.358 -2.919
219 HZ2 TRP 31 HZ2 TRP 31 7.042 7.256 -0.841
220 HZ3 TRP 31 HZ3 TRP 31 7.152 3.112 -1.849
221 HH2 TRP 31 HH2 TRP 31 6.022 5.022 -0.832
222 H ASP 32 H ASP 32 10.541 7.116 -6.682
223 HA ASP 32 HA ASP 32 11.998 9.469 -5.768
224 HB2 ASP 32 HB2 ASP 32 13.187 8.514 -7.794
225 HB3 ASP 32 HB3 ASP 32 11.738 8.894 -8.720
226 H GLY 33 H GLY 33 9.613 8.391 -8.198
227 HA2 GLY 33 HA2 GLY 33 7.316 8.973 -8.151
228 HA3 GLY 33 HA3 GLY 33 7.703 10.309 -7.076
229 H THR 34 H THR 34 10.001 11.007 -8.923
230 HA THR 34 HA THR 34 8.420 12.200 -11.104
231 HB THR 34 HB THR 34 9.613 14.277 -10.914
232 HG1 THR 34 HG1 THR 34 11.609 13.938 -10.201
233 HG21 THR 34 HG21 THR 34 7.664 13.971 -9.429
234 HG22 THR 34 HG22 THR 34 8.864 15.065 -8.739
235 HG23 THR 34 HG23 THR 34 8.744 13.405 -8.155
236 H PHE 35 H PHE 35 9.423 12.402 -13.088
237 HA PHE 35 HA PHE 35 12.115 11.229 -13.313
238 HB2 PHE 35 HB2 PHE 35 9.744 10.771 -15.134
239 HB3 PHE 35 HB3 PHE 35 11.386 10.237 -15.483
240 HD1 PHE 35 HD1 PHE 35 12.188 8.210 -14.651
241 HD2 PHE 35 HD2 PHE 35 8.604 9.869 -13.064
242 HE1 PHE 35 HE1 PHE 35 11.772 6.122 -13.416
243 HE2 PHE 35 HE2 PHE 35 8.183 7.784 -11.825
244 HZ PHE 35 HZ PHE 35 9.768 5.907 -12.002
Start of MODEL 3
1 H1 SER 1 H SER 1 0.908 -0.468 0.300
2 HA SER 1 HA SER 1 1.906 0.834 -2.149
3 HB2 SER 1 HB2 SER 1 3.635 -0.619 -0.142
4 HB3 SER 1 HB3 SER 1 4.161 0.390 -1.490
5 HG SER 1 HG SER 1 3.822 2.125 -0.330
6 H GLU 2 H GLU 2 1.479 -0.434 -3.827
7 HA GLU 2 HA GLU 2 1.531 -3.346 -3.468
8 HB2 GLU 2 HB2 GLU 2 0.429 -1.759 -5.791
9 HB3 GLU 2 HB3 GLU 2 0.232 -3.483 -5.509
10 HG2 GLU 2 HG2 GLU 2 -0.707 -2.164 -3.204
11 HG3 GLU 2 HG3 GLU 2 -1.375 -1.314 -4.597
12 H CYS 3 H CYS 3 3.867 -1.464 -3.861
13 HA CYS 3 HA CYS 3 5.030 -2.852 -6.186
14 HB2 CYS 3 HB2 CYS 3 6.505 -0.741 -6.361
15 HB3 CYS 3 HB3 CYS 3 4.849 -0.647 -6.953
16 H ARG 4 H ARG 4 7.446 -2.935 -6.101
17 HA ARG 4 HA ARG 4 8.254 -3.898 -3.506
18 HB2 ARG 4 HB2 ARG 4 10.024 -3.652 -5.930
19 HB3 ARG 4 HB3 ARG 4 10.167 -4.777 -4.587
20 HG2 ARG 4 HG2 ARG 4 8.233 -5.992 -5.321
21 HG3 ARG 4 HG3 ARG 4 7.915 -4.799 -6.581
22 HD2 ARG 4 HD2 ARG 4 8.980 -6.444 -7.784
23 HD3 ARG 4 HD3 ARG 4 10.336 -5.400 -7.354
24 HE ARG 4 HE ARG 4 10.317 -7.171 -5.335
25 HH11 ARG 4 HH11 ARG 4 10.205 -7.564 -8.792
26 HH12 ARG 4 HH12 ARG 4 11.017 -9.095 -8.775
27 HH21 ARG 4 HH21 ARG 4 11.386 -9.185 -5.300
28 HH22 ARG 4 HH22 ARG 4 11.688 -10.016 -6.788
29 H TYR 5 H TYR 5 9.695 -2.996 -2.117
30 HA TYR 5 HA TYR 5 10.110 -0.197 -2.230
31 HB2 TYR 5 HB2 TYR 5 10.735 -2.388 -0.372
32 HB3 TYR 5 HB3 TYR 5 11.887 -1.060 -0.335
33 HD1 TYR 5 HD1 TYR 5 8.973 -2.269 1.103
34 HD2 TYR 5 HD2 TYR 5 10.675 1.352 -0.342
35 HE1 TYR 5 HE1 TYR 5 7.434 -0.984 2.528
36 HE2 TYR 5 HE2 TYR 5 9.142 2.647 1.079
37 HH TYR 5 HH TYR 5 6.460 1.238 2.650
38 H LEU 6 H LEU 6 12.383 0.728 -1.838
39 HA LEU 6 HA LEU 6 13.882 0.679 -4.095
40 HB2 LEU 6 HB2 LEU 6 14.084 2.115 -1.946
41 HB3 LEU 6 HB3 LEU 6 15.263 0.903 -1.449
42 HG LEU 6 HG LEU 6 16.309 1.488 -3.816
43 HD11 LEU 6 HD11 LEU 6 14.391 3.646 -3.276
44 HD12 LEU 6 HD12 LEU 6 15.120 3.123 -4.794
45 HD13 LEU 6 HD13 LEU 6 16.018 4.176 -3.701
46 HD21 LEU 6 HD21 LEU 6 17.278 1.710 -1.487
47 HD22 LEU 6 HD22 LEU 6 16.691 3.373 -1.503
48 HD23 LEU 6 HD23 LEU 6 17.880 2.845 -2.695
49 H PHE 7 H PHE 7 15.346 -0.605 -5.052
50 HA PHE 7 HA PHE 7 16.624 -2.429 -5.507
51 HB2 PHE 7 HB2 PHE 7 17.149 -2.032 -2.578
52 HB3 PHE 7 HB3 PHE 7 17.840 -3.412 -3.424
53 HD1 PHE 7 HD1 PHE 7 17.969 0.178 -2.926
54 HD2 PHE 7 HD2 PHE 7 19.475 -3.073 -5.223
55 HE1 PHE 7 HE1 PHE 7 19.821 1.595 -3.712
56 HE2 PHE 7 HE2 PHE 7 21.328 -1.662 -6.012
57 HZ PHE 7 HZ PHE 7 21.504 0.676 -5.257
58 H GLY 8 H GLY 8 14.027 -3.031 -5.514
59 HA2 GLY 8 HA2 GLY 8 13.542 -5.319 -3.773
60 HA3 GLY 8 HA3 GLY 8 12.397 -4.605 -4.898
61 H GLY 9 H GLY 9 15.173 -4.892 -6.601
62 HA2 GLY 9 HA2 GLY 9 16.014 -6.432 -8.096
63 HA3 GLY 9 HA3 GLY 9 15.201 -7.690 -7.176
64 H CYS 10 H CYS 10 14.006 -4.874 -9.002
65 HA CYS 10 HA CYS 10 11.932 -6.518 -10.181
66 HB2 CYS 10 HB2 CYS 10 11.007 -4.474 -11.020
67 HB3 CYS 10 HB3 CYS 10 11.533 -4.173 -9.366
68 H LYS 11 H LYS 11 11.494 -5.872 -12.629
69 HA LYS 11 HA LYS 11 14.026 -6.099 -14.111
70 HB2 LYS 11 HB2 LYS 11 11.506 -7.653 -14.724
71 HB3 LYS 11 HB3 LYS 11 13.033 -7.754 -15.590
72 HG2 LYS 11 HG2 LYS 11 12.736 -8.460 -12.683
73 HG3 LYS 11 HG3 LYS 11 12.565 -9.629 -13.995
74 HD2 LYS 11 HD2 LYS 11 14.853 -9.039 -14.751
75 HD3 LYS 11 HD3 LYS 11 15.011 -7.984 -13.345
76 HE2 LYS 11 HE2 LYS 11 16.036 -9.964 -12.668
77 HE3 LYS 11 HE3 LYS 11 14.422 -10.072 -11.969
78 HZ1 LYS 11 HZ1 LYS 11 15.532 -12.026 -13.370
79 HZ2 LYS 11 HZ2 LYS 11 14.752 -11.205 -14.627
80 HZ3 LYS 11 HZ3 LYS 11 13.860 -11.777 -13.309
81 H THR 12 H THR 12 10.632 -5.171 -14.123
82 HA THR 12 HA THR 12 11.233 -3.268 -16.281
83 HB THR 12 HB THR 12 8.799 -3.668 -17.043
84 HG1 THR 12 HG1 THR 12 7.802 -5.382 -16.264
85 HG21 THR 12 HG21 THR 12 10.766 -5.900 -17.543
86 HG22 THR 12 HG22 THR 12 10.885 -4.304 -18.286
87 HG23 THR 12 HG23 THR 12 9.489 -5.330 -18.618
88 H THR 13 H THR 13 9.624 -1.494 -16.414
89 HA THR 13 HA THR 13 9.304 -0.210 -13.958
90 HB THR 13 HB THR 13 7.603 0.385 -16.375
91 HG1 THR 13 HG1 THR 13 9.612 0.380 -17.241
92 HG21 THR 13 HG21 THR 13 8.706 2.665 -15.056
93 HG22 THR 13 HG22 THR 13 7.952 1.620 -13.853
94 HG23 THR 13 HG23 THR 13 7.013 2.199 -15.228
95 H ALA 14 H ALA 14 7.136 -2.302 -15.748
96 HA ALA 14 HA ALA 14 4.756 -1.738 -14.365
97 HB1 ALA 14 HB1 ALA 14 3.839 -3.541 -15.463
98 HB2 ALA 14 HB2 ALA 14 5.196 -3.145 -16.519
99 HB3 ALA 14 HB3 ALA 14 5.327 -4.485 -15.381
100 H ASP 15 H ASP 15 7.545 -3.604 -13.503
101 HA ASP 15 HA ASP 15 6.364 -5.239 -11.518
102 HB2 ASP 15 HB2 ASP 15 9.215 -4.272 -11.819
103 HB3 ASP 15 HB3 ASP 15 8.696 -5.523 -10.694
104 H CYS 16 H CYS 16 7.469 -1.943 -11.547
105 HA CYS 16 HA CYS 16 6.940 -1.747 -8.656
106 HB2 CYS 16 HB2 CYS 16 8.451 0.320 -10.232
107 HB3 CYS 16 HB3 CYS 16 8.489 0.009 -8.500
108 H CYS 17 H CYS 17 6.236 0.583 -8.052
109 HA CYS 17 HA CYS 17 3.890 1.180 -9.684
110 HB2 CYS 17 HB2 CYS 17 3.189 2.556 -7.734
111 HB3 CYS 17 HB3 CYS 17 3.480 0.869 -7.319
112 H LYS 18 H LYS 18 3.278 3.606 -9.685
113 HA LYS 18 HA LYS 18 4.997 4.990 -11.336
114 HB2 LYS 18 HB2 LYS 18 3.671 7.019 -10.737
115 HB3 LYS 18 HB3 LYS 18 2.685 5.629 -11.173
116 HG2 LYS 18 HG2 LYS 18 2.545 5.180 -8.654
117 HG3 LYS 18 HG3 LYS 18 3.139 6.832 -8.468
118 HD2 LYS 18 HD2 LYS 18 1.238 7.531 -9.999
119 HD3 LYS 18 HD3 LYS 18 0.592 5.904 -9.776
120 HE2 LYS 18 HE2 LYS 18 -0.515 7.055 -8.121
121 HE3 LYS 18 HE3 LYS 18 0.887 6.452 -7.238
122 HZ1 LYS 18 HZ1 LYS 18 0.093 9.030 -7.323
123 HZ2 LYS 18 HZ2 LYS 18 1.316 9.007 -8.492
124 HZ3 LYS 18 HZ3 LYS 18 1.649 8.509 -6.910
125 H HIS 19 H HIS 19 4.693 5.205 -7.815
126 HA HIS 19 HA HIS 19 6.381 7.338 -7.316
127 HB2 HIS 19 HB2 HIS 19 6.120 4.823 -5.655
128 HB3 HIS 19 HB3 HIS 19 6.714 6.381 -5.090
129 HD1 HIS 19 HD1 HIS 19 4.311 5.076 -3.721
130 HD2 HIS 19 HD2 HIS 19 3.997 7.792 -6.848
131 HE1 HIS 19 HE1 HIS 19 2.008 6.067 -3.522
132 H LEU 20 H LEU 20 7.162 4.041 -8.172
133 HA LEU 20 HA LEU 20 10.027 4.636 -7.887
134 HB2 LEU 20 HB2 LEU 20 8.747 1.949 -8.339
135 HB3 LEU 20 HB3 LEU 20 10.418 2.277 -7.887
136 HG LEU 20 HG LEU 20 8.292 3.185 -6.024
137 HD11 LEU 20 HD11 LEU 20 9.103 0.297 -6.322
138 HD12 LEU 20 HD12 LEU 20 7.502 0.968 -6.630
139 HD13 LEU 20 HD13 LEU 20 8.158 0.968 -4.994
140 HD21 LEU 20 HD21 LEU 20 10.393 1.759 -4.792
141 HD22 LEU 20 HD22 LEU 20 10.099 3.499 -4.777
142 HD23 LEU 20 HD23 LEU 20 11.116 2.785 -6.029
143 H GLY 21 H GLY 21 11.424 3.524 -9.589
144 HA2 GLY 21 HA2 GLY 21 10.135 3.457 -12.224
145 HA3 GLY 21 HA3 GLY 21 11.453 4.592 -11.971
146 H CYS 22 H CYS 22 10.578 1.207 -12.189
147 HA CYS 22 HA CYS 22 12.968 -0.044 -11.668
148 HB2 CYS 22 HB2 CYS 22 10.691 -1.051 -12.342
149 HB3 CYS 22 HB3 CYS 22 11.254 -0.866 -14.000
150 H ARG 23 H ARG 23 14.938 0.285 -12.435
151 HA ARG 23 HA ARG 23 15.341 1.647 -14.954
152 HB2 ARG 23 HB2 ARG 23 17.082 0.819 -12.673
153 HB3 ARG 23 HB3 ARG 23 17.832 1.151 -14.228
154 HG2 ARG 23 HG2 ARG 23 16.659 3.382 -14.185
155 HG3 ARG 23 HG3 ARG 23 16.243 3.028 -12.506
156 HD2 ARG 23 HD2 ARG 23 18.189 4.128 -12.130
157 HD3 ARG 23 HD3 ARG 23 18.860 2.520 -12.402
158 HE ARG 23 HE ARG 23 18.851 3.568 -14.878
159 HH11 ARG 23 HH11 ARG 23 20.002 4.774 -11.822
160 HH12 ARG 23 HH12 ARG 23 21.272 5.720 -12.524
161 HH21 ARG 23 HH21 ARG 23 20.520 4.809 -15.815
162 HH22 ARG 23 HH22 ARG 23 21.565 5.739 -14.797
163 H THR 24 H THR 24 16.377 0.825 -16.763
164 HA THR 24 HA THR 24 16.084 -2.024 -17.146
165 HB THR 24 HB THR 24 16.674 -1.593 -19.480
166 HG1 THR 24 HG1 THR 24 17.401 0.918 -18.424
167 HG21 THR 24 HG21 THR 24 14.457 -1.201 -19.487
168 HG22 THR 24 HG22 THR 24 14.923 0.489 -19.674
169 HG23 THR 24 HG23 THR 24 14.541 -0.149 -18.075
170 H ASP 25 H ASP 25 18.629 0.206 -16.467
171 HA ASP 25 HA ASP 25 20.697 -1.715 -17.223
172 HB2 ASP 25 HB2 ASP 25 20.764 0.863 -17.644
173 HB3 ASP 25 HB3 ASP 25 21.257 0.945 -15.954
174 H LEU 26 H LEU 26 19.319 -0.147 -14.387
175 HA LEU 26 HA LEU 26 21.169 -1.520 -12.611
176 HB2 LEU 26 HB2 LEU 26 19.003 0.514 -12.225
177 HB3 LEU 26 HB3 LEU 26 19.686 -0.355 -10.852
178 HG LEU 26 HG LEU 26 20.733 1.804 -11.046
179 HD11 LEU 26 HD11 LEU 26 22.682 -0.258 -12.049
180 HD12 LEU 26 HD12 LEU 26 22.087 -0.197 -10.391
181 HD13 LEU 26 HD13 LEU 26 23.020 1.150 -11.042
182 HD21 LEU 26 HD21 LEU 26 20.292 1.740 -13.651
183 HD22 LEU 26 HD22 LEU 26 21.956 1.153 -13.676
184 HD23 LEU 26 HD23 LEU 26 21.583 2.719 -12.956
185 H TYR 27 H TYR 27 17.802 -1.645 -13.593
186 HA TYR 27 HA TYR 27 16.179 -3.210 -13.298
187 HB2 TYR 27 HB2 TYR 27 18.693 -4.728 -12.974
188 HB3 TYR 27 HB3 TYR 27 17.258 -5.492 -12.298
189 HD1 TYR 27 HD1 TYR 27 17.383 -3.341 -15.315
190 HD2 TYR 27 HD2 TYR 27 16.985 -7.295 -13.795
191 HE1 TYR 27 HE1 TYR 27 16.755 -4.134 -17.557
192 HE2 TYR 27 HE2 TYR 27 16.358 -8.099 -16.033
193 HH TYR 27 HH TYR 27 16.272 -5.898 -18.818
194 H TYR 28 H TYR 28 16.082 -1.441 -11.386
195 HA TYR 28 HA TYR 28 15.175 -2.937 -9.099
196 HB2 TYR 28 HB2 TYR 28 16.653 -2.206 -7.487
197 HB3 TYR 28 HB3 TYR 28 17.739 -2.376 -8.862
198 HD1 TYR 28 HD1 TYR 28 17.684 -0.098 -10.404
199 HD2 TYR 28 HD2 TYR 28 17.021 -0.333 -6.208
200 HE1 TYR 28 HE1 TYR 28 18.353 2.258 -10.173
201 HE2 TYR 28 HE2 TYR 28 17.687 2.023 -5.965
202 HH TYR 28 HH TYR 28 19.153 3.791 -8.530
203 H CYS 29 H CYS 29 13.696 -1.812 -7.851
204 HA CYS 29 HA CYS 29 12.372 0.352 -9.119
205 HB2 CYS 29 HB2 CYS 29 12.035 -0.723 -6.310
206 HB3 CYS 29 HB3 CYS 29 10.911 0.347 -7.140
207 H ALA 30 H ALA 30 13.020 2.391 -9.138
208 HA ALA 30 HA ALA 30 14.689 3.392 -6.946
209 HB1 ALA 30 HB1 ALA 30 15.308 5.194 -8.437
210 HB2 ALA 30 HB2 ALA 30 15.532 3.643 -9.247
211 HB3 ALA 30 HB3 ALA 30 14.132 4.645 -9.632
212 H TRP 31 H TRP 31 13.392 4.067 -5.326
213 HA TRP 31 HA TRP 31 10.850 5.248 -5.671
214 HB2 TRP 31 HB2 TRP 31 11.564 4.142 -3.581
215 HB3 TRP 31 HB3 TRP 31 12.720 5.441 -3.299
216 HD1 TRP 31 HD1 TRP 31 11.544 7.972 -2.981
217 HE1 TRP 31 HE1 TRP 31 9.371 8.566 -1.738
218 HE3 TRP 31 HE3 TRP 31 9.348 3.355 -2.933
219 HZ2 TRP 31 HZ2 TRP 31 7.034 7.252 -0.853
220 HZ3 TRP 31 HZ3 TRP 31 7.144 3.109 -1.867
221 HH2 TRP 31 HH2 TRP 31 6.012 5.018 -0.849
222 H ASP 32 H ASP 32 10.542 7.118 -6.688
223 HA ASP 32 HA ASP 32 12.009 9.467 -5.773
224 HB2 ASP 32 HB2 ASP 32 13.177 8.509 -7.814
225 HB3 ASP 32 HB3 ASP 32 11.722 8.904 -8.726
226 H GLY 33 H GLY 33 9.604 8.404 -8.191
227 HA2 GLY 33 HA2 GLY 33 7.319 8.997 -8.172
228 HA3 GLY 33 HA3 GLY 33 7.686 10.282 -7.032
229 H THR 34 H THR 34 10.002 11.078 -8.816
230 HA THR 34 HA THR 34 8.416 12.424 -10.906
231 HB THR 34 HB THR 34 10.037 14.339 -10.686
232 HG1 THR 34 HG1 THR 34 10.993 14.322 -8.430
233 HG21 THR 34 HG21 THR 34 9.017 14.735 -8.152
234 HG22 THR 34 HG22 THR 34 7.892 13.579 -8.865
235 HG23 THR 34 HG23 THR 34 8.201 15.119 -9.666
236 H PHE 35 H PHE 35 9.210 12.405 -12.937
237 HA PHE 35 HA PHE 35 11.919 11.318 -13.335
238 HB2 PHE 35 HB2 PHE 35 9.421 10.708 -14.928
239 HB3 PHE 35 HB3 PHE 35 11.045 10.216 -15.399
240 HD1 PHE 35 HD1 PHE 35 11.945 8.221 -14.620
241 HD2 PHE 35 HD2 PHE 35 8.543 9.885 -12.677
242 HE1 PHE 35 HE1 PHE 35 11.715 6.174 -13.274
243 HE2 PHE 35 HE2 PHE 35 8.309 7.842 -11.327
244 HZ PHE 35 HZ PHE 35 9.896 5.982 -11.626
Start of MODEL 4
1 H1 SER 1 H SER 1 0.455 1.508 -2.510
2 HA SER 1 HA SER 1 -0.395 -0.357 -4.545
3 HB2 SER 1 HB2 SER 1 0.588 1.534 -5.852
4 HB3 SER 1 HB3 SER 1 2.116 1.270 -5.011
5 HG SER 1 HG SER 1 0.765 -0.687 -6.562
6 H GLU 2 H GLU 2 0.870 -2.258 -4.608
7 HA GLU 2 HA GLU 2 2.446 -2.660 -2.174
8 HB2 GLU 2 HB2 GLU 2 0.443 -4.151 -3.050
9 HB3 GLU 2 HB3 GLU 2 1.714 -4.902 -4.005
10 HG2 GLU 2 HG2 GLU 2 2.963 -5.079 -1.742
11 HG3 GLU 2 HG3 GLU 2 1.362 -4.844 -1.043
12 H CYS 3 H CYS 3 3.373 -1.368 -4.747
13 HA CYS 3 HA CYS 3 5.077 -2.942 -6.227
14 HB2 CYS 3 HB2 CYS 3 6.480 -0.820 -6.450
15 HB3 CYS 3 HB3 CYS 3 4.788 -0.701 -6.922
16 H ARG 4 H ARG 4 7.427 -3.154 -6.154
17 HA ARG 4 HA ARG 4 8.291 -4.032 -3.559
18 HB2 ARG 4 HB2 ARG 4 10.035 -3.836 -6.004
19 HB3 ARG 4 HB3 ARG 4 10.169 -4.955 -4.654
20 HG2 ARG 4 HG2 ARG 4 8.167 -6.110 -5.369
21 HG3 ARG 4 HG3 ARG 4 7.939 -4.948 -6.678
22 HD2 ARG 4 HD2 ARG 4 9.067 -6.435 -7.920
23 HD3 ARG 4 HD3 ARG 4 10.494 -5.781 -7.120
24 HE ARG 4 HE ARG 4 10.754 -7.799 -6.102
25 HH11 ARG 4 HH11 ARG 4 7.417 -7.461 -7.032
26 HH12 ARG 4 HH12 ARG 4 6.976 -9.056 -6.516
27 HH21 ARG 4 HH21 ARG 4 10.187 -9.900 -5.419
28 HH22 ARG 4 HH22 ARG 4 8.552 -10.442 -5.598
29 H TYR 5 H TYR 5 9.515 -2.979 -2.127
30 HA TYR 5 HA TYR 5 10.024 -0.235 -2.343
31 HB2 TYR 5 HB2 TYR 5 10.636 -2.375 -0.423
32 HB3 TYR 5 HB3 TYR 5 11.791 -1.048 -0.415
33 HD1 TYR 5 HD1 TYR 5 8.876 -2.214 1.049
34 HD2 TYR 5 HD2 TYR 5 10.576 1.365 -0.502
35 HE1 TYR 5 HE1 TYR 5 7.331 -0.889 2.430
36 HE2 TYR 5 HE2 TYR 5 9.035 2.700 0.875
37 HH TYR 5 HH TYR 5 7.651 1.946 3.343
38 H LEU 6 H LEU 6 12.295 0.698 -1.966
39 HA LEU 6 HA LEU 6 13.806 0.591 -4.210
40 HB2 LEU 6 HB2 LEU 6 14.003 2.080 -2.104
41 HB3 LEU 6 HB3 LEU 6 15.168 0.876 -1.560
42 HG LEU 6 HG LEU 6 16.199 1.408 -3.972
43 HD11 LEU 6 HD11 LEU 6 15.985 4.121 -3.753
44 HD12 LEU 6 HD12 LEU 6 14.340 3.590 -3.403
45 HD13 LEU 6 HD13 LEU 6 15.116 3.121 -4.917
46 HD21 LEU 6 HD21 LEU 6 17.067 1.657 -1.505
47 HD22 LEU 6 HD22 LEU 6 16.797 3.372 -1.814
48 HD23 LEU 6 HD23 LEU 6 17.897 2.453 -2.842
49 H PHE 7 H PHE 7 15.362 -0.663 -5.093
50 HA PHE 7 HA PHE 7 16.654 -2.489 -5.493
51 HB2 PHE 7 HB2 PHE 7 17.011 -2.198 -2.517
52 HB3 PHE 7 HB3 PHE 7 17.818 -3.473 -3.425
53 HD1 PHE 7 HD1 PHE 7 17.871 -0.024 -2.464
54 HD2 PHE 7 HD2 PHE 7 19.371 -2.820 -5.301
55 HE1 PHE 7 HE1 PHE 7 19.677 1.541 -3.046
56 HE2 PHE 7 HE2 PHE 7 21.180 -1.260 -5.887
57 HZ PHE 7 HZ PHE 7 21.334 0.925 -4.761
58 H GLY 8 H GLY 8 13.944 -2.976 -5.444
59 HA2 GLY 8 HA2 GLY 8 13.449 -5.338 -3.828
60 HA3 GLY 8 HA3 GLY 8 12.315 -4.567 -4.926
61 H GLY 9 H GLY 9 15.272 -4.984 -6.441
62 HA2 GLY 9 HA2 GLY 9 16.018 -6.423 -8.066
63 HA3 GLY 9 HA3 GLY 9 15.207 -7.700 -7.172
64 H CYS 10 H CYS 10 14.030 -4.845 -8.951
65 HA CYS 10 HA CYS 10 11.928 -6.444 -10.137
66 HB2 CYS 10 HB2 CYS 10 11.019 -4.390 -10.934
67 HB3 CYS 10 HB3 CYS 10 11.609 -4.076 -9.305
68 H LYS 11 H LYS 11 11.495 -5.766 -12.583
69 HA LYS 11 HA LYS 11 14.016 -6.014 -14.077
70 HB2 LYS 11 HB2 LYS 11 11.509 -7.655 -14.462
71 HB3 LYS 11 HB3 LYS 11 12.833 -7.603 -15.619
72 HG2 LYS 11 HG2 LYS 11 14.344 -8.439 -13.828
73 HG3 LYS 11 HG3 LYS 11 12.929 -8.630 -12.791
74 HD2 LYS 11 HD2 LYS 11 13.056 -10.740 -13.662
75 HD3 LYS 11 HD3 LYS 11 12.027 -9.980 -14.879
76 HE2 LYS 11 HE2 LYS 11 14.285 -9.419 -16.044
77 HE3 LYS 11 HE3 LYS 11 14.924 -10.710 -15.030
78 HZ1 LYS 11 HZ1 LYS 11 14.264 -12.027 -16.689
79 HZ2 LYS 11 HZ2 LYS 11 13.226 -10.868 -17.353
80 HZ3 LYS 11 HZ3 LYS 11 12.705 -11.830 -16.062
81 H THR 12 H THR 12 10.603 -5.139 -14.101
82 HA THR 12 HA THR 12 11.186 -3.213 -16.243
83 HB THR 12 HB THR 12 9.009 -3.637 -17.278
84 HG1 THR 12 HG1 THR 12 8.802 -5.837 -15.476
85 HG21 THR 12 HG21 THR 12 11.012 -4.882 -18.050
86 HG22 THR 12 HG22 THR 12 9.510 -5.766 -18.309
87 HG23 THR 12 HG23 THR 12 10.570 -6.203 -16.970
88 H THR 13 H THR 13 9.677 -1.409 -16.336
89 HA THR 13 HA THR 13 9.275 -0.162 -13.898
90 HB THR 13 HB THR 13 7.686 0.361 -16.417
91 HG1 THR 13 HG1 THR 13 10.296 1.089 -15.609
92 HG21 THR 13 HG21 THR 13 6.651 1.813 -15.041
93 HG22 THR 13 HG22 THR 13 8.125 2.765 -15.208
94 HG23 THR 13 HG23 THR 13 7.915 1.703 -13.816
95 H ALA 14 H ALA 14 7.127 -2.266 -15.709
96 HA ALA 14 HA ALA 14 4.746 -1.745 -14.317
97 HB1 ALA 14 HB1 ALA 14 5.245 -3.158 -16.478
98 HB2 ALA 14 HB2 ALA 14 5.309 -4.489 -15.322
99 HB3 ALA 14 HB3 ALA 14 3.847 -3.512 -15.462
100 H ASP 15 H ASP 15 7.550 -3.609 -13.484
101 HA ASP 15 HA ASP 15 6.385 -5.256 -11.500
102 HB2 ASP 15 HB2 ASP 15 9.236 -4.285 -11.792
103 HB3 ASP 15 HB3 ASP 15 8.712 -5.568 -10.705
104 H CYS 16 H CYS 16 7.484 -1.958 -11.521
105 HA CYS 16 HA CYS 16 6.988 -1.780 -8.622
106 HB2 CYS 16 HB2 CYS 16 8.493 0.271 -10.233
107 HB3 CYS 16 HB3 CYS 16 8.512 0.018 -8.491
108 H CYS 17 H CYS 17 6.288 0.549 -8.000
109 HA CYS 17 HA CYS 17 3.920 1.147 -9.602
110 HB2 CYS 17 HB2 CYS 17 3.243 2.516 -7.633
111 HB3 CYS 17 HB3 CYS 17 3.525 0.822 -7.241
112 H LYS 18 H LYS 18 3.299 3.563 -9.605
113 HA LYS 18 HA LYS 18 5.007 4.963 -11.252
114 HB2 LYS 18 HB2 LYS 18 3.674 6.993 -10.593
115 HB3 LYS 18 HB3 LYS 18 2.716 5.616 -11.121
116 HG2 LYS 18 HG2 LYS 18 2.429 5.042 -8.678
117 HG3 LYS 18 HG3 LYS 18 3.121 6.627 -8.322
118 HD2 LYS 18 HD2 LYS 18 1.326 7.579 -9.856
119 HD3 LYS 18 HD3 LYS 18 0.566 5.987 -9.776
120 HE2 LYS 18 HE2 LYS 18 0.076 6.193 -7.523
121 HE3 LYS 18 HE3 LYS 18 1.327 7.407 -7.258
122 HZ1 LYS 18 HZ1 LYS 18 -1.118 7.897 -8.863
123 HZ2 LYS 18 HZ2 LYS 18 0.016 9.041 -8.349
124 HZ3 LYS 18 HZ3 LYS 18 -0.985 8.277 -7.220
125 H HIS 19 H HIS 19 4.690 5.191 -7.729
126 HA HIS 19 HA HIS 19 6.376 7.325 -7.235
127 HB2 HIS 19 HB2 HIS 19 6.030 4.813 -5.586
128 HB3 HIS 19 HB3 HIS 19 6.750 6.312 -5.007
129 HD1 HIS 19 HD1 HIS 19 5.187 7.959 -3.992
130 HD2 HIS 19 HD2 HIS 19 3.204 5.152 -6.326
131 HE1 HIS 19 HE1 HIS 19 2.737 8.408 -3.647
132 H LEU 20 H LEU 20 7.162 4.029 -8.082
133 HA LEU 20 HA LEU 20 10.024 4.604 -7.754
134 HB2 LEU 20 HB2 LEU 20 8.685 1.954 -8.264
135 HB3 LEU 20 HB3 LEU 20 10.383 2.219 -7.872
136 HG LEU 20 HG LEU 20 8.334 3.123 -5.912
137 HD11 LEU 20 HD11 LEU 20 8.205 0.906 -4.922
138 HD12 LEU 20 HD12 LEU 20 9.162 0.243 -6.246
139 HD13 LEU 20 HD13 LEU 20 7.554 0.896 -6.560
140 HD21 LEU 20 HD21 LEU 20 11.181 2.544 -6.018
141 HD22 LEU 20 HD22 LEU 20 10.381 1.776 -4.647
142 HD23 LEU 20 HD23 LEU 20 10.265 3.522 -4.870
143 H GLY 21 H GLY 21 11.440 3.517 -9.462
144 HA2 GLY 21 HA2 GLY 21 10.198 3.554 -12.120
145 HA3 GLY 21 HA3 GLY 21 11.535 4.651 -11.808
146 H CYS 22 H CYS 22 10.592 1.285 -12.105
147 HA CYS 22 HA CYS 22 12.966 -0.013 -11.602
148 HB2 CYS 22 HB2 CYS 22 10.675 -0.982 -12.269
149 HB3 CYS 22 HB3 CYS 22 11.216 -0.776 -13.931
150 H ARG 23 H ARG 23 14.936 0.299 -12.375
151 HA ARG 23 HA ARG 23 15.342 1.672 -14.890
152 HB2 ARG 23 HB2 ARG 23 17.099 0.806 -12.628
153 HB3 ARG 23 HB3 ARG 23 17.829 1.181 -14.183
154 HG2 ARG 23 HG2 ARG 23 16.589 3.399 -14.052
155 HG3 ARG 23 HG3 ARG 23 16.292 2.998 -12.359
156 HD2 ARG 23 HD2 ARG 23 18.235 4.177 -12.142
157 HD3 ARG 23 HD3 ARG 23 18.890 2.555 -12.366
158 HE ARG 23 HE ARG 23 18.786 3.490 -14.885
159 HH11 ARG 23 HH11 ARG 23 20.062 4.827 -11.935
160 HH12 ARG 23 HH12 ARG 23 21.305 5.734 -12.730
161 HH21 ARG 23 HH21 ARG 23 20.420 4.678 -15.943
162 HH22 ARG 23 HH22 ARG 23 21.508 5.649 -15.010
163 H THR 24 H THR 24 16.348 0.846 -16.708
164 HA THR 24 HA THR 24 16.047 -2.003 -17.090
165 HB THR 24 HB THR 24 16.579 -1.583 -19.425
166 HG1 THR 24 HG1 THR 24 17.351 0.951 -18.424
167 HG21 THR 24 HG21 THR 24 14.818 0.699 -18.568
168 HG22 THR 24 HG22 THR 24 14.300 -0.979 -18.409
169 HG23 THR 24 HG23 THR 24 14.684 -0.323 -19.999
170 H ASP 25 H ASP 25 18.601 0.221 -16.430
171 HA ASP 25 HA ASP 25 20.658 -1.702 -17.211
172 HB2 ASP 25 HB2 ASP 25 20.742 1.181 -16.339
173 HB3 ASP 25 HB3 ASP 25 22.202 0.201 -16.443
174 H LEU 26 H LEU 26 19.323 -0.125 -14.358
175 HA LEU 26 HA LEU 26 21.184 -1.508 -12.602
176 HB2 LEU 26 HB2 LEU 26 19.026 0.531 -12.191
177 HB3 LEU 26 HB3 LEU 26 19.725 -0.339 -10.827
178 HG LEU 26 HG LEU 26 20.774 1.818 -11.032
179 HD11 LEU 26 HD11 LEU 26 23.072 0.469 -12.062
180 HD12 LEU 26 HD12 LEU 26 22.141 -0.642 -11.059
181 HD13 LEU 26 HD13 LEU 26 22.685 0.898 -10.394
182 HD21 LEU 26 HD21 LEU 26 21.985 1.185 -13.665
183 HD22 LEU 26 HD22 LEU 26 21.572 2.743 -12.950
184 HD23 LEU 26 HD23 LEU 26 20.307 1.728 -13.645
185 H TYR 27 H TYR 27 17.813 -1.632 -13.561
186 HA TYR 27 HA TYR 27 16.191 -3.196 -13.254
187 HB2 TYR 27 HB2 TYR 27 18.705 -4.712 -12.924
188 HB3 TYR 27 HB3 TYR 27 17.271 -5.473 -12.245
189 HD1 TYR 27 HD1 TYR 27 17.357 -3.329 -15.263
190 HD2 TYR 27 HD2 TYR 27 17.036 -7.290 -13.741
191 HE1 TYR 27 HE1 TYR 27 16.730 -4.132 -17.502
192 HE2 TYR 27 HE2 TYR 27 16.408 -8.104 -15.976
193 HH TYR 27 HH TYR 27 16.655 -6.119 -18.792
194 H TYR 28 H TYR 28 16.091 -1.419 -11.355
195 HA TYR 28 HA TYR 28 15.192 -2.898 -9.056
196 HB2 TYR 28 HB2 TYR 28 16.675 -2.163 -7.452
197 HB3 TYR 28 HB3 TYR 28 17.757 -2.339 -8.829
198 HD1 TYR 28 HD1 TYR 28 17.753 -0.083 -10.371
199 HD2 TYR 28 HD2 TYR 28 16.993 -0.269 -6.189
200 HE1 TYR 28 HE1 TYR 28 18.425 2.273 -10.150
201 HE2 TYR 28 HE2 TYR 28 17.661 2.086 -5.957
202 HH TYR 28 HH TYR 28 18.232 4.115 -8.716
203 H CYS 29 H CYS 29 13.672 -1.795 -7.867
204 HA CYS 29 HA CYS 29 12.338 0.345 -9.122
205 HB2 CYS 29 HB2 CYS 29 12.088 -0.648 -6.274
206 HB3 CYS 29 HB3 CYS 29 10.937 0.400 -7.096
207 H ALA 30 H ALA 30 12.972 2.387 -9.224
208 HA ALA 30 HA ALA 30 14.714 3.466 -7.132
209 HB1 ALA 30 HB1 ALA 30 15.504 4.992 -8.664
210 HB2 ALA 30 HB2 ALA 30 15.142 3.611 -9.701
211 HB3 ALA 30 HB3 ALA 30 14.020 4.968 -9.616
212 H TRP 31 H TRP 31 13.472 4.139 -5.463
213 HA TRP 31 HA TRP 31 10.907 5.301 -5.725
214 HB2 TRP 31 HB2 TRP 31 11.735 4.196 -3.659
215 HB3 TRP 31 HB3 TRP 31 12.841 5.543 -3.411
216 HD1 TRP 31 HD1 TRP 31 11.594 8.012 -3.018
217 HE1 TRP 31 HE1 TRP 31 9.419 8.521 -1.739
218 HE3 TRP 31 HE3 TRP 31 9.535 3.333 -3.021
219 HZ2 TRP 31 HZ2 TRP 31 7.134 7.125 -0.848
220 HZ3 TRP 31 HZ3 TRP 31 7.352 3.004 -1.933
221 HH2 TRP 31 HH2 TRP 31 6.178 4.862 -0.870
222 H ASP 32 H ASP 32 10.524 7.183 -6.684
223 HA ASP 32 HA ASP 32 11.953 9.549 -5.806
224 HB2 ASP 32 HB2 ASP 32 13.236 8.611 -7.777
225 HB3 ASP 32 HB3 ASP 32 11.812 8.937 -8.761
226 H GLY 33 H GLY 33 9.621 8.332 -8.216
227 HA2 GLY 33 HA2 GLY 33 7.331 8.893 -8.272
228 HA3 GLY 33 HA3 GLY 33 7.663 10.256 -7.212
229 H THR 34 H THR 34 9.996 10.967 -9.011
230 HA THR 34 HA THR 34 8.524 11.960 -11.349
231 HB THR 34 HB THR 34 9.514 14.195 -11.095
232 HG1 THR 34 HG1 THR 34 10.606 14.716 -9.179
233 HG21 THR 34 HG21 THR 34 7.991 15.003 -9.510
234 HG22 THR 34 HG22 THR 34 8.122 13.556 -8.511
235 HG23 THR 34 HG23 THR 34 7.269 13.489 -10.052
236 H PHE 35 H PHE 35 9.592 11.406 -13.120
237 HA PHE 35 HA PHE 35 12.307 11.988 -13.573
238 HB2 PHE 35 HB2 PHE 35 13.179 9.661 -13.742
239 HB3 PHE 35 HB3 PHE 35 12.788 10.136 -12.092
240 HD1 PHE 35 HD1 PHE 35 11.226 8.930 -10.823
241 HD2 PHE 35 HD2 PHE 35 11.578 8.199 -15.001
242 HE1 PHE 35 HE1 PHE 35 9.790 6.946 -10.594
243 HE2 PHE 35 HE2 PHE 35 10.142 6.215 -14.778
244 HZ PHE 35 HZ PHE 35 9.246 5.584 -12.573
Start of MODEL 5
1 H1 SER 1 H SER 1 1.080 0.586 0.333
2 HA SER 1 HA SER 1 2.158 0.814 -2.144
3 HB2 SER 1 HB2 SER 1 3.290 -0.448 0.345
4 HB3 SER 1 HB3 SER 1 4.251 -0.296 -1.125
5 HG SER 1 HG SER 1 3.654 2.007 -1.018
6 H GLU 2 H GLU 2 1.435 -0.433 -3.794
7 HA GLU 2 HA GLU 2 1.520 -3.346 -3.510
8 HB2 GLU 2 HB2 GLU 2 -0.456 -1.958 -4.518
9 HB3 GLU 2 HB3 GLU 2 0.542 -1.933 -5.965
10 HG2 GLU 2 HG2 GLU 2 0.436 -4.254 -6.220
11 HG3 GLU 2 HG3 GLU 2 -0.134 -4.496 -4.570
12 H CYS 3 H CYS 3 3.878 -1.484 -3.868
13 HA CYS 3 HA CYS 3 5.029 -2.853 -6.208
14 HB2 CYS 3 HB2 CYS 3 6.508 -0.749 -6.383
15 HB3 CYS 3 HB3 CYS 3 4.848 -0.638 -6.957
16 H ARG 4 H ARG 4 7.437 -2.966 -6.126
17 HA ARG 4 HA ARG 4 8.247 -3.942 -3.539
18 HB2 ARG 4 HB2 ARG 4 10.019 -3.676 -5.961
19 HB3 ARG 4 HB3 ARG 4 10.160 -4.814 -4.628
20 HG2 ARG 4 HG2 ARG 4 8.220 -6.017 -5.376
21 HG3 ARG 4 HG3 ARG 4 7.910 -4.812 -6.627
22 HD2 ARG 4 HD2 ARG 4 8.976 -6.447 -7.841
23 HD3 ARG 4 HD3 ARG 4 10.335 -5.418 -7.393
24 HE ARG 4 HE ARG 4 10.294 -7.208 -5.393
25 HH11 ARG 4 HH11 ARG 4 10.194 -7.568 -8.854
26 HH12 ARG 4 HH12 ARG 4 10.994 -9.104 -8.848
27 HH21 ARG 4 HH21 ARG 4 11.349 -9.231 -5.372
28 HH22 ARG 4 HH22 ARG 4 11.650 -10.049 -6.867
29 H TYR 5 H TYR 5 9.650 -3.037 -2.126
30 HA TYR 5 HA TYR 5 10.081 -0.245 -2.216
31 HB2 TYR 5 HB2 TYR 5 10.698 -2.455 -0.378
32 HB3 TYR 5 HB3 TYR 5 11.854 -1.129 -0.325
33 HD1 TYR 5 HD1 TYR 5 8.944 -2.345 1.107
34 HD2 TYR 5 HD2 TYR 5 10.640 1.286 -0.323
35 HE1 TYR 5 HE1 TYR 5 7.405 -1.069 2.539
36 HE2 TYR 5 HE2 TYR 5 9.106 2.571 1.107
37 HH TYR 5 HH TYR 5 7.675 1.620 3.592
38 H LEU 6 H LEU 6 12.351 0.677 -1.813
39 HA LEU 6 HA LEU 6 13.857 0.648 -4.065
40 HB2 LEU 6 HB2 LEU 6 14.052 2.065 -1.904
41 HB3 LEU 6 HB3 LEU 6 15.230 0.849 -1.413
42 HG LEU 6 HG LEU 6 16.279 1.455 -3.775
43 HD11 LEU 6 HD11 LEU 6 14.375 3.620 -3.202
44 HD12 LEU 6 HD12 LEU 6 15.084 3.101 -4.731
45 HD13 LEU 6 HD13 LEU 6 16.002 4.139 -3.641
46 HD21 LEU 6 HD21 LEU 6 16.751 3.432 -1.593
47 HD22 LEU 6 HD22 LEU 6 17.911 2.592 -2.622
48 HD23 LEU 6 HD23 LEU 6 17.108 1.729 -1.309
49 H PHE 7 H PHE 7 15.313 -0.633 -5.033
50 HA PHE 7 HA PHE 7 16.593 -2.454 -5.501
51 HB2 PHE 7 HB2 PHE 7 17.123 -2.073 -2.571
52 HB3 PHE 7 HB3 PHE 7 17.811 -3.451 -3.423
53 HD1 PHE 7 HD1 PHE 7 17.941 0.140 -2.917
54 HD2 PHE 7 HD2 PHE 7 19.449 -3.110 -5.214
55 HE1 PHE 7 HE1 PHE 7 19.794 1.557 -3.700
56 HE2 PHE 7 HE2 PHE 7 21.305 -1.700 -5.999
57 HZ PHE 7 HZ PHE 7 21.479 0.638 -5.244
58 H GLY 8 H GLY 8 14.000 -3.059 -5.514
59 HA2 GLY 8 HA2 GLY 8 13.519 -5.359 -3.786
60 HA3 GLY 8 HA3 GLY 8 12.370 -4.636 -4.902
61 H GLY 9 H GLY 9 15.168 -4.926 -6.590
62 HA2 GLY 9 HA2 GLY 9 15.999 -6.451 -8.104
63 HA3 GLY 9 HA3 GLY 9 15.179 -7.713 -7.196
64 H CYS 10 H CYS 10 14.002 -4.878 -9.003
65 HA CYS 10 HA CYS 10 11.922 -6.502 -10.199
66 HB2 CYS 10 HB2 CYS 10 11.005 -4.451 -11.019
67 HB3 CYS 10 HB3 CYS 10 11.543 -4.154 -9.369
68 H LYS 11 H LYS 11 11.494 -5.825 -12.646
69 HA LYS 11 HA LYS 11 14.028 -6.056 -14.123
70 HB2 LYS 11 HB2 LYS 11 11.552 -7.745 -14.389
71 HB3 LYS 11 HB3 LYS 11 12.691 -7.574 -15.719
72 HG2 LYS 11 HG2 LYS 11 14.442 -8.274 -13.900
73 HG3 LYS 11 HG3 LYS 11 13.021 -8.952 -13.103
74 HD2 LYS 11 HD2 LYS 11 13.896 -9.553 -15.928
75 HD3 LYS 11 HD3 LYS 11 14.164 -10.599 -14.531
76 HE2 LYS 11 HE2 LYS 11 11.518 -9.787 -15.727
77 HE3 LYS 11 HE3 LYS 11 12.244 -11.393 -15.736
78 HZ1 LYS 11 HZ1 LYS 11 10.708 -10.098 -13.692
79 HZ2 LYS 11 HZ2 LYS 11 12.156 -10.743 -13.100
80 HZ3 LYS 11 HZ3 LYS 11 11.053 -11.741 -13.905
81 H THR 12 H THR 12 10.628 -5.144 -14.149
82 HA THR 12 HA THR 12 11.233 -3.227 -16.296
83 HB THR 12 HB THR 12 8.999 -3.604 -17.273
84 HG1 THR 12 HG1 THR 12 7.713 -5.254 -16.532
85 HG21 THR 12 HG21 THR 12 11.021 -4.811 -18.111
86 HG22 THR 12 HG22 THR 12 9.503 -5.658 -18.412
87 HG23 THR 12 HG23 THR 12 10.559 -6.181 -17.101
88 H THR 13 H THR 13 9.637 -1.446 -16.420
89 HA THR 13 HA THR 13 9.317 -0.169 -13.962
90 HB THR 13 HB THR 13 7.635 0.426 -16.394
91 HG1 THR 13 HG1 THR 13 10.360 1.029 -15.851
92 HG21 THR 13 HG21 THR 13 7.146 2.386 -15.408
93 HG22 THR 13 HG22 THR 13 8.791 2.603 -14.810
94 HG23 THR 13 HG23 THR 13 7.655 1.591 -13.919
95 H ALA 14 H ALA 14 7.141 -2.249 -15.759
96 HA ALA 14 HA ALA 14 4.765 -1.683 -14.369
97 HB1 ALA 14 HB1 ALA 14 3.887 -3.673 -15.325
98 HB2 ALA 14 HB2 ALA 14 4.975 -2.963 -16.519
99 HB3 ALA 14 HB3 ALA 14 5.500 -4.348 -15.560
100 H ASP 15 H ASP 15 7.549 -3.561 -13.520
101 HA ASP 15 HA ASP 15 6.366 -5.204 -11.542
102 HB2 ASP 15 HB2 ASP 15 9.219 -4.240 -11.833
103 HB3 ASP 15 HB3 ASP 15 8.694 -5.505 -10.725
104 H CYS 16 H CYS 16 7.478 -1.909 -11.556
105 HA CYS 16 HA CYS 16 6.955 -1.728 -8.662
106 HB2 CYS 16 HB2 CYS 16 8.469 0.340 -10.235
107 HB3 CYS 16 HB3 CYS 16 8.504 0.031 -8.503
108 H CYS 17 H CYS 17 6.255 0.600 -8.046
109 HA CYS 17 HA CYS 17 3.906 1.206 -9.665
110 HB2 CYS 17 HB2 CYS 17 3.225 2.589 -7.708
111 HB3 CYS 17 HB3 CYS 17 3.499 0.897 -7.303
112 H LYS 18 H LYS 18 3.298 3.639 -9.649
113 HA LYS 18 HA LYS 18 5.013 5.020 -11.312
114 HB2 LYS 18 HB2 LYS 18 3.696 7.059 -10.665
115 HB3 LYS 18 HB3 LYS 18 2.721 5.683 -11.169
116 HG2 LYS 18 HG2 LYS 18 2.484 5.144 -8.696
117 HG3 LYS 18 HG3 LYS 18 3.145 6.753 -8.397
118 HD2 LYS 18 HD2 LYS 18 1.331 7.756 -9.669
119 HD3 LYS 18 HD3 LYS 18 0.690 6.157 -10.051
120 HE2 LYS 18 HE2 LYS 18 0.477 5.788 -7.561
121 HE3 LYS 18 HE3 LYS 18 0.834 7.504 -7.362
122 HZ1 LYS 18 HZ1 LYS 18 -1.149 7.406 -9.252
123 HZ2 LYS 18 HZ2 LYS 18 -1.329 7.844 -7.628
124 HZ3 LYS 18 HZ3 LYS 18 -1.610 6.247 -8.110
125 H HIS 19 H HIS 19 4.711 5.250 -7.789
126 HA HIS 19 HA HIS 19 6.412 7.373 -7.300
127 HB2 HIS 19 HB2 HIS 19 6.055 4.863 -5.650
128 HB3 HIS 19 HB3 HIS 19 6.786 6.357 -5.073
129 HD1 HIS 19 HD1 HIS 19 5.238 8.005 -4.041
130 HD2 HIS 19 HD2 HIS 19 3.229 5.229 -6.391
131 HE1 HIS 19 HE1 HIS 19 2.792 8.473 -3.689
132 H LEU 20 H LEU 20 7.172 4.070 -8.144
133 HA LEU 20 HA LEU 20 10.040 4.642 -7.849
134 HB2 LEU 20 HB2 LEU 20 8.734 1.971 -8.320
135 HB3 LEU 20 HB3 LEU 20 10.410 2.276 -7.869
136 HG LEU 20 HG LEU 20 8.280 3.184 -6.003
137 HD11 LEU 20 HD11 LEU 20 9.133 0.305 -6.284
138 HD12 LEU 20 HD12 LEU 20 7.528 0.951 -6.622
139 HD13 LEU 20 HD13 LEU 20 8.157 0.973 -4.975
140 HD21 LEU 20 HD21 LEU 20 10.117 3.563 -4.814
141 HD22 LEU 20 HD22 LEU 20 11.123 2.740 -6.006
142 HD23 LEU 20 HD23 LEU 20 10.352 1.819 -4.714
143 H GLY 21 H GLY 21 11.437 3.532 -9.551
144 HA2 GLY 21 HA2 GLY 21 10.161 3.488 -12.193
145 HA3 GLY 21 HA3 GLY 21 11.484 4.615 -11.928
146 H CYS 22 H CYS 22 10.592 1.238 -12.175
147 HA CYS 22 HA CYS 22 12.972 -0.032 -11.646
148 HB2 CYS 22 HB2 CYS 22 10.694 -1.022 -12.340
149 HB3 CYS 22 HB3 CYS 22 11.264 -0.827 -13.994
150 H ARG 23 H ARG 23 14.948 0.292 -12.399
151 HA ARG 23 HA ARG 23 15.374 1.670 -14.905
152 HB2 ARG 23 HB2 ARG 23 17.090 0.817 -12.616
153 HB3 ARG 23 HB3 ARG 23 17.859 1.137 -14.165
154 HG2 ARG 23 HG2 ARG 23 16.546 3.370 -14.070
155 HG3 ARG 23 HG3 ARG 23 16.419 3.015 -12.346
156 HD2 ARG 23 HD2 ARG 23 18.355 4.269 -12.435
157 HD3 ARG 23 HD3 ARG 23 18.982 2.623 -12.507
158 HE ARG 23 HE ARG 23 19.690 3.013 -14.659
159 HH11 ARG 23 HH11 ARG 23 17.561 5.574 -13.643
160 HH12 ARG 23 HH12 ARG 23 17.899 6.577 -15.015
161 HH21 ARG 23 HH21 ARG 23 20.144 4.325 -16.469
162 HH22 ARG 23 HH22 ARG 23 19.370 5.864 -16.622
163 H THR 24 H THR 24 16.398 0.855 -16.719
164 HA THR 24 HA THR 24 16.097 -1.990 -17.124
165 HB THR 24 HB THR 24 16.682 -1.545 -19.454
166 HG1 THR 24 HG1 THR 24 17.105 1.139 -18.582
167 HG21 THR 24 HG21 THR 24 14.890 0.742 -18.831
168 HG22 THR 24 HG22 THR 24 14.389 -0.859 -18.288
169 HG23 THR 24 HG23 THR 24 14.694 -0.564 -20.000
170 H ASP 25 H ASP 25 18.648 0.225 -16.425
171 HA ASP 25 HA ASP 25 20.710 -1.695 -17.200
172 HB2 ASP 25 HB2 ASP 25 20.781 0.889 -17.593
173 HB3 ASP 25 HB3 ASP 25 21.286 0.948 -15.907
174 H LEU 26 H LEU 26 19.350 -0.136 -14.348
175 HA LEU 26 HA LEU 26 21.191 -1.535 -12.586
176 HB2 LEU 26 HB2 LEU 26 19.051 0.522 -12.198
177 HB3 LEU 26 HB3 LEU 26 19.689 -0.378 -10.822
178 HG LEU 26 HG LEU 26 20.773 1.775 -10.985
179 HD11 LEU 26 HD11 LEU 26 23.043 1.071 -10.897
180 HD12 LEU 26 HD12 LEU 26 22.712 -0.332 -11.912
181 HD13 LEU 26 HD13 LEU 26 22.059 -0.254 -10.276
182 HD21 LEU 26 HD21 LEU 26 22.208 1.209 -13.478
183 HD22 LEU 26 HD22 LEU 26 21.514 2.718 -12.881
184 HD23 LEU 26 HD23 LEU 26 20.484 1.529 -13.680
185 H TYR 27 H TYR 27 17.829 -1.646 -13.575
186 HA TYR 27 HA TYR 27 16.201 -3.208 -13.293
187 HB2 TYR 27 HB2 TYR 27 18.710 -4.732 -12.958
188 HB3 TYR 27 HB3 TYR 27 17.269 -5.496 -12.296
189 HD1 TYR 27 HD1 TYR 27 17.386 -3.328 -15.296
190 HD2 TYR 27 HD2 TYR 27 17.035 -7.299 -13.809
191 HE1 TYR 27 HE1 TYR 27 16.772 -4.110 -17.545
192 HE2 TYR 27 HE2 TYR 27 16.420 -8.092 -16.054
193 HH TYR 27 HH TYR 27 16.654 -7.424 -18.370
194 H TYR 28 H TYR 28 16.096 -1.445 -11.377
195 HA TYR 28 HA TYR 28 15.176 -2.945 -9.098
196 HB2 TYR 28 HB2 TYR 28 16.649 -2.225 -7.477
197 HB3 TYR 28 HB3 TYR 28 17.740 -2.394 -8.848
198 HD1 TYR 28 HD1 TYR 28 17.684 -0.105 -10.384
199 HD2 TYR 28 HD2 TYR 28 17.030 -0.362 -6.188
200 HE1 TYR 28 HE1 TYR 28 18.361 2.247 -10.140
201 HE2 TYR 28 HE2 TYR 28 17.705 1.990 -5.932
202 HH TYR 28 HH TYR 28 18.167 4.074 -8.654
203 H CYS 29 H CYS 29 13.705 -1.812 -7.840
204 HA CYS 29 HA CYS 29 12.387 0.355 -9.111
205 HB2 CYS 29 HB2 CYS 29 12.047 -0.723 -6.304
206 HB3 CYS 29 HB3 CYS 29 10.926 0.356 -7.131
207 H ALA 30 H ALA 30 13.043 2.392 -9.129
208 HA ALA 30 HA ALA 30 14.722 3.385 -6.943
209 HB1 ALA 30 HB1 ALA 30 15.374 5.161 -8.419
210 HB2 ALA 30 HB2 ALA 30 15.507 3.630 -9.288
211 HB3 ALA 30 HB3 ALA 30 14.138 4.701 -9.590
212 H TRP 31 H TRP 31 13.447 4.066 -5.309
213 HA TRP 31 HA TRP 31 10.901 5.253 -5.637
214 HB2 TRP 31 HB2 TRP 31 11.627 4.115 -3.562
215 HB3 TRP 31 HB3 TRP 31 12.770 5.421 -3.262
216 HD1 TRP 31 HD1 TRP 31 11.585 7.929 -2.885
217 HE1 TRP 31 HE1 TRP 31 9.397 8.491 -1.652
218 HE3 TRP 31 HE3 TRP 31 9.396 3.311 -2.971
219 HZ2 TRP 31 HZ2 TRP 31 7.054 7.153 -0.824
220 HZ3 TRP 31 HZ3 TRP 31 7.181 3.035 -1.936
221 HH2 TRP 31 HH2 TRP 31 6.036 4.918 -0.885
222 H ASP 32 H ASP 32 10.600 7.137 -6.628
223 HA ASP 32 HA ASP 32 12.078 9.467 -5.687
224 HB2 ASP 32 HB2 ASP 32 13.249 8.531 -7.733
225 HB3 ASP 32 HB3 ASP 32 11.798 8.937 -8.646
226 H GLY 33 H GLY 33 9.662 8.426 -8.101
227 HA2 GLY 33 HA2 GLY 33 7.416 9.054 -8.204
228 HA3 GLY 33 HA3 GLY 33 7.701 10.200 -6.903
229 H THR 34 H THR 34 9.831 10.209 -9.625
230 HA THR 34 HA THR 34 8.428 12.534 -10.756
231 HB THR 34 HB THR 34 10.613 13.639 -11.137
232 HG1 THR 34 HG1 THR 34 12.431 12.812 -10.010
233 HG21 THR 34 HG21 THR 34 10.453 13.096 -8.200
234 HG22 THR 34 HG22 THR 34 9.106 13.891 -9.014
235 HG23 THR 34 HG23 THR 34 10.711 14.621 -9.045
236 H PHE 35 H PHE 35 7.874 12.010 -12.761
237 HA PHE 35 HA PHE 35 9.895 10.941 -14.562
238 HB2 PHE 35 HB2 PHE 35 7.208 9.603 -14.189
239 HB3 PHE 35 HB3 PHE 35 8.400 9.181 -15.414
240 HD1 PHE 35 HD1 PHE 35 10.348 7.905 -14.865
241 HD2 PHE 35 HD2 PHE 35 7.602 9.088 -11.836
242 HE1 PHE 35 HE1 PHE 35 11.403 6.328 -13.298
243 HE2 PHE 35 HE2 PHE 35 8.652 7.513 -10.265
244 HZ PHE 35 HZ PHE 35 10.555 6.131 -10.994
Start of MODEL 6
1 H1 SER 1 H SER 1 -1.766 -0.095 -4.126
2 HA SER 1 HA SER 1 0.849 0.504 -4.922
3 HB2 SER 1 HB2 SER 1 0.887 1.688 -2.589
4 HB3 SER 1 HB3 SER 1 -0.221 2.263 -3.834
5 HG SER 1 HG SER 1 -0.942 0.374 -1.847
6 H GLU 2 H GLU 2 0.975 -2.174 -4.633
7 HA GLU 2 HA GLU 2 2.451 -2.624 -2.128
8 HB2 GLU 2 HB2 GLU 2 2.100 -5.008 -2.505
9 HB3 GLU 2 HB3 GLU 2 0.566 -4.150 -2.510
10 HG2 GLU 2 HG2 GLU 2 1.001 -4.092 -5.108
11 HG3 GLU 2 HG3 GLU 2 1.993 -5.499 -4.734
12 H CYS 3 H CYS 3 3.366 -1.345 -4.712
13 HA CYS 3 HA CYS 3 5.048 -2.937 -6.199
14 HB2 CYS 3 HB2 CYS 3 6.462 -0.824 -6.442
15 HB3 CYS 3 HB3 CYS 3 4.767 -0.697 -6.900
16 H ARG 4 H ARG 4 7.409 -3.133 -6.145
17 HA ARG 4 HA ARG 4 8.285 -4.034 -3.563
18 HB2 ARG 4 HB2 ARG 4 10.015 -3.801 -6.017
19 HB3 ARG 4 HB3 ARG 4 10.172 -4.925 -4.674
20 HG2 ARG 4 HG2 ARG 4 8.193 -6.111 -5.379
21 HG3 ARG 4 HG3 ARG 4 7.913 -4.934 -6.665
22 HD2 ARG 4 HD2 ARG 4 9.037 -6.391 -7.948
23 HD3 ARG 4 HD3 ARG 4 10.469 -5.701 -7.184
24 HE ARG 4 HE ARG 4 10.805 -7.701 -6.144
25 HH11 ARG 4 HH11 ARG 4 7.475 -7.514 -7.139
26 HH12 ARG 4 HH12 ARG 4 7.105 -9.138 -6.662
27 HH21 ARG 4 HH21 ARG 4 10.331 -9.840 -5.511
28 HH22 ARG 4 HH22 ARG 4 8.730 -10.460 -5.734
29 H TYR 5 H TYR 5 9.535 -3.006 -2.129
30 HA TYR 5 HA TYR 5 10.021 -0.251 -2.310
31 HB2 TYR 5 HB2 TYR 5 10.649 -2.412 -0.419
32 HB3 TYR 5 HB3 TYR 5 11.799 -1.079 -0.400
33 HD1 TYR 5 HD1 TYR 5 8.872 -2.275 1.038
34 HD2 TYR 5 HD2 TYR 5 10.591 1.329 -0.432
35 HE1 TYR 5 HE1 TYR 5 7.327 -0.973 2.441
36 HE2 TYR 5 HE2 TYR 5 9.052 2.640 0.968
37 HH TYR 5 HH TYR 5 7.106 2.513 2.182
38 H LEU 6 H LEU 6 12.289 0.688 -1.933
39 HA LEU 6 HA LEU 6 13.792 0.605 -4.187
40 HB2 LEU 6 HB2 LEU 6 13.988 2.105 -2.104
41 HB3 LEU 6 HB3 LEU 6 15.130 0.896 -1.519
42 HG LEU 6 HG LEU 6 16.240 1.377 -3.895
43 HD11 LEU 6 HD11 LEU 6 14.391 3.612 -3.420
44 HD12 LEU 6 HD12 LEU 6 15.108 3.026 -4.920
45 HD13 LEU 6 HD13 LEU 6 16.041 4.069 -3.846
46 HD21 LEU 6 HD21 LEU 6 16.785 1.978 -1.244
47 HD22 LEU 6 HD22 LEU 6 16.970 3.517 -2.086
48 HD23 LEU 6 HD23 LEU 6 17.898 2.109 -2.604
49 H PHE 7 H PHE 7 15.327 -0.649 -5.091
50 HA PHE 7 HA PHE 7 16.629 -2.467 -5.504
51 HB2 PHE 7 HB2 PHE 7 17.046 -2.074 -2.558
52 HB3 PHE 7 HB3 PHE 7 17.770 -3.454 -3.379
53 HD1 PHE 7 HD1 PHE 7 17.933 0.103 -2.787
54 HD2 PHE 7 HD2 PHE 7 19.410 -3.077 -5.200
55 HE1 PHE 7 HE1 PHE 7 19.811 1.523 -3.505
56 HE2 PHE 7 HE2 PHE 7 21.291 -1.663 -5.920
57 HZ PHE 7 HZ PHE 7 21.492 0.641 -5.073
58 H GLY 8 H GLY 8 13.948 -2.996 -5.461
59 HA2 GLY 8 HA2 GLY 8 13.476 -5.343 -3.811
60 HA3 GLY 8 HA3 GLY 8 12.330 -4.593 -4.912
61 H GLY 9 H GLY 9 15.249 -4.962 -6.478
62 HA2 GLY 9 HA2 GLY 9 16.020 -6.422 -8.073
63 HA3 GLY 9 HA3 GLY 9 15.217 -7.699 -7.171
64 H CYS 10 H CYS 10 14.020 -4.861 -8.963
65 HA CYS 10 HA CYS 10 11.927 -6.478 -10.139
66 HB2 CYS 10 HB2 CYS 10 11.013 -4.429 -10.958
67 HB3 CYS 10 HB3 CYS 10 11.577 -4.120 -9.320
68 H LYS 11 H LYS 11 11.486 -5.831 -12.586
69 HA LYS 11 HA LYS 11 14.010 -6.079 -14.079
70 HB2 LYS 11 HB2 LYS 11 11.475 -7.631 -14.641
71 HB3 LYS 11 HB3 LYS 11 12.970 -7.718 -15.564
72 HG2 LYS 11 HG2 LYS 11 13.066 -8.322 -12.655
73 HG3 LYS 11 HG3 LYS 11 12.371 -9.519 -13.750
74 HD2 LYS 11 HD2 LYS 11 15.081 -8.268 -14.158
75 HD3 LYS 11 HD3 LYS 11 14.830 -9.782 -13.288
76 HE2 LYS 11 HE2 LYS 11 13.658 -10.633 -15.353
77 HE3 LYS 11 HE3 LYS 11 14.239 -9.189 -16.181
78 HZ1 LYS 11 HZ1 LYS 11 16.448 -10.254 -14.943
79 HZ2 LYS 11 HZ2 LYS 11 16.085 -10.318 -16.593
80 HZ3 LYS 11 HZ3 LYS 11 15.630 -11.592 -15.578
81 H THR 12 H THR 12 10.611 -5.154 -14.095
82 HA THR 12 HA THR 12 11.215 -3.243 -16.246
83 HB THR 12 HB THR 12 8.961 -3.625 -17.206
84 HG1 THR 12 HG1 THR 12 8.008 -4.584 -15.331
85 HG21 THR 12 HG21 THR 12 10.361 -6.274 -17.176
86 HG22 THR 12 HG22 THR 12 11.140 -4.865 -17.896
87 HG23 THR 12 HG23 THR 12 9.592 -5.432 -18.521
88 H THR 13 H THR 13 9.625 -1.463 -16.373
89 HA THR 13 HA THR 13 9.291 -0.182 -13.921
90 HB THR 13 HB THR 13 7.523 0.437 -16.273
91 HG1 THR 13 HG1 THR 13 10.200 1.351 -16.028
92 HG21 THR 13 HG21 THR 13 8.251 1.727 -13.811
93 HG22 THR 13 HG22 THR 13 7.063 2.219 -15.017
94 HG23 THR 13 HG23 THR 13 8.746 2.720 -15.181
95 H ALA 14 H ALA 14 7.112 -2.265 -15.719
96 HA ALA 14 HA ALA 14 4.744 -1.713 -14.312
97 HB1 ALA 14 HB1 ALA 14 5.400 -4.416 -15.437
98 HB2 ALA 14 HB2 ALA 14 3.835 -3.604 -15.343
99 HB3 ALA 14 HB3 ALA 14 5.057 -3.035 -16.481
100 H ASP 15 H ASP 15 7.536 -3.591 -13.488
101 HA ASP 15 HA ASP 15 6.368 -5.244 -11.511
102 HB2 ASP 15 HB2 ASP 15 9.221 -4.273 -11.787
103 HB3 ASP 15 HB3 ASP 15 8.691 -5.569 -10.719
104 H CYS 16 H CYS 16 7.472 -1.947 -11.518
105 HA CYS 16 HA CYS 16 6.972 -1.779 -8.620
106 HB2 CYS 16 HB2 CYS 16 8.473 0.286 -10.212
107 HB3 CYS 16 HB3 CYS 16 8.505 0.004 -8.475
108 H CYS 17 H CYS 17 6.273 0.547 -7.989
109 HA CYS 17 HA CYS 17 3.903 1.149 -9.584
110 HB2 CYS 17 HB2 CYS 17 3.240 2.526 -7.615
111 HB3 CYS 17 HB3 CYS 17 3.518 0.833 -7.220
112 H LYS 18 H LYS 18 3.285 3.566 -9.588
113 HA LYS 18 HA LYS 18 4.985 4.960 -11.249
114 HB2 LYS 18 HB2 LYS 18 3.658 6.992 -10.593
115 HB3 LYS 18 HB3 LYS 18 2.693 5.613 -11.102
116 HG2 LYS 18 HG2 LYS 18 2.435 5.057 -8.648
117 HG3 LYS 18 HG3 LYS 18 3.121 6.648 -8.317
118 HD2 LYS 18 HD2 LYS 18 1.264 7.420 -10.028
119 HD3 LYS 18 HD3 LYS 18 0.493 5.917 -9.512
120 HE2 LYS 18 HE2 LYS 18 0.319 6.629 -7.298
121 HE3 LYS 18 HE3 LYS 18 1.540 7.883 -7.506
122 HZ1 LYS 18 HZ1 LYS 18 -0.843 8.646 -7.380
123 HZ2 LYS 18 HZ2 LYS 18 -1.065 7.961 -8.911
124 HZ3 LYS 18 HZ3 LYS 18 0.047 9.220 -8.700
125 H HIS 19 H HIS 19 4.692 5.194 -7.725
126 HA HIS 19 HA HIS 19 6.384 7.327 -7.246
127 HB2 HIS 19 HB2 HIS 19 6.044 4.819 -5.590
128 HB3 HIS 19 HB3 HIS 19 6.770 6.318 -5.018
129 HD1 HIS 19 HD1 HIS 19 5.217 7.965 -3.991
130 HD2 HIS 19 HD2 HIS 19 3.214 5.164 -6.317
131 HE1 HIS 19 HE1 HIS 19 2.770 8.420 -3.633
132 H LEU 20 H LEU 20 7.159 4.028 -8.091
133 HA LEU 20 HA LEU 20 10.024 4.606 -7.792
134 HB2 LEU 20 HB2 LEU 20 8.704 1.943 -8.277
135 HB3 LEU 20 HB3 LEU 20 10.392 2.231 -7.861
136 HG LEU 20 HG LEU 20 8.301 3.128 -5.943
137 HD11 LEU 20 HD11 LEU 20 8.212 0.910 -4.926
138 HD12 LEU 20 HD12 LEU 20 9.168 0.257 -6.256
139 HD13 LEU 20 HD13 LEU 20 7.552 0.893 -6.563
140 HD21 LEU 20 HD21 LEU 20 10.358 1.814 -4.645
141 HD22 LEU 20 HD22 LEU 20 10.198 3.558 -4.858
142 HD23 LEU 20 HD23 LEU 20 11.155 2.613 -6.000
143 H GLY 21 H GLY 21 11.425 3.507 -9.502
144 HA2 GLY 21 HA2 GLY 21 10.156 3.500 -12.147
145 HA3 GLY 21 HA3 GLY 21 11.483 4.618 -11.865
146 H CYS 22 H CYS 22 10.578 1.241 -12.128
147 HA CYS 22 HA CYS 22 12.963 -0.031 -11.621
148 HB2 CYS 22 HB2 CYS 22 10.679 -1.020 -12.290
149 HB3 CYS 22 HB3 CYS 22 11.228 -0.823 -13.951
150 H ARG 23 H ARG 23 14.931 0.291 -12.395
151 HA ARG 23 HA ARG 23 15.328 1.662 -14.913
152 HB2 ARG 23 HB2 ARG 23 17.082 0.823 -12.641
153 HB3 ARG 23 HB3 ARG 23 17.820 1.180 -14.197
154 HG2 ARG 23 HG2 ARG 23 16.535 3.393 -14.085
155 HG3 ARG 23 HG3 ARG 23 16.305 3.012 -12.377
156 HD2 ARG 23 HD2 ARG 23 18.238 4.258 -12.307
157 HD3 ARG 23 HD3 ARG 23 18.885 2.621 -12.414
158 HE ARG 23 HE ARG 23 18.749 3.358 -14.996
159 HH11 ARG 23 HH11 ARG 23 20.068 4.917 -12.176
160 HH12 ARG 23 HH12 ARG 23 21.304 5.754 -13.056
161 HH21 ARG 23 HH21 ARG 23 20.370 4.455 -16.166
162 HH22 ARG 23 HH22 ARG 23 21.474 5.491 -15.325
163 H THR 24 H THR 24 16.346 0.839 -16.726
164 HA THR 24 HA THR 24 16.063 -2.011 -17.105
165 HB THR 24 HB THR 24 16.484 -1.620 -19.424
166 HG1 THR 24 HG1 THR 24 17.101 1.096 -18.935
167 HG21 THR 24 HG21 THR 24 14.991 0.837 -18.536
168 HG22 THR 24 HG22 THR 24 14.306 -0.782 -18.397
169 HG23 THR 24 HG23 THR 24 14.733 -0.139 -19.982
170 H ASP 25 H ASP 25 18.603 0.228 -16.441
171 HA ASP 25 HA ASP 25 20.673 -1.686 -17.211
172 HB2 ASP 25 HB2 ASP 25 20.684 1.213 -16.431
173 HB3 ASP 25 HB3 ASP 25 22.171 0.270 -16.354
174 H LEU 26 H LEU 26 19.331 -0.101 -14.363
175 HA LEU 26 HA LEU 26 21.191 -1.471 -12.600
176 HB2 LEU 26 HB2 LEU 26 19.017 0.554 -12.204
177 HB3 LEU 26 HB3 LEU 26 19.709 -0.312 -10.833
178 HG LEU 26 HG LEU 26 20.746 1.854 -11.036
179 HD11 LEU 26 HD11 LEU 26 22.126 -0.600 -11.038
180 HD12 LEU 26 HD12 LEU 26 22.654 0.945 -10.372
181 HD13 LEU 26 HD13 LEU 26 23.064 0.515 -12.033
182 HD21 LEU 26 HD21 LEU 26 20.320 1.711 -13.670
183 HD22 LEU 26 HD22 LEU 26 22.020 1.240 -13.634
184 HD23 LEU 26 HD23 LEU 26 21.518 2.787 -12.950
185 H TYR 27 H TYR 27 17.826 -1.628 -13.575
186 HA TYR 27 HA TYR 27 16.217 -3.206 -13.271
187 HB2 TYR 27 HB2 TYR 27 18.743 -4.699 -12.925
188 HB3 TYR 27 HB3 TYR 27 17.312 -5.470 -12.249
189 HD1 TYR 27 HD1 TYR 27 17.377 -3.333 -15.271
190 HD2 TYR 27 HD2 TYR 27 17.116 -7.296 -13.744
191 HE1 TYR 27 HE1 TYR 27 16.767 -4.148 -17.509
192 HE2 TYR 27 HE2 TYR 27 16.506 -8.123 -15.979
193 HH TYR 27 HH TYR 27 15.964 -7.557 -18.067
194 H TYR 28 H TYR 28 16.095 -1.423 -11.377
195 HA TYR 28 HA TYR 28 15.190 -2.902 -9.080
196 HB2 TYR 28 HB2 TYR 28 16.663 -2.160 -7.468
197 HB3 TYR 28 HB3 TYR 28 17.753 -2.337 -8.838
198 HD1 TYR 28 HD1 TYR 28 17.709 -0.069 -10.391
199 HD2 TYR 28 HD2 TYR 28 17.012 -0.278 -6.199
200 HE1 TYR 28 HE1 TYR 28 18.375 2.288 -10.170
201 HE2 TYR 28 HE2 TYR 28 17.675 2.079 -5.966
202 HH TYR 28 HH TYR 28 18.091 3.997 -7.103
203 H CYS 29 H CYS 29 13.697 -1.776 -7.857
204 HA CYS 29 HA CYS 29 12.358 0.359 -9.136
205 HB2 CYS 29 HB2 CYS 29 12.073 -0.642 -6.294
206 HB3 CYS 29 HB3 CYS 29 10.928 0.397 -7.135
207 H ALA 30 H ALA 30 12.994 2.402 -9.218
208 HA ALA 30 HA ALA 30 14.716 3.463 -7.102
209 HB1 ALA 30 HB1 ALA 30 14.017 4.829 -9.688
210 HB2 ALA 30 HB2 ALA 30 15.384 5.142 -8.618
211 HB3 ALA 30 HB3 ALA 30 15.321 3.649 -9.555
212 H TRP 31 H TRP 31 13.463 4.124 -5.438
213 HA TRP 31 HA TRP 31 10.899 5.282 -5.703
214 HB2 TRP 31 HB2 TRP 31 11.709 4.174 -3.639
215 HB3 TRP 31 HB3 TRP 31 12.829 5.509 -3.383
216 HD1 TRP 31 HD1 TRP 31 11.607 7.990 -2.987
217 HE1 TRP 31 HE1 TRP 31 9.438 8.518 -1.705
218 HE3 TRP 31 HE3 TRP 31 9.503 3.331 -3.000
219 HZ2 TRP 31 HZ2 TRP 31 7.139 7.142 -0.818
220 HZ3 TRP 31 HZ3 TRP 31 7.316 3.021 -1.913
221 HH2 TRP 31 HH2 TRP 31 6.162 4.888 -0.844
222 H ASP 32 H ASP 32 10.528 7.159 -6.681
223 HA ASP 32 HA ASP 32 11.941 9.529 -5.782
224 HB2 ASP 32 HB2 ASP 32 13.232 8.598 -7.752
225 HB3 ASP 32 HB3 ASP 32 11.810 8.928 -8.738
226 H GLY 33 H GLY 33 9.656 8.361 -8.264
227 HA2 GLY 33 HA2 GLY 33 7.362 8.904 -8.348
228 HA3 GLY 33 HA3 GLY 33 7.657 10.225 -7.227
229 H THR 34 H THR 34 10.021 11.031 -8.943
230 HA THR 34 HA THR 34 8.526 12.204 -11.192
231 HB THR 34 HB THR 34 9.970 14.275 -10.859
232 HG1 THR 34 HG1 THR 34 11.478 13.676 -9.388
233 HG21 THR 34 HG21 THR 34 8.410 15.280 -9.387
234 HG22 THR 34 HG22 THR 34 8.068 13.747 -8.584
235 HG23 THR 34 HG23 THR 34 7.523 14.017 -10.239
236 H PHE 35 H PHE 35 9.399 11.466 -13.008
237 HA PHE 35 HA PHE 35 12.128 10.546 -13.111
238 HB2 PHE 35 HB2 PHE 35 9.752 10.420 -14.860
239 HB3 PHE 35 HB3 PHE 35 11.302 10.460 -15.694
240 HD1 PHE 35 HD1 PHE 35 11.911 8.366 -16.393
241 HD2 PHE 35 HD2 PHE 35 10.089 8.813 -12.572
242 HE1 PHE 35 HE1 PHE 35 12.193 5.958 -15.980
243 HE2 PHE 35 HE2 PHE 35 10.370 6.405 -12.152
244 HZ PHE 35 HZ PHE 35 11.422 4.973 -13.858
Start of MODEL 7
1 H1 SER 1 H SER 1 0.451 0.016 -0.040
2 HA SER 1 HA SER 1 2.443 0.771 -2.056
3 HB2 SER 1 HB2 SER 1 2.605 -0.441 0.680
4 HB3 SER 1 HB3 SER 1 3.919 -0.711 -0.464
5 HG SER 1 HG SER 1 3.878 1.261 1.035
6 H GLU 2 H GLU 2 1.493 -0.427 -3.770
7 HA GLU 2 HA GLU 2 1.526 -3.345 -3.469
8 HB2 GLU 2 HB2 GLU 2 0.239 -3.414 -5.537
9 HB3 GLU 2 HB3 GLU 2 -0.532 -2.352 -4.369
10 HG2 GLU 2 HG2 GLU 2 0.355 -0.406 -5.515
11 HG3 GLU 2 HG3 GLU 2 1.192 -1.449 -6.664
12 H CYS 3 H CYS 3 3.885 -1.485 -3.837
13 HA CYS 3 HA CYS 3 5.028 -2.861 -6.177
14 HB2 CYS 3 HB2 CYS 3 6.504 -0.756 -6.368
15 HB3 CYS 3 HB3 CYS 3 4.842 -0.652 -6.938
16 H ARG 4 H ARG 4 7.446 -2.946 -6.104
17 HA ARG 4 HA ARG 4 8.265 -3.914 -3.515
18 HB2 ARG 4 HB2 ARG 4 10.024 -3.662 -5.948
19 HB3 ARG 4 HB3 ARG 4 10.175 -4.789 -4.606
20 HG2 ARG 4 HG2 ARG 4 8.232 -6.001 -5.333
21 HG3 ARG 4 HG3 ARG 4 7.917 -4.808 -6.596
22 HD2 ARG 4 HD2 ARG 4 8.979 -6.458 -7.794
23 HD3 ARG 4 HD3 ARG 4 10.338 -5.419 -7.367
24 HE ARG 4 HE ARG 4 10.312 -7.184 -5.343
25 HH11 ARG 4 HH11 ARG 4 10.199 -7.587 -8.799
26 HH12 ARG 4 HH12 ARG 4 11.006 -9.119 -8.779
27 HH21 ARG 4 HH21 ARG 4 11.376 -9.202 -5.303
28 HH22 ARG 4 HH22 ARG 4 11.675 -10.037 -6.790
29 H TYR 5 H TYR 5 9.676 -2.998 -2.115
30 HA TYR 5 HA TYR 5 10.102 -0.205 -2.230
31 HB2 TYR 5 HB2 TYR 5 10.732 -2.399 -0.376
32 HB3 TYR 5 HB3 TYR 5 11.880 -1.066 -0.336
33 HD1 TYR 5 HD1 TYR 5 8.975 -2.289 1.104
34 HD2 TYR 5 HD2 TYR 5 10.657 1.341 -0.342
35 HE1 TYR 5 HE1 TYR 5 7.431 -1.013 2.531
36 HE2 TYR 5 HE2 TYR 5 9.118 2.628 1.083
37 HH TYR 5 HH TYR 5 7.825 2.121 3.321
38 H LEU 6 H LEU 6 12.372 0.723 -1.842
39 HA LEU 6 HA LEU 6 13.871 0.677 -4.100
40 HB2 LEU 6 HB2 LEU 6 14.070 2.101 -1.934
41 HB3 LEU 6 HB3 LEU 6 15.269 0.898 -1.464
42 HG LEU 6 HG LEU 6 16.258 1.526 -3.856
43 HD11 LEU 6 HD11 LEU 6 14.351 3.663 -3.216
44 HD12 LEU 6 HD12 LEU 6 15.054 3.189 -4.762
45 HD13 LEU 6 HD13 LEU 6 15.968 4.214 -3.655
46 HD21 LEU 6 HD21 LEU 6 17.870 2.817 -2.742
47 HD22 LEU 6 HD22 LEU 6 17.263 1.698 -1.522
48 HD23 LEU 6 HD23 LEU 6 16.714 3.374 -1.532
49 H PHE 7 H PHE 7 15.330 -0.608 -5.059
50 HA PHE 7 HA PHE 7 16.611 -2.430 -5.516
51 HB2 PHE 7 HB2 PHE 7 17.109 -2.234 -2.541
52 HB3 PHE 7 HB3 PHE 7 17.959 -3.361 -3.595
53 HD1 PHE 7 HD1 PHE 7 17.968 -0.124 -2.193
54 HD2 PHE 7 HD2 PHE 7 19.175 -2.317 -5.635
55 HE1 PHE 7 HE1 PHE 7 19.611 1.628 -2.728
56 HE2 PHE 7 HE2 PHE 7 20.821 -0.570 -6.175
57 HZ PHE 7 HZ PHE 7 21.041 1.406 -4.721
58 H GLY 8 H GLY 8 14.013 -3.033 -5.515
59 HA2 GLY 8 HA2 GLY 8 13.537 -5.323 -3.774
60 HA3 GLY 8 HA3 GLY 8 12.387 -4.609 -4.896
61 H GLY 9 H GLY 9 15.172 -4.902 -6.594
62 HA2 GLY 9 HA2 GLY 9 16.007 -6.438 -8.094
63 HA3 GLY 9 HA3 GLY 9 15.196 -7.696 -7.174
64 H CYS 10 H CYS 10 14.001 -4.880 -9.000
65 HA CYS 10 HA CYS 10 11.923 -6.522 -10.175
66 HB2 CYS 10 HB2 CYS 10 11.001 -4.478 -11.017
67 HB3 CYS 10 HB3 CYS 10 11.527 -4.176 -9.364
68 H LYS 11 H LYS 11 11.486 -5.857 -12.627
69 HA LYS 11 HA LYS 11 14.016 -6.099 -14.109
70 HB2 LYS 11 HB2 LYS 11 11.521 -7.764 -14.403
71 HB3 LYS 11 HB3 LYS 11 12.713 -7.631 -15.690
72 HG2 LYS 11 HG2 LYS 11 14.425 -8.418 -13.994
73 HG3 LYS 11 HG3 LYS 11 13.056 -8.825 -12.957
74 HD2 LYS 11 HD2 LYS 11 12.337 -10.519 -14.340
75 HD3 LYS 11 HD3 LYS 11 13.084 -9.808 -15.774
76 HE2 LYS 11 HE2 LYS 11 14.343 -11.745 -15.219
77 HE3 LYS 11 HE3 LYS 11 15.315 -10.348 -14.758
78 HZ1 LYS 11 HZ1 LYS 11 13.970 -12.320 -13.058
79 HZ2 LYS 11 HZ2 LYS 11 14.135 -10.742 -12.473
80 HZ3 LYS 11 HZ3 LYS 11 15.508 -11.633 -12.901
81 H THR 12 H THR 12 10.622 -5.167 -14.125
82 HA THR 12 HA THR 12 11.227 -3.264 -16.282
83 HB THR 12 HB THR 12 8.894 -3.637 -17.156
84 HG1 THR 12 HG1 THR 12 9.002 -6.123 -15.804
85 HG21 THR 12 HG21 THR 12 9.677 -6.143 -17.922
86 HG22 THR 12 HG22 THR 12 11.204 -5.420 -17.417
87 HG23 THR 12 HG23 THR 12 10.229 -4.641 -18.662
88 H THR 13 H THR 13 9.621 -1.486 -16.414
89 HA THR 13 HA THR 13 9.310 -0.199 -13.956
90 HB THR 13 HB THR 13 7.653 0.379 -16.415
91 HG1 THR 13 HG1 THR 13 10.303 1.224 -15.777
92 HG21 THR 13 HG21 THR 13 8.613 2.678 -15.018
93 HG22 THR 13 HG22 THR 13 7.834 1.594 -13.866
94 HG23 THR 13 HG23 THR 13 6.948 2.161 -15.281
95 H ALA 14 H ALA 14 7.132 -2.283 -15.747
96 HA ALA 14 HA ALA 14 4.757 -1.709 -14.356
97 HB1 ALA 14 HB1 ALA 14 3.912 -3.785 -15.251
98 HB2 ALA 14 HB2 ALA 14 4.862 -2.957 -16.485
99 HB3 ALA 14 HB3 ALA 14 5.548 -4.330 -15.618
100 H ASP 15 H ASP 15 7.540 -3.585 -13.504
101 HA ASP 15 HA ASP 15 6.358 -5.225 -11.524
102 HB2 ASP 15 HB2 ASP 15 9.210 -4.259 -11.816
103 HB3 ASP 15 HB3 ASP 15 8.687 -5.521 -10.704
104 H CYS 16 H CYS 16 7.468 -1.930 -11.542
105 HA CYS 16 HA CYS 16 6.943 -1.744 -8.649
106 HB2 CYS 16 HB2 CYS 16 8.449 0.330 -10.220
107 HB3 CYS 16 HB3 CYS 16 8.493 0.011 -8.490
108 H CYS 17 H CYS 17 6.240 0.584 -8.036
109 HA CYS 17 HA CYS 17 3.887 1.182 -9.653
110 HB2 CYS 17 HB2 CYS 17 3.209 2.572 -7.701
111 HB3 CYS 17 HB3 CYS 17 3.486 0.882 -7.290
112 H LYS 18 H LYS 18 3.275 3.611 -9.655
113 HA LYS 18 HA LYS 18 4.981 4.988 -11.325
114 HB2 LYS 18 HB2 LYS 18 3.667 7.030 -10.673
115 HB3 LYS 18 HB3 LYS 18 2.695 5.656 -11.182
116 HG2 LYS 18 HG2 LYS 18 2.439 5.105 -8.722
117 HG3 LYS 18 HG3 LYS 18 3.119 6.701 -8.401
118 HD2 LYS 18 HD2 LYS 18 1.263 7.461 -10.111
119 HD3 LYS 18 HD3 LYS 18 0.498 5.952 -9.603
120 HE2 LYS 18 HE2 LYS 18 1.104 6.896 -7.202
121 HE3 LYS 18 HE3 LYS 18 1.038 8.435 -8.059
122 HZ1 LYS 18 HZ1 LYS 18 -1.173 6.610 -8.539
123 HZ2 LYS 18 HZ2 LYS 18 -1.179 8.289 -8.331
124 HZ3 LYS 18 HZ3 LYS 18 -1.090 7.271 -6.983
125 H HIS 19 H HIS 19 4.693 5.233 -7.802
126 HA HIS 19 HA HIS 19 6.395 7.360 -7.331
127 HB2 HIS 19 HB2 HIS 19 6.049 4.857 -5.666
128 HB3 HIS 19 HB3 HIS 19 6.779 6.356 -5.101
129 HD1 HIS 19 HD1 HIS 19 5.230 8.011 -4.078
130 HD2 HIS 19 HD2 HIS 19 3.218 5.207 -6.392
131 HE1 HIS 19 HE1 HIS 19 2.785 8.472 -3.719
132 H LEU 20 H LEU 20 7.155 4.054 -8.163
133 HA LEU 20 HA LEU 20 10.023 4.628 -7.882
134 HB2 LEU 20 HB2 LEU 20 8.714 1.956 -8.335
135 HB3 LEU 20 HB3 LEU 20 10.394 2.262 -7.896
136 HG LEU 20 HG LEU 20 8.275 3.176 -6.020
137 HD11 LEU 20 HD11 LEU 20 9.125 0.298 -6.308
138 HD12 LEU 20 HD12 LEU 20 7.513 0.945 -6.613
139 HD13 LEU 20 HD13 LEU 20 8.175 0.964 -4.979
140 HD21 LEU 20 HD21 LEU 20 10.391 1.793 -4.780
141 HD22 LEU 20 HD22 LEU 20 10.092 3.530 -4.800
142 HD23 LEU 20 HD23 LEU 20 11.108 2.795 -6.041
143 H GLY 21 H GLY 21 11.414 3.510 -9.585
144 HA2 GLY 21 HA2 GLY 21 10.129 3.448 -12.220
145 HA3 GLY 21 HA3 GLY 21 11.444 4.586 -11.968
146 H CYS 22 H CYS 22 10.576 1.200 -12.187
147 HA CYS 22 HA CYS 22 12.967 -0.049 -11.662
148 HB2 CYS 22 HB2 CYS 22 10.692 -1.056 -12.345
149 HB3 CYS 22 HB3 CYS 22 11.259 -0.871 -14.001
150 H ARG 23 H ARG 23 14.938 0.282 -12.426
151 HA ARG 23 HA ARG 23 15.346 1.651 -14.939
152 HB2 ARG 23 HB2 ARG 23 17.076 0.821 -12.653
153 HB3 ARG 23 HB3 ARG 23 17.837 1.137 -14.206
154 HG2 ARG 23 HG2 ARG 23 16.517 3.363 -14.123
155 HG3 ARG 23 HG3 ARG 23 16.385 3.017 -12.397
156 HD2 ARG 23 HD2 ARG 23 18.315 4.279 -12.483
157 HD3 ARG 23 HD3 ARG 23 18.951 2.636 -12.548
158 HE ARG 23 HE ARG 23 19.661 3.022 -14.699
159 HH11 ARG 23 HH11 ARG 23 17.520 5.577 -13.697
160 HH12 ARG 23 HH12 ARG 23 17.859 6.577 -15.070
161 HH21 ARG 23 HH21 ARG 23 20.117 4.330 -16.512
162 HH22 ARG 23 HH22 ARG 23 19.336 5.866 -16.672
163 H THR 24 H THR 24 16.383 0.834 -16.749
164 HA THR 24 HA THR 24 16.088 -2.013 -17.144
165 HB THR 24 HB THR 24 16.561 -1.607 -19.463
166 HG1 THR 24 HG1 THR 24 17.371 0.992 -18.610
167 HG21 THR 24 HG21 THR 24 14.326 -0.965 -18.728
168 HG22 THR 24 HG22 THR 24 14.884 0.109 -20.011
169 HG23 THR 24 HG23 THR 24 14.905 0.652 -18.334
170 H ASP 25 H ASP 25 18.634 0.214 -16.456
171 HA ASP 25 HA ASP 25 20.701 -1.707 -17.214
172 HB2 ASP 25 HB2 ASP 25 20.767 0.875 -17.625
173 HB3 ASP 25 HB3 ASP 25 21.267 0.947 -15.938
174 H LEU 26 H LEU 26 19.345 -0.125 -14.374
175 HA LEU 26 HA LEU 26 21.186 -1.507 -12.600
176 HB2 LEU 26 HB2 LEU 26 19.032 0.538 -12.228
177 HB3 LEU 26 HB3 LEU 26 19.672 -0.350 -10.846
178 HG LEU 26 HG LEU 26 20.743 1.809 -11.020
179 HD11 LEU 26 HD11 LEU 26 22.735 0.995 -10.421
180 HD12 LEU 26 HD12 LEU 26 22.990 0.212 -11.981
181 HD13 LEU 26 HD13 LEU 26 22.028 -0.589 -10.741
182 HD21 LEU 26 HD21 LEU 26 20.462 1.544 -13.713
183 HD22 LEU 26 HD22 LEU 26 22.186 1.235 -13.506
184 HD23 LEU 26 HD23 LEU 26 21.485 2.744 -12.919
185 H TYR 27 H TYR 27 17.824 -1.644 -13.593
186 HA TYR 27 HA TYR 27 16.207 -3.216 -13.303
187 HB2 TYR 27 HB2 TYR 27 18.724 -4.723 -12.964
188 HB3 TYR 27 HB3 TYR 27 17.290 -5.491 -12.294
189 HD1 TYR 27 HD1 TYR 27 17.386 -3.339 -15.306
190 HD2 TYR 27 HD2 TYR 27 17.069 -7.305 -13.797
191 HE1 TYR 27 HE1 TYR 27 16.772 -4.138 -17.550
192 HE2 TYR 27 HE2 TYR 27 16.455 -8.115 -16.036
193 HH TYR 27 HH TYR 27 15.949 -5.883 -18.723
194 H TYR 28 H TYR 28 16.091 -1.444 -11.395
195 HA TYR 28 HA TYR 28 15.178 -2.938 -9.110
196 HB2 TYR 28 HB2 TYR 28 16.647 -2.203 -7.491
197 HB3 TYR 28 HB3 TYR 28 17.740 -2.374 -8.861
198 HD1 TYR 28 HD1 TYR 28 17.658 -0.088 -10.410
199 HD2 TYR 28 HD2 TYR 28 17.034 -0.338 -6.208
200 HE1 TYR 28 HE1 TYR 28 18.323 2.268 -10.177
201 HE2 TYR 28 HE2 TYR 28 17.696 2.019 -5.964
202 HH TYR 28 HH TYR 28 19.377 3.676 -7.981
203 H CYS 29 H CYS 29 13.712 -1.800 -7.845
204 HA CYS 29 HA CYS 29 12.379 0.352 -9.129
205 HB2 CYS 29 HB2 CYS 29 12.045 -0.716 -6.317
206 HB3 CYS 29 HB3 CYS 29 10.919 0.354 -7.148
207 H ALA 30 H ALA 30 13.025 2.393 -9.156
208 HA ALA 30 HA ALA 30 14.699 3.403 -6.973
209 HB1 ALA 30 HB1 ALA 30 15.467 3.629 -9.335
210 HB2 ALA 30 HB2 ALA 30 14.113 4.724 -9.616
211 HB3 ALA 30 HB3 ALA 30 15.368 5.154 -8.455
212 H TRP 31 H TRP 31 13.411 4.079 -5.346
213 HA TRP 31 HA TRP 31 10.863 5.254 -5.682
214 HB2 TRP 31 HB2 TRP 31 11.571 4.141 -3.598
215 HB3 TRP 31 HB3 TRP 31 12.739 5.429 -3.314
216 HD1 TRP 31 HD1 TRP 31 11.591 7.966 -2.973
217 HE1 TRP 31 HE1 TRP 31 9.425 8.576 -1.723
218 HE3 TRP 31 HE3 TRP 31 9.346 3.374 -2.956
219 HZ2 TRP 31 HZ2 TRP 31 7.076 7.279 -0.845
220 HZ3 TRP 31 HZ3 TRP 31 7.140 3.143 -1.890
221 HH2 TRP 31 HH2 TRP 31 6.031 5.057 -0.857
222 H ASP 32 H ASP 32 10.551 7.130 -6.687
223 HA ASP 32 HA ASP 32 12.027 9.473 -5.771
224 HB2 ASP 32 HB2 ASP 32 13.171 8.522 -7.829
225 HB3 ASP 32 HB3 ASP 32 11.709 8.929 -8.723
226 H GLY 33 H GLY 33 9.594 8.424 -8.166
227 HA2 GLY 33 HA2 GLY 33 7.296 9.016 -8.047
228 HA3 GLY 33 HA3 GLY 33 7.726 10.364 -7.004
229 H THR 34 H THR 34 9.977 11.013 -8.926
230 HA THR 34 HA THR 34 8.380 12.108 -11.139
231 HB THR 34 HB THR 34 9.728 14.227 -10.961
232 HG1 THR 34 HG1 THR 34 11.389 13.877 -9.633
233 HG21 THR 34 HG21 THR 34 8.169 13.824 -8.432
234 HG22 THR 34 HG22 THR 34 7.361 13.785 -9.999
235 HG23 THR 34 HG23 THR 34 8.230 15.232 -9.491
236 H PHE 35 H PHE 35 9.333 12.033 -13.097
237 HA PHE 35 HA PHE 35 12.213 11.505 -13.251
238 HB2 PHE 35 HB2 PHE 35 10.063 9.875 -14.617
239 HB3 PHE 35 HB3 PHE 35 11.777 9.771 -15.001
240 HD1 PHE 35 HD1 PHE 35 13.094 9.772 -12.451
241 HD2 PHE 35 HD2 PHE 35 9.428 7.927 -13.579
242 HE1 PHE 35 HE1 PHE 35 13.392 8.100 -10.671
243 HE2 PHE 35 HE2 PHE 35 9.719 6.253 -11.801
244 HZ PHE 35 HZ PHE 35 11.704 6.336 -10.344
Start of MODEL 8
1 H1 SER 1 H SER 1 0.961 -0.039 0.454
2 HA SER 1 HA SER 1 2.257 0.883 -2.005
3 HB2 SER 1 HB2 SER 1 3.605 1.151 -0.023
4 HB3 SER 1 HB3 SER 1 3.345 -0.531 0.440
5 HG SER 1 HG SER 1 5.361 -0.294 -0.554
6 H GLU 2 H GLU 2 1.569 -0.347 -3.669
7 HA GLU 2 HA GLU 2 1.549 -3.264 -3.343
8 HB2 GLU 2 HB2 GLU 2 0.201 -1.386 -5.252
9 HB3 GLU 2 HB3 GLU 2 0.435 -3.070 -5.699
10 HG2 GLU 2 HG2 GLU 2 -0.687 -3.597 -3.443
11 HG3 GLU 2 HG3 GLU 2 -1.230 -1.921 -3.498
12 H CYS 3 H CYS 3 3.925 -1.441 -3.771
13 HA CYS 3 HA CYS 3 4.999 -2.842 -6.129
14 HB2 CYS 3 HB2 CYS 3 6.514 -0.760 -6.337
15 HB3 CYS 3 HB3 CYS 3 4.847 -0.633 -6.891
16 H ARG 4 H ARG 4 7.425 -2.947 -6.102
17 HA ARG 4 HA ARG 4 8.274 -3.935 -3.526
18 HB2 ARG 4 HB2 ARG 4 9.982 -3.731 -5.998
19 HB3 ARG 4 HB3 ARG 4 10.144 -4.852 -4.653
20 HG2 ARG 4 HG2 ARG 4 8.162 -6.031 -5.325
21 HG3 ARG 4 HG3 ARG 4 7.841 -4.842 -6.590
22 HD2 ARG 4 HD2 ARG 4 8.924 -6.285 -7.924
23 HD3 ARG 4 HD3 ARG 4 10.379 -5.603 -7.198
24 HE ARG 4 HE ARG 4 10.723 -7.587 -6.112
25 HH11 ARG 4 HH11 ARG 4 7.450 -7.486 -7.293
26 HH12 ARG 4 HH12 ARG 4 7.116 -9.139 -6.892
27 HH21 ARG 4 HH21 ARG 4 10.295 -9.763 -5.578
28 HH22 ARG 4 HH22 ARG 4 8.734 -10.432 -5.915
29 H TYR 5 H TYR 5 9.578 -2.953 -2.104
30 HA TYR 5 HA TYR 5 10.110 -0.202 -2.276
31 HB2 TYR 5 HB2 TYR 5 10.716 -2.385 -0.400
32 HB3 TYR 5 HB3 TYR 5 11.884 -1.070 -0.383
33 HD1 TYR 5 HD1 TYR 5 8.978 -2.230 1.099
34 HD2 TYR 5 HD2 TYR 5 10.691 1.357 -0.418
35 HE1 TYR 5 HE1 TYR 5 7.462 -0.912 2.520
36 HE2 TYR 5 HE2 TYR 5 9.181 2.684 0.999
37 HH TYR 5 HH TYR 5 6.705 1.133 3.003
38 H LEU 6 H LEU 6 12.398 0.690 -1.917
39 HA LEU 6 HA LEU 6 13.881 0.572 -4.188
40 HB2 LEU 6 HB2 LEU 6 14.109 2.066 -2.085
41 HB3 LEU 6 HB3 LEU 6 15.270 0.853 -1.550
42 HG LEU 6 HG LEU 6 16.296 1.366 -3.961
43 HD11 LEU 6 HD11 LEU 6 16.100 4.065 -3.832
44 HD12 LEU 6 HD12 LEU 6 14.462 3.584 -3.391
45 HD13 LEU 6 HD13 LEU 6 15.157 3.045 -4.919
46 HD21 LEU 6 HD21 LEU 6 16.899 3.371 -1.848
47 HD22 LEU 6 HD22 LEU 6 17.995 2.416 -2.846
48 HD23 LEU 6 HD23 LEU 6 17.154 1.664 -1.489
49 H PHE 7 H PHE 7 15.416 -0.695 -5.082
50 HA PHE 7 HA PHE 7 16.688 -2.534 -5.491
51 HB2 PHE 7 HB2 PHE 7 17.089 -2.202 -2.528
52 HB3 PHE 7 HB3 PHE 7 17.847 -3.526 -3.407
53 HD1 PHE 7 HD1 PHE 7 17.965 -0.023 -2.605
54 HD2 PHE 7 HD2 PHE 7 19.441 -3.005 -5.261
55 HE1 PHE 7 HE1 PHE 7 19.810 1.471 -3.253
56 HE2 PHE 7 HE2 PHE 7 21.288 -1.516 -5.912
57 HZ PHE 7 HZ PHE 7 21.475 0.725 -4.907
58 H GLY 8 H GLY 8 13.986 -3.011 -5.430
59 HA2 GLY 8 HA2 GLY 8 13.467 -5.342 -3.781
60 HA3 GLY 8 HA3 GLY 8 12.348 -4.589 -4.908
61 H GLY 9 H GLY 9 15.178 -4.934 -6.545
62 HA2 GLY 9 HA2 GLY 9 15.982 -6.448 -8.079
63 HA3 GLY 9 HA3 GLY 9 15.164 -7.709 -7.168
64 H CYS 10 H CYS 10 13.986 -4.875 -8.979
65 HA CYS 10 HA CYS 10 11.898 -6.496 -10.160
66 HB2 CYS 10 HB2 CYS 10 10.984 -4.446 -10.985
67 HB3 CYS 10 HB3 CYS 10 11.533 -4.142 -9.340
68 H LYS 11 H LYS 11 11.462 -5.849 -12.606
69 HA LYS 11 HA LYS 11 13.991 -6.089 -14.092
70 HB2 LYS 11 HB2 LYS 11 11.468 -7.621 -14.739
71 HB3 LYS 11 HB3 LYS 11 13.024 -7.757 -15.548
72 HG2 LYS 11 HG2 LYS 11 12.554 -8.457 -12.659
73 HG3 LYS 11 HG3 LYS 11 12.519 -9.619 -13.988
74 HD2 LYS 11 HD2 LYS 11 14.804 -9.363 -14.422
75 HD3 LYS 11 HD3 LYS 11 14.895 -7.841 -13.532
76 HE2 LYS 11 HE2 LYS 11 14.293 -9.219 -11.468
77 HE3 LYS 11 HE3 LYS 11 14.662 -10.635 -12.450
78 HZ1 LYS 11 HZ1 LYS 11 16.467 -8.553 -11.441
79 HZ2 LYS 11 HZ2 LYS 11 16.855 -9.328 -12.895
80 HZ3 LYS 11 HZ3 LYS 11 16.674 -10.232 -11.476
81 H THR 12 H THR 12 10.594 -5.163 -14.111
82 HA THR 12 HA THR 12 11.198 -3.260 -16.269
83 HB THR 12 HB THR 12 8.905 -3.633 -17.183
84 HG1 THR 12 HG1 THR 12 8.032 -5.792 -16.539
85 HG21 THR 12 HG21 THR 12 9.444 -5.706 -18.364
86 HG22 THR 12 HG22 THR 12 10.690 -6.071 -17.171
87 HG23 THR 12 HG23 THR 12 10.865 -4.672 -18.231
88 H THR 13 H THR 13 9.587 -1.484 -16.403
89 HA THR 13 HA THR 13 9.283 -0.191 -13.950
90 HB THR 13 HB THR 13 7.609 0.381 -16.397
91 HG1 THR 13 HG1 THR 13 9.350 1.625 -17.115
92 HG21 THR 13 HG21 THR 13 6.916 2.158 -15.250
93 HG22 THR 13 HG22 THR 13 8.585 2.689 -15.040
94 HG23 THR 13 HG23 THR 13 7.845 1.613 -13.854
95 H ALA 14 H ALA 14 7.094 -2.274 -15.732
96 HA ALA 14 HA ALA 14 4.728 -1.701 -14.327
97 HB1 ALA 14 HB1 ALA 14 4.963 -3.000 -16.483
98 HB2 ALA 14 HB2 ALA 14 5.422 -4.385 -15.492
99 HB3 ALA 14 HB3 ALA 14 3.827 -3.655 -15.302
100 H ASP 15 H ASP 15 7.514 -3.580 -13.493
101 HA ASP 15 HA ASP 15 6.342 -5.222 -11.508
102 HB2 ASP 15 HB2 ASP 15 9.195 -4.258 -11.804
103 HB3 ASP 15 HB3 ASP 15 8.670 -5.533 -10.706
104 H CYS 16 H CYS 16 7.453 -1.928 -11.529
105 HA CYS 16 HA CYS 16 6.951 -1.746 -8.632
106 HB2 CYS 16 HB2 CYS 16 8.447 0.320 -10.230
107 HB3 CYS 16 HB3 CYS 16 8.488 0.031 -8.493
108 H CYS 17 H CYS 17 6.247 0.580 -8.010
109 HA CYS 17 HA CYS 17 3.877 1.172 -9.604
110 HB2 CYS 17 HB2 CYS 17 3.208 2.553 -7.646
111 HB3 CYS 17 HB3 CYS 17 3.510 0.868 -7.233
112 H LYS 18 H LYS 18 3.260 3.601 -9.593
113 HA LYS 18 HA LYS 18 4.949 4.983 -11.281
114 HB2 LYS 18 HB2 LYS 18 3.626 7.008 -10.671
115 HB3 LYS 18 HB3 LYS 18 2.637 5.613 -11.083
116 HG2 LYS 18 HG2 LYS 18 2.526 5.175 -8.568
117 HG3 LYS 18 HG3 LYS 18 3.139 6.821 -8.387
118 HD2 LYS 18 HD2 LYS 18 1.223 7.549 -9.878
119 HD3 LYS 18 HD3 LYS 18 0.567 5.924 -9.669
120 HE2 LYS 18 HE2 LYS 18 1.224 7.819 -7.416
121 HE3 LYS 18 HE3 LYS 18 -0.387 7.592 -8.098
122 HZ1 LYS 18 HZ1 LYS 18 -0.497 6.118 -6.401
123 HZ2 LYS 18 HZ2 LYS 18 1.168 5.822 -6.374
124 HZ3 LYS 18 HZ3 LYS 18 0.198 5.088 -7.550
125 H HIS 19 H HIS 19 4.698 5.209 -7.756
126 HA HIS 19 HA HIS 19 6.386 7.349 -7.290
127 HB2 HIS 19 HB2 HIS 19 6.151 4.836 -5.620
128 HB3 HIS 19 HB3 HIS 19 6.763 6.391 -5.067
129 HD1 HIS 19 HD1 HIS 19 4.385 5.110 -3.645
130 HD2 HIS 19 HD2 HIS 19 4.014 7.801 -6.787
131 HE1 HIS 19 HE1 HIS 19 2.088 6.107 -3.408
132 H LEU 20 H LEU 20 7.166 4.052 -8.150
133 HA LEU 20 HA LEU 20 10.032 4.664 -7.919
134 HB2 LEU 20 HB2 LEU 20 8.759 1.966 -8.319
135 HB3 LEU 20 HB3 LEU 20 10.438 2.307 -7.902
136 HG LEU 20 HG LEU 20 8.364 3.241 -6.002
137 HD11 LEU 20 HD11 LEU 20 7.563 1.003 -6.645
138 HD12 LEU 20 HD12 LEU 20 8.128 1.065 -4.976
139 HD13 LEU 20 HD13 LEU 20 9.140 0.336 -6.224
140 HD21 LEU 20 HD21 LEU 20 10.488 1.755 -4.846
141 HD22 LEU 20 HD22 LEU 20 10.184 3.491 -4.761
142 HD23 LEU 20 HD23 LEU 20 11.171 2.830 -6.066
143 H GLY 21 H GLY 21 11.404 3.546 -9.635
144 HA2 GLY 21 HA2 GLY 21 10.067 3.437 -12.244
145 HA3 GLY 21 HA3 GLY 21 11.376 4.591 -12.030
146 H CYS 22 H CYS 22 10.535 1.195 -12.197
147 HA CYS 22 HA CYS 22 12.950 -0.025 -11.705
148 HB2 CYS 22 HB2 CYS 22 10.669 -1.061 -12.329
149 HB3 CYS 22 HB3 CYS 22 11.205 -0.894 -13.998
150 H ARG 23 H ARG 23 14.901 0.319 -12.513
151 HA ARG 23 HA ARG 23 15.210 1.593 -15.107
152 HB2 ARG 23 HB2 ARG 23 17.046 0.995 -12.812
153 HB3 ARG 23 HB3 ARG 23 17.713 1.392 -14.391
154 HG2 ARG 23 HG2 ARG 23 16.374 3.499 -14.341
155 HG3 ARG 23 HG3 ARG 23 15.938 3.110 -12.676
156 HD2 ARG 23 HD2 ARG 23 17.759 4.444 -12.310
157 HD3 ARG 23 HD3 ARG 23 18.545 2.869 -12.403
158 HE ARG 23 HE ARG 23 18.642 3.714 -14.954
159 HH11 ARG 23 HH11 ARG 23 19.505 5.231 -11.942
160 HH12 ARG 23 HH12 ARG 23 20.761 6.199 -12.639
161 HH21 ARG 23 HH21 ARG 23 20.292 4.985 -15.884
162 HH22 ARG 23 HH22 ARG 23 21.207 6.060 -14.881
163 H THR 24 H THR 24 16.296 0.717 -16.856
164 HA THR 24 HA THR 24 16.207 -2.166 -17.033
165 HB THR 24 HB THR 24 15.448 -0.663 -18.897
166 HG1 THR 24 HG1 THR 24 15.812 -2.399 -20.035
167 HG21 THR 24 HG21 THR 24 18.408 -0.275 -19.352
168 HG22 THR 24 HG22 THR 24 17.323 0.958 -18.711
169 HG23 THR 24 HG23 THR 24 17.094 0.347 -20.349
170 H ASP 25 H ASP 25 18.571 0.257 -16.452
171 HA ASP 25 HA ASP 25 20.791 -1.498 -17.164
172 HB2 ASP 25 HB2 ASP 25 20.519 1.395 -16.473
173 HB3 ASP 25 HB3 ASP 25 22.072 0.609 -16.198
174 H LEU 26 H LEU 26 19.217 -0.110 -14.349
175 HA LEU 26 HA LEU 26 21.158 -1.364 -12.563
176 HB2 LEU 26 HB2 LEU 26 18.883 0.550 -12.126
177 HB3 LEU 26 HB3 LEU 26 19.724 -0.233 -10.790
178 HG LEU 26 HG LEU 26 20.615 1.964 -11.036
179 HD11 LEU 26 HD11 LEU 26 22.156 -0.131 -10.801
180 HD12 LEU 26 HD12 LEU 26 22.858 1.466 -11.060
181 HD13 LEU 26 HD13 LEU 26 22.706 0.340 -12.409
182 HD21 LEU 26 HD21 LEU 26 19.879 1.934 -13.575
183 HD22 LEU 26 HD22 LEU 26 21.569 1.491 -13.811
184 HD23 LEU 26 HD23 LEU 26 21.158 3.000 -12.996
185 H TYR 27 H TYR 27 17.806 -1.611 -13.562
186 HA TYR 27 HA TYR 27 16.235 -3.228 -13.264
187 HB2 TYR 27 HB2 TYR 27 18.796 -4.658 -12.901
188 HB3 TYR 27 HB3 TYR 27 17.375 -5.467 -12.249
189 HD1 TYR 27 HD1 TYR 27 17.484 -3.316 -15.266
190 HD2 TYR 27 HD2 TYR 27 17.192 -7.281 -13.748
191 HE1 TYR 27 HE1 TYR 27 16.922 -4.132 -17.519
192 HE2 TYR 27 HE2 TYR 27 16.630 -8.106 -15.997
193 HH TYR 27 HH TYR 27 15.650 -6.166 -18.475
194 H TYR 28 H TYR 28 16.062 -1.451 -11.365
195 HA TYR 28 HA TYR 28 15.154 -2.944 -9.088
196 HB2 TYR 28 HB2 TYR 28 16.619 -2.234 -7.455
197 HB3 TYR 28 HB3 TYR 28 17.719 -2.403 -8.819
198 HD1 TYR 28 HD1 TYR 28 17.674 -0.107 -10.350
199 HD2 TYR 28 HD2 TYR 28 17.009 -0.380 -6.156
200 HE1 TYR 28 HE1 TYR 28 18.357 2.242 -10.095
201 HE2 TYR 28 HE2 TYR 28 17.688 1.969 -5.889
202 HH TYR 28 HH TYR 28 19.384 3.644 -8.014
203 H CYS 29 H CYS 29 13.681 -1.809 -7.834
204 HA CYS 29 HA CYS 29 12.367 0.355 -9.106
205 HB2 CYS 29 HB2 CYS 29 12.037 -0.703 -6.290
206 HB3 CYS 29 HB3 CYS 29 10.914 0.369 -7.120
207 H ALA 30 H ALA 30 13.024 2.391 -9.138
208 HA ALA 30 HA ALA 30 14.711 3.397 -6.964
209 HB1 ALA 30 HB1 ALA 30 15.845 4.031 -8.810
210 HB2 ALA 30 HB2 ALA 30 14.402 4.042 -9.825
211 HB3 ALA 30 HB3 ALA 30 14.736 5.401 -8.752
212 H TRP 31 H TRP 31 13.436 4.086 -5.334
213 HA TRP 31 HA TRP 31 10.892 5.271 -5.657
214 HB2 TRP 31 HB2 TRP 31 11.633 4.166 -3.572
215 HB3 TRP 31 HB3 TRP 31 12.782 5.474 -3.302
216 HD1 TRP 31 HD1 TRP 31 11.595 7.994 -2.970
217 HE1 TRP 31 HE1 TRP 31 9.423 8.577 -1.717
218 HE3 TRP 31 HE3 TRP 31 9.420 3.369 -2.922
219 HZ2 TRP 31 HZ2 TRP 31 7.096 7.251 -0.827
220 HZ3 TRP 31 HZ3 TRP 31 7.220 3.111 -1.850
221 HH2 TRP 31 HH2 TRP 31 6.084 5.013 -0.824
222 H ASP 32 H ASP 32 10.586 7.135 -6.687
223 HA ASP 32 HA ASP 32 12.056 9.486 -5.784
224 HB2 ASP 32 HB2 ASP 32 13.209 8.496 -7.832
225 HB3 ASP 32 HB3 ASP 32 11.765 8.940 -8.738
226 H GLY 33 H GLY 33 9.653 8.412 -8.200
227 HA2 GLY 33 HA2 GLY 33 7.351 9.001 -8.103
228 HA3 GLY 33 HA3 GLY 33 7.773 10.370 -7.085
229 H THR 34 H THR 34 10.040 10.979 -9.003
230 HA THR 34 HA THR 34 8.451 12.049 -11.235
231 HB THR 34 HB THR 34 9.903 14.128 -11.097
232 HG1 THR 34 HG1 THR 34 11.482 13.773 -9.681
233 HG21 THR 34 HG21 THR 34 8.277 13.963 -8.606
234 HG22 THR 34 HG22 THR 34 7.471 13.707 -10.154
235 HG23 THR 34 HG23 THR 34 8.323 15.219 -9.843
236 H PHE 35 H PHE 35 9.350 11.803 -13.189
237 HA PHE 35 HA PHE 35 12.231 11.298 -13.380
238 HB2 PHE 35 HB2 PHE 35 10.085 9.581 -14.643
239 HB3 PHE 35 HB3 PHE 35 11.808 9.446 -14.977
240 HD1 PHE 35 HD1 PHE 35 13.133 9.511 -12.491
241 HD2 PHE 35 HD2 PHE 35 9.343 7.805 -13.407
242 HE1 PHE 35 HE1 PHE 35 13.379 7.958 -10.598
243 HE2 PHE 35 HE2 PHE 35 9.582 6.250 -11.515
244 HZ PHE 35 HZ PHE 35 11.602 6.326 -10.107
Start of MODEL 9
1 H1 SER 1 H SER 1 1.021 0.029 0.563
2 HA SER 1 HA SER 1 2.223 0.884 -1.952
3 HB2 SER 1 HB2 SER 1 3.259 -0.225 0.621
4 HB3 SER 1 HB3 SER 1 4.222 -0.454 -0.838
5 HG SER 1 HG SER 1 4.583 1.651 -0.955
6 H GLU 2 H GLU 2 1.583 -0.346 -3.623
7 HA GLU 2 HA GLU 2 1.542 -3.263 -3.289
8 HB2 GLU 2 HB2 GLU 2 0.178 -3.343 -5.289
9 HB3 GLU 2 HB3 GLU 2 -0.519 -2.202 -4.149
10 HG2 GLU 2 HG2 GLU 2 0.502 -0.354 -5.410
11 HG3 GLU 2 HG3 GLU 2 1.119 -1.520 -6.578
12 H CYS 3 H CYS 3 3.918 -1.444 -3.732
13 HA CYS 3 HA CYS 3 4.976 -2.847 -6.095
14 HB2 CYS 3 HB2 CYS 3 6.494 -0.767 -6.309
15 HB3 CYS 3 HB3 CYS 3 4.826 -0.638 -6.857
16 H ARG 4 H ARG 4 7.422 -2.906 -6.082
17 HA ARG 4 HA ARG 4 8.277 -3.912 -3.509
18 HB2 ARG 4 HB2 ARG 4 9.967 -3.716 -5.995
19 HB3 ARG 4 HB3 ARG 4 10.140 -4.831 -4.647
20 HG2 ARG 4 HG2 ARG 4 8.155 -6.015 -5.300
21 HG3 ARG 4 HG3 ARG 4 7.820 -4.830 -6.563
22 HD2 ARG 4 HD2 ARG 4 8.890 -6.280 -7.901
23 HD3 ARG 4 HD3 ARG 4 10.350 -5.585 -7.199
24 HE ARG 4 HE ARG 4 10.753 -7.601 -6.225
25 HH11 ARG 4 HH11 ARG 4 7.348 -7.376 -6.915
26 HH12 ARG 4 HH12 ARG 4 7.003 -8.991 -6.392
27 HH21 ARG 4 HH21 ARG 4 10.311 -9.729 -5.533
28 HH22 ARG 4 HH22 ARG 4 8.689 -10.328 -5.604
29 H TYR 5 H TYR 5 9.599 -2.933 -2.101
30 HA TYR 5 HA TYR 5 10.133 -0.180 -2.287
31 HB2 TYR 5 HB2 TYR 5 10.744 -2.357 -0.402
32 HB3 TYR 5 HB3 TYR 5 11.907 -1.037 -0.393
33 HD1 TYR 5 HD1 TYR 5 8.997 -2.203 1.088
34 HD2 TYR 5 HD2 TYR 5 10.716 1.385 -0.424
35 HE1 TYR 5 HE1 TYR 5 7.479 -0.885 2.506
36 HE2 TYR 5 HE2 TYR 5 9.204 2.712 0.991
37 HH TYR 5 HH TYR 5 7.561 1.520 3.550
38 H LEU 6 H LEU 6 12.425 0.705 -1.938
39 HA LEU 6 HA LEU 6 13.901 0.571 -4.213
40 HB2 LEU 6 HB2 LEU 6 14.138 2.069 -2.109
41 HB3 LEU 6 HB3 LEU 6 15.309 0.860 -1.588
42 HG LEU 6 HG LEU 6 16.334 1.363 -3.983
43 HD11 LEU 6 HD11 LEU 6 14.423 3.528 -3.516
44 HD12 LEU 6 HD12 LEU 6 15.197 2.995 -5.008
45 HD13 LEU 6 HD13 LEU 6 16.056 4.071 -3.905
46 HD21 LEU 6 HD21 LEU 6 17.939 2.718 -2.920
47 HD22 LEU 6 HD22 LEU 6 17.322 1.647 -1.661
48 HD23 LEU 6 HD23 LEU 6 16.771 3.321 -1.744
49 H PHE 7 H PHE 7 15.426 -0.709 -5.106
50 HA PHE 7 HA PHE 7 16.696 -2.552 -5.506
51 HB2 PHE 7 HB2 PHE 7 17.073 -2.376 -2.513
52 HB3 PHE 7 HB3 PHE 7 17.960 -3.494 -3.543
53 HD1 PHE 7 HD1 PHE 7 17.938 -0.282 -2.094
54 HD2 PHE 7 HD2 PHE 7 19.250 -2.424 -5.531
55 HE1 PHE 7 HE1 PHE 7 19.609 1.467 -2.542
56 HE2 PHE 7 HE2 PHE 7 20.924 -0.679 -5.984
57 HZ PHE 7 HZ PHE 7 21.106 1.269 -4.488
58 H GLY 8 H GLY 8 13.990 -3.018 -5.439
59 HA2 GLY 8 HA2 GLY 8 13.461 -5.339 -3.780
60 HA3 GLY 8 HA3 GLY 8 12.349 -4.589 -4.914
61 H GLY 9 H GLY 9 15.155 -4.937 -6.568
62 HA2 GLY 9 HA2 GLY 9 15.961 -6.466 -8.088
63 HA3 GLY 9 HA3 GLY 9 15.146 -7.721 -7.166
64 H CYS 10 H CYS 10 13.962 -4.898 -8.989
65 HA CYS 10 HA CYS 10 11.872 -6.528 -10.158
66 HB2 CYS 10 HB2 CYS 10 10.967 -4.474 -11.008
67 HB3 CYS 10 HB3 CYS 10 11.483 -4.183 -9.351
68 H LYS 11 H LYS 11 11.432 -5.861 -12.609
69 HA LYS 11 HA LYS 11 13.957 -6.134 -14.095
70 HB2 LYS 11 HB2 LYS 11 11.405 -7.684 -14.564
71 HB3 LYS 11 HB3 LYS 11 12.798 -7.704 -15.637
72 HG2 LYS 11 HG2 LYS 11 14.123 -8.497 -13.597
73 HG3 LYS 11 HG3 LYS 11 12.549 -8.819 -12.866
74 HD2 LYS 11 HD2 LYS 11 11.985 -10.252 -14.799
75 HD3 LYS 11 HD3 LYS 11 13.602 -9.975 -15.449
76 HE2 LYS 11 HE2 LYS 11 13.656 -12.067 -14.327
77 HE3 LYS 11 HE3 LYS 11 14.511 -10.915 -13.303
78 HZ1 LYS 11 HZ1 LYS 11 12.692 -12.537 -12.345
79 HZ2 LYS 11 HZ2 LYS 11 11.652 -11.293 -12.825
80 HZ3 LYS 11 HZ3 LYS 11 12.899 -10.976 -11.726
81 H THR 12 H THR 12 10.582 -5.138 -14.101
82 HA THR 12 HA THR 12 11.220 -3.233 -16.246
83 HB THR 12 HB THR 12 8.938 -3.572 -17.192
84 HG1 THR 12 HG1 THR 12 7.809 -4.567 -15.584
85 HG21 THR 12 HG21 THR 12 9.478 -5.966 -18.079
86 HG22 THR 12 HG22 THR 12 10.987 -5.752 -17.189
87 HG23 THR 12 HG23 THR 12 10.554 -4.625 -18.474
88 H THR 13 H THR 13 9.608 -1.449 -16.382
89 HA THR 13 HA THR 13 9.306 -0.168 -13.918
90 HB THR 13 HB THR 13 7.598 0.465 -16.319
91 HG1 THR 13 HG1 THR 13 10.372 0.841 -15.918
92 HG21 THR 13 HG21 THR 13 8.420 1.835 -13.843
93 HG22 THR 13 HG22 THR 13 6.977 2.052 -14.834
94 HG23 THR 13 HG23 THR 13 8.495 2.814 -15.307
95 H ALA 14 H ALA 14 7.110 -2.216 -15.731
96 HA ALA 14 HA ALA 14 4.742 -1.634 -14.333
97 HB1 ALA 14 HB1 ALA 14 5.480 -4.269 -15.596
98 HB2 ALA 14 HB2 ALA 14 3.858 -3.652 -15.278
99 HB3 ALA 14 HB3 ALA 14 4.876 -2.871 -16.486
100 H ASP 15 H ASP 15 7.508 -3.542 -13.502
101 HA ASP 15 HA ASP 15 6.312 -5.201 -11.546
102 HB2 ASP 15 HB2 ASP 15 9.173 -4.247 -11.804
103 HB3 ASP 15 HB3 ASP 15 8.631 -5.537 -10.733
104 H CYS 16 H CYS 16 7.441 -1.912 -11.519
105 HA CYS 16 HA CYS 16 6.921 -1.762 -8.624
106 HB2 CYS 16 HB2 CYS 16 8.429 0.325 -10.176
107 HB3 CYS 16 HB3 CYS 16 8.471 -0.008 -8.448
108 H CYS 17 H CYS 17 6.225 0.560 -7.979
109 HA CYS 17 HA CYS 17 3.862 1.178 -9.574
110 HB2 CYS 17 HB2 CYS 17 3.197 2.549 -7.610
111 HB3 CYS 17 HB3 CYS 17 3.500 0.864 -7.199
112 H LYS 18 H LYS 18 3.257 3.603 -9.569
113 HA LYS 18 HA LYS 18 4.953 4.983 -11.246
114 HB2 LYS 18 HB2 LYS 18 3.638 7.009 -10.643
115 HB3 LYS 18 HB3 LYS 18 2.639 5.616 -11.037
116 HG2 LYS 18 HG2 LYS 18 2.636 5.224 -8.469
117 HG3 LYS 18 HG3 LYS 18 3.111 6.922 -8.395
118 HD2 LYS 18 HD2 LYS 18 1.130 7.540 -9.683
119 HD3 LYS 18 HD3 LYS 18 0.663 5.841 -9.792
120 HE2 LYS 18 HE2 LYS 18 0.876 7.500 -7.282
121 HE3 LYS 18 HE3 LYS 18 -0.607 6.932 -8.047
122 HZ1 LYS 18 HZ1 LYS 18 1.405 5.401 -6.542
123 HZ2 LYS 18 HZ2 LYS 18 0.451 4.617 -7.699
124 HZ3 LYS 18 HZ3 LYS 18 -0.279 5.394 -6.386
125 H HIS 19 H HIS 19 4.701 5.203 -7.720
126 HA HIS 19 HA HIS 19 6.402 7.332 -7.250
127 HB2 HIS 19 HB2 HIS 19 6.166 4.824 -5.576
128 HB3 HIS 19 HB3 HIS 19 6.753 6.390 -5.025
129 HD1 HIS 19 HD1 HIS 19 4.389 5.102 -3.601
130 HD2 HIS 19 HD2 HIS 19 3.991 7.738 -6.787
131 HE1 HIS 19 HE1 HIS 19 2.076 6.067 -3.391
132 H LEU 20 H LEU 20 7.158 4.032 -8.111
133 HA LEU 20 HA LEU 20 10.029 4.611 -7.857
134 HB2 LEU 20 HB2 LEU 20 8.728 1.935 -8.310
135 HB3 LEU 20 HB3 LEU 20 10.406 2.250 -7.873
136 HG LEU 20 HG LEU 20 8.292 3.149 -5.988
137 HD11 LEU 20 HD11 LEU 20 7.517 0.929 -6.573
138 HD12 LEU 20 HD12 LEU 20 8.216 0.923 -4.953
139 HD13 LEU 20 HD13 LEU 20 9.133 0.271 -6.312
140 HD21 LEU 20 HD21 LEU 20 10.387 1.777 -4.731
141 HD22 LEU 20 HD22 LEU 20 10.130 3.520 -4.801
142 HD23 LEU 20 HD23 LEU 20 11.131 2.726 -6.018
143 H GLY 21 H GLY 21 11.401 3.498 -9.579
144 HA2 GLY 21 HA2 GLY 21 10.089 3.436 -12.200
145 HA3 GLY 21 HA3 GLY 21 11.398 4.584 -11.959
146 H CYS 22 H CYS 22 10.553 1.188 -12.162
147 HA CYS 22 HA CYS 22 12.967 -0.034 -11.674
148 HB2 CYS 22 HB2 CYS 22 10.686 -1.065 -12.306
149 HB3 CYS 22 HB3 CYS 22 11.225 -0.892 -13.973
150 H ARG 23 H ARG 23 14.918 0.315 -12.479
151 HA ARG 23 HA ARG 23 15.226 1.600 -15.068
152 HB2 ARG 23 HB2 ARG 23 17.086 0.977 -12.794
153 HB3 ARG 23 HB3 ARG 23 17.719 1.441 -14.367
154 HG2 ARG 23 HG2 ARG 23 16.392 3.526 -14.237
155 HG3 ARG 23 HG3 ARG 23 15.898 3.066 -12.606
156 HD2 ARG 23 HD2 ARG 23 17.692 4.424 -12.150
157 HD3 ARG 23 HD3 ARG 23 18.476 2.846 -12.216
158 HE ARG 23 HE ARG 23 18.713 3.708 -14.749
159 HH11 ARG 23 HH11 ARG 23 19.407 5.215 -11.689
160 HH12 ARG 23 HH12 ARG 23 20.697 6.190 -12.312
161 HH21 ARG 23 HH21 ARG 23 20.410 4.986 -15.583
162 HH22 ARG 23 HH22 ARG 23 21.266 6.059 -14.527
163 H THR 24 H THR 24 16.275 0.723 -16.829
164 HA THR 24 HA THR 24 16.222 -2.160 -16.997
165 HB THR 24 HB THR 24 16.583 -1.910 -19.342
166 HG1 THR 24 HG1 THR 24 17.289 0.788 -18.745
167 HG21 THR 24 HG21 THR 24 14.341 -1.301 -18.597
168 HG22 THR 24 HG22 THR 24 14.818 -0.323 -19.985
169 HG23 THR 24 HG23 THR 24 14.858 0.368 -18.363
170 H ASP 25 H ASP 25 18.551 0.257 -16.362
171 HA ASP 25 HA ASP 25 20.793 -1.437 -17.152
172 HB2 ASP 25 HB2 ASP 25 20.585 1.171 -17.445
173 HB3 ASP 25 HB3 ASP 25 21.137 1.195 -15.772
174 H LEU 26 H LEU 26 19.297 -0.066 -14.267
175 HA LEU 26 HA LEU 26 21.230 -1.413 -12.549
176 HB2 LEU 26 HB2 LEU 26 19.054 0.591 -12.099
177 HB3 LEU 26 HB3 LEU 26 19.726 -0.318 -10.746
178 HG LEU 26 HG LEU 26 22.006 0.602 -11.734
179 HD11 LEU 26 HD11 LEU 26 20.015 2.020 -13.231
180 HD12 LEU 26 HD12 LEU 26 21.772 2.088 -13.361
181 HD13 LEU 26 HD13 LEU 26 20.932 3.144 -12.227
182 HD21 LEU 26 HD21 LEU 26 20.570 1.067 -9.521
183 HD22 LEU 26 HD22 LEU 26 20.492 2.668 -10.258
184 HD23 LEU 26 HD23 LEU 26 22.057 1.934 -9.906
185 H TYR 27 H TYR 27 17.888 -1.629 -13.554
186 HA TYR 27 HA TYR 27 16.307 -3.241 -13.282
187 HB2 TYR 27 HB2 TYR 27 18.857 -4.681 -12.888
188 HB3 TYR 27 HB3 TYR 27 17.428 -5.483 -12.245
189 HD1 TYR 27 HD1 TYR 27 17.590 -3.347 -15.273
190 HD2 TYR 27 HD2 TYR 27 17.228 -7.298 -13.736
191 HE1 TYR 27 HE1 TYR 27 17.045 -4.168 -17.527
192 HE2 TYR 27 HE2 TYR 27 16.682 -8.129 -15.984
193 HH TYR 27 HH TYR 27 15.713 -6.249 -18.455
194 H TYR 28 H TYR 28 16.107 -1.465 -11.388
195 HA TYR 28 HA TYR 28 15.171 -2.959 -9.120
196 HB2 TYR 28 HB2 TYR 28 16.607 -2.231 -7.469
197 HB3 TYR 28 HB3 TYR 28 17.727 -2.398 -8.816
198 HD1 TYR 28 HD1 TYR 28 17.627 -0.091 -10.367
199 HD2 TYR 28 HD2 TYR 28 17.026 -0.385 -6.166
200 HE1 TYR 28 HE1 TYR 28 18.290 2.263 -10.113
201 HE2 TYR 28 HE2 TYR 28 17.686 1.970 -5.900
202 HH TYR 28 HH TYR 28 18.605 3.750 -6.925
203 H CYS 29 H CYS 29 13.718 -1.797 -7.837
204 HA CYS 29 HA CYS 29 12.375 0.330 -9.150
205 HB2 CYS 29 HB2 CYS 29 12.060 -0.694 -6.320
206 HB3 CYS 29 HB3 CYS 29 10.931 0.368 -7.153
207 H ALA 30 H ALA 30 13.019 2.370 -9.218
208 HA ALA 30 HA ALA 30 14.718 3.421 -7.077
209 HB1 ALA 30 HB1 ALA 30 15.019 5.347 -8.693
210 HB2 ALA 30 HB2 ALA 30 15.669 3.789 -9.204
211 HB3 ALA 30 HB3 ALA 30 14.144 4.370 -9.871
212 H TRP 31 H TRP 31 13.445 4.083 -5.429
213 HA TRP 31 HA TRP 31 10.887 5.247 -5.723
214 HB2 TRP 31 HB2 TRP 31 11.638 4.148 -3.648
215 HB3 TRP 31 HB3 TRP 31 12.806 5.441 -3.391
216 HD1 TRP 31 HD1 TRP 31 11.643 7.981 -3.062
217 HE1 TRP 31 HE1 TRP 31 9.501 8.586 -1.767
218 HE3 TRP 31 HE3 TRP 31 9.443 3.368 -2.932
219 HZ2 TRP 31 HZ2 TRP 31 7.187 7.278 -0.816
220 HZ3 TRP 31 HZ3 TRP 31 7.266 3.130 -1.810
221 HH2 TRP 31 HH2 TRP 31 6.164 5.046 -0.773
222 H ASP 32 H ASP 32 10.533 7.119 -6.715
223 HA ASP 32 HA ASP 32 11.964 9.486 -5.816
224 HB2 ASP 32 HB2 ASP 32 13.195 8.522 -7.825
225 HB3 ASP 32 HB3 ASP 32 11.765 8.922 -8.773
226 H GLY 33 H GLY 33 9.644 8.363 -8.288
227 HA2 GLY 33 HA2 GLY 33 7.353 8.917 -8.346
228 HA3 GLY 33 HA3 GLY 33 7.659 10.210 -7.195
229 H THR 34 H THR 34 10.015 11.050 -8.906
230 HA THR 34 HA THR 34 8.469 12.361 -11.049
231 HB THR 34 HB THR 34 10.080 14.300 -10.769
232 HG1 THR 34 HG1 THR 34 11.667 13.382 -9.490
233 HG21 THR 34 HG21 THR 34 7.970 13.529 -8.804
234 HG22 THR 34 HG22 THR 34 7.972 14.820 -10.006
235 HG23 THR 34 HG23 THR 34 8.906 14.996 -8.521
236 H PHE 35 H PHE 35 9.443 12.593 -13.034
237 HA PHE 35 HA PHE 35 12.197 11.674 -13.360
238 HB2 PHE 35 HB2 PHE 35 9.766 10.344 -14.464
239 HB3 PHE 35 HB3 PHE 35 11.203 10.415 -15.480
240 HD1 PHE 35 HD1 PHE 35 13.434 9.888 -13.926
241 HD2 PHE 35 HD2 PHE 35 9.505 8.336 -13.407
242 HE1 PHE 35 HE1 PHE 35 14.364 7.935 -12.751
243 HE2 PHE 35 HE2 PHE 35 10.428 6.381 -12.232
244 HZ PHE 35 HZ PHE 35 12.860 6.179 -11.902
Start of MODEL 10
1 H1 SER 1 H SER 1 1.179 0.406 0.542
2 HA SER 1 HA SER 1 2.388 0.898 -1.972
3 HB2 SER 1 HB2 SER 1 3.628 -0.779 0.202
4 HB3 SER 1 HB3 SER 1 4.428 0.288 -0.952
5 HG SER 1 HG SER 1 4.368 1.527 0.796
6 H GLU 2 H GLU 2 1.502 -0.347 -3.581
7 HA GLU 2 HA GLU 2 1.547 -3.257 -3.274
8 HB2 GLU 2 HB2 GLU 2 -0.463 -1.928 -4.195
9 HB3 GLU 2 HB3 GLU 2 0.490 -1.769 -5.665
10 HG2 GLU 2 HG2 GLU 2 0.393 -4.029 -6.132
11 HG3 GLU 2 HG3 GLU 2 0.027 -4.463 -4.463
12 H CYS 3 H CYS 3 3.924 -1.441 -3.726
13 HA CYS 3 HA CYS 3 4.973 -2.845 -6.093
14 HB2 CYS 3 HB2 CYS 3 6.499 -0.769 -6.304
15 HB3 CYS 3 HB3 CYS 3 4.830 -0.635 -6.851
16 H ARG 4 H ARG 4 7.421 -2.906 -6.086
17 HA ARG 4 HA ARG 4 8.279 -3.925 -3.520
18 HB2 ARG 4 HB2 ARG 4 9.962 -3.724 -6.010
19 HB3 ARG 4 HB3 ARG 4 10.138 -4.843 -4.665
20 HG2 ARG 4 HG2 ARG 4 8.148 -6.021 -5.313
21 HG3 ARG 4 HG3 ARG 4 7.813 -4.833 -6.575
22 HD2 ARG 4 HD2 ARG 4 8.887 -6.260 -7.927
23 HD3 ARG 4 HD3 ARG 4 10.353 -5.606 -7.197
24 HE ARG 4 HE ARG 4 10.695 -7.633 -6.214
25 HH11 ARG 4 HH11 ARG 4 7.334 -7.377 -7.082
26 HH12 ARG 4 HH12 ARG 4 6.956 -9.004 -6.624
27 HH21 ARG 4 HH21 ARG 4 10.211 -9.777 -5.607
28 HH22 ARG 4 HH22 ARG 4 8.594 -10.369 -5.784
29 H TYR 5 H TYR 5 9.575 -2.934 -2.101
30 HA TYR 5 HA TYR 5 10.124 -0.190 -2.283
31 HB2 TYR 5 HB2 TYR 5 10.725 -2.370 -0.404
32 HB3 TYR 5 HB3 TYR 5 11.903 -1.063 -0.396
33 HD1 TYR 5 HD1 TYR 5 8.994 -2.199 1.100
34 HD2 TYR 5 HD2 TYR 5 10.728 1.371 -0.430
35 HE1 TYR 5 HE1 TYR 5 7.495 -0.868 2.525
36 HE2 TYR 5 HE2 TYR 5 9.235 2.714 0.990
37 HH TYR 5 HH TYR 5 7.229 1.257 3.436
38 H LEU 6 H LEU 6 12.417 0.694 -1.935
39 HA LEU 6 HA LEU 6 13.890 0.562 -4.212
40 HB2 LEU 6 HB2 LEU 6 14.129 2.059 -2.109
41 HB3 LEU 6 HB3 LEU 6 15.300 0.849 -1.587
42 HG LEU 6 HG LEU 6 16.312 1.357 -3.995
43 HD11 LEU 6 HD11 LEU 6 14.417 3.522 -3.497
44 HD12 LEU 6 HD12 LEU 6 15.206 3.022 -4.992
45 HD13 LEU 6 HD13 LEU 6 16.052 4.073 -3.857
46 HD21 LEU 6 HD21 LEU 6 16.802 3.305 -1.764
47 HD22 LEU 6 HD22 LEU 6 17.952 2.643 -2.925
48 HD23 LEU 6 HD23 LEU 6 17.296 1.615 -1.649
49 H PHE 7 H PHE 7 15.422 -0.713 -5.104
50 HA PHE 7 HA PHE 7 16.691 -2.556 -5.508
51 HB2 PHE 7 HB2 PHE 7 17.064 -2.375 -2.514
52 HB3 PHE 7 HB3 PHE 7 17.944 -3.507 -3.536
53 HD1 PHE 7 HD1 PHE 7 17.935 -0.276 -2.120
54 HD2 PHE 7 HD2 PHE 7 19.259 -2.471 -5.518
55 HE1 PHE 7 HE1 PHE 7 19.621 1.457 -2.578
56 HE2 PHE 7 HE2 PHE 7 20.948 -0.742 -5.980
57 HZ PHE 7 HZ PHE 7 21.129 1.225 -4.510
58 H GLY 8 H GLY 8 13.977 -3.014 -5.431
59 HA2 GLY 8 HA2 GLY 8 13.451 -5.342 -3.784
60 HA3 GLY 8 HA3 GLY 8 12.337 -4.588 -4.916
61 H GLY 9 H GLY 9 15.154 -4.940 -6.560
62 HA2 GLY 9 HA2 GLY 9 15.956 -6.461 -8.089
63 HA3 GLY 9 HA3 GLY 9 15.142 -7.718 -7.170
64 H CYS 10 H CYS 10 13.958 -4.893 -8.989
65 HA CYS 10 HA CYS 10 11.865 -6.518 -10.157
66 HB2 CYS 10 HB2 CYS 10 10.964 -4.463 -11.007
67 HB3 CYS 10 HB3 CYS 10 11.482 -4.173 -9.349
68 H LYS 11 H LYS 11 11.425 -5.852 -12.608
69 HA LYS 11 HA LYS 11 13.950 -6.128 -14.095
70 HB2 LYS 11 HB2 LYS 11 11.392 -7.643 -14.651
71 HB3 LYS 11 HB3 LYS 11 12.868 -7.732 -15.603
72 HG2 LYS 11 HG2 LYS 11 12.949 -8.393 -12.695
73 HG3 LYS 11 HG3 LYS 11 12.325 -9.573 -13.849
74 HD2 LYS 11 HD2 LYS 11 14.375 -9.711 -14.984
75 HD3 LYS 11 HD3 LYS 11 14.977 -8.221 -14.253
76 HE2 LYS 11 HE2 LYS 11 14.275 -10.488 -12.460
77 HE3 LYS 11 HE3 LYS 11 15.755 -10.607 -13.411
78 HZ1 LYS 11 HZ1 LYS 11 15.604 -9.422 -11.025
79 HZ2 LYS 11 HZ2 LYS 11 15.369 -8.087 -12.036
80 HZ3 LYS 11 HZ3 LYS 11 16.762 -9.033 -12.194
81 H THR 12 H THR 12 10.579 -5.124 -14.097
82 HA THR 12 HA THR 12 11.218 -3.221 -16.243
83 HB THR 12 HB THR 12 8.987 -3.560 -17.239
84 HG1 THR 12 HG1 THR 12 8.826 -5.773 -15.445
85 HG21 THR 12 HG21 THR 12 10.937 -4.772 -18.134
86 HG22 THR 12 HG22 THR 12 9.443 -5.690 -18.325
87 HG23 THR 12 HG23 THR 12 10.583 -6.117 -17.050
88 H THR 13 H THR 13 9.607 -1.435 -16.379
89 HA THR 13 HA THR 13 9.307 -0.154 -13.916
90 HB THR 13 HB THR 13 7.583 0.490 -16.299
91 HG1 THR 13 HG1 THR 13 10.306 1.246 -15.909
92 HG21 THR 13 HG21 THR 13 8.551 2.826 -15.299
93 HG22 THR 13 HG22 THR 13 8.448 1.845 -13.838
94 HG23 THR 13 HG23 THR 13 7.014 2.102 -14.831
95 H ALA 14 H ALA 14 7.104 -2.195 -15.731
96 HA ALA 14 HA ALA 14 4.739 -1.614 -14.329
97 HB1 ALA 14 HB1 ALA 14 4.945 -2.876 -16.498
98 HB2 ALA 14 HB2 ALA 14 5.423 -4.280 -15.544
99 HB3 ALA 14 HB3 ALA 14 3.827 -3.565 -15.319
100 H ASP 15 H ASP 15 7.503 -3.528 -13.504
101 HA ASP 15 HA ASP 15 6.307 -5.189 -11.550
102 HB2 ASP 15 HB2 ASP 15 9.168 -4.238 -11.805
103 HB3 ASP 15 HB3 ASP 15 8.624 -5.533 -10.741
104 H CYS 16 H CYS 16 7.439 -1.902 -11.518
105 HA CYS 16 HA CYS 16 6.922 -1.756 -8.622
106 HB2 CYS 16 HB2 CYS 16 8.432 0.330 -10.174
107 HB3 CYS 16 HB3 CYS 16 8.473 -0.001 -8.446
108 H CYS 17 H CYS 17 6.229 0.565 -7.972
109 HA CYS 17 HA CYS 17 3.864 1.187 -9.562
110 HB2 CYS 17 HB2 CYS 17 3.206 2.559 -7.596
111 HB3 CYS 17 HB3 CYS 17 3.504 0.872 -7.189
112 H LYS 18 H LYS 18 3.261 3.615 -9.550
113 HA LYS 18 HA LYS 18 4.957 4.995 -11.230
114 HB2 LYS 18 HB2 LYS 18 3.643 7.021 -10.625
115 HB3 LYS 18 HB3 LYS 18 2.641 5.628 -11.016
116 HG2 LYS 18 HG2 LYS 18 2.654 5.239 -8.444
117 HG3 LYS 18 HG3 LYS 18 3.114 6.942 -8.380
118 HD2 LYS 18 HD2 LYS 18 1.105 7.334 -9.932
119 HD3 LYS 18 HD3 LYS 18 0.598 5.711 -9.460
120 HE2 LYS 18 HE2 LYS 18 0.855 6.510 -7.055
121 HE3 LYS 18 HE3 LYS 18 0.954 8.139 -7.722
122 HZ1 LYS 18 HZ1 LYS 18 -1.298 6.340 -8.378
123 HZ2 LYS 18 HZ2 LYS 18 -1.219 8.025 -8.512
124 HZ3 LYS 18 HZ3 LYS 18 -1.317 7.301 -6.986
125 H HIS 19 H HIS 19 4.707 5.214 -7.703
126 HA HIS 19 HA HIS 19 6.411 7.340 -7.233
127 HB2 HIS 19 HB2 HIS 19 6.159 4.830 -5.564
128 HB3 HIS 19 HB3 HIS 19 6.772 6.386 -5.010
129 HD1 HIS 19 HD1 HIS 19 4.399 5.136 -3.574
130 HD2 HIS 19 HD2 HIS 19 4.019 7.773 -6.762
131 HE1 HIS 19 HE1 HIS 19 2.102 6.133 -3.351
132 H LEU 20 H LEU 20 7.163 4.040 -8.096
133 HA LEU 20 HA LEU 20 10.034 4.615 -7.843
134 HB2 LEU 20 HB2 LEU 20 8.729 1.940 -8.299
135 HB3 LEU 20 HB3 LEU 20 10.408 2.251 -7.864
136 HG LEU 20 HG LEU 20 8.295 3.149 -5.976
137 HD11 LEU 20 HD11 LEU 20 9.142 0.275 -6.294
138 HD12 LEU 20 HD12 LEU 20 7.527 0.926 -6.570
139 HD13 LEU 20 HD13 LEU 20 8.212 0.927 -4.945
140 HD21 LEU 20 HD21 LEU 20 11.138 2.710 -6.008
141 HD22 LEU 20 HD22 LEU 20 10.382 1.788 -4.708
142 HD23 LEU 20 HD23 LEU 20 10.143 3.534 -4.808
143 H GLY 21 H GLY 21 11.405 3.504 -9.567
144 HA2 GLY 21 HA2 GLY 21 10.092 3.448 -12.189
145 HA3 GLY 21 HA3 GLY 21 11.403 4.594 -11.946
146 H CYS 22 H CYS 22 10.554 1.200 -12.157
147 HA CYS 22 HA CYS 22 12.968 -0.025 -11.671
148 HB2 CYS 22 HB2 CYS 22 10.685 -1.055 -12.301
149 HB3 CYS 22 HB3 CYS 22 11.222 -0.880 -13.969
150 H ARG 23 H ARG 23 14.918 0.325 -12.480
151 HA ARG 23 HA ARG 23 15.221 1.607 -15.071
152 HB2 ARG 23 HB2 ARG 23 17.040 1.046 -12.759
153 HB3 ARG 23 HB3 ARG 23 17.731 1.395 -14.338
154 HG2 ARG 23 HG2 ARG 23 16.235 3.483 -14.303
155 HG3 ARG 23 HG3 ARG 23 16.087 3.165 -12.573
156 HD2 ARG 23 HD2 ARG 23 17.880 4.725 -12.924
157 HD3 ARG 23 HD3 ARG 23 18.561 3.182 -12.411
158 HE ARG 23 HE ARG 23 18.690 3.002 -15.088
159 HH11 ARG 23 HH11 ARG 23 19.666 5.491 -12.858
160 HH12 ARG 23 HH12 ARG 23 20.971 6.050 -13.851
161 HH21 ARG 23 HH21 ARG 23 20.405 3.730 -16.404
162 HH22 ARG 23 HH22 ARG 23 21.390 5.048 -15.868
163 H THR 24 H THR 24 16.274 0.729 -16.829
164 HA THR 24 HA THR 24 16.230 -2.155 -16.988
165 HB THR 24 HB THR 24 16.621 -1.903 -19.340
166 HG1 THR 24 HG1 THR 24 16.915 0.891 -19.120
167 HG21 THR 24 HG21 THR 24 14.356 -1.347 -18.551
168 HG22 THR 24 HG22 THR 24 14.790 -0.430 -19.994
169 HG23 THR 24 HG23 THR 24 14.830 0.345 -18.410
170 H ASP 25 H ASP 25 18.549 0.269 -16.355
171 HA ASP 25 HA ASP 25 20.798 -1.415 -17.145
172 HB2 ASP 25 HB2 ASP 25 20.934 1.303 -15.840
173 HB3 ASP 25 HB3 ASP 25 22.190 0.483 -16.761
174 H LEU 26 H LEU 26 19.299 -0.053 -14.257
175 HA LEU 26 HA LEU 26 21.234 -1.403 -12.542
176 HB2 LEU 26 HB2 LEU 26 19.056 0.600 -12.086
177 HB3 LEU 26 HB3 LEU 26 19.730 -0.310 -10.736
178 HG LEU 26 HG LEU 26 22.009 0.613 -11.724
179 HD11 LEU 26 HD11 LEU 26 20.579 3.096 -12.233
180 HD12 LEU 26 HD12 LEU 26 20.238 1.846 -13.427
181 HD13 LEU 26 HD13 LEU 26 21.902 2.344 -13.124
182 HD21 LEU 26 HD21 LEU 26 22.058 1.979 -9.911
183 HD22 LEU 26 HD22 LEU 26 20.610 1.059 -9.501
184 HD23 LEU 26 HD23 LEU 26 20.462 2.656 -10.236
185 H TYR 27 H TYR 27 17.894 -1.620 -13.550
186 HA TYR 27 HA TYR 27 16.314 -3.234 -13.282
187 HB2 TYR 27 HB2 TYR 27 18.865 -4.671 -12.884
188 HB3 TYR 27 HB3 TYR 27 17.435 -5.475 -12.244
189 HD1 TYR 27 HD1 TYR 27 17.600 -3.338 -15.271
190 HD2 TYR 27 HD2 TYR 27 17.243 -7.290 -13.736
191 HE1 TYR 27 HE1 TYR 27 17.058 -4.158 -17.525
192 HE2 TYR 27 HE2 TYR 27 16.702 -8.122 -15.985
193 HH TYR 27 HH TYR 27 16.867 -7.551 -18.248
194 H TYR 28 H TYR 28 16.109 -1.458 -11.388
195 HA TYR 28 HA TYR 28 15.170 -2.953 -9.122
196 HB2 TYR 28 HB2 TYR 28 16.603 -2.228 -7.468
197 HB3 TYR 28 HB3 TYR 28 17.725 -2.396 -8.812
198 HD1 TYR 28 HD1 TYR 28 17.627 -0.086 -10.362
199 HD2 TYR 28 HD2 TYR 28 17.022 -0.384 -6.161
200 HE1 TYR 28 HE1 TYR 28 18.294 2.267 -10.105
201 HE2 TYR 28 HE2 TYR 28 17.685 1.968 -5.892
202 HH TYR 28 HH TYR 28 17.662 4.145 -8.069
203 H CYS 29 H CYS 29 13.719 -1.789 -7.837
204 HA CYS 29 HA CYS 29 12.376 0.338 -9.151
205 HB2 CYS 29 HB2 CYS 29 12.063 -0.680 -6.319
206 HB3 CYS 29 HB3 CYS 29 10.932 0.379 -7.156
207 H ALA 30 H ALA 30 13.021 2.378 -9.222
208 HA ALA 30 HA ALA 30 14.726 3.429 -7.087
209 HB1 ALA 30 HB1 ALA 30 14.233 4.191 -9.927
210 HB2 ALA 30 HB2 ALA 30 14.827 5.409 -8.798
211 HB3 ALA 30 HB3 ALA 30 15.757 3.937 -9.076
212 H TRP 31 H TRP 31 13.460 4.087 -5.431
213 HA TRP 31 HA TRP 31 10.902 5.249 -5.713
214 HB2 TRP 31 HB2 TRP 31 11.665 4.145 -3.643
215 HB3 TRP 31 HB3 TRP 31 12.828 5.443 -3.387
216 HD1 TRP 31 HD1 TRP 31 11.659 7.974 -3.038
217 HE1 TRP 31 HE1 TRP 31 9.517 8.566 -1.738
218 HE3 TRP 31 HE3 TRP 31 9.468 3.356 -2.936
219 HZ2 TRP 31 HZ2 TRP 31 7.206 7.249 -0.794
220 HZ3 TRP 31 HZ3 TRP 31 7.292 3.107 -1.814
221 HH2 TRP 31 HH2 TRP 31 6.187 5.015 -0.766
222 H ASP 32 H ASP 32 10.549 7.123 -6.706
223 HA ASP 32 HA ASP 32 11.979 9.488 -5.802
224 HB2 ASP 32 HB2 ASP 32 13.210 8.534 -7.813
225 HB3 ASP 32 HB3 ASP 32 11.779 8.924 -8.760
226 H GLY 33 H GLY 33 9.656 8.369 -8.274
227 HA2 GLY 33 HA2 GLY 33 7.351 8.919 -8.277
228 HA3 GLY 33 HA3 GLY 33 7.696 10.258 -7.192
229 H THR 34 H THR 34 10.021 10.996 -8.990
230 HA THR 34 HA THR 34 8.459 12.185 -11.189
231 HB THR 34 HB THR 34 9.597 14.267 -10.970
232 HG1 THR 34 HG1 THR 34 11.285 14.560 -9.490
233 HG21 THR 34 HG21 THR 34 9.135 13.691 -8.084
234 HG22 THR 34 HG22 THR 34 7.784 13.505 -9.202
235 HG23 THR 34 HG23 THR 34 8.602 15.060 -9.061
236 H PHE 35 H PHE 35 9.660 12.711 -13.102
237 HA PHE 35 HA PHE 35 12.360 11.677 -13.345
238 HB2 PHE 35 HB2 PHE 35 9.970 10.369 -14.560
239 HB3 PHE 35 HB3 PHE 35 11.449 10.438 -15.512
240 HD1 PHE 35 HD1 PHE 35 13.609 9.880 -13.877
241 HD2 PHE 35 HD2 PHE 35 9.649 8.363 -13.518
242 HE1 PHE 35 HE1 PHE 35 14.475 7.913 -12.678
243 HE2 PHE 35 HE2 PHE 35 10.508 6.394 -12.318
244 HZ PHE 35 HZ PHE 35 12.923 6.168 -11.896
Start of MODEL 11
1 H1 SER 1 H SER 1 0.810 0.126 0.386
2 HA SER 1 HA SER 1 2.367 0.887 -1.966
3 HB2 SER 1 HB2 SER 1 4.236 -0.290 -0.720
4 HB3 SER 1 HB3 SER 1 3.571 1.131 0.083
5 HG SER 1 HG SER 1 2.569 -1.442 0.641
6 H GLU 2 H GLU 2 1.584 -0.343 -3.631
7 HA GLU 2 HA GLU 2 1.556 -3.258 -3.276
8 HB2 GLU 2 HB2 GLU 2 0.203 -3.350 -5.294
9 HB3 GLU 2 HB3 GLU 2 -0.514 -2.237 -4.136
10 HG2 GLU 2 HG2 GLU 2 0.120 -0.358 -5.374
11 HG3 GLU 2 HG3 GLU 2 1.279 -1.274 -6.335
12 H CYS 3 H CYS 3 3.925 -1.433 -3.737
13 HA CYS 3 HA CYS 3 4.981 -2.845 -6.096
14 HB2 CYS 3 HB2 CYS 3 6.499 -0.766 -6.315
15 HB3 CYS 3 HB3 CYS 3 4.831 -0.638 -6.863
16 H ARG 4 H ARG 4 7.421 -2.920 -6.087
17 HA ARG 4 HA ARG 4 8.281 -3.920 -3.515
18 HB2 ARG 4 HB2 ARG 4 9.970 -3.721 -6.003
19 HB3 ARG 4 HB3 ARG 4 10.146 -4.836 -4.655
20 HG2 ARG 4 HG2 ARG 4 8.160 -6.022 -5.307
21 HG3 ARG 4 HG3 ARG 4 7.824 -4.836 -6.570
22 HD2 ARG 4 HD2 ARG 4 8.896 -6.280 -7.911
23 HD3 ARG 4 HD3 ARG 4 10.357 -5.591 -7.202
24 HE ARG 4 HE ARG 4 10.717 -7.570 -6.107
25 HH11 ARG 4 HH11 ARG 4 7.439 -7.491 -7.281
26 HH12 ARG 4 HH12 ARG 4 7.117 -9.145 -6.878
27 HH21 ARG 4 HH21 ARG 4 10.303 -9.748 -5.572
28 HH22 ARG 4 HH22 ARG 4 8.746 -10.427 -5.904
29 H TYR 5 H TYR 5 9.590 -2.932 -2.103
30 HA TYR 5 HA TYR 5 10.127 -0.182 -2.288
31 HB2 TYR 5 HB2 TYR 5 10.733 -2.359 -0.404
32 HB3 TYR 5 HB3 TYR 5 11.904 -1.046 -0.397
33 HD1 TYR 5 HD1 TYR 5 8.989 -2.193 1.089
34 HD2 TYR 5 HD2 TYR 5 10.722 1.383 -0.432
35 HE1 TYR 5 HE1 TYR 5 7.482 -0.865 2.508
36 HE2 TYR 5 HE2 TYR 5 9.221 2.720 0.985
37 HH TYR 5 HH TYR 5 7.651 1.625 3.548
38 H LEU 6 H LEU 6 12.418 0.705 -1.938
39 HA LEU 6 HA LEU 6 13.894 0.574 -4.213
40 HB2 LEU 6 HB2 LEU 6 14.129 2.066 -2.101
41 HB3 LEU 6 HB3 LEU 6 15.308 0.859 -1.591
42 HG LEU 6 HG LEU 6 16.295 1.389 -4.012
43 HD11 LEU 6 HD11 LEU 6 14.436 3.576 -3.428
44 HD12 LEU 6 HD12 LEU 6 15.146 3.063 -4.959
45 HD13 LEU 6 HD13 LEU 6 16.065 4.093 -3.861
46 HD21 LEU 6 HD21 LEU 6 18.014 2.308 -2.879
47 HD22 LEU 6 HD22 LEU 6 17.091 1.785 -1.470
48 HD23 LEU 6 HD23 LEU 6 16.981 3.456 -2.026
49 H PHE 7 H PHE 7 15.427 -0.700 -5.105
50 HA PHE 7 HA PHE 7 16.695 -2.544 -5.509
51 HB2 PHE 7 HB2 PHE 7 17.100 -2.207 -2.546
52 HB3 PHE 7 HB3 PHE 7 17.857 -3.530 -3.426
53 HD1 PHE 7 HD1 PHE 7 17.943 -0.005 -2.667
54 HD2 PHE 7 HD2 PHE 7 19.480 -3.030 -5.238
55 HE1 PHE 7 HE1 PHE 7 19.784 1.490 -3.318
56 HE2 PHE 7 HE2 PHE 7 21.326 -1.539 -5.893
57 HZ PHE 7 HZ PHE 7 21.479 0.724 -4.933
58 H GLY 8 H GLY 8 13.988 -3.011 -5.436
59 HA2 GLY 8 HA2 GLY 8 13.464 -5.333 -3.779
60 HA3 GLY 8 HA3 GLY 8 12.349 -4.585 -4.913
61 H GLY 9 H GLY 9 15.159 -4.932 -6.563
62 HA2 GLY 9 HA2 GLY 9 15.968 -6.460 -8.083
63 HA3 GLY 9 HA3 GLY 9 15.153 -7.715 -7.161
64 H CYS 10 H CYS 10 13.967 -4.895 -8.986
65 HA CYS 10 HA CYS 10 11.878 -6.527 -10.154
66 HB2 CYS 10 HB2 CYS 10 10.970 -4.476 -11.003
67 HB3 CYS 10 HB3 CYS 10 11.492 -4.180 -9.348
68 H LYS 11 H LYS 11 11.439 -5.862 -12.606
69 HA LYS 11 HA LYS 11 13.965 -6.132 -14.092
70 HB2 LYS 11 HB2 LYS 11 11.434 -7.740 -14.437
71 HB3 LYS 11 HB3 LYS 11 12.694 -7.666 -15.662
72 HG2 LYS 11 HG2 LYS 11 14.196 -8.356 -13.570
73 HG3 LYS 11 HG3 LYS 11 12.659 -9.055 -13.055
74 HD2 LYS 11 HD2 LYS 11 14.024 -9.571 -15.697
75 HD3 LYS 11 HD3 LYS 11 14.027 -10.664 -14.311
76 HE2 LYS 11 HE2 LYS 11 11.453 -10.507 -14.483
77 HE3 LYS 11 HE3 LYS 11 11.755 -9.889 -16.105
78 HZ1 LYS 11 HZ1 LYS 11 12.782 -11.887 -16.738
79 HZ2 LYS 11 HZ2 LYS 11 11.392 -12.358 -15.897
80 HZ3 LYS 11 HZ3 LYS 11 12.905 -12.443 -15.145
81 H THR 12 H THR 12 10.584 -5.154 -14.103
82 HA THR 12 HA THR 12 11.213 -3.252 -16.254
83 HB THR 12 HB THR 12 8.770 -3.620 -17.015
84 HG1 THR 12 HG1 THR 12 9.232 -6.183 -15.874
85 HG21 THR 12 HG21 THR 12 10.798 -5.802 -17.523
86 HG22 THR 12 HG22 THR 12 10.775 -4.232 -18.327
87 HG23 THR 12 HG23 THR 12 9.442 -5.364 -18.563
88 H THR 13 H THR 13 9.604 -1.468 -16.391
89 HA THR 13 HA THR 13 9.304 -0.181 -13.932
90 HB THR 13 HB THR 13 7.558 0.463 -16.295
91 HG1 THR 13 HG1 THR 13 10.242 1.351 -16.009
92 HG21 THR 13 HG21 THR 13 8.550 2.799 -15.359
93 HG22 THR 13 HG22 THR 13 8.536 1.841 -13.879
94 HG23 THR 13 HG23 THR 13 7.046 2.074 -14.792
95 H ALA 14 H ALA 14 7.108 -2.240 -15.733
96 HA ALA 14 HA ALA 14 4.740 -1.655 -14.333
97 HB1 ALA 14 HB1 ALA 14 5.534 -4.244 -15.661
98 HB2 ALA 14 HB2 ALA 14 3.897 -3.758 -15.221
99 HB3 ALA 14 HB3 ALA 14 4.778 -2.866 -16.462
100 H ASP 15 H ASP 15 7.510 -3.555 -13.500
101 HA ASP 15 HA ASP 15 6.320 -5.212 -11.539
102 HB2 ASP 15 HB2 ASP 15 9.178 -4.255 -11.805
103 HB3 ASP 15 HB3 ASP 15 8.642 -5.539 -10.727
104 H CYS 16 H CYS 16 7.444 -1.921 -11.522
105 HA CYS 16 HA CYS 16 6.926 -1.764 -8.626
106 HB2 CYS 16 HB2 CYS 16 8.432 0.320 -10.186
107 HB3 CYS 16 HB3 CYS 16 8.475 -0.006 -8.457
108 H CYS 17 H CYS 17 6.227 0.559 -7.988
109 HA CYS 17 HA CYS 17 3.863 1.170 -9.581
110 HB2 CYS 17 HB2 CYS 17 3.199 2.547 -7.622
111 HB3 CYS 17 HB3 CYS 17 3.501 0.862 -7.207
112 H LYS 18 H LYS 18 3.255 3.597 -9.576
113 HA LYS 18 HA LYS 18 4.949 4.974 -11.261
114 HB2 LYS 18 HB2 LYS 18 3.631 6.999 -10.667
115 HB3 LYS 18 HB3 LYS 18 2.631 5.602 -11.048
116 HG2 LYS 18 HG2 LYS 18 2.667 5.235 -8.463
117 HG3 LYS 18 HG3 LYS 18 3.093 6.948 -8.429
118 HD2 LYS 18 HD2 LYS 18 1.072 7.594 -9.388
119 HD3 LYS 18 HD3 LYS 18 0.756 5.985 -10.040
120 HE2 LYS 18 HE2 LYS 18 -0.684 5.959 -8.273
121 HE3 LYS 18 HE3 LYS 18 0.760 5.343 -7.473
122 HZ1 LYS 18 HZ1 LYS 18 -0.579 7.909 -7.168
123 HZ2 LYS 18 HZ2 LYS 18 1.111 7.940 -7.121
124 HZ3 LYS 18 HZ3 LYS 18 0.252 6.978 -6.026
125 H HIS 19 H HIS 19 4.697 5.205 -7.735
126 HA HIS 19 HA HIS 19 6.399 7.336 -7.272
127 HB2 HIS 19 HB2 HIS 19 6.152 4.831 -5.594
128 HB3 HIS 19 HB3 HIS 19 6.758 6.392 -5.046
129 HD1 HIS 19 HD1 HIS 19 4.388 5.134 -3.609
130 HD2 HIS 19 HD2 HIS 19 4.003 7.764 -6.803
131 HE1 HIS 19 HE1 HIS 19 2.085 6.123 -3.393
132 H LEU 20 H LEU 20 7.155 4.032 -8.123
133 HA LEU 20 HA LEU 20 10.025 4.614 -7.873
134 HB2 LEU 20 HB2 LEU 20 8.725 1.935 -8.316
135 HB3 LEU 20 HB3 LEU 20 10.404 2.252 -7.884
136 HG LEU 20 HG LEU 20 8.293 3.158 -5.998
137 HD11 LEU 20 HD11 LEU 20 9.135 0.279 -6.300
138 HD12 LEU 20 HD12 LEU 20 7.522 0.933 -6.588
139 HD13 LEU 20 HD13 LEU 20 8.200 0.942 -4.960
140 HD21 LEU 20 HD21 LEU 20 10.402 1.776 -4.756
141 HD22 LEU 20 HD22 LEU 20 10.125 3.518 -4.798
142 HD23 LEU 20 HD23 LEU 20 11.129 2.753 -6.031
143 H GLY 21 H GLY 21 11.399 3.498 -9.592
144 HA2 GLY 21 HA2 GLY 21 10.085 3.429 -12.213
145 HA3 GLY 21 HA3 GLY 21 11.394 4.577 -11.976
146 H CYS 22 H CYS 22 10.549 1.183 -12.174
147 HA CYS 22 HA CYS 22 12.963 -0.041 -11.682
148 HB2 CYS 22 HB2 CYS 22 10.681 -1.073 -12.313
149 HB3 CYS 22 HB3 CYS 22 11.220 -0.901 -13.980
150 H ARG 23 H ARG 23 14.914 0.308 -12.487
151 HA ARG 23 HA ARG 23 15.224 1.589 -15.077
152 HB2 ARG 23 HB2 ARG 23 17.083 0.967 -12.801
153 HB3 ARG 23 HB3 ARG 23 17.717 1.428 -14.375
154 HG2 ARG 23 HG2 ARG 23 16.395 3.515 -14.249
155 HG3 ARG 23 HG3 ARG 23 15.894 3.057 -12.620
156 HD2 ARG 23 HD2 ARG 23 17.688 4.406 -12.149
157 HD3 ARG 23 HD3 ARG 23 18.475 2.830 -12.225
158 HE ARG 23 HE ARG 23 18.713 3.709 -14.752
159 HH11 ARG 23 HH11 ARG 23 19.400 5.199 -11.681
160 HH12 ARG 23 HH12 ARG 23 20.687 6.179 -12.297
161 HH21 ARG 23 HH21 ARG 23 20.408 4.995 -15.575
162 HH22 ARG 23 HH22 ARG 23 21.259 6.063 -14.512
163 H THR 24 H THR 24 16.275 0.710 -16.836
164 HA THR 24 HA THR 24 16.218 -2.173 -17.002
165 HB THR 24 HB THR 24 16.623 -1.914 -19.354
166 HG1 THR 24 HG1 THR 24 17.657 -0.232 -20.137
167 HG21 THR 24 HG21 THR 24 14.510 -1.274 -19.648
168 HG22 THR 24 HG22 THR 24 14.950 0.407 -19.346
169 HG23 THR 24 HG23 THR 24 14.495 -0.641 -18.003
170 H ASP 25 H ASP 25 18.550 0.244 -16.373
171 HA ASP 25 HA ASP 25 20.790 -1.457 -17.155
172 HB2 ASP 25 HB2 ASP 25 21.058 0.847 -17.750
173 HB3 ASP 25 HB3 ASP 25 20.641 1.378 -16.124
174 H LEU 26 H LEU 26 19.287 -0.081 -14.279
175 HA LEU 26 HA LEU 26 21.220 -1.419 -12.552
176 HB2 LEU 26 HB2 LEU 26 19.047 0.591 -12.116
177 HB3 LEU 26 HB3 LEU 26 19.707 -0.318 -10.757
178 HG LEU 26 HG LEU 26 21.997 0.592 -11.735
179 HD11 LEU 26 HD11 LEU 26 20.018 2.018 -13.239
180 HD12 LEU 26 HD12 LEU 26 21.776 2.081 -13.362
181 HD13 LEU 26 HD13 LEU 26 20.933 3.138 -12.230
182 HD21 LEU 26 HD21 LEU 26 20.524 1.075 -9.535
183 HD22 LEU 26 HD22 LEU 26 20.513 2.678 -10.272
184 HD23 LEU 26 HD23 LEU 26 22.046 1.892 -9.893
185 H TYR 27 H TYR 27 17.878 -1.635 -13.555
186 HA TYR 27 HA TYR 27 16.296 -3.245 -13.280
187 HB2 TYR 27 HB2 TYR 27 18.846 -4.686 -12.886
188 HB3 TYR 27 HB3 TYR 27 17.417 -5.486 -12.240
189 HD1 TYR 27 HD1 TYR 27 17.591 -3.359 -15.275
190 HD2 TYR 27 HD2 TYR 27 17.197 -7.301 -13.722
191 HE1 TYR 27 HE1 TYR 27 17.042 -4.185 -17.526
192 HE2 TYR 27 HE2 TYR 27 16.648 -8.137 -15.969
193 HH TYR 27 HH TYR 27 16.033 -5.995 -18.628
194 H TYR 28 H TYR 28 16.100 -1.467 -11.388
195 HA TYR 28 HA TYR 28 15.167 -2.956 -9.117
196 HB2 TYR 28 HB2 TYR 28 16.604 -2.223 -7.469
197 HB3 TYR 28 HB3 TYR 28 17.723 -2.392 -8.817
198 HD1 TYR 28 HD1 TYR 28 17.613 -0.086 -10.372
199 HD2 TYR 28 HD2 TYR 28 17.025 -0.376 -6.169
200 HE1 TYR 28 HE1 TYR 28 18.274 2.269 -10.124
201 HE2 TYR 28 HE2 TYR 28 17.684 1.980 -5.909
202 HH TYR 28 HH TYR 28 18.939 3.681 -7.079
203 H CYS 29 H CYS 29 13.722 -1.786 -7.826
204 HA CYS 29 HA CYS 29 12.378 0.340 -9.145
205 HB2 CYS 29 HB2 CYS 29 12.054 -0.686 -6.317
206 HB3 CYS 29 HB3 CYS 29 10.924 0.373 -7.157
207 H ALA 30 H ALA 30 13.022 2.380 -9.206
208 HA ALA 30 HA ALA 30 14.715 3.424 -7.059
209 HB1 ALA 30 HB1 ALA 30 15.449 3.644 -9.424
210 HB2 ALA 30 HB2 ALA 30 14.068 4.705 -9.709
211 HB3 ALA 30 HB3 ALA 30 15.327 5.181 -8.569
212 H TRP 31 H TRP 31 13.441 4.088 -5.412
213 HA TRP 31 HA TRP 31 10.884 5.254 -5.714
214 HB2 TRP 31 HB2 TRP 31 11.625 4.146 -3.638
215 HB3 TRP 31 HB3 TRP 31 12.793 5.437 -3.372
216 HD1 TRP 31 HD1 TRP 31 11.632 7.978 -3.039
217 HE1 TRP 31 HE1 TRP 31 9.486 8.579 -1.751
218 HE3 TRP 31 HE3 TRP 31 9.427 3.366 -2.934
219 HZ2 TRP 31 HZ2 TRP 31 7.166 7.272 -0.813
220 HZ3 TRP 31 HZ3 TRP 31 7.246 3.126 -1.821
221 HH2 TRP 31 HH2 TRP 31 6.140 5.040 -0.783
222 H ASP 32 H ASP 32 10.558 7.122 -6.729
223 HA ASP 32 HA ASP 32 12.002 9.481 -5.816
224 HB2 ASP 32 HB2 ASP 32 13.203 8.536 -7.841
225 HB3 ASP 32 HB3 ASP 32 11.755 8.909 -8.770
226 H GLY 33 H GLY 33 9.626 8.380 -8.243
227 HA2 GLY 33 HA2 GLY 33 7.329 8.950 -8.217
228 HA3 GLY 33 HA3 GLY 33 7.696 10.276 -7.124
229 H THR 34 H THR 34 10.001 11.019 -8.945
230 HA THR 34 HA THR 34 8.441 12.188 -11.151
231 HB THR 34 HB THR 34 9.908 14.251 -10.891
232 HG1 THR 34 HG1 THR 34 11.356 13.127 -9.359
233 HG21 THR 34 HG21 THR 34 7.451 13.742 -9.967
234 HG22 THR 34 HG22 THR 34 8.271 15.279 -9.688
235 HG23 THR 34 HG23 THR 34 8.264 14.042 -8.432
236 H PHE 35 H PHE 35 9.262 11.569 -13.029
237 HA PHE 35 HA PHE 35 12.053 10.725 -13.178
238 HB2 PHE 35 HB2 PHE 35 9.966 10.518 -15.348
239 HB3 PHE 35 HB3 PHE 35 11.481 9.629 -15.223
240 HD1 PHE 35 HD1 PHE 35 11.709 8.206 -12.997
241 HD2 PHE 35 HD2 PHE 35 8.034 9.440 -14.754
242 HE1 PHE 35 HE1 PHE 35 10.542 6.379 -11.832
243 HE2 PHE 35 HE2 PHE 35 6.861 7.616 -13.591
244 HZ PHE 35 HZ PHE 35 8.115 6.083 -12.128
Start of MODEL 12
1 H1 SER 1 H SER 1 0.091 -0.075 -6.289
2 HA SER 1 HA SER 1 0.610 1.326 -3.892
3 HB2 SER 1 HB2 SER 1 -1.243 -0.031 -2.954
4 HB3 SER 1 HB3 SER 1 -1.658 0.682 -4.512
5 HG SER 1 HG SER 1 -2.254 -1.527 -4.385
6 H GLU 2 H GLU 2 0.817 -2.154 -4.639
7 HA GLU 2 HA GLU 2 2.373 -2.557 -2.194
8 HB2 GLU 2 HB2 GLU 2 2.071 -4.977 -2.688
9 HB3 GLU 2 HB3 GLU 2 0.556 -4.107 -2.489
10 HG2 GLU 2 HG2 GLU 2 0.004 -4.279 -4.712
11 HG3 GLU 2 HG3 GLU 2 1.680 -4.465 -5.223
12 H CYS 3 H CYS 3 3.338 -1.291 -4.767
13 HA CYS 3 HA CYS 3 5.038 -2.896 -6.219
14 HB2 CYS 3 HB2 CYS 3 6.462 -0.793 -6.453
15 HB3 CYS 3 HB3 CYS 3 4.773 -0.657 -6.934
16 H ARG 4 H ARG 4 7.422 -3.036 -6.127
17 HA ARG 4 HA ARG 4 8.247 -3.965 -3.535
18 HB2 ARG 4 HB2 ARG 4 10.022 -3.691 -5.952
19 HB3 ARG 4 HB3 ARG 4 10.170 -4.822 -4.615
20 HG2 ARG 4 HG2 ARG 4 8.252 -6.052 -5.364
21 HG3 ARG 4 HG3 ARG 4 7.923 -4.852 -6.616
22 HD2 ARG 4 HD2 ARG 4 9.012 -6.456 -7.841
23 HD3 ARG 4 HD3 ARG 4 10.364 -5.426 -7.374
24 HE ARG 4 HE ARG 4 10.323 -7.234 -5.393
25 HH11 ARG 4 HH11 ARG 4 10.226 -7.569 -8.856
26 HH12 ARG 4 HH12 ARG 4 11.027 -9.104 -8.862
27 HH21 ARG 4 HH21 ARG 4 11.380 -9.256 -5.386
28 HH22 ARG 4 HH22 ARG 4 11.683 -10.064 -6.887
29 H TYR 5 H TYR 5 9.652 -3.044 -2.129
30 HA TYR 5 HA TYR 5 10.046 -0.245 -2.231
31 HB2 TYR 5 HB2 TYR 5 10.676 -2.437 -0.379
32 HB3 TYR 5 HB3 TYR 5 11.829 -1.108 -0.334
33 HD1 TYR 5 HD1 TYR 5 8.913 -2.321 1.096
34 HD2 TYR 5 HD2 TYR 5 10.615 1.304 -0.339
35 HE1 TYR 5 HE1 TYR 5 7.371 -1.041 2.521
36 HE2 TYR 5 HE2 TYR 5 9.079 2.595 1.083
37 HH TYR 5 HH TYR 5 6.412 1.627 2.260
38 H LEU 6 H LEU 6 12.306 0.704 -1.829
39 HA LEU 6 HA LEU 6 13.814 0.684 -4.078
40 HB2 LEU 6 HB2 LEU 6 13.997 2.115 -1.933
41 HB3 LEU 6 HB3 LEU 6 15.170 0.906 -1.417
42 HG LEU 6 HG LEU 6 16.226 1.502 -3.791
43 HD11 LEU 6 HD11 LEU 6 15.946 4.207 -3.560
44 HD12 LEU 6 HD12 LEU 6 14.308 3.637 -3.242
45 HD13 LEU 6 HD13 LEU 6 15.119 3.194 -4.744
46 HD21 LEU 6 HD21 LEU 6 16.683 3.398 -1.517
47 HD22 LEU 6 HD22 LEU 6 17.852 2.705 -2.641
48 HD23 LEU 6 HD23 LEU 6 17.128 1.697 -1.386
49 H PHE 7 H PHE 7 15.273 -0.591 -5.046
50 HA PHE 7 HA PHE 7 16.566 -2.401 -5.512
51 HB2 PHE 7 HB2 PHE 7 17.082 -2.182 -2.545
52 HB3 PHE 7 HB3 PHE 7 17.921 -3.329 -3.583
53 HD1 PHE 7 HD1 PHE 7 17.967 -0.079 -2.223
54 HD2 PHE 7 HD2 PHE 7 19.115 -2.314 -5.659
55 HE1 PHE 7 HE1 PHE 7 19.615 1.655 -2.797
56 HE2 PHE 7 HE2 PHE 7 20.765 -0.585 -6.237
57 HZ PHE 7 HZ PHE 7 21.017 1.405 -4.806
58 H GLY 8 H GLY 8 13.991 -3.045 -5.525
59 HA2 GLY 8 HA2 GLY 8 13.545 -5.340 -3.776
60 HA3 GLY 8 HA3 GLY 8 12.377 -4.630 -4.879
61 H GLY 9 H GLY 9 15.189 -4.914 -6.569
62 HA2 GLY 9 HA2 GLY 9 16.013 -6.431 -8.092
63 HA3 GLY 9 HA3 GLY 9 15.202 -7.696 -7.181
64 H CYS 10 H CYS 10 14.012 -4.867 -8.990
65 HA CYS 10 HA CYS 10 11.929 -6.496 -10.172
66 HB2 CYS 10 HB2 CYS 10 11.009 -4.447 -10.998
67 HB3 CYS 10 HB3 CYS 10 11.554 -4.143 -9.351
68 H LYS 11 H LYS 11 11.490 -5.848 -12.618
69 HA LYS 11 HA LYS 11 14.019 -6.080 -14.104
70 HB2 LYS 11 HB2 LYS 11 11.505 -7.619 -14.763
71 HB3 LYS 11 HB3 LYS 11 13.070 -7.757 -15.554
72 HG2 LYS 11 HG2 LYS 11 13.996 -8.544 -13.356
73 HG3 LYS 11 HG3 LYS 11 12.332 -8.618 -12.769
74 HD2 LYS 11 HD2 LYS 11 12.985 -10.807 -13.521
75 HD3 LYS 11 HD3 LYS 11 11.797 -10.152 -14.650
76 HE2 LYS 11 HE2 LYS 11 13.479 -9.641 -16.249
77 HE3 LYS 11 HE3 LYS 11 14.769 -9.960 -15.090
78 HZ1 LYS 11 HZ1 LYS 11 14.794 -11.929 -16.160
79 HZ2 LYS 11 HZ2 LYS 11 13.182 -11.825 -16.661
80 HZ3 LYS 11 HZ3 LYS 11 13.547 -12.306 -15.080
81 H THR 12 H THR 12 10.623 -5.160 -14.116
82 HA THR 12 HA THR 12 11.218 -3.258 -16.278
83 HB THR 12 HB THR 12 9.097 -3.665 -17.350
84 HG1 THR 12 HG1 THR 12 7.687 -5.274 -16.556
85 HG21 THR 12 HG21 THR 12 9.402 -6.011 -18.094
86 HG22 THR 12 HG22 THR 12 10.576 -6.240 -16.798
87 HG23 THR 12 HG23 THR 12 10.905 -5.090 -18.094
88 H THR 13 H THR 13 9.613 -1.483 -16.408
89 HA THR 13 HA THR 13 9.299 -0.193 -13.954
90 HB THR 13 HB THR 13 7.628 0.376 -16.403
91 HG1 THR 13 HG1 THR 13 9.387 1.704 -17.046
92 HG21 THR 13 HG21 THR 13 8.685 2.610 -14.868
93 HG22 THR 13 HG22 THR 13 7.655 1.554 -13.902
94 HG23 THR 13 HG23 THR 13 7.032 2.278 -15.385
95 H ALA 14 H ALA 14 7.121 -2.284 -15.737
96 HA ALA 14 HA ALA 14 4.749 -1.717 -14.337
97 HB1 ALA 14 HB1 ALA 14 3.858 -3.242 -15.697
98 HB2 ALA 14 HB2 ALA 14 5.456 -3.355 -16.434
99 HB3 ALA 14 HB3 ALA 14 4.985 -4.493 -15.172
100 H ASP 15 H ASP 15 7.539 -3.591 -13.498
101 HA ASP 15 HA ASP 15 6.368 -5.233 -11.514
102 HB2 ASP 15 HB2 ASP 15 9.219 -4.265 -11.812
103 HB3 ASP 15 HB3 ASP 15 8.698 -5.534 -10.708
104 H CYS 16 H CYS 16 7.474 -1.937 -11.536
105 HA CYS 16 HA CYS 16 6.968 -1.754 -8.639
106 HB2 CYS 16 HB2 CYS 16 8.464 0.313 -10.234
107 HB3 CYS 16 HB3 CYS 16 8.505 0.022 -8.498
108 H CYS 17 H CYS 17 6.266 0.576 -8.022
109 HA CYS 17 HA CYS 17 3.898 1.167 -9.624
110 HB2 CYS 17 HB2 CYS 17 3.229 2.552 -7.663
111 HB3 CYS 17 HB3 CYS 17 3.509 0.861 -7.260
112 H LYS 18 H LYS 18 3.278 3.589 -9.624
113 HA LYS 18 HA LYS 18 4.976 4.976 -11.297
114 HB2 LYS 18 HB2 LYS 18 3.649 7.005 -10.666
115 HB3 LYS 18 HB3 LYS 18 2.675 5.618 -11.134
116 HG2 LYS 18 HG2 LYS 18 2.497 5.119 -8.638
117 HG3 LYS 18 HG3 LYS 18 3.116 6.755 -8.396
118 HD2 LYS 18 HD2 LYS 18 1.241 7.735 -9.393
119 HD3 LYS 18 HD3 LYS 18 0.759 6.229 -10.177
120 HE2 LYS 18 HE2 LYS 18 0.250 5.276 -7.959
121 HE3 LYS 18 HE3 LYS 18 0.667 6.821 -7.220
122 HZ1 LYS 18 HZ1 LYS 18 -1.281 6.992 -9.346
123 HZ2 LYS 18 HZ2 LYS 18 -1.277 7.720 -7.820
124 HZ3 LYS 18 HZ3 LYS 18 -1.805 6.122 -7.993
125 H HIS 19 H HIS 19 4.691 5.216 -7.774
126 HA HIS 19 HA HIS 19 6.382 7.352 -7.302
127 HB2 HIS 19 HB2 HIS 19 6.047 4.845 -5.641
128 HB3 HIS 19 HB3 HIS 19 6.777 6.344 -5.074
129 HD1 HIS 19 HD1 HIS 19 5.228 7.980 -4.026
130 HD2 HIS 19 HD2 HIS 19 3.215 5.207 -6.377
131 HE1 HIS 19 HE1 HIS 19 2.783 8.440 -3.664
132 H LEU 20 H LEU 20 7.159 4.053 -8.144
133 HA LEU 20 HA LEU 20 10.025 4.645 -7.868
134 HB2 LEU 20 HB2 LEU 20 8.739 1.961 -8.320
135 HB3 LEU 20 HB3 LEU 20 10.413 2.285 -7.872
136 HG LEU 20 HG LEU 20 8.273 3.177 -6.009
137 HD11 LEU 20 HD11 LEU 20 9.160 0.310 -6.282
138 HD12 LEU 20 HD12 LEU 20 7.544 0.936 -6.610
139 HD13 LEU 20 HD13 LEU 20 8.185 0.968 -4.968
140 HD21 LEU 20 HD21 LEU 20 10.336 1.867 -4.684
141 HD22 LEU 20 HD22 LEU 20 10.124 3.609 -4.855
142 HD23 LEU 20 HD23 LEU 20 11.126 2.725 -6.006
143 H GLY 21 H GLY 21 11.417 3.533 -9.573
144 HA2 GLY 21 HA2 GLY 21 10.125 3.469 -12.206
145 HA3 GLY 21 HA3 GLY 21 11.441 4.605 -11.955
146 H CYS 22 H CYS 22 10.570 1.219 -12.172
147 HA CYS 22 HA CYS 22 12.960 -0.033 -11.654
148 HB2 CYS 22 HB2 CYS 22 10.684 -1.040 -12.332
149 HB3 CYS 22 HB3 CYS 22 11.244 -0.848 -13.991
150 H ARG 23 H ARG 23 14.930 0.296 -12.419
151 HA ARG 23 HA ARG 23 15.336 1.665 -14.934
152 HB2 ARG 23 HB2 ARG 23 17.086 0.813 -12.663
153 HB3 ARG 23 HB3 ARG 23 17.824 1.185 -14.216
154 HG2 ARG 23 HG2 ARG 23 16.615 3.402 -14.113
155 HG3 ARG 23 HG3 ARG 23 16.240 3.008 -12.434
156 HD2 ARG 23 HD2 ARG 23 18.179 4.138 -12.091
157 HD3 ARG 23 HD3 ARG 23 18.858 2.537 -12.379
158 HE ARG 23 HE ARG 23 18.800 3.598 -14.851
159 HH11 ARG 23 HH11 ARG 23 20.003 4.783 -11.806
160 HH12 ARG 23 HH12 ARG 23 21.260 5.734 -12.525
161 HH21 ARG 23 HH21 ARG 23 20.450 4.847 -15.809
162 HH22 ARG 23 HH22 ARG 23 21.513 5.771 -14.802
163 H THR 24 H THR 24 16.361 0.848 -16.746
164 HA THR 24 HA THR 24 16.074 -2.001 -17.136
165 HB THR 24 HB THR 24 16.608 -1.577 -19.465
166 HG1 THR 24 HG1 THR 24 16.919 1.178 -18.934
167 HG21 THR 24 HG21 THR 24 14.356 -0.807 -18.287
168 HG22 THR 24 HG22 THR 24 14.653 -0.518 -20.001
169 HG23 THR 24 HG23 THR 24 14.906 0.777 -18.831
170 H ASP 25 H ASP 25 18.615 0.233 -16.459
171 HA ASP 25 HA ASP 25 20.685 -1.681 -17.228
172 HB2 ASP 25 HB2 ASP 25 20.730 1.208 -16.384
173 HB3 ASP 25 HB3 ASP 25 22.204 0.244 -16.413
174 H LEU 26 H LEU 26 19.334 -0.104 -14.380
175 HA LEU 26 HA LEU 26 21.187 -1.482 -12.615
176 HB2 LEU 26 HB2 LEU 26 19.013 0.541 -12.215
177 HB3 LEU 26 HB3 LEU 26 19.707 -0.329 -10.847
178 HG LEU 26 HG LEU 26 20.741 1.838 -11.042
179 HD11 LEU 26 HD11 LEU 26 22.115 -0.600 -11.015
180 HD12 LEU 26 HD12 LEU 26 22.679 0.959 -10.417
181 HD13 LEU 26 HD13 LEU 26 23.042 0.466 -12.071
182 HD21 LEU 26 HD21 LEU 26 20.289 1.778 -13.644
183 HD22 LEU 26 HD22 LEU 26 21.953 1.195 -13.678
184 HD23 LEU 26 HD23 LEU 26 21.581 2.760 -12.953
185 H TYR 27 H TYR 27 17.823 -1.629 -13.594
186 HA TYR 27 HA TYR 27 16.210 -3.205 -13.300
187 HB2 TYR 27 HB2 TYR 27 18.733 -4.704 -12.966
188 HB3 TYR 27 HB3 TYR 27 17.302 -5.477 -12.292
189 HD1 TYR 27 HD1 TYR 27 17.387 -3.327 -15.307
190 HD2 TYR 27 HD2 TYR 27 17.080 -7.291 -13.793
191 HE1 TYR 27 HE1 TYR 27 16.769 -4.128 -17.548
192 HE2 TYR 27 HE2 TYR 27 16.461 -8.104 -16.030
193 HH TYR 27 HH TYR 27 16.994 -6.562 -18.759
194 H TYR 28 H TYR 28 16.094 -1.433 -11.393
195 HA TYR 28 HA TYR 28 15.186 -2.925 -9.106
196 HB2 TYR 28 HB2 TYR 28 16.662 -2.199 -7.489
197 HB3 TYR 28 HB3 TYR 28 17.750 -2.368 -8.862
198 HD1 TYR 28 HD1 TYR 28 17.700 -0.087 -10.402
199 HD2 TYR 28 HD2 TYR 28 17.031 -0.329 -6.207
200 HE1 TYR 28 HE1 TYR 28 18.372 2.267 -10.166
201 HE2 TYR 28 HE2 TYR 28 17.700 2.025 -5.959
202 HH TYR 28 HH TYR 28 19.404 3.656 -7.800
203 H CYS 29 H CYS 29 13.706 -1.798 -7.862
204 HA CYS 29 HA CYS 29 12.376 0.356 -9.132
205 HB2 CYS 29 HB2 CYS 29 12.067 -0.691 -6.310
206 HB3 CYS 29 HB3 CYS 29 10.935 0.373 -7.137
207 H ALA 30 H ALA 30 13.021 2.396 -9.176
208 HA ALA 30 HA ALA 30 14.723 3.420 -7.022
209 HB1 ALA 30 HB1 ALA 30 15.848 4.277 -8.735
210 HB2 ALA 30 HB2 ALA 30 14.556 3.874 -9.868
211 HB3 ALA 30 HB3 ALA 30 14.500 5.392 -8.972
212 H TRP 31 H TRP 31 13.457 4.094 -5.376
213 HA TRP 31 HA TRP 31 10.904 5.269 -5.678
214 HB2 TRP 31 HB2 TRP 31 11.668 4.144 -3.607
215 HB3 TRP 31 HB3 TRP 31 12.797 5.468 -3.327
216 HD1 TRP 31 HD1 TRP 31 11.590 7.959 -2.942
217 HE1 TRP 31 HE1 TRP 31 9.405 8.502 -1.692
218 HE3 TRP 31 HE3 TRP 31 9.447 3.318 -3.000
219 HZ2 TRP 31 HZ2 TRP 31 7.083 7.141 -0.842
220 HZ3 TRP 31 HZ3 TRP 31 7.243 3.023 -1.946
221 HH2 TRP 31 HH2 TRP 31 6.087 4.896 -0.890
222 H ASP 32 H ASP 32 10.576 7.149 -6.668
223 HA ASP 32 HA ASP 32 12.036 9.495 -5.751
224 HB2 ASP 32 HB2 ASP 32 13.234 8.555 -7.779
225 HB3 ASP 32 HB3 ASP 32 11.787 8.938 -8.708
226 H GLY 33 H GLY 33 9.648 8.406 -8.171
227 HA2 GLY 33 HA2 GLY 33 7.351 8.989 -8.116
228 HA3 GLY 33 HA3 GLY 33 7.744 10.336 -7.058
229 H THR 34 H THR 34 10.033 11.012 -8.927
230 HA THR 34 HA THR 34 8.456 12.144 -11.141
231 HB THR 34 HB THR 34 9.721 14.244 -10.969
232 HG1 THR 34 HG1 THR 34 10.775 13.078 -8.588
233 HG21 THR 34 HG21 THR 34 8.540 13.685 -8.262
234 HG22 THR 34 HG22 THR 34 7.533 13.794 -9.707
235 HG23 THR 34 HG23 THR 34 8.498 15.179 -9.196
236 H PHE 35 H PHE 35 9.678 12.688 -13.039
237 HA PHE 35 HA PHE 35 12.407 11.693 -13.206
238 HB2 PHE 35 HB2 PHE 35 10.057 10.409 -14.521
239 HB3 PHE 35 HB3 PHE 35 11.568 10.493 -15.421
240 HD1 PHE 35 HD1 PHE 35 13.674 9.891 -13.746
241 HD2 PHE 35 HD2 PHE 35 9.696 8.398 -13.504
242 HE1 PHE 35 HE1 PHE 35 14.497 7.902 -12.552
243 HE2 PHE 35 HE2 PHE 35 10.511 6.408 -12.310
244 HZ PHE 35 HZ PHE 35 12.915 6.158 -11.832
Start of MODEL 13
1 H1 SER 1 H SER 1 0.481 0.571 -6.224
2 HA SER 1 HA SER 1 0.317 1.163 -3.561
3 HB2 SER 1 HB2 SER 1 -1.581 0.319 -4.870
4 HB3 SER 1 HB3 SER 1 -0.840 -1.280 -4.930
5 HG SER 1 HG SER 1 -2.484 -0.897 -3.248
6 H GLU 2 H GLU 2 0.904 -2.184 -4.632
7 HA GLU 2 HA GLU 2 2.439 -2.622 -2.172
8 HB2 GLU 2 HB2 GLU 2 0.425 -4.088 -2.969
9 HB3 GLU 2 HB3 GLU 2 1.615 -4.816 -4.039
10 HG2 GLU 2 HG2 GLU 2 2.975 -5.459 -2.146
11 HG3 GLU 2 HG3 GLU 2 1.860 -4.654 -1.045
12 H CYS 3 H CYS 3 3.377 -1.335 -4.745
13 HA CYS 3 HA CYS 3 5.063 -2.929 -6.226
14 HB2 CYS 3 HB2 CYS 3 6.479 -0.824 -6.467
15 HB3 CYS 3 HB3 CYS 3 4.784 -0.684 -6.921
16 H ARG 4 H ARG 4 7.429 -3.115 -6.159
17 HA ARG 4 HA ARG 4 8.286 -4.022 -3.570
18 HB2 ARG 4 HB2 ARG 4 10.030 -3.804 -6.015
19 HB3 ARG 4 HB3 ARG 4 10.171 -4.928 -4.670
20 HG2 ARG 4 HG2 ARG 4 8.184 -6.098 -5.388
21 HG3 ARG 4 HG3 ARG 4 7.930 -4.922 -6.680
22 HD2 ARG 4 HD2 ARG 4 9.036 -6.432 -7.931
23 HD3 ARG 4 HD3 ARG 4 10.464 -5.695 -7.206
24 HE ARG 4 HE ARG 4 10.848 -7.657 -6.112
25 HH11 ARG 4 HH11 ARG 4 7.505 -7.561 -7.077
26 HH12 ARG 4 HH12 ARG 4 7.171 -9.177 -6.550
27 HH21 ARG 4 HH21 ARG 4 10.422 -9.787 -5.414
28 HH22 ARG 4 HH22 ARG 4 8.831 -10.442 -5.603
29 H TYR 5 H TYR 5 9.536 -2.997 -2.135
30 HA TYR 5 HA TYR 5 10.035 -0.244 -2.324
31 HB2 TYR 5 HB2 TYR 5 10.638 -2.399 -0.420
32 HB3 TYR 5 HB3 TYR 5 11.799 -1.078 -0.402
33 HD1 TYR 5 HD1 TYR 5 8.871 -2.240 1.045
34 HD2 TYR 5 HD2 TYR 5 10.599 1.342 -0.467
35 HE1 TYR 5 HE1 TYR 5 7.332 -0.918 2.435
36 HE2 TYR 5 HE2 TYR 5 9.066 2.674 0.919
37 HH TYR 5 HH TYR 5 7.662 2.535 2.767
38 H LEU 6 H LEU 6 12.305 0.684 -1.937
39 HA LEU 6 HA LEU 6 13.820 0.590 -4.181
40 HB2 LEU 6 HB2 LEU 6 14.017 2.092 -2.103
41 HB3 LEU 6 HB3 LEU 6 15.141 0.874 -1.504
42 HG LEU 6 HG LEU 6 16.279 1.335 -3.868
43 HD11 LEU 6 HD11 LEU 6 15.203 2.996 -4.920
44 HD12 LEU 6 HD12 LEU 6 16.089 4.039 -3.808
45 HD13 LEU 6 HD13 LEU 6 14.429 3.571 -3.443
46 HD21 LEU 6 HD21 LEU 6 17.932 2.061 -2.566
47 HD22 LEU 6 HD22 LEU 6 16.804 1.943 -1.214
48 HD23 LEU 6 HD23 LEU 6 17.008 3.477 -2.061
49 H PHE 7 H PHE 7 15.356 -0.671 -5.076
50 HA PHE 7 HA PHE 7 16.649 -2.496 -5.483
51 HB2 PHE 7 HB2 PHE 7 17.045 -2.118 -2.530
52 HB3 PHE 7 HB3 PHE 7 17.772 -3.493 -3.356
53 HD1 PHE 7 HD1 PHE 7 17.957 0.048 -2.712
54 HD2 PHE 7 HD2 PHE 7 19.408 -3.095 -5.189
55 HE1 PHE 7 HE1 PHE 7 19.842 1.469 -3.404
56 HE2 PHE 7 HE2 PHE 7 21.296 -1.679 -5.885
57 HZ PHE 7 HZ PHE 7 21.514 0.606 -4.994
58 H GLY 8 H GLY 8 13.962 -3.006 -5.456
59 HA2 GLY 8 HA2 GLY 8 13.467 -5.357 -3.816
60 HA3 GLY 8 HA3 GLY 8 12.330 -4.593 -4.917
61 H GLY 9 H GLY 9 15.244 -4.969 -6.484
62 HA2 GLY 9 HA2 GLY 9 16.009 -6.426 -8.085
63 HA3 GLY 9 HA3 GLY 9 15.203 -7.703 -7.187
64 H CYS 10 H CYS 10 14.016 -4.854 -8.970
65 HA CYS 10 HA CYS 10 11.914 -6.458 -10.148
66 HB2 CYS 10 HB2 CYS 10 11.002 -4.407 -10.948
67 HB3 CYS 10 HB3 CYS 10 11.595 -4.089 -9.321
68 H LYS 11 H LYS 11 11.471 -5.847 -12.588
69 HA LYS 11 HA LYS 11 13.992 -6.081 -14.088
70 HB2 LYS 11 HB2 LYS 11 11.477 -7.714 -14.460
71 HB3 LYS 11 HB3 LYS 11 12.795 -7.670 -15.624
72 HG2 LYS 11 HG2 LYS 11 14.225 -8.337 -13.512
73 HG3 LYS 11 HG3 LYS 11 12.666 -8.943 -12.944
74 HD2 LYS 11 HD2 LYS 11 13.978 -9.669 -15.564
75 HD3 LYS 11 HD3 LYS 11 13.967 -10.674 -14.112
76 HE2 LYS 11 HE2 LYS 11 11.529 -9.758 -15.636
77 HE3 LYS 11 HE3 LYS 11 12.252 -11.364 -15.731
78 HZ1 LYS 11 HZ1 LYS 11 10.524 -11.598 -14.217
79 HZ2 LYS 11 HZ2 LYS 11 10.832 -10.116 -13.461
80 HZ3 LYS 11 HZ3 LYS 11 11.881 -11.422 -13.222
81 H THR 12 H THR 12 10.588 -5.177 -14.097
82 HA THR 12 HA THR 12 11.173 -3.279 -16.265
83 HB THR 12 HB THR 12 8.847 -3.675 -17.139
84 HG1 THR 12 HG1 THR 12 9.026 -6.007 -15.504
85 HG21 THR 12 HG21 THR 12 9.448 -5.889 -18.228
86 HG22 THR 12 HG22 THR 12 10.905 -5.871 -17.233
87 HG23 THR 12 HG23 THR 12 10.623 -4.587 -18.409
88 H THR 13 H THR 13 9.564 -1.509 -16.399
89 HA THR 13 HA THR 13 9.252 -0.205 -13.955
90 HB THR 13 HB THR 13 7.544 0.337 -16.384
91 HG1 THR 13 HG1 THR 13 9.371 0.726 -17.370
92 HG21 THR 13 HG21 THR 13 8.523 2.673 -15.104
93 HG22 THR 13 HG22 THR 13 7.872 1.610 -13.856
94 HG23 THR 13 HG23 THR 13 6.858 2.101 -15.212
95 H ALA 14 H ALA 14 7.066 -2.314 -15.713
96 HA ALA 14 HA ALA 14 4.707 -1.757 -14.293
97 HB1 ALA 14 HB1 ALA 14 3.876 -3.857 -15.160
98 HB2 ALA 14 HB2 ALA 14 4.780 -3.008 -16.414
99 HB3 ALA 14 HB3 ALA 14 5.514 -4.369 -15.567
100 H ASP 15 H ASP 15 7.512 -3.620 -13.475
101 HA ASP 15 HA ASP 15 6.366 -5.252 -11.467
102 HB2 ASP 15 HB2 ASP 15 9.214 -4.283 -11.791
103 HB3 ASP 15 HB3 ASP 15 8.699 -5.561 -10.694
104 H CYS 16 H CYS 16 7.468 -1.955 -11.523
105 HA CYS 16 HA CYS 16 7.000 -1.754 -8.621
106 HB2 CYS 16 HB2 CYS 16 8.486 0.282 -10.269
107 HB3 CYS 16 HB3 CYS 16 8.520 0.051 -8.523
108 H CYS 17 H CYS 17 6.296 0.570 -8.005
109 HA CYS 17 HA CYS 17 3.917 1.159 -9.594
110 HB2 CYS 17 HB2 CYS 17 3.249 2.530 -7.621
111 HB3 CYS 17 HB3 CYS 17 3.532 0.836 -7.232
112 H LYS 18 H LYS 18 3.290 3.576 -9.586
113 HA LYS 18 HA LYS 18 4.983 4.980 -11.247
114 HB2 LYS 18 HB2 LYS 18 3.641 6.988 -10.653
115 HB3 LYS 18 HB3 LYS 18 2.658 5.584 -11.047
116 HG2 LYS 18 HG2 LYS 18 2.623 5.186 -8.494
117 HG3 LYS 18 HG3 LYS 18 3.125 6.876 -8.394
118 HD2 LYS 18 HD2 LYS 18 1.161 7.499 -9.761
119 HD3 LYS 18 HD3 LYS 18 0.646 5.811 -9.748
120 HE2 LYS 18 HE2 LYS 18 0.627 5.939 -7.242
121 HE3 LYS 18 HE3 LYS 18 0.901 7.674 -7.393
122 HZ1 LYS 18 HZ1 LYS 18 -1.394 7.447 -7.186
123 HZ2 LYS 18 HZ2 LYS 18 -1.467 6.114 -8.223
124 HZ3 LYS 18 HZ3 LYS 18 -1.166 7.656 -8.849
125 H HIS 19 H HIS 19 4.724 5.152 -7.722
126 HA HIS 19 HA HIS 19 6.380 7.309 -7.217
127 HB2 HIS 19 HB2 HIS 19 6.199 4.767 -5.587
128 HB3 HIS 19 HB3 HIS 19 6.756 6.335 -5.010
129 HD1 HIS 19 HD1 HIS 19 4.424 4.978 -3.602
130 HD2 HIS 19 HD2 HIS 19 3.962 7.653 -6.747
131 HE1 HIS 19 HE1 HIS 19 2.092 5.890 -3.372
132 H LEU 20 H LEU 20 7.207 4.037 -8.129
133 HA LEU 20 HA LEU 20 10.065 4.702 -7.910
134 HB2 LEU 20 HB2 LEU 20 8.856 1.972 -8.291
135 HB3 LEU 20 HB3 LEU 20 10.522 2.359 -7.866
136 HG LEU 20 HG LEU 20 8.455 3.282 -5.969
137 HD11 LEU 20 HD11 LEU 20 9.170 0.362 -6.152
138 HD12 LEU 20 HD12 LEU 20 7.631 1.044 -6.675
139 HD13 LEU 20 HD13 LEU 20 8.103 1.132 -4.978
140 HD21 LEU 20 HD21 LEU 20 10.287 3.480 -4.735
141 HD22 LEU 20 HD22 LEU 20 11.252 2.785 -6.037
142 HD23 LEU 20 HD23 LEU 20 10.533 1.735 -4.815
143 H GLY 21 H GLY 21 11.442 3.594 -9.631
144 HA2 GLY 21 HA2 GLY 21 10.080 3.471 -12.229
145 HA3 GLY 21 HA3 GLY 21 11.399 4.616 -12.026
146 H CYS 22 H CYS 22 10.534 1.225 -12.181
147 HA CYS 22 HA CYS 22 12.939 -0.014 -11.706
148 HB2 CYS 22 HB2 CYS 22 10.652 -1.036 -12.317
149 HB3 CYS 22 HB3 CYS 22 11.172 -0.861 -13.990
150 H ARG 23 H ARG 23 14.890 0.317 -12.520
151 HA ARG 23 HA ARG 23 15.196 1.585 -15.118
152 HB2 ARG 23 HB2 ARG 23 17.046 0.985 -12.832
153 HB3 ARG 23 HB3 ARG 23 17.696 1.398 -14.413
154 HG2 ARG 23 HG2 ARG 23 16.395 3.505 -14.346
155 HG3 ARG 23 HG3 ARG 23 15.891 3.096 -12.705
156 HD2 ARG 23 HD2 ARG 23 17.701 4.381 -12.207
157 HD3 ARG 23 HD3 ARG 23 18.510 2.824 -12.379
158 HE ARG 23 HE ARG 23 18.640 3.821 -14.873
159 HH11 ARG 23 HH11 ARG 23 19.428 5.168 -11.761
160 HH12 ARG 23 HH12 ARG 23 20.682 6.193 -12.376
161 HH21 ARG 23 HH21 ARG 23 20.288 5.166 -15.696
162 HH22 ARG 23 HH22 ARG 23 21.170 6.192 -14.614
163 H THR 24 H THR 24 16.281 0.699 -16.865
164 HA THR 24 HA THR 24 16.185 -2.185 -17.028
165 HB THR 24 HB THR 24 15.431 -0.688 -18.899
166 HG1 THR 24 HG1 THR 24 17.550 -2.416 -19.682
167 HG21 THR 24 HG21 THR 24 18.392 -0.307 -19.352
168 HG22 THR 24 HG22 THR 24 17.305 0.931 -18.720
169 HG23 THR 24 HG23 THR 24 17.080 0.310 -20.355
170 H ASP 25 H ASP 25 18.556 0.236 -16.462
171 HA ASP 25 HA ASP 25 20.770 -1.530 -17.165
172 HB2 ASP 25 HB2 ASP 25 20.805 1.296 -16.083
173 HB3 ASP 25 HB3 ASP 25 22.204 0.395 -16.661
174 H LEU 26 H LEU 26 19.204 -0.118 -14.355
175 HA LEU 26 HA LEU 26 21.141 -1.367 -12.563
176 HB2 LEU 26 HB2 LEU 26 18.867 0.550 -12.135
177 HB3 LEU 26 HB3 LEU 26 19.711 -0.224 -10.796
178 HG LEU 26 HG LEU 26 20.603 1.969 -11.055
179 HD11 LEU 26 HD11 LEU 26 22.140 -0.308 -11.129
180 HD12 LEU 26 HD12 LEU 26 22.719 1.322 -10.786
181 HD13 LEU 26 HD13 LEU 26 22.821 0.677 -12.425
182 HD21 LEU 26 HD21 LEU 26 21.150 2.995 -13.022
183 HD22 LEU 26 HD22 LEU 26 19.848 1.945 -13.582
184 HD23 LEU 26 HD23 LEU 26 21.531 1.479 -13.838
185 H TYR 27 H TYR 27 17.785 -1.610 -13.552
186 HA TYR 27 HA TYR 27 16.212 -3.223 -13.245
187 HB2 TYR 27 HB2 TYR 27 18.771 -4.657 -12.890
188 HB3 TYR 27 HB3 TYR 27 17.352 -5.461 -12.226
189 HD1 TYR 27 HD1 TYR 27 17.471 -3.328 -15.259
190 HD2 TYR 27 HD2 TYR 27 17.131 -7.277 -13.711
191 HE1 TYR 27 HE1 TYR 27 16.894 -4.153 -17.503
192 HE2 TYR 27 HE2 TYR 27 16.554 -8.112 -15.951
193 HH TYR 27 HH TYR 27 15.653 -7.285 -18.049
194 H TYR 28 H TYR 28 16.046 -1.441 -11.352
195 HA TYR 28 HA TYR 28 15.143 -2.925 -9.068
196 HB2 TYR 28 HB2 TYR 28 16.616 -2.219 -7.441
197 HB3 TYR 28 HB3 TYR 28 17.711 -2.390 -8.809
198 HD1 TYR 28 HD1 TYR 28 17.676 -0.098 -10.339
199 HD2 TYR 28 HD2 TYR 28 17.004 -0.362 -6.146
200 HE1 TYR 28 HE1 TYR 28 18.365 2.250 -10.087
201 HE2 TYR 28 HE2 TYR 28 17.690 1.985 -5.883
202 HH TYR 28 HH TYR 28 17.788 4.048 -7.323
203 H CYS 29 H CYS 29 13.676 -1.782 -7.815
204 HA CYS 29 HA CYS 29 12.366 0.385 -9.086
205 HB2 CYS 29 HB2 CYS 29 12.038 -0.645 -6.260
206 HB3 CYS 29 HB3 CYS 29 10.910 0.404 -7.113
207 H ALA 30 H ALA 30 13.032 2.418 -9.127
208 HA ALA 30 HA ALA 30 14.730 3.424 -6.962
209 HB1 ALA 30 HB1 ALA 30 15.878 4.151 -8.738
210 HB2 ALA 30 HB2 ALA 30 14.498 3.966 -9.822
211 HB3 ALA 30 HB3 ALA 30 14.653 5.417 -8.832
212 H TRP 31 H TRP 31 13.450 4.107 -5.328
213 HA TRP 31 HA TRP 31 10.913 5.293 -5.636
214 HB2 TRP 31 HB2 TRP 31 11.708 4.213 -3.546
215 HB3 TRP 31 HB3 TRP 31 12.820 5.556 -3.302
216 HD1 TRP 31 HD1 TRP 31 11.579 8.040 -2.967
217 HE1 TRP 31 HE1 TRP 31 9.395 8.580 -1.715
218 HE3 TRP 31 HE3 TRP 31 9.505 3.369 -2.903
219 HZ2 TRP 31 HZ2 TRP 31 7.098 7.206 -0.818
220 HZ3 TRP 31 HZ3 TRP 31 7.313 3.065 -1.828
221 HH2 TRP 31 HH2 TRP 31 6.136 4.945 -0.807
222 H ASP 32 H ASP 32 10.574 7.149 -6.667
223 HA ASP 32 HA ASP 32 12.016 9.523 -5.801
224 HB2 ASP 32 HB2 ASP 32 13.186 8.460 -7.842
225 HB3 ASP 32 HB3 ASP 32 11.781 9.003 -8.756
226 H GLY 33 H GLY 33 9.684 8.379 -8.252
227 HA2 GLY 33 HA2 GLY 33 7.397 8.944 -8.315
228 HA3 GLY 33 HA3 GLY 33 7.710 10.248 -7.179
229 H THR 34 H THR 34 10.069 11.058 -8.902
230 HA THR 34 HA THR 34 8.517 12.385 -11.029
231 HB THR 34 HB THR 34 10.131 14.292 -10.813
232 HG1 THR 34 HG1 THR 34 11.818 13.313 -9.704
233 HG21 THR 34 HG21 THR 34 7.825 13.847 -9.475
234 HG22 THR 34 HG22 THR 34 8.749 15.345 -9.364
235 HG23 THR 34 HG23 THR 34 8.931 14.103 -8.126
236 H PHE 35 H PHE 35 9.145 11.853 -13.006
237 HA PHE 35 HA PHE 35 11.987 11.292 -13.493
238 HB2 PHE 35 HB2 PHE 35 9.649 9.635 -14.456
239 HB3 PHE 35 HB3 PHE 35 11.295 9.461 -15.054
240 HD1 PHE 35 HD1 PHE 35 12.944 9.582 -12.715
241 HD2 PHE 35 HD2 PHE 35 9.116 7.787 -13.203
242 HE1 PHE 35 HE1 PHE 35 13.445 8.023 -10.880
243 HE2 PHE 35 HE2 PHE 35 9.611 6.225 -11.368
244 HZ PHE 35 HZ PHE 35 11.777 6.342 -10.203
Start of MODEL 14
1 H1 SER 1 H SER 1 1.137 -0.105 0.613
2 HA SER 1 HA SER 1 2.124 0.883 -1.960
3 HB2 SER 1 HB2 SER 1 3.572 -0.556 0.278
4 HB3 SER 1 HB3 SER 1 4.325 0.066 -1.190
5 HG SER 1 HG SER 1 4.589 1.736 0.110
6 H GLU 2 H GLU 2 1.553 -0.358 -3.628
7 HA GLU 2 HA GLU 2 1.536 -3.274 -3.294
8 HB2 GLU 2 HB2 GLU 2 0.411 -1.639 -5.573
9 HB3 GLU 2 HB3 GLU 2 0.178 -3.359 -5.300
10 HG2 GLU 2 HG2 GLU 2 -1.038 -2.858 -3.233
11 HG3 GLU 2 HG3 GLU 2 -0.829 -1.135 -3.540
12 H CYS 3 H CYS 3 3.906 -1.446 -3.736
13 HA CYS 3 HA CYS 3 4.972 -2.846 -6.099
14 HB2 CYS 3 HB2 CYS 3 6.487 -0.765 -6.309
15 HB3 CYS 3 HB3 CYS 3 4.817 -0.634 -6.854
16 H ARG 4 H ARG 4 7.413 -2.911 -6.082
17 HA ARG 4 HA ARG 4 8.267 -3.916 -3.509
18 HB2 ARG 4 HB2 ARG 4 9.960 -3.720 -5.992
19 HB3 ARG 4 HB3 ARG 4 10.131 -4.836 -4.644
20 HG2 ARG 4 HG2 ARG 4 8.146 -6.020 -5.299
21 HG3 ARG 4 HG3 ARG 4 7.813 -4.833 -6.562
22 HD2 ARG 4 HD2 ARG 4 8.883 -6.284 -7.901
23 HD3 ARG 4 HD3 ARG 4 10.341 -5.587 -7.199
24 HE ARG 4 HE ARG 4 10.740 -7.589 -6.187
25 HH11 ARG 4 HH11 ARG 4 7.363 -7.418 -7.015
26 HH12 ARG 4 HH12 ARG 4 7.026 -9.044 -6.523
27 HH21 ARG 4 HH21 ARG 4 10.309 -9.732 -5.537
28 HH22 ARG 4 HH22 ARG 4 8.701 -10.359 -5.682
29 H TYR 5 H TYR 5 9.598 -2.942 -2.102
30 HA TYR 5 HA TYR 5 10.131 -0.188 -2.286
31 HB2 TYR 5 HB2 TYR 5 10.731 -2.363 -0.399
32 HB3 TYR 5 HB3 TYR 5 11.903 -1.051 -0.391
33 HD1 TYR 5 HD1 TYR 5 8.987 -2.197 1.092
34 HD2 TYR 5 HD2 TYR 5 10.719 1.378 -0.432
35 HE1 TYR 5 HE1 TYR 5 7.476 -0.869 2.507
36 HE2 TYR 5 HE2 TYR 5 9.214 2.716 0.981
37 HH TYR 5 HH TYR 5 7.649 2.678 2.556
38 H LEU 6 H LEU 6 12.423 0.695 -1.935
39 HA LEU 6 HA LEU 6 13.903 0.557 -4.208
40 HB2 LEU 6 HB2 LEU 6 14.139 2.054 -2.101
41 HB3 LEU 6 HB3 LEU 6 15.309 0.843 -1.581
42 HG LEU 6 HG LEU 6 16.337 1.348 -3.974
43 HD11 LEU 6 HD11 LEU 6 14.408 3.491 -3.531
44 HD12 LEU 6 HD12 LEU 6 15.233 2.991 -5.008
45 HD13 LEU 6 HD13 LEU 6 16.041 4.066 -3.866
46 HD21 LEU 6 HD21 LEU 6 16.762 3.291 -1.719
47 HD22 LEU 6 HD22 LEU 6 17.932 2.727 -2.911
48 HD23 LEU 6 HD23 LEU 6 17.338 1.625 -1.668
49 H PHE 7 H PHE 7 15.427 -0.725 -5.098
50 HA PHE 7 HA PHE 7 16.694 -2.569 -5.498
51 HB2 PHE 7 HB2 PHE 7 17.065 -2.391 -2.504
52 HB3 PHE 7 HB3 PHE 7 17.949 -3.517 -3.529
53 HD1 PHE 7 HD1 PHE 7 17.908 -0.276 -2.119
54 HD2 PHE 7 HD2 PHE 7 19.282 -2.484 -5.489
55 HE1 PHE 7 HE1 PHE 7 19.590 1.462 -2.568
56 HE2 PHE 7 HE2 PHE 7 20.966 -0.750 -5.943
57 HZ PHE 7 HZ PHE 7 21.122 1.227 -4.481
58 H GLY 8 H GLY 8 13.990 -3.032 -5.441
59 HA2 GLY 8 HA2 GLY 8 13.456 -5.355 -3.785
60 HA3 GLY 8 HA3 GLY 8 12.343 -4.599 -4.917
61 H GLY 9 H GLY 9 15.148 -4.948 -6.573
62 HA2 GLY 9 HA2 GLY 9 15.952 -6.474 -8.097
63 HA3 GLY 9 HA3 GLY 9 15.132 -7.730 -7.180
64 H CYS 10 H CYS 10 13.956 -4.898 -8.993
65 HA CYS 10 HA CYS 10 11.862 -6.518 -10.168
66 HB2 CYS 10 HB2 CYS 10 10.959 -4.461 -11.007
67 HB3 CYS 10 HB3 CYS 10 11.482 -4.173 -9.351
68 H LYS 11 H LYS 11 11.421 -5.868 -12.614
69 HA LYS 11 HA LYS 11 13.946 -6.125 -14.103
70 HB2 LYS 11 HB2 LYS 11 11.405 -7.616 -14.770
71 HB3 LYS 11 HB3 LYS 11 12.968 -7.780 -15.559
72 HG2 LYS 11 HG2 LYS 11 12.467 -8.463 -12.671
73 HG3 LYS 11 HG3 LYS 11 12.393 -9.629 -13.995
74 HD2 LYS 11 HD2 LYS 11 14.723 -9.176 -14.544
75 HD3 LYS 11 HD3 LYS 11 14.802 -7.965 -13.262
76 HE2 LYS 11 HE2 LYS 11 14.357 -9.695 -11.596
77 HE3 LYS 11 HE3 LYS 11 14.250 -10.905 -12.873
78 HZ1 LYS 11 HZ1 LYS 11 16.508 -10.165 -11.508
79 HZ2 LYS 11 HZ2 LYS 11 16.685 -9.438 -13.024
80 HZ3 LYS 11 HZ3 LYS 11 16.445 -11.109 -12.911
81 H THR 12 H THR 12 10.572 -5.132 -14.097
82 HA THR 12 HA THR 12 11.199 -3.229 -16.247
83 HB THR 12 HB THR 12 8.866 -3.572 -17.132
84 HG1 THR 12 HG1 THR 12 8.962 -6.051 -15.750
85 HG21 THR 12 HG21 THR 12 10.686 -4.481 -18.382
86 HG22 THR 12 HG22 THR 12 9.438 -5.724 -18.305
87 HG23 THR 12 HG23 THR 12 10.857 -5.833 -17.264
88 H THR 13 H THR 13 9.583 -1.448 -16.380
89 HA THR 13 HA THR 13 9.288 -0.167 -13.914
90 HB THR 13 HB THR 13 7.509 0.506 -16.237
91 HG1 THR 13 HG1 THR 13 10.149 1.477 -16.131
92 HG21 THR 13 HG21 THR 13 7.149 2.304 -14.967
93 HG22 THR 13 HG22 THR 13 8.843 2.746 -15.187
94 HG23 THR 13 HG23 THR 13 8.358 1.771 -13.800
95 H ALA 14 H ALA 14 7.089 -2.217 -15.722
96 HA ALA 14 HA ALA 14 4.722 -1.639 -14.319
97 HB1 ALA 14 HB1 ALA 14 5.081 -2.986 -16.496
98 HB2 ALA 14 HB2 ALA 14 5.296 -4.363 -15.416
99 HB3 ALA 14 HB3 ALA 14 3.782 -3.461 -15.401
100 H ASP 15 H ASP 15 7.492 -3.543 -13.492
101 HA ASP 15 HA ASP 15 6.302 -5.199 -11.530
102 HB2 ASP 15 HB2 ASP 15 9.162 -4.248 -11.802
103 HB3 ASP 15 HB3 ASP 15 8.625 -5.531 -10.721
104 H CYS 16 H CYS 16 7.430 -1.911 -11.512
105 HA CYS 16 HA CYS 16 6.917 -1.755 -8.616
106 HB2 CYS 16 HB2 CYS 16 8.425 0.326 -10.176
107 HB3 CYS 16 HB3 CYS 16 8.469 -0.000 -8.446
108 H CYS 17 H CYS 17 6.223 0.568 -7.973
109 HA CYS 17 HA CYS 17 3.860 1.187 -9.567
110 HB2 CYS 17 HB2 CYS 17 3.197 2.558 -7.603
111 HB3 CYS 17 HB3 CYS 17 3.495 0.871 -7.194
112 H LYS 18 H LYS 18 3.258 3.617 -9.549
113 HA LYS 18 HA LYS 18 4.953 4.997 -11.228
114 HB2 LYS 18 HB2 LYS 18 3.642 7.025 -10.614
115 HB3 LYS 18 HB3 LYS 18 2.642 5.636 -11.017
116 HG2 LYS 18 HG2 LYS 18 2.624 5.223 -8.459
117 HG3 LYS 18 HG3 LYS 18 3.119 6.914 -8.361
118 HD2 LYS 18 HD2 LYS 18 1.141 7.466 -9.816
119 HD3 LYS 18 HD3 LYS 18 0.612 5.795 -9.605
120 HE2 LYS 18 HE2 LYS 18 0.681 6.187 -7.129
121 HE3 LYS 18 HE3 LYS 18 0.972 7.892 -7.471
122 HZ1 LYS 18 HZ1 LYS 18 -1.342 6.544 -8.686
123 HZ2 LYS 18 HZ2 LYS 18 -1.136 8.177 -8.298
124 HZ3 LYS 18 HZ3 LYS 18 -1.429 7.048 -7.074
125 H HIS 19 H HIS 19 4.709 5.204 -7.701
126 HA HIS 19 HA HIS 19 6.412 7.332 -7.226
127 HB2 HIS 19 HB2 HIS 19 6.181 4.815 -5.563
128 HB3 HIS 19 HB3 HIS 19 6.770 6.379 -5.007
129 HD1 HIS 19 HD1 HIS 19 4.412 5.085 -3.580
130 HD2 HIS 19 HD2 HIS 19 4.002 7.733 -6.755
131 HE1 HIS 19 HE1 HIS 19 2.100 6.048 -3.357
132 H LEU 20 H LEU 20 7.167 4.034 -8.100
133 HA LEU 20 HA LEU 20 10.038 4.617 -7.860
134 HB2 LEU 20 HB2 LEU 20 8.741 1.938 -8.308
135 HB3 LEU 20 HB3 LEU 20 10.420 2.257 -7.877
136 HG LEU 20 HG LEU 20 8.319 3.158 -5.981
137 HD11 LEU 20 HD11 LEU 20 7.524 0.945 -6.575
138 HD12 LEU 20 HD12 LEU 20 8.220 0.932 -4.955
139 HD13 LEU 20 HD13 LEU 20 9.134 0.273 -6.312
140 HD21 LEU 20 HD21 LEU 20 11.154 2.713 -6.027
141 HD22 LEU 20 HD22 LEU 20 10.411 1.759 -4.743
142 HD23 LEU 20 HD23 LEU 20 10.165 3.505 -4.799
143 H GLY 21 H GLY 21 11.405 3.508 -9.588
144 HA2 GLY 21 HA2 GLY 21 10.079 3.447 -12.203
145 HA3 GLY 21 HA3 GLY 21 11.390 4.595 -11.968
146 H CYS 22 H CYS 22 10.545 1.199 -12.164
147 HA CYS 22 HA CYS 22 12.966 -0.020 -11.693
148 HB2 CYS 22 HB2 CYS 22 10.679 -1.056 -12.300
149 HB3 CYS 22 HB3 CYS 22 11.203 -0.888 -13.972
150 H ARG 23 H ARG 23 14.908 0.334 -12.518
151 HA ARG 23 HA ARG 23 15.176 1.579 -15.136
152 HB2 ARG 23 HB2 ARG 23 17.062 1.068 -12.854
153 HB3 ARG 23 HB3 ARG 23 17.669 1.522 -14.441
154 HG2 ARG 23 HG2 ARG 23 16.320 3.574 -14.351
155 HG3 ARG 23 HG3 ARG 23 15.774 3.123 -12.735
156 HD2 ARG 23 HD2 ARG 23 17.521 4.540 -12.246
157 HD3 ARG 23 HD3 ARG 23 18.329 2.974 -12.226
158 HE ARG 23 HE ARG 23 18.670 3.767 -14.772
159 HH11 ARG 23 HH11 ARG 23 19.211 5.359 -11.724
160 HH12 ARG 23 HH12 ARG 23 20.519 6.330 -12.315
161 HH21 ARG 23 HH21 ARG 23 20.389 5.040 -15.562
162 HH22 ARG 23 HH22 ARG 23 21.188 6.149 -14.499
163 H THR 24 H THR 24 16.264 0.685 -16.869
164 HA THR 24 HA THR 24 16.280 -2.203 -16.958
165 HB THR 24 HB THR 24 15.450 -0.800 -18.860
166 HG1 THR 24 HG1 THR 24 17.644 -2.364 -19.727
167 HG21 THR 24 HG21 THR 24 18.313 -0.358 -19.623
168 HG22 THR 24 HG22 THR 24 17.478 0.805 -18.592
169 HG23 THR 24 HG23 THR 24 16.862 0.457 -20.207
170 H ASP 25 H ASP 25 18.542 0.279 -16.360
171 HA ASP 25 HA ASP 25 20.836 -1.348 -17.128
172 HB2 ASP 25 HB2 ASP 25 20.541 1.265 -17.376
173 HB3 ASP 25 HB3 ASP 25 21.114 1.268 -15.709
174 H LEU 26 H LEU 26 19.292 -0.036 -14.238
175 HA LEU 26 HA LEU 26 21.239 -1.375 -12.525
176 HB2 LEU 26 HB2 LEU 26 19.021 0.583 -12.033
177 HB3 LEU 26 HB3 LEU 26 19.776 -0.297 -10.706
178 HG LEU 26 HG LEU 26 21.977 0.712 -11.823
179 HD11 LEU 26 HD11 LEU 26 19.900 2.021 -13.225
180 HD12 LEU 26 HD12 LEU 26 21.637 2.313 -13.313
181 HD13 LEU 26 HD13 LEU 26 20.651 3.205 -12.155
182 HD21 LEU 26 HD21 LEU 26 20.394 2.604 -10.157
183 HD22 LEU 26 HD22 LEU 26 22.080 2.106 -10.010
184 HD23 LEU 26 HD23 LEU 26 20.790 1.018 -9.493
185 H TYR 27 H TYR 27 17.903 -1.607 -13.538
186 HA TYR 27 HA TYR 27 16.333 -3.233 -13.282
187 HB2 TYR 27 HB2 TYR 27 18.892 -4.654 -12.887
188 HB3 TYR 27 HB3 TYR 27 17.470 -5.470 -12.246
189 HD1 TYR 27 HD1 TYR 27 17.650 -3.334 -15.276
190 HD2 TYR 27 HD2 TYR 27 17.244 -7.276 -13.731
191 HE1 TYR 27 HE1 TYR 27 17.109 -4.155 -17.531
192 HE2 TYR 27 HE2 TYR 27 16.703 -8.109 -15.981
193 HH TYR 27 HH TYR 27 16.947 -6.055 -18.809
194 H TYR 28 H TYR 28 16.110 -1.467 -11.382
195 HA TYR 28 HA TYR 28 15.164 -2.971 -9.129
196 HB2 TYR 28 HB2 TYR 28 16.589 -2.254 -7.460
197 HB3 TYR 28 HB3 TYR 28 17.717 -2.435 -8.799
198 HD1 TYR 28 HD1 TYR 28 17.644 -0.124 -10.352
199 HD2 TYR 28 HD2 TYR 28 17.032 -0.417 -6.152
200 HE1 TYR 28 HE1 TYR 28 18.334 2.222 -10.094
201 HE2 TYR 28 HE2 TYR 28 17.719 1.929 -5.882
202 HH TYR 28 HH TYR 28 17.884 3.960 -7.181
203 H CYS 29 H CYS 29 13.703 -1.818 -7.851
204 HA CYS 29 HA CYS 29 12.369 0.318 -9.150
205 HB2 CYS 29 HB2 CYS 29 12.066 -0.704 -6.319
206 HB3 CYS 29 HB3 CYS 29 10.937 0.365 -7.144
207 H ALA 30 H ALA 30 13.018 2.356 -9.224
208 HA ALA 30 HA ALA 30 14.729 3.407 -7.093
209 HB1 ALA 30 HB1 ALA 30 14.850 5.379 -8.802
210 HB2 ALA 30 HB2 ALA 30 15.758 3.896 -9.092
211 HB3 ALA 30 HB3 ALA 30 14.235 4.175 -9.933
212 H TRP 31 H TRP 31 13.464 4.074 -5.441
213 HA TRP 31 HA TRP 31 10.909 5.244 -5.726
214 HB2 TRP 31 HB2 TRP 31 11.671 4.145 -3.652
215 HB3 TRP 31 HB3 TRP 31 12.837 5.443 -3.401
216 HD1 TRP 31 HD1 TRP 31 11.668 7.980 -3.072
217 HE1 TRP 31 HE1 TRP 31 9.531 8.580 -1.770
218 HE3 TRP 31 HE3 TRP 31 9.480 3.362 -2.929
219 HZ2 TRP 31 HZ2 TRP 31 7.222 7.271 -0.810
220 HZ3 TRP 31 HZ3 TRP 31 7.307 3.121 -1.799
221 HH2 TRP 31 HH2 TRP 31 6.204 5.036 -0.762
222 H ASP 32 H ASP 32 10.540 7.123 -6.696
223 HA ASP 32 HA ASP 32 11.977 9.485 -5.811
224 HB2 ASP 32 HB2 ASP 32 13.213 8.517 -7.816
225 HB3 ASP 32 HB3 ASP 32 11.788 8.919 -8.769
226 H GLY 33 H GLY 33 9.666 8.360 -8.290
227 HA2 GLY 33 HA2 GLY 33 7.376 8.915 -8.357
228 HA3 GLY 33 HA3 GLY 33 7.678 10.208 -7.206
229 H THR 34 H THR 34 10.039 11.046 -8.910
230 HA THR 34 HA THR 34 8.479 12.429 -10.995
231 HB THR 34 HB THR 34 10.276 14.231 -10.794
232 HG1 THR 34 HG1 THR 34 11.398 14.257 -8.814
233 HG21 THR 34 HG21 THR 34 8.500 13.794 -8.390
234 HG22 THR 34 HG22 THR 34 7.968 14.468 -9.931
235 HG23 THR 34 HG23 THR 34 9.152 15.333 -8.950
236 H PHE 35 H PHE 35 9.398 12.703 -13.023
237 HA PHE 35 HA PHE 35 12.057 11.671 -13.549
238 HB2 PHE 35 HB2 PHE 35 9.557 10.264 -14.348
239 HB3 PHE 35 HB3 PHE 35 10.874 10.311 -15.515
240 HD1 PHE 35 HD1 PHE 35 13.269 9.901 -14.166
241 HD2 PHE 35 HD2 PHE 35 9.449 8.288 -13.208
242 HE1 PHE 35 HE1 PHE 35 14.357 8.016 -13.016
243 HE2 PHE 35 HE2 PHE 35 10.529 6.402 -12.057
244 HZ PHE 35 HZ PHE 35 12.987 6.264 -11.959
Start of MODEL 15
1 H1 SER 1 H SER 1 0.512 1.455 -0.740
2 HA SER 1 HA SER 1 2.948 0.596 -1.551
3 HB2 SER 1 HB2 SER 1 2.355 0.847 0.810
4 HB3 SER 1 HB3 SER 1 1.327 -0.583 0.721
5 HG SER 1 HG SER 1 3.052 -1.847 0.702
6 H GLU 2 H GLU 2 1.665 -0.363 -3.634
7 HA GLU 2 HA GLU 2 1.542 -3.282 -3.275
8 HB2 GLU 2 HB2 GLU 2 0.301 -3.262 -5.462
9 HB3 GLU 2 HB3 GLU 2 -0.536 -2.480 -4.128
10 HG2 GLU 2 HG2 GLU 2 -0.250 -0.371 -5.005
11 HG3 GLU 2 HG3 GLU 2 1.140 -0.849 -5.977
12 H CYS 3 H CYS 3 3.911 -1.455 -3.724
13 HA CYS 3 HA CYS 3 4.969 -2.855 -6.091
14 HB2 CYS 3 HB2 CYS 3 6.486 -0.776 -6.303
15 HB3 CYS 3 HB3 CYS 3 4.815 -0.643 -6.843
16 H ARG 4 H ARG 4 7.413 -2.919 -6.079
17 HA ARG 4 HA ARG 4 8.271 -3.928 -3.509
18 HB2 ARG 4 HB2 ARG 4 9.958 -3.733 -5.998
19 HB3 ARG 4 HB3 ARG 4 10.131 -4.850 -4.651
20 HG2 ARG 4 HG2 ARG 4 8.142 -6.030 -5.302
21 HG3 ARG 4 HG3 ARG 4 7.809 -4.843 -6.564
22 HD2 ARG 4 HD2 ARG 4 8.878 -6.286 -7.908
23 HD3 ARG 4 HD3 ARG 4 10.340 -5.606 -7.197
24 HE ARG 4 HE ARG 4 10.691 -7.588 -6.105
25 HH11 ARG 4 HH11 ARG 4 7.415 -7.493 -7.281
26 HH12 ARG 4 HH12 ARG 4 7.086 -9.146 -6.880
27 HH21 ARG 4 HH21 ARG 4 10.269 -9.766 -5.574
28 HH22 ARG 4 HH22 ARG 4 8.708 -10.437 -5.908
29 H TYR 5 H TYR 5 9.584 -2.944 -2.099
30 HA TYR 5 HA TYR 5 10.127 -0.196 -2.287
31 HB2 TYR 5 HB2 TYR 5 10.733 -2.372 -0.401
32 HB3 TYR 5 HB3 TYR 5 11.900 -1.055 -0.392
33 HD1 TYR 5 HD1 TYR 5 8.988 -2.211 1.091
34 HD2 TYR 5 HD2 TYR 5 10.712 1.370 -0.429
35 HE1 TYR 5 HE1 TYR 5 7.475 -0.888 2.508
36 HE2 TYR 5 HE2 TYR 5 9.204 2.703 0.985
37 HH TYR 5 HH TYR 5 7.452 2.654 2.366
38 H LEU 6 H LEU 6 12.419 0.688 -1.940
39 HA LEU 6 HA LEU 6 13.895 0.548 -4.213
40 HB2 LEU 6 HB2 LEU 6 14.135 2.055 -2.121
41 HB3 LEU 6 HB3 LEU 6 15.295 0.842 -1.583
42 HG LEU 6 HG LEU 6 16.349 1.318 -3.965
43 HD11 LEU 6 HD11 LEU 6 14.424 3.481 -3.566
44 HD12 LEU 6 HD12 LEU 6 15.236 2.937 -5.033
45 HD13 LEU 6 HD13 LEU 6 16.062 4.032 -3.924
46 HD21 LEU 6 HD21 LEU 6 16.761 3.326 -1.769
47 HD22 LEU 6 HD22 LEU 6 17.946 2.673 -2.901
48 HD23 LEU 6 HD23 LEU 6 17.292 1.651 -1.621
49 H PHE 7 H PHE 7 15.423 -0.732 -5.102
50 HA PHE 7 HA PHE 7 16.694 -2.577 -5.498
51 HB2 PHE 7 HB2 PHE 7 17.058 -2.407 -2.503
52 HB3 PHE 7 HB3 PHE 7 17.951 -3.519 -3.535
53 HD1 PHE 7 HD1 PHE 7 17.934 -0.323 -2.061
54 HD2 PHE 7 HD2 PHE 7 19.234 -2.430 -5.524
55 HE1 PHE 7 HE1 PHE 7 19.605 1.429 -2.496
56 HE2 PHE 7 HE2 PHE 7 20.907 -0.680 -5.964
57 HZ PHE 7 HZ PHE 7 21.094 1.252 -4.450
58 H GLY 8 H GLY 8 13.982 -3.033 -5.433
59 HA2 GLY 8 HA2 GLY 8 13.451 -5.360 -3.783
60 HA3 GLY 8 HA3 GLY 8 12.337 -4.604 -4.914
61 H GLY 9 H GLY 9 15.144 -4.952 -6.570
62 HA2 GLY 9 HA2 GLY 9 15.947 -6.477 -8.095
63 HA3 GLY 9 HA3 GLY 9 15.128 -7.733 -7.178
64 H CYS 10 H CYS 10 13.952 -4.900 -8.991
65 HA CYS 10 HA CYS 10 11.858 -6.520 -10.166
66 HB2 CYS 10 HB2 CYS 10 10.956 -4.462 -11.005
67 HB3 CYS 10 HB3 CYS 10 11.480 -4.176 -9.349
68 H LYS 11 H LYS 11 11.419 -5.858 -12.613
69 HA LYS 11 HA LYS 11 13.944 -6.120 -14.102
70 HB2 LYS 11 HB2 LYS 11 11.401 -7.699 -14.522
71 HB3 LYS 11 HB3 LYS 11 12.744 -7.677 -15.658
72 HG2 LYS 11 HG2 LYS 11 14.074 -8.361 -13.443
73 HG3 LYS 11 HG3 LYS 11 12.488 -9.026 -13.043
74 HD2 LYS 11 HD2 LYS 11 14.044 -9.598 -15.567
75 HD3 LYS 11 HD3 LYS 11 13.925 -10.672 -14.172
76 HE2 LYS 11 HE2 LYS 11 11.411 -10.588 -14.510
77 HE3 LYS 11 HE3 LYS 11 11.743 -9.824 -16.062
78 HZ1 LYS 11 HZ1 LYS 11 13.118 -11.787 -16.621
79 HZ2 LYS 11 HZ2 LYS 11 11.483 -12.157 -16.399
80 HZ3 LYS 11 HZ3 LYS 11 12.605 -12.526 -15.188
81 H THR 12 H THR 12 10.569 -5.131 -14.097
82 HA THR 12 HA THR 12 11.194 -3.228 -16.249
83 HB THR 12 HB THR 12 8.912 -3.570 -17.185
84 HG1 THR 12 HG1 THR 12 8.910 -5.827 -15.438
85 HG21 THR 12 HG21 THR 12 9.431 -5.592 -18.403
86 HG22 THR 12 HG22 THR 12 10.579 -6.087 -17.158
87 HG23 THR 12 HG23 THR 12 10.914 -4.671 -18.154
88 H THR 13 H THR 13 9.580 -1.446 -16.380
89 HA THR 13 HA THR 13 9.289 -0.163 -13.915
90 HB THR 13 HB THR 13 7.479 0.539 -16.195
91 HG1 THR 13 HG1 THR 13 10.295 0.579 -16.182
92 HG21 THR 13 HG21 THR 13 7.383 2.535 -15.183
93 HG22 THR 13 HG22 THR 13 9.135 2.606 -14.988
94 HG23 THR 13 HG23 THR 13 8.149 1.750 -13.803
95 H ALA 14 H ALA 14 7.086 -2.209 -15.722
96 HA ALA 14 HA ALA 14 4.722 -1.626 -14.314
97 HB1 ALA 14 HB1 ALA 14 4.902 -2.880 -16.480
98 HB2 ALA 14 HB2 ALA 14 5.417 -4.285 -15.544
99 HB3 ALA 14 HB3 ALA 14 3.814 -3.595 -15.290
100 H ASP 15 H ASP 15 7.490 -3.536 -13.494
101 HA ASP 15 HA ASP 15 6.299 -5.197 -11.538
102 HB2 ASP 15 HB2 ASP 15 9.159 -4.245 -11.803
103 HB3 ASP 15 HB3 ASP 15 8.620 -5.535 -10.732
104 H CYS 16 H CYS 16 7.428 -1.909 -11.510
105 HA CYS 16 HA CYS 16 6.916 -1.763 -8.613
106 HB2 CYS 16 HB2 CYS 16 8.424 0.324 -10.169
107 HB3 CYS 16 HB3 CYS 16 8.467 -0.006 -8.439
108 H CYS 17 H CYS 17 6.223 0.559 -7.964
109 HA CYS 17 HA CYS 17 3.857 1.182 -9.552
110 HB2 CYS 17 HB2 CYS 17 3.197 2.549 -7.585
111 HB3 CYS 17 HB3 CYS 17 3.497 0.862 -7.179
112 H LYS 18 H LYS 18 3.255 3.612 -9.532
113 HA LYS 18 HA LYS 18 4.948 4.994 -11.211
114 HB2 LYS 18 HB2 LYS 18 3.637 7.020 -10.600
115 HB3 LYS 18 HB3 LYS 18 2.634 5.628 -10.992
116 HG2 LYS 18 HG2 LYS 18 2.633 5.227 -8.430
117 HG3 LYS 18 HG3 LYS 18 3.122 6.921 -8.345
118 HD2 LYS 18 HD2 LYS 18 1.108 7.297 -9.956
119 HD3 LYS 18 HD3 LYS 18 0.569 5.729 -9.350
120 HE2 LYS 18 HE2 LYS 18 0.237 6.518 -7.216
121 HE3 LYS 18 HE3 LYS 18 1.419 7.815 -7.397
122 HZ1 LYS 18 HZ1 LYS 18 -0.108 9.028 -8.762
123 HZ2 LYS 18 HZ2 LYS 18 -0.900 8.603 -7.329
124 HZ3 LYS 18 HZ3 LYS 18 -1.221 7.752 -8.756
125 H HIS 19 H HIS 19 4.707 5.199 -7.684
126 HA HIS 19 HA HIS 19 6.411 7.325 -7.209
127 HB2 HIS 19 HB2 HIS 19 6.181 4.807 -5.547
128 HB3 HIS 19 HB3 HIS 19 6.772 6.370 -4.991
129 HD1 HIS 19 HD1 HIS 19 4.413 5.074 -3.564
130 HD2 HIS 19 HD2 HIS 19 4.004 7.731 -6.733
131 HE1 HIS 19 HE1 HIS 19 2.102 6.038 -3.338
132 H LEU 20 H LEU 20 7.165 4.029 -8.088
133 HA LEU 20 HA LEU 20 10.036 4.611 -7.848
134 HB2 LEU 20 HB2 LEU 20 8.738 1.932 -8.298
135 HB3 LEU 20 HB3 LEU 20 10.417 2.250 -7.869
136 HG LEU 20 HG LEU 20 8.318 3.148 -5.970
137 HD11 LEU 20 HD11 LEU 20 8.218 0.923 -4.946
138 HD12 LEU 20 HD12 LEU 20 9.136 0.267 -6.300
139 HD13 LEU 20 HD13 LEU 20 7.526 0.934 -6.569
140 HD21 LEU 20 HD21 LEU 20 10.170 3.504 -4.798
141 HD22 LEU 20 HD22 LEU 20 11.155 2.697 -6.018
142 HD23 LEU 20 HD23 LEU 20 10.406 1.758 -4.726
143 H GLY 21 H GLY 21 11.401 3.503 -9.579
144 HA2 GLY 21 HA2 GLY 21 10.074 3.444 -12.193
145 HA3 GLY 21 HA3 GLY 21 11.383 4.593 -11.957
146 H CYS 22 H CYS 22 10.541 1.196 -12.157
147 HA CYS 22 HA CYS 22 12.963 -0.020 -11.689
148 HB2 CYS 22 HB2 CYS 22 10.677 -1.058 -12.293
149 HB3 CYS 22 HB3 CYS 22 11.200 -0.888 -13.966
150 H ARG 23 H ARG 23 14.904 0.336 -12.516
151 HA ARG 23 HA ARG 23 15.167 1.581 -15.135
152 HB2 ARG 23 HB2 ARG 23 17.026 1.112 -12.828
153 HB3 ARG 23 HB3 ARG 23 17.674 1.492 -14.417
154 HG2 ARG 23 HG2 ARG 23 16.191 3.535 -14.396
155 HG3 ARG 23 HG3 ARG 23 15.895 3.185 -12.692
156 HD2 ARG 23 HD2 ARG 23 17.663 4.764 -12.770
157 HD3 ARG 23 HD3 ARG 23 18.386 3.209 -12.363
158 HE ARG 23 HE ARG 23 18.653 3.288 -15.037
159 HH11 ARG 23 HH11 ARG 23 19.415 5.583 -12.532
160 HH12 ARG 23 HH12 ARG 23 20.744 6.282 -13.397
161 HH21 ARG 23 HH21 ARG 23 20.400 4.199 -16.185
162 HH22 ARG 23 HH22 ARG 23 21.303 5.495 -15.475
163 H THR 24 H THR 24 16.256 0.687 -16.866
164 HA THR 24 HA THR 24 16.285 -2.202 -16.948
165 HB THR 24 HB THR 24 15.444 -0.813 -18.854
166 HG1 THR 24 HG1 THR 24 16.338 -2.200 -20.385
167 HG21 THR 24 HG21 THR 24 18.367 -0.266 -19.366
168 HG22 THR 24 HG22 THR 24 17.236 0.917 -18.708
169 HG23 THR 24 HG23 THR 24 16.996 0.274 -20.333
170 H ASP 25 H ASP 25 18.536 0.289 -16.350
171 HA ASP 25 HA ASP 25 20.837 -1.326 -17.123
172 HB2 ASP 25 HB2 ASP 25 20.905 1.060 -17.643
173 HB3 ASP 25 HB3 ASP 25 20.673 1.455 -15.942
174 H LEU 26 H LEU 26 19.285 -0.031 -14.230
175 HA LEU 26 HA LEU 26 21.241 -1.364 -12.522
176 HB2 LEU 26 HB2 LEU 26 19.019 0.587 -12.022
177 HB3 LEU 26 HB3 LEU 26 19.781 -0.292 -10.698
178 HG LEU 26 HG LEU 26 21.977 0.723 -11.814
179 HD11 LEU 26 HD11 LEU 26 21.705 2.464 -13.175
180 HD12 LEU 26 HD12 LEU 26 20.439 3.162 -12.164
181 HD13 LEU 26 HD13 LEU 26 20.034 1.926 -13.356
182 HD21 LEU 26 HD21 LEU 26 22.084 2.076 -9.987
183 HD22 LEU 26 HD22 LEU 26 20.737 1.049 -9.493
184 HD23 LEU 26 HD23 LEU 26 20.425 2.647 -10.172
185 H TYR 27 H TYR 27 17.906 -1.606 -13.537
186 HA TYR 27 HA TYR 27 16.339 -3.234 -13.280
187 HB2 TYR 27 HB2 TYR 27 18.901 -4.649 -12.880
188 HB3 TYR 27 HB3 TYR 27 17.480 -5.468 -12.243
189 HD1 TYR 27 HD1 TYR 27 17.657 -3.329 -15.272
190 HD2 TYR 27 HD2 TYR 27 17.269 -7.276 -13.731
191 HE1 TYR 27 HE1 TYR 27 17.124 -4.150 -17.529
192 HE2 TYR 27 HE2 TYR 27 16.738 -8.109 -15.984
193 HH TYR 27 HH TYR 27 15.676 -6.899 -18.189
194 H TYR 28 H TYR 28 16.109 -1.469 -11.382
195 HA TYR 28 HA TYR 28 15.163 -2.973 -9.130
196 HB2 TYR 28 HB2 TYR 28 16.586 -2.257 -7.459
197 HB3 TYR 28 HB3 TYR 28 17.716 -2.437 -8.796
198 HD1 TYR 28 HD1 TYR 28 17.642 -0.124 -10.349
199 HD2 TYR 28 HD2 TYR 28 17.032 -0.421 -6.149
200 HE1 TYR 28 HE1 TYR 28 18.331 2.223 -10.090
201 HE2 TYR 28 HE2 TYR 28 17.717 1.925 -5.878
202 HH TYR 28 HH TYR 28 18.163 3.850 -6.961
203 H CYS 29 H CYS 29 13.703 -1.819 -7.852
204 HA CYS 29 HA CYS 29 12.368 0.315 -9.152
205 HB2 CYS 29 HB2 CYS 29 12.067 -0.704 -6.319
206 HB3 CYS 29 HB3 CYS 29 10.936 0.364 -7.145
207 H ALA 30 H ALA 30 13.014 2.353 -9.230
208 HA ALA 30 HA ALA 30 14.730 3.407 -7.104
209 HB1 ALA 30 HB1 ALA 30 14.286 4.080 -9.957
210 HB2 ALA 30 HB2 ALA 30 14.746 5.392 -8.870
211 HB3 ALA 30 HB3 ALA 30 15.786 3.976 -9.034
212 H TRP 31 H TRP 31 13.468 4.071 -5.447
213 HA TRP 31 HA TRP 31 10.910 5.238 -5.724
214 HB2 TRP 31 HB2 TRP 31 11.681 4.142 -3.653
215 HB3 TRP 31 HB3 TRP 31 12.845 5.441 -3.406
216 HD1 TRP 31 HD1 TRP 31 11.675 7.975 -3.071
217 HE1 TRP 31 HE1 TRP 31 9.539 8.573 -1.764
218 HE3 TRP 31 HE3 TRP 31 9.491 3.355 -2.926
219 HZ2 TRP 31 HZ2 TRP 31 7.235 7.260 -0.799
220 HZ3 TRP 31 HZ3 TRP 31 7.321 3.111 -1.792
221 HH2 TRP 31 HH2 TRP 31 6.218 5.024 -0.750
222 H ASP 32 H ASP 32 10.541 7.114 -6.703
223 HA ASP 32 HA ASP 32 11.968 9.482 -5.816
224 HB2 ASP 32 HB2 ASP 32 13.211 8.502 -7.820
225 HB3 ASP 32 HB3 ASP 32 11.794 8.926 -8.775
226 H GLY 33 H GLY 33 9.676 8.344 -8.306
227 HA2 GLY 33 HA2 GLY 33 7.383 8.891 -8.387
228 HA3 GLY 33 HA3 GLY 33 7.675 10.188 -7.239
229 H THR 34 H THR 34 10.044 11.029 -8.931
230 HA THR 34 HA THR 34 8.485 12.430 -11.005
231 HB THR 34 HB THR 34 10.338 14.183 -10.836
232 HG1 THR 34 HG1 THR 34 10.736 12.986 -8.285
233 HG21 THR 34 HG21 THR 34 8.457 13.730 -8.517
234 HG22 THR 34 HG22 THR 34 8.120 14.632 -9.994
235 HG23 THR 34 HG23 THR 34 9.304 15.243 -8.839
236 H PHE 35 H PHE 35 8.988 11.922 -13.024
237 HA PHE 35 HA PHE 35 11.765 11.273 -13.693
238 HB2 PHE 35 HB2 PHE 35 9.356 9.585 -14.382
239 HB3 PHE 35 HB3 PHE 35 10.919 9.415 -15.175
240 HD1 PHE 35 HD1 PHE 35 12.852 9.566 -13.086
241 HD2 PHE 35 HD2 PHE 35 8.989 7.782 -13.016
242 HE1 PHE 35 HE1 PHE 35 13.592 8.044 -11.301
243 HE2 PHE 35 HE2 PHE 35 9.722 6.257 -11.229
244 HZ PHE 35 HZ PHE 35 12.027 6.386 -10.371
Start of MODEL 16
1 H1 SER 1 H SER 1 -0.933 1.237 -2.818
2 HA SER 1 HA SER 1 0.218 -0.156 -5.089
3 HB2 SER 1 HB2 SER 1 1.596 1.925 -3.396
4 HB3 SER 1 HB3 SER 1 1.909 1.503 -5.079
5 HG SER 1 HG SER 1 0.569 3.483 -4.490
6 H GLU 2 H GLU 2 0.891 -2.166 -4.604
7 HA GLU 2 HA GLU 2 2.436 -2.587 -2.148
8 HB2 GLU 2 HB2 GLU 2 0.417 -4.059 -2.968
9 HB3 GLU 2 HB3 GLU 2 1.639 -4.809 -3.987
10 HG2 GLU 2 HG2 GLU 2 2.803 -5.669 -2.188
11 HG3 GLU 2 HG3 GLU 2 2.115 -4.506 -1.055
12 H CYS 3 H CYS 3 3.370 -1.315 -4.728
13 HA CYS 3 HA CYS 3 5.052 -2.916 -6.205
14 HB2 CYS 3 HB2 CYS 3 6.471 -0.812 -6.454
15 HB3 CYS 3 HB3 CYS 3 4.776 -0.676 -6.910
16 H ARG 4 H ARG 4 7.421 -3.099 -6.141
17 HA ARG 4 HA ARG 4 8.281 -3.994 -3.549
18 HB2 ARG 4 HB2 ARG 4 10.023 -3.794 -5.996
19 HB3 ARG 4 HB3 ARG 4 10.159 -4.914 -4.646
20 HG2 ARG 4 HG2 ARG 4 8.169 -6.079 -5.359
21 HG3 ARG 4 HG3 ARG 4 7.917 -4.909 -6.656
22 HD2 ARG 4 HD2 ARG 4 9.014 -6.433 -7.897
23 HD3 ARG 4 HD3 ARG 4 10.445 -5.687 -7.188
24 HE ARG 4 HE ARG 4 10.851 -7.655 -6.122
25 HH11 ARG 4 HH11 ARG 4 7.462 -7.510 -6.903
26 HH12 ARG 4 HH12 ARG 4 7.126 -9.107 -6.320
27 HH21 ARG 4 HH21 ARG 4 10.421 -9.758 -5.352
28 HH22 ARG 4 HH22 ARG 4 8.810 -10.385 -5.438
29 H TYR 5 H TYR 5 9.565 -2.980 -2.131
30 HA TYR 5 HA TYR 5 10.061 -0.221 -2.340
31 HB2 TYR 5 HB2 TYR 5 10.660 -2.364 -0.417
32 HB3 TYR 5 HB3 TYR 5 11.815 -1.036 -0.406
33 HD1 TYR 5 HD1 TYR 5 8.887 -2.200 1.041
34 HD2 TYR 5 HD2 TYR 5 10.609 1.377 -0.490
35 HE1 TYR 5 HE1 TYR 5 7.337 -0.873 2.414
36 HE2 TYR 5 HE2 TYR 5 9.065 2.714 0.881
37 HH TYR 5 HH TYR 5 7.716 2.486 2.886
38 H LEU 6 H LEU 6 12.336 0.699 -1.958
39 HA LEU 6 HA LEU 6 13.854 0.581 -4.198
40 HB2 LEU 6 HB2 LEU 6 14.054 2.065 -2.082
41 HB3 LEU 6 HB3 LEU 6 15.218 0.854 -1.547
42 HG LEU 6 HG LEU 6 16.246 1.394 -3.958
43 HD11 LEU 6 HD11 LEU 6 15.118 3.095 -4.887
44 HD12 LEU 6 HD12 LEU 6 16.052 4.094 -3.774
45 HD13 LEU 6 HD13 LEU 6 14.412 3.602 -3.353
46 HD21 LEU 6 HD21 LEU 6 17.187 1.585 -1.560
47 HD22 LEU 6 HD22 LEU 6 16.796 3.298 -1.713
48 HD23 LEU 6 HD23 LEU 6 17.924 2.546 -2.842
49 H PHE 7 H PHE 7 15.391 -0.689 -5.081
50 HA PHE 7 HA PHE 7 16.670 -2.527 -5.480
51 HB2 PHE 7 HB2 PHE 7 17.044 -2.211 -2.509
52 HB3 PHE 7 HB3 PHE 7 17.825 -3.513 -3.399
53 HD1 PHE 7 HD1 PHE 7 17.914 -0.033 -2.526
54 HD2 PHE 7 HD2 PHE 7 19.406 -2.936 -5.258
55 HE1 PHE 7 HE1 PHE 7 19.745 1.491 -3.141
56 HE2 PHE 7 HE2 PHE 7 21.240 -1.417 -5.877
57 HZ PHE 7 HZ PHE 7 21.411 0.801 -4.818
58 H GLY 8 H GLY 8 13.979 -3.017 -5.461
59 HA2 GLY 8 HA2 GLY 8 13.462 -5.360 -3.816
60 HA3 GLY 8 HA3 GLY 8 12.334 -4.590 -4.922
61 H GLY 9 H GLY 9 15.234 -4.978 -6.498
62 HA2 GLY 9 HA2 GLY 9 15.995 -6.449 -8.090
63 HA3 GLY 9 HA3 GLY 9 15.182 -7.719 -7.189
64 H CYS 10 H CYS 10 14.008 -4.866 -8.974
65 HA CYS 10 HA CYS 10 11.902 -6.465 -10.154
66 HB2 CYS 10 HB2 CYS 10 10.996 -4.410 -10.955
67 HB3 CYS 10 HB3 CYS 10 11.582 -4.100 -9.324
68 H LYS 11 H LYS 11 11.459 -5.870 -12.590
69 HA LYS 11 HA LYS 11 13.980 -6.102 -14.090
70 HB2 LYS 11 HB2 LYS 11 11.479 -7.762 -14.362
71 HB3 LYS 11 HB3 LYS 11 12.666 -7.641 -15.654
72 HG2 LYS 11 HG2 LYS 11 14.387 -8.473 -14.053
73 HG3 LYS 11 HG3 LYS 11 13.090 -8.750 -12.889
74 HD2 LYS 11 HD2 LYS 11 13.282 -10.828 -13.873
75 HD3 LYS 11 HD3 LYS 11 12.004 -10.094 -14.845
76 HE2 LYS 11 HE2 LYS 11 13.871 -9.348 -16.418
77 HE3 LYS 11 HE3 LYS 11 14.904 -10.475 -15.540
78 HZ1 LYS 11 HZ1 LYS 11 14.159 -11.967 -16.998
79 HZ2 LYS 11 HZ2 LYS 11 12.858 -11.005 -17.490
80 HZ3 LYS 11 HZ3 LYS 11 12.722 -11.967 -16.105
81 H THR 12 H THR 12 10.589 -5.163 -14.089
82 HA THR 12 HA THR 12 11.186 -3.262 -16.249
83 HB THR 12 HB THR 12 8.833 -3.649 -17.105
84 HG1 THR 12 HG1 THR 12 7.850 -4.834 -15.547
85 HG21 THR 12 HG21 THR 12 11.105 -4.677 -17.960
86 HG22 THR 12 HG22 THR 12 9.564 -5.199 -18.639
87 HG23 THR 12 HG23 THR 12 10.370 -6.186 -17.421
88 H THR 13 H THR 13 9.573 -1.492 -16.384
89 HA THR 13 HA THR 13 9.254 -0.200 -13.934
90 HB THR 13 HB THR 13 7.560 0.352 -16.371
91 HG1 THR 13 HG1 THR 13 9.471 0.597 -17.290
92 HG21 THR 13 HG21 THR 13 6.992 2.276 -15.371
93 HG22 THR 13 HG22 THR 13 8.645 2.583 -14.837
94 HG23 THR 13 HG23 THR 13 7.590 1.539 -13.885
95 H ALA 14 H ALA 14 7.072 -2.297 -15.711
96 HA ALA 14 HA ALA 14 4.708 -1.748 -14.299
97 HB1 ALA 14 HB1 ALA 14 5.077 -3.119 -16.459
98 HB2 ALA 14 HB2 ALA 14 5.328 -4.477 -15.362
99 HB3 ALA 14 HB3 ALA 14 3.795 -3.604 -15.349
100 H ASP 15 H ASP 15 7.510 -3.616 -13.474
101 HA ASP 15 HA ASP 15 6.353 -5.248 -11.472
102 HB2 ASP 15 HB2 ASP 15 9.204 -4.284 -11.787
103 HB3 ASP 15 HB3 ASP 15 8.685 -5.560 -10.689
104 H CYS 16 H CYS 16 7.461 -1.953 -11.519
105 HA CYS 16 HA CYS 16 6.983 -1.756 -8.619
106 HB2 CYS 16 HB2 CYS 16 8.476 0.285 -10.254
107 HB3 CYS 16 HB3 CYS 16 8.508 0.043 -8.511
108 H CYS 17 H CYS 17 6.282 0.570 -8.002
109 HA CYS 17 HA CYS 17 3.908 1.163 -9.596
110 HB2 CYS 17 HB2 CYS 17 3.236 2.534 -7.627
111 HB3 CYS 17 HB3 CYS 17 3.523 0.842 -7.232
112 H LYS 18 H LYS 18 3.284 3.582 -9.589
113 HA LYS 18 HA LYS 18 4.982 4.980 -11.250
114 HB2 LYS 18 HB2 LYS 18 3.647 6.999 -10.634
115 HB3 LYS 18 HB3 LYS 18 2.669 5.604 -11.072
116 HG2 LYS 18 HG2 LYS 18 2.556 5.145 -8.548
117 HG3 LYS 18 HG3 LYS 18 3.119 6.809 -8.369
118 HD2 LYS 18 HD2 LYS 18 1.190 7.436 -9.929
119 HD3 LYS 18 HD3 LYS 18 0.571 5.814 -9.614
120 HE2 LYS 18 HE2 LYS 18 1.217 7.846 -7.481
121 HE3 LYS 18 HE3 LYS 18 -0.395 7.563 -8.136
122 HZ1 LYS 18 HZ1 LYS 18 -0.636 5.954 -6.656
123 HZ2 LYS 18 HZ2 LYS 18 0.950 6.151 -6.105
124 HZ3 LYS 18 HZ3 LYS 18 0.625 5.092 -7.384
125 H HIS 19 H HIS 19 4.716 5.163 -7.726
126 HA HIS 19 HA HIS 19 6.379 7.314 -7.224
127 HB2 HIS 19 HB2 HIS 19 6.184 4.778 -5.587
128 HB3 HIS 19 HB3 HIS 19 6.748 6.344 -5.013
129 HD1 HIS 19 HD1 HIS 19 4.401 4.991 -3.614
130 HD2 HIS 19 HD2 HIS 19 3.970 7.686 -6.747
131 HE1 HIS 19 HE1 HIS 19 2.075 5.921 -3.387
132 H LEU 20 H LEU 20 7.197 4.038 -8.124
133 HA LEU 20 HA LEU 20 10.056 4.687 -7.892
134 HB2 LEU 20 HB2 LEU 20 8.834 1.968 -8.296
135 HB3 LEU 20 HB3 LEU 20 10.500 2.343 -7.862
136 HG LEU 20 HG LEU 20 8.412 3.252 -5.974
137 HD11 LEU 20 HD11 LEU 20 7.601 1.023 -6.651
138 HD12 LEU 20 HD12 LEU 20 8.134 1.076 -4.972
139 HD13 LEU 20 HD13 LEU 20 9.165 0.342 -6.200
140 HD21 LEU 20 HD21 LEU 20 11.224 2.753 -6.025
141 HD22 LEU 20 HD22 LEU 20 10.480 1.760 -4.771
142 HD23 LEU 20 HD23 LEU 20 10.251 3.509 -4.762
143 H GLY 21 H GLY 21 11.437 3.581 -9.613
144 HA2 GLY 21 HA2 GLY 21 10.090 3.478 -12.219
145 HA3 GLY 21 HA3 GLY 21 11.409 4.618 -12.004
146 H CYS 22 H CYS 22 10.539 1.228 -12.170
147 HA CYS 22 HA CYS 22 12.945 -0.012 -11.693
148 HB2 CYS 22 HB2 CYS 22 10.658 -1.033 -12.303
149 HB3 CYS 22 HB3 CYS 22 11.175 -0.856 -13.977
150 H ARG 23 H ARG 23 14.895 0.320 -12.507
151 HA ARG 23 HA ARG 23 15.200 1.585 -15.106
152 HB2 ARG 23 HB2 ARG 23 16.993 1.059 -12.775
153 HB3 ARG 23 HB3 ARG 23 17.719 1.325 -14.355
154 HG2 ARG 23 HG2 ARG 23 16.211 3.440 -14.400
155 HG3 ARG 23 HG3 ARG 23 16.152 3.207 -12.652
156 HD2 ARG 23 HD2 ARG 23 17.951 4.675 -13.024
157 HD3 ARG 23 HD3 ARG 23 18.686 3.100 -12.729
158 HE ARG 23 HE ARG 23 19.459 3.084 -14.893
159 HH11 ARG 23 HH11 ARG 23 17.117 5.630 -14.507
160 HH12 ARG 23 HH12 ARG 23 17.445 6.343 -16.052
161 HH21 ARG 23 HH21 ARG 23 19.900 4.014 -16.928
162 HH22 ARG 23 HH22 ARG 23 19.028 5.423 -17.428
163 H THR 24 H THR 24 16.274 0.696 -16.854
164 HA THR 24 HA THR 24 16.197 -2.189 -17.003
165 HB THR 24 HB THR 24 15.419 -0.708 -18.876
166 HG1 THR 24 HG1 THR 24 15.899 -2.310 -20.200
167 HG21 THR 24 HG21 THR 24 18.374 -0.305 -19.349
168 HG22 THR 24 HG22 THR 24 17.280 0.927 -18.719
169 HG23 THR 24 HG23 THR 24 17.052 0.295 -20.349
170 H ASP 25 H ASP 25 18.549 0.241 -16.435
171 HA ASP 25 HA ASP 25 20.776 -1.498 -17.164
172 HB2 ASP 25 HB2 ASP 25 20.594 1.375 -16.275
173 HB3 ASP 25 HB3 ASP 25 22.135 0.527 -16.368
174 H LEU 26 H LEU 26 19.215 -0.119 -14.334
175 HA LEU 26 HA LEU 26 21.165 -1.383 -12.564
176 HB2 LEU 26 HB2 LEU 26 18.916 0.556 -12.125
177 HB3 LEU 26 HB3 LEU 26 19.720 -0.255 -10.784
178 HG LEU 26 HG LEU 26 20.645 1.939 -11.016
179 HD11 LEU 26 HD11 LEU 26 22.937 1.426 -11.141
180 HD12 LEU 26 HD12 LEU 26 22.661 0.088 -12.257
181 HD13 LEU 26 HD13 LEU 26 22.155 -0.049 -10.573
182 HD21 LEU 26 HD21 LEU 26 21.023 2.986 -12.954
183 HD22 LEU 26 HD22 LEU 26 20.081 1.687 -13.686
184 HD23 LEU 26 HD23 LEU 26 21.842 1.591 -13.655
185 H TYR 27 H TYR 27 17.809 -1.619 -13.546
186 HA TYR 27 HA TYR 27 16.235 -3.234 -13.246
187 HB2 TYR 27 HB2 TYR 27 18.794 -4.668 -12.882
188 HB3 TYR 27 HB3 TYR 27 17.373 -5.472 -12.224
189 HD1 TYR 27 HD1 TYR 27 17.506 -3.338 -15.255
190 HD2 TYR 27 HD2 TYR 27 17.157 -7.287 -13.711
191 HE1 TYR 27 HE1 TYR 27 16.936 -4.159 -17.502
192 HE2 TYR 27 HE2 TYR 27 16.588 -8.120 -15.955
193 HH TYR 27 HH TYR 27 16.482 -7.609 -18.137
194 H TYR 28 H TYR 28 16.064 -1.453 -11.353
195 HA TYR 28 HA TYR 28 15.155 -2.937 -9.071
196 HB2 TYR 28 HB2 TYR 28 16.625 -2.232 -7.441
197 HB3 TYR 28 HB3 TYR 28 17.722 -2.400 -8.806
198 HD1 TYR 28 HD1 TYR 28 17.695 -0.109 -10.332
199 HD2 TYR 28 HD2 TYR 28 16.995 -0.372 -6.144
200 HE1 TYR 28 HE1 TYR 28 18.381 2.240 -10.076
201 HE2 TYR 28 HE2 TYR 28 17.677 1.976 -5.875
202 HH TYR 28 HH TYR 28 18.856 3.872 -8.628
203 H CYS 29 H CYS 29 13.677 -1.801 -7.830
204 HA CYS 29 HA CYS 29 12.364 0.358 -9.102
205 HB2 CYS 29 HB2 CYS 29 12.055 -0.665 -6.271
206 HB3 CYS 29 HB3 CYS 29 10.925 0.393 -7.108
207 H ALA 30 H ALA 30 13.023 2.394 -9.161
208 HA ALA 30 HA ALA 30 14.731 3.419 -7.013
209 HB1 ALA 30 HB1 ALA 30 15.831 3.988 -8.914
210 HB2 ALA 30 HB2 ALA 30 14.354 4.088 -9.874
211 HB3 ALA 30 HB3 ALA 30 14.790 5.405 -8.785
212 H TRP 31 H TRP 31 13.454 4.104 -5.376
213 HA TRP 31 HA TRP 31 10.912 5.286 -5.680
214 HB2 TRP 31 HB2 TRP 31 11.705 4.212 -3.590
215 HB3 TRP 31 HB3 TRP 31 12.829 5.547 -3.353
216 HD1 TRP 31 HD1 TRP 31 11.601 8.046 -3.034
217 HE1 TRP 31 HE1 TRP 31 9.430 8.604 -1.768
218 HE3 TRP 31 HE3 TRP 31 9.509 3.382 -2.914
219 HZ2 TRP 31 HZ2 TRP 31 7.136 7.247 -0.840
220 HZ3 TRP 31 HZ3 TRP 31 7.325 3.098 -1.818
221 HH2 TRP 31 HH2 TRP 31 6.165 4.991 -0.802
222 H ASP 32 H ASP 32 10.545 7.153 -6.676
223 HA ASP 32 HA ASP 32 11.999 9.523 -5.831
224 HB2 ASP 32 HB2 ASP 32 13.183 8.492 -7.857
225 HB3 ASP 32 HB3 ASP 32 11.759 8.960 -8.781
226 H GLY 33 H GLY 33 9.658 8.382 -8.277
227 HA2 GLY 33 HA2 GLY 33 7.370 8.943 -8.332
228 HA3 GLY 33 HA3 GLY 33 7.684 10.240 -7.187
229 H THR 34 H THR 34 10.035 11.066 -8.912
230 HA THR 34 HA THR 34 8.503 12.334 -11.087
231 HB THR 34 HB THR 34 9.965 14.350 -10.785
232 HG1 THR 34 HG1 THR 34 11.639 13.484 -9.561
233 HG21 THR 34 HG21 THR 34 8.528 15.328 -9.272
234 HG22 THR 34 HG22 THR 34 8.513 13.919 -8.213
235 HG23 THR 34 HG23 THR 34 7.604 13.895 -9.724
236 H PHE 35 H PHE 35 9.400 12.260 -13.061
237 HA PHE 35 HA PHE 35 12.251 11.629 -13.308
238 HB2 PHE 35 HB2 PHE 35 9.969 10.091 -14.538
239 HB3 PHE 35 HB3 PHE 35 11.597 10.039 -15.206
240 HD1 PHE 35 HD1 PHE 35 13.376 9.816 -13.036
241 HD2 PHE 35 HD2 PHE 35 9.471 8.164 -13.412
242 HE1 PHE 35 HE1 PHE 35 13.975 8.044 -11.439
243 HE2 PHE 35 HE2 PHE 35 10.065 6.390 -11.814
244 HZ PHE 35 HZ PHE 35 12.318 6.328 -10.825
Start of MODEL 17
1 H1 SER 1 H SER 1 0.568 1.293 -0.238
2 HA SER 1 HA SER 1 2.624 0.818 -1.872
3 HB2 SER 1 HB2 SER 1 2.149 -0.583 0.769
4 HB3 SER 1 HB3 SER 1 3.705 -0.512 -0.057
5 HG SER 1 HG SER 1 3.404 1.849 0.041
6 H GLU 2 H GLU 2 1.637 -0.306 -3.697
7 HA GLU 2 HA GLU 2 1.509 -3.224 -3.325
8 HB2 GLU 2 HB2 GLU 2 0.295 -1.454 -5.453
9 HB3 GLU 2 HB3 GLU 2 0.282 -3.211 -5.518
10 HG2 GLU 2 HG2 GLU 2 -0.838 -3.042 -3.189
11 HG3 GLU 2 HG3 GLU 2 -1.176 -1.379 -3.668
12 H CYS 3 H CYS 3 3.889 -1.408 -3.768
13 HA CYS 3 HA CYS 3 4.958 -2.824 -6.118
14 HB2 CYS 3 HB2 CYS 3 6.486 -0.750 -6.326
15 HB3 CYS 3 HB3 CYS 3 4.823 -0.618 -6.887
16 H ARG 4 H ARG 4 7.418 -2.849 -6.088
17 HA ARG 4 HA ARG 4 8.250 -3.871 -3.510
18 HB2 ARG 4 HB2 ARG 4 9.956 -3.675 -5.986
19 HB3 ARG 4 HB3 ARG 4 10.123 -4.789 -4.635
20 HG2 ARG 4 HG2 ARG 4 8.150 -5.981 -5.297
21 HG3 ARG 4 HG3 ARG 4 7.809 -4.793 -6.557
22 HD2 ARG 4 HD2 ARG 4 8.880 -6.249 -7.893
23 HD3 ARG 4 HD3 ARG 4 10.334 -5.526 -7.210
24 HE ARG 4 HE ARG 4 10.745 -7.485 -6.098
25 HH11 ARG 4 HH11 ARG 4 7.455 -7.483 -7.237
26 HH12 ARG 4 HH12 ARG 4 7.170 -9.138 -6.813
27 HH21 ARG 4 HH21 ARG 4 10.380 -9.666 -5.536
28 HH22 ARG 4 HH22 ARG 4 8.834 -10.379 -5.845
29 H TYR 5 H TYR 5 9.605 -2.917 -2.108
30 HA TYR 5 HA TYR 5 10.126 -0.155 -2.278
31 HB2 TYR 5 HB2 TYR 5 10.716 -2.335 -0.397
32 HB3 TYR 5 HB3 TYR 5 11.903 -1.035 -0.389
33 HD1 TYR 5 HD1 TYR 5 8.994 -2.151 1.116
34 HD2 TYR 5 HD2 TYR 5 10.732 1.407 -0.441
35 HE1 TYR 5 HE1 TYR 5 7.503 -0.807 2.538
36 HE2 TYR 5 HE2 TYR 5 9.247 2.760 0.978
37 HH TYR 5 HH TYR 5 7.414 2.709 2.298
38 H LEU 6 H LEU 6 12.419 0.728 -1.922
39 HA LEU 6 HA LEU 6 13.896 0.602 -4.196
40 HB2 LEU 6 HB2 LEU 6 14.131 2.083 -2.071
41 HB3 LEU 6 HB3 LEU 6 15.315 0.875 -1.576
42 HG LEU 6 HG LEU 6 16.269 1.436 -4.015
43 HD11 LEU 6 HD11 LEU 6 15.133 3.153 -4.895
44 HD12 LEU 6 HD12 LEU 6 16.070 4.140 -3.776
45 HD13 LEU 6 HD13 LEU 6 14.441 3.624 -3.343
46 HD21 LEU 6 HD21 LEU 6 17.997 2.489 -2.931
47 HD22 LEU 6 HD22 LEU 6 17.229 1.642 -1.588
48 HD23 LEU 6 HD23 LEU 6 16.924 3.362 -1.836
49 H PHE 7 H PHE 7 15.418 -0.677 -5.095
50 HA PHE 7 HA PHE 7 16.681 -2.523 -5.505
51 HB2 PHE 7 HB2 PHE 7 17.093 -2.218 -2.535
52 HB3 PHE 7 HB3 PHE 7 17.872 -3.503 -3.451
53 HD1 PHE 7 HD1 PHE 7 17.946 -0.034 -2.535
54 HD2 PHE 7 HD2 PHE 7 19.422 -2.889 -5.327
55 HE1 PHE 7 HE1 PHE 7 19.755 1.513 -3.156
56 HE2 PHE 7 HE2 PHE 7 21.235 -1.345 -5.951
57 HZ PHE 7 HZ PHE 7 21.402 0.859 -4.866
58 H GLY 8 H GLY 8 13.990 -3.000 -5.450
59 HA2 GLY 8 HA2 GLY 8 13.458 -5.313 -3.778
60 HA3 GLY 8 HA3 GLY 8 12.346 -4.569 -4.917
61 H GLY 9 H GLY 9 15.140 -4.909 -6.580
62 HA2 GLY 9 HA2 GLY 9 15.959 -6.447 -8.085
63 HA3 GLY 9 HA3 GLY 9 15.142 -7.699 -7.162
64 H CYS 10 H CYS 10 13.958 -4.882 -8.993
65 HA CYS 10 HA CYS 10 11.874 -6.518 -10.165
66 HB2 CYS 10 HB2 CYS 10 10.964 -4.468 -11.016
67 HB3 CYS 10 HB3 CYS 10 11.480 -4.173 -9.359
68 H LYS 11 H LYS 11 11.439 -5.853 -12.618
69 HA LYS 11 HA LYS 11 13.968 -6.116 -14.099
70 HB2 LYS 11 HB2 LYS 11 11.425 -7.656 -14.646
71 HB3 LYS 11 HB3 LYS 11 12.894 -7.727 -15.610
72 HG2 LYS 11 HG2 LYS 11 12.881 -8.442 -12.698
73 HG3 LYS 11 HG3 LYS 11 12.471 -9.614 -13.953
74 HD2 LYS 11 HD2 LYS 11 14.671 -9.077 -15.037
75 HD3 LYS 11 HD3 LYS 11 15.070 -8.127 -13.604
76 HE2 LYS 11 HE2 LYS 11 16.045 -10.194 -13.171
77 HE3 LYS 11 HE3 LYS 11 14.519 -10.270 -12.292
78 HZ1 LYS 11 HZ1 LYS 11 13.594 -11.683 -13.870
79 HZ2 LYS 11 HZ2 LYS 11 15.175 -12.264 -13.710
80 HZ3 LYS 11 HZ3 LYS 11 14.753 -11.314 -15.045
81 H THR 12 H THR 12 10.587 -5.144 -14.114
82 HA THR 12 HA THR 12 11.214 -3.243 -16.266
83 HB THR 12 HB THR 12 9.095 -3.619 -17.352
84 HG1 THR 12 HG1 THR 12 7.799 -5.458 -16.541
85 HG21 THR 12 HG21 THR 12 9.513 -5.705 -18.349
86 HG22 THR 12 HG22 THR 12 10.202 -6.371 -16.868
87 HG23 THR 12 HG23 THR 12 11.094 -5.161 -17.790
88 H THR 13 H THR 13 9.604 -1.461 -16.405
89 HA THR 13 HA THR 13 9.302 -0.172 -13.945
90 HB THR 13 HB THR 13 7.555 0.472 -16.308
91 HG1 THR 13 HG1 THR 13 10.310 1.147 -15.991
92 HG21 THR 13 HG21 THR 13 8.206 1.731 -13.829
93 HG22 THR 13 HG22 THR 13 7.116 2.290 -15.099
94 HG23 THR 13 HG23 THR 13 8.825 2.723 -15.149
95 H ALA 14 H ALA 14 7.108 -2.231 -15.748
96 HA ALA 14 HA ALA 14 4.739 -1.647 -14.351
97 HB1 ALA 14 HB1 ALA 14 5.632 -4.105 -15.839
98 HB2 ALA 14 HB2 ALA 14 4.020 -3.930 -15.146
99 HB3 ALA 14 HB3 ALA 14 4.565 -2.818 -16.402
100 H ASP 15 H ASP 15 7.509 -3.544 -13.512
101 HA ASP 15 HA ASP 15 6.319 -5.199 -11.549
102 HB2 ASP 15 HB2 ASP 15 9.176 -4.238 -11.816
103 HB3 ASP 15 HB3 ASP 15 8.640 -5.520 -10.732
104 H CYS 16 H CYS 16 7.441 -1.906 -11.536
105 HA CYS 16 HA CYS 16 6.917 -1.745 -8.642
106 HB2 CYS 16 HB2 CYS 16 8.424 0.339 -10.200
107 HB3 CYS 16 HB3 CYS 16 8.466 0.011 -8.470
108 H CYS 17 H CYS 17 6.215 0.578 -8.008
109 HA CYS 17 HA CYS 17 3.855 1.187 -9.608
110 HB2 CYS 17 HB2 CYS 17 3.187 2.568 -7.652
111 HB3 CYS 17 HB3 CYS 17 3.487 0.884 -7.235
112 H LYS 18 H LYS 18 3.248 3.618 -9.600
113 HA LYS 18 HA LYS 18 4.941 4.992 -11.286
114 HB2 LYS 18 HB2 LYS 18 3.628 7.022 -10.678
115 HB3 LYS 18 HB3 LYS 18 2.632 5.631 -11.085
116 HG2 LYS 18 HG2 LYS 18 2.533 5.201 -8.564
117 HG3 LYS 18 HG3 LYS 18 3.140 6.850 -8.397
118 HD2 LYS 18 HD2 LYS 18 1.237 7.702 -9.642
119 HD3 LYS 18 HD3 LYS 18 0.648 6.059 -9.905
120 HE2 LYS 18 HE2 LYS 18 0.743 5.949 -7.284
121 HE3 LYS 18 HE3 LYS 18 0.660 7.705 -7.417
122 HZ1 LYS 18 HZ1 LYS 18 -1.496 7.589 -7.855
123 HZ2 LYS 18 HZ2 LYS 18 -1.447 5.934 -7.509
124 HZ3 LYS 18 HZ3 LYS 18 -1.261 6.471 -9.103
125 H HIS 19 H HIS 19 4.690 5.227 -7.761
126 HA HIS 19 HA HIS 19 6.393 7.355 -7.299
127 HB2 HIS 19 HB2 HIS 19 6.134 4.850 -5.623
128 HB3 HIS 19 HB3 HIS 19 6.759 6.402 -5.073
129 HD1 HIS 19 HD1 HIS 19 4.368 5.146 -3.649
130 HD2 HIS 19 HD2 HIS 19 4.025 7.831 -6.801
131 HE1 HIS 19 HE1 HIS 19 2.081 6.165 -3.419
132 H LEU 20 H LEU 20 7.148 4.051 -8.147
133 HA LEU 20 HA LEU 20 10.019 4.633 -7.900
134 HB2 LEU 20 HB2 LEU 20 8.723 1.952 -8.341
135 HB3 LEU 20 HB3 LEU 20 10.399 2.273 -7.901
136 HG LEU 20 HG LEU 20 8.276 3.176 -6.027
137 HD11 LEU 20 HD11 LEU 20 7.508 0.952 -6.606
138 HD12 LEU 20 HD12 LEU 20 8.198 0.955 -4.984
139 HD13 LEU 20 HD13 LEU 20 9.124 0.299 -6.333
140 HD21 LEU 20 HD21 LEU 20 10.110 3.557 -4.838
141 HD22 LEU 20 HD22 LEU 20 11.117 2.759 -6.046
142 HD23 LEU 20 HD23 LEU 20 10.369 1.814 -4.756
143 H GLY 21 H GLY 21 11.391 3.515 -9.618
144 HA2 GLY 21 HA2 GLY 21 10.075 3.438 -12.237
145 HA3 GLY 21 HA3 GLY 21 11.383 4.590 -12.004
146 H CYS 22 H CYS 22 10.542 1.193 -12.193
147 HA CYS 22 HA CYS 22 12.961 -0.024 -11.702
148 HB2 CYS 22 HB2 CYS 22 10.679 -1.061 -12.326
149 HB3 CYS 22 HB3 CYS 22 11.217 -0.895 -13.993
150 H ARG 23 H ARG 23 14.910 0.327 -12.511
151 HA ARG 23 HA ARG 23 15.207 1.590 -15.114
152 HB2 ARG 23 HB2 ARG 23 17.068 1.019 -12.826
153 HB3 ARG 23 HB3 ARG 23 17.702 1.462 -14.405
154 HG2 ARG 23 HG2 ARG 23 16.347 3.536 -14.312
155 HG3 ARG 23 HG3 ARG 23 15.870 3.101 -12.669
156 HD2 ARG 23 HD2 ARG 23 17.656 4.513 -12.290
157 HD3 ARG 23 HD3 ARG 23 18.429 2.929 -12.253
158 HE ARG 23 HE ARG 23 18.705 3.640 -14.829
159 HH11 ARG 23 HH11 ARG 23 19.368 5.320 -11.852
160 HH12 ARG 23 HH12 ARG 23 20.672 6.248 -12.515
161 HH21 ARG 23 HH21 ARG 23 20.420 4.857 -15.712
162 HH22 ARG 23 HH22 ARG 23 21.269 5.985 -14.711
163 H THR 24 H THR 24 16.278 0.704 -16.859
164 HA THR 24 HA THR 24 16.246 -2.181 -16.995
165 HB THR 24 HB THR 24 16.622 -1.954 -19.341
166 HG1 THR 24 HG1 THR 24 18.016 -0.448 -19.874
167 HG21 THR 24 HG21 THR 24 14.468 -0.834 -18.080
168 HG22 THR 24 HG22 THR 24 14.603 -1.087 -19.821
169 HG23 THR 24 HG23 THR 24 15.008 0.482 -19.123
170 H ASP 25 H ASP 25 18.553 0.259 -16.372
171 HA ASP 25 HA ASP 25 20.815 -1.417 -17.141
172 HB2 ASP 25 HB2 ASP 25 20.530 1.433 -16.234
173 HB3 ASP 25 HB3 ASP 25 22.101 0.636 -16.196
174 H LEU 26 H LEU 26 19.301 -0.050 -14.259
175 HA LEU 26 HA LEU 26 21.228 -1.397 -12.535
176 HB2 LEU 26 HB2 LEU 26 19.041 0.599 -12.089
177 HB3 LEU 26 HB3 LEU 26 19.718 -0.306 -10.736
178 HG LEU 26 HG LEU 26 21.991 0.633 -11.754
179 HD11 LEU 26 HD11 LEU 26 20.116 1.925 -13.347
180 HD12 LEU 26 HD12 LEU 26 21.822 2.333 -13.172
181 HD13 LEU 26 HD13 LEU 26 20.616 3.138 -12.168
182 HD21 LEU 26 HD21 LEU 26 20.513 2.665 -10.209
183 HD22 LEU 26 HD22 LEU 26 22.070 1.902 -9.887
184 HD23 LEU 26 HD23 LEU 26 20.574 1.048 -9.507
185 H TYR 27 H TYR 27 17.888 -1.616 -13.548
186 HA TYR 27 HA TYR 27 16.311 -3.233 -13.286
187 HB2 TYR 27 HB2 TYR 27 18.863 -4.665 -12.893
188 HB3 TYR 27 HB3 TYR 27 17.440 -5.473 -12.245
189 HD1 TYR 27 HD1 TYR 27 17.618 -3.346 -15.283
190 HD2 TYR 27 HD2 TYR 27 17.206 -7.284 -13.726
191 HE1 TYR 27 HE1 TYR 27 17.069 -4.171 -17.534
192 HE2 TYR 27 HE2 TYR 27 16.657 -8.121 -15.973
193 HH TYR 27 HH TYR 27 15.626 -7.007 -18.150
194 H TYR 28 H TYR 28 16.101 -1.461 -11.390
195 HA TYR 28 HA TYR 28 15.154 -2.958 -9.131
196 HB2 TYR 28 HB2 TYR 28 16.587 -2.241 -7.470
197 HB3 TYR 28 HB3 TYR 28 17.712 -2.410 -8.813
198 HD1 TYR 28 HD1 TYR 28 17.616 -0.094 -10.360
199 HD2 TYR 28 HD2 TYR 28 17.024 -0.406 -6.158
200 HE1 TYR 28 HE1 TYR 28 18.289 2.256 -10.097
201 HE2 TYR 28 HE2 TYR 28 17.694 1.945 -5.883
202 HH TYR 28 HH TYR 28 18.918 3.834 -8.588
203 H CYS 29 H CYS 29 13.713 -1.788 -7.837
204 HA CYS 29 HA CYS 29 12.381 0.350 -9.151
205 HB2 CYS 29 HB2 CYS 29 12.045 -0.683 -6.326
206 HB3 CYS 29 HB3 CYS 29 10.922 0.381 -7.168
207 H ALA 30 H ALA 30 13.034 2.388 -9.202
208 HA ALA 30 HA ALA 30 14.725 3.417 -7.045
209 HB1 ALA 30 HB1 ALA 30 14.093 4.790 -9.646
210 HB2 ALA 30 HB2 ALA 30 15.425 5.115 -8.536
211 HB3 ALA 30 HB3 ALA 30 15.400 3.619 -9.468
212 H TRP 31 H TRP 31 13.480 4.119 -5.401
213 HA TRP 31 HA TRP 31 10.923 5.307 -5.728
214 HB2 TRP 31 HB2 TRP 31 11.615 4.143 -3.662
215 HB3 TRP 31 HB3 TRP 31 12.786 5.419 -3.346
216 HD1 TRP 31 HD1 TRP 31 11.619 7.969 -3.022
217 HE1 TRP 31 HE1 TRP 31 9.458 8.560 -1.754
218 HE3 TRP 31 HE3 TRP 31 9.420 3.355 -2.973
219 HZ2 TRP 31 HZ2 TRP 31 7.130 7.243 -0.853
220 HZ3 TRP 31 HZ3 TRP 31 7.227 3.104 -1.887
221 HH2 TRP 31 HH2 TRP 31 6.107 5.010 -0.849
222 H ASP 32 H ASP 32 10.705 7.179 -6.780
223 HA ASP 32 HA ASP 32 12.205 9.489 -5.795
224 HB2 ASP 32 HB2 ASP 32 13.357 8.616 -7.841
225 HB3 ASP 32 HB3 ASP 32 11.875 8.918 -8.746
226 H GLY 33 H GLY 33 9.617 8.370 -7.963
227 HA2 GLY 33 HA2 GLY 33 7.356 9.059 -7.747
228 HA3 GLY 33 HA3 GLY 33 7.902 10.487 -6.881
229 H THR 34 H THR 34 10.018 10.859 -9.018
230 HA THR 34 HA THR 34 8.294 11.779 -11.214
231 HB THR 34 HB THR 34 9.714 13.860 -11.344
232 HG1 THR 34 HG1 THR 34 11.352 13.930 -10.018
233 HG21 THR 34 HG21 THR 34 8.199 15.012 -10.106
234 HG22 THR 34 HG22 THR 34 8.407 13.979 -8.692
235 HG23 THR 34 HG23 THR 34 7.406 13.440 -10.039
236 H PHE 35 H PHE 35 9.425 12.170 -13.223
237 HA PHE 35 HA PHE 35 12.031 10.818 -13.404
238 HB2 PHE 35 HB2 PHE 35 9.865 10.547 -15.489
239 HB3 PHE 35 HB3 PHE 35 11.374 9.644 -15.376
240 HD1 PHE 35 HD1 PHE 35 11.679 8.158 -13.293
241 HD2 PHE 35 HD2 PHE 35 7.921 9.671 -14.595
242 HE1 PHE 35 HE1 PHE 35 10.531 6.396 -12.016
243 HE2 PHE 35 HE2 PHE 35 6.766 7.913 -13.320
244 HZ PHE 35 HZ PHE 35 8.071 6.272 -12.027
Start of MODEL 18
1 H1 SER 1 H SER 1 -0.085 0.259 -0.353
2 HA SER 1 HA SER 1 1.701 0.588 -2.463
3 HB2 SER 1 HB2 SER 1 2.408 0.842 -0.150
4 HB3 SER 1 HB3 SER 1 2.094 -0.864 0.166
5 HG SER 1 HG SER 1 4.147 -1.012 -0.327
6 H GLU 2 H GLU 2 1.057 -0.693 -4.213
7 HA GLU 2 HA GLU 2 1.271 -3.599 -3.873
8 HB2 GLU 2 HB2 GLU 2 0.189 -1.984 -6.190
9 HB3 GLU 2 HB3 GLU 2 0.206 -3.740 -6.093
10 HG2 GLU 2 HG2 GLU 2 -1.222 -3.567 -4.055
11 HG3 GLU 2 HG3 GLU 2 -1.347 -1.836 -4.361
12 H CYS 3 H CYS 3 3.511 -1.576 -4.076
13 HA CYS 3 HA CYS 3 4.925 -2.863 -6.317
14 HB2 CYS 3 HB2 CYS 3 6.281 -0.673 -6.372
15 HB3 CYS 3 HB3 CYS 3 4.662 -0.654 -7.064
16 H ARG 4 H ARG 4 7.319 -2.844 -6.051
17 HA ARG 4 HA ARG 4 7.987 -3.782 -3.411
18 HB2 ARG 4 HB2 ARG 4 9.921 -3.410 -5.687
19 HB3 ARG 4 HB3 ARG 4 10.015 -4.551 -4.352
20 HG2 ARG 4 HG2 ARG 4 8.249 -5.870 -5.258
21 HG3 ARG 4 HG3 ARG 4 7.900 -4.653 -6.488
22 HD2 ARG 4 HD2 ARG 4 9.134 -6.228 -7.659
23 HD3 ARG 4 HD3 ARG 4 10.348 -5.028 -7.220
24 HE ARG 4 HE ARG 4 11.362 -6.585 -5.876
25 HH11 ARG 4 HH11 ARG 4 8.195 -7.717 -6.773
26 HH12 ARG 4 HH12 ARG 4 8.436 -9.306 -6.126
27 HH21 ARG 4 HH21 ARG 4 11.692 -8.674 -5.021
28 HH22 ARG 4 HH22 ARG 4 10.426 -9.848 -5.129
29 H TYR 5 H TYR 5 10.350 -3.100 -2.683
30 HA TYR 5 HA TYR 5 10.299 -0.165 -2.488
31 HB2 TYR 5 HB2 TYR 5 10.842 -2.319 -0.563
32 HB3 TYR 5 HB3 TYR 5 11.988 -0.985 -0.496
33 HD1 TYR 5 HD1 TYR 5 8.845 -2.162 0.607
34 HD2 TYR 5 HD2 TYR 5 10.941 1.405 -0.384
35 HE1 TYR 5 HE1 TYR 5 7.236 -0.856 1.933
36 HE2 TYR 5 HE2 TYR 5 9.339 2.722 0.941
37 HH TYR 5 HH TYR 5 7.769 2.378 2.802
38 H LEU 6 H LEU 6 12.551 0.771 -2.003
39 HA LEU 6 HA LEU 6 14.153 0.723 -4.175
40 HB2 LEU 6 HB2 LEU 6 14.277 2.101 -1.964
41 HB3 LEU 6 HB3 LEU 6 15.461 0.885 -1.493
42 HG LEU 6 HG LEU 6 16.571 1.544 -3.785
43 HD11 LEU 6 HD11 LEU 6 15.239 3.085 -4.790
44 HD12 LEU 6 HD12 LEU 6 16.227 4.175 -3.819
45 HD13 LEU 6 HD13 LEU 6 14.619 3.712 -3.263
46 HD21 LEU 6 HD21 LEU 6 16.720 3.289 -1.328
47 HD22 LEU 6 HD22 LEU 6 17.939 3.176 -2.597
48 HD23 LEU 6 HD23 LEU 6 17.596 1.778 -1.577
49 H PHE 7 H PHE 7 15.552 -0.617 -5.124
50 HA PHE 7 HA PHE 7 16.828 -2.450 -5.554
51 HB2 PHE 7 HB2 PHE 7 17.282 -2.284 -2.570
52 HB3 PHE 7 HB3 PHE 7 18.152 -3.385 -3.634
53 HD1 PHE 7 HD1 PHE 7 18.057 -0.127 -2.227
54 HD2 PHE 7 HD2 PHE 7 19.464 -2.347 -5.574
55 HE1 PHE 7 HE1 PHE 7 19.700 1.641 -2.704
56 HE2 PHE 7 HE2 PHE 7 21.111 -0.583 -6.057
57 HZ PHE 7 HZ PHE 7 21.230 1.414 -4.621
58 H GLY 8 H GLY 8 14.139 -2.934 -5.442
59 HA2 GLY 8 HA2 GLY 8 13.571 -5.184 -3.730
60 HA3 GLY 8 HA3 GLY 8 12.521 -4.529 -4.977
61 H GLY 9 H GLY 9 14.928 -4.756 -6.866
62 HA2 GLY 9 HA2 GLY 9 15.998 -6.421 -8.114
63 HA3 GLY 9 HA3 GLY 9 15.200 -7.640 -7.131
64 H CYS 10 H CYS 10 13.948 -4.965 -9.122
65 HA CYS 10 HA CYS 10 11.999 -6.787 -10.284
66 HB2 CYS 10 HB2 CYS 10 11.011 -4.751 -11.262
67 HB3 CYS 10 HB3 CYS 10 11.209 -4.609 -9.519
68 H LYS 11 H LYS 11 11.526 -6.121 -12.738
69 HA LYS 11 HA LYS 11 14.097 -6.225 -14.173
70 HB2 LYS 11 HB2 LYS 11 11.576 -7.744 -14.867
71 HB3 LYS 11 HB3 LYS 11 13.079 -7.772 -15.779
72 HG2 LYS 11 HG2 LYS 11 14.204 -8.727 -13.779
73 HG3 LYS 11 HG3 LYS 11 12.625 -8.826 -12.997
74 HD2 LYS 11 HD2 LYS 11 12.971 -10.962 -13.896
75 HD3 LYS 11 HD3 LYS 11 11.895 -10.169 -15.047
76 HE2 LYS 11 HE2 LYS 11 13.906 -9.577 -16.401
77 HE3 LYS 11 HE3 LYS 11 14.875 -10.554 -15.300
78 HZ1 LYS 11 HZ1 LYS 11 13.939 -11.570 -17.488
79 HZ2 LYS 11 HZ2 LYS 11 12.525 -11.761 -16.580
80 HZ3 LYS 11 HZ3 LYS 11 13.963 -12.490 -16.068
81 H THR 12 H THR 12 10.755 -5.180 -14.145
82 HA THR 12 HA THR 12 11.408 -3.226 -16.238
83 HB THR 12 HB THR 12 9.031 -3.513 -17.098
84 HG1 THR 12 HG1 THR 12 8.161 -4.777 -15.453
85 HG21 THR 12 HG21 THR 12 9.823 -5.921 -18.098
86 HG22 THR 12 HG22 THR 12 11.355 -5.256 -17.532
87 HG23 THR 12 HG23 THR 12 10.379 -4.357 -18.693
88 H THR 13 H THR 13 9.743 -1.453 -16.336
89 HA THR 13 HA THR 13 9.465 -0.257 -13.807
90 HB THR 13 HB THR 13 7.786 0.536 -16.174
91 HG1 THR 13 HG1 THR 13 9.522 1.244 -17.202
92 HG21 THR 13 HG21 THR 13 9.195 2.588 -14.662
93 HG22 THR 13 HG22 THR 13 8.122 1.616 -13.653
94 HG23 THR 13 HG23 THR 13 7.484 2.457 -15.065
95 H ALA 14 H ALA 14 7.275 -2.191 -15.744
96 HA ALA 14 HA ALA 14 4.871 -1.626 -14.432
97 HB1 ALA 14 HB1 ALA 14 5.666 -4.271 -15.640
98 HB2 ALA 14 HB2 ALA 14 4.029 -3.661 -15.387
99 HB3 ALA 14 HB3 ALA 14 5.088 -2.884 -16.564
100 H ASP 15 H ASP 15 7.598 -3.519 -13.458
101 HA ASP 15 HA ASP 15 6.319 -5.161 -11.540
102 HB2 ASP 15 HB2 ASP 15 9.182 -4.216 -11.766
103 HB3 ASP 15 HB3 ASP 15 8.632 -5.408 -10.591
104 H CYS 16 H CYS 16 7.443 -1.870 -11.497
105 HA CYS 16 HA CYS 16 6.776 -1.688 -8.633
106 HB2 CYS 16 HB2 CYS 16 8.359 0.409 -10.077
107 HB3 CYS 16 HB3 CYS 16 8.361 -0.001 -8.365
108 H CYS 17 H CYS 17 6.076 0.653 -8.054
109 HA CYS 17 HA CYS 17 3.826 1.290 -9.806
110 HB2 CYS 17 HB2 CYS 17 3.040 2.660 -7.872
111 HB3 CYS 17 HB3 CYS 17 3.255 0.955 -7.486
112 H LYS 18 H LYS 18 3.241 3.749 -9.731
113 HA LYS 18 HA LYS 18 5.033 5.139 -11.297
114 HB2 LYS 18 HB2 LYS 18 3.734 7.171 -10.705
115 HB3 LYS 18 HB3 LYS 18 2.718 5.807 -11.151
116 HG2 LYS 18 HG2 LYS 18 2.617 5.371 -8.598
117 HG3 LYS 18 HG3 LYS 18 3.141 7.052 -8.471
118 HD2 LYS 18 HD2 LYS 18 1.193 7.490 -10.151
119 HD3 LYS 18 HD3 LYS 18 0.596 5.935 -9.570
120 HE2 LYS 18 HE2 LYS 18 -0.441 7.455 -8.155
121 HE3 LYS 18 HE3 LYS 18 0.958 6.934 -7.218
122 HZ1 LYS 18 HZ1 LYS 18 2.107 8.955 -8.187
123 HZ2 LYS 18 HZ2 LYS 18 0.913 9.247 -7.025
124 HZ3 LYS 18 HZ3 LYS 18 0.573 9.484 -8.665
125 H HIS 19 H HIS 19 4.666 5.219 -7.781
126 HA HIS 19 HA HIS 19 6.367 7.311 -7.162
127 HB2 HIS 19 HB2 HIS 19 6.044 4.730 -5.616
128 HB3 HIS 19 HB3 HIS 19 6.651 6.253 -4.973
129 HD1 HIS 19 HD1 HIS 19 4.226 4.965 -3.668
130 HD2 HIS 19 HD2 HIS 19 3.964 7.741 -6.748
131 HE1 HIS 19 HE1 HIS 19 1.929 5.970 -3.474
132 H LEU 20 H LEU 20 7.125 4.037 -8.129
133 HA LEU 20 HA LEU 20 9.994 4.622 -7.823
134 HB2 LEU 20 HB2 LEU 20 8.693 1.935 -8.223
135 HB3 LEU 20 HB3 LEU 20 10.380 2.251 -7.827
136 HG LEU 20 HG LEU 20 8.507 3.324 -5.859
137 HD11 LEU 20 HD11 LEU 20 7.673 1.324 -4.979
138 HD12 LEU 20 HD12 LEU 20 8.728 0.335 -5.989
139 HD13 LEU 20 HD13 LEU 20 7.375 1.202 -6.713
140 HD21 LEU 20 HD21 LEU 20 10.186 1.575 -4.607
141 HD22 LEU 20 HD22 LEU 20 10.535 3.278 -4.911
142 HD23 LEU 20 HD23 LEU 20 11.131 2.043 -6.020
143 H GLY 21 H GLY 21 11.384 3.492 -9.520
144 HA2 GLY 21 HA2 GLY 21 10.092 3.354 -12.144
145 HA3 GLY 21 HA3 GLY 21 11.360 4.551 -11.923
146 H CYS 22 H CYS 22 10.633 1.126 -12.063
147 HA CYS 22 HA CYS 22 13.081 -0.009 -11.534
148 HB2 CYS 22 HB2 CYS 22 10.829 -1.111 -12.192
149 HB3 CYS 22 HB3 CYS 22 11.414 -0.967 -13.846
150 H ARG 23 H ARG 23 15.029 0.386 -12.325
151 HA ARG 23 HA ARG 23 15.387 1.773 -14.819
152 HB2 ARG 23 HB2 ARG 23 17.134 0.891 -12.581
153 HB3 ARG 23 HB3 ARG 23 17.897 1.139 -14.146
154 HG2 ARG 23 HG2 ARG 23 16.825 3.428 -14.159
155 HG3 ARG 23 HG3 ARG 23 16.422 3.142 -12.466
156 HD2 ARG 23 HD2 ARG 23 18.427 4.184 -12.188
157 HD3 ARG 23 HD3 ARG 23 18.996 2.523 -12.348
158 HE ARG 23 HE ARG 23 19.040 3.398 -14.891
159 HH11 ARG 23 HH11 ARG 23 20.279 4.735 -11.925
160 HH12 ARG 23 HH12 ARG 23 21.603 5.548 -12.693
161 HH21 ARG 23 HH21 ARG 23 20.778 4.464 -15.912
162 HH22 ARG 23 HH22 ARG 23 21.884 5.394 -14.961
163 H THR 24 H THR 24 16.468 1.015 -16.658
164 HA THR 24 HA THR 24 16.054 -1.796 -17.191
165 HB THR 24 HB THR 24 16.661 -1.285 -19.489
166 HG1 THR 24 HG1 THR 24 17.628 1.072 -18.307
167 HG21 THR 24 HG21 THR 24 15.055 1.116 -18.916
168 HG22 THR 24 HG22 THR 24 14.439 -0.384 -18.222
169 HG23 THR 24 HG23 THR 24 14.705 -0.259 -19.961
170 H ASP 25 H ASP 25 18.690 0.294 -16.394
171 HA ASP 25 HA ASP 25 20.676 -1.694 -17.200
172 HB2 ASP 25 HB2 ASP 25 21.099 1.042 -15.980
173 HB3 ASP 25 HB3 ASP 25 22.337 0.007 -16.688
174 H LEU 26 H LEU 26 19.348 -0.155 -14.324
175 HA LEU 26 HA LEU 26 21.118 -1.661 -12.577
176 HB2 LEU 26 HB2 LEU 26 19.032 0.447 -12.152
177 HB3 LEU 26 HB3 LEU 26 19.646 -0.500 -10.799
178 HG LEU 26 HG LEU 26 20.788 1.622 -10.901
179 HD11 LEU 26 HD11 LEU 26 22.619 0.589 -10.204
180 HD12 LEU 26 HD12 LEU 26 23.072 0.213 -11.867
181 HD13 LEU 26 HD13 LEU 26 22.050 -0.901 -10.958
182 HD21 LEU 26 HD21 LEU 26 21.678 2.568 -12.760
183 HD22 LEU 26 HD22 LEU 26 20.431 1.597 -13.543
184 HD23 LEU 26 HD23 LEU 26 22.097 1.018 -13.488
185 H TYR 27 H TYR 27 17.763 -1.630 -13.602
186 HA TYR 27 HA TYR 27 16.078 -3.141 -13.376
187 HB2 TYR 27 HB2 TYR 27 18.531 -4.762 -13.073
188 HB3 TYR 27 HB3 TYR 27 17.060 -5.494 -12.444
189 HD1 TYR 27 HD1 TYR 27 17.264 -3.237 -15.372
190 HD2 TYR 27 HD2 TYR 27 16.785 -7.242 -14.016
191 HE1 TYR 27 HE1 TYR 27 16.639 -3.927 -17.649
192 HE2 TYR 27 HE2 TYR 27 16.160 -7.943 -16.289
193 HH TYR 27 HH TYR 27 16.786 -6.708 -18.833
194 H TYR 28 H TYR 28 16.025 -1.435 -11.405
195 HA TYR 28 HA TYR 28 15.064 -2.985 -9.170
196 HB2 TYR 28 HB2 TYR 28 16.517 -2.255 -7.514
197 HB3 TYR 28 HB3 TYR 28 17.614 -2.497 -8.870
198 HD1 TYR 28 HD1 TYR 28 17.492 -0.185 -10.476
199 HD2 TYR 28 HD2 TYR 28 17.130 -0.437 -6.244
200 HE1 TYR 28 HE1 TYR 28 18.255 2.144 -10.278
201 HE2 TYR 28 HE2 TYR 28 17.892 1.892 -6.035
202 HH TYR 28 HH TYR 28 18.338 3.939 -8.837
203 H CYS 29 H CYS 29 13.631 -1.849 -7.852
204 HA CYS 29 HA CYS 29 12.282 0.315 -9.089
205 HB2 CYS 29 HB2 CYS 29 12.029 -0.776 -6.277
206 HB3 CYS 29 HB3 CYS 29 10.898 0.338 -7.038
207 H ALA 30 H ALA 30 12.943 2.350 -9.141
208 HA ALA 30 HA ALA 30 14.671 3.360 -6.998
209 HB1 ALA 30 HB1 ALA 30 15.386 5.046 -8.495
210 HB2 ALA 30 HB2 ALA 30 15.350 3.545 -9.421
211 HB3 ALA 30 HB3 ALA 30 14.054 4.726 -9.607
212 H TRP 31 H TRP 31 13.425 4.070 -5.356
213 HA TRP 31 HA TRP 31 10.880 5.261 -5.655
214 HB2 TRP 31 HB2 TRP 31 11.726 4.155 -3.573
215 HB3 TRP 31 HB3 TRP 31 12.771 5.550 -3.312
216 HD1 TRP 31 HD1 TRP 31 11.454 7.950 -2.888
217 HE1 TRP 31 HE1 TRP 31 9.219 8.384 -1.687
218 HE3 TRP 31 HE3 TRP 31 9.498 3.229 -3.078
219 HZ2 TRP 31 HZ2 TRP 31 6.930 6.920 -0.921
220 HZ3 TRP 31 HZ3 TRP 31 7.281 2.831 -2.087
221 HH2 TRP 31 HH2 TRP 31 6.026 4.639 -1.031
222 H ASP 32 H ASP 32 10.537 7.135 -6.646
223 HA ASP 32 HA ASP 32 12.019 9.484 -5.784
224 HB2 ASP 32 HB2 ASP 32 13.193 8.484 -7.813
225 HB3 ASP 32 HB3 ASP 32 11.754 8.912 -8.735
226 H GLY 33 H GLY 33 9.567 8.289 -8.078
227 HA2 GLY 33 HA2 GLY 33 7.289 8.906 -8.043
228 HA3 GLY 33 HA3 GLY 33 7.702 10.284 -7.035
229 H THR 34 H THR 34 9.967 10.893 -8.953
230 HA THR 34 HA THR 34 8.352 11.987 -11.161
231 HB THR 34 HB THR 34 9.881 14.005 -11.085
232 HG1 THR 34 HG1 THR 34 10.989 14.358 -9.145
233 HG21 THR 34 HG21 THR 34 8.403 13.926 -8.505
234 HG22 THR 34 HG22 THR 34 7.487 13.652 -9.988
235 HG23 THR 34 HG23 THR 34 8.395 15.148 -9.775
236 H PHE 35 H PHE 35 9.225 11.859 -13.162
237 HA PHE 35 HA PHE 35 11.908 10.664 -13.363
238 HB2 PHE 35 HB2 PHE 35 9.696 10.512 -15.416
239 HB3 PHE 35 HB3 PHE 35 11.208 9.611 -15.411
240 HD1 PHE 35 HD1 PHE 35 11.584 8.178 -13.199
241 HD2 PHE 35 HD2 PHE 35 7.808 9.426 -14.713
242 HE1 PHE 35 HE1 PHE 35 10.491 6.349 -11.971
243 HE2 PHE 35 HE2 PHE 35 6.708 7.599 -13.485
244 HZ PHE 35 HZ PHE 35 8.051 6.056 -12.113
Start of MODEL 19
1 H1 SER 1 H SER 1 0.697 1.708 -1.120
2 HA SER 1 HA SER 1 2.871 0.540 -1.609
3 HB2 SER 1 HB2 SER 1 1.743 0.717 0.740
4 HB3 SER 1 HB3 SER 1 1.413 -1.001 0.515
5 HG SER 1 HG SER 1 3.415 -0.589 1.591
6 H GLU 2 H GLU 2 1.586 -0.404 -3.742
7 HA GLU 2 HA GLU 2 1.505 -3.327 -3.416
8 HB2 GLU 2 HB2 GLU 2 0.283 -1.526 -5.508
9 HB3 GLU 2 HB3 GLU 2 0.333 -3.278 -5.654
10 HG2 GLU 2 HG2 GLU 2 -1.099 -3.578 -3.814
11 HG3 GLU 2 HG3 GLU 2 -0.914 -1.903 -3.297
12 H CYS 3 H CYS 3 3.867 -1.475 -3.793
13 HA CYS 3 HA CYS 3 4.997 -2.852 -6.138
14 HB2 CYS 3 HB2 CYS 3 6.485 -0.751 -6.322
15 HB3 CYS 3 HB3 CYS 3 4.823 -0.639 -6.893
16 H ARG 4 H ARG 4 7.434 -2.896 -6.072
17 HA ARG 4 HA ARG 4 8.250 -3.887 -3.483
18 HB2 ARG 4 HB2 ARG 4 9.994 -3.662 -5.929
19 HB3 ARG 4 HB3 ARG 4 10.148 -4.782 -4.581
20 HG2 ARG 4 HG2 ARG 4 8.189 -5.982 -5.287
21 HG3 ARG 4 HG3 ARG 4 7.877 -4.796 -6.556
22 HD2 ARG 4 HD2 ARG 4 8.917 -6.469 -7.747
23 HD3 ARG 4 HD3 ARG 4 10.283 -5.431 -7.342
24 HE ARG 4 HE ARG 4 10.270 -7.175 -5.300
25 HH11 ARG 4 HH11 ARG 4 10.127 -7.609 -8.751
26 HH12 ARG 4 HH12 ARG 4 10.930 -9.145 -8.722
27 HH21 ARG 4 HH21 ARG 4 11.327 -9.195 -5.249
28 HH22 ARG 4 HH22 ARG 4 11.611 -10.046 -6.729
29 H TYR 5 H TYR 5 9.696 -2.984 -2.105
30 HA TYR 5 HA TYR 5 10.142 -0.191 -2.242
31 HB2 TYR 5 HB2 TYR 5 10.745 -2.374 -0.366
32 HB3 TYR 5 HB3 TYR 5 11.909 -1.054 -0.339
33 HD1 TYR 5 HD1 TYR 5 8.999 -2.229 1.124
34 HD2 TYR 5 HD2 TYR 5 10.704 1.368 -0.380
35 HE1 TYR 5 HE1 TYR 5 7.471 -0.919 2.539
36 HE2 TYR 5 HE2 TYR 5 9.182 2.687 1.031
37 HH TYR 5 HH TYR 5 7.088 2.476 2.178
38 H LEU 6 H LEU 6 12.423 0.712 -1.862
39 HA LEU 6 HA LEU 6 13.920 0.625 -4.119
40 HB2 LEU 6 HB2 LEU 6 14.136 2.063 -1.961
41 HB3 LEU 6 HB3 LEU 6 15.330 0.855 -1.493
42 HG LEU 6 HG LEU 6 16.350 1.443 -3.854
43 HD11 LEU 6 HD11 LEU 6 14.383 3.565 -3.360
44 HD12 LEU 6 HD12 LEU 6 15.125 3.027 -4.866
45 HD13 LEU 6 HD13 LEU 6 15.997 4.126 -3.797
46 HD21 LEU 6 HD21 LEU 6 16.710 3.416 -1.619
47 HD22 LEU 6 HD22 LEU 6 17.908 2.817 -2.767
48 HD23 LEU 6 HD23 LEU 6 17.288 1.755 -1.502
49 H PHE 7 H PHE 7 15.375 -0.681 -5.061
50 HA PHE 7 HA PHE 7 16.644 -2.518 -5.495
51 HB2 PHE 7 HB2 PHE 7 17.100 -2.395 -2.508
52 HB3 PHE 7 HB3 PHE 7 17.996 -3.435 -3.609
53 HD1 PHE 7 HD1 PHE 7 17.960 -0.332 -1.981
54 HD2 PHE 7 HD2 PHE 7 19.129 -2.193 -5.627
55 HE1 PHE 7 HE1 PHE 7 19.553 1.496 -2.400
56 HE2 PHE 7 HE2 PHE 7 20.724 -0.368 -6.051
57 HZ PHE 7 HZ PHE 7 20.938 1.479 -4.436
58 H GLY 8 H GLY 8 14.028 -3.075 -5.509
59 HA2 GLY 8 HA2 GLY 8 13.508 -5.363 -3.780
60 HA3 GLY 8 HA3 GLY 8 12.376 -4.628 -4.905
61 H GLY 9 H GLY 9 15.124 -4.934 -6.628
62 HA2 GLY 9 HA2 GLY 9 15.954 -6.482 -8.121
63 HA3 GLY 9 HA3 GLY 9 15.130 -7.734 -7.203
64 H CYS 10 H CYS 10 13.957 -4.901 -9.016
65 HA CYS 10 HA CYS 10 11.866 -6.522 -10.196
66 HB2 CYS 10 HB2 CYS 10 10.958 -4.465 -11.028
67 HB3 CYS 10 HB3 CYS 10 11.480 -4.182 -9.370
68 H LYS 11 H LYS 11 11.422 -5.899 -12.635
69 HA LYS 11 HA LYS 11 13.949 -6.132 -14.126
70 HB2 LYS 11 HB2 LYS 11 11.406 -7.692 -14.612
71 HB3 LYS 11 HB3 LYS 11 12.816 -7.713 -15.664
72 HG2 LYS 11 HG2 LYS 11 14.155 -8.650 -13.840
73 HG3 LYS 11 HG3 LYS 11 12.727 -8.647 -12.801
74 HD2 LYS 11 HD2 LYS 11 12.719 -10.817 -13.570
75 HD3 LYS 11 HD3 LYS 11 11.670 -10.032 -14.753
76 HE2 LYS 11 HE2 LYS 11 13.703 -9.735 -16.199
77 HE3 LYS 11 HE3 LYS 11 14.578 -10.758 -15.062
78 HZ1 LYS 11 HZ1 LYS 11 12.202 -11.533 -16.665
79 HZ2 LYS 11 HZ2 LYS 11 12.932 -12.514 -15.496
80 HZ3 LYS 11 HZ3 LYS 11 13.789 -12.076 -16.887
81 H THR 12 H THR 12 10.582 -5.132 -14.105
82 HA THR 12 HA THR 12 11.201 -3.229 -16.256
83 HB THR 12 HB THR 12 8.996 -3.581 -17.271
84 HG1 THR 12 HG1 THR 12 8.683 -5.925 -15.724
85 HG21 THR 12 HG21 THR 12 9.406 -6.012 -18.034
86 HG22 THR 12 HG22 THR 12 10.851 -5.928 -17.026
87 HG23 THR 12 HG23 THR 12 10.649 -4.809 -18.373
88 H THR 13 H THR 13 9.572 -1.456 -16.388
89 HA THR 13 HA THR 13 9.274 -0.180 -13.918
90 HB THR 13 HB THR 13 7.652 0.406 -16.400
91 HG1 THR 13 HG1 THR 13 10.282 1.219 -15.663
92 HG21 THR 13 HG21 THR 13 6.782 2.002 -15.100
93 HG22 THR 13 HG22 THR 13 8.370 2.766 -15.124
94 HG23 THR 13 HG23 THR 13 7.936 1.676 -13.809
95 H ALA 14 H ALA 14 7.091 -2.245 -15.723
96 HA ALA 14 HA ALA 14 4.716 -1.675 -14.333
97 HB1 ALA 14 HB1 ALA 14 5.463 -4.326 -15.553
98 HB2 ALA 14 HB2 ALA 14 3.842 -3.687 -15.277
99 HB3 ALA 14 HB3 ALA 14 4.892 -2.938 -16.481
100 H ASP 15 H ASP 15 7.493 -3.566 -13.489
101 HA ASP 15 HA ASP 15 6.303 -5.210 -11.515
102 HB2 ASP 15 HB2 ASP 15 9.160 -4.260 -11.816
103 HB3 ASP 15 HB3 ASP 15 8.635 -5.512 -10.695
104 H CYS 16 H CYS 16 7.431 -1.920 -11.520
105 HA CYS 16 HA CYS 16 6.915 -1.745 -8.625
106 HB2 CYS 16 HB2 CYS 16 8.419 0.331 -10.196
107 HB3 CYS 16 HB3 CYS 16 8.467 0.009 -8.466
108 H CYS 17 H CYS 17 6.218 0.582 -8.000
109 HA CYS 17 HA CYS 17 3.861 1.193 -9.608
110 HB2 CYS 17 HB2 CYS 17 3.180 2.562 -7.646
111 HB3 CYS 17 HB3 CYS 17 3.473 0.875 -7.239
112 H LYS 18 H LYS 18 3.253 3.623 -9.586
113 HA LYS 18 HA LYS 18 4.954 5.010 -11.254
114 HB2 LYS 18 HB2 LYS 18 3.639 7.030 -10.658
115 HB3 LYS 18 HB3 LYS 18 2.633 5.636 -11.034
116 HG2 LYS 18 HG2 LYS 18 2.735 5.293 -8.421
117 HG3 LYS 18 HG3 LYS 18 3.065 7.026 -8.447
118 HD2 LYS 18 HD2 LYS 18 1.013 7.181 -9.991
119 HD3 LYS 18 HD3 LYS 18 0.635 5.556 -9.415
120 HE2 LYS 18 HE2 LYS 18 -0.523 6.791 -7.882
121 HE3 LYS 18 HE3 LYS 18 1.032 6.675 -7.060
122 HZ1 LYS 18 HZ1 LYS 18 0.885 8.886 -6.950
123 HZ2 LYS 18 HZ2 LYS 18 -0.297 8.983 -8.155
124 HZ3 LYS 18 HZ3 LYS 18 1.337 8.880 -8.580
125 H HIS 19 H HIS 19 4.703 5.200 -7.728
126 HA HIS 19 HA HIS 19 6.402 7.329 -7.239
127 HB2 HIS 19 HB2 HIS 19 6.178 4.803 -5.588
128 HB3 HIS 19 HB3 HIS 19 6.755 6.367 -5.025
129 HD1 HIS 19 HD1 HIS 19 4.411 5.074 -3.593
130 HD2 HIS 19 HD2 HIS 19 3.974 7.693 -6.788
131 HE1 HIS 19 HE1 HIS 19 2.090 6.016 -3.377
132 H LEU 20 H LEU 20 7.164 4.039 -8.136
133 HA LEU 20 HA LEU 20 10.034 4.632 -7.895
134 HB2 LEU 20 HB2 LEU 20 8.752 1.944 -8.329
135 HB3 LEU 20 HB3 LEU 20 10.428 2.276 -7.898
136 HG LEU 20 HG LEU 20 8.333 3.185 -6.003
137 HD11 LEU 20 HD11 LEU 20 7.514 0.979 -6.604
138 HD12 LEU 20 HD12 LEU 20 8.198 0.964 -4.979
139 HD13 LEU 20 HD13 LEU 20 9.114 0.290 -6.327
140 HD21 LEU 20 HD21 LEU 20 11.155 2.754 -6.052
141 HD22 LEU 20 HD22 LEU 20 10.436 1.736 -4.803
142 HD23 LEU 20 HD23 LEU 20 10.163 3.479 -4.786
143 H GLY 21 H GLY 21 11.400 3.521 -9.623
144 HA2 GLY 21 HA2 GLY 21 10.065 3.442 -12.232
145 HA3 GLY 21 HA3 GLY 21 11.373 4.595 -12.007
146 H CYS 22 H CYS 22 10.539 1.194 -12.185
147 HA CYS 22 HA CYS 22 12.963 -0.016 -11.714
148 HB2 CYS 22 HB2 CYS 22 10.679 -1.058 -12.321
149 HB3 CYS 22 HB3 CYS 22 11.204 -0.893 -13.992
150 H ARG 23 H ARG 23 14.905 0.343 -12.538
151 HA ARG 23 HA ARG 23 15.172 1.588 -15.156
152 HB2 ARG 23 HB2 ARG 23 17.060 1.074 -12.874
153 HB3 ARG 23 HB3 ARG 23 17.666 1.529 -14.462
154 HG2 ARG 23 HG2 ARG 23 16.324 3.582 -14.371
155 HG3 ARG 23 HG3 ARG 23 15.768 3.129 -12.759
156 HD2 ARG 23 HD2 ARG 23 17.513 4.542 -12.254
157 HD3 ARG 23 HD3 ARG 23 18.318 2.973 -12.234
158 HE ARG 23 HE ARG 23 18.676 3.774 -14.776
159 HH11 ARG 23 HH11 ARG 23 19.201 5.356 -11.720
160 HH12 ARG 23 HH12 ARG 23 20.513 6.327 -12.299
161 HH21 ARG 23 HH21 ARG 23 20.402 5.048 -15.552
162 HH22 ARG 23 HH22 ARG 23 21.195 6.151 -14.479
163 H THR 24 H THR 24 16.267 0.696 -16.888
164 HA THR 24 HA THR 24 16.277 -2.192 -16.984
165 HB THR 24 HB THR 24 15.457 -0.786 -18.887
166 HG1 THR 24 HG1 THR 24 16.877 -2.046 -20.463
167 HG21 THR 24 HG21 THR 24 18.368 -0.297 -19.484
168 HG22 THR 24 HG22 THR 24 17.350 0.889 -18.668
169 HG23 THR 24 HG23 THR 24 16.959 0.371 -20.307
170 H ASP 25 H ASP 25 18.545 0.285 -16.376
171 HA ASP 25 HA ASP 25 20.838 -1.348 -17.137
172 HB2 ASP 25 HB2 ASP 25 20.704 1.167 -17.533
173 HB3 ASP 25 HB3 ASP 25 20.907 1.353 -15.794
174 H LEU 26 H LEU 26 19.293 -0.030 -14.248
175 HA LEU 26 HA LEU 26 21.228 -1.378 -12.531
176 HB2 LEU 26 HB2 LEU 26 19.009 0.579 -12.044
177 HB3 LEU 26 HB3 LEU 26 19.757 -0.304 -10.715
178 HG LEU 26 HG LEU 26 21.964 0.706 -11.821
179 HD11 LEU 26 HD11 LEU 26 20.657 3.204 -12.152
180 HD12 LEU 26 HD12 LEU 26 19.883 2.030 -13.216
181 HD13 LEU 26 HD13 LEU 26 21.622 2.300 -13.320
182 HD21 LEU 26 HD21 LEU 26 20.691 1.031 -9.504
183 HD22 LEU 26 HD22 LEU 26 20.437 2.641 -10.177
184 HD23 LEU 26 HD23 LEU 26 22.075 2.018 -9.972
185 H TYR 27 H TYR 27 17.888 -1.597 -13.544
186 HA TYR 27 HA TYR 27 16.316 -3.222 -13.297
187 HB2 TYR 27 HB2 TYR 27 18.873 -4.649 -12.925
188 HB3 TYR 27 HB3 TYR 27 17.457 -5.467 -12.276
189 HD1 TYR 27 HD1 TYR 27 17.651 -3.324 -15.305
190 HD2 TYR 27 HD2 TYR 27 17.180 -7.260 -13.761
191 HE1 TYR 27 HE1 TYR 27 17.093 -4.135 -17.559
192 HE2 TYR 27 HE2 TYR 27 16.622 -8.083 -16.011
193 HH TYR 27 HH TYR 27 16.681 -7.559 -18.229
194 H TYR 28 H TYR 28 16.101 -1.470 -11.384
195 HA TYR 28 HA TYR 28 15.156 -2.988 -9.140
196 HB2 TYR 28 HB2 TYR 28 16.593 -2.299 -7.473
197 HB3 TYR 28 HB3 TYR 28 17.716 -2.450 -8.818
198 HD1 TYR 28 HD1 TYR 28 17.670 -0.126 -10.325
199 HD2 TYR 28 HD2 TYR 28 16.984 -0.469 -6.140
200 HE1 TYR 28 HE1 TYR 28 18.348 2.218 -10.028
201 HE2 TYR 28 HE2 TYR 28 17.659 1.877 -5.831
202 HH TYR 28 HH TYR 28 19.335 3.536 -7.448
203 H CYS 29 H CYS 29 13.690 -1.847 -7.865
204 HA CYS 29 HA CYS 29 12.367 0.307 -9.141
205 HB2 CYS 29 HB2 CYS 29 12.058 -0.748 -6.321
206 HB3 CYS 29 HB3 CYS 29 10.935 0.340 -7.131
207 H ALA 30 H ALA 30 13.021 2.344 -9.194
208 HA ALA 30 HA ALA 30 14.721 3.370 -7.041
209 HB1 ALA 30 HB1 ALA 30 14.600 3.781 -9.882
210 HB2 ALA 30 HB2 ALA 30 14.479 5.323 -9.032
211 HB3 ALA 30 HB3 ALA 30 15.851 4.256 -8.735
212 H TRP 31 H TRP 31 13.451 4.052 -5.401
213 HA TRP 31 HA TRP 31 10.904 5.231 -5.709
214 HB2 TRP 31 HB2 TRP 31 11.649 4.133 -3.627
215 HB3 TRP 31 HB3 TRP 31 12.811 5.431 -3.369
216 HD1 TRP 31 HD1 TRP 31 11.641 7.967 -3.052
217 HE1 TRP 31 HE1 TRP 31 9.491 8.570 -1.771
218 HE3 TRP 31 HE3 TRP 31 9.451 3.350 -2.926
219 HZ2 TRP 31 HZ2 TRP 31 7.173 7.261 -0.832
220 HZ3 TRP 31 HZ3 TRP 31 7.267 3.110 -1.816
221 HH2 TRP 31 HH2 TRP 31 6.154 5.026 -0.792
222 H ASP 32 H ASP 32 10.558 7.107 -6.698
223 HA ASP 32 HA ASP 32 12.020 9.461 -5.813
224 HB2 ASP 32 HB2 ASP 32 13.195 8.461 -7.854
225 HB3 ASP 32 HB3 ASP 32 11.764 8.929 -8.770
226 H GLY 33 H GLY 33 9.655 8.363 -8.255
227 HA2 GLY 33 HA2 GLY 33 7.361 8.937 -8.245
228 HA3 GLY 33 HA3 GLY 33 7.721 10.260 -7.145
229 H THR 34 H THR 34 10.041 11.003 -8.948
230 HA THR 34 HA THR 34 8.467 12.252 -11.104
231 HB THR 34 HB THR 34 9.976 14.234 -10.916
232 HG1 THR 34 HG1 THR 34 11.594 14.157 -9.562
233 HG21 THR 34 HG21 THR 34 7.819 14.459 -9.949
234 HG22 THR 34 HG22 THR 34 8.960 15.076 -8.754
235 HG23 THR 34 HG23 THR 34 8.262 13.469 -8.559
236 H PHE 35 H PHE 35 9.397 12.369 -13.109
237 HA PHE 35 HA PHE 35 12.174 11.565 -13.454
238 HB2 PHE 35 HB2 PHE 35 9.823 10.028 -14.543
239 HB3 PHE 35 HB3 PHE 35 11.414 9.944 -15.289
240 HD1 PHE 35 HD1 PHE 35 13.289 9.764 -13.188
241 HD2 PHE 35 HD2 PHE 35 9.368 8.119 -13.369
242 HE1 PHE 35 HE1 PHE 35 13.951 8.022 -11.582
243 HE2 PHE 35 HE2 PHE 35 10.023 6.374 -11.763
244 HZ PHE 35 HZ PHE 35 12.317 6.324 -10.866
Start of MODEL 20
1 H1 SER 1 H SER 1 -1.431 1.118 -3.103
2 HA SER 1 HA SER 1 0.276 -0.064 -4.944
3 HB2 SER 1 HB2 SER 1 0.692 2.130 -2.922
4 HB3 SER 1 HB3 SER 1 1.992 1.616 -3.998
5 HG SER 1 HG SER 1 0.936 3.262 -5.023
6 H GLU 2 H GLU 2 0.956 -2.112 -4.526
7 HA GLU 2 HA GLU 2 2.454 -2.566 -2.034
8 HB2 GLU 2 HB2 GLU 2 1.994 -4.892 -2.256
9 HB3 GLU 2 HB3 GLU 2 0.479 -4.046 -2.534
10 HG2 GLU 2 HG2 GLU 2 0.818 -4.285 -4.960
11 HG3 GLU 2 HG3 GLU 2 2.291 -5.200 -4.642
12 H CYS 3 H CYS 3 3.347 -1.311 -4.638
13 HA CYS 3 HA CYS 3 4.994 -2.929 -6.137
14 HB2 CYS 3 HB2 CYS 3 6.422 -0.833 -6.420
15 HB3 CYS 3 HB3 CYS 3 4.720 -0.689 -6.848
16 H ARG 4 H ARG 4 7.369 -3.109 -6.117
17 HA ARG 4 HA ARG 4 8.268 -4.022 -3.545
18 HB2 ARG 4 HB2 ARG 4 9.970 -3.785 -6.019
19 HB3 ARG 4 HB3 ARG 4 10.145 -4.910 -4.678
20 HG2 ARG 4 HG2 ARG 4 8.166 -6.103 -5.360
21 HG3 ARG 4 HG3 ARG 4 7.856 -4.921 -6.632
22 HD2 ARG 4 HD2 ARG 4 8.957 -6.376 -7.941
23 HD3 ARG 4 HD3 ARG 4 10.398 -5.663 -7.216
24 HE ARG 4 HE ARG 4 10.778 -7.640 -6.137
25 HH11 ARG 4 HH11 ARG 4 7.466 -7.561 -7.209
26 HH12 ARG 4 HH12 ARG 4 7.144 -9.202 -6.757
27 HH21 ARG 4 HH21 ARG 4 10.366 -9.802 -5.538
28 HH22 ARG 4 HH22 ARG 4 8.794 -10.476 -5.806
29 H TYR 5 H TYR 5 9.556 -3.011 -2.129
30 HA TYR 5 HA TYR 5 10.043 -0.250 -2.321
31 HB2 TYR 5 HB2 TYR 5 10.653 -2.404 -0.416
32 HB3 TYR 5 HB3 TYR 5 11.813 -1.079 -0.404
33 HD1 TYR 5 HD1 TYR 5 8.888 -2.245 1.052
34 HD2 TYR 5 HD2 TYR 5 10.613 1.337 -0.464
35 HE1 TYR 5 HE1 TYR 5 7.353 -0.922 2.446
36 HE2 TYR 5 HE2 TYR 5 9.084 2.670 0.927
37 HH TYR 5 HH TYR 5 7.210 2.589 2.199
38 H LEU 6 H LEU 6 12.318 0.674 -1.946
39 HA LEU 6 HA LEU 6 13.821 0.565 -4.200
40 HB2 LEU 6 HB2 LEU 6 14.023 2.060 -2.099
41 HB3 LEU 6 HB3 LEU 6 15.187 0.855 -1.550
42 HG LEU 6 HG LEU 6 16.239 1.368 -3.947
43 HD11 LEU 6 HD11 LEU 6 14.357 3.551 -3.440
44 HD12 LEU 6 HD12 LEU 6 15.130 3.039 -4.940
45 HD13 LEU 6 HD13 LEU 6 15.999 4.077 -3.810
46 HD21 LEU 6 HD21 LEU 6 17.222 1.583 -1.619
47 HD22 LEU 6 HD22 LEU 6 16.686 3.263 -1.654
48 HD23 LEU 6 HD23 LEU 6 17.854 2.684 -2.844
49 H PHE 7 H PHE 7 15.348 -0.706 -5.095
50 HA PHE 7 HA PHE 7 16.638 -2.534 -5.496
51 HB2 PHE 7 HB2 PHE 7 17.013 -2.350 -2.502
52 HB3 PHE 7 HB3 PHE 7 17.909 -3.465 -3.529
53 HD1 PHE 7 HD1 PHE 7 17.907 -0.280 -2.058
54 HD2 PHE 7 HD2 PHE 7 19.150 -2.364 -5.554
55 HE1 PHE 7 HE1 PHE 7 19.566 1.479 -2.511
56 HE2 PHE 7 HE2 PHE 7 20.812 -0.608 -6.014
57 HZ PHE 7 HZ PHE 7 21.021 1.317 -4.492
58 H GLY 8 H GLY 8 13.955 -3.045 -5.462
59 HA2 GLY 8 HA2 GLY 8 13.459 -5.379 -3.801
60 HA3 GLY 8 HA3 GLY 8 12.323 -4.626 -4.910
61 H GLY 9 H GLY 9 15.187 -4.979 -6.527
62 HA2 GLY 9 HA2 GLY 9 15.970 -6.467 -8.094
63 HA3 GLY 9 HA3 GLY 9 15.159 -7.736 -7.187
64 H CYS 10 H CYS 10 13.974 -4.893 -8.979
65 HA CYS 10 HA CYS 10 11.876 -6.505 -10.158
66 HB2 CYS 10 HB2 CYS 10 10.976 -4.445 -10.986
67 HB3 CYS 10 HB3 CYS 10 11.510 -4.159 -9.333
68 H LYS 11 H LYS 11 11.431 -5.887 -12.596
69 HA LYS 11 HA LYS 11 13.954 -6.136 -14.091
70 HB2 LYS 11 HB2 LYS 11 11.454 -7.788 -14.307
71 HB3 LYS 11 HB3 LYS 11 12.534 -7.610 -15.684
72 HG2 LYS 11 HG2 LYS 11 14.326 -8.313 -13.836
73 HG3 LYS 11 HG3 LYS 11 12.900 -9.103 -13.161
74 HD2 LYS 11 HD2 LYS 11 13.367 -9.444 -16.065
75 HD3 LYS 11 HD3 LYS 11 14.490 -10.264 -14.977
76 HE2 LYS 11 HE2 LYS 11 12.679 -11.756 -15.505
77 HE3 LYS 11 HE3 LYS 11 12.551 -11.276 -13.814
78 HZ1 LYS 11 HZ1 LYS 11 11.073 -9.772 -15.864
79 HZ2 LYS 11 HZ2 LYS 11 10.712 -9.988 -14.226
80 HZ3 LYS 11 HZ3 LYS 11 10.463 -11.254 -15.321
81 H THR 12 H THR 12 10.591 -5.117 -14.073
82 HA THR 12 HA THR 12 11.224 -3.210 -16.214
83 HB THR 12 HB THR 12 8.910 -3.550 -17.133
84 HG1 THR 12 HG1 THR 12 8.241 -4.749 -15.147
85 HG21 THR 12 HG21 THR 12 11.153 -4.695 -17.903
86 HG22 THR 12 HG22 THR 12 9.610 -5.166 -18.613
87 HG23 THR 12 HG23 THR 12 10.340 -6.159 -17.352
88 H THR 13 H THR 13 9.603 -1.432 -16.346
89 HA THR 13 HA THR 13 9.290 -0.164 -13.878
90 HB THR 13 HB THR 13 7.488 0.532 -16.167
91 HG1 THR 13 HG1 THR 13 9.199 1.428 -17.273
92 HG21 THR 13 HG21 THR 13 8.512 1.800 -13.778
93 HG22 THR 13 HG22 THR 13 7.202 2.307 -14.845
94 HG23 THR 13 HG23 THR 13 8.867 2.761 -15.214
95 H ALA 14 H ALA 14 7.100 -2.207 -15.707
96 HA ALA 14 HA ALA 14 4.729 -1.650 -14.308
97 HB1 ALA 14 HB1 ALA 14 5.363 -4.351 -15.448
98 HB2 ALA 14 HB2 ALA 14 3.809 -3.518 -15.364
99 HB3 ALA 14 HB3 ALA 14 5.050 -2.960 -16.486
100 H ASP 15 H ASP 15 7.502 -3.556 -13.485
101 HA ASP 15 HA ASP 15 6.309 -5.218 -11.529
102 HB2 ASP 15 HB2 ASP 15 9.170 -4.266 -11.786
103 HB3 ASP 15 HB3 ASP 15 8.628 -5.562 -10.724
104 H CYS 16 H CYS 16 7.435 -1.929 -11.500
105 HA CYS 16 HA CYS 16 6.926 -1.784 -8.603
106 HB2 CYS 16 HB2 CYS 16 8.431 0.301 -10.163
107 HB3 CYS 16 HB3 CYS 16 8.473 -0.021 -8.433
108 H CYS 17 H CYS 17 6.234 0.541 -7.955
109 HA CYS 17 HA CYS 17 3.864 1.158 -9.539
110 HB2 CYS 17 HB2 CYS 17 3.221 2.543 -7.569
111 HB3 CYS 17 HB3 CYS 17 3.493 0.849 -7.173
112 H LYS 18 H LYS 18 3.259 3.586 -9.525
113 HA LYS 18 HA LYS 18 4.949 4.967 -11.209
114 HB2 LYS 18 HB2 LYS 18 3.633 6.990 -10.604
115 HB3 LYS 18 HB3 LYS 18 2.634 5.597 -10.990
116 HG2 LYS 18 HG2 LYS 18 2.684 5.220 -8.402
117 HG3 LYS 18 HG3 LYS 18 3.088 6.939 -8.371
118 HD2 LYS 18 HD2 LYS 18 1.068 7.520 -9.476
119 HD3 LYS 18 HD3 LYS 18 0.722 5.835 -9.873
120 HE2 LYS 18 HE2 LYS 18 0.589 5.394 -7.400
121 HE3 LYS 18 HE3 LYS 18 0.675 7.138 -7.156
122 HZ1 LYS 18 HZ1 LYS 18 -1.614 6.192 -7.190
123 HZ2 LYS 18 HZ2 LYS 18 -1.393 5.823 -8.826
124 HZ3 LYS 18 HZ3 LYS 18 -1.359 7.433 -8.310
125 H HIS 19 H HIS 19 4.697 5.203 -7.683
126 HA HIS 19 HA HIS 19 6.408 7.325 -7.224
127 HB2 HIS 19 HB2 HIS 19 6.060 4.820 -5.564
128 HB3 HIS 19 HB3 HIS 19 6.815 6.308 -5.000
129 HD1 HIS 19 HD1 HIS 19 5.300 7.945 -3.915
130 HD2 HIS 19 HD2 HIS 19 3.227 5.242 -6.292
131 HE1 HIS 19 HE1 HIS 19 2.864 8.444 -3.534
132 H LEU 20 H LEU 20 7.150 4.018 -8.071
133 HA LEU 20 HA LEU 20 10.022 4.569 -7.794
134 HB2 LEU 20 HB2 LEU 20 8.669 1.924 -8.292
135 HB3 LEU 20 HB3 LEU 20 10.365 2.190 -7.891
136 HG LEU 20 HG LEU 20 8.289 3.082 -5.949
137 HD11 LEU 20 HD11 LEU 20 7.522 0.864 -6.534
138 HD12 LEU 20 HD12 LEU 20 8.265 0.842 -4.935
139 HD13 LEU 20 HD13 LEU 20 9.151 0.218 -6.326
140 HD21 LEU 20 HD21 LEU 20 10.198 3.523 -4.886
141 HD22 LEU 20 HD22 LEU 20 11.147 2.572 -6.029
142 HD23 LEU 20 HD23 LEU 20 10.357 1.780 -4.665
143 H GLY 21 H GLY 21 11.402 3.472 -9.523
144 HA2 GLY 21 HA2 GLY 21 10.120 3.479 -12.159
145 HA3 GLY 21 HA3 GLY 21 11.438 4.609 -11.880
146 H CYS 22 H CYS 22 10.566 1.220 -12.128
147 HA CYS 22 HA CYS 22 12.981 -0.015 -11.656
148 HB2 CYS 22 HB2 CYS 22 10.693 -1.037 -12.271
149 HB3 CYS 22 HB3 CYS 22 11.216 -0.858 -13.943
150 H ARG 23 H ARG 23 14.927 0.336 -12.475
151 HA ARG 23 HA ARG 23 15.212 1.613 -15.072
152 HB2 ARG 23 HB2 ARG 23 17.047 1.070 -12.768
153 HB3 ARG 23 HB3 ARG 23 17.724 1.426 -14.351
154 HG2 ARG 23 HG2 ARG 23 16.225 3.504 -14.311
155 HG3 ARG 23 HG3 ARG 23 16.062 3.180 -12.584
156 HD2 ARG 23 HD2 ARG 23 17.848 4.751 -12.907
157 HD3 ARG 23 HD3 ARG 23 18.535 3.209 -12.399
158 HE ARG 23 HE ARG 23 18.687 3.048 -15.076
159 HH11 ARG 23 HH11 ARG 23 19.630 5.526 -12.819
160 HH12 ARG 23 HH12 ARG 23 20.940 6.101 -13.797
161 HH21 ARG 23 HH21 ARG 23 20.410 3.796 -16.372
162 HH22 ARG 23 HH22 ARG 23 21.382 5.116 -15.818
163 H THR 24 H THR 24 16.259 0.731 -16.830
164 HA THR 24 HA THR 24 16.232 -2.154 -16.973
165 HB THR 24 HB THR 24 16.603 -1.916 -19.325
166 HG1 THR 24 HG1 THR 24 18.174 -0.358 -19.457
167 HG21 THR 24 HG21 THR 24 14.955 0.436 -19.299
168 HG22 THR 24 HG22 THR 24 14.490 -0.637 -17.978
169 HG23 THR 24 HG23 THR 24 14.505 -1.234 -19.638
170 H ASP 25 H ASP 25 18.536 0.276 -16.338
171 HA ASP 25 HA ASP 25 20.796 -1.387 -17.145
172 HB2 ASP 25 HB2 ASP 25 20.963 0.971 -17.683
173 HB3 ASP 25 HB3 ASP 25 20.669 1.411 -16.004
174 H LEU 26 H LEU 26 19.320 -0.027 -14.237
175 HA LEU 26 HA LEU 26 21.253 -1.400 -12.541
176 HB2 LEU 26 HB2 LEU 26 19.068 0.589 -12.048
177 HB3 LEU 26 HB3 LEU 26 19.785 -0.314 -10.716
178 HG LEU 26 HG LEU 26 22.026 0.642 -11.762
179 HD11 LEU 26 HD11 LEU 26 20.529 3.102 -12.214
180 HD12 LEU 26 HD12 LEU 26 20.210 1.853 -13.417
181 HD13 LEU 26 HD13 LEU 26 21.861 2.397 -13.131
182 HD21 LEU 26 HD21 LEU 26 20.734 1.034 -9.491
183 HD22 LEU 26 HD22 LEU 26 20.453 2.624 -10.203
184 HD23 LEU 26 HD23 LEU 26 22.101 2.043 -9.963
185 H TYR 27 H TYR 27 17.911 -1.607 -13.538
186 HA TYR 27 HA TYR 27 16.331 -3.223 -13.276
187 HB2 TYR 27 HB2 TYR 27 18.882 -4.660 -12.887
188 HB3 TYR 27 HB3 TYR 27 17.458 -5.465 -12.237
189 HD1 TYR 27 HD1 TYR 27 17.633 -3.335 -15.273
190 HD2 TYR 27 HD2 TYR 27 17.221 -7.275 -13.720
191 HE1 TYR 27 HE1 TYR 27 17.078 -4.159 -17.523
192 HE2 TYR 27 HE2 TYR 27 16.667 -8.109 -15.966
193 HH TYR 27 HH TYR 27 17.334 -6.744 -18.652
194 H TYR 28 H TYR 28 16.126 -1.453 -11.377
195 HA TYR 28 HA TYR 28 15.183 -2.951 -9.116
196 HB2 TYR 28 HB2 TYR 28 16.619 -2.240 -7.460
197 HB3 TYR 28 HB3 TYR 28 17.741 -2.399 -8.807
198 HD1 TYR 28 HD1 TYR 28 17.724 -0.102 -10.329
199 HD2 TYR 28 HD2 TYR 28 16.963 -0.383 -6.152
200 HE1 TYR 28 HE1 TYR 28 18.390 2.249 -10.055
201 HE2 TYR 28 HE2 TYR 28 17.626 1.968 -5.867
202 HH TYR 28 HH TYR 28 18.709 3.919 -8.633
203 H CYS 29 H CYS 29 13.688 -1.818 -7.885
204 HA CYS 29 HA CYS 29 12.353 0.310 -9.172
205 HB2 CYS 29 HB2 CYS 29 12.086 -0.673 -6.323
206 HB3 CYS 29 HB3 CYS 29 10.942 0.379 -7.151
207 H ALA 30 H ALA 30 12.989 2.351 -9.281
208 HA ALA 30 HA ALA 30 14.735 3.435 -7.198
209 HB1 ALA 30 HB1 ALA 30 15.332 3.620 -9.633
210 HB2 ALA 30 HB2 ALA 30 13.980 4.741 -9.804
211 HB3 ALA 30 HB3 ALA 30 15.329 5.140 -8.740
212 H TRP 31 H TRP 31 13.509 4.099 -5.514
213 HA TRP 31 HA TRP 31 10.940 5.267 -5.762
214 HB2 TRP 31 HB2 TRP 31 11.721 4.121 -3.715
215 HB3 TRP 31 HB3 TRP 31 12.877 5.421 -3.442
216 HD1 TRP 31 HD1 TRP 31 11.697 7.939 -3.048
217 HE1 TRP 31 HE1 TRP 31 9.556 8.500 -1.733
218 HE3 TRP 31 HE3 TRP 31 9.531 3.309 -3.016
219 HZ2 TRP 31 HZ2 TRP 31 7.254 7.156 -0.805
220 HZ3 TRP 31 HZ3 TRP 31 7.359 3.030 -1.892
221 HH2 TRP 31 HH2 TRP 31 6.246 4.916 -0.810
222 H ASP 32 H ASP 32 10.614 7.154 -6.744
223 HA ASP 32 HA ASP 32 12.058 9.496 -5.803
224 HB2 ASP 32 HB2 ASP 32 13.328 8.613 -7.785
225 HB3 ASP 32 HB3 ASP 32 11.889 8.899 -8.761
226 H GLY 33 H GLY 33 9.735 8.427 -8.297
227 HA2 GLY 33 HA2 GLY 33 7.450 9.001 -8.355
228 HA3 GLY 33 HA3 GLY 33 7.761 10.271 -7.181
229 H THR 34 H THR 34 10.129 11.124 -8.868
230 HA THR 34 HA THR 34 8.569 12.801 -10.694
231 HB THR 34 HB THR 34 10.815 14.063 -10.864
232 HG1 THR 34 HG1 THR 34 12.386 13.411 -9.596
233 HG21 THR 34 HG21 THR 34 9.685 14.125 -8.091
234 HG22 THR 34 HG22 THR 34 8.688 14.606 -9.464
235 HG23 THR 34 HG23 THR 34 10.191 15.462 -9.123
236 H PHE 35 H PHE 35 8.529 12.339 -12.785
237 HA PHE 35 HA PHE 35 10.900 11.146 -14.033
238 HB2 PHE 35 HB2 PHE 35 8.063 10.145 -14.324
239 HB3 PHE 35 HB3 PHE 35 9.387 9.663 -15.378
240 HD1 PHE 35 HD1 PHE 35 10.748 7.871 -14.809
241 HD2 PHE 35 HD2 PHE 35 8.330 9.697 -11.819
242 HE1 PHE 35 HE1 PHE 35 11.351 6.081 -13.232
243 HE2 PHE 35 HE2 PHE 35 8.930 7.911 -10.237
244 HZ PHE 35 HZ PHE 35 10.442 6.099 -10.943
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