Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599096 | 2n8h RC | 26674 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -15.396 5.841 -2.232
2 H2 GLY 1 2HT GLY 1 -15.698 6.411 -3.796
3 H3 GLY 1 3HT GLY 1 -15.091 7.460 -2.618
4 HA2 GLY 1 1HA GLY 1 -13.667 5.118 -3.759
5 HA3 GLY 1 2HA GLY 1 -13.349 6.800 -4.158
6 H TRP 2 H TRP 2 -12.759 4.231 -1.981
7 HA TRP 2 HA TRP 2 -11.422 5.953 -0.028
8 HB2 TRP 2 2HB TRP 2 -12.012 2.982 -0.001
9 HB3 TRP 2 1HB TRP 2 -11.140 3.828 1.272
10 HD1 TRP 2 HD TRP 2 -12.553 5.443 2.873
11 HE1 TRP 2 1HE TRP 2 -15.068 5.573 3.396
12 HE3 TRP 2 3HE TRP 2 -14.357 2.687 -1.050
13 HZ2 TRP 2 2HZ TRP 2 -17.491 4.639 2.300
14 HZ3 TRP 2 3HZ TRP 2 -16.787 2.356 -1.234
15 HH2 TRP 2 HH TRP 2 -18.320 3.312 0.408
16 H CYS 3 H CYS 3 -9.246 5.488 0.667
17 HA CYS 3 HA CYS 3 -7.582 4.150 -1.362
18 HB2 CYS 3 2HB CYS 3 -7.391 6.591 -1.608
19 HB3 CYS 3 1HB CYS 3 -6.940 6.733 0.085
20 H GLY 4 H GLY 4 -5.574 3.281 -0.593
21 HA2 GLY 4 2HA GLY 4 -5.794 2.218 2.107
22 HA3 GLY 4 1HA GLY 4 -4.650 1.714 0.873
23 H ASP 5 H ASP 5 -4.701 2.862 3.819
24 HA ASP 5 HA ASP 5 -2.774 5.029 3.584
25 HB2 ASP 5 2HB ASP 5 -4.208 3.742 5.902
26 HB3 ASP 5 1HB ASP 5 -2.905 4.896 6.152
27 HA HYP 6 HA HYP 6 1.015 2.719 4.052
28 HB2 HYP 6 2HB HYP 6 2.221 4.127 6.159
29 HB3 HYP 6 1HB HYP 6 2.355 4.525 4.435
30 HG HYP 6 2HG HYP 6 0.611 5.737 6.523
31 HD22 HYP 6 1HD HYP 6 -0.233 5.802 3.639
32 HD23 HYP 6 2HD HYP 6 -1.222 5.955 5.105
33 HD1 HYP 6 1HG HYP 6 2.193 7.038 5.583
34 H GLY 7 H GLY 7 1.469 0.858 5.007
35 HA2 GLY 7 2HA GLY 7 2.022 -0.371 7.045
36 HA3 GLY 7 1HA GLY 7 0.682 0.454 7.826
37 H ALA 8 H ALA 8 -0.420 -0.206 4.828
38 HA ALA 8 HA ALA 8 -1.837 -2.605 5.718
39 HB1 ALA 8 1HB ALA 8 -2.352 -0.815 3.341
40 HB2 ALA 8 2HB ALA 8 -3.170 -0.719 4.900
41 HB3 ALA 8 3HB ALA 8 -3.378 -2.144 3.882
42 H THR 9 H THR 9 -2.057 -4.454 4.359
43 HA THR 9 HA THR 9 0.364 -5.118 2.944
44 HB THR 9 HB THR 9 -0.529 -6.818 4.388
45 HG1 THR 9 1HG THR 9 -0.757 -8.543 2.802
46 HG21 THR 9 3HG2 THR 9 -2.678 -7.961 3.918
47 HG22 THR 9 1HG2 THR 9 -3.032 -6.737 2.698
48 HG23 THR 9 2HG2 THR 9 -2.890 -6.277 4.394
49 H CYS 10 H CYS 10 0.718 -4.920 0.849
50 HA CYS 10 HA CYS 10 -1.579 -4.597 -0.970
51 HB2 CYS 10 2HB CYS 10 -0.080 -2.627 -0.782
52 HB3 CYS 10 1HB CYS 10 1.262 -3.619 -1.339
53 H GLY 11 H GLY 11 -1.840 -5.954 -2.639
54 HA2 GLY 11 2HA GLY 11 -0.368 -7.226 -4.361
55 HA3 GLY 11 1HA GLY 11 0.112 -8.132 -2.935
56 H LYS 12 H LYS 12 -1.748 -9.068 -1.654
57 HA LYS 12 HA LYS 12 -3.583 -10.377 -3.523
58 HB2 LYS 12 2HB LYS 12 -2.659 -11.067 -0.740
59 HB3 LYS 12 1HB LYS 12 -3.993 -11.905 -1.517
60 HG2 LYS 12 2HG LYS 12 -2.512 -12.617 -3.318
61 HG3 LYS 12 1HG LYS 12 -1.170 -11.758 -2.559
62 HD2 LYS 12 2HD LYS 12 -1.380 -13.191 -0.580
63 HD3 LYS 12 1HD LYS 12 -2.715 -14.053 -1.350
64 HE2 LYS 12 2HE LYS 12 -1.216 -14.766 -3.146
65 HE3 LYS 12 1HE LYS 12 0.116 -13.897 -2.385
66 HZ1 LYS 12 3HZ LYS 12 -1.367 -16.177 -1.190
67 HZ2 LYS 12 1HZ LYS 12 -0.085 -15.346 -0.462
68 HZ3 LYS 12 2HZ LYS 12 0.182 -16.254 -1.864
69 H LEU 13 H LEU 13 -3.595 -7.944 -1.145
70 HA LEU 13 HA LEU 13 -6.420 -8.274 -0.478
71 HB2 LEU 13 2HB LEU 13 -4.506 -7.630 1.158
72 HB3 LEU 13 1HB LEU 13 -4.663 -6.028 0.468
73 HG LEU 13 HG LEU 13 -7.215 -6.378 1.112
74 HD11 LEU 13 1HD1 LEU 13 -6.953 -8.666 1.902
75 HD12 LEU 13 2HD1 LEU 13 -7.440 -7.597 3.218
76 HD13 LEU 13 3HD1 LEU 13 -5.764 -8.129 3.091
77 HD21 LEU 13 3HD2 LEU 13 -5.059 -5.660 3.093
78 HD22 LEU 13 1HD2 LEU 13 -6.765 -5.232 3.223
79 HD23 LEU 13 2HD2 LEU 13 -5.788 -4.574 1.910
80 H ARG 14 H ARG 14 -7.817 -6.299 -0.537
81 HA ARG 14 HA ARG 14 -7.797 -5.157 -3.178
82 HB2 ARG 14 2HB ARG 14 -9.677 -4.958 -0.828
83 HB3 ARG 14 1HB ARG 14 -9.915 -4.007 -2.286
84 HG2 ARG 14 2HG ARG 14 -10.054 -6.069 -3.603
85 HG3 ARG 14 1HG ARG 14 -9.838 -7.014 -2.127
86 HD2 ARG 14 2HD ARG 14 -11.892 -6.059 -1.212
87 HD3 ARG 14 1HD ARG 14 -12.104 -5.099 -2.676
88 HE ARG 14 HE ARG 14 -11.895 -7.832 -3.345
89 HH11 ARG 14 1HH1 ARG 14 -14.171 -5.589 -1.887
90 HH12 ARG 14 2HH1 ARG 14 -15.558 -6.511 -2.361
91 HH21 ARG 14 1HH2 ARG 14 -13.726 -9.020 -3.957
92 HH22 ARG 14 2HH2 ARG 14 -15.305 -8.450 -3.532
93 H LEU 15 H LEU 15 -8.705 -2.665 -3.089
94 HA LEU 15 HA LEU 15 -8.235 -0.465 -2.865
95 HB2 LEU 15 2HB LEU 15 -7.266 -1.473 -0.243
96 HB3 LEU 15 1HB LEU 15 -6.720 0.117 -0.737
97 HG LEU 15 HG LEU 15 -9.648 -0.549 -0.754
98 HD11 LEU 15 1HD1 LEU 15 -8.932 -1.152 1.462
99 HD12 LEU 15 2HD1 LEU 15 -9.769 0.401 1.530
100 HD13 LEU 15 3HD1 LEU 15 -8.007 0.343 1.610
101 HD21 LEU 15 3HD2 LEU 15 -8.958 1.513 -1.842
102 HD22 LEU 15 1HD2 LEU 15 -8.086 2.008 -0.390
103 HD23 LEU 15 2HD2 LEU 15 -9.844 1.870 -0.360
104 H TYR 16 H TYR 16 -6.724 1.015 -3.499
105 HA TYR 16 HA TYR 16 -4.109 -0.100 -4.262
106 HB2 TYR 16 2HB TYR 16 -5.800 2.071 -5.513
107 HB3 TYR 16 1HB TYR 16 -4.125 1.782 -5.970
108 HD1 TYR 16 2HD TYR 16 -3.504 -0.206 -7.229
109 HD2 TYR 16 1HD TYR 16 -7.551 0.502 -6.124
110 HE1 TYR 16 2HE TYR 16 -4.235 -1.921 -8.832
111 HE2 TYR 16 1HE TYR 16 -8.293 -1.213 -7.724
112 HH TYR 16 HH TYR 16 -6.163 -3.406 -9.188
113 H CYS 17 H CYS 17 -2.361 1.626 -4.491
114 HA CYS 17 HA CYS 17 -2.096 3.002 -1.965
115 HB2 CYS 17 2HB CYS 17 -0.334 1.870 -3.874
116 HB3 CYS 17 1HB CYS 17 0.063 3.579 -3.755
117 H CYS 18 H CYS 18 -2.059 5.158 -1.592
118 HA CYS 18 HA CYS 18 -3.405 6.922 -3.340
119 HB2 CYS 18 2HB CYS 18 -2.043 7.140 -0.714
120 HB3 CYS 18 1HB CYS 18 -2.267 8.635 -1.614
121 H SER 19 H SER 19 0.017 6.367 -2.727
122 HA SER 19 HA SER 19 0.811 8.574 -4.467
123 HB2 SER 19 2HB SER 19 2.484 6.618 -2.870
124 HB3 SER 19 1HB SER 19 3.113 7.991 -3.780
125 HG SER 19 HG SER 19 2.388 9.332 -2.293
126 H GLY 20 H GLY 20 0.554 5.099 -4.477
127 HA2 GLY 20 2HA GLY 20 0.363 3.820 -6.460
128 HA3 GLY 20 1HA GLY 20 1.253 5.065 -7.322
129 H PHE 21 H PHE 21 2.201 3.511 -4.276
130 HA PHE 21 HA PHE 21 4.276 1.997 -5.671
131 HB2 PHE 21 2HB PHE 21 5.479 3.990 -5.129
132 HB3 PHE 21 1HB PHE 21 4.802 4.048 -3.510
133 HD1 PHE 21 2HD PHE 21 6.818 1.657 -5.597
134 HD2 PHE 21 1HD PHE 21 6.225 3.498 -1.800
135 HE1 PHE 21 2HE PHE 21 8.782 0.466 -4.709
136 HE2 PHE 21 1HE PHE 21 8.187 2.309 -0.918
137 HZ PHE 21 HZ PHE 21 9.464 0.797 -2.368
138 H CYS 22 H CYS 22 4.037 -0.013 -5.099
139 HA CYS 22 HA CYS 22 3.334 -0.668 -2.316
140 HB2 CYS 22 2HB CYS 22 2.612 -2.002 -4.913
141 HB3 CYS 22 1HB CYS 22 2.618 -2.918 -3.409
142 H ASP 23 H ASP 23 4.925 -1.540 -1.176
143 HA ASP 23 HA ASP 23 7.360 -2.426 -2.443
144 HB2 ASP 23 2HB ASP 23 6.636 -1.415 0.101
145 HB3 ASP 23 1HB ASP 23 7.316 -3.020 0.366
146 H SER 24 H SER 24 7.801 -4.407 -3.067
147 HA SER 24 HA SER 24 6.055 -6.619 -2.362
148 HB2 SER 24 2HB SER 24 6.773 -6.179 -4.721
149 HB3 SER 24 1HB SER 24 8.417 -6.610 -4.252
150 HG SER 24 HG SER 24 7.301 -8.390 -5.145
151 H TYR 25 H TYR 25 8.897 -5.333 -1.126
152 HA TYR 25 HA TYR 25 10.263 -7.761 -0.420
153 HB2 TYR 25 2HB TYR 25 11.174 -5.303 -0.655
154 HB3 TYR 25 1HB TYR 25 10.697 -5.175 1.033
155 HD1 TYR 25 2HD TYR 25 13.015 -6.746 -1.329
156 HD2 TYR 25 1HD TYR 25 11.875 -6.418 2.757
157 HE1 TYR 25 2HE TYR 25 15.134 -7.799 -0.660
158 HE2 TYR 25 1HE TYR 25 13.992 -7.469 3.437
159 HH TYR 25 HH TYR 25 16.600 -7.897 1.309
160 H THR 26 H THR 26 7.649 -5.972 0.884
161 HA THR 26 HA THR 26 7.537 -7.749 3.215
162 HB THR 26 HB THR 26 6.678 -5.795 4.585
163 HG1 THR 26 1HG THR 26 7.443 -3.716 3.812
164 HG21 THR 26 3HG2 THR 26 9.555 -5.686 3.666
165 HG22 THR 26 1HG2 THR 26 8.911 -6.721 4.942
166 HG23 THR 26 2HG2 THR 26 8.922 -4.970 5.149
167 H LYS 27 H LYS 27 6.072 -6.602 0.500
168 HA LYS 27 HA LYS 27 3.994 -6.605 -0.398
169 HB2 LYS 27 2HB LYS 27 3.561 -8.608 1.822
170 HB3 LYS 27 1HB LYS 27 2.318 -8.231 0.639
171 HG2 LYS 27 2HG LYS 27 3.802 -8.967 -1.158
172 HG3 LYS 27 1HG LYS 27 5.051 -9.345 0.030
173 HD2 LYS 27 2HD LYS 27 3.562 -10.988 1.069
174 HD3 LYS 27 1HD LYS 27 2.313 -10.608 -0.117
175 HE2 LYS 27 2HE LYS 27 3.799 -11.356 -1.914
176 HE3 LYS 27 1HE LYS 27 5.043 -11.739 -0.725
177 HZ1 LYS 27 3HZ LYS 27 3.556 -13.373 0.252
178 HZ2 LYS 27 1HZ LYS 27 3.813 -13.708 -1.386
179 HZ3 LYS 27 2HZ LYS 27 2.359 -13.003 -0.885
180 H THR 28 H THR 28 4.373 -4.358 0.868
181 HA THR 28 HA THR 28 1.760 -3.736 2.055
182 HB THR 28 HB THR 28 2.943 -2.169 3.680
183 HG1 THR 28 1HG THR 28 5.060 -2.845 2.424
184 HG21 THR 28 3HG2 THR 28 3.258 -5.152 4.030
185 HG22 THR 28 1HG2 THR 28 1.855 -4.180 4.474
186 HG23 THR 28 2HG2 THR 28 3.382 -3.966 5.329
187 H CYS 29 H CYS 29 1.289 -1.408 2.094
188 HA CYS 29 HA CYS 29 2.163 -0.143 -0.365
189 HB2 CYS 29 2HB CYS 29 -0.192 -0.108 1.240
190 HB3 CYS 29 1HB CYS 29 0.414 1.541 1.135
191 H LYS 30 H LYS 30 3.653 1.397 -0.517
192 HA LYS 30 HA LYS 30 4.361 2.967 1.871
193 HB2 LYS 30 2HB LYS 30 6.264 1.548 0.005
194 HB3 LYS 30 1HB LYS 30 6.773 2.823 1.102
195 HG2 LYS 30 2HG LYS 30 5.779 1.372 2.959
196 HG3 LYS 30 1HG LYS 30 5.753 0.082 1.754
197 HD2 LYS 30 2HD LYS 30 8.160 0.346 1.416
198 HD3 LYS 30 1HD LYS 30 8.190 1.643 2.612
199 HE2 LYS 30 2HE LYS 30 7.429 0.074 4.329
200 HE3 LYS 30 1HE LYS 30 7.396 -1.221 3.132
201 HZ1 LYS 30 3HZ LYS 30 9.413 -1.294 4.451
202 HZ2 LYS 30 1HZ LYS 30 9.810 0.284 3.986
203 HZ3 LYS 30 2HZ LYS 30 9.781 -0.955 2.835
204 H ASP 31 H ASP 31 5.457 4.987 1.413
205 HA ASP 31 HA ASP 31 4.454 6.241 -1.015
206 HB2 ASP 31 2HB ASP 31 5.745 7.347 1.483
207 HB3 ASP 31 1HB ASP 31 5.339 8.349 0.093
208 H LYS 32 H LYS 32 5.707 7.201 -2.587
209 HA LYS 32 HA LYS 32 8.468 6.262 -2.747
210 HB2 LYS 32 2HB LYS 32 6.360 6.795 -4.642
211 HB3 LYS 32 1HB LYS 32 7.814 7.675 -5.088
212 HG2 LYS 32 2HG LYS 32 9.094 5.594 -5.029
213 HG3 LYS 32 1HG LYS 32 7.631 4.711 -4.584
214 HD2 LYS 32 2HD LYS 32 6.586 5.345 -6.690
215 HD3 LYS 32 1HD LYS 32 8.008 6.293 -7.129
216 HE2 LYS 32 2HE LYS 32 8.127 3.341 -6.555
217 HE3 LYS 32 1HE LYS 32 7.819 3.986 -8.166
218 HZ1 LYS 32 3HZ LYS 32 10.234 4.522 -6.521
219 HZ2 LYS 32 1HZ LYS 32 9.940 5.144 -8.067
220 HZ3 LYS 32 2HZ LYS 32 10.158 3.481 -7.852
221 H SER 33 H SER 33 10.231 7.600 -3.110
222 HA SER 33 HA SER 33 9.872 10.375 -2.233
223 HB2 SER 33 2HB SER 33 12.358 10.302 -1.864
224 HB3 SER 33 1HB SER 33 11.450 9.146 -0.892
225 HG SER 33 HG SER 33 12.123 8.027 -3.235
226 H SER 34 H SER 34 10.668 12.114 -3.371
227 HA SER 34 HA SER 34 11.199 11.619 -6.213
228 HB2 SER 34 2HB SER 34 10.654 14.058 -6.472
229 HB3 SER 34 1HB SER 34 9.326 13.086 -5.840
230 HG SER 34 HG SER 34 11.113 14.478 -4.148
231 H ALA 35 H ALA 35 13.046 12.211 -7.193
232 HA ALA 35 HA ALA 35 15.204 13.235 -5.492
233 HB1 ALA 35 1HB ALA 35 15.601 11.091 -6.608
234 HB2 ALA 35 2HB ALA 35 16.733 12.327 -7.159
235 HB3 ALA 35 3HB ALA 35 15.367 11.864 -8.176
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -15.589 3.685 -4.110
2 H2 GLY 1 2HT GLY 1 -15.502 4.846 -2.883
3 H3 GLY 1 3HT GLY 1 -15.086 3.239 -2.557
4 HA2 GLY 1 1HA GLY 1 -13.201 3.388 -4.062
5 HA3 GLY 1 2HA GLY 1 -13.631 5.057 -4.399
6 H TRP 2 H TRP 2 -12.243 2.847 -2.108
7 HA TRP 2 HA TRP 2 -11.637 4.997 -0.215
8 HB2 TRP 2 2HB TRP 2 -11.239 2.000 -0.030
9 HB3 TRP 2 1HB TRP 2 -10.758 3.140 1.219
10 HD1 TRP 2 HD TRP 2 -13.839 1.486 -0.300
11 HE1 TRP 2 1HE TRP 2 -15.852 1.881 1.252
12 HE3 TRP 2 3HE TRP 2 -11.718 4.802 2.980
13 HZ2 TRP 2 2HZ TRP 2 -16.465 3.390 3.553
14 HZ3 TRP 2 3HZ TRP 2 -13.093 5.670 4.826
15 HH2 TRP 2 HH TRP 2 -15.417 4.979 5.105
16 H CYS 3 H CYS 3 -9.468 5.296 0.583
17 HA CYS 3 HA CYS 3 -7.427 4.762 -1.469
18 HB2 CYS 3 2HB CYS 3 -8.056 7.169 -0.799
19 HB3 CYS 3 1HB CYS 3 -7.203 6.837 0.703
20 H GLY 4 H GLY 4 -5.378 4.015 -0.862
21 HA2 GLY 4 2HA GLY 4 -5.378 2.455 1.608
22 HA3 GLY 4 1HA GLY 4 -4.260 2.276 0.267
23 H ASP 5 H ASP 5 -4.492 3.167 3.391
24 HA ASP 5 HA ASP 5 -2.570 5.358 3.346
25 HB2 ASP 5 2HB ASP 5 -4.143 4.001 5.532
26 HB3 ASP 5 1HB ASP 5 -2.861 5.150 5.894
27 HA HYP 6 HA HYP 6 1.162 2.995 3.968
28 HB2 HYP 6 2HB HYP 6 2.296 4.360 6.133
29 HB3 HYP 6 1HB HYP 6 2.489 4.795 4.424
30 HG HYP 6 2HG HYP 6 0.677 5.966 6.477
31 HD22 HYP 6 1HD HYP 6 -0.055 6.117 3.567
32 HD23 HYP 6 2HD HYP 6 -1.101 6.227 4.998
33 HD1 HYP 6 1HG HYP 6 2.463 7.122 5.466
34 H GLY 7 H GLY 7 1.459 1.088 4.880
35 HA2 GLY 7 2HA GLY 7 1.934 -0.199 6.900
36 HA3 GLY 7 1HA GLY 7 0.632 0.680 7.687
37 H ALA 8 H ALA 8 -0.215 -0.075 4.528
38 HA ALA 8 HA ALA 8 -1.913 -2.286 5.437
39 HB1 ALA 8 1HB ALA 8 -2.110 -0.599 2.942
40 HB2 ALA 8 2HB ALA 8 -3.042 -0.366 4.420
41 HB3 ALA 8 3HB ALA 8 -3.266 -1.827 3.458
42 H THR 9 H THR 9 -2.159 -4.184 4.162
43 HA THR 9 HA THR 9 0.313 -5.063 2.920
44 HB THR 9 HB THR 9 -2.105 -6.825 3.013
45 HG1 THR 9 1HG THR 9 -1.174 -7.272 5.293
46 HG21 THR 9 3HG2 THR 9 0.821 -7.288 3.621
47 HG22 THR 9 1HG2 THR 9 0.003 -7.688 2.110
48 HG23 THR 9 2HG2 THR 9 -0.434 -8.527 3.598
49 H CYS 10 H CYS 10 0.693 -5.012 0.813
50 HA CYS 10 HA CYS 10 -1.565 -4.694 -1.051
51 HB2 CYS 10 2HB CYS 10 0.085 -2.847 -1.021
52 HB3 CYS 10 1HB CYS 10 1.352 -3.988 -1.456
53 H GLY 11 H GLY 11 -1.998 -6.232 -2.494
54 HA2 GLY 11 2HA GLY 11 -0.676 -7.742 -4.149
55 HA3 GLY 11 1HA GLY 11 -0.177 -8.532 -2.663
56 H LYS 12 H LYS 12 -2.379 -8.727 -1.175
57 HA LYS 12 HA LYS 12 -4.071 -10.520 -2.755
58 HB2 LYS 12 2HB LYS 12 -3.563 -10.253 0.201
59 HB3 LYS 12 1HB LYS 12 -4.881 -11.230 -0.431
60 HG2 LYS 12 2HG LYS 12 -3.269 -12.588 -1.679
61 HG3 LYS 12 1HG LYS 12 -1.952 -11.614 -1.025
62 HD2 LYS 12 2HD LYS 12 -2.566 -12.304 1.241
63 HD3 LYS 12 1HD LYS 12 -3.892 -13.270 0.589
64 HE2 LYS 12 2HE LYS 12 -2.280 -14.641 -0.643
65 HE3 LYS 12 1HE LYS 12 -0.959 -13.677 0.013
66 HZ1 LYS 12 3HZ LYS 12 -1.584 -14.402 2.233
67 HZ2 LYS 12 1HZ LYS 12 -1.247 -15.731 1.244
68 HZ3 LYS 12 2HZ LYS 12 -2.850 -15.328 1.602
69 H LEU 13 H LEU 13 -4.193 -7.455 -1.193
70 HA LEU 13 HA LEU 13 -7.104 -7.435 -1.008
71 HB2 LEU 13 2HB LEU 13 -4.990 -5.434 -0.224
72 HB3 LEU 13 1HB LEU 13 -6.706 -5.089 -0.130
73 HG LEU 13 HG LEU 13 -6.734 -7.291 1.335
74 HD11 LEU 13 1HD1 LEU 13 -4.711 -7.454 2.722
75 HD12 LEU 13 2HD1 LEU 13 -3.910 -6.289 1.668
76 HD13 LEU 13 3HD1 LEU 13 -4.399 -7.860 1.034
77 HD21 LEU 13 3HD2 LEU 13 -6.473 -5.886 3.327
78 HD22 LEU 13 1HD2 LEU 13 -7.452 -5.100 2.090
79 HD23 LEU 13 2HD2 LEU 13 -5.775 -4.612 2.328
80 H ARG 14 H ARG 14 -8.388 -5.775 -1.994
81 HA ARG 14 HA ARG 14 -7.540 -5.190 -4.714
82 HB2 ARG 14 2HB ARG 14 -10.180 -4.982 -3.274
83 HB3 ARG 14 1HB ARG 14 -9.951 -4.348 -4.897
84 HG2 ARG 14 2HG ARG 14 -9.387 -6.565 -5.711
85 HG3 ARG 14 1HG ARG 14 -9.532 -7.218 -4.080
86 HD2 ARG 14 2HD ARG 14 -11.561 -7.746 -5.156
87 HD3 ARG 14 1HD ARG 14 -11.923 -6.377 -4.106
88 HE ARG 14 HE ARG 14 -11.259 -5.375 -6.627
89 HH11 ARG 14 1HH1 ARG 14 -13.831 -7.279 -5.178
90 HH12 ARG 14 2HH1 ARG 14 -15.022 -6.747 -6.316
91 HH21 ARG 14 1HH2 ARG 14 -12.836 -4.693 -8.107
92 HH22 ARG 14 2HH2 ARG 14 -14.458 -5.285 -7.973
93 H LEU 15 H LEU 15 -7.265 -3.619 -1.816
94 HA LEU 15 HA LEU 15 -7.783 -0.929 -2.799
95 HB2 LEU 15 2HB LEU 15 -8.449 -1.554 -0.511
96 HB3 LEU 15 1HB LEU 15 -6.784 -1.903 -0.114
97 HG LEU 15 HG LEU 15 -6.247 0.519 -0.437
98 HD11 LEU 15 1HD1 LEU 15 -9.241 0.809 -0.671
99 HD12 LEU 15 2HD1 LEU 15 -8.047 1.182 -1.916
100 HD13 LEU 15 3HD1 LEU 15 -8.100 2.134 -0.433
101 HD21 LEU 15 3HD2 LEU 15 -6.611 -0.333 1.779
102 HD22 LEU 15 1HD2 LEU 15 -8.359 -0.187 1.590
103 HD23 LEU 15 2HD2 LEU 15 -7.354 1.261 1.649
104 H TYR 16 H TYR 16 -6.297 0.412 -3.564
105 HA TYR 16 HA TYR 16 -3.519 -0.487 -3.710
106 HB2 TYR 16 2HB TYR 16 -5.144 0.492 -5.639
107 HB3 TYR 16 1HB TYR 16 -4.359 1.981 -5.120
108 HD1 TYR 16 2HD TYR 16 -1.966 2.312 -5.467
109 HD2 TYR 16 1HD TYR 16 -3.889 -1.263 -6.740
110 HE1 TYR 16 2HE TYR 16 -0.009 1.757 -6.850
111 HE2 TYR 16 1HE TYR 16 -1.938 -1.827 -8.125
112 HH TYR 16 HH TYR 16 1.042 -0.235 -7.840
113 H CYS 17 H CYS 17 -1.849 1.353 -3.680
114 HA CYS 17 HA CYS 17 -1.986 2.647 -1.113
115 HB2 CYS 17 2HB CYS 17 0.184 2.933 -3.191
116 HB3 CYS 17 1HB CYS 17 0.314 3.210 -1.458
117 H CYS 18 H CYS 18 -2.153 4.783 -0.644
118 HA CYS 18 HA CYS 18 -3.551 6.524 -2.317
119 HB2 CYS 18 2HB CYS 18 -1.972 6.925 0.203
120 HB3 CYS 18 1HB CYS 18 -2.687 8.299 -0.632
121 H SER 19 H SER 19 -0.098 6.063 -1.961
122 HA SER 19 HA SER 19 0.539 8.430 -3.539
123 HB2 SER 19 2HB SER 19 2.915 7.721 -3.131
124 HB3 SER 19 1HB SER 19 1.991 8.028 -1.661
125 HG SER 19 HG SER 19 2.470 6.073 -1.102
126 H GLY 20 H GLY 20 0.302 4.969 -3.886
127 HA2 GLY 20 2HA GLY 20 -0.044 3.910 -5.976
128 HA3 GLY 20 1HA GLY 20 0.786 5.241 -6.763
129 H PHE 21 H PHE 21 1.969 3.423 -3.965
130 HA PHE 21 HA PHE 21 3.907 2.017 -5.641
131 HB2 PHE 21 2HB PHE 21 5.175 3.961 -5.090
132 HB3 PHE 21 1HB PHE 21 4.629 3.940 -3.422
133 HD1 PHE 21 2HD PHE 21 6.418 1.586 -5.748
134 HD2 PHE 21 1HD PHE 21 6.228 3.380 -1.889
135 HE1 PHE 21 2HE PHE 21 8.444 0.361 -5.076
136 HE2 PHE 21 1HE PHE 21 8.255 2.161 -1.222
137 HZ PHE 21 HZ PHE 21 9.359 0.652 -2.809
138 H CYS 22 H CYS 22 3.953 -0.026 -5.125
139 HA CYS 22 HA CYS 22 3.259 -0.867 -2.388
140 HB2 CYS 22 2HB CYS 22 2.747 -2.158 -5.061
141 HB3 CYS 22 1HB CYS 22 2.754 -3.110 -3.583
142 H ASP 23 H ASP 23 4.849 -1.749 -1.244
143 HA ASP 23 HA ASP 23 7.354 -2.455 -2.543
144 HB2 ASP 23 2HB ASP 23 6.637 -1.405 -0.010
145 HB3 ASP 23 1HB ASP 23 7.394 -2.969 0.282
146 H SER 24 H SER 24 7.827 -4.430 -3.153
147 HA SER 24 HA SER 24 6.181 -6.682 -2.376
148 HB2 SER 24 2HB SER 24 7.555 -7.909 -4.078
149 HB3 SER 24 1HB SER 24 6.723 -6.489 -4.711
150 HG SER 24 HG SER 24 9.337 -7.026 -4.712
151 H TYR 25 H TYR 25 8.958 -5.290 -1.127
152 HA TYR 25 HA TYR 25 10.434 -7.636 -0.402
153 HB2 TYR 25 2HB TYR 25 11.193 -5.124 -0.569
154 HB3 TYR 25 1HB TYR 25 10.661 -5.056 1.107
155 HD1 TYR 25 2HD TYR 25 11.857 -6.271 2.844
156 HD2 TYR 25 1HD TYR 25 13.149 -6.415 -1.207
157 HE1 TYR 25 2HE TYR 25 14.016 -7.197 3.572
158 HE2 TYR 25 1HE TYR 25 15.311 -7.343 -0.491
159 HH TYR 25 HH TYR 25 15.855 -8.537 2.637
160 H THR 26 H THR 26 7.761 -5.906 0.949
161 HA THR 26 HA THR 26 7.600 -7.825 3.159
162 HB THR 26 HB THR 26 6.794 -5.944 4.662
163 HG1 THR 26 1HG THR 26 8.193 -3.973 3.570
164 HG21 THR 26 3HG2 THR 26 9.059 -5.226 5.283
165 HG22 THR 26 1HG2 THR 26 9.677 -5.855 3.754
166 HG23 THR 26 2HG2 THR 26 9.000 -6.958 4.953
167 H LYS 27 H LYS 27 6.176 -6.531 0.514
168 HA LYS 27 HA LYS 27 4.097 -6.420 -0.383
169 HB2 LYS 27 2HB LYS 27 3.584 -8.474 1.773
170 HB3 LYS 27 1HB LYS 27 2.357 -8.010 0.603
171 HG2 LYS 27 2HG LYS 27 3.818 -8.745 -1.217
172 HG3 LYS 27 1HG LYS 27 5.042 -9.218 -0.038
173 HD2 LYS 27 2HD LYS 27 3.480 -10.829 0.937
174 HD3 LYS 27 1HD LYS 27 2.251 -10.351 -0.236
175 HE2 LYS 27 2HE LYS 27 3.703 -11.102 -2.058
176 HE3 LYS 27 1HE LYS 27 4.929 -11.579 -0.886
177 HZ1 LYS 27 3HZ LYS 27 2.196 -12.722 -1.091
178 HZ2 LYS 27 1HZ LYS 27 3.370 -13.178 0.038
179 HZ3 LYS 27 2HZ LYS 27 3.620 -13.472 -1.608
180 H THR 28 H THR 28 4.541 -4.222 0.904
181 HA THR 28 HA THR 28 1.993 -3.575 2.224
182 HB THR 28 HB THR 28 3.282 -2.019 3.770
183 HG1 THR 28 1HG THR 28 5.330 -1.976 3.073
184 HG21 THR 28 3HG2 THR 28 2.236 -4.072 4.580
185 HG22 THR 28 1HG2 THR 28 3.773 -3.790 5.398
186 HG23 THR 28 2HG2 THR 28 3.665 -4.996 4.115
187 H CYS 29 H CYS 29 1.535 -1.269 2.319
188 HA CYS 29 HA CYS 29 2.170 0.016 -0.192
189 HB2 CYS 29 2HB CYS 29 0.151 0.340 1.949
190 HB3 CYS 29 1HB CYS 29 0.599 1.801 1.084
191 H LYS 30 H LYS 30 3.653 1.532 -0.496
192 HA LYS 30 HA LYS 30 4.578 3.154 1.777
193 HB2 LYS 30 2HB LYS 30 6.332 1.636 -0.160
194 HB3 LYS 30 1HB LYS 30 6.929 2.936 0.862
195 HG2 LYS 30 2HG LYS 30 5.975 1.528 2.808
196 HG3 LYS 30 1HG LYS 30 5.980 0.210 1.633
197 HD2 LYS 30 2HD LYS 30 8.369 0.558 1.247
198 HD3 LYS 30 1HD LYS 30 8.367 1.881 2.415
199 HE2 LYS 30 2HE LYS 30 7.693 0.321 4.177
200 HE3 LYS 30 1HE LYS 30 7.697 -1.000 3.009
201 HZ1 LYS 30 3HZ LYS 30 9.734 -0.955 4.303
202 HZ2 LYS 30 1HZ LYS 30 10.060 0.624 3.786
203 HZ3 LYS 30 2HZ LYS 30 10.063 -0.650 2.673
204 H ASP 31 H ASP 31 5.718 5.122 1.127
205 HA ASP 31 HA ASP 31 4.516 6.303 -1.244
206 HB2 ASP 31 2HB ASP 31 6.095 7.469 1.052
207 HB3 ASP 31 1HB ASP 31 5.579 8.423 -0.335
208 H LYS 32 H LYS 32 5.629 7.152 -2.977
209 HA LYS 32 HA LYS 32 8.316 6.086 -3.392
210 HB2 LYS 32 2HB LYS 32 6.222 6.046 -5.035
211 HB3 LYS 32 1HB LYS 32 6.864 7.612 -5.507
212 HG2 LYS 32 2HG LYS 32 9.010 6.570 -6.049
213 HG3 LYS 32 1HG LYS 32 8.364 4.998 -5.574
214 HD2 LYS 32 2HD LYS 32 6.661 5.174 -7.331
215 HD3 LYS 32 1HD LYS 32 7.315 6.742 -7.805
216 HE2 LYS 32 2HE LYS 32 8.215 5.183 -9.329
217 HE3 LYS 32 1HE LYS 32 9.516 5.555 -8.199
218 HZ1 LYS 32 3HZ LYS 32 7.775 3.148 -8.101
219 HZ2 LYS 32 1HZ LYS 32 9.023 3.505 -7.014
220 HZ3 LYS 32 2HZ LYS 32 9.379 3.186 -8.637
221 H SER 33 H SER 33 10.115 7.306 -3.718
222 HA SER 33 HA SER 33 9.907 10.164 -3.095
223 HB2 SER 33 2HB SER 33 12.309 8.321 -3.051
224 HB3 SER 33 1HB SER 33 12.322 10.022 -2.591
225 HG SER 33 HG SER 33 11.945 8.135 -0.962
226 H SER 34 H SER 34 10.745 11.741 -4.398
227 HA SER 34 HA SER 34 11.810 10.917 -7.017
228 HB2 SER 34 2HB SER 34 9.407 11.645 -7.141
229 HB3 SER 34 1HB SER 34 9.914 13.235 -6.574
230 HG SER 34 HG SER 34 10.085 13.531 -8.675
231 H ALA 35 H ALA 35 13.391 12.209 -7.912
232 HA ALA 35 HA ALA 35 14.665 14.095 -6.063
233 HB1 ALA 35 1HB ALA 35 16.691 13.763 -7.375
234 HB2 ALA 35 2HB ALA 35 15.806 12.744 -8.510
235 HB3 ALA 35 3HB ALA 35 16.031 12.217 -6.842
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -12.893 5.581 -5.370
2 H2 GLY 1 2HT GLY 1 -14.091 6.574 -4.705
3 H3 GLY 1 3HT GLY 1 -14.522 5.302 -5.733
4 HA2 GLY 1 1HA GLY 1 -14.980 4.713 -3.443
5 HA3 GLY 1 2HA GLY 1 -13.735 3.682 -4.134
6 H TRP 2 H TRP 2 -12.972 3.177 -2.051
7 HA TRP 2 HA TRP 2 -11.784 5.346 -0.482
8 HB2 TRP 2 2HB TRP 2 -12.223 2.419 0.142
9 HB3 TRP 2 1HB TRP 2 -11.389 3.534 1.217
10 HD1 TRP 2 HD TRP 2 -12.847 5.085 2.723
11 HE1 TRP 2 1HE TRP 2 -15.376 5.327 3.128
12 HE3 TRP 2 3HE TRP 2 -14.582 2.230 -1.161
13 HZ2 TRP 2 2HZ TRP 2 -17.783 4.432 1.965
14 HZ3 TRP 2 3HZ TRP 2 -17.013 1.977 -1.439
15 HH2 TRP 2 HH TRP 2 -18.579 3.056 0.092
16 H CYS 3 H CYS 3 -9.610 5.373 0.124
17 HA CYS 3 HA CYS 3 -7.827 3.819 -1.630
18 HB2 CYS 3 2HB CYS 3 -7.821 6.318 -1.900
19 HB3 CYS 3 1HB CYS 3 -7.210 6.441 -0.254
20 H GLY 4 H GLY 4 -5.754 3.154 -0.753
21 HA2 GLY 4 2HA GLY 4 -6.027 2.168 1.972
22 HA3 GLY 4 1HA GLY 4 -4.798 1.699 0.810
23 H ASP 5 H ASP 5 -4.843 2.718 3.700
24 HA ASP 5 HA ASP 5 -3.217 5.127 3.523
25 HB2 ASP 5 2HB ASP 5 -4.365 3.563 5.836
26 HB3 ASP 5 1HB ASP 5 -3.251 4.906 6.070
27 HA HYP 6 HA HYP 6 0.827 3.241 3.859
28 HB2 HYP 6 2HB HYP 6 1.446 4.870 6.264
29 HB3 HYP 6 1HB HYP 6 2.289 4.796 4.704
30 HG HYP 6 2HG HYP 6 0.837 6.927 5.349
31 HD22 HYP 6 1HD HYP 6 -1.385 6.248 3.962
32 HD23 HYP 6 2HD HYP 6 -1.274 6.023 5.721
33 HD1 HYP 6 1HG HYP 6 1.225 7.272 3.286
34 H GLY 7 H GLY 7 1.540 1.389 4.684
35 HA2 GLY 7 2HA GLY 7 2.211 -0.033 6.488
36 HA3 GLY 7 1HA GLY 7 0.993 0.728 7.498
37 H ALA 8 H ALA 8 -0.160 0.052 4.394
38 HA ALA 8 HA ALA 8 -1.690 -2.238 5.399
39 HB1 ALA 8 1HB ALA 8 -2.970 -0.332 4.543
40 HB2 ALA 8 2HB ALA 8 -3.242 -1.780 3.574
41 HB3 ALA 8 3HB ALA 8 -2.180 -0.506 2.976
42 H THR 9 H THR 9 -1.999 -4.109 4.095
43 HA THR 9 HA THR 9 0.380 -4.952 2.701
44 HB THR 9 HB THR 9 -2.095 -6.635 2.708
45 HG1 THR 9 1HG THR 9 -1.043 -5.528 4.942
46 HG21 THR 9 3HG2 THR 9 0.820 -7.234 3.244
47 HG22 THR 9 1HG2 THR 9 -0.029 -7.508 1.723
48 HG23 THR 9 2HG2 THR 9 -0.476 -8.427 3.160
49 H CYS 10 H CYS 10 0.706 -5.119 0.561
50 HA CYS 10 HA CYS 10 -1.417 -4.202 -1.238
51 HB2 CYS 10 2HB CYS 10 0.784 -3.055 -1.313
52 HB3 CYS 10 1HB CYS 10 1.538 -4.574 -1.783
53 H GLY 11 H GLY 11 -2.475 -5.550 -2.525
54 HA2 GLY 11 2HA GLY 11 -1.244 -7.900 -3.655
55 HA3 GLY 11 1HA GLY 11 -2.457 -8.265 -2.440
56 H LYS 12 H LYS 12 -4.311 -8.820 -3.332
57 HA LYS 12 HA LYS 12 -5.253 -7.345 -5.704
58 HB2 LYS 12 2HB LYS 12 -5.424 -10.294 -5.107
59 HB3 LYS 12 1HB LYS 12 -6.468 -9.518 -6.290
60 HG2 LYS 12 2HG LYS 12 -4.507 -8.817 -7.566
61 HG3 LYS 12 1HG LYS 12 -3.457 -9.586 -6.375
62 HD2 LYS 12 2HD LYS 12 -4.472 -11.755 -6.887
63 HD3 LYS 12 1HD LYS 12 -5.520 -10.984 -8.078
64 HE2 LYS 12 2HE LYS 12 -3.553 -10.292 -9.357
65 HE3 LYS 12 1HE LYS 12 -2.506 -11.061 -8.166
66 HZ1 LYS 12 3HZ LYS 12 -2.834 -12.475 -10.092
67 HZ2 LYS 12 1HZ LYS 12 -4.510 -12.452 -9.859
68 HZ3 LYS 12 2HZ LYS 12 -3.507 -13.191 -8.716
69 H LEU 13 H LEU 13 -6.171 -9.096 -2.769
70 HA LEU 13 HA LEU 13 -8.932 -8.186 -2.954
71 HB2 LEU 13 2HB LEU 13 -7.498 -9.937 -0.960
72 HB3 LEU 13 1HB LEU 13 -9.182 -9.478 -0.804
73 HG LEU 13 HG LEU 13 -9.336 -10.528 -3.236
74 HD11 LEU 13 1HD1 LEU 13 -7.013 -12.001 -2.000
75 HD12 LEU 13 2HD1 LEU 13 -6.954 -10.993 -3.446
76 HD13 LEU 13 3HD1 LEU 13 -7.891 -12.487 -3.450
77 HD21 LEU 13 3HD2 LEU 13 -10.621 -11.257 -1.309
78 HD22 LEU 13 1HD2 LEU 13 -9.224 -12.133 -0.685
79 HD23 LEU 13 2HD2 LEU 13 -9.988 -12.649 -2.189
80 H ARG 14 H ARG 14 -6.027 -7.058 -1.648
81 HA ARG 14 HA ARG 14 -7.271 -5.560 0.528
82 HB2 ARG 14 2HB ARG 14 -4.406 -5.949 -0.342
83 HB3 ARG 14 1HB ARG 14 -4.858 -4.783 0.893
84 HG2 ARG 14 2HG ARG 14 -5.725 -7.623 1.186
85 HG3 ARG 14 1HG ARG 14 -4.058 -7.182 1.553
86 HD2 ARG 14 2HD ARG 14 -4.857 -5.505 3.151
87 HD3 ARG 14 1HD ARG 14 -6.524 -5.945 2.781
88 HE ARG 14 HE ARG 14 -5.108 -8.239 3.592
89 HH11 ARG 14 1HH1 ARG 14 -6.412 -5.281 4.965
90 HH12 ARG 14 2HH1 ARG 14 -6.626 -5.971 6.540
91 HH21 ARG 14 2HH2 ARG 14 -5.398 -9.120 5.660
92 HH22 ARG 14 1HH2 ARG 14 -6.051 -8.143 6.931
93 H LEU 15 H LEU 15 -6.458 -3.197 0.740
94 HA LEU 15 HA LEU 15 -7.389 -1.747 -1.548
95 HB2 LEU 15 2HB LEU 15 -6.574 -1.098 1.228
96 HB3 LEU 15 1HB LEU 15 -6.457 0.199 0.055
97 HG LEU 15 HG LEU 15 -9.018 -1.334 0.255
98 HD11 LEU 15 1HD1 LEU 15 -9.786 0.279 1.973
99 HD12 LEU 15 2HD1 LEU 15 -8.119 0.830 2.152
100 HD13 LEU 15 3HD1 LEU 15 -8.547 -0.832 2.560
101 HD21 LEU 15 3HD2 LEU 15 -9.955 0.855 -0.355
102 HD22 LEU 15 1HD2 LEU 15 -8.758 0.302 -1.527
103 HD23 LEU 15 2HD2 LEU 15 -8.331 1.543 -0.348
104 H TYR 16 H TYR 16 -6.270 -0.051 -2.647
105 HA TYR 16 HA TYR 16 -3.505 -0.734 -3.239
106 HB2 TYR 16 2HB TYR 16 -5.502 1.106 -4.564
107 HB3 TYR 16 1HB TYR 16 -3.827 0.984 -5.087
108 HD1 TYR 16 1HD TYR 16 -3.019 -1.015 -6.216
109 HD2 TYR 16 2HD TYR 16 -7.070 -0.707 -4.955
110 HE1 TYR 16 1HE TYR 16 -3.600 -2.935 -7.637
111 HE2 TYR 16 2HE TYR 16 -7.663 -2.628 -6.373
112 HH TYR 16 HH TYR 16 -6.803 -3.780 -8.367
113 H CYS 17 H CYS 17 -1.950 1.100 -3.650
114 HA CYS 17 HA CYS 17 -1.777 2.746 -1.280
115 HB2 CYS 17 2HB CYS 17 0.132 2.811 -3.608
116 HB3 CYS 17 1HB CYS 17 0.455 3.182 -1.920
117 H CYS 18 H CYS 18 -1.962 4.926 -1.128
118 HA CYS 18 HA CYS 18 -3.429 6.324 -3.145
119 HB2 CYS 18 2HB CYS 18 -2.160 7.331 -0.593
120 HB3 CYS 18 1HB CYS 18 -3.273 8.250 -1.599
121 H SER 19 H SER 19 -0.093 5.871 -2.577
122 HA SER 19 HA SER 19 0.680 8.264 -4.081
123 HB2 SER 19 2HB SER 19 2.380 6.233 -2.614
124 HB3 SER 19 1HB SER 19 2.989 7.679 -3.417
125 HG SER 19 HG SER 19 1.183 8.626 -1.893
126 H GLY 20 H GLY 20 0.494 4.790 -4.333
127 HA2 GLY 20 2HA GLY 20 0.350 3.636 -6.389
128 HA3 GLY 20 1HA GLY 20 1.181 4.967 -7.173
129 H PHE 21 H PHE 21 2.245 3.290 -4.238
130 HA PHE 21 HA PHE 21 4.334 1.908 -5.743
131 HB2 PHE 21 2HB PHE 21 5.469 3.937 -5.157
132 HB3 PHE 21 1HB PHE 21 4.856 3.888 -3.514
133 HD1 PHE 21 1HD PHE 21 6.774 1.514 -5.717
134 HD2 PHE 21 2HD PHE 21 6.491 3.506 -1.962
135 HE1 PHE 21 1HE PHE 21 8.827 0.385 -4.960
136 HE2 PHE 21 2HE PHE 21 8.542 2.383 -1.210
137 HZ PHE 21 HZ PHE 21 9.709 0.827 -2.704
138 H CYS 22 H CYS 22 4.350 -0.119 -5.192
139 HA CYS 22 HA CYS 22 3.567 -0.915 -2.465
140 HB2 CYS 22 2HB CYS 22 3.173 -2.265 -5.130
141 HB3 CYS 22 1HB CYS 22 3.138 -3.189 -3.633
142 H ASP 23 H ASP 23 5.167 -1.669 -1.251
143 HA ASP 23 HA ASP 23 7.701 -2.422 -2.460
144 HB2 ASP 23 2HB ASP 23 6.927 -1.245 -0.003
145 HB3 ASP 23 1HB ASP 23 7.686 -2.787 0.389
146 H SER 24 H SER 24 8.241 -4.418 -2.924
147 HA SER 24 HA SER 24 6.581 -6.650 -2.128
148 HB2 SER 24 2HB SER 24 9.023 -6.532 -3.910
149 HB3 SER 24 1HB SER 24 7.996 -7.948 -3.687
150 HG SER 24 HG SER 24 7.665 -6.101 -5.458
151 H TYR 25 H TYR 25 9.257 -5.156 -0.771
152 HA TYR 25 HA TYR 25 10.706 -7.436 0.175
153 HB2 TYR 25 2HB TYR 25 11.430 -4.914 -0.054
154 HB3 TYR 25 1HB TYR 25 10.784 -4.789 1.577
155 HD1 TYR 25 1HD TYR 25 13.443 -6.199 -0.507
156 HD2 TYR 25 2HD TYR 25 11.887 -5.898 3.441
157 HE1 TYR 25 1HE TYR 25 15.569 -7.052 0.389
158 HE2 TYR 25 2HE TYR 25 14.009 -6.749 4.348
159 HH TYR 25 HH TYR 25 16.838 -6.989 2.491
160 H THR 26 H THR 26 7.909 -5.709 1.232
161 HA THR 26 HA THR 26 7.612 -7.520 3.518
162 HB THR 26 HB THR 26 6.661 -5.587 4.859
163 HG1 THR 26 1HG THR 26 8.115 -3.646 3.775
164 HG21 THR 26 3HG2 THR 26 8.858 -4.796 5.619
165 HG22 THR 26 1HG2 THR 26 9.603 -5.482 4.175
166 HG23 THR 26 2HG2 THR 26 8.854 -6.541 5.370
167 H LYS 27 H LYS 27 6.377 -6.364 0.713
168 HA LYS 27 HA LYS 27 4.374 -6.329 -0.346
169 HB2 LYS 27 2HB LYS 27 3.734 -8.315 1.839
170 HB3 LYS 27 1HB LYS 27 2.593 -7.921 0.562
171 HG2 LYS 27 2HG LYS 27 4.205 -8.688 -1.112
172 HG3 LYS 27 1HG LYS 27 5.343 -9.089 0.175
173 HD2 LYS 27 2HD LYS 27 3.743 -10.700 1.088
174 HD3 LYS 27 1HD LYS 27 2.599 -10.293 -0.193
175 HE2 LYS 27 2HE LYS 27 4.203 -11.077 -1.868
176 HE3 LYS 27 1HE LYS 27 5.344 -11.482 -0.586
177 HZ1 LYS 27 3HZ LYS 27 4.133 -13.429 -1.336
178 HZ2 LYS 27 1HZ LYS 27 2.657 -12.694 -0.955
179 HZ3 LYS 27 2HZ LYS 27 3.751 -13.084 0.275
180 H THR 28 H THR 28 4.697 -4.084 0.937
181 HA THR 28 HA THR 28 2.019 -3.418 1.954
182 HB THR 28 HB THR 28 3.119 -1.866 3.646
183 HG1 THR 28 1HG THR 28 5.224 -1.863 3.673
184 HG21 THR 28 3HG2 THR 28 3.382 -3.634 5.330
185 HG22 THR 28 1HG2 THR 28 3.426 -4.845 4.048
186 HG23 THR 28 2HG2 THR 28 1.958 -3.907 4.324
187 H CYS 29 H CYS 29 1.587 -1.101 2.009
188 HA CYS 29 HA CYS 29 2.472 0.166 -0.425
189 HB2 CYS 29 2HB CYS 29 0.388 0.725 1.650
190 HB3 CYS 29 1HB CYS 29 0.865 2.000 0.541
191 H LYS 30 H LYS 30 3.965 1.703 -0.632
192 HA LYS 30 HA LYS 30 4.807 3.241 1.728
193 HB2 LYS 30 2HB LYS 30 6.624 1.741 -0.161
194 HB3 LYS 30 1HB LYS 30 7.197 3.016 0.905
195 HG2 LYS 30 2HG LYS 30 6.138 1.595 2.788
196 HG3 LYS 30 1HG LYS 30 6.171 0.294 1.595
197 HD2 LYS 30 2HD LYS 30 8.580 0.609 1.314
198 HD3 LYS 30 1HD LYS 30 8.550 1.913 2.504
199 HE2 LYS 30 2HE LYS 30 7.778 0.337 4.209
200 HE3 LYS 30 1HE LYS 30 7.805 -0.964 3.020
201 HZ1 LYS 30 3HZ LYS 30 10.190 -0.649 2.785
202 HZ2 LYS 30 1HZ LYS 30 9.788 -0.984 4.393
203 HZ3 LYS 30 2HZ LYS 30 10.163 0.598 3.927
204 H ASP 31 H ASP 31 5.997 5.208 1.204
205 HA ASP 31 HA ASP 31 4.950 6.481 -1.195
206 HB2 ASP 31 2HB ASP 31 6.392 7.554 1.234
207 HB3 ASP 31 1HB ASP 31 5.973 8.557 -0.150
208 H LYS 32 H LYS 32 6.217 7.507 -2.761
209 HA LYS 32 HA LYS 32 8.860 6.334 -3.133
210 HB2 LYS 32 2HB LYS 32 6.862 7.670 -4.899
211 HB3 LYS 32 1HB LYS 32 8.551 7.731 -5.379
212 HG2 LYS 32 2HG LYS 32 7.419 5.093 -4.617
213 HG3 LYS 32 1HG LYS 32 6.942 5.788 -6.168
214 HD2 LYS 32 2HD LYS 32 9.326 6.026 -6.763
215 HD3 LYS 32 1HD LYS 32 9.766 5.263 -5.233
216 HE2 LYS 32 2HE LYS 32 8.568 3.237 -5.903
217 HE3 LYS 32 1HE LYS 32 8.128 4.001 -7.430
218 HZ1 LYS 32 3HZ LYS 32 10.896 3.418 -6.523
219 HZ2 LYS 32 1HZ LYS 32 10.475 4.151 -7.989
220 HZ3 LYS 32 2HZ LYS 32 10.035 2.546 -7.689
221 H SER 33 H SER 33 7.363 9.543 -2.878
222 HA SER 33 HA SER 33 10.042 10.747 -2.666
223 HB2 SER 33 2HB SER 33 7.405 12.049 -3.385
224 HB3 SER 33 1HB SER 33 8.952 12.884 -3.262
225 HG SER 33 HG SER 33 9.701 11.419 -4.927
226 H SER 34 H SER 34 10.571 12.010 -0.935
227 HA SER 34 HA SER 34 8.585 12.252 1.227
228 HB2 SER 34 2HB SER 34 11.509 11.522 1.535
229 HB3 SER 34 1HB SER 34 10.388 11.820 2.864
230 HG SER 34 HG SER 34 9.290 10.035 1.227
231 H ALA 35 H ALA 35 11.596 13.508 -0.168
232 HA ALA 35 HA ALA 35 11.233 16.033 1.277
233 HB1 ALA 35 1HB ALA 35 13.599 15.068 -0.329
234 HB2 ALA 35 2HB ALA 35 13.439 14.982 1.426
235 HB3 ALA 35 3HB ALA 35 13.523 16.550 0.624
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -13.525 7.123 -5.012
2 H2 GLY 1 2HT GLY 1 -14.036 5.910 -6.072
3 H3 GLY 1 3HT GLY 1 -12.399 6.041 -5.665
4 HA2 GLY 1 1HA GLY 1 -14.601 5.328 -3.804
5 HA3 GLY 1 2HA GLY 1 -13.435 4.203 -4.483
6 H TRP 2 H TRP 2 -12.778 3.604 -2.387
7 HA TRP 2 HA TRP 2 -11.441 5.631 -0.754
8 HB2 TRP 2 2HB TRP 2 -12.148 2.741 -0.191
9 HB3 TRP 2 1HB TRP 2 -11.250 3.764 0.924
10 HD1 TRP 2 HD TRP 2 -12.602 5.770 2.114
11 HE1 TRP 2 1HE TRP 2 -15.111 6.084 2.583
12 HE3 TRP 2 3HE TRP 2 -14.491 2.278 -1.124
13 HZ2 TRP 2 2HZ TRP 2 -17.562 5.003 1.705
14 HZ3 TRP 2 3HZ TRP 2 -16.930 1.985 -1.243
15 HH2 TRP 2 HH TRP 2 -18.433 3.319 0.143
16 H CYS 3 H CYS 3 -9.300 5.349 0.012
17 HA CYS 3 HA CYS 3 -7.637 3.453 -1.495
18 HB2 CYS 3 2HB CYS 3 -5.911 5.128 -1.819
19 HB3 CYS 3 1HB CYS 3 -7.422 5.690 -2.521
20 H GLY 4 H GLY 4 -5.751 2.737 -0.436
21 HA2 GLY 4 2HA GLY 4 -6.027 2.569 2.430
22 HA3 GLY 4 1HA GLY 4 -4.827 1.757 1.444
23 H ASP 5 H ASP 5 -4.574 3.168 4.002
24 HA ASP 5 HA ASP 5 -2.984 5.534 3.395
25 HB2 ASP 5 2HB ASP 5 -3.952 4.255 5.947
26 HB3 ASP 5 1HB ASP 5 -2.766 5.553 5.964
27 HA HYP 6 HA HYP 6 1.090 3.709 3.469
28 HB2 HYP 6 2HB HYP 6 2.348 5.317 5.403
29 HB3 HYP 6 1HB HYP 6 2.259 5.658 3.665
30 HG HYP 6 2HG HYP 6 0.612 6.753 5.890
31 HD22 HYP 6 1HD HYP 6 -0.525 6.592 3.111
32 HD23 HYP 6 2HD HYP 6 -1.372 6.714 4.667
33 HD1 HYP 6 1HG HYP 6 1.973 7.624 3.658
34 H GLY 7 H GLY 7 1.620 1.846 4.342
35 HA2 GLY 7 2HA GLY 7 2.585 0.667 6.251
36 HA3 GLY 7 1HA GLY 7 1.416 1.495 7.269
37 H ALA 8 H ALA 8 0.105 0.509 4.307
38 HA ALA 8 HA ALA 8 -1.357 -1.668 5.610
39 HB1 ALA 8 1HB ALA 8 -2.957 -1.445 3.783
40 HB2 ALA 8 2HB ALA 8 -1.918 -0.253 3.003
41 HB3 ALA 8 3HB ALA 8 -2.671 0.116 4.554
42 H THR 9 H THR 9 -1.679 -3.691 4.551
43 HA THR 9 HA THR 9 0.677 -4.699 3.244
44 HB THR 9 HB THR 9 -1.808 -6.356 3.410
45 HG1 THR 9 1HG THR 9 -1.970 -5.672 5.447
46 HG21 THR 9 3HG2 THR 9 -0.205 -8.092 4.078
47 HG22 THR 9 1HG2 THR 9 1.096 -6.901 4.055
48 HG23 THR 9 2HG2 THR 9 0.271 -7.335 2.558
49 H CYS 10 H CYS 10 1.054 -4.738 1.136
50 HA CYS 10 HA CYS 10 -1.167 -4.306 -0.735
51 HB2 CYS 10 2HB CYS 10 0.783 -2.739 -0.779
52 HB3 CYS 10 1HB CYS 10 1.804 -4.089 -1.262
53 H GLY 11 H GLY 11 -1.490 -5.602 -2.529
54 HA2 GLY 11 2HA GLY 11 -0.017 -7.618 -3.601
55 HA3 GLY 11 1HA GLY 11 -0.758 -8.372 -2.197
56 H LYS 12 H LYS 12 -2.528 -9.470 -2.666
57 HA LYS 12 HA LYS 12 -4.127 -8.683 -4.995
58 HB2 LYS 12 2HB LYS 12 -3.892 -11.282 -3.479
59 HB3 LYS 12 1HB LYS 12 -5.175 -10.994 -4.645
60 HG2 LYS 12 2HG LYS 12 -3.507 -10.644 -6.398
61 HG3 LYS 12 1HG LYS 12 -2.219 -10.930 -5.226
62 HD2 LYS 12 2HD LYS 12 -3.067 -13.196 -4.849
63 HD3 LYS 12 1HD LYS 12 -4.355 -12.909 -6.021
64 HE2 LYS 12 2HE LYS 12 -2.681 -12.573 -7.774
65 HE3 LYS 12 1HE LYS 12 -1.395 -12.857 -6.603
66 HZ1 LYS 12 3HZ LYS 12 -3.473 -14.825 -7.399
67 HZ2 LYS 12 1HZ LYS 12 -2.237 -15.098 -6.276
68 HZ3 LYS 12 2HZ LYS 12 -1.858 -14.836 -7.903
69 H LEU 13 H LEU 13 -5.189 -6.955 -4.001
70 HA LEU 13 HA LEU 13 -7.437 -7.748 -2.291
71 HB2 LEU 13 2HB LEU 13 -5.586 -5.416 -1.766
72 HB3 LEU 13 1HB LEU 13 -7.148 -5.606 -0.997
73 HG LEU 13 HG LEU 13 -6.065 -7.971 -0.331
74 HD11 LEU 13 1HD1 LEU 13 -3.722 -7.657 0.286
75 HD12 LEU 13 2HD1 LEU 13 -3.726 -6.074 -0.493
76 HD13 LEU 13 3HD1 LEU 13 -3.950 -7.534 -1.459
77 HD21 LEU 13 3HD2 LEU 13 -5.616 -5.353 1.096
78 HD22 LEU 13 1HD2 LEU 13 -5.499 -6.952 1.828
79 HD23 LEU 13 2HD2 LEU 13 -7.048 -6.376 1.213
80 H ARG 14 H ARG 14 -9.164 -6.062 -2.236
81 HA ARG 14 HA ARG 14 -9.633 -5.039 -4.907
82 HB2 ARG 14 2HB ARG 14 -11.326 -5.190 -2.419
83 HB3 ARG 14 1HB ARG 14 -11.864 -4.346 -3.863
84 HG2 ARG 14 2HG ARG 14 -11.680 -6.418 -5.147
85 HG3 ARG 14 1HG ARG 14 -11.140 -7.266 -3.696
86 HD2 ARG 14 2HD ARG 14 -13.266 -6.747 -2.603
87 HD3 ARG 14 1HD ARG 14 -13.804 -5.895 -4.049
88 HE ARG 14 HE ARG 14 -13.088 -8.494 -4.786
89 HH11 ARG 14 1HH1 ARG 14 -15.574 -6.914 -2.873
90 HH12 ARG 14 2HH1 ARG 14 -16.745 -8.158 -3.158
91 HH21 ARG 14 1HH2 ARG 14 -14.637 -10.110 -5.145
92 HH22 ARG 14 2HH2 ARG 14 -16.214 -9.965 -4.442
93 H LEU 15 H LEU 15 -8.777 -3.782 -1.774
94 HA LEU 15 HA LEU 15 -9.196 -1.017 -2.627
95 HB2 LEU 15 2HB LEU 15 -10.038 -1.419 -0.452
96 HB3 LEU 15 1HB LEU 15 -8.622 -2.322 0.025
97 HG LEU 15 HG LEU 15 -7.319 -0.263 0.198
98 HD11 LEU 15 1HD1 LEU 15 -8.315 1.083 -1.543
99 HD12 LEU 15 2HD1 LEU 15 -8.407 1.934 -0.001
100 HD13 LEU 15 3HD1 LEU 15 -9.841 1.147 -0.661
101 HD21 LEU 15 3HD2 LEU 15 -8.246 0.531 2.175
102 HD22 LEU 15 1HD2 LEU 15 -8.884 -1.108 2.043
103 HD23 LEU 15 2HD2 LEU 15 -9.900 0.273 1.617
104 H TYR 16 H TYR 16 -7.620 0.152 -3.447
105 HA TYR 16 HA TYR 16 -4.867 -0.825 -3.330
106 HB2 TYR 16 2HB TYR 16 -6.226 1.239 -5.069
107 HB3 TYR 16 1HB TYR 16 -4.488 0.962 -5.091
108 HD1 TYR 16 2HD TYR 16 -3.564 -1.072 -6.055
109 HD2 TYR 16 1HD TYR 16 -7.765 -0.397 -6.000
110 HE1 TYR 16 2HE TYR 16 -3.871 -2.882 -7.692
111 HE2 TYR 16 1HE TYR 16 -8.083 -2.204 -7.636
112 HH TYR 16 HH TYR 16 -6.782 -3.378 -9.361
113 H CYS 17 H CYS 17 -3.107 0.600 -2.857
114 HA CYS 17 HA CYS 17 -3.667 2.352 -0.634
115 HB2 CYS 17 2HB CYS 17 -1.105 1.408 -1.908
116 HB3 CYS 17 1HB CYS 17 -1.141 2.545 -0.564
117 H CYS 18 H CYS 18 -3.418 4.502 -0.486
118 HA CYS 18 HA CYS 18 -3.661 6.102 -2.825
119 HB2 CYS 18 2HB CYS 18 -4.085 6.392 -0.038
120 HB3 CYS 18 1HB CYS 18 -3.000 7.687 -0.531
121 H SER 19 H SER 19 -0.902 4.791 -1.466
122 HA SER 19 HA SER 19 0.874 7.038 -1.926
123 HB2 SER 19 2HB SER 19 1.472 4.170 -1.171
124 HB3 SER 19 1HB SER 19 2.657 5.476 -1.224
125 HG SER 19 HG SER 19 0.322 5.529 0.383
126 H GLY 20 H GLY 20 -0.145 4.149 -3.620
127 HA2 GLY 20 2HA GLY 20 0.029 3.776 -5.922
128 HA3 GLY 20 1HA GLY 20 1.208 5.070 -6.024
129 H PHE 21 H PHE 21 3.063 4.162 -4.117
130 HA PHE 21 HA PHE 21 4.324 2.032 -5.642
131 HB2 PHE 21 2HB PHE 21 5.778 3.853 -5.247
132 HB3 PHE 21 1HB PHE 21 5.305 3.981 -3.562
133 HD1 PHE 21 2HD PHE 21 6.844 1.389 -5.812
134 HD2 PHE 21 1HD PHE 21 6.899 3.369 -2.040
135 HE1 PHE 21 2HE PHE 21 8.809 0.066 -5.144
136 HE2 PHE 21 1HE PHE 21 8.866 2.052 -1.376
137 HZ PHE 21 HZ PHE 21 9.817 0.401 -2.921
138 H CYS 22 H CYS 22 4.404 -0.001 -5.064
139 HA CYS 22 HA CYS 22 3.741 -0.751 -2.297
140 HB2 CYS 22 2HB CYS 22 3.080 -2.030 -4.927
141 HB3 CYS 22 1HB CYS 22 3.179 -3.018 -3.475
142 H ASP 23 H ASP 23 5.248 -1.756 -1.154
143 HA ASP 23 HA ASP 23 7.722 -2.582 -2.465
144 HB2 ASP 23 2HB ASP 23 7.100 -1.377 0.027
145 HB3 ASP 23 1HB ASP 23 7.802 -2.954 0.378
146 H SER 24 H SER 24 8.032 -4.603 -3.027
147 HA SER 24 HA SER 24 6.333 -6.732 -2.031
148 HB2 SER 24 2HB SER 24 6.898 -6.463 -4.459
149 HB3 SER 24 1HB SER 24 8.559 -6.907 -4.071
150 HG SER 24 HG SER 24 7.974 -8.926 -3.930
151 H TYR 25 H TYR 25 9.269 -5.413 -1.083
152 HA TYR 25 HA TYR 25 10.643 -7.814 -0.299
153 HB2 TYR 25 2HB TYR 25 11.580 -5.405 -0.784
154 HB3 TYR 25 1HB TYR 25 11.224 -5.137 0.918
155 HD1 TYR 25 1HD TYR 25 13.344 -6.939 -1.466
156 HD2 TYR 25 2HD TYR 25 12.498 -6.270 2.650
157 HE1 TYR 25 1HE TYR 25 15.487 -7.984 -0.862
158 HE2 TYR 25 2HE TYR 25 14.637 -7.313 3.265
159 HH TYR 25 HH TYR 25 17.084 -7.964 1.006
160 H THR 26 H THR 26 8.159 -5.874 1.043
161 HA THR 26 HA THR 26 8.183 -7.468 3.505
162 HB THR 26 HB THR 26 7.463 -5.391 4.778
163 HG1 THR 26 1HG THR 26 8.827 -3.725 3.085
164 HG21 THR 26 3HG2 THR 26 9.762 -4.595 5.124
165 HG22 THR 26 1HG2 THR 26 10.272 -5.442 3.662
166 HG23 THR 26 2HG2 THR 26 9.692 -6.356 5.054
167 H LYS 27 H LYS 27 6.549 -6.582 0.818
168 HA LYS 27 HA LYS 27 4.409 -6.631 0.071
169 HB2 LYS 27 2HB LYS 27 4.096 -8.323 2.553
170 HB3 LYS 27 1HB LYS 27 2.774 -8.055 1.426
171 HG2 LYS 27 2HG LYS 27 4.098 -9.060 -0.367
172 HG3 LYS 27 1HG LYS 27 5.424 -9.327 0.766
173 HD2 LYS 27 2HD LYS 27 3.979 -10.776 2.112
174 HD3 LYS 27 1HD LYS 27 2.654 -10.507 0.977
175 HE2 LYS 27 2HE LYS 27 3.982 -11.526 -0.809
176 HE3 LYS 27 1HE LYS 27 5.304 -11.793 0.325
177 HZ1 LYS 27 3HZ LYS 27 2.590 -12.985 0.521
178 HZ2 LYS 27 1HZ LYS 27 3.857 -13.241 1.612
179 HZ3 LYS 27 2HZ LYS 27 3.988 -13.792 0.019
180 H THR 28 H THR 28 5.105 -4.295 1.349
181 HA THR 28 HA THR 28 2.523 -3.428 2.480
182 HB THR 28 HB THR 28 3.838 -1.805 3.931
183 HG1 THR 28 1HG THR 28 5.994 -3.353 4.240
184 HG21 THR 28 3HG2 THR 28 4.093 -4.756 4.532
185 HG22 THR 28 1HG2 THR 28 2.690 -3.744 4.877
186 HG23 THR 28 2HG2 THR 28 4.214 -3.451 5.714
187 H CYS 29 H CYS 29 2.083 -1.161 2.275
188 HA CYS 29 HA CYS 29 2.994 -0.130 -0.273
189 HB2 CYS 29 2HB CYS 29 0.891 0.885 1.643
190 HB3 CYS 29 1HB CYS 29 1.203 1.536 0.040
191 H LYS 30 H LYS 30 4.444 1.405 -0.559
192 HA LYS 30 HA LYS 30 5.156 3.180 1.682
193 HB2 LYS 30 2HB LYS 30 7.045 1.681 -0.140
194 HB3 LYS 30 1HB LYS 30 7.551 3.012 0.889
195 HG2 LYS 30 2HG LYS 30 6.596 1.621 2.822
196 HG3 LYS 30 1HG LYS 30 6.607 0.280 1.672
197 HD2 LYS 30 2HD LYS 30 9.001 0.600 1.313
198 HD3 LYS 30 1HD LYS 30 8.997 1.954 2.445
199 HE2 LYS 30 2HE LYS 30 8.292 0.446 4.239
200 HE3 LYS 30 1HE LYS 30 8.297 -0.906 3.106
201 HZ1 LYS 30 3HZ LYS 30 10.670 -0.579 2.787
202 HZ2 LYS 30 1HZ LYS 30 10.321 -0.845 4.420
203 HZ3 LYS 30 2HZ LYS 30 10.664 0.718 3.872
204 H ASP 31 H ASP 31 6.486 5.092 0.910
205 HA ASP 31 HA ASP 31 5.201 6.255 -1.427
206 HB2 ASP 31 2HB ASP 31 6.984 7.407 0.724
207 HB3 ASP 31 1HB ASP 31 6.436 8.342 -0.664
208 H LYS 32 H LYS 32 6.292 7.107 -3.210
209 HA LYS 32 HA LYS 32 8.826 5.793 -3.815
210 HB2 LYS 32 2HB LYS 32 6.635 6.018 -5.319
211 HB3 LYS 32 1HB LYS 32 7.428 7.507 -5.813
212 HG2 LYS 32 2HG LYS 32 9.396 6.241 -6.504
213 HG3 LYS 32 1HG LYS 32 8.615 4.743 -5.991
214 HD2 LYS 32 2HD LYS 32 6.830 5.121 -7.630
215 HD3 LYS 32 1HD LYS 32 7.625 6.610 -8.146
216 HE2 LYS 32 2HE LYS 32 9.585 5.325 -8.841
217 HE3 LYS 32 1HE LYS 32 8.800 3.837 -8.313
218 HZ1 LYS 32 3HZ LYS 32 7.067 4.213 -9.959
219 HZ2 LYS 32 1HZ LYS 32 8.588 4.143 -10.695
220 HZ3 LYS 32 2HZ LYS 32 7.827 5.635 -10.469
221 H SER 33 H SER 33 7.461 9.054 -3.579
222 HA SER 33 HA SER 33 10.062 10.260 -4.155
223 HB2 SER 33 2HB SER 33 7.353 11.537 -3.705
224 HB3 SER 33 1HB SER 33 8.824 12.402 -4.151
225 HG SER 33 HG SER 33 8.626 11.720 -6.143
226 H SER 34 H SER 34 11.376 11.025 -2.646
227 HA SER 34 HA SER 34 10.339 11.515 0.066
228 HB2 SER 34 2HB SER 34 11.554 9.317 -0.089
229 HB3 SER 34 1HB SER 34 13.005 10.212 -0.538
230 HG SER 34 HG SER 34 13.274 10.238 1.560
231 H ALA 35 H ALA 35 11.347 13.151 1.237
232 HA ALA 35 HA ALA 35 12.868 15.057 -0.392
233 HB1 ALA 35 1HB ALA 35 12.185 16.742 1.230
234 HB2 ALA 35 2HB ALA 35 11.408 15.500 2.212
235 HB3 ALA 35 3HB ALA 35 10.784 15.872 0.604
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -10.668 2.989 -5.195
2 H2 GLY 1 2HT GLY 1 -10.267 4.495 -5.852
3 H3 GLY 1 3HT GLY 1 -11.518 3.582 -6.533
4 HA2 GLY 1 1HA GLY 1 -12.425 5.383 -5.217
5 HA3 GLY 1 2HA GLY 1 -12.839 3.818 -4.533
6 H TRP 2 H TRP 2 -11.546 3.038 -2.729
7 HA TRP 2 HA TRP 2 -10.778 5.240 -0.961
8 HB2 TRP 2 2HB TRP 2 -11.385 2.330 -0.398
9 HB3 TRP 2 1HB TRP 2 -10.863 3.478 0.828
10 HD1 TRP 2 HD TRP 2 -13.858 2.685 -1.438
11 HE1 TRP 2 1HE TRP 2 -15.949 3.827 -0.468
12 HE3 TRP 2 3HE TRP 2 -11.654 5.403 2.305
13 HZ2 TRP 2 2HZ TRP 2 -16.585 5.634 1.600
14 HZ3 TRP 2 3HZ TRP 2 -13.081 6.811 3.730
15 HH2 TRP 2 HH TRP 2 -15.494 6.923 3.383
16 H CYS 3 H CYS 3 -8.820 5.315 0.135
17 HA CYS 3 HA CYS 3 -6.704 3.557 -0.922
18 HB2 CYS 3 2HB CYS 3 -6.582 6.484 -0.197
19 HB3 CYS 3 1HB CYS 3 -5.151 5.498 -0.473
20 H GLY 4 H GLY 4 -5.077 2.873 0.466
21 HA2 GLY 4 2HA GLY 4 -5.869 2.758 3.278
22 HA3 GLY 4 1HA GLY 4 -4.665 1.749 2.493
23 H ASP 5 H ASP 5 -4.371 3.081 4.992
24 HA ASP 5 HA ASP 5 -2.672 5.388 4.584
25 HB2 ASP 5 2HB ASP 5 -3.526 3.840 7.031
26 HB3 ASP 5 1HB ASP 5 -2.366 5.161 7.113
27 HA HYP 6 HA HYP 6 1.349 3.441 4.343
28 HB2 HYP 6 2HB HYP 6 2.283 5.006 6.698
29 HB3 HYP 6 1HB HYP 6 2.949 4.935 5.054
30 HG HYP 6 2HG HYP 6 1.629 7.089 5.877
31 HD22 HYP 6 1HD HYP 6 -0.748 6.468 4.729
32 HD23 HYP 6 2HD HYP 6 -0.453 6.250 6.466
33 HD1 HYP 6 1HG HYP 6 2.370 6.393 3.622
34 H GLY 7 H GLY 7 1.790 1.450 4.945
35 HA2 GLY 7 2HA GLY 7 2.735 -0.021 6.650
36 HA3 GLY 7 1HA GLY 7 1.642 0.724 7.806
37 H ALA 8 H ALA 8 0.184 0.229 4.795
38 HA ALA 8 HA ALA 8 -1.404 -1.986 5.842
39 HB1 ALA 8 1HB ALA 8 -2.574 -0.030 4.931
40 HB2 ALA 8 2HB ALA 8 -2.944 -1.491 4.015
41 HB3 ALA 8 3HB ALA 8 -1.811 -0.306 3.366
42 H THR 9 H THR 9 -1.825 -3.888 4.598
43 HA THR 9 HA THR 9 0.508 -4.886 3.230
44 HB THR 9 HB THR 9 -2.015 -6.482 3.280
45 HG1 THR 9 1HG THR 9 -2.126 -5.758 5.355
46 HG21 THR 9 3HG2 THR 9 -0.458 -8.292 3.851
47 HG22 THR 9 1HG2 THR 9 0.869 -7.133 3.918
48 HG23 THR 9 2HG2 THR 9 0.052 -7.450 2.388
49 H CYS 10 H CYS 10 0.870 -4.947 1.126
50 HA CYS 10 HA CYS 10 -1.377 -4.525 -0.736
51 HB2 CYS 10 2HB CYS 10 0.201 -2.611 -0.643
52 HB3 CYS 10 1HB CYS 10 1.510 -3.691 -1.108
53 H GLY 11 H GLY 11 -1.759 -6.090 -2.151
54 HA2 GLY 11 2HA GLY 11 0.112 -7.581 -3.578
55 HA3 GLY 11 1HA GLY 11 -0.296 -8.519 -2.149
56 H LYS 12 H LYS 12 -2.947 -8.085 -1.830
57 HA LYS 12 HA LYS 12 -4.081 -9.474 -4.134
58 HB2 LYS 12 2HB LYS 12 -5.015 -9.058 -1.298
59 HB3 LYS 12 1HB LYS 12 -6.076 -9.717 -2.536
60 HG2 LYS 12 2HG LYS 12 -4.499 -11.562 -2.892
61 HG3 LYS 12 1HG LYS 12 -3.464 -10.906 -1.621
62 HD2 LYS 12 2HD LYS 12 -5.264 -11.197 0.005
63 HD3 LYS 12 1HD LYS 12 -6.317 -11.825 -1.263
64 HE2 LYS 12 2HE LYS 12 -5.486 -13.717 -0.129
65 HE3 LYS 12 1HE LYS 12 -4.571 -13.622 -1.633
66 HZ1 LYS 12 3HZ LYS 12 -2.751 -12.593 -0.419
67 HZ2 LYS 12 1HZ LYS 12 -3.134 -14.102 0.245
68 HZ3 LYS 12 2HZ LYS 12 -3.629 -12.685 1.024
69 H LEU 13 H LEU 13 -6.197 -8.871 -4.975
70 HA LEU 13 HA LEU 13 -6.426 -5.989 -5.261
71 HB2 LEU 13 2HB LEU 13 -7.784 -8.280 -6.681
72 HB3 LEU 13 1HB LEU 13 -8.148 -6.597 -7.004
73 HG LEU 13 HG LEU 13 -5.532 -6.469 -7.428
74 HD11 LEU 13 1HD1 LEU 13 -6.187 -9.347 -8.052
75 HD12 LEU 13 2HD1 LEU 13 -5.073 -8.780 -6.808
76 HD13 LEU 13 3HD1 LEU 13 -4.708 -8.502 -8.510
77 HD21 LEU 13 3HD2 LEU 13 -5.979 -6.854 -9.807
78 HD22 LEU 13 1HD2 LEU 13 -7.246 -5.890 -9.047
79 HD23 LEU 13 2HD2 LEU 13 -7.523 -7.598 -9.391
80 H ARG 14 H ARG 14 -7.300 -5.236 -3.396
81 HA ARG 14 HA ARG 14 -10.154 -5.725 -3.006
82 HB2 ARG 14 2HB ARG 14 -8.063 -6.024 -0.848
83 HB3 ARG 14 1HB ARG 14 -9.753 -5.709 -0.479
84 HG2 ARG 14 2HG ARG 14 -10.371 -7.782 -1.659
85 HG3 ARG 14 1HG ARG 14 -8.662 -8.104 -1.946
86 HD2 ARG 14 2HD ARG 14 -9.231 -9.381 -0.052
87 HD3 ARG 14 1HD ARG 14 -8.363 -7.979 0.571
88 HE ARG 14 HE ARG 14 -11.039 -7.306 0.630
89 HH11 ARG 14 2HH1 ARG 14 -9.038 -9.775 2.124
90 HH12 ARG 14 1HH1 ARG 14 -10.041 -9.899 3.531
91 HH21 ARG 14 1HH2 ARG 14 -12.337 -7.485 2.480
92 HH22 ARG 14 2HH2 ARG 14 -11.907 -8.602 3.731
93 H LEU 15 H LEU 15 -7.307 -3.849 -2.007
94 HA LEU 15 HA LEU 15 -8.926 -1.400 -2.128
95 HB2 LEU 15 2HB LEU 15 -8.311 -2.363 0.259
96 HB3 LEU 15 1HB LEU 15 -6.753 -1.639 -0.082
97 HG LEU 15 HG LEU 15 -9.243 0.023 -0.311
98 HD11 LEU 15 1HD1 LEU 15 -7.730 -0.496 2.244
99 HD12 LEU 15 2HD1 LEU 15 -9.354 -1.081 1.880
100 HD13 LEU 15 3HD1 LEU 15 -9.051 0.650 2.021
101 HD21 LEU 15 3HD2 LEU 15 -6.398 0.669 0.468
102 HD22 LEU 15 1HD2 LEU 15 -7.717 1.827 0.289
103 HD23 LEU 15 2HD2 LEU 15 -7.120 0.946 -1.118
104 H TYR 16 H TYR 16 -7.894 0.383 -2.953
105 HA TYR 16 HA TYR 16 -5.251 -0.100 -4.152
106 HB2 TYR 16 2HB TYR 16 -7.481 1.792 -4.920
107 HB3 TYR 16 1HB TYR 16 -5.880 1.843 -5.647
108 HD1 TYR 16 2HD TYR 16 -9.021 -0.022 -5.412
109 HD2 TYR 16 1HD TYR 16 -5.153 0.095 -7.177
110 HE1 TYR 16 2HE TYR 16 -9.721 -1.726 -7.041
111 HE2 TYR 16 1HE TYR 16 -5.841 -1.608 -8.812
112 HH TYR 16 HH TYR 16 -7.522 -3.388 -9.020
113 H CYS 17 H CYS 17 -3.540 1.115 -3.614
114 HA CYS 17 HA CYS 17 -3.829 3.043 -1.461
115 HB2 CYS 17 2HB CYS 17 -1.452 1.731 -2.767
116 HB3 CYS 17 1HB CYS 17 -1.268 3.051 -1.617
117 H CYS 18 H CYS 18 -3.451 5.192 -1.568
118 HA CYS 18 HA CYS 18 -3.593 6.469 -4.130
119 HB2 CYS 18 2HB CYS 18 -3.659 7.361 -1.290
120 HB3 CYS 18 1HB CYS 18 -3.269 8.558 -2.519
121 H SER 19 H SER 19 -0.981 5.224 -2.523
122 HA SER 19 HA SER 19 0.910 7.334 -3.202
123 HB2 SER 19 2HB SER 19 1.084 6.020 -1.063
124 HB3 SER 19 1HB SER 19 1.495 4.606 -2.032
125 HG SER 19 HG SER 19 3.383 5.534 -2.612
126 H GLY 20 H GLY 20 -0.155 4.222 -4.399
127 HA2 GLY 20 2HA GLY 20 0.099 3.376 -6.551
128 HA3 GLY 20 1HA GLY 20 1.245 4.657 -6.897
129 H PHE 21 H PHE 21 2.948 4.015 -4.583
130 HA PHE 21 HA PHE 21 4.404 1.814 -5.815
131 HB2 PHE 21 2HB PHE 21 5.759 3.726 -5.470
132 HB3 PHE 21 1HB PHE 21 5.165 3.959 -3.835
133 HD1 PHE 21 1HD PHE 21 7.000 1.354 -5.821
134 HD2 PHE 21 2HD PHE 21 6.586 3.422 -2.119
135 HE1 PHE 21 1HE PHE 21 8.947 0.143 -4.924
136 HE2 PHE 21 2HE PHE 21 8.534 2.217 -1.228
137 HZ PHE 21 HZ PHE 21 9.711 0.579 -2.624
138 H CYS 22 H CYS 22 4.283 -0.160 -5.105
139 HA CYS 22 HA CYS 22 3.610 -0.672 -2.285
140 HB2 CYS 22 2HB CYS 22 2.871 -2.130 -4.804
141 HB3 CYS 22 1HB CYS 22 2.928 -2.992 -3.270
142 H ASP 23 H ASP 23 5.149 -1.568 -1.094
143 HA ASP 23 HA ASP 23 7.601 -2.489 -2.333
144 HB2 ASP 23 2HB ASP 23 6.906 -1.307 0.146
145 HB3 ASP 23 1HB ASP 23 7.592 -2.889 0.508
146 H SER 24 H SER 24 8.025 -4.510 -2.827
147 HA SER 24 HA SER 24 6.286 -6.662 -1.942
148 HB2 SER 24 2HB SER 24 8.577 -6.651 -3.919
149 HB3 SER 24 1HB SER 24 7.501 -8.015 -3.617
150 HG SER 24 HG SER 24 7.073 -5.711 -5.061
151 H TYR 25 H TYR 25 9.187 -5.309 -0.887
152 HA TYR 25 HA TYR 25 10.526 -7.691 0.000
153 HB2 TYR 25 2HB TYR 25 11.483 -5.294 -0.482
154 HB3 TYR 25 1HB TYR 25 11.041 -4.988 1.193
155 HD1 TYR 25 1HD TYR 25 13.283 -6.836 -1.039
156 HD2 TYR 25 2HD TYR 25 12.228 -6.077 3.012
157 HE1 TYR 25 1HE TYR 25 15.394 -7.860 -0.304
158 HE2 TYR 25 2HE TYR 25 14.337 -7.098 3.758
159 HH TYR 25 HH TYR 25 16.004 -8.699 2.928
160 H THR 26 H THR 26 7.981 -5.744 1.206
161 HA THR 26 HA THR 26 7.913 -7.296 3.694
162 HB THR 26 HB THR 26 7.113 -5.211 4.898
163 HG1 THR 26 1HG THR 26 7.426 -3.262 3.952
164 HG21 THR 26 3HG2 THR 26 9.380 -4.363 5.317
165 HG22 THR 26 1HG2 THR 26 9.963 -5.224 3.891
166 HG23 THR 26 2HG2 THR 26 9.347 -6.126 5.277
167 H LYS 27 H LYS 27 6.382 -6.396 0.924
168 HA LYS 27 HA LYS 27 4.276 -6.456 0.089
169 HB2 LYS 27 2HB LYS 27 3.884 -8.233 2.501
170 HB3 LYS 27 1HB LYS 27 2.619 -7.961 1.312
171 HG2 LYS 27 2HG LYS 27 4.041 -8.894 -0.433
172 HG3 LYS 27 1HG LYS 27 5.333 -9.140 0.743
173 HD2 LYS 27 2HD LYS 27 3.880 -10.661 2.006
174 HD3 LYS 27 1HD LYS 27 2.602 -10.423 0.813
175 HE2 LYS 27 2HE LYS 27 4.050 -11.361 -0.922
176 HE3 LYS 27 1HE LYS 27 5.328 -11.596 0.270
177 HZ1 LYS 27 3HZ LYS 27 4.102 -13.637 -0.137
178 HZ2 LYS 27 1HZ LYS 27 2.656 -12.891 0.329
179 HZ3 LYS 27 2HZ LYS 27 3.890 -13.125 1.462
180 H THR 28 H THR 28 4.754 -4.113 1.210
181 HA THR 28 HA THR 28 2.162 -3.343 2.357
182 HB THR 28 HB THR 28 3.390 -1.696 3.860
183 HG1 THR 28 1HG THR 28 5.555 -2.664 4.447
184 HG21 THR 28 3HG2 THR 28 2.253 -3.666 4.752
185 HG22 THR 28 1HG2 THR 28 3.742 -3.347 5.642
186 HG23 THR 28 2HG2 THR 28 3.689 -4.644 4.448
187 H CYS 29 H CYS 29 1.652 -1.096 2.156
188 HA CYS 29 HA CYS 29 2.547 0.002 -0.358
189 HB2 CYS 29 2HB CYS 29 0.350 0.573 1.574
190 HB3 CYS 29 1HB CYS 29 0.831 1.846 0.463
191 H LYS 30 H LYS 30 4.054 1.490 -0.636
192 HA LYS 30 HA LYS 30 4.792 3.254 1.605
193 HB2 LYS 30 2HB LYS 30 6.649 1.663 -0.165
194 HB3 LYS 30 1HB LYS 30 7.194 3.026 0.801
195 HG2 LYS 30 2HG LYS 30 6.214 1.755 2.798
196 HG3 LYS 30 1HG LYS 30 6.176 0.363 1.713
197 HD2 LYS 30 2HD LYS 30 8.577 0.592 1.325
198 HD3 LYS 30 1HD LYS 30 8.621 1.993 2.397
199 HE2 LYS 30 2HE LYS 30 7.887 0.591 4.260
200 HE3 LYS 30 1HE LYS 30 7.831 -0.809 3.189
201 HZ1 LYS 30 3HZ LYS 30 10.260 0.758 3.875
202 HZ2 LYS 30 1HZ LYS 30 10.214 -0.571 2.828
203 HZ3 LYS 30 2HZ LYS 30 9.869 -0.777 4.470
204 H ASP 31 H ASP 31 6.002 5.192 0.927
205 HA ASP 31 HA ASP 31 4.888 6.300 -1.522
206 HB2 ASP 31 2HB ASP 31 6.408 7.527 0.782
207 HB3 ASP 31 1HB ASP 31 5.949 8.439 -0.652
208 H LYS 32 H LYS 32 6.059 7.063 -3.252
209 HA LYS 32 HA LYS 32 8.761 5.982 -3.527
210 HB2 LYS 32 2HB LYS 32 6.710 5.834 -5.227
211 HB3 LYS 32 1HB LYS 32 7.375 7.364 -5.776
212 HG2 LYS 32 2HG LYS 32 9.529 6.289 -6.186
213 HG3 LYS 32 1HG LYS 32 8.869 4.752 -5.623
214 HD2 LYS 32 2HD LYS 32 7.225 4.795 -7.436
215 HD3 LYS 32 1HD LYS 32 7.879 6.337 -7.994
216 HE2 LYS 32 2HE LYS 32 10.036 5.265 -8.420
217 HE3 LYS 32 1HE LYS 32 9.387 3.727 -7.853
218 HZ1 LYS 32 3HZ LYS 32 9.364 3.846 -10.258
219 HZ2 LYS 32 1HZ LYS 32 8.427 5.254 -10.213
220 HZ3 LYS 32 2HZ LYS 32 7.781 3.790 -9.667
221 H SER 33 H SER 33 10.546 7.207 -4.077
222 HA SER 33 HA SER 33 10.250 10.134 -3.962
223 HB2 SER 33 2HB SER 33 11.113 9.187 -1.804
224 HB3 SER 33 1HB SER 33 12.514 8.582 -2.686
225 HG SER 33 HG SER 33 12.361 11.081 -3.349
226 H SER 34 H SER 34 12.293 7.412 -4.974
227 HA SER 34 HA SER 34 13.631 9.134 -6.940
228 HB2 SER 34 2HB SER 34 15.022 7.736 -5.380
229 HB3 SER 34 1HB SER 34 14.348 6.301 -6.151
230 HG SER 34 HG SER 34 15.830 6.544 -7.603
231 H ALA 35 H ALA 35 13.515 8.767 -9.106
232 HA ALA 35 HA ALA 35 11.455 6.881 -10.003
233 HB1 ALA 35 1HB ALA 35 11.322 8.233 -12.027
234 HB2 ALA 35 2HB ALA 35 12.650 9.242 -11.454
235 HB3 ALA 35 3HB ALA 35 11.113 9.234 -10.590
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -12.718 3.656 -7.003
2 H2 GLY 1 2HT GLY 1 -11.293 3.877 -6.120
3 H3 GLY 1 3HT GLY 1 -12.525 5.032 -6.038
4 HA2 GLY 1 1HA GLY 1 -13.996 3.434 -4.974
5 HA3 GLY 1 2HA GLY 1 -12.714 2.236 -5.058
6 H TRP 2 H TRP 2 -11.948 1.891 -3.093
7 HA TRP 2 HA TRP 2 -11.773 4.092 -1.171
8 HB2 TRP 2 2HB TRP 2 -11.534 1.096 -0.852
9 HB3 TRP 2 1HB TRP 2 -11.236 2.234 0.458
10 HD1 TRP 2 HD TRP 2 -14.062 0.766 -1.654
11 HE1 TRP 2 1HE TRP 2 -16.310 1.283 -0.514
12 HE3 TRP 2 3HE TRP 2 -12.412 3.914 2.037
13 HZ2 TRP 2 2HZ TRP 2 -17.261 2.815 1.653
14 HZ3 TRP 2 3HZ TRP 2 -14.061 4.859 3.598
15 HH2 TRP 2 HH TRP 2 -16.434 4.321 3.408
16 H CYS 3 H CYS 3 -9.907 4.921 -0.440
17 HA CYS 3 HA CYS 3 -7.416 3.937 -1.644
18 HB2 CYS 3 2HB CYS 3 -8.251 6.384 -1.850
19 HB3 CYS 3 1HB CYS 3 -7.705 6.551 -0.186
20 H GLY 4 H GLY 4 -5.725 3.237 -0.443
21 HA2 GLY 4 2HA GLY 4 -6.221 2.810 2.415
22 HA3 GLY 4 1HA GLY 4 -5.042 1.956 1.432
23 H ASP 5 H ASP 5 -4.879 3.436 4.032
24 HA ASP 5 HA ASP 5 -3.182 5.717 3.523
25 HB2 ASP 5 2HB ASP 5 -4.070 4.294 6.032
26 HB3 ASP 5 1HB ASP 5 -2.918 5.623 6.070
27 HA HYP 6 HA HYP 6 0.887 3.849 3.473
28 HB2 HYP 6 2HB HYP 6 1.709 5.516 5.800
29 HB3 HYP 6 1HB HYP 6 2.440 5.389 4.187
30 HG HYP 6 2HG HYP 6 1.058 7.552 4.861
31 HD22 HYP 6 1HD HYP 6 -1.270 6.837 3.666
32 HD23 HYP 6 2HD HYP 6 -1.028 6.706 5.421
33 HD1 HYP 6 1HG HYP 6 0.121 7.118 2.464
34 H GLY 7 H GLY 7 1.543 1.948 4.192
35 HA2 GLY 7 2HA GLY 7 2.428 0.549 5.950
36 HA3 GLY 7 1HA GLY 7 1.297 1.306 7.060
37 H ALA 8 H ALA 8 -0.081 0.622 4.040
38 HA ALA 8 HA ALA 8 -1.610 -1.597 5.174
39 HB1 ALA 8 1HB ALA 8 -2.846 0.292 4.222
40 HB2 ALA 8 2HB ALA 8 -3.178 -1.205 3.351
41 HB3 ALA 8 3HB ALA 8 -2.089 -0.003 2.657
42 H THR 9 H THR 9 -1.998 -3.530 3.997
43 HA THR 9 HA THR 9 0.326 -4.516 2.592
44 HB THR 9 HB THR 9 -2.202 -6.109 2.935
45 HG1 THR 9 1HG THR 9 -1.103 -6.669 5.063
46 HG21 THR 9 3HG2 THR 9 -0.622 -7.958 3.281
47 HG22 THR 9 1HG2 THR 9 0.729 -6.835 3.127
48 HG23 THR 9 2HG2 THR 9 -0.322 -7.146 1.744
49 H CYS 10 H CYS 10 0.509 -5.028 0.464
50 HA CYS 10 HA CYS 10 -1.586 -4.055 -1.333
51 HB2 CYS 10 2HB CYS 10 1.274 -4.859 -1.907
52 HB3 CYS 10 1HB CYS 10 0.154 -4.177 -3.080
53 H GLY 11 H GLY 11 -2.307 -5.269 -3.143
54 HA2 GLY 11 2HA GLY 11 -1.641 -7.841 -3.878
55 HA3 GLY 11 1HA GLY 11 -2.799 -8.027 -2.570
56 H LYS 12 H LYS 12 -4.135 -9.091 -4.168
57 HA LYS 12 HA LYS 12 -5.354 -7.344 -6.179
58 HB2 LYS 12 2HB LYS 12 -5.392 -10.327 -5.758
59 HB3 LYS 12 1HB LYS 12 -6.503 -9.535 -6.868
60 HG2 LYS 12 2HG LYS 12 -4.600 -8.648 -8.129
61 HG3 LYS 12 1HG LYS 12 -3.496 -9.468 -7.024
62 HD2 LYS 12 2HD LYS 12 -4.427 -11.628 -7.682
63 HD3 LYS 12 1HD LYS 12 -5.560 -10.817 -8.765
64 HE2 LYS 12 2HE LYS 12 -3.799 -11.576 -10.135
65 HE3 LYS 12 1HE LYS 12 -3.536 -9.847 -9.935
66 HZ1 LYS 12 3HZ LYS 12 -1.886 -10.332 -8.235
67 HZ2 LYS 12 1HZ LYS 12 -1.479 -11.085 -9.694
68 HZ3 LYS 12 2HZ LYS 12 -2.139 -11.992 -8.429
69 H LEU 13 H LEU 13 -6.255 -9.409 -3.431
70 HA LEU 13 HA LEU 13 -8.997 -8.406 -3.485
71 HB2 LEU 13 2HB LEU 13 -7.631 -10.508 -1.803
72 HB3 LEU 13 1HB LEU 13 -9.297 -10.020 -1.565
73 HG LEU 13 HG LEU 13 -9.488 -10.660 -4.133
74 HD11 LEU 13 1HD1 LEU 13 -7.124 -11.173 -4.426
75 HD12 LEU 13 2HD1 LEU 13 -8.115 -12.611 -4.664
76 HD13 LEU 13 3HD1 LEU 13 -7.223 -12.397 -3.159
77 HD21 LEU 13 3HD2 LEU 13 -9.438 -12.655 -1.873
78 HD22 LEU 13 1HD2 LEU 13 -10.219 -12.896 -3.435
79 HD23 LEU 13 2HD2 LEU 13 -10.801 -11.640 -2.342
80 H ARG 14 H ARG 14 -6.124 -7.387 -2.249
81 HA ARG 14 HA ARG 14 -7.134 -6.372 0.293
82 HB2 ARG 14 2HB ARG 14 -4.415 -6.416 -1.011
83 HB3 ARG 14 1HB ARG 14 -4.730 -5.466 0.435
84 HG2 ARG 14 2HG ARG 14 -5.063 -7.349 1.754
85 HG3 ARG 14 1HG ARG 14 -5.383 -8.385 0.362
86 HD2 ARG 14 2HD ARG 14 -3.070 -8.316 -0.287
87 HD3 ARG 14 1HD ARG 14 -2.710 -7.129 0.964
88 HE ARG 14 HE ARG 14 -3.715 -9.252 2.339
89 HH11 ARG 14 1HH1 ARG 14 -1.067 -8.905 0.058
90 HH12 ARG 14 2HH1 ARG 14 -0.145 -10.194 0.755
91 HH21 ARG 14 1HH2 ARG 14 -2.490 -10.936 3.236
92 HH22 ARG 14 2HH2 ARG 14 -0.952 -11.342 2.553
93 H LEU 15 H LEU 15 -6.406 -4.010 0.796
94 HA LEU 15 HA LEU 15 -7.758 -2.287 -1.058
95 HB2 LEU 15 2HB LEU 15 -7.282 -2.260 1.656
96 HB3 LEU 15 1HB LEU 15 -6.226 -0.990 1.075
97 HG LEU 15 HG LEU 15 -9.126 -1.025 0.291
98 HD11 LEU 15 1HD1 LEU 15 -9.082 -1.214 2.720
99 HD12 LEU 15 2HD1 LEU 15 -9.618 0.389 2.217
100 HD13 LEU 15 3HD1 LEU 15 -7.974 0.156 2.813
101 HD21 LEU 15 3HD2 LEU 15 -7.056 1.150 0.604
102 HD22 LEU 15 1HD2 LEU 15 -8.754 1.426 0.214
103 HD23 LEU 15 2HD2 LEU 15 -7.726 0.534 -0.906
104 H TYR 16 H TYR 16 -6.912 -0.408 -2.065
105 HA TYR 16 HA TYR 16 -4.253 -0.765 -3.141
106 HB2 TYR 16 2HB TYR 16 -6.458 1.217 -3.721
107 HB3 TYR 16 1HB TYR 16 -4.889 1.269 -4.519
108 HD1 TYR 16 2HD TYR 16 -4.264 -0.424 -6.149
109 HD2 TYR 16 1HD TYR 16 -8.055 -0.544 -4.223
110 HE1 TYR 16 2HE TYR 16 -5.058 -2.040 -7.825
111 HE2 TYR 16 1HE TYR 16 -8.859 -2.161 -5.892
112 HH TYR 16 HH TYR 16 -8.331 -2.850 -8.192
113 H CYS 17 H CYS 17 -2.705 1.013 -3.298
114 HA CYS 17 HA CYS 17 -2.437 2.401 -0.745
115 HB2 CYS 17 2HB CYS 17 -0.451 2.143 -3.008
116 HB3 CYS 17 1HB CYS 17 -0.120 2.760 -1.395
117 H CYS 18 H CYS 18 -2.382 4.578 -0.491
118 HA CYS 18 HA CYS 18 -3.553 6.227 -2.515
119 HB2 CYS 18 2HB CYS 18 -2.465 6.784 0.236
120 HB3 CYS 18 1HB CYS 18 -3.054 8.073 -0.807
121 H SER 19 H SER 19 -0.340 5.332 -1.834
122 HA SER 19 HA SER 19 0.832 7.728 -3.030
123 HB2 SER 19 2HB SER 19 2.147 5.284 -1.820
124 HB3 SER 19 1HB SER 19 2.998 6.712 -2.411
125 HG SER 19 HG SER 19 0.974 6.928 -0.460
126 H GLY 20 H GLY 20 0.151 4.384 -3.778
127 HA2 GLY 20 2HA GLY 20 -0.069 3.576 -5.991
128 HA3 GLY 20 1HA GLY 20 0.996 4.857 -6.542
129 H PHE 21 H PHE 21 2.881 4.103 -4.244
130 HA PHE 21 HA PHE 21 4.274 2.013 -5.736
131 HB2 PHE 21 2HB PHE 21 5.644 3.919 -5.358
132 HB3 PHE 21 1HB PHE 21 5.182 4.017 -3.669
133 HD1 PHE 21 1HD PHE 21 6.774 1.476 -5.944
134 HD2 PHE 21 2HD PHE 21 6.817 3.457 -2.173
135 HE1 PHE 21 1HE PHE 21 8.778 0.204 -5.294
136 HE2 PHE 21 2HE PHE 21 8.821 2.191 -1.529
137 HZ PHE 21 HZ PHE 21 9.799 0.566 -3.082
138 H CYS 22 H CYS 22 4.294 0.005 -5.122
139 HA CYS 22 HA CYS 22 3.698 -0.689 -2.321
140 HB2 CYS 22 2HB CYS 22 2.958 -1.997 -4.917
141 HB3 CYS 22 1HB CYS 22 3.129 -2.985 -3.471
142 H ASP 23 H ASP 23 5.290 -1.610 -1.207
143 HA ASP 23 HA ASP 23 7.704 -2.475 -2.588
144 HB2 ASP 23 2HB ASP 23 7.165 -1.272 -0.080
145 HB3 ASP 23 1HB ASP 23 7.861 -2.855 0.254
146 H SER 24 H SER 24 8.179 -4.507 -3.005
147 HA SER 24 HA SER 24 6.400 -6.637 -2.199
148 HB2 SER 24 2HB SER 24 7.309 -6.406 -4.521
149 HB3 SER 24 1HB SER 24 8.903 -6.815 -3.889
150 HG SER 24 HG SER 24 7.457 -8.561 -4.792
151 H TYR 25 H TYR 25 9.139 -5.283 -0.821
152 HA TYR 25 HA TYR 25 10.485 -7.609 0.140
153 HB2 TYR 25 2HB TYR 25 11.274 -5.102 -0.026
154 HB3 TYR 25 1HB TYR 25 10.594 -4.991 1.592
155 HD1 TYR 25 1HD TYR 25 13.262 -6.443 -0.457
156 HD2 TYR 25 2HD TYR 25 11.631 -6.143 3.461
157 HE1 TYR 25 1HE TYR 25 15.345 -7.362 0.474
158 HE2 TYR 25 2HE TYR 25 13.709 -7.061 4.403
159 HH TYR 25 HH TYR 25 15.606 -8.447 3.676
160 H THR 26 H THR 26 7.754 -5.760 1.216
161 HA THR 26 HA THR 26 7.303 -7.649 3.410
162 HB THR 26 HB THR 26 6.479 -5.721 4.840
163 HG1 THR 26 1HG THR 26 6.407 -4.097 3.262
164 HG21 THR 26 3HG2 THR 26 9.429 -5.789 4.183
165 HG22 THR 26 1HG2 THR 26 8.595 -6.855 5.314
166 HG23 THR 26 2HG2 THR 26 8.716 -5.130 5.657
167 H LYS 27 H LYS 27 6.187 -6.313 0.648
168 HA LYS 27 HA LYS 27 4.203 -6.082 -0.422
169 HB2 LYS 27 2HB LYS 27 3.385 -8.080 1.692
170 HB3 LYS 27 1HB LYS 27 2.294 -7.557 0.416
171 HG2 LYS 27 2HG LYS 27 3.858 -8.398 -1.266
172 HG3 LYS 27 1HG LYS 27 4.948 -8.927 0.017
173 HD2 LYS 27 2HD LYS 27 3.216 -10.433 0.867
174 HD3 LYS 27 1HD LYS 27 2.124 -9.901 -0.413
175 HE2 LYS 27 2HE LYS 27 3.684 -10.757 -2.094
176 HE3 LYS 27 1HE LYS 27 4.773 -11.289 -0.814
177 HZ1 LYS 27 3HZ LYS 27 3.049 -12.785 -0.019
178 HZ2 LYS 27 1HZ LYS 27 3.424 -13.111 -1.637
179 HZ3 LYS 27 2HZ LYS 27 2.006 -12.275 -1.249
180 H THR 28 H THR 28 4.675 -3.903 0.898
181 HA THR 28 HA THR 28 2.061 -3.079 1.967
182 HB THR 28 HB THR 28 3.287 -1.647 3.680
183 HG1 THR 28 1HG THR 28 5.374 -2.059 4.079
184 HG21 THR 28 3HG2 THR 28 3.443 -3.471 5.317
185 HG22 THR 28 1HG2 THR 28 3.387 -4.649 4.007
186 HG23 THR 28 2HG2 THR 28 1.993 -3.617 4.324
187 H CYS 29 H CYS 29 1.865 -0.699 2.169
188 HA CYS 29 HA CYS 29 2.674 0.558 -0.291
189 HB2 CYS 29 2HB CYS 29 1.164 1.772 2.026
190 HB3 CYS 29 1HB CYS 29 1.212 2.348 0.370
191 H LYS 30 H LYS 30 4.273 1.989 -0.605
192 HA LYS 30 HA LYS 30 5.482 3.355 1.693
193 HB2 LYS 30 2HB LYS 30 6.970 1.663 -0.315
194 HB3 LYS 30 1HB LYS 30 7.768 2.883 0.666
195 HG2 LYS 30 2HG LYS 30 6.703 1.607 2.661
196 HG3 LYS 30 1HG LYS 30 6.543 0.291 1.494
197 HD2 LYS 30 2HD LYS 30 8.946 0.388 1.052
198 HD3 LYS 30 1HD LYS 30 9.109 1.707 2.213
199 HE2 LYS 30 2HE LYS 30 8.319 0.232 3.998
200 HE3 LYS 30 1HE LYS 30 8.153 -1.085 2.837
201 HZ1 LYS 30 3HZ LYS 30 10.693 0.280 3.556
202 HZ2 LYS 30 1HZ LYS 30 10.536 -0.984 2.441
203 HZ3 LYS 30 2HZ LYS 30 10.215 -1.257 4.079
204 H ASP 31 H ASP 31 6.781 5.208 1.124
205 HA ASP 31 HA ASP 31 5.766 6.586 -1.233
206 HB2 ASP 31 2HB ASP 31 7.369 7.513 1.154
207 HB3 ASP 31 1HB ASP 31 6.996 8.559 -0.213
208 H LYS 32 H LYS 32 7.069 7.498 -2.844
209 HA LYS 32 HA LYS 32 9.621 6.132 -3.245
210 HB2 LYS 32 2HB LYS 32 7.670 7.514 -5.028
211 HB3 LYS 32 1HB LYS 32 9.350 7.437 -5.539
212 HG2 LYS 32 2HG LYS 32 9.283 4.990 -5.326
213 HG3 LYS 32 1HG LYS 32 7.582 5.093 -4.874
214 HD2 LYS 32 2HD LYS 32 6.993 5.977 -7.015
215 HD3 LYS 32 1HD LYS 32 8.690 6.167 -7.463
216 HE2 LYS 32 2HE LYS 32 8.979 3.743 -7.405
217 HE3 LYS 32 1HE LYS 32 7.291 3.546 -6.938
218 HZ1 LYS 32 3HZ LYS 32 6.631 4.537 -9.042
219 HZ2 LYS 32 1HZ LYS 32 7.602 3.175 -9.302
220 HZ3 LYS 32 2HZ LYS 32 8.251 4.725 -9.489
221 H SER 33 H SER 33 8.310 9.427 -3.088
222 HA SER 33 HA SER 33 11.031 10.522 -3.125
223 HB2 SER 33 2HB SER 33 9.863 12.728 -3.410
224 HB3 SER 33 1HB SER 33 9.572 11.584 -4.719
225 HG SER 33 HG SER 33 7.836 12.484 -2.711
226 H SER 34 H SER 34 11.881 11.654 -1.446
227 HA SER 34 HA SER 34 10.249 11.927 0.991
228 HB2 SER 34 2HB SER 34 11.842 9.990 1.118
229 HB3 SER 34 1HB SER 34 13.171 11.135 0.950
230 HG SER 34 HG SER 34 11.396 10.760 3.091
231 H ALA 35 H ALA 35 13.109 13.051 -0.787
232 HA ALA 35 HA ALA 35 12.812 15.678 0.519
233 HB1 ALA 35 1HB ALA 35 15.221 15.991 0.345
234 HB2 ALA 35 2HB ALA 35 15.389 14.399 -0.393
235 HB3 ALA 35 3HB ALA 35 14.846 14.543 1.279
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -16.380 5.357 -4.388
2 H2 GLY 1 2HT GLY 1 -15.935 6.575 -3.301
3 H3 GLY 1 3HT GLY 1 -16.059 4.974 -2.772
4 HA2 GLY 1 1HA GLY 1 -14.214 4.325 -4.191
5 HA3 GLY 1 2HA GLY 1 -14.084 5.989 -4.741
6 H TRP 2 H TRP 2 -13.284 3.721 -2.301
7 HA TRP 2 HA TRP 2 -12.197 5.766 -0.510
8 HB2 TRP 2 2HB TRP 2 -12.456 2.765 -0.189
9 HB3 TRP 2 1HB TRP 2 -11.733 3.832 1.008
10 HD1 TRP 2 HD TRP 2 -13.347 5.239 2.538
11 HE1 TRP 2 1HE TRP 2 -15.890 5.196 2.931
12 HE3 TRP 2 3HE TRP 2 -14.753 2.351 -1.454
13 HZ2 TRP 2 2HZ TRP 2 -18.183 4.092 1.718
14 HZ3 TRP 2 3HZ TRP 2 -17.141 1.852 -1.759
15 HH2 TRP 2 HH TRP 2 -18.819 2.705 -0.205
16 H CYS 3 H CYS 3 -10.018 5.753 0.167
17 HA CYS 3 HA CYS 3 -8.169 4.448 -1.721
18 HB2 CYS 3 2HB CYS 3 -8.233 6.944 -1.858
19 HB3 CYS 3 1HB CYS 3 -7.688 7.012 -0.186
20 H GLY 4 H GLY 4 -6.182 3.659 -0.910
21 HA2 GLY 4 2HA GLY 4 -6.387 2.591 1.788
22 HA3 GLY 4 1HA GLY 4 -5.206 2.143 0.571
23 H ASP 5 H ASP 5 -5.157 3.070 3.499
24 HA ASP 5 HA ASP 5 -3.514 5.463 3.380
25 HB2 ASP 5 2HB ASP 5 -4.545 3.760 5.650
26 HB3 ASP 5 1HB ASP 5 -3.428 5.094 5.907
27 HA HYP 6 HA HYP 6 0.533 3.555 3.423
28 HB2 HYP 6 2HB HYP 6 1.298 5.080 5.852
29 HB3 HYP 6 1HB HYP 6 2.037 5.085 4.238
30 HG HYP 6 2HG HYP 6 0.624 7.175 5.087
31 HD22 HYP 6 1HD HYP 6 -1.674 6.562 3.800
32 HD23 HYP 6 2HD HYP 6 -1.458 6.239 5.534
33 HD1 HYP 6 1HG HYP 6 0.682 7.677 3.002
34 H GLY 7 H GLY 7 1.122 1.610 4.080
35 HA2 GLY 7 2HA GLY 7 1.943 0.175 5.869
36 HA3 GLY 7 1HA GLY 7 0.684 0.839 6.898
37 H ALA 8 H ALA 8 -0.377 0.261 3.729
38 HA ALA 8 HA ALA 8 -1.969 -2.018 4.609
39 HB1 ALA 8 1HB ALA 8 -3.283 -1.639 2.599
40 HB2 ALA 8 2HB ALA 8 -2.119 -0.437 2.042
41 HB3 ALA 8 3HB ALA 8 -3.080 -0.129 3.488
42 H THR 9 H THR 9 -2.144 -3.959 3.387
43 HA THR 9 HA THR 9 0.386 -4.845 2.275
44 HB THR 9 HB THR 9 -1.990 -6.653 2.303
45 HG1 THR 9 1HG THR 9 -0.969 -6.856 4.702
46 HG21 THR 9 3HG2 THR 9 0.897 -7.000 3.129
47 HG22 THR 9 1HG2 THR 9 0.191 -7.498 1.591
48 HG23 THR 9 2HG2 THR 9 -0.319 -8.276 3.090
49 H CYS 10 H CYS 10 0.823 -5.282 0.188
50 HA CYS 10 HA CYS 10 -1.255 -4.666 -1.798
51 HB2 CYS 10 2HB CYS 10 1.748 -4.818 -2.151
52 HB3 CYS 10 1HB CYS 10 0.587 -4.304 -3.371
53 H GLY 11 H GLY 11 -2.090 -6.207 -3.043
54 HA2 GLY 11 2HA GLY 11 -1.757 -8.109 -4.519
55 HA3 GLY 11 1HA GLY 11 -0.611 -8.745 -3.351
56 H LYS 12 H LYS 12 -2.301 -8.182 -1.039
57 HA LYS 12 HA LYS 12 -4.044 -10.509 -1.255
58 HB2 LYS 12 2HB LYS 12 -3.024 -8.904 1.080
59 HB3 LYS 12 1HB LYS 12 -4.281 -10.117 1.267
60 HG2 LYS 12 2HG LYS 12 -2.757 -11.823 0.387
61 HG3 LYS 12 1HG LYS 12 -1.494 -10.601 0.228
62 HD2 LYS 12 2HD LYS 12 -1.563 -10.214 2.642
63 HD3 LYS 12 1HD LYS 12 -2.836 -11.426 2.803
64 HE2 LYS 12 2HE LYS 12 -1.306 -13.136 1.944
65 HE3 LYS 12 1HE LYS 12 -0.036 -11.923 1.794
66 HZ1 LYS 12 3HZ LYS 12 -1.340 -12.752 4.330
67 HZ2 LYS 12 1HZ LYS 12 -0.117 -11.591 4.185
68 HZ3 LYS 12 2HZ LYS 12 0.206 -13.212 3.820
69 H LEU 13 H LEU 13 -4.272 -7.050 -0.542
70 HA LEU 13 HA LEU 13 -7.174 -7.233 -0.253
71 HB2 LEU 13 2HB LEU 13 -5.160 -5.063 0.269
72 HB3 LEU 13 1HB LEU 13 -6.860 -4.678 0.144
73 HG LEU 13 HG LEU 13 -6.213 -4.827 2.466
74 HD11 LEU 13 1HD1 LEU 13 -8.465 -5.695 1.719
75 HD12 LEU 13 2HD1 LEU 13 -7.904 -6.208 3.310
76 HD13 LEU 13 3HD1 LEU 13 -7.804 -7.315 1.941
77 HD21 LEU 13 3HD2 LEU 13 -5.321 -7.647 1.887
78 HD22 LEU 13 1HD2 LEU 13 -5.426 -6.912 3.488
79 HD23 LEU 13 2HD2 LEU 13 -4.286 -6.280 2.300
80 H ARG 14 H ARG 14 -8.605 -5.894 -1.462
81 HA ARG 14 HA ARG 14 -7.807 -5.618 -4.248
82 HB2 ARG 14 2HB ARG 14 -10.467 -5.491 -2.834
83 HB3 ARG 14 1HB ARG 14 -10.292 -5.073 -4.532
84 HG2 ARG 14 2HG ARG 14 -9.463 -7.316 -5.011
85 HG3 ARG 14 1HG ARG 14 -9.609 -7.738 -3.304
86 HD2 ARG 14 2HD ARG 14 -12.023 -7.333 -3.416
87 HD3 ARG 14 1HD ARG 14 -11.871 -6.921 -5.125
88 HE ARG 14 HE ARG 14 -10.785 -9.456 -4.794
89 HH11 ARG 14 1HH1 ARG 14 -13.945 -7.960 -4.462
90 HH12 ARG 14 2HH1 ARG 14 -14.802 -9.418 -4.833
91 HH21 ARG 14 1HH2 ARG 14 -11.927 -11.353 -5.278
92 HH22 ARG 14 2HH2 ARG 14 -13.659 -11.337 -5.296
93 H LEU 15 H LEU 15 -7.903 -3.632 -1.552
94 HA LEU 15 HA LEU 15 -8.568 -1.181 -2.975
95 HB2 LEU 15 2HB LEU 15 -9.469 -1.384 -0.759
96 HB3 LEU 15 1HB LEU 15 -7.906 -1.787 -0.092
97 HG LEU 15 HG LEU 15 -7.147 0.541 -0.500
98 HD11 LEU 15 1HD1 LEU 15 -8.640 1.084 -2.380
99 HD12 LEU 15 2HD1 LEU 15 -8.721 2.277 -1.084
100 HD13 LEU 15 3HD1 LEU 15 -10.012 1.088 -1.269
101 HD21 LEU 15 3HD2 LEU 15 -8.419 1.555 1.290
102 HD22 LEU 15 1HD2 LEU 15 -8.104 -0.141 1.657
103 HD23 LEU 15 2HD2 LEU 15 -9.699 0.361 1.092
104 H TYR 16 H TYR 16 -7.156 0.344 -3.607
105 HA TYR 16 HA TYR 16 -4.320 -0.337 -3.577
106 HB2 TYR 16 2HB TYR 16 -5.894 1.745 -5.104
107 HB3 TYR 16 1HB TYR 16 -4.145 1.580 -5.208
108 HD1 TYR 16 2HD TYR 16 -7.367 0.090 -6.108
109 HD2 TYR 16 1HD TYR 16 -3.139 -0.296 -6.379
110 HE1 TYR 16 2HE TYR 16 -7.641 -1.593 -7.880
111 HE2 TYR 16 1HE TYR 16 -3.401 -1.979 -8.153
112 HH TYR 16 HH TYR 16 -6.343 -2.526 -9.748
113 H CYS 17 H CYS 17 -2.693 1.193 -3.007
114 HA CYS 17 HA CYS 17 -3.451 2.835 -0.732
115 HB2 CYS 17 2HB CYS 17 -0.823 1.826 -1.780
116 HB3 CYS 17 1HB CYS 17 -0.896 3.069 -0.535
117 H CYS 18 H CYS 18 -3.216 4.986 -0.541
118 HA CYS 18 HA CYS 18 -3.531 6.653 -2.739
119 HB2 CYS 18 2HB CYS 18 -2.523 7.417 0.002
120 HB3 CYS 18 1HB CYS 18 -3.242 8.504 -1.180
121 H SER 19 H SER 19 -0.569 5.418 -1.440
122 HA SER 19 HA SER 19 1.115 7.522 -2.495
123 HB2 SER 19 2HB SER 19 1.827 4.828 -1.312
124 HB3 SER 19 1HB SER 19 2.981 6.099 -1.717
125 HG SER 19 HG SER 19 1.910 7.437 -0.194
126 H GLY 20 H GLY 20 -0.022 4.375 -3.533
127 HA2 GLY 20 2HA GLY 20 -0.070 3.553 -5.712
128 HA3 GLY 20 1HA GLY 20 0.988 4.862 -6.206
129 H PHE 21 H PHE 21 2.951 4.143 -4.042
130 HA PHE 21 HA PHE 21 4.356 2.112 -5.575
131 HB2 PHE 21 2HB PHE 21 5.678 4.028 -5.077
132 HB3 PHE 21 1HB PHE 21 5.206 4.011 -3.387
133 HD1 PHE 21 1HD PHE 21 6.840 1.620 -5.787
134 HD2 PHE 21 2HD PHE 21 6.876 3.438 -1.934
135 HE1 PHE 21 1HE PHE 21 8.877 0.363 -5.211
136 HE2 PHE 21 2HE PHE 21 8.914 2.187 -1.364
137 HZ PHE 21 HZ PHE 21 9.912 0.651 -2.996
138 H CYS 22 H CYS 22 4.360 0.067 -5.086
139 HA CYS 22 HA CYS 22 3.810 -0.788 -2.323
140 HB2 CYS 22 2HB CYS 22 3.059 -1.993 -4.970
141 HB3 CYS 22 1HB CYS 22 3.181 -3.006 -3.536
142 H ASP 23 H ASP 23 5.429 -1.728 -1.288
143 HA ASP 23 HA ASP 23 7.831 -2.502 -2.735
144 HB2 ASP 23 2HB ASP 23 7.300 -1.425 -0.169
145 HB3 ASP 23 1HB ASP 23 8.028 -3.009 0.083
146 H SER 24 H SER 24 8.322 -4.499 -3.267
147 HA SER 24 HA SER 24 6.621 -6.707 -2.487
148 HB2 SER 24 2HB SER 24 8.992 -6.600 -4.363
149 HB3 SER 24 1HB SER 24 7.926 -7.989 -4.149
150 HG SER 24 HG SER 24 6.554 -5.695 -4.665
151 H TYR 25 H TYR 25 9.446 -5.351 -1.252
152 HA TYR 25 HA TYR 25 10.820 -7.718 -0.410
153 HB2 TYR 25 2HB TYR 25 11.685 -5.255 -0.663
154 HB3 TYR 25 1HB TYR 25 11.108 -5.079 0.988
155 HD1 TYR 25 2HD TYR 25 12.209 -6.246 2.822
156 HD2 TYR 25 1HD TYR 25 13.609 -6.648 -1.175
157 HE1 TYR 25 2HE TYR 25 14.309 -7.211 3.661
158 HE2 TYR 25 1HE TYR 25 15.713 -7.614 -0.347
159 HH TYR 25 HH TYR 25 17.056 -7.611 1.714
160 H THR 26 H THR 26 8.141 -5.926 0.772
161 HA THR 26 HA THR 26 7.923 -7.695 3.099
162 HB THR 26 HB THR 26 7.045 -5.727 4.440
163 HG1 THR 26 1HG THR 26 6.918 -3.899 3.399
164 HG21 THR 26 3HG2 THR 26 9.249 -6.690 4.875
165 HG22 THR 26 1HG2 THR 26 9.279 -4.939 5.089
166 HG23 THR 26 2HG2 THR 26 9.956 -5.662 3.628
167 H LYS 27 H LYS 27 6.584 -6.571 0.325
168 HA LYS 27 HA LYS 27 4.538 -6.545 -0.653
169 HB2 LYS 27 2HB LYS 27 3.981 -8.491 1.590
170 HB3 LYS 27 1HB LYS 27 2.794 -8.119 0.346
171 HG2 LYS 27 2HG LYS 27 4.331 -8.929 -1.370
172 HG3 LYS 27 1HG LYS 27 5.531 -9.288 -0.128
173 HD2 LYS 27 2HD LYS 27 3.982 -10.883 0.903
174 HD3 LYS 27 1HD LYS 27 2.786 -10.525 -0.346
175 HE2 LYS 27 2HE LYS 27 4.330 -11.346 -2.057
176 HE3 LYS 27 1HE LYS 27 5.528 -11.697 -0.811
177 HZ1 LYS 27 3HZ LYS 27 3.990 -13.286 0.166
178 HZ2 LYS 27 1HZ LYS 27 4.315 -13.681 -1.448
179 HZ3 LYS 27 2HZ LYS 27 2.845 -12.952 -1.034
180 H THR 28 H THR 28 5.040 -4.346 0.892
181 HA THR 28 HA THR 28 2.341 -3.606 1.809
182 HB THR 28 HB THR 28 3.434 -2.214 3.636
183 HG1 THR 28 1HG THR 28 5.500 -2.969 4.313
184 HG21 THR 28 3HG2 THR 28 2.171 -4.243 4.142
185 HG22 THR 28 1HG2 THR 28 3.563 -4.090 5.214
186 HG23 THR 28 2HG2 THR 28 3.612 -5.221 3.861
187 H CYS 29 H CYS 29 2.016 -1.270 1.976
188 HA CYS 29 HA CYS 29 3.049 0.053 -0.364
189 HB2 CYS 29 2HB CYS 29 1.156 1.109 1.736
190 HB3 CYS 29 1HB CYS 29 1.414 1.760 0.124
191 H LYS 30 H LYS 30 4.540 1.593 -0.488
192 HA LYS 30 HA LYS 30 5.474 2.919 1.966
193 HB2 LYS 30 2HB LYS 30 7.172 1.542 -0.113
194 HB3 LYS 30 1HB LYS 30 7.828 2.736 0.997
195 HG2 LYS 30 2HG LYS 30 6.878 1.231 2.851
196 HG3 LYS 30 1HG LYS 30 6.751 0.006 1.586
197 HD2 LYS 30 2HD LYS 30 9.141 0.223 1.127
198 HD3 LYS 30 1HD LYS 30 9.272 1.460 2.381
199 HE2 LYS 30 2HE LYS 30 8.562 -0.172 4.061
200 HE3 LYS 30 1HE LYS 30 8.430 -1.406 2.808
201 HZ1 LYS 30 3HZ LYS 30 10.803 -1.174 2.390
202 HZ2 LYS 30 1HZ LYS 30 10.513 -1.596 4.003
203 HZ3 LYS 30 2HZ LYS 30 10.925 -0.005 3.606
204 H ASP 31 H ASP 31 6.725 4.902 1.542
205 HA ASP 31 HA ASP 31 5.551 6.411 -0.652
206 HB2 ASP 31 2HB ASP 31 7.203 7.222 1.744
207 HB3 ASP 31 1HB ASP 31 6.717 8.357 0.488
208 H LYS 32 H LYS 32 6.578 7.009 -2.453
209 HA LYS 32 HA LYS 32 9.350 6.167 -2.830
210 HB2 LYS 32 2HB LYS 32 7.278 5.779 -4.437
211 HB3 LYS 32 1HB LYS 32 7.714 7.379 -5.019
212 HG2 LYS 32 2HG LYS 32 9.971 6.573 -5.531
213 HG3 LYS 32 1HG LYS 32 9.519 4.966 -4.960
214 HD2 LYS 32 2HD LYS 32 7.799 4.834 -6.697
215 HD3 LYS 32 1HD LYS 32 8.244 6.445 -7.263
216 HE2 LYS 32 2HE LYS 32 10.493 5.634 -7.792
217 HE3 LYS 32 1HE LYS 32 10.043 4.024 -7.230
218 HZ1 LYS 32 3HZ LYS 32 8.374 3.923 -8.976
219 HZ2 LYS 32 1HZ LYS 32 9.910 4.193 -9.634
220 HZ3 LYS 32 2HZ LYS 32 8.806 5.468 -9.513
221 H SER 33 H SER 33 11.002 7.535 -2.811
222 HA SER 33 HA SER 33 10.519 10.401 -3.272
223 HB2 SER 33 2HB SER 33 12.250 10.872 -1.509
224 HB3 SER 33 1HB SER 33 10.759 10.166 -0.887
225 HG SER 33 HG SER 33 12.279 8.134 -1.443
226 H SER 34 H SER 34 12.176 11.553 -4.256
227 HA SER 34 HA SER 34 14.224 9.898 -5.569
228 HB2 SER 34 2HB SER 34 14.295 11.748 -7.270
229 HB3 SER 34 1HB SER 34 12.747 10.909 -7.180
230 HG SER 34 HG SER 34 12.069 12.921 -7.046
231 H ALA 35 H ALA 35 16.337 10.357 -5.365
232 HA ALA 35 HA ALA 35 17.078 12.514 -3.522
233 HB1 ALA 35 1HB ALA 35 17.782 10.248 -2.912
234 HB2 ALA 35 2HB ALA 35 19.166 11.302 -3.196
235 HB3 ALA 35 3HB ALA 35 18.688 10.125 -4.419
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -9.400 4.111 -6.497
2 H2 GLY 1 2HT GLY 1 -10.725 5.158 -6.568
3 H3 GLY 1 3HT GLY 1 -10.655 3.814 -7.591
4 HA2 GLY 1 1HA GLY 1 -12.195 3.408 -5.783
5 HA3 GLY 1 2HA GLY 1 -10.819 2.316 -5.714
6 H TRP 2 H TRP 2 -10.820 1.911 -3.556
7 HA TRP 2 HA TRP 2 -10.735 4.153 -1.675
8 HB2 TRP 2 2HB TRP 2 -10.988 1.171 -1.226
9 HB3 TRP 2 1HB TRP 2 -10.902 2.360 0.068
10 HD1 TRP 2 HD TRP 2 -13.256 1.034 -2.630
11 HE1 TRP 2 1HE TRP 2 -15.640 1.867 -2.142
12 HE3 TRP 2 3HE TRP 2 -12.229 4.285 1.194
13 HZ2 TRP 2 2HZ TRP 2 -16.918 3.658 -0.381
14 HZ3 TRP 2 3HZ TRP 2 -14.094 5.517 2.222
15 HH2 TRP 2 HH TRP 2 -16.389 5.209 1.449
16 H CYS 3 H CYS 3 -8.935 4.799 -0.678
17 HA CYS 3 HA CYS 3 -6.478 3.239 -1.108
18 HB2 CYS 3 2HB CYS 3 -6.834 6.192 -0.563
19 HB3 CYS 3 1HB CYS 3 -5.280 5.381 -0.719
20 H GLY 4 H GLY 4 -5.030 2.900 0.571
21 HA2 GLY 4 2HA GLY 4 -6.247 2.974 3.241
22 HA3 GLY 4 1HA GLY 4 -4.923 1.938 2.742
23 H ASP 5 H ASP 5 -4.268 2.871 4.946
24 HA ASP 5 HA ASP 5 -3.008 5.504 4.757
25 HB2 ASP 5 2HB ASP 5 -3.516 3.594 7.036
26 HB3 ASP 5 1HB ASP 5 -2.463 4.991 7.219
27 HA HYP 6 HA HYP 6 1.157 4.102 3.948
28 HB2 HYP 6 2HB HYP 6 2.562 5.401 6.006
29 HB3 HYP 6 1HB HYP 6 2.194 6.084 4.411
30 HG HYP 6 2HG HYP 6 0.819 6.521 7.016
31 HD22 HYP 6 1HD HYP 6 -0.702 6.841 4.442
32 HD23 HYP 6 2HD HYP 6 -1.314 6.535 6.082
33 HD1 HYP 6 1HG HYP 6 1.970 8.007 5.159
34 H GLY 7 H GLY 7 1.664 2.070 4.323
35 HA2 GLY 7 2HA GLY 7 2.941 0.528 5.704
36 HA3 GLY 7 1HA GLY 7 2.102 1.178 7.105
37 H ALA 8 H ALA 8 0.079 0.795 4.415
38 HA ALA 8 HA ALA 8 -1.350 -1.393 5.672
39 HB1 ALA 8 1HB ALA 8 -2.005 0.188 3.185
40 HB2 ALA 8 2HB ALA 8 -2.576 0.549 4.815
41 HB3 ALA 8 3HB ALA 8 -3.080 -0.938 4.014
42 H THR 9 H THR 9 -1.968 -3.325 4.581
43 HA THR 9 HA THR 9 0.144 -4.503 3.031
44 HB THR 9 HB THR 9 -2.480 -5.901 3.363
45 HG1 THR 9 1HG THR 9 -2.323 -6.006 5.492
46 HG21 THR 9 3HG2 THR 9 -1.022 -7.823 3.813
47 HG22 THR 9 1HG2 THR 9 0.394 -6.776 3.716
48 HG23 THR 9 2HG2 THR 9 -0.601 -7.049 2.285
49 H CYS 10 H CYS 10 0.342 -4.496 0.904
50 HA CYS 10 HA CYS 10 -2.023 -3.951 -0.770
51 HB2 CYS 10 2HB CYS 10 -0.237 -2.229 -0.854
52 HB3 CYS 10 1HB CYS 10 0.893 -3.455 -1.416
53 H GLY 11 H GLY 11 -2.414 -5.190 -2.590
54 HA2 GLY 11 2HA GLY 11 -0.708 -7.116 -3.702
55 HA3 GLY 11 1HA GLY 11 -1.695 -7.911 -2.486
56 H LYS 12 H LYS 12 -2.960 -9.151 -3.760
57 HA LYS 12 HA LYS 12 -4.409 -7.915 -5.978
58 HB2 LYS 12 2HB LYS 12 -5.116 -10.282 -6.499
59 HB3 LYS 12 1HB LYS 12 -3.399 -9.956 -6.637
60 HG2 LYS 12 2HG LYS 12 -3.009 -11.043 -4.480
61 HG3 LYS 12 1HG LYS 12 -4.737 -11.350 -4.317
62 HD2 LYS 12 2HD LYS 12 -3.396 -12.314 -6.788
63 HD3 LYS 12 1HD LYS 12 -3.052 -13.175 -5.287
64 HE2 LYS 12 2HE LYS 12 -5.448 -13.532 -4.942
65 HE3 LYS 12 1HE LYS 12 -5.797 -12.656 -6.432
66 HZ1 LYS 12 3HZ LYS 12 -4.242 -15.181 -6.240
67 HZ2 LYS 12 1HZ LYS 12 -4.599 -14.347 -7.669
68 HZ3 LYS 12 2HZ LYS 12 -5.844 -15.052 -6.767
69 H LEU 13 H LEU 13 -5.016 -9.602 -2.930
70 HA LEU 13 HA LEU 13 -7.896 -9.289 -3.175
71 HB2 LEU 13 2HB LEU 13 -6.142 -10.484 -1.031
72 HB3 LEU 13 1HB LEU 13 -7.885 -10.360 -0.882
73 HG LEU 13 HG LEU 13 -6.783 -11.747 -3.283
74 HD11 LEU 13 1HD1 LEU 13 -6.925 -12.983 -0.536
75 HD12 LEU 13 2HD1 LEU 13 -5.458 -12.676 -1.466
76 HD13 LEU 13 3HD1 LEU 13 -6.639 -13.853 -2.043
77 HD21 LEU 13 3HD2 LEU 13 -9.170 -12.230 -1.500
78 HD22 LEU 13 1HD2 LEU 13 -8.789 -13.115 -2.977
79 HD23 LEU 13 2HD2 LEU 13 -9.189 -11.399 -3.055
80 H ARG 14 H ARG 14 -5.343 -7.396 -2.103
81 HA ARG 14 HA ARG 14 -6.869 -5.986 -0.046
82 HB2 ARG 14 2HB ARG 14 -3.999 -5.855 -0.964
83 HB3 ARG 14 1HB ARG 14 -4.679 -4.652 0.123
84 HG2 ARG 14 2HG ARG 14 -4.525 -6.016 1.890
85 HG3 ARG 14 1HG ARG 14 -5.207 -7.377 1.000
86 HD2 ARG 14 2HD ARG 14 -2.368 -6.453 0.629
87 HD3 ARG 14 1HD ARG 14 -2.828 -7.642 1.846
88 HE ARG 14 HE ARG 14 -3.710 -8.273 -0.827
89 HH11 ARG 14 1HH1 ARG 14 -1.093 -8.646 1.486
90 HH12 ARG 14 2HH1 ARG 14 -0.456 -10.057 0.709
91 HH21 ARG 14 2HH2 ARG 14 -2.862 -10.122 -1.823
92 HH22 ARG 14 1HH2 ARG 14 -1.458 -10.891 -1.162
93 H LEU 15 H LEU 15 -6.784 -3.543 -0.109
94 HA LEU 15 HA LEU 15 -7.842 -2.638 -2.628
95 HB2 LEU 15 2HB LEU 15 -8.340 -0.552 -1.443
96 HB3 LEU 15 1HB LEU 15 -8.921 -1.951 -0.569
97 HG LEU 15 HG LEU 15 -6.539 -1.606 0.665
98 HD11 LEU 15 1HD1 LEU 15 -7.456 1.159 -0.112
99 HD12 LEU 15 2HD1 LEU 15 -5.968 0.371 -0.638
100 HD13 LEU 15 3HD1 LEU 15 -6.195 0.778 1.062
101 HD21 LEU 15 3HD2 LEU 15 -8.582 -1.837 1.867
102 HD22 LEU 15 1HD2 LEU 15 -9.180 -0.290 1.266
103 HD23 LEU 15 2HD2 LEU 15 -7.827 -0.331 2.398
104 H TYR 16 H TYR 16 -7.172 -0.406 -3.468
105 HA TYR 16 HA TYR 16 -4.300 -0.454 -3.949
106 HB2 TYR 16 2HB TYR 16 -6.195 -0.178 -5.729
107 HB3 TYR 16 1HB TYR 16 -6.195 1.504 -5.214
108 HD1 TYR 16 1HD TYR 16 -4.309 -1.114 -6.946
109 HD2 TYR 16 2HD TYR 16 -4.305 2.956 -5.707
110 HE1 TYR 16 1HE TYR 16 -2.428 -0.660 -8.463
111 HE2 TYR 16 2HE TYR 16 -2.424 3.421 -7.221
112 HH TYR 16 HH TYR 16 -1.427 1.256 -9.634
113 H CYS 17 H CYS 17 -2.911 1.256 -3.572
114 HA CYS 17 HA CYS 17 -3.778 3.135 -1.499
115 HB2 CYS 17 2HB CYS 17 -1.042 2.205 -2.373
116 HB3 CYS 17 1HB CYS 17 -1.294 3.496 -1.203
117 H CYS 18 H CYS 18 -3.660 5.313 -1.701
118 HA CYS 18 HA CYS 18 -3.670 6.440 -4.322
119 HB2 CYS 18 2HB CYS 18 -4.007 7.502 -1.550
120 HB3 CYS 18 1HB CYS 18 -3.729 8.635 -2.868
121 H SER 19 H SER 19 -1.072 5.572 -2.460
122 HA SER 19 HA SER 19 0.641 7.843 -3.018
123 HB2 SER 19 2HB SER 19 1.269 5.130 -1.828
124 HB3 SER 19 1HB SER 19 2.400 6.478 -1.930
125 HG SER 19 HG SER 19 0.019 7.168 -0.785
126 H GLY 20 H GLY 20 -0.051 4.712 -4.404
127 HA2 GLY 20 2HA GLY 20 0.400 3.986 -6.563
128 HA3 GLY 20 1HA GLY 20 1.425 5.390 -6.796
129 H PHE 21 H PHE 21 2.141 3.555 -3.974
130 HA PHE 21 HA PHE 21 4.199 2.014 -5.390
131 HB2 PHE 21 2HB PHE 21 5.302 4.049 -4.586
132 HB3 PHE 21 1HB PHE 21 4.712 3.753 -2.958
133 HD1 PHE 21 2HD PHE 21 5.585 1.777 -1.687
134 HD2 PHE 21 1HD PHE 21 7.305 3.052 -5.366
135 HE1 PHE 21 2HE PHE 21 7.616 0.492 -1.178
136 HE2 PHE 21 1HE PHE 21 9.345 1.771 -4.851
137 HZ PHE 21 HZ PHE 21 9.489 0.493 -2.744
138 H CYS 22 H CYS 22 3.830 -0.016 -4.986
139 HA CYS 22 HA CYS 22 3.050 -0.853 -2.274
140 HB2 CYS 22 2HB CYS 22 2.358 -2.031 -4.965
141 HB3 CYS 22 1HB CYS 22 2.177 -2.941 -3.470
142 H ASP 23 H ASP 23 4.806 -1.556 -1.239
143 HA ASP 23 HA ASP 23 7.088 -2.665 -2.586
144 HB2 ASP 23 2HB ASP 23 6.569 -1.538 -0.043
145 HB3 ASP 23 1HB ASP 23 7.149 -3.174 0.245
146 H SER 24 H SER 24 7.346 -4.685 -3.197
147 HA SER 24 HA SER 24 5.520 -6.764 -2.333
148 HB2 SER 24 2HB SER 24 7.766 -6.815 -4.360
149 HB3 SER 24 1HB SER 24 6.614 -8.122 -4.088
150 HG SER 24 HG SER 24 5.598 -5.574 -4.604
151 H TYR 25 H TYR 25 8.465 -5.627 -1.218
152 HA TYR 25 HA TYR 25 9.699 -8.122 -0.493
153 HB2 TYR 25 2HB TYR 25 10.766 -5.745 -0.849
154 HB3 TYR 25 1HB TYR 25 10.363 -5.526 0.848
155 HD1 TYR 25 2HD TYR 25 11.510 -6.805 2.576
156 HD2 TYR 25 1HD TYR 25 12.490 -7.315 -1.533
157 HE1 TYR 25 2HE TYR 25 13.576 -7.973 3.219
158 HE2 TYR 25 1HE TYR 25 14.559 -8.486 -0.901
159 HH TYR 25 HH TYR 25 16.079 -8.627 1.023
160 H THR 26 H THR 26 7.338 -6.027 0.899
161 HA THR 26 HA THR 26 7.129 -7.772 3.246
162 HB THR 26 HB THR 26 6.606 -5.724 4.650
163 HG1 THR 26 1HG THR 26 7.639 -3.769 3.806
164 HG21 THR 26 3HG2 THR 26 8.717 -6.937 4.886
165 HG22 THR 26 1HG2 THR 26 8.965 -5.203 5.091
166 HG23 THR 26 2HG2 THR 26 9.420 -5.986 3.578
167 H LYS 27 H LYS 27 5.664 -6.551 0.599
168 HA LYS 27 HA LYS 27 3.550 -6.305 -0.183
169 HB2 LYS 27 2HB LYS 27 2.998 -8.117 2.169
170 HB3 LYS 27 1HB LYS 27 1.735 -7.621 1.052
171 HG2 LYS 27 2HG LYS 27 2.983 -8.634 -0.798
172 HG3 LYS 27 1HG LYS 27 4.233 -9.147 0.337
173 HD2 LYS 27 2HD LYS 27 2.585 -10.507 1.534
174 HD3 LYS 27 1HD LYS 27 1.333 -9.986 0.404
175 HE2 LYS 27 2HE LYS 27 2.579 -11.018 -1.438
176 HE3 LYS 27 1HE LYS 27 3.819 -11.544 -0.301
177 HZ1 LYS 27 3HZ LYS 27 0.969 -12.382 -0.254
178 HZ2 LYS 27 1HZ LYS 27 2.166 -12.897 0.825
179 HZ3 LYS 27 2HZ LYS 27 2.261 -13.321 -0.810
180 H THR 28 H THR 28 4.382 -4.095 1.053
181 HA THR 28 HA THR 28 1.925 -3.028 2.259
182 HB THR 28 HB THR 28 3.367 -1.654 3.841
183 HG1 THR 28 1HG THR 28 5.327 -3.378 4.186
184 HG21 THR 28 3HG2 THR 28 3.487 -3.434 5.529
185 HG22 THR 28 1HG2 THR 28 3.252 -4.643 4.267
186 HG23 THR 28 2HG2 THR 28 1.968 -3.491 4.635
187 H CYS 29 H CYS 29 1.659 -0.778 2.097
188 HA CYS 29 HA CYS 29 2.802 0.339 -0.311
189 HB2 CYS 29 2HB CYS 29 0.656 1.280 1.587
190 HB3 CYS 29 1HB CYS 29 1.181 2.212 0.194
191 H LYS 30 H LYS 30 4.268 1.933 -0.469
192 HA LYS 30 HA LYS 30 5.044 3.427 1.946
193 HB2 LYS 30 2HB LYS 30 6.960 1.956 0.130
194 HB3 LYS 30 1HB LYS 30 7.463 3.130 1.325
195 HG2 LYS 30 2HG LYS 30 6.340 1.651 3.050
196 HG3 LYS 30 1HG LYS 30 6.224 0.434 1.775
197 HD2 LYS 30 2HD LYS 30 8.650 0.492 1.491
198 HD3 LYS 30 1HD LYS 30 8.773 1.719 2.755
199 HE2 LYS 30 2HE LYS 30 7.834 0.138 4.372
200 HE3 LYS 30 1HE LYS 30 7.717 -1.085 3.108
201 HZ1 LYS 30 3HZ LYS 30 9.690 -1.399 4.463
202 HZ2 LYS 30 1HZ LYS 30 10.233 0.157 4.083
203 HZ3 LYS 30 2HZ LYS 30 10.121 -1.018 2.873
204 H ASP 31 H ASP 31 6.643 5.233 1.351
205 HA ASP 31 HA ASP 31 5.562 6.687 -0.927
206 HB2 ASP 31 2HB ASP 31 7.381 7.487 1.350
207 HB3 ASP 31 1HB ASP 31 6.987 8.569 0.018
208 H LYS 32 H LYS 32 6.911 7.715 -2.514
209 HA LYS 32 HA LYS 32 9.190 6.060 -3.273
210 HB2 LYS 32 2HB LYS 32 7.593 8.169 -4.724
211 HB3 LYS 32 1HB LYS 32 9.073 7.496 -5.389
212 HG2 LYS 32 2HG LYS 32 8.065 5.253 -5.304
213 HG3 LYS 32 1HG LYS 32 6.568 5.972 -4.707
214 HD2 LYS 32 2HD LYS 32 6.379 7.290 -6.755
215 HD3 LYS 32 1HD LYS 32 7.887 6.592 -7.350
216 HE2 LYS 32 2HE LYS 32 6.868 4.368 -7.315
217 HE3 LYS 32 1HE LYS 32 5.362 5.067 -6.722
218 HZ1 LYS 32 3HZ LYS 32 6.639 5.668 -9.336
219 HZ2 LYS 32 1HZ LYS 32 5.197 6.347 -8.767
220 HZ3 LYS 32 2HZ LYS 32 5.279 4.690 -9.102
221 H SER 33 H SER 33 11.241 6.872 -3.773
222 HA SER 33 HA SER 33 11.859 9.565 -2.754
223 HB2 SER 33 2HB SER 33 12.531 7.754 -1.147
224 HB3 SER 33 1HB SER 33 13.619 7.129 -2.385
225 HG SER 33 HG SER 33 15.000 8.566 -1.759
226 H SER 34 H SER 34 12.995 10.808 -4.090
227 HA SER 34 HA SER 34 14.167 9.578 -6.495
228 HB2 SER 34 2HB SER 34 13.195 12.413 -6.055
229 HB3 SER 34 1HB SER 34 13.899 11.798 -7.551
230 HG SER 34 HG SER 34 11.408 11.245 -6.389
231 H ALA 35 H ALA 35 16.212 10.167 -7.191
232 HA ALA 35 HA ALA 35 17.938 11.316 -5.117
233 HB1 ALA 35 1HB ALA 35 18.685 9.688 -7.545
234 HB2 ALA 35 2HB ALA 35 18.512 9.070 -5.902
235 HB3 ALA 35 3HB ALA 35 19.785 10.230 -6.277
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -12.843 5.419 -4.527
2 H2 GLY 1 2HT GLY 1 -13.389 4.005 -5.279
3 H3 GLY 1 3HT GLY 1 -11.812 4.085 -4.675
4 HA2 GLY 1 1HA GLY 1 -14.299 4.170 -3.056
5 HA3 GLY 1 2HA GLY 1 -13.228 2.786 -3.208
6 H TRP 2 H TRP 2 -11.986 2.505 -1.503
7 HA TRP 2 HA TRP 2 -11.306 4.781 0.207
8 HB2 TRP 2 2HB TRP 2 -11.135 1.796 0.648
9 HB3 TRP 2 1HB TRP 2 -10.525 2.980 1.798
10 HD1 TRP 2 HD TRP 2 -13.756 1.462 0.489
11 HE1 TRP 2 1HE TRP 2 -15.706 2.191 2.001
12 HE3 TRP 2 3HE TRP 2 -11.320 4.934 3.362
13 HZ2 TRP 2 2HZ TRP 2 -16.156 3.992 4.122
14 HZ3 TRP 2 3HZ TRP 2 -12.589 6.111 5.109
15 HH2 TRP 2 HH TRP 2 -14.957 5.649 5.480
16 H CYS 3 H CYS 3 -9.201 5.273 0.822
17 HA CYS 3 HA CYS 3 -7.136 4.372 -1.056
18 HB2 CYS 3 2HB CYS 3 -7.761 6.872 -0.565
19 HB3 CYS 3 1HB CYS 3 -6.760 6.643 0.863
20 H GLY 4 H GLY 4 -5.123 3.632 -0.360
21 HA2 GLY 4 2HA GLY 4 -5.147 2.454 2.327
22 HA3 GLY 4 1HA GLY 4 -4.120 1.957 0.992
23 H ASP 5 H ASP 5 -3.993 3.224 3.930
24 HA ASP 5 HA ASP 5 -2.023 5.314 3.451
25 HB2 ASP 5 2HB ASP 5 -3.337 4.244 5.952
26 HB3 ASP 5 1HB ASP 5 -2.040 5.432 6.000
27 HA HYP 6 HA HYP 6 1.665 2.848 4.021
28 HB2 HYP 6 2HB HYP 6 2.645 4.676 6.142
29 HB3 HYP 6 1HB HYP 6 3.384 4.260 4.582
30 HG HYP 6 2HG HYP 6 2.314 6.665 4.968
31 HD22 HYP 6 1HD HYP 6 -0.052 6.184 3.762
32 HD23 HYP 6 2HD HYP 6 0.114 6.151 5.530
33 HD1 HYP 6 1HG HYP 6 2.441 6.739 2.827
34 H GLY 7 H GLY 7 2.076 1.037 5.099
35 HA2 GLY 7 2HA GLY 7 2.644 -0.062 7.205
36 HA3 GLY 7 1HA GLY 7 1.376 0.885 7.966
37 H ALA 8 H ALA 8 0.101 0.062 5.081
38 HA ALA 8 HA ALA 8 -1.342 -2.217 6.218
39 HB1 ALA 8 1HB ALA 8 -2.667 -0.332 5.390
40 HB2 ALA 8 2HB ALA 8 -2.998 -1.804 4.477
41 HB3 ALA 8 3HB ALA 8 -1.972 -0.549 3.784
42 H THR 9 H THR 9 -1.709 -4.131 5.025
43 HA THR 9 HA THR 9 0.547 -4.931 3.377
44 HB THR 9 HB THR 9 -1.716 -6.800 3.955
45 HG1 THR 9 1HG THR 9 -0.809 -5.391 5.896
46 HG21 THR 9 3HG2 THR 9 0.122 -8.403 4.260
47 HG22 THR 9 1HG2 THR 9 1.292 -7.106 4.016
48 HG23 THR 9 2HG2 THR 9 0.229 -7.594 2.697
49 H CYS 10 H CYS 10 0.524 -4.955 1.226
50 HA CYS 10 HA CYS 10 -2.071 -5.069 -0.164
51 HB2 CYS 10 2HB CYS 10 -1.167 -3.619 -1.909
52 HB3 CYS 10 1HB CYS 10 -1.085 -2.825 -0.342
53 H GLY 11 H GLY 11 -2.336 -6.760 -1.412
54 HA2 GLY 11 2HA GLY 11 -0.159 -7.860 -2.989
55 HA3 GLY 11 1HA GLY 11 -0.788 -8.929 -1.743
56 H LYS 12 H LYS 12 -3.457 -8.464 -1.808
57 HA LYS 12 HA LYS 12 -4.218 -9.589 -4.397
58 HB2 LYS 12 2HB LYS 12 -5.569 -9.495 -1.702
59 HB3 LYS 12 1HB LYS 12 -6.427 -9.999 -3.151
60 HG2 LYS 12 2HG LYS 12 -4.798 -11.804 -3.475
61 HG3 LYS 12 1HG LYS 12 -3.970 -11.307 -1.998
62 HD2 LYS 12 2HD LYS 12 -5.990 -11.767 -0.703
63 HD3 LYS 12 1HD LYS 12 -6.836 -12.237 -2.177
64 HE2 LYS 12 2HE LYS 12 -6.167 -14.254 -1.159
65 HE3 LYS 12 1HE LYS 12 -5.038 -13.994 -2.486
66 HZ1 LYS 12 3HZ LYS 12 -4.516 -13.375 0.372
67 HZ2 LYS 12 1HZ LYS 12 -3.430 -13.131 -0.903
68 HZ3 LYS 12 2HZ LYS 12 -3.897 -14.700 -0.479
69 H LEU 13 H LEU 13 -6.393 -8.905 -5.291
70 HA LEU 13 HA LEU 13 -6.421 -6.030 -5.555
71 HB2 LEU 13 2HB LEU 13 -8.057 -8.201 -6.866
72 HB3 LEU 13 1HB LEU 13 -8.268 -6.496 -7.211
73 HG LEU 13 HG LEU 13 -5.674 -6.635 -7.747
74 HD11 LEU 13 1HD1 LEU 13 -6.632 -9.446 -8.280
75 HD12 LEU 13 2HD1 LEU 13 -5.419 -8.969 -7.092
76 HD13 LEU 13 3HD1 LEU 13 -5.098 -8.759 -8.813
77 HD21 LEU 13 3HD2 LEU 13 -6.261 -7.022 -10.097
78 HD22 LEU 13 1HD2 LEU 13 -7.390 -5.920 -9.306
79 HD23 LEU 13 2HD2 LEU 13 -7.851 -7.598 -9.596
80 H ARG 14 H ARG 14 -7.095 -5.249 -3.589
81 HA ARG 14 HA ARG 14 -9.975 -5.367 -3.110
82 HB2 ARG 14 2HB ARG 14 -7.872 -6.015 -1.043
83 HB3 ARG 14 1HB ARG 14 -9.485 -5.480 -0.598
84 HG2 ARG 14 2HG ARG 14 -10.445 -7.405 -1.768
85 HG3 ARG 14 1HG ARG 14 -8.820 -7.945 -2.199
86 HD2 ARG 14 2HD ARG 14 -8.263 -8.163 0.172
87 HD3 ARG 14 1HD ARG 14 -9.883 -7.616 0.605
88 HE ARG 14 HE ARG 14 -10.087 -9.841 -1.100
89 HH11 ARG 14 2HH1 ARG 14 -9.111 -9.099 2.191
90 HH12 ARG 14 1HH1 ARG 14 -9.515 -10.674 2.788
91 HH21 ARG 14 2HH2 ARG 14 -10.610 -11.895 -0.296
92 HH22 ARG 14 1HH2 ARG 14 -10.362 -12.255 1.380
93 H LEU 15 H LEU 15 -6.873 -3.905 -2.165
94 HA LEU 15 HA LEU 15 -8.184 -1.272 -2.124
95 HB2 LEU 15 2HB LEU 15 -7.303 -2.549 0.150
96 HB3 LEU 15 1HB LEU 15 -5.926 -1.553 -0.272
97 HG LEU 15 HG LEU 15 -8.693 -0.387 -0.027
98 HD11 LEU 15 1HD1 LEU 15 -6.631 -0.620 2.159
99 HD12 LEU 15 2HD1 LEU 15 -8.137 -1.535 2.074
100 HD13 LEU 15 3HD1 LEU 15 -8.180 0.218 2.259
101 HD21 LEU 15 3HD2 LEU 15 -5.907 0.763 0.087
102 HD22 LEU 15 1HD2 LEU 15 -7.366 1.665 0.496
103 HD23 LEU 15 2HD2 LEU 15 -7.138 1.055 -1.142
104 H TYR 16 H TYR 16 -6.889 0.476 -2.761
105 HA TYR 16 HA TYR 16 -4.474 -0.288 -4.262
106 HB2 TYR 16 2HB TYR 16 -6.599 0.757 -5.378
107 HB3 TYR 16 1HB TYR 16 -5.982 2.269 -4.722
108 HD1 TYR 16 2HD TYR 16 -5.363 -0.440 -7.130
109 HD2 TYR 16 1HD TYR 16 -4.016 3.315 -5.651
110 HE1 TYR 16 2HE TYR 16 -3.880 -0.212 -9.078
111 HE2 TYR 16 1HE TYR 16 -2.530 3.555 -7.595
112 HH TYR 16 HH TYR 16 -1.420 2.115 -9.253
113 H CYS 17 H CYS 17 -2.746 1.307 -4.402
114 HA CYS 17 HA CYS 17 -2.074 2.411 -1.824
115 HB2 CYS 17 2HB CYS 17 -0.655 1.468 -4.083
116 HB3 CYS 17 1HB CYS 17 -0.210 3.155 -3.878
117 H CYS 18 H CYS 18 -1.923 4.520 -1.232
118 HA CYS 18 HA CYS 18 -3.468 6.467 -2.594
119 HB2 CYS 18 2HB CYS 18 -1.609 6.596 -0.232
120 HB3 CYS 18 1HB CYS 18 -2.405 8.035 -0.861
121 H SER 19 H SER 19 0.005 5.873 -2.428
122 HA SER 19 HA SER 19 0.569 8.218 -4.088
123 HB2 SER 19 2HB SER 19 1.965 7.720 -2.057
124 HB3 SER 19 1HB SER 19 2.536 6.266 -2.872
125 HG SER 19 HG SER 19 2.949 8.080 -4.620
126 H GLY 20 H GLY 20 0.430 4.741 -4.231
127 HA2 GLY 20 2HA GLY 20 0.095 3.561 -6.265
128 HA3 GLY 20 1HA GLY 20 0.926 4.850 -7.121
129 H PHE 21 H PHE 21 2.148 3.334 -4.188
130 HA PHE 21 HA PHE 21 4.072 1.753 -5.715
131 HB2 PHE 21 2HB PHE 21 5.370 3.709 -5.446
132 HB3 PHE 21 1HB PHE 21 4.781 3.987 -3.816
133 HD1 PHE 21 1HD PHE 21 6.787 1.494 -5.766
134 HD2 PHE 21 2HD PHE 21 6.155 3.469 -2.044
135 HE1 PHE 21 1HE PHE 21 8.788 0.396 -4.843
136 HE2 PHE 21 2HE PHE 21 8.158 2.376 -1.125
137 HZ PHE 21 HZ PHE 21 9.471 0.842 -2.520
138 H CYS 22 H CYS 22 4.066 -0.224 -4.961
139 HA CYS 22 HA CYS 22 3.522 -0.688 -2.103
140 HB2 CYS 22 2HB CYS 22 2.546 -2.030 -4.544
141 HB3 CYS 22 1HB CYS 22 3.055 -3.114 -3.254
142 H ASP 23 H ASP 23 5.128 -1.517 -0.947
143 HA ASP 23 HA ASP 23 7.593 -2.313 -2.225
144 HB2 ASP 23 2HB ASP 23 6.859 -1.245 0.297
145 HB3 ASP 23 1HB ASP 23 7.627 -2.801 0.602
146 H SER 24 H SER 24 8.159 -4.298 -2.736
147 HA SER 24 HA SER 24 6.496 -6.554 -2.001
148 HB2 SER 24 2HB SER 24 7.322 -6.184 -4.335
149 HB3 SER 24 1HB SER 24 8.954 -6.521 -3.762
150 HG SER 24 HG SER 24 8.202 -8.597 -3.126
151 H TYR 25 H TYR 25 9.193 -5.090 -0.658
152 HA TYR 25 HA TYR 25 10.636 -7.413 0.219
153 HB2 TYR 25 2HB TYR 25 11.427 -4.918 -0.043
154 HB3 TYR 25 1HB TYR 25 10.832 -4.764 1.604
155 HD1 TYR 25 1HD TYR 25 13.388 -6.267 -0.544
156 HD2 TYR 25 2HD TYR 25 11.956 -5.888 3.445
157 HE1 TYR 25 1HE TYR 25 15.512 -7.175 0.299
158 HE2 TYR 25 2HE TYR 25 14.077 -6.794 4.299
159 HH TYR 25 HH TYR 25 16.844 -7.129 2.366
160 H THR 26 H THR 26 7.891 -5.665 1.331
161 HA THR 26 HA THR 26 7.668 -7.423 3.666
162 HB THR 26 HB THR 26 6.726 -5.467 4.980
163 HG1 THR 26 1HG THR 26 7.094 -3.432 4.247
164 HG21 THR 26 3HG2 THR 26 8.943 -6.380 5.460
165 HG22 THR 26 1HG2 THR 26 8.932 -4.628 5.662
166 HG23 THR 26 2HG2 THR 26 9.649 -5.345 4.218
167 H LYS 27 H LYS 27 6.345 -6.309 0.869
168 HA LYS 27 HA LYS 27 4.315 -6.323 -0.137
169 HB2 LYS 27 2HB LYS 27 3.763 -8.299 2.081
170 HB3 LYS 27 1HB LYS 27 2.590 -7.940 0.821
171 HG2 LYS 27 2HG LYS 27 4.170 -8.704 -0.876
172 HG3 LYS 27 1HG LYS 27 5.357 -9.051 0.383
173 HD2 LYS 27 2HD LYS 27 3.823 -10.684 1.373
174 HD3 LYS 27 1HD LYS 27 2.641 -10.338 0.110
175 HE2 LYS 27 2HE LYS 27 4.227 -11.113 -1.584
176 HE3 LYS 27 1HE LYS 27 5.410 -11.455 -0.323
177 HZ1 LYS 27 3HZ LYS 27 2.753 -12.754 -0.597
178 HZ2 LYS 27 1HZ LYS 27 3.890 -13.084 0.611
179 HZ3 LYS 27 2HZ LYS 27 4.238 -13.452 -1.004
180 H THR 28 H THR 28 4.629 -4.061 1.127
181 HA THR 28 HA THR 28 1.982 -3.475 2.277
182 HB THR 28 HB THR 28 3.132 -1.783 3.794
183 HG1 THR 28 1HG THR 28 5.220 -2.141 2.609
184 HG21 THR 28 3HG2 THR 28 3.612 -4.725 4.291
185 HG22 THR 28 1HG2 THR 28 2.147 -3.824 4.683
186 HG23 THR 28 2HG2 THR 28 3.655 -3.462 5.522
187 H CYS 29 H CYS 29 1.386 -1.194 2.207
188 HA CYS 29 HA CYS 29 2.130 -0.001 -0.326
189 HB2 CYS 29 2HB CYS 29 -0.140 0.086 1.455
190 HB3 CYS 29 1HB CYS 29 0.374 1.718 1.047
191 H LYS 30 H LYS 30 3.643 1.488 -0.575
192 HA LYS 30 HA LYS 30 4.340 3.252 1.680
193 HB2 LYS 30 2HB LYS 30 6.221 1.756 -0.147
194 HB3 LYS 30 1HB LYS 30 6.736 3.117 0.839
195 HG2 LYS 30 2HG LYS 30 5.813 1.766 2.820
196 HG3 LYS 30 1HG LYS 30 5.828 0.398 1.706
197 HD2 LYS 30 2HD LYS 30 8.216 0.738 1.312
198 HD3 LYS 30 1HD LYS 30 8.205 2.117 2.413
199 HE2 LYS 30 2HE LYS 30 7.534 0.642 4.248
200 HE3 LYS 30 1HE LYS 30 7.548 -0.734 3.146
201 HZ1 LYS 30 3HZ LYS 30 9.897 0.936 3.867
202 HZ2 LYS 30 1HZ LYS 30 9.916 -0.372 2.793
203 HZ3 LYS 30 2HZ LYS 30 9.583 -0.628 4.431
204 H ASP 31 H ASP 31 5.601 5.202 0.966
205 HA ASP 31 HA ASP 31 4.334 6.371 -1.378
206 HB2 ASP 31 2HB ASP 31 6.038 7.539 0.826
207 HB3 ASP 31 1HB ASP 31 5.481 8.479 -0.555
208 H LYS 32 H LYS 32 5.402 7.203 -3.154
209 HA LYS 32 HA LYS 32 8.067 6.092 -3.637
210 HB2 LYS 32 2HB LYS 32 5.902 5.959 -5.192
211 HB3 LYS 32 1HB LYS 32 6.537 7.488 -5.780
212 HG2 LYS 32 2HG LYS 32 8.651 6.406 -6.342
213 HG3 LYS 32 1HG LYS 32 8.031 4.870 -5.731
214 HD2 LYS 32 2HD LYS 32 6.257 4.921 -7.423
215 HD3 LYS 32 1HD LYS 32 6.888 6.451 -8.035
216 HE2 LYS 32 2HE LYS 32 9.001 5.353 -8.597
217 HE3 LYS 32 1HE LYS 32 8.373 3.826 -7.980
218 HZ1 LYS 32 3HZ LYS 32 6.661 3.882 -9.682
219 HZ2 LYS 32 1HZ LYS 32 8.198 3.951 -10.385
220 HZ3 LYS 32 2HZ LYS 32 7.257 5.351 -10.272
221 H SER 33 H SER 33 6.318 9.182 -3.787
222 HA SER 33 HA SER 33 8.913 10.582 -3.840
223 HB2 SER 33 2HB SER 33 6.293 11.480 -5.066
224 HB3 SER 33 1HB SER 33 7.782 12.424 -5.039
225 HG SER 33 HG SER 33 7.795 9.832 -6.121
226 H SER 34 H SER 34 9.208 12.295 -2.472
227 HA SER 34 HA SER 34 7.032 12.908 -0.584
228 HB2 SER 34 2HB SER 34 9.957 12.520 0.100
229 HB3 SER 34 1HB SER 34 8.710 13.051 1.228
230 HG SER 34 HG SER 34 9.366 10.566 0.536
231 H ALA 35 H ALA 35 10.066 14.013 -2.052
232 HA ALA 35 HA ALA 35 9.430 16.783 -1.330
233 HB1 ALA 35 1HB ALA 35 11.678 15.983 -0.778
234 HB2 ALA 35 2HB ALA 35 11.729 17.302 -1.947
235 HB3 ALA 35 3HB ALA 35 11.973 15.639 -2.482
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -12.128 3.230 -4.408
2 H2 GLY 1 2HT GLY 1 -13.423 2.164 -4.619
3 H3 GLY 1 3HT GLY 1 -12.248 1.846 -3.443
4 HA2 GLY 1 1HA GLY 1 -14.148 4.128 -3.429
5 HA3 GLY 1 2HA GLY 1 -14.272 2.690 -2.426
6 H TRP 2 H TRP 2 -12.005 2.235 -1.299
7 HA TRP 2 HA TRP 2 -11.422 4.654 0.245
8 HB2 TRP 2 2HB TRP 2 -10.806 1.739 0.794
9 HB3 TRP 2 1HB TRP 2 -10.333 3.067 1.846
10 HD1 TRP 2 HD TRP 2 -12.236 4.228 3.305
11 HE1 TRP 2 1HE TRP 2 -14.607 3.484 3.967
12 HE3 TRP 2 3HE TRP 2 -12.885 0.436 -0.079
13 HZ2 TRP 2 2HZ TRP 2 -16.501 1.554 3.168
14 HZ3 TRP 2 3HZ TRP 2 -15.008 -0.806 -0.057
15 HH2 TRP 2 HH TRP 2 -16.777 -0.258 1.532
16 H CYS 3 H CYS 3 -9.286 5.302 0.730
17 HA CYS 3 HA CYS 3 -7.329 4.543 -1.324
18 HB2 CYS 3 2HB CYS 3 -8.126 7.021 -0.727
19 HB3 CYS 3 1HB CYS 3 -6.855 6.867 0.481
20 H GLY 4 H GLY 4 -5.513 3.494 -0.802
21 HA2 GLY 4 2HA GLY 4 -5.188 2.509 1.888
22 HA3 GLY 4 1HA GLY 4 -4.207 2.088 0.496
23 H ASP 5 H ASP 5 -4.119 3.452 3.440
24 HA ASP 5 HA ASP 5 -2.163 5.544 2.869
25 HB2 ASP 5 2HB ASP 5 -3.630 4.669 5.352
26 HB3 ASP 5 1HB ASP 5 -2.280 5.793 5.433
27 HA HYP 6 HA HYP 6 1.543 3.190 3.682
28 HB2 HYP 6 2HB HYP 6 2.825 4.836 5.550
29 HB3 HYP 6 1HB HYP 6 2.937 4.997 3.787
30 HG HYP 6 2HG HYP 6 1.250 6.518 5.719
31 HD22 HYP 6 1HD HYP 6 0.414 6.239 2.843
32 HD23 HYP 6 2HD HYP 6 -0.572 6.626 4.268
33 HD1 HYP 6 1HG HYP 6 2.971 7.534 4.549
34 H GLY 7 H GLY 7 1.921 1.467 4.897
35 HA2 GLY 7 2HA GLY 7 2.442 0.495 7.063
36 HA3 GLY 7 1HA GLY 7 1.202 1.525 7.761
37 H ALA 8 H ALA 8 0.071 0.394 4.852
38 HA ALA 8 HA ALA 8 -1.553 -1.658 6.170
39 HB1 ALA 8 1HB ALA 8 -3.073 -1.415 4.277
40 HB2 ALA 8 2HB ALA 8 -1.952 -0.290 3.509
41 HB3 ALA 8 3HB ALA 8 -2.743 0.148 5.024
42 H THR 9 H THR 9 -1.939 -3.693 5.164
43 HA THR 9 HA THR 9 0.406 -4.789 3.862
44 HB THR 9 HB THR 9 -2.044 -6.450 4.295
45 HG1 THR 9 1HG THR 9 -0.379 -6.142 6.507
46 HG21 THR 9 3HG2 THR 9 -0.381 -8.122 4.983
47 HG22 THR 9 1HG2 THR 9 0.901 -6.925 4.794
48 HG23 THR 9 2HG2 THR 9 -0.010 -7.470 3.386
49 H CYS 10 H CYS 10 0.651 -4.791 1.740
50 HA CYS 10 HA CYS 10 -1.717 -4.723 -0.001
51 HB2 CYS 10 2HB CYS 10 -0.095 -2.858 -0.236
52 HB3 CYS 10 1HB CYS 10 1.153 -4.021 -0.666
53 H GLY 11 H GLY 11 -2.270 -6.499 -1.040
54 HA2 GLY 11 2HA GLY 11 -0.284 -8.656 -1.348
55 HA3 GLY 11 1HA GLY 11 -2.024 -8.887 -1.280
56 H LYS 12 H LYS 12 -3.209 -8.813 -3.119
57 HA LYS 12 HA LYS 12 -1.801 -8.128 -5.613
58 HB2 LYS 12 2HB LYS 12 -2.310 -10.661 -5.016
59 HB3 LYS 12 1HB LYS 12 -3.909 -10.249 -5.618
60 HG2 LYS 12 2HG LYS 12 -2.932 -9.559 -7.750
61 HG3 LYS 12 1HG LYS 12 -1.325 -9.968 -7.145
62 HD2 LYS 12 2HD LYS 12 -2.034 -12.302 -6.869
63 HD3 LYS 12 1HD LYS 12 -3.632 -11.886 -7.491
64 HE2 LYS 12 2HE LYS 12 -1.099 -11.442 -9.055
65 HE3 LYS 12 1HE LYS 12 -2.023 -12.941 -9.139
66 HZ1 LYS 12 3HZ LYS 12 -3.938 -11.675 -9.901
67 HZ2 LYS 12 1HZ LYS 12 -2.616 -11.437 -10.932
68 HZ3 LYS 12 2HZ LYS 12 -3.051 -10.237 -9.821
69 H LEU 13 H LEU 13 -5.063 -8.714 -4.251
70 HA LEU 13 HA LEU 13 -6.002 -6.242 -5.481
71 HB2 LEU 13 2HB LEU 13 -7.280 -8.937 -5.973
72 HB3 LEU 13 1HB LEU 13 -8.081 -7.412 -6.298
73 HG LEU 13 HG LEU 13 -5.430 -7.939 -7.576
74 HD11 LEU 13 1HD1 LEU 13 -8.058 -9.062 -8.539
75 HD12 LEU 13 2HD1 LEU 13 -6.668 -9.991 -7.975
76 HD13 LEU 13 3HD1 LEU 13 -6.551 -9.041 -9.456
77 HD21 LEU 13 3HD2 LEU 13 -6.479 -5.746 -7.823
78 HD22 LEU 13 1HD2 LEU 13 -7.932 -6.506 -8.473
79 HD23 LEU 13 2HD2 LEU 13 -6.415 -6.593 -9.369
80 H ARG 14 H ARG 14 -6.175 -5.365 -3.441
81 HA ARG 14 HA ARG 14 -8.534 -6.183 -1.930
82 HB2 ARG 14 2HB ARG 14 -5.762 -5.982 -0.748
83 HB3 ARG 14 1HB ARG 14 -7.206 -5.813 0.238
84 HG2 ARG 14 2HG ARG 14 -7.917 -8.060 -0.431
85 HG3 ARG 14 1HG ARG 14 -6.453 -8.227 -1.401
86 HD2 ARG 14 2HD ARG 14 -5.090 -7.967 0.614
87 HD3 ARG 14 1HD ARG 14 -6.553 -7.793 1.583
88 HE ARG 14 HE ARG 14 -6.650 -10.214 0.141
89 HH11 ARG 14 2HH1 ARG 14 -4.976 -8.792 2.881
90 HH12 ARG 14 1HH1 ARG 14 -4.709 -10.317 3.656
91 HH21 ARG 14 2HH2 ARG 14 -6.289 -12.200 1.174
92 HH22 ARG 14 1HH2 ARG 14 -5.452 -12.244 2.690
93 H LEU 15 H LEU 15 -5.803 -3.874 -1.783
94 HA LEU 15 HA LEU 15 -7.639 -1.634 -2.028
95 HB2 LEU 15 2HB LEU 15 -7.515 -2.045 0.408
96 HB3 LEU 15 1HB LEU 15 -5.772 -1.916 0.344
97 HG LEU 15 HG LEU 15 -5.971 0.475 -0.250
98 HD11 LEU 15 1HD1 LEU 15 -8.933 0.031 0.094
99 HD12 LEU 15 2HD1 LEU 15 -8.100 0.522 -1.381
100 HD13 LEU 15 3HD1 LEU 15 -8.146 1.608 0.007
101 HD21 LEU 15 3HD2 LEU 15 -7.105 1.170 1.961
102 HD22 LEU 15 1HD2 LEU 15 -5.655 0.166 2.023
103 HD23 LEU 15 2HD2 LEU 15 -7.244 -0.565 2.246
104 H TYR 16 H TYR 16 -6.705 0.190 -2.888
105 HA TYR 16 HA TYR 16 -4.059 -0.192 -4.068
106 HB2 TYR 16 2HB TYR 16 -6.291 1.761 -4.653
107 HB3 TYR 16 1HB TYR 16 -4.716 1.837 -5.434
108 HD1 TYR 16 2HD TYR 16 -7.865 -0.016 -5.178
109 HD2 TYR 16 1HD TYR 16 -4.065 0.170 -7.081
110 HE1 TYR 16 2HE TYR 16 -8.640 -1.624 -6.868
111 HE2 TYR 16 1HE TYR 16 -4.829 -1.437 -8.778
112 HH TYR 16 HH TYR 16 -6.534 -3.193 -9.015
113 H CYS 17 H CYS 17 -2.528 1.574 -4.139
114 HA CYS 17 HA CYS 17 -2.274 2.894 -1.571
115 HB2 CYS 17 2HB CYS 17 -0.479 1.868 -3.494
116 HB3 CYS 17 1HB CYS 17 -0.186 3.600 -3.410
117 H CYS 18 H CYS 18 -2.342 5.038 -1.166
118 HA CYS 18 HA CYS 18 -3.804 6.753 -2.872
119 HB2 CYS 18 2HB CYS 18 -2.877 6.777 -0.194
120 HB3 CYS 18 1HB CYS 18 -2.325 8.269 -0.945
121 H SER 19 H SER 19 -0.386 6.206 -2.470
122 HA SER 19 HA SER 19 0.296 8.507 -4.154
123 HB2 SER 19 2HB SER 19 2.661 7.915 -3.544
124 HB3 SER 19 1HB SER 19 1.645 8.332 -2.165
125 HG SER 19 HG SER 19 2.327 6.486 -1.420
126 H GLY 20 H GLY 20 0.165 5.029 -4.156
127 HA2 GLY 20 2HA GLY 20 -0.060 3.770 -6.159
128 HA3 GLY 20 1HA GLY 20 0.832 5.016 -7.013
129 H PHE 21 H PHE 21 1.635 3.216 -4.032
130 HA PHE 21 HA PHE 21 3.777 1.813 -5.425
131 HB2 PHE 21 2HB PHE 21 4.887 3.866 -4.714
132 HB3 PHE 21 1HB PHE 21 4.303 3.655 -3.071
133 HD1 PHE 21 2HD PHE 21 5.175 1.715 -1.721
134 HD2 PHE 21 1HD PHE 21 6.917 2.886 -5.423
135 HE1 PHE 21 2HE PHE 21 7.219 0.475 -1.147
136 HE2 PHE 21 1HE PHE 21 8.968 1.651 -4.843
137 HZ PHE 21 HZ PHE 21 9.106 0.449 -2.690
138 H CYS 22 H CYS 22 3.465 -0.223 -4.950
139 HA CYS 22 HA CYS 22 2.770 -0.986 -2.192
140 HB2 CYS 22 2HB CYS 22 1.816 -1.975 -4.819
141 HB3 CYS 22 1HB CYS 22 2.132 -3.207 -3.602
142 H ASP 23 H ASP 23 4.477 -1.753 -1.138
143 HA ASP 23 HA ASP 23 6.802 -2.771 -2.502
144 HB2 ASP 23 2HB ASP 23 6.265 -1.656 0.040
145 HB3 ASP 23 1HB ASP 23 6.892 -3.277 0.326
146 H SER 24 H SER 24 7.063 -4.772 -3.157
147 HA SER 24 HA SER 24 5.357 -6.914 -2.178
148 HB2 SER 24 2HB SER 24 5.761 -6.551 -4.622
149 HB3 SER 24 1HB SER 24 7.443 -7.015 -4.366
150 HG SER 24 HG SER 24 6.706 -8.958 -4.700
151 H TYR 25 H TYR 25 8.393 -5.687 -1.405
152 HA TYR 25 HA TYR 25 9.730 -8.160 -0.775
153 HB2 TYR 25 2HB TYR 25 10.740 -5.800 -1.336
154 HB3 TYR 25 1HB TYR 25 10.535 -5.516 0.387
155 HD1 TYR 25 1HD TYR 25 12.373 -7.411 -2.152
156 HD2 TYR 25 2HD TYR 25 11.888 -6.711 2.016
157 HE1 TYR 25 1HE TYR 25 14.506 -8.556 -1.717
158 HE2 TYR 25 2HE TYR 25 14.019 -7.853 2.463
159 HH TYR 25 HH TYR 25 15.477 -9.516 1.387
160 H THR 26 H THR 26 7.617 -5.951 0.857
161 HA THR 26 HA THR 26 7.772 -7.585 3.302
162 HB THR 26 HB THR 26 7.174 -5.479 4.583
163 HG1 THR 26 1HG THR 26 7.430 -3.534 3.585
164 HG21 THR 26 3HG2 THR 26 9.424 -6.427 4.669
165 HG22 THR 26 1HG2 THR 26 9.491 -4.665 4.683
166 HG23 THR 26 2HG2 THR 26 9.862 -5.549 3.203
167 H LYS 27 H LYS 27 5.902 -6.674 0.753
168 HA LYS 27 HA LYS 27 3.704 -6.709 0.205
169 HB2 LYS 27 2HB LYS 27 3.614 -8.459 2.665
170 HB3 LYS 27 1HB LYS 27 2.200 -8.173 1.661
171 HG2 LYS 27 2HG LYS 27 3.364 -9.134 -0.260
172 HG3 LYS 27 1HG LYS 27 4.788 -9.416 0.744
173 HD2 LYS 27 2HD LYS 27 3.474 -10.901 2.183
174 HD3 LYS 27 1HD LYS 27 2.054 -10.619 1.175
175 HE2 LYS 27 2HE LYS 27 3.221 -11.595 -0.741
176 HE3 LYS 27 1HE LYS 27 4.644 -11.870 0.264
177 HZ1 LYS 27 3HZ LYS 27 3.322 -13.876 0.039
178 HZ2 LYS 27 1HZ LYS 27 1.968 -13.092 0.682
179 HZ3 LYS 27 2HZ LYS 27 3.330 -13.356 1.648
180 H THR 28 H THR 28 4.383 -4.366 1.255
181 HA THR 28 HA THR 28 1.954 -3.530 2.671
182 HB THR 28 HB THR 28 3.379 -1.934 4.060
183 HG1 THR 28 1HG THR 28 5.503 -3.656 4.065
184 HG21 THR 28 3HG2 THR 28 3.835 -3.611 5.793
185 HG22 THR 28 1HG2 THR 28 3.619 -4.896 4.604
186 HG23 THR 28 2HG2 THR 28 2.258 -3.866 5.047
187 H CYS 29 H CYS 29 1.496 -1.254 2.512
188 HA CYS 29 HA CYS 29 2.309 -0.147 -0.049
189 HB2 CYS 29 2HB CYS 29 -0.028 -0.051 1.571
190 HB3 CYS 29 1HB CYS 29 0.558 1.599 1.387
191 H LYS 30 H LYS 30 3.686 1.510 -0.341
192 HA LYS 30 HA LYS 30 4.416 3.203 1.953
193 HB2 LYS 30 2HB LYS 30 6.391 1.780 0.163
194 HB3 LYS 30 1HB LYS 30 6.830 3.050 1.281
195 HG2 LYS 30 2HG LYS 30 5.829 1.557 3.096
196 HG3 LYS 30 1HG LYS 30 5.862 0.278 1.878
197 HD2 LYS 30 2HD LYS 30 8.270 0.604 1.599
198 HD3 LYS 30 1HD LYS 30 8.239 1.882 2.816
199 HE2 LYS 30 2HE LYS 30 7.475 0.270 4.489
200 HE3 LYS 30 1HE LYS 30 7.499 -1.007 3.272
201 HZ1 LYS 30 3HZ LYS 30 9.486 -1.053 4.640
202 HZ2 LYS 30 1HZ LYS 30 9.860 0.538 4.201
203 HZ3 LYS 30 2HZ LYS 30 9.882 -0.690 3.037
204 H ASP 31 H ASP 31 5.821 5.096 1.215
205 HA ASP 31 HA ASP 31 4.586 6.307 -1.126
206 HB2 ASP 31 2HB ASP 31 6.359 7.405 1.062
207 HB3 ASP 31 1HB ASP 31 5.836 8.365 -0.317
208 H LYS 32 H LYS 32 5.899 7.492 -2.713
209 HA LYS 32 HA LYS 32 8.189 5.908 -3.550
210 HB2 LYS 32 2HB LYS 32 6.660 8.147 -4.883
211 HB3 LYS 32 1HB LYS 32 8.088 7.408 -5.593
212 HG2 LYS 32 2HG LYS 32 6.909 5.217 -5.519
213 HG3 LYS 32 1HG LYS 32 5.463 6.073 -4.980
214 HD2 LYS 32 2HD LYS 32 5.469 7.396 -7.029
215 HD3 LYS 32 1HD LYS 32 6.937 6.576 -7.564
216 HE2 LYS 32 2HE LYS 32 5.731 4.442 -7.574
217 HE3 LYS 32 1HE LYS 32 4.265 5.271 -7.053
218 HZ1 LYS 32 3HZ LYS 32 5.712 5.754 -9.601
219 HZ2 LYS 32 1HZ LYS 32 4.306 6.552 -9.102
220 HZ3 LYS 32 2HZ LYS 32 4.266 4.894 -9.436
221 H SER 33 H SER 33 7.503 9.268 -2.632
222 HA SER 33 HA SER 33 10.403 9.784 -2.503
223 HB2 SER 33 2HB SER 33 8.135 11.755 -2.881
224 HB3 SER 33 1HB SER 33 9.841 12.179 -2.757
225 HG SER 33 HG SER 33 9.457 10.272 -4.629
226 H SER 34 H SER 34 11.229 10.934 -0.727
227 HA SER 34 HA SER 34 9.650 10.621 1.719
228 HB2 SER 34 2HB SER 34 12.616 11.106 1.346
229 HB3 SER 34 1HB SER 34 11.812 10.859 2.897
230 HG SER 34 HG SER 34 11.060 8.805 1.840
231 H ALA 35 H ALA 35 11.539 13.051 -0.044
232 HA ALA 35 HA ALA 35 10.303 15.141 1.628
233 HB1 ALA 35 1HB ALA 35 12.721 14.986 1.994
234 HB2 ALA 35 2HB ALA 35 12.275 16.522 1.249
235 HB3 ALA 35 3HB ALA 35 12.998 15.243 0.272
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -13.598 7.299 -5.093
2 H2 GLY 1 2HT GLY 1 -12.013 7.232 -4.507
3 H3 GLY 1 3HT GLY 1 -13.194 8.088 -3.651
4 HA2 GLY 1 1HA GLY 1 -14.399 6.041 -3.202
5 HA3 GLY 1 2HA GLY 1 -13.170 5.151 -4.090
6 H TRP 2 H TRP 2 -12.672 3.882 -2.289
7 HA TRP 2 HA TRP 2 -11.559 5.219 0.065
8 HB2 TRP 2 2HB TRP 2 -12.253 2.325 -0.473
9 HB3 TRP 2 1HB TRP 2 -11.479 2.882 1.006
10 HD1 TRP 2 HD TRP 2 -14.822 3.067 -0.871
11 HE1 TRP 2 1HE TRP 2 -16.665 3.737 0.794
12 HE3 TRP 2 3HE TRP 2 -11.911 4.068 3.226
13 HZ2 TRP 2 2HZ TRP 2 -16.866 4.575 3.478
14 HZ3 TRP 2 3HZ TRP 2 -13.015 4.797 5.300
15 HH2 TRP 2 HH TRP 2 -15.440 5.046 5.421
16 H CYS 3 H CYS 3 -9.448 5.313 0.498
17 HA CYS 3 HA CYS 3 -7.603 3.759 -1.197
18 HB2 CYS 3 2HB CYS 3 -7.708 6.299 -1.558
19 HB3 CYS 3 1HB CYS 3 -6.932 6.436 0.017
20 H GLY 4 H GLY 4 -5.567 3.156 -0.236
21 HA2 GLY 4 2HA GLY 4 -5.872 2.448 2.578
22 HA3 GLY 4 1HA GLY 4 -4.676 1.805 1.465
23 H ASP 5 H ASP 5 -4.475 2.939 4.207
24 HA ASP 5 HA ASP 5 -2.836 5.324 3.816
25 HB2 ASP 5 2HB ASP 5 -3.900 3.921 6.269
26 HB3 ASP 5 1HB ASP 5 -2.739 5.239 6.372
27 HA HYP 6 HA HYP 6 1.170 3.339 4.041
28 HB2 HYP 6 2HB HYP 6 1.948 5.049 6.345
29 HB3 HYP 6 1HB HYP 6 2.718 4.878 4.754
30 HG HYP 6 2HG HYP 6 1.363 7.082 5.360
31 HD22 HYP 6 1HD HYP 6 -0.941 6.410 4.111
32 HD23 HYP 6 2HD HYP 6 -0.753 6.266 5.871
33 HD1 HYP 6 1HG HYP 6 1.769 7.269 3.278
34 H GLY 7 H GLY 7 1.812 1.476 4.884
35 HA2 GLY 7 2HA GLY 7 2.544 0.101 6.707
36 HA3 GLY 7 1HA GLY 7 1.417 0.949 7.754
37 H ALA 8 H ALA 8 0.031 0.231 4.767
38 HA ALA 8 HA ALA 8 -1.503 -1.977 5.936
39 HB1 ALA 8 1HB ALA 8 -2.106 -0.279 3.516
40 HB2 ALA 8 2HB ALA 8 -2.771 -0.042 5.131
41 HB3 ALA 8 3HB ALA 8 -3.167 -1.499 4.220
42 H THR 9 H THR 9 -1.981 -3.860 4.699
43 HA THR 9 HA THR 9 0.256 -4.834 3.169
44 HB THR 9 HB THR 9 -2.269 -6.417 3.312
45 HG1 THR 9 1HG THR 9 -0.603 -5.900 5.572
46 HG21 THR 9 3HG2 THR 9 -0.710 -8.248 3.759
47 HG22 THR 9 1HG2 THR 9 0.629 -7.103 3.835
48 HG23 THR 9 2HG2 THR 9 -0.227 -7.357 2.316
49 H CYS 10 H CYS 10 0.501 -4.716 1.042
50 HA CYS 10 HA CYS 10 -1.811 -4.031 -0.639
51 HB2 CYS 10 2HB CYS 10 0.159 -2.507 -0.674
52 HB3 CYS 10 1HB CYS 10 1.136 -3.832 -1.294
53 H GLY 11 H GLY 11 -2.244 -5.130 -2.562
54 HA2 GLY 11 2HA GLY 11 -0.732 -7.273 -3.599
55 HA3 GLY 11 1HA GLY 11 -1.959 -7.917 -2.520
56 H LYS 12 H LYS 12 -3.223 -8.922 -4.012
57 HA LYS 12 HA LYS 12 -4.251 -7.374 -6.277
58 HB2 LYS 12 2HB LYS 12 -4.264 -10.319 -5.634
59 HB3 LYS 12 1HB LYS 12 -5.242 -9.646 -6.931
60 HG2 LYS 12 2HG LYS 12 -3.227 -8.812 -8.027
61 HG3 LYS 12 1HG LYS 12 -2.242 -9.472 -6.719
62 HD2 LYS 12 2HD LYS 12 -3.027 -11.727 -7.272
63 HD3 LYS 12 1HD LYS 12 -4.006 -11.062 -8.582
64 HE2 LYS 12 2HE LYS 12 -1.979 -10.236 -9.676
65 HE3 LYS 12 1HE LYS 12 -1.002 -10.897 -8.365
66 HZ1 LYS 12 3HZ LYS 12 -1.764 -13.110 -8.959
67 HZ2 LYS 12 1HZ LYS 12 -1.024 -12.364 -10.285
68 HZ3 LYS 12 2HZ LYS 12 -2.709 -12.479 -10.210
69 H LEU 13 H LEU 13 -5.401 -9.256 -3.490
70 HA LEU 13 HA LEU 13 -8.149 -8.372 -3.941
71 HB2 LEU 13 2HB LEU 13 -6.929 -10.296 -1.961
72 HB3 LEU 13 1HB LEU 13 -8.624 -9.851 -1.948
73 HG LEU 13 HG LEU 13 -8.503 -10.677 -4.469
74 HD11 LEU 13 1HD1 LEU 13 -7.027 -12.610 -4.699
75 HD12 LEU 13 2HD1 LEU 13 -6.321 -12.263 -3.119
76 HD13 LEU 13 3HD1 LEU 13 -6.107 -11.125 -4.450
77 HD21 LEU 13 3HD2 LEU 13 -8.660 -12.505 -2.075
78 HD22 LEU 13 1HD2 LEU 13 -9.252 -12.881 -3.695
79 HD23 LEU 13 2HD2 LEU 13 -9.986 -11.572 -2.768
80 H ARG 14 H ARG 14 -5.470 -7.167 -2.435
81 HA ARG 14 HA ARG 14 -6.823 -6.014 -0.125
82 HB2 ARG 14 2HB ARG 14 -3.964 -6.065 -1.075
83 HB3 ARG 14 1HB ARG 14 -4.474 -4.999 0.227
84 HG2 ARG 14 2HG ARG 14 -4.915 -6.756 1.672
85 HG3 ARG 14 1HG ARG 14 -5.079 -7.924 0.360
86 HD2 ARG 14 2HD ARG 14 -2.468 -6.570 0.978
87 HD3 ARG 14 1HD ARG 14 -2.969 -8.052 1.792
88 HE ARG 14 HE ARG 14 -3.027 -8.144 -1.102
89 HH11 ARG 14 2HH1 ARG 14 -1.136 -8.822 1.779
90 HH12 ARG 14 1HH1 ARG 14 -0.107 -9.960 0.974
91 HH21 ARG 14 2HH2 ARG 14 -1.670 -9.641 -2.133
92 HH22 ARG 14 1HH2 ARG 14 -0.409 -10.422 -1.238
93 H LEU 15 H LEU 15 -6.156 -3.582 0.277
94 HA LEU 15 HA LEU 15 -7.429 -2.038 -1.758
95 HB2 LEU 15 2HB LEU 15 -6.933 -1.762 0.967
96 HB3 LEU 15 1HB LEU 15 -5.985 -0.484 0.235
97 HG LEU 15 HG LEU 15 -8.867 -0.790 -0.530
98 HD11 LEU 15 1HD1 LEU 15 -9.497 0.697 1.305
99 HD12 LEU 15 2HD1 LEU 15 -7.857 0.595 1.948
100 HD13 LEU 15 3HD1 LEU 15 -8.877 -0.843 1.900
101 HD21 LEU 15 3HD2 LEU 15 -6.990 1.562 -0.289
102 HD22 LEU 15 1HD2 LEU 15 -8.686 1.661 -0.764
103 HD23 LEU 15 2HD2 LEU 15 -7.535 0.798 -1.782
104 H TYR 16 H TYR 16 -6.575 -0.177 -2.842
105 HA TYR 16 HA TYR 16 -3.930 -0.632 -3.916
106 HB2 TYR 16 2HB TYR 16 -6.120 1.331 -4.602
107 HB3 TYR 16 1HB TYR 16 -4.559 1.317 -5.414
108 HD1 TYR 16 2HD TYR 16 -7.738 -0.444 -4.976
109 HD2 TYR 16 1HD TYR 16 -3.966 -0.479 -6.943
110 HE1 TYR 16 2HE TYR 16 -8.572 -2.155 -6.531
111 HE2 TYR 16 1HE TYR 16 -4.789 -2.190 -8.505
112 HH TYR 16 HH TYR 16 -8.074 -2.991 -8.789
113 H CYS 17 H CYS 17 -2.415 1.179 -4.261
114 HA CYS 17 HA CYS 17 -1.952 2.605 -1.776
115 HB2 CYS 17 2HB CYS 17 -0.325 1.488 -3.814
116 HB3 CYS 17 1HB CYS 17 0.000 3.217 -3.779
117 H CYS 18 H CYS 18 -1.976 4.775 -1.478
118 HA CYS 18 HA CYS 18 -3.499 6.396 -3.272
119 HB2 CYS 18 2HB CYS 18 -1.931 7.201 -0.815
120 HB3 CYS 18 1HB CYS 18 -3.135 8.187 -1.635
121 H SER 19 H SER 19 -0.080 5.982 -2.650
122 HA SER 19 HA SER 19 0.648 8.286 -4.290
123 HB2 SER 19 2HB SER 19 2.377 6.310 -2.784
124 HB3 SER 19 1HB SER 19 2.967 7.739 -3.633
125 HG SER 19 HG SER 19 1.580 8.971 -2.208
126 H GLY 20 H GLY 20 0.489 4.808 -4.460
127 HA2 GLY 20 2HA GLY 20 0.311 3.650 -6.528
128 HA3 GLY 20 1HA GLY 20 1.228 4.935 -7.296
129 H PHE 21 H PHE 21 2.241 3.432 -4.281
130 HA PHE 21 HA PHE 21 4.220 1.807 -5.693
131 HB2 PHE 21 2HB PHE 21 5.485 3.796 -5.303
132 HB3 PHE 21 1HB PHE 21 4.879 3.950 -3.662
133 HD1 PHE 21 1HD PHE 21 6.762 1.425 -5.712
134 HD2 PHE 21 2HD PHE 21 6.357 3.446 -1.983
135 HE1 PHE 21 1HE PHE 21 8.737 0.234 -4.850
136 HE2 PHE 21 2HE PHE 21 8.334 2.260 -1.127
137 HZ PHE 21 HZ PHE 21 9.521 0.657 -2.555
138 H CYS 22 H CYS 22 3.984 -0.167 -5.012
139 HA CYS 22 HA CYS 22 3.369 -0.679 -2.178
140 HB2 CYS 22 2HB CYS 22 2.604 -2.195 -4.671
141 HB3 CYS 22 1HB CYS 22 2.544 -2.939 -3.078
142 H ASP 23 H ASP 23 4.980 -1.527 -1.047
143 HA ASP 23 HA ASP 23 7.360 -2.511 -2.352
144 HB2 ASP 23 2HB ASP 23 6.746 -1.358 0.161
145 HB3 ASP 23 1HB ASP 23 7.407 -2.959 0.485
146 H SER 24 H SER 24 7.706 -4.522 -2.923
147 HA SER 24 HA SER 24 5.956 -6.664 -2.064
148 HB2 SER 24 2HB SER 24 8.243 -6.647 -4.045
149 HB3 SER 24 1HB SER 24 7.145 -7.999 -3.773
150 HG SER 24 HG SER 24 6.800 -5.831 -5.315
151 H TYR 25 H TYR 25 8.883 -5.403 -0.969
152 HA TYR 25 HA TYR 25 10.191 -7.825 -0.167
153 HB2 TYR 25 2HB TYR 25 11.146 -5.395 -0.510
154 HB3 TYR 25 1HB TYR 25 10.701 -5.197 1.180
155 HD1 TYR 25 2HD TYR 25 11.874 -6.421 2.928
156 HD2 TYR 25 1HD TYR 25 12.958 -6.877 -1.161
157 HE1 TYR 25 2HE TYR 25 13.981 -7.490 3.611
158 HE2 TYR 25 1HE TYR 25 15.067 -7.948 -0.489
159 HH TYR 25 HH TYR 25 15.656 -9.026 2.672
160 H THR 26 H THR 26 7.646 -5.918 1.105
161 HA THR 26 HA THR 26 7.502 -7.611 3.492
162 HB THR 26 HB THR 26 6.746 -5.582 4.816
163 HG1 THR 26 1HG THR 26 8.024 -3.663 3.703
164 HG21 THR 26 3HG2 THR 26 8.941 -6.596 5.172
165 HG22 THR 26 1HG2 THR 26 9.032 -4.841 5.328
166 HG23 THR 26 2HG2 THR 26 9.613 -5.627 3.860
167 H LYS 27 H LYS 27 6.048 -6.501 0.763
168 HA LYS 27 HA LYS 27 3.956 -6.443 -0.108
169 HB2 LYS 27 2HB LYS 27 3.474 -8.335 2.197
170 HB3 LYS 27 1HB LYS 27 2.226 -7.948 1.022
171 HG2 LYS 27 2HG LYS 27 3.645 -8.818 -0.771
172 HG3 LYS 27 1HG LYS 27 4.892 -9.212 0.414
173 HD2 LYS 27 2HD LYS 27 3.344 -10.741 1.534
174 HD3 LYS 27 1HD LYS 27 2.095 -10.344 0.352
175 HE2 LYS 27 2HE LYS 27 3.509 -11.230 -1.437
176 HE3 LYS 27 1HE LYS 27 4.757 -11.626 -0.256
177 HZ1 LYS 27 3HZ LYS 27 3.430 -13.561 -0.816
178 HZ2 LYS 27 1HZ LYS 27 2.016 -12.769 -0.326
179 HZ3 LYS 27 2HZ LYS 27 3.211 -13.150 0.809
180 H THR 28 H THR 28 4.554 -4.207 1.265
181 HA THR 28 HA THR 28 1.970 -3.436 2.457
182 HB THR 28 HB THR 28 3.281 -1.831 3.936
183 HG1 THR 28 1HG THR 28 5.468 -3.458 4.014
184 HG21 THR 28 3HG2 THR 28 3.731 -3.530 5.650
185 HG22 THR 28 1HG2 THR 28 3.610 -4.794 4.426
186 HG23 THR 28 2HG2 THR 28 2.194 -3.825 4.837
187 H CYS 29 H CYS 29 1.538 -1.115 2.401
188 HA CYS 29 HA CYS 29 2.286 0.018 -0.159
189 HB2 CYS 29 2HB CYS 29 0.061 0.227 1.653
190 HB3 CYS 29 1HB CYS 29 0.670 1.833 1.277
191 H LYS 30 H LYS 30 3.790 1.516 -0.477
192 HA LYS 30 HA LYS 30 4.661 3.201 1.771
193 HB2 LYS 30 2HB LYS 30 6.430 1.621 -0.095
194 HB3 LYS 30 1HB LYS 30 7.027 2.956 0.879
195 HG2 LYS 30 2HG LYS 30 6.104 1.659 2.885
196 HG3 LYS 30 1HG LYS 30 6.000 0.290 1.775
197 HD2 LYS 30 2HD LYS 30 8.389 0.487 1.299
198 HD3 LYS 30 1HD LYS 30 8.497 1.864 2.398
199 HE2 LYS 30 2HE LYS 30 7.806 0.431 4.257
200 HE3 LYS 30 1HE LYS 30 7.694 -0.943 3.157
201 HZ1 LYS 30 3HZ LYS 30 9.776 -0.960 4.372
202 HZ2 LYS 30 1HZ LYS 30 10.168 0.577 3.783
203 HZ3 LYS 30 2HZ LYS 30 10.064 -0.735 2.721
204 H ASP 31 H ASP 31 5.841 5.145 1.099
205 HA ASP 31 HA ASP 31 4.664 6.306 -1.295
206 HB2 ASP 31 2HB ASP 31 6.257 7.487 0.985
207 HB3 ASP 31 1HB ASP 31 5.742 8.424 -0.413
208 H LYS 32 H LYS 32 5.792 7.124 -3.031
209 HA LYS 32 HA LYS 32 8.482 6.044 -3.406
210 HB2 LYS 32 2HB LYS 32 6.392 5.924 -5.054
211 HB3 LYS 32 1HB LYS 32 7.034 7.470 -5.589
212 HG2 LYS 32 2HG LYS 32 9.179 6.418 -6.084
213 HG3 LYS 32 1HG LYS 32 8.549 4.866 -5.528
214 HD2 LYS 32 2HD LYS 32 6.845 4.933 -7.289
215 HD3 LYS 32 1HD LYS 32 7.485 6.481 -7.846
216 HE2 LYS 32 2HE LYS 32 9.628 5.414 -8.343
217 HE3 LYS 32 1HE LYS 32 8.992 3.869 -7.782
218 HZ1 LYS 32 3HZ LYS 32 8.910 4.035 -10.188
219 HZ2 LYS 32 1HZ LYS 32 7.957 5.430 -10.087
220 HZ3 LYS 32 2HZ LYS 32 7.345 3.947 -9.550
221 H SER 33 H SER 33 6.742 9.138 -3.595
222 HA SER 33 HA SER 33 9.309 10.557 -3.786
223 HB2 SER 33 2HB SER 33 7.894 12.525 -4.451
224 HB3 SER 33 1HB SER 33 7.809 11.165 -5.569
225 HG SER 33 HG SER 33 5.807 12.364 -4.389
226 H SER 34 H SER 34 9.840 12.196 -2.365
227 HA SER 34 HA SER 34 8.131 12.492 0.014
228 HB2 SER 34 2HB SER 34 11.147 12.225 -0.017
229 HB3 SER 34 1HB SER 34 10.171 12.566 1.411
230 HG SER 34 HG SER 34 9.445 10.340 -0.077
231 H ALA 35 H ALA 35 10.718 13.910 -1.959
232 HA ALA 35 HA ALA 35 11.347 16.026 -2.457
233 HB1 ALA 35 1HB ALA 35 9.011 16.256 -3.187
234 HB2 ALA 35 2HB ALA 35 9.672 17.773 -2.577
235 HB3 ALA 35 3HB ALA 35 8.573 16.825 -1.575
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -13.673 2.439 -4.333
2 H2 GLY 1 2HT GLY 1 -14.026 3.047 -5.871
3 H3 GLY 1 3HT GLY 1 -14.408 3.955 -4.496
4 HA2 GLY 1 1HA GLY 1 -11.671 3.259 -5.413
5 HA3 GLY 1 2HA GLY 1 -12.436 4.832 -5.582
6 H TRP 2 H TRP 2 -11.310 2.452 -3.229
7 HA TRP 2 HA TRP 2 -11.268 4.482 -1.121
8 HB2 TRP 2 2HB TRP 2 -10.858 1.489 -1.067
9 HB3 TRP 2 1HB TRP 2 -10.611 2.518 0.338
10 HD1 TRP 2 HD TRP 2 -13.362 1.051 -1.857
11 HE1 TRP 2 1HE TRP 2 -15.628 1.362 -0.681
12 HE3 TRP 2 3HE TRP 2 -11.876 4.051 2.021
13 HZ2 TRP 2 2HZ TRP 2 -16.654 2.694 1.581
14 HZ3 TRP 2 3HZ TRP 2 -13.568 4.797 3.644
15 HH2 TRP 2 HH TRP 2 -15.907 4.132 3.426
16 H CYS 3 H CYS 3 -9.433 5.211 -0.147
17 HA CYS 3 HA CYS 3 -6.907 4.634 -1.529
18 HB2 CYS 3 2HB CYS 3 -7.998 7.027 -1.084
19 HB3 CYS 3 1HB CYS 3 -7.142 6.855 0.443
20 H GLY 4 H GLY 4 -5.207 3.726 -0.516
21 HA2 GLY 4 2HA GLY 4 -5.625 2.743 2.209
22 HA3 GLY 4 1HA GLY 4 -4.412 2.173 1.076
23 H ASP 5 H ASP 5 -4.461 3.280 3.943
24 HA ASP 5 HA ASP 5 -2.647 5.548 3.735
25 HB2 ASP 5 2HB ASP 5 -3.967 4.158 6.068
26 HB3 ASP 5 1HB ASP 5 -2.763 5.424 6.284
27 HA HYP 6 HA HYP 6 1.213 3.342 4.238
28 HB2 HYP 6 2HB HYP 6 1.938 5.014 6.581
29 HB3 HYP 6 1HB HYP 6 2.784 4.812 5.034
30 HG HYP 6 2HG HYP 6 1.502 7.077 5.588
31 HD22 HYP 6 1HD HYP 6 -0.748 6.532 4.190
32 HD23 HYP 6 2HD HYP 6 -0.677 6.357 5.957
33 HD1 HYP 6 1HG HYP 6 0.753 6.548 3.085
34 H GLY 7 H GLY 7 1.742 1.472 5.152
35 HA2 GLY 7 2HA GLY 7 2.276 0.106 7.056
36 HA3 GLY 7 1HA GLY 7 1.069 0.987 7.979
37 H ALA 8 H ALA 8 -0.056 0.281 4.888
38 HA ALA 8 HA ALA 8 -1.721 -1.900 5.920
39 HB1 ALA 8 1HB ALA 8 -3.221 -1.401 4.063
40 HB2 ALA 8 2HB ALA 8 -2.084 -0.198 3.453
41 HB3 ALA 8 3HB ALA 8 -2.884 0.052 5.004
42 H THR 9 H THR 9 -2.110 -3.783 4.656
43 HA THR 9 HA THR 9 0.235 -4.719 3.234
44 HB THR 9 HB THR 9 -2.229 -6.401 3.459
45 HG1 THR 9 1HG THR 9 -2.232 -6.313 5.567
46 HG21 THR 9 3HG2 THR 9 -0.209 -7.314 2.413
47 HG22 THR 9 1HG2 THR 9 -0.580 -8.163 3.914
48 HG23 THR 9 2HG2 THR 9 0.713 -6.964 3.876
49 H CYS 10 H CYS 10 0.486 -4.652 1.106
50 HA CYS 10 HA CYS 10 -1.835 -4.085 -0.601
51 HB2 CYS 10 2HB CYS 10 0.112 -2.530 -0.665
52 HB3 CYS 10 1HB CYS 10 1.108 -3.853 -1.261
53 H GLY 11 H GLY 11 -2.195 -5.213 -2.538
54 HA2 GLY 11 2HA GLY 11 -0.647 -7.383 -3.467
55 HA3 GLY 11 1HA GLY 11 -1.929 -7.995 -2.435
56 H LYS 12 H LYS 12 -3.316 -8.926 -3.810
57 HA LYS 12 HA LYS 12 -4.145 -7.458 -6.217
58 HB2 LYS 12 2HB LYS 12 -4.313 -10.373 -5.465
59 HB3 LYS 12 1HB LYS 12 -5.204 -9.708 -6.827
60 HG2 LYS 12 2HG LYS 12 -3.096 -8.994 -7.849
61 HG3 LYS 12 1HG LYS 12 -2.211 -9.684 -6.488
62 HD2 LYS 12 2HD LYS 12 -3.092 -11.899 -7.036
63 HD3 LYS 12 1HD LYS 12 -3.993 -11.211 -8.387
64 HE2 LYS 12 2HE LYS 12 -2.049 -12.146 -9.334
65 HE3 LYS 12 1HE LYS 12 -1.761 -10.408 -9.283
66 HZ1 LYS 12 3HZ LYS 12 -0.449 -10.722 -7.276
67 HZ2 LYS 12 1HZ LYS 12 0.175 -11.650 -8.547
68 HZ3 LYS 12 2HZ LYS 12 -0.728 -12.389 -7.324
69 H LEU 13 H LEU 13 -5.491 -9.241 -3.448
70 HA LEU 13 HA LEU 13 -8.147 -8.132 -3.991
71 HB2 LEU 13 2HB LEU 13 -7.203 -10.282 -2.093
72 HB3 LEU 13 1HB LEU 13 -8.855 -9.698 -2.144
73 HG LEU 13 HG LEU 13 -7.634 -10.741 -4.665
74 HD11 LEU 13 1HD1 LEU 13 -8.334 -13.014 -4.074
75 HD12 LEU 13 2HD1 LEU 13 -8.713 -12.467 -2.440
76 HD13 LEU 13 3HD1 LEU 13 -7.048 -12.429 -3.019
77 HD21 LEU 13 3HD2 LEU 13 -9.941 -11.456 -5.073
78 HD22 LEU 13 1HD2 LEU 13 -9.856 -9.729 -4.721
79 HD23 LEU 13 2HD2 LEU 13 -10.410 -10.856 -3.482
80 H ARG 14 H ARG 14 -5.508 -7.073 -2.473
81 HA ARG 14 HA ARG 14 -6.747 -6.109 -0.017
82 HB2 ARG 14 2HB ARG 14 -3.941 -6.034 -1.114
83 HB3 ARG 14 1HB ARG 14 -4.402 -5.101 0.305
84 HG2 ARG 14 2HG ARG 14 -4.817 -7.020 1.575
85 HG3 ARG 14 1HG ARG 14 -4.887 -8.055 0.149
86 HD2 ARG 14 2HD ARG 14 -2.500 -7.719 -0.220
87 HD3 ARG 14 1HD ARG 14 -2.424 -6.659 1.186
88 HE ARG 14 HE ARG 14 -3.319 -8.811 2.361
89 HH11 ARG 14 1HH1 ARG 14 -0.891 -8.690 -0.174
90 HH12 ARG 14 2HH1 ARG 14 -0.088 -10.126 0.367
91 HH21 ARG 14 1HH2 ARG 14 -2.250 -10.687 3.054
92 HH22 ARG 14 2HH2 ARG 14 -0.859 -11.255 2.193
93 H LEU 15 H LEU 15 -6.006 -3.697 0.515
94 HA LEU 15 HA LEU 15 -7.451 -2.007 -1.267
95 HB2 LEU 15 2HB LEU 15 -6.791 -1.928 1.388
96 HB3 LEU 15 1HB LEU 15 -5.728 -0.704 0.726
97 HG LEU 15 HG LEU 15 -8.665 -0.633 0.102
98 HD11 LEU 15 1HD1 LEU 15 -7.353 0.486 2.575
99 HD12 LEU 15 2HD1 LEU 15 -8.517 -0.839 2.525
100 HD13 LEU 15 3HD1 LEU 15 -9.011 0.789 2.057
101 HD21 LEU 15 3HD2 LEU 15 -6.511 1.469 0.336
102 HD22 LEU 15 1HD2 LEU 15 -8.213 1.799 0.011
103 HD23 LEU 15 2HD2 LEU 15 -7.254 0.880 -1.148
104 H TYR 16 H TYR 16 -6.709 -0.142 -2.376
105 HA TYR 16 HA TYR 16 -4.171 -0.508 -3.701
106 HB2 TYR 16 2HB TYR 16 -6.461 0.267 -4.702
107 HB3 TYR 16 1HB TYR 16 -5.968 1.858 -4.138
108 HD1 TYR 16 2HD TYR 16 -5.211 -0.869 -6.488
109 HD2 TYR 16 1HD TYR 16 -4.197 3.069 -5.237
110 HE1 TYR 16 2HE TYR 16 -3.888 -0.565 -8.538
111 HE2 TYR 16 1HE TYR 16 -2.871 3.384 -7.284
112 HH TYR 16 HH TYR 16 -3.056 1.277 -9.937
113 H CYS 17 H CYS 17 -2.647 1.273 -4.023
114 HA CYS 17 HA CYS 17 -2.005 2.571 -1.509
115 HB2 CYS 17 2HB CYS 17 -0.525 1.510 -3.678
116 HB3 CYS 17 1HB CYS 17 -0.158 3.228 -3.596
117 H CYS 18 H CYS 18 -1.954 4.717 -1.107
118 HA CYS 18 HA CYS 18 -3.560 6.472 -2.665
119 HB2 CYS 18 2HB CYS 18 -1.859 6.797 -0.215
120 HB3 CYS 18 1HB CYS 18 -2.555 8.208 -1.007
121 H SER 19 H SER 19 -0.081 6.020 -2.342
122 HA SER 19 HA SER 19 0.502 8.316 -4.048
123 HB2 SER 19 2HB SER 19 1.879 7.813 -2.007
124 HB3 SER 19 1HB SER 19 2.445 6.351 -2.813
125 HG SER 19 HG SER 19 2.676 8.691 -4.272
126 H GLY 20 H GLY 20 0.349 4.836 -4.193
127 HA2 GLY 20 2HA GLY 20 0.014 3.673 -6.241
128 HA3 GLY 20 1HA GLY 20 0.871 4.955 -7.079
129 H PHE 21 H PHE 21 2.081 3.437 -4.143
130 HA PHE 21 HA PHE 21 3.982 1.843 -5.696
131 HB2 PHE 21 2HB PHE 21 5.269 3.815 -5.325
132 HB3 PHE 21 1HB PHE 21 4.727 3.952 -3.661
133 HD1 PHE 21 2HD PHE 21 6.539 1.458 -5.811
134 HD2 PHE 21 1HD PHE 21 6.263 3.425 -2.042
135 HE1 PHE 21 2HE PHE 21 8.548 0.263 -5.037
136 HE2 PHE 21 1HE PHE 21 8.271 2.234 -1.273
137 HZ PHE 21 HZ PHE 21 9.411 0.656 -2.766
138 H CYS 22 H CYS 22 3.835 -0.151 -5.041
139 HA CYS 22 HA CYS 22 3.308 -0.727 -2.202
140 HB2 CYS 22 2HB CYS 22 2.527 -2.236 -4.698
141 HB3 CYS 22 1HB CYS 22 2.493 -2.979 -3.104
142 H ASP 23 H ASP 23 4.941 -1.596 -1.121
143 HA ASP 23 HA ASP 23 7.310 -2.511 -2.503
144 HB2 ASP 23 2HB ASP 23 6.746 -1.395 0.039
145 HB3 ASP 23 1HB ASP 23 7.441 -2.990 0.326
146 H SER 24 H SER 24 7.676 -4.511 -3.099
147 HA SER 24 HA SER 24 5.968 -6.685 -2.242
148 HB2 SER 24 2HB SER 24 8.239 -6.616 -4.241
149 HB3 SER 24 1HB SER 24 7.163 -7.987 -3.974
150 HG SER 24 HG SER 24 6.677 -6.375 -5.737
151 H TYR 25 H TYR 25 8.834 -5.386 -1.089
152 HA TYR 25 HA TYR 25 10.245 -7.770 -0.371
153 HB2 TYR 25 2HB TYR 25 11.076 -5.283 -0.565
154 HB3 TYR 25 1HB TYR 25 10.575 -5.189 1.118
155 HD1 TYR 25 1HD TYR 25 11.764 -6.434 2.842
156 HD2 TYR 25 2HD TYR 25 12.986 -6.628 -1.228
157 HE1 TYR 25 1HE TYR 25 13.907 -7.418 3.540
158 HE2 TYR 25 2HE TYR 25 15.132 -7.613 -0.542
159 HH TYR 25 HH TYR 25 15.692 -8.809 2.582
160 H THR 26 H THR 26 7.647 -5.964 1.013
161 HA THR 26 HA THR 26 7.468 -7.862 3.239
162 HB THR 26 HB THR 26 6.736 -5.952 4.740
163 HG1 THR 26 1HG THR 26 8.248 -4.187 3.207
164 HG21 THR 26 3HG2 THR 26 8.919 -7.022 5.004
165 HG22 THR 26 1HG2 THR 26 9.027 -5.291 5.325
166 HG23 THR 26 2HG2 THR 26 9.606 -5.941 3.790
167 H LYS 27 H LYS 27 6.045 -6.578 0.599
168 HA LYS 27 HA LYS 27 3.960 -6.430 -0.275
169 HB2 LYS 27 2HB LYS 27 3.420 -8.413 1.937
170 HB3 LYS 27 1HB LYS 27 2.186 -7.940 0.779
171 HG2 LYS 27 2HG LYS 27 3.595 -8.757 -1.050
172 HG3 LYS 27 1HG LYS 27 4.820 -9.246 0.122
173 HD2 LYS 27 2HD LYS 27 3.221 -10.784 1.155
174 HD3 LYS 27 1HD LYS 27 1.991 -10.291 -0.012
175 HE2 LYS 27 2HE LYS 27 3.396 -11.125 -1.837
176 HE3 LYS 27 1HE LYS 27 4.618 -11.623 -0.667
177 HZ1 LYS 27 3HZ LYS 27 3.227 -13.478 -1.346
178 HZ2 LYS 27 1HZ LYS 27 1.841 -12.668 -0.811
179 HZ3 LYS 27 2HZ LYS 27 3.019 -13.152 0.301
180 H THR 28 H THR 28 4.592 -4.264 1.151
181 HA THR 28 HA THR 28 2.053 -3.506 2.452
182 HB THR 28 HB THR 28 3.436 -1.918 3.883
183 HG1 THR 28 1HG THR 28 5.650 -2.942 4.193
184 HG21 THR 28 3HG2 THR 28 2.398 -3.927 4.809
185 HG22 THR 28 1HG2 THR 28 3.974 -3.641 5.549
186 HG23 THR 28 2HG2 THR 28 3.791 -4.888 4.315
187 H CYS 29 H CYS 29 1.625 -1.179 2.456
188 HA CYS 29 HA CYS 29 2.252 -0.013 -0.125
189 HB2 CYS 29 2HB CYS 29 0.098 0.158 1.777
190 HB3 CYS 29 1HB CYS 29 0.680 1.773 1.392
191 H LYS 30 H LYS 30 3.747 1.479 -0.479
192 HA LYS 30 HA LYS 30 4.681 3.163 1.747
193 HB2 LYS 30 2HB LYS 30 6.398 1.602 -0.185
194 HB3 LYS 30 1HB LYS 30 7.018 2.932 0.782
195 HG2 LYS 30 2HG LYS 30 6.158 1.606 2.801
196 HG3 LYS 30 1HG LYS 30 6.036 0.249 1.680
197 HD2 LYS 30 2HD LYS 30 8.411 0.478 1.142
198 HD3 LYS 30 1HD LYS 30 8.535 1.840 2.257
199 HE2 LYS 30 2HE LYS 30 7.904 0.374 4.113
200 HE3 LYS 30 1HE LYS 30 7.780 -0.985 2.997
201 HZ1 LYS 30 3HZ LYS 30 9.892 -0.990 4.164
202 HZ2 LYS 30 1HZ LYS 30 10.252 0.555 3.576
203 HZ3 LYS 30 2HZ LYS 30 10.135 -0.751 2.507
204 H ASP 31 H ASP 31 5.807 5.123 1.052
205 HA ASP 31 HA ASP 31 4.562 6.269 -1.315
206 HB2 ASP 31 2HB ASP 31 6.180 7.469 0.937
207 HB3 ASP 31 1HB ASP 31 5.635 8.402 -0.453
208 H LYS 32 H LYS 32 5.641 7.108 -3.072
209 HA LYS 32 HA LYS 32 8.326 6.049 -3.523
210 HB2 LYS 32 2HB LYS 32 6.206 5.946 -5.123
211 HB3 LYS 32 1HB LYS 32 6.811 7.512 -5.639
212 HG2 LYS 32 2HG LYS 32 8.960 6.501 -6.210
213 HG3 LYS 32 1HG LYS 32 8.360 4.927 -5.683
214 HD2 LYS 32 2HD LYS 32 6.616 5.022 -7.401
215 HD3 LYS 32 1HD LYS 32 7.222 6.594 -7.928
216 HE2 LYS 32 2HE LYS 32 9.370 5.569 -8.503
217 HE3 LYS 32 1HE LYS 32 8.760 4.000 -7.979
218 HZ1 LYS 32 3HZ LYS 32 7.660 5.624 -10.210
219 HZ2 LYS 32 1HZ LYS 32 7.076 4.117 -9.708
220 HZ3 LYS 32 2HZ LYS 32 8.625 4.245 -10.376
221 H SER 33 H SER 33 6.586 9.146 -3.585
222 HA SER 33 HA SER 33 9.115 10.587 -3.939
223 HB2 SER 33 2HB SER 33 7.625 12.582 -4.280
224 HB3 SER 33 1HB SER 33 7.389 11.295 -5.462
225 HG SER 33 HG SER 33 5.610 12.374 -3.775
226 H SER 34 H SER 34 9.897 12.038 -2.467
227 HA SER 34 HA SER 34 8.482 12.251 0.107
228 HB2 SER 34 2HB SER 34 11.457 11.841 -0.288
229 HB3 SER 34 1HB SER 34 10.665 12.128 1.262
230 HG SER 34 HG SER 34 11.076 9.873 0.717
231 H ALA 35 H ALA 35 10.908 13.675 -2.056
232 HA ALA 35 HA ALA 35 11.594 15.788 -2.489
233 HB1 ALA 35 1HB ALA 35 10.017 17.620 -2.299
234 HB2 ALA 35 2HB ALA 35 8.988 16.659 -1.238
235 HB3 ALA 35 3HB ALA 35 9.206 16.183 -2.923
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -10.494 2.163 -5.405
2 H2 GLY 1 2HT GLY 1 -11.109 3.605 -6.039
3 H3 GLY 1 3HT GLY 1 -11.672 2.119 -6.618
4 HA2 GLY 1 1HA GLY 1 -13.296 3.106 -5.140
5 HA3 GLY 1 2HA GLY 1 -12.657 1.608 -4.481
6 H TRP 2 H TRP 2 -11.388 1.641 -2.648
7 HA TRP 2 HA TRP 2 -11.543 4.107 -1.080
8 HB2 TRP 2 2HB TRP 2 -11.015 1.236 -0.304
9 HB3 TRP 2 1HB TRP 2 -10.889 2.577 0.830
10 HD1 TRP 2 HD TRP 2 -13.136 3.652 1.718
11 HE1 TRP 2 1HE TRP 2 -15.594 2.904 1.622
12 HE3 TRP 2 3HE TRP 2 -12.745 -0.009 -1.844
13 HZ2 TRP 2 2HZ TRP 2 -17.162 1.020 0.230
14 HZ3 TRP 2 3HZ TRP 2 -14.777 -1.234 -2.497
15 HH2 TRP 2 HH TRP 2 -16.938 -0.730 -1.479
16 H CYS 3 H CYS 3 -9.768 4.994 -0.006
17 HA CYS 3 HA CYS 3 -7.182 4.406 -1.260
18 HB2 CYS 3 2HB CYS 3 -8.329 6.764 -1.156
19 HB3 CYS 3 1HB CYS 3 -7.678 6.797 0.477
20 H GLY 4 H GLY 4 -5.580 3.488 -0.158
21 HA2 GLY 4 2HA GLY 4 -5.962 2.935 2.697
22 HA3 GLY 4 1HA GLY 4 -4.855 2.101 1.622
23 H ASP 5 H ASP 5 -4.589 3.522 4.280
24 HA ASP 5 HA ASP 5 -2.836 5.756 3.785
25 HB2 ASP 5 2HB ASP 5 -3.664 4.268 6.278
26 HB3 ASP 5 1HB ASP 5 -2.489 5.578 6.312
27 HA HYP 6 HA HYP 6 1.154 3.737 3.554
28 HB2 HYP 6 2HB HYP 6 2.176 5.389 5.805
29 HB3 HYP 6 1HB HYP 6 2.775 5.257 4.140
30 HG HYP 6 2HG HYP 6 1.503 7.449 4.943
31 HD22 HYP 6 1HD HYP 6 -0.916 6.820 3.903
32 HD23 HYP 6 2HD HYP 6 -0.561 6.632 5.632
33 HD1 HYP 6 1HG HYP 6 0.845 7.696 2.763
34 H GLY 7 H GLY 7 1.688 1.802 4.259
35 HA2 GLY 7 2HA GLY 7 2.644 0.437 6.045
36 HA3 GLY 7 1HA GLY 7 1.515 1.208 7.149
37 H ALA 8 H ALA 8 0.135 0.520 4.131
38 HA ALA 8 HA ALA 8 -1.488 -1.609 5.266
39 HB1 ALA 8 1HB ALA 8 -1.711 -0.229 2.590
40 HB2 ALA 8 2HB ALA 8 -2.562 0.250 4.060
41 HB3 ALA 8 3HB ALA 8 -2.902 -1.311 3.312
42 H THR 9 H THR 9 -1.836 -3.632 4.210
43 HA THR 9 HA THR 9 0.586 -4.763 3.108
44 HB THR 9 HB THR 9 -1.925 -6.373 3.259
45 HG1 THR 9 1HG THR 9 -2.099 -5.361 5.217
46 HG21 THR 9 3HG2 THR 9 0.938 -6.907 4.075
47 HG22 THR 9 1HG2 THR 9 0.177 -7.424 2.570
48 HG23 THR 9 2HG2 THR 9 -0.378 -8.081 4.110
49 H CYS 10 H CYS 10 1.014 -5.255 1.058
50 HA CYS 10 HA CYS 10 -1.079 -4.812 -0.968
51 HB2 CYS 10 2HB CYS 10 1.935 -4.684 -1.211
52 HB3 CYS 10 1HB CYS 10 0.817 -4.491 -2.556
53 H GLY 11 H GLY 11 -1.281 -6.259 -2.720
54 HA2 GLY 11 2HA GLY 11 0.059 -8.395 -3.555
55 HA3 GLY 11 1HA GLY 11 -0.580 -9.008 -2.038
56 H LYS 12 H LYS 12 -3.067 -8.252 -1.849
57 HA LYS 12 HA LYS 12 -4.374 -9.493 -4.157
58 HB2 LYS 12 2HB LYS 12 -5.270 -8.994 -1.317
59 HB3 LYS 12 1HB LYS 12 -6.373 -9.549 -2.567
60 HG2 LYS 12 2HG LYS 12 -3.857 -11.074 -2.075
61 HG3 LYS 12 1HG LYS 12 -5.209 -11.250 -0.955
62 HD2 LYS 12 2HD LYS 12 -6.667 -11.886 -2.824
63 HD3 LYS 12 1HD LYS 12 -5.310 -11.714 -3.938
64 HE2 LYS 12 2HE LYS 12 -4.108 -13.481 -2.745
65 HE3 LYS 12 1HE LYS 12 -5.464 -13.650 -1.629
66 HZ1 LYS 12 3HZ LYS 12 -5.563 -14.144 -4.557
67 HZ2 LYS 12 1HZ LYS 12 -6.863 -14.308 -3.486
68 HZ3 LYS 12 2HZ LYS 12 -5.526 -15.334 -3.356
69 H LEU 13 H LEU 13 -6.293 -8.605 -5.078
70 HA LEU 13 HA LEU 13 -6.265 -5.688 -5.125
71 HB2 LEU 13 2HB LEU 13 -6.250 -7.267 -7.194
72 HB3 LEU 13 1HB LEU 13 -7.968 -7.424 -6.892
73 HG LEU 13 HG LEU 13 -6.855 -4.668 -7.122
74 HD11 LEU 13 1HD1 LEU 13 -5.775 -5.814 -8.969
75 HD12 LEU 13 2HD1 LEU 13 -7.048 -4.749 -9.563
76 HD13 LEU 13 3HD1 LEU 13 -7.322 -6.490 -9.477
77 HD21 LEU 13 3HD2 LEU 13 -9.402 -5.982 -8.073
78 HD22 LEU 13 1HD2 LEU 13 -9.019 -4.264 -8.189
79 HD23 LEU 13 2HD2 LEU 13 -9.218 -5.017 -6.608
80 H ARG 14 H ARG 14 -7.315 -5.039 -3.314
81 HA ARG 14 HA ARG 14 -10.212 -5.434 -3.255
82 HB2 ARG 14 2HB ARG 14 -8.357 -5.997 -0.940
83 HB3 ARG 14 1HB ARG 14 -10.062 -5.638 -0.709
84 HG2 ARG 14 2HG ARG 14 -10.659 -7.579 -2.070
85 HG3 ARG 14 1HG ARG 14 -8.946 -7.939 -2.301
86 HD2 ARG 14 2HD ARG 14 -8.684 -8.232 0.114
87 HD3 ARG 14 1HD ARG 14 -10.394 -7.867 0.345
88 HE ARG 14 HE ARG 14 -10.183 -9.997 -1.458
89 HH11 ARG 14 1HH1 ARG 14 -9.587 -9.377 1.947
90 HH12 ARG 14 2HH1 ARG 14 -9.874 -11.020 2.414
91 HH21 ARG 14 1HH2 ARG 14 -10.553 -12.141 -0.824
92 HH22 ARG 14 2HH2 ARG 14 -10.420 -12.583 0.846
93 H LEU 15 H LEU 15 -7.396 -3.721 -1.964
94 HA LEU 15 HA LEU 15 -9.030 -1.276 -1.764
95 HB2 LEU 15 2HB LEU 15 -8.078 -2.515 0.404
96 HB3 LEU 15 1HB LEU 15 -6.639 -1.611 -0.019
97 HG LEU 15 HG LEU 15 -9.283 -0.212 0.295
98 HD11 LEU 15 1HD1 LEU 15 -8.905 -1.530 2.334
99 HD12 LEU 15 2HD1 LEU 15 -8.759 0.203 2.625
100 HD13 LEU 15 3HD1 LEU 15 -7.310 -0.793 2.498
101 HD21 LEU 15 3HD2 LEU 15 -6.416 0.667 0.643
102 HD22 LEU 15 1HD2 LEU 15 -7.836 1.682 0.892
103 HD23 LEU 15 2HD2 LEU 15 -7.469 1.058 -0.717
104 H TYR 16 H TYR 16 -8.091 0.626 -2.459
105 HA TYR 16 HA TYR 16 -5.724 0.327 -4.151
106 HB2 TYR 16 2HB TYR 16 -7.996 1.418 -4.855
107 HB3 TYR 16 1HB TYR 16 -7.388 2.824 -3.989
108 HD1 TYR 16 1HD TYR 16 -5.489 4.087 -4.846
109 HD2 TYR 16 2HD TYR 16 -6.977 0.695 -6.938
110 HE1 TYR 16 1HE TYR 16 -4.218 4.765 -6.839
111 HE2 TYR 16 2HE TYR 16 -5.709 1.363 -8.936
112 HH TYR 16 HH TYR 16 -3.287 3.736 -8.869
113 H CYS 17 H CYS 17 -3.812 1.276 -3.730
114 HA CYS 17 HA CYS 17 -3.371 2.438 -1.134
115 HB2 CYS 17 2HB CYS 17 -1.743 1.282 -3.257
116 HB3 CYS 17 1HB CYS 17 -0.999 2.703 -2.532
117 H CYS 18 H CYS 18 -2.872 4.487 -0.595
118 HA CYS 18 HA CYS 18 -3.712 6.611 -2.293
119 HB2 CYS 18 2HB CYS 18 -2.339 6.588 0.394
120 HB3 CYS 18 1HB CYS 18 -2.858 8.063 -0.412
121 H SER 19 H SER 19 -0.584 5.222 -1.552
122 HA SER 19 HA SER 19 0.865 7.434 -2.782
123 HB2 SER 19 2HB SER 19 1.698 6.305 -0.697
124 HB3 SER 19 1HB SER 19 1.983 4.857 -1.660
125 HG SER 19 HG SER 19 3.480 7.108 -1.446
126 H GLY 20 H GLY 20 -0.166 4.175 -3.526
127 HA2 GLY 20 2HA GLY 20 -0.394 3.286 -5.684
128 HA3 GLY 20 1HA GLY 20 0.661 4.547 -6.296
129 H PHE 21 H PHE 21 2.709 3.924 -4.197
130 HA PHE 21 HA PHE 21 4.002 1.760 -5.651
131 HB2 PHE 21 2HB PHE 21 5.386 3.673 -5.378
132 HB3 PHE 21 1HB PHE 21 4.996 3.813 -3.673
133 HD1 PHE 21 2HD PHE 21 6.442 1.151 -5.905
134 HD2 PHE 21 1HD PHE 21 6.753 3.367 -2.279
135 HE1 PHE 21 2HE PHE 21 8.484 -0.093 -5.318
136 HE2 PHE 21 1HE PHE 21 8.795 2.127 -1.699
137 HZ PHE 21 HZ PHE 21 9.659 0.401 -3.211
138 H CYS 22 H CYS 22 3.969 -0.242 -5.005
139 HA CYS 22 HA CYS 22 3.534 -0.859 -2.164
140 HB2 CYS 22 2HB CYS 22 2.596 -2.193 -4.671
141 HB3 CYS 22 1HB CYS 22 2.845 -3.167 -3.226
142 H ASP 23 H ASP 23 5.176 -1.720 -1.116
143 HA ASP 23 HA ASP 23 7.491 -2.704 -2.578
144 HB2 ASP 23 2HB ASP 23 7.105 -1.341 -0.123
145 HB3 ASP 23 1HB ASP 23 7.811 -2.907 0.268
146 H SER 24 H SER 24 7.798 -4.760 -2.997
147 HA SER 24 HA SER 24 6.142 -6.809 -1.792
148 HB2 SER 24 2HB SER 24 7.267 -8.302 -3.466
149 HB3 SER 24 1HB SER 24 6.436 -6.919 -4.177
150 HG SER 24 HG SER 24 8.352 -5.967 -4.600
151 H TYR 25 H TYR 25 9.139 -5.460 -1.075
152 HA TYR 25 HA TYR 25 10.513 -7.812 -0.161
153 HB2 TYR 25 2HB TYR 25 11.450 -5.452 -0.861
154 HB3 TYR 25 1HB TYR 25 11.175 -5.064 0.833
155 HD1 TYR 25 2HD TYR 25 12.509 -6.104 2.581
156 HD2 TYR 25 1HD TYR 25 13.169 -7.042 -1.515
157 HE1 TYR 25 2HE TYR 25 14.663 -7.134 3.171
158 HE2 TYR 25 1HE TYR 25 15.325 -8.075 -0.938
159 HH TYR 25 HH TYR 25 16.219 -8.803 2.251
160 H THR 26 H THR 26 8.107 -5.746 1.126
161 HA THR 26 HA THR 26 8.243 -7.126 3.714
162 HB THR 26 HB THR 26 7.504 -4.961 4.812
163 HG1 THR 26 1HG THR 26 7.908 -3.055 3.685
164 HG21 THR 26 3HG2 THR 26 9.783 -4.061 4.987
165 HG22 THR 26 1HG2 THR 26 10.267 -5.026 3.591
166 HG23 THR 26 2HG2 THR 26 9.774 -5.822 5.087
167 H LYS 27 H LYS 27 6.492 -6.501 1.013
168 HA LYS 27 HA LYS 27 4.330 -6.672 0.350
169 HB2 LYS 27 2HB LYS 27 4.157 -8.185 2.958
170 HB3 LYS 27 1HB LYS 27 2.792 -8.043 1.861
171 HG2 LYS 27 2HG LYS 27 4.091 -9.136 0.102
172 HG3 LYS 27 1HG LYS 27 5.462 -9.275 1.203
173 HD2 LYS 27 2HD LYS 27 4.116 -10.667 2.702
174 HD3 LYS 27 1HD LYS 27 2.743 -10.525 1.600
175 HE2 LYS 27 2HE LYS 27 4.040 -11.632 -0.155
176 HE3 LYS 27 1HE LYS 27 5.412 -11.769 0.943
177 HZ1 LYS 27 3HZ LYS 27 2.752 -13.032 1.333
178 HZ2 LYS 27 1HZ LYS 27 4.068 -13.164 2.389
179 HZ3 LYS 27 2HZ LYS 27 4.159 -13.828 0.836
180 H THR 28 H THR 28 5.014 -4.233 1.477
181 HA THR 28 HA THR 28 2.410 -3.326 2.492
182 HB THR 28 HB THR 28 3.647 -1.716 4.032
183 HG1 THR 28 1HG THR 28 5.745 -1.970 4.316
184 HG21 THR 28 3HG2 THR 28 3.844 -3.358 5.847
185 HG22 THR 28 1HG2 THR 28 3.782 -4.667 4.667
186 HG23 THR 28 2HG2 THR 28 2.381 -3.619 4.895
187 H CYS 29 H CYS 29 2.090 -0.981 2.280
188 HA CYS 29 HA CYS 29 3.183 -0.036 -0.228
189 HB2 CYS 29 2HB CYS 29 0.741 0.317 1.157
190 HB3 CYS 29 1HB CYS 29 1.478 1.907 0.992
191 H LYS 30 H LYS 30 4.561 1.580 -0.553
192 HA LYS 30 HA LYS 30 5.447 3.195 1.745
193 HB2 LYS 30 2HB LYS 30 7.200 1.713 -0.219
194 HB3 LYS 30 1HB LYS 30 7.801 2.990 0.827
195 HG2 LYS 30 2HG LYS 30 6.926 1.581 2.764
196 HG3 LYS 30 1HG LYS 30 6.769 0.279 1.581
197 HD2 LYS 30 2HD LYS 30 9.147 0.465 1.052
198 HD3 LYS 30 1HD LYS 30 9.309 1.775 2.224
199 HE2 LYS 30 2HE LYS 30 8.640 0.250 4.017
200 HE3 LYS 30 1HE LYS 30 8.478 -1.058 2.845
201 HZ1 LYS 30 3HZ LYS 30 10.839 -0.864 2.360
202 HZ2 LYS 30 1HZ LYS 30 10.590 -1.170 4.006
203 HZ3 LYS 30 2HZ LYS 30 10.992 0.389 3.486
204 H ASP 31 H ASP 31 6.697 5.142 1.073
205 HA ASP 31 HA ASP 31 5.423 6.404 -1.219
206 HB2 ASP 31 2HB ASP 31 7.158 7.475 1.010
207 HB3 ASP 31 1HB ASP 31 6.609 8.468 -0.336
208 H LYS 32 H LYS 32 6.363 6.746 -3.123
209 HA LYS 32 HA LYS 32 9.144 5.929 -3.497
210 HB2 LYS 32 2HB LYS 32 7.014 5.291 -4.951
211 HB3 LYS 32 1HB LYS 32 7.407 6.797 -5.767
212 HG2 LYS 32 2HG LYS 32 9.651 5.954 -6.249
213 HG3 LYS 32 1HG LYS 32 9.256 4.443 -5.428
214 HD2 LYS 32 2HD LYS 32 7.472 4.028 -7.055
215 HD3 LYS 32 1HD LYS 32 7.867 5.540 -7.873
216 HE2 LYS 32 2HE LYS 32 8.913 3.838 -9.127
217 HE3 LYS 32 1HE LYS 32 10.197 4.603 -8.192
218 HZ1 LYS 32 3HZ LYS 32 8.831 2.057 -7.497
219 HZ2 LYS 32 1HZ LYS 32 10.064 2.790 -6.598
220 HZ3 LYS 32 2HZ LYS 32 10.386 2.197 -8.149
221 H SER 33 H SER 33 10.743 7.247 -4.278
222 HA SER 33 HA SER 33 10.111 10.102 -4.629
223 HB2 SER 33 2HB SER 33 12.496 8.944 -3.163
224 HB3 SER 33 1HB SER 33 12.235 10.658 -3.492
225 HG SER 33 HG SER 33 11.262 9.157 -1.492
226 H SER 34 H SER 34 10.988 11.072 -6.355
227 HA SER 34 HA SER 34 13.074 9.646 -7.869
228 HB2 SER 34 2HB SER 34 10.663 11.075 -9.017
229 HB3 SER 34 1HB SER 34 11.976 10.371 -9.961
230 HG SER 34 HG SER 34 10.608 8.769 -8.111
231 H ALA 35 H ALA 35 14.650 10.876 -8.806
232 HA ALA 35 HA ALA 35 14.539 13.785 -8.352
233 HB1 ALA 35 1HB ALA 35 16.914 13.771 -7.804
234 HB2 ALA 35 2HB ALA 35 16.963 12.020 -8.009
235 HB3 ALA 35 3HB ALA 35 16.012 12.728 -6.704
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -15.341 4.770 -4.645
2 H2 GLY 1 2HT GLY 1 -15.669 3.366 -3.761
3 H3 GLY 1 3HT GLY 1 -15.696 3.325 -5.452
4 HA2 GLY 1 1HA GLY 1 -13.673 2.313 -4.630
5 HA3 GLY 1 2HA GLY 1 -13.331 3.774 -5.544
6 H TRP 2 H TRP 2 -12.981 2.152 -2.583
7 HA TRP 2 HA TRP 2 -12.147 4.553 -1.131
8 HB2 TRP 2 2HB TRP 2 -12.541 1.691 -0.233
9 HB3 TRP 2 1HB TRP 2 -11.923 2.965 0.812
10 HD1 TRP 2 HD TRP 2 -15.133 1.689 -0.780
11 HE1 TRP 2 1HE TRP 2 -17.138 2.925 0.254
12 HE3 TRP 2 3HE TRP 2 -12.613 5.249 1.908
13 HZ2 TRP 2 2HZ TRP 2 -17.596 5.110 1.974
14 HZ3 TRP 2 3HZ TRP 2 -13.916 6.872 3.219
15 HH2 TRP 2 HH TRP 2 -16.356 6.803 3.250
16 H CYS 3 H CYS 3 -10.100 4.663 -0.073
17 HA CYS 3 HA CYS 3 -8.004 2.973 -1.267
18 HB2 CYS 3 2HB CYS 3 -7.961 5.189 -2.311
19 HB3 CYS 3 1HB CYS 3 -7.863 5.949 -0.727
20 H GLY 4 H GLY 4 -6.080 2.705 0.007
21 HA2 GLY 4 2HA GLY 4 -6.668 2.621 2.869
22 HA3 GLY 4 1HA GLY 4 -5.367 1.777 2.051
23 H ASP 5 H ASP 5 -4.791 2.980 4.367
24 HA ASP 5 HA ASP 5 -3.661 5.619 3.845
25 HB2 ASP 5 2HB ASP 5 -3.972 3.942 6.335
26 HB3 ASP 5 1HB ASP 5 -3.021 5.422 6.321
27 HA HYP 6 HA HYP 6 0.586 4.393 3.120
28 HB2 HYP 6 2HB HYP 6 1.485 6.032 5.438
29 HB3 HYP 6 1HB HYP 6 1.991 6.108 3.738
30 HG HYP 6 2HG HYP 6 0.427 7.998 4.751
31 HD22 HYP 6 1HD HYP 6 -1.923 7.010 3.824
32 HD23 HYP 6 2HD HYP 6 -1.419 6.817 5.515
33 HD1 HYP 6 1HG HYP 6 0.342 6.701 2.231
34 H GLY 7 H GLY 7 1.567 2.554 3.605
35 HA2 GLY 7 2HA GLY 7 2.813 1.117 5.047
36 HA3 GLY 7 1HA GLY 7 1.926 1.770 6.416
37 H ALA 8 H ALA 8 -0.043 1.101 3.743
38 HA ALA 8 HA ALA 8 -1.328 -1.105 5.114
39 HB1 ALA 8 1HB ALA 8 -2.674 0.698 4.146
40 HB2 ALA 8 2HB ALA 8 -3.073 -0.862 3.429
41 HB3 ALA 8 3HB ALA 8 -2.071 0.285 2.540
42 H THR 9 H THR 9 -1.825 -3.120 4.136
43 HA THR 9 HA THR 9 0.350 -4.269 2.648
44 HB THR 9 HB THR 9 -2.212 -5.750 3.163
45 HG1 THR 9 1HG THR 9 -2.030 -5.384 5.232
46 HG21 THR 9 3HG2 THR 9 -0.672 -7.610 3.613
47 HG22 THR 9 1HG2 THR 9 0.702 -6.534 3.363
48 HG23 THR 9 2HG2 THR 9 -0.378 -6.911 2.022
49 H CYS 10 H CYS 10 0.509 -4.498 0.516
50 HA CYS 10 HA CYS 10 -1.788 -3.843 -1.180
51 HB2 CYS 10 2HB CYS 10 1.127 -4.163 -1.927
52 HB3 CYS 10 1HB CYS 10 -0.152 -3.561 -2.975
53 H GLY 11 H GLY 11 -2.364 -5.120 -2.994
54 HA2 GLY 11 2HA GLY 11 -1.256 -7.576 -3.727
55 HA3 GLY 11 1HA GLY 11 -2.475 -7.903 -2.507
56 H LYS 12 H LYS 12 -3.735 -9.055 -4.002
57 HA LYS 12 HA LYS 12 -4.912 -7.511 -6.206
58 HB2 LYS 12 2HB LYS 12 -4.754 -10.466 -5.645
59 HB3 LYS 12 1HB LYS 12 -5.852 -9.813 -6.852
60 HG2 LYS 12 2HG LYS 12 -3.946 -8.836 -8.045
61 HG3 LYS 12 1HG LYS 12 -2.853 -9.522 -6.840
62 HD2 LYS 12 2HD LYS 12 -3.591 -11.773 -7.446
63 HD3 LYS 12 1HD LYS 12 -4.702 -11.093 -8.636
64 HE2 LYS 12 2HE LYS 12 -2.806 -11.783 -9.854
65 HE3 LYS 12 1HE LYS 12 -2.679 -10.031 -9.722
66 HZ1 LYS 12 3HZ LYS 12 -1.238 -12.001 -8.027
67 HZ2 LYS 12 1HZ LYS 12 -1.114 -10.318 -7.902
68 HZ3 LYS 12 2HZ LYS 12 -0.560 -11.106 -9.292
69 H LEU 13 H LEU 13 -5.835 -9.522 -3.423
70 HA LEU 13 HA LEU 13 -8.632 -8.717 -3.693
71 HB2 LEU 13 2HB LEU 13 -7.246 -10.687 -1.875
72 HB3 LEU 13 1HB LEU 13 -8.950 -10.301 -1.748
73 HG LEU 13 HG LEU 13 -8.943 -11.008 -4.307
74 HD11 LEU 13 1HD1 LEU 13 -6.538 -11.378 -4.445
75 HD12 LEU 13 2HD1 LEU 13 -7.422 -12.882 -4.702
76 HD13 LEU 13 3HD1 LEU 13 -6.638 -12.574 -3.153
77 HD21 LEU 13 3HD2 LEU 13 -9.578 -13.269 -3.599
78 HD22 LEU 13 1HD2 LEU 13 -10.300 -12.029 -2.573
79 HD23 LEU 13 2HD2 LEU 13 -8.909 -12.948 -1.998
80 H ARG 14 H ARG 14 -5.977 -7.363 -2.391
81 HA ARG 14 HA ARG 14 -7.159 -6.446 0.114
82 HB2 ARG 14 2HB ARG 14 -4.428 -6.174 -1.130
83 HB3 ARG 14 1HB ARG 14 -4.890 -5.245 0.290
84 HG2 ARG 14 2HG ARG 14 -5.096 -7.164 1.620
85 HG3 ARG 14 1HG ARG 14 -5.124 -8.235 0.218
86 HD2 ARG 14 2HD ARG 14 -2.796 -7.713 -0.249
87 HD3 ARG 14 1HD ARG 14 -2.759 -6.587 1.106
88 HE ARG 14 HE ARG 14 -3.410 -8.762 2.403
89 HH11 ARG 14 1HH1 ARG 14 -1.087 -8.513 -0.220
90 HH12 ARG 14 2HH1 ARG 14 -0.131 -9.840 0.348
91 HH21 ARG 14 1HH2 ARG 14 -2.140 -10.496 3.128
92 HH22 ARG 14 2HH2 ARG 14 -0.727 -10.961 2.241
93 H LEU 15 H LEU 15 -6.711 -4.002 0.590
94 HA LEU 15 HA LEU 15 -8.288 -2.473 -1.234
95 HB2 LEU 15 2HB LEU 15 -7.617 -2.319 1.451
96 HB3 LEU 15 1HB LEU 15 -6.804 -0.933 0.754
97 HG LEU 15 HG LEU 15 -9.724 -1.415 0.222
98 HD11 LEU 15 1HD1 LEU 15 -10.250 0.008 2.140
99 HD12 LEU 15 2HD1 LEU 15 -8.547 0.010 2.603
100 HD13 LEU 15 3HD1 LEU 15 -9.469 -1.494 2.638
101 HD21 LEU 15 3HD2 LEU 15 -7.933 1.011 0.228
102 HD22 LEU 15 1HD2 LEU 15 -9.690 1.095 0.112
103 HD23 LEU 15 2HD2 LEU 15 -8.763 0.283 -1.147
104 H TYR 16 H TYR 16 -7.674 -0.414 -2.191
105 HA TYR 16 HA TYR 16 -5.216 -0.582 -3.653
106 HB2 TYR 16 2HB TYR 16 -7.423 1.477 -3.586
107 HB3 TYR 16 1HB TYR 16 -6.007 1.627 -4.621
108 HD1 TYR 16 2HD TYR 16 -5.708 0.166 -6.543
109 HD2 TYR 16 1HD TYR 16 -9.133 -0.187 -4.043
110 HE1 TYR 16 2HE TYR 16 -6.814 -1.203 -8.261
111 HE2 TYR 16 1HE TYR 16 -10.248 -1.557 -5.753
112 HH TYR 16 HH TYR 16 -10.127 -1.933 -8.178
113 H CYS 17 H CYS 17 -3.567 1.005 -3.767
114 HA CYS 17 HA CYS 17 -2.981 2.232 -1.176
115 HB2 CYS 17 2HB CYS 17 -1.416 0.928 -3.226
116 HB3 CYS 17 1HB CYS 17 -0.753 2.514 -2.847
117 H CYS 18 H CYS 18 -2.644 4.358 -0.873
118 HA CYS 18 HA CYS 18 -3.550 6.187 -2.935
119 HB2 CYS 18 2HB CYS 18 -2.986 6.396 -0.005
120 HB3 CYS 18 1HB CYS 18 -3.056 7.863 -0.973
121 H SER 19 H SER 19 -0.540 5.079 -1.690
122 HA SER 19 HA SER 19 0.973 7.429 -2.474
123 HB2 SER 19 2HB SER 19 1.908 4.735 -1.460
124 HB3 SER 19 1HB SER 19 2.932 6.152 -1.695
125 HG SER 19 HG SER 19 0.721 6.664 -0.174
126 H GLY 20 H GLY 20 0.176 4.290 -3.790
127 HA2 GLY 20 2HA GLY 20 0.260 3.778 -6.092
128 HA3 GLY 20 1HA GLY 20 1.452 5.048 -6.310
129 H PHE 21 H PHE 21 3.266 4.235 -4.262
130 HA PHE 21 HA PHE 21 4.501 1.983 -5.638
131 HB2 PHE 21 2HB PHE 21 5.963 3.850 -5.373
132 HB3 PHE 21 1HB PHE 21 5.560 4.019 -3.672
133 HD1 PHE 21 1HD PHE 21 6.996 1.404 -5.957
134 HD2 PHE 21 2HD PHE 21 7.160 3.353 -2.172
135 HE1 PHE 21 1HE PHE 21 8.951 0.041 -5.338
136 HE2 PHE 21 2HE PHE 21 9.117 1.997 -1.559
137 HZ PHE 21 HZ PHE 21 10.013 0.343 -3.138
138 H CYS 22 H CYS 22 4.222 0.020 -4.960
139 HA CYS 22 HA CYS 22 3.843 -0.513 -2.091
140 HB2 CYS 22 2HB CYS 22 2.761 -1.938 -4.520
141 HB3 CYS 22 1HB CYS 22 2.785 -2.689 -2.930
142 H ASP 23 H ASP 23 5.499 -1.465 -1.133
143 HA ASP 23 HA ASP 23 7.658 -2.616 -2.671
144 HB2 ASP 23 2HB ASP 23 7.389 -1.421 -0.113
145 HB3 ASP 23 1HB ASP 23 7.973 -3.062 0.146
146 H SER 24 H SER 24 7.984 -4.689 -3.086
147 HA SER 24 HA SER 24 6.071 -6.672 -2.206
148 HB2 SER 24 2HB SER 24 8.438 -6.890 -4.076
149 HB3 SER 24 1HB SER 24 7.243 -8.158 -3.800
150 HG SER 24 HG SER 24 5.971 -5.889 -4.388
151 H TYR 25 H TYR 25 9.016 -5.557 -1.014
152 HA TYR 25 HA TYR 25 10.149 -8.007 -0.064
153 HB2 TYR 25 2HB TYR 25 11.237 -5.637 -0.406
154 HB3 TYR 25 1HB TYR 25 10.691 -5.364 1.244
155 HD1 TYR 25 1HD TYR 25 13.010 -7.232 -0.890
156 HD2 TYR 25 2HD TYR 25 11.695 -6.567 3.103
157 HE1 TYR 25 1HE TYR 25 15.019 -8.370 -0.044
158 HE2 TYR 25 2HE TYR 25 13.701 -7.703 3.959
159 HH TYR 25 HH TYR 25 16.378 -8.427 2.009
160 H THR 26 H THR 26 7.667 -5.896 1.038
161 HA THR 26 HA THR 26 7.251 -7.555 3.418
162 HB THR 26 HB THR 26 6.593 -5.465 4.694
163 HG1 THR 26 1HG THR 26 7.737 -4.322 2.386
164 HG21 THR 26 3HG2 THR 26 9.494 -5.736 3.894
165 HG22 THR 26 1HG2 THR 26 8.680 -6.649 5.165
166 HG23 THR 26 2HG2 THR 26 8.897 -4.907 5.331
167 H LYS 27 H LYS 27 6.052 -6.358 0.606
168 HA LYS 27 HA LYS 27 4.026 -6.118 -0.383
169 HB2 LYS 27 2HB LYS 27 3.259 -7.976 1.873
170 HB3 LYS 27 1HB LYS 27 2.122 -7.493 0.622
171 HG2 LYS 27 2HG LYS 27 3.574 -8.470 -1.082
172 HG3 LYS 27 1HG LYS 27 4.723 -8.945 0.171
173 HD2 LYS 27 2HD LYS 27 3.012 -10.363 1.199
174 HD3 LYS 27 1HD LYS 27 1.864 -9.887 -0.053
175 HE2 LYS 27 2HE LYS 27 3.321 -10.872 -1.757
176 HE3 LYS 27 1HE LYS 27 4.465 -11.349 -0.502
177 HZ1 LYS 27 3HZ LYS 27 2.760 -12.761 0.466
178 HZ2 LYS 27 1HZ LYS 27 3.040 -13.189 -1.148
179 HZ3 LYS 27 2HZ LYS 27 1.661 -12.303 -0.736
180 H THR 28 H THR 28 4.698 -3.924 1.004
181 HA THR 28 HA THR 28 2.102 -2.915 1.940
182 HB THR 28 HB THR 28 3.328 -1.604 3.754
183 HG1 THR 28 1HG THR 28 5.221 -3.591 3.984
184 HG21 THR 28 3HG2 THR 28 3.222 -3.452 5.367
185 HG22 THR 28 1HG2 THR 28 3.146 -4.606 4.036
186 HG23 THR 28 2HG2 THR 28 1.831 -3.457 4.284
187 H CYS 29 H CYS 29 2.035 -0.527 2.090
188 HA CYS 29 HA CYS 29 3.174 0.657 -0.263
189 HB2 CYS 29 2HB CYS 29 0.943 1.149 1.392
190 HB3 CYS 29 1HB CYS 29 1.935 2.602 1.441
191 H LYS 30 H LYS 30 4.842 1.992 -0.475
192 HA LYS 30 HA LYS 30 6.078 3.183 1.912
193 HB2 LYS 30 2HB LYS 30 7.412 1.435 -0.137
194 HB3 LYS 30 1HB LYS 30 8.331 2.633 0.762
195 HG2 LYS 30 2HG LYS 30 7.047 1.385 2.786
196 HG3 LYS 30 1HG LYS 30 7.216 0.058 1.637
197 HD2 LYS 30 2HD LYS 30 9.602 0.393 1.535
198 HD3 LYS 30 1HD LYS 30 9.479 1.827 2.557
199 HE2 LYS 30 2HE LYS 30 8.633 -0.925 3.438
200 HE3 LYS 30 1HE LYS 30 10.238 -0.263 3.716
201 HZ1 LYS 30 3HZ LYS 30 7.696 0.897 4.717
202 HZ2 LYS 30 1HZ LYS 30 9.238 1.544 4.975
203 HZ3 LYS 30 2HZ LYS 30 8.826 0.046 5.643
204 H ASP 31 H ASP 31 7.615 4.933 1.382
205 HA ASP 31 HA ASP 31 6.576 6.576 -0.784
206 HB2 ASP 31 2HB ASP 31 8.461 7.150 1.506
207 HB3 ASP 31 1HB ASP 31 8.094 8.330 0.252
208 H LYS 32 H LYS 32 7.750 7.359 -2.499
209 HA LYS 32 HA LYS 32 10.176 5.867 -3.163
210 HB2 LYS 32 2HB LYS 32 8.035 6.269 -4.676
211 HB3 LYS 32 1HB LYS 32 8.875 7.759 -5.077
212 HG2 LYS 32 2HG LYS 32 10.812 6.464 -5.826
213 HG3 LYS 32 1HG LYS 32 9.963 4.970 -5.428
214 HD2 LYS 32 2HD LYS 32 8.219 5.530 -7.054
215 HD3 LYS 32 1HD LYS 32 9.072 7.024 -7.453
216 HE2 LYS 32 2HE LYS 32 10.993 5.722 -8.222
217 HE3 LYS 32 1HE LYS 32 10.150 4.228 -7.812
218 HZ1 LYS 32 3HZ LYS 32 8.454 4.783 -9.442
219 HZ2 LYS 32 1HZ LYS 32 9.981 4.716 -10.167
220 HZ3 LYS 32 2HZ LYS 32 9.266 6.212 -9.836
221 H SER 33 H SER 33 9.022 9.209 -2.862
222 HA SER 33 HA SER 33 11.753 10.215 -3.223
223 HB2 SER 33 2HB SER 33 9.116 11.700 -3.095
224 HB3 SER 33 1HB SER 33 10.690 12.442 -3.383
225 HG SER 33 HG SER 33 10.642 10.640 -5.160
226 H SER 34 H SER 34 12.880 11.208 -1.636
227 HA SER 34 HA SER 34 11.755 11.086 1.071
228 HB2 SER 34 2HB SER 34 14.632 11.347 0.161
229 HB3 SER 34 1HB SER 34 14.099 11.217 1.838
230 HG SER 34 HG SER 34 14.651 9.180 1.178
231 H ALA 35 H ALA 35 11.799 12.828 2.465
232 HA ALA 35 HA ALA 35 12.478 15.443 1.288
233 HB1 ALA 35 1HB ALA 35 10.546 16.424 2.402
234 HB2 ALA 35 2HB ALA 35 10.102 14.844 3.049
235 HB3 ALA 35 3HB ALA 35 10.048 15.131 1.310
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -12.795 5.237 -4.693
2 H2 GLY 1 2HT GLY 1 -13.852 6.466 -4.206
3 H3 GLY 1 3HT GLY 1 -14.429 5.172 -5.130
4 HA2 GLY 1 1HA GLY 1 -15.081 4.905 -2.828
5 HA3 GLY 1 2HA GLY 1 -13.983 3.630 -3.334
6 H TRP 2 H TRP 2 -12.989 3.114 -1.474
7 HA TRP 2 HA TRP 2 -11.878 5.227 0.221
8 HB2 TRP 2 2HB TRP 2 -12.166 2.246 0.656
9 HB3 TRP 2 1HB TRP 2 -11.393 3.337 1.800
10 HD1 TRP 2 HD TRP 2 -14.839 2.468 0.360
11 HE1 TRP 2 1HE TRP 2 -16.649 3.388 1.939
12 HE3 TRP 2 3HE TRP 2 -11.860 5.121 3.574
13 HZ2 TRP 2 2HZ TRP 2 -16.800 5.017 4.235
14 HZ3 TRP 2 3HZ TRP 2 -12.923 6.330 5.434
15 HH2 TRP 2 HH TRP 2 -15.343 6.279 5.756
16 H CYS 3 H CYS 3 -9.708 5.422 0.689
17 HA CYS 3 HA CYS 3 -7.882 3.914 -1.064
18 HB2 CYS 3 2HB CYS 3 -8.064 6.386 -1.492
19 HB3 CYS 3 1HB CYS 3 -7.399 6.657 0.115
20 H GLY 4 H GLY 4 -5.931 3.160 -0.242
21 HA2 GLY 4 2HA GLY 4 -5.954 2.625 2.626
22 HA3 GLY 4 1HA GLY 4 -4.934 1.847 1.429
23 H ASP 5 H ASP 5 -4.544 3.339 4.089
24 HA ASP 5 HA ASP 5 -2.793 5.536 3.380
25 HB2 ASP 5 2HB ASP 5 -3.657 4.289 5.984
26 HB3 ASP 5 1HB ASP 5 -2.395 5.514 5.926
27 HA HYP 6 HA HYP 6 1.153 3.454 3.160
28 HB2 HYP 6 2HB HYP 6 2.651 4.992 4.975
29 HB3 HYP 6 1HB HYP 6 2.444 5.333 3.246
30 HG HYP 6 2HG HYP 6 1.051 6.534 5.587
31 HD22 HYP 6 1HD HYP 6 -0.316 6.441 2.911
32 HD23 HYP 6 2HD HYP 6 -1.024 6.607 4.531
33 HD1 HYP 6 1HG HYP 6 1.773 8.225 4.518
34 H GLY 7 H GLY 7 1.755 1.607 4.027
35 HA2 GLY 7 2HA GLY 7 2.761 0.421 5.910
36 HA3 GLY 7 1HA GLY 7 1.632 1.266 6.960
37 H ALA 8 H ALA 8 0.158 0.356 4.079
38 HA ALA 8 HA ALA 8 -1.293 -1.807 5.402
39 HB1 ALA 8 1HB ALA 8 -1.860 -0.419 2.781
40 HB2 ALA 8 2HB ALA 8 -2.570 0.009 4.337
41 HB3 ALA 8 3HB ALA 8 -2.919 -1.560 3.609
42 H THR 9 H THR 9 -1.668 -3.838 4.361
43 HA THR 9 HA THR 9 0.661 -4.905 3.063
44 HB THR 9 HB THR 9 -1.854 -6.510 3.205
45 HG1 THR 9 1HG THR 9 -1.889 -6.565 5.356
46 HG21 THR 9 3HG2 THR 9 0.224 -7.531 2.404
47 HG22 THR 9 1HG2 THR 9 -0.292 -8.264 3.923
48 HG23 THR 9 2HG2 THR 9 1.027 -7.094 3.912
49 H CYS 10 H CYS 10 1.062 -4.952 0.971
50 HA CYS 10 HA CYS 10 -1.145 -4.596 -0.940
51 HB2 CYS 10 2HB CYS 10 0.667 -2.890 -0.967
52 HB3 CYS 10 1HB CYS 10 1.819 -4.156 -1.372
53 H GLY 11 H GLY 11 -1.677 -6.177 -2.296
54 HA2 GLY 11 2HA GLY 11 -0.059 -7.973 -3.613
55 HA3 GLY 11 1HA GLY 11 -0.451 -8.754 -2.090
56 H LYS 12 H LYS 12 -3.046 -8.008 -1.684
57 HA LYS 12 HA LYS 12 -4.427 -9.522 -3.768
58 HB2 LYS 12 2HB LYS 12 -5.196 -8.698 -0.969
59 HB3 LYS 12 1HB LYS 12 -6.342 -9.428 -2.082
60 HG2 LYS 12 2HG LYS 12 -4.954 -11.426 -2.222
61 HG3 LYS 12 1HG LYS 12 -3.777 -10.691 -1.131
62 HD2 LYS 12 2HD LYS 12 -5.482 -10.577 0.625
63 HD3 LYS 12 1HD LYS 12 -6.653 -11.319 -0.467
64 HE2 LYS 12 2HE LYS 12 -5.263 -13.325 -0.599
65 HE3 LYS 12 1HE LYS 12 -4.082 -12.582 0.478
66 HZ1 LYS 12 3HZ LYS 12 -6.897 -13.228 1.173
67 HZ2 LYS 12 1HZ LYS 12 -5.772 -12.502 2.209
68 HZ3 LYS 12 2HZ LYS 12 -5.530 -14.089 1.677
69 H LEU 13 H LEU 13 -6.406 -8.804 -4.703
70 HA LEU 13 HA LEU 13 -6.485 -5.912 -5.085
71 HB2 LEU 13 2HB LEU 13 -6.475 -7.707 -6.965
72 HB3 LEU 13 1HB LEU 13 -8.173 -7.898 -6.581
73 HG LEU 13 HG LEU 13 -7.189 -5.144 -7.162
74 HD11 LEU 13 1HD1 LEU 13 -7.670 -7.236 -9.278
75 HD12 LEU 13 2HD1 LEU 13 -6.133 -6.451 -8.915
76 HD13 LEU 13 3HD1 LEU 13 -7.473 -5.509 -9.569
77 HD21 LEU 13 3HD2 LEU 13 -9.714 -6.650 -7.847
78 HD22 LEU 13 1HD2 LEU 13 -9.407 -4.944 -8.176
79 HD23 LEU 13 2HD2 LEU 13 -9.513 -5.516 -6.511
80 H ARG 14 H ARG 14 -7.491 -5.114 -3.299
81 HA ARG 14 HA ARG 14 -10.372 -5.552 -3.121
82 HB2 ARG 14 2HB ARG 14 -8.454 -5.934 -0.826
83 HB3 ARG 14 1HB ARG 14 -10.145 -5.536 -0.562
84 HG2 ARG 14 2HG ARG 14 -10.787 -7.573 -1.795
85 HG3 ARG 14 1HG ARG 14 -9.078 -7.980 -1.964
86 HD2 ARG 14 2HD ARG 14 -8.850 -8.078 0.460
87 HD3 ARG 14 1HD ARG 14 -10.544 -7.628 0.648
88 HE ARG 14 HE ARG 14 -10.217 -9.973 -0.951
89 HH11 ARG 14 1HH1 ARG 14 -10.343 -8.866 2.381
90 HH12 ARG 14 2HH1 ARG 14 -10.852 -10.404 2.992
91 HH21 ARG 14 1HH2 ARG 14 -10.886 -11.976 -0.128
92 HH22 ARG 14 2HH2 ARG 14 -11.159 -12.163 1.573
93 H LEU 15 H LEU 15 -7.558 -3.716 -1.984
94 HA LEU 15 HA LEU 15 -9.187 -1.265 -2.058
95 HB2 LEU 15 2HB LEU 15 -8.259 -2.388 0.264
96 HB3 LEU 15 1HB LEU 15 -6.966 -1.275 -0.130
97 HG LEU 15 HG LEU 15 -9.836 -0.366 -0.001
98 HD11 LEU 15 1HD1 LEU 15 -7.842 -0.377 2.259
99 HD12 LEU 15 2HD1 LEU 15 -9.252 -1.432 2.137
100 HD13 LEU 15 3HD1 LEU 15 -9.466 0.313 2.292
101 HD21 LEU 15 3HD2 LEU 15 -8.358 1.189 -1.084
102 HD22 LEU 15 1HD2 LEU 15 -7.178 1.044 0.217
103 HD23 LEU 15 2HD2 LEU 15 -8.738 1.807 0.522
104 H TYR 16 H TYR 16 -8.108 0.623 -2.692
105 HA TYR 16 HA TYR 16 -5.716 0.164 -4.299
106 HB2 TYR 16 2HB TYR 16 -7.891 1.411 -5.047
107 HB3 TYR 16 1HB TYR 16 -7.195 2.774 -4.179
108 HD1 TYR 16 1HD TYR 16 -5.187 3.882 -5.006
109 HD2 TYR 16 2HD TYR 16 -6.902 0.606 -7.111
110 HE1 TYR 16 1HE TYR 16 -3.836 4.451 -6.979
111 HE2 TYR 16 2HE TYR 16 -5.555 1.166 -9.091
112 HH TYR 16 HH TYR 16 -4.407 3.118 -10.046
113 H CYS 17 H CYS 17 -3.877 1.529 -4.191
114 HA CYS 17 HA CYS 17 -3.312 2.499 -1.492
115 HB2 CYS 17 2HB CYS 17 -1.697 1.420 -3.718
116 HB3 CYS 17 1HB CYS 17 -0.938 2.702 -2.780
117 H CYS 18 H CYS 18 -2.764 4.555 -0.999
118 HA CYS 18 HA CYS 18 -3.571 6.641 -2.783
119 HB2 CYS 18 2HB CYS 18 -2.204 6.837 -0.095
120 HB3 CYS 18 1HB CYS 18 -3.004 8.152 -0.945
121 H SER 19 H SER 19 -0.496 5.243 -1.879
122 HA SER 19 HA SER 19 1.017 7.418 -3.105
123 HB2 SER 19 2HB SER 19 3.011 6.105 -2.327
124 HB3 SER 19 1HB SER 19 1.920 6.598 -1.033
125 HG SER 19 HG SER 19 2.731 4.286 -1.182
126 H GLY 20 H GLY 20 0.029 4.129 -3.778
127 HA2 GLY 20 2HA GLY 20 -0.072 3.115 -5.878
128 HA3 GLY 20 1HA GLY 20 0.928 4.402 -6.526
129 H PHE 21 H PHE 21 2.853 3.825 -4.180
130 HA PHE 21 HA PHE 21 4.394 1.818 -5.619
131 HB2 PHE 21 2HB PHE 21 5.630 3.787 -5.103
132 HB3 PHE 21 1HB PHE 21 5.087 3.787 -3.435
133 HD1 PHE 21 2HD PHE 21 6.854 1.334 -5.676
134 HD2 PHE 21 1HD PHE 21 6.760 3.374 -1.937
135 HE1 PHE 21 2HE PHE 21 8.907 0.165 -4.984
136 HE2 PHE 21 1HE PHE 21 8.813 2.211 -1.251
137 HZ PHE 21 HZ PHE 21 9.885 0.608 -2.768
138 H CYS 22 H CYS 22 4.473 -0.216 -5.067
139 HA CYS 22 HA CYS 22 3.763 -1.014 -2.326
140 HB2 CYS 22 2HB CYS 22 3.285 -2.369 -4.970
141 HB3 CYS 22 1HB CYS 22 3.251 -3.271 -3.459
142 H ASP 23 H ASP 23 5.348 -1.807 -1.147
143 HA ASP 23 HA ASP 23 7.855 -2.601 -2.398
144 HB2 ASP 23 2HB ASP 23 7.147 -1.344 0.044
145 HB3 ASP 23 1HB ASP 23 7.906 -2.879 0.458
146 H SER 24 H SER 24 8.373 -4.625 -2.787
147 HA SER 24 HA SER 24 6.706 -6.800 -1.840
148 HB2 SER 24 2HB SER 24 8.111 -8.177 -3.397
149 HB3 SER 24 1HB SER 24 7.289 -6.824 -4.173
150 HG SER 24 HG SER 24 9.871 -6.410 -3.190
151 H TYR 25 H TYR 25 9.460 -5.286 -0.686
152 HA TYR 25 HA TYR 25 10.910 -7.559 0.300
153 HB2 TYR 25 2HB TYR 25 11.715 -5.098 -0.146
154 HB3 TYR 25 1HB TYR 25 11.161 -4.823 1.500
155 HD1 TYR 25 1HD TYR 25 12.315 -5.839 3.387
156 HD2 TYR 25 2HD TYR 25 13.659 -6.484 -0.597
157 HE1 TYR 25 1HE TYR 25 14.447 -6.705 4.254
158 HE2 TYR 25 2HE TYR 25 15.795 -7.353 0.257
159 HH TYR 25 HH TYR 25 17.170 -7.186 2.289
160 H THR 26 H THR 26 8.196 -5.743 1.372
161 HA THR 26 HA THR 26 8.058 -7.329 3.834
162 HB THR 26 HB THR 26 7.129 -5.290 5.025
163 HG1 THR 26 1HG THR 26 6.779 -3.875 3.345
164 HG21 THR 26 3HG2 THR 26 10.026 -5.195 4.167
165 HG22 THR 26 1HG2 THR 26 9.370 -6.140 5.506
166 HG23 THR 26 2HG2 THR 26 9.343 -4.378 5.575
167 H LYS 27 H LYS 27 6.651 -6.500 1.000
168 HA LYS 27 HA LYS 27 4.596 -6.632 0.052
169 HB2 LYS 27 2HB LYS 27 4.135 -8.377 2.472
170 HB3 LYS 27 1HB LYS 27 2.908 -8.149 1.233
171 HG2 LYS 27 2HG LYS 27 4.450 -9.049 -0.448
172 HG3 LYS 27 1HG LYS 27 5.660 -9.299 0.812
173 HD2 LYS 27 2HD LYS 27 4.146 -10.835 1.965
174 HD3 LYS 27 1HD LYS 27 2.926 -10.575 0.716
175 HE2 LYS 27 2HE LYS 27 4.454 -11.498 -0.961
176 HE3 LYS 27 1HE LYS 27 5.669 -11.760 0.291
177 HZ1 LYS 27 3HZ LYS 27 4.152 -13.289 1.389
178 HZ2 LYS 27 1HZ LYS 27 4.453 -13.786 -0.201
179 HZ3 LYS 27 2HZ LYS 27 2.987 -13.036 0.188
180 H THR 28 H THR 28 5.004 -4.266 1.251
181 HA THR 28 HA THR 28 2.309 -3.514 2.144
182 HB THR 28 HB THR 28 3.378 -1.891 3.794
183 HG1 THR 28 1HG THR 28 5.576 -2.522 2.826
184 HG21 THR 28 3HG2 THR 28 3.604 -4.851 4.354
185 HG22 THR 28 1HG2 THR 28 2.155 -3.864 4.542
186 HG23 THR 28 2HG2 THR 28 3.557 -3.579 5.574
187 H CYS 29 H CYS 29 1.880 -1.187 1.962
188 HA CYS 29 HA CYS 29 3.099 -0.110 -0.436
189 HB2 CYS 29 2HB CYS 29 0.539 0.056 0.765
190 HB3 CYS 29 1HB CYS 29 1.189 1.691 0.692
191 H LYS 30 H LYS 30 4.488 1.505 -0.573
192 HA LYS 30 HA LYS 30 5.052 3.134 1.817
193 HB2 LYS 30 2HB LYS 30 7.026 1.710 0.039
194 HB3 LYS 30 1HB LYS 30 7.492 3.045 1.082
195 HG2 LYS 30 2HG LYS 30 6.314 1.558 2.921
196 HG3 LYS 30 1HG LYS 30 6.704 0.269 1.780
197 HD2 LYS 30 2HD LYS 30 9.042 0.867 1.841
198 HD3 LYS 30 1HD LYS 30 8.693 2.260 2.867
199 HE2 LYS 30 2HE LYS 30 9.450 0.653 4.367
200 HE3 LYS 30 1HE LYS 30 7.698 0.553 4.504
201 HZ1 LYS 30 3HZ LYS 30 9.410 -1.262 2.892
202 HZ2 LYS 30 1HZ LYS 30 7.726 -1.357 3.024
203 HZ3 LYS 30 2HZ LYS 30 8.698 -1.639 4.379
204 H ASP 31 H ASP 31 6.238 5.152 1.322
205 HA ASP 31 HA ASP 31 5.204 6.385 -1.104
206 HB2 ASP 31 2HB ASP 31 6.562 7.513 1.349
207 HB3 ASP 31 1HB ASP 31 6.141 8.497 -0.049
208 H LYS 32 H LYS 32 6.368 6.694 -2.883
209 HA LYS 32 HA LYS 32 9.226 6.122 -2.828
210 HB2 LYS 32 2HB LYS 32 9.020 6.195 -5.349
211 HB3 LYS 32 1HB LYS 32 8.132 4.916 -4.541
212 HG2 LYS 32 2HG LYS 32 6.056 6.077 -4.850
213 HG3 LYS 32 1HG LYS 32 6.893 7.501 -5.472
214 HD2 LYS 32 2HD LYS 32 7.649 6.249 -7.404
215 HD3 LYS 32 1HD LYS 32 6.921 4.773 -6.764
216 HE2 LYS 32 2HE LYS 32 4.712 5.810 -6.897
217 HE3 LYS 32 1HE LYS 32 5.439 7.282 -7.535
218 HZ1 LYS 32 3HZ LYS 32 4.521 5.913 -9.300
219 HZ2 LYS 32 1HZ LYS 32 5.508 4.617 -8.843
220 HZ3 LYS 32 2HZ LYS 32 6.201 6.031 -9.457
221 H SER 33 H SER 33 7.042 8.717 -3.875
222 HA SER 33 HA SER 33 9.338 10.512 -4.222
223 HB2 SER 33 2HB SER 33 6.445 10.854 -5.055
224 HB3 SER 33 1HB SER 33 7.742 12.006 -5.376
225 HG SER 33 HG SER 33 8.410 10.798 -6.963
226 H SER 34 H SER 34 9.656 12.270 -2.976
227 HA SER 34 HA SER 34 7.900 12.600 -0.648
228 HB2 SER 34 2HB SER 34 10.741 13.545 -1.103
229 HB3 SER 34 1HB SER 34 9.814 13.780 0.379
230 HG SER 34 HG SER 34 9.654 11.438 0.454
231 H ALA 35 H ALA 35 7.057 14.575 -0.066
232 HA ALA 35 HA ALA 35 7.341 16.767 -2.015
233 HB1 ALA 35 1HB ALA 35 4.978 17.292 -1.740
234 HB2 ALA 35 2HB ALA 35 4.795 15.940 -0.622
235 HB3 ALA 35 3HB ALA 35 5.187 15.637 -2.315
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -14.847 2.573 -3.030
2 H2 GLY 1 2HT GLY 1 -15.137 2.817 -4.679
3 H3 GLY 1 3HT GLY 1 -15.115 4.136 -3.621
4 HA2 GLY 1 1HA GLY 1 -12.794 2.413 -4.295
5 HA3 GLY 1 2HA GLY 1 -13.072 4.036 -4.907
6 H TRP 2 H TRP 2 -11.706 2.164 -2.445
7 HA TRP 2 HA TRP 2 -11.468 4.401 -0.572
8 HB2 TRP 2 2HB TRP 2 -10.697 1.483 -0.326
9 HB3 TRP 2 1HB TRP 2 -10.383 2.688 0.916
10 HD1 TRP 2 HD TRP 2 -13.183 0.608 -0.597
11 HE1 TRP 2 1HE TRP 2 -15.273 0.795 0.890
12 HE3 TRP 2 3HE TRP 2 -11.611 4.313 2.573
13 HZ2 TRP 2 2HZ TRP 2 -16.143 2.304 3.107
14 HZ3 TRP 2 3HZ TRP 2 -13.138 5.066 4.348
15 HH2 TRP 2 HH TRP 2 -15.357 4.082 4.607
16 H CYS 3 H CYS 3 -9.440 5.106 0.222
17 HA CYS 3 HA CYS 3 -7.252 4.795 -1.710
18 HB2 CYS 3 2HB CYS 3 -8.200 7.102 -1.054
19 HB3 CYS 3 1HB CYS 3 -7.370 6.863 0.479
20 H GLY 4 H GLY 4 -5.495 3.674 -1.183
21 HA2 GLY 4 2HA GLY 4 -5.305 2.441 1.423
22 HA3 GLY 4 1HA GLY 4 -4.263 2.137 0.046
23 H ASP 5 H ASP 5 -4.338 3.285 3.096
24 HA ASP 5 HA ASP 5 -2.343 5.394 2.782
25 HB2 ASP 5 2HB ASP 5 -3.941 4.353 5.116
26 HB3 ASP 5 1HB ASP 5 -2.596 5.463 5.346
27 HA HYP 6 HA HYP 6 1.303 2.958 3.616
28 HB2 HYP 6 2HB HYP 6 2.488 4.461 5.664
29 HB3 HYP 6 1HB HYP 6 2.706 4.734 3.925
30 HG HYP 6 2HG HYP 6 0.931 6.154 5.850
31 HD22 HYP 6 1HD HYP 6 0.231 6.064 2.928
32 HD23 HYP 6 2HD HYP 6 -0.819 6.362 4.328
33 HD1 HYP 6 1HG HYP 6 2.233 7.621 4.995
34 H GLY 7 H GLY 7 1.543 1.132 4.697
35 HA2 GLY 7 2HA GLY 7 1.964 0.011 6.826
36 HA3 GLY 7 1HA GLY 7 0.684 0.994 7.521
37 H ALA 8 H ALA 8 -0.158 0.001 4.431
38 HA ALA 8 HA ALA 8 -1.940 -2.069 5.498
39 HB1 ALA 8 1HB ALA 8 -2.987 -0.202 4.304
40 HB2 ALA 8 2HB ALA 8 -3.255 -1.734 3.472
41 HB3 ALA 8 3HB ALA 8 -2.050 -0.599 2.864
42 H THR 9 H THR 9 -2.237 -4.061 4.372
43 HA THR 9 HA THR 9 0.224 -5.136 3.287
44 HB THR 9 HB THR 9 -2.271 -6.780 3.362
45 HG1 THR 9 1HG THR 9 -2.552 -6.066 5.370
46 HG21 THR 9 3HG2 THR 9 -0.711 -8.499 4.165
47 HG22 THR 9 1HG2 THR 9 0.591 -7.309 4.185
48 HG23 THR 9 2HG2 THR 9 -0.148 -7.782 2.655
49 H CYS 10 H CYS 10 0.711 -5.154 1.212
50 HA CYS 10 HA CYS 10 -1.435 -4.931 -0.789
51 HB2 CYS 10 2HB CYS 10 0.249 -3.099 -0.742
52 HB3 CYS 10 1HB CYS 10 1.508 -4.278 -1.086
53 H GLY 11 H GLY 11 -1.947 -6.754 -1.783
54 HA2 GLY 11 2HA GLY 11 -0.582 -8.336 -3.414
55 HA3 GLY 11 1HA GLY 11 -0.051 -8.974 -1.866
56 H LYS 12 H LYS 12 -2.310 -8.965 -0.359
57 HA LYS 12 HA LYS 12 -3.883 -11.062 -1.635
58 HB2 LYS 12 2HB LYS 12 -3.612 -10.122 1.213
59 HB3 LYS 12 1HB LYS 12 -4.877 -11.241 0.730
60 HG2 LYS 12 2HG LYS 12 -3.266 -12.695 1.461
61 HG3 LYS 12 1HG LYS 12 -2.873 -12.613 -0.256
62 HD2 LYS 12 2HD LYS 12 -1.131 -10.970 0.207
63 HD3 LYS 12 1HD LYS 12 -1.546 -10.996 1.922
64 HE2 LYS 12 2HE LYS 12 -0.941 -13.368 2.025
65 HE3 LYS 12 1HE LYS 12 -0.519 -13.333 0.314
66 HZ1 LYS 12 3HZ LYS 12 1.442 -13.124 1.694
67 HZ2 LYS 12 1HZ LYS 12 0.799 -11.759 2.461
68 HZ3 LYS 12 2HZ LYS 12 1.197 -11.698 0.818
69 H LEU 13 H LEU 13 -4.362 -7.883 -0.144
70 HA LEU 13 HA LEU 13 -7.206 -7.920 -0.802
71 HB2 LEU 13 2HB LEU 13 -5.501 -5.933 0.698
72 HB3 LEU 13 1HB LEU 13 -7.200 -5.682 0.355
73 HG LEU 13 HG LEU 13 -7.444 -8.016 1.589
74 HD11 LEU 13 1HD1 LEU 13 -4.921 -6.877 2.786
75 HD12 LEU 13 2HD1 LEU 13 -5.052 -8.385 1.880
76 HD13 LEU 13 3HD1 LEU 13 -5.860 -8.219 3.438
77 HD21 LEU 13 3HD2 LEU 13 -7.837 -6.785 3.674
78 HD22 LEU 13 1HD2 LEU 13 -8.516 -5.951 2.277
79 HD23 LEU 13 2HD2 LEU 13 -7.008 -5.384 2.994
80 H ARG 14 H ARG 14 -8.202 -6.413 -2.159
81 HA ARG 14 HA ARG 14 -6.444 -5.340 -4.232
82 HB2 ARG 14 2HB ARG 14 -9.400 -5.922 -4.152
83 HB3 ARG 14 1HB ARG 14 -8.675 -4.988 -5.452
84 HG2 ARG 14 2HG ARG 14 -7.213 -6.887 -5.985
85 HG3 ARG 14 1HG ARG 14 -7.985 -7.823 -4.703
86 HD2 ARG 14 2HD ARG 14 -10.133 -7.628 -5.847
87 HD3 ARG 14 1HD ARG 14 -9.376 -6.670 -7.118
88 HE ARG 14 HE ARG 14 -8.062 -9.162 -6.835
89 HH11 ARG 14 1HH1 ARG 14 -11.016 -7.781 -8.140
90 HH12 ARG 14 2HH1 ARG 14 -11.211 -9.030 -9.324
91 HH21 ARG 14 2HH2 ARG 14 -8.339 -10.786 -8.392
92 HH22 ARG 14 1HH2 ARG 14 -9.698 -10.729 -9.465
93 H LEU 15 H LEU 15 -5.657 -3.553 -3.104
94 HA LEU 15 HA LEU 15 -7.413 -1.228 -3.192
95 HB2 LEU 15 2HB LEU 15 -7.517 -2.045 -0.852
96 HB3 LEU 15 1HB LEU 15 -5.776 -1.937 -0.742
97 HG LEU 15 HG LEU 15 -5.943 0.536 -1.008
98 HD11 LEU 15 1HD1 LEU 15 -8.910 0.031 -0.849
99 HD12 LEU 15 2HD1 LEU 15 -8.028 0.750 -2.197
100 HD13 LEU 15 3HD1 LEU 15 -8.138 1.606 -0.660
101 HD21 LEU 15 3HD2 LEU 15 -7.070 0.914 1.238
102 HD22 LEU 15 1HD2 LEU 15 -5.718 -0.219 1.200
103 HD23 LEU 15 2HD2 LEU 15 -7.374 -0.823 1.250
104 H TYR 16 H TYR 16 -6.392 0.622 -3.782
105 HA TYR 16 HA TYR 16 -3.618 0.358 -4.659
106 HB2 TYR 16 2HB TYR 16 -5.782 2.364 -5.305
107 HB3 TYR 16 1HB TYR 16 -4.121 2.536 -5.859
108 HD1 TYR 16 2HD TYR 16 -7.240 0.655 -6.236
109 HD2 TYR 16 1HD TYR 16 -3.223 1.067 -7.578
110 HE1 TYR 16 2HE TYR 16 -7.752 -0.755 -8.184
111 HE2 TYR 16 1HE TYR 16 -3.725 -0.341 -9.531
112 HH TYR 16 HH TYR 16 -6.889 -1.147 -10.452
113 H CYS 17 H CYS 17 -2.092 2.081 -4.327
114 HA CYS 17 HA CYS 17 -2.159 3.110 -1.626
115 HB2 CYS 17 2HB CYS 17 -0.147 2.313 -3.437
116 HB3 CYS 17 1HB CYS 17 0.115 4.023 -3.121
117 H CYS 18 H CYS 18 -2.292 5.191 -0.980
118 HA CYS 18 HA CYS 18 -3.631 7.095 -2.542
119 HB2 CYS 18 2HB CYS 18 -2.107 7.308 0.046
120 HB3 CYS 18 1HB CYS 18 -2.924 8.691 -0.675
121 H SER 19 H SER 19 -0.205 6.567 -2.006
122 HA SER 19 HA SER 19 0.512 8.994 -3.479
123 HB2 SER 19 2HB SER 19 2.857 8.374 -2.819
124 HB3 SER 19 1HB SER 19 1.777 8.660 -1.455
125 HG SER 19 HG SER 19 2.234 6.719 -0.829
126 H GLY 20 H GLY 20 0.432 5.526 -3.794
127 HA2 GLY 20 2HA GLY 20 0.296 4.475 -5.929
128 HA3 GLY 20 1HA GLY 20 1.254 5.782 -6.601
129 H PHE 21 H PHE 21 1.855 3.702 -3.759
130 HA PHE 21 HA PHE 21 4.081 2.429 -5.156
131 HB2 PHE 21 2HB PHE 21 5.118 4.378 -4.089
132 HB3 PHE 21 1HB PHE 21 4.430 3.925 -2.538
133 HD1 PHE 21 2HD PHE 21 5.219 1.794 -1.444
134 HD2 PHE 21 1HD PHE 21 7.195 3.507 -4.800
135 HE1 PHE 21 2HE PHE 21 7.227 0.471 -0.930
136 HE2 PHE 21 1HE PHE 21 9.211 2.189 -4.283
137 HZ PHE 21 HZ PHE 21 9.214 0.671 -2.335
138 H CYS 22 H CYS 22 3.722 0.356 -4.972
139 HA CYS 22 HA CYS 22 2.801 -0.744 -2.399
140 HB2 CYS 22 2HB CYS 22 1.881 -1.201 -5.114
141 HB3 CYS 22 1HB CYS 22 2.400 -2.706 -4.364
142 H ASP 23 H ASP 23 4.469 -1.583 -1.327
143 HA ASP 23 HA ASP 23 6.867 -2.490 -2.637
144 HB2 ASP 23 2HB ASP 23 6.153 -1.643 -0.030
145 HB3 ASP 23 1HB ASP 23 6.778 -3.282 0.123
146 H SER 24 H SER 24 7.189 -4.428 -3.448
147 HA SER 24 HA SER 24 5.336 -6.594 -2.959
148 HB2 SER 24 2HB SER 24 6.659 -7.755 -4.743
149 HB3 SER 24 1HB SER 24 5.970 -6.210 -5.239
150 HG SER 24 HG SER 24 8.639 -6.906 -4.758
151 H TYR 25 H TYR 25 8.735 -5.901 -2.236
152 HA TYR 25 HA TYR 25 9.435 -8.526 -1.398
153 HB2 TYR 25 2HB TYR 25 10.911 -6.398 -0.025
154 HB3 TYR 25 1HB TYR 25 11.509 -7.702 -1.037
155 HD1 TYR 25 1HD TYR 25 11.379 -7.383 -3.580
156 HD2 TYR 25 2HD TYR 25 10.850 -4.208 -0.801
157 HE1 TYR 25 1HE TYR 25 11.863 -5.758 -5.354
158 HE2 TYR 25 2HE TYR 25 11.331 -2.574 -2.562
159 HH TYR 25 HH TYR 25 11.417 -3.388 -5.857
160 H THR 26 H THR 26 8.143 -5.724 0.284
161 HA THR 26 HA THR 26 8.096 -7.178 2.827
162 HB THR 26 HB THR 26 7.421 -5.023 3.843
163 HG1 THR 26 1HG THR 26 7.999 -3.700 1.429
164 HG21 THR 26 3HG2 THR 26 9.867 -4.706 2.096
165 HG22 THR 26 1HG2 THR 26 9.826 -5.622 3.605
166 HG23 THR 26 2HG2 THR 26 9.538 -3.882 3.621
167 H LYS 27 H LYS 27 6.113 -6.560 0.177
168 HA LYS 27 HA LYS 27 3.917 -6.811 -0.330
169 HB2 LYS 27 2HB LYS 27 4.068 -8.595 2.103
170 HB3 LYS 27 1HB LYS 27 2.619 -8.459 1.119
171 HG2 LYS 27 2HG LYS 27 3.847 -9.265 -0.825
172 HG3 LYS 27 1HG LYS 27 5.321 -9.369 0.141
173 HD2 LYS 27 2HD LYS 27 4.255 -11.024 1.591
174 HD3 LYS 27 1HD LYS 27 2.775 -10.911 0.637
175 HE2 LYS 27 2HE LYS 27 3.991 -11.710 -1.333
176 HE3 LYS 27 1HE LYS 27 5.466 -11.825 -0.374
177 HZ1 LYS 27 3HZ LYS 27 4.385 -13.476 1.022
178 HZ2 LYS 27 1HZ LYS 27 4.385 -13.972 -0.596
179 HZ3 LYS 27 2HZ LYS 27 2.970 -13.364 0.103
180 H THR 28 H THR 28 4.442 -4.436 0.888
181 HA THR 28 HA THR 28 1.891 -3.838 2.193
182 HB THR 28 HB THR 28 3.130 -2.315 3.837
183 HG1 THR 28 1HG THR 28 5.257 -3.967 2.935
184 HG21 THR 28 3HG2 THR 28 3.507 -4.149 5.455
185 HG22 THR 28 1HG2 THR 28 3.351 -5.313 4.138
186 HG23 THR 28 2HG2 THR 28 1.975 -4.309 4.594
187 H CYS 29 H CYS 29 1.420 -1.521 2.275
188 HA CYS 29 HA CYS 29 2.356 -0.168 -0.120
189 HB2 CYS 29 2HB CYS 29 -0.070 -0.246 1.337
190 HB3 CYS 29 1HB CYS 29 0.514 1.412 1.411
191 H LYS 30 H LYS 30 3.694 1.545 -0.186
192 HA LYS 30 HA LYS 30 4.311 2.989 2.303
193 HB2 LYS 30 2HB LYS 30 6.375 1.784 0.449
194 HB3 LYS 30 1HB LYS 30 6.752 2.948 1.700
195 HG2 LYS 30 2HG LYS 30 5.757 1.294 3.343
196 HG3 LYS 30 1HG LYS 30 5.769 0.130 2.016
197 HD2 LYS 30 2HD LYS 30 8.182 0.433 1.766
198 HD3 LYS 30 1HD LYS 30 8.175 1.604 3.088
199 HE2 LYS 30 2HE LYS 30 7.377 -0.134 4.617
200 HE3 LYS 30 1HE LYS 30 7.387 -1.301 3.295
201 HZ1 LYS 30 3HZ LYS 30 9.776 -1.000 3.093
202 HZ2 LYS 30 1HZ LYS 30 9.370 -1.491 4.661
203 HZ3 LYS 30 2HZ LYS 30 9.767 0.124 4.356
204 H ASP 31 H ASP 31 5.861 4.920 1.725
205 HA ASP 31 HA ASP 31 4.565 6.415 -0.409
206 HB2 ASP 31 2HB ASP 31 6.496 7.221 1.772
207 HB3 ASP 31 1HB ASP 31 5.925 8.333 0.533
208 H LYS 32 H LYS 32 5.705 7.519 -2.062
209 HA LYS 32 HA LYS 32 8.092 6.100 -2.968
210 HB2 LYS 32 2HB LYS 32 5.952 6.640 -4.376
211 HB3 LYS 32 1HB LYS 32 6.683 8.228 -4.553
212 HG2 LYS 32 2HG LYS 32 8.651 7.227 -5.579
213 HG3 LYS 32 1HG LYS 32 7.959 5.618 -5.361
214 HD2 LYS 32 2HD LYS 32 6.087 6.230 -6.817
215 HD3 LYS 32 1HD LYS 32 6.782 7.837 -7.034
216 HE2 LYS 32 2HE LYS 32 8.768 6.840 -8.056
217 HE3 LYS 32 1HE LYS 32 8.078 5.234 -7.834
218 HZ1 LYS 32 3HZ LYS 32 6.259 5.853 -9.300
219 HZ2 LYS 32 1HZ LYS 32 7.746 6.034 -10.086
220 HZ3 LYS 32 2HZ LYS 32 6.922 7.394 -9.513
221 H SER 33 H SER 33 7.013 9.408 -2.254
222 HA SER 33 HA SER 33 9.755 10.401 -2.561
223 HB2 SER 33 2HB SER 33 7.152 11.907 -2.194
224 HB3 SER 33 1HB SER 33 8.734 12.650 -2.434
225 HG SER 33 HG SER 33 7.348 10.965 -4.252
226 H SER 34 H SER 34 10.881 11.371 -0.914
227 HA SER 34 HA SER 34 9.905 10.804 1.793
228 HB2 SER 34 2HB SER 34 12.125 9.889 1.057
229 HB3 SER 34 1HB SER 34 12.713 11.546 0.936
230 HG SER 34 HG SER 34 13.168 10.455 2.966
231 H ALA 35 H ALA 35 11.305 13.419 -0.158
232 HA ALA 35 HA ALA 35 10.723 15.347 1.973
233 HB1 ALA 35 1HB ALA 35 12.125 16.902 0.727
234 HB2 ALA 35 2HB ALA 35 12.308 15.720 -0.567
235 HB3 ALA 35 3HB ALA 35 12.981 15.391 1.028
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -11.659 5.917 -5.891
2 H2 GLY 1 2HT GLY 1 -11.467 4.802 -7.149
3 H3 GLY 1 3HT GLY 1 -10.166 5.158 -6.129
4 HA2 GLY 1 1HA GLY 1 -12.681 3.801 -5.326
5 HA3 GLY 1 2HA GLY 1 -11.130 3.012 -5.574
6 H TRP 2 H TRP 2 -10.817 2.262 -3.530
7 HA TRP 2 HA TRP 2 -10.917 4.139 -1.285
8 HB2 TRP 2 2HB TRP 2 -10.586 1.132 -1.371
9 HB3 TRP 2 1HB TRP 2 -10.555 2.085 0.109
10 HD1 TRP 2 HD TRP 2 -12.953 0.861 -2.613
11 HE1 TRP 2 1HE TRP 2 -15.368 1.103 -1.761
12 HE3 TRP 2 3HE TRP 2 -12.042 3.413 1.734
13 HZ2 TRP 2 2HZ TRP 2 -16.710 2.222 0.451
14 HZ3 TRP 2 3HZ TRP 2 -13.952 4.029 3.157
15 HH2 TRP 2 HH TRP 2 -16.238 3.446 2.526
16 H CYS 3 H CYS 3 -9.169 4.476 0.108
17 HA CYS 3 HA CYS 3 -6.532 3.625 -0.881
18 HB2 CYS 3 2HB CYS 3 -6.784 5.911 -1.588
19 HB3 CYS 3 1HB CYS 3 -7.349 6.400 0.000
20 H GLY 4 H GLY 4 -5.033 3.091 0.628
21 HA2 GLY 4 2HA GLY 4 -6.002 2.842 3.392
22 HA3 GLY 4 1HA GLY 4 -4.724 1.887 2.664
23 H ASP 5 H ASP 5 -4.234 2.897 5.082
24 HA ASP 5 HA ASP 5 -2.794 5.418 4.822
25 HB2 ASP 5 2HB ASP 5 -3.431 3.636 7.176
26 HB3 ASP 5 1HB ASP 5 -2.373 5.035 7.310
27 HA HYP 6 HA HYP 6 1.312 3.723 4.291
28 HB2 HYP 6 2HB HYP 6 2.308 5.233 6.649
29 HB3 HYP 6 1HB HYP 6 2.840 5.302 4.957
30 HG HYP 6 2HG HYP 6 1.451 7.307 6.023
31 HD22 HYP 6 1HD HYP 6 -0.957 6.606 5.002
32 HD23 HYP 6 2HD HYP 6 -0.521 6.276 6.692
33 HD1 HYP 6 1HG HYP 6 0.405 6.554 3.544
34 H GLY 7 H GLY 7 1.840 1.722 4.778
35 HA2 GLY 7 2HA GLY 7 2.958 0.212 6.326
36 HA3 GLY 7 1HA GLY 7 1.976 0.899 7.612
37 H ALA 8 H ALA 8 0.244 0.453 4.735
38 HA ALA 8 HA ALA 8 -1.246 -1.772 5.882
39 HB1 ALA 8 1HB ALA 8 -2.901 -1.293 4.158
40 HB2 ALA 8 2HB ALA 8 -1.811 -0.121 3.417
41 HB3 ALA 8 3HB ALA 8 -2.467 0.180 5.026
42 H THR 9 H THR 9 -1.750 -3.683 4.694
43 HA THR 9 HA THR 9 0.471 -4.699 3.156
44 HB THR 9 HB THR 9 -2.026 -6.308 3.407
45 HG1 THR 9 1HG THR 9 -1.482 -6.784 5.609
46 HG21 THR 9 3HG2 THR 9 -0.417 -8.090 3.923
47 HG22 THR 9 1HG2 THR 9 0.897 -6.914 3.892
48 HG23 THR 9 2HG2 THR 9 -0.003 -7.270 2.418
49 H CYS 10 H CYS 10 0.592 -5.036 1.013
50 HA CYS 10 HA CYS 10 -1.681 -4.162 -0.637
51 HB2 CYS 10 2HB CYS 10 0.486 -2.952 -0.891
52 HB3 CYS 10 1HB CYS 10 1.221 -4.455 -1.437
53 H GLY 11 H GLY 11 -2.434 -5.385 -2.345
54 HA2 GLY 11 2HA GLY 11 -1.245 -7.935 -3.011
55 HA3 GLY 11 1HA GLY 11 -2.764 -8.060 -2.138
56 H LYS 12 H LYS 12 -3.768 -9.064 -3.901
57 HA LYS 12 HA LYS 12 -4.144 -7.423 -6.312
58 HB2 LYS 12 2HB LYS 12 -4.495 -10.371 -5.792
59 HB3 LYS 12 1HB LYS 12 -5.146 -9.596 -7.229
60 HG2 LYS 12 2HG LYS 12 -2.888 -8.881 -7.858
61 HG3 LYS 12 1HG LYS 12 -2.244 -9.686 -6.426
62 HD2 LYS 12 2HD LYS 12 -3.074 -11.831 -7.256
63 HD3 LYS 12 1HD LYS 12 -3.733 -11.029 -8.682
64 HE2 LYS 12 2HE LYS 12 -1.475 -10.332 -9.326
65 HE3 LYS 12 1HE LYS 12 -0.820 -11.140 -7.903
66 HZ1 LYS 12 3HZ LYS 12 -0.591 -12.508 -9.876
67 HZ2 LYS 12 1HZ LYS 12 -2.263 -12.469 -10.134
68 HZ3 LYS 12 2HZ LYS 12 -1.635 -13.245 -8.768
69 H LEU 13 H LEU 13 -5.931 -9.204 -3.823
70 HA LEU 13 HA LEU 13 -8.485 -8.186 -4.804
71 HB2 LEU 13 2HB LEU 13 -8.006 -10.586 -3.950
72 HB3 LEU 13 1HB LEU 13 -8.098 -9.881 -2.350
73 HG LEU 13 HG LEU 13 -10.431 -8.995 -3.227
74 HD11 LEU 13 1HD1 LEU 13 -11.518 -10.611 -4.705
75 HD12 LEU 13 2HD1 LEU 13 -9.985 -11.457 -4.911
76 HD13 LEU 13 3HD1 LEU 13 -10.169 -9.809 -5.508
77 HD21 LEU 13 3HD2 LEU 13 -11.476 -11.002 -2.283
78 HD22 LEU 13 1HD2 LEU 13 -10.119 -10.445 -1.304
79 HD23 LEU 13 2HD2 LEU 13 -9.927 -11.840 -2.365
80 H ARG 14 H ARG 14 -6.132 -6.832 -3.101
81 HA ARG 14 HA ARG 14 -7.722 -5.703 -0.928
82 HB2 ARG 14 2HB ARG 14 -4.799 -5.584 -1.652
83 HB3 ARG 14 1HB ARG 14 -5.486 -4.536 -0.419
84 HG2 ARG 14 2HG ARG 14 -6.119 -6.419 0.920
85 HG3 ARG 14 1HG ARG 14 -5.653 -7.541 -0.361
86 HD2 ARG 14 2HD ARG 14 -3.330 -6.838 -0.145
87 HD3 ARG 14 1HD ARG 14 -3.786 -5.683 1.107
88 HE ARG 14 HE ARG 14 -4.614 -7.817 2.301
89 HH11 ARG 14 1HH1 ARG 14 -1.744 -7.653 0.284
90 HH12 ARG 14 2HH1 ARG 14 -0.936 -8.930 1.130
91 HH21 ARG 14 1HH2 ARG 14 -3.537 -9.484 3.396
92 HH22 ARG 14 2HH2 ARG 14 -1.952 -9.966 2.890
93 H LEU 15 H LEU 15 -7.341 -3.254 -0.550
94 HA LEU 15 HA LEU 15 -8.411 -1.859 -2.809
95 HB2 LEU 15 2HB LEU 15 -8.480 0.092 -1.292
96 HB3 LEU 15 1HB LEU 15 -9.245 -1.329 -0.616
97 HG LEU 15 HG LEU 15 -6.824 -1.601 0.512
98 HD11 LEU 15 1HD1 LEU 15 -5.885 0.383 -0.533
99 HD12 LEU 15 2HD1 LEU 15 -5.990 0.588 1.215
100 HD13 LEU 15 3HD1 LEU 15 -7.169 1.373 0.163
101 HD21 LEU 15 3HD2 LEU 15 -8.806 -1.597 1.810
102 HD22 LEU 15 1HD2 LEU 15 -9.131 0.096 1.433
103 HD23 LEU 15 2HD2 LEU 15 -7.768 -0.330 2.469
104 H TYR 16 H TYR 16 -7.529 0.412 -3.345
105 HA TYR 16 HA TYR 16 -4.742 0.107 -4.144
106 HB2 TYR 16 2HB TYR 16 -6.897 2.070 -4.936
107 HB3 TYR 16 1HB TYR 16 -5.232 2.202 -5.490
108 HD1 TYR 16 1HD TYR 16 -4.329 0.619 -7.101
109 HD2 TYR 16 2HD TYR 16 -8.354 0.307 -5.758
110 HE1 TYR 16 1HE TYR 16 -4.823 -0.916 -8.958
111 HE2 TYR 16 2HE TYR 16 -8.858 -1.229 -7.610
112 HH TYR 16 HH TYR 16 -6.449 -2.675 -9.510
113 H CYS 17 H CYS 17 -3.168 1.750 -3.836
114 HA CYS 17 HA CYS 17 -3.570 3.289 -1.368
115 HB2 CYS 17 2HB CYS 17 -1.090 2.177 -2.671
116 HB3 CYS 17 1HB CYS 17 -1.017 3.370 -1.375
117 H CYS 18 H CYS 18 -3.203 5.433 -1.248
118 HA CYS 18 HA CYS 18 -3.686 7.097 -3.395
119 HB2 CYS 18 2HB CYS 18 -2.359 7.665 -0.752
120 HB3 CYS 18 1HB CYS 18 -2.781 8.930 -1.901
121 H SER 19 H SER 19 -0.568 5.926 -2.258
122 HA SER 19 HA SER 19 0.942 7.779 -3.902
123 HB2 SER 19 2HB SER 19 1.734 6.991 -1.653
124 HB3 SER 19 1HB SER 19 1.967 5.390 -2.355
125 HG SER 19 HG SER 19 3.699 7.307 -2.334
126 H GLY 20 H GLY 20 -0.195 4.474 -4.086
127 HA2 GLY 20 2HA GLY 20 -0.363 3.081 -5.922
128 HA3 GLY 20 1HA GLY 20 0.395 4.330 -6.894
129 H PHE 21 H PHE 21 2.003 3.171 -4.023
130 HA PHE 21 HA PHE 21 3.794 1.530 -5.681
131 HB2 PHE 21 2HB PHE 21 4.997 3.571 -5.339
132 HB3 PHE 21 1HB PHE 21 4.567 3.623 -3.638
133 HD1 PHE 21 2HD PHE 21 6.233 1.124 -5.906
134 HD2 PHE 21 1HD PHE 21 6.351 3.295 -2.241
135 HE1 PHE 21 2HE PHE 21 8.350 0.017 -5.316
136 HE2 PHE 21 1HE PHE 21 8.469 2.193 -1.658
137 HZ PHE 21 HZ PHE 21 9.468 0.555 -3.190
138 H CYS 22 H CYS 22 3.873 -0.466 -5.032
139 HA CYS 22 HA CYS 22 3.385 -1.106 -2.201
140 HB2 CYS 22 2HB CYS 22 2.802 -2.731 -4.683
141 HB3 CYS 22 1HB CYS 22 2.663 -3.357 -3.044
142 H ASP 23 H ASP 23 5.099 -1.782 -1.129
143 HA ASP 23 HA ASP 23 7.487 -2.651 -2.537
144 HB2 ASP 23 2HB ASP 23 6.963 -1.314 -0.092
145 HB3 ASP 23 1HB ASP 23 7.760 -2.832 0.315
146 H SER 24 H SER 24 8.007 -4.682 -2.883
147 HA SER 24 HA SER 24 6.409 -6.842 -1.816
148 HB2 SER 24 2HB SER 24 8.730 -6.863 -3.756
149 HB3 SER 24 1HB SER 24 7.721 -8.256 -3.364
150 HG SER 24 HG SER 24 6.049 -6.372 -4.010
151 H TYR 25 H TYR 25 9.167 -5.266 -0.750
152 HA TYR 25 HA TYR 25 10.673 -7.478 0.270
153 HB2 TYR 25 2HB TYR 25 11.392 -4.993 -0.201
154 HB3 TYR 25 1HB TYR 25 10.844 -4.728 1.449
155 HD1 TYR 25 2HD TYR 25 12.046 -5.698 3.331
156 HD2 TYR 25 1HD TYR 25 13.377 -6.316 -0.662
157 HE1 TYR 25 2HE TYR 25 14.214 -6.488 4.182
158 HE2 TYR 25 1HE TYR 25 15.549 -7.107 0.178
159 HH TYR 25 HH TYR 25 16.084 -7.895 3.434
160 H THR 26 H THR 26 7.949 -5.667 1.361
161 HA THR 26 HA THR 26 7.803 -7.282 3.801
162 HB THR 26 HB THR 26 6.929 -5.237 5.032
163 HG1 THR 26 1HG THR 26 6.969 -4.077 2.800
164 HG21 THR 26 3HG2 THR 26 9.826 -5.211 4.172
165 HG22 THR 26 1HG2 THR 26 9.146 -6.165 5.491
166 HG23 THR 26 2HG2 THR 26 9.168 -4.404 5.596
167 H LYS 27 H LYS 27 6.396 -6.406 0.993
168 HA LYS 27 HA LYS 27 4.331 -6.476 0.056
169 HB2 LYS 27 2HB LYS 27 4.488 -8.713 1.458
170 HB3 LYS 27 1HB LYS 27 3.217 -7.961 2.411
171 HG2 LYS 27 2HG LYS 27 1.828 -7.760 0.414
172 HG3 LYS 27 1HG LYS 27 3.107 -8.495 -0.555
173 HD2 LYS 27 2HD LYS 27 2.938 -10.540 0.785
174 HD3 LYS 27 1HD LYS 27 1.655 -9.802 1.745
175 HE2 LYS 27 2HE LYS 27 0.267 -9.610 -0.259
176 HE3 LYS 27 1HE LYS 27 1.552 -10.339 -1.221
177 HZ1 LYS 27 3HZ LYS 27 0.107 -11.655 1.015
178 HZ2 LYS 27 1HZ LYS 27 1.341 -12.356 0.094
179 HZ3 LYS 27 2HZ LYS 27 -0.135 -11.959 -0.631
180 H THR 28 H THR 28 4.839 -4.132 1.325
181 HA THR 28 HA THR 28 2.173 -3.324 2.281
182 HB THR 28 HB THR 28 3.323 -1.720 3.881
183 HG1 THR 28 1HG THR 28 5.448 -2.776 4.568
184 HG21 THR 28 3HG2 THR 28 3.574 -4.679 4.437
185 HG22 THR 28 1HG2 THR 28 2.128 -3.697 4.675
186 HG23 THR 28 2HG2 THR 28 3.566 -3.402 5.653
187 H CYS 29 H CYS 29 1.760 -1.028 2.134
188 HA CYS 29 HA CYS 29 2.754 0.053 -0.346
189 HB2 CYS 29 2HB CYS 29 0.536 0.677 1.532
190 HB3 CYS 29 1HB CYS 29 1.106 1.963 0.479
191 H LYS 30 H LYS 30 4.179 1.618 -0.636
192 HA LYS 30 HA LYS 30 5.025 3.264 1.655
193 HB2 LYS 30 2HB LYS 30 6.784 1.718 -0.242
194 HB3 LYS 30 1HB LYS 30 7.388 3.075 0.698
195 HG2 LYS 30 2HG LYS 30 6.316 1.681 2.688
196 HG3 LYS 30 1HG LYS 30 6.614 0.349 1.569
197 HD2 LYS 30 2HD LYS 30 8.955 0.934 1.437
198 HD3 LYS 30 1HD LYS 30 8.687 2.358 2.446
199 HE2 LYS 30 2HE LYS 30 9.549 0.781 3.926
200 HE3 LYS 30 1HE LYS 30 7.812 0.710 4.201
201 HZ1 LYS 30 3HZ LYS 30 8.770 -1.500 4.065
202 HZ2 LYS 30 1HZ LYS 30 9.372 -1.175 2.516
203 HZ3 LYS 30 2HZ LYS 30 7.703 -1.242 2.779
204 H ASP 31 H ASP 31 6.249 5.223 0.983
205 HA ASP 31 HA ASP 31 4.985 6.443 -1.337
206 HB2 ASP 31 2HB ASP 31 6.670 7.564 0.907
207 HB3 ASP 31 1HB ASP 31 6.123 8.536 -0.456
208 H LYS 32 H LYS 32 5.930 6.689 -3.243
209 HA LYS 32 HA LYS 32 8.772 6.047 -3.528
210 HB2 LYS 32 2HB LYS 32 6.732 5.086 -4.931
211 HB3 LYS 32 1HB LYS 32 6.994 6.544 -5.877
212 HG2 LYS 32 2HG LYS 32 9.310 5.875 -6.275
213 HG3 LYS 32 1HG LYS 32 9.053 4.415 -5.317
214 HD2 LYS 32 2HD LYS 32 7.333 3.684 -6.901
215 HD3 LYS 32 1HD LYS 32 7.594 5.144 -7.858
216 HE2 LYS 32 2HE LYS 32 9.910 4.464 -8.261
217 HE3 LYS 32 1HE LYS 32 9.650 3.007 -7.303
218 HZ1 LYS 32 3HZ LYS 32 9.469 2.554 -9.666
219 HZ2 LYS 32 1HZ LYS 32 8.231 3.696 -9.819
220 HZ3 LYS 32 2HZ LYS 32 7.982 2.296 -8.902
221 H SER 33 H SER 33 10.246 7.416 -4.486
222 HA SER 33 HA SER 33 9.364 10.171 -5.043
223 HB2 SER 33 2HB SER 33 10.497 9.958 -2.809
224 HB3 SER 33 1HB SER 33 11.951 9.432 -3.655
225 HG SER 33 HG SER 33 11.155 11.905 -3.183
226 H SER 34 H SER 34 10.399 11.242 -6.699
227 HA SER 34 HA SER 34 12.323 9.679 -8.291
228 HB2 SER 34 2HB SER 34 11.271 10.711 -10.326
229 HB3 SER 34 1HB SER 34 10.219 9.593 -9.459
230 HG SER 34 HG SER 34 9.144 11.349 -8.565
231 H ALA 35 H ALA 35 14.099 10.711 -8.987
232 HA ALA 35 HA ALA 35 14.263 13.626 -8.598
233 HB1 ALA 35 1HB ALA 35 15.471 12.465 -6.811
234 HB2 ALA 35 2HB ALA 35 16.568 13.377 -7.848
235 HB3 ALA 35 3HB ALA 35 16.446 11.626 -8.017
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -15.848 5.656 -2.792
2 H2 GLY 1 2HT GLY 1 -15.816 5.289 -4.443
3 H3 GLY 1 3HT GLY 1 -14.855 6.542 -3.836
4 HA2 GLY 1 1HA GLY 1 -14.553 3.657 -3.202
5 HA3 GLY 1 2HA GLY 1 -13.521 4.577 -4.286
6 H TRP 2 H TRP 2 -12.809 3.110 -1.876
7 HA TRP 2 HA TRP 2 -12.038 5.214 0.007
8 HB2 TRP 2 2HB TRP 2 -11.844 2.197 0.184
9 HB3 TRP 2 1HB TRP 2 -11.256 3.296 1.425
10 HD1 TRP 2 HD TRP 2 -13.049 4.467 2.988
11 HE1 TRP 2 1HE TRP 2 -15.541 4.012 3.430
12 HE3 TRP 2 3HE TRP 2 -14.048 1.405 -0.996
13 HZ2 TRP 2 2HZ TRP 2 -17.649 2.555 2.255
14 HZ3 TRP 2 3HZ TRP 2 -16.330 0.526 -1.259
15 HH2 TRP 2 HH TRP 2 -18.092 1.090 0.334
16 H CYS 3 H CYS 3 -9.857 5.438 0.731
17 HA CYS 3 HA CYS 3 -7.855 4.572 -1.254
18 HB2 CYS 3 2HB CYS 3 -8.385 7.075 -1.075
19 HB3 CYS 3 1HB CYS 3 -7.590 7.016 0.493
20 H GLY 4 H GLY 4 -5.914 3.761 -0.539
21 HA2 GLY 4 2HA GLY 4 -5.914 2.711 2.176
22 HA3 GLY 4 1HA GLY 4 -4.811 2.273 0.885
23 H ASP 5 H ASP 5 -4.691 3.347 3.811
24 HA ASP 5 HA ASP 5 -3.031 5.709 3.511
25 HB2 ASP 5 2HB ASP 5 -4.016 4.147 5.898
26 HB3 ASP 5 1HB ASP 5 -2.884 5.486 6.052
27 HA HYP 6 HA HYP 6 0.996 3.758 3.577
28 HB2 HYP 6 2HB HYP 6 1.856 5.430 5.869
29 HB3 HYP 6 1HB HYP 6 2.532 5.330 4.231
30 HG HYP 6 2HG HYP 6 1.165 7.480 5.008
31 HD22 HYP 6 1HD HYP 6 -1.178 6.814 3.836
32 HD23 HYP 6 2HD HYP 6 -0.907 6.586 5.576
33 HD1 HYP 6 1HG HYP 6 1.317 7.829 2.912
34 H GLY 7 H GLY 7 1.562 1.847 4.350
35 HA2 GLY 7 2HA GLY 7 2.425 0.541 6.223
36 HA3 GLY 7 1HA GLY 7 1.191 1.285 7.226
37 H ALA 8 H ALA 8 0.065 0.489 4.126
38 HA ALA 8 HA ALA 8 -1.546 -1.687 5.195
39 HB1 ALA 8 1HB ALA 8 -2.615 0.117 3.901
40 HB2 ALA 8 2HB ALA 8 -2.854 -1.467 3.162
41 HB3 ALA 8 3HB ALA 8 -1.665 -0.352 2.490
42 H THR 9 H THR 9 -1.747 -3.731 4.157
43 HA THR 9 HA THR 9 0.773 -4.714 3.076
44 HB THR 9 HB THR 9 -1.563 -6.538 3.461
45 HG1 THR 9 1HG THR 9 -0.297 -5.065 5.495
46 HG21 THR 9 3HG2 THR 9 0.182 -8.041 4.318
47 HG22 THR 9 1HG2 THR 9 1.376 -6.755 4.138
48 HG23 THR 9 2HG2 THR 9 0.589 -7.434 2.713
49 H CYS 10 H CYS 10 1.072 -5.593 1.080
50 HA CYS 10 HA CYS 10 -1.097 -5.211 -0.875
51 HB2 CYS 10 2HB CYS 10 1.893 -5.341 -1.328
52 HB3 CYS 10 1HB CYS 10 0.679 -5.081 -2.577
53 H GLY 11 H GLY 11 -1.527 -6.797 -2.423
54 HA2 GLY 11 2HA GLY 11 -0.262 -9.128 -3.020
55 HA3 GLY 11 1HA GLY 11 -1.100 -9.504 -1.521
56 H LYS 12 H LYS 12 -3.484 -8.582 -1.596
57 HA LYS 12 HA LYS 12 -4.710 -9.775 -3.974
58 HB2 LYS 12 2HB LYS 12 -5.690 -9.244 -1.183
59 HB3 LYS 12 1HB LYS 12 -6.820 -9.579 -2.489
60 HG2 LYS 12 2HG LYS 12 -5.743 -11.724 -2.889
61 HG3 LYS 12 1HG LYS 12 -4.578 -11.387 -1.608
62 HD2 LYS 12 2HD LYS 12 -6.378 -11.325 0.032
63 HD3 LYS 12 1HD LYS 12 -7.565 -11.609 -1.243
64 HE2 LYS 12 2HE LYS 12 -5.300 -13.509 -0.731
65 HE3 LYS 12 1HE LYS 12 -6.818 -13.617 0.159
66 HZ1 LYS 12 3HZ LYS 12 -6.524 -13.781 -2.793
67 HZ2 LYS 12 1HZ LYS 12 -7.986 -13.878 -1.945
68 HZ3 LYS 12 2HZ LYS 12 -6.816 -15.084 -1.755
69 H LEU 13 H LEU 13 -6.486 -8.751 -5.040
70 HA LEU 13 HA LEU 13 -6.229 -5.844 -5.093
71 HB2 LEU 13 2HB LEU 13 -7.551 -7.788 -6.986
72 HB3 LEU 13 1HB LEU 13 -7.625 -6.049 -7.185
73 HG LEU 13 HG LEU 13 -4.984 -6.268 -7.096
74 HD11 LEU 13 1HD1 LEU 13 -4.220 -8.304 -8.214
75 HD12 LEU 13 2HD1 LEU 13 -5.855 -8.961 -8.139
76 HD13 LEU 13 3HD1 LEU 13 -4.956 -8.664 -6.652
77 HD21 LEU 13 3HD2 LEU 13 -6.667 -6.934 -9.507
78 HD22 LEU 13 1HD2 LEU 13 -4.990 -6.392 -9.545
79 HD23 LEU 13 2HD2 LEU 13 -6.249 -5.319 -8.937
80 H ARG 14 H ARG 14 -7.397 -4.989 -3.487
81 HA ARG 14 HA ARG 14 -10.306 -5.251 -3.628
82 HB2 ARG 14 2HB ARG 14 -8.666 -5.704 -1.130
83 HB3 ARG 14 1HB ARG 14 -10.369 -5.274 -1.073
84 HG2 ARG 14 2HG ARG 14 -10.943 -7.296 -2.293
85 HG3 ARG 14 1HG ARG 14 -9.235 -7.719 -2.421
86 HD2 ARG 14 2HD ARG 14 -9.094 -7.838 0.026
87 HD3 ARG 14 1HD ARG 14 -10.809 -7.440 0.138
88 HE ARG 14 HE ARG 14 -10.680 -9.654 -1.481
89 HH11 ARG 14 2HH1 ARG 14 -9.698 -8.941 1.815
90 HH12 ARG 14 1HH1 ARG 14 -9.912 -10.572 2.353
91 HH21 ARG 14 1HH2 ARG 14 -10.953 -11.784 -0.753
92 HH22 ARG 14 2HH2 ARG 14 -10.621 -12.179 0.901
93 H LEU 15 H LEU 15 -7.566 -3.609 -2.064
94 HA LEU 15 HA LEU 15 -8.900 -1.035 -2.502
95 HB2 LEU 15 2HB LEU 15 -9.339 -1.503 -0.192
96 HB3 LEU 15 1HB LEU 15 -7.693 -2.020 0.087
97 HG LEU 15 HG LEU 15 -6.928 0.328 -0.168
98 HD11 LEU 15 1HD1 LEU 15 -8.759 1.126 -1.623
99 HD12 LEU 15 2HD1 LEU 15 -8.493 2.157 -0.218
100 HD13 LEU 15 3HD1 LEU 15 -9.858 1.038 -0.246
101 HD21 LEU 15 3HD2 LEU 15 -9.133 0.087 1.865
102 HD22 LEU 15 1HD2 LEU 15 -7.679 1.079 1.965
103 HD23 LEU 15 2HD2 LEU 15 -7.552 -0.680 2.030
104 H TYR 16 H TYR 16 -7.597 0.570 -3.187
105 HA TYR 16 HA TYR 16 -4.821 -0.119 -3.794
106 HB2 TYR 16 2HB TYR 16 -6.635 2.086 -4.788
107 HB3 TYR 16 1HB TYR 16 -4.931 1.973 -5.215
108 HD1 TYR 16 1HD TYR 16 -8.255 0.511 -5.686
109 HD2 TYR 16 2HD TYR 16 -4.140 0.245 -6.731
110 HE1 TYR 16 1HE TYR 16 -8.832 -0.991 -7.545
111 HE2 TYR 16 2HE TYR 16 -4.704 -1.258 -8.594
112 HH TYR 16 HH TYR 16 -7.878 -1.705 -9.699
113 H CYS 17 H CYS 17 -3.094 1.355 -3.388
114 HA CYS 17 HA CYS 17 -3.394 2.760 -0.858
115 HB2 CYS 17 2HB CYS 17 -0.995 1.929 -2.479
116 HB3 CYS 17 1HB CYS 17 -0.861 2.961 -1.058
117 H CYS 18 H CYS 18 -3.111 4.893 -0.522
118 HA CYS 18 HA CYS 18 -3.778 6.743 -2.484
119 HB2 CYS 18 2HB CYS 18 -2.382 7.172 0.157
120 HB3 CYS 18 1HB CYS 18 -3.060 8.462 -0.829
121 H SER 19 H SER 19 -0.613 5.521 -1.640
122 HA SER 19 HA SER 19 0.777 7.632 -3.095
123 HB2 SER 19 2HB SER 19 1.849 5.198 -1.651
124 HB3 SER 19 1HB SER 19 2.834 6.472 -2.369
125 HG SER 19 HG SER 19 2.041 7.912 -0.882
126 H GLY 20 H GLY 20 -0.209 4.302 -3.517
127 HA2 GLY 20 2HA GLY 20 -0.378 3.056 -5.454
128 HA3 GLY 20 1HA GLY 20 0.289 4.412 -6.342
129 H PHE 21 H PHE 21 1.913 2.857 -3.620
130 HA PHE 21 HA PHE 21 3.751 1.506 -5.460
131 HB2 PHE 21 2HB PHE 21 4.883 3.579 -5.010
132 HB3 PHE 21 1HB PHE 21 4.560 3.455 -3.290
133 HD1 PHE 21 1HD PHE 21 6.072 1.057 -5.765
134 HD2 PHE 21 2HD PHE 21 6.543 3.269 -2.153
135 HE1 PHE 21 1HE PHE 21 8.265 0.002 -5.400
136 HE2 PHE 21 2HE PHE 21 8.734 2.216 -1.796
137 HZ PHE 21 HZ PHE 21 9.591 0.586 -3.410
138 H CYS 22 H CYS 22 3.954 -0.526 -4.946
139 HA CYS 22 HA CYS 22 3.581 -1.370 -2.152
140 HB2 CYS 22 2HB CYS 22 2.822 -2.676 -4.745
141 HB3 CYS 22 1HB CYS 22 3.087 -3.653 -3.305
142 H ASP 23 H ASP 23 5.372 -1.962 -1.179
143 HA ASP 23 HA ASP 23 7.725 -2.729 -2.707
144 HB2 ASP 23 2HB ASP 23 7.281 -1.397 -0.245
145 HB3 ASP 23 1HB ASP 23 8.145 -2.886 0.130
146 H SER 24 H SER 24 8.332 -4.742 -3.043
147 HA SER 24 HA SER 24 6.838 -6.948 -1.920
148 HB2 SER 24 2HB SER 24 9.108 -6.907 -3.921
149 HB3 SER 24 1HB SER 24 8.155 -8.328 -3.494
150 HG SER 24 HG SER 24 6.728 -6.082 -4.272
151 H TYR 25 H TYR 25 9.565 -5.272 -0.933
152 HA TYR 25 HA TYR 25 11.176 -7.423 0.053
153 HB2 TYR 25 2HB TYR 25 11.791 -4.916 -0.441
154 HB3 TYR 25 1HB TYR 25 11.273 -4.663 1.220
155 HD1 TYR 25 1HD TYR 25 12.554 -5.584 3.078
156 HD2 TYR 25 2HD TYR 25 13.814 -6.163 -0.944
157 HE1 TYR 25 1HE TYR 25 14.769 -6.291 3.879
158 HE2 TYR 25 2HE TYR 25 16.032 -6.872 -0.154
159 HH TYR 25 HH TYR 25 17.456 -6.593 1.831
160 H THR 26 H THR 26 8.430 -5.685 1.234
161 HA THR 26 HA THR 26 8.405 -7.319 3.668
162 HB THR 26 HB THR 26 7.515 -5.311 4.940
163 HG1 THR 26 1HG THR 26 7.351 -4.115 2.781
164 HG21 THR 26 3HG2 THR 26 9.744 -4.400 5.422
165 HG22 THR 26 1HG2 THR 26 10.375 -5.180 3.970
166 HG23 THR 26 2HG2 THR 26 9.777 -6.160 5.310
167 H LYS 27 H LYS 27 6.886 -6.484 0.909
168 HA LYS 27 HA LYS 27 4.797 -6.611 0.040
169 HB2 LYS 27 2HB LYS 27 4.430 -8.361 2.473
170 HB3 LYS 27 1HB LYS 27 3.153 -8.126 1.289
171 HG2 LYS 27 2HG LYS 27 4.624 -9.024 -0.459
172 HG3 LYS 27 1HG LYS 27 5.879 -9.290 0.753
173 HD2 LYS 27 2HD LYS 27 4.403 -10.822 1.954
174 HD3 LYS 27 1HD LYS 27 3.134 -10.544 0.759
175 HE2 LYS 27 2HE LYS 27 4.587 -11.463 -0.987
176 HE3 LYS 27 1HE LYS 27 5.844 -11.752 0.215
177 HZ1 LYS 27 3HZ LYS 27 3.146 -12.995 0.203
178 HZ2 LYS 27 1HZ LYS 27 4.355 -13.277 1.353
179 HZ3 LYS 27 2HZ LYS 27 4.585 -13.758 -0.252
180 H THR 28 H THR 28 5.249 -4.247 1.214
181 HA THR 28 HA THR 28 2.593 -3.477 2.202
182 HB THR 28 HB THR 28 3.719 -1.883 3.841
183 HG1 THR 28 1HG THR 28 5.809 -2.597 4.551
184 HG21 THR 28 3HG2 THR 28 3.904 -3.582 5.604
185 HG22 THR 28 1HG2 THR 28 3.922 -4.850 4.377
186 HG23 THR 28 2HG2 THR 28 2.484 -3.852 4.592
187 H CYS 29 H CYS 29 2.135 -1.211 2.029
188 HA CYS 29 HA CYS 29 3.210 -0.084 -0.392
189 HB2 CYS 29 2HB CYS 29 0.959 0.602 1.454
190 HB3 CYS 29 1HB CYS 29 1.515 1.782 0.277
191 H LYS 30 H LYS 30 4.582 1.540 -0.634
192 HA LYS 30 HA LYS 30 5.404 3.101 1.726
193 HB2 LYS 30 2HB LYS 30 7.187 1.736 -0.293
194 HB3 LYS 30 1HB LYS 30 7.763 3.001 0.780
195 HG2 LYS 30 2HG LYS 30 6.916 1.507 2.682
196 HG3 LYS 30 1HG LYS 30 6.832 0.236 1.459
197 HD2 LYS 30 2HD LYS 30 9.203 0.544 0.966
198 HD3 LYS 30 1HD LYS 30 9.294 1.830 2.171
199 HE2 LYS 30 2HE LYS 30 8.679 0.231 3.918
200 HE3 LYS 30 1HE LYS 30 8.586 -1.053 2.714
201 HZ1 LYS 30 3HZ LYS 30 10.941 -0.737 2.256
202 HZ2 LYS 30 1HZ LYS 30 10.690 -1.102 3.889
203 HZ3 LYS 30 2HZ LYS 30 11.026 0.488 3.420
204 H ASP 31 H ASP 31 6.681 5.081 1.092
205 HA ASP 31 HA ASP 31 5.346 6.430 -1.115
206 HB2 ASP 31 2HB ASP 31 7.133 7.416 1.113
207 HB3 ASP 31 1HB ASP 31 6.557 8.459 -0.183
208 H LYS 32 H LYS 32 6.342 7.235 -2.924
209 HA LYS 32 HA LYS 32 8.970 6.139 -3.550
210 HB2 LYS 32 2HB LYS 32 6.726 7.294 -5.158
211 HB3 LYS 32 1HB LYS 32 8.342 7.250 -5.848
212 HG2 LYS 32 2HG LYS 32 8.417 4.829 -5.514
213 HG3 LYS 32 1HG LYS 32 6.788 4.878 -4.838
214 HD2 LYS 32 2HD LYS 32 5.874 5.619 -6.925
215 HD3 LYS 32 1HD LYS 32 7.484 5.835 -7.611
216 HE2 LYS 32 2HE LYS 32 6.463 3.170 -6.660
217 HE3 LYS 32 1HE LYS 32 6.223 3.747 -8.308
218 HZ1 LYS 32 3HZ LYS 32 8.622 3.905 -8.563
219 HZ2 LYS 32 1HZ LYS 32 8.169 2.329 -8.143
220 HZ3 LYS 32 2HZ LYS 32 8.852 3.351 -6.981
221 H SER 33 H SER 33 10.703 7.371 -4.334
222 HA SER 33 HA SER 33 10.746 10.132 -3.353
223 HB2 SER 33 2HB SER 33 12.472 8.498 -2.544
224 HB3 SER 33 1HB SER 33 13.091 8.411 -4.193
225 HG SER 33 HG SER 33 14.183 9.942 -2.793
226 H SER 34 H SER 34 11.506 8.204 -6.236
227 HA SER 34 HA SER 34 11.599 10.692 -7.817
228 HB2 SER 34 2HB SER 34 12.952 8.041 -8.380
229 HB3 SER 34 1HB SER 34 13.003 9.454 -9.434
230 HG SER 34 HG SER 34 14.770 9.766 -8.278
231 H ALA 35 H ALA 35 10.463 10.803 -9.732
232 HA ALA 35 HA ALA 35 8.503 8.650 -10.190
233 HB1 ALA 35 1HB ALA 35 8.172 11.599 -10.734
234 HB2 ALA 35 2HB ALA 35 7.480 10.721 -9.371
235 HB3 ALA 35 3HB ALA 35 6.962 10.346 -11.014
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -15.075 1.883 -3.883
2 H2 GLY 1 2HT GLY 1 -15.247 2.829 -2.491
3 H3 GLY 1 3HT GLY 1 -14.183 1.514 -2.493
4 HA2 GLY 1 1HA GLY 1 -12.797 2.602 -4.152
5 HA3 GLY 1 2HA GLY 1 -13.898 3.972 -4.133
6 H TRP 2 H TRP 2 -12.061 1.976 -1.823
7 HA TRP 2 HA TRP 2 -11.593 4.337 -0.159
8 HB2 TRP 2 2HB TRP 2 -11.193 1.382 0.325
9 HB3 TRP 2 1HB TRP 2 -10.606 2.613 1.439
10 HD1 TRP 2 HD TRP 2 -12.431 3.959 2.859
11 HE1 TRP 2 1HE TRP 2 -14.880 3.438 3.448
12 HE3 TRP 2 3HE TRP 2 -13.348 0.290 -0.597
13 HZ2 TRP 2 2HZ TRP 2 -16.927 1.709 2.571
14 HZ3 TRP 2 3HZ TRP 2 -15.580 -0.742 -0.650
15 HH2 TRP 2 HH TRP 2 -17.331 -0.047 0.903
16 H CYS 3 H CYS 3 -9.516 4.954 0.527
17 HA CYS 3 HA CYS 3 -7.349 4.150 -1.296
18 HB2 CYS 3 2HB CYS 3 -8.318 6.695 -0.644
19 HB3 CYS 3 1HB CYS 3 -6.807 6.548 0.242
20 H GLY 4 H GLY 4 -5.504 3.310 -0.496
21 HA2 GLY 4 2HA GLY 4 -5.445 2.666 2.349
22 HA3 GLY 4 1HA GLY 4 -4.421 1.971 1.103
23 H ASP 5 H ASP 5 -4.001 3.354 3.803
24 HA ASP 5 HA ASP 5 -2.276 5.590 3.061
25 HB2 ASP 5 2HB ASP 5 -3.290 4.511 5.686
26 HB3 ASP 5 1HB ASP 5 -2.008 5.715 5.623
27 HA HYP 6 HA HYP 6 1.647 3.466 3.162
28 HB2 HYP 6 2HB HYP 6 3.081 5.117 4.924
29 HB3 HYP 6 1HB HYP 6 2.947 5.341 3.170
30 HG HYP 6 2HG HYP 6 1.471 6.706 5.364
31 HD22 HYP 6 1HD HYP 6 0.210 6.444 2.650
32 HD23 HYP 6 2HD HYP 6 -0.560 6.716 4.227
33 HD1 HYP 6 1HG HYP 6 2.012 7.450 2.648
34 H GLY 7 H GLY 7 2.363 1.737 4.215
35 HA2 GLY 7 2HA GLY 7 3.208 0.618 6.159
36 HA3 GLY 7 1HA GLY 7 2.159 1.620 7.149
37 H ALA 8 H ALA 8 0.508 0.590 4.432
38 HA ALA 8 HA ALA 8 -0.930 -1.451 5.966
39 HB1 ALA 8 1HB ALA 8 -1.706 -0.032 3.417
40 HB2 ALA 8 2HB ALA 8 -2.240 0.400 5.041
41 HB3 ALA 8 3HB ALA 8 -2.721 -1.143 4.337
42 H THR 9 H THR 9 -1.510 -3.466 5.005
43 HA THR 9 HA THR 9 0.587 -4.649 3.438
44 HB THR 9 HB THR 9 -1.969 -6.123 3.921
45 HG1 THR 9 1HG THR 9 -1.083 -4.769 5.868
46 HG21 THR 9 3HG2 THR 9 -0.421 -7.961 4.429
47 HG22 THR 9 1HG2 THR 9 0.946 -6.864 4.234
48 HG23 THR 9 2HG2 THR 9 -0.077 -7.254 2.850
49 H CYS 10 H CYS 10 0.711 -4.712 1.305
50 HA CYS 10 HA CYS 10 -1.660 -4.109 -0.310
51 HB2 CYS 10 2HB CYS 10 0.398 -2.751 -0.639
52 HB3 CYS 10 1HB CYS 10 1.248 -4.207 -1.146
53 H GLY 11 H GLY 11 -2.663 -5.598 -1.475
54 HA2 GLY 11 2HA GLY 11 -1.401 -8.249 -1.761
55 HA3 GLY 11 1HA GLY 11 -3.134 -7.956 -1.724
56 H LYS 12 H LYS 12 -4.051 -8.285 -3.622
57 HA LYS 12 HA LYS 12 -2.666 -7.360 -6.048
58 HB2 LYS 12 2HB LYS 12 -4.047 -10.003 -5.602
59 HB3 LYS 12 1HB LYS 12 -3.781 -9.354 -7.213
60 HG2 LYS 12 2HG LYS 12 -1.365 -9.321 -6.790
61 HG3 LYS 12 1HG LYS 12 -1.647 -10.004 -5.187
62 HD2 LYS 12 2HD LYS 12 -2.634 -11.994 -6.204
63 HD3 LYS 12 1HD LYS 12 -2.378 -11.307 -7.810
64 HE2 LYS 12 2HE LYS 12 0.039 -11.291 -7.411
65 HE3 LYS 12 1HE LYS 12 -0.223 -11.984 -5.810
66 HZ1 LYS 12 3HZ LYS 12 -0.921 -13.278 -8.392
67 HZ2 LYS 12 1HZ LYS 12 -1.179 -13.943 -6.858
68 HZ3 LYS 12 2HZ LYS 12 0.397 -13.678 -7.411
69 H LEU 13 H LEU 13 -5.836 -8.473 -4.808
70 HA LEU 13 HA LEU 13 -7.101 -6.171 -6.086
71 HB2 LEU 13 2HB LEU 13 -7.959 -9.033 -6.542
72 HB3 LEU 13 1HB LEU 13 -8.962 -7.649 -6.923
73 HG LEU 13 HG LEU 13 -6.233 -7.805 -8.129
74 HD11 LEU 13 1HD1 LEU 13 -7.125 -9.110 -10.001
75 HD12 LEU 13 2HD1 LEU 13 -8.635 -9.336 -9.118
76 HD13 LEU 13 3HD1 LEU 13 -7.137 -10.031 -8.496
77 HD21 LEU 13 3HD2 LEU 13 -7.363 -6.669 -9.979
78 HD22 LEU 13 1HD2 LEU 13 -7.594 -5.803 -8.459
79 HD23 LEU 13 2HD2 LEU 13 -8.898 -6.790 -9.119
80 H ARG 14 H ARG 14 -7.104 -5.523 -3.832
81 HA ARG 14 HA ARG 14 -9.548 -6.382 -2.489
82 HB2 ARG 14 2HB ARG 14 -6.811 -6.449 -1.215
83 HB3 ARG 14 1HB ARG 14 -8.280 -6.318 -0.258
84 HG2 ARG 14 2HG ARG 14 -9.068 -8.442 -1.141
85 HG3 ARG 14 1HG ARG 14 -7.628 -8.568 -2.152
86 HD2 ARG 14 2HD ARG 14 -6.229 -8.587 -0.135
87 HD3 ARG 14 1HD ARG 14 -7.678 -8.486 0.864
88 HE ARG 14 HE ARG 14 -8.030 -10.697 -0.740
89 HH11 ARG 14 2HH1 ARG 14 -5.675 -9.717 1.674
90 HH12 ARG 14 1HH1 ARG 14 -5.323 -11.342 2.156
91 HH21 ARG 14 1HH2 ARG 14 -7.552 -12.816 -0.093
92 HH22 ARG 14 2HH2 ARG 14 -6.385 -13.095 1.156
93 H LEU 15 H LEU 15 -6.722 -4.237 -2.030
94 HA LEU 15 HA LEU 15 -8.433 -1.892 -2.073
95 HB2 LEU 15 2HB LEU 15 -8.561 -2.394 0.266
96 HB3 LEU 15 1HB LEU 15 -6.847 -2.720 0.362
97 HG LEU 15 HG LEU 15 -6.337 -0.342 0.166
98 HD11 LEU 15 1HD1 LEU 15 -8.170 0.344 -1.304
99 HD12 LEU 15 2HD1 LEU 15 -8.073 1.360 0.135
100 HD13 LEU 15 3HD1 LEU 15 -9.314 0.111 0.018
101 HD21 LEU 15 3HD2 LEU 15 -7.115 0.368 2.286
102 HD22 LEU 15 1HD2 LEU 15 -6.933 -1.384 2.374
103 HD23 LEU 15 2HD2 LEU 15 -8.538 -0.669 2.189
104 H TYR 16 H TYR 16 -7.438 -0.148 -2.892
105 HA TYR 16 HA TYR 16 -4.642 -0.447 -3.716
106 HB2 TYR 16 2HB TYR 16 -6.647 0.145 -5.298
107 HB3 TYR 16 1HB TYR 16 -6.445 1.768 -4.646
108 HD1 TYR 16 1HD TYR 16 -4.945 -0.847 -6.732
109 HD2 TYR 16 2HD TYR 16 -4.486 3.094 -5.195
110 HE1 TYR 16 1HE TYR 16 -3.156 -0.425 -8.365
111 HE2 TYR 16 2HE TYR 16 -2.695 3.527 -6.824
112 HH TYR 16 HH TYR 16 -2.083 1.493 -9.468
113 H CYS 17 H CYS 17 -3.080 1.062 -3.240
114 HA CYS 17 HA CYS 17 -3.608 2.733 -0.914
115 HB2 CYS 17 2HB CYS 17 -1.057 1.862 -2.267
116 HB3 CYS 17 1HB CYS 17 -1.091 3.002 -0.925
117 H CYS 18 H CYS 18 -3.436 4.906 -0.826
118 HA CYS 18 HA CYS 18 -3.947 6.442 -3.111
119 HB2 CYS 18 2HB CYS 18 -3.728 6.876 -0.282
120 HB3 CYS 18 1HB CYS 18 -2.942 8.190 -1.152
121 H SER 19 H SER 19 -0.926 5.399 -1.820
122 HA SER 19 HA SER 19 0.633 7.507 -3.075
123 HB2 SER 19 2HB SER 19 1.507 5.021 -1.586
124 HB3 SER 19 1HB SER 19 2.581 6.302 -2.146
125 HG SER 19 HG SER 19 0.392 6.806 -0.429
126 H GLY 20 H GLY 20 -0.328 4.207 -3.723
127 HA2 GLY 20 2HA GLY 20 -0.331 3.133 -5.791
128 HA3 GLY 20 1HA GLY 20 0.677 4.416 -6.436
129 H PHE 21 H PHE 21 2.368 3.723 -3.821
130 HA PHE 21 HA PHE 21 4.072 1.815 -5.236
131 HB2 PHE 21 2HB PHE 21 5.143 3.879 -4.486
132 HB3 PHE 21 1HB PHE 21 4.630 3.579 -2.832
133 HD1 PHE 21 2HD PHE 21 5.614 1.625 -1.595
134 HD2 PHE 21 1HD PHE 21 7.164 2.979 -5.320
135 HE1 PHE 21 2HE PHE 21 7.712 0.429 -1.148
136 HE2 PHE 21 1HE PHE 21 9.273 1.784 -4.869
137 HZ PHE 21 HZ PHE 21 9.536 0.510 -2.771
138 H CYS 22 H CYS 22 3.914 -0.243 -4.797
139 HA CYS 22 HA CYS 22 3.203 -1.112 -2.077
140 HB2 CYS 22 2HB CYS 22 2.569 -2.313 -4.763
141 HB3 CYS 22 1HB CYS 22 2.529 -3.286 -3.297
142 H ASP 23 H ASP 23 4.956 -1.753 -1.012
143 HA ASP 23 HA ASP 23 7.308 -2.744 -2.371
144 HB2 ASP 23 2HB ASP 23 6.787 -1.499 0.116
145 HB3 ASP 23 1HB ASP 23 7.460 -3.083 0.481
146 H SER 24 H SER 24 7.653 -4.777 -2.877
147 HA SER 24 HA SER 24 5.968 -6.897 -1.842
148 HB2 SER 24 2HB SER 24 8.155 -6.950 -3.932
149 HB3 SER 24 1HB SER 24 7.077 -8.292 -3.552
150 HG SER 24 HG SER 24 5.363 -6.611 -4.030
151 H TYR 25 H TYR 25 8.886 -5.543 -0.902
152 HA TYR 25 HA TYR 25 10.265 -7.927 -0.063
153 HB2 TYR 25 2HB TYR 25 11.219 -5.548 -0.618
154 HB3 TYR 25 1HB TYR 25 10.840 -5.207 1.065
155 HD1 TYR 25 2HD TYR 25 12.996 -7.101 -1.209
156 HD2 TYR 25 1HD TYR 25 12.084 -6.273 2.863
157 HE1 TYR 25 2HE TYR 25 15.128 -8.121 -0.530
158 HE2 TYR 25 1HE TYR 25 14.212 -7.290 3.554
159 HH TYR 25 HH TYR 25 16.694 -8.030 1.358
160 H THR 26 H THR 26 7.827 -5.888 1.253
161 HA THR 26 HA THR 26 7.806 -7.452 3.733
162 HB THR 26 HB THR 26 7.174 -5.340 4.989
163 HG1 THR 26 1HG THR 26 7.977 -3.385 3.983
164 HG21 THR 26 3HG2 THR 26 9.500 -4.616 5.304
165 HG22 THR 26 1HG2 THR 26 9.967 -5.492 3.846
166 HG23 THR 26 2HG2 THR 26 9.373 -6.374 5.253
167 H LYS 27 H LYS 27 6.189 -6.555 1.045
168 HA LYS 27 HA LYS 27 4.042 -6.533 0.313
169 HB2 LYS 27 2HB LYS 27 3.680 -8.160 2.832
170 HB3 LYS 27 1HB LYS 27 2.362 -7.862 1.709
171 HG2 LYS 27 2HG LYS 27 3.624 -8.960 -0.071
172 HG3 LYS 27 1HG LYS 27 4.955 -9.249 1.052
173 HD2 LYS 27 2HD LYS 27 3.467 -10.609 2.451
174 HD3 LYS 27 1HD LYS 27 2.147 -10.326 1.315
175 HE2 LYS 27 2HE LYS 27 3.434 -11.434 -0.450
176 HE3 LYS 27 1HE LYS 27 4.749 -11.719 0.690
177 HZ1 LYS 27 3HZ LYS 27 3.356 -13.677 0.429
178 HZ2 LYS 27 1HZ LYS 27 1.993 -12.805 0.926
179 HZ3 LYS 27 2HZ LYS 27 3.259 -13.086 2.012
180 H THR 28 H THR 28 4.830 -4.197 1.497
181 HA THR 28 HA THR 28 2.294 -3.176 2.580
182 HB THR 28 HB THR 28 3.637 -1.664 4.120
183 HG1 THR 28 1HG THR 28 5.729 -2.006 4.335
184 HG21 THR 28 3HG2 THR 28 3.659 -4.632 4.684
185 HG22 THR 28 1HG2 THR 28 2.316 -3.528 4.981
186 HG23 THR 28 2HG2 THR 28 3.817 -3.357 5.893
187 H CYS 29 H CYS 29 1.941 -0.942 2.297
188 HA CYS 29 HA CYS 29 3.100 0.078 -0.146
189 HB2 CYS 29 2HB CYS 29 0.835 0.987 1.614
190 HB3 CYS 29 1HB CYS 29 1.392 1.924 0.236
191 H LYS 30 H LYS 30 4.363 1.833 -0.401
192 HA LYS 30 HA LYS 30 5.111 3.422 1.959
193 HB2 LYS 30 2HB LYS 30 7.052 2.030 0.105
194 HB3 LYS 30 1HB LYS 30 7.526 3.295 1.216
195 HG2 LYS 30 2HG LYS 30 6.630 1.848 3.073
196 HG3 LYS 30 1HG LYS 30 6.471 0.561 1.876
197 HD2 LYS 30 2HD LYS 30 8.865 0.704 1.399
198 HD3 LYS 30 1HD LYS 30 9.027 1.998 2.589
199 HE2 LYS 30 2HE LYS 30 8.282 0.464 4.348
200 HE3 LYS 30 1HE LYS 30 8.128 -0.826 3.157
201 HZ1 LYS 30 3HZ LYS 30 10.650 0.569 3.875
202 HZ2 LYS 30 1HZ LYS 30 10.502 -0.673 2.736
203 HZ3 LYS 30 2HZ LYS 30 10.209 -0.985 4.373
204 H ASP 31 H ASP 31 6.733 5.249 1.132
205 HA ASP 31 HA ASP 31 5.324 6.657 -0.987
206 HB2 ASP 31 2HB ASP 31 7.458 7.503 0.977
207 HB3 ASP 31 1HB ASP 31 6.866 8.558 -0.302
208 H LYS 32 H LYS 32 6.256 7.414 -2.881
209 HA LYS 32 HA LYS 32 8.552 5.885 -3.821
210 HB2 LYS 32 2HB LYS 32 6.260 6.366 -5.052
211 HB3 LYS 32 1HB LYS 32 7.082 7.838 -5.547
212 HG2 LYS 32 2HG LYS 32 8.870 6.504 -6.551
213 HG3 LYS 32 1HG LYS 32 8.042 5.027 -6.055
214 HD2 LYS 32 2HD LYS 32 6.115 5.648 -7.436
215 HD3 LYS 32 1HD LYS 32 6.951 7.120 -7.935
216 HE2 LYS 32 2HE LYS 32 8.721 5.767 -8.949
217 HE3 LYS 32 1HE LYS 32 7.887 4.298 -8.446
218 HZ1 LYS 32 3HZ LYS 32 6.822 6.336 -10.328
219 HZ2 LYS 32 1HZ LYS 32 6.017 4.927 -9.844
220 HZ3 LYS 32 2HZ LYS 32 7.436 4.819 -10.758
221 H SER 33 H SER 33 7.599 9.264 -3.334
222 HA SER 33 HA SER 33 10.268 10.183 -4.114
223 HB2 SER 33 2HB SER 33 7.758 11.750 -3.466
224 HB3 SER 33 1HB SER 33 9.286 12.450 -4.000
225 HG SER 33 HG SER 33 8.641 12.070 -5.950
226 H SER 34 H SER 34 11.754 10.802 -2.692
227 HA SER 34 HA SER 34 10.954 11.283 0.101
228 HB2 SER 34 2HB SER 34 12.012 9.025 -0.221
229 HB3 SER 34 1HB SER 34 13.478 9.847 -0.752
230 HG SER 34 HG SER 34 13.895 9.742 1.325
231 H ALA 35 H ALA 35 12.126 12.825 1.236
232 HA ALA 35 HA ALA 35 13.658 14.681 -0.439
233 HB1 ALA 35 1HB ALA 35 13.178 16.359 1.262
234 HB2 ALA 35 2HB ALA 35 12.383 15.140 2.256
235 HB3 ALA 35 3HB ALA 35 11.692 15.594 0.699
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -13.103 6.098 -5.687
2 H2 GLY 1 2HT GLY 1 -13.568 4.733 -6.570
3 H3 GLY 1 3HT GLY 1 -11.970 4.892 -6.040
4 HA2 GLY 1 1HA GLY 1 -14.352 4.564 -4.299
5 HA3 GLY 1 2HA GLY 1 -13.177 3.311 -4.667
6 H TRP 2 H TRP 2 -12.744 3.069 -2.440
7 HA TRP 2 HA TRP 2 -11.462 5.313 -1.065
8 HB2 TRP 2 2HB TRP 2 -12.381 2.602 -0.092
9 HB3 TRP 2 1HB TRP 2 -11.500 3.745 0.915
10 HD1 TRP 2 HD TRP 2 -14.909 3.241 -0.761
11 HE1 TRP 2 1HE TRP 2 -16.616 4.816 0.345
12 HE3 TRP 2 3HE TRP 2 -11.730 5.950 2.206
13 HZ2 TRP 2 2HZ TRP 2 -16.621 6.921 2.221
14 HZ3 TRP 2 3HZ TRP 2 -12.674 7.725 3.624
15 HH2 TRP 2 HH TRP 2 -15.068 8.200 3.629
16 H CYS 3 H CYS 3 -9.359 5.316 -0.399
17 HA CYS 3 HA CYS 3 -7.670 3.087 -1.325
18 HB2 CYS 3 2HB CYS 3 -5.875 4.717 -1.721
19 HB3 CYS 3 1HB CYS 3 -7.299 5.083 -2.686
20 H GLY 4 H GLY 4 -5.827 2.564 -0.068
21 HA2 GLY 4 2HA GLY 4 -6.262 2.942 2.780
22 HA3 GLY 4 1HA GLY 4 -5.111 1.847 2.036
23 H ASP 5 H ASP 5 -4.547 3.446 4.259
24 HA ASP 5 HA ASP 5 -2.988 5.734 3.382
25 HB2 ASP 5 2HB ASP 5 -3.596 4.521 6.078
26 HB3 ASP 5 1HB ASP 5 -2.445 5.837 5.890
27 HA HYP 6 HA HYP 6 1.081 3.890 3.042
28 HB2 HYP 6 2HB HYP 6 2.085 5.681 5.206
29 HB3 HYP 6 1HB HYP 6 2.695 5.454 3.555
30 HG HYP 6 2HG HYP 6 1.364 7.657 4.187
31 HD22 HYP 6 1HD HYP 6 -1.052 6.862 3.228
32 HD23 HYP 6 2HD HYP 6 -0.673 6.865 4.962
33 HD1 HYP 6 1HG HYP 6 0.277 6.655 1.865
34 H GLY 7 H GLY 7 1.653 1.975 3.763
35 HA2 GLY 7 2HA GLY 7 2.733 0.651 5.496
36 HA3 GLY 7 1HA GLY 7 1.714 1.467 6.673
37 H ALA 8 H ALA 8 0.065 0.703 3.817
38 HA ALA 8 HA ALA 8 -1.409 -1.433 5.155
39 HB1 ALA 8 1HB ALA 8 -3.095 -1.089 3.426
40 HB2 ALA 8 2HB ALA 8 -2.033 0.053 2.604
41 HB3 ALA 8 3HB ALA 8 -2.673 0.439 4.201
42 H THR 9 H THR 9 -1.921 -3.414 4.094
43 HA THR 9 HA THR 9 0.287 -4.578 2.684
44 HB THR 9 HB THR 9 -2.329 -6.014 2.873
45 HG1 THR 9 1HG THR 9 -2.410 -5.465 4.936
46 HG21 THR 9 3HG2 THR 9 0.529 -6.827 3.433
47 HG22 THR 9 1HG2 THR 9 -0.369 -7.156 1.951
48 HG23 THR 9 2HG2 THR 9 -0.871 -7.899 3.468
49 H CYS 10 H CYS 10 0.604 -4.692 0.567
50 HA CYS 10 HA CYS 10 -1.542 -3.904 -1.264
51 HB2 CYS 10 2HB CYS 10 1.438 -4.206 -1.691
52 HB3 CYS 10 1HB CYS 10 0.298 -3.732 -2.945
53 H GLY 11 H GLY 11 -2.357 -5.197 -2.837
54 HA2 GLY 11 2HA GLY 11 -1.178 -7.602 -3.759
55 HA3 GLY 11 1HA GLY 11 -2.377 -7.966 -2.526
56 H LYS 12 H LYS 12 -3.660 -9.070 -4.032
57 HA LYS 12 HA LYS 12 -4.886 -7.457 -6.159
58 HB2 LYS 12 2HB LYS 12 -4.721 -10.434 -5.713
59 HB3 LYS 12 1HB LYS 12 -5.803 -9.723 -6.901
60 HG2 LYS 12 2HG LYS 12 -3.895 -8.731 -8.055
61 HG3 LYS 12 1HG LYS 12 -2.805 -9.426 -6.856
62 HD2 LYS 12 2HD LYS 12 -3.525 -11.675 -7.511
63 HD3 LYS 12 1HD LYS 12 -4.611 -10.974 -8.713
64 HE2 LYS 12 2HE LYS 12 -2.692 -9.987 -9.865
65 HE3 LYS 12 1HE LYS 12 -1.608 -10.685 -8.662
66 HZ1 LYS 12 3HZ LYS 12 -2.314 -12.888 -9.359
67 HZ2 LYS 12 1HZ LYS 12 -1.687 -12.024 -10.671
68 HZ3 LYS 12 2HZ LYS 12 -3.359 -12.220 -10.508
69 H LEU 13 H LEU 13 -5.687 -9.485 -3.370
70 HA LEU 13 HA LEU 13 -8.520 -8.809 -3.590
71 HB2 LEU 13 2HB LEU 13 -7.019 -10.672 -1.752
72 HB3 LEU 13 1HB LEU 13 -8.742 -10.375 -1.631
73 HG LEU 13 HG LEU 13 -7.642 -11.327 -4.241
74 HD11 LEU 13 1HD1 LEU 13 -7.870 -13.651 -3.502
75 HD12 LEU 13 2HD1 LEU 13 -8.159 -13.095 -1.854
76 HD13 LEU 13 3HD1 LEU 13 -6.597 -12.806 -2.621
77 HD21 LEU 13 3HD2 LEU 13 -10.212 -11.843 -2.742
78 HD22 LEU 13 1HD2 LEU 13 -9.822 -12.439 -4.355
79 HD23 LEU 13 2HD2 LEU 13 -9.997 -10.706 -4.073
80 H ARG 14 H ARG 14 -5.865 -7.370 -2.307
81 HA ARG 14 HA ARG 14 -7.082 -6.435 0.172
82 HB2 ARG 14 2HB ARG 14 -4.357 -6.060 -1.073
83 HB3 ARG 14 1HB ARG 14 -4.860 -5.166 0.354
84 HG2 ARG 14 2HG ARG 14 -5.013 -8.155 0.325
85 HG3 ARG 14 1HG ARG 14 -3.475 -7.345 0.620
86 HD2 ARG 14 2HD ARG 14 -4.419 -7.784 2.747
87 HD3 ARG 14 1HD ARG 14 -4.639 -6.060 2.458
88 HE ARG 14 HE ARG 14 -6.920 -7.507 1.607
89 HH11 ARG 14 1HH1 ARG 14 -5.352 -6.400 4.549
90 HH12 ARG 14 2HH1 ARG 14 -6.829 -6.351 5.452
91 HH21 ARG 14 1HH2 ARG 14 -8.839 -7.430 2.808
92 HH22 ARG 14 2HH2 ARG 14 -8.801 -6.934 4.466
93 H LEU 15 H LEU 15 -6.669 -3.968 0.602
94 HA LEU 15 HA LEU 15 -8.301 -2.500 -1.223
95 HB2 LEU 15 2HB LEU 15 -7.859 -2.296 1.401
96 HB3 LEU 15 1HB LEU 15 -6.682 -1.117 0.865
97 HG LEU 15 HG LEU 15 -9.529 -0.906 -0.066
98 HD11 LEU 15 1HD1 LEU 15 -8.448 0.150 2.544
99 HD12 LEU 15 2HD1 LEU 15 -9.636 -1.144 2.368
100 HD13 LEU 15 3HD1 LEU 15 -10.037 0.496 1.857
101 HD21 LEU 15 3HD2 LEU 15 -8.993 1.470 -0.149
102 HD22 LEU 15 1HD2 LEU 15 -7.831 0.537 -1.091
103 HD23 LEU 15 2HD2 LEU 15 -7.388 1.143 0.503
104 H TYR 16 H TYR 16 -7.758 -0.619 -2.415
105 HA TYR 16 HA TYR 16 -5.262 -0.742 -3.793
106 HB2 TYR 16 2HB TYR 16 -7.610 0.052 -4.621
107 HB3 TYR 16 1HB TYR 16 -7.122 1.609 -3.964
108 HD1 TYR 16 1HD TYR 16 -6.510 -0.879 -6.583
109 HD2 TYR 16 2HD TYR 16 -5.349 2.900 -5.012
110 HE1 TYR 16 1HE TYR 16 -5.297 -0.393 -8.666
111 HE2 TYR 16 2HE TYR 16 -4.132 3.398 -7.091
112 HH TYR 16 HH TYR 16 -4.505 1.566 -9.922
113 H CYS 17 H CYS 17 -3.642 0.866 -3.928
114 HA CYS 17 HA CYS 17 -3.189 2.269 -1.404
115 HB2 CYS 17 2HB CYS 17 -1.488 1.036 -3.453
116 HB3 CYS 17 1HB CYS 17 -0.884 2.574 -2.845
117 H CYS 18 H CYS 18 -2.946 4.413 -1.205
118 HA CYS 18 HA CYS 18 -3.701 6.088 -3.471
119 HB2 CYS 18 2HB CYS 18 -4.182 6.166 -0.677
120 HB3 CYS 18 1HB CYS 18 -3.243 7.599 -1.079
121 H SER 19 H SER 19 -0.861 5.042 -1.997
122 HA SER 19 HA SER 19 0.673 7.469 -2.483
123 HB2 SER 19 2HB SER 19 1.074 6.019 -0.473
124 HB3 SER 19 1HB SER 19 1.674 4.766 -1.560
125 HG SER 19 HG SER 19 2.741 7.382 -1.265
126 H GLY 20 H GLY 20 0.085 4.362 -3.981
127 HA2 GLY 20 2HA GLY 20 0.401 3.958 -6.287
128 HA3 GLY 20 1HA GLY 20 1.595 5.242 -6.328
129 H PHE 21 H PHE 21 3.232 4.369 -4.176
130 HA PHE 21 HA PHE 21 4.591 2.170 -5.523
131 HB2 PHE 21 2HB PHE 21 5.998 4.052 -5.080
132 HB3 PHE 21 1HB PHE 21 5.488 4.127 -3.402
133 HD1 PHE 21 2HD PHE 21 7.019 1.553 -5.677
134 HD2 PHE 21 1HD PHE 21 7.081 3.493 -1.885
135 HE1 PHE 21 2HE PHE 21 8.955 0.186 -5.007
136 HE2 PHE 21 1HE PHE 21 9.016 2.131 -1.219
137 HZ PHE 21 HZ PHE 21 9.953 0.480 -2.777
138 H CYS 22 H CYS 22 4.291 0.184 -4.939
139 HA CYS 22 HA CYS 22 3.684 -0.455 -2.134
140 HB2 CYS 22 2HB CYS 22 2.747 -1.684 -4.704
141 HB3 CYS 22 1HB CYS 22 2.804 -2.656 -3.238
142 H ASP 23 H ASP 23 5.271 -1.400 -1.070
143 HA ASP 23 HA ASP 23 7.548 -2.513 -2.467
144 HB2 ASP 23 2HB ASP 23 7.113 -1.295 0.054
145 HB3 ASP 23 1HB ASP 23 7.691 -2.929 0.370
146 H SER 24 H SER 24 7.756 -4.552 -3.006
147 HA SER 24 HA SER 24 5.902 -6.565 -2.062
148 HB2 SER 24 2HB SER 24 8.144 -6.730 -4.087
149 HB3 SER 24 1HB SER 24 6.968 -8.004 -3.767
150 HG SER 24 HG SER 24 6.629 -5.536 -5.041
151 H TYR 25 H TYR 25 8.926 -5.465 -1.059
152 HA TYR 25 HA TYR 25 10.087 -7.951 -0.216
153 HB2 TYR 25 2HB TYR 25 11.201 -5.605 -0.666
154 HB3 TYR 25 1HB TYR 25 10.823 -5.328 1.030
155 HD1 TYR 25 1HD TYR 25 11.962 -6.578 2.779
156 HD2 TYR 25 2HD TYR 25 12.877 -7.239 -1.323
157 HE1 TYR 25 1HE TYR 25 14.006 -7.778 3.435
158 HE2 TYR 25 2HE TYR 25 14.923 -8.442 -0.679
159 HH TYR 25 HH TYR 25 15.533 -9.462 2.498
160 H THR 26 H THR 26 7.709 -5.838 1.041
161 HA THR 26 HA THR 26 7.557 -7.404 3.519
162 HB THR 26 HB THR 26 6.870 -5.280 4.725
163 HG1 THR 26 1HG THR 26 6.650 -3.635 3.403
164 HG21 THR 26 3HG2 THR 26 9.712 -5.444 3.710
165 HG22 THR 26 1HG2 THR 26 9.053 -6.310 5.099
166 HG23 THR 26 2HG2 THR 26 9.180 -4.552 5.135
167 H LYS 27 H LYS 27 6.071 -6.458 0.751
168 HA LYS 27 HA LYS 27 3.963 -6.437 -0.085
169 HB2 LYS 27 2HB LYS 27 3.474 -8.107 2.386
170 HB3 LYS 27 1HB LYS 27 2.223 -7.803 1.192
171 HG2 LYS 27 2HG LYS 27 4.838 -8.926 0.297
172 HG3 LYS 27 1HG LYS 27 3.670 -9.982 1.093
173 HD2 LYS 27 2HD LYS 27 1.980 -9.353 -0.576
174 HD3 LYS 27 1HD LYS 27 3.164 -8.316 -1.376
175 HE2 LYS 27 2HE LYS 27 4.570 -10.264 -1.822
176 HE3 LYS 27 1HE LYS 27 3.399 -11.301 -1.009
177 HZ1 LYS 27 3HZ LYS 27 3.137 -11.380 -3.407
178 HZ2 LYS 27 1HZ LYS 27 2.884 -9.707 -3.462
179 HZ3 LYS 27 2HZ LYS 27 1.763 -10.707 -2.684
180 H THR 28 H THR 28 4.726 -4.149 1.339
181 HA THR 28 HA THR 28 2.102 -3.150 2.219
182 HB THR 28 HB THR 28 3.318 -1.738 3.954
183 HG1 THR 28 1HG THR 28 5.342 -2.394 4.577
184 HG21 THR 28 3HG2 THR 28 3.310 -3.524 5.642
185 HG22 THR 28 1HG2 THR 28 3.250 -4.732 4.359
186 HG23 THR 28 2HG2 THR 28 1.898 -3.622 4.588
187 H CYS 29 H CYS 29 1.949 -0.769 2.196
188 HA CYS 29 HA CYS 29 3.202 0.286 -0.182
189 HB2 CYS 29 2HB CYS 29 0.756 0.717 1.148
190 HB3 CYS 29 1HB CYS 29 1.621 2.251 1.175
191 H LYS 30 H LYS 30 4.662 1.857 -0.365
192 HA LYS 30 HA LYS 30 5.623 3.223 2.055
193 HB2 LYS 30 2HB LYS 30 7.260 1.606 0.118
194 HB3 LYS 30 1HB LYS 30 7.983 2.888 1.079
195 HG2 LYS 30 2HG LYS 30 6.730 1.534 3.027
196 HG3 LYS 30 1HG LYS 30 7.023 0.217 1.891
197 HD2 LYS 30 2HD LYS 30 9.381 0.666 1.891
198 HD3 LYS 30 1HD LYS 30 9.149 2.124 2.858
199 HE2 LYS 30 2HE LYS 30 8.418 -0.643 3.799
200 HE3 LYS 30 1HE LYS 30 9.969 0.125 4.119
201 HZ1 LYS 30 3HZ LYS 30 7.323 1.165 4.973
202 HZ2 LYS 30 1HZ LYS 30 8.816 1.901 5.283
203 HZ3 LYS 30 2HZ LYS 30 8.451 0.401 5.975
204 H ASP 31 H ASP 31 6.996 5.117 1.562
205 HA ASP 31 HA ASP 31 5.932 6.586 -0.713
206 HB2 ASP 31 2HB ASP 31 7.598 7.416 1.666
207 HB3 ASP 31 1HB ASP 31 7.188 8.517 0.356
208 H LYS 32 H LYS 32 6.989 6.964 -2.544
209 HA LYS 32 HA LYS 32 9.744 6.027 -2.810
210 HB2 LYS 32 2HB LYS 32 7.676 5.532 -4.397
211 HB3 LYS 32 1HB LYS 32 8.165 7.053 -5.130
212 HG2 LYS 32 2HG LYS 32 10.398 6.145 -5.535
213 HG3 LYS 32 1HG LYS 32 9.910 4.619 -4.795
214 HD2 LYS 32 2HD LYS 32 8.198 4.332 -6.522
215 HD3 LYS 32 1HD LYS 32 8.686 5.859 -7.260
216 HE2 LYS 32 2HE LYS 32 10.918 4.941 -7.673
217 HE3 LYS 32 1HE LYS 32 10.427 3.416 -6.936
218 HZ1 LYS 32 3HZ LYS 32 9.242 4.616 -9.381
219 HZ2 LYS 32 1HZ LYS 32 8.767 3.153 -8.675
220 HZ3 LYS 32 2HZ LYS 32 10.312 3.308 -9.343
221 H SER 33 H SER 33 7.800 8.949 -3.371
222 HA SER 33 HA SER 33 10.260 10.499 -3.797
223 HB2 SER 33 2HB SER 33 7.380 11.221 -4.393
224 HB3 SER 33 1HB SER 33 8.777 12.247 -4.722
225 HG SER 33 HG SER 33 9.224 11.089 -6.425
226 H SER 34 H SER 34 10.794 12.210 -2.517
227 HA SER 34 HA SER 34 9.276 12.490 -0.017
228 HB2 SER 34 2HB SER 34 11.397 13.515 0.862
229 HB3 SER 34 1HB SER 34 11.561 11.831 0.365
230 HG SER 34 HG SER 34 12.102 13.828 -1.516
231 H ALA 35 H ALA 35 8.564 14.443 0.711
232 HA ALA 35 HA ALA 35 8.564 16.631 -1.242
233 HB1 ALA 35 1HB ALA 35 6.783 16.205 1.157
234 HB2 ALA 35 2HB ALA 35 6.377 15.804 -0.512
235 HB3 ALA 35 3HB ALA 35 6.622 17.487 -0.045