Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504477 | 2em4 RC | 10179 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 7.245 -11.571 -38.846
2 HA2 GLY 1 1HA GLY 1 6.150 -12.082 -36.240
3 HA3 GLY 1 2HA GLY 1 6.807 -13.277 -37.348
4 H SER 2 H SER 2 7.194 -13.121 -34.492
5 HA SER 2 HA SER 2 10.126 -12.901 -34.470
6 HB2 SER 2 1HB SER 2 10.141 -11.836 -32.341
7 HB3 SER 2 2HB SER 2 8.967 -10.949 -33.313
8 HG SER 2 HG SER 2 7.500 -12.704 -32.244
9 H SER 3 H SER 3 11.046 -14.036 -32.475
10 HA SER 3 HA SER 3 10.444 -16.737 -32.572
11 HB2 SER 3 1HB SER 3 12.524 -15.534 -31.608
12 HB3 SER 3 2HB SER 3 11.612 -15.477 -30.100
13 HG SER 3 HG SER 3 11.540 -17.704 -30.081
14 H GLY 4 H GLY 4 9.266 -18.145 -31.300
15 HA2 GLY 4 1HA GLY 4 6.780 -17.547 -30.446
16 HA3 GLY 4 2HA GLY 4 7.729 -18.828 -29.706
17 H SER 5 H SER 5 5.820 -16.445 -28.870
18 HA SER 5 HA SER 5 7.341 -15.857 -26.425
19 HB2 SER 5 1HB SER 5 5.714 -13.844 -27.998
20 HB3 SER 5 2HB SER 5 6.489 -13.544 -26.442
21 HG SER 5 HG SER 5 7.591 -13.026 -28.625
22 H SER 6 H SER 6 5.694 -14.649 -24.847
23 HA SER 6 HA SER 6 3.113 -16.052 -24.944
24 HB2 SER 6 1HB SER 6 5.183 -16.132 -22.792
25 HB3 SER 6 2HB SER 6 3.484 -16.151 -22.320
26 HG SER 6 HG SER 6 4.462 -18.258 -22.682
27 H GLY 7 H GLY 7 1.641 -15.156 -23.115
28 HA2 GLY 7 1HA GLY 7 2.057 -12.247 -22.856
29 HA3 GLY 7 2HA GLY 7 0.526 -12.883 -23.440
30 H THR 8 H THR 8 2.616 -12.508 -20.670
31 HA THR 8 HA THR 8 1.193 -13.961 -18.766
32 HB THR 8 HB THR 8 2.168 -12.361 -17.090
33 HG1 THR 8 HG1 THR 8 2.739 -11.001 -19.464
34 HG21 THR 8 3HG2 THR 8 3.357 -14.387 -18.070
35 HG22 THR 8 1HG2 THR 8 4.381 -13.151 -17.340
36 HG23 THR 8 2HG2 THR 8 4.231 -13.249 -19.095
37 H GLY 9 H GLY 9 -0.153 -13.114 -16.991
38 HA2 GLY 9 1HA GLY 9 -1.442 -10.766 -16.724
39 HA3 GLY 9 2HA GLY 9 -2.296 -11.492 -18.077
40 H GLN 10 H GLN 10 -1.816 -11.495 -14.668
41 HA GLN 10 HA GLN 10 -3.733 -13.711 -14.382
42 HB2 GLN 10 1HB GLN 10 -1.392 -13.846 -13.314
43 HB3 GLN 10 2HB GLN 10 -1.992 -12.654 -12.169
44 HG2 GLN 10 1HG GLN 10 -2.247 -14.788 -11.176
45 HG3 GLN 10 2HG GLN 10 -3.854 -14.223 -11.629
46 HE21 GLN 10 1HE2 GLN 10 -3.404 -16.867 -11.127
47 HE22 GLN 10 2HE2 GLN 10 -3.521 -17.771 -12.594
48 H ARG 11 H ARG 11 -2.858 -10.524 -13.084
49 HA ARG 11 HA ARG 11 -5.579 -10.280 -11.998
50 HB2 ARG 11 1HB ARG 11 -2.943 -9.101 -11.242
51 HB3 ARG 11 2HB ARG 11 -4.400 -8.174 -10.908
52 HG2 ARG 11 1HG ARG 11 -3.857 -9.410 -8.953
53 HG3 ARG 11 2HG ARG 11 -5.286 -10.152 -9.674
54 HD2 ARG 11 1HD ARG 11 -3.847 -11.855 -10.716
55 HD3 ARG 11 2HD ARG 11 -2.443 -11.125 -9.939
56 HE ARG 11 HE ARG 11 -4.455 -11.819 -8.047
57 HH11 ARG 11 1HH1 ARG 11 -1.885 -13.127 -9.997
58 HH12 ARG 11 2HH1 ARG 11 -1.584 -14.464 -8.936
59 HH21 ARG 11 1HH2 ARG 11 -4.070 -13.575 -6.643
60 HH22 ARG 11 2HH2 ARG 11 -2.828 -14.718 -7.030
61 HA PRO 12 HA PRO 12 -6.715 -7.246 -14.960
62 HB2 PRO 12 1HB PRO 12 -8.339 -5.648 -13.483
63 HB3 PRO 12 2HB PRO 12 -8.806 -7.271 -14.007
64 HG2 PRO 12 1HG PRO 12 -7.751 -6.366 -11.355
65 HG3 PRO 12 2HG PRO 12 -9.073 -7.494 -11.707
66 HD2 PRO 12 1HD PRO 12 -6.594 -8.329 -11.008
67 HD3 PRO 12 2HD PRO 12 -7.636 -9.250 -12.112
68 H TYR 13 H TYR 13 -4.951 -6.405 -12.154
69 HA TYR 13 HA TYR 13 -4.223 -3.828 -13.378
70 HB2 TYR 13 1HB TYR 13 -4.451 -4.357 -10.408
71 HB3 TYR 13 2HB TYR 13 -4.021 -2.829 -11.170
72 HD1 TYR 13 HD2 TYR 13 -5.760 -1.651 -12.580
73 HD2 TYR 13 HD1 TYR 13 -6.705 -4.939 -10.049
74 HE1 TYR 13 HE2 TYR 13 -8.133 -1.008 -12.640
75 HE2 TYR 13 HE1 TYR 13 -9.081 -4.305 -10.103
76 HH TYR 13 HH TYR 13 -10.420 -2.214 -10.511
77 H GLU 14 H GLU 14 -2.268 -4.269 -14.212
78 HA GLU 14 HA GLU 14 -0.242 -5.386 -12.388
79 HB2 GLU 14 1HB GLU 14 -0.779 -6.003 -15.274
80 HB3 GLU 14 2HB GLU 14 0.847 -6.171 -14.626
81 HG2 GLU 14 1HG GLU 14 0.058 -7.763 -12.980
82 HG3 GLU 14 2HG GLU 14 -1.598 -7.556 -13.548
83 H CYS 15 H CYS 15 1.160 -3.853 -11.868
84 HA CYS 15 HA CYS 15 1.468 -1.436 -13.308
85 HB2 CYS 15 1HB CYS 15 1.892 -1.452 -10.943
86 HB3 CYS 15 2HB CYS 15 3.125 -2.697 -11.118
87 H ILE 16 H ILE 16 3.000 -0.756 -14.736
88 HA ILE 16 HA ILE 16 4.737 -2.845 -15.853
89 HB ILE 16 HB ILE 16 3.135 -1.810 -17.417
90 HG12 ILE 16 1HG1 ILE 16 5.885 -0.882 -18.200
91 HG13 ILE 16 2HG1 ILE 16 5.535 -2.597 -18.016
92 HG21 ILE 16 1HG2 ILE 16 3.592 0.504 -16.120
93 HG22 ILE 16 2HG2 ILE 16 4.627 0.728 -17.529
94 HG23 ILE 16 3HG2 ILE 16 2.905 0.411 -17.741
95 HD11 ILE 16 3HD1 ILE 16 4.159 -0.693 -19.896
96 HD12 ILE 16 1HD1 ILE 16 5.346 -1.923 -20.329
97 HD13 ILE 16 2HD1 ILE 16 3.769 -2.401 -19.699
98 H GLU 17 H GLU 17 4.798 -0.001 -14.014
99 HA GLU 17 HA GLU 17 7.229 1.155 -14.813
100 HB2 GLU 17 1HB GLU 17 6.108 1.131 -12.009
101 HB3 GLU 17 2HB GLU 17 7.201 2.318 -12.707
102 HG2 GLU 17 1HG GLU 17 4.407 1.839 -13.704
103 HG3 GLU 17 2HG GLU 17 4.826 3.053 -12.498
104 H CYS 18 H CYS 18 6.510 -1.313 -12.370
105 HA CYS 18 HA CYS 18 9.381 -1.975 -12.323
106 HB2 CYS 18 1HB CYS 18 9.078 -2.690 -9.970
107 HB3 CYS 18 2HB CYS 18 8.766 -0.972 -10.197
108 H GLY 19 H GLY 19 6.088 -3.226 -11.875
109 HA2 GLY 19 1HA GLY 19 5.559 -5.217 -13.265
110 HA3 GLY 19 2HA GLY 19 7.098 -5.872 -12.725
111 H LYS 20 H LYS 20 4.212 -4.431 -11.198
112 HA LYS 20 HA LYS 20 4.181 -6.730 -9.354
113 HB2 LYS 20 1HB LYS 20 4.869 -4.416 -8.418
114 HB3 LYS 20 2HB LYS 20 3.167 -4.005 -8.589
115 HG2 LYS 20 1HG LYS 20 3.426 -4.694 -6.365
116 HG3 LYS 20 2HG LYS 20 2.677 -6.063 -7.192
117 HD2 LYS 20 1HD LYS 20 4.729 -7.251 -7.268
118 HD3 LYS 20 2HD LYS 20 5.651 -5.827 -6.782
119 HE2 LYS 20 1HE LYS 20 3.548 -7.058 -5.022
120 HE3 LYS 20 2HE LYS 20 5.224 -7.606 -5.006
121 HZ1 LYS 20 3HZ LYS 20 4.876 -5.979 -3.289
122 HZ2 LYS 20 1HZ LYS 20 4.268 -4.860 -4.402
123 HZ3 LYS 20 2HZ LYS 20 5.893 -5.323 -4.470
124 H ALA 21 H ALA 21 2.103 -7.386 -8.577
125 HA ALA 21 HA ALA 21 -0.104 -6.584 -10.361
126 HB1 ALA 21 3HB ALA 21 0.352 -9.276 -9.079
127 HB2 ALA 21 1HB ALA 21 -0.997 -8.840 -10.127
128 HB3 ALA 21 2HB ALA 21 0.645 -8.876 -10.771
129 H PHE 22 H PHE 22 -1.930 -5.855 -9.457
130 HA PHE 22 HA PHE 22 -2.243 -6.162 -6.542
131 HB2 PHE 22 1HB PHE 22 -2.952 -3.774 -8.259
132 HB3 PHE 22 2HB PHE 22 -3.354 -3.936 -6.552
133 HD1 PHE 22 HD1 PHE 22 -1.638 -3.776 -4.848
134 HD2 PHE 22 HD2 PHE 22 -0.696 -3.328 -8.975
135 HE1 PHE 22 HE1 PHE 22 0.541 -2.807 -4.242
136 HE2 PHE 22 HE2 PHE 22 1.485 -2.359 -8.376
137 HZ PHE 22 HZ PHE 22 2.106 -2.098 -6.007
138 H LYS 23 H LYS 23 -4.463 -6.084 -5.760
139 HA LYS 23 HA LYS 23 -6.199 -7.657 -7.433
140 HB2 LYS 23 1HB LYS 23 -6.028 -8.132 -5.042
141 HB3 LYS 23 2HB LYS 23 -6.610 -6.517 -4.662
142 HG2 LYS 23 1HG LYS 23 -8.523 -7.736 -4.395
143 HG3 LYS 23 2HG LYS 23 -8.678 -7.257 -6.087
144 HD2 LYS 23 1HD LYS 23 -7.970 -9.385 -6.848
145 HD3 LYS 23 2HD LYS 23 -7.417 -9.856 -5.239
146 HE2 LYS 23 1HE LYS 23 -9.582 -10.168 -4.453
147 HE3 LYS 23 2HE LYS 23 -10.291 -9.166 -5.719
148 HZ1 LYS 23 3HZ LYS 23 -9.444 -11.967 -5.821
149 HZ2 LYS 23 1HZ LYS 23 -9.306 -11.045 -7.233
150 HZ3 LYS 23 2HZ LYS 23 -10.813 -11.228 -6.487
151 H THR 24 H THR 24 -6.364 -4.439 -5.929
152 HA THR 24 HA THR 24 -8.518 -3.763 -7.825
153 HB THR 24 HB THR 24 -9.130 -1.959 -6.157
154 HG1 THR 24 HG1 THR 24 -7.802 -3.504 -4.214
155 HG21 THR 24 3HG2 THR 24 -10.393 -4.072 -6.400
156 HG22 THR 24 1HG2 THR 24 -10.418 -3.456 -4.749
157 HG23 THR 24 2HG2 THR 24 -9.363 -4.805 -5.172
158 H LYS 25 H LYS 25 -8.590 -1.490 -8.505
159 HA LYS 25 HA LYS 25 -6.091 -0.621 -9.490
160 HB2 LYS 25 1HB LYS 25 -8.542 -0.183 -10.334
161 HB3 LYS 25 2HB LYS 25 -8.431 1.235 -9.300
162 HG2 LYS 25 1HG LYS 25 -6.240 1.716 -10.563
163 HG3 LYS 25 2HG LYS 25 -6.853 0.564 -11.751
164 HD2 LYS 25 1HD LYS 25 -8.657 2.743 -10.822
165 HD3 LYS 25 2HD LYS 25 -7.360 3.148 -11.949
166 HE2 LYS 25 1HE LYS 25 -8.271 1.921 -13.649
167 HE3 LYS 25 2HE LYS 25 -9.050 0.780 -12.555
168 HZ1 LYS 25 3HZ LYS 25 -10.548 2.365 -13.802
169 HZ2 LYS 25 1HZ LYS 25 -9.950 3.588 -12.798
170 HZ3 LYS 25 2HZ LYS 25 -10.782 2.277 -12.129
171 H SER 26 H SER 26 -8.212 0.710 -6.962
172 HA SER 26 HA SER 26 -6.990 2.959 -6.183
173 HB2 SER 26 1HB SER 26 -7.742 2.575 -3.935
174 HB3 SER 26 2HB SER 26 -8.915 1.823 -5.016
175 HG SER 26 HG SER 26 -8.396 0.405 -3.342
176 H SER 27 H SER 27 -5.775 -0.294 -5.560
177 HA SER 27 HA SER 27 -3.541 0.599 -4.003
178 HB2 SER 27 1HB SER 27 -4.029 -2.072 -5.345
179 HB3 SER 27 2HB SER 27 -2.791 -1.740 -4.133
180 HG SER 27 HG SER 27 -4.280 -1.674 -2.599
181 H LEU 28 H LEU 28 -4.010 -0.479 -7.344
182 HA LEU 28 HA LEU 28 -1.323 -0.418 -8.139
183 HB2 LEU 28 1HB LEU 28 -2.811 -1.515 -9.570
184 HB3 LEU 28 2HB LEU 28 -3.918 -0.144 -9.613
185 HG LEU 28 HG LEU 28 -2.062 1.083 -10.878
186 HD11 LEU 28 1HD1 LEU 28 -0.163 -0.226 -10.568
187 HD12 LEU 28 2HD1 LEU 28 -0.667 -0.610 -12.214
188 HD13 LEU 28 3HD1 LEU 28 -1.026 -1.729 -10.899
189 HD21 LEU 28 3HD2 LEU 28 -4.083 -0.759 -11.725
190 HD22 LEU 28 1HD2 LEU 28 -2.719 -0.822 -12.841
191 HD23 LEU 28 2HD2 LEU 28 -3.518 0.716 -12.512
192 H ILE 29 H ILE 29 -3.765 2.106 -7.970
193 HA ILE 29 HA ILE 29 -2.264 4.080 -9.362
194 HB ILE 29 HB ILE 29 -4.505 4.448 -7.370
195 HG12 ILE 29 1HG1 ILE 29 -4.656 4.503 -10.385
196 HG13 ILE 29 2HG1 ILE 29 -4.984 3.056 -9.439
197 HG21 ILE 29 1HG2 ILE 29 -3.670 6.389 -9.501
198 HG22 ILE 29 2HG2 ILE 29 -4.709 6.663 -8.104
199 HG23 ILE 29 3HG2 ILE 29 -2.976 6.428 -7.881
200 HD11 ILE 29 3HD1 ILE 29 -6.666 4.620 -8.194
201 HD12 ILE 29 1HD1 ILE 29 -6.562 5.563 -9.680
202 HD13 ILE 29 2HD1 ILE 29 -7.092 3.882 -9.738
203 H CYS 30 H CYS 30 -2.990 3.701 -5.888
204 HA CYS 30 HA CYS 30 -1.364 5.740 -4.942
205 HB2 CYS 30 1HB CYS 30 -1.715 4.872 -2.822
206 HB3 CYS 30 2HB CYS 30 -3.065 4.179 -3.712
207 HG CYS 30 HG CYS 30 -2.340 2.087 -2.206
208 H HIS 31 H HIS 31 -0.482 2.750 -6.331
209 HA HIS 31 HA HIS 31 2.174 2.741 -5.133
210 HB2 HIS 31 1HB HIS 31 1.391 0.556 -5.316
211 HB3 HIS 31 2HB HIS 31 0.643 0.848 -6.884
212 HD1 HIS 31 HD1 HIS 31 4.003 0.204 -5.308
213 HD2 HIS 31 HD2 HIS 31 2.247 0.338 -9.071
214 HE1 HIS 31 HE1 HIS 31 5.728 -0.720 -6.888
215 H ARG 32 H ARG 32 0.854 2.679 -8.450
216 HA ARG 32 HA ARG 32 3.126 3.122 -9.888
217 HB2 ARG 32 1HB ARG 32 0.315 4.101 -10.311
218 HB3 ARG 32 2HB ARG 32 1.589 4.472 -11.465
219 HG2 ARG 32 1HG ARG 32 1.986 1.888 -11.402
220 HG3 ARG 32 2HG ARG 32 0.322 1.859 -10.813
221 HD2 ARG 32 1HD ARG 32 1.144 3.324 -13.308
222 HD3 ARG 32 2HD ARG 32 0.641 1.634 -13.318
223 HE ARG 32 HE ARG 32 -1.383 2.906 -12.027
224 HH11 ARG 32 1HH1 ARG 32 0.203 3.358 -15.094
225 HH12 ARG 32 2HH1 ARG 32 -1.204 3.998 -15.875
226 HH21 ARG 32 1HH2 ARG 32 -3.243 3.748 -13.045
227 HH22 ARG 32 2HH2 ARG 32 -3.163 4.220 -14.709
228 H ARG 33 H ARG 33 0.985 5.712 -8.685
229 HA ARG 33 HA ARG 33 2.409 7.911 -9.458
230 HB2 ARG 33 1HB ARG 33 1.216 9.140 -7.878
231 HB3 ARG 33 2HB ARG 33 0.188 7.737 -8.144
232 HG2 ARG 33 1HG ARG 33 1.026 6.711 -6.108
233 HG3 ARG 33 2HG ARG 33 2.110 8.080 -5.851
234 HD2 ARG 33 1HD ARG 33 -0.792 8.629 -6.194
235 HD3 ARG 33 2HD ARG 33 -0.255 7.924 -4.670
236 HE ARG 33 HE ARG 33 1.368 10.134 -5.331
237 HH11 ARG 33 1HH1 ARG 33 -1.837 9.349 -4.222
238 HH12 ARG 33 2HH1 ARG 33 -2.051 10.845 -3.374
239 HH21 ARG 33 1HH2 ARG 33 1.099 12.107 -4.218
240 HH22 ARG 33 2HH2 ARG 33 -0.381 12.413 -3.373
241 H SER 34 H SER 34 2.966 5.909 -6.594
242 HA SER 34 HA SER 34 4.859 7.376 -5.261
243 HB2 SER 34 1HB SER 34 3.875 5.107 -4.623
244 HB3 SER 34 2HB SER 34 5.123 4.393 -5.644
245 HG SER 34 HG SER 34 5.711 6.214 -3.559
246 H HIS 35 H HIS 35 5.487 5.013 -7.852
247 HA HIS 35 HA HIS 35 8.163 5.030 -8.084
248 HB2 HIS 35 1HB HIS 35 6.070 5.164 -10.241
249 HB3 HIS 35 2HB HIS 35 7.781 5.036 -10.639
250 HD1 HIS 35 HD1 HIS 35 8.853 2.940 -8.883
251 HD2 HIS 35 HD2 HIS 35 5.006 2.698 -10.433
252 HE1 HIS 35 HE1 HIS 35 8.248 0.501 -8.801
253 H THR 36 H THR 36 6.074 7.537 -9.513
254 HA THR 36 HA THR 36 8.273 9.154 -10.352
255 HB THR 36 HB THR 36 6.526 10.902 -10.754
256 HG1 THR 36 HG1 THR 36 4.946 10.475 -9.290
257 HG21 THR 36 3HG2 THR 36 6.847 8.364 -12.029
258 HG22 THR 36 1HG2 THR 36 6.427 9.917 -12.749
259 HG23 THR 36 2HG2 THR 36 5.157 8.855 -12.141
260 H GLY 37 H GLY 37 9.208 10.897 -9.387
261 HA2 GLY 37 1HA GLY 37 8.210 12.461 -7.334
262 HA3 GLY 37 2HA GLY 37 9.028 11.114 -6.555
263 H GLU 38 H GLU 38 11.104 11.396 -6.099
264 HA GLU 38 HA GLU 38 12.479 13.740 -7.036
265 HB2 GLU 38 1HB GLU 38 12.625 12.588 -4.709
266 HB3 GLU 38 2HB GLU 38 13.785 11.524 -5.490
267 HG2 GLU 38 1HG GLU 38 14.092 14.496 -5.622
268 HG3 GLU 38 2HG GLU 38 14.650 13.581 -4.223
269 H LYS 39 H LYS 39 12.513 13.249 -9.311
270 HA LYS 39 HA LYS 39 14.966 12.178 -10.180
271 HB2 LYS 39 1HB LYS 39 14.383 10.147 -11.206
272 HB3 LYS 39 2HB LYS 39 13.622 10.069 -9.622
273 HG2 LYS 39 1HG LYS 39 11.482 10.505 -10.523
274 HG3 LYS 39 2HG LYS 39 12.158 10.970 -12.086
275 HD2 LYS 39 1HD LYS 39 12.838 8.714 -12.531
276 HD3 LYS 39 2HD LYS 39 12.399 8.209 -10.898
277 HE2 LYS 39 1HE LYS 39 10.559 7.500 -12.069
278 HE3 LYS 39 2HE LYS 39 10.037 9.115 -11.594
279 HZ1 LYS 39 3HZ LYS 39 11.318 8.516 -14.201
280 HZ2 LYS 39 1HZ LYS 39 10.546 9.949 -13.738
281 HZ3 LYS 39 2HZ LYS 39 9.642 8.539 -13.971
282 HA PRO 40 HA PRO 40 13.867 14.775 -13.560
283 HB2 PRO 40 1HB PRO 40 15.709 13.936 -15.369
284 HB3 PRO 40 2HB PRO 40 16.121 14.939 -13.973
285 HG2 PRO 40 1HG PRO 40 16.404 11.980 -14.329
286 HG3 PRO 40 2HG PRO 40 17.541 13.134 -13.609
287 HD2 PRO 40 1HD PRO 40 15.936 11.546 -12.115
288 HD3 PRO 40 2HD PRO 40 16.423 13.172 -11.594
289 H SER 41 H SER 41 12.120 14.533 -14.793
290 HA SER 41 HA SER 41 11.794 12.021 -16.300
291 HB2 SER 41 1HB SER 41 9.860 13.725 -14.807
292 HB3 SER 41 2HB SER 41 9.287 12.944 -16.280
293 HG SER 41 HG SER 41 8.950 11.398 -14.837
294 H GLY 42 H GLY 42 10.160 12.428 -18.211
295 HA2 GLY 42 1HA GLY 42 11.170 14.791 -19.669
296 HA3 GLY 42 2HA GLY 42 10.793 13.253 -20.431
297 HA PRO 43 HA PRO 43 7.157 15.995 -21.110
298 HB2 PRO 43 1HB PRO 43 6.716 15.141 -23.649
299 HB3 PRO 43 2HB PRO 43 7.858 16.431 -23.254
300 HG2 PRO 43 1HG PRO 43 8.387 13.537 -23.810
301 HG3 PRO 43 2HG PRO 43 9.273 14.965 -24.375
302 HD2 PRO 43 1HD PRO 43 10.131 13.442 -22.308
303 HD3 PRO 43 2HD PRO 43 10.425 15.190 -22.391
304 H SER 44 H SER 44 5.474 15.159 -20.034
305 HA SER 44 HA SER 44 4.750 12.374 -20.276
306 HB2 SER 44 1HB SER 44 4.623 13.775 -18.137
307 HB3 SER 44 2HB SER 44 3.173 14.501 -18.829
308 HG SER 44 HG SER 44 3.620 11.800 -18.122
309 H SER 45 H SER 45 3.126 11.520 -21.438
310 HA SER 45 HA SER 45 1.210 13.331 -22.730
311 HB2 SER 45 1HB SER 45 1.435 11.949 -24.827
312 HB3 SER 45 2HB SER 45 2.849 12.928 -24.439
313 HG SER 45 HG SER 45 3.956 11.158 -24.362
314 H GLY 46 H GLY 46 -0.837 12.652 -22.600
315 HA2 GLY 46 1HA GLY 46 -1.802 10.076 -22.867
316 HA3 GLY 46 2HA GLY 46 -1.472 10.281 -21.153
Start of MODEL 2
1 H1 GLY 1 H GLY 1 16.243 -14.924 -12.646
2 HA2 GLY 1 1HA GLY 1 14.527 -15.133 -14.819
3 HA3 GLY 1 2HA GLY 1 15.979 -16.026 -15.249
4 H SER 2 H SER 2 15.035 -18.040 -15.257
5 HA SER 2 HA SER 2 14.331 -20.029 -14.407
6 HB2 SER 2 1HB SER 2 16.241 -19.640 -12.843
7 HB3 SER 2 2HB SER 2 15.115 -18.880 -11.719
8 HG SER 2 HG SER 2 14.549 -21.448 -12.691
9 H SER 3 H SER 3 12.349 -18.209 -14.905
10 HA SER 3 HA SER 3 10.505 -18.506 -12.629
11 HB2 SER 3 1HB SER 3 11.035 -16.172 -13.531
12 HB3 SER 3 2HB SER 3 10.118 -16.634 -14.964
13 HG SER 3 HG SER 3 9.240 -16.158 -12.357
14 H GLY 4 H GLY 4 8.349 -19.178 -13.024
15 HA2 GLY 4 1HA GLY 4 7.366 -19.932 -15.560
16 HA3 GLY 4 2HA GLY 4 8.076 -21.337 -14.779
17 H SER 5 H SER 5 7.351 -21.480 -12.346
18 HA SER 5 HA SER 5 4.652 -22.133 -12.321
19 HB2 SER 5 1HB SER 5 4.887 -22.306 -9.867
20 HB3 SER 5 2HB SER 5 6.247 -23.052 -10.706
21 HG SER 5 HG SER 5 6.191 -20.882 -9.029
22 H SER 6 H SER 6 2.809 -21.152 -11.529
23 HA SER 6 HA SER 6 2.901 -18.497 -10.407
24 HB2 SER 6 1HB SER 6 1.530 -17.457 -12.178
25 HB3 SER 6 2HB SER 6 3.100 -17.975 -12.792
26 HG SER 6 HG SER 6 1.647 -18.706 -14.255
27 H GLY 7 H GLY 7 0.586 -17.648 -10.107
28 HA2 GLY 7 1HA GLY 7 -1.680 -19.231 -10.243
29 HA3 GLY 7 2HA GLY 7 -0.893 -19.652 -8.729
30 H THR 8 H THR 8 0.091 -17.199 -7.930
31 HA THR 8 HA THR 8 -2.393 -15.866 -7.176
32 HB THR 8 HB THR 8 -0.798 -16.489 -5.396
33 HG1 THR 8 HG1 THR 8 -1.492 -13.802 -5.882
34 HG21 THR 8 3HG2 THR 8 1.124 -14.438 -5.625
35 HG22 THR 8 1HG2 THR 8 1.085 -15.269 -7.179
36 HG23 THR 8 2HG2 THR 8 1.387 -16.180 -5.700
37 H GLY 9 H GLY 9 -1.376 -15.512 -9.863
38 HA2 GLY 9 1HA GLY 9 -0.870 -12.602 -9.767
39 HA3 GLY 9 2HA GLY 9 -0.050 -13.647 -10.918
40 H GLN 10 H GLN 10 -0.816 -12.866 -12.812
41 HA GLN 10 HA GLN 10 -2.279 -12.306 -14.472
42 HB2 GLN 10 1HB GLN 10 -3.910 -14.527 -13.231
43 HB3 GLN 10 2HB GLN 10 -4.057 -13.924 -14.876
44 HG2 GLN 10 1HG GLN 10 -2.050 -14.878 -15.542
45 HG3 GLN 10 2HG GLN 10 -1.465 -15.037 -13.887
46 HE21 GLN 10 1HE2 GLN 10 -1.295 -17.156 -15.559
47 HE22 GLN 10 2HE2 GLN 10 -2.424 -18.379 -15.098
48 H ARG 11 H ARG 11 -2.515 -10.590 -12.349
49 HA ARG 11 HA ARG 11 -5.304 -10.316 -11.630
50 HB2 ARG 11 1HB ARG 11 -2.848 -8.667 -11.041
51 HB3 ARG 11 2HB ARG 11 -4.461 -8.185 -10.532
52 HG2 ARG 11 1HG ARG 11 -3.022 -10.705 -9.729
53 HG3 ARG 11 2HG ARG 11 -3.281 -9.278 -8.723
54 HD2 ARG 11 1HD ARG 11 -5.740 -9.629 -9.003
55 HD3 ARG 11 2HD ARG 11 -5.374 -11.152 -9.813
56 HE ARG 11 HE ARG 11 -5.197 -10.595 -6.985
57 HH11 ARG 11 1HH1 ARG 11 -4.238 -12.687 -9.597
58 HH12 ARG 11 2HH1 ARG 11 -3.899 -14.037 -8.565
59 HH21 ARG 11 1HH2 ARG 11 -4.754 -12.365 -5.615
60 HH22 ARG 11 2HH2 ARG 11 -4.194 -13.853 -6.300
61 HA PRO 12 HA PRO 12 -6.552 -7.660 -14.898
62 HB2 PRO 12 1HB PRO 12 -8.422 -6.156 -13.629
63 HB3 PRO 12 2HB PRO 12 -8.684 -7.849 -14.062
64 HG2 PRO 12 1HG PRO 12 -7.896 -6.668 -11.426
65 HG3 PRO 12 2HG PRO 12 -9.069 -7.952 -11.771
66 HD2 PRO 12 1HD PRO 12 -6.564 -8.467 -10.879
67 HD3 PRO 12 2HD PRO 12 -7.434 -9.565 -11.971
68 H TYR 13 H TYR 13 -4.934 -6.514 -12.156
69 HA TYR 13 HA TYR 13 -4.420 -3.953 -13.498
70 HB2 TYR 13 1HB TYR 13 -4.762 -4.204 -10.508
71 HB3 TYR 13 2HB TYR 13 -4.564 -2.726 -11.443
72 HD1 TYR 13 HD2 TYR 13 -6.425 -2.317 -13.268
73 HD2 TYR 13 HD1 TYR 13 -6.893 -4.841 -9.875
74 HE1 TYR 13 HE2 TYR 13 -8.868 -2.103 -13.453
75 HE2 TYR 13 HE1 TYR 13 -9.337 -4.635 -10.052
76 HH TYR 13 HH TYR 13 -10.949 -3.891 -12.488
77 H GLU 14 H GLU 14 -2.380 -4.347 -14.163
78 HA GLU 14 HA GLU 14 -0.417 -5.090 -12.094
79 HB2 GLU 14 1HB GLU 14 -0.681 -5.980 -14.940
80 HB3 GLU 14 2HB GLU 14 0.914 -5.904 -14.205
81 HG2 GLU 14 1HG GLU 14 0.213 -7.437 -12.464
82 HG3 GLU 14 2HG GLU 14 -1.417 -7.478 -13.133
83 H CYS 15 H CYS 15 1.590 -4.053 -12.137
84 HA CYS 15 HA CYS 15 1.530 -1.427 -13.392
85 HB2 CYS 15 1HB CYS 15 2.146 -1.348 -11.106
86 HB3 CYS 15 2HB CYS 15 3.277 -2.686 -11.284
87 H ILE 16 H ILE 16 3.247 -0.602 -14.660
88 HA ILE 16 HA ILE 16 4.665 -2.688 -16.165
89 HB ILE 16 HB ILE 16 4.049 0.172 -16.912
90 HG12 ILE 16 1HG1 ILE 16 2.046 -0.947 -17.222
91 HG13 ILE 16 2HG1 ILE 16 2.810 -1.187 -18.789
92 HG21 ILE 16 1HG2 ILE 16 6.023 -0.178 -18.034
93 HG22 ILE 16 2HG2 ILE 16 5.751 -1.913 -18.193
94 HG23 ILE 16 3HG2 ILE 16 4.856 -0.784 -19.210
95 HD11 ILE 16 3HD1 ILE 16 3.620 -3.401 -17.938
96 HD12 ILE 16 1HD1 ILE 16 2.589 -3.151 -16.529
97 HD13 ILE 16 2HD1 ILE 16 1.873 -3.256 -18.138
98 H GLU 17 H GLU 17 5.137 0.347 -14.437
99 HA GLU 17 HA GLU 17 7.726 0.984 -15.000
100 HB2 GLU 17 1HB GLU 17 6.168 1.122 -12.439
101 HB3 GLU 17 2HB GLU 17 7.847 1.639 -12.487
102 HG2 GLU 17 1HG GLU 17 5.536 2.772 -14.037
103 HG3 GLU 17 2HG GLU 17 6.478 3.559 -12.773
104 H CYS 18 H CYS 18 6.911 -0.950 -12.118
105 HA CYS 18 HA CYS 18 9.560 -2.184 -12.264
106 HB2 CYS 18 1HB CYS 18 9.039 -2.999 -9.969
107 HB3 CYS 18 2HB CYS 18 8.987 -1.245 -10.111
108 H GLY 19 H GLY 19 6.129 -3.069 -12.056
109 HA2 GLY 19 1HA GLY 19 5.309 -4.889 -13.429
110 HA3 GLY 19 2HA GLY 19 6.851 -5.696 -13.186
111 H LYS 20 H LYS 20 3.850 -4.735 -11.610
112 HA LYS 20 HA LYS 20 4.115 -7.060 -9.847
113 HB2 LYS 20 1HB LYS 20 4.724 -4.700 -8.808
114 HB3 LYS 20 2HB LYS 20 2.975 -4.555 -8.692
115 HG2 LYS 20 1HG LYS 20 2.802 -6.186 -7.108
116 HG3 LYS 20 2HG LYS 20 4.244 -7.037 -7.668
117 HD2 LYS 20 1HD LYS 20 5.023 -6.136 -5.707
118 HD3 LYS 20 2HD LYS 20 5.458 -4.856 -6.843
119 HE2 LYS 20 1HE LYS 20 4.459 -3.727 -5.056
120 HE3 LYS 20 2HE LYS 20 3.185 -3.831 -6.270
121 HZ1 LYS 20 3HZ LYS 20 2.080 -5.473 -5.080
122 HZ2 LYS 20 1HZ LYS 20 2.602 -4.411 -3.871
123 HZ3 LYS 20 2HZ LYS 20 3.432 -5.860 -4.139
124 H ALA 21 H ALA 21 1.926 -7.279 -8.563
125 HA ALA 21 HA ALA 21 -0.309 -6.679 -10.382
126 HB1 ALA 21 3HB ALA 21 -1.217 -8.968 -9.703
127 HB2 ALA 21 1HB ALA 21 0.113 -8.931 -10.861
128 HB3 ALA 21 2HB ALA 21 0.426 -9.325 -9.170
129 H PHE 22 H PHE 22 -2.027 -5.805 -9.416
130 HA PHE 22 HA PHE 22 -2.200 -5.978 -6.479
131 HB2 PHE 22 1HB PHE 22 -3.066 -3.701 -8.273
132 HB3 PHE 22 2HB PHE 22 -3.265 -3.755 -6.525
133 HD1 PHE 22 HD2 PHE 22 -0.647 -3.924 -9.163
134 HD2 PHE 22 HD1 PHE 22 -1.627 -2.869 -5.158
135 HE1 PHE 22 HE2 PHE 22 1.583 -2.923 -8.885
136 HE2 PHE 22 HE1 PHE 22 0.601 -1.865 -4.873
137 HZ PHE 22 HZ PHE 22 2.210 -1.892 -6.738
138 H LYS 23 H LYS 23 -4.269 -6.126 -5.538
139 HA LYS 23 HA LYS 23 -6.124 -7.693 -7.027
140 HB2 LYS 23 1HB LYS 23 -7.488 -7.627 -4.970
141 HB3 LYS 23 2HB LYS 23 -5.818 -8.077 -4.649
142 HG2 LYS 23 1HG LYS 23 -5.463 -5.592 -4.113
143 HG3 LYS 23 2HG LYS 23 -7.224 -5.508 -4.028
144 HD2 LYS 23 1HD LYS 23 -7.284 -7.130 -2.271
145 HD3 LYS 23 2HD LYS 23 -5.563 -7.475 -2.459
146 HE2 LYS 23 1HE LYS 23 -5.777 -6.080 -0.553
147 HE3 LYS 23 2HE LYS 23 -5.127 -5.074 -1.846
148 HZ1 LYS 23 3HZ LYS 23 -8.021 -5.119 -1.603
149 HZ2 LYS 23 1HZ LYS 23 -6.980 -3.824 -1.925
150 HZ3 LYS 23 2HZ LYS 23 -7.192 -4.365 -0.336
151 H THR 24 H THR 24 -6.120 -4.365 -5.821
152 HA THR 24 HA THR 24 -8.469 -3.833 -7.522
153 HB THR 24 HB THR 24 -9.036 -1.977 -5.981
154 HG1 THR 24 HG1 THR 24 -6.679 -2.127 -5.119
155 HG21 THR 24 3HG2 THR 24 -10.374 -3.398 -4.901
156 HG22 THR 24 1HG2 THR 24 -9.018 -4.086 -4.009
157 HG23 THR 24 2HG2 THR 24 -9.437 -4.717 -5.601
158 H LYS 25 H LYS 25 -8.509 -1.907 -8.701
159 HA LYS 25 HA LYS 25 -6.079 -1.041 -9.776
160 HB2 LYS 25 1HB LYS 25 -8.169 -0.819 -10.994
161 HB3 LYS 25 2HB LYS 25 -8.787 0.305 -9.790
162 HG2 LYS 25 1HG LYS 25 -6.252 0.999 -11.170
163 HG3 LYS 25 2HG LYS 25 -7.761 1.131 -12.075
164 HD2 LYS 25 1HD LYS 25 -7.195 2.438 -9.414
165 HD3 LYS 25 2HD LYS 25 -7.146 3.247 -10.983
166 HE2 LYS 25 1HE LYS 25 -9.576 2.365 -11.221
167 HE3 LYS 25 2HE LYS 25 -9.499 2.183 -9.469
168 HZ1 LYS 25 3HZ LYS 25 -8.730 4.599 -9.484
169 HZ2 LYS 25 1HZ LYS 25 -10.366 4.300 -9.793
170 HZ3 LYS 25 2HZ LYS 25 -9.316 4.658 -11.070
171 H SER 26 H SER 26 -8.286 0.737 -7.606
172 HA SER 26 HA SER 26 -6.949 3.040 -7.187
173 HB2 SER 26 1HB SER 26 -8.192 1.357 -4.998
174 HB3 SER 26 2HB SER 26 -7.865 3.087 -4.904
175 HG SER 26 HG SER 26 -9.380 2.194 -7.062
176 H SER 27 H SER 27 -6.338 0.084 -5.285
177 HA SER 27 HA SER 27 -4.244 0.955 -3.743
178 HB2 SER 27 1HB SER 27 -5.366 -1.310 -3.658
179 HB3 SER 27 2HB SER 27 -4.341 -1.788 -5.011
180 HG SER 27 HG SER 27 -2.788 -2.096 -3.644
181 H LEU 28 H LEU 28 -3.977 -0.588 -6.945
182 HA LEU 28 HA LEU 28 -1.223 -0.438 -7.230
183 HB2 LEU 28 1HB LEU 28 -2.316 -1.719 -8.823
184 HB3 LEU 28 2HB LEU 28 -3.497 -0.457 -9.169
185 HG LEU 28 HG LEU 28 -1.539 0.831 -10.205
186 HD11 LEU 28 1HD1 LEU 28 -0.278 -1.827 -10.631
187 HD12 LEU 28 2HD1 LEU 28 0.058 -0.964 -9.131
188 HD13 LEU 28 3HD1 LEU 28 0.434 -0.215 -10.683
189 HD21 LEU 28 3HD2 LEU 28 -3.270 -1.200 -11.218
190 HD22 LEU 28 1HD2 LEU 28 -1.729 -1.275 -12.072
191 HD23 LEU 28 2HD2 LEU 28 -2.643 0.233 -12.034
192 H ILE 29 H ILE 29 -3.693 1.975 -7.993
193 HA ILE 29 HA ILE 29 -2.202 3.860 -9.328
194 HB ILE 29 HB ILE 29 -4.261 4.514 -7.220
195 HG12 ILE 29 1HG1 ILE 29 -5.443 3.041 -8.564
196 HG13 ILE 29 2HG1 ILE 29 -5.742 4.569 -9.385
197 HG21 ILE 29 1HG2 ILE 29 -4.648 6.345 -9.102
198 HG22 ILE 29 2HG2 ILE 29 -3.470 6.564 -7.809
199 HG23 ILE 29 3HG2 ILE 29 -2.940 6.026 -9.403
200 HD11 ILE 29 3HD1 ILE 29 -4.071 4.062 -11.033
201 HD12 ILE 29 1HD1 ILE 29 -3.614 2.594 -10.170
202 HD13 ILE 29 2HD1 ILE 29 -5.207 2.718 -10.917
203 H CYS 30 H CYS 30 -2.685 3.692 -5.798
204 HA CYS 30 HA CYS 30 -1.029 5.804 -5.088
205 HB2 CYS 30 1HB CYS 30 -1.945 3.324 -3.683
206 HB3 CYS 30 2HB CYS 30 -0.720 4.334 -2.925
207 HG CYS 30 HG CYS 30 -2.284 6.577 -2.696
208 H HIS 31 H HIS 31 -0.219 2.663 -6.240
209 HA HIS 31 HA HIS 31 2.525 2.807 -5.289
210 HB2 HIS 31 1HB HIS 31 1.840 0.603 -5.211
211 HB3 HIS 31 2HB HIS 31 0.859 0.745 -6.667
212 HD1 HIS 31 HD1 HIS 31 4.333 0.037 -5.508
213 HD2 HIS 31 HD2 HIS 31 2.230 0.319 -9.080
214 HE1 HIS 31 HE1 HIS 31 5.852 -0.935 -7.261
215 H ARG 32 H ARG 32 0.686 3.305 -8.214
216 HA ARG 32 HA ARG 32 2.886 3.331 -10.011
217 HB2 ARG 32 1HB ARG 32 0.036 4.231 -10.129
218 HB3 ARG 32 2HB ARG 32 1.150 4.759 -11.383
219 HG2 ARG 32 1HG ARG 32 1.702 2.365 -11.801
220 HG3 ARG 32 2HG ARG 32 0.419 1.931 -10.670
221 HD2 ARG 32 1HD ARG 32 -0.326 1.856 -13.016
222 HD3 ARG 32 2HD ARG 32 -1.226 3.031 -12.059
223 HE ARG 32 HE ARG 32 1.026 4.136 -13.475
224 HH11 ARG 32 1HH1 ARG 32 -2.359 3.337 -13.620
225 HH12 ARG 32 2HH1 ARG 32 -2.710 4.484 -14.871
226 HH21 ARG 32 1HH2 ARG 32 0.577 5.650 -15.121
227 HH22 ARG 32 2HH2 ARG 32 -1.039 5.798 -15.724
228 H ARG 33 H ARG 33 1.095 5.893 -8.327
229 HA ARG 33 HA ARG 33 2.766 7.977 -9.392
230 HB2 ARG 33 1HB ARG 33 1.325 9.455 -8.389
231 HB3 ARG 33 2HB ARG 33 0.274 8.052 -8.523
232 HG2 ARG 33 1HG ARG 33 0.851 7.457 -6.187
233 HG3 ARG 33 2HG ARG 33 1.772 8.959 -6.076
234 HD2 ARG 33 1HD ARG 33 -1.049 9.103 -7.002
235 HD3 ARG 33 2HD ARG 33 -0.751 8.803 -5.290
236 HE ARG 33 HE ARG 33 0.050 10.955 -5.071
237 HH11 ARG 33 1HH1 ARG 33 -0.429 10.189 -8.433
238 HH12 ARG 33 2HH1 ARG 33 -0.230 11.825 -8.969
239 HH21 ARG 33 1HH2 ARG 33 0.313 13.112 -5.764
240 HH22 ARG 33 2HH2 ARG 33 0.193 13.486 -7.450
241 H SER 34 H SER 34 2.765 5.932 -6.596
242 HA SER 34 HA SER 34 4.378 7.508 -4.897
243 HB2 SER 34 1HB SER 34 3.241 5.726 -3.855
244 HB3 SER 34 2HB SER 34 3.801 4.555 -5.049
245 HG SER 34 HG SER 34 5.230 4.160 -3.540
246 H HIS 35 H HIS 35 5.095 5.472 -7.612
247 HA HIS 35 HA HIS 35 7.717 4.764 -7.230
248 HB2 HIS 35 1HB HIS 35 6.114 5.472 -9.645
249 HB3 HIS 35 2HB HIS 35 7.857 5.291 -9.829
250 HD1 HIS 35 HD1 HIS 35 8.477 2.874 -8.175
251 HD2 HIS 35 HD2 HIS 35 5.068 3.147 -10.534
252 HE1 HIS 35 HE1 HIS 35 7.776 0.500 -8.620
253 H THR 36 H THR 36 6.934 7.559 -9.281
254 HA THR 36 HA THR 36 9.490 8.749 -8.800
255 HB THR 36 HB THR 36 8.261 9.007 -10.949
256 HG1 THR 36 HG1 THR 36 8.580 11.598 -9.893
257 HG21 THR 36 3HG2 THR 36 6.454 10.660 -11.086
258 HG22 THR 36 1HG2 THR 36 6.487 10.843 -9.333
259 HG23 THR 36 2HG2 THR 36 6.007 9.305 -10.051
260 H GLY 37 H GLY 37 10.056 10.352 -7.428
261 HA2 GLY 37 1HA GLY 37 8.436 12.301 -6.313
262 HA3 GLY 37 2HA GLY 37 8.367 10.932 -5.213
263 H GLU 38 H GLU 38 10.293 10.241 -4.165
264 HA GLU 38 HA GLU 38 12.364 12.335 -4.073
265 HB2 GLU 38 1HB GLU 38 11.407 10.482 -1.885
266 HB3 GLU 38 2HB GLU 38 12.774 11.577 -1.735
267 HG2 GLU 38 1HG GLU 38 10.078 12.618 -2.490
268 HG3 GLU 38 2HG GLU 38 10.475 12.284 -0.805
269 H LYS 39 H LYS 39 13.559 11.309 -5.747
270 HA LYS 39 HA LYS 39 15.492 9.457 -4.799
271 HB2 LYS 39 1HB LYS 39 14.991 7.653 -6.468
272 HB3 LYS 39 2HB LYS 39 13.825 7.780 -5.158
273 HG2 LYS 39 1HG LYS 39 12.407 7.566 -6.921
274 HG3 LYS 39 2HG LYS 39 12.568 9.324 -6.885
275 HD2 LYS 39 1HD LYS 39 12.853 8.748 -9.141
276 HD3 LYS 39 2HD LYS 39 14.492 9.004 -8.537
277 HE2 LYS 39 1HE LYS 39 14.997 6.752 -8.570
278 HE3 LYS 39 2HE LYS 39 13.306 6.265 -8.460
279 HZ1 LYS 39 3HZ LYS 39 14.101 5.812 -10.651
280 HZ2 LYS 39 1HZ LYS 39 14.679 7.391 -10.838
281 HZ3 LYS 39 2HZ LYS 39 13.015 7.105 -10.750
282 HA PRO 40 HA PRO 40 17.807 11.337 -8.023
283 HB2 PRO 40 1HB PRO 40 19.677 9.426 -8.496
284 HB3 PRO 40 2HB PRO 40 19.676 10.430 -7.041
285 HG2 PRO 40 1HG PRO 40 18.675 7.634 -7.412
286 HG3 PRO 40 2HG PRO 40 19.618 8.316 -6.074
287 HD2 PRO 40 1HD PRO 40 16.943 7.926 -5.922
288 HD3 PRO 40 2HD PRO 40 17.763 9.258 -5.082
289 H SER 41 H SER 41 17.466 11.577 -10.139
290 HA SER 41 HA SER 41 16.073 9.542 -11.623
291 HB2 SER 41 1HB SER 41 17.088 12.283 -12.404
292 HB3 SER 41 2HB SER 41 16.169 11.232 -13.481
293 HG SER 41 HG SER 41 14.955 12.854 -12.218
294 H GLY 42 H GLY 42 16.780 8.641 -13.635
295 HA2 GLY 42 1HA GLY 42 18.984 8.790 -15.079
296 HA3 GLY 42 2HA GLY 42 19.649 8.080 -13.615
297 HA PRO 43 HA PRO 43 16.565 4.810 -15.412
298 HB2 PRO 43 1HB PRO 43 15.575 5.314 -17.889
299 HB3 PRO 43 2HB PRO 43 14.767 5.837 -16.407
300 HG2 PRO 43 1HG PRO 43 16.519 7.401 -18.262
301 HG3 PRO 43 2HG PRO 43 14.999 7.884 -17.486
302 HD2 PRO 43 1HD PRO 43 17.421 8.653 -16.551
303 HD3 PRO 43 2HD PRO 43 16.031 8.371 -15.483
304 H SER 44 H SER 44 18.166 3.361 -15.729
305 HA SER 44 HA SER 44 19.812 3.582 -18.150
306 HB2 SER 44 1HB SER 44 21.005 3.403 -15.983
307 HB3 SER 44 2HB SER 44 20.234 1.841 -15.708
308 HG SER 44 HG SER 44 22.079 1.258 -16.640
309 H SER 45 H SER 45 18.196 1.053 -16.221
310 HA SER 45 HA SER 45 18.315 -0.922 -18.228
311 HB2 SER 45 1HB SER 45 17.910 -1.317 -15.768
312 HB3 SER 45 2HB SER 45 16.259 -0.750 -16.016
313 HG SER 45 HG SER 45 17.265 -2.778 -17.669
314 H GLY 46 H GLY 46 16.536 -1.846 -19.441
315 HA2 GLY 46 1HA GLY 46 14.707 -1.736 -20.831
316 HA3 GLY 46 2HA GLY 46 14.069 -0.480 -19.780
Start of MODEL 3
1 H1 GLY 1 H GLY 1 12.175 -15.942 -8.887
2 HA2 GLY 1 1HA GLY 1 11.859 -18.467 -10.139
3 HA3 GLY 1 2HA GLY 1 12.174 -18.683 -8.424
4 H SER 2 H SER 2 9.756 -18.934 -10.363
5 HA SER 2 HA SER 2 7.809 -18.107 -8.397
6 HB2 SER 2 1HB SER 2 8.108 -16.048 -9.737
7 HB3 SER 2 2HB SER 2 7.689 -16.950 -11.193
8 HG SER 2 HG SER 2 5.711 -17.475 -9.738
9 H SER 3 H SER 3 5.818 -19.146 -8.624
10 HA SER 3 HA SER 3 5.758 -21.256 -10.681
11 HB2 SER 3 1HB SER 3 4.912 -21.298 -7.790
12 HB3 SER 3 2HB SER 3 4.288 -22.473 -8.947
13 HG SER 3 HG SER 3 6.418 -22.795 -7.639
14 H GLY 4 H GLY 4 4.378 -20.592 -12.210
15 HA2 GLY 4 1HA GLY 4 1.953 -19.146 -11.443
16 HA3 GLY 4 2HA GLY 4 2.575 -19.336 -13.076
17 H SER 5 H SER 5 1.748 -21.679 -10.524
18 HA SER 5 HA SER 5 0.403 -23.337 -12.480
19 HB2 SER 5 1HB SER 5 0.118 -24.914 -10.584
20 HB3 SER 5 2HB SER 5 1.798 -24.423 -10.802
21 HG SER 5 HG SER 5 0.233 -22.908 -9.065
22 H SER 6 H SER 6 -0.871 -20.897 -12.223
23 HA SER 6 HA SER 6 -2.893 -19.917 -11.845
24 HB2 SER 6 1HB SER 6 -3.424 -22.206 -13.047
25 HB3 SER 6 2HB SER 6 -4.153 -22.609 -11.493
26 HG SER 6 HG SER 6 -5.123 -20.321 -11.895
27 H GLY 7 H GLY 7 -1.344 -20.070 -9.571
28 HA2 GLY 7 1HA GLY 7 -2.980 -21.095 -7.399
29 HA3 GLY 7 2HA GLY 7 -1.410 -20.319 -7.249
30 H THR 8 H THR 8 -1.339 -17.965 -7.544
31 HA THR 8 HA THR 8 -3.478 -16.722 -6.083
32 HB THR 8 HB THR 8 -1.263 -15.973 -5.577
33 HG1 THR 8 HG1 THR 8 -1.863 -13.935 -5.487
34 HG21 THR 8 3HG2 THR 8 -0.820 -16.275 -8.341
35 HG22 THR 8 1HG2 THR 8 0.350 -15.815 -7.106
36 HG23 THR 8 2HG2 THR 8 -0.548 -14.571 -7.976
37 H GLY 9 H GLY 9 -2.910 -17.338 -9.345
38 HA2 GLY 9 1HA GLY 9 -4.064 -16.726 -11.236
39 HA3 GLY 9 2HA GLY 9 -5.240 -15.958 -10.180
40 H GLN 10 H GLN 10 -4.430 -14.931 -12.682
41 HA GLN 10 HA GLN 10 -2.519 -12.825 -12.244
42 HB2 GLN 10 1HB GLN 10 -3.113 -12.119 -14.527
43 HB3 GLN 10 2HB GLN 10 -2.712 -13.829 -14.449
44 HG2 GLN 10 1HG GLN 10 -5.151 -14.324 -14.369
45 HG3 GLN 10 2HG GLN 10 -5.454 -12.610 -14.646
46 HE21 GLN 10 1HE2 GLN 10 -4.310 -15.583 -16.022
47 HE22 GLN 10 2HE2 GLN 10 -4.303 -15.058 -17.668
48 H ARG 11 H ARG 11 -3.004 -10.551 -12.458
49 HA ARG 11 HA ARG 11 -5.699 -9.886 -11.468
50 HB2 ARG 11 1HB ARG 11 -2.992 -8.811 -10.770
51 HB3 ARG 11 2HB ARG 11 -4.405 -7.779 -10.602
52 HG2 ARG 11 1HG ARG 11 -3.894 -8.825 -8.494
53 HG3 ARG 11 2HG ARG 11 -5.424 -9.449 -9.113
54 HD2 ARG 11 1HD ARG 11 -4.360 -11.470 -9.860
55 HD3 ARG 11 2HD ARG 11 -2.767 -10.832 -9.452
56 HE ARG 11 HE ARG 11 -3.162 -11.317 -7.231
57 HH11 ARG 11 1HH1 ARG 11 -6.075 -11.743 -9.089
58 HH12 ARG 11 2HH1 ARG 11 -6.927 -12.546 -7.812
59 HH21 ARG 11 1HH2 ARG 11 -4.274 -12.372 -5.542
60 HH22 ARG 11 2HH2 ARG 11 -5.902 -12.902 -5.794
61 HA PRO 12 HA PRO 12 -6.293 -7.404 -15.051
62 HB2 PRO 12 1HB PRO 12 -8.136 -5.660 -14.083
63 HB3 PRO 12 2HB PRO 12 -8.513 -7.345 -14.462
64 HG2 PRO 12 1HG PRO 12 -7.912 -6.088 -11.812
65 HG3 PRO 12 2HG PRO 12 -9.160 -7.276 -12.229
66 HD2 PRO 12 1HD PRO 12 -6.834 -7.967 -11.028
67 HD3 PRO 12 2HD PRO 12 -7.680 -9.042 -12.159
68 H TYR 13 H TYR 13 -4.944 -6.219 -12.164
69 HA TYR 13 HA TYR 13 -4.151 -3.726 -13.521
70 HB2 TYR 13 1HB TYR 13 -4.286 -3.946 -10.530
71 HB3 TYR 13 2HB TYR 13 -4.322 -2.503 -11.537
72 HD1 TYR 13 HD2 TYR 13 -6.412 -2.233 -13.070
73 HD2 TYR 13 HD1 TYR 13 -6.271 -4.796 -9.678
74 HE1 TYR 13 HE2 TYR 13 -8.868 -2.211 -12.960
75 HE2 TYR 13 HE1 TYR 13 -8.728 -4.783 -9.558
76 HH TYR 13 HH TYR 13 -10.615 -2.695 -10.731
77 H GLU 14 H GLU 14 -2.053 -3.617 -13.928
78 HA GLU 14 HA GLU 14 -0.157 -4.815 -12.043
79 HB2 GLU 14 1HB GLU 14 -0.344 -5.388 -14.990
80 HB3 GLU 14 2HB GLU 14 1.171 -5.571 -14.118
81 HG2 GLU 14 1HG GLU 14 0.438 -7.381 -12.934
82 HG3 GLU 14 2HG GLU 14 -1.255 -6.901 -13.036
83 H CYS 15 H CYS 15 1.593 -3.588 -11.666
84 HA CYS 15 HA CYS 15 1.743 -1.001 -12.959
85 HB2 CYS 15 1HB CYS 15 2.012 -1.035 -10.567
86 HB3 CYS 15 2HB CYS 15 3.295 -2.234 -10.678
87 H ILE 16 H ILE 16 2.381 -1.676 -15.069
88 HA ILE 16 HA ILE 16 4.455 -3.263 -15.839
89 HB ILE 16 HB ILE 16 3.720 -0.599 -17.057
90 HG12 ILE 16 1HG1 ILE 16 2.889 -3.296 -18.081
91 HG13 ILE 16 2HG1 ILE 16 1.980 -2.526 -16.785
92 HG21 ILE 16 1HG2 ILE 16 5.079 -2.899 -18.434
93 HG22 ILE 16 2HG2 ILE 16 4.856 -1.251 -19.018
94 HG23 ILE 16 3HG2 ILE 16 5.972 -1.573 -17.692
95 HD11 ILE 16 3HD1 ILE 16 1.547 -2.193 -19.461
96 HD12 ILE 16 1HD1 ILE 16 0.983 -1.114 -18.185
97 HD13 ILE 16 2HD1 ILE 16 2.484 -0.759 -19.042
98 H GLU 17 H GLU 17 4.650 -0.089 -14.394
99 HA GLU 17 HA GLU 17 7.140 0.803 -15.005
100 HB2 GLU 17 1HB GLU 17 5.334 1.617 -13.245
101 HB3 GLU 17 2HB GLU 17 6.400 0.797 -12.114
102 HG2 GLU 17 1HG GLU 17 6.898 3.178 -12.276
103 HG3 GLU 17 2HG GLU 17 8.256 2.187 -12.805
104 H CYS 18 H CYS 18 6.532 -1.262 -12.157
105 HA CYS 18 HA CYS 18 9.324 -2.154 -12.296
106 HB2 CYS 18 1HB CYS 18 8.840 -3.047 -9.974
107 HB3 CYS 18 2HB CYS 18 8.797 -1.295 -10.141
108 H GLY 19 H GLY 19 6.014 -3.400 -12.009
109 HA2 GLY 19 1HA GLY 19 5.497 -5.333 -13.461
110 HA3 GLY 19 2HA GLY 19 7.035 -6.011 -12.947
111 H LYS 20 H LYS 20 4.234 -4.576 -11.268
112 HA LYS 20 HA LYS 20 4.079 -7.034 -9.651
113 HB2 LYS 20 1HB LYS 20 4.993 -4.789 -8.584
114 HB3 LYS 20 2HB LYS 20 3.279 -4.410 -8.471
115 HG2 LYS 20 1HG LYS 20 4.192 -7.052 -7.471
116 HG3 LYS 20 2HG LYS 20 4.571 -5.616 -6.516
117 HD2 LYS 20 1HD LYS 20 2.294 -5.077 -6.234
118 HD3 LYS 20 2HD LYS 20 1.791 -6.189 -7.510
119 HE2 LYS 20 1HE LYS 20 3.138 -7.121 -4.988
120 HE3 LYS 20 2HE LYS 20 1.390 -6.929 -5.110
121 HZ1 LYS 20 3HZ LYS 20 1.877 -8.385 -7.279
122 HZ2 LYS 20 1HZ LYS 20 1.509 -9.061 -5.772
123 HZ3 LYS 20 2HZ LYS 20 3.119 -8.948 -6.277
124 H ALA 21 H ALA 21 2.029 -7.738 -9.063
125 HA ALA 21 HA ALA 21 -0.166 -6.516 -10.591
126 HB1 ALA 21 3HB ALA 21 0.656 -9.243 -10.143
127 HB2 ALA 21 1HB ALA 21 -1.024 -8.999 -9.664
128 HB3 ALA 21 2HB ALA 21 -0.506 -8.594 -11.301
129 H PHE 22 H PHE 22 -1.905 -5.696 -9.587
130 HA PHE 22 HA PHE 22 -2.078 -6.042 -6.666
131 HB2 PHE 22 1HB PHE 22 -3.033 -3.682 -8.299
132 HB3 PHE 22 2HB PHE 22 -3.063 -3.820 -6.544
133 HD1 PHE 22 HD2 PHE 22 -0.746 -3.767 -9.446
134 HD2 PHE 22 HD1 PHE 22 -1.267 -3.074 -5.279
135 HE1 PHE 22 HE2 PHE 22 1.500 -2.769 -9.335
136 HE2 PHE 22 HE1 PHE 22 0.978 -2.074 -5.162
137 HZ PHE 22 HZ PHE 22 2.365 -1.921 -7.191
138 H LYS 23 H LYS 23 -4.028 -6.531 -5.746
139 HA LYS 23 HA LYS 23 -5.944 -7.862 -7.351
140 HB2 LYS 23 1HB LYS 23 -5.511 -8.511 -5.032
141 HB3 LYS 23 2HB LYS 23 -6.113 -6.958 -4.470
142 HG2 LYS 23 1HG LYS 23 -7.960 -8.239 -4.128
143 HG3 LYS 23 2HG LYS 23 -8.273 -7.706 -5.781
144 HD2 LYS 23 1HD LYS 23 -7.417 -9.781 -6.661
145 HD3 LYS 23 2HD LYS 23 -6.925 -10.304 -5.049
146 HE2 LYS 23 1HE LYS 23 -8.922 -11.427 -5.323
147 HE3 LYS 23 2HE LYS 23 -9.439 -9.975 -4.468
148 HZ1 LYS 23 3HZ LYS 23 -9.650 -10.496 -7.382
149 HZ2 LYS 23 1HZ LYS 23 -9.995 -9.005 -6.660
150 HZ3 LYS 23 2HZ LYS 23 -10.923 -10.366 -6.275
151 H THR 24 H THR 24 -5.979 -4.745 -5.657
152 HA THR 24 HA THR 24 -8.497 -4.078 -7.018
153 HB THR 24 HB THR 24 -8.581 -2.150 -5.403
154 HG1 THR 24 HG1 THR 24 -6.735 -1.814 -4.414
155 HG21 THR 24 3HG2 THR 24 -8.449 -4.899 -4.160
156 HG22 THR 24 1HG2 THR 24 -9.835 -4.233 -5.021
157 HG23 THR 24 2HG2 THR 24 -9.304 -3.502 -3.507
158 H LYS 25 H LYS 25 -8.737 -1.900 -7.883
159 HA LYS 25 HA LYS 25 -6.476 -1.162 -9.482
160 HB2 LYS 25 1HB LYS 25 -8.806 -1.056 -10.317
161 HB3 LYS 25 2HB LYS 25 -9.142 0.230 -9.166
162 HG2 LYS 25 1HG LYS 25 -7.067 1.347 -10.377
163 HG3 LYS 25 2HG LYS 25 -7.595 0.295 -11.693
164 HD2 LYS 25 1HD LYS 25 -9.949 1.270 -11.175
165 HD3 LYS 25 2HD LYS 25 -9.045 2.557 -10.374
166 HE2 LYS 25 1HE LYS 25 -8.144 3.329 -12.336
167 HE3 LYS 25 2HE LYS 25 -8.238 1.755 -13.124
168 HZ1 LYS 25 3HZ LYS 25 -10.292 3.823 -12.853
169 HZ2 LYS 25 1HZ LYS 25 -10.794 2.208 -12.880
170 HZ3 LYS 25 2HZ LYS 25 -9.917 2.843 -14.180
171 H SER 26 H SER 26 -8.363 0.495 -6.955
172 HA SER 26 HA SER 26 -7.017 2.879 -6.824
173 HB2 SER 26 1HB SER 26 -7.686 2.971 -4.437
174 HB3 SER 26 2HB SER 26 -9.001 2.431 -5.479
175 HG SER 26 HG SER 26 -8.090 0.226 -4.881
176 H SER 27 H SER 27 -6.132 -0.176 -5.261
177 HA SER 27 HA SER 27 -3.964 0.698 -3.767
178 HB2 SER 27 1HB SER 27 -3.165 -1.630 -3.854
179 HB3 SER 27 2HB SER 27 -4.904 -1.563 -3.571
180 HG SER 27 HG SER 27 -4.702 -3.029 -5.157
181 H LEU 28 H LEU 28 -4.103 -0.291 -7.159
182 HA LEU 28 HA LEU 28 -1.304 -0.077 -7.616
183 HB2 LEU 28 1HB LEU 28 -2.485 -1.449 -9.104
184 HB3 LEU 28 2HB LEU 28 -3.709 -0.217 -9.402
185 HG LEU 28 HG LEU 28 -1.791 1.105 -10.512
186 HD11 LEU 28 1HD1 LEU 28 0.046 -0.141 -11.352
187 HD12 LEU 28 2HD1 LEU 28 -0.626 -1.659 -10.759
188 HD13 LEU 28 3HD1 LEU 28 -0.035 -0.451 -9.618
189 HD21 LEU 28 3HD2 LEU 28 -2.314 0.163 -12.615
190 HD22 LEU 28 1HD2 LEU 28 -3.749 -0.056 -11.614
191 HD23 LEU 28 2HD2 LEU 28 -2.664 -1.415 -11.906
192 H ILE 29 H ILE 29 -4.020 1.999 -8.642
193 HA ILE 29 HA ILE 29 -2.791 4.044 -9.872
194 HB ILE 29 HB ILE 29 -4.924 4.328 -7.753
195 HG12 ILE 29 1HG1 ILE 29 -5.338 4.432 -10.725
196 HG13 ILE 29 2HG1 ILE 29 -5.253 2.881 -9.896
197 HG21 ILE 29 1HG2 ILE 29 -4.916 6.528 -8.051
198 HG22 ILE 29 2HG2 ILE 29 -3.428 6.348 -8.978
199 HG23 ILE 29 3HG2 ILE 29 -4.986 6.340 -9.803
200 HD11 ILE 29 3HD1 ILE 29 -7.301 3.100 -9.040
201 HD12 ILE 29 1HD1 ILE 29 -7.067 4.803 -8.651
202 HD13 ILE 29 2HD1 ILE 29 -7.516 4.326 -10.289
203 H CYS 30 H CYS 30 -2.924 3.628 -6.350
204 HA CYS 30 HA CYS 30 -1.502 5.997 -5.731
205 HB2 CYS 30 1HB CYS 30 -2.877 4.922 -4.052
206 HB3 CYS 30 2HB CYS 30 -1.909 3.456 -4.144
207 HG CYS 30 HG CYS 30 0.379 5.376 -3.397
208 H HIS 31 H HIS 31 -0.495 2.615 -6.086
209 HA HIS 31 HA HIS 31 2.200 2.970 -5.389
210 HB2 HIS 31 1HB HIS 31 1.304 0.751 -5.473
211 HB3 HIS 31 2HB HIS 31 0.849 0.935 -7.164
212 HD1 HIS 31 HD1 HIS 31 4.011 0.837 -5.058
213 HD2 HIS 31 HD2 HIS 31 2.695 -0.023 -8.904
214 HE1 HIS 31 HE1 HIS 31 5.975 -0.222 -6.220
215 H ARG 32 H ARG 32 0.503 3.344 -8.449
216 HA ARG 32 HA ARG 32 2.729 3.561 -10.137
217 HB2 ARG 32 1HB ARG 32 -0.043 4.738 -10.332
218 HB3 ARG 32 2HB ARG 32 1.151 4.878 -11.615
219 HG2 ARG 32 1HG ARG 32 1.255 2.419 -11.749
220 HG3 ARG 32 2HG ARG 32 -0.010 2.325 -10.521
221 HD2 ARG 32 1HD ARG 32 -1.302 2.186 -12.393
222 HD3 ARG 32 2HD ARG 32 -1.257 3.939 -12.207
223 HE ARG 32 HE ARG 32 0.837 2.850 -13.867
224 HH11 ARG 32 1HH1 ARG 32 -2.401 4.124 -13.755
225 HH12 ARG 32 2HH1 ARG 32 -2.416 4.586 -15.425
226 HH21 ARG 32 1HH2 ARG 32 0.829 3.454 -16.067
227 HH22 ARG 32 2HH2 ARG 32 -0.579 4.204 -16.739
228 H ARG 33 H ARG 33 1.694 5.599 -7.660
229 HA ARG 33 HA ARG 33 2.854 8.006 -8.831
230 HB2 ARG 33 1HB ARG 33 1.877 7.910 -6.013
231 HB3 ARG 33 2HB ARG 33 1.775 9.212 -7.190
232 HG2 ARG 33 1HG ARG 33 0.164 6.676 -7.349
233 HG3 ARG 33 2HG ARG 33 -0.406 8.170 -6.603
234 HD2 ARG 33 1HD ARG 33 0.527 7.942 -9.460
235 HD3 ARG 33 2HD ARG 33 -1.160 7.847 -8.956
236 HE ARG 33 HE ARG 33 0.492 10.218 -9.092
237 HH11 ARG 33 1HH1 ARG 33 -2.417 8.758 -7.855
238 HH12 ARG 33 2HH1 ARG 33 -3.225 10.271 -7.605
239 HH21 ARG 33 1HH2 ARG 33 -0.562 12.215 -8.767
240 HH22 ARG 33 2HH2 ARG 33 -2.169 12.236 -8.125
241 H SER 34 H SER 34 3.305 5.937 -5.972
242 HA SER 34 HA SER 34 5.362 7.090 -4.675
243 HB2 SER 34 1HB SER 34 5.008 4.166 -5.349
244 HB3 SER 34 2HB SER 34 6.240 4.747 -4.229
245 HG SER 34 HG SER 34 4.741 5.199 -2.785
246 H HIS 35 H HIS 35 5.534 5.551 -7.809
247 HA HIS 35 HA HIS 35 8.355 5.413 -8.007
248 HB2 HIS 35 1HB HIS 35 6.137 5.410 -10.043
249 HB3 HIS 35 2HB HIS 35 7.829 5.364 -10.526
250 HD1 HIS 35 HD1 HIS 35 9.211 3.269 -9.395
251 HD2 HIS 35 HD2 HIS 35 5.072 2.965 -9.581
252 HE1 HIS 35 HE1 HIS 35 8.704 0.821 -9.118
253 H THR 36 H THR 36 6.003 7.792 -9.216
254 HA THR 36 HA THR 36 8.046 9.546 -10.207
255 HB THR 36 HB THR 36 5.074 9.925 -9.828
256 HG1 THR 36 HG1 THR 36 5.487 10.063 -12.286
257 HG21 THR 36 3HG2 THR 36 6.199 11.831 -11.624
258 HG22 THR 36 1HG2 THR 36 7.062 11.932 -10.090
259 HG23 THR 36 2HG2 THR 36 5.309 12.119 -10.129
260 H GLY 37 H GLY 37 9.303 9.744 -8.229
261 HA2 GLY 37 1HA GLY 37 10.013 10.957 -6.415
262 HA3 GLY 37 2HA GLY 37 8.816 12.159 -6.874
263 H GLU 38 H GLU 38 9.536 9.464 -4.815
264 HA GLU 38 HA GLU 38 6.901 9.307 -3.670
265 HB2 GLU 38 1HB GLU 38 7.858 7.690 -2.144
266 HB3 GLU 38 2HB GLU 38 8.406 7.347 -3.778
267 HG2 GLU 38 1HG GLU 38 10.485 8.716 -3.144
268 HG3 GLU 38 2HG GLU 38 9.943 8.492 -1.482
269 H LYS 39 H LYS 39 7.681 11.918 -3.563
270 HA LYS 39 HA LYS 39 7.370 12.526 -0.817
271 HB2 LYS 39 1HB LYS 39 9.459 13.503 -0.265
272 HB3 LYS 39 2HB LYS 39 9.826 11.917 -0.929
273 HG2 LYS 39 1HG LYS 39 9.839 14.294 -2.727
274 HG3 LYS 39 2HG LYS 39 11.208 14.002 -1.651
275 HD2 LYS 39 1HD LYS 39 11.150 11.603 -2.620
276 HD3 LYS 39 2HD LYS 39 10.186 12.321 -3.913
277 HE2 LYS 39 1HE LYS 39 12.456 12.335 -4.628
278 HE3 LYS 39 2HE LYS 39 12.023 13.996 -4.226
279 HZ1 LYS 39 3HZ LYS 39 14.161 12.558 -3.252
280 HZ2 LYS 39 1HZ LYS 39 13.073 12.651 -1.960
281 HZ3 LYS 39 2HZ LYS 39 13.618 14.066 -2.709
282 HA PRO 40 HA PRO 40 5.786 16.193 -2.653
283 HB2 PRO 40 1HB PRO 40 5.827 17.849 -0.502
284 HB3 PRO 40 2HB PRO 40 4.663 16.530 -0.677
285 HG2 PRO 40 1HG PRO 40 7.204 16.617 0.904
286 HG3 PRO 40 2HG PRO 40 5.623 15.955 1.361
287 HD2 PRO 40 1HD PRO 40 7.666 14.393 0.513
288 HD3 PRO 40 2HD PRO 40 5.965 13.996 0.195
289 H SER 41 H SER 41 6.587 17.870 -3.782
290 HA SER 41 HA SER 41 9.239 18.906 -3.016
291 HB2 SER 41 1HB SER 41 8.116 18.366 -5.770
292 HB3 SER 41 2HB SER 41 9.574 19.316 -5.489
293 HG SER 41 HG SER 41 9.122 16.581 -4.930
294 H GLY 42 H GLY 42 9.333 21.016 -2.615
295 HA2 GLY 42 1HA GLY 42 8.820 23.257 -2.616
296 HA3 GLY 42 2HA GLY 42 7.921 22.978 -4.101
297 HA PRO 43 HA PRO 43 5.161 23.621 -0.225
298 HB2 PRO 43 1HB PRO 43 4.720 26.295 -0.387
299 HB3 PRO 43 2HB PRO 43 6.030 25.593 0.570
300 HG2 PRO 43 1HG PRO 43 6.122 26.808 -2.165
301 HG3 PRO 43 2HG PRO 43 7.251 27.010 -0.812
302 HD2 PRO 43 1HD PRO 43 7.752 25.349 -2.891
303 HD3 PRO 43 2HD PRO 43 8.322 25.015 -1.243
304 H SER 44 H SER 44 5.176 23.933 -3.519
305 HA SER 44 HA SER 44 2.561 25.037 -3.925
306 HB2 SER 44 1HB SER 44 2.876 24.329 -6.271
307 HB3 SER 44 2HB SER 44 4.271 25.222 -5.666
308 HG SER 44 HG SER 44 5.435 23.537 -6.082
309 H SER 45 H SER 45 1.067 23.858 -2.779
310 HA SER 45 HA SER 45 0.662 21.085 -3.691
311 HB2 SER 45 1HB SER 45 1.463 21.310 -1.294
312 HB3 SER 45 2HB SER 45 -0.070 22.107 -0.942
313 HG SER 45 HG SER 45 0.301 19.602 -0.809
314 H GLY 46 H GLY 46 -0.826 21.680 -5.272
315 HA2 GLY 46 1HA GLY 46 -2.974 23.445 -4.931
316 HA3 GLY 46 2HA GLY 46 -2.907 22.151 -6.118
Start of MODEL 4
1 H1 GLY 1 H GLY 1 14.377 -24.883 -19.400
2 HA2 GLY 1 1HA GLY 1 15.580 -24.649 -16.943
3 HA3 GLY 1 2HA GLY 1 13.960 -24.010 -16.706
4 H SER 2 H SER 2 15.026 -26.305 -15.416
5 HA SER 2 HA SER 2 14.067 -28.675 -16.698
6 HB2 SER 2 1HB SER 2 15.911 -28.528 -14.933
7 HB3 SER 2 2HB SER 2 14.617 -28.367 -13.746
8 HG SER 2 HG SER 2 15.580 -30.586 -14.677
9 H SER 3 H SER 3 12.925 -26.759 -13.922
10 HA SER 3 HA SER 3 10.181 -27.430 -14.585
11 HB2 SER 3 1HB SER 3 11.605 -28.502 -12.197
12 HB3 SER 3 2HB SER 3 9.936 -27.974 -11.985
13 HG SER 3 HG SER 3 10.326 -30.248 -12.639
14 H GLY 4 H GLY 4 8.618 -26.197 -13.274
15 HA2 GLY 4 1HA GLY 4 8.566 -24.403 -11.468
16 HA3 GLY 4 2HA GLY 4 9.804 -23.625 -12.443
17 H SER 5 H SER 5 6.689 -23.398 -11.681
18 HA SER 5 HA SER 5 5.999 -22.225 -14.287
19 HB2 SER 5 1HB SER 5 4.842 -24.412 -14.016
20 HB3 SER 5 2HB SER 5 4.083 -23.798 -12.548
21 HG SER 5 HG SER 5 2.632 -23.412 -14.136
22 H SER 6 H SER 6 6.255 -20.124 -13.705
23 HA SER 6 HA SER 6 4.645 -19.165 -11.429
24 HB2 SER 6 1HB SER 6 7.185 -18.919 -11.285
25 HB3 SER 6 2HB SER 6 7.039 -17.729 -12.578
26 HG SER 6 HG SER 6 5.288 -16.916 -10.944
27 H GLY 7 H GLY 7 3.419 -19.541 -13.873
28 HA2 GLY 7 1HA GLY 7 2.645 -16.802 -14.487
29 HA3 GLY 7 2HA GLY 7 3.309 -17.727 -15.826
30 H THR 8 H THR 8 1.059 -18.521 -13.178
31 HA THR 8 HA THR 8 -0.756 -19.658 -15.192
32 HB THR 8 HB THR 8 -1.832 -20.800 -13.216
33 HG1 THR 8 HG1 THR 8 -1.073 -19.547 -11.520
34 HG21 THR 8 3HG2 THR 8 -0.020 -21.768 -14.763
35 HG22 THR 8 1HG2 THR 8 -0.317 -22.586 -13.230
36 HG23 THR 8 2HG2 THR 8 1.077 -21.521 -13.406
37 H GLY 9 H GLY 9 -0.609 -17.467 -12.428
38 HA2 GLY 9 1HA GLY 9 -3.415 -16.722 -12.850
39 HA3 GLY 9 2HA GLY 9 -2.430 -16.285 -11.462
40 H GLN 10 H GLN 10 -3.978 -14.405 -12.755
41 HA GLN 10 HA GLN 10 -1.954 -12.501 -13.524
42 HB2 GLN 10 1HB GLN 10 -4.149 -13.208 -15.478
43 HB3 GLN 10 2HB GLN 10 -2.979 -11.909 -15.669
44 HG2 GLN 10 1HG GLN 10 -1.172 -13.516 -15.793
45 HG3 GLN 10 2HG GLN 10 -2.305 -14.838 -15.517
46 HE21 GLN 10 1HE2 GLN 10 -0.492 -13.711 -17.807
47 HE22 GLN 10 2HE2 GLN 10 -1.498 -13.904 -19.198
48 H ARG 11 H ARG 11 -2.526 -10.450 -13.011
49 HA ARG 11 HA ARG 11 -5.219 -10.087 -11.895
50 HB2 ARG 11 1HB ARG 11 -2.573 -8.775 -11.339
51 HB3 ARG 11 2HB ARG 11 -4.080 -8.006 -10.862
52 HG2 ARG 11 1HG ARG 11 -3.519 -10.828 -10.061
53 HG3 ARG 11 2HG ARG 11 -2.805 -9.484 -9.167
54 HD2 ARG 11 1HD ARG 11 -4.966 -8.597 -8.646
55 HD3 ARG 11 2HD ARG 11 -5.754 -9.754 -9.718
56 HE ARG 11 HE ARG 11 -4.860 -10.215 -7.027
57 HH11 ARG 11 1HH1 ARG 11 -5.607 -11.697 -10.087
58 HH12 ARG 11 2HH1 ARG 11 -5.941 -13.252 -9.400
59 HH21 ARG 11 1HH2 ARG 11 -5.297 -12.258 -6.111
60 HH22 ARG 11 2HH2 ARG 11 -5.765 -13.570 -7.138
61 HA PRO 12 HA PRO 12 -6.321 -7.333 -15.147
62 HB2 PRO 12 1HB PRO 12 -8.239 -5.898 -13.870
63 HB3 PRO 12 2HB PRO 12 -8.484 -7.564 -14.406
64 HG2 PRO 12 1HG PRO 12 -7.800 -6.533 -11.680
65 HG3 PRO 12 2HG PRO 12 -8.959 -7.794 -12.142
66 HD2 PRO 12 1HD PRO 12 -6.491 -8.363 -11.183
67 HD3 PRO 12 2HD PRO 12 -7.317 -9.396 -12.368
68 H TYR 13 H TYR 13 -5.152 -6.201 -12.087
69 HA TYR 13 HA TYR 13 -4.500 -3.603 -13.316
70 HB2 TYR 13 1HB TYR 13 -4.884 -4.076 -10.359
71 HB3 TYR 13 2HB TYR 13 -4.730 -2.532 -11.190
72 HD1 TYR 13 HD2 TYR 13 -6.582 -2.125 -13.058
73 HD2 TYR 13 HD1 TYR 13 -6.999 -4.771 -9.752
74 HE1 TYR 13 HE2 TYR 13 -9.029 -1.986 -13.263
75 HE2 TYR 13 HE1 TYR 13 -9.447 -4.640 -9.949
76 HH TYR 13 HH TYR 13 -11.020 -3.526 -12.605
77 H GLU 14 H GLU 14 -2.450 -4.022 -13.998
78 HA GLU 14 HA GLU 14 -0.510 -4.817 -11.926
79 HB2 GLU 14 1HB GLU 14 -0.793 -5.639 -14.772
80 HB3 GLU 14 2HB GLU 14 0.837 -5.447 -14.142
81 HG2 GLU 14 1HG GLU 14 0.434 -7.076 -12.433
82 HG3 GLU 14 2HG GLU 14 -1.270 -7.180 -12.874
83 H CYS 15 H CYS 15 1.568 -3.833 -12.009
84 HA CYS 15 HA CYS 15 1.470 -1.116 -13.073
85 HB2 CYS 15 1HB CYS 15 2.081 -1.237 -10.763
86 HB3 CYS 15 2HB CYS 15 3.293 -2.473 -11.084
87 H ILE 16 H ILE 16 2.327 -0.716 -14.993
88 HA ILE 16 HA ILE 16 4.280 -2.539 -16.139
89 HB ILE 16 HB ILE 16 3.075 -0.070 -17.389
90 HG12 ILE 16 1HG1 ILE 16 2.178 -2.849 -18.040
91 HG13 ILE 16 2HG1 ILE 16 1.536 -2.063 -16.601
92 HG21 ILE 16 1HG2 ILE 16 3.903 -2.301 -19.086
93 HG22 ILE 16 2HG2 ILE 16 4.195 -0.572 -19.262
94 HG23 ILE 16 3HG2 ILE 16 5.227 -1.537 -18.207
95 HD11 ILE 16 3HD1 ILE 16 1.366 -0.231 -18.758
96 HD12 ILE 16 1HD1 ILE 16 0.708 -1.779 -19.287
97 HD13 ILE 16 2HD1 ILE 16 0.062 -0.993 -17.846
98 H GLU 17 H GLU 17 5.388 -1.282 -13.995
99 HA GLU 17 HA GLU 17 7.318 0.533 -15.274
100 HB2 GLU 17 1HB GLU 17 5.734 1.775 -13.792
101 HB3 GLU 17 2HB GLU 17 6.305 0.806 -12.440
102 HG2 GLU 17 1HG GLU 17 7.441 2.872 -12.337
103 HG3 GLU 17 2HG GLU 17 8.606 1.677 -12.906
104 H CYS 18 H CYS 18 6.737 -1.515 -12.421
105 HA CYS 18 HA CYS 18 9.593 -2.237 -12.468
106 HB2 CYS 18 1HB CYS 18 9.279 -2.838 -10.058
107 HB3 CYS 18 2HB CYS 18 9.057 -1.125 -10.403
108 H GLY 19 H GLY 19 6.329 -3.503 -11.853
109 HA2 GLY 19 1HA GLY 19 5.853 -5.599 -13.148
110 HA3 GLY 19 2HA GLY 19 7.368 -6.196 -12.486
111 H LYS 20 H LYS 20 4.370 -4.691 -11.271
112 HA LYS 20 HA LYS 20 4.157 -6.882 -9.330
113 HB2 LYS 20 1HB LYS 20 5.124 -4.570 -8.470
114 HB3 LYS 20 2HB LYS 20 3.423 -4.126 -8.449
115 HG2 LYS 20 1HG LYS 20 4.252 -6.670 -7.149
116 HG3 LYS 20 2HG LYS 20 4.588 -5.141 -6.334
117 HD2 LYS 20 1HD LYS 20 2.057 -4.672 -6.936
118 HD3 LYS 20 2HD LYS 20 1.981 -6.436 -6.959
119 HE2 LYS 20 1HE LYS 20 3.165 -4.898 -4.662
120 HE3 LYS 20 2HE LYS 20 1.447 -5.284 -4.754
121 HZ1 LYS 20 3HZ LYS 20 3.722 -7.040 -4.263
122 HZ2 LYS 20 1HZ LYS 20 2.459 -7.677 -5.191
123 HZ3 LYS 20 2HZ LYS 20 2.154 -7.097 -3.632
124 H ALA 21 H ALA 21 2.066 -7.453 -8.747
125 HA ALA 21 HA ALA 21 -0.056 -6.220 -10.379
126 HB1 ALA 21 3HB ALA 21 0.750 -8.921 -10.138
127 HB2 ALA 21 1HB ALA 21 -0.851 -8.775 -9.413
128 HB3 ALA 21 2HB ALA 21 -0.585 -8.256 -11.078
129 H PHE 22 H PHE 22 -2.057 -5.792 -9.450
130 HA PHE 22 HA PHE 22 -2.227 -6.080 -6.528
131 HB2 PHE 22 1HB PHE 22 -3.077 -3.632 -8.089
132 HB3 PHE 22 2HB PHE 22 -3.182 -3.847 -6.344
133 HD1 PHE 22 HD2 PHE 22 -0.699 -3.827 -9.118
134 HD2 PHE 22 HD1 PHE 22 -1.475 -3.075 -5.001
135 HE1 PHE 22 HE2 PHE 22 1.557 -2.877 -8.869
136 HE2 PHE 22 HE1 PHE 22 0.780 -2.124 -4.746
137 HZ PHE 22 HZ PHE 22 2.299 -2.025 -6.681
138 H LYS 23 H LYS 23 -4.326 -6.274 -5.666
139 HA LYS 23 HA LYS 23 -6.158 -7.671 -7.334
140 HB2 LYS 23 1HB LYS 23 -7.604 -7.708 -5.322
141 HB3 LYS 23 2HB LYS 23 -5.964 -8.252 -4.994
142 HG2 LYS 23 1HG LYS 23 -5.447 -5.991 -4.112
143 HG3 LYS 23 2HG LYS 23 -7.147 -5.567 -4.324
144 HD2 LYS 23 1HD LYS 23 -7.747 -7.459 -2.830
145 HD3 LYS 23 2HD LYS 23 -6.027 -7.733 -2.547
146 HE2 LYS 23 1HE LYS 23 -6.740 -6.438 -0.726
147 HE3 LYS 23 2HE LYS 23 -5.930 -5.300 -1.801
148 HZ1 LYS 23 3HZ LYS 23 -8.123 -4.564 -0.846
149 HZ2 LYS 23 1HZ LYS 23 -8.862 -5.714 -1.843
150 HZ3 LYS 23 2HZ LYS 23 -7.979 -4.444 -2.528
151 H THR 24 H THR 24 -6.299 -4.507 -5.712
152 HA THR 24 HA THR 24 -8.541 -3.788 -7.483
153 HB THR 24 HB THR 24 -9.115 -2.047 -5.838
154 HG1 THR 24 HG1 THR 24 -7.358 -3.209 -3.974
155 HG21 THR 24 3HG2 THR 24 -10.410 -3.889 -5.407
156 HG22 THR 24 1HG2 THR 24 -9.550 -3.763 -3.873
157 HG23 THR 24 2HG2 THR 24 -9.021 -4.928 -5.088
158 H LYS 25 H LYS 25 -8.354 -2.097 -8.839
159 HA LYS 25 HA LYS 25 -5.927 -1.116 -9.675
160 HB2 LYS 25 1HB LYS 25 -7.946 -0.881 -11.006
161 HB3 LYS 25 2HB LYS 25 -8.633 0.223 -9.823
162 HG2 LYS 25 1HG LYS 25 -7.879 1.597 -11.549
163 HG3 LYS 25 2HG LYS 25 -6.632 1.724 -10.307
164 HD2 LYS 25 1HD LYS 25 -5.331 1.397 -12.167
165 HD3 LYS 25 2HD LYS 25 -5.560 -0.273 -11.643
166 HE2 LYS 25 1HE LYS 25 -5.986 -0.321 -13.943
167 HE3 LYS 25 2HE LYS 25 -7.585 -0.294 -13.203
168 HZ1 LYS 25 3HZ LYS 25 -8.051 1.613 -14.207
169 HZ2 LYS 25 1HZ LYS 25 -6.632 1.432 -15.110
170 HZ3 LYS 25 2HZ LYS 25 -6.616 2.338 -13.682
171 H SER 26 H SER 26 -8.195 0.426 -7.412
172 HA SER 26 HA SER 26 -6.982 2.810 -6.929
173 HB2 SER 26 1HB SER 26 -9.037 2.245 -5.807
174 HB3 SER 26 2HB SER 26 -8.255 0.934 -4.925
175 HG SER 26 HG SER 26 -8.072 2.459 -3.465
176 H SER 27 H SER 27 -6.182 -0.249 -5.289
177 HA SER 27 HA SER 27 -4.095 0.736 -3.713
178 HB2 SER 27 1HB SER 27 -3.440 -1.560 -3.391
179 HB3 SER 27 2HB SER 27 -5.201 -1.506 -3.467
180 HG SER 27 HG SER 27 -4.196 -3.191 -4.749
181 H LEU 28 H LEU 28 -4.128 -0.442 -7.028
182 HA LEU 28 HA LEU 28 -1.312 -0.502 -7.374
183 HB2 LEU 28 1HB LEU 28 -2.559 -1.774 -8.892
184 HB3 LEU 28 2HB LEU 28 -3.647 -0.435 -9.253
185 HG LEU 28 HG LEU 28 -1.769 0.695 -10.432
186 HD11 LEU 28 1HD1 LEU 28 0.228 -0.514 -10.971
187 HD12 LEU 28 2HD1 LEU 28 -0.360 -1.951 -10.135
188 HD13 LEU 28 3HD1 LEU 28 0.040 -0.499 -9.217
189 HD21 LEU 28 3HD2 LEU 28 -2.416 -2.062 -11.469
190 HD22 LEU 28 1HD2 LEU 28 -1.898 -0.670 -12.419
191 HD23 LEU 28 2HD2 LEU 28 -3.467 -0.653 -11.614
192 H ILE 29 H ILE 29 -3.738 1.808 -8.609
193 HA ILE 29 HA ILE 29 -2.181 3.689 -9.761
194 HB ILE 29 HB ILE 29 -4.506 4.252 -7.917
195 HG12 ILE 29 1HG1 ILE 29 -4.588 4.196 -10.920
196 HG13 ILE 29 2HG1 ILE 29 -4.746 2.706 -9.997
197 HG21 ILE 29 1HG2 ILE 29 -2.733 6.086 -8.929
198 HG22 ILE 29 2HG2 ILE 29 -4.031 6.099 -10.121
199 HG23 ILE 29 3HG2 ILE 29 -4.389 6.425 -8.426
200 HD11 ILE 29 3HD1 ILE 29 -6.495 5.075 -9.457
201 HD12 ILE 29 1HD1 ILE 29 -6.877 3.902 -10.717
202 HD13 ILE 29 2HD1 ILE 29 -6.758 3.382 -9.036
203 H CYS 30 H CYS 30 -2.755 3.373 -6.277
204 HA CYS 30 HA CYS 30 -1.358 5.642 -5.439
205 HB2 CYS 30 1HB CYS 30 -2.849 4.192 -4.022
206 HB3 CYS 30 2HB CYS 30 -1.536 3.025 -3.940
207 HG CYS 30 HG CYS 30 -2.095 5.522 -1.974
208 H HIS 31 H HIS 31 -0.232 2.329 -5.994
209 HA HIS 31 HA HIS 31 2.432 2.782 -5.145
210 HB2 HIS 31 1HB HIS 31 1.810 0.528 -5.190
211 HB3 HIS 31 2HB HIS 31 1.088 0.660 -6.791
212 HD1 HIS 31 HD1 HIS 31 4.612 1.243 -5.451
213 HD2 HIS 31 HD2 HIS 31 2.621 -0.692 -8.542
214 HE1 HIS 31 HE1 HIS 31 6.411 0.159 -6.835
215 H ARG 32 H ARG 32 0.784 3.129 -8.223
216 HA ARG 32 HA ARG 32 2.982 3.341 -9.923
217 HB2 ARG 32 1HB ARG 32 0.298 4.725 -10.070
218 HB3 ARG 32 2HB ARG 32 1.468 4.683 -11.383
219 HG2 ARG 32 1HG ARG 32 0.468 2.144 -10.161
220 HG3 ARG 32 2HG ARG 32 -0.483 2.998 -11.378
221 HD2 ARG 32 1HD ARG 32 2.381 2.126 -11.739
222 HD3 ARG 32 2HD ARG 32 0.980 1.221 -12.313
223 HE ARG 32 HE ARG 32 0.595 3.616 -13.449
224 HH11 ARG 32 1HH1 ARG 32 3.395 1.556 -13.273
225 HH12 ARG 32 2HH1 ARG 32 4.042 2.085 -14.790
226 HH21 ARG 32 1HH2 ARG 32 1.436 4.322 -15.449
227 HH22 ARG 32 2HH2 ARG 32 2.928 3.659 -16.027
228 H ARG 33 H ARG 33 1.072 6.106 -8.723
229 HA ARG 33 HA ARG 33 2.892 8.083 -9.417
230 HB2 ARG 33 1HB ARG 33 1.566 9.555 -8.222
231 HB3 ARG 33 2HB ARG 33 0.444 8.235 -8.521
232 HG2 ARG 33 1HG ARG 33 0.713 7.407 -6.298
233 HG3 ARG 33 2HG ARG 33 2.031 8.538 -5.984
234 HD2 ARG 33 1HD ARG 33 0.601 10.371 -5.891
235 HD3 ARG 33 2HD ARG 33 -0.681 9.534 -6.766
236 HE ARG 33 HE ARG 33 -0.135 8.273 -4.279
237 HH11 ARG 33 1HH1 ARG 33 -1.727 11.019 -5.709
238 HH12 ARG 33 2HH1 ARG 33 -2.886 11.178 -4.431
239 HH21 ARG 33 1HH2 ARG 33 -1.656 8.471 -2.590
240 HH22 ARG 33 2HH2 ARG 33 -2.844 9.728 -2.657
241 H SER 34 H SER 34 2.755 6.043 -6.568
242 HA SER 34 HA SER 34 4.446 7.382 -4.845
243 HB2 SER 34 1HB SER 34 3.179 5.227 -4.406
244 HB3 SER 34 2HB SER 34 4.490 4.385 -5.231
245 HG SER 34 HG SER 34 5.915 5.171 -3.664
246 H HIS 35 H HIS 35 5.270 5.267 -7.554
247 HA HIS 35 HA HIS 35 7.920 4.834 -7.284
248 HB2 HIS 35 1HB HIS 35 6.245 5.483 -9.671
249 HB3 HIS 35 2HB HIS 35 7.992 5.387 -9.871
250 HD1 HIS 35 HD1 HIS 35 9.096 3.036 -9.306
251 HD2 HIS 35 HD2 HIS 35 4.947 3.068 -9.518
252 HE1 HIS 35 HE1 HIS 35 8.415 0.624 -9.505
253 H THR 36 H THR 36 6.589 7.793 -8.769
254 HA THR 36 HA THR 36 7.636 9.784 -9.273
255 HB THR 36 HB THR 36 8.433 10.966 -7.245
256 HG1 THR 36 HG1 THR 36 7.944 8.480 -5.935
257 HG21 THR 36 3HG2 THR 36 6.028 9.541 -6.272
258 HG22 THR 36 1HG2 THR 36 5.907 10.298 -7.860
259 HG23 THR 36 2HG2 THR 36 6.326 11.270 -6.449
260 H GLY 37 H GLY 37 9.267 7.669 -10.097
261 HA2 GLY 37 1HA GLY 37 11.436 7.973 -11.095
262 HA3 GLY 37 2HA GLY 37 11.919 8.877 -9.667
263 H GLU 38 H GLU 38 13.111 6.503 -11.015
264 HA GLU 38 HA GLU 38 13.100 4.689 -8.692
265 HB2 GLU 38 1HB GLU 38 13.109 4.120 -11.625
266 HB3 GLU 38 2HB GLU 38 13.953 3.015 -10.550
267 HG2 GLU 38 1HG GLU 38 11.666 3.135 -9.228
268 HG3 GLU 38 2HG GLU 38 11.052 3.554 -10.826
269 H LYS 39 H LYS 39 15.149 3.429 -8.464
270 HA LYS 39 HA LYS 39 17.363 3.542 -7.897
271 HB2 LYS 39 1HB LYS 39 17.379 4.280 -10.822
272 HB3 LYS 39 2HB LYS 39 18.855 3.995 -9.908
273 HG2 LYS 39 1HG LYS 39 17.707 1.735 -9.299
274 HG3 LYS 39 2HG LYS 39 16.734 2.069 -10.733
275 HD2 LYS 39 1HD LYS 39 19.690 2.341 -10.939
276 HD3 LYS 39 2HD LYS 39 19.002 0.717 -10.880
277 HE2 LYS 39 1HE LYS 39 19.127 1.231 -13.164
278 HE3 LYS 39 2HE LYS 39 17.437 1.494 -12.736
279 HZ1 LYS 39 3HZ LYS 39 18.801 3.891 -12.322
280 HZ2 LYS 39 1HZ LYS 39 17.622 3.552 -13.487
281 HZ3 LYS 39 2HZ LYS 39 19.258 3.317 -13.847
282 HA PRO 40 HA PRO 40 17.217 8.254 -7.578
283 HB2 PRO 40 1HB PRO 40 16.675 8.378 -4.921
284 HB3 PRO 40 2HB PRO 40 15.413 8.324 -6.158
285 HG2 PRO 40 1HG PRO 40 16.497 6.109 -4.461
286 HG3 PRO 40 2HG PRO 40 14.814 6.471 -4.887
287 HD2 PRO 40 1HD PRO 40 16.250 4.543 -6.133
288 HD3 PRO 40 2HD PRO 40 14.996 5.487 -6.963
289 H SER 41 H SER 41 19.463 8.189 -7.934
290 HA SER 41 HA SER 41 21.427 7.081 -6.370
291 HB2 SER 41 1HB SER 41 21.538 9.736 -7.822
292 HB3 SER 41 2HB SER 41 22.939 8.824 -7.262
293 HG SER 41 HG SER 41 21.694 7.083 -8.626
294 H GLY 42 H GLY 42 20.403 10.497 -6.148
295 HA2 GLY 42 1HA GLY 42 20.055 11.779 -4.239
296 HA3 GLY 42 2HA GLY 42 20.493 10.387 -3.259
297 HA PRO 43 HA PRO 43 23.934 13.426 -2.877
298 HB2 PRO 43 1HB PRO 43 24.319 12.985 -0.226
299 HB3 PRO 43 2HB PRO 43 23.123 14.130 -0.846
300 HG2 PRO 43 1HG PRO 43 22.735 11.323 0.120
301 HG3 PRO 43 2HG PRO 43 21.748 12.761 0.436
302 HD2 PRO 43 1HD PRO 43 21.061 10.900 -1.407
303 HD3 PRO 43 2HD PRO 43 20.666 12.620 -1.595
304 H SER 44 H SER 44 26.163 13.051 -2.437
305 HA SER 44 HA SER 44 27.138 10.564 -3.243
306 HB2 SER 44 1HB SER 44 28.511 12.518 -3.511
307 HB3 SER 44 2HB SER 44 28.500 12.831 -1.775
308 HG SER 44 HG SER 44 29.823 11.115 -1.449
309 H SER 45 H SER 45 27.387 12.018 0.008
310 HA SER 45 HA SER 45 28.412 9.821 1.336
311 HB2 SER 45 1HB SER 45 26.497 11.909 2.406
312 HB3 SER 45 2HB SER 45 27.472 10.823 3.396
313 HG SER 45 HG SER 45 28.828 12.446 3.269
314 H GLY 46 H GLY 46 27.655 7.831 1.571
315 HA2 GLY 46 1HA GLY 46 25.996 6.370 2.540
316 HA3 GLY 46 2HA GLY 46 24.755 7.469 1.956
Start of MODEL 5
1 H1 GLY 1 H GLY 1 8.264 -32.185 -3.086
2 HA2 GLY 1 1HA GLY 1 7.925 -35.076 -3.509
3 HA3 GLY 1 2HA GLY 1 7.396 -34.180 -2.092
4 H SER 2 H SER 2 5.396 -33.241 -2.064
5 HA SER 2 HA SER 2 3.533 -34.185 -4.055
6 HB2 SER 2 1HB SER 2 1.837 -33.045 -2.581
7 HB3 SER 2 2HB SER 2 2.808 -34.271 -1.765
8 HG SER 2 HG SER 2 3.716 -31.629 -1.729
9 H SER 3 H SER 3 2.872 -33.102 -5.783
10 HA SER 3 HA SER 3 2.618 -30.228 -5.766
11 HB2 SER 3 1HB SER 3 4.986 -30.429 -6.312
12 HB3 SER 3 2HB SER 3 4.616 -31.570 -7.604
13 HG SER 3 HG SER 3 3.163 -29.581 -8.223
14 H GLY 4 H GLY 4 0.992 -29.599 -7.059
15 HA2 GLY 4 1HA GLY 4 0.279 -30.434 -9.548
16 HA3 GLY 4 2HA GLY 4 -0.481 -31.617 -8.493
17 H SER 5 H SER 5 -0.053 -28.075 -8.435
18 HA SER 5 HA SER 5 -2.968 -27.793 -8.292
19 HB2 SER 5 1HB SER 5 -2.791 -26.170 -6.469
20 HB3 SER 5 2HB SER 5 -2.110 -27.720 -5.975
21 HG SER 5 HG SER 5 -0.899 -25.587 -5.624
22 H SER 6 H SER 6 -3.775 -25.795 -9.029
23 HA SER 6 HA SER 6 -1.880 -24.330 -10.731
24 HB2 SER 6 1HB SER 6 -3.626 -25.238 -12.061
25 HB3 SER 6 2HB SER 6 -4.865 -24.741 -10.907
26 HG SER 6 HG SER 6 -4.829 -23.318 -12.656
27 H GLY 7 H GLY 7 -1.103 -22.973 -9.055
28 HA2 GLY 7 1HA GLY 7 -3.078 -21.019 -8.055
29 HA3 GLY 7 2HA GLY 7 -1.597 -21.447 -7.213
30 H THR 8 H THR 8 -3.052 -19.406 -9.541
31 HA THR 8 HA THR 8 -0.514 -17.964 -9.836
32 HB THR 8 HB THR 8 -0.702 -19.209 -11.896
33 HG1 THR 8 HG1 THR 8 -0.029 -17.401 -12.753
34 HG21 THR 8 3HG2 THR 8 -2.698 -19.807 -12.682
35 HG22 THR 8 1HG2 THR 8 -2.995 -18.129 -13.135
36 HG23 THR 8 2HG2 THR 8 -3.503 -18.719 -11.553
37 H GLY 9 H GLY 9 -0.705 -15.834 -9.503
38 HA2 GLY 9 1HA GLY 9 -3.011 -14.652 -8.518
39 HA3 GLY 9 2HA GLY 9 -1.646 -13.765 -9.179
40 H GLN 10 H GLN 10 -1.586 -13.780 -11.665
41 HA GLN 10 HA GLN 10 -2.529 -12.975 -13.574
42 HB2 GLN 10 1HB GLN 10 -4.634 -14.956 -12.710
43 HB3 GLN 10 2HB GLN 10 -4.694 -14.108 -14.249
44 HG2 GLN 10 1HG GLN 10 -2.305 -15.725 -13.441
45 HG3 GLN 10 2HG GLN 10 -3.711 -16.462 -14.208
46 HE21 GLN 10 1HE2 GLN 10 -1.958 -16.992 -15.785
47 HE22 GLN 10 2HE2 GLN 10 -1.667 -15.859 -17.055
48 H ARG 11 H ARG 11 -2.773 -11.184 -11.595
49 HA ARG 11 HA ARG 11 -5.471 -10.358 -11.132
50 HB2 ARG 11 1HB ARG 11 -2.763 -9.261 -10.538
51 HB3 ARG 11 2HB ARG 11 -4.130 -8.157 -10.490
52 HG2 ARG 11 1HG ARG 11 -3.888 -8.898 -8.292
53 HG3 ARG 11 2HG ARG 11 -5.228 -9.850 -8.934
54 HD2 ARG 11 1HD ARG 11 -3.714 -11.260 -7.661
55 HD3 ARG 11 2HD ARG 11 -3.689 -11.708 -9.366
56 HE ARG 11 HE ARG 11 -1.618 -10.032 -9.231
57 HH11 ARG 11 1HH1 ARG 11 -2.552 -12.686 -7.181
58 HH12 ARG 11 2HH1 ARG 11 -0.927 -13.079 -6.728
59 HH21 ARG 11 1HH2 ARG 11 0.526 -10.539 -8.642
60 HH22 ARG 11 2HH2 ARG 11 0.824 -11.857 -7.559
61 HA PRO 12 HA PRO 12 -6.234 -8.118 -14.844
62 HB2 PRO 12 1HB PRO 12 -8.132 -6.405 -13.932
63 HB3 PRO 12 2HB PRO 12 -8.443 -8.122 -14.214
64 HG2 PRO 12 1HG PRO 12 -7.849 -6.700 -11.647
65 HG3 PRO 12 2HG PRO 12 -9.052 -7.961 -11.975
66 HD2 PRO 12 1HD PRO 12 -6.677 -8.488 -10.786
67 HD3 PRO 12 2HD PRO 12 -7.496 -9.656 -11.842
68 H TYR 13 H TYR 13 -5.036 -6.641 -11.981
69 HA TYR 13 HA TYR 13 -4.357 -4.204 -13.493
70 HB2 TYR 13 1HB TYR 13 -4.648 -4.525 -10.498
71 HB3 TYR 13 2HB TYR 13 -4.231 -3.035 -11.338
72 HD1 TYR 13 HD2 TYR 13 -5.958 -2.152 -13.054
73 HD2 TYR 13 HD1 TYR 13 -6.878 -5.018 -10.047
74 HE1 TYR 13 HE2 TYR 13 -8.344 -1.596 -13.262
75 HE2 TYR 13 HE1 TYR 13 -9.267 -4.471 -10.248
76 HH TYR 13 HH TYR 13 -10.644 -3.108 -12.670
77 H GLU 14 H GLU 14 -2.294 -4.049 -14.036
78 HA GLU 14 HA GLU 14 -0.251 -5.075 -12.197
79 HB2 GLU 14 1HB GLU 14 -0.444 -5.649 -15.153
80 HB3 GLU 14 2HB GLU 14 1.034 -5.872 -14.228
81 HG2 GLU 14 1HG GLU 14 -0.250 -7.419 -12.732
82 HG3 GLU 14 2HG GLU 14 -1.579 -7.314 -13.885
83 H CYS 15 H CYS 15 1.633 -3.904 -12.116
84 HA CYS 15 HA CYS 15 1.516 -1.262 -13.330
85 HB2 CYS 15 1HB CYS 15 2.046 -1.212 -11.019
86 HB3 CYS 15 2HB CYS 15 3.246 -2.490 -11.189
87 H ILE 16 H ILE 16 2.300 -1.093 -15.327
88 HA ILE 16 HA ILE 16 4.421 -2.818 -16.268
89 HB ILE 16 HB ILE 16 3.159 -0.495 -17.722
90 HG12 ILE 16 1HG1 ILE 16 1.384 -1.999 -17.069
91 HG13 ILE 16 2HG1 ILE 16 1.709 -2.228 -18.784
92 HG21 ILE 16 1HG2 ILE 16 5.346 -2.061 -18.362
93 HG22 ILE 16 2HG2 ILE 16 4.025 -2.781 -19.281
94 HG23 ILE 16 3HG2 ILE 16 4.406 -1.070 -19.477
95 HD11 ILE 16 3HD1 ILE 16 3.346 -4.085 -17.639
96 HD12 ILE 16 1HD1 ILE 16 1.950 -4.095 -16.561
97 HD13 ILE 16 2HD1 ILE 16 1.735 -4.397 -18.285
98 H GLU 17 H GLU 17 5.303 -1.261 -14.149
99 HA GLU 17 HA GLU 17 7.171 0.578 -15.496
100 HB2 GLU 17 1HB GLU 17 5.341 1.471 -13.799
101 HB3 GLU 17 2HB GLU 17 6.516 0.934 -12.607
102 HG2 GLU 17 1HG GLU 17 7.201 2.794 -14.863
103 HG3 GLU 17 2HG GLU 17 6.655 3.348 -13.282
104 H CYS 18 H CYS 18 6.720 -1.528 -12.668
105 HA CYS 18 HA CYS 18 9.615 -2.076 -12.732
106 HB2 CYS 18 1HB CYS 18 9.414 -2.539 -10.275
107 HB3 CYS 18 2HB CYS 18 9.141 -0.857 -10.718
108 H GLY 19 H GLY 19 6.427 -3.406 -11.898
109 HA2 GLY 19 1HA GLY 19 6.016 -5.607 -13.069
110 HA3 GLY 19 2HA GLY 19 7.541 -6.104 -12.350
111 H LYS 20 H LYS 20 4.344 -4.828 -11.453
112 HA LYS 20 HA LYS 20 4.211 -6.795 -9.305
113 HB2 LYS 20 1HB LYS 20 4.329 -3.844 -8.921
114 HB3 LYS 20 2HB LYS 20 3.221 -4.756 -7.904
115 HG2 LYS 20 1HG LYS 20 6.026 -5.708 -8.147
116 HG3 LYS 20 2HG LYS 20 5.695 -4.283 -7.159
117 HD2 LYS 20 1HD LYS 20 5.572 -6.104 -5.675
118 HD3 LYS 20 2HD LYS 20 3.894 -5.685 -6.027
119 HE2 LYS 20 1HE LYS 20 3.614 -7.534 -7.440
120 HE3 LYS 20 2HE LYS 20 5.352 -7.789 -7.596
121 HZ1 LYS 20 3HZ LYS 20 5.474 -8.833 -5.591
122 HZ2 LYS 20 1HZ LYS 20 3.900 -9.275 -6.026
123 HZ3 LYS 20 2HZ LYS 20 4.151 -8.009 -4.933
124 H ALA 21 H ALA 21 2.045 -7.061 -8.442
125 HA ALA 21 HA ALA 21 -0.054 -6.049 -10.246
126 HB1 ALA 21 3HB ALA 21 0.607 -8.478 -10.601
127 HB2 ALA 21 1HB ALA 21 -0.121 -8.793 -9.026
128 HB3 ALA 21 2HB ALA 21 -1.106 -8.149 -10.340
129 H PHE 22 H PHE 22 -2.140 -5.789 -9.328
130 HA PHE 22 HA PHE 22 -2.274 -5.909 -6.399
131 HB2 PHE 22 1HB PHE 22 -3.074 -3.523 -8.080
132 HB3 PHE 22 2HB PHE 22 -3.349 -3.685 -6.348
133 HD1 PHE 22 HD2 PHE 22 -0.654 -3.604 -8.901
134 HD2 PHE 22 HD1 PHE 22 -1.738 -2.982 -4.832
135 HE1 PHE 22 HE2 PHE 22 1.561 -2.628 -8.464
136 HE2 PHE 22 HE1 PHE 22 0.476 -2.003 -4.389
137 HZ PHE 22 HZ PHE 22 2.129 -1.826 -6.205
138 H LYS 23 H LYS 23 -4.544 -5.614 -5.600
139 HA LYS 23 HA LYS 23 -6.274 -7.394 -7.004
140 HB2 LYS 23 1HB LYS 23 -6.635 -5.705 -4.531
141 HB3 LYS 23 2HB LYS 23 -7.907 -6.741 -5.165
142 HG2 LYS 23 1HG LYS 23 -5.198 -7.856 -4.567
143 HG3 LYS 23 2HG LYS 23 -6.386 -7.625 -3.282
144 HD2 LYS 23 1HD LYS 23 -7.181 -9.049 -5.784
145 HD3 LYS 23 2HD LYS 23 -6.244 -9.905 -4.557
146 HE2 LYS 23 1HE LYS 23 -7.961 -9.254 -2.881
147 HE3 LYS 23 2HE LYS 23 -8.916 -8.555 -4.187
148 HZ1 LYS 23 3HZ LYS 23 -8.971 -11.162 -3.319
149 HZ2 LYS 23 1HZ LYS 23 -8.144 -11.222 -4.794
150 HZ3 LYS 23 2HZ LYS 23 -9.693 -10.548 -4.720
151 H THR 24 H THR 24 -6.508 -3.934 -6.188
152 HA THR 24 HA THR 24 -8.214 -3.577 -8.554
153 HB THR 24 HB THR 24 -9.649 -2.003 -7.334
154 HG1 THR 24 HG1 THR 24 -9.358 -2.370 -4.869
155 HG21 THR 24 3HG2 THR 24 -10.397 -4.301 -7.489
156 HG22 THR 24 1HG2 THR 24 -10.834 -3.649 -5.911
157 HG23 THR 24 2HG2 THR 24 -9.454 -4.736 -6.064
158 H LYS 25 H LYS 25 -8.361 -1.288 -9.242
159 HA LYS 25 HA LYS 25 -5.896 -0.144 -9.688
160 HB2 LYS 25 1HB LYS 25 -8.701 0.833 -9.851
161 HB3 LYS 25 2HB LYS 25 -7.422 2.038 -9.924
162 HG2 LYS 25 1HG LYS 25 -6.447 0.352 -11.720
163 HG3 LYS 25 2HG LYS 25 -8.152 -0.079 -11.865
164 HD2 LYS 25 1HD LYS 25 -8.747 2.172 -12.406
165 HD3 LYS 25 2HD LYS 25 -7.123 2.750 -12.025
166 HE2 LYS 25 1HE LYS 25 -7.140 2.643 -14.353
167 HE3 LYS 25 2HE LYS 25 -6.342 1.146 -13.873
168 HZ1 LYS 25 3HZ LYS 25 -8.884 0.358 -13.961
169 HZ2 LYS 25 1HZ LYS 25 -7.826 0.246 -15.277
170 HZ3 LYS 25 2HZ LYS 25 -8.906 1.544 -15.167
171 H SER 26 H SER 26 -8.323 0.955 -7.317
172 HA SER 26 HA SER 26 -7.190 3.053 -6.131
173 HB2 SER 26 1HB SER 26 -8.464 0.668 -4.792
174 HB3 SER 26 2HB SER 26 -8.003 2.114 -3.895
175 HG SER 26 HG SER 26 -9.560 3.229 -4.850
176 H SER 27 H SER 27 -6.132 -0.286 -5.632
177 HA SER 27 HA SER 27 -4.064 0.440 -3.780
178 HB2 SER 27 1HB SER 27 -4.715 -2.119 -5.245
179 HB3 SER 27 2HB SER 27 -3.327 -1.967 -4.168
180 HG SER 27 HG SER 27 -4.904 -2.672 -2.859
181 H LEU 28 H LEU 28 -4.058 -0.769 -7.133
182 HA LEU 28 HA LEU 28 -1.338 -0.656 -7.616
183 HB2 LEU 28 1HB LEU 28 -2.689 -1.692 -9.231
184 HB3 LEU 28 2HB LEU 28 -3.716 -0.271 -9.405
185 HG LEU 28 HG LEU 28 -1.679 0.880 -10.414
186 HD11 LEU 28 1HD1 LEU 28 -0.569 -1.723 -9.819
187 HD12 LEU 28 2HD1 LEU 28 0.241 -0.231 -10.294
188 HD13 LEU 28 3HD1 LEU 28 -0.404 -1.315 -11.527
189 HD21 LEU 28 3HD2 LEU 28 -3.588 0.163 -11.740
190 HD22 LEU 28 1HD2 LEU 28 -2.920 -1.465 -11.849
191 HD23 LEU 28 2HD2 LEU 28 -2.083 -0.116 -12.618
192 H ILE 29 H ILE 29 -3.721 1.865 -8.458
193 HA ILE 29 HA ILE 29 -2.134 3.825 -9.431
194 HB ILE 29 HB ILE 29 -4.361 4.254 -7.434
195 HG12 ILE 29 1HG1 ILE 29 -4.653 4.553 -10.397
196 HG13 ILE 29 2HG1 ILE 29 -4.694 2.938 -9.697
197 HG21 ILE 29 1HG2 ILE 29 -3.321 6.316 -7.539
198 HG22 ILE 29 2HG2 ILE 29 -2.847 6.107 -9.224
199 HG23 ILE 29 3HG2 ILE 29 -4.529 6.444 -8.818
200 HD11 ILE 29 3HD1 ILE 29 -6.438 5.087 -8.585
201 HD12 ILE 29 1HD1 ILE 29 -6.897 4.244 -10.065
202 HD13 ILE 29 2HD1 ILE 29 -6.661 3.338 -8.570
203 H CYS 30 H CYS 30 -2.784 3.346 -5.958
204 HA CYS 30 HA CYS 30 -1.223 5.365 -4.927
205 HB2 CYS 30 1HB CYS 30 -2.715 3.904 -3.591
206 HB3 CYS 30 2HB CYS 30 -1.551 2.595 -3.757
207 HG CYS 30 HG CYS 30 -1.709 4.805 -1.421
208 H HIS 31 H HIS 31 -0.233 2.245 -6.179
209 HA HIS 31 HA HIS 31 2.508 2.585 -5.308
210 HB2 HIS 31 1HB HIS 31 1.914 0.338 -5.276
211 HB3 HIS 31 2HB HIS 31 0.996 0.454 -6.774
212 HD1 HIS 31 HD1 HIS 31 4.091 -0.798 -5.503
213 HD2 HIS 31 HD2 HIS 31 2.865 0.915 -9.084
214 HE1 HIS 31 HE1 HIS 31 5.841 -1.441 -7.191
215 H ARG 32 H ARG 32 0.597 3.451 -7.992
216 HA ARG 32 HA ARG 32 2.739 3.514 -9.917
217 HB2 ARG 32 1HB ARG 32 -0.101 4.524 -9.937
218 HB3 ARG 32 2HB ARG 32 1.011 4.825 -11.266
219 HG2 ARG 32 1HG ARG 32 1.333 2.293 -11.338
220 HG3 ARG 32 2HG ARG 32 -0.102 2.212 -10.314
221 HD2 ARG 32 1HD ARG 32 -1.037 2.035 -12.407
222 HD3 ARG 32 2HD ARG 32 -1.132 3.775 -12.135
223 HE ARG 32 HE ARG 32 1.296 3.177 -13.412
224 HH11 ARG 32 1HH1 ARG 32 -2.127 3.221 -14.044
225 HH12 ARG 32 2HH1 ARG 32 -1.943 3.527 -15.739
226 HH21 ARG 32 1HH2 ARG 32 1.552 3.579 -15.643
227 HH22 ARG 32 2HH2 ARG 32 0.151 3.729 -16.648
228 H ARG 33 H ARG 33 0.999 5.865 -7.926
229 HA ARG 33 HA ARG 33 2.375 8.136 -8.965
230 HB2 ARG 33 1HB ARG 33 1.151 9.398 -7.451
231 HB3 ARG 33 2HB ARG 33 0.106 8.007 -7.701
232 HG2 ARG 33 1HG ARG 33 0.741 7.048 -5.623
233 HG3 ARG 33 2HG ARG 33 2.039 8.226 -5.410
234 HD2 ARG 33 1HD ARG 33 0.396 9.093 -4.047
235 HD3 ARG 33 2HD ARG 33 0.107 9.967 -5.551
236 HE ARG 33 HE ARG 33 -1.425 7.556 -5.353
237 HH11 ARG 33 1HH1 ARG 33 -1.289 10.912 -4.435
238 HH12 ARG 33 2HH1 ARG 33 -3.006 11.066 -4.254
239 HH21 ARG 33 1HH2 ARG 33 -3.685 7.747 -5.118
240 HH22 ARG 33 2HH2 ARG 33 -4.367 9.265 -4.642
241 H SER 34 H SER 34 2.869 5.969 -6.242
242 HA SER 34 HA SER 34 4.738 7.406 -4.782
243 HB2 SER 34 1HB SER 34 4.342 4.451 -5.205
244 HB3 SER 34 2HB SER 34 5.633 5.061 -4.171
245 HG SER 34 HG SER 34 3.580 4.579 -3.106
246 H HIS 35 H HIS 35 5.211 5.326 -7.603
247 HA HIS 35 HA HIS 35 7.885 5.034 -7.784
248 HB2 HIS 35 1HB HIS 35 5.784 5.553 -9.829
249 HB3 HIS 35 2HB HIS 35 7.464 5.645 -10.349
250 HD1 HIS 35 HD1 HIS 35 8.898 3.376 -9.537
251 HD2 HIS 35 HD2 HIS 35 4.786 3.057 -10.034
252 HE1 HIS 35 HE1 HIS 35 8.443 0.918 -9.808
253 H THR 36 H THR 36 6.114 7.994 -8.611
254 HA THR 36 HA THR 36 8.613 9.416 -9.080
255 HB THR 36 HB THR 36 7.145 11.341 -9.660
256 HG1 THR 36 HG1 THR 36 5.087 11.252 -9.187
257 HG21 THR 36 3HG2 THR 36 6.020 9.113 -11.252
258 HG22 THR 36 1HG2 THR 36 7.778 9.224 -11.184
259 HG23 THR 36 2HG2 THR 36 6.831 10.587 -11.781
260 H GLY 37 H GLY 37 9.628 9.843 -7.188
261 HA2 GLY 37 1HA GLY 37 9.292 11.930 -5.619
262 HA3 GLY 37 2HA GLY 37 8.073 10.867 -4.930
263 H GLU 38 H GLU 38 8.791 8.803 -4.055
264 HA GLU 38 HA GLU 38 10.977 9.081 -2.328
265 HB2 GLU 38 1HB GLU 38 8.959 7.532 -2.101
266 HB3 GLU 38 2HB GLU 38 9.813 6.434 -3.177
267 HG2 GLU 38 1HG GLU 38 10.713 7.377 -0.467
268 HG3 GLU 38 2HG GLU 38 10.174 5.758 -0.908
269 H LYS 39 H LYS 39 12.892 9.532 -3.342
270 HA LYS 39 HA LYS 39 14.261 7.281 -4.528
271 HB2 LYS 39 1HB LYS 39 14.941 8.490 -6.558
272 HB3 LYS 39 2HB LYS 39 13.199 8.254 -6.497
273 HG2 LYS 39 1HG LYS 39 13.286 10.430 -7.159
274 HG3 LYS 39 2HG LYS 39 13.246 10.648 -5.408
275 HD2 LYS 39 1HD LYS 39 15.008 12.008 -5.911
276 HD3 LYS 39 2HD LYS 39 15.875 10.485 -5.699
277 HE2 LYS 39 1HE LYS 39 16.724 11.304 -7.701
278 HE3 LYS 39 2HE LYS 39 15.485 10.167 -8.227
279 HZ1 LYS 39 3HZ LYS 39 14.131 12.503 -7.988
280 HZ2 LYS 39 1HZ LYS 39 14.722 11.857 -9.435
281 HZ3 LYS 39 2HZ LYS 39 15.628 13.009 -8.592
282 HA PRO 40 HA PRO 40 17.611 9.121 -2.347
283 HB2 PRO 40 1HB PRO 40 19.680 7.898 -3.609
284 HB3 PRO 40 2HB PRO 40 18.624 7.062 -2.464
285 HG2 PRO 40 1HG PRO 40 18.556 7.053 -5.457
286 HG3 PRO 40 2HG PRO 40 18.359 5.699 -4.329
287 HD2 PRO 40 1HD PRO 40 16.257 6.917 -5.526
288 HD3 PRO 40 2HD PRO 40 16.154 6.216 -3.898
289 H SER 41 H SER 41 18.081 11.209 -2.656
290 HA SER 41 HA SER 41 19.888 12.015 -4.707
291 HB2 SER 41 1HB SER 41 17.474 11.941 -5.756
292 HB3 SER 41 2HB SER 41 17.274 13.466 -4.893
293 HG SER 41 HG SER 41 18.157 13.460 -7.164
294 H GLY 42 H GLY 42 20.590 14.225 -4.466
295 HA2 GLY 42 1HA GLY 42 19.909 15.325 -1.807
296 HA3 GLY 42 2HA GLY 42 21.524 15.386 -2.498
297 HA PRO 43 HA PRO 43 18.678 18.564 -4.843
298 HB2 PRO 43 1HB PRO 43 16.520 19.388 -3.417
299 HB3 PRO 43 2HB PRO 43 16.462 18.032 -4.549
300 HG2 PRO 43 1HG PRO 43 16.730 17.999 -1.568
301 HG3 PRO 43 2HG PRO 43 15.729 16.974 -2.613
302 HD2 PRO 43 1HD PRO 43 18.093 16.142 -1.589
303 HD3 PRO 43 2HD PRO 43 17.494 15.602 -3.170
304 H SER 44 H SER 44 20.052 18.452 -1.854
305 HA SER 44 HA SER 44 19.677 21.179 -1.031
306 HB2 SER 44 1HB SER 44 21.678 19.099 -0.114
307 HB3 SER 44 2HB SER 44 21.404 20.657 0.665
308 HG SER 44 HG SER 44 19.398 20.004 1.278
309 H SER 45 H SER 45 20.441 21.301 -3.618
310 HA SER 45 HA SER 45 22.068 21.970 -5.104
311 HB2 SER 45 1HB SER 45 23.146 24.084 -4.387
312 HB3 SER 45 2HB SER 45 21.420 24.060 -4.024
313 HG SER 45 HG SER 45 22.425 24.779 -2.200
314 H GLY 46 H GLY 46 22.955 19.664 -3.985
315 HA2 GLY 46 1HA GLY 46 25.811 20.007 -4.153
316 HA3 GLY 46 2HA GLY 46 25.265 19.523 -2.554
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.129 -30.477 -4.101
2 HA2 GLY 1 1HA GLY 1 1.273 -29.441 -1.779
3 HA3 GLY 1 2HA GLY 1 1.552 -31.092 -1.246
4 H SER 2 H SER 2 2.829 -28.673 -3.522
5 HA SER 2 HA SER 2 5.535 -29.605 -2.824
6 HB2 SER 2 1HB SER 2 6.234 -29.121 -5.149
7 HB3 SER 2 2HB SER 2 5.001 -30.381 -5.080
8 HG SER 2 HG SER 2 4.121 -27.755 -5.359
9 H SER 3 H SER 3 7.228 -27.937 -3.353
10 HA SER 3 HA SER 3 6.815 -25.609 -1.931
11 HB2 SER 3 1HB SER 3 8.831 -26.297 -4.065
12 HB3 SER 3 2HB SER 3 8.864 -24.753 -3.214
13 HG SER 3 HG SER 3 8.717 -26.339 -1.277
14 H GLY 4 H GLY 4 6.800 -26.004 -5.473
15 HA2 GLY 4 1HA GLY 4 5.809 -23.287 -5.805
16 HA3 GLY 4 2HA GLY 4 6.245 -24.403 -7.090
17 H SER 5 H SER 5 3.762 -22.714 -6.162
18 HA SER 5 HA SER 5 1.835 -24.399 -7.392
19 HB2 SER 5 1HB SER 5 1.752 -25.569 -5.301
20 HB3 SER 5 2HB SER 5 1.687 -24.060 -4.391
21 HG SER 5 HG SER 5 -0.357 -23.683 -5.498
22 H SER 6 H SER 6 0.509 -23.072 -8.426
23 HA SER 6 HA SER 6 -0.556 -21.169 -9.087
24 HB2 SER 6 1HB SER 6 -1.953 -21.803 -7.129
25 HB3 SER 6 2HB SER 6 -0.949 -20.771 -6.111
26 HG SER 6 HG SER 6 -2.224 -19.762 -8.417
27 H GLY 7 H GLY 7 2.209 -20.902 -8.945
28 HA2 GLY 7 1HA GLY 7 2.569 -18.179 -7.867
29 HA3 GLY 7 2HA GLY 7 3.870 -19.334 -8.118
30 H THR 8 H THR 8 1.277 -17.812 -10.039
31 HA THR 8 HA THR 8 3.256 -17.416 -12.188
32 HB THR 8 HB THR 8 1.372 -17.401 -13.774
33 HG1 THR 8 HG1 THR 8 -0.172 -18.065 -11.469
34 HG21 THR 8 3HG2 THR 8 1.835 -19.568 -13.989
35 HG22 THR 8 1HG2 THR 8 0.652 -19.928 -12.733
36 HG23 THR 8 2HG2 THR 8 2.340 -19.654 -12.302
37 H GLY 9 H GLY 9 0.437 -15.990 -10.568
38 HA2 GLY 9 1HA GLY 9 0.221 -13.733 -9.960
39 HA3 GLY 9 2HA GLY 9 1.567 -13.342 -11.019
40 H GLN 10 H GLN 10 -1.840 -14.318 -11.033
41 HA GLN 10 HA GLN 10 -2.136 -12.920 -13.609
42 HB2 GLN 10 1HB GLN 10 -2.648 -15.494 -13.303
43 HB3 GLN 10 2HB GLN 10 -4.167 -14.889 -12.655
44 HG2 GLN 10 1HG GLN 10 -4.149 -13.470 -14.875
45 HG3 GLN 10 2HG GLN 10 -3.102 -14.778 -15.422
46 HE21 GLN 10 1HE2 GLN 10 -5.927 -13.914 -16.055
47 HE22 GLN 10 2HE2 GLN 10 -6.855 -15.363 -15.908
48 H ARG 11 H ARG 11 -2.588 -10.887 -12.810
49 HA ARG 11 HA ARG 11 -5.126 -10.654 -11.332
50 HB2 ARG 11 1HB ARG 11 -2.658 -8.929 -11.053
51 HB3 ARG 11 2HB ARG 11 -4.207 -8.592 -10.292
52 HG2 ARG 11 1HG ARG 11 -2.804 -11.190 -9.816
53 HG3 ARG 11 2HG ARG 11 -2.365 -9.739 -8.914
54 HD2 ARG 11 1HD ARG 11 -3.954 -10.576 -7.512
55 HD3 ARG 11 2HD ARG 11 -4.985 -9.608 -8.565
56 HE ARG 11 HE ARG 11 -4.885 -12.089 -9.732
57 HH11 ARG 11 1HH1 ARG 11 -5.843 -10.814 -6.638
58 HH12 ARG 11 2HH1 ARG 11 -7.038 -12.037 -6.358
59 HH21 ARG 11 1HH2 ARG 11 -6.455 -13.705 -9.375
60 HH22 ARG 11 2HH2 ARG 11 -7.385 -13.681 -7.915
61 HA PRO 12 HA PRO 12 -6.565 -8.098 -14.602
62 HB2 PRO 12 1HB PRO 12 -8.298 -6.501 -13.254
63 HB3 PRO 12 2HB PRO 12 -8.629 -8.203 -13.598
64 HG2 PRO 12 1HG PRO 12 -7.614 -6.941 -11.080
65 HG3 PRO 12 2HG PRO 12 -8.838 -8.208 -11.282
66 HD2 PRO 12 1HD PRO 12 -6.283 -8.751 -10.565
67 HD3 PRO 12 2HD PRO 12 -7.259 -9.867 -11.542
68 H TYR 13 H TYR 13 -5.065 -6.697 -11.800
69 HA TYR 13 HA TYR 13 -4.410 -4.305 -13.388
70 HB2 TYR 13 1HB TYR 13 -4.788 -4.323 -10.391
71 HB3 TYR 13 2HB TYR 13 -4.547 -2.922 -11.429
72 HD1 TYR 13 HD2 TYR 13 -6.365 -2.171 -12.933
73 HD2 TYR 13 HD1 TYR 13 -6.949 -5.310 -10.121
74 HE1 TYR 13 HE2 TYR 13 -8.801 -1.921 -13.169
75 HE2 TYR 13 HE1 TYR 13 -9.386 -5.070 -10.350
76 HH TYR 13 HH TYR 13 -11.034 -3.640 -11.098
77 H GLU 14 H GLU 14 -2.312 -4.184 -13.791
78 HA GLU 14 HA GLU 14 -0.408 -5.022 -11.725
79 HB2 GLU 14 1HB GLU 14 -0.363 -5.886 -14.618
80 HB3 GLU 14 2HB GLU 14 1.012 -6.045 -13.535
81 HG2 GLU 14 1HG GLU 14 0.013 -7.697 -12.283
82 HG3 GLU 14 2HG GLU 14 -1.615 -7.218 -12.758
83 H CYS 15 H CYS 15 1.527 -3.895 -11.697
84 HA CYS 15 HA CYS 15 1.463 -1.334 -13.053
85 HB2 CYS 15 1HB CYS 15 2.069 -1.202 -10.765
86 HB3 CYS 15 2HB CYS 15 3.229 -2.517 -10.916
87 H ILE 16 H ILE 16 2.971 -0.576 -14.508
88 HA ILE 16 HA ILE 16 4.569 -2.651 -15.830
89 HB ILE 16 HB ILE 16 3.765 0.076 -16.851
90 HG12 ILE 16 1HG1 ILE 16 2.439 -1.518 -18.466
91 HG13 ILE 16 2HG1 ILE 16 2.583 -2.662 -17.136
92 HG21 ILE 16 1HG2 ILE 16 4.799 -0.421 -18.860
93 HG22 ILE 16 2HG2 ILE 16 5.930 -1.084 -17.682
94 HG23 ILE 16 3HG2 ILE 16 4.822 -2.155 -18.539
95 HD11 ILE 16 3HD1 ILE 16 1.715 -0.310 -15.947
96 HD12 ILE 16 1HD1 ILE 16 0.806 -0.420 -17.453
97 HD13 ILE 16 2HD1 ILE 16 0.754 -1.747 -16.293
98 H GLU 17 H GLU 17 4.787 0.527 -14.344
99 HA GLU 17 HA GLU 17 7.257 1.415 -15.034
100 HB2 GLU 17 1HB GLU 17 5.724 1.514 -12.476
101 HB3 GLU 17 2HB GLU 17 7.393 2.064 -12.466
102 HG2 GLU 17 1HG GLU 17 6.265 4.014 -12.881
103 HG3 GLU 17 2HG GLU 17 6.663 3.483 -14.514
104 H CYS 18 H CYS 18 6.600 -0.930 -12.436
105 HA CYS 18 HA CYS 18 9.432 -1.732 -12.567
106 HB2 CYS 18 1HB CYS 18 9.106 -2.574 -10.236
107 HB3 CYS 18 2HB CYS 18 8.926 -0.829 -10.391
108 H GLY 19 H GLY 19 6.117 -2.926 -12.154
109 HA2 GLY 19 1HA GLY 19 5.464 -4.841 -13.539
110 HA3 GLY 19 2HA GLY 19 7.045 -5.528 -13.200
111 H LYS 20 H LYS 20 4.095 -4.429 -11.543
112 HA LYS 20 HA LYS 20 4.350 -6.757 -9.763
113 HB2 LYS 20 1HB LYS 20 3.919 -3.883 -9.040
114 HB3 LYS 20 2HB LYS 20 3.208 -5.141 -8.037
115 HG2 LYS 20 1HG LYS 20 6.114 -5.227 -8.730
116 HG3 LYS 20 2HG LYS 20 5.530 -4.191 -7.426
117 HD2 LYS 20 1HD LYS 20 4.336 -6.329 -6.585
118 HD3 LYS 20 2HD LYS 20 5.465 -7.180 -7.642
119 HE2 LYS 20 1HE LYS 20 7.330 -6.432 -6.436
120 HE3 LYS 20 2HE LYS 20 6.411 -5.158 -5.636
121 HZ1 LYS 20 3HZ LYS 20 5.095 -7.297 -4.788
122 HZ2 LYS 20 1HZ LYS 20 6.419 -6.644 -3.961
123 HZ3 LYS 20 2HZ LYS 20 6.631 -7.981 -4.976
124 H ALA 21 H ALA 21 2.147 -6.884 -8.432
125 HA ALA 21 HA ALA 21 -0.096 -6.403 -10.269
126 HB1 ALA 21 3HB ALA 21 0.736 -8.754 -10.464
127 HB2 ALA 21 1HB ALA 21 0.282 -8.991 -8.776
128 HB3 ALA 21 2HB ALA 21 -0.952 -8.609 -9.977
129 H PHE 22 H PHE 22 -2.067 -5.987 -9.309
130 HA PHE 22 HA PHE 22 -2.152 -5.964 -6.373
131 HB2 PHE 22 1HB PHE 22 -2.953 -3.686 -8.194
132 HB3 PHE 22 2HB PHE 22 -3.304 -3.753 -6.470
133 HD1 PHE 22 HD2 PHE 22 -0.520 -3.732 -8.919
134 HD2 PHE 22 HD1 PHE 22 -1.745 -3.010 -4.907
135 HE1 PHE 22 HE2 PHE 22 1.667 -2.713 -8.439
136 HE2 PHE 22 HE1 PHE 22 0.440 -1.988 -4.421
137 HZ PHE 22 HZ PHE 22 2.149 -1.840 -6.187
138 H LYS 23 H LYS 23 -4.449 -5.538 -5.589
139 HA LYS 23 HA LYS 23 -6.169 -7.467 -6.806
140 HB2 LYS 23 1HB LYS 23 -5.917 -6.705 -4.290
141 HB3 LYS 23 2HB LYS 23 -7.158 -5.544 -4.743
142 HG2 LYS 23 1HG LYS 23 -7.455 -8.497 -5.202
143 HG3 LYS 23 2HG LYS 23 -7.960 -7.700 -3.711
144 HD2 LYS 23 1HD LYS 23 -9.350 -6.159 -5.146
145 HD3 LYS 23 2HD LYS 23 -8.994 -7.233 -6.501
146 HE2 LYS 23 1HE LYS 23 -9.974 -9.107 -5.227
147 HE3 LYS 23 2HE LYS 23 -10.388 -7.984 -3.933
148 HZ1 LYS 23 3HZ LYS 23 -11.996 -8.626 -5.999
149 HZ2 LYS 23 1HZ LYS 23 -11.324 -7.167 -6.531
150 HZ3 LYS 23 2HZ LYS 23 -12.148 -7.230 -5.055
151 H THR 24 H THR 24 -6.444 -3.952 -6.288
152 HA THR 24 HA THR 24 -8.155 -3.820 -8.674
153 HB THR 24 HB THR 24 -9.571 -3.715 -6.620
154 HG1 THR 24 HG1 THR 24 -10.438 -1.494 -7.292
155 HG21 THR 24 3HG2 THR 24 -8.017 -2.602 -5.119
156 HG22 THR 24 1HG2 THR 24 -9.494 -1.651 -5.269
157 HG23 THR 24 2HG2 THR 24 -8.037 -1.159 -6.133
158 H LYS 25 H LYS 25 -8.577 -1.244 -9.002
159 HA LYS 25 HA LYS 25 -6.027 -0.218 -9.751
160 HB2 LYS 25 1HB LYS 25 -8.854 0.679 -9.986
161 HB3 LYS 25 2HB LYS 25 -7.602 1.906 -10.133
162 HG2 LYS 25 1HG LYS 25 -6.567 0.185 -11.826
163 HG3 LYS 25 2HG LYS 25 -8.234 -0.387 -11.918
164 HD2 LYS 25 1HD LYS 25 -7.499 2.511 -12.250
165 HD3 LYS 25 2HD LYS 25 -7.534 1.382 -13.606
166 HE2 LYS 25 1HE LYS 25 -9.900 0.846 -12.976
167 HE3 LYS 25 2HE LYS 25 -9.823 2.164 -11.808
168 HZ1 LYS 25 3HZ LYS 25 -10.816 2.758 -13.998
169 HZ2 LYS 25 1HZ LYS 25 -9.298 2.518 -14.705
170 HZ3 LYS 25 2HZ LYS 25 -9.507 3.729 -13.543
171 H SER 26 H SER 26 -8.350 0.558 -7.205
172 HA SER 26 HA SER 26 -7.367 2.899 -6.203
173 HB2 SER 26 1HB SER 26 -8.436 0.492 -4.722
174 HB3 SER 26 2HB SER 26 -8.097 2.031 -3.931
175 HG SER 26 HG SER 26 -9.959 2.674 -4.626
176 H SER 27 H SER 27 -6.118 -0.359 -5.595
177 HA SER 27 HA SER 27 -4.060 0.534 -3.818
178 HB2 SER 27 1HB SER 27 -5.157 -1.822 -4.008
179 HB3 SER 27 2HB SER 27 -3.967 -2.089 -5.281
180 HG SER 27 HG SER 27 -3.555 -2.453 -2.784
181 H LEU 28 H LEU 28 -4.018 -0.752 -7.143
182 HA LEU 28 HA LEU 28 -1.314 -0.436 -7.659
183 HB2 LEU 28 1HB LEU 28 -2.582 -1.658 -9.210
184 HB3 LEU 28 2HB LEU 28 -3.731 -0.340 -9.433
185 HG LEU 28 HG LEU 28 -1.812 0.938 -10.516
186 HD11 LEU 28 1HD1 LEU 28 -0.140 -0.797 -9.568
187 HD12 LEU 28 2HD1 LEU 28 0.110 -0.156 -11.192
188 HD13 LEU 28 3HD1 LEU 28 -0.599 -1.756 -10.975
189 HD21 LEU 28 3HD2 LEU 28 -3.402 0.288 -12.030
190 HD22 LEU 28 1HD2 LEU 28 -3.239 -1.423 -11.636
191 HD23 LEU 28 2HD2 LEU 28 -2.014 -0.625 -12.622
192 H ILE 29 H ILE 29 -3.880 1.798 -8.741
193 HA ILE 29 HA ILE 29 -2.530 3.847 -9.776
194 HB ILE 29 HB ILE 29 -4.712 4.157 -7.711
195 HG12 ILE 29 1HG1 ILE 29 -4.982 4.255 -10.712
196 HG13 ILE 29 2HG1 ILE 29 -5.126 2.748 -9.814
197 HG21 ILE 29 1HG2 ILE 29 -3.293 6.207 -8.253
198 HG22 ILE 29 2HG2 ILE 29 -4.012 6.132 -9.861
199 HG23 ILE 29 3HG2 ILE 29 -5.039 6.360 -8.446
200 HD11 ILE 29 3HD1 ILE 29 -6.796 5.131 -9.121
201 HD12 ILE 29 1HD1 ILE 29 -7.261 4.020 -10.409
202 HD13 ILE 29 2HD1 ILE 29 -7.081 3.429 -8.757
203 H CYS 30 H CYS 30 -3.046 3.572 -6.256
204 HA CYS 30 HA CYS 30 -1.514 5.741 -5.467
205 HB2 CYS 30 1HB CYS 30 -2.225 3.148 -4.133
206 HB3 CYS 30 2HB CYS 30 -1.147 4.286 -3.334
207 HG CYS 30 HG CYS 30 -3.005 5.737 -2.336
208 H HIS 31 H HIS 31 -0.493 2.354 -5.849
209 HA HIS 31 HA HIS 31 2.181 2.695 -5.114
210 HB2 HIS 31 1HB HIS 31 1.548 0.469 -5.248
211 HB3 HIS 31 2HB HIS 31 0.712 0.691 -6.782
212 HD1 HIS 31 HD1 HIS 31 4.269 0.608 -5.450
213 HD2 HIS 31 HD2 HIS 31 2.140 -0.117 -8.943
214 HE1 HIS 31 HE1 HIS 31 5.942 -0.337 -7.073
215 H ARG 32 H ARG 32 0.713 2.738 -8.358
216 HA ARG 32 HA ARG 32 2.818 3.065 -9.997
217 HB2 ARG 32 1HB ARG 32 0.132 4.386 -9.977
218 HB3 ARG 32 2HB ARG 32 1.315 4.859 -11.189
219 HG2 ARG 32 1HG ARG 32 1.340 2.736 -12.164
220 HG3 ARG 32 2HG ARG 32 0.579 1.987 -10.758
221 HD2 ARG 32 1HD ARG 32 -1.520 2.863 -11.280
222 HD3 ARG 32 2HD ARG 32 -0.844 4.090 -12.349
223 HE ARG 32 HE ARG 32 -1.623 1.462 -13.069
224 HH11 ARG 32 1HH1 ARG 32 0.775 3.901 -13.720
225 HH12 ARG 32 2HH1 ARG 32 1.085 3.351 -15.333
226 HH21 ARG 32 1HH2 ARG 32 -1.224 0.729 -15.192
227 HH22 ARG 32 2HH2 ARG 32 -0.054 1.548 -16.170
228 H ARG 33 H ARG 33 1.318 5.749 -8.194
229 HA ARG 33 HA ARG 33 3.049 7.768 -9.011
230 HB2 ARG 33 1HB ARG 33 2.066 7.797 -6.200
231 HB3 ARG 33 2HB ARG 33 2.062 9.079 -7.404
232 HG2 ARG 33 1HG ARG 33 0.267 7.724 -8.600
233 HG3 ARG 33 2HG ARG 33 0.146 6.793 -7.105
234 HD2 ARG 33 1HD ARG 33 -0.004 9.782 -7.051
235 HD3 ARG 33 2HD ARG 33 -1.424 8.825 -7.474
236 HE ARG 33 HE ARG 33 -1.575 8.114 -5.284
237 HH11 ARG 33 1HH1 ARG 33 1.411 9.831 -5.786
238 HH12 ARG 33 2HH1 ARG 33 1.782 9.944 -4.097
239 HH21 ARG 33 1HH2 ARG 33 -1.099 8.256 -3.058
240 HH22 ARG 33 2HH2 ARG 33 0.353 9.047 -2.546
241 H SER 34 H SER 34 3.380 5.389 -6.437
242 HA SER 34 HA SER 34 5.391 6.282 -4.891
243 HB2 SER 34 1HB SER 34 4.344 3.988 -4.818
244 HB3 SER 34 2HB SER 34 5.450 3.513 -6.107
245 HG SER 34 HG SER 34 7.155 3.775 -4.750
246 H HIS 35 H HIS 35 5.635 5.468 -8.261
247 HA HIS 35 HA HIS 35 8.529 5.540 -8.279
248 HB2 HIS 35 1HB HIS 35 6.602 5.467 -10.610
249 HB3 HIS 35 2HB HIS 35 8.333 5.151 -10.675
250 HD1 HIS 35 HD1 HIS 35 9.141 2.929 -9.422
251 HD2 HIS 35 HD2 HIS 35 5.046 3.294 -10.023
252 HE1 HIS 35 HE1 HIS 35 8.203 0.619 -9.088
253 H THR 36 H THR 36 7.764 7.859 -7.199
254 HA THR 36 HA THR 36 7.193 9.997 -8.902
255 HB THR 36 HB THR 36 8.307 11.424 -7.145
256 HG1 THR 36 HG1 THR 36 8.768 10.113 -5.167
257 HG21 THR 36 3HG2 THR 36 5.907 10.045 -7.082
258 HG22 THR 36 1HG2 THR 36 6.359 11.397 -6.045
259 HG23 THR 36 2HG2 THR 36 6.608 9.741 -5.493
260 H GLY 37 H GLY 37 10.351 8.790 -7.774
261 HA2 GLY 37 1HA GLY 37 11.555 9.954 -10.189
262 HA3 GLY 37 2HA GLY 37 12.243 10.351 -8.621
263 H GLU 38 H GLU 38 11.570 7.697 -10.850
264 HA GLU 38 HA GLU 38 13.016 5.727 -9.417
265 HB2 GLU 38 1HB GLU 38 12.139 5.945 -12.291
266 HB3 GLU 38 2HB GLU 38 13.047 4.563 -11.696
267 HG2 GLU 38 1HG GLU 38 11.292 4.059 -10.104
268 HG3 GLU 38 2HG GLU 38 10.390 5.483 -10.621
269 H LYS 39 H LYS 39 15.127 5.262 -9.346
270 HA LYS 39 HA LYS 39 16.920 6.548 -11.289
271 HB2 LYS 39 1HB LYS 39 16.741 7.573 -8.853
272 HB3 LYS 39 2HB LYS 39 17.821 6.242 -8.459
273 HG2 LYS 39 1HG LYS 39 19.453 7.033 -10.040
274 HG3 LYS 39 2HG LYS 39 18.353 8.297 -10.594
275 HD2 LYS 39 1HD LYS 39 19.880 9.336 -9.107
276 HD3 LYS 39 2HD LYS 39 18.358 9.174 -8.228
277 HE2 LYS 39 1HE LYS 39 19.364 6.953 -7.370
278 HE3 LYS 39 2HE LYS 39 20.903 7.625 -7.906
279 HZ1 LYS 39 3HZ LYS 39 20.617 8.164 -5.624
280 HZ2 LYS 39 1HZ LYS 39 19.058 8.768 -5.884
281 HZ3 LYS 39 2HZ LYS 39 20.399 9.594 -6.501
282 HA PRO 40 HA PRO 40 17.758 2.017 -11.094
283 HB2 PRO 40 1HB PRO 40 18.193 1.766 -13.762
284 HB3 PRO 40 2HB PRO 40 16.581 1.693 -13.040
285 HG2 PRO 40 1HG PRO 40 17.945 3.984 -14.401
286 HG3 PRO 40 2HG PRO 40 16.268 3.428 -14.556
287 HD2 PRO 40 1HD PRO 40 16.964 5.547 -13.020
288 HD3 PRO 40 2HD PRO 40 15.608 4.476 -12.612
289 H SER 41 H SER 41 19.700 0.829 -11.941
290 HA SER 41 HA SER 41 22.055 2.492 -11.557
291 HB2 SER 41 1HB SER 41 21.673 -0.504 -11.698
292 HB3 SER 41 2HB SER 41 23.247 0.268 -11.510
293 HG SER 41 HG SER 41 22.770 0.190 -9.463
294 H GLY 42 H GLY 42 21.842 3.584 -13.631
295 HA2 GLY 42 1HA GLY 42 22.493 3.928 -15.804
296 HA3 GLY 42 2HA GLY 42 23.587 2.572 -15.574
297 HA PRO 43 HA PRO 43 19.737 1.595 -18.308
298 HB2 PRO 43 1HB PRO 43 20.597 2.385 -20.759
299 HB3 PRO 43 2HB PRO 43 19.665 3.434 -19.684
300 HG2 PRO 43 1HG PRO 43 22.619 3.356 -20.161
301 HG3 PRO 43 2HG PRO 43 21.547 4.760 -20.013
302 HD2 PRO 43 1HD PRO 43 23.109 3.900 -17.976
303 HD3 PRO 43 2HD PRO 43 21.528 4.662 -17.711
304 H SER 44 H SER 44 23.068 1.052 -18.177
305 HA SER 44 HA SER 44 23.682 -0.636 -20.243
306 HB2 SER 44 1HB SER 44 25.333 -1.662 -18.788
307 HB3 SER 44 2HB SER 44 25.254 0.065 -18.440
308 HG SER 44 HG SER 44 23.591 -1.602 -16.959
309 H SER 45 H SER 45 23.452 -2.811 -20.693
310 HA SER 45 HA SER 45 21.258 -4.141 -19.262
311 HB2 SER 45 1HB SER 45 21.195 -5.601 -21.350
312 HB3 SER 45 2HB SER 45 20.726 -3.915 -21.571
313 HG SER 45 HG SER 45 22.312 -3.714 -22.919
314 H GLY 46 H GLY 46 21.454 -6.659 -19.490
315 HA2 GLY 46 1HA GLY 46 23.877 -7.988 -19.600
316 HA3 GLY 46 2HA GLY 46 23.723 -7.419 -17.944
Start of MODEL 7
1 H1 GLY 1 H GLY 1 17.099 -2.877 -10.376
2 HA2 GLY 1 1HA GLY 1 16.072 -5.111 -9.363
3 HA3 GLY 1 2HA GLY 1 15.016 -3.863 -10.007
4 H SER 2 H SER 2 14.073 -4.131 -12.041
5 HA SER 2 HA SER 2 13.021 -5.335 -13.662
6 HB2 SER 2 1HB SER 2 15.435 -5.296 -14.486
7 HB3 SER 2 2HB SER 2 15.571 -6.940 -13.864
8 HG SER 2 HG SER 2 13.552 -6.144 -15.683
9 H SER 3 H SER 3 12.338 -6.177 -11.170
10 HA SER 3 HA SER 3 12.367 -9.115 -11.319
11 HB2 SER 3 1HB SER 3 11.960 -9.168 -8.968
12 HB3 SER 3 2HB SER 3 13.221 -7.962 -9.222
13 HG SER 3 HG SER 3 11.624 -6.352 -9.060
14 H GLY 4 H GLY 4 10.678 -7.733 -13.057
15 HA2 GLY 4 1HA GLY 4 8.024 -8.234 -11.856
16 HA3 GLY 4 2HA GLY 4 8.317 -7.019 -13.091
17 H SER 5 H SER 5 8.118 -10.465 -12.447
18 HA SER 5 HA SER 5 8.647 -11.512 -14.943
19 HB2 SER 5 1HB SER 5 6.477 -12.476 -13.065
20 HB3 SER 5 2HB SER 5 7.306 -13.430 -14.296
21 HG SER 5 HG SER 5 8.240 -12.507 -11.820
22 H SER 6 H SER 6 7.577 -11.713 -16.841
23 HA SER 6 HA SER 6 5.107 -10.158 -17.118
24 HB2 SER 6 1HB SER 6 7.299 -9.877 -18.568
25 HB3 SER 6 2HB SER 6 6.610 -11.223 -19.475
26 HG SER 6 HG SER 6 4.721 -9.960 -19.753
27 H GLY 7 H GLY 7 3.348 -10.974 -18.382
28 HA2 GLY 7 1HA GLY 7 2.023 -12.637 -19.337
29 HA3 GLY 7 2HA GLY 7 3.319 -13.791 -19.067
30 H THR 8 H THR 8 0.881 -14.696 -18.565
31 HA THR 8 HA THR 8 -0.553 -15.536 -16.997
32 HB THR 8 HB THR 8 0.541 -16.366 -14.910
33 HG1 THR 8 HG1 THR 8 2.348 -15.448 -14.331
34 HG21 THR 8 3HG2 THR 8 1.301 -17.008 -17.655
35 HG22 THR 8 1HG2 THR 8 0.833 -18.076 -16.333
36 HG23 THR 8 2HG2 THR 8 2.499 -17.512 -16.464
37 H GLY 9 H GLY 9 -0.712 -12.761 -17.150
38 HA2 GLY 9 1HA GLY 9 -0.538 -11.556 -14.560
39 HA3 GLY 9 2HA GLY 9 -1.328 -10.875 -15.975
40 H GLN 10 H GLN 10 -1.729 -13.143 -13.300
41 HA GLN 10 HA GLN 10 -4.403 -13.812 -13.691
42 HB2 GLN 10 1HB GLN 10 -2.802 -14.824 -12.022
43 HB3 GLN 10 2HB GLN 10 -3.090 -13.422 -11.001
44 HG2 GLN 10 1HG GLN 10 -5.594 -14.085 -11.284
45 HG3 GLN 10 2HG GLN 10 -4.924 -15.660 -11.707
46 HE21 GLN 10 1HE2 GLN 10 -4.717 -13.137 -9.232
47 HE22 GLN 10 2HE2 GLN 10 -4.496 -14.217 -7.901
48 H ARG 11 H ARG 11 -3.082 -11.258 -11.579
49 HA ARG 11 HA ARG 11 -5.596 -10.157 -10.916
50 HB2 ARG 11 1HB ARG 11 -2.760 -9.237 -10.697
51 HB3 ARG 11 2HB ARG 11 -4.053 -8.076 -10.430
52 HG2 ARG 11 1HG ARG 11 -3.605 -8.839 -8.300
53 HG3 ARG 11 2HG ARG 11 -4.978 -9.837 -8.783
54 HD2 ARG 11 1HD ARG 11 -3.187 -11.508 -9.594
55 HD3 ARG 11 2HD ARG 11 -2.081 -10.578 -8.583
56 HE ARG 11 HE ARG 11 -4.359 -11.264 -7.084
57 HH11 ARG 11 1HH1 ARG 11 -1.539 -12.719 -8.517
58 HH12 ARG 11 2HH1 ARG 11 -1.453 -14.003 -7.358
59 HH21 ARG 11 1HH2 ARG 11 -4.255 -12.951 -5.551
60 HH22 ARG 11 2HH2 ARG 11 -2.998 -14.135 -5.672
61 HA PRO 12 HA PRO 12 -6.611 -7.910 -14.567
62 HB2 PRO 12 1HB PRO 12 -8.338 -6.119 -13.480
63 HB3 PRO 12 2HB PRO 12 -8.749 -7.820 -13.730
64 HG2 PRO 12 1HG PRO 12 -7.853 -6.435 -11.232
65 HG3 PRO 12 2HG PRO 12 -9.135 -7.641 -11.443
66 HD2 PRO 12 1HD PRO 12 -6.683 -8.275 -10.485
67 HD3 PRO 12 2HD PRO 12 -7.649 -9.403 -11.458
68 H TYR 13 H TYR 13 -5.476 -6.246 -11.687
69 HA TYR 13 HA TYR 13 -4.625 -3.973 -13.351
70 HB2 TYR 13 1HB TYR 13 -4.699 -3.992 -10.340
71 HB3 TYR 13 2HB TYR 13 -4.668 -2.605 -11.424
72 HD1 TYR 13 HD2 TYR 13 -6.758 -2.588 -13.131
73 HD2 TYR 13 HD1 TYR 13 -6.703 -4.452 -9.307
74 HE1 TYR 13 HE2 TYR 13 -9.212 -2.456 -13.038
75 HE2 TYR 13 HE1 TYR 13 -9.157 -4.326 -9.203
76 HH TYR 13 HH TYR 13 -10.978 -3.057 -10.175
77 H GLU 14 H GLU 14 -2.569 -4.001 -13.942
78 HA GLU 14 HA GLU 14 -0.571 -5.036 -12.045
79 HB2 GLU 14 1HB GLU 14 -0.741 -5.536 -15.016
80 HB3 GLU 14 2HB GLU 14 0.718 -5.824 -14.077
81 HG2 GLU 14 1HG GLU 14 -0.863 -7.272 -12.595
82 HG3 GLU 14 2HG GLU 14 -1.882 -7.278 -14.033
83 H CYS 15 H CYS 15 1.643 -4.230 -12.487
84 HA CYS 15 HA CYS 15 1.532 -1.447 -13.440
85 HB2 CYS 15 1HB CYS 15 2.097 -1.460 -11.133
86 HB3 CYS 15 2HB CYS 15 3.238 -2.784 -11.345
87 H ILE 16 H ILE 16 3.432 -0.595 -14.511
88 HA ILE 16 HA ILE 16 4.851 -2.673 -16.045
89 HB ILE 16 HB ILE 16 4.266 0.171 -16.877
90 HG12 ILE 16 1HG1 ILE 16 2.196 -0.890 -17.035
91 HG13 ILE 16 2HG1 ILE 16 2.871 -1.142 -18.641
92 HG21 ILE 16 1HG2 ILE 16 6.264 -1.547 -17.750
93 HG22 ILE 16 2HG2 ILE 16 4.999 -1.683 -18.970
94 HG23 ILE 16 3HG2 ILE 16 5.677 -0.104 -18.576
95 HD11 ILE 16 3HD1 ILE 16 3.679 -3.387 -17.772
96 HD12 ILE 16 1HD1 ILE 16 2.612 -3.108 -16.396
97 HD13 ILE 16 2HD1 ILE 16 1.944 -3.196 -18.026
98 H GLU 17 H GLU 17 5.189 0.446 -14.422
99 HA GLU 17 HA GLU 17 7.785 1.108 -14.924
100 HB2 GLU 17 1HB GLU 17 6.134 1.344 -12.427
101 HB3 GLU 17 2HB GLU 17 7.801 1.903 -12.452
102 HG2 GLU 17 1HG GLU 17 5.718 2.829 -14.409
103 HG3 GLU 17 2HG GLU 17 6.063 3.651 -12.889
104 H CYS 18 H CYS 18 6.763 -0.926 -12.174
105 HA CYS 18 HA CYS 18 9.484 -2.036 -12.090
106 HB2 CYS 18 1HB CYS 18 8.975 -2.704 -9.788
107 HB3 CYS 18 2HB CYS 18 8.724 -0.975 -10.010
108 H GLY 19 H GLY 19 6.059 -2.918 -12.092
109 HA2 GLY 19 1HA GLY 19 5.302 -4.806 -13.373
110 HA3 GLY 19 2HA GLY 19 6.845 -5.586 -13.060
111 H LYS 20 H LYS 20 3.806 -4.583 -11.572
112 HA LYS 20 HA LYS 20 3.967 -6.908 -9.812
113 HB2 LYS 20 1HB LYS 20 4.800 -4.691 -8.704
114 HB3 LYS 20 2HB LYS 20 3.088 -4.295 -8.634
115 HG2 LYS 20 1HG LYS 20 2.652 -6.286 -7.322
116 HG3 LYS 20 2HG LYS 20 4.351 -6.754 -7.438
117 HD2 LYS 20 1HD LYS 20 5.006 -4.759 -6.213
118 HD3 LYS 20 2HD LYS 20 3.325 -4.223 -6.150
119 HE2 LYS 20 1HE LYS 20 3.759 -5.199 -4.050
120 HE3 LYS 20 2HE LYS 20 2.828 -6.399 -4.946
121 HZ1 LYS 20 3HZ LYS 20 5.620 -6.467 -4.100
122 HZ2 LYS 20 1HZ LYS 20 5.254 -7.177 -5.592
123 HZ3 LYS 20 2HZ LYS 20 4.484 -7.718 -4.186
124 H ALA 21 H ALA 21 1.927 -7.595 -8.985
125 HA ALA 21 HA ALA 21 -0.351 -6.551 -10.536
126 HB1 ALA 21 3HB ALA 21 0.652 -9.144 -10.392
127 HB2 ALA 21 1HB ALA 21 -0.808 -9.165 -9.402
128 HB3 ALA 21 2HB ALA 21 -0.889 -8.637 -11.084
129 H PHE 22 H PHE 22 -2.106 -5.818 -9.491
130 HA PHE 22 HA PHE 22 -2.228 -6.217 -6.574
131 HB2 PHE 22 1HB PHE 22 -3.078 -3.773 -8.142
132 HB3 PHE 22 2HB PHE 22 -3.241 -3.980 -6.402
133 HD1 PHE 22 HD2 PHE 22 -0.816 -3.617 -9.156
134 HD2 PHE 22 HD1 PHE 22 -1.426 -3.588 -4.944
135 HE1 PHE 22 HE2 PHE 22 1.438 -2.683 -8.840
136 HE2 PHE 22 HE1 PHE 22 0.827 -2.653 -4.621
137 HZ PHE 22 HZ PHE 22 2.263 -2.200 -6.570
138 H LYS 23 H LYS 23 -4.324 -6.314 -5.624
139 HA LYS 23 HA LYS 23 -6.213 -7.750 -7.215
140 HB2 LYS 23 1HB LYS 23 -6.047 -6.877 -4.363
141 HB3 LYS 23 2HB LYS 23 -7.608 -7.378 -4.999
142 HG2 LYS 23 1HG LYS 23 -6.752 -9.322 -4.079
143 HG3 LYS 23 2HG LYS 23 -6.371 -9.488 -5.794
144 HD2 LYS 23 1HD LYS 23 -4.344 -10.040 -4.896
145 HD3 LYS 23 2HD LYS 23 -4.133 -8.294 -5.044
146 HE2 LYS 23 1HE LYS 23 -3.410 -8.771 -2.876
147 HE3 LYS 23 2HE LYS 23 -5.055 -8.175 -2.656
148 HZ1 LYS 23 3HZ LYS 23 -4.563 -10.181 -1.343
149 HZ2 LYS 23 1HZ LYS 23 -4.312 -11.047 -2.775
150 HZ3 LYS 23 2HZ LYS 23 -5.841 -10.413 -2.427
151 H THR 24 H THR 24 -6.201 -4.552 -5.671
152 HA THR 24 HA THR 24 -8.526 -3.832 -7.334
153 HB THR 24 HB THR 24 -8.994 -2.058 -5.648
154 HG1 THR 24 HG1 THR 24 -6.820 -2.041 -4.762
155 HG21 THR 24 3HG2 THR 24 -9.979 -4.434 -5.634
156 HG22 THR 24 1HG2 THR 24 -10.140 -3.467 -4.168
157 HG23 THR 24 2HG2 THR 24 -8.906 -4.723 -4.265
158 H LYS 25 H LYS 25 -8.342 -2.168 -8.714
159 HA LYS 25 HA LYS 25 -5.913 -1.166 -9.545
160 HB2 LYS 25 1HB LYS 25 -7.914 -1.003 -10.912
161 HB3 LYS 25 2HB LYS 25 -8.645 0.109 -9.763
162 HG2 LYS 25 1HG LYS 25 -7.887 1.445 -11.531
163 HG3 LYS 25 2HG LYS 25 -6.699 1.661 -10.243
164 HD2 LYS 25 1HD LYS 25 -5.116 0.308 -11.327
165 HD3 LYS 25 2HD LYS 25 -6.325 -0.388 -12.408
166 HE2 LYS 25 1HE LYS 25 -5.639 2.538 -12.443
167 HE3 LYS 25 2HE LYS 25 -4.738 1.354 -13.388
168 HZ1 LYS 25 3HZ LYS 25 -6.637 2.526 -14.542
169 HZ2 LYS 25 1HZ LYS 25 -7.680 1.603 -13.580
170 HZ3 LYS 25 2HZ LYS 25 -6.621 0.838 -14.655
171 H SER 26 H SER 26 -8.160 0.195 -7.182
172 HA SER 26 HA SER 26 -7.137 2.687 -6.755
173 HB2 SER 26 1HB SER 26 -8.301 0.662 -4.866
174 HB3 SER 26 2HB SER 26 -7.715 2.209 -4.255
175 HG SER 26 HG SER 26 -10.034 1.969 -4.993
176 H SER 27 H SER 27 -5.846 -0.373 -5.551
177 HA SER 27 HA SER 27 -3.798 0.785 -3.959
178 HB2 SER 27 1HB SER 27 -4.436 -1.953 -4.959
179 HB3 SER 27 2HB SER 27 -2.801 -1.648 -4.372
180 HG SER 27 HG SER 27 -4.243 -2.371 -2.720
181 H LEU 28 H LEU 28 -3.924 -0.425 -7.275
182 HA LEU 28 HA LEU 28 -1.164 -0.189 -7.824
183 HB2 LEU 28 1HB LEU 28 -2.489 -1.546 -9.247
184 HB3 LEU 28 2HB LEU 28 -3.599 -0.220 -9.588
185 HG LEU 28 HG LEU 28 -1.505 0.892 -10.672
186 HD11 LEU 28 1HD1 LEU 28 -0.165 -1.197 -9.750
187 HD12 LEU 28 2HD1 LEU 28 0.262 -0.412 -11.270
188 HD13 LEU 28 3HD1 LEU 28 -0.691 -1.896 -11.282
189 HD21 LEU 28 3HD2 LEU 28 -2.908 0.547 -12.364
190 HD22 LEU 28 1HD2 LEU 28 -3.530 -0.935 -11.637
191 HD23 LEU 28 2HD2 LEU 28 -2.077 -0.986 -12.636
192 H ILE 29 H ILE 29 -3.878 1.940 -8.735
193 HA ILE 29 HA ILE 29 -2.564 3.967 -9.981
194 HB ILE 29 HB ILE 29 -4.816 4.253 -7.989
195 HG12 ILE 29 1HG1 ILE 29 -5.028 4.319 -10.989
196 HG13 ILE 29 2HG1 ILE 29 -5.052 2.792 -10.114
197 HG21 ILE 29 1HG2 ILE 29 -5.279 6.398 -9.043
198 HG22 ILE 29 2HG2 ILE 29 -3.662 6.381 -8.342
199 HG23 ILE 29 3HG2 ILE 29 -3.868 6.204 -10.084
200 HD11 ILE 29 3HD1 ILE 29 -7.294 3.671 -10.652
201 HD12 ILE 29 1HD1 ILE 29 -7.026 3.447 -8.924
202 HD13 ILE 29 2HD1 ILE 29 -6.959 5.064 -9.624
203 H CYS 30 H CYS 30 -2.963 3.618 -6.465
204 HA CYS 30 HA CYS 30 -1.546 5.965 -5.783
205 HB2 CYS 30 1HB CYS 30 -3.084 4.832 -4.231
206 HB3 CYS 30 2HB CYS 30 -1.988 3.458 -4.149
207 HG CYS 30 HG CYS 30 0.114 5.287 -3.162
208 H HIS 31 H HIS 31 -0.558 2.574 -6.063
209 HA HIS 31 HA HIS 31 2.071 2.858 -5.148
210 HB2 HIS 31 1HB HIS 31 1.452 0.644 -5.336
211 HB3 HIS 31 2HB HIS 31 0.647 0.889 -6.884
212 HD1 HIS 31 HD1 HIS 31 4.096 0.465 -5.413
213 HD2 HIS 31 HD2 HIS 31 2.187 0.369 -9.102
214 HE1 HIS 31 HE1 HIS 31 5.807 -0.414 -7.032
215 H ARG 32 H ARG 32 0.698 3.230 -8.387
216 HA ARG 32 HA ARG 32 2.989 3.470 -9.896
217 HB2 ARG 32 1HB ARG 32 0.264 4.686 -10.105
218 HB3 ARG 32 2HB ARG 32 1.524 5.216 -11.210
219 HG2 ARG 32 1HG ARG 32 1.740 3.081 -12.162
220 HG3 ARG 32 2HG ARG 32 0.841 2.318 -10.849
221 HD2 ARG 32 1HD ARG 32 -0.800 2.390 -12.430
222 HD3 ARG 32 2HD ARG 32 -1.056 3.964 -11.678
223 HE ARG 32 HE ARG 32 0.689 4.521 -13.659
224 HH11 ARG 32 1HH1 ARG 32 -2.345 2.816 -13.578
225 HH12 ARG 32 2HH1 ARG 32 -2.777 3.242 -15.201
226 HH21 ARG 32 1HH2 ARG 32 0.132 5.089 -15.797
227 HH22 ARG 32 2HH2 ARG 32 -1.367 4.534 -16.462
228 H ARG 33 H ARG 33 1.314 6.021 -8.077
229 HA ARG 33 HA ARG 33 2.958 8.157 -8.801
230 HB2 ARG 33 1HB ARG 33 1.889 8.049 -6.023
231 HB3 ARG 33 2HB ARG 33 1.863 9.369 -7.185
232 HG2 ARG 33 1HG ARG 33 0.224 7.724 -8.457
233 HG3 ARG 33 2HG ARG 33 -0.031 7.121 -6.818
234 HD2 ARG 33 1HD ARG 33 -1.664 8.781 -7.117
235 HD3 ARG 33 2HD ARG 33 -0.402 9.550 -6.156
236 HE ARG 33 HE ARG 33 0.223 10.130 -8.762
237 HH11 ARG 33 1HH1 ARG 33 -2.515 10.639 -6.674
238 HH12 ARG 33 2HH1 ARG 33 -3.008 12.102 -7.460
239 HH21 ARG 33 1HH2 ARG 33 -0.416 12.055 -9.805
240 HH22 ARG 33 2HH2 ARG 33 -1.814 12.906 -9.241
241 H SER 34 H SER 34 3.272 5.810 -6.173
242 HA SER 34 HA SER 34 5.287 6.827 -4.667
243 HB2 SER 34 1HB SER 34 4.111 4.515 -4.542
244 HB3 SER 34 2HB SER 34 5.444 3.957 -5.554
245 HG SER 34 HG SER 34 6.714 5.175 -3.773
246 H HIS 35 H HIS 35 5.781 4.887 -7.617
247 HA HIS 35 HA HIS 35 8.464 4.810 -7.842
248 HB2 HIS 35 1HB HIS 35 6.385 5.327 -9.954
249 HB3 HIS 35 2HB HIS 35 8.090 5.182 -10.370
250 HD1 HIS 35 HD1 HIS 35 8.696 2.841 -8.323
251 HD2 HIS 35 HD2 HIS 35 5.590 2.938 -11.081
252 HE1 HIS 35 HE1 HIS 35 8.080 0.437 -8.727
253 H THR 36 H THR 36 6.575 7.504 -9.225
254 HA THR 36 HA THR 36 8.883 9.134 -9.606
255 HB THR 36 HB THR 36 6.881 9.381 -11.015
256 HG1 THR 36 HG1 THR 36 7.117 11.824 -9.632
257 HG21 THR 36 3HG2 THR 36 5.632 10.203 -8.411
258 HG22 THR 36 1HG2 THR 36 5.045 9.045 -9.604
259 HG23 THR 36 2HG2 THR 36 4.990 10.773 -9.952
260 H GLY 37 H GLY 37 9.543 10.970 -8.482
261 HA2 GLY 37 1HA GLY 37 8.580 12.493 -6.577
262 HA3 GLY 37 2HA GLY 37 8.728 10.996 -5.668
263 H GLU 38 H GLU 38 10.956 12.095 -8.162
264 HA GLU 38 HA GLU 38 12.909 12.912 -6.165
265 HB2 GLU 38 1HB GLU 38 13.357 10.614 -8.072
266 HB3 GLU 38 2HB GLU 38 14.649 11.424 -7.198
267 HG2 GLU 38 1HG GLU 38 14.249 9.615 -5.853
268 HG3 GLU 38 2HG GLU 38 13.232 10.842 -5.099
269 H LYS 39 H LYS 39 14.188 14.519 -6.871
270 HA LYS 39 HA LYS 39 13.628 15.838 -9.287
271 HB2 LYS 39 1HB LYS 39 15.602 17.231 -8.748
272 HB3 LYS 39 2HB LYS 39 14.512 17.042 -7.381
273 HG2 LYS 39 1HG LYS 39 16.014 15.243 -6.528
274 HG3 LYS 39 2HG LYS 39 17.143 15.650 -7.822
275 HD2 LYS 39 1HD LYS 39 17.959 16.887 -6.042
276 HD3 LYS 39 2HD LYS 39 16.950 18.063 -6.885
277 HE2 LYS 39 1HE LYS 39 16.402 18.303 -4.614
278 HE3 LYS 39 2HE LYS 39 15.085 17.358 -5.305
279 HZ1 LYS 39 3HZ LYS 39 15.780 16.420 -3.211
280 HZ2 LYS 39 1HZ LYS 39 17.378 16.286 -3.752
281 HZ3 LYS 39 2HZ LYS 39 16.163 15.347 -4.461
282 HA PRO 40 HA PRO 40 16.078 13.672 -12.233
283 HB2 PRO 40 1HB PRO 40 16.404 15.649 -14.065
284 HB3 PRO 40 2HB PRO 40 14.874 14.794 -13.837
285 HG2 PRO 40 1HG PRO 40 15.723 17.467 -12.791
286 HG3 PRO 40 2HG PRO 40 14.169 16.983 -13.494
287 HD2 PRO 40 1HD PRO 40 14.553 17.205 -10.823
288 HD3 PRO 40 2HD PRO 40 13.438 16.019 -11.532
289 H SER 41 H SER 41 18.187 13.220 -12.385
290 HA SER 41 HA SER 41 20.184 14.358 -10.949
291 HB2 SER 41 1HB SER 41 21.786 13.324 -12.517
292 HB3 SER 41 2HB SER 41 20.448 12.236 -12.147
293 HG SER 41 HG SER 41 20.718 12.187 -14.338
294 H GLY 42 H GLY 42 22.039 15.686 -11.527
295 HA2 GLY 42 1HA GLY 42 22.903 17.202 -13.357
296 HA3 GLY 42 2HA GLY 42 21.264 17.836 -13.398
297 HA PRO 43 HA PRO 43 23.686 20.596 -10.619
298 HB2 PRO 43 1HB PRO 43 22.517 22.879 -11.510
299 HB3 PRO 43 2HB PRO 43 23.910 22.140 -12.307
300 HG2 PRO 43 1HG PRO 43 21.009 21.971 -13.023
301 HG3 PRO 43 2HG PRO 43 22.412 22.199 -14.084
302 HD2 PRO 43 1HD PRO 43 21.195 19.800 -13.774
303 HD3 PRO 43 2HD PRO 43 22.936 19.955 -14.083
304 H SER 44 H SER 44 22.670 19.921 -8.736
305 HA SER 44 HA SER 44 19.897 20.605 -8.250
306 HB2 SER 44 1HB SER 44 20.204 19.461 -6.107
307 HB3 SER 44 2HB SER 44 20.820 18.467 -7.426
308 HG SER 44 HG SER 44 22.924 19.513 -6.868
309 H SER 45 H SER 45 19.144 22.222 -6.984
310 HA SER 45 HA SER 45 20.705 23.644 -5.094
311 HB2 SER 45 1HB SER 45 21.051 25.727 -6.204
312 HB3 SER 45 2HB SER 45 21.658 24.483 -7.295
313 HG SER 45 HG SER 45 19.092 25.690 -7.445
314 H GLY 46 H GLY 46 19.473 25.070 -3.864
315 HA2 GLY 46 1HA GLY 46 17.303 26.468 -4.089
316 HA3 GLY 46 2HA GLY 46 16.583 24.891 -4.376
Start of MODEL 8
1 H1 GLY 1 H GLY 1 9.644 -13.204 -29.615
2 HA2 GLY 1 1HA GLY 1 12.244 -12.775 -29.923
3 HA3 GLY 1 2HA GLY 1 11.622 -11.870 -31.294
4 H SER 2 H SER 2 10.723 -9.885 -30.980
5 HA SER 2 HA SER 2 10.785 -8.872 -28.215
6 HB2 SER 2 1HB SER 2 11.386 -6.733 -29.050
7 HB3 SER 2 2HB SER 2 12.386 -7.881 -29.942
8 HG SER 2 HG SER 2 11.488 -7.198 -31.703
9 H SER 3 H SER 3 8.545 -10.026 -28.411
10 HA SER 3 HA SER 3 6.533 -8.293 -29.627
11 HB2 SER 3 1HB SER 3 6.518 -10.857 -29.805
12 HB3 SER 3 2HB SER 3 5.988 -10.850 -28.123
13 HG SER 3 HG SER 3 4.360 -10.805 -29.966
14 H GLY 4 H GLY 4 7.676 -6.894 -27.687
15 HA2 GLY 4 1HA GLY 4 7.219 -5.677 -25.795
16 HA3 GLY 4 2HA GLY 4 5.563 -6.243 -25.956
17 H SER 5 H SER 5 6.124 -5.960 -23.484
18 HA SER 5 HA SER 5 6.490 -8.671 -22.477
19 HB2 SER 5 1HB SER 5 8.686 -7.205 -22.419
20 HB3 SER 5 2HB SER 5 7.916 -6.493 -21.001
21 HG SER 5 HG SER 5 8.997 -9.010 -21.357
22 H SER 6 H SER 6 6.205 -8.507 -19.914
23 HA SER 6 HA SER 6 4.541 -6.493 -18.866
24 HB2 SER 6 1HB SER 6 3.195 -8.768 -20.240
25 HB3 SER 6 2HB SER 6 2.509 -8.221 -18.710
26 HG SER 6 HG SER 6 2.599 -6.958 -21.171
27 H GLY 7 H GLY 7 4.006 -6.846 -16.684
28 HA2 GLY 7 1HA GLY 7 5.785 -8.425 -15.221
29 HA3 GLY 7 2HA GLY 7 4.313 -7.710 -14.581
30 H THR 8 H THR 8 2.600 -8.989 -14.139
31 HA THR 8 HA THR 8 2.974 -11.864 -14.579
32 HB THR 8 HB THR 8 0.888 -11.844 -12.924
33 HG1 THR 8 HG1 THR 8 1.067 -9.401 -13.027
34 HG21 THR 8 3HG2 THR 8 3.685 -11.275 -11.942
35 HG22 THR 8 1HG2 THR 8 3.145 -12.841 -12.544
36 HG23 THR 8 2HG2 THR 8 2.416 -12.156 -11.092
37 H GLY 9 H GLY 9 0.519 -9.313 -14.884
38 HA2 GLY 9 1HA GLY 9 -1.095 -9.097 -16.545
39 HA3 GLY 9 2HA GLY 9 -0.609 -10.660 -17.184
40 H GLN 10 H GLN 10 -0.915 -12.158 -14.789
41 HA GLN 10 HA GLN 10 -3.364 -13.217 -14.932
42 HB2 GLN 10 1HB GLN 10 -1.666 -14.081 -13.418
43 HB3 GLN 10 2HB GLN 10 -1.860 -12.685 -12.366
44 HG2 GLN 10 1HG GLN 10 -3.029 -14.418 -11.319
45 HG3 GLN 10 2HG GLN 10 -4.266 -13.414 -12.074
46 HE21 GLN 10 1HE2 GLN 10 -3.271 -16.507 -11.584
47 HE22 GLN 10 2HE2 GLN 10 -4.090 -17.285 -12.891
48 H ARG 11 H ARG 11 -2.583 -10.399 -12.911
49 HA ARG 11 HA ARG 11 -5.416 -9.980 -12.364
50 HB2 ARG 11 1HB ARG 11 -3.000 -8.446 -11.388
51 HB3 ARG 11 2HB ARG 11 -4.653 -8.230 -10.828
52 HG2 ARG 11 1HG ARG 11 -2.863 -10.608 -10.422
53 HG3 ARG 11 2HG ARG 11 -3.533 -9.526 -9.199
54 HD2 ARG 11 1HD ARG 11 -5.102 -11.413 -10.953
55 HD3 ARG 11 2HD ARG 11 -4.723 -11.659 -9.249
56 HE ARG 11 HE ARG 11 -6.013 -9.286 -9.250
57 HH11 ARG 11 1HH1 ARG 11 -6.771 -12.412 -10.581
58 HH12 ARG 11 2HH1 ARG 11 -8.484 -12.210 -10.421
59 HH21 ARG 11 1HH2 ARG 11 -8.267 -9.007 -9.034
60 HH22 ARG 11 2HH2 ARG 11 -9.334 -10.272 -9.542
61 HA PRO 12 HA PRO 12 -5.960 -6.971 -15.530
62 HB2 PRO 12 1HB PRO 12 -8.048 -5.599 -14.469
63 HB3 PRO 12 2HB PRO 12 -8.215 -7.215 -15.165
64 HG2 PRO 12 1HG PRO 12 -7.971 -6.406 -12.293
65 HG3 PRO 12 2HG PRO 12 -9.050 -7.605 -13.030
66 HD2 PRO 12 1HD PRO 12 -6.773 -8.293 -11.736
67 HD3 PRO 12 2HD PRO 12 -7.405 -9.218 -13.114
68 H TYR 13 H TYR 13 -5.415 -6.043 -12.211
69 HA TYR 13 HA TYR 13 -4.588 -3.361 -13.104
70 HB2 TYR 13 1HB TYR 13 -5.350 -4.238 -10.311
71 HB3 TYR 13 2HB TYR 13 -4.959 -2.599 -10.820
72 HD1 TYR 13 HD2 TYR 13 -6.475 -1.587 -12.679
73 HD2 TYR 13 HD1 TYR 13 -7.566 -4.935 -10.291
74 HE1 TYR 13 HE2 TYR 13 -8.844 -1.177 -13.198
75 HE2 TYR 13 HE1 TYR 13 -9.938 -4.536 -10.805
76 HH TYR 13 HH TYR 13 -11.073 -1.686 -12.149
77 H GLU 14 H GLU 14 -2.496 -3.922 -13.713
78 HA GLU 14 HA GLU 14 -0.699 -4.511 -11.462
79 HB2 GLU 14 1HB GLU 14 0.722 -5.778 -13.181
80 HB3 GLU 14 2HB GLU 14 -0.719 -6.577 -12.568
81 HG2 GLU 14 1HG GLU 14 -1.810 -6.455 -14.559
82 HG3 GLU 14 2HG GLU 14 -0.980 -4.981 -15.051
83 H CYS 15 H CYS 15 1.599 -3.929 -11.972
84 HA CYS 15 HA CYS 15 1.630 -1.389 -13.445
85 HB2 CYS 15 1HB CYS 15 2.300 -1.080 -11.182
86 HB3 CYS 15 2HB CYS 15 3.366 -2.480 -11.232
87 H ILE 16 H ILE 16 3.639 -0.838 -14.608
88 HA ILE 16 HA ILE 16 4.850 -3.226 -15.841
89 HB ILE 16 HB ILE 16 3.358 -2.033 -17.395
90 HG12 ILE 16 1HG1 ILE 16 5.200 -1.532 -19.155
91 HG13 ILE 16 2HG1 ILE 16 6.320 -2.065 -17.907
92 HG21 ILE 16 1HG2 ILE 16 5.214 0.285 -16.885
93 HG22 ILE 16 2HG2 ILE 16 4.052 0.215 -18.209
94 HG23 ILE 16 3HG2 ILE 16 3.486 0.202 -16.539
95 HD11 ILE 16 3HD1 ILE 16 5.485 -3.755 -19.659
96 HD12 ILE 16 1HD1 ILE 16 5.547 -4.241 -17.965
97 HD13 ILE 16 2HD1 ILE 16 4.008 -3.782 -18.696
98 H GLU 17 H GLU 17 5.351 -0.054 -14.497
99 HA GLU 17 HA GLU 17 7.911 0.555 -15.315
100 HB2 GLU 17 1HB GLU 17 6.378 1.091 -12.805
101 HB3 GLU 17 2HB GLU 17 8.082 1.517 -12.867
102 HG2 GLU 17 1HG GLU 17 6.397 3.322 -13.460
103 HG3 GLU 17 2HG GLU 17 7.754 3.084 -14.560
104 H CYS 18 H CYS 18 7.046 -1.230 -12.347
105 HA CYS 18 HA CYS 18 9.773 -2.326 -12.300
106 HB2 CYS 18 1HB CYS 18 9.273 -2.902 -9.934
107 HB3 CYS 18 2HB CYS 18 9.168 -1.174 -10.259
108 H GLY 19 H GLY 19 6.377 -3.293 -11.845
109 HA2 GLY 19 1HA GLY 19 5.675 -5.279 -13.155
110 HA3 GLY 19 2HA GLY 19 7.176 -6.029 -12.630
111 H LYS 20 H LYS 20 4.197 -4.585 -11.331
112 HA LYS 20 HA LYS 20 4.058 -6.785 -9.404
113 HB2 LYS 20 1HB LYS 20 3.855 -3.853 -8.696
114 HB3 LYS 20 2HB LYS 20 3.392 -5.163 -7.617
115 HG2 LYS 20 1HG LYS 20 5.817 -6.001 -8.018
116 HG3 LYS 20 2HG LYS 20 6.109 -4.338 -8.535
117 HD2 LYS 20 1HD LYS 20 6.619 -4.250 -6.277
118 HD3 LYS 20 2HD LYS 20 4.938 -3.711 -6.303
119 HE2 LYS 20 1HE LYS 20 4.902 -5.252 -4.591
120 HE3 LYS 20 2HE LYS 20 4.416 -6.243 -5.966
121 HZ1 LYS 20 3HZ LYS 20 6.824 -6.357 -4.367
122 HZ2 LYS 20 1HZ LYS 20 7.078 -6.499 -6.034
123 HZ3 LYS 20 2HZ LYS 20 6.044 -7.578 -5.241
124 H ALA 21 H ALA 21 2.100 -7.669 -9.377
125 HA ALA 21 HA ALA 21 -0.095 -6.257 -10.695
126 HB1 ALA 21 3HB ALA 21 0.626 -9.077 -10.281
127 HB2 ALA 21 1HB ALA 21 -1.097 -8.713 -10.175
128 HB3 ALA 21 2HB ALA 21 -0.195 -8.299 -11.634
129 H PHE 22 H PHE 22 -2.150 -6.036 -9.749
130 HA PHE 22 HA PHE 22 -2.279 -6.476 -6.845
131 HB2 PHE 22 1HB PHE 22 -3.074 -3.961 -8.324
132 HB3 PHE 22 2HB PHE 22 -3.467 -4.286 -6.638
133 HD1 PHE 22 HD2 PHE 22 -0.649 -3.818 -8.993
134 HD2 PHE 22 HD1 PHE 22 -1.930 -3.832 -4.934
135 HE1 PHE 22 HE2 PHE 22 1.514 -2.863 -8.311
136 HE2 PHE 22 HE1 PHE 22 0.230 -2.876 -4.245
137 HZ PHE 22 HZ PHE 22 1.956 -2.392 -5.934
138 H LYS 23 H LYS 23 -4.613 -6.120 -6.056
139 HA LYS 23 HA LYS 23 -6.379 -7.572 -7.897
140 HB2 LYS 23 1HB LYS 23 -7.696 -8.106 -5.856
141 HB3 LYS 23 2HB LYS 23 -6.042 -8.700 -5.792
142 HG2 LYS 23 1HG LYS 23 -5.396 -7.077 -4.237
143 HG3 LYS 23 2HG LYS 23 -6.819 -6.082 -4.555
144 HD2 LYS 23 1HD LYS 23 -7.440 -7.059 -2.578
145 HD3 LYS 23 2HD LYS 23 -8.092 -8.234 -3.722
146 HE2 LYS 23 1HE LYS 23 -6.127 -9.632 -3.439
147 HE3 LYS 23 2HE LYS 23 -5.407 -8.437 -2.361
148 HZ1 LYS 23 3HZ LYS 23 -6.379 -9.546 -0.719
149 HZ2 LYS 23 1HZ LYS 23 -7.307 -10.481 -1.780
150 HZ3 LYS 23 2HZ LYS 23 -7.866 -8.965 -1.279
151 H THR 24 H THR 24 -5.930 -4.541 -6.368
152 HA THR 24 HA THR 24 -8.521 -3.639 -7.422
153 HB THR 24 HB THR 24 -8.713 -2.080 -5.468
154 HG1 THR 24 HG1 THR 24 -6.428 -3.533 -4.707
155 HG21 THR 24 3HG2 THR 24 -8.668 -4.851 -4.363
156 HG22 THR 24 1HG2 THR 24 -9.737 -4.493 -5.719
157 HG23 THR 24 2HG2 THR 24 -9.898 -3.597 -4.208
158 H LYS 25 H LYS 25 -8.378 -1.894 -8.679
159 HA LYS 25 HA LYS 25 -6.041 -0.809 -9.600
160 HB2 LYS 25 1HB LYS 25 -8.481 -0.495 -10.419
161 HB3 LYS 25 2HB LYS 25 -8.501 0.898 -9.346
162 HG2 LYS 25 1HG LYS 25 -6.344 1.588 -10.601
163 HG3 LYS 25 2HG LYS 25 -6.901 0.448 -11.828
164 HD2 LYS 25 1HD LYS 25 -9.132 1.701 -11.712
165 HD3 LYS 25 2HD LYS 25 -8.238 2.954 -10.848
166 HE2 LYS 25 1HE LYS 25 -8.134 3.670 -13.052
167 HE3 LYS 25 2HE LYS 25 -6.598 2.831 -12.839
168 HZ1 LYS 25 3HZ LYS 25 -8.850 1.249 -13.806
169 HZ2 LYS 25 1HZ LYS 25 -7.211 1.164 -14.217
170 HZ3 LYS 25 2HZ LYS 25 -8.188 2.372 -14.884
171 H SER 26 H SER 26 -8.205 0.914 -7.344
172 HA SER 26 HA SER 26 -6.784 3.063 -6.658
173 HB2 SER 26 1HB SER 26 -8.288 1.184 -4.843
174 HB3 SER 26 2HB SER 26 -7.584 2.685 -4.243
175 HG SER 26 HG SER 26 -9.886 2.348 -5.518
176 H SER 27 H SER 27 -6.343 0.024 -4.838
177 HA SER 27 HA SER 27 -4.162 0.704 -3.342
178 HB2 SER 27 1HB SER 27 -5.052 -1.896 -4.537
179 HB3 SER 27 2HB SER 27 -3.513 -1.819 -3.679
180 HG SER 27 HG SER 27 -4.893 -0.738 -1.975
181 H LEU 28 H LEU 28 -4.199 -0.351 -6.708
182 HA LEU 28 HA LEU 28 -1.353 -0.433 -6.967
183 HB2 LEU 28 1HB LEU 28 -2.546 -1.797 -8.454
184 HB3 LEU 28 2HB LEU 28 -3.637 -0.491 -8.910
185 HG LEU 28 HG LEU 28 -1.639 0.610 -10.014
186 HD11 LEU 28 1HD1 LEU 28 -0.172 -1.236 -8.696
187 HD12 LEU 28 2HD1 LEU 28 0.366 -0.395 -10.149
188 HD13 LEU 28 3HD1 LEU 28 -0.331 -2.010 -10.273
189 HD21 LEU 28 3HD2 LEU 28 -3.144 -1.760 -10.884
190 HD22 LEU 28 1HD2 LEU 28 -1.691 -1.407 -11.820
191 HD23 LEU 28 2HD2 LEU 28 -2.952 -0.185 -11.657
192 H ILE 29 H ILE 29 -3.829 1.986 -7.426
193 HA ILE 29 HA ILE 29 -2.520 3.832 -9.020
194 HB ILE 29 HB ILE 29 -4.360 4.393 -6.691
195 HG12 ILE 29 1HG1 ILE 29 -5.451 2.983 -8.310
196 HG13 ILE 29 2HG1 ILE 29 -6.072 4.618 -8.508
197 HG21 ILE 29 1HG2 ILE 29 -4.749 6.554 -7.691
198 HG22 ILE 29 2HG2 ILE 29 -3.024 6.351 -7.388
199 HG23 ILE 29 3HG2 ILE 29 -3.659 6.170 -9.023
200 HD11 ILE 29 3HD1 ILE 29 -4.558 4.935 -10.415
201 HD12 ILE 29 1HD1 ILE 29 -4.010 3.268 -10.233
202 HD13 ILE 29 2HD1 ILE 29 -5.689 3.604 -10.658
203 H CYS 30 H CYS 30 -2.485 3.629 -5.462
204 HA CYS 30 HA CYS 30 -0.782 5.755 -4.952
205 HB2 CYS 30 1HB CYS 30 -2.085 4.082 -3.363
206 HB3 CYS 30 2HB CYS 30 -0.521 3.279 -3.303
207 HG CYS 30 HG CYS 30 -1.534 6.056 -1.788
208 H HIS 31 H HIS 31 -0.024 2.436 -5.852
209 HA HIS 31 HA HIS 31 2.789 2.678 -5.460
210 HB2 HIS 31 1HB HIS 31 2.029 0.470 -5.415
211 HB3 HIS 31 2HB HIS 31 1.015 0.687 -6.838
212 HD1 HIS 31 HD1 HIS 31 4.430 -0.263 -5.781
213 HD2 HIS 31 HD2 HIS 31 2.417 0.572 -9.318
214 HE1 HIS 31 HE1 HIS 31 5.929 -1.096 -7.620
215 H ARG 32 H ARG 32 0.696 2.808 -8.329
216 HA ARG 32 HA ARG 32 2.727 3.197 -10.223
217 HB2 ARG 32 1HB ARG 32 -0.189 3.966 -10.207
218 HB3 ARG 32 2HB ARG 32 0.855 4.246 -11.595
219 HG2 ARG 32 1HG ARG 32 1.332 1.820 -11.672
220 HG3 ARG 32 2HG ARG 32 0.174 1.587 -10.360
221 HD2 ARG 32 1HD ARG 32 -1.634 2.049 -11.691
222 HD3 ARG 32 2HD ARG 32 -0.704 3.076 -12.781
223 HE ARG 32 HE ARG 32 -1.173 0.281 -13.053
224 HH11 ARG 32 1HH1 ARG 32 1.161 2.792 -13.663
225 HH12 ARG 32 2HH1 ARG 32 1.899 1.963 -14.993
226 HH21 ARG 32 1HH2 ARG 32 -0.209 -0.820 -14.802
227 HH22 ARG 32 2HH2 ARG 32 1.118 -0.091 -15.641
228 H ARG 33 H ARG 33 0.557 5.628 -8.764
229 HA ARG 33 HA ARG 33 1.870 7.863 -9.842
230 HB2 ARG 33 1HB ARG 33 0.443 9.152 -8.558
231 HB3 ARG 33 2HB ARG 33 -0.449 7.640 -8.658
232 HG2 ARG 33 1HG ARG 33 -0.640 8.031 -6.433
233 HG3 ARG 33 2HG ARG 33 0.879 7.133 -6.427
234 HD2 ARG 33 1HD ARG 33 0.959 9.181 -5.045
235 HD3 ARG 33 2HD ARG 33 2.145 9.181 -6.349
236 HE ARG 33 HE ARG 33 1.045 10.954 -7.319
237 HH11 ARG 33 1HH1 ARG 33 -0.905 9.609 -4.768
238 HH12 ARG 33 2HH1 ARG 33 -2.049 10.910 -4.780
239 HH21 ARG 33 1HH2 ARG 33 -0.454 12.673 -7.344
240 HH22 ARG 33 2HH2 ARG 33 -1.792 12.652 -6.246
241 H SER 34 H SER 34 2.415 6.012 -6.913
242 HA SER 34 HA SER 34 4.073 7.768 -5.528
243 HB2 SER 34 1HB SER 34 3.466 5.912 -4.275
244 HB3 SER 34 2HB SER 34 3.791 4.786 -5.593
245 HG SER 34 HG SER 34 5.959 4.962 -5.204
246 H HIS 35 H HIS 35 4.908 5.316 -7.956
247 HA HIS 35 HA HIS 35 7.571 5.238 -8.013
248 HB2 HIS 35 1HB HIS 35 5.572 5.403 -10.215
249 HB3 HIS 35 2HB HIS 35 7.273 5.540 -10.647
250 HD1 HIS 35 HD1 HIS 35 8.598 3.462 -8.959
251 HD2 HIS 35 HD2 HIS 35 4.901 2.844 -10.751
252 HE1 HIS 35 HE1 HIS 35 8.338 0.966 -9.121
253 H THR 36 H THR 36 5.675 7.977 -9.220
254 HA THR 36 HA THR 36 8.124 9.506 -9.672
255 HB THR 36 HB THR 36 6.630 11.222 -10.651
256 HG1 THR 36 HG1 THR 36 4.408 10.593 -10.963
257 HG21 THR 36 3HG2 THR 36 5.607 9.024 -12.185
258 HG22 THR 36 1HG2 THR 36 7.264 8.684 -11.690
259 HG23 THR 36 2HG2 THR 36 6.896 10.156 -12.589
260 H GLY 37 H GLY 37 8.838 10.015 -7.616
261 HA2 GLY 37 1HA GLY 37 7.109 11.899 -6.145
262 HA3 GLY 37 2HA GLY 37 7.980 10.630 -5.297
263 H GLU 38 H GLU 38 9.141 12.611 -7.987
264 HA GLU 38 HA GLU 38 10.621 14.434 -6.413
265 HB2 GLU 38 1HB GLU 38 12.844 13.607 -6.626
266 HB3 GLU 38 2HB GLU 38 11.877 12.300 -5.957
267 HG2 GLU 38 1HG GLU 38 11.774 11.215 -8.104
268 HG3 GLU 38 2HG GLU 38 12.616 12.566 -8.862
269 H LYS 39 H LYS 39 11.184 16.130 -7.640
270 HA LYS 39 HA LYS 39 10.780 15.908 -10.524
271 HB2 LYS 39 1HB LYS 39 11.041 18.289 -8.684
272 HB3 LYS 39 2HB LYS 39 10.907 18.426 -10.432
273 HG2 LYS 39 1HG LYS 39 8.738 17.147 -10.240
274 HG3 LYS 39 2HG LYS 39 8.862 17.382 -8.495
275 HD2 LYS 39 1HD LYS 39 8.460 19.628 -8.631
276 HD3 LYS 39 2HD LYS 39 9.163 19.766 -10.245
277 HE2 LYS 39 1HE LYS 39 7.144 18.407 -11.036
278 HE3 LYS 39 2HE LYS 39 6.440 18.769 -9.461
279 HZ1 LYS 39 3HZ LYS 39 6.544 21.091 -9.924
280 HZ2 LYS 39 1HZ LYS 39 5.797 20.340 -11.244
281 HZ3 LYS 39 2HZ LYS 39 7.409 20.837 -11.356
282 HA PRO 40 HA PRO 40 15.079 15.976 -11.465
283 HB2 PRO 40 1HB PRO 40 14.956 16.991 -13.980
284 HB3 PRO 40 2HB PRO 40 14.472 15.337 -13.587
285 HG2 PRO 40 1HG PRO 40 12.768 17.768 -13.974
286 HG3 PRO 40 2HG PRO 40 12.507 16.114 -14.558
287 HD2 PRO 40 1HD PRO 40 11.246 17.104 -12.376
288 HD3 PRO 40 2HD PRO 40 11.688 15.392 -12.528
289 H SER 41 H SER 41 13.182 18.763 -11.134
290 HA SER 41 HA SER 41 15.592 20.457 -11.210
291 HB2 SER 41 1HB SER 41 14.319 22.295 -12.060
292 HB3 SER 41 2HB SER 41 13.936 20.905 -13.075
293 HG SER 41 HG SER 41 11.953 20.853 -12.288
294 H GLY 42 H GLY 42 14.891 19.123 -8.915
295 HA2 GLY 42 1HA GLY 42 14.686 19.572 -6.667
296 HA3 GLY 42 2HA GLY 42 14.602 21.279 -7.076
297 HA PRO 43 HA PRO 43 10.427 19.542 -5.644
298 HB2 PRO 43 1HB PRO 43 10.318 20.801 -3.242
299 HB3 PRO 43 2HB PRO 43 11.014 19.190 -3.451
300 HG2 PRO 43 1HG PRO 43 12.394 21.840 -3.258
301 HG3 PRO 43 2HG PRO 43 12.827 20.296 -2.502
302 HD2 PRO 43 1HD PRO 43 14.053 21.220 -4.732
303 HD3 PRO 43 2HD PRO 43 13.815 19.489 -4.422
304 H SER 44 H SER 44 8.639 21.091 -4.592
305 HA SER 44 HA SER 44 8.584 23.432 -6.330
306 HB2 SER 44 1HB SER 44 6.671 21.709 -6.091
307 HB3 SER 44 2HB SER 44 6.317 22.524 -4.568
308 HG SER 44 HG SER 44 5.424 24.070 -5.660
309 H SER 45 H SER 45 7.666 22.752 -2.948
310 HA SER 45 HA SER 45 8.380 25.531 -2.292
311 HB2 SER 45 1HB SER 45 6.801 25.470 -0.524
312 HB3 SER 45 2HB SER 45 5.996 24.696 -1.889
313 HG SER 45 HG SER 45 6.592 23.679 0.535
314 H GLY 46 H GLY 46 9.821 25.977 -0.684
315 HA2 GLY 46 1HA GLY 46 11.926 24.365 -0.115
316 HA3 GLY 46 2HA GLY 46 11.365 25.606 0.996
Start of MODEL 9
1 H1 GLY 1 H GLY 1 4.939 -18.541 -36.023
2 HA2 GLY 1 1HA GLY 1 7.559 -18.063 -35.123
3 HA3 GLY 1 2HA GLY 1 6.613 -16.603 -34.874
4 H SER 2 H SER 2 7.671 -19.314 -33.393
5 HA SER 2 HA SER 2 5.277 -19.776 -31.791
6 HB2 SER 2 1HB SER 2 7.974 -21.143 -31.847
7 HB3 SER 2 2HB SER 2 6.683 -21.570 -30.724
8 HG SER 2 HG SER 2 7.000 -22.284 -33.303
9 H SER 3 H SER 3 5.134 -19.379 -29.601
10 HA SER 3 HA SER 3 7.280 -18.466 -27.998
11 HB2 SER 3 1HB SER 3 6.734 -16.484 -29.609
12 HB3 SER 3 2HB SER 3 5.331 -16.254 -28.566
13 HG SER 3 HG SER 3 7.883 -15.550 -28.135
14 H GLY 4 H GLY 4 6.356 -17.382 -25.916
15 HA2 GLY 4 1HA GLY 4 3.884 -18.842 -25.218
16 HA3 GLY 4 2HA GLY 4 5.210 -18.563 -24.099
17 H SER 5 H SER 5 4.058 -17.478 -22.550
18 HA SER 5 HA SER 5 3.241 -14.761 -23.277
19 HB2 SER 5 1HB SER 5 1.552 -16.695 -21.674
20 HB3 SER 5 2HB SER 5 1.217 -14.971 -21.839
21 HG SER 5 HG SER 5 0.622 -16.978 -23.524
22 H SER 6 H SER 6 3.782 -13.240 -21.806
23 HA SER 6 HA SER 6 4.713 -14.135 -19.164
24 HB2 SER 6 1HB SER 6 6.150 -12.219 -21.016
25 HB3 SER 6 2HB SER 6 6.592 -12.504 -19.333
26 HG SER 6 HG SER 6 6.874 -14.738 -19.926
27 H GLY 7 H GLY 7 3.845 -11.320 -21.160
28 HA2 GLY 7 1HA GLY 7 3.517 -9.417 -19.191
29 HA3 GLY 7 2HA GLY 7 2.566 -9.475 -20.667
30 H THR 8 H THR 8 1.119 -11.791 -20.302
31 HA THR 8 HA THR 8 -1.049 -10.942 -18.796
32 HB THR 8 HB THR 8 -1.224 -12.683 -20.520
33 HG1 THR 8 HG1 THR 8 -2.714 -12.503 -18.609
34 HG21 THR 8 3HG2 THR 8 -0.502 -14.938 -20.140
35 HG22 THR 8 1HG2 THR 8 0.015 -14.552 -18.500
36 HG23 THR 8 2HG2 THR 8 0.882 -13.876 -19.880
37 H GLY 9 H GLY 9 -1.957 -11.737 -16.816
38 HA2 GLY 9 1HA GLY 9 -0.168 -13.154 -14.999
39 HA3 GLY 9 2HA GLY 9 -0.595 -11.509 -14.551
40 H GLN 10 H GLN 10 -1.600 -12.294 -12.649
41 HA GLN 10 HA GLN 10 -3.975 -13.958 -12.998
42 HB2 GLN 10 1HB GLN 10 -2.332 -13.108 -10.643
43 HB3 GLN 10 2HB GLN 10 -3.985 -13.656 -10.396
44 HG2 GLN 10 1HG GLN 10 -1.776 -15.224 -11.708
45 HG3 GLN 10 2HG GLN 10 -2.398 -15.464 -10.076
46 HE21 GLN 10 1HE2 GLN 10 -4.193 -16.660 -9.776
47 HE22 GLN 10 2HE2 GLN 10 -5.084 -17.419 -11.047
48 H ARG 11 H ARG 11 -3.073 -10.818 -11.588
49 HA ARG 11 HA ARG 11 -5.888 -10.063 -11.442
50 HB2 ARG 11 1HB ARG 11 -3.379 -8.667 -10.497
51 HB3 ARG 11 2HB ARG 11 -5.002 -8.017 -10.311
52 HG2 ARG 11 1HG ARG 11 -5.570 -9.518 -8.683
53 HG3 ARG 11 2HG ARG 11 -4.435 -10.739 -9.260
54 HD2 ARG 11 1HD ARG 11 -2.610 -9.691 -8.254
55 HD3 ARG 11 2HD ARG 11 -3.461 -8.155 -8.099
56 HE ARG 11 HE ARG 11 -4.901 -9.829 -6.531
57 HH11 ARG 11 1HH1 ARG 11 -1.517 -9.032 -6.721
58 HH12 ARG 11 2HH1 ARG 11 -1.225 -9.302 -5.035
59 HH21 ARG 11 1HH2 ARG 11 -4.529 -10.188 -4.310
60 HH22 ARG 11 2HH2 ARG 11 -2.939 -9.961 -3.664
61 HA PRO 12 HA PRO 12 -5.842 -7.779 -15.203
62 HB2 PRO 12 1HB PRO 12 -7.845 -6.025 -14.674
63 HB3 PRO 12 2HB PRO 12 -8.132 -7.733 -15.028
64 HG2 PRO 12 1HG PRO 12 -8.033 -6.337 -12.382
65 HG3 PRO 12 2HG PRO 12 -9.174 -7.567 -12.956
66 HD2 PRO 12 1HD PRO 12 -7.099 -8.156 -11.320
67 HD3 PRO 12 2HD PRO 12 -7.716 -9.300 -12.529
68 H TYR 13 H TYR 13 -5.378 -6.249 -12.121
69 HA TYR 13 HA TYR 13 -4.410 -3.797 -13.416
70 HB2 TYR 13 1HB TYR 13 -4.790 -4.213 -10.454
71 HB3 TYR 13 2HB TYR 13 -4.668 -2.692 -11.331
72 HD1 TYR 13 HD2 TYR 13 -6.555 -2.706 -13.391
73 HD2 TYR 13 HD1 TYR 13 -6.886 -4.571 -9.581
74 HE1 TYR 13 HE2 TYR 13 -9.006 -2.604 -13.560
75 HE2 TYR 13 HE1 TYR 13 -9.338 -4.475 -9.740
76 HH TYR 13 HH TYR 13 -11.019 -4.294 -12.138
77 H GLU 14 H GLU 14 -2.317 -3.815 -13.881
78 HA GLU 14 HA GLU 14 -0.447 -4.874 -11.872
79 HB2 GLU 14 1HB GLU 14 -0.421 -5.332 -14.852
80 HB3 GLU 14 2HB GLU 14 1.010 -5.553 -13.853
81 HG2 GLU 14 1HG GLU 14 -0.351 -7.165 -12.473
82 HG3 GLU 14 2HG GLU 14 -1.577 -7.073 -13.736
83 H CYS 15 H CYS 15 1.796 -4.032 -12.180
84 HA CYS 15 HA CYS 15 1.689 -1.223 -13.059
85 HB2 CYS 15 1HB CYS 15 2.068 -1.366 -10.686
86 HB3 CYS 15 2HB CYS 15 3.348 -2.553 -10.912
87 H ILE 16 H ILE 16 2.542 -1.091 -15.039
88 HA ILE 16 HA ILE 16 4.528 -2.857 -16.041
89 HB ILE 16 HB ILE 16 3.115 -1.884 -17.659
90 HG12 ILE 16 1HG1 ILE 16 5.709 -0.347 -17.881
91 HG13 ILE 16 2HG1 ILE 16 5.545 -2.056 -18.266
92 HG21 ILE 16 1HG2 ILE 16 3.585 0.578 -16.118
93 HG22 ILE 16 2HG2 ILE 16 3.449 0.788 -17.863
94 HG23 ILE 16 3HG2 ILE 16 2.140 0.023 -16.963
95 HD11 ILE 16 3HD1 ILE 16 4.489 -1.652 -20.216
96 HD12 ILE 16 1HD1 ILE 16 3.667 -0.217 -19.604
97 HD13 ILE 16 2HD1 ILE 16 5.361 -0.124 -20.088
98 H GLU 17 H GLU 17 4.672 -0.044 -14.112
99 HA GLU 17 HA GLU 17 7.113 1.078 -14.863
100 HB2 GLU 17 1HB GLU 17 5.326 1.838 -13.107
101 HB3 GLU 17 2HB GLU 17 6.314 0.920 -11.979
102 HG2 GLU 17 1HG GLU 17 7.216 3.003 -11.747
103 HG3 GLU 17 2HG GLU 17 8.264 2.328 -12.993
104 H CYS 18 H CYS 18 6.459 -1.393 -12.381
105 HA CYS 18 HA CYS 18 9.279 -2.219 -12.603
106 HB2 CYS 18 1HB CYS 18 9.182 -2.879 -10.227
107 HB3 CYS 18 2HB CYS 18 8.901 -1.155 -10.442
108 H GLY 19 H GLY 19 5.948 -3.236 -12.003
109 HA2 GLY 19 1HA GLY 19 5.227 -5.224 -13.282
110 HA3 GLY 19 2HA GLY 19 6.745 -5.968 -12.804
111 H LYS 20 H LYS 20 3.919 -4.413 -11.283
112 HA LYS 20 HA LYS 20 3.844 -6.651 -9.375
113 HB2 LYS 20 1HB LYS 20 3.901 -3.720 -8.826
114 HB3 LYS 20 2HB LYS 20 2.910 -4.737 -7.788
115 HG2 LYS 20 1HG LYS 20 4.904 -6.126 -7.319
116 HG3 LYS 20 2HG LYS 20 5.871 -4.994 -8.267
117 HD2 LYS 20 1HD LYS 20 5.028 -3.181 -6.713
118 HD3 LYS 20 2HD LYS 20 4.397 -4.476 -5.693
119 HE2 LYS 20 1HE LYS 20 6.477 -5.171 -5.053
120 HE3 LYS 20 2HE LYS 20 7.235 -4.640 -6.554
121 HZ1 LYS 20 3HZ LYS 20 6.887 -2.320 -5.758
122 HZ2 LYS 20 1HZ LYS 20 7.976 -3.219 -4.826
123 HZ3 LYS 20 2HZ LYS 20 6.404 -2.949 -4.264
124 H ALA 21 H ALA 21 1.841 -7.419 -8.856
125 HA ALA 21 HA ALA 21 -0.403 -6.276 -10.371
126 HB1 ALA 21 3HB ALA 21 0.465 -8.789 -10.478
127 HB2 ALA 21 1HB ALA 21 -0.640 -8.948 -9.113
128 HB3 ALA 21 2HB ALA 21 -1.237 -8.368 -10.668
129 H PHE 22 H PHE 22 -2.379 -5.862 -9.395
130 HA PHE 22 HA PHE 22 -2.520 -6.129 -6.478
131 HB2 PHE 22 1HB PHE 22 -3.198 -3.597 -7.988
132 HB3 PHE 22 2HB PHE 22 -3.373 -3.847 -6.254
133 HD1 PHE 22 HD2 PHE 22 -0.848 -3.778 -8.975
134 HD2 PHE 22 HD1 PHE 22 -1.623 -3.350 -4.811
135 HE1 PHE 22 HE2 PHE 22 1.453 -2.977 -8.632
136 HE2 PHE 22 HE1 PHE 22 0.676 -2.547 -4.462
137 HZ PHE 22 HZ PHE 22 2.218 -2.361 -6.374
138 H LYS 23 H LYS 23 -4.435 -6.833 -5.761
139 HA LYS 23 HA LYS 23 -6.388 -7.840 -7.454
140 HB2 LYS 23 1HB LYS 23 -6.026 -8.431 -5.033
141 HB3 LYS 23 2HB LYS 23 -6.856 -6.940 -4.609
142 HG2 LYS 23 1HG LYS 23 -8.526 -8.527 -4.447
143 HG3 LYS 23 2HG LYS 23 -8.777 -7.863 -6.064
144 HD2 LYS 23 1HD LYS 23 -7.570 -9.744 -7.037
145 HD3 LYS 23 2HD LYS 23 -7.262 -10.396 -5.426
146 HE2 LYS 23 1HE LYS 23 -9.095 -11.628 -6.074
147 HE3 LYS 23 2HE LYS 23 -9.859 -10.300 -5.202
148 HZ1 LYS 23 3HZ LYS 23 -10.873 -9.608 -7.040
149 HZ2 LYS 23 1HZ LYS 23 -10.434 -11.083 -7.744
150 HZ3 LYS 23 2HZ LYS 23 -9.468 -9.715 -7.976
151 H THR 24 H THR 24 -6.132 -4.679 -5.941
152 HA THR 24 HA THR 24 -8.484 -3.819 -7.497
153 HB THR 24 HB THR 24 -8.924 -2.124 -5.739
154 HG1 THR 24 HG1 THR 24 -7.315 -1.824 -4.395
155 HG21 THR 24 3HG2 THR 24 -8.944 -5.027 -4.930
156 HG22 THR 24 1HG2 THR 24 -10.256 -4.095 -5.649
157 HG23 THR 24 2HG2 THR 24 -9.738 -3.759 -3.997
158 H LYS 25 H LYS 25 -7.969 -2.420 -9.032
159 HA LYS 25 HA LYS 25 -5.515 -1.360 -9.578
160 HB2 LYS 25 1HB LYS 25 -7.033 -1.116 -11.307
161 HB3 LYS 25 2HB LYS 25 -8.293 -0.488 -10.252
162 HG2 LYS 25 1HG LYS 25 -7.538 1.269 -11.688
163 HG3 LYS 25 2HG LYS 25 -7.003 1.617 -10.042
164 HD2 LYS 25 1HD LYS 25 -5.063 2.042 -11.174
165 HD3 LYS 25 2HD LYS 25 -4.845 0.319 -10.854
166 HE2 LYS 25 1HE LYS 25 -6.256 1.121 -13.346
167 HE3 LYS 25 2HE LYS 25 -4.509 1.348 -13.270
168 HZ1 LYS 25 3HZ LYS 25 -5.714 -0.935 -13.995
169 HZ2 LYS 25 1HZ LYS 25 -5.430 -1.232 -12.354
170 HZ3 LYS 25 2HZ LYS 25 -4.141 -0.844 -13.378
171 H SER 26 H SER 26 -7.893 -0.159 -7.321
172 HA SER 26 HA SER 26 -7.054 2.440 -6.926
173 HB2 SER 26 1HB SER 26 -8.087 0.441 -4.904
174 HB3 SER 26 2HB SER 26 -7.908 2.166 -4.581
175 HG SER 26 HG SER 26 -9.256 2.289 -6.658
176 H SER 27 H SER 27 -5.842 -0.500 -5.336
177 HA SER 27 HA SER 27 -3.900 0.812 -3.758
178 HB2 SER 27 1HB SER 27 -4.364 -2.026 -4.601
179 HB3 SER 27 2HB SER 27 -2.852 -1.596 -3.803
180 HG SER 27 HG SER 27 -4.519 -0.493 -2.278
181 H LEU 28 H LEU 28 -3.933 -0.276 -7.055
182 HA LEU 28 HA LEU 28 -1.097 -0.230 -7.430
183 HB2 LEU 28 1HB LEU 28 -2.271 -1.607 -8.912
184 HB3 LEU 28 2HB LEU 28 -3.460 -0.357 -9.270
185 HG LEU 28 HG LEU 28 -1.483 0.891 -10.370
186 HD11 LEU 28 1HD1 LEU 28 0.489 -0.119 -10.149
187 HD12 LEU 28 2HD1 LEU 28 -0.094 -1.288 -11.333
188 HD13 LEU 28 3HD1 LEU 28 -0.250 -1.626 -9.609
189 HD21 LEU 28 3HD2 LEU 28 -3.032 0.279 -11.910
190 HD22 LEU 28 1HD2 LEU 28 -3.074 -1.399 -11.367
191 HD23 LEU 28 2HD2 LEU 28 -1.749 -0.835 -12.387
192 H ILE 29 H ILE 29 -3.752 1.993 -8.201
193 HA ILE 29 HA ILE 29 -2.474 3.944 -9.611
194 HB ILE 29 HB ILE 29 -4.514 4.323 -7.418
195 HG12 ILE 29 1HG1 ILE 29 -4.785 4.181 -10.429
196 HG13 ILE 29 2HG1 ILE 29 -5.253 2.918 -9.296
197 HG21 ILE 29 1HG2 ILE 29 -4.922 6.519 -8.267
198 HG22 ILE 29 2HG2 ILE 29 -3.198 6.381 -7.928
199 HG23 ILE 29 3HG2 ILE 29 -3.780 6.277 -9.589
200 HD11 ILE 29 3HD1 ILE 29 -7.174 4.188 -10.080
201 HD12 ILE 29 1HD1 ILE 29 -6.940 4.383 -8.343
202 HD13 ILE 29 2HD1 ILE 29 -6.458 5.670 -9.448
203 H CYS 30 H CYS 30 -2.638 3.761 -6.055
204 HA CYS 30 HA CYS 30 -1.026 5.997 -5.546
205 HB2 CYS 30 1HB CYS 30 -2.419 5.003 -3.815
206 HB3 CYS 30 2HB CYS 30 -1.476 3.519 -3.872
207 HG CYS 30 HG CYS 30 0.614 5.942 -3.293
208 H HIS 31 H HIS 31 -0.217 2.601 -6.045
209 HA HIS 31 HA HIS 31 2.529 2.833 -5.373
210 HB2 HIS 31 1HB HIS 31 1.617 0.650 -5.328
211 HB3 HIS 31 2HB HIS 31 0.953 0.806 -6.952
212 HD1 HIS 31 HD1 HIS 31 4.425 0.856 -5.376
213 HD2 HIS 31 HD2 HIS 31 2.453 -0.493 -8.776
214 HE1 HIS 31 HE1 HIS 31 6.163 -0.368 -6.720
215 H ARG 32 H ARG 32 0.697 3.456 -8.265
216 HA ARG 32 HA ARG 32 2.846 3.415 -10.109
217 HB2 ARG 32 1HB ARG 32 0.124 4.706 -10.147
218 HB3 ARG 32 2HB ARG 32 1.259 4.888 -11.478
219 HG2 ARG 32 1HG ARG 32 0.395 2.201 -10.455
220 HG3 ARG 32 2HG ARG 32 -0.488 3.076 -11.709
221 HD2 ARG 32 1HD ARG 32 1.904 3.240 -12.800
222 HD3 ARG 32 2HD ARG 32 2.211 1.820 -11.801
223 HE ARG 32 HE ARG 32 0.956 0.598 -13.258
224 HH11 ARG 32 1HH1 ARG 32 0.126 3.958 -13.629
225 HH12 ARG 32 2HH1 ARG 32 -0.923 3.685 -14.980
226 HH21 ARG 32 1HH2 ARG 32 -0.422 0.225 -15.037
227 HH22 ARG 32 2HH2 ARG 32 -1.235 1.561 -15.780
228 H ARG 33 H ARG 33 1.275 6.057 -8.324
229 HA ARG 33 HA ARG 33 3.071 8.045 -9.346
230 HB2 ARG 33 1HB ARG 33 1.786 9.582 -8.221
231 HB3 ARG 33 2HB ARG 33 0.626 8.271 -8.385
232 HG2 ARG 33 1HG ARG 33 1.102 7.541 -6.115
233 HG3 ARG 33 2HG ARG 33 2.306 8.821 -5.947
234 HD2 ARG 33 1HD ARG 33 0.451 9.757 -4.934
235 HD3 ARG 33 2HD ARG 33 0.345 10.398 -6.573
236 HE ARG 33 HE ARG 33 -1.113 8.020 -6.479
237 HH11 ARG 33 1HH1 ARG 33 -1.221 11.234 -5.146
238 HH12 ARG 33 2HH1 ARG 33 -2.948 11.259 -5.007
239 HH21 ARG 33 1HH2 ARG 33 -3.387 8.041 -6.301
240 HH22 ARG 33 2HH2 ARG 33 -4.179 9.442 -5.663
241 H SER 34 H SER 34 2.986 5.927 -6.593
242 HA SER 34 HA SER 34 4.679 7.237 -4.826
243 HB2 SER 34 1HB SER 34 4.934 5.180 -3.726
244 HB3 SER 34 2HB SER 34 3.383 5.010 -4.548
245 HG SER 34 HG SER 34 4.528 3.180 -4.993
246 H HIS 35 H HIS 35 5.509 5.008 -7.466
247 HA HIS 35 HA HIS 35 8.156 4.652 -7.237
248 HB2 HIS 35 1HB HIS 35 6.503 5.282 -9.661
249 HB3 HIS 35 2HB HIS 35 8.242 5.046 -9.815
250 HD1 HIS 35 HD1 HIS 35 9.115 2.643 -8.866
251 HD2 HIS 35 HD2 HIS 35 5.059 2.983 -9.703
252 HE1 HIS 35 HE1 HIS 35 8.265 0.283 -9.049
253 H THR 36 H THR 36 6.820 7.519 -8.892
254 HA THR 36 HA THR 36 9.382 8.871 -8.645
255 HB THR 36 HB THR 36 8.102 9.043 -10.756
256 HG1 THR 36 HG1 THR 36 9.366 10.773 -10.636
257 HG21 THR 36 3HG2 THR 36 5.885 9.260 -9.277
258 HG22 THR 36 1HG2 THR 36 5.993 9.887 -10.922
259 HG23 THR 36 2HG2 THR 36 6.202 10.973 -9.548
260 H GLY 37 H GLY 37 8.143 8.345 -6.175
261 HA2 GLY 37 1HA GLY 37 7.046 10.938 -5.338
262 HA3 GLY 37 2HA GLY 37 6.961 9.442 -4.419
263 H GLU 38 H GLU 38 8.014 12.255 -3.878
264 HA GLU 38 HA GLU 38 10.820 11.725 -3.322
265 HB2 GLU 38 1HB GLU 38 10.072 13.932 -4.208
266 HB3 GLU 38 2HB GLU 38 9.187 14.193 -2.711
267 HG2 GLU 38 1HG GLU 38 11.080 14.549 -1.485
268 HG3 GLU 38 2HG GLU 38 12.085 13.564 -2.546
269 H LYS 39 H LYS 39 11.642 11.232 -1.377
270 HA LYS 39 HA LYS 39 9.811 10.617 0.771
271 HB2 LYS 39 1HB LYS 39 11.633 9.073 0.246
272 HB3 LYS 39 2HB LYS 39 12.815 10.331 0.580
273 HG2 LYS 39 1HG LYS 39 12.880 9.193 2.549
274 HG3 LYS 39 2HG LYS 39 11.618 10.369 2.924
275 HD2 LYS 39 1HD LYS 39 10.717 8.340 3.644
276 HD3 LYS 39 2HD LYS 39 9.985 8.580 2.057
277 HE2 LYS 39 1HE LYS 39 10.673 6.321 2.127
278 HE3 LYS 39 2HE LYS 39 11.853 7.159 1.122
279 HZ1 LYS 39 3HZ LYS 39 13.339 6.175 2.446
280 HZ2 LYS 39 1HZ LYS 39 12.208 5.838 3.658
281 HZ3 LYS 39 2HZ LYS 39 12.934 7.363 3.580
282 HA PRO 40 HA PRO 40 10.300 14.421 2.952
283 HB2 PRO 40 1HB PRO 40 9.452 13.582 5.391
284 HB3 PRO 40 2HB PRO 40 8.352 13.866 4.036
285 HG2 PRO 40 1HG PRO 40 9.492 11.287 5.042
286 HG3 PRO 40 2HG PRO 40 7.837 11.651 4.519
287 HD2 PRO 40 1HD PRO 40 9.621 10.379 2.928
288 HD3 PRO 40 2HD PRO 40 8.366 11.457 2.284
289 H SER 41 H SER 41 11.652 15.416 4.465
290 HA SER 41 HA SER 41 14.212 14.523 4.762
291 HB2 SER 41 1HB SER 41 13.596 16.824 5.249
292 HB3 SER 41 2HB SER 41 12.666 16.309 6.656
293 HG SER 41 HG SER 41 15.218 16.944 6.564
294 H GLY 42 H GLY 42 11.568 14.124 7.108
295 HA2 GLY 42 1HA GLY 42 11.550 12.920 9.103
296 HA3 GLY 42 2HA GLY 42 11.926 11.629 7.972
297 HA PRO 43 HA PRO 43 15.602 10.899 10.268
298 HB2 PRO 43 1HB PRO 43 17.021 9.551 8.387
299 HB3 PRO 43 2HB PRO 43 15.651 8.841 9.248
300 HG2 PRO 43 1HG PRO 43 15.747 10.052 6.513
301 HG3 PRO 43 2HG PRO 43 14.933 8.572 7.053
302 HD2 PRO 43 1HD PRO 43 13.614 10.908 6.683
303 HD3 PRO 43 2HD PRO 43 13.136 9.726 7.919
304 H SER 44 H SER 44 17.804 11.508 10.406
305 HA SER 44 HA SER 44 18.412 13.986 9.125
306 HB2 SER 44 1HB SER 44 20.055 12.204 10.936
307 HB3 SER 44 2HB SER 44 20.577 13.794 10.379
308 HG SER 44 HG SER 44 18.217 13.262 11.867
309 H SER 45 H SER 45 20.055 10.819 9.095
310 HA SER 45 HA SER 45 21.857 11.499 7.029
311 HB2 SER 45 1HB SER 45 22.110 9.602 8.687
312 HB3 SER 45 2HB SER 45 20.933 8.707 7.726
313 HG SER 45 HG SER 45 23.329 8.476 7.285
314 H GLY 46 H GLY 46 21.308 11.980 5.010
315 HA2 GLY 46 1HA GLY 46 18.936 10.701 3.837
316 HA3 GLY 46 2HA GLY 46 19.694 12.178 3.260
Start of MODEL 10
1 H1 GLY 1 H GLY 1 12.632 -25.288 -31.257
2 HA2 GLY 1 1HA GLY 1 10.096 -25.455 -29.747
3 HA3 GLY 1 2HA GLY 1 11.667 -25.632 -28.980
4 H SER 2 H SER 2 9.196 -23.552 -29.377
5 HA SER 2 HA SER 2 10.951 -21.220 -28.991
6 HB2 SER 2 1HB SER 2 8.500 -21.471 -30.718
7 HB3 SER 2 2HB SER 2 8.995 -19.906 -30.074
8 HG SER 2 HG SER 2 11.120 -20.455 -31.038
9 H SER 3 H SER 3 10.778 -20.801 -26.880
10 HA SER 3 HA SER 3 8.087 -20.792 -25.679
11 HB2 SER 3 1HB SER 3 9.704 -22.418 -24.691
12 HB3 SER 3 2HB SER 3 10.741 -21.062 -24.248
13 HG SER 3 HG SER 3 8.071 -20.962 -23.452
14 H GLY 4 H GLY 4 7.564 -19.105 -24.197
15 HA2 GLY 4 1HA GLY 4 9.015 -16.983 -23.340
16 HA3 GLY 4 2HA GLY 4 8.654 -16.556 -25.006
17 H SER 5 H SER 5 6.560 -16.015 -25.593
18 HA SER 5 HA SER 5 4.845 -15.275 -23.348
19 HB2 SER 5 1HB SER 5 5.525 -13.668 -25.243
20 HB3 SER 5 2HB SER 5 4.366 -14.553 -26.234
21 HG SER 5 HG SER 5 3.724 -13.375 -23.736
22 H SER 6 H SER 6 3.809 -17.153 -22.776
23 HA SER 6 HA SER 6 2.108 -18.385 -24.844
24 HB2 SER 6 1HB SER 6 3.748 -19.976 -24.023
25 HB3 SER 6 2HB SER 6 3.300 -19.628 -22.354
26 HG SER 6 HG SER 6 2.293 -21.528 -23.111
27 H GLY 7 H GLY 7 2.288 -17.425 -21.437
28 HA2 GLY 7 1HA GLY 7 -0.427 -16.543 -21.435
29 HA3 GLY 7 2HA GLY 7 -0.254 -18.072 -20.586
30 H THR 8 H THR 8 0.829 -14.715 -20.664
31 HA THR 8 HA THR 8 1.371 -14.917 -17.774
32 HB THR 8 HB THR 8 3.513 -14.654 -18.762
33 HG1 THR 8 HG1 THR 8 2.783 -13.078 -17.042
34 HG21 THR 8 3HG2 THR 8 2.058 -13.138 -20.742
35 HG22 THR 8 1HG2 THR 8 3.655 -13.876 -20.849
36 HG23 THR 8 2HG2 THR 8 3.477 -12.251 -20.186
37 H GLY 9 H GLY 9 0.893 -13.068 -16.511
38 HA2 GLY 9 1HA GLY 9 -0.111 -11.032 -16.019
39 HA3 GLY 9 2HA GLY 9 -0.367 -10.775 -17.738
40 H GLN 10 H GLN 10 -1.669 -12.135 -14.808
41 HA GLN 10 HA GLN 10 -4.170 -12.790 -16.201
42 HB2 GLN 10 1HB GLN 10 -2.939 -13.713 -13.630
43 HB3 GLN 10 2HB GLN 10 -4.679 -13.829 -13.857
44 HG2 GLN 10 1HG GLN 10 -3.762 -15.920 -14.456
45 HG3 GLN 10 2HG GLN 10 -4.228 -15.117 -15.955
46 HE21 GLN 10 1HE2 GLN 10 -1.480 -15.742 -13.832
47 HE22 GLN 10 2HE2 GLN 10 -0.285 -15.737 -15.079
48 H ARG 11 H ARG 11 -3.370 -11.621 -12.929
49 HA ARG 11 HA ARG 11 -5.629 -10.442 -12.154
50 HB2 ARG 11 1HB ARG 11 -4.322 -8.746 -10.956
51 HB3 ARG 11 2HB ARG 11 -3.573 -10.333 -10.842
52 HG2 ARG 11 1HG ARG 11 -2.677 -8.528 -13.020
53 HG3 ARG 11 2HG ARG 11 -2.174 -8.159 -11.368
54 HD2 ARG 11 1HD ARG 11 -1.698 -10.711 -12.899
55 HD3 ARG 11 2HD ARG 11 -0.491 -9.526 -12.398
56 HE ARG 11 HE ARG 11 -1.722 -10.378 -10.084
57 HH11 ARG 11 1HH1 ARG 11 0.098 -11.831 -12.672
58 HH12 ARG 11 2HH1 ARG 11 0.757 -13.088 -11.678
59 HH21 ARG 11 1HH2 ARG 11 -0.861 -12.028 -8.765
60 HH22 ARG 11 2HH2 ARG 11 0.210 -13.199 -9.456
61 HA PRO 12 HA PRO 12 -6.849 -7.444 -15.146
62 HB2 PRO 12 1HB PRO 12 -8.553 -6.001 -13.602
63 HB3 PRO 12 2HB PRO 12 -8.947 -7.608 -14.224
64 HG2 PRO 12 1HG PRO 12 -7.960 -6.818 -11.511
65 HG3 PRO 12 2HG PRO 12 -9.231 -7.975 -11.946
66 HD2 PRO 12 1HD PRO 12 -6.728 -8.749 -11.262
67 HD3 PRO 12 2HD PRO 12 -7.719 -9.645 -12.431
68 H TYR 13 H TYR 13 -4.965 -6.783 -12.443
69 HA TYR 13 HA TYR 13 -4.379 -4.093 -13.459
70 HB2 TYR 13 1HB TYR 13 -4.530 -4.705 -10.507
71 HB3 TYR 13 2HB TYR 13 -4.331 -3.132 -11.272
72 HD1 TYR 13 HD2 TYR 13 -6.263 -2.176 -12.590
73 HD2 TYR 13 HD1 TYR 13 -6.674 -5.582 -10.074
74 HE1 TYR 13 HE2 TYR 13 -8.700 -1.844 -12.549
75 HE2 TYR 13 HE1 TYR 13 -9.112 -5.261 -10.027
76 HH TYR 13 HH TYR 13 -10.665 -2.895 -10.453
77 H GLU 14 H GLU 14 -2.303 -3.946 -13.954
78 HA GLU 14 HA GLU 14 -0.318 -5.269 -12.259
79 HB2 GLU 14 1HB GLU 14 -0.564 -5.610 -15.247
80 HB3 GLU 14 2HB GLU 14 0.910 -5.975 -14.361
81 HG2 GLU 14 1HG GLU 14 -0.710 -7.447 -12.912
82 HG3 GLU 14 2HG GLU 14 -1.702 -7.392 -14.368
83 H CYS 15 H CYS 15 1.842 -4.418 -12.510
84 HA CYS 15 HA CYS 15 1.863 -1.693 -13.633
85 HB2 CYS 15 1HB CYS 15 1.925 -1.660 -11.184
86 HB3 CYS 15 2HB CYS 15 3.323 -2.729 -11.194
87 H ILE 16 H ILE 16 3.115 -1.558 -15.363
88 HA ILE 16 HA ILE 16 5.120 -3.530 -15.946
89 HB ILE 16 HB ILE 16 3.777 -2.542 -17.744
90 HG12 ILE 16 1HG1 ILE 16 5.827 -1.739 -19.166
91 HG13 ILE 16 2HG1 ILE 16 6.759 -2.220 -17.752
92 HG21 ILE 16 1HG2 ILE 16 5.255 0.015 -17.134
93 HG22 ILE 16 2HG2 ILE 16 4.118 -0.245 -18.456
94 HG23 ILE 16 3HG2 ILE 16 3.554 -0.293 -16.786
95 HD11 ILE 16 3HD1 ILE 16 5.392 -4.443 -18.011
96 HD12 ILE 16 1HD1 ILE 16 5.233 -3.886 -19.677
97 HD13 ILE 16 2HD1 ILE 16 6.834 -4.136 -18.980
98 H GLU 17 H GLU 17 5.089 -0.160 -14.909
99 HA GLU 17 HA GLU 17 7.586 0.741 -15.247
100 HB2 GLU 17 1HB GLU 17 5.590 1.607 -13.739
101 HB3 GLU 17 2HB GLU 17 6.558 0.906 -12.450
102 HG2 GLU 17 1HG GLU 17 7.287 3.136 -14.318
103 HG3 GLU 17 2HG GLU 17 7.155 3.176 -12.560
104 H CYS 18 H CYS 18 6.698 -1.361 -12.505
105 HA CYS 18 HA CYS 18 9.538 -2.112 -12.282
106 HB2 CYS 18 1HB CYS 18 8.934 -2.781 -9.928
107 HB3 CYS 18 2HB CYS 18 8.832 -1.054 -10.257
108 H GLY 19 H GLY 19 6.225 -3.315 -12.337
109 HA2 GLY 19 1HA GLY 19 5.828 -5.384 -13.574
110 HA3 GLY 19 2HA GLY 19 7.316 -6.006 -12.877
111 H LYS 20 H LYS 20 4.773 -4.236 -11.186
112 HA LYS 20 HA LYS 20 4.464 -6.538 -9.398
113 HB2 LYS 20 1HB LYS 20 3.956 -3.596 -9.113
114 HB3 LYS 20 2HB LYS 20 3.151 -4.735 -8.041
115 HG2 LYS 20 1HG LYS 20 5.336 -5.601 -7.339
116 HG3 LYS 20 2HG LYS 20 6.126 -4.421 -8.387
117 HD2 LYS 20 1HD LYS 20 5.493 -2.628 -7.059
118 HD3 LYS 20 2HD LYS 20 4.159 -3.517 -6.320
119 HE2 LYS 20 1HE LYS 20 5.520 -4.579 -4.818
120 HE3 LYS 20 2HE LYS 20 6.927 -4.511 -5.878
121 HZ1 LYS 20 3HZ LYS 20 7.555 -2.555 -5.036
122 HZ2 LYS 20 1HZ LYS 20 6.521 -2.916 -3.746
123 HZ3 LYS 20 2HZ LYS 20 5.983 -1.930 -5.010
124 H ALA 21 H ALA 21 2.083 -6.423 -8.357
125 HA ALA 21 HA ALA 21 0.064 -6.044 -10.425
126 HB1 ALA 21 3HB ALA 21 1.172 -8.596 -9.857
127 HB2 ALA 21 1HB ALA 21 -0.491 -8.574 -9.270
128 HB3 ALA 21 2HB ALA 21 -0.145 -8.186 -10.956
129 H PHE 22 H PHE 22 -2.100 -6.048 -9.614
130 HA PHE 22 HA PHE 22 -2.431 -6.114 -6.716
131 HB2 PHE 22 1HB PHE 22 -3.235 -3.713 -8.372
132 HB3 PHE 22 2HB PHE 22 -3.498 -3.922 -6.644
133 HD1 PHE 22 HD2 PHE 22 -0.741 -3.875 -9.150
134 HD2 PHE 22 HD1 PHE 22 -1.982 -3.017 -5.170
135 HE1 PHE 22 HE2 PHE 22 1.442 -2.834 -8.697
136 HE2 PHE 22 HE1 PHE 22 0.199 -1.974 -4.711
137 HZ PHE 22 HZ PHE 22 1.915 -1.883 -6.476
138 H LYS 23 H LYS 23 -4.745 -5.956 -6.085
139 HA LYS 23 HA LYS 23 -6.372 -7.428 -8.017
140 HB2 LYS 23 1HB LYS 23 -6.417 -7.096 -5.044
141 HB3 LYS 23 2HB LYS 23 -7.898 -7.555 -5.874
142 HG2 LYS 23 1HG LYS 23 -5.420 -9.083 -6.466
143 HG3 LYS 23 2HG LYS 23 -6.235 -9.357 -4.924
144 HD2 LYS 23 1HD LYS 23 -8.194 -10.108 -5.963
145 HD3 LYS 23 2HD LYS 23 -7.741 -9.411 -7.521
146 HE2 LYS 23 1HE LYS 23 -7.449 -11.769 -7.681
147 HE3 LYS 23 2HE LYS 23 -5.845 -11.043 -7.600
148 HZ1 LYS 23 3HZ LYS 23 -7.250 -12.153 -5.236
149 HZ2 LYS 23 1HZ LYS 23 -5.629 -11.680 -5.344
150 HZ3 LYS 23 2HZ LYS 23 -6.168 -13.048 -6.180
151 H THR 24 H THR 24 -6.131 -4.342 -6.498
152 HA THR 24 HA THR 24 -8.479 -3.441 -7.991
153 HB THR 24 HB THR 24 -9.202 -2.047 -6.027
154 HG1 THR 24 HG1 THR 24 -7.088 -2.483 -4.913
155 HG21 THR 24 3HG2 THR 24 -9.348 -4.938 -5.262
156 HG22 THR 24 1HG2 THR 24 -10.121 -4.376 -6.744
157 HG23 THR 24 2HG2 THR 24 -10.600 -3.698 -5.188
158 H LYS 25 H LYS 25 -8.301 -1.405 -8.805
159 HA LYS 25 HA LYS 25 -5.822 -0.246 -9.183
160 HB2 LYS 25 1HB LYS 25 -8.631 0.679 -9.505
161 HB3 LYS 25 2HB LYS 25 -7.370 1.904 -9.548
162 HG2 LYS 25 1HG LYS 25 -6.239 0.535 -11.322
163 HG3 LYS 25 2HG LYS 25 -7.691 -0.468 -11.367
164 HD2 LYS 25 1HD LYS 25 -9.031 1.354 -12.088
165 HD3 LYS 25 2HD LYS 25 -7.749 2.519 -11.749
166 HE2 LYS 25 1HE LYS 25 -6.392 1.569 -13.529
167 HE3 LYS 25 2HE LYS 25 -7.626 0.349 -13.842
168 HZ1 LYS 25 3HZ LYS 25 -7.651 2.298 -15.376
169 HZ2 LYS 25 1HZ LYS 25 -8.124 3.264 -14.070
170 HZ3 LYS 25 2HZ LYS 25 -9.123 2.004 -14.596
171 H SER 26 H SER 26 -8.357 0.775 -6.897
172 HA SER 26 HA SER 26 -7.378 2.956 -5.722
173 HB2 SER 26 1HB SER 26 -8.340 0.548 -4.158
174 HB3 SER 26 2HB SER 26 -8.318 2.215 -3.583
175 HG SER 26 HG SER 26 -10.011 0.982 -5.427
176 H SER 27 H SER 27 -6.006 -0.256 -5.387
177 HA SER 27 HA SER 27 -4.041 0.617 -3.447
178 HB2 SER 27 1HB SER 27 -4.808 -1.979 -4.694
179 HB3 SER 27 2HB SER 27 -3.162 -1.822 -4.081
180 HG SER 27 HG SER 27 -3.957 -1.426 -2.057
181 H LEU 28 H LEU 28 -3.857 -0.835 -6.702
182 HA LEU 28 HA LEU 28 -1.160 -0.429 -7.156
183 HB2 LEU 28 1HB LEU 28 -2.151 -1.756 -8.742
184 HB3 LEU 28 2HB LEU 28 -3.548 -0.694 -8.910
185 HG LEU 28 HG LEU 28 -2.006 0.923 -10.104
186 HD11 LEU 28 1HD1 LEU 28 -0.233 -1.426 -10.598
187 HD12 LEU 28 2HD1 LEU 28 0.040 -0.400 -9.191
188 HD13 LEU 28 3HD1 LEU 28 0.093 0.294 -10.811
189 HD21 LEU 28 3HD2 LEU 28 -2.903 -1.726 -11.127
190 HD22 LEU 28 1HD2 LEU 28 -1.927 -0.695 -12.174
191 HD23 LEU 28 2HD2 LEU 28 -3.464 -0.105 -11.541
192 H ILE 29 H ILE 29 -3.828 1.682 -8.234
193 HA ILE 29 HA ILE 29 -2.576 3.712 -9.444
194 HB ILE 29 HB ILE 29 -4.671 4.063 -7.297
195 HG12 ILE 29 1HG1 ILE 29 -4.880 3.695 -10.293
196 HG13 ILE 29 2HG1 ILE 29 -5.409 2.559 -9.057
197 HG21 ILE 29 1HG2 ILE 29 -4.607 5.983 -9.494
198 HG22 ILE 29 2HG2 ILE 29 -4.786 6.248 -7.761
199 HG23 ILE 29 3HG2 ILE 29 -3.180 6.044 -8.460
200 HD11 ILE 29 3HD1 ILE 29 -7.215 3.895 -8.441
201 HD12 ILE 29 1HD1 ILE 29 -6.546 5.323 -9.230
202 HD13 ILE 29 2HD1 ILE 29 -7.176 3.992 -10.201
203 H CYS 30 H CYS 30 -2.929 3.575 -5.896
204 HA CYS 30 HA CYS 30 -1.456 5.817 -5.245
205 HB2 CYS 30 1HB CYS 30 -2.795 4.263 -3.708
206 HB3 CYS 30 2HB CYS 30 -1.339 3.278 -3.624
207 HG CYS 30 HG CYS 30 -1.437 6.573 -2.708
208 H HIS 31 H HIS 31 -0.305 2.515 -5.813
209 HA HIS 31 HA HIS 31 2.407 3.030 -5.197
210 HB2 HIS 31 1HB HIS 31 1.908 0.768 -5.172
211 HB3 HIS 31 2HB HIS 31 0.940 0.858 -6.641
212 HD1 HIS 31 HD1 HIS 31 4.492 0.590 -5.462
213 HD2 HIS 31 HD2 HIS 31 2.339 0.484 -9.014
214 HE1 HIS 31 HE1 HIS 31 6.111 -0.224 -7.205
215 H ARG 32 H ARG 32 0.533 3.226 -8.172
216 HA ARG 32 HA ARG 32 2.613 3.514 -10.005
217 HB2 ARG 32 1HB ARG 32 -0.160 4.716 -10.024
218 HB3 ARG 32 2HB ARG 32 0.933 4.729 -11.402
219 HG2 ARG 32 1HG ARG 32 0.969 2.137 -10.990
220 HG3 ARG 32 2HG ARG 32 -0.570 2.468 -10.192
221 HD2 ARG 32 1HD ARG 32 0.080 3.408 -12.976
222 HD3 ARG 32 2HD ARG 32 -0.700 1.864 -12.640
223 HE ARG 32 HE ARG 32 -2.105 3.950 -11.361
224 HH11 ARG 32 1HH1 ARG 32 -1.498 2.615 -14.519
225 HH12 ARG 32 2HH1 ARG 32 -3.006 3.153 -15.180
226 HH21 ARG 32 1HH2 ARG 32 -4.094 4.663 -12.219
227 HH22 ARG 32 2HH2 ARG 32 -4.482 4.319 -13.871
228 H ARG 33 H ARG 33 0.897 5.981 -8.115
229 HA ARG 33 HA ARG 33 2.293 8.193 -9.188
230 HB2 ARG 33 1HB ARG 33 1.259 8.306 -6.398
231 HB3 ARG 33 2HB ARG 33 1.106 9.477 -7.701
232 HG2 ARG 33 1HG ARG 33 -0.394 7.560 -8.747
233 HG3 ARG 33 2HG ARG 33 -0.580 7.131 -7.045
234 HD2 ARG 33 1HD ARG 33 -2.359 8.628 -7.723
235 HD3 ARG 33 2HD ARG 33 -1.301 9.432 -6.565
236 HE ARG 33 HE ARG 33 -0.470 10.004 -9.203
237 HH11 ARG 33 1HH1 ARG 33 -2.978 10.753 -6.908
238 HH12 ARG 33 2HH1 ARG 33 -3.302 12.318 -7.576
239 HH21 ARG 33 1HH2 ARG 33 -0.887 12.063 -10.091
240 HH22 ARG 33 2HH2 ARG 33 -2.113 13.062 -9.387
241 H SER 34 H SER 34 2.893 6.064 -6.453
242 HA SER 34 HA SER 34 4.822 7.451 -5.069
243 HB2 SER 34 1HB SER 34 3.812 5.131 -4.583
244 HB3 SER 34 2HB SER 34 5.101 4.499 -5.608
245 HG SER 34 HG SER 34 5.462 6.107 -3.295
246 H HIS 35 H HIS 35 5.316 5.308 -7.864
247 HA HIS 35 HA HIS 35 7.976 5.223 -8.175
248 HB2 HIS 35 1HB HIS 35 5.780 5.590 -10.166
249 HB3 HIS 35 2HB HIS 35 7.446 5.690 -10.728
250 HD1 HIS 35 HD1 HIS 35 8.895 3.467 -9.577
251 HD2 HIS 35 HD2 HIS 35 4.868 3.085 -10.527
252 HE1 HIS 35 HE1 HIS 35 8.490 0.996 -9.807
253 H THR 36 H THR 36 6.076 7.919 -9.541
254 HA THR 36 HA THR 36 8.249 9.522 -10.237
255 HB THR 36 HB THR 36 5.884 9.880 -10.983
256 HG1 THR 36 HG1 THR 36 6.220 12.054 -11.211
257 HG21 THR 36 3HG2 THR 36 4.336 10.033 -9.374
258 HG22 THR 36 1HG2 THR 36 4.916 11.677 -9.116
259 HG23 THR 36 2HG2 THR 36 5.547 10.356 -8.133
260 H GLY 37 H GLY 37 9.045 11.484 -9.263
261 HA2 GLY 37 1HA GLY 37 9.481 12.918 -7.458
262 HA3 GLY 37 2HA GLY 37 8.535 11.862 -6.419
263 H GLU 38 H GLU 38 11.258 11.042 -8.536
264 HA GLU 38 HA GLU 38 12.920 10.534 -6.181
265 HB2 GLU 38 1HB GLU 38 12.170 8.505 -8.277
266 HB3 GLU 38 2HB GLU 38 13.619 8.338 -7.296
267 HG2 GLU 38 1HG GLU 38 12.300 8.267 -5.281
268 HG3 GLU 38 2HG GLU 38 10.827 8.570 -6.200
269 H LYS 39 H LYS 39 15.150 10.569 -6.571
270 HA LYS 39 HA LYS 39 15.971 11.396 -9.272
271 HB2 LYS 39 1HB LYS 39 16.862 12.652 -6.670
272 HB3 LYS 39 2HB LYS 39 17.519 13.035 -8.255
273 HG2 LYS 39 1HG LYS 39 14.589 13.314 -7.779
274 HG3 LYS 39 2HG LYS 39 15.696 14.552 -7.180
275 HD2 LYS 39 1HD LYS 39 15.826 13.606 -10.023
276 HD3 LYS 39 2HD LYS 39 14.666 14.841 -9.529
277 HE2 LYS 39 1HE LYS 39 16.405 16.305 -8.826
278 HE3 LYS 39 2HE LYS 39 17.621 15.038 -8.984
279 HZ1 LYS 39 3HZ LYS 39 17.971 16.043 -10.951
280 HZ2 LYS 39 1HZ LYS 39 16.424 16.724 -11.023
281 HZ3 LYS 39 2HZ LYS 39 16.657 15.106 -11.459
282 HA PRO 40 HA PRO 40 19.075 8.304 -8.831
283 HB2 PRO 40 1HB PRO 40 20.844 9.207 -10.682
284 HB3 PRO 40 2HB PRO 40 19.314 8.434 -11.113
285 HG2 PRO 40 1HG PRO 40 20.000 11.346 -11.007
286 HG3 PRO 40 2HG PRO 40 19.074 10.459 -12.231
287 HD2 PRO 40 1HD PRO 40 17.890 11.942 -10.300
288 HD3 PRO 40 2HD PRO 40 17.148 10.473 -10.965
289 H SER 41 H SER 41 20.019 8.503 -6.840
290 HA SER 41 HA SER 41 21.833 10.696 -6.281
291 HB2 SER 41 1HB SER 41 20.195 9.602 -4.608
292 HB3 SER 41 2HB SER 41 21.391 8.310 -4.497
293 HG SER 41 HG SER 41 21.398 10.671 -3.275
294 H GLY 42 H GLY 42 23.536 10.354 -7.724
295 HA2 GLY 42 1HA GLY 42 25.702 9.645 -8.124
296 HA3 GLY 42 2HA GLY 42 25.539 8.518 -6.785
297 HA PRO 43 HA PRO 43 25.688 6.064 -10.709
298 HB2 PRO 43 1HB PRO 43 27.434 4.216 -9.757
299 HB3 PRO 43 2HB PRO 43 27.952 5.737 -10.494
300 HG2 PRO 43 1HG PRO 43 27.706 5.023 -7.597
301 HG3 PRO 43 2HG PRO 43 28.998 5.913 -8.424
302 HD2 PRO 43 1HD PRO 43 27.056 7.151 -7.001
303 HD3 PRO 43 2HD PRO 43 27.805 7.885 -8.434
304 H SER 44 H SER 44 25.375 3.615 -10.896
305 HA SER 44 HA SER 44 23.444 2.770 -8.840
306 HB2 SER 44 1HB SER 44 22.688 3.151 -11.272
307 HB3 SER 44 2HB SER 44 23.568 1.669 -11.643
308 HG SER 44 HG SER 44 21.270 2.033 -10.072
309 H SER 45 H SER 45 25.139 1.885 -7.534
310 HA SER 45 HA SER 45 26.339 -0.574 -8.622
311 HB2 SER 45 1HB SER 45 28.039 -0.351 -6.852
312 HB3 SER 45 2HB SER 45 27.990 1.083 -7.878
313 HG SER 45 HG SER 45 26.675 0.835 -5.374
314 H GLY 46 H GLY 46 24.945 -2.181 -8.150
315 HA2 GLY 46 1HA GLY 46 24.712 -3.091 -5.479
316 HA3 GLY 46 2HA GLY 46 23.211 -2.324 -5.975
Start of MODEL 11
1 H1 GLY 1 H GLY 1 11.697 -16.538 -18.174
2 HA2 GLY 1 1HA GLY 1 10.153 -16.757 -16.160
3 HA3 GLY 1 2HA GLY 1 9.744 -15.460 -17.273
4 H SER 2 H SER 2 7.737 -15.415 -18.037
5 HA SER 2 HA SER 2 6.001 -17.697 -17.499
6 HB2 SER 2 1HB SER 2 5.333 -15.377 -16.821
7 HB3 SER 2 2HB SER 2 5.239 -14.956 -18.531
8 HG SER 2 HG SER 2 3.293 -15.720 -18.440
9 H SER 3 H SER 3 5.374 -19.077 -19.018
10 HA SER 3 HA SER 3 6.054 -18.505 -21.803
11 HB2 SER 3 1HB SER 3 5.245 -21.068 -20.412
12 HB3 SER 3 2HB SER 3 5.566 -20.943 -22.142
13 HG SER 3 HG SER 3 7.381 -20.453 -20.016
14 H GLY 4 H GLY 4 4.491 -17.375 -22.799
15 HA2 GLY 4 1HA GLY 4 2.478 -17.352 -24.024
16 HA3 GLY 4 2HA GLY 4 1.844 -18.601 -22.962
17 H SER 5 H SER 5 -0.077 -17.189 -23.003
18 HA SER 5 HA SER 5 0.106 -14.690 -21.552
19 HB2 SER 5 1HB SER 5 -1.488 -15.271 -23.534
20 HB3 SER 5 2HB SER 5 -2.485 -16.021 -22.287
21 HG SER 5 HG SER 5 -3.193 -14.076 -21.956
22 H SER 6 H SER 6 -0.285 -14.393 -19.449
23 HA SER 6 HA SER 6 -0.665 -16.673 -17.751
24 HB2 SER 6 1HB SER 6 -0.623 -13.733 -17.026
25 HB3 SER 6 2HB SER 6 -0.453 -15.085 -15.907
26 HG SER 6 HG SER 6 1.316 -14.462 -18.040
27 H GLY 7 H GLY 7 -2.275 -16.342 -15.826
28 HA2 GLY 7 1HA GLY 7 -4.900 -16.358 -16.986
29 HA3 GLY 7 2HA GLY 7 -4.505 -16.625 -15.295
30 H THR 8 H THR 8 -5.194 -14.214 -17.740
31 HA THR 8 HA THR 8 -5.178 -12.044 -15.819
32 HB THR 8 HB THR 8 -6.102 -11.991 -18.697
33 HG1 THR 8 HG1 THR 8 -3.736 -12.530 -17.988
34 HG21 THR 8 3HG2 THR 8 -5.193 -9.757 -16.879
35 HG22 THR 8 1HG2 THR 8 -6.873 -10.114 -17.276
36 HG23 THR 8 2HG2 THR 8 -5.759 -9.597 -18.541
37 H GLY 9 H GLY 9 -6.846 -11.639 -14.532
38 HA2 GLY 9 1HA GLY 9 -9.462 -11.221 -15.345
39 HA3 GLY 9 2HA GLY 9 -9.375 -12.901 -14.838
40 H GLN 10 H GLN 10 -7.749 -12.854 -12.683
41 HA GLN 10 HA GLN 10 -9.455 -11.702 -10.690
42 HB2 GLN 10 1HB GLN 10 -8.391 -13.875 -10.335
43 HB3 GLN 10 2HB GLN 10 -6.802 -13.126 -10.424
44 HG2 GLN 10 1HG GLN 10 -6.959 -12.206 -8.345
45 HG3 GLN 10 2HG GLN 10 -8.718 -12.106 -8.401
46 HE21 GLN 10 1HE2 GLN 10 -8.260 -12.965 -6.159
47 HE22 GLN 10 2HE2 GLN 10 -8.243 -14.683 -5.979
48 H ARG 11 H ARG 11 -6.111 -11.140 -11.747
49 HA ARG 11 HA ARG 11 -6.193 -8.558 -10.327
50 HB2 ARG 11 1HB ARG 11 -3.686 -8.732 -10.275
51 HB3 ARG 11 2HB ARG 11 -4.529 -9.921 -9.292
52 HG2 ARG 11 1HG ARG 11 -4.274 -11.503 -11.266
53 HG3 ARG 11 2HG ARG 11 -3.132 -10.324 -11.915
54 HD2 ARG 11 1HD ARG 11 -1.731 -11.752 -10.768
55 HD3 ARG 11 2HD ARG 11 -2.034 -10.502 -9.562
56 HE ARG 11 HE ARG 11 -3.844 -12.745 -9.445
57 HH11 ARG 11 1HH1 ARG 11 -0.825 -11.404 -8.347
58 HH12 ARG 11 2HH1 ARG 11 -0.765 -12.375 -6.914
59 HH21 ARG 11 1HH2 ARG 11 -3.776 -14.030 -7.562
60 HH22 ARG 11 2HH2 ARG 11 -2.443 -13.869 -6.469
61 HA PRO 12 HA PRO 12 -5.900 -7.744 -14.895
62 HB2 PRO 12 1HB PRO 12 -7.783 -5.788 -14.907
63 HB3 PRO 12 2HB PRO 12 -8.178 -7.502 -15.082
64 HG2 PRO 12 1HG PRO 12 -8.324 -5.763 -12.650
65 HG3 PRO 12 2HG PRO 12 -9.483 -6.972 -13.232
66 HD2 PRO 12 1HD PRO 12 -7.726 -7.481 -11.235
67 HD3 PRO 12 2HD PRO 12 -8.270 -8.733 -12.370
68 H TYR 13 H TYR 13 -5.374 -6.082 -11.991
69 HA TYR 13 HA TYR 13 -4.372 -3.680 -13.332
70 HB2 TYR 13 1HB TYR 13 -4.442 -4.152 -10.357
71 HB3 TYR 13 2HB TYR 13 -4.373 -2.617 -11.216
72 HD1 TYR 13 HD2 TYR 13 -6.475 -2.454 -13.003
73 HD2 TYR 13 HD1 TYR 13 -6.442 -4.545 -9.297
74 HE1 TYR 13 HE2 TYR 13 -8.925 -2.276 -12.887
75 HE2 TYR 13 HE1 TYR 13 -8.893 -4.373 -9.172
76 HH TYR 13 HH TYR 13 -10.811 -4.097 -10.950
77 H GLU 14 H GLU 14 -2.382 -3.982 -14.125
78 HA GLU 14 HA GLU 14 -0.338 -5.056 -12.297
79 HB2 GLU 14 1HB GLU 14 -0.315 -5.443 -15.290
80 HB3 GLU 14 2HB GLU 14 0.762 -6.173 -14.108
81 HG2 GLU 14 1HG GLU 14 -0.954 -7.570 -13.271
82 HG3 GLU 14 2HG GLU 14 -2.196 -6.688 -14.157
83 H CYS 15 H CYS 15 1.692 -4.093 -12.369
84 HA CYS 15 HA CYS 15 1.721 -1.440 -13.615
85 HB2 CYS 15 1HB CYS 15 2.142 -1.354 -11.264
86 HB3 CYS 15 2HB CYS 15 3.329 -2.650 -11.365
87 H ILE 16 H ILE 16 3.372 -0.754 -14.949
88 HA ILE 16 HA ILE 16 4.976 -2.906 -16.134
89 HB ILE 16 HB ILE 16 3.593 -1.711 -17.722
90 HG12 ILE 16 1HG1 ILE 16 6.374 -0.673 -18.198
91 HG13 ILE 16 2HG1 ILE 16 6.045 -2.402 -18.217
92 HG21 ILE 16 1HG2 ILE 16 4.252 0.534 -16.152
93 HG22 ILE 16 2HG2 ILE 16 4.871 0.843 -17.773
94 HG23 ILE 16 3HG2 ILE 16 3.166 0.459 -17.540
95 HD11 ILE 16 3HD1 ILE 16 5.193 -0.285 -20.117
96 HD12 ILE 16 1HD1 ILE 16 5.833 -1.898 -20.430
97 HD13 ILE 16 2HD1 ILE 16 4.163 -1.700 -19.899
98 H GLU 17 H GLU 17 5.214 0.032 -14.331
99 HA GLU 17 HA GLU 17 7.785 0.886 -14.923
100 HB2 GLU 17 1HB GLU 17 5.927 1.816 -13.287
101 HB3 GLU 17 2HB GLU 17 6.860 0.935 -12.085
102 HG2 GLU 17 1HG GLU 17 7.406 3.389 -12.410
103 HG3 GLU 17 2HG GLU 17 8.757 2.256 -12.414
104 H CYS 18 H CYS 18 6.911 -1.093 -12.085
105 HA CYS 18 HA CYS 18 9.643 -2.168 -12.086
106 HB2 CYS 18 1HB CYS 18 9.115 -2.900 -9.767
107 HB3 CYS 18 2HB CYS 18 8.990 -1.158 -9.988
108 H GLY 19 H GLY 19 6.258 -3.219 -11.764
109 HA2 GLY 19 1HA GLY 19 5.639 -5.139 -13.217
110 HA3 GLY 19 2HA GLY 19 7.126 -5.896 -12.668
111 H LYS 20 H LYS 20 4.321 -4.311 -11.134
112 HA LYS 20 HA LYS 20 4.053 -6.687 -9.416
113 HB2 LYS 20 1HB LYS 20 3.921 -3.777 -8.642
114 HB3 LYS 20 2HB LYS 20 3.232 -5.047 -7.638
115 HG2 LYS 20 1HG LYS 20 5.406 -6.075 -7.385
116 HG3 LYS 20 2HG LYS 20 6.121 -4.883 -8.473
117 HD2 LYS 20 1HD LYS 20 6.644 -3.942 -6.453
118 HD3 LYS 20 2HD LYS 20 5.076 -3.185 -6.745
119 HE2 LYS 20 1HE LYS 20 5.290 -5.771 -5.243
120 HE3 LYS 20 2HE LYS 20 5.546 -4.228 -4.430
121 HZ1 LYS 20 3HZ LYS 20 3.115 -5.471 -5.119
122 HZ2 LYS 20 1HZ LYS 20 3.217 -3.987 -5.926
123 HZ3 LYS 20 2HZ LYS 20 3.362 -4.046 -4.242
124 H ALA 21 H ALA 21 1.964 -7.304 -8.860
125 HA ALA 21 HA ALA 21 -0.161 -6.015 -10.443
126 HB1 ALA 21 3HB ALA 21 -0.202 -8.111 -11.305
127 HB2 ALA 21 1HB ALA 21 0.467 -8.844 -9.847
128 HB3 ALA 21 2HB ALA 21 -1.239 -8.398 -9.907
129 H PHE 22 H PHE 22 -2.168 -5.627 -9.508
130 HA PHE 22 HA PHE 22 -2.347 -6.011 -6.597
131 HB2 PHE 22 1HB PHE 22 -3.202 -3.512 -8.071
132 HB3 PHE 22 2HB PHE 22 -3.297 -3.789 -6.335
133 HD1 PHE 22 HD2 PHE 22 -1.020 -3.203 -9.162
134 HD2 PHE 22 HD1 PHE 22 -1.394 -3.522 -4.934
135 HE1 PHE 22 HE2 PHE 22 1.236 -2.258 -8.894
136 HE2 PHE 22 HE1 PHE 22 0.861 -2.576 -4.660
137 HZ PHE 22 HZ PHE 22 2.179 -1.943 -6.641
138 H LYS 23 H LYS 23 -4.274 -6.705 -5.848
139 HA LYS 23 HA LYS 23 -6.164 -7.790 -7.631
140 HB2 LYS 23 1HB LYS 23 -5.631 -8.390 -5.151
141 HB3 LYS 23 2HB LYS 23 -6.826 -7.157 -4.772
142 HG2 LYS 23 1HG LYS 23 -7.495 -9.346 -6.690
143 HG3 LYS 23 2HG LYS 23 -7.546 -9.638 -4.950
144 HD2 LYS 23 1HD LYS 23 -8.994 -7.516 -4.846
145 HD3 LYS 23 2HD LYS 23 -9.178 -7.724 -6.589
146 HE2 LYS 23 1HE LYS 23 -10.330 -9.726 -6.353
147 HE3 LYS 23 2HE LYS 23 -9.709 -10.007 -4.727
148 HZ1 LYS 23 3HZ LYS 23 -11.137 -8.361 -3.851
149 HZ2 LYS 23 1HZ LYS 23 -12.095 -9.315 -4.868
150 HZ3 LYS 23 2HZ LYS 23 -11.568 -7.794 -5.385
151 H THR 24 H THR 24 -6.228 -4.865 -5.625
152 HA THR 24 HA THR 24 -8.688 -4.029 -7.004
153 HB THR 24 HB THR 24 -8.854 -2.311 -5.174
154 HG1 THR 24 HG1 THR 24 -7.521 -3.136 -3.248
155 HG21 THR 24 3HG2 THR 24 -8.861 -5.242 -4.473
156 HG22 THR 24 1HG2 THR 24 -10.224 -4.251 -4.988
157 HG23 THR 24 2HG2 THR 24 -9.494 -3.991 -3.404
158 H LYS 25 H LYS 25 -8.765 -2.184 -8.187
159 HA LYS 25 HA LYS 25 -6.489 -1.168 -9.391
160 HB2 LYS 25 1HB LYS 25 -9.016 -0.917 -9.999
161 HB3 LYS 25 2HB LYS 25 -8.920 0.552 -9.037
162 HG2 LYS 25 1HG LYS 25 -7.001 1.256 -10.502
163 HG3 LYS 25 2HG LYS 25 -7.399 -0.114 -11.542
164 HD2 LYS 25 1HD LYS 25 -9.800 0.902 -11.489
165 HD3 LYS 25 2HD LYS 25 -8.964 2.377 -10.998
166 HE2 LYS 25 1HE LYS 25 -7.555 2.226 -13.005
167 HE3 LYS 25 2HE LYS 25 -8.425 0.773 -13.497
168 HZ1 LYS 25 3HZ LYS 25 -9.114 3.462 -13.942
169 HZ2 LYS 25 1HZ LYS 25 -10.320 2.748 -12.993
170 HZ3 LYS 25 2HZ LYS 25 -9.903 2.068 -14.484
171 H SER 26 H SER 26 -8.440 0.409 -6.854
172 HA SER 26 HA SER 26 -7.175 2.704 -6.381
173 HB2 SER 26 1HB SER 26 -8.232 0.662 -4.462
174 HB3 SER 26 2HB SER 26 -7.413 2.090 -3.830
175 HG SER 26 HG SER 26 -9.716 1.999 -5.481
176 H SER 27 H SER 27 -6.044 -0.316 -4.851
177 HA SER 27 HA SER 27 -3.774 0.521 -3.636
178 HB2 SER 27 1HB SER 27 -4.775 -1.886 -3.957
179 HB3 SER 27 2HB SER 27 -3.605 -1.984 -5.273
180 HG SER 27 HG SER 27 -1.972 -1.491 -3.751
181 H LEU 28 H LEU 28 -4.017 -0.396 -7.064
182 HA LEU 28 HA LEU 28 -1.319 0.185 -7.688
183 HB2 LEU 28 1HB LEU 28 -2.434 -1.246 -9.166
184 HB3 LEU 28 2HB LEU 28 -3.810 -0.155 -9.321
185 HG LEU 28 HG LEU 28 -2.187 1.429 -10.510
186 HD11 LEU 28 1HD1 LEU 28 -0.353 0.123 -11.690
187 HD12 LEU 28 2HD1 LEU 28 -0.574 -1.103 -10.442
188 HD13 LEU 28 3HD1 LEU 28 -0.081 0.530 -9.996
189 HD21 LEU 28 3HD2 LEU 28 -3.033 -1.201 -11.714
190 HD22 LEU 28 1HD2 LEU 28 -2.439 0.170 -12.650
191 HD23 LEU 28 2HD2 LEU 28 -3.928 0.319 -11.717
192 H ILE 29 H ILE 29 -4.304 2.068 -7.918
193 HA ILE 29 HA ILE 29 -3.563 4.258 -9.334
194 HB ILE 29 HB ILE 29 -5.099 4.320 -6.733
195 HG12 ILE 29 1HG1 ILE 29 -6.192 2.810 -8.219
196 HG13 ILE 29 2HG1 ILE 29 -7.078 4.328 -8.316
197 HG21 ILE 29 1HG2 ILE 29 -5.014 6.533 -6.993
198 HG22 ILE 29 2HG2 ILE 29 -4.339 6.397 -8.616
199 HG23 ILE 29 3HG2 ILE 29 -6.084 6.302 -8.375
200 HD11 ILE 29 3HD1 ILE 29 -5.046 3.327 -10.297
201 HD12 ILE 29 1HD1 ILE 29 -6.796 3.348 -10.509
202 HD13 ILE 29 2HD1 ILE 29 -5.904 4.865 -10.393
203 H CYS 30 H CYS 30 -2.725 3.583 -5.963
204 HA CYS 30 HA CYS 30 -1.239 6.050 -5.707
205 HB2 CYS 30 1HB CYS 30 -2.363 5.294 -3.735
206 HB3 CYS 30 2HB CYS 30 -1.646 3.693 -3.865
207 HG CYS 30 HG CYS 30 0.490 6.285 -3.511
208 H HIS 31 H HIS 31 -0.589 2.655 -6.278
209 HA HIS 31 HA HIS 31 2.159 2.609 -5.785
210 HB2 HIS 31 1HB HIS 31 0.951 0.552 -6.124
211 HB3 HIS 31 2HB HIS 31 0.497 1.032 -7.757
212 HD1 HIS 31 HD1 HIS 31 3.826 0.661 -5.929
213 HD2 HIS 31 HD2 HIS 31 2.007 -0.306 -9.537
214 HE1 HIS 31 HE1 HIS 31 5.577 -0.560 -7.259
215 H ARG 32 H ARG 32 0.401 3.309 -8.794
216 HA ARG 32 HA ARG 32 2.561 3.642 -10.495
217 HB2 ARG 32 1HB ARG 32 -0.071 5.130 -10.472
218 HB3 ARG 32 2HB ARG 32 1.066 5.131 -11.813
219 HG2 ARG 32 1HG ARG 32 0.794 2.532 -11.645
220 HG3 ARG 32 2HG ARG 32 -0.717 2.958 -10.839
221 HD2 ARG 32 1HD ARG 32 -1.223 2.696 -13.140
222 HD3 ARG 32 2HD ARG 32 -1.228 4.429 -12.814
223 HE ARG 32 HE ARG 32 0.578 4.669 -14.209
224 HH11 ARG 32 1HH1 ARG 32 0.114 1.297 -13.481
225 HH12 ARG 32 2HH1 ARG 32 1.269 0.751 -14.652
226 HH21 ARG 32 1HH2 ARG 32 2.102 3.964 -15.753
227 HH22 ARG 32 2HH2 ARG 32 2.400 2.269 -15.942
228 H ARG 33 H ARG 33 1.557 5.598 -7.866
229 HA ARG 33 HA ARG 33 2.933 7.977 -8.789
230 HB2 ARG 33 1HB ARG 33 2.033 7.679 -5.964
231 HB3 ARG 33 2HB ARG 33 1.960 9.081 -7.023
232 HG2 ARG 33 1HG ARG 33 0.168 6.664 -7.128
233 HG3 ARG 33 2HG ARG 33 -0.264 8.276 -6.554
234 HD2 ARG 33 1HD ARG 33 0.806 7.938 -9.319
235 HD3 ARG 33 2HD ARG 33 -0.873 7.517 -8.985
236 HE ARG 33 HE ARG 33 0.242 10.146 -9.160
237 HH11 ARG 33 1HH1 ARG 33 -2.267 8.231 -7.691
238 HH12 ARG 33 2HH1 ARG 33 -3.336 9.574 -7.456
239 HH21 ARG 33 1HH2 ARG 33 -1.157 11.923 -8.858
240 HH22 ARG 33 2HH2 ARG 33 -2.704 11.673 -8.122
241 H SER 34 H SER 34 3.378 5.448 -6.356
242 HA SER 34 HA SER 34 5.507 6.353 -4.925
243 HB2 SER 34 1HB SER 34 5.181 3.542 -6.004
244 HB3 SER 34 2HB SER 34 6.193 4.007 -4.637
245 HG SER 34 HG SER 34 3.590 3.431 -4.655
246 H HIS 35 H HIS 35 5.460 5.526 -8.273
247 HA HIS 35 HA HIS 35 8.360 5.402 -8.475
248 HB2 HIS 35 1HB HIS 35 6.281 5.294 -10.670
249 HB3 HIS 35 2HB HIS 35 7.991 4.901 -10.828
250 HD1 HIS 35 HD1 HIS 35 8.619 2.916 -8.818
251 HD2 HIS 35 HD2 HIS 35 4.853 3.017 -10.570
252 HE1 HIS 35 HE1 HIS 35 7.658 0.617 -8.480
253 H THR 36 H THR 36 6.883 7.873 -7.665
254 HA THR 36 HA THR 36 8.408 9.715 -9.243
255 HB THR 36 HB THR 36 6.315 11.114 -9.799
256 HG1 THR 36 HG1 THR 36 5.213 8.628 -9.094
257 HG21 THR 36 3HG2 THR 36 7.848 9.626 -11.336
258 HG22 THR 36 1HG2 THR 36 6.354 10.323 -11.959
259 HG23 THR 36 2HG2 THR 36 6.395 8.633 -11.455
260 H GLY 37 H GLY 37 8.855 11.539 -8.114
261 HA2 GLY 37 1HA GLY 37 7.152 12.648 -6.130
262 HA3 GLY 37 2HA GLY 37 8.408 11.676 -5.379
263 H GLU 38 H GLU 38 7.747 14.520 -7.315
264 HA GLU 38 HA GLU 38 9.905 15.958 -6.182
265 HB2 GLU 38 1HB GLU 38 11.303 16.254 -8.153
266 HB3 GLU 38 2HB GLU 38 11.220 14.554 -7.715
267 HG2 GLU 38 1HG GLU 38 9.531 14.207 -9.468
268 HG3 GLU 38 2HG GLU 38 9.693 15.901 -9.931
269 H LYS 39 H LYS 39 10.143 18.141 -7.191
270 HA LYS 39 HA LYS 39 7.595 18.982 -8.411
271 HB2 LYS 39 1HB LYS 39 9.372 20.412 -6.435
272 HB3 LYS 39 2HB LYS 39 8.075 21.211 -7.313
273 HG2 LYS 39 1HG LYS 39 7.009 20.697 -5.362
274 HG3 LYS 39 2HG LYS 39 6.625 19.266 -6.322
275 HD2 LYS 39 1HD LYS 39 8.175 17.942 -5.189
276 HD3 LYS 39 2HD LYS 39 9.062 19.340 -4.577
277 HE2 LYS 39 1HE LYS 39 6.220 19.002 -3.765
278 HE3 LYS 39 2HE LYS 39 7.427 17.943 -3.037
279 HZ1 LYS 39 3HZ LYS 39 6.961 20.763 -2.624
280 HZ2 LYS 39 1HZ LYS 39 8.592 20.353 -2.819
281 HZ3 LYS 39 2HZ LYS 39 7.675 19.621 -1.600
282 HA PRO 40 HA PRO 40 10.791 19.939 -11.554
283 HB2 PRO 40 1HB PRO 40 9.118 19.583 -13.661
284 HB3 PRO 40 2HB PRO 40 9.971 18.249 -12.876
285 HG2 PRO 40 1HG PRO 40 7.143 19.162 -12.516
286 HG3 PRO 40 2HG PRO 40 7.777 17.512 -12.656
287 HD2 PRO 40 1HD PRO 40 7.126 18.625 -10.275
288 HD3 PRO 40 2HD PRO 40 8.441 17.444 -10.450
289 H SER 41 H SER 41 11.038 22.115 -11.268
290 HA SER 41 HA SER 41 9.032 24.051 -11.324
291 HB2 SER 41 1HB SER 41 10.865 25.676 -11.694
292 HB3 SER 41 2HB SER 41 11.255 24.514 -10.427
293 HG SER 41 HG SER 41 12.345 24.813 -12.975
294 H GLY 42 H GLY 42 8.437 25.589 -12.921
295 HA2 GLY 42 1HA GLY 42 8.946 24.691 -15.691
296 HA3 GLY 42 2HA GLY 42 7.356 25.206 -15.148
297 HA PRO 43 HA PRO 43 10.257 28.797 -16.554
298 HB2 PRO 43 1HB PRO 43 9.839 28.826 -19.236
299 HB3 PRO 43 2HB PRO 43 11.170 27.941 -18.481
300 HG2 PRO 43 1HG PRO 43 8.522 26.925 -19.439
301 HG3 PRO 43 2HG PRO 43 10.132 26.208 -19.632
302 HD2 PRO 43 1HD PRO 43 8.375 25.360 -17.755
303 HD3 PRO 43 2HD PRO 43 10.132 25.325 -17.503
304 H SER 44 H SER 44 7.095 27.807 -16.600
305 HA SER 44 HA SER 44 5.117 28.934 -16.517
306 HB2 SER 44 1HB SER 44 6.585 30.669 -15.333
307 HB3 SER 44 2HB SER 44 6.633 31.517 -16.878
308 HG SER 44 HG SER 44 4.197 31.245 -16.700
309 H SER 45 H SER 45 5.976 27.881 -18.937
310 HA SER 45 HA SER 45 5.591 29.826 -21.031
311 HB2 SER 45 1HB SER 45 5.816 26.808 -21.120
312 HB3 SER 45 2HB SER 45 5.739 27.850 -22.542
313 HG SER 45 HG SER 45 7.900 27.161 -21.592
314 H GLY 46 H GLY 46 3.504 30.633 -20.531
315 HA2 GLY 46 1HA GLY 46 1.189 30.622 -20.460
316 HA3 GLY 46 2HA GLY 46 1.398 29.787 -21.992
Start of MODEL 12
1 H1 GLY 1 H GLY 1 14.216 -20.214 -29.642
2 HA2 GLY 1 1HA GLY 1 12.976 -21.509 -31.351
3 HA3 GLY 1 2HA GLY 1 13.477 -22.951 -30.481
4 H SER 2 H SER 2 12.132 -19.862 -29.342
5 HA SER 2 HA SER 2 10.485 -19.468 -27.796
6 HB2 SER 2 1HB SER 2 8.272 -20.267 -28.515
7 HB3 SER 2 2HB SER 2 9.208 -19.676 -29.888
8 HG SER 2 HG SER 2 8.086 -22.027 -29.635
9 H SER 3 H SER 3 12.263 -21.374 -26.843
10 HA SER 3 HA SER 3 10.720 -23.577 -25.751
11 HB2 SER 3 1HB SER 3 12.859 -24.282 -24.745
12 HB3 SER 3 2HB SER 3 13.027 -23.989 -26.476
13 HG SER 3 HG SER 3 13.527 -21.850 -24.766
14 H GLY 4 H GLY 4 9.243 -22.649 -24.354
15 HA2 GLY 4 1HA GLY 4 10.295 -21.925 -21.761
16 HA3 GLY 4 2HA GLY 4 9.463 -20.615 -22.585
17 H SER 5 H SER 5 8.202 -20.933 -20.476
18 HA SER 5 HA SER 5 6.092 -22.947 -20.895
19 HB2 SER 5 1HB SER 5 7.251 -21.765 -18.381
20 HB3 SER 5 2HB SER 5 5.655 -22.514 -18.384
21 HG SER 5 HG SER 5 7.877 -23.755 -18.066
22 H SER 6 H SER 6 3.937 -22.271 -19.956
23 HA SER 6 HA SER 6 3.361 -19.549 -20.873
24 HB2 SER 6 1HB SER 6 1.735 -22.053 -20.605
25 HB3 SER 6 2HB SER 6 0.921 -20.489 -20.615
26 HG SER 6 HG SER 6 1.024 -21.005 -22.714
27 H GLY 7 H GLY 7 1.369 -18.565 -19.666
28 HA2 GLY 7 1HA GLY 7 1.805 -18.889 -16.762
29 HA3 GLY 7 2HA GLY 7 1.671 -17.305 -17.512
30 H THR 8 H THR 8 -0.036 -17.166 -15.789
31 HA THR 8 HA THR 8 -2.610 -17.722 -17.015
32 HB THR 8 HB THR 8 -2.025 -18.667 -14.203
33 HG1 THR 8 HG1 THR 8 -1.582 -20.531 -15.090
34 HG21 THR 8 3HG2 THR 8 -4.487 -18.243 -15.753
35 HG22 THR 8 1HG2 THR 8 -4.247 -18.326 -14.009
36 HG23 THR 8 2HG2 THR 8 -4.375 -19.810 -14.953
37 H GLY 9 H GLY 9 -4.077 -16.153 -16.610
38 HA2 GLY 9 1HA GLY 9 -3.453 -13.663 -15.749
39 HA3 GLY 9 2HA GLY 9 -5.074 -14.326 -15.603
40 H GLN 10 H GLN 10 -2.953 -12.677 -13.908
41 HA GLN 10 HA GLN 10 -3.430 -14.129 -11.393
42 HB2 GLN 10 1HB GLN 10 -1.259 -12.233 -12.246
43 HB3 GLN 10 2HB GLN 10 -1.585 -12.534 -10.544
44 HG2 GLN 10 1HG GLN 10 -1.367 -15.038 -11.243
45 HG3 GLN 10 2HG GLN 10 -0.487 -14.368 -12.616
46 HE21 GLN 10 1HE2 GLN 10 0.575 -16.060 -10.592
47 HE22 GLN 10 2HE2 GLN 10 1.809 -15.174 -9.769
48 H ARG 11 H ARG 11 -3.218 -10.814 -12.688
49 HA ARG 11 HA ARG 11 -5.540 -10.073 -11.093
50 HB2 ARG 11 1HB ARG 11 -2.874 -8.663 -10.882
51 HB3 ARG 11 2HB ARG 11 -4.387 -8.030 -10.247
52 HG2 ARG 11 1HG ARG 11 -3.305 -10.701 -9.414
53 HG3 ARG 11 2HG ARG 11 -2.837 -9.199 -8.613
54 HD2 ARG 11 1HD ARG 11 -5.064 -8.768 -7.924
55 HD3 ARG 11 2HD ARG 11 -5.704 -10.032 -8.974
56 HE ARG 11 HE ARG 11 -5.243 -11.562 -7.341
57 HH11 ARG 11 1HH1 ARG 11 -3.447 -8.650 -6.699
58 HH12 ARG 11 2HH1 ARG 11 -2.879 -9.186 -5.152
59 HH21 ARG 11 1HH2 ARG 11 -4.502 -12.279 -5.306
60 HH22 ARG 11 2HH2 ARG 11 -3.478 -11.251 -4.362
61 HA PRO 12 HA PRO 12 -6.518 -7.815 -14.741
62 HB2 PRO 12 1HB PRO 12 -8.312 -6.063 -13.701
63 HB3 PRO 12 2HB PRO 12 -8.677 -7.773 -13.956
64 HG2 PRO 12 1HG PRO 12 -7.874 -6.362 -11.441
65 HG3 PRO 12 2HG PRO 12 -9.123 -7.598 -11.680
66 HD2 PRO 12 1HD PRO 12 -6.680 -8.172 -10.662
67 HD3 PRO 12 2HD PRO 12 -7.596 -9.325 -11.654
68 H TYR 13 H TYR 13 -4.839 -6.515 -12.130
69 HA TYR 13 HA TYR 13 -4.151 -4.138 -13.708
70 HB2 TYR 13 1HB TYR 13 -4.582 -4.078 -10.717
71 HB3 TYR 13 2HB TYR 13 -4.198 -2.713 -11.759
72 HD1 TYR 13 HD2 TYR 13 -5.907 -1.910 -13.404
73 HD2 TYR 13 HD1 TYR 13 -6.819 -4.807 -10.424
74 HE1 TYR 13 HE2 TYR 13 -8.306 -1.468 -13.717
75 HE2 TYR 13 HE1 TYR 13 -9.221 -4.374 -10.729
76 HH TYR 13 HH TYR 13 -10.756 -3.180 -11.795
77 H GLU 14 H GLU 14 -2.037 -4.007 -14.027
78 HA GLU 14 HA GLU 14 -0.201 -4.958 -11.955
79 HB2 GLU 14 1HB GLU 14 -0.018 -5.770 -14.862
80 HB3 GLU 14 2HB GLU 14 1.172 -6.139 -13.622
81 HG2 GLU 14 1HG GLU 14 -0.770 -7.294 -12.398
82 HG3 GLU 14 2HG GLU 14 -1.594 -7.227 -13.955
83 H CYS 15 H CYS 15 1.741 -3.877 -11.863
84 HA CYS 15 HA CYS 15 1.848 -1.387 -13.375
85 HB2 CYS 15 1HB CYS 15 2.133 -1.193 -10.981
86 HB3 CYS 15 2HB CYS 15 3.435 -2.378 -11.000
87 H ILE 16 H ILE 16 2.727 -1.657 -15.341
88 HA ILE 16 HA ILE 16 4.723 -3.556 -15.975
89 HB ILE 16 HB ILE 16 3.968 -1.044 -17.473
90 HG12 ILE 16 1HG1 ILE 16 3.072 -3.857 -18.073
91 HG13 ILE 16 2HG1 ILE 16 2.165 -2.810 -16.988
92 HG21 ILE 16 1HG2 ILE 16 5.417 -1.598 -19.077
93 HG22 ILE 16 2HG2 ILE 16 6.156 -2.660 -17.879
94 HG23 ILE 16 3HG2 ILE 16 4.967 -3.302 -19.011
95 HD11 ILE 16 3HD1 ILE 16 1.218 -1.754 -18.686
96 HD12 ILE 16 1HD1 ILE 16 2.775 -1.467 -19.463
97 HD13 ILE 16 2HD1 ILE 16 1.917 -2.983 -19.740
98 H GLU 17 H GLU 17 4.846 -0.142 -15.102
99 HA GLU 17 HA GLU 17 7.318 0.682 -15.737
100 HB2 GLU 17 1HB GLU 17 6.146 0.969 -12.965
101 HB3 GLU 17 2HB GLU 17 7.377 1.999 -13.683
102 HG2 GLU 17 1HG GLU 17 4.507 1.731 -14.541
103 HG3 GLU 17 2HG GLU 17 5.268 3.123 -13.772
104 H CYS 18 H CYS 18 6.704 -1.089 -12.698
105 HA CYS 18 HA CYS 18 9.519 -1.942 -12.729
106 HB2 CYS 18 1HB CYS 18 9.263 -2.332 -10.317
107 HB3 CYS 18 2HB CYS 18 8.867 -0.670 -10.741
108 H GLY 19 H GLY 19 6.204 -3.088 -12.269
109 HA2 GLY 19 1HA GLY 19 5.619 -5.217 -13.322
110 HA3 GLY 19 2HA GLY 19 7.187 -5.821 -12.808
111 H LYS 20 H LYS 20 3.976 -4.894 -11.736
112 HA LYS 20 HA LYS 20 4.182 -6.797 -9.550
113 HB2 LYS 20 1HB LYS 20 4.939 -4.541 -8.680
114 HB3 LYS 20 2HB LYS 20 3.305 -3.965 -8.982
115 HG2 LYS 20 1HG LYS 20 2.389 -5.354 -7.336
116 HG3 LYS 20 2HG LYS 20 3.839 -6.357 -7.255
117 HD2 LYS 20 1HD LYS 20 3.839 -3.442 -6.508
118 HD3 LYS 20 2HD LYS 20 3.478 -4.720 -5.346
119 HE2 LYS 20 1HE LYS 20 5.946 -4.957 -6.990
120 HE3 LYS 20 2HE LYS 20 5.930 -3.786 -5.673
121 HZ1 LYS 20 3HZ LYS 20 6.764 -5.811 -4.812
122 HZ2 LYS 20 1HZ LYS 20 5.502 -6.714 -5.486
123 HZ3 LYS 20 2HZ LYS 20 5.192 -5.651 -4.209
124 H ALA 21 H ALA 21 2.005 -6.953 -8.385
125 HA ALA 21 HA ALA 21 -0.207 -6.420 -10.251
126 HB1 ALA 21 3HB ALA 21 -0.665 -8.577 -10.514
127 HB2 ALA 21 1HB ALA 21 0.852 -8.943 -9.691
128 HB3 ALA 21 2HB ALA 21 -0.650 -8.848 -8.771
129 H PHE 22 H PHE 22 -2.161 -5.885 -9.340
130 HA PHE 22 HA PHE 22 -2.301 -5.799 -6.406
131 HB2 PHE 22 1HB PHE 22 -3.076 -3.551 -8.277
132 HB3 PHE 22 2HB PHE 22 -3.341 -3.563 -6.537
133 HD1 PHE 22 HD2 PHE 22 -0.643 -3.789 -9.084
134 HD2 PHE 22 HD1 PHE 22 -1.729 -2.708 -5.113
135 HE1 PHE 22 HE2 PHE 22 1.590 -2.813 -8.743
136 HE2 PHE 22 HE1 PHE 22 0.502 -1.729 -4.766
137 HZ PHE 22 HZ PHE 22 2.165 -1.782 -6.582
138 H LYS 23 H LYS 23 -4.435 -5.781 -5.530
139 HA LYS 23 HA LYS 23 -6.222 -7.524 -6.796
140 HB2 LYS 23 1HB LYS 23 -7.787 -6.949 -4.998
141 HB3 LYS 23 2HB LYS 23 -6.167 -7.223 -4.370
142 HG2 LYS 23 1HG LYS 23 -6.003 -4.599 -4.674
143 HG3 LYS 23 2HG LYS 23 -7.755 -4.723 -4.508
144 HD2 LYS 23 1HD LYS 23 -7.584 -5.691 -2.364
145 HD3 LYS 23 2HD LYS 23 -5.863 -6.025 -2.567
146 HE2 LYS 23 1HE LYS 23 -5.256 -3.845 -2.171
147 HE3 LYS 23 2HE LYS 23 -6.806 -3.203 -2.711
148 HZ1 LYS 23 3HZ LYS 23 -7.643 -3.326 -0.663
149 HZ2 LYS 23 1HZ LYS 23 -6.046 -3.500 -0.132
150 HZ3 LYS 23 2HZ LYS 23 -7.009 -4.868 -0.378
151 H THR 24 H THR 24 -6.258 -3.993 -6.501
152 HA THR 24 HA THR 24 -8.041 -3.870 -8.815
153 HB THR 24 HB THR 24 -9.566 -3.727 -6.924
154 HG1 THR 24 HG1 THR 24 -10.143 -1.334 -7.353
155 HG21 THR 24 3HG2 THR 24 -9.398 -2.063 -5.219
156 HG22 THR 24 1HG2 THR 24 -8.037 -1.287 -6.027
157 HG23 THR 24 2HG2 THR 24 -7.839 -2.883 -5.303
158 H LYS 25 H LYS 25 -8.436 -1.292 -9.165
159 HA LYS 25 HA LYS 25 -5.831 -0.289 -9.819
160 HB2 LYS 25 1HB LYS 25 -8.160 -0.005 -11.043
161 HB3 LYS 25 2HB LYS 25 -8.277 1.415 -10.012
162 HG2 LYS 25 1HG LYS 25 -5.874 1.899 -10.949
163 HG3 LYS 25 2HG LYS 25 -6.415 0.848 -12.260
164 HD2 LYS 25 1HD LYS 25 -8.387 2.287 -12.573
165 HD3 LYS 25 2HD LYS 25 -7.800 3.349 -11.291
166 HE2 LYS 25 1HE LYS 25 -7.192 4.319 -13.388
167 HE3 LYS 25 2HE LYS 25 -5.725 3.697 -12.633
168 HZ1 LYS 25 3HZ LYS 25 -5.497 2.908 -14.748
169 HZ2 LYS 25 1HZ LYS 25 -7.159 2.716 -14.996
170 HZ3 LYS 25 2HZ LYS 25 -6.311 1.601 -14.049
171 H SER 26 H SER 26 -8.297 0.450 -7.423
172 HA SER 26 HA SER 26 -7.372 2.888 -6.481
173 HB2 SER 26 1HB SER 26 -9.491 1.677 -5.796
174 HB3 SER 26 2HB SER 26 -8.492 0.705 -4.716
175 HG SER 26 HG SER 26 -8.971 2.311 -3.407
176 H SER 27 H SER 27 -6.278 -0.376 -5.724
177 HA SER 27 HA SER 27 -4.434 0.492 -3.698
178 HB2 SER 27 1HB SER 27 -5.401 -1.743 -3.572
179 HB3 SER 27 2HB SER 27 -4.702 -2.160 -5.137
180 HG SER 27 HG SER 27 -3.598 -2.521 -2.823
181 H LEU 28 H LEU 28 -4.199 -0.534 -7.079
182 HA LEU 28 HA LEU 28 -1.416 -0.514 -7.315
183 HB2 LEU 28 1HB LEU 28 -2.661 -1.500 -9.052
184 HB3 LEU 28 2HB LEU 28 -3.628 -0.046 -9.290
185 HG LEU 28 HG LEU 28 -1.548 1.076 -10.145
186 HD11 LEU 28 1HD1 LEU 28 0.200 -0.228 -9.272
187 HD12 LEU 28 2HD1 LEU 28 0.190 -0.566 -11.002
188 HD13 LEU 28 3HD1 LEU 28 -0.506 -1.729 -9.874
189 HD21 LEU 28 3HD2 LEU 28 -2.842 -1.253 -11.511
190 HD22 LEU 28 1HD2 LEU 28 -1.571 -0.330 -12.313
191 HD23 LEU 28 2HD2 LEU 28 -3.056 0.474 -11.802
192 H ILE 29 H ILE 29 -3.768 2.076 -7.952
193 HA ILE 29 HA ILE 29 -2.152 4.061 -8.894
194 HB ILE 29 HB ILE 29 -4.442 4.294 -6.946
195 HG12 ILE 29 1HG1 ILE 29 -4.373 4.993 -9.879
196 HG13 ILE 29 2HG1 ILE 29 -4.777 3.377 -9.310
197 HG21 ILE 29 1HG2 ILE 29 -2.568 6.309 -7.849
198 HG22 ILE 29 2HG2 ILE 29 -4.228 6.704 -8.292
199 HG23 ILE 29 3HG2 ILE 29 -3.814 6.404 -6.605
200 HD11 ILE 29 3HD1 ILE 29 -6.853 3.981 -8.828
201 HD12 ILE 29 1HD1 ILE 29 -6.312 5.406 -7.941
202 HD13 ILE 29 2HD1 ILE 29 -6.521 5.482 -9.691
203 H CYS 30 H CYS 30 -2.841 3.485 -5.440
204 HA CYS 30 HA CYS 30 -1.265 5.396 -4.295
205 HB2 CYS 30 1HB CYS 30 -1.834 2.569 -3.421
206 HB3 CYS 30 2HB CYS 30 -0.910 3.683 -2.421
207 HG CYS 30 HG CYS 30 -3.022 5.563 -2.265
208 H HIS 31 H HIS 31 -0.238 2.584 -6.020
209 HA HIS 31 HA HIS 31 2.513 2.838 -5.077
210 HB2 HIS 31 1HB HIS 31 1.950 0.581 -5.219
211 HB3 HIS 31 2HB HIS 31 1.027 0.802 -6.702
212 HD1 HIS 31 HD1 HIS 31 4.682 1.212 -5.689
213 HD2 HIS 31 HD2 HIS 31 2.348 -0.214 -8.816
214 HE1 HIS 31 HE1 HIS 31 6.307 0.316 -7.385
215 H ARG 32 H ARG 32 0.815 2.738 -8.214
216 HA ARG 32 HA ARG 32 2.857 3.388 -9.904
217 HB2 ARG 32 1HB ARG 32 -0.047 4.176 -9.953
218 HB3 ARG 32 2HB ARG 32 1.050 4.634 -11.247
219 HG2 ARG 32 1HG ARG 32 1.573 2.236 -11.587
220 HG3 ARG 32 2HG ARG 32 0.349 1.840 -10.379
221 HD2 ARG 32 1HD ARG 32 -0.540 1.642 -12.647
222 HD3 ARG 32 2HD ARG 32 -1.361 2.914 -11.743
223 HE ARG 32 HE ARG 32 0.343 3.237 -14.060
224 HH11 ARG 32 1HH1 ARG 32 -1.208 4.764 -11.342
225 HH12 ARG 32 2HH1 ARG 32 -1.153 6.351 -12.036
226 HH21 ARG 32 1HH2 ARG 32 0.421 5.321 -14.984
227 HH22 ARG 32 2HH2 ARG 32 -0.227 6.667 -14.108
228 H ARG 33 H ARG 33 0.867 5.656 -8.033
229 HA ARG 33 HA ARG 33 1.911 8.042 -8.990
230 HB2 ARG 33 1HB ARG 33 0.846 9.072 -7.224
231 HB3 ARG 33 2HB ARG 33 -0.015 7.540 -7.281
232 HG2 ARG 33 1HG ARG 33 1.294 6.682 -5.451
233 HG3 ARG 33 2HG ARG 33 2.293 8.137 -5.444
234 HD2 ARG 33 1HD ARG 33 0.732 8.391 -3.684
235 HD3 ARG 33 2HD ARG 33 0.183 9.439 -4.991
236 HE ARG 33 HE ARG 33 -1.135 7.056 -5.357
237 HH11 ARG 33 1HH1 ARG 33 -0.885 9.429 -2.822
238 HH12 ARG 33 2HH1 ARG 33 -2.479 9.135 -2.211
239 HH21 ARG 33 1HH2 ARG 33 -3.236 6.660 -4.562
240 HH22 ARG 33 2HH2 ARG 33 -3.815 7.559 -3.201
241 H SER 34 H SER 34 3.108 5.935 -6.415
242 HA SER 34 HA SER 34 5.089 7.504 -5.328
243 HB2 SER 34 1HB SER 34 5.966 5.564 -4.406
244 HB3 SER 34 2HB SER 34 4.330 5.040 -4.805
245 HG SER 34 HG SER 34 5.163 3.641 -6.118
246 H HIS 35 H HIS 35 5.264 5.488 -8.238
247 HA HIS 35 HA HIS 35 7.944 5.744 -8.847
248 HB2 HIS 35 1HB HIS 35 5.488 5.436 -10.541
249 HB3 HIS 35 2HB HIS 35 7.059 5.658 -11.307
250 HD1 HIS 35 HD1 HIS 35 8.925 3.815 -10.524
251 HD2 HIS 35 HD2 HIS 35 4.929 2.862 -9.898
252 HE1 HIS 35 HE1 HIS 35 8.871 1.321 -10.199
253 H THR 36 H THR 36 5.292 7.967 -9.592
254 HA THR 36 HA THR 36 7.099 9.844 -10.871
255 HB THR 36 HB THR 36 5.079 11.251 -11.170
256 HG1 THR 36 HG1 THR 36 3.154 10.627 -10.350
257 HG21 THR 36 3HG2 THR 36 3.770 9.201 -12.383
258 HG22 THR 36 1HG2 THR 36 5.377 8.504 -12.182
259 HG23 THR 36 2HG2 THR 36 5.177 10.021 -13.059
260 H GLY 37 H GLY 37 7.749 9.339 -8.182
261 HA2 GLY 37 1HA GLY 37 6.953 11.861 -6.867
262 HA3 GLY 37 2HA GLY 37 7.423 10.403 -6.006
263 H GLU 38 H GLU 38 9.393 10.447 -5.174
264 HA GLU 38 HA GLU 38 11.311 12.408 -6.162
265 HB2 GLU 38 1HB GLU 38 10.681 11.928 -3.664
266 HB3 GLU 38 2HB GLU 38 11.825 10.603 -3.828
267 HG2 GLU 38 1HG GLU 38 12.847 12.611 -2.873
268 HG3 GLU 38 2HG GLU 38 13.591 12.141 -4.400
269 H LYS 39 H LYS 39 12.316 11.646 -7.942
270 HA LYS 39 HA LYS 39 13.550 8.976 -7.776
271 HB2 LYS 39 1HB LYS 39 11.854 9.431 -9.617
272 HB3 LYS 39 2HB LYS 39 13.036 10.536 -10.306
273 HG2 LYS 39 1HG LYS 39 13.287 8.505 -11.462
274 HG3 LYS 39 2HG LYS 39 14.648 8.595 -10.341
275 HD2 LYS 39 1HD LYS 39 13.212 7.222 -8.745
276 HD3 LYS 39 2HD LYS 39 12.155 6.924 -10.127
277 HE2 LYS 39 1HE LYS 39 15.108 6.372 -10.217
278 HE3 LYS 39 2HE LYS 39 13.950 5.181 -9.627
279 HZ1 LYS 39 3HZ LYS 39 14.667 5.663 -12.253
280 HZ2 LYS 39 1HZ LYS 39 13.086 6.245 -12.101
281 HZ3 LYS 39 2HZ LYS 39 13.438 4.641 -11.699
282 HA PRO 40 HA PRO 40 17.478 10.990 -7.652
283 HB2 PRO 40 1HB PRO 40 19.016 8.849 -8.300
284 HB3 PRO 40 2HB PRO 40 18.265 9.047 -6.712
285 HG2 PRO 40 1HG PRO 40 17.361 7.400 -9.043
286 HG3 PRO 40 2HG PRO 40 17.389 6.980 -7.321
287 HD2 PRO 40 1HD PRO 40 15.131 7.765 -8.593
288 HD3 PRO 40 2HD PRO 40 15.437 8.125 -6.881
289 H SER 41 H SER 41 19.600 10.794 -9.112
290 HA SER 41 HA SER 41 18.757 11.644 -11.750
291 HB2 SER 41 1HB SER 41 21.344 11.744 -10.224
292 HB3 SER 41 2HB SER 41 21.325 12.035 -11.963
293 HG SER 41 HG SER 41 20.123 13.521 -9.897
294 H GLY 42 H GLY 42 18.094 9.715 -12.731
295 HA2 GLY 42 1HA GLY 42 18.336 7.593 -13.654
296 HA3 GLY 42 2HA GLY 42 19.686 8.404 -14.432
297 HA PRO 43 HA PRO 43 21.337 5.882 -10.609
298 HB2 PRO 43 1HB PRO 43 19.739 3.816 -9.868
299 HB3 PRO 43 2HB PRO 43 19.627 5.425 -9.145
300 HG2 PRO 43 1HG PRO 43 17.943 4.192 -11.291
301 HG3 PRO 43 2HG PRO 43 17.441 5.165 -9.896
302 HD2 PRO 43 1HD PRO 43 17.659 6.197 -12.390
303 HD3 PRO 43 2HD PRO 43 17.983 7.153 -10.930
304 H SER 44 H SER 44 22.511 5.425 -12.656
305 HA SER 44 HA SER 44 22.865 2.633 -13.005
306 HB2 SER 44 1HB SER 44 20.772 3.075 -14.376
307 HB3 SER 44 2HB SER 44 21.782 4.046 -15.447
308 HG SER 44 HG SER 44 22.554 2.282 -16.284
309 H SER 45 H SER 45 24.861 2.211 -13.787
310 HA SER 45 HA SER 45 26.553 4.494 -14.386
311 HB2 SER 45 1HB SER 45 27.129 1.576 -13.868
312 HB3 SER 45 2HB SER 45 28.380 2.718 -14.355
313 HG SER 45 HG SER 45 28.367 3.552 -12.419
314 H GLY 46 H GLY 46 26.023 5.132 -16.456
315 HA2 GLY 46 1HA GLY 46 26.082 5.123 -18.750
316 HA3 GLY 46 2HA GLY 46 27.347 3.914 -18.591
Start of MODEL 13
1 H1 GLY 1 H GLY 1 17.002 -21.456 -26.227
2 HA2 GLY 1 1HA GLY 1 14.893 -22.076 -24.961
3 HA3 GLY 1 2HA GLY 1 16.386 -22.413 -24.098
4 H SER 2 H SER 2 13.675 -20.215 -24.400
5 HA SER 2 HA SER 2 14.302 -19.188 -21.711
6 HB2 SER 2 1HB SER 2 13.218 -17.050 -22.391
7 HB3 SER 2 2HB SER 2 14.678 -17.404 -23.314
8 HG SER 2 HG SER 2 13.212 -16.858 -24.826
9 H SER 3 H SER 3 12.963 -20.586 -20.617
10 HA SER 3 HA SER 3 10.089 -20.152 -21.041
11 HB2 SER 3 1HB SER 3 11.346 -22.846 -20.466
12 HB3 SER 3 2HB SER 3 9.624 -22.518 -20.658
13 HG SER 3 HG SER 3 9.873 -22.587 -22.739
14 H GLY 4 H GLY 4 8.979 -19.722 -19.229
15 HA2 GLY 4 1HA GLY 4 9.525 -20.769 -16.678
16 HA3 GLY 4 2HA GLY 4 10.295 -19.194 -16.806
17 H SER 5 H SER 5 9.110 -17.726 -15.793
18 HA SER 5 HA SER 5 7.248 -16.790 -14.790
19 HB2 SER 5 1HB SER 5 5.975 -15.569 -16.379
20 HB3 SER 5 2HB SER 5 7.566 -15.775 -17.113
21 HG SER 5 HG SER 5 6.373 -17.825 -17.964
22 H SER 6 H SER 6 7.049 -19.513 -14.465
23 HA SER 6 HA SER 6 4.529 -20.505 -15.403
24 HB2 SER 6 1HB SER 6 6.464 -21.512 -13.310
25 HB3 SER 6 2HB SER 6 4.983 -22.362 -13.750
26 HG SER 6 HG SER 6 6.008 -21.996 -16.017
27 H GLY 7 H GLY 7 2.956 -19.035 -14.743
28 HA2 GLY 7 1HA GLY 7 1.156 -18.777 -13.223
29 HA3 GLY 7 2HA GLY 7 2.219 -19.281 -11.918
30 H THR 8 H THR 8 2.535 -16.746 -14.394
31 HA THR 8 HA THR 8 2.434 -14.708 -12.302
32 HB THR 8 HB THR 8 4.734 -14.884 -14.257
33 HG1 THR 8 HG1 THR 8 5.962 -15.374 -12.396
34 HG21 THR 8 3HG2 THR 8 4.053 -12.931 -12.064
35 HG22 THR 8 1HG2 THR 8 4.263 -12.594 -13.782
36 HG23 THR 8 2HG2 THR 8 5.653 -13.049 -12.796
37 H GLY 9 H GLY 9 0.921 -13.337 -12.973
38 HA2 GLY 9 1HA GLY 9 0.522 -11.471 -14.529
39 HA3 GLY 9 2HA GLY 9 0.906 -12.586 -15.831
40 H GLN 10 H GLN 10 -1.297 -12.519 -13.024
41 HA GLN 10 HA GLN 10 -3.429 -13.464 -14.824
42 HB2 GLN 10 1HB GLN 10 -2.855 -15.141 -13.152
43 HB3 GLN 10 2HB GLN 10 -3.077 -13.964 -11.864
44 HG2 GLN 10 1HG GLN 10 -5.487 -13.791 -12.947
45 HG3 GLN 10 2HG GLN 10 -5.090 -15.427 -13.470
46 HE21 GLN 10 1HE2 GLN 10 -7.175 -15.203 -11.860
47 HE22 GLN 10 2HE2 GLN 10 -6.806 -15.738 -10.260
48 H ARG 11 H ARG 11 -2.897 -11.618 -11.822
49 HA ARG 11 HA ARG 11 -5.339 -10.437 -11.513
50 HB2 ARG 11 1HB ARG 11 -2.602 -9.234 -11.081
51 HB3 ARG 11 2HB ARG 11 -4.093 -8.483 -10.529
52 HG2 ARG 11 1HG ARG 11 -3.518 -11.293 -9.732
53 HG3 ARG 11 2HG ARG 11 -2.661 -9.976 -8.928
54 HD2 ARG 11 1HD ARG 11 -5.013 -8.944 -8.633
55 HD3 ARG 11 2HD ARG 11 -5.596 -10.572 -8.976
56 HE ARG 11 HE ARG 11 -4.350 -9.656 -6.563
57 HH11 ARG 11 1HH1 ARG 11 -4.932 -12.427 -8.588
58 HH12 ARG 11 2HH1 ARG 11 -4.760 -13.570 -7.297
59 HH21 ARG 11 1HH2 ARG 11 -4.121 -11.151 -4.855
60 HH22 ARG 11 2HH2 ARG 11 -4.299 -12.843 -5.174
61 HA PRO 12 HA PRO 12 -6.052 -7.902 -15.040
62 HB2 PRO 12 1HB PRO 12 -7.811 -6.139 -13.958
63 HB3 PRO 12 2HB PRO 12 -8.240 -7.810 -14.344
64 HG2 PRO 12 1HG PRO 12 -7.489 -6.608 -11.708
65 HG3 PRO 12 2HG PRO 12 -8.779 -7.766 -12.083
66 HD2 PRO 12 1HD PRO 12 -6.413 -8.520 -11.004
67 HD3 PRO 12 2HD PRO 12 -7.333 -9.560 -12.111
68 H TYR 13 H TYR 13 -5.027 -6.487 -12.000
69 HA TYR 13 HA TYR 13 -4.082 -4.095 -13.427
70 HB2 TYR 13 1HB TYR 13 -4.227 -4.409 -10.433
71 HB3 TYR 13 2HB TYR 13 -4.125 -2.922 -11.370
72 HD1 TYR 13 HD2 TYR 13 -6.118 -2.184 -12.706
73 HD2 TYR 13 HD1 TYR 13 -6.318 -5.388 -9.914
74 HE1 TYR 13 HE2 TYR 13 -8.568 -1.982 -12.659
75 HE2 TYR 13 HE1 TYR 13 -8.770 -5.195 -9.860
76 HH TYR 13 HH TYR 13 -10.463 -3.101 -10.384
77 H GLU 14 H GLU 14 -2.024 -4.158 -14.011
78 HA GLU 14 HA GLU 14 -0.042 -5.189 -12.117
79 HB2 GLU 14 1HB GLU 14 -0.234 -5.980 -15.027
80 HB3 GLU 14 2HB GLU 14 1.165 -6.296 -14.010
81 HG2 GLU 14 1HG GLU 14 -0.252 -7.642 -12.518
82 HG3 GLU 14 2HG GLU 14 -1.618 -7.366 -13.597
83 H CYS 15 H CYS 15 1.513 -3.748 -11.812
84 HA CYS 15 HA CYS 15 1.667 -1.351 -13.323
85 HB2 CYS 15 1HB CYS 15 2.261 -1.355 -10.974
86 HB3 CYS 15 2HB CYS 15 3.545 -2.525 -11.264
87 H ILE 16 H ILE 16 3.068 -0.702 -14.889
88 HA ILE 16 HA ILE 16 4.619 -2.811 -16.186
89 HB ILE 16 HB ILE 16 3.122 -1.576 -17.632
90 HG12 ILE 16 1HG1 ILE 16 5.938 -0.653 -18.220
91 HG13 ILE 16 2HG1 ILE 16 5.404 -2.315 -18.444
92 HG21 ILE 16 1HG2 ILE 16 4.629 0.865 -16.707
93 HG22 ILE 16 2HG2 ILE 16 3.492 0.841 -18.054
94 HG23 ILE 16 3HG2 ILE 16 2.930 0.490 -16.420
95 HD11 ILE 16 3HD1 ILE 16 4.650 -1.799 -20.452
96 HD12 ILE 16 1HD1 ILE 16 3.551 -0.613 -19.749
97 HD13 ILE 16 2HD1 ILE 16 5.181 -0.133 -20.224
98 H GLU 17 H GLU 17 5.029 0.133 -14.402
99 HA GLU 17 HA GLU 17 7.582 0.909 -15.189
100 HB2 GLU 17 1HB GLU 17 6.307 1.080 -12.453
101 HB3 GLU 17 2HB GLU 17 7.763 1.940 -12.936
102 HG2 GLU 17 1HG GLU 17 5.306 2.286 -14.570
103 HG3 GLU 17 2HG GLU 17 5.401 3.087 -13.002
104 H CYS 18 H CYS 18 6.769 -1.039 -12.310
105 HA CYS 18 HA CYS 18 9.506 -2.085 -12.312
106 HB2 CYS 18 1HB CYS 18 8.853 -2.975 -10.040
107 HB3 CYS 18 2HB CYS 18 8.864 -1.220 -10.183
108 H GLY 19 H GLY 19 6.148 -3.249 -12.054
109 HA2 GLY 19 1HA GLY 19 5.549 -5.111 -13.568
110 HA3 GLY 19 2HA GLY 19 7.091 -5.834 -13.135
111 H LYS 20 H LYS 20 4.328 -4.456 -11.346
112 HA LYS 20 HA LYS 20 4.320 -6.904 -9.704
113 HB2 LYS 20 1HB LYS 20 3.524 -4.108 -8.868
114 HB3 LYS 20 2HB LYS 20 3.476 -5.539 -7.847
115 HG2 LYS 20 1HG LYS 20 5.854 -5.723 -7.867
116 HG3 LYS 20 2HG LYS 20 5.994 -4.462 -9.094
117 HD2 LYS 20 1HD LYS 20 6.509 -3.355 -7.108
118 HD3 LYS 20 2HD LYS 20 4.811 -2.954 -7.376
119 HE2 LYS 20 1HE LYS 20 5.486 -5.360 -5.752
120 HE3 LYS 20 2HE LYS 20 5.667 -3.765 -5.023
121 HZ1 LYS 20 3HZ LYS 20 3.217 -5.084 -5.992
122 HZ2 LYS 20 1HZ LYS 20 3.290 -3.397 -5.884
123 HZ3 LYS 20 2HZ LYS 20 3.509 -4.344 -4.499
124 H ALA 21 H ALA 21 2.047 -6.916 -8.448
125 HA ALA 21 HA ALA 21 -0.103 -6.328 -10.355
126 HB1 ALA 21 3HB ALA 21 0.448 -9.017 -9.117
127 HB2 ALA 21 1HB ALA 21 -1.081 -8.586 -9.884
128 HB3 ALA 21 2HB ALA 21 0.407 -8.605 -10.831
129 H PHE 22 H PHE 22 -2.097 -5.910 -9.440
130 HA PHE 22 HA PHE 22 -2.231 -5.950 -6.501
131 HB2 PHE 22 1HB PHE 22 -3.107 -3.708 -8.333
132 HB3 PHE 22 2HB PHE 22 -3.464 -3.784 -6.610
133 HD1 PHE 22 HD2 PHE 22 -0.751 -3.491 -9.093
134 HD2 PHE 22 HD1 PHE 22 -1.862 -3.151 -4.998
135 HE1 PHE 22 HE2 PHE 22 1.393 -2.388 -8.606
136 HE2 PHE 22 HE1 PHE 22 0.281 -2.046 -4.505
137 HZ PHE 22 HZ PHE 22 1.912 -1.664 -6.310
138 H LYS 23 H LYS 23 -4.527 -5.664 -5.712
139 HA LYS 23 HA LYS 23 -6.215 -7.517 -7.170
140 HB2 LYS 23 1HB LYS 23 -6.597 -6.171 -4.490
141 HB3 LYS 23 2HB LYS 23 -7.661 -7.400 -5.161
142 HG2 LYS 23 1HG LYS 23 -6.326 -8.608 -3.718
143 HG3 LYS 23 2HG LYS 23 -5.531 -8.854 -5.275
144 HD2 LYS 23 1HD LYS 23 -3.856 -7.233 -4.757
145 HD3 LYS 23 2HD LYS 23 -4.726 -6.713 -3.312
146 HE2 LYS 23 1HE LYS 23 -3.598 -9.479 -3.721
147 HE3 LYS 23 2HE LYS 23 -2.770 -8.188 -2.853
148 HZ1 LYS 23 3HZ LYS 23 -4.018 -8.515 -1.053
149 HZ2 LYS 23 1HZ LYS 23 -4.469 -9.989 -1.752
150 HZ3 LYS 23 2HZ LYS 23 -5.456 -8.627 -1.938
151 H THR 24 H THR 24 -6.329 -4.157 -6.060
152 HA THR 24 HA THR 24 -8.438 -3.654 -8.043
153 HB THR 24 HB THR 24 -9.584 -2.127 -6.499
154 HG1 THR 24 HG1 THR 24 -8.873 -2.577 -4.161
155 HG21 THR 24 3HG2 THR 24 -10.648 -3.781 -5.117
156 HG22 THR 24 1HG2 THR 24 -9.251 -4.850 -5.240
157 HG23 THR 24 2HG2 THR 24 -10.244 -4.530 -6.662
158 H LYS 25 H LYS 25 -8.629 -1.371 -8.647
159 HA LYS 25 HA LYS 25 -6.158 -0.233 -9.302
160 HB2 LYS 25 1HB LYS 25 -8.998 0.639 -9.447
161 HB3 LYS 25 2HB LYS 25 -7.765 1.883 -9.601
162 HG2 LYS 25 1HG LYS 25 -6.732 0.402 -11.398
163 HG3 LYS 25 2HG LYS 25 -8.255 -0.489 -11.368
164 HD2 LYS 25 1HD LYS 25 -9.351 1.832 -11.669
165 HD3 LYS 25 2HD LYS 25 -7.742 2.352 -12.177
166 HE2 LYS 25 1HE LYS 25 -9.150 -0.017 -13.385
167 HE3 LYS 25 2HE LYS 25 -9.330 1.621 -14.014
168 HZ1 LYS 25 3HZ LYS 25 -7.306 -0.202 -14.569
169 HZ2 LYS 25 1HZ LYS 25 -6.595 1.045 -13.675
170 HZ3 LYS 25 2HZ LYS 25 -7.431 1.398 -15.102
171 H SER 26 H SER 26 -8.526 0.730 -6.827
172 HA SER 26 HA SER 26 -7.554 2.971 -5.765
173 HB2 SER 26 1HB SER 26 -9.404 1.806 -4.720
174 HB3 SER 26 2HB SER 26 -8.337 0.505 -4.194
175 HG SER 26 HG SER 26 -8.561 3.131 -3.227
176 H SER 27 H SER 27 -6.105 -0.220 -5.243
177 HA SER 27 HA SER 27 -3.987 0.803 -3.601
178 HB2 SER 27 1HB SER 27 -4.744 -1.849 -4.723
179 HB3 SER 27 2HB SER 27 -3.056 -1.612 -4.272
180 HG SER 27 HG SER 27 -3.691 -1.958 -2.310
181 H LEU 28 H LEU 28 -4.058 -0.633 -6.866
182 HA LEU 28 HA LEU 28 -1.415 -0.183 -7.553
183 HB2 LEU 28 1HB LEU 28 -2.798 -1.552 -8.929
184 HB3 LEU 28 2HB LEU 28 -3.901 -0.215 -9.250
185 HG LEU 28 HG LEU 28 -1.759 0.857 -10.344
186 HD11 LEU 28 1HD1 LEU 28 -0.405 -1.171 -9.550
187 HD12 LEU 28 2HD1 LEU 28 -0.184 -0.625 -11.212
188 HD13 LEU 28 3HD1 LEU 28 -1.185 -2.037 -10.874
189 HD21 LEU 28 3HD2 LEU 28 -4.016 -0.032 -11.328
190 HD22 LEU 28 1HD2 LEU 28 -3.002 -1.347 -11.923
191 HD23 LEU 28 2HD2 LEU 28 -2.652 0.317 -12.392
192 H ILE 29 H ILE 29 -4.176 1.860 -8.530
193 HA ILE 29 HA ILE 29 -3.004 3.929 -9.750
194 HB ILE 29 HB ILE 29 -5.069 4.237 -7.567
195 HG12 ILE 29 1HG1 ILE 29 -5.404 3.909 -10.556
196 HG13 ILE 29 2HG1 ILE 29 -5.702 2.652 -9.360
197 HG21 ILE 29 1HG2 ILE 29 -3.760 6.297 -8.469
198 HG22 ILE 29 2HG2 ILE 29 -4.777 6.086 -9.893
199 HG23 ILE 29 3HG2 ILE 29 -5.515 6.373 -8.317
200 HD11 ILE 29 3HD1 ILE 29 -7.559 3.808 -8.476
201 HD12 ILE 29 1HD1 ILE 29 -7.155 5.278 -9.363
202 HD13 ILE 29 2HD1 ILE 29 -7.726 3.853 -10.231
203 H CYS 30 H CYS 30 -2.958 3.402 -6.254
204 HA CYS 30 HA CYS 30 -1.595 5.820 -5.633
205 HB2 CYS 30 1HB CYS 30 -2.943 4.564 -3.982
206 HB3 CYS 30 2HB CYS 30 -1.764 3.259 -4.030
207 HG CYS 30 HG CYS 30 -1.707 6.101 -2.313
208 H HIS 31 H HIS 31 -0.504 2.435 -5.841
209 HA HIS 31 HA HIS 31 2.187 2.851 -5.299
210 HB2 HIS 31 1HB HIS 31 1.602 0.611 -5.341
211 HB3 HIS 31 2HB HIS 31 0.675 0.773 -6.830
212 HD1 HIS 31 HD1 HIS 31 3.971 -0.180 -5.548
213 HD2 HIS 31 HD2 HIS 31 2.329 0.915 -9.205
214 HE1 HIS 31 HE1 HIS 31 5.652 -0.888 -7.279
215 H ARG 32 H ARG 32 0.446 3.073 -8.367
216 HA ARG 32 HA ARG 32 2.585 3.357 -10.107
217 HB2 ARG 32 1HB ARG 32 -0.131 4.682 -10.215
218 HB3 ARG 32 2HB ARG 32 1.006 4.621 -11.556
219 HG2 ARG 32 1HG ARG 32 0.866 2.188 -11.579
220 HG3 ARG 32 2HG ARG 32 -0.256 2.237 -10.217
221 HD2 ARG 32 1HD ARG 32 -1.625 2.005 -12.103
222 HD3 ARG 32 2HD ARG 32 -1.714 3.718 -11.697
223 HE ARG 32 HE ARG 32 0.321 3.102 -13.627
224 HH11 ARG 32 1HH1 ARG 32 -3.052 3.828 -13.165
225 HH12 ARG 32 2HH1 ARG 32 -3.276 4.436 -14.771
226 HH21 ARG 32 1HH2 ARG 32 0.039 3.900 -15.745
227 HH22 ARG 32 2HH2 ARG 32 -1.517 4.476 -16.239
228 H ARG 33 H ARG 33 1.599 5.430 -7.607
229 HA ARG 33 HA ARG 33 2.763 7.819 -8.785
230 HB2 ARG 33 1HB ARG 33 1.898 7.630 -5.924
231 HB3 ARG 33 2HB ARG 33 1.841 9.008 -7.015
232 HG2 ARG 33 1HG ARG 33 0.141 6.618 -7.562
233 HG3 ARG 33 2HG ARG 33 -0.349 7.791 -6.338
234 HD2 ARG 33 1HD ARG 33 0.449 8.677 -9.086
235 HD3 ARG 33 2HD ARG 33 -1.182 8.089 -8.766
236 HE ARG 33 HE ARG 33 -0.852 9.946 -6.850
237 HH11 ARG 33 1HH1 ARG 33 -0.323 10.001 -10.291
238 HH12 ARG 33 2HH1 ARG 33 -0.671 11.691 -10.449
239 HH21 ARG 33 1HH2 ARG 33 -1.313 12.172 -7.046
240 HH22 ARG 33 2HH2 ARG 33 -1.233 12.924 -8.603
241 H SER 34 H SER 34 3.395 5.605 -6.085
242 HA SER 34 HA SER 34 5.485 6.701 -4.799
243 HB2 SER 34 1HB SER 34 5.165 3.838 -5.707
244 HB3 SER 34 2HB SER 34 6.453 4.352 -4.618
245 HG SER 34 HG SER 34 3.768 4.005 -4.136
246 H HIS 35 H HIS 35 5.613 5.247 -8.007
247 HA HIS 35 HA HIS 35 8.414 5.346 -8.334
248 HB2 HIS 35 1HB HIS 35 6.162 5.333 -10.347
249 HB3 HIS 35 2HB HIS 35 7.862 5.231 -10.795
250 HD1 HIS 35 HD1 HIS 35 9.046 3.165 -9.111
251 HD2 HIS 35 HD2 HIS 35 5.116 2.855 -10.422
252 HE1 HIS 35 HE1 HIS 35 8.482 0.719 -8.970
253 H THR 36 H THR 36 6.103 7.352 -10.146
254 HA THR 36 HA THR 36 7.957 9.336 -10.813
255 HB THR 36 HB THR 36 5.683 8.936 -11.879
256 HG1 THR 36 HG1 THR 36 5.418 11.403 -12.035
257 HG21 THR 36 3HG2 THR 36 4.732 9.452 -9.352
258 HG22 THR 36 1HG2 THR 36 3.771 9.465 -10.830
259 HG23 THR 36 2HG2 THR 36 4.434 10.971 -10.196
260 H GLY 37 H GLY 37 8.393 11.377 -9.983
261 HA2 GLY 37 1HA GLY 37 7.086 12.339 -7.606
262 HA3 GLY 37 2HA GLY 37 8.703 11.724 -7.300
263 H GLU 38 H GLU 38 9.962 13.444 -6.983
264 HA GLU 38 HA GLU 38 9.535 15.985 -8.129
265 HB2 GLU 38 1HB GLU 38 10.799 15.583 -6.030
266 HB3 GLU 38 2HB GLU 38 12.097 14.869 -6.977
267 HG2 GLU 38 1HG GLU 38 12.703 17.108 -6.442
268 HG3 GLU 38 2HG GLU 38 12.345 17.032 -8.166
269 H LYS 39 H LYS 39 10.464 17.022 -9.852
270 HA LYS 39 HA LYS 39 11.113 15.549 -12.124
271 HB2 LYS 39 1HB LYS 39 11.324 18.410 -11.336
272 HB3 LYS 39 2HB LYS 39 12.224 17.896 -12.757
273 HG2 LYS 39 1HG LYS 39 10.205 18.627 -13.627
274 HG3 LYS 39 2HG LYS 39 10.002 16.876 -13.544
275 HD2 LYS 39 1HD LYS 39 8.601 17.012 -11.674
276 HD3 LYS 39 2HD LYS 39 9.116 18.658 -11.297
277 HE2 LYS 39 1HE LYS 39 7.067 19.069 -12.235
278 HE3 LYS 39 2HE LYS 39 8.095 19.172 -13.663
279 HZ1 LYS 39 3HZ LYS 39 7.450 16.530 -13.497
280 HZ2 LYS 39 1HZ LYS 39 6.744 17.660 -14.539
281 HZ3 LYS 39 2HZ LYS 39 6.014 17.307 -13.055
282 HA PRO 40 HA PRO 40 15.376 14.541 -11.875
283 HB2 PRO 40 1HB PRO 40 16.250 15.027 -14.399
284 HB3 PRO 40 2HB PRO 40 15.201 13.664 -13.991
285 HG2 PRO 40 1HG PRO 40 14.485 16.320 -15.174
286 HG3 PRO 40 2HG PRO 40 13.903 14.704 -15.617
287 HD2 PRO 40 1HD PRO 40 12.461 16.400 -14.075
288 HD3 PRO 40 2HD PRO 40 12.387 14.637 -13.881
289 H SER 41 H SER 41 14.396 17.726 -12.471
290 HA SER 41 HA SER 41 16.980 18.912 -12.811
291 HB2 SER 41 1HB SER 41 15.157 20.157 -13.680
292 HB3 SER 41 2HB SER 41 14.251 20.031 -12.172
293 HG SER 41 HG SER 41 15.424 22.085 -12.667
294 H GLY 42 H GLY 42 18.355 19.724 -11.317
295 HA2 GLY 42 1HA GLY 42 17.842 19.014 -8.539
296 HA3 GLY 42 2HA GLY 42 19.373 19.554 -9.212
297 HA PRO 43 HA PRO 43 17.232 22.998 -6.812
298 HB2 PRO 43 1HB PRO 43 19.132 23.268 -4.891
299 HB3 PRO 43 2HB PRO 43 17.758 22.167 -4.735
300 HG2 PRO 43 1HG PRO 43 20.579 21.574 -5.542
301 HG3 PRO 43 2HG PRO 43 19.513 20.668 -4.452
302 HD2 PRO 43 1HD PRO 43 19.939 19.927 -7.021
303 HD3 PRO 43 2HD PRO 43 18.396 19.646 -6.190
304 H SER 44 H SER 44 19.867 22.454 -8.710
305 HA SER 44 HA SER 44 21.749 24.326 -8.482
306 HB2 SER 44 1HB SER 44 21.951 24.417 -10.866
307 HB3 SER 44 2HB SER 44 21.371 22.800 -10.464
308 HG SER 44 HG SER 44 19.215 23.674 -10.893
309 H SER 45 H SER 45 18.438 24.991 -9.531
310 HA SER 45 HA SER 45 18.616 27.625 -10.273
311 HB2 SER 45 1HB SER 45 16.555 26.069 -10.196
312 HB3 SER 45 2HB SER 45 16.340 26.666 -8.550
313 HG SER 45 HG SER 45 16.729 28.534 -10.591
314 H GLY 46 H GLY 46 17.565 29.486 -8.914
315 HA2 GLY 46 1HA GLY 46 17.894 31.013 -7.232
316 HA3 GLY 46 2HA GLY 46 17.840 29.631 -6.147
Start of MODEL 14
1 H1 GLY 1 H GLY 1 18.595 -21.011 -9.018
2 HA2 GLY 1 1HA GLY 1 17.522 -18.444 -9.838
3 HA3 GLY 1 2HA GLY 1 18.765 -19.098 -10.894
4 H SER 2 H SER 2 18.336 -20.946 -12.121
5 HA SER 2 HA SER 2 16.984 -22.115 -13.551
6 HB2 SER 2 1HB SER 2 15.810 -22.797 -10.850
7 HB3 SER 2 2HB SER 2 15.365 -23.632 -12.338
8 HG SER 2 HG SER 2 17.017 -24.838 -11.805
9 H SER 3 H SER 3 16.246 -19.445 -13.469
10 HA SER 3 HA SER 3 13.625 -18.816 -12.891
11 HB2 SER 3 1HB SER 3 15.501 -17.303 -13.794
12 HB3 SER 3 2HB SER 3 14.978 -17.823 -15.396
13 HG SER 3 HG SER 3 13.013 -16.924 -13.639
14 H GLY 4 H GLY 4 12.034 -20.251 -13.341
15 HA2 GLY 4 1HA GLY 4 11.226 -20.501 -16.107
16 HA3 GLY 4 2HA GLY 4 11.709 -22.016 -15.360
17 H SER 5 H SER 5 10.000 -19.308 -13.858
18 HA SER 5 HA SER 5 7.750 -21.139 -13.350
19 HB2 SER 5 1HB SER 5 8.768 -20.509 -11.272
20 HB3 SER 5 2HB SER 5 8.800 -18.808 -11.736
21 HG SER 5 HG SER 5 7.014 -19.727 -10.293
22 H SER 6 H SER 6 5.653 -20.440 -13.669
23 HA SER 6 HA SER 6 5.397 -18.066 -15.376
24 HB2 SER 6 1HB SER 6 3.523 -20.412 -14.984
25 HB3 SER 6 2HB SER 6 3.235 -19.057 -16.075
26 HG SER 6 HG SER 6 4.709 -19.804 -17.425
27 H GLY 7 H GLY 7 3.604 -19.726 -12.773
28 HA2 GLY 7 1HA GLY 7 2.746 -18.694 -10.839
29 HA3 GLY 7 2HA GLY 7 2.990 -17.126 -11.594
30 H THR 8 H THR 8 0.823 -19.777 -11.129
31 HA THR 8 HA THR 8 -1.130 -18.977 -13.050
32 HB THR 8 HB THR 8 -1.574 -20.676 -10.590
33 HG1 THR 8 HG1 THR 8 -1.311 -22.340 -12.432
34 HG21 THR 8 3HG2 THR 8 -3.076 -21.467 -12.882
35 HG22 THR 8 1HG2 THR 8 -3.318 -19.741 -12.619
36 HG23 THR 8 2HG2 THR 8 -3.665 -20.887 -11.325
37 H GLY 9 H GLY 9 -2.968 -17.763 -12.802
38 HA2 GLY 9 1HA GLY 9 -4.599 -16.547 -11.618
39 HA3 GLY 9 2HA GLY 9 -3.612 -16.675 -10.170
40 H GLN 10 H GLN 10 -4.425 -14.769 -12.894
41 HA GLN 10 HA GLN 10 -2.382 -12.787 -12.133
42 HB2 GLN 10 1HB GLN 10 -2.605 -11.893 -14.433
43 HB3 GLN 10 2HB GLN 10 -2.025 -13.553 -14.399
44 HG2 GLN 10 1HG GLN 10 -3.586 -13.462 -16.142
45 HG3 GLN 10 2HG GLN 10 -4.417 -14.257 -14.806
46 HE21 GLN 10 1HE2 GLN 10 -6.469 -13.730 -15.371
47 HE22 GLN 10 2HE2 GLN 10 -7.076 -12.113 -15.393
48 H ARG 11 H ARG 11 -3.041 -10.503 -12.483
49 HA ARG 11 HA ARG 11 -5.903 -10.137 -11.884
50 HB2 ARG 11 1HB ARG 11 -3.462 -9.007 -10.624
51 HB3 ARG 11 2HB ARG 11 -4.841 -7.930 -10.797
52 HG2 ARG 11 1HG ARG 11 -4.943 -8.925 -8.638
53 HG3 ARG 11 2HG ARG 11 -6.230 -9.629 -9.621
54 HD2 ARG 11 1HD ARG 11 -5.384 -11.539 -8.717
55 HD3 ARG 11 2HD ARG 11 -4.343 -11.417 -10.135
56 HE ARG 11 HE ARG 11 -3.585 -10.974 -7.365
57 HH11 ARG 11 1HH1 ARG 11 -2.730 -10.740 -10.731
58 HH12 ARG 11 2HH1 ARG 11 -1.028 -10.634 -10.426
59 HH21 ARG 11 1HH2 ARG 11 -1.347 -10.834 -6.950
60 HH22 ARG 11 2HH2 ARG 11 -0.242 -10.688 -8.275
61 HA PRO 12 HA PRO 12 -6.212 -7.425 -15.322
62 HB2 PRO 12 1HB PRO 12 -8.111 -5.695 -14.443
63 HB3 PRO 12 2HB PRO 12 -8.471 -7.361 -14.910
64 HG2 PRO 12 1HG PRO 12 -8.073 -6.204 -12.178
65 HG3 PRO 12 2HG PRO 12 -9.294 -7.363 -12.736
66 HD2 PRO 12 1HD PRO 12 -7.078 -8.122 -11.378
67 HD3 PRO 12 2HD PRO 12 -7.840 -9.147 -12.611
68 H TYR 13 H TYR 13 -5.225 -6.280 -12.239
69 HA TYR 13 HA TYR 13 -4.374 -3.714 -13.405
70 HB2 TYR 13 1HB TYR 13 -4.557 -4.364 -10.463
71 HB3 TYR 13 2HB TYR 13 -4.379 -2.779 -11.207
72 HD1 TYR 13 HD2 TYR 13 -6.367 -2.319 -13.023
73 HD2 TYR 13 HD1 TYR 13 -6.634 -4.817 -9.589
74 HE1 TYR 13 HE2 TYR 13 -8.810 -2.037 -13.016
75 HE2 TYR 13 HE1 TYR 13 -9.078 -4.543 -9.573
76 HH TYR 13 HH TYR 13 -10.675 -2.193 -11.149
77 H GLU 14 H GLU 14 -2.313 -3.660 -13.979
78 HA GLU 14 HA GLU 14 -0.317 -4.892 -12.220
79 HB2 GLU 14 1HB GLU 14 -0.803 -5.494 -15.095
80 HB3 GLU 14 2HB GLU 14 0.867 -5.410 -14.552
81 HG2 GLU 14 1HG GLU 14 0.484 -7.139 -12.931
82 HG3 GLU 14 2HG GLU 14 -1.239 -7.157 -13.303
83 H CYS 15 H CYS 15 1.832 -4.021 -12.469
84 HA CYS 15 HA CYS 15 1.837 -1.327 -13.666
85 HB2 CYS 15 1HB CYS 15 1.859 -1.231 -11.215
86 HB3 CYS 15 2HB CYS 15 3.279 -2.271 -11.179
87 H ILE 16 H ILE 16 3.194 -1.117 -15.307
88 HA ILE 16 HA ILE 16 5.158 -3.127 -15.894
89 HB ILE 16 HB ILE 16 4.673 -0.478 -17.262
90 HG12 ILE 16 1HG1 ILE 16 3.660 -2.244 -18.974
91 HG13 ILE 16 2HG1 ILE 16 3.412 -3.171 -17.498
92 HG21 ILE 16 1HG2 ILE 16 6.393 -0.943 -18.585
93 HG22 ILE 16 2HG2 ILE 16 6.783 -2.305 -17.537
94 HG23 ILE 16 3HG2 ILE 16 5.740 -2.542 -18.940
95 HD11 ILE 16 3HD1 ILE 16 1.925 -1.623 -16.630
96 HD12 ILE 16 1HD1 ILE 16 2.485 -0.337 -17.698
97 HD13 ILE 16 2HD1 ILE 16 1.520 -1.664 -18.345
98 H GLU 17 H GLU 17 5.172 0.130 -14.591
99 HA GLU 17 HA GLU 17 7.741 0.957 -14.848
100 HB2 GLU 17 1HB GLU 17 6.136 1.076 -12.288
101 HB3 GLU 17 2HB GLU 17 7.512 2.095 -12.688
102 HG2 GLU 17 1HG GLU 17 6.314 3.190 -14.413
103 HG3 GLU 17 2HG GLU 17 4.999 2.019 -14.331
104 H CYS 18 H CYS 18 6.557 -1.514 -12.625
105 HA CYS 18 HA CYS 18 9.351 -2.292 -12.123
106 HB2 CYS 18 1HB CYS 18 8.620 -2.993 -9.825
107 HB3 CYS 18 2HB CYS 18 8.599 -1.254 -10.096
108 H GLY 19 H GLY 19 5.968 -3.300 -12.286
109 HA2 GLY 19 1HA GLY 19 5.426 -5.274 -13.591
110 HA3 GLY 19 2HA GLY 19 6.914 -6.001 -13.003
111 H LYS 20 H LYS 20 4.594 -4.232 -11.035
112 HA LYS 20 HA LYS 20 4.154 -6.692 -9.488
113 HB2 LYS 20 1HB LYS 20 4.261 -3.800 -8.797
114 HB3 LYS 20 2HB LYS 20 3.165 -4.813 -7.866
115 HG2 LYS 20 1HG LYS 20 5.956 -5.753 -8.238
116 HG3 LYS 20 2HG LYS 20 5.664 -4.414 -7.125
117 HD2 LYS 20 1HD LYS 20 5.454 -6.220 -5.713
118 HD3 LYS 20 2HD LYS 20 3.777 -5.982 -6.209
119 HE2 LYS 20 1HE LYS 20 3.928 -7.756 -7.806
120 HE3 LYS 20 2HE LYS 20 5.669 -7.897 -7.563
121 HZ1 LYS 20 3HZ LYS 20 3.885 -9.446 -6.346
122 HZ2 LYS 20 1HZ LYS 20 4.031 -8.221 -5.189
123 HZ3 LYS 20 2HZ LYS 20 5.399 -9.081 -5.687
124 H ALA 21 H ALA 21 2.052 -7.244 -8.779
125 HA ALA 21 HA ALA 21 -0.088 -6.128 -10.468
126 HB1 ALA 21 3HB ALA 21 0.077 -8.866 -9.214
127 HB2 ALA 21 1HB ALA 21 -1.218 -8.272 -10.255
128 HB3 ALA 21 2HB ALA 21 0.409 -8.485 -10.904
129 H PHE 22 H PHE 22 -2.204 -5.918 -9.547
130 HA PHE 22 HA PHE 22 -2.343 -5.939 -6.624
131 HB2 PHE 22 1HB PHE 22 -3.078 -3.548 -8.326
132 HB3 PHE 22 2HB PHE 22 -3.339 -3.686 -6.590
133 HD1 PHE 22 HD2 PHE 22 -0.690 -3.646 -9.185
134 HD2 PHE 22 HD1 PHE 22 -1.673 -3.068 -5.085
135 HE1 PHE 22 HE2 PHE 22 1.555 -2.725 -8.780
136 HE2 PHE 22 HE1 PHE 22 0.570 -2.145 -4.673
137 HZ PHE 22 HZ PHE 22 2.188 -1.974 -6.522
138 H LYS 23 H LYS 23 -4.255 -6.623 -5.857
139 HA LYS 23 HA LYS 23 -6.189 -7.688 -7.642
140 HB2 LYS 23 1HB LYS 23 -7.480 -8.173 -5.567
141 HB3 LYS 23 2HB LYS 23 -5.823 -8.761 -5.520
142 HG2 LYS 23 1HG LYS 23 -5.151 -7.068 -4.035
143 HG3 LYS 23 2HG LYS 23 -6.619 -6.129 -4.317
144 HD2 LYS 23 1HD LYS 23 -7.944 -7.884 -3.239
145 HD3 LYS 23 2HD LYS 23 -6.475 -8.822 -2.958
146 HE2 LYS 23 1HE LYS 23 -5.681 -7.336 -1.364
147 HE3 LYS 23 2HE LYS 23 -6.685 -6.012 -1.953
148 HZ1 LYS 23 3HZ LYS 23 -8.618 -7.060 -1.041
149 HZ2 LYS 23 1HZ LYS 23 -7.449 -6.953 0.177
150 HZ3 LYS 23 2HZ LYS 23 -7.736 -8.431 -0.592
151 H THR 24 H THR 24 -5.803 -4.630 -6.104
152 HA THR 24 HA THR 24 -8.402 -3.782 -7.193
153 HB THR 24 HB THR 24 -8.665 -2.228 -5.275
154 HG1 THR 24 HG1 THR 24 -6.408 -2.249 -4.659
155 HG21 THR 24 3HG2 THR 24 -8.554 -4.623 -3.707
156 HG22 THR 24 1HG2 THR 24 -9.108 -5.014 -5.334
157 HG23 THR 24 2HG2 THR 24 -9.962 -3.802 -4.379
158 H LYS 25 H LYS 25 -8.317 -2.023 -8.443
159 HA LYS 25 HA LYS 25 -5.901 -0.892 -9.269
160 HB2 LYS 25 1HB LYS 25 -8.139 -0.876 -10.479
161 HB3 LYS 25 2HB LYS 25 -8.581 0.481 -9.452
162 HG2 LYS 25 1HG LYS 25 -6.623 1.720 -10.321
163 HG3 LYS 25 2HG LYS 25 -6.309 0.378 -11.424
164 HD2 LYS 25 1HD LYS 25 -8.256 0.776 -12.651
165 HD3 LYS 25 2HD LYS 25 -8.984 1.733 -11.359
166 HE2 LYS 25 1HE LYS 25 -8.322 3.255 -13.055
167 HE3 LYS 25 2HE LYS 25 -7.168 3.429 -11.735
168 HZ1 LYS 25 3HZ LYS 25 -5.866 1.659 -13.130
169 HZ2 LYS 25 1HZ LYS 25 -5.764 3.305 -13.508
170 HZ3 LYS 25 2HZ LYS 25 -6.778 2.292 -14.406
171 H SER 26 H SER 26 -8.358 0.384 -7.039
172 HA SER 26 HA SER 26 -7.453 2.861 -6.469
173 HB2 SER 26 1HB SER 26 -9.391 1.923 -5.341
174 HB3 SER 26 2HB SER 26 -8.368 0.792 -4.457
175 HG SER 26 HG SER 26 -9.085 3.117 -3.631
176 H SER 27 H SER 27 -6.010 -0.159 -5.372
177 HA SER 27 HA SER 27 -4.047 1.141 -3.722
178 HB2 SER 27 1HB SER 27 -4.319 -1.715 -4.682
179 HB3 SER 27 2HB SER 27 -3.051 -1.165 -3.587
180 HG SER 27 HG SER 27 -4.436 -1.195 -2.013
181 H LEU 28 H LEU 28 -4.058 -0.434 -6.898
182 HA LEU 28 HA LEU 28 -1.334 -0.248 -7.458
183 HB2 LEU 28 1HB LEU 28 -2.532 -1.580 -8.920
184 HB3 LEU 28 2HB LEU 28 -3.800 -0.376 -9.137
185 HG LEU 28 HG LEU 28 -1.978 0.982 -10.371
186 HD11 LEU 28 1HD1 LEU 28 0.041 0.027 -10.289
187 HD12 LEU 28 2HD1 LEU 28 -0.578 -1.050 -11.540
188 HD13 LEU 28 3HD1 LEU 28 -0.616 -1.550 -9.849
189 HD21 LEU 28 3HD2 LEU 28 -2.603 -1.373 -12.008
190 HD22 LEU 28 1HD2 LEU 28 -2.981 0.329 -12.271
191 HD23 LEU 28 2HD2 LEU 28 -3.988 -0.641 -11.197
192 H ILE 29 H ILE 29 -3.866 2.149 -7.627
193 HA ILE 29 HA ILE 29 -2.515 4.047 -9.225
194 HB ILE 29 HB ILE 29 -4.619 4.523 -7.110
195 HG12 ILE 29 1HG1 ILE 29 -5.055 4.396 -10.086
196 HG13 ILE 29 2HG1 ILE 29 -5.120 2.945 -9.092
197 HG21 ILE 29 1HG2 ILE 29 -4.282 6.326 -9.435
198 HG22 ILE 29 2HG2 ILE 29 -4.794 6.683 -7.787
199 HG23 ILE 29 3HG2 ILE 29 -3.085 6.436 -8.145
200 HD11 ILE 29 3HD1 ILE 29 -7.314 3.495 -9.081
201 HD12 ILE 29 1HD1 ILE 29 -6.792 4.442 -7.688
202 HD13 ILE 29 2HD1 ILE 29 -6.999 5.222 -9.256
203 H CYS 30 H CYS 30 -2.831 3.742 -5.692
204 HA CYS 30 HA CYS 30 -1.229 5.970 -5.057
205 HB2 CYS 30 1HB CYS 30 -2.679 5.092 -3.374
206 HB3 CYS 30 2HB CYS 30 -1.953 3.493 -3.492
207 HG CYS 30 HG CYS 30 -1.237 4.711 -1.052
208 H HIS 31 H HIS 31 -0.429 2.867 -6.221
209 HA HIS 31 HA HIS 31 2.312 2.994 -5.223
210 HB2 HIS 31 1HB HIS 31 1.648 0.796 -5.064
211 HB3 HIS 31 2HB HIS 31 0.618 0.891 -6.490
212 HD1 HIS 31 HD1 HIS 31 4.009 -0.038 -5.382
213 HD2 HIS 31 HD2 HIS 31 2.025 0.621 -8.972
214 HE1 HIS 31 HE1 HIS 31 5.494 -1.016 -7.160
215 H ARG 32 H ARG 32 0.914 2.213 -8.410
216 HA ARG 32 HA ARG 32 3.066 2.638 -9.999
217 HB2 ARG 32 1HB ARG 32 1.589 3.000 -11.821
218 HB3 ARG 32 2HB ARG 32 0.740 1.938 -10.705
219 HG2 ARG 32 1HG ARG 32 -0.638 3.713 -9.933
220 HG3 ARG 32 2HG ARG 32 0.337 4.916 -10.781
221 HD2 ARG 32 1HD ARG 32 -0.901 2.724 -12.365
222 HD3 ARG 32 2HD ARG 32 -1.941 4.021 -11.777
223 HE ARG 32 HE ARG 32 0.407 5.000 -13.083
224 HH11 ARG 32 1HH1 ARG 32 -2.805 3.760 -13.602
225 HH12 ARG 32 2HH1 ARG 32 -3.005 4.552 -15.129
226 HH21 ARG 32 1HH2 ARG 32 0.155 6.048 -15.094
227 HH22 ARG 32 2HH2 ARG 32 -1.321 5.852 -15.978
228 H ARG 33 H ARG 33 1.264 5.047 -8.287
229 HA ARG 33 HA ARG 33 2.381 7.259 -9.786
230 HB2 ARG 33 1HB ARG 33 0.969 8.642 -8.567
231 HB3 ARG 33 2HB ARG 33 0.057 7.141 -8.632
232 HG2 ARG 33 1HG ARG 33 0.636 6.595 -6.393
233 HG3 ARG 33 2HG ARG 33 1.813 7.909 -6.316
234 HD2 ARG 33 1HD ARG 33 -1.011 8.587 -6.952
235 HD3 ARG 33 2HD ARG 33 -0.619 8.141 -5.291
236 HE ARG 33 HE ARG 33 0.132 10.558 -6.667
237 HH11 ARG 33 1HH1 ARG 33 0.843 8.404 -4.026
238 HH12 ARG 33 2HH1 ARG 33 1.663 9.611 -3.091
239 HH21 ARG 33 1HH2 ARG 33 1.209 12.156 -5.446
240 HH22 ARG 33 2HH2 ARG 33 1.869 11.745 -3.899
241 H SER 34 H SER 34 2.812 5.732 -6.633
242 HA SER 34 HA SER 34 4.485 7.538 -5.396
243 HB2 SER 34 1HB SER 34 4.502 4.517 -5.300
244 HB3 SER 34 2HB SER 34 5.471 5.526 -4.226
245 HG SER 34 HG SER 34 3.735 5.546 -3.044
246 H HIS 35 H HIS 35 5.157 5.415 -8.057
247 HA HIS 35 HA HIS 35 7.857 5.080 -8.042
248 HB2 HIS 35 1HB HIS 35 5.890 5.556 -10.236
249 HB3 HIS 35 2HB HIS 35 7.605 5.570 -10.637
250 HD1 HIS 35 HD1 HIS 35 8.810 3.339 -10.711
251 HD2 HIS 35 HD2 HIS 35 4.906 3.042 -9.324
252 HE1 HIS 35 HE1 HIS 35 8.309 0.876 -10.638
253 H THR 36 H THR 36 6.110 8.012 -8.976
254 HA THR 36 HA THR 36 8.057 9.590 -10.018
255 HB THR 36 HB THR 36 6.930 11.546 -9.017
256 HG1 THR 36 HG1 THR 36 5.946 11.262 -7.174
257 HG21 THR 36 3HG2 THR 36 5.975 10.513 -11.014
258 HG22 THR 36 1HG2 THR 36 4.702 11.141 -9.968
259 HG23 THR 36 2HG2 THR 36 5.037 9.410 -10.008
260 H GLY 37 H GLY 37 10.051 10.076 -9.394
261 HA2 GLY 37 1HA GLY 37 10.627 11.112 -6.800
262 HA3 GLY 37 2HA GLY 37 11.215 9.464 -6.966
263 H GLU 38 H GLU 38 13.326 9.476 -7.326
264 HA GLU 38 HA GLU 38 14.384 11.380 -9.308
265 HB2 GLU 38 1HB GLU 38 15.030 12.071 -7.034
266 HB3 GLU 38 2HB GLU 38 15.751 10.491 -6.762
267 HG2 GLU 38 1HG GLU 38 17.474 10.892 -8.307
268 HG3 GLU 38 2HG GLU 38 16.647 12.292 -8.986
269 H LYS 39 H LYS 39 15.747 10.570 -10.815
270 HA LYS 39 HA LYS 39 15.966 7.694 -10.994
271 HB2 LYS 39 1HB LYS 39 16.594 9.990 -12.814
272 HB3 LYS 39 2HB LYS 39 17.260 8.400 -13.158
273 HG2 LYS 39 1HG LYS 39 14.849 7.559 -12.977
274 HG3 LYS 39 2HG LYS 39 14.392 9.259 -13.105
275 HD2 LYS 39 1HD LYS 39 16.110 7.777 -15.095
276 HD3 LYS 39 2HD LYS 39 14.381 8.082 -15.283
277 HE2 LYS 39 1HE LYS 39 14.680 10.324 -15.659
278 HE3 LYS 39 2HE LYS 39 16.181 10.389 -14.736
279 HZ1 LYS 39 3HZ LYS 39 16.803 8.755 -16.799
280 HZ2 LYS 39 1HZ LYS 39 17.159 10.407 -16.725
281 HZ3 LYS 39 2HZ LYS 39 15.773 9.877 -17.535
282 HA PRO 40 HA PRO 40 20.017 7.301 -9.325
283 HB2 PRO 40 1HB PRO 40 20.802 5.031 -10.591
284 HB3 PRO 40 2HB PRO 40 19.620 5.038 -9.277
285 HG2 PRO 40 1HG PRO 40 19.166 4.923 -12.234
286 HG3 PRO 40 2HG PRO 40 18.369 4.005 -10.943
287 HD2 PRO 40 1HD PRO 40 17.231 6.168 -12.108
288 HD3 PRO 40 2HD PRO 40 16.955 5.744 -10.407
289 H SER 41 H SER 41 21.421 8.837 -9.986
290 HA SER 41 HA SER 41 22.296 8.934 -12.760
291 HB2 SER 41 1HB SER 41 23.607 10.955 -11.907
292 HB3 SER 41 2HB SER 41 21.849 11.080 -11.851
293 HG SER 41 HG SER 41 23.594 10.466 -9.699
294 H GLY 42 H GLY 42 23.693 8.451 -9.532
295 HA2 GLY 42 1HA GLY 42 25.455 6.996 -9.009
296 HA3 GLY 42 2HA GLY 42 25.810 6.845 -10.724
297 HA PRO 43 HA PRO 43 28.484 10.123 -8.408
298 HB2 PRO 43 1HB PRO 43 30.508 8.591 -7.446
299 HB3 PRO 43 2HB PRO 43 29.068 8.983 -6.500
300 HG2 PRO 43 1HG PRO 43 29.709 6.490 -8.028
301 HG3 PRO 43 2HG PRO 43 28.986 6.661 -6.417
302 HD2 PRO 43 1HD PRO 43 27.511 6.147 -8.629
303 HD3 PRO 43 2HD PRO 43 26.890 7.101 -7.267
304 H SER 44 H SER 44 29.353 11.037 -10.173
305 HA SER 44 HA SER 44 31.505 9.593 -11.548
306 HB2 SER 44 1HB SER 44 29.201 11.031 -12.878
307 HB3 SER 44 2HB SER 44 30.677 10.566 -13.723
308 HG SER 44 HG SER 44 29.811 8.677 -13.940
309 H SER 45 H SER 45 33.254 10.809 -12.041
310 HA SER 45 HA SER 45 33.050 13.724 -11.709
311 HB2 SER 45 1HB SER 45 34.970 11.832 -10.381
312 HB3 SER 45 2HB SER 45 35.435 13.505 -10.687
313 HG SER 45 HG SER 45 34.352 12.924 -8.592
314 H GLY 46 H GLY 46 34.661 14.953 -12.827
315 HA2 GLY 46 1HA GLY 46 36.040 13.444 -14.959
316 HA3 GLY 46 2HA GLY 46 35.142 14.914 -15.306
Start of MODEL 15
1 H1 GLY 1 H GLY 1 9.165 -15.329 -25.256
2 HA2 GLY 1 1HA GLY 1 6.527 -15.445 -26.413
3 HA3 GLY 1 2HA GLY 1 7.812 -15.742 -27.575
4 H SER 2 H SER 2 7.287 -16.712 -24.185
5 HA SER 2 HA SER 2 7.334 -19.515 -25.038
6 HB2 SER 2 1HB SER 2 8.907 -20.099 -23.242
7 HB3 SER 2 2HB SER 2 9.635 -18.952 -24.367
8 HG SER 2 HG SER 2 9.632 -18.654 -21.859
9 H SER 3 H SER 3 5.634 -20.531 -24.229
10 HA SER 3 HA SER 3 4.022 -19.344 -22.177
11 HB2 SER 3 1HB SER 3 3.838 -21.815 -23.864
12 HB3 SER 3 2HB SER 3 2.799 -21.654 -22.449
13 HG SER 3 HG SER 3 1.702 -20.110 -23.411
14 H GLY 4 H GLY 4 4.965 -19.332 -20.199
15 HA2 GLY 4 1HA GLY 4 4.911 -20.738 -18.164
16 HA3 GLY 4 2HA GLY 4 5.755 -21.961 -19.102
17 H SER 5 H SER 5 6.241 -18.465 -18.602
18 HA SER 5 HA SER 5 8.937 -19.074 -17.597
19 HB2 SER 5 1HB SER 5 8.811 -18.260 -20.056
20 HB3 SER 5 2HB SER 5 8.429 -16.687 -19.357
21 HG SER 5 HG SER 5 10.799 -18.172 -19.228
22 H SER 6 H SER 6 6.563 -16.448 -18.012
23 HA SER 6 HA SER 6 7.199 -15.574 -15.271
24 HB2 SER 6 1HB SER 6 6.762 -13.913 -17.748
25 HB3 SER 6 2HB SER 6 6.555 -13.238 -16.132
26 HG SER 6 HG SER 6 8.855 -13.912 -17.485
27 H GLY 7 H GLY 7 5.440 -16.818 -14.493
28 HA2 GLY 7 1HA GLY 7 2.853 -15.489 -14.912
29 HA3 GLY 7 2HA GLY 7 2.949 -17.234 -15.104
30 H THR 8 H THR 8 3.409 -14.597 -12.799
31 HA THR 8 HA THR 8 3.371 -16.467 -10.565
32 HB THR 8 HB THR 8 4.965 -14.675 -10.368
33 HG1 THR 8 HG1 THR 8 3.313 -15.280 -8.543
34 HG21 THR 8 3HG2 THR 8 3.005 -13.138 -11.649
35 HG22 THR 8 1HG2 THR 8 4.594 -12.603 -11.105
36 HG23 THR 8 2HG2 THR 8 3.193 -12.426 -10.047
37 H GLY 9 H GLY 9 1.244 -14.356 -12.274
38 HA2 GLY 9 1HA GLY 9 -1.095 -15.327 -11.181
39 HA3 GLY 9 2HA GLY 9 -0.655 -13.948 -10.184
40 H GLN 10 H GLN 10 -2.770 -14.648 -12.371
41 HA GLN 10 HA GLN 10 -2.318 -12.385 -14.167
42 HB2 GLN 10 1HB GLN 10 -4.273 -14.676 -14.187
43 HB3 GLN 10 2HB GLN 10 -4.446 -13.296 -15.263
44 HG2 GLN 10 1HG GLN 10 -2.625 -13.863 -16.517
45 HG3 GLN 10 2HG GLN 10 -1.834 -14.707 -15.187
46 HE21 GLN 10 1HE2 GLN 10 -2.464 -15.486 -17.994
47 HE22 GLN 10 2HE2 GLN 10 -3.308 -16.987 -17.859
48 H ARG 11 H ARG 11 -2.849 -10.524 -13.170
49 HA ARG 11 HA ARG 11 -5.505 -10.372 -11.900
50 HB2 ARG 11 1HB ARG 11 -3.015 -8.754 -11.333
51 HB3 ARG 11 2HB ARG 11 -4.591 -8.442 -10.618
52 HG2 ARG 11 1HG ARG 11 -3.447 -11.166 -10.334
53 HG3 ARG 11 2HG ARG 11 -2.750 -9.860 -9.373
54 HD2 ARG 11 1HD ARG 11 -4.814 -9.411 -8.313
55 HD3 ARG 11 2HD ARG 11 -5.707 -10.393 -9.473
56 HE ARG 11 HE ARG 11 -5.206 -12.247 -8.232
57 HH11 ARG 11 1HH1 ARG 11 -3.095 -9.644 -7.289
58 HH12 ARG 11 2HH1 ARG 11 -2.418 -10.505 -5.947
59 HH21 ARG 11 1HH2 ARG 11 -4.322 -13.391 -6.468
60 HH22 ARG 11 2HH2 ARG 11 -3.115 -12.637 -5.481
61 HA PRO 12 HA PRO 12 -6.767 -7.429 -14.904
62 HB2 PRO 12 1HB PRO 12 -8.455 -5.890 -13.437
63 HB3 PRO 12 2HB PRO 12 -8.854 -7.535 -13.948
64 HG2 PRO 12 1HG PRO 12 -7.836 -6.567 -11.305
65 HG3 PRO 12 2HG PRO 12 -9.110 -7.752 -11.647
66 HD2 PRO 12 1HD PRO 12 -6.597 -8.476 -10.945
67 HD3 PRO 12 2HD PRO 12 -7.600 -9.449 -12.040
68 H TYR 13 H TYR 13 -4.839 -6.596 -12.286
69 HA TYR 13 HA TYR 13 -4.216 -4.012 -13.508
70 HB2 TYR 13 1HB TYR 13 -4.624 -4.358 -10.531
71 HB3 TYR 13 2HB TYR 13 -4.168 -2.873 -11.360
72 HD1 TYR 13 HD2 TYR 13 -5.843 -1.911 -13.054
73 HD2 TYR 13 HD1 TYR 13 -6.876 -4.866 -10.172
74 HE1 TYR 13 HE2 TYR 13 -8.217 -1.317 -13.304
75 HE2 TYR 13 HE1 TYR 13 -9.252 -4.281 -10.415
76 HH TYR 13 HH TYR 13 -10.749 -3.196 -11.797
77 H GLU 14 H GLU 14 -2.155 -4.193 -14.073
78 HA GLU 14 HA GLU 14 -0.254 -5.263 -12.103
79 HB2 GLU 14 1HB GLU 14 -0.650 -6.084 -14.940
80 HB3 GLU 14 2HB GLU 14 0.996 -6.025 -14.324
81 HG2 GLU 14 1HG GLU 14 0.560 -7.661 -12.696
82 HG3 GLU 14 2HG GLU 14 -1.185 -7.519 -12.908
83 H CYS 15 H CYS 15 1.593 -4.122 -11.860
84 HA CYS 15 HA CYS 15 1.754 -1.553 -13.172
85 HB2 CYS 15 1HB CYS 15 2.233 -1.542 -10.839
86 HB3 CYS 15 2HB CYS 15 3.375 -2.873 -10.996
87 H ILE 16 H ILE 16 3.029 -1.024 -14.829
88 HA ILE 16 HA ILE 16 4.757 -3.082 -15.959
89 HB ILE 16 HB ILE 16 3.194 -1.952 -17.465
90 HG12 ILE 16 1HG1 ILE 16 5.968 -1.025 -18.186
91 HG13 ILE 16 2HG1 ILE 16 5.544 -2.733 -18.162
92 HG21 ILE 16 1HG2 ILE 16 3.659 0.288 -16.053
93 HG22 ILE 16 2HG2 ILE 16 4.694 0.586 -17.448
94 HG23 ILE 16 3HG2 ILE 16 2.972 0.285 -17.677
95 HD11 ILE 16 3HD1 ILE 16 4.249 -0.608 -19.854
96 HD12 ILE 16 1HD1 ILE 16 5.396 -1.829 -20.403
97 HD13 ILE 16 2HD1 ILE 16 3.802 -2.314 -19.824
98 H GLU 17 H GLU 17 4.942 0.060 -14.443
99 HA GLU 17 HA GLU 17 7.409 0.989 -15.144
100 HB2 GLU 17 1HB GLU 17 6.113 0.978 -12.416
101 HB3 GLU 17 2HB GLU 17 7.561 1.898 -12.798
102 HG2 GLU 17 1HG GLU 17 4.798 2.254 -13.915
103 HG3 GLU 17 2HG GLU 17 5.735 3.388 -12.944
104 H CYS 18 H CYS 18 6.817 -1.179 -12.371
105 HA CYS 18 HA CYS 18 9.621 -2.054 -12.576
106 HB2 CYS 18 1HB CYS 18 9.469 -2.677 -10.217
107 HB3 CYS 18 2HB CYS 18 9.047 -0.982 -10.437
108 H GLY 19 H GLY 19 6.313 -3.198 -11.982
109 HA2 GLY 19 1HA GLY 19 5.696 -5.193 -13.347
110 HA3 GLY 19 2HA GLY 19 7.212 -5.892 -12.800
111 H LYS 20 H LYS 20 4.132 -4.606 -11.590
112 HA LYS 20 HA LYS 20 4.184 -6.700 -9.524
113 HB2 LYS 20 1HB LYS 20 3.374 -3.810 -9.170
114 HB3 LYS 20 2HB LYS 20 3.045 -5.073 -7.991
115 HG2 LYS 20 1HG LYS 20 5.835 -4.527 -8.930
116 HG3 LYS 20 2HG LYS 20 5.095 -3.571 -7.644
117 HD2 LYS 20 1HD LYS 20 5.149 -6.573 -7.554
118 HD3 LYS 20 2HD LYS 20 6.497 -5.602 -6.959
119 HE2 LYS 20 1HE LYS 20 4.623 -4.350 -5.635
120 HE3 LYS 20 2HE LYS 20 3.708 -5.831 -5.912
121 HZ1 LYS 20 3HZ LYS 20 6.405 -5.765 -4.675
122 HZ2 LYS 20 1HZ LYS 20 5.363 -7.094 -4.787
123 HZ3 LYS 20 2HZ LYS 20 4.963 -5.788 -3.790
124 H ALA 21 H ALA 21 1.880 -6.814 -8.476
125 HA ALA 21 HA ALA 21 -0.242 -6.336 -10.417
126 HB1 ALA 21 3HB ALA 21 0.018 -9.097 -9.288
127 HB2 ALA 21 1HB ALA 21 -0.904 -8.545 -10.687
128 HB3 ALA 21 2HB ALA 21 0.855 -8.644 -10.772
129 H PHE 22 H PHE 22 -2.051 -5.697 -9.435
130 HA PHE 22 HA PHE 22 -2.413 -6.376 -6.592
131 HB2 PHE 22 1HB PHE 22 -3.044 -3.742 -7.939
132 HB3 PHE 22 2HB PHE 22 -3.426 -4.143 -6.268
133 HD1 PHE 22 HD2 PHE 22 -0.656 -3.587 -8.646
134 HD2 PHE 22 HD1 PHE 22 -1.814 -3.944 -4.565
135 HE1 PHE 22 HE2 PHE 22 1.559 -2.773 -7.950
136 HE2 PHE 22 HE1 PHE 22 0.399 -3.130 -3.863
137 HZ PHE 22 HZ PHE 22 2.089 -2.545 -5.556
138 H LYS 23 H LYS 23 -4.642 -6.356 -5.847
139 HA LYS 23 HA LYS 23 -6.378 -7.659 -7.709
140 HB2 LYS 23 1HB LYS 23 -6.738 -6.766 -4.850
141 HB3 LYS 23 2HB LYS 23 -8.003 -7.581 -5.760
142 HG2 LYS 23 1HG LYS 23 -6.849 -9.584 -5.824
143 HG3 LYS 23 2HG LYS 23 -5.291 -8.812 -5.520
144 HD2 LYS 23 1HD LYS 23 -5.729 -9.777 -3.473
145 HD3 LYS 23 2HD LYS 23 -6.388 -8.156 -3.241
146 HE2 LYS 23 1HE LYS 23 -7.979 -9.725 -2.396
147 HE3 LYS 23 2HE LYS 23 -8.623 -9.053 -3.893
148 HZ1 LYS 23 3HZ LYS 23 -7.344 -11.193 -4.819
149 HZ2 LYS 23 1HZ LYS 23 -8.972 -11.210 -4.360
150 HZ3 LYS 23 2HZ LYS 23 -7.787 -11.765 -3.289
151 H THR 24 H THR 24 -6.520 -4.566 -5.956
152 HA THR 24 HA THR 24 -8.639 -3.694 -7.803
153 HB THR 24 HB THR 24 -9.183 -1.959 -6.153
154 HG1 THR 24 HG1 THR 24 -7.556 -3.160 -4.219
155 HG21 THR 24 3HG2 THR 24 -10.383 -3.332 -4.739
156 HG22 THR 24 1HG2 THR 24 -9.064 -4.490 -4.568
157 HG23 THR 24 2HG2 THR 24 -10.011 -4.444 -6.056
158 H LYS 25 H LYS 25 -8.579 -1.464 -8.544
159 HA LYS 25 HA LYS 25 -5.971 -0.743 -9.482
160 HB2 LYS 25 1HB LYS 25 -8.150 -0.464 -10.752
161 HB3 LYS 25 2HB LYS 25 -8.492 0.902 -9.699
162 HG2 LYS 25 1HG LYS 25 -6.223 1.813 -10.478
163 HG3 LYS 25 2HG LYS 25 -6.349 0.617 -11.770
164 HD2 LYS 25 1HD LYS 25 -8.560 1.584 -12.370
165 HD3 LYS 25 2HD LYS 25 -8.293 2.842 -11.161
166 HE2 LYS 25 1HE LYS 25 -6.371 2.311 -13.413
167 HE3 LYS 25 2HE LYS 25 -7.722 3.434 -13.560
168 HZ1 LYS 25 3HZ LYS 25 -5.468 4.366 -12.875
169 HZ2 LYS 25 1HZ LYS 25 -5.766 3.675 -11.360
170 HZ3 LYS 25 2HZ LYS 25 -6.815 4.850 -11.975
171 H SER 26 H SER 26 -8.257 0.590 -7.137
172 HA SER 26 HA SER 26 -7.089 3.002 -6.548
173 HB2 SER 26 1HB SER 26 -8.102 2.826 -4.334
174 HB3 SER 26 2HB SER 26 -9.206 2.188 -5.552
175 HG SER 26 HG SER 26 -7.933 0.906 -3.477
176 H SER 27 H SER 27 -6.187 -0.195 -5.331
177 HA SER 27 HA SER 27 -4.178 0.731 -3.554
178 HB2 SER 27 1HB SER 27 -3.766 -1.495 -3.100
179 HB3 SER 27 2HB SER 27 -5.398 -1.611 -3.758
180 HG SER 27 HG SER 27 -3.597 -3.046 -4.606
181 H LEU 28 H LEU 28 -4.184 -0.236 -6.932
182 HA LEU 28 HA LEU 28 -1.367 -0.317 -7.257
183 HB2 LEU 28 1HB LEU 28 -2.698 -1.455 -8.848
184 HB3 LEU 28 2HB LEU 28 -3.652 -0.012 -9.186
185 HG LEU 28 HG LEU 28 -1.458 0.970 -10.106
186 HD11 LEU 28 1HD1 LEU 28 0.087 -0.656 -9.251
187 HD12 LEU 28 2HD1 LEU 28 0.075 -0.757 -11.011
188 HD13 LEU 28 3HD1 LEU 28 -0.780 -1.966 -10.054
189 HD21 LEU 28 3HD2 LEU 28 -3.219 0.522 -11.603
190 HD22 LEU 28 1HD2 LEU 28 -3.035 -1.223 -11.425
191 HD23 LEU 28 2HD2 LEU 28 -1.808 -0.290 -12.282
192 H ILE 29 H ILE 29 -3.780 2.148 -8.161
193 HA ILE 29 HA ILE 29 -2.310 4.090 -9.284
194 HB ILE 29 HB ILE 29 -4.341 4.532 -7.094
195 HG12 ILE 29 1HG1 ILE 29 -4.656 4.566 -10.103
196 HG13 ILE 29 2HG1 ILE 29 -5.131 3.229 -9.061
197 HG21 ILE 29 1HG2 ILE 29 -2.789 6.470 -7.648
198 HG22 ILE 29 2HG2 ILE 29 -3.569 6.497 -9.229
199 HG23 ILE 29 3HG2 ILE 29 -4.522 6.775 -7.771
200 HD11 ILE 29 3HD1 ILE 29 -6.949 4.827 -9.812
201 HD12 ILE 29 1HD1 ILE 29 -6.865 4.462 -8.089
202 HD13 ILE 29 2HD1 ILE 29 -6.233 5.992 -8.700
203 H CYS 30 H CYS 30 -2.611 3.715 -5.750
204 HA CYS 30 HA CYS 30 -0.904 5.749 -4.976
205 HB2 CYS 30 1HB CYS 30 -2.369 4.315 -3.490
206 HB3 CYS 30 2HB CYS 30 -1.113 3.085 -3.569
207 HG CYS 30 HG CYS 30 0.842 4.902 -2.479
208 H HIS 31 H HIS 31 -0.144 2.456 -5.972
209 HA HIS 31 HA HIS 31 2.621 2.582 -5.317
210 HB2 HIS 31 1HB HIS 31 1.623 0.421 -5.519
211 HB3 HIS 31 2HB HIS 31 1.038 0.772 -7.142
212 HD1 HIS 31 HD1 HIS 31 4.416 0.529 -5.396
213 HD2 HIS 31 HD2 HIS 31 2.622 -0.285 -9.053
214 HE1 HIS 31 HE1 HIS 31 6.204 -0.552 -6.796
215 H ARG 32 H ARG 32 0.822 2.988 -8.353
216 HA ARG 32 HA ARG 32 3.041 3.438 -10.010
217 HB2 ARG 32 1HB ARG 32 0.203 4.445 -10.275
218 HB3 ARG 32 2HB ARG 32 1.411 4.503 -11.552
219 HG2 ARG 32 1HG ARG 32 0.754 1.891 -10.273
220 HG3 ARG 32 2HG ARG 32 -0.339 2.578 -11.476
221 HD2 ARG 32 1HD ARG 32 1.937 2.886 -12.806
222 HD3 ARG 32 2HD ARG 32 2.424 1.534 -11.784
223 HE ARG 32 HE ARG 32 0.971 0.162 -12.938
224 HH11 ARG 32 1HH1 ARG 32 0.467 3.483 -13.851
225 HH12 ARG 32 2HH1 ARG 32 -0.543 3.094 -15.204
226 HH21 ARG 32 1HH2 ARG 32 -0.358 -0.363 -14.716
227 HH22 ARG 32 2HH2 ARG 32 -1.013 0.906 -15.694
228 H ARG 33 H ARG 33 0.834 5.798 -8.501
229 HA ARG 33 HA ARG 33 2.163 8.103 -9.333
230 HB2 ARG 33 1HB ARG 33 0.813 9.276 -7.840
231 HB3 ARG 33 2HB ARG 33 -0.129 7.827 -8.163
232 HG2 ARG 33 1HG ARG 33 -0.320 7.886 -5.906
233 HG3 ARG 33 2HG ARG 33 1.172 6.951 -6.031
234 HD2 ARG 33 1HD ARG 33 2.242 9.379 -6.015
235 HD3 ARG 33 2HD ARG 33 0.747 9.759 -5.161
236 HE ARG 33 HE ARG 33 1.962 7.462 -4.044
237 HH11 ARG 33 1HH1 ARG 33 2.298 10.923 -4.222
238 HH12 ARG 33 2HH1 ARG 33 3.102 11.054 -2.692
239 HH21 ARG 33 1HH2 ARG 33 3.019 7.622 -2.029
240 HH22 ARG 33 2HH2 ARG 33 3.512 9.176 -1.447
241 H SER 34 H SER 34 2.819 5.921 -6.685
242 HA SER 34 HA SER 34 4.543 7.571 -5.193
243 HB2 SER 34 1HB SER 34 3.572 5.457 -4.337
244 HB3 SER 34 2HB SER 34 4.605 4.553 -5.444
245 HG SER 34 HG SER 34 6.333 5.917 -4.286
246 H HIS 35 H HIS 35 5.159 5.285 -7.827
247 HA HIS 35 HA HIS 35 7.873 5.155 -7.893
248 HB2 HIS 35 1HB HIS 35 5.803 5.228 -10.043
249 HB3 HIS 35 2HB HIS 35 7.498 5.313 -10.514
250 HD1 HIS 35 HD1 HIS 35 8.962 3.275 -9.178
251 HD2 HIS 35 HD2 HIS 35 4.936 2.680 -10.012
252 HE1 HIS 35 HE1 HIS 35 8.621 0.784 -9.104
253 H THR 36 H THR 36 6.084 7.575 -9.811
254 HA THR 36 HA THR 36 8.436 9.191 -10.133
255 HB THR 36 HB THR 36 6.816 9.129 -11.934
256 HG1 THR 36 HG1 THR 36 7.984 11.157 -11.348
257 HG21 THR 36 3HG2 THR 36 4.590 9.434 -11.711
258 HG22 THR 36 1HG2 THR 36 4.783 10.741 -10.544
259 HG23 THR 36 2HG2 THR 36 4.898 9.063 -10.014
260 H GLY 37 H GLY 37 5.670 9.152 -8.006
261 HA2 GLY 37 1HA GLY 37 4.989 10.599 -6.337
262 HA3 GLY 37 2HA GLY 37 6.702 10.580 -5.946
263 H GLU 38 H GLU 38 7.922 12.372 -6.302
264 HA GLU 38 HA GLU 38 6.794 14.869 -6.362
265 HB2 GLU 38 1HB GLU 38 9.156 14.367 -5.770
266 HB3 GLU 38 2HB GLU 38 9.511 14.156 -7.479
267 HG2 GLU 38 1HG GLU 38 10.177 16.306 -7.234
268 HG3 GLU 38 2HG GLU 38 8.480 16.584 -7.624
269 H LYS 39 H LYS 39 6.215 16.349 -7.886
270 HA LYS 39 HA LYS 39 5.469 17.148 -9.880
271 HB2 LYS 39 1HB LYS 39 7.978 16.949 -10.313
272 HB3 LYS 39 2HB LYS 39 7.606 15.466 -11.182
273 HG2 LYS 39 1HG LYS 39 6.100 16.778 -12.659
274 HG3 LYS 39 2HG LYS 39 6.654 18.243 -11.845
275 HD2 LYS 39 1HD LYS 39 8.653 16.351 -13.009
276 HD3 LYS 39 2HD LYS 39 7.786 17.466 -14.068
277 HE2 LYS 39 1HE LYS 39 8.547 19.346 -12.675
278 HE3 LYS 39 2HE LYS 39 9.444 18.217 -11.662
279 HZ1 LYS 39 3HZ LYS 39 10.935 19.189 -13.229
280 HZ2 LYS 39 1HZ LYS 39 9.925 18.804 -14.531
281 HZ3 LYS 39 2HZ LYS 39 10.707 17.573 -13.674
282 HA PRO 40 HA PRO 40 3.447 12.951 -10.677
283 HB2 PRO 40 1HB PRO 40 1.068 13.511 -9.495
284 HB3 PRO 40 2HB PRO 40 2.430 12.798 -8.622
285 HG2 PRO 40 1HG PRO 40 1.522 15.650 -8.714
286 HG3 PRO 40 2HG PRO 40 2.062 14.692 -7.323
287 HD2 PRO 40 1HD PRO 40 3.673 16.466 -8.582
288 HD3 PRO 40 2HD PRO 40 4.292 14.984 -7.827
289 H SER 41 H SER 41 1.068 12.756 -11.602
290 HA SER 41 HA SER 41 0.984 14.125 -14.013
291 HB2 SER 41 1HB SER 41 -1.101 12.607 -12.465
292 HB3 SER 41 2HB SER 41 -1.500 13.385 -13.997
293 HG SER 41 HG SER 41 0.714 12.092 -14.445
294 H GLY 42 H GLY 42 1.061 16.320 -13.963
295 HA2 GLY 42 1HA GLY 42 0.129 18.431 -13.945
296 HA3 GLY 42 2HA GLY 42 -1.368 17.716 -13.366
297 HA PRO 43 HA PRO 43 0.801 20.187 -9.985
298 HB2 PRO 43 1HB PRO 43 -1.120 22.083 -9.693
299 HB3 PRO 43 2HB PRO 43 0.231 22.250 -10.821
300 HG2 PRO 43 1HG PRO 43 -2.589 21.399 -11.356
301 HG3 PRO 43 2HG PRO 43 -1.555 22.497 -12.289
302 HD2 PRO 43 1HD PRO 43 -1.958 19.917 -13.004
303 HD3 PRO 43 2HD PRO 43 -0.432 20.768 -13.319
304 H SER 44 H SER 44 -0.067 20.593 -7.794
305 HA SER 44 HA SER 44 -2.543 19.169 -7.167
306 HB2 SER 44 1HB SER 44 -0.403 17.680 -6.989
307 HB3 SER 44 2HB SER 44 -0.107 18.593 -5.510
308 HG SER 44 HG SER 44 -1.906 16.610 -5.994
309 H SER 45 H SER 45 -3.697 20.684 -6.171
310 HA SER 45 HA SER 45 -2.436 22.161 -3.963
311 HB2 SER 45 1HB SER 45 -3.652 24.189 -4.598
312 HB3 SER 45 2HB SER 45 -2.613 23.658 -5.920
313 HG SER 45 HG SER 45 -5.177 22.634 -5.952
314 H GLY 46 H GLY 46 -4.289 23.351 -2.685
315 HA2 GLY 46 1HA GLY 46 -6.076 21.250 -1.813
316 HA3 GLY 46 2HA GLY 46 -5.872 22.828 -1.065
Start of MODEL 16
1 H1 GLY 1 H GLY 1 5.241 -20.949 -11.982
2 HA2 GLY 1 1HA GLY 1 3.891 -21.156 -9.743
3 HA3 GLY 1 2HA GLY 1 3.005 -21.067 -11.258
4 H SER 2 H SER 2 4.377 -23.300 -8.890
5 HA SER 2 HA SER 2 2.545 -25.383 -9.868
6 HB2 SER 2 1HB SER 2 5.045 -25.609 -8.176
7 HB3 SER 2 2HB SER 2 3.997 -26.964 -8.598
8 HG SER 2 HG SER 2 5.318 -25.288 -10.471
9 H SER 3 H SER 3 3.809 -23.963 -6.862
10 HA SER 3 HA SER 3 1.891 -25.254 -5.196
11 HB2 SER 3 1HB SER 3 2.783 -23.907 -3.410
12 HB3 SER 3 2HB SER 3 4.132 -24.412 -4.427
13 HG SER 3 HG SER 3 4.543 -22.388 -4.746
14 H GLY 4 H GLY 4 -0.129 -24.677 -4.693
15 HA2 GLY 4 1HA GLY 4 -1.196 -22.196 -4.301
16 HA3 GLY 4 2HA GLY 4 -1.334 -22.440 -6.036
17 H SER 5 H SER 5 -2.684 -23.088 -2.984
18 HA SER 5 HA SER 5 -4.145 -25.429 -3.523
19 HB2 SER 5 1HB SER 5 -3.885 -24.611 -1.249
20 HB3 SER 5 2HB SER 5 -4.766 -23.136 -1.645
21 HG SER 5 HG SER 5 -6.371 -25.035 -2.341
22 H SER 6 H SER 6 -6.285 -25.747 -4.166
23 HA SER 6 HA SER 6 -7.195 -24.194 -6.300
24 HB2 SER 6 1HB SER 6 -8.872 -26.037 -4.581
25 HB3 SER 6 2HB SER 6 -9.203 -25.551 -6.244
26 HG SER 6 HG SER 6 -7.057 -26.556 -6.683
27 H GLY 7 H GLY 7 -8.356 -22.382 -6.436
28 HA2 GLY 7 1HA GLY 7 -10.365 -21.186 -5.593
29 HA3 GLY 7 2HA GLY 7 -9.704 -21.431 -3.983
30 H THR 8 H THR 8 -8.886 -19.957 -7.115
31 HA THR 8 HA THR 8 -8.052 -17.535 -5.763
32 HB THR 8 HB THR 8 -5.991 -18.880 -5.710
33 HG1 THR 8 HG1 THR 8 -5.883 -16.750 -7.605
34 HG21 THR 8 3HG2 THR 8 -6.791 -19.512 -8.402
35 HG22 THR 8 1HG2 THR 8 -5.541 -20.256 -7.406
36 HG23 THR 8 2HG2 THR 8 -5.160 -18.842 -8.388
37 H GLY 9 H GLY 9 -7.503 -15.795 -7.320
38 HA2 GLY 9 1HA GLY 9 -8.877 -16.228 -9.901
39 HA3 GLY 9 2HA GLY 9 -9.052 -14.752 -8.964
40 H GLN 10 H GLN 10 -8.339 -13.526 -10.759
41 HA GLN 10 HA GLN 10 -5.424 -13.642 -11.151
42 HB2 GLN 10 1HB GLN 10 -7.581 -13.212 -13.211
43 HB3 GLN 10 2HB GLN 10 -5.908 -12.746 -13.490
44 HG2 GLN 10 1HG GLN 10 -5.232 -15.090 -13.092
45 HG3 GLN 10 2HG GLN 10 -6.935 -15.521 -12.946
46 HE21 GLN 10 1HE2 GLN 10 -8.241 -14.492 -14.884
47 HE22 GLN 10 2HE2 GLN 10 -7.586 -14.859 -16.439
48 H ARG 11 H ARG 11 -4.393 -11.625 -11.595
49 HA ARG 11 HA ARG 11 -5.949 -9.304 -10.659
50 HB2 ARG 11 1HB ARG 11 -3.012 -9.924 -10.307
51 HB3 ARG 11 2HB ARG 11 -3.757 -8.392 -9.874
52 HG2 ARG 11 1HG ARG 11 -4.802 -9.253 -8.043
53 HG3 ARG 11 2HG ARG 11 -4.927 -10.870 -8.739
54 HD2 ARG 11 1HD ARG 11 -2.225 -9.789 -8.115
55 HD3 ARG 11 2HD ARG 11 -3.240 -10.340 -6.783
56 HE ARG 11 HE ARG 11 -3.355 -12.408 -8.502
57 HH11 ARG 11 1HH1 ARG 11 -0.700 -10.585 -7.180
58 HH12 ARG 11 2HH1 ARG 11 0.410 -11.915 -7.232
59 HH21 ARG 11 1HH2 ARG 11 -1.904 -14.167 -8.575
60 HH22 ARG 11 2HH2 ARG 11 -0.276 -13.951 -8.026
61 HA PRO 12 HA PRO 12 -4.860 -8.288 -14.991
62 HB2 PRO 12 1HB PRO 12 -7.059 -6.749 -15.397
63 HB3 PRO 12 2HB PRO 12 -7.072 -8.507 -15.572
64 HG2 PRO 12 1HG PRO 12 -7.980 -6.827 -13.268
65 HG3 PRO 12 2HG PRO 12 -8.759 -8.244 -13.994
66 HD2 PRO 12 1HD PRO 12 -7.313 -8.387 -11.709
67 HD3 PRO 12 2HD PRO 12 -7.394 -9.725 -12.873
68 H TYR 13 H TYR 13 -4.836 -6.685 -12.111
69 HA TYR 13 HA TYR 13 -4.390 -4.035 -13.273
70 HB2 TYR 13 1HB TYR 13 -4.747 -4.982 -10.431
71 HB3 TYR 13 2HB TYR 13 -4.262 -3.339 -10.832
72 HD1 TYR 13 HD1 TYR 13 -6.463 -4.752 -13.256
73 HD2 TYR 13 HD2 TYR 13 -6.374 -2.802 -9.475
74 HE1 TYR 13 HE1 TYR 13 -8.826 -4.125 -13.530
75 HE2 TYR 13 HE2 TYR 13 -8.737 -2.171 -9.739
76 HH TYR 13 HH TYR 13 -10.572 -2.383 -10.980
77 H GLU 14 H GLU 14 -2.402 -5.110 -14.259
78 HA GLU 14 HA GLU 14 -0.178 -5.462 -12.428
79 HB2 GLU 14 1HB GLU 14 -0.428 -5.700 -15.425
80 HB3 GLU 14 2HB GLU 14 1.101 -5.879 -14.577
81 HG2 GLU 14 1HG GLU 14 0.433 -8.059 -14.787
82 HG3 GLU 14 2HG GLU 14 -0.183 -7.657 -13.185
83 H CYS 15 H CYS 15 1.755 -4.238 -12.512
84 HA CYS 15 HA CYS 15 1.316 -1.467 -13.381
85 HB2 CYS 15 1HB CYS 15 1.812 -1.395 -11.109
86 HB3 CYS 15 2HB CYS 15 2.966 -2.720 -11.215
87 H ILE 16 H ILE 16 3.165 -0.281 -14.251
88 HA ILE 16 HA ILE 16 4.852 -2.027 -15.917
89 HB ILE 16 HB ILE 16 4.060 0.844 -16.422
90 HG12 ILE 16 1HG1 ILE 16 2.931 -0.455 -18.446
91 HG13 ILE 16 2HG1 ILE 16 2.927 -1.779 -17.286
92 HG21 ILE 16 1HG2 ILE 16 6.155 -0.773 -17.488
93 HG22 ILE 16 2HG2 ILE 16 4.974 -0.450 -18.757
94 HG23 ILE 16 3HG2 ILE 16 5.723 0.890 -17.889
95 HD11 ILE 16 3HD1 ILE 16 1.781 0.924 -16.665
96 HD12 ILE 16 1HD1 ILE 16 0.840 -0.376 -17.398
97 HD13 ILE 16 2HD1 ILE 16 1.545 -0.592 -15.795
98 H GLU 17 H GLU 17 4.841 0.704 -13.724
99 HA GLU 17 HA GLU 17 7.356 1.750 -14.029
100 HB2 GLU 17 1HB GLU 17 5.701 1.295 -11.557
101 HB3 GLU 17 2HB GLU 17 7.264 2.097 -11.482
102 HG2 GLU 17 1HG GLU 17 4.864 3.002 -13.056
103 HG3 GLU 17 2HG GLU 17 5.482 3.723 -11.571
104 H CYS 18 H CYS 18 6.448 -1.107 -12.125
105 HA CYS 18 HA CYS 18 9.279 -1.920 -12.167
106 HB2 CYS 18 1HB CYS 18 8.953 -2.943 -9.942
107 HB3 CYS 18 2HB CYS 18 8.717 -1.198 -9.909
108 H GLY 19 H GLY 19 5.917 -3.026 -11.848
109 HA2 GLY 19 1HA GLY 19 5.200 -4.747 -13.459
110 HA3 GLY 19 2HA GLY 19 6.741 -5.539 -13.168
111 H LYS 20 H LYS 20 3.949 -4.356 -11.291
112 HA LYS 20 HA LYS 20 4.095 -6.845 -9.719
113 HB2 LYS 20 1HB LYS 20 3.611 -4.019 -8.928
114 HB3 LYS 20 2HB LYS 20 2.710 -5.261 -8.070
115 HG2 LYS 20 1HG LYS 20 4.838 -6.372 -7.507
116 HG3 LYS 20 2HG LYS 20 5.705 -5.053 -8.296
117 HD2 LYS 20 1HD LYS 20 4.779 -3.462 -6.717
118 HD3 LYS 20 2HD LYS 20 3.813 -4.734 -5.966
119 HE2 LYS 20 1HE LYS 20 5.777 -4.293 -4.625
120 HE3 LYS 20 2HE LYS 20 5.889 -5.902 -5.337
121 HZ1 LYS 20 3HZ LYS 20 7.071 -3.873 -6.979
122 HZ2 LYS 20 1HZ LYS 20 7.717 -5.343 -6.448
123 HZ3 LYS 20 2HZ LYS 20 7.800 -3.976 -5.456
124 H ALA 21 H ALA 21 1.777 -6.975 -8.477
125 HA ALA 21 HA ALA 21 -0.376 -6.512 -10.401
126 HB1 ALA 21 3HB ALA 21 0.251 -9.230 -9.254
127 HB2 ALA 21 1HB ALA 21 -1.167 -8.824 -10.221
128 HB3 ALA 21 2HB ALA 21 0.443 -8.739 -10.937
129 H PHE 22 H PHE 22 -2.303 -6.062 -9.470
130 HA PHE 22 HA PHE 22 -2.638 -6.599 -6.606
131 HB2 PHE 22 1HB PHE 22 -3.290 -3.933 -7.872
132 HB3 PHE 22 2HB PHE 22 -3.414 -4.357 -6.168
133 HD1 PHE 22 HD2 PHE 22 -1.038 -3.783 -8.937
134 HD2 PHE 22 HD1 PHE 22 -1.557 -4.191 -4.732
135 HE1 PHE 22 HE2 PHE 22 1.264 -2.993 -8.579
136 HE2 PHE 22 HE1 PHE 22 0.744 -3.400 -4.368
137 HZ PHE 22 HZ PHE 22 2.159 -2.801 -6.293
138 H LYS 23 H LYS 23 -4.942 -6.170 -5.908
139 HA LYS 23 HA LYS 23 -6.727 -7.299 -7.929
140 HB2 LYS 23 1HB LYS 23 -6.846 -7.098 -4.929
141 HB3 LYS 23 2HB LYS 23 -8.270 -7.517 -5.873
142 HG2 LYS 23 1HG LYS 23 -7.022 -9.428 -6.828
143 HG3 LYS 23 2HG LYS 23 -5.670 -9.032 -5.764
144 HD2 LYS 23 1HD LYS 23 -6.861 -10.730 -4.651
145 HD3 LYS 23 2HD LYS 23 -7.325 -9.231 -3.842
146 HE2 LYS 23 1HE LYS 23 -9.324 -10.451 -4.160
147 HE3 LYS 23 2HE LYS 23 -9.332 -9.176 -5.378
148 HZ1 LYS 23 3HZ LYS 23 -8.083 -11.548 -6.344
149 HZ2 LYS 23 1HZ LYS 23 -9.375 -10.672 -6.997
150 HZ3 LYS 23 2HZ LYS 23 -9.663 -11.857 -5.825
151 H THR 24 H THR 24 -6.439 -4.529 -5.763
152 HA THR 24 HA THR 24 -8.805 -3.323 -7.025
153 HB THR 24 HB THR 24 -8.675 -1.665 -5.136
154 HG1 THR 24 HG1 THR 24 -6.834 -1.750 -4.085
155 HG21 THR 24 3HG2 THR 24 -8.964 -4.557 -4.312
156 HG22 THR 24 1HG2 THR 24 -10.212 -3.595 -5.103
157 HG23 THR 24 2HG2 THR 24 -9.656 -3.160 -3.487
158 H LYS 25 H LYS 25 -8.705 -1.342 -8.024
159 HA LYS 25 HA LYS 25 -6.257 -0.604 -9.224
160 HB2 LYS 25 1HB LYS 25 -8.784 -0.180 -9.911
161 HB3 LYS 25 2HB LYS 25 -8.514 1.342 -9.071
162 HG2 LYS 25 1HG LYS 25 -6.369 1.421 -10.589
163 HG3 LYS 25 2HG LYS 25 -7.320 0.327 -11.597
164 HD2 LYS 25 1HD LYS 25 -9.180 2.007 -11.501
165 HD3 LYS 25 2HD LYS 25 -8.057 3.112 -10.705
166 HE2 LYS 25 1HE LYS 25 -8.084 3.640 -13.036
167 HE3 LYS 25 2HE LYS 25 -6.541 2.868 -12.672
168 HZ1 LYS 25 3HZ LYS 25 -7.199 1.803 -14.587
169 HZ2 LYS 25 1HZ LYS 25 -8.838 1.799 -14.169
170 HZ3 LYS 25 2HZ LYS 25 -7.768 0.736 -13.404
171 H SER 26 H SER 26 -8.256 1.125 -6.828
172 HA SER 26 HA SER 26 -6.818 3.335 -6.320
173 HB2 SER 26 1HB SER 26 -7.824 1.570 -4.080
174 HB3 SER 26 2HB SER 26 -7.645 3.325 -4.062
175 HG SER 26 HG SER 26 -9.528 1.753 -5.459
176 H SER 27 H SER 27 -5.977 0.083 -5.239
177 HA SER 27 HA SER 27 -3.741 0.868 -3.670
178 HB2 SER 27 1HB SER 27 -4.755 -1.728 -4.768
179 HB3 SER 27 2HB SER 27 -3.124 -1.654 -4.102
180 HG SER 27 HG SER 27 -3.966 -1.042 -2.141
181 H LEU 28 H LEU 28 -3.931 -0.699 -6.869
182 HA LEU 28 HA LEU 28 -1.239 -0.667 -7.495
183 HB2 LEU 28 1HB LEU 28 -2.459 -1.870 -9.003
184 HB3 LEU 28 2HB LEU 28 -3.753 -0.675 -9.073
185 HG LEU 28 HG LEU 28 -2.130 0.774 -10.396
186 HD11 LEU 28 1HD1 LEU 28 -0.701 -1.856 -10.738
187 HD12 LEU 28 2HD1 LEU 28 -0.109 -0.513 -9.761
188 HD13 LEU 28 3HD1 LEU 28 -0.302 -0.318 -11.503
189 HD21 LEU 28 3HD2 LEU 28 -2.741 -0.248 -12.458
190 HD22 LEU 28 1HD2 LEU 28 -4.058 -0.534 -11.320
191 HD23 LEU 28 2HD2 LEU 28 -2.919 -1.828 -11.692
192 H ILE 29 H ILE 29 -3.677 1.821 -8.221
193 HA ILE 29 HA ILE 29 -2.136 3.627 -9.604
194 HB ILE 29 HB ILE 29 -4.228 4.314 -7.536
195 HG12 ILE 29 1HG1 ILE 29 -4.707 4.163 -10.493
196 HG13 ILE 29 2HG1 ILE 29 -4.761 2.696 -9.522
197 HG21 ILE 29 1HG2 ILE 29 -3.406 5.928 -9.937
198 HG22 ILE 29 2HG2 ILE 29 -4.444 6.417 -8.599
199 HG23 ILE 29 3HG2 ILE 29 -2.718 6.172 -8.331
200 HD11 ILE 29 3HD1 ILE 29 -6.877 3.161 -9.089
201 HD12 ILE 29 1HD1 ILE 29 -6.326 4.544 -8.145
202 HD13 ILE 29 2HD1 ILE 29 -6.739 4.747 -9.848
203 H CYS 30 H CYS 30 -2.728 3.770 -6.085
204 HA CYS 30 HA CYS 30 -0.962 5.788 -5.459
205 HB2 CYS 30 1HB CYS 30 -2.630 4.529 -3.948
206 HB3 CYS 30 2HB CYS 30 -1.315 3.396 -3.667
207 HG CYS 30 HG CYS 30 -1.412 6.701 -2.811
208 H HIS 31 H HIS 31 -0.296 2.439 -6.174
209 HA HIS 31 HA HIS 31 2.466 2.627 -5.312
210 HB2 HIS 31 1HB HIS 31 1.744 0.476 -4.936
211 HB3 HIS 31 2HB HIS 31 0.695 0.465 -6.350
212 HD1 HIS 31 HD1 HIS 31 4.333 0.096 -5.407
213 HD2 HIS 31 HD2 HIS 31 1.791 -0.649 -8.607
214 HE1 HIS 31 HE1 HIS 31 5.692 -1.239 -7.048
215 H ARG 32 H ARG 32 0.631 3.121 -8.170
216 HA ARG 32 HA ARG 32 2.759 2.683 -10.037
217 HB2 ARG 32 1HB ARG 32 -0.007 3.803 -10.173
218 HB3 ARG 32 2HB ARG 32 1.104 4.141 -11.494
219 HG2 ARG 32 1HG ARG 32 1.470 1.521 -11.364
220 HG3 ARG 32 2HG ARG 32 -0.154 1.587 -10.675
221 HD2 ARG 32 1HD ARG 32 0.419 3.100 -13.178
222 HD3 ARG 32 2HD ARG 32 0.213 1.352 -13.268
223 HE ARG 32 HE ARG 32 -1.952 2.108 -11.873
224 HH11 ARG 32 1HH1 ARG 32 -0.560 3.274 -14.843
225 HH12 ARG 32 2HH1 ARG 32 -2.080 3.769 -15.514
226 HH21 ARG 32 1HH2 ARG 32 -3.959 2.755 -12.745
227 HH22 ARG 32 2HH2 ARG 32 -4.012 3.474 -14.319
228 H ARG 33 H ARG 33 1.128 5.622 -8.842
229 HA ARG 33 HA ARG 33 2.912 7.425 -10.084
230 HB2 ARG 33 1HB ARG 33 1.765 9.119 -8.969
231 HB3 ARG 33 2HB ARG 33 0.557 7.847 -9.100
232 HG2 ARG 33 1HG ARG 33 1.120 7.153 -6.783
233 HG3 ARG 33 2HG ARG 33 2.190 8.552 -6.673
234 HD2 ARG 33 1HD ARG 33 -0.627 8.980 -7.533
235 HD3 ARG 33 2HD ARG 33 -0.311 8.651 -5.830
236 HE ARG 33 HE ARG 33 0.310 11.055 -7.276
237 HH11 ARG 33 1HH1 ARG 33 1.121 9.077 -4.528
238 HH12 ARG 33 2HH1 ARG 33 1.809 10.385 -3.624
239 HH21 ARG 33 1HH2 ARG 33 1.213 12.786 -6.096
240 HH22 ARG 33 2HH2 ARG 33 1.860 12.495 -4.517
241 H SER 34 H SER 34 2.813 6.004 -6.848
242 HA SER 34 HA SER 34 4.641 7.395 -5.442
243 HB2 SER 34 1HB SER 34 4.178 4.433 -5.632
244 HB3 SER 34 2HB SER 34 5.446 5.065 -4.582
245 HG SER 34 HG SER 34 3.520 4.872 -3.427
246 H HIS 35 H HIS 35 5.486 4.821 -7.755
247 HA HIS 35 HA HIS 35 8.160 4.690 -7.625
248 HB2 HIS 35 1HB HIS 35 6.508 4.921 -10.146
249 HB3 HIS 35 2HB HIS 35 8.194 4.415 -10.121
250 HD1 HIS 35 HD1 HIS 35 8.694 2.115 -8.882
251 HD2 HIS 35 HD2 HIS 35 4.684 2.952 -9.572
252 HE1 HIS 35 HE1 HIS 35 7.489 -0.070 -8.574
253 H THR 36 H THR 36 6.467 7.189 -9.523
254 HA THR 36 HA THR 36 8.931 8.679 -9.856
255 HB THR 36 HB THR 36 7.527 10.283 -11.132
256 HG1 THR 36 HG1 THR 36 5.427 10.187 -10.934
257 HG21 THR 36 3HG2 THR 36 7.228 7.380 -11.911
258 HG22 THR 36 1HG2 THR 36 8.578 8.441 -12.313
259 HG23 THR 36 2HG2 THR 36 6.981 8.751 -12.993
260 H GLY 37 H GLY 37 9.593 9.651 -8.015
261 HA2 GLY 37 1HA GLY 37 7.680 11.508 -6.746
262 HA3 GLY 37 2HA GLY 37 8.740 10.494 -5.779
263 H GLU 38 H GLU 38 11.149 10.689 -6.886
264 HA GLU 38 HA GLU 38 12.227 13.024 -5.960
265 HB2 GLU 38 1HB GLU 38 13.138 11.020 -7.976
266 HB3 GLU 38 2HB GLU 38 14.059 12.508 -7.802
267 HG2 GLU 38 1HG GLU 38 13.404 10.680 -5.508
268 HG3 GLU 38 2HG GLU 38 14.887 10.575 -6.455
269 H LYS 39 H LYS 39 11.245 14.918 -6.500
270 HA LYS 39 HA LYS 39 10.410 15.637 -9.096
271 HB2 LYS 39 1HB LYS 39 9.802 17.665 -8.185
272 HB3 LYS 39 2HB LYS 39 9.837 16.655 -6.746
273 HG2 LYS 39 1HG LYS 39 11.993 17.509 -6.129
274 HG3 LYS 39 2HG LYS 39 12.115 18.405 -7.645
275 HD2 LYS 39 1HD LYS 39 9.769 18.916 -5.886
276 HD3 LYS 39 2HD LYS 39 11.335 19.573 -5.405
277 HE2 LYS 39 1HE LYS 39 11.501 20.558 -7.718
278 HE3 LYS 39 2HE LYS 39 9.819 20.087 -7.956
279 HZ1 LYS 39 3HZ LYS 39 10.251 21.540 -5.519
280 HZ2 LYS 39 1HZ LYS 39 9.107 21.794 -6.740
281 HZ3 LYS 39 2HZ LYS 39 10.666 22.433 -6.894
282 HA PRO 40 HA PRO 40 14.187 16.756 -11.060
283 HB2 PRO 40 1HB PRO 40 13.215 18.479 -12.919
284 HB3 PRO 40 2HB PRO 40 12.999 16.728 -13.027
285 HG2 PRO 40 1HG PRO 40 11.088 18.816 -12.053
286 HG3 PRO 40 2HG PRO 40 10.779 17.416 -13.096
287 HD2 PRO 40 1HD PRO 40 10.189 17.422 -10.453
288 HD3 PRO 40 2HD PRO 40 10.686 15.953 -11.317
289 H SER 41 H SER 41 15.260 17.890 -9.415
290 HA SER 41 HA SER 41 15.707 20.632 -9.891
291 HB2 SER 41 1HB SER 41 13.492 20.828 -8.771
292 HB3 SER 41 2HB SER 41 14.176 20.048 -7.345
293 HG SER 41 HG SER 41 14.607 22.054 -6.830
294 H GLY 42 H GLY 42 17.845 20.526 -9.642
295 HA2 GLY 42 1HA GLY 42 18.911 19.109 -7.285
296 HA3 GLY 42 2HA GLY 42 19.796 19.382 -8.779
297 HA PRO 43 HA PRO 43 21.686 22.923 -7.025
298 HB2 PRO 43 1HB PRO 43 22.033 24.484 -9.218
299 HB3 PRO 43 2HB PRO 43 22.984 23.025 -8.918
300 HG2 PRO 43 1HG PRO 43 20.600 23.401 -10.689
301 HG3 PRO 43 2HG PRO 43 22.100 22.511 -11.007
302 HD2 PRO 43 1HD PRO 43 19.802 21.280 -10.272
303 HD3 PRO 43 2HD PRO 43 21.403 20.664 -9.815
304 H SER 44 H SER 44 20.879 24.551 -5.870
305 HA SER 44 HA SER 44 18.267 25.577 -6.338
306 HB2 SER 44 1HB SER 44 19.482 25.331 -4.089
307 HB3 SER 44 2HB SER 44 20.309 26.832 -4.507
308 HG SER 44 HG SER 44 17.942 27.511 -4.921
309 H SER 45 H SER 45 18.113 26.638 -8.271
310 HA SER 45 HA SER 45 19.999 28.462 -9.289
311 HB2 SER 45 1HB SER 45 18.425 27.507 -10.809
312 HB3 SER 45 2HB SER 45 17.056 28.076 -9.854
313 HG SER 45 HG SER 45 18.717 29.477 -11.608
314 H GLY 46 H GLY 46 19.871 30.760 -9.478
315 HA2 GLY 46 1HA GLY 46 18.972 32.006 -7.022
316 HA3 GLY 46 2HA GLY 46 19.906 32.768 -8.301
Start of MODEL 17
1 H1 GLY 1 H GLY 1 12.936 -16.793 -29.302
2 HA2 GLY 1 1HA GLY 1 10.870 -17.191 -27.766
3 HA3 GLY 1 2HA GLY 1 12.245 -16.332 -27.088
4 H SER 2 H SER 2 9.676 -15.369 -29.360
5 HA SER 2 HA SER 2 9.387 -12.769 -28.735
6 HB2 SER 2 1HB SER 2 7.976 -13.646 -30.425
7 HB3 SER 2 2HB SER 2 7.245 -14.812 -29.322
8 HG SER 2 HG SER 2 5.874 -13.343 -28.713
9 H SER 3 H SER 3 8.938 -11.582 -27.003
10 HA SER 3 HA SER 3 8.728 -12.529 -24.442
11 HB2 SER 3 1HB SER 3 7.694 -9.951 -25.631
12 HB3 SER 3 2HB SER 3 7.682 -10.277 -23.898
13 HG SER 3 HG SER 3 9.907 -10.045 -25.628
14 H GLY 4 H GLY 4 7.196 -13.445 -23.227
15 HA2 GLY 4 1HA GLY 4 4.673 -13.110 -22.741
16 HA3 GLY 4 2HA GLY 4 4.508 -13.696 -24.390
17 H SER 5 H SER 5 3.799 -14.737 -21.584
18 HA SER 5 HA SER 5 4.899 -17.438 -22.002
19 HB2 SER 5 1HB SER 5 4.968 -17.788 -19.611
20 HB3 SER 5 2HB SER 5 5.852 -16.308 -19.982
21 HG SER 5 HG SER 5 4.494 -15.261 -18.783
22 H SER 6 H SER 6 3.502 -19.099 -20.741
23 HA SER 6 HA SER 6 0.968 -19.169 -21.910
24 HB2 SER 6 1HB SER 6 2.121 -21.195 -21.170
25 HB3 SER 6 2HB SER 6 1.983 -20.680 -19.489
26 HG SER 6 HG SER 6 -0.408 -20.619 -20.090
27 H GLY 7 H GLY 7 -0.899 -18.230 -21.410
28 HA2 GLY 7 1HA GLY 7 -2.635 -17.544 -19.975
29 HA3 GLY 7 2HA GLY 7 -1.504 -17.575 -18.630
30 H THR 8 H THR 8 -3.433 -15.519 -19.857
31 HA THR 8 HA THR 8 -1.595 -13.341 -20.466
32 HB THR 8 HB THR 8 -3.714 -12.009 -20.778
33 HG1 THR 8 HG1 THR 8 -5.064 -14.494 -20.766
34 HG21 THR 8 3HG2 THR 8 -2.426 -13.509 -22.532
35 HG22 THR 8 1HG2 THR 8 -3.947 -12.721 -22.947
36 HG23 THR 8 2HG2 THR 8 -3.930 -14.428 -22.504
37 H GLY 9 H GLY 9 -0.594 -12.998 -18.463
38 HA2 GLY 9 1HA GLY 9 -0.339 -12.033 -16.396
39 HA3 GLY 9 2HA GLY 9 -1.779 -11.103 -16.785
40 H GLN 10 H GLN 10 -1.614 -11.565 -14.248
41 HA GLN 10 HA GLN 10 -3.288 -13.931 -13.721
42 HB2 GLN 10 1HB GLN 10 -1.291 -12.538 -11.936
43 HB3 GLN 10 2HB GLN 10 -2.418 -13.761 -11.365
44 HG2 GLN 10 1HG GLN 10 -1.419 -15.425 -12.765
45 HG3 GLN 10 2HG GLN 10 -0.394 -14.219 -13.541
46 HE21 GLN 10 1HE2 GLN 10 0.878 -12.889 -11.814
47 HE22 GLN 10 2HE2 GLN 10 1.710 -13.847 -10.642
48 H ARG 11 H ARG 11 -2.651 -10.590 -12.688
49 HA ARG 11 HA ARG 11 -5.417 -10.444 -11.693
50 HB2 ARG 11 1HB ARG 11 -3.020 -8.725 -11.028
51 HB3 ARG 11 2HB ARG 11 -4.644 -8.469 -10.404
52 HG2 ARG 11 1HG ARG 11 -3.158 -11.042 -9.985
53 HG3 ARG 11 2HG ARG 11 -2.998 -9.666 -8.893
54 HD2 ARG 11 1HD ARG 11 -5.582 -9.729 -8.818
55 HD3 ARG 11 2HD ARG 11 -5.400 -11.362 -9.458
56 HE ARG 11 HE ARG 11 -3.723 -11.234 -7.286
57 HH11 ARG 11 1HH1 ARG 11 -7.127 -10.793 -7.864
58 HH12 ARG 11 2HH1 ARG 11 -7.597 -11.323 -6.282
59 HH21 ARG 11 1HH2 ARG 11 -4.328 -11.934 -5.201
60 HH22 ARG 11 2HH2 ARG 11 -6.004 -11.971 -4.769
61 HA PRO 12 HA PRO 12 -6.522 -7.682 -14.927
62 HB2 PRO 12 1HB PRO 12 -8.482 -6.267 -13.692
63 HB3 PRO 12 2HB PRO 12 -8.692 -7.941 -14.219
64 HG2 PRO 12 1HG PRO 12 -8.067 -6.878 -11.491
65 HG3 PRO 12 2HG PRO 12 -9.198 -8.161 -11.960
66 HD2 PRO 12 1HD PRO 12 -6.737 -8.683 -10.959
67 HD3 PRO 12 2HD PRO 12 -7.528 -9.738 -12.147
68 H TYR 13 H TYR 13 -4.980 -6.684 -12.119
69 HA TYR 13 HA TYR 13 -4.525 -4.017 -13.263
70 HB2 TYR 13 1HB TYR 13 -4.847 -4.507 -10.300
71 HB3 TYR 13 2HB TYR 13 -4.684 -2.957 -11.117
72 HD1 TYR 13 HD2 TYR 13 -6.562 -2.505 -12.951
73 HD2 TYR 13 HD1 TYR 13 -6.961 -5.175 -9.662
74 HE1 TYR 13 HE2 TYR 13 -9.009 -2.329 -13.112
75 HE2 TYR 13 HE1 TYR 13 -9.410 -5.007 -9.815
76 HH TYR 13 HH TYR 13 -10.963 -3.068 -12.351
77 H GLU 14 H GLU 14 -2.468 -4.183 -13.913
78 HA GLU 14 HA GLU 14 -0.486 -5.104 -11.937
79 HB2 GLU 14 1HB GLU 14 -0.486 -5.544 -14.926
80 HB3 GLU 14 2HB GLU 14 0.895 -5.865 -13.887
81 HG2 GLU 14 1HG GLU 14 -0.056 -7.712 -12.949
82 HG3 GLU 14 2HG GLU 14 -1.701 -7.128 -13.197
83 H CYS 15 H CYS 15 1.649 -4.147 -12.155
84 HA CYS 15 HA CYS 15 1.473 -1.378 -13.122
85 HB2 CYS 15 1HB CYS 15 1.997 -1.337 -10.833
86 HB3 CYS 15 2HB CYS 15 3.099 -2.704 -10.968
87 H ILE 16 H ILE 16 3.288 -0.432 -14.199
88 HA ILE 16 HA ILE 16 4.871 -2.412 -15.698
89 HB ILE 16 HB ILE 16 3.218 -0.792 -16.890
90 HG12 ILE 16 1HG1 ILE 16 5.199 -2.272 -17.796
91 HG13 ILE 16 2HG1 ILE 16 4.420 -1.089 -18.841
92 HG21 ILE 16 1HG2 ILE 16 5.596 1.026 -16.523
93 HG22 ILE 16 2HG2 ILE 16 4.172 1.353 -17.510
94 HG23 ILE 16 3HG2 ILE 16 4.021 1.232 -15.757
95 HD11 ILE 16 3HD1 ILE 16 6.875 -1.078 -19.008
96 HD12 ILE 16 1HD1 ILE 16 6.212 0.471 -18.486
97 HD13 ILE 16 2HD1 ILE 16 6.963 -0.608 -17.310
98 H GLU 17 H GLU 17 5.004 0.732 -14.082
99 HA GLU 17 HA GLU 17 7.490 1.640 -14.486
100 HB2 GLU 17 1HB GLU 17 6.127 1.351 -11.805
101 HB3 GLU 17 2HB GLU 17 7.555 2.340 -12.080
102 HG2 GLU 17 1HG GLU 17 4.904 2.717 -13.455
103 HG3 GLU 17 2HG GLU 17 5.468 3.639 -12.063
104 H CYS 18 H CYS 18 6.718 -1.002 -12.235
105 HA CYS 18 HA CYS 18 9.541 -1.832 -12.391
106 HB2 CYS 18 1HB CYS 18 9.405 -2.608 -10.080
107 HB3 CYS 18 2HB CYS 18 9.021 -0.892 -10.172
108 H GLY 19 H GLY 19 6.172 -2.813 -12.106
109 HA2 GLY 19 1HA GLY 19 5.390 -4.688 -13.413
110 HA3 GLY 19 2HA GLY 19 6.949 -5.456 -13.153
111 H LYS 20 H LYS 20 3.767 -5.006 -11.967
112 HA LYS 20 HA LYS 20 4.134 -7.126 -10.049
113 HB2 LYS 20 1HB LYS 20 3.573 -4.300 -9.184
114 HB3 LYS 20 2HB LYS 20 3.043 -5.671 -8.218
115 HG2 LYS 20 1HG LYS 20 5.467 -6.440 -8.268
116 HG3 LYS 20 2HG LYS 20 5.845 -4.829 -8.881
117 HD2 LYS 20 1HD LYS 20 5.039 -3.791 -6.910
118 HD3 LYS 20 2HD LYS 20 4.280 -5.282 -6.350
119 HE2 LYS 20 1HE LYS 20 7.242 -5.116 -6.788
120 HE3 LYS 20 2HE LYS 20 6.511 -4.555 -5.285
121 HZ1 LYS 20 3HZ LYS 20 7.170 -7.166 -5.997
122 HZ2 LYS 20 1HZ LYS 20 5.482 -7.092 -5.909
123 HZ3 LYS 20 2HZ LYS 20 6.419 -6.635 -4.578
124 H ALA 21 H ALA 21 1.905 -7.261 -8.721
125 HA ALA 21 HA ALA 21 -0.339 -6.655 -10.501
126 HB1 ALA 21 3HB ALA 21 -1.163 -9.052 -9.995
127 HB2 ALA 21 1HB ALA 21 0.054 -8.814 -11.249
128 HB3 ALA 21 2HB ALA 21 0.533 -9.389 -9.652
129 H PHE 22 H PHE 22 -2.029 -5.891 -9.410
130 HA PHE 22 HA PHE 22 -2.176 -6.432 -6.517
131 HB2 PHE 22 1HB PHE 22 -3.003 -3.940 -8.020
132 HB3 PHE 22 2HB PHE 22 -3.274 -4.214 -6.302
133 HD1 PHE 22 HD2 PHE 22 -0.536 -4.110 -8.822
134 HD2 PHE 22 HD1 PHE 22 -1.706 -3.487 -4.777
135 HE1 PHE 22 HE2 PHE 22 1.685 -3.175 -8.327
136 HE2 PHE 22 HE1 PHE 22 0.514 -2.549 -4.276
137 HZ PHE 22 HZ PHE 22 2.213 -2.394 -6.052
138 H LYS 23 H LYS 23 -4.369 -6.322 -5.592
139 HA LYS 23 HA LYS 23 -6.189 -7.880 -7.169
140 HB2 LYS 23 1HB LYS 23 -7.624 -7.796 -5.143
141 HB3 LYS 23 2HB LYS 23 -5.989 -8.354 -4.810
142 HG2 LYS 23 1HG LYS 23 -5.388 -6.245 -3.864
143 HG3 LYS 23 2HG LYS 23 -6.917 -5.525 -4.374
144 HD2 LYS 23 1HD LYS 23 -8.065 -7.246 -2.921
145 HD3 LYS 23 2HD LYS 23 -6.470 -7.635 -2.272
146 HE2 LYS 23 1HE LYS 23 -6.214 -5.488 -1.341
147 HE3 LYS 23 2HE LYS 23 -7.549 -4.831 -2.285
148 HZ1 LYS 23 3HZ LYS 23 -8.033 -6.991 -0.342
149 HZ2 LYS 23 1HZ LYS 23 -9.110 -5.828 -0.934
150 HZ3 LYS 23 2HZ LYS 23 -7.920 -5.387 0.184
151 H THR 24 H THR 24 -6.126 -4.577 -5.906
152 HA THR 24 HA THR 24 -8.479 -3.968 -7.575
153 HB THR 24 HB THR 24 -8.919 -2.065 -6.077
154 HG1 THR 24 HG1 THR 24 -6.554 -3.005 -4.869
155 HG21 THR 24 3HG2 THR 24 -9.423 -3.471 -3.982
156 HG22 THR 24 1HG2 THR 24 -8.759 -4.822 -4.898
157 HG23 THR 24 2HG2 THR 24 -10.172 -3.958 -5.502
158 H LYS 25 H LYS 25 -8.543 -1.746 -8.449
159 HA LYS 25 HA LYS 25 -6.014 -1.099 -9.675
160 HB2 LYS 25 1HB LYS 25 -8.024 -1.026 -11.029
161 HB3 LYS 25 2HB LYS 25 -8.757 0.143 -9.939
162 HG2 LYS 25 1HG LYS 25 -6.166 0.859 -11.195
163 HG3 LYS 25 2HG LYS 25 -7.612 0.863 -12.208
164 HD2 LYS 25 1HD LYS 25 -7.456 2.299 -9.566
165 HD3 LYS 25 2HD LYS 25 -7.026 3.059 -11.100
166 HE2 LYS 25 1HE LYS 25 -9.663 1.687 -10.828
167 HE3 LYS 25 2HE LYS 25 -9.447 3.290 -10.125
168 HZ1 LYS 25 3HZ LYS 25 -9.427 2.481 -12.945
169 HZ2 LYS 25 1HZ LYS 25 -8.496 3.814 -12.479
170 HZ3 LYS 25 2HZ LYS 25 -10.166 3.815 -12.214
171 H SER 26 H SER 26 -8.387 0.736 -7.743
172 HA SER 26 HA SER 26 -7.120 3.107 -7.423
173 HB2 SER 26 1HB SER 26 -9.318 2.463 -6.403
174 HB3 SER 26 2HB SER 26 -8.429 1.621 -5.134
175 HG SER 26 HG SER 26 -7.978 3.470 -4.229
176 H SER 27 H SER 27 -6.683 0.400 -5.137
177 HA SER 27 HA SER 27 -4.656 1.447 -3.612
178 HB2 SER 27 1HB SER 27 -5.297 -1.378 -4.418
179 HB3 SER 27 2HB SER 27 -3.908 -1.029 -3.389
180 HG SER 27 HG SER 27 -6.637 -0.458 -2.874
181 H LEU 28 H LEU 28 -4.402 -0.195 -6.728
182 HA LEU 28 HA LEU 28 -1.572 -0.283 -6.808
183 HB2 LEU 28 1HB LEU 28 -2.545 -1.749 -8.286
184 HB3 LEU 28 2HB LEU 28 -3.770 -0.589 -8.794
185 HG LEU 28 HG LEU 28 -1.887 0.644 -9.982
186 HD11 LEU 28 1HD1 LEU 28 -0.243 -1.577 -10.490
187 HD12 LEU 28 2HD1 LEU 28 -0.386 -1.450 -8.737
188 HD13 LEU 28 3HD1 LEU 28 0.187 -0.072 -9.677
189 HD21 LEU 28 3HD2 LEU 28 -2.136 -2.033 -11.217
190 HD22 LEU 28 1HD2 LEU 28 -2.424 -0.434 -11.902
191 HD23 LEU 28 2HD2 LEU 28 -3.635 -1.175 -10.856
192 H ILE 29 H ILE 29 -3.916 2.168 -7.584
193 HA ILE 29 HA ILE 29 -2.506 3.819 -9.292
194 HB ILE 29 HB ILE 29 -4.302 4.703 -7.029
195 HG12 ILE 29 1HG1 ILE 29 -5.418 3.093 -8.486
196 HG13 ILE 29 2HG1 ILE 29 -6.078 4.705 -8.745
197 HG21 ILE 29 1HG2 ILE 29 -3.714 6.756 -7.659
198 HG22 ILE 29 2HG2 ILE 29 -2.845 6.151 -9.069
199 HG23 ILE 29 3HG2 ILE 29 -4.581 6.446 -9.163
200 HD11 ILE 29 3HD1 ILE 29 -5.665 4.518 -10.903
201 HD12 ILE 29 1HD1 ILE 29 -3.943 4.342 -10.566
202 HD13 ILE 29 2HD1 ILE 29 -4.978 2.915 -10.639
203 H CYS 30 H CYS 30 -2.425 3.769 -5.739
204 HA CYS 30 HA CYS 30 -0.587 5.885 -5.444
205 HB2 CYS 30 1HB CYS 30 -1.632 3.709 -3.705
206 HB3 CYS 30 2HB CYS 30 -0.143 4.498 -3.199
207 HG CYS 30 HG CYS 30 -3.218 5.926 -3.602
208 H HIS 31 H HIS 31 -0.193 2.522 -6.197
209 HA HIS 31 HA HIS 31 2.624 2.459 -5.581
210 HB2 HIS 31 1HB HIS 31 1.511 0.384 -5.329
211 HB3 HIS 31 2HB HIS 31 0.736 0.518 -6.905
212 HD1 HIS 31 HD1 HIS 31 4.206 0.037 -5.442
213 HD2 HIS 31 HD2 HIS 31 2.061 -0.749 -8.912
214 HE1 HIS 31 HE1 HIS 31 5.732 -1.357 -6.875
215 H ARG 32 H ARG 32 0.712 3.513 -8.179
216 HA ARG 32 HA ARG 32 2.715 3.072 -10.221
217 HB2 ARG 32 1HB ARG 32 0.052 4.491 -10.223
218 HB3 ARG 32 2HB ARG 32 1.112 4.445 -11.626
219 HG2 ARG 32 1HG ARG 32 0.962 2.024 -11.691
220 HG3 ARG 32 2HG ARG 32 -0.046 2.034 -10.243
221 HD2 ARG 32 1HD ARG 32 -1.681 1.928 -11.826
222 HD3 ARG 32 2HD ARG 32 -1.506 3.679 -11.715
223 HE ARG 32 HE ARG 32 0.263 2.811 -13.667
224 HH11 ARG 32 1HH1 ARG 32 -3.176 2.846 -13.123
225 HH12 ARG 32 2HH1 ARG 32 -3.573 2.925 -14.808
226 HH21 ARG 32 1HH2 ARG 32 -0.247 2.916 -15.888
227 HH22 ARG 32 2HH2 ARG 32 -1.907 2.965 -16.380
228 H ARG 33 H ARG 33 1.360 5.821 -8.437
229 HA ARG 33 HA ARG 33 3.120 7.714 -9.696
230 HB2 ARG 33 1HB ARG 33 1.943 9.341 -8.583
231 HB3 ARG 33 2HB ARG 33 0.745 8.054 -8.596
232 HG2 ARG 33 1HG ARG 33 1.515 7.411 -6.314
233 HG3 ARG 33 2HG ARG 33 2.540 8.848 -6.317
234 HD2 ARG 33 1HD ARG 33 -0.370 9.111 -6.931
235 HD3 ARG 33 2HD ARG 33 0.150 8.923 -5.257
236 HE ARG 33 HE ARG 33 1.056 11.043 -5.319
237 HH11 ARG 33 1HH1 ARG 33 0.103 10.053 -8.518
238 HH12 ARG 33 2HH1 ARG 33 0.297 11.631 -9.206
239 HH21 ARG 33 1HH2 ARG 33 1.315 13.126 -6.213
240 HH22 ARG 33 2HH2 ARG 33 0.987 13.378 -7.894
241 H SER 34 H SER 34 3.180 5.709 -6.870
242 HA SER 34 HA SER 34 5.071 7.108 -5.332
243 HB2 SER 34 1HB SER 34 4.261 4.212 -5.474
244 HB3 SER 34 2HB SER 34 5.559 4.742 -4.404
245 HG SER 34 HG SER 34 3.648 4.806 -3.260
246 H HIS 35 H HIS 35 5.399 5.555 -8.306
247 HA HIS 35 HA HIS 35 8.161 4.774 -7.993
248 HB2 HIS 35 1HB HIS 35 6.265 4.836 -10.334
249 HB3 HIS 35 2HB HIS 35 7.971 4.446 -10.530
250 HD1 HIS 35 HD1 HIS 35 8.752 2.371 -8.836
251 HD2 HIS 35 HD2 HIS 35 4.744 2.651 -9.892
252 HE1 HIS 35 HE1 HIS 35 7.780 0.094 -8.395
253 H THR 36 H THR 36 7.818 7.443 -7.313
254 HA THR 36 HA THR 36 9.619 8.693 -9.214
255 HB THR 36 HB THR 36 8.265 10.789 -9.313
256 HG1 THR 36 HG1 THR 36 6.872 10.426 -7.560
257 HG21 THR 36 3HG2 THR 36 8.271 8.957 -11.090
258 HG22 THR 36 1HG2 THR 36 6.926 10.097 -11.126
259 HG23 THR 36 2HG2 THR 36 6.698 8.485 -10.447
260 H GLY 37 H GLY 37 11.034 10.056 -8.247
261 HA2 GLY 37 1HA GLY 37 11.032 11.824 -6.346
262 HA3 GLY 37 2HA GLY 37 10.721 10.412 -5.347
263 H GLU 38 H GLU 38 12.482 9.767 -4.319
264 HA GLU 38 HA GLU 38 15.108 10.472 -5.238
265 HB2 GLU 38 1HB GLU 38 14.483 10.403 -2.832
266 HB3 GLU 38 2HB GLU 38 14.314 8.657 -2.955
267 HG2 GLU 38 1HG GLU 38 16.428 9.066 -2.001
268 HG3 GLU 38 2HG GLU 38 16.717 8.575 -3.669
269 H LYS 39 H LYS 39 15.163 9.381 -7.271
270 HA LYS 39 HA LYS 39 16.344 6.790 -7.117
271 HB2 LYS 39 1HB LYS 39 13.499 7.054 -7.944
272 HB3 LYS 39 2HB LYS 39 14.512 5.962 -8.879
273 HG2 LYS 39 1HG LYS 39 15.172 5.027 -6.534
274 HG3 LYS 39 2HG LYS 39 13.660 5.786 -6.029
275 HD2 LYS 39 1HD LYS 39 13.008 3.624 -6.587
276 HD3 LYS 39 2HD LYS 39 12.628 4.544 -8.044
277 HE2 LYS 39 1HE LYS 39 13.703 2.678 -8.894
278 HE3 LYS 39 2HE LYS 39 15.008 3.859 -8.800
279 HZ1 LYS 39 3HZ LYS 39 15.566 1.606 -7.935
280 HZ2 LYS 39 1HZ LYS 39 14.461 1.859 -6.679
281 HZ3 LYS 39 2HZ LYS 39 15.818 2.857 -6.826
282 HA PRO 40 HA PRO 40 18.241 8.463 -10.729
283 HB2 PRO 40 1HB PRO 40 19.459 6.206 -11.618
284 HB3 PRO 40 2HB PRO 40 20.033 7.120 -10.219
285 HG2 PRO 40 1HG PRO 40 18.364 4.637 -10.304
286 HG3 PRO 40 2HG PRO 40 19.728 5.032 -9.242
287 HD2 PRO 40 1HD PRO 40 17.149 5.243 -8.442
288 HD3 PRO 40 2HD PRO 40 18.426 6.320 -7.841
289 H SER 41 H SER 41 16.322 8.904 -11.926
290 HA SER 41 HA SER 41 14.803 7.004 -13.308
291 HB2 SER 41 1HB SER 41 13.959 8.875 -14.628
292 HB3 SER 41 2HB SER 41 14.095 9.351 -12.936
293 HG SER 41 HG SER 41 15.328 10.381 -15.115
294 H GLY 42 H GLY 42 15.135 5.862 -15.110
295 HA2 GLY 42 1HA GLY 42 17.686 6.112 -16.465
296 HA3 GLY 42 2HA GLY 42 16.481 4.861 -16.728
297 HA PRO 43 HA PRO 43 16.412 7.573 -20.449
298 HB2 PRO 43 1HB PRO 43 16.096 5.525 -22.202
299 HB3 PRO 43 2HB PRO 43 17.677 6.049 -21.612
300 HG2 PRO 43 1HG PRO 43 15.983 3.754 -20.706
301 HG3 PRO 43 2HG PRO 43 17.733 3.810 -20.987
302 HD2 PRO 43 1HD PRO 43 16.650 3.970 -18.511
303 HD3 PRO 43 2HD PRO 43 18.156 4.802 -18.950
304 H SER 44 H SER 44 14.738 7.466 -22.304
305 HA SER 44 HA SER 44 12.246 6.179 -21.804
306 HB2 SER 44 1HB SER 44 12.026 7.856 -20.064
307 HB3 SER 44 2HB SER 44 12.446 9.138 -21.200
308 HG SER 44 HG SER 44 10.094 8.594 -20.680
309 H SER 45 H SER 45 11.351 5.870 -23.726
310 HA SER 45 HA SER 45 11.775 7.889 -25.827
311 HB2 SER 45 1HB SER 45 12.145 6.176 -27.473
312 HB3 SER 45 2HB SER 45 13.240 5.862 -26.126
313 HG SER 45 HG SER 45 10.719 4.607 -26.477
314 H GLY 46 H GLY 46 10.029 8.403 -27.047
315 HA2 GLY 46 1HA GLY 46 7.830 6.884 -27.678
316 HA3 GLY 46 2HA GLY 46 7.453 7.579 -26.109
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.649 -20.089 -3.502
2 HA2 GLY 1 1HA GLY 1 -2.652 -22.168 -3.465
3 HA3 GLY 1 2HA GLY 1 -1.566 -21.786 -4.792
4 H SER 2 H SER 2 -1.216 -24.034 -5.107
5 HA SER 2 HA SER 2 0.046 -25.552 -2.986
6 HB2 SER 2 1HB SER 2 -0.103 -27.433 -4.442
7 HB3 SER 2 2HB SER 2 -1.598 -26.525 -4.665
8 HG SER 2 HG SER 2 -1.058 -26.589 -6.695
9 H SER 3 H SER 3 2.143 -25.434 -2.589
10 HA SER 3 HA SER 3 4.342 -24.804 -2.840
11 HB2 SER 3 1HB SER 3 5.537 -26.253 -4.344
12 HB3 SER 3 2HB SER 3 4.180 -27.168 -3.688
13 HG SER 3 HG SER 3 3.048 -26.710 -5.629
14 H GLY 4 H GLY 4 2.668 -22.811 -3.859
15 HA2 GLY 4 1HA GLY 4 4.233 -21.040 -5.095
16 HA3 GLY 4 2HA GLY 4 3.729 -22.032 -6.455
17 H SER 5 H SER 5 2.816 -19.998 -7.249
18 HA SER 5 HA SER 5 0.472 -18.996 -5.857
19 HB2 SER 5 1HB SER 5 0.375 -17.373 -7.763
20 HB3 SER 5 2HB SER 5 1.902 -17.341 -6.882
21 HG SER 5 HG SER 5 2.775 -17.666 -8.759
22 H SER 6 H SER 6 -1.621 -19.240 -6.500
23 HA SER 6 HA SER 6 -2.096 -21.062 -8.768
24 HB2 SER 6 1HB SER 6 -3.966 -22.014 -7.570
25 HB3 SER 6 2HB SER 6 -2.551 -22.068 -6.519
26 HG SER 6 HG SER 6 -3.355 -20.130 -5.537
27 H GLY 7 H GLY 7 -4.521 -20.913 -9.456
28 HA2 GLY 7 1HA GLY 7 -6.430 -19.372 -9.608
29 HA3 GLY 7 2HA GLY 7 -5.267 -18.056 -9.566
30 H THR 8 H THR 8 -7.295 -19.610 -11.548
31 HA THR 8 HA THR 8 -5.599 -19.805 -13.886
32 HB THR 8 HB THR 8 -7.791 -20.277 -15.069
33 HG1 THR 8 HG1 THR 8 -8.898 -19.228 -13.058
34 HG21 THR 8 3HG2 THR 8 -6.171 -21.908 -13.584
35 HG22 THR 8 1HG2 THR 8 -7.478 -22.459 -14.631
36 HG23 THR 8 2HG2 THR 8 -7.761 -22.248 -12.903
37 H GLY 9 H GLY 9 -5.443 -17.252 -12.908
38 HA2 GLY 9 1HA GLY 9 -6.177 -15.713 -15.176
39 HA3 GLY 9 2HA GLY 9 -7.265 -15.372 -13.839
40 H GLN 10 H GLN 10 -5.643 -13.414 -14.952
41 HA GLN 10 HA GLN 10 -3.690 -12.960 -12.794
42 HB2 GLN 10 1HB GLN 10 -2.490 -11.492 -14.459
43 HB3 GLN 10 2HB GLN 10 -2.441 -13.216 -14.800
44 HG2 GLN 10 1HG GLN 10 -4.400 -12.826 -16.351
45 HG3 GLN 10 2HG GLN 10 -4.080 -11.103 -16.160
46 HE21 GLN 10 1HE2 GLN 10 -3.965 -11.959 -18.631
47 HE22 GLN 10 2HE2 GLN 10 -2.339 -12.120 -19.193
48 H ARG 11 H ARG 11 -4.062 -11.257 -11.538
49 HA ARG 11 HA ARG 11 -6.261 -9.766 -11.349
50 HB2 ARG 11 1HB ARG 11 -4.969 -8.007 -10.254
51 HB3 ARG 11 2HB ARG 11 -4.382 -9.595 -9.780
52 HG2 ARG 11 1HG ARG 11 -3.075 -8.143 -12.036
53 HG3 ARG 11 2HG ARG 11 -2.700 -7.710 -10.367
54 HD2 ARG 11 1HD ARG 11 -2.371 -10.405 -11.674
55 HD3 ARG 11 2HD ARG 11 -1.091 -9.322 -11.130
56 HE ARG 11 HE ARG 11 -2.445 -9.772 -8.860
57 HH11 ARG 11 1HH1 ARG 11 -1.235 -11.925 -11.314
58 HH12 ARG 11 2HH1 ARG 11 -0.981 -13.242 -10.217
59 HH21 ARG 11 1HH2 ARG 11 -2.116 -11.499 -7.407
60 HH22 ARG 11 2HH2 ARG 11 -1.483 -12.999 -7.995
61 HA PRO 12 HA PRO 12 -6.710 -7.299 -14.973
62 HB2 PRO 12 1HB PRO 12 -8.437 -5.448 -13.992
63 HB3 PRO 12 2HB PRO 12 -8.920 -7.104 -14.376
64 HG2 PRO 12 1HG PRO 12 -8.234 -5.898 -11.724
65 HG3 PRO 12 2HG PRO 12 -9.555 -7.005 -12.141
66 HD2 PRO 12 1HD PRO 12 -7.274 -7.845 -10.950
67 HD3 PRO 12 2HD PRO 12 -8.189 -8.860 -12.083
68 H TYR 13 H TYR 13 -5.091 -6.340 -12.214
69 HA TYR 13 HA TYR 13 -4.212 -3.854 -13.520
70 HB2 TYR 13 1HB TYR 13 -4.403 -4.120 -10.527
71 HB3 TYR 13 2HB TYR 13 -4.202 -2.657 -11.483
72 HD1 TYR 13 HD2 TYR 13 -6.211 -2.269 -13.229
73 HD2 TYR 13 HD1 TYR 13 -6.483 -4.494 -9.612
74 HE1 TYR 13 HE2 TYR 13 -8.643 -1.909 -13.197
75 HE2 TYR 13 HE1 TYR 13 -8.917 -4.141 -9.572
76 HH TYR 13 HH TYR 13 -10.505 -2.022 -11.875
77 H GLU 14 H GLU 14 -2.147 -4.034 -14.048
78 HA GLU 14 HA GLU 14 -0.287 -5.244 -12.136
79 HB2 GLU 14 1HB GLU 14 -0.522 -5.976 -15.055
80 HB3 GLU 14 2HB GLU 14 0.885 -6.358 -14.074
81 HG2 GLU 14 1HG GLU 14 -0.810 -7.503 -12.501
82 HG3 GLU 14 2HG GLU 14 -1.891 -7.447 -13.892
83 H CYS 15 H CYS 15 1.367 -3.932 -11.768
84 HA CYS 15 HA CYS 15 1.742 -1.552 -13.308
85 HB2 CYS 15 1HB CYS 15 2.117 -1.468 -10.926
86 HB3 CYS 15 2HB CYS 15 3.320 -2.750 -11.025
87 H ILE 16 H ILE 16 3.256 -1.076 -14.810
88 HA ILE 16 HA ILE 16 4.938 -3.296 -15.733
89 HB ILE 16 HB ILE 16 4.188 -0.750 -17.175
90 HG12 ILE 16 1HG1 ILE 16 2.269 -2.258 -16.823
91 HG13 ILE 16 2HG1 ILE 16 2.719 -2.168 -18.522
92 HG21 ILE 16 1HG2 ILE 16 4.986 -2.504 -19.083
93 HG22 ILE 16 2HG2 ILE 16 6.022 -1.273 -18.362
94 HG23 ILE 16 3HG2 ILE 16 6.068 -2.928 -17.757
95 HD11 ILE 16 3HD1 ILE 16 3.294 -4.403 -16.597
96 HD12 ILE 16 1HD1 ILE 16 2.221 -4.433 -17.997
97 HD13 ILE 16 2HD1 ILE 16 3.965 -4.302 -18.225
98 H GLU 17 H GLU 17 5.048 0.038 -14.649
99 HA GLU 17 HA GLU 17 7.525 0.902 -15.321
100 HB2 GLU 17 1HB GLU 17 5.891 1.225 -12.846
101 HB3 GLU 17 2HB GLU 17 7.548 1.812 -12.829
102 HG2 GLU 17 1HG GLU 17 6.022 3.592 -13.410
103 HG3 GLU 17 2HG GLU 17 7.074 3.213 -14.773
104 H CYS 18 H CYS 18 6.775 -1.334 -12.672
105 HA CYS 18 HA CYS 18 9.634 -2.046 -12.582
106 HB2 CYS 18 1HB CYS 18 9.288 -2.616 -10.185
107 HB3 CYS 18 2HB CYS 18 9.053 -0.906 -10.530
108 H GLY 19 H GLY 19 6.314 -3.205 -12.142
109 HA2 GLY 19 1HA GLY 19 5.808 -5.290 -13.405
110 HA3 GLY 19 2HA GLY 19 7.298 -5.930 -12.729
111 H LYS 20 H LYS 20 4.652 -4.100 -11.217
112 HA LYS 20 HA LYS 20 4.417 -6.266 -9.242
113 HB2 LYS 20 1HB LYS 20 4.942 -3.747 -8.664
114 HB3 LYS 20 2HB LYS 20 3.201 -3.564 -8.833
115 HG2 LYS 20 1HG LYS 20 2.748 -4.797 -6.969
116 HG3 LYS 20 2HG LYS 20 4.217 -5.765 -7.117
117 HD2 LYS 20 1HD LYS 20 5.552 -3.834 -6.409
118 HD3 LYS 20 2HD LYS 20 4.078 -2.875 -6.252
119 HE2 LYS 20 1HE LYS 20 3.292 -4.699 -4.635
120 HE3 LYS 20 2HE LYS 20 4.974 -5.228 -4.614
121 HZ1 LYS 20 3HZ LYS 20 3.887 -3.306 -3.026
122 HZ2 LYS 20 1HZ LYS 20 4.698 -2.407 -4.207
123 HZ3 LYS 20 2HZ LYS 20 5.540 -3.550 -3.289
124 H ALA 21 H ALA 21 2.057 -6.107 -8.189
125 HA ALA 21 HA ALA 21 0.010 -5.800 -10.240
126 HB1 ALA 21 3HB ALA 21 0.850 -8.411 -9.076
127 HB2 ALA 21 1HB ALA 21 -0.852 -8.148 -9.460
128 HB3 ALA 21 2HB ALA 21 0.370 -8.014 -10.726
129 H PHE 22 H PHE 22 -2.174 -5.912 -9.374
130 HA PHE 22 HA PHE 22 -2.509 -5.906 -6.504
131 HB2 PHE 22 1HB PHE 22 -3.196 -3.403 -8.053
132 HB3 PHE 22 2HB PHE 22 -3.357 -3.656 -6.319
133 HD1 PHE 22 HD2 PHE 22 -0.953 -3.205 -9.072
134 HD2 PHE 22 HD1 PHE 22 -1.515 -3.373 -4.856
135 HE1 PHE 22 HE2 PHE 22 1.315 -2.311 -8.738
136 HE2 PHE 22 HE1 PHE 22 0.752 -2.477 -4.515
137 HZ PHE 22 HZ PHE 22 2.170 -1.946 -6.457
138 H LYS 23 H LYS 23 -4.430 -6.739 -6.005
139 HA LYS 23 HA LYS 23 -6.219 -7.651 -7.963
140 HB2 LYS 23 1HB LYS 23 -6.381 -7.372 -4.978
141 HB3 LYS 23 2HB LYS 23 -7.781 -7.902 -5.900
142 HG2 LYS 23 1HG LYS 23 -6.594 -9.817 -6.717
143 HG3 LYS 23 2HG LYS 23 -5.091 -9.248 -5.988
144 HD2 LYS 23 1HD LYS 23 -7.473 -9.647 -4.242
145 HD3 LYS 23 2HD LYS 23 -6.580 -11.065 -4.798
146 HE2 LYS 23 1HE LYS 23 -4.500 -9.712 -3.984
147 HE3 LYS 23 2HE LYS 23 -5.688 -8.828 -3.028
148 HZ1 LYS 23 3HZ LYS 23 -4.688 -11.518 -2.695
149 HZ2 LYS 23 1HZ LYS 23 -6.366 -11.374 -2.529
150 HZ3 LYS 23 2HZ LYS 23 -5.338 -10.454 -1.551
151 H THR 24 H THR 24 -6.252 -4.774 -5.926
152 HA THR 24 HA THR 24 -8.690 -3.865 -7.300
153 HB THR 24 HB THR 24 -8.929 -2.225 -5.471
154 HG1 THR 24 HG1 THR 24 -7.176 -1.847 -4.354
155 HG21 THR 24 3HG2 THR 24 -8.803 -5.155 -4.896
156 HG22 THR 24 1HG2 THR 24 -10.207 -4.097 -5.023
157 HG23 THR 24 2HG2 THR 24 -9.179 -4.031 -3.591
158 H LYS 25 H LYS 25 -8.708 -2.006 -8.465
159 HA LYS 25 HA LYS 25 -6.335 -1.026 -9.568
160 HB2 LYS 25 1HB LYS 25 -8.833 -0.839 -10.353
161 HB3 LYS 25 2HB LYS 25 -8.794 0.679 -9.467
162 HG2 LYS 25 1HG LYS 25 -6.639 0.115 -11.440
163 HG3 LYS 25 2HG LYS 25 -8.236 0.589 -12.023
164 HD2 LYS 25 1HD LYS 25 -6.860 2.166 -9.878
165 HD3 LYS 25 2HD LYS 25 -6.463 2.423 -11.579
166 HE2 LYS 25 1HE LYS 25 -9.044 2.613 -11.867
167 HE3 LYS 25 2HE LYS 25 -9.033 2.920 -10.131
168 HZ1 LYS 25 3HZ LYS 25 -8.321 4.980 -10.469
169 HZ2 LYS 25 1HZ LYS 25 -8.597 4.755 -12.123
170 HZ3 LYS 25 2HZ LYS 25 -7.061 4.470 -11.476
171 H SER 26 H SER 26 -8.523 0.608 -7.270
172 HA SER 26 HA SER 26 -7.264 2.922 -6.773
173 HB2 SER 26 1HB SER 26 -8.328 1.062 -4.634
174 HB3 SER 26 2HB SER 26 -8.039 2.790 -4.431
175 HG SER 26 HG SER 26 -9.655 1.975 -6.557
176 H SER 27 H SER 27 -6.320 -0.184 -5.327
177 HA SER 27 HA SER 27 -4.198 0.746 -3.773
178 HB2 SER 27 1HB SER 27 -5.079 -1.504 -3.499
179 HB3 SER 27 2HB SER 27 -4.555 -1.940 -5.125
180 HG SER 27 HG SER 27 -3.034 -2.674 -3.657
181 H LEU 28 H LEU 28 -4.158 -0.561 -7.083
182 HA LEU 28 HA LEU 28 -1.433 -0.369 -7.568
183 HB2 LEU 28 1HB LEU 28 -2.686 -1.529 -9.154
184 HB3 LEU 28 2HB LEU 28 -3.842 -0.211 -9.340
185 HG LEU 28 HG LEU 28 -1.760 1.052 -10.330
186 HD11 LEU 28 1HD1 LEU 28 -1.029 -1.697 -11.227
187 HD12 LEU 28 2HD1 LEU 28 -0.368 -1.068 -9.719
188 HD13 LEU 28 3HD1 LEU 28 -0.070 -0.217 -11.234
189 HD21 LEU 28 3HD2 LEU 28 -2.479 -0.666 -12.445
190 HD22 LEU 28 1HD2 LEU 28 -3.126 0.932 -12.073
191 HD23 LEU 28 2HD2 LEU 28 -3.898 -0.508 -11.409
192 H ILE 29 H ILE 29 -3.935 2.094 -7.756
193 HA ILE 29 HA ILE 29 -2.483 4.090 -9.077
194 HB ILE 29 HB ILE 29 -4.676 4.344 -7.019
195 HG12 ILE 29 1HG1 ILE 29 -4.765 4.649 -10.026
196 HG13 ILE 29 2HG1 ILE 29 -5.210 3.176 -9.172
197 HG21 ILE 29 1HG2 ILE 29 -3.941 6.474 -6.898
198 HG22 ILE 29 2HG2 ILE 29 -3.080 6.378 -8.433
199 HG23 ILE 29 3HG2 ILE 29 -4.824 6.636 -8.416
200 HD11 ILE 29 3HD1 ILE 29 -7.273 3.988 -9.156
201 HD12 ILE 29 1HD1 ILE 29 -6.709 5.112 -7.920
202 HD13 ILE 29 2HD1 ILE 29 -6.728 5.602 -9.614
203 H CYS 30 H CYS 30 -2.695 3.266 -5.645
204 HA CYS 30 HA CYS 30 -1.173 5.461 -4.707
205 HB2 CYS 30 1HB CYS 30 -1.590 2.746 -3.438
206 HB3 CYS 30 2HB CYS 30 -0.986 4.180 -2.617
207 HG CYS 30 HG CYS 30 -4.026 4.344 -4.113
208 H HIS 31 H HIS 31 -0.327 2.463 -6.180
209 HA HIS 31 HA HIS 31 2.445 2.617 -5.290
210 HB2 HIS 31 1HB HIS 31 1.626 0.399 -5.304
211 HB3 HIS 31 2HB HIS 31 0.885 0.596 -6.889
212 HD1 HIS 31 HD1 HIS 31 4.121 -0.181 -5.222
213 HD2 HIS 31 HD2 HIS 31 2.651 0.343 -9.072
214 HE1 HIS 31 HE1 HIS 31 5.920 -1.046 -6.752
215 H ARG 32 H ARG 32 0.482 3.215 -8.114
216 HA ARG 32 HA ARG 32 2.497 3.324 -10.060
217 HB2 ARG 32 1HB ARG 32 -0.226 4.551 -9.809
218 HB3 ARG 32 2HB ARG 32 0.821 5.012 -11.144
219 HG2 ARG 32 1HG ARG 32 0.370 2.120 -10.612
220 HG3 ARG 32 2HG ARG 32 -0.907 3.060 -11.387
221 HD2 ARG 32 1HD ARG 32 0.761 3.809 -13.077
222 HD3 ARG 32 2HD ARG 32 1.931 2.713 -12.343
223 HE ARG 32 HE ARG 32 -0.134 1.078 -12.891
224 HH11 ARG 32 1HH1 ARG 32 1.582 3.425 -14.806
225 HH12 ARG 32 2HH1 ARG 32 1.329 2.584 -16.300
226 HH21 ARG 32 1HH2 ARG 32 -0.474 -0.038 -14.851
227 HH22 ARG 32 2HH2 ARG 32 0.159 0.615 -16.324
228 H ARG 33 H ARG 33 0.917 6.076 -8.421
229 HA ARG 33 HA ARG 33 2.572 8.083 -9.327
230 HB2 ARG 33 1HB ARG 33 1.640 9.442 -7.699
231 HB3 ARG 33 2HB ARG 33 0.437 8.167 -7.835
232 HG2 ARG 33 1HG ARG 33 1.196 7.127 -5.836
233 HG3 ARG 33 2HG ARG 33 2.614 8.174 -5.762
234 HD2 ARG 33 1HD ARG 33 1.137 10.118 -5.458
235 HD3 ARG 33 2HD ARG 33 -0.261 9.043 -5.485
236 HE ARG 33 HE ARG 33 1.426 8.103 -3.502
237 HH11 ARG 33 1HH1 ARG 33 -0.375 11.002 -4.184
238 HH12 ARG 33 2HH1 ARG 33 -0.615 11.403 -2.516
239 HH21 ARG 33 1HH2 ARG 33 1.118 8.619 -1.302
240 HH22 ARG 33 2HH2 ARG 33 0.236 10.047 -0.877
241 H SER 34 H SER 34 3.146 5.734 -6.809
242 HA SER 34 HA SER 34 5.217 6.890 -5.399
243 HB2 SER 34 1HB SER 34 4.091 4.645 -4.974
244 HB3 SER 34 2HB SER 34 5.185 3.973 -6.182
245 HG SER 34 HG SER 34 6.155 3.717 -4.208
246 H HIS 35 H HIS 35 5.169 5.857 -8.664
247 HA HIS 35 HA HIS 35 8.068 5.696 -8.872
248 HB2 HIS 35 1HB HIS 35 5.867 5.338 -10.912
249 HB3 HIS 35 2HB HIS 35 7.583 5.216 -11.290
250 HD1 HIS 35 HD1 HIS 35 8.843 3.341 -9.616
251 HD2 HIS 35 HD2 HIS 35 4.776 2.936 -10.364
252 HE1 HIS 35 HE1 HIS 35 8.296 0.946 -9.079
253 H THR 36 H THR 36 7.383 8.169 -8.014
254 HA THR 36 HA THR 36 6.768 10.156 -9.810
255 HB THR 36 HB THR 36 8.321 11.631 -8.421
256 HG1 THR 36 HG1 THR 36 8.763 10.325 -6.337
257 HG21 THR 36 3HG2 THR 36 5.885 11.278 -7.981
258 HG22 THR 36 1HG2 THR 36 6.830 11.647 -6.538
259 HG23 THR 36 2HG2 THR 36 6.326 9.988 -6.862
260 H GLY 37 H GLY 37 10.148 9.606 -8.829
261 HA2 GLY 37 1HA GLY 37 11.858 9.050 -10.466
262 HA3 GLY 37 2HA GLY 37 10.924 9.944 -11.657
263 H GLU 38 H GLU 38 11.360 11.185 -8.435
264 HA GLU 38 HA GLU 38 13.067 13.305 -9.552
265 HB2 GLU 38 1HB GLU 38 10.721 13.719 -8.421
266 HB3 GLU 38 2HB GLU 38 11.653 13.593 -6.935
267 HG2 GLU 38 1HG GLU 38 12.643 15.401 -9.073
268 HG3 GLU 38 2HG GLU 38 11.246 15.904 -8.122
269 H LYS 39 H LYS 39 14.286 10.914 -8.854
270 HA LYS 39 HA LYS 39 15.291 10.892 -6.205
271 HB2 LYS 39 1HB LYS 39 15.264 8.953 -7.831
272 HB3 LYS 39 2HB LYS 39 16.630 9.710 -8.639
273 HG2 LYS 39 1HG LYS 39 17.881 9.599 -6.492
274 HG3 LYS 39 2HG LYS 39 16.533 8.684 -5.811
275 HD2 LYS 39 1HD LYS 39 17.839 7.787 -8.351
276 HD3 LYS 39 2HD LYS 39 18.576 7.413 -6.792
277 HE2 LYS 39 1HE LYS 39 15.683 6.822 -7.287
278 HE3 LYS 39 2HE LYS 39 16.930 5.719 -7.867
279 HZ1 LYS 39 3HZ LYS 39 16.955 6.608 -5.062
280 HZ2 LYS 39 1HZ LYS 39 17.575 5.187 -5.739
281 HZ3 LYS 39 2HZ LYS 39 15.906 5.369 -5.538
282 HA PRO 40 HA PRO 40 18.292 14.116 -6.412
283 HB2 PRO 40 1HB PRO 40 19.833 13.360 -4.309
284 HB3 PRO 40 2HB PRO 40 18.239 14.099 -4.115
285 HG2 PRO 40 1HG PRO 40 19.016 11.210 -3.989
286 HG3 PRO 40 2HG PRO 40 17.915 12.120 -2.938
287 HD2 PRO 40 1HD PRO 40 17.033 10.509 -4.928
288 HD3 PRO 40 2HD PRO 40 16.169 11.981 -4.436
289 H SER 41 H SER 41 18.814 11.005 -7.347
290 HA SER 41 HA SER 41 21.382 10.299 -7.333
291 HB2 SER 41 1HB SER 41 19.374 10.280 -9.542
292 HB3 SER 41 2HB SER 41 21.038 9.839 -9.926
293 HG SER 41 HG SER 41 20.704 8.437 -7.904
294 H GLY 42 H GLY 42 23.303 11.170 -7.752
295 HA2 GLY 42 1HA GLY 42 24.138 12.591 -9.919
296 HA3 GLY 42 2HA GLY 42 23.470 13.823 -8.859
297 HA PRO 43 HA PRO 43 27.423 11.799 -6.839
298 HB2 PRO 43 1HB PRO 43 29.242 10.988 -8.684
299 HB3 PRO 43 2HB PRO 43 28.020 9.909 -8.002
300 HG2 PRO 43 1HG PRO 43 28.017 11.360 -10.620
301 HG3 PRO 43 2HG PRO 43 27.536 9.690 -10.266
302 HD2 PRO 43 1HD PRO 43 25.737 11.690 -10.574
303 HD3 PRO 43 2HD PRO 43 25.464 10.322 -9.476
304 H SER 44 H SER 44 27.526 14.097 -6.483
305 HA SER 44 HA SER 44 29.794 15.316 -7.865
306 HB2 SER 44 1HB SER 44 28.670 17.378 -8.309
307 HB3 SER 44 2HB SER 44 27.638 16.097 -8.944
308 HG SER 44 HG SER 44 26.488 16.246 -6.894
309 H SER 45 H SER 45 31.024 16.649 -6.596
310 HA SER 45 HA SER 45 30.578 16.456 -3.750
311 HB2 SER 45 1HB SER 45 32.792 17.281 -3.496
312 HB3 SER 45 2HB SER 45 32.840 16.233 -4.914
313 HG SER 45 HG SER 45 33.359 17.893 -6.086
314 H GLY 46 H GLY 46 30.768 18.360 -2.330
315 HA2 GLY 46 1HA GLY 46 30.698 20.962 -2.702
316 HA3 GLY 46 2HA GLY 46 29.142 20.545 -3.404
Start of MODEL 19
1 H1 GLY 1 H GLY 1 15.039 -25.020 -10.488
2 HA2 GLY 1 1HA GLY 1 12.916 -26.154 -12.168
3 HA3 GLY 1 2HA GLY 1 13.027 -26.684 -10.496
4 H SER 2 H SER 2 11.478 -25.758 -9.343
5 HA SER 2 HA SER 2 11.276 -22.880 -9.249
6 HB2 SER 2 1HB SER 2 8.808 -22.888 -9.693
7 HB3 SER 2 2HB SER 2 9.787 -23.274 -11.108
8 HG SER 2 HG SER 2 9.388 -25.537 -10.513
9 H SER 3 H SER 3 10.984 -22.315 -7.201
10 HA SER 3 HA SER 3 9.673 -24.237 -5.391
11 HB2 SER 3 1HB SER 3 12.097 -24.028 -4.954
12 HB3 SER 3 2HB SER 3 11.895 -22.293 -4.715
13 HG SER 3 HG SER 3 10.176 -23.231 -3.110
14 H GLY 4 H GLY 4 10.459 -20.776 -5.753
15 HA2 GLY 4 1HA GLY 4 7.728 -20.128 -4.925
16 HA3 GLY 4 2HA GLY 4 9.041 -19.471 -3.959
17 H SER 5 H SER 5 8.087 -19.732 -7.385
18 HA SER 5 HA SER 5 8.709 -16.876 -7.679
19 HB2 SER 5 1HB SER 5 9.561 -19.065 -9.590
20 HB3 SER 5 2HB SER 5 9.729 -17.336 -9.892
21 HG SER 5 HG SER 5 10.947 -17.384 -7.796
22 H SER 6 H SER 6 7.198 -19.720 -9.176
23 HA SER 6 HA SER 6 5.617 -18.349 -11.037
24 HB2 SER 6 1HB SER 6 4.264 -20.406 -11.130
25 HB3 SER 6 2HB SER 6 5.989 -20.774 -11.141
26 HG SER 6 HG SER 6 4.914 -22.124 -9.683
27 H GLY 7 H GLY 7 4.282 -16.739 -10.505
28 HA2 GLY 7 1HA GLY 7 3.018 -16.454 -7.993
29 HA3 GLY 7 2HA GLY 7 2.625 -15.552 -9.449
30 H THR 8 H THR 8 0.513 -15.971 -8.041
31 HA THR 8 HA THR 8 -0.837 -18.256 -9.316
32 HB THR 8 HB THR 8 -1.348 -17.263 -6.505
33 HG1 THR 8 HG1 THR 8 -0.553 -19.462 -6.033
34 HG21 THR 8 3HG2 THR 8 -2.726 -19.404 -6.426
35 HG22 THR 8 1HG2 THR 8 -2.619 -19.412 -8.186
36 HG23 THR 8 2HG2 THR 8 -3.399 -18.066 -7.356
37 H GLY 9 H GLY 9 -2.561 -17.707 -10.485
38 HA2 GLY 9 1HA GLY 9 -4.453 -16.571 -11.164
39 HA3 GLY 9 2HA GLY 9 -4.360 -15.621 -9.689
40 H GLN 10 H GLN 10 -5.031 -14.612 -12.262
41 HA GLN 10 HA GLN 10 -2.714 -12.865 -12.776
42 HB2 GLN 10 1HB GLN 10 -3.611 -14.503 -14.617
43 HB3 GLN 10 2HB GLN 10 -4.870 -13.291 -14.810
44 HG2 GLN 10 1HG GLN 10 -3.199 -11.599 -15.292
45 HG3 GLN 10 2HG GLN 10 -1.914 -12.779 -15.043
46 HE21 GLN 10 1HE2 GLN 10 -3.617 -11.215 -17.332
47 HE22 GLN 10 2HE2 GLN 10 -3.477 -12.338 -18.637
48 H ARG 11 H ARG 11 -3.023 -10.894 -12.000
49 HA ARG 11 HA ARG 11 -5.715 -9.898 -11.544
50 HB2 ARG 11 1HB ARG 11 -3.059 -8.596 -10.919
51 HB3 ARG 11 2HB ARG 11 -4.636 -8.085 -10.333
52 HG2 ARG 11 1HG ARG 11 -3.537 -10.810 -9.736
53 HG3 ARG 11 2HG ARG 11 -3.154 -9.404 -8.740
54 HD2 ARG 11 1HD ARG 11 -4.985 -10.177 -7.620
55 HD3 ARG 11 2HD ARG 11 -5.777 -9.106 -8.776
56 HE ARG 11 HE ARG 11 -6.724 -10.937 -9.774
57 HH11 ARG 11 1HH1 ARG 11 -4.135 -11.977 -7.691
58 HH12 ARG 11 2HH1 ARG 11 -4.509 -13.661 -7.849
59 HH21 ARG 11 1HH2 ARG 11 -7.226 -13.152 -9.990
60 HH22 ARG 11 2HH2 ARG 11 -6.267 -14.328 -9.158
61 HA PRO 12 HA PRO 12 -5.899 -7.474 -15.215
62 HB2 PRO 12 1HB PRO 12 -7.746 -5.649 -14.420
63 HB3 PRO 12 2HB PRO 12 -8.157 -7.322 -14.817
64 HG2 PRO 12 1HG PRO 12 -7.733 -6.062 -12.135
65 HG3 PRO 12 2HG PRO 12 -8.988 -7.205 -12.649
66 HD2 PRO 12 1HD PRO 12 -6.801 -7.974 -11.249
67 HD3 PRO 12 2HD PRO 12 -7.591 -9.026 -12.441
68 H TYR 13 H TYR 13 -5.172 -6.048 -12.111
69 HA TYR 13 HA TYR 13 -4.168 -3.612 -13.393
70 HB2 TYR 13 1HB TYR 13 -4.325 -4.176 -10.432
71 HB3 TYR 13 2HB TYR 13 -4.139 -2.615 -11.223
72 HD1 TYR 13 HD2 TYR 13 -6.102 -1.884 -12.776
73 HD2 TYR 13 HD1 TYR 13 -6.436 -4.883 -9.777
74 HE1 TYR 13 HE2 TYR 13 -8.542 -1.576 -12.748
75 HE2 TYR 13 HE1 TYR 13 -8.878 -4.585 -9.742
76 HH TYR 13 HH TYR 13 -10.604 -3.435 -10.532
77 H GLU 14 H GLU 14 -2.165 -3.880 -14.161
78 HA GLU 14 HA GLU 14 -0.147 -5.020 -12.344
79 HB2 GLU 14 1HB GLU 14 -0.462 -5.438 -15.313
80 HB3 GLU 14 2HB GLU 14 1.048 -5.759 -14.471
81 HG2 GLU 14 1HG GLU 14 0.208 -7.577 -13.360
82 HG3 GLU 14 2HG GLU 14 -1.456 -7.004 -13.456
83 H CYS 15 H CYS 15 1.767 -3.943 -12.173
84 HA CYS 15 HA CYS 15 1.880 -1.317 -13.472
85 HB2 CYS 15 1HB CYS 15 2.067 -1.027 -11.155
86 HB3 CYS 15 2HB CYS 15 3.090 -2.447 -10.965
87 H ILE 16 H ILE 16 3.004 -1.284 -15.301
88 HA ILE 16 HA ILE 16 5.016 -3.202 -15.940
89 HB ILE 16 HB ILE 16 4.384 -0.592 -17.324
90 HG12 ILE 16 1HG1 ILE 16 3.486 -3.329 -18.194
91 HG13 ILE 16 2HG1 ILE 16 2.533 -2.381 -17.057
92 HG21 ILE 16 1HG2 ILE 16 6.627 -1.822 -17.734
93 HG22 ILE 16 2HG2 ILE 16 5.635 -2.982 -18.615
94 HG23 ILE 16 3HG2 ILE 16 5.671 -1.292 -19.117
95 HD11 ILE 16 3HD1 ILE 16 3.196 -1.746 -19.911
96 HD12 ILE 16 1HD1 ILE 16 1.611 -1.973 -19.174
97 HD13 ILE 16 2HD1 ILE 16 2.564 -0.539 -18.791
98 H GLU 17 H GLU 17 5.032 0.096 -14.731
99 HA GLU 17 HA GLU 17 7.588 0.930 -15.158
100 HB2 GLU 17 1HB GLU 17 5.707 1.287 -12.865
101 HB3 GLU 17 2HB GLU 17 7.357 1.870 -12.699
102 HG2 GLU 17 1HG GLU 17 5.283 2.726 -14.692
103 HG3 GLU 17 2HG GLU 17 6.064 3.694 -13.442
104 H CYS 18 H CYS 18 6.501 -1.384 -12.721
105 HA CYS 18 HA CYS 18 9.316 -2.128 -12.286
106 HB2 CYS 18 1HB CYS 18 8.988 -2.384 -9.965
107 HB3 CYS 18 2HB CYS 18 8.215 -0.852 -10.360
108 H GLY 19 H GLY 19 5.934 -3.191 -12.060
109 HA2 GLY 19 1HA GLY 19 5.356 -5.241 -13.287
110 HA3 GLY 19 2HA GLY 19 6.869 -5.919 -12.706
111 H LYS 20 H LYS 20 4.221 -4.174 -11.085
112 HA LYS 20 HA LYS 20 4.039 -6.429 -9.197
113 HB2 LYS 20 1HB LYS 20 4.746 -3.967 -8.495
114 HB3 LYS 20 2HB LYS 20 3.004 -3.724 -8.484
115 HG2 LYS 20 1HG LYS 20 3.575 -4.286 -6.282
116 HG3 LYS 20 2HG LYS 20 2.872 -5.751 -6.969
117 HD2 LYS 20 1HD LYS 20 4.744 -6.600 -5.934
118 HD3 LYS 20 2HD LYS 20 5.361 -6.307 -7.562
119 HE2 LYS 20 1HE LYS 20 6.924 -5.510 -5.863
120 HE3 LYS 20 2HE LYS 20 6.300 -4.178 -6.833
121 HZ1 LYS 20 3HZ LYS 20 4.653 -4.600 -4.572
122 HZ2 LYS 20 1HZ LYS 20 5.514 -3.213 -5.018
123 HZ3 LYS 20 2HZ LYS 20 6.260 -4.406 -4.079
124 H ALA 21 H ALA 21 2.033 -7.220 -8.626
125 HA ALA 21 HA ALA 21 -0.198 -6.322 -10.327
126 HB1 ALA 21 3HB ALA 21 -1.126 -8.608 -9.948
127 HB2 ALA 21 1HB ALA 21 0.399 -8.579 -10.834
128 HB3 ALA 21 2HB ALA 21 0.378 -9.025 -9.127
129 H PHE 22 H PHE 22 -2.096 -5.718 -9.430
130 HA PHE 22 HA PHE 22 -2.389 -6.010 -6.515
131 HB2 PHE 22 1HB PHE 22 -3.233 -3.575 -8.093
132 HB3 PHE 22 2HB PHE 22 -3.275 -3.776 -6.345
133 HD1 PHE 22 HD2 PHE 22 -1.063 -3.363 -9.261
134 HD2 PHE 22 HD1 PHE 22 -1.354 -3.398 -5.014
135 HE1 PHE 22 HE2 PHE 22 1.198 -2.406 -9.101
136 HE2 PHE 22 HE1 PHE 22 0.906 -2.439 -4.848
137 HZ PHE 22 HZ PHE 22 2.186 -1.943 -6.893
138 H LYS 23 H LYS 23 -4.452 -6.371 -5.739
139 HA LYS 23 HA LYS 23 -6.278 -7.588 -7.574
140 HB2 LYS 23 1HB LYS 23 -5.926 -8.409 -5.259
141 HB3 LYS 23 2HB LYS 23 -6.662 -6.934 -4.647
142 HG2 LYS 23 1HG LYS 23 -8.396 -8.456 -4.556
143 HG3 LYS 23 2HG LYS 23 -8.693 -7.618 -6.082
144 HD2 LYS 23 1HD LYS 23 -7.447 -9.472 -7.229
145 HD3 LYS 23 2HD LYS 23 -7.434 -10.329 -5.685
146 HE2 LYS 23 1HE LYS 23 -9.997 -9.326 -6.872
147 HE3 LYS 23 2HE LYS 23 -9.298 -10.859 -7.393
148 HZ1 LYS 23 3HZ LYS 23 -10.978 -10.648 -5.357
149 HZ2 LYS 23 1HZ LYS 23 -9.519 -10.455 -4.521
150 HZ3 LYS 23 2HZ LYS 23 -9.787 -11.847 -5.443
151 H THR 24 H THR 24 -6.375 -4.675 -5.543
152 HA THR 24 HA THR 24 -8.760 -3.789 -7.015
153 HB THR 24 HB THR 24 -9.065 -2.141 -5.195
154 HG1 THR 24 HG1 THR 24 -7.705 -2.730 -3.242
155 HG21 THR 24 3HG2 THR 24 -9.666 -3.771 -3.420
156 HG22 THR 24 1HG2 THR 24 -8.806 -5.020 -4.320
157 HG23 THR 24 2HG2 THR 24 -10.230 -4.251 -5.021
158 H LYS 25 H LYS 25 -8.642 -2.134 -8.392
159 HA LYS 25 HA LYS 25 -6.325 -1.078 -9.388
160 HB2 LYS 25 1HB LYS 25 -8.685 -0.857 -10.312
161 HB3 LYS 25 2HB LYS 25 -8.885 0.510 -9.223
162 HG2 LYS 25 1HG LYS 25 -6.809 1.484 -10.335
163 HG3 LYS 25 2HG LYS 25 -7.041 0.248 -11.573
164 HD2 LYS 25 1HD LYS 25 -9.486 1.164 -11.622
165 HD3 LYS 25 2HD LYS 25 -8.761 2.594 -10.884
166 HE2 LYS 25 1HE LYS 25 -7.147 2.684 -12.762
167 HE3 LYS 25 2HE LYS 25 -7.989 1.329 -13.512
168 HZ1 LYS 25 3HZ LYS 25 -8.670 3.517 -14.384
169 HZ2 LYS 25 1HZ LYS 25 -9.262 3.929 -12.853
170 HZ3 LYS 25 2HZ LYS 25 -9.958 2.650 -13.713
171 H SER 26 H SER 26 -8.240 0.122 -6.681
172 HA SER 26 HA SER 26 -7.184 2.591 -6.225
173 HB2 SER 26 1HB SER 26 -7.794 0.468 -4.155
174 HB3 SER 26 2HB SER 26 -7.569 2.180 -3.801
175 HG SER 26 HG SER 26 -9.560 1.074 -5.498
176 H SER 27 H SER 27 -5.763 -0.503 -5.212
177 HA SER 27 HA SER 27 -3.524 0.541 -3.894
178 HB2 SER 27 1HB SER 27 -3.829 -2.093 -5.357
179 HB3 SER 27 2HB SER 27 -2.519 -1.702 -4.243
180 HG SER 27 HG SER 27 -5.226 -1.512 -3.465
181 H LEU 28 H LEU 28 -3.944 -0.468 -7.271
182 HA LEU 28 HA LEU 28 -1.298 0.026 -8.093
183 HB2 LEU 28 1HB LEU 28 -2.783 -1.329 -9.418
184 HB3 LEU 28 2HB LEU 28 -3.882 0.030 -9.644
185 HG LEU 28 HG LEU 28 -1.733 1.101 -10.771
186 HD11 LEU 28 1HD1 LEU 28 -1.016 -1.669 -10.400
187 HD12 LEU 28 2HD1 LEU 28 -0.038 -0.318 -10.972
188 HD13 LEU 28 3HD1 LEU 28 -1.029 -1.233 -12.109
189 HD21 LEU 28 3HD2 LEU 28 -2.640 0.501 -12.889
190 HD22 LEU 28 1HD2 LEU 28 -3.990 0.638 -11.762
191 HD23 LEU 28 2HD2 LEU 28 -3.387 -0.953 -12.226
192 H ILE 29 H ILE 29 -4.172 2.076 -8.012
193 HA ILE 29 HA ILE 29 -3.174 4.272 -9.419
194 HB ILE 29 HB ILE 29 -5.154 4.218 -7.140
195 HG12 ILE 29 1HG1 ILE 29 -5.464 4.174 -10.146
196 HG13 ILE 29 2HG1 ILE 29 -5.931 2.915 -9.008
197 HG21 ILE 29 1HG2 ILE 29 -3.919 6.433 -8.482
198 HG22 ILE 29 2HG2 ILE 29 -5.649 6.408 -8.817
199 HG23 ILE 29 3HG2 ILE 29 -5.075 6.437 -7.150
200 HD11 ILE 29 3HD1 ILE 29 -7.281 5.461 -9.687
201 HD12 ILE 29 1HD1 ILE 29 -7.956 3.859 -9.390
202 HD13 ILE 29 2HD1 ILE 29 -7.430 4.859 -8.036
203 H CYS 30 H CYS 30 -2.904 3.418 -6.000
204 HA CYS 30 HA CYS 30 -1.547 5.841 -5.288
205 HB2 CYS 30 1HB CYS 30 -2.304 3.318 -3.904
206 HB3 CYS 30 2HB CYS 30 -0.982 4.253 -3.215
207 HG CYS 30 HG CYS 30 -4.075 5.571 -3.844
208 H HIS 31 H HIS 31 -0.553 2.466 -5.781
209 HA HIS 31 HA HIS 31 2.161 2.780 -5.206
210 HB2 HIS 31 1HB HIS 31 1.272 0.571 -5.388
211 HB3 HIS 31 2HB HIS 31 0.722 0.859 -7.037
212 HD1 HIS 31 HD1 HIS 31 4.077 0.909 -5.224
213 HD2 HIS 31 HD2 HIS 31 2.385 -0.266 -8.832
214 HE1 HIS 31 HE1 HIS 31 5.949 -0.145 -6.533
215 H ARG 32 H ARG 32 0.552 2.811 -8.389
216 HA ARG 32 HA ARG 32 2.543 3.222 -10.120
217 HB2 ARG 32 1HB ARG 32 -0.123 4.587 -9.932
218 HB3 ARG 32 2HB ARG 32 0.991 4.990 -11.232
219 HG2 ARG 32 1HG ARG 32 0.316 2.132 -10.719
220 HG3 ARG 32 2HG ARG 32 -0.834 3.164 -11.572
221 HD2 ARG 32 1HD ARG 32 2.050 2.773 -12.362
222 HD3 ARG 32 2HD ARG 32 0.685 1.921 -13.084
223 HE ARG 32 HE ARG 32 -0.005 4.493 -13.426
224 HH11 ARG 32 1HH1 ARG 32 2.937 2.754 -14.088
225 HH12 ARG 32 2HH1 ARG 32 3.381 3.756 -15.430
226 HH21 ARG 32 1HH2 ARG 32 0.568 5.819 -15.191
227 HH22 ARG 32 2HH2 ARG 32 2.033 5.500 -16.056
228 H ARG 33 H ARG 33 1.099 5.899 -8.257
229 HA ARG 33 HA ARG 33 2.736 7.949 -9.095
230 HB2 ARG 33 1HB ARG 33 2.033 7.840 -6.201
231 HB3 ARG 33 2HB ARG 33 1.903 9.176 -7.337
232 HG2 ARG 33 1HG ARG 33 0.062 7.606 -8.407
233 HG3 ARG 33 2HG ARG 33 -0.002 6.981 -6.758
234 HD2 ARG 33 1HD ARG 33 -1.591 8.683 -6.760
235 HD3 ARG 33 2HD ARG 33 -0.167 9.446 -6.052
236 HE ARG 33 HE ARG 33 -0.031 9.946 -8.760
237 HH11 ARG 33 1HH1 ARG 33 -2.246 10.622 -6.160
238 HH12 ARG 33 2HH1 ARG 33 -2.822 12.097 -6.861
239 HH21 ARG 33 1HH2 ARG 33 -0.782 11.887 -9.693
240 HH22 ARG 33 2HH2 ARG 33 -1.990 12.815 -8.871
241 H SER 34 H SER 34 3.316 5.611 -6.497
242 HA SER 34 HA SER 34 5.545 6.557 -5.286
243 HB2 SER 34 1HB SER 34 4.378 4.330 -4.888
244 HB3 SER 34 2HB SER 34 5.370 3.682 -6.194
245 HG SER 34 HG SER 34 6.919 3.501 -4.804
246 H HIS 35 H HIS 35 5.280 5.537 -8.573
247 HA HIS 35 HA HIS 35 8.167 5.429 -8.948
248 HB2 HIS 35 1HB HIS 35 5.836 4.931 -10.801
249 HB3 HIS 35 2HB HIS 35 7.510 4.931 -11.349
250 HD1 HIS 35 HD1 HIS 35 9.075 3.148 -9.888
251 HD2 HIS 35 HD2 HIS 35 4.978 2.482 -10.058
252 HE1 HIS 35 HE1 HIS 35 8.761 0.730 -9.273
253 H THR 36 H THR 36 7.413 7.908 -8.101
254 HA THR 36 HA THR 36 6.715 9.794 -10.020
255 HB THR 36 HB THR 36 7.821 11.467 -8.598
256 HG1 THR 36 HG1 THR 36 9.408 10.886 -7.331
257 HG21 THR 36 3HG2 THR 36 5.609 10.180 -7.998
258 HG22 THR 36 1HG2 THR 36 6.338 11.294 -6.843
259 HG23 THR 36 2HG2 THR 36 6.583 9.557 -6.667
260 H GLY 37 H GLY 37 9.964 8.697 -9.055
261 HA2 GLY 37 1HA GLY 37 10.950 9.169 -11.728
262 HA3 GLY 37 2HA GLY 37 11.594 10.281 -10.529
263 H GLU 38 H GLU 38 10.821 6.841 -10.173
264 HA GLU 38 HA GLU 38 12.987 6.132 -8.658
265 HB2 GLU 38 1HB GLU 38 11.346 4.582 -10.636
266 HB3 GLU 38 2HB GLU 38 12.693 3.818 -9.804
267 HG2 GLU 38 1HG GLU 38 10.252 5.045 -8.547
268 HG3 GLU 38 2HG GLU 38 10.660 3.332 -8.634
269 H LYS 39 H LYS 39 14.996 5.118 -9.095
270 HA LYS 39 HA LYS 39 16.051 5.541 -11.808
271 HB2 LYS 39 1HB LYS 39 17.406 6.270 -9.206
272 HB3 LYS 39 2HB LYS 39 18.203 6.270 -10.774
273 HG2 LYS 39 1HG LYS 39 16.471 7.934 -11.528
274 HG3 LYS 39 2HG LYS 39 15.968 8.049 -9.840
275 HD2 LYS 39 1HD LYS 39 17.994 8.995 -9.176
276 HD3 LYS 39 2HD LYS 39 18.838 8.432 -10.621
277 HE2 LYS 39 1HE LYS 39 17.446 9.991 -11.967
278 HE3 LYS 39 2HE LYS 39 16.759 10.611 -10.467
279 HZ1 LYS 39 3HZ LYS 39 19.559 10.814 -11.406
280 HZ2 LYS 39 1HZ LYS 39 19.121 11.113 -9.799
281 HZ3 LYS 39 2HZ LYS 39 18.486 12.070 -11.041
282 HA PRO 40 HA PRO 40 16.891 1.201 -10.686
283 HB2 PRO 40 1HB PRO 40 16.897 0.327 -13.256
284 HB3 PRO 40 2HB PRO 40 15.414 0.545 -12.319
285 HG2 PRO 40 1HG PRO 40 16.655 2.358 -14.353
286 HG3 PRO 40 2HG PRO 40 14.951 1.918 -14.138
287 HD2 PRO 40 1HD PRO 40 15.972 4.263 -13.250
288 HD3 PRO 40 2HD PRO 40 14.648 3.422 -12.419
289 H SER 41 H SER 41 18.764 -0.030 -10.871
290 HA SER 41 HA SER 41 21.121 1.444 -11.676
291 HB2 SER 41 1HB SER 41 20.611 -1.084 -10.152
292 HB3 SER 41 2HB SER 41 22.214 -0.794 -10.827
293 HG SER 41 HG SER 41 20.888 0.505 -8.760
294 H GLY 42 H GLY 42 21.464 1.477 -13.823
295 HA2 GLY 42 1HA GLY 42 22.676 0.094 -15.500
296 HA3 GLY 42 2HA GLY 42 21.438 -1.123 -15.230
297 HA PRO 43 HA PRO 43 20.336 1.749 -18.815
298 HB2 PRO 43 1HB PRO 43 20.482 -0.112 -20.786
299 HB3 PRO 43 2HB PRO 43 21.863 0.875 -20.293
300 HG2 PRO 43 1HG PRO 43 21.181 -1.940 -19.536
301 HG3 PRO 43 2HG PRO 43 22.753 -1.251 -19.981
302 HD2 PRO 43 1HD PRO 43 22.037 -1.705 -17.410
303 HD3 PRO 43 2HD PRO 43 23.100 -0.364 -17.883
304 H SER 44 H SER 44 19.504 -1.662 -18.259
305 HA SER 44 HA SER 44 17.535 -2.795 -18.699
306 HB2 SER 44 1HB SER 44 17.440 -1.520 -16.400
307 HB3 SER 44 2HB SER 44 16.184 -0.578 -17.203
308 HG SER 44 HG SER 44 16.197 -3.266 -16.450
309 H SER 45 H SER 45 18.115 -1.220 -20.908
310 HA SER 45 HA SER 45 15.990 0.483 -21.678
311 HB2 SER 45 1HB SER 45 17.982 -1.039 -23.375
312 HB3 SER 45 2HB SER 45 16.919 0.237 -23.968
313 HG SER 45 HG SER 45 18.549 1.462 -23.425
314 H GLY 46 H GLY 46 14.154 0.115 -22.861
315 HA2 GLY 46 1HA GLY 46 13.583 -2.613 -23.757
316 HA3 GLY 46 2HA GLY 46 12.505 -1.909 -22.561
Start of MODEL 20
1 H1 GLY 1 H GLY 1 8.737 -21.144 -12.956
2 HA2 GLY 1 1HA GLY 1 8.843 -22.246 -10.677
3 HA3 GLY 1 2HA GLY 1 9.926 -20.926 -10.263
4 H SER 2 H SER 2 6.742 -21.982 -10.277
5 HA SER 2 HA SER 2 5.648 -19.267 -10.131
6 HB2 SER 2 1HB SER 2 4.518 -20.956 -11.588
7 HB3 SER 2 2HB SER 2 4.156 -21.900 -10.143
8 HG SER 2 HG SER 2 2.470 -20.411 -10.900
9 H SER 3 H SER 3 6.206 -18.546 -8.118
10 HA SER 3 HA SER 3 5.007 -20.001 -5.860
11 HB2 SER 3 1HB SER 3 7.762 -18.796 -6.049
12 HB3 SER 3 2HB SER 3 6.974 -19.054 -4.493
13 HG SER 3 HG SER 3 7.614 -21.008 -6.447
14 H GLY 4 H GLY 4 3.213 -18.659 -5.806
15 HA2 GLY 4 1HA GLY 4 3.618 -16.140 -4.462
16 HA3 GLY 4 2HA GLY 4 2.987 -15.967 -6.093
17 H SER 5 H SER 5 2.371 -17.664 -3.032
18 HA SER 5 HA SER 5 -0.458 -17.878 -3.721
19 HB2 SER 5 1HB SER 5 1.121 -18.973 -1.382
20 HB3 SER 5 2HB SER 5 -0.605 -19.236 -1.632
21 HG SER 5 HG SER 5 -0.106 -20.306 -3.565
22 H SER 6 H SER 6 0.383 -15.267 -3.368
23 HA SER 6 HA SER 6 -0.774 -14.549 -0.755
24 HB2 SER 6 1HB SER 6 1.518 -13.786 -0.902
25 HB3 SER 6 2HB SER 6 1.212 -13.040 -2.471
26 HG SER 6 HG SER 6 0.986 -11.377 -1.122
27 H GLY 7 H GLY 7 -2.829 -13.961 -0.969
28 HA2 GLY 7 1HA GLY 7 -4.262 -12.094 -1.671
29 HA3 GLY 7 2HA GLY 7 -3.540 -12.244 -3.266
30 H THR 8 H THR 8 -6.329 -12.659 -1.821
31 HA THR 8 HA THR 8 -6.966 -15.256 -3.032
32 HB THR 8 HB THR 8 -8.607 -13.578 -1.123
33 HG1 THR 8 HG1 THR 8 -6.572 -14.799 -0.435
34 HG21 THR 8 3HG2 THR 8 -10.333 -14.861 -1.700
35 HG22 THR 8 1HG2 THR 8 -9.434 -16.276 -1.155
36 HG23 THR 8 2HG2 THR 8 -9.326 -15.756 -2.837
37 H GLY 9 H GLY 9 -7.213 -14.763 -5.188
38 HA2 GLY 9 1HA GLY 9 -9.390 -14.303 -6.483
39 HA3 GLY 9 2HA GLY 9 -9.168 -12.670 -5.872
40 H GLN 10 H GLN 10 -9.325 -12.581 -8.408
41 HA GLN 10 HA GLN 10 -6.747 -13.037 -9.680
42 HB2 GLN 10 1HB GLN 10 -9.133 -13.423 -10.701
43 HB3 GLN 10 2HB GLN 10 -9.054 -11.700 -11.041
44 HG2 GLN 10 1HG GLN 10 -7.425 -11.936 -12.610
45 HG3 GLN 10 2HG GLN 10 -6.746 -13.374 -11.849
46 HE21 GLN 10 1HE2 GLN 10 -9.361 -12.160 -13.840
47 HE22 GLN 10 2HE2 GLN 10 -9.759 -13.673 -14.573
48 H ARG 11 H ARG 11 -5.465 -11.420 -10.579
49 HA ARG 11 HA ARG 11 -6.047 -8.694 -9.619
50 HB2 ARG 11 1HB ARG 11 -3.408 -10.137 -9.868
51 HB3 ARG 11 2HB ARG 11 -3.534 -8.400 -9.623
52 HG2 ARG 11 1HG ARG 11 -4.384 -8.637 -7.474
53 HG3 ARG 11 2HG ARG 11 -4.867 -10.313 -7.748
54 HD2 ARG 11 1HD ARG 11 -1.981 -9.594 -7.935
55 HD3 ARG 11 2HD ARG 11 -2.723 -9.723 -6.341
56 HE ARG 11 HE ARG 11 -3.449 -12.015 -7.656
57 HH11 ARG 11 1HH1 ARG 11 -0.449 -10.463 -6.817
58 HH12 ARG 11 2HH1 ARG 11 0.435 -11.948 -6.689
59 HH21 ARG 11 1HH2 ARG 11 -2.297 -13.977 -7.490
60 HH22 ARG 11 2HH2 ARG 11 -0.618 -13.946 -7.073
61 HA PRO 12 HA PRO 12 -5.942 -8.510 -14.227
62 HB2 PRO 12 1HB PRO 12 -7.941 -6.683 -14.413
63 HB3 PRO 12 2HB PRO 12 -8.236 -8.422 -14.299
64 HG2 PRO 12 1HG PRO 12 -8.354 -6.335 -12.155
65 HG3 PRO 12 2HG PRO 12 -9.466 -7.680 -12.470
66 HD2 PRO 12 1HD PRO 12 -7.571 -7.778 -10.538
67 HD3 PRO 12 2HD PRO 12 -8.099 -9.219 -11.432
68 H TYR 13 H TYR 13 -5.167 -6.508 -11.676
69 HA TYR 13 HA TYR 13 -4.329 -4.328 -13.472
70 HB2 TYR 13 1HB TYR 13 -4.690 -4.168 -10.476
71 HB3 TYR 13 2HB TYR 13 -4.402 -2.832 -11.586
72 HD1 TYR 13 HD1 TYR 13 -6.885 -5.210 -10.320
73 HD2 TYR 13 HD2 TYR 13 -6.190 -1.957 -12.973
74 HE1 TYR 13 HE1 TYR 13 -9.312 -4.903 -10.569
75 HE2 TYR 13 HE2 TYR 13 -8.616 -1.640 -13.228
76 HH TYR 13 HH TYR 13 -10.642 -2.531 -12.825
77 H GLU 14 H GLU 14 -2.243 -4.364 -13.946
78 HA GLU 14 HA GLU 14 -0.332 -5.148 -11.852
79 HB2 GLU 14 1HB GLU 14 -0.215 -5.939 -14.768
80 HB3 GLU 14 2HB GLU 14 1.056 -6.237 -13.591
81 HG2 GLU 14 1HG GLU 14 0.008 -8.254 -13.569
82 HG3 GLU 14 2HG GLU 14 -0.876 -7.436 -12.282
83 H CYS 15 H CYS 15 1.559 -3.990 -11.762
84 HA CYS 15 HA CYS 15 1.529 -1.417 -13.048
85 HB2 CYS 15 1HB CYS 15 2.262 -1.438 -10.784
86 HB3 CYS 15 2HB CYS 15 3.413 -2.734 -11.094
87 H ILE 16 H ILE 16 3.236 -0.550 -14.337
88 HA ILE 16 HA ILE 16 4.641 -2.608 -15.909
89 HB ILE 16 HB ILE 16 2.927 -1.242 -17.129
90 HG12 ILE 16 1HG1 ILE 16 5.739 -0.781 -18.135
91 HG13 ILE 16 2HG1 ILE 16 4.938 -2.348 -18.192
92 HG21 ILE 16 1HG2 ILE 16 3.589 0.863 -15.809
93 HG22 ILE 16 2HG2 ILE 16 4.880 1.028 -16.999
94 HG23 ILE 16 3HG2 ILE 16 3.195 1.040 -17.519
95 HD11 ILE 16 3HD1 ILE 16 3.097 -0.708 -19.368
96 HD12 ILE 16 1HD1 ILE 16 4.627 -0.018 -19.908
97 HD13 ILE 16 2HD1 ILE 16 4.268 -1.717 -20.217
98 H GLU 17 H GLU 17 4.937 0.534 -14.346
99 HA GLU 17 HA GLU 17 7.424 1.364 -15.114
100 HB2 GLU 17 1HB GLU 17 6.013 1.519 -12.467
101 HB3 GLU 17 2HB GLU 17 7.627 2.189 -12.663
102 HG2 GLU 17 1HG GLU 17 6.193 3.991 -13.008
103 HG3 GLU 17 2HG GLU 17 6.673 3.491 -14.629
104 H CYS 18 H CYS 18 6.681 -0.990 -12.560
105 HA CYS 18 HA CYS 18 9.483 -1.891 -12.704
106 HB2 CYS 18 1HB CYS 18 9.466 -2.366 -10.351
107 HB3 CYS 18 2HB CYS 18 8.915 -0.708 -10.567
108 H GLY 19 H GLY 19 6.112 -2.795 -12.184
109 HA2 GLY 19 1HA GLY 19 5.267 -4.766 -13.319
110 HA3 GLY 19 2HA GLY 19 6.820 -5.533 -13.024
111 H LYS 20 H LYS 20 3.723 -4.712 -11.695
112 HA LYS 20 HA LYS 20 4.170 -6.646 -9.550
113 HB2 LYS 20 1HB LYS 20 3.331 -3.780 -9.158
114 HB3 LYS 20 2HB LYS 20 2.932 -5.028 -7.984
115 HG2 LYS 20 1HG LYS 20 5.764 -4.748 -8.845
116 HG3 LYS 20 2HG LYS 20 5.090 -3.550 -7.739
117 HD2 LYS 20 1HD LYS 20 4.860 -6.508 -7.247
118 HD3 LYS 20 2HD LYS 20 6.243 -5.562 -6.691
119 HE2 LYS 20 1HE LYS 20 4.313 -4.017 -5.730
120 HE3 LYS 20 2HE LYS 20 3.416 -5.534 -5.773
121 HZ1 LYS 20 3HZ LYS 20 5.233 -4.691 -3.849
122 HZ2 LYS 20 1HZ LYS 20 5.967 -5.979 -4.664
123 HZ3 LYS 20 2HZ LYS 20 4.451 -6.187 -3.945
124 H ALA 21 H ALA 21 1.873 -6.613 -8.227
125 HA ALA 21 HA ALA 21 -0.326 -6.567 -10.153
126 HB1 ALA 21 3HB ALA 21 0.549 -8.828 -10.301
127 HB2 ALA 21 1HB ALA 21 0.416 -9.012 -8.552
128 HB3 ALA 21 2HB ALA 21 -1.039 -8.831 -9.533
129 H PHE 22 H PHE 22 -2.184 -5.870 -9.282
130 HA PHE 22 HA PHE 22 -2.483 -5.943 -6.359
131 HB2 PHE 22 1HB PHE 22 -3.115 -3.556 -8.108
132 HB3 PHE 22 2HB PHE 22 -3.373 -3.663 -6.370
133 HD1 PHE 22 HD2 PHE 22 -0.814 -3.504 -9.015
134 HD2 PHE 22 HD1 PHE 22 -1.605 -3.302 -4.837
135 HE1 PHE 22 HE2 PHE 22 1.458 -2.643 -8.630
136 HE2 PHE 22 HE1 PHE 22 0.666 -2.440 -4.446
137 HZ PHE 22 HZ PHE 22 2.201 -2.110 -6.343
138 H LYS 23 H LYS 23 -4.657 -5.894 -5.599
139 HA LYS 23 HA LYS 23 -6.441 -7.473 -7.064
140 HB2 LYS 23 1HB LYS 23 -6.497 -7.302 -4.618
141 HB3 LYS 23 2HB LYS 23 -7.016 -5.626 -4.739
142 HG2 LYS 23 1HG LYS 23 -9.012 -6.674 -4.359
143 HG3 LYS 23 2HG LYS 23 -8.986 -6.646 -6.124
144 HD2 LYS 23 1HD LYS 23 -8.273 -8.926 -6.218
145 HD3 LYS 23 2HD LYS 23 -8.010 -8.973 -4.473
146 HE2 LYS 23 1HE LYS 23 -10.720 -8.296 -5.518
147 HE3 LYS 23 2HE LYS 23 -10.191 -9.977 -5.541
148 HZ1 LYS 23 3HZ LYS 23 -10.306 -10.135 -3.314
149 HZ2 LYS 23 1HZ LYS 23 -11.386 -8.841 -3.457
150 HZ3 LYS 23 2HZ LYS 23 -9.771 -8.553 -3.046
151 H THR 24 H THR 24 -6.661 -3.995 -6.302
152 HA THR 24 HA THR 24 -8.156 -3.624 -8.803
153 HB THR 24 HB THR 24 -9.665 -2.020 -7.696
154 HG1 THR 24 HG1 THR 24 -8.502 -1.404 -5.898
155 HG21 THR 24 3HG2 THR 24 -9.841 -4.753 -7.674
156 HG22 THR 24 1HG2 THR 24 -11.142 -3.649 -7.234
157 HG23 THR 24 2HG2 THR 24 -10.117 -4.349 -5.981
158 H LYS 25 H LYS 25 -8.282 -1.281 -9.423
159 HA LYS 25 HA LYS 25 -5.776 -0.167 -9.717
160 HB2 LYS 25 1HB LYS 25 -8.555 0.861 -9.999
161 HB3 LYS 25 2HB LYS 25 -7.251 2.041 -9.988
162 HG2 LYS 25 1HG LYS 25 -6.168 0.701 -11.820
163 HG3 LYS 25 2HG LYS 25 -7.666 -0.229 -11.914
164 HD2 LYS 25 1HD LYS 25 -8.112 1.357 -13.495
165 HD3 LYS 25 2HD LYS 25 -8.727 2.195 -12.068
166 HE2 LYS 25 1HE LYS 25 -6.210 3.025 -11.943
167 HE3 LYS 25 2HE LYS 25 -6.281 2.706 -13.675
168 HZ1 LYS 25 3HZ LYS 25 -7.025 5.007 -12.568
169 HZ2 LYS 25 1HZ LYS 25 -8.513 4.201 -12.581
170 HZ3 LYS 25 2HZ LYS 25 -7.661 4.427 -14.024
171 H SER 26 H SER 26 -8.288 0.757 -7.370
172 HA SER 26 HA SER 26 -7.208 2.863 -6.091
173 HB2 SER 26 1HB SER 26 -9.308 1.477 -5.490
174 HB3 SER 26 2HB SER 26 -8.226 0.558 -4.443
175 HG SER 26 HG SER 26 -8.327 3.372 -4.316
176 H SER 27 H SER 27 -5.934 -0.359 -6.109
177 HA SER 27 HA SER 27 -4.024 0.239 -3.986
178 HB2 SER 27 1HB SER 27 -4.626 -2.274 -5.552
179 HB3 SER 27 2HB SER 27 -3.291 -2.154 -4.406
180 HG SER 27 HG SER 27 -5.977 -2.421 -3.948
181 H LEU 28 H LEU 28 -3.964 -0.824 -7.386
182 HA LEU 28 HA LEU 28 -1.208 -0.677 -7.771
183 HB2 LEU 28 1HB LEU 28 -2.418 -1.765 -9.437
184 HB3 LEU 28 2HB LEU 28 -3.560 -0.433 -9.607
185 HG LEU 28 HG LEU 28 -1.678 0.905 -10.618
186 HD11 LEU 28 1HD1 LEU 28 -0.297 -1.677 -11.160
187 HD12 LEU 28 2HD1 LEU 28 0.013 -0.843 -9.638
188 HD13 LEU 28 3HD1 LEU 28 0.338 -0.031 -11.169
189 HD21 LEU 28 3HD2 LEU 28 -2.430 -1.619 -12.086
190 HD22 LEU 28 1HD2 LEU 28 -1.937 -0.082 -12.797
191 HD23 LEU 28 2HD2 LEU 28 -3.467 -0.201 -11.927
192 H ILE 29 H ILE 29 -3.686 1.780 -8.490
193 HA ILE 29 HA ILE 29 -2.145 3.791 -9.504
194 HB ILE 29 HB ILE 29 -4.424 4.100 -7.547
195 HG12 ILE 29 1HG1 ILE 29 -4.444 4.266 -10.565
196 HG13 ILE 29 2HG1 ILE 29 -4.885 2.821 -9.663
197 HG21 ILE 29 1HG2 ILE 29 -4.018 6.227 -9.492
198 HG22 ILE 29 2HG2 ILE 29 -4.308 6.320 -7.756
199 HG23 ILE 29 3HG2 ILE 29 -2.674 6.058 -8.363
200 HD11 ILE 29 3HD1 ILE 29 -6.275 5.486 -9.606
201 HD12 ILE 29 1HD1 ILE 29 -6.872 3.982 -10.306
202 HD13 ILE 29 2HD1 ILE 29 -6.676 4.125 -8.559
203 H CYS 30 H CYS 30 -2.856 3.324 -6.039
204 HA CYS 30 HA CYS 30 -1.293 5.377 -5.033
205 HB2 CYS 30 1HB CYS 30 -2.866 4.076 -3.666
206 HB3 CYS 30 2HB CYS 30 -1.815 2.670 -3.786
207 HG CYS 30 HG CYS 30 0.309 3.933 -2.397
208 H HIS 31 H HIS 31 -0.329 2.374 -6.420
209 HA HIS 31 HA HIS 31 2.365 2.534 -5.322
210 HB2 HIS 31 1HB HIS 31 1.659 0.311 -5.398
211 HB3 HIS 31 2HB HIS 31 0.877 0.509 -6.963
212 HD1 HIS 31 HD1 HIS 31 4.376 0.374 -5.497
213 HD2 HIS 31 HD2 HIS 31 2.378 -0.317 -9.073
214 HE1 HIS 31 HE1 HIS 31 6.093 -0.611 -7.047
215 H ARG 32 H ARG 32 0.618 3.268 -8.227
216 HA ARG 32 HA ARG 32 2.887 3.424 -9.953
217 HB2 ARG 32 1HB ARG 32 0.018 4.254 -10.128
218 HB3 ARG 32 2HB ARG 32 1.164 4.884 -11.304
219 HG2 ARG 32 1HG ARG 32 1.772 2.588 -11.922
220 HG3 ARG 32 2HG ARG 32 0.580 1.979 -10.772
221 HD2 ARG 32 1HD ARG 32 -1.210 3.017 -12.006
222 HD3 ARG 32 2HD ARG 32 -0.058 3.796 -13.091
223 HE ARG 32 HE ARG 32 0.087 0.913 -13.037
224 HH11 ARG 32 1HH1 ARG 32 -1.334 3.719 -14.530
225 HH12 ARG 32 2HH1 ARG 32 -1.722 2.898 -16.006
226 HH21 ARG 32 1HH2 ARG 32 -0.419 -0.179 -14.975
227 HH22 ARG 32 2HH2 ARG 32 -1.202 0.681 -16.257
228 H ARG 33 H ARG 33 1.256 5.630 -7.796
229 HA ARG 33 HA ARG 33 2.346 8.038 -8.800
230 HB2 ARG 33 1HB ARG 33 1.386 9.075 -6.967
231 HB3 ARG 33 2HB ARG 33 0.396 7.628 -7.112
232 HG2 ARG 33 1HG ARG 33 1.578 6.565 -5.321
233 HG3 ARG 33 2HG ARG 33 2.747 7.885 -5.252
234 HD2 ARG 33 1HD ARG 33 -0.148 8.505 -4.916
235 HD3 ARG 33 2HD ARG 33 0.722 7.762 -3.574
236 HE ARG 33 HE ARG 33 2.126 10.005 -4.620
237 HH11 ARG 33 1HH1 ARG 33 -0.545 9.092 -2.583
238 HH12 ARG 33 2HH1 ARG 33 -0.483 10.539 -1.632
239 HH21 ARG 33 1HH2 ARG 33 2.218 11.914 -3.375
240 HH22 ARG 33 2HH2 ARG 33 1.088 12.143 -2.083
241 H SER 34 H SER 34 3.485 5.670 -6.466
242 HA SER 34 HA SER 34 5.551 7.089 -5.277
243 HB2 SER 34 1HB SER 34 4.681 4.713 -4.764
244 HB3 SER 34 2HB SER 34 5.824 4.177 -5.996
245 HG SER 34 HG SER 34 6.322 4.706 -3.467
246 H HIS 35 H HIS 35 5.511 5.305 -8.328
247 HA HIS 35 HA HIS 35 8.258 5.545 -8.910
248 HB2 HIS 35 1HB HIS 35 5.895 5.246 -10.774
249 HB3 HIS 35 2HB HIS 35 7.579 5.059 -11.253
250 HD1 HIS 35 HD1 HIS 35 8.829 3.174 -9.491
251 HD2 HIS 35 HD2 HIS 35 4.777 2.837 -10.346
252 HE1 HIS 35 HE1 HIS 35 8.229 0.787 -8.976
253 H THR 36 H THR 36 5.471 7.529 -9.861
254 HA THR 36 HA THR 36 6.888 9.364 -11.450
255 HB THR 36 HB THR 36 4.336 9.797 -9.884
256 HG1 THR 36 HG1 THR 36 3.516 9.478 -12.151
257 HG21 THR 36 3HG2 THR 36 5.941 11.652 -11.297
258 HG22 THR 36 1HG2 THR 36 4.336 11.902 -10.612
259 HG23 THR 36 2HG2 THR 36 4.508 11.345 -12.277
260 H GLY 37 H GLY 37 8.630 10.410 -10.689
261 HA2 GLY 37 1HA GLY 37 8.685 12.624 -9.212
262 HA3 GLY 37 2HA GLY 37 8.668 11.401 -7.949
263 H GLU 38 H GLU 38 10.484 10.132 -7.596
264 HA GLU 38 HA GLU 38 12.962 11.318 -8.454
265 HB2 GLU 38 1HB GLU 38 12.328 10.236 -6.145
266 HB3 GLU 38 2HB GLU 38 12.824 8.745 -6.932
267 HG2 GLU 38 1HG GLU 38 15.006 9.846 -7.457
268 HG3 GLU 38 2HG GLU 38 14.493 11.197 -6.447
269 H LYS 39 H LYS 39 14.286 10.646 -10.021
270 HA LYS 39 HA LYS 39 14.042 7.930 -11.069
271 HB2 LYS 39 1HB LYS 39 12.657 9.807 -12.353
272 HB3 LYS 39 2HB LYS 39 14.226 10.118 -13.084
273 HG2 LYS 39 1HG LYS 39 13.295 7.307 -13.001
274 HG3 LYS 39 2HG LYS 39 12.487 8.408 -14.120
275 HD2 LYS 39 1HD LYS 39 14.995 9.055 -14.697
276 HD3 LYS 39 2HD LYS 39 15.290 7.417 -14.109
277 HE2 LYS 39 1HE LYS 39 13.467 6.663 -15.690
278 HE3 LYS 39 2HE LYS 39 13.521 8.282 -16.387
279 HZ1 LYS 39 3HZ LYS 39 15.715 7.958 -17.113
280 HZ2 LYS 39 1HZ LYS 39 14.907 6.528 -17.517
281 HZ3 LYS 39 2HZ LYS 39 15.927 6.571 -16.169
282 HA PRO 40 HA PRO 40 18.445 8.326 -10.990
283 HB2 PRO 40 1HB PRO 40 19.030 6.065 -12.375
284 HB3 PRO 40 2HB PRO 40 18.482 6.048 -10.694
285 HG2 PRO 40 1HG PRO 40 16.919 5.565 -13.201
286 HG3 PRO 40 2HG PRO 40 16.864 4.686 -11.662
287 HD2 PRO 40 1HD PRO 40 15.014 6.541 -12.348
288 HD3 PRO 40 2HD PRO 40 15.510 6.263 -10.666
289 H SER 41 H SER 41 16.511 8.927 -13.569
290 HA SER 41 HA SER 41 17.722 8.677 -15.924
291 HB2 SER 41 1HB SER 41 17.150 11.290 -16.188
292 HB3 SER 41 2HB SER 41 15.904 10.042 -16.156
293 HG SER 41 HG SER 41 16.752 11.097 -13.716
294 H GLY 42 H GLY 42 19.846 8.611 -16.318
295 HA2 GLY 42 1HA GLY 42 21.540 10.757 -15.215
296 HA3 GLY 42 2HA GLY 42 22.115 9.171 -15.707
297 HA PRO 43 HA PRO 43 21.276 11.859 -19.678
298 HB2 PRO 43 1HB PRO 43 21.366 14.538 -19.245
299 HB3 PRO 43 2HB PRO 43 19.866 13.605 -19.187
300 HG2 PRO 43 1HG PRO 43 21.600 14.544 -16.935
301 HG3 PRO 43 2HG PRO 43 19.832 14.560 -17.067
302 HD2 PRO 43 1HD PRO 43 21.171 12.671 -15.663
303 HD3 PRO 43 2HD PRO 43 19.644 12.333 -16.503
304 H SER 44 H SER 44 22.784 13.235 -20.964
305 HA SER 44 HA SER 44 25.486 12.716 -20.156
306 HB2 SER 44 1HB SER 44 24.198 13.904 -22.595
307 HB3 SER 44 2HB SER 44 25.942 14.031 -22.364
308 HG SER 44 HG SER 44 25.773 11.641 -21.995
309 H SER 45 H SER 45 26.881 14.045 -19.192
310 HA SER 45 HA SER 45 27.610 15.852 -17.995
311 HB2 SER 45 1HB SER 45 28.095 16.413 -20.443
312 HB3 SER 45 2HB SER 45 26.689 17.475 -20.366
313 HG SER 45 HG SER 45 28.802 18.447 -19.882
314 H GLY 46 H GLY 46 24.972 15.118 -17.339
315 HA2 GLY 46 1HA GLY 46 23.039 17.087 -17.358
316 HA3 GLY 46 2HA GLY 46 23.246 15.927 -16.055