Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
548024 | 2liy RC | 11452 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 H1 ILE 1 4.727 7.983 -4.695
2 H2 ILE 1 H2 ILE 1 5.734 9.138 -3.960
3 H3 ILE 1 H3 ILE 1 5.741 8.952 -5.648
4 HA ILE 1 HA ILE 1 4.477 10.904 -5.193
5 HB ILE 1 HB ILE 1 2.740 8.467 -5.721
6 HG12 ILE 1 HG13 ILE 1 3.314 9.604 -8.147
7 HG13 ILE 1 HG12 ILE 1 4.818 9.894 -7.273
8 HG21 ILE 1 HG21 ILE 1 1.493 10.199 -7.155
9 HG22 ILE 1 HG22 ILE 1 2.380 11.423 -6.247
10 HG23 ILE 1 HG23 ILE 1 1.284 10.325 -5.408
11 HD11 ILE 1 HD11 ILE 1 4.704 7.420 -6.586
12 HD12 ILE 1 HD12 ILE 1 5.098 7.756 -8.272
13 HD13 ILE 1 HD13 ILE 1 3.466 7.251 -7.831
14 H GLY 2 H GLY 2 3.317 8.095 -3.317
15 HA2 GLY 2 HA3 GLY 2 2.058 10.026 -1.407
16 HA3 GLY 2 HA2 GLY 2 1.399 8.420 -1.723
17 H SER 3 H SER 3 2.305 6.641 -0.672
18 HA SER 3 HA SER 3 4.588 7.215 1.190
19 HB2 SER 3 HB3 SER 3 2.001 5.696 1.635
20 HB3 SER 3 HB2 SER 3 3.339 5.707 2.781
21 HG SER 3 HG SER 3 1.733 7.865 1.896
22 H THR 4 H THR 4 2.644 4.411 0.077
23 HA THR 4 HA THR 4 5.104 2.767 -0.048
24 HB THR 4 HB THR 4 2.312 1.910 -0.687
25 HG1 THR 4 HG1 THR 4 2.017 2.926 1.217
26 HG21 THR 4 HG21 THR 4 3.362 -0.060 0.779
27 HG22 THR 4 HG22 THR 4 4.862 0.654 0.185
28 HG23 THR 4 HG23 THR 4 3.653 0.065 -0.956
29 H ALA 5 H ALA 5 5.743 4.277 -1.979
30 HA ALA 5 HA ALA 5 4.382 4.119 -4.488
31 HB1 ALA 5 HB1 ALA 5 5.964 5.735 -4.659
32 HB2 ALA 5 HB2 ALA 5 7.091 4.431 -5.033
33 HB3 ALA 5 HB3 ALA 5 6.938 5.015 -3.377
34 HA PRO 6 HA PRO 6 7.239 0.450 -5.538
35 HB2 PRO 6 HB2 PRO 6 8.844 -0.591 -3.593
36 HB3 PRO 6 HB3 PRO 6 9.344 0.755 -4.635
37 HG2 PRO 6 HG3 PRO 6 8.442 0.782 -1.817
38 HG3 PRO 6 HG2 PRO 6 9.604 1.827 -2.645
39 HD2 PRO 6 HD3 PRO 6 6.981 2.500 -2.029
40 HD3 PRO 6 HD2 PRO 6 8.005 3.322 -3.225
41 H THR 7 H THR 7 4.658 0.319 -4.438
42 HA THR 7 HA THR 7 3.096 -1.128 -3.408
43 HB THR 7 HB THR 7 3.367 -3.347 -4.258
44 HG1 THR 7 HG1 THR 7 5.440 -4.051 -4.952
45 HG21 THR 7 HG21 THR 7 3.401 -1.260 -5.875
46 HG22 THR 7 HG22 THR 7 3.619 -2.891 -6.509
47 HG23 THR 7 HG23 THR 7 5.020 -1.854 -6.246
48 H CYS 8 H CYS 8 3.489 -3.628 -2.199
49 HA CYS 8 HA CYS 8 4.921 -2.841 0.267
50 HB2 CYS 8 HB3 CYS 8 2.408 -3.603 0.003
51 HB3 CYS 8 HB2 CYS 8 3.116 -5.217 -0.023
52 H THR 9 H THR 9 5.745 -4.290 -2.449
53 HA THR 9 HA THR 9 7.412 -5.812 -3.077
54 HB THR 9 HB THR 9 9.131 -6.184 -1.522
55 HG1 THR 9 HG1 THR 9 7.449 -5.817 0.693
56 HG21 THR 9 HG21 THR 9 8.203 -3.696 -1.719
57 HG22 THR 9 HG22 THR 9 9.537 -4.092 -0.634
58 HG23 THR 9 HG23 THR 9 7.900 -3.928 0.003
59 H TYR 10 H TYR 10 6.763 -7.749 -3.794
60 HA TYR 10 HA TYR 10 4.643 -9.274 -3.145
61 HB2 TYR 10 HB3 TYR 10 5.600 -10.775 -4.577
62 HB3 TYR 10 HB2 TYR 10 6.817 -9.516 -4.753
63 HD1 TYR 10 HD2 TYR 10 5.996 -12.706 -3.056
64 HD2 TYR 10 HD1 TYR 10 9.040 -9.782 -3.858
65 HE1 TYR 10 HE2 TYR 10 7.716 -14.254 -2.166
66 HE2 TYR 10 HE1 TYR 10 10.761 -11.331 -2.968
67 HH TYR 10 HH TYR 10 11.009 -13.232 -1.626
68 H ASN 11 H ASN 11 7.585 -9.254 -1.148
69 HA ASN 11 HA ASN 11 7.080 -11.619 0.363
70 HB2 ASN 11 HB3 ASN 11 8.606 -9.080 0.610
71 HB3 ASN 11 HB2 ASN 11 8.245 -9.884 2.136
72 HD21 ASN 11 HD22 ASN 11 10.846 -9.972 1.793
73 HD22 ASN 11 HD21 ASN 11 11.404 -11.426 1.116
74 H GLU 12 H GLU 12 5.570 -8.497 0.314
75 HA GLU 12 HA GLU 12 4.385 -8.310 2.835
76 HB2 GLU 12 HB3 GLU 12 2.520 -7.160 1.499
77 HB3 GLU 12 HB2 GLU 12 4.148 -6.548 1.227
78 HG2 GLU 12 HG3 GLU 12 3.738 -6.861 -0.983
79 HG3 GLU 12 HG2 GLU 12 3.937 -8.586 -0.647
80 H CYS 13 H CYS 13 3.617 -10.399 0.132
81 HA CYS 13 HA CYS 13 1.232 -11.510 1.517
82 HB2 CYS 13 HB3 CYS 13 0.617 -12.203 -0.649
83 HB3 CYS 13 HB2 CYS 13 1.461 -10.689 -0.947
84 H ARG 14 H ARG 14 4.162 -12.078 2.273
85 HA ARG 14 HA ARG 14 5.119 -14.574 1.473
86 HB2 ARG 14 HB3 ARG 14 5.828 -12.746 3.279
87 HB3 ARG 14 HB2 ARG 14 5.081 -13.893 4.385
88 HG2 ARG 14 HG3 ARG 14 6.996 -14.930 2.331
89 HG3 ARG 14 HG2 ARG 14 7.645 -14.110 3.750
90 HD2 ARG 14 HD3 ARG 14 7.318 -15.976 4.988
91 HD3 ARG 14 HD2 ARG 14 5.586 -15.941 4.600
92 HE ARG 14 HE ARG 14 6.220 -17.099 2.427
93 HH11 ARG 14 HH11 ARG 14 9.217 -16.805 3.009
94 HH12 ARG 14 HH12 ARG 14 9.611 -18.417 3.503
95 HH21 ARG 14 HH22 ARG 14 6.311 -19.354 4.008
96 HH22 ARG 14 HH21 ARG 14 7.967 -19.859 4.071
97 H GLY 15 H GLY 15 3.643 -16.243 1.115
98 HA2 GLY 15 HA3 GLY 15 2.905 -18.131 2.868
99 HA3 GLY 15 HA2 GLY 15 1.672 -16.918 3.217
100 H CYS 16 H CYS 16 0.658 -16.013 1.048
101 HA CYS 16 HA CYS 16 -0.804 -18.111 -0.198
102 HB2 CYS 16 HB3 CYS 16 -1.547 -16.247 -1.660
103 HB3 CYS 16 HB2 CYS 16 -1.517 -15.765 0.031
104 H ARG 17 H ARG 17 -0.670 -17.332 -2.970
105 HA ARG 17 HA ARG 17 2.062 -17.700 -3.951
106 HB2 ARG 17 HB3 ARG 17 1.574 -19.963 -4.896
107 HB3 ARG 17 HB2 ARG 17 1.539 -19.948 -3.134
108 HG2 ARG 17 HG3 ARG 17 -1.043 -19.352 -4.464
109 HG3 ARG 17 HG2 ARG 17 -0.450 -21.001 -4.661
110 HD2 ARG 17 HD3 ARG 17 0.009 -20.734 -2.025
111 HD3 ARG 17 HD2 ARG 17 -1.349 -19.601 -2.184
112 HE ARG 17 HE ARG 17 -2.462 -21.573 -3.487
113 HH11 ARG 17 HH22 ARG 17 -1.833 -21.478 -0.308
114 HH12 ARG 17 HH21 ARG 17 -1.701 -23.185 -0.045
115 HH21 ARG 17 HH11 ARG 17 -1.587 -23.964 -3.422
116 HH22 ARG 17 HH12 ARG 17 -1.560 -24.592 -1.808
117 H TYR 18 H TYR 18 0.269 -15.697 -4.593
118 HA TYR 18 HA TYR 18 -0.439 -16.361 -7.430
119 HB2 TYR 18 HB3 TYR 18 -2.079 -14.958 -5.299
120 HB3 TYR 18 HB2 TYR 18 -2.486 -14.902 -7.011
121 HD1 TYR 18 HD1 TYR 18 -2.217 -17.403 -8.150
122 HD2 TYR 18 HD2 TYR 18 -3.302 -16.526 -4.087
123 HE1 TYR 18 HE1 TYR 18 -3.351 -19.601 -7.978
124 HE2 TYR 18 HE2 TYR 18 -4.435 -18.724 -3.914
125 HH TYR 18 HH TYR 18 -5.537 -20.370 -5.722
126 H LYS 19 H LYS 19 -1.516 -13.625 -7.766
127 HA LYS 19 HA LYS 19 1.026 -12.219 -8.198
128 HB2 LYS 19 HB3 LYS 19 -1.854 -11.344 -8.618
129 HB3 LYS 19 HB2 LYS 19 -0.425 -10.623 -9.355
130 HG2 LYS 19 HG3 LYS 19 -1.199 -13.526 -9.746
131 HG3 LYS 19 HG2 LYS 19 -1.690 -12.239 -10.847
132 HD2 LYS 19 HD3 LYS 19 0.267 -12.764 -11.905
133 HD3 LYS 19 HD2 LYS 19 0.971 -11.723 -10.667
134 HE2 LYS 19 HE3 LYS 19 2.262 -13.712 -10.523
135 HE3 LYS 19 HE2 LYS 19 1.069 -13.908 -9.226
136 HZ1 LYS 19 HZ1 LYS 19 0.947 -15.879 -10.478
137 HZ2 LYS 19 HZ2 LYS 19 0.995 -15.051 -11.958
138 HZ3 LYS 19 HZ3 LYS 19 -0.391 -14.960 -10.980
139 H CYS 20 H CYS 20 1.859 -10.700 -6.796
140 HA CYS 20 HA CYS 20 0.123 -9.836 -4.509
141 HB2 CYS 20 HB3 CYS 20 3.148 -9.915 -4.708
142 HB3 CYS 20 HB2 CYS 20 2.181 -9.741 -3.244
143 H ARG 21 H ARG 21 -0.086 -7.639 -4.085
144 HA ARG 21 HA ARG 21 1.684 -5.631 -5.256
145 HB2 ARG 21 HB3 ARG 21 -0.146 -6.658 -6.963
146 HB3 ARG 21 HB2 ARG 21 -1.099 -5.383 -6.214
147 HG2 ARG 21 HG3 ARG 21 -0.126 -3.983 -7.696
148 HG3 ARG 21 HG2 ARG 21 1.314 -4.124 -6.688
149 HD2 ARG 21 HD3 ARG 21 2.412 -5.356 -8.256
150 HD3 ARG 21 HD2 ARG 21 0.988 -6.371 -8.568
151 HE ARG 21 HE ARG 21 1.426 -3.666 -9.769
152 HH11 ARG 21 HH22 ARG 21 1.544 -6.285 -11.330
153 HH12 ARG 21 HH21 ARG 21 -0.021 -6.303 -12.071
154 HH21 ARG 21 HH11 ARG 21 -1.330 -3.868 -9.976
155 HH22 ARG 21 HH12 ARG 21 -1.649 -4.933 -11.305
156 H ALA 22 H ALA 22 1.148 -3.503 -4.467
157 HA ALA 22 HA ALA 22 -0.906 -3.495 -2.280
158 HB1 ALA 22 HB1 ALA 22 1.614 -3.580 -1.728
159 HB2 ALA 22 HB2 ALA 22 0.673 -2.314 -0.941
160 HB3 ALA 22 HB3 ALA 22 1.679 -1.926 -2.336
161 H GLU 23 H GLU 23 -2.054 -1.461 -2.045
162 HA GLU 23 HA GLU 23 -1.491 0.657 -4.054
163 HB2 GLU 23 HB3 GLU 23 -3.842 0.486 -4.875
164 HB3 GLU 23 HB2 GLU 23 -2.919 -0.984 -5.184
165 HG2 GLU 23 HG3 GLU 23 -3.890 -2.042 -3.195
166 HG3 GLU 23 HG2 GLU 23 -4.776 -0.564 -2.824
167 H GLN 24 H GLN 24 -2.995 2.555 -3.703
168 HA GLN 24 HA GLN 24 -3.163 3.197 -0.877
169 HB2 GLN 24 HB3 GLN 24 -2.613 4.638 -2.999
170 HB3 GLN 24 HB2 GLN 24 -4.366 4.792 -3.126
171 HG2 GLN 24 HG3 GLN 24 -4.124 5.366 -0.527
172 HG3 GLN 24 HG2 GLN 24 -2.515 5.866 -1.045
173 HE21 GLN 24 HE22 GLN 24 -2.484 7.426 -2.987
174 HE22 GLN 24 HE21 GLN 24 -3.754 8.546 -3.113
175 H VAL 25 H VAL 25 -5.073 3.464 0.342
176 HA VAL 25 HA VAL 25 -7.665 2.786 -0.983
177 HB VAL 25 HB VAL 25 -6.427 1.542 1.494
178 HG11 VAL 25 HG11 VAL 25 -9.211 1.348 0.326
179 HG12 VAL 25 HG12 VAL 25 -8.755 1.774 1.976
180 HG13 VAL 25 HG13 VAL 25 -8.552 0.117 1.403
181 HG21 VAL 25 HG21 VAL 25 -5.572 0.197 -0.137
182 HG22 VAL 25 HG22 VAL 25 -6.726 0.766 -1.342
183 HG23 VAL 25 HG23 VAL 25 -7.199 -0.480 -0.188
184 HA PRO 26 HA PRO 26 -8.094 6.452 1.733
185 HB2 PRO 26 HB2 PRO 26 -9.941 7.713 0.155
186 HB3 PRO 26 HB3 PRO 26 -8.191 7.842 -0.114
187 HG2 PRO 26 HG3 PRO 26 -10.203 6.164 -1.521
188 HG3 PRO 26 HG2 PRO 26 -8.796 7.022 -2.167
189 HD2 PRO 26 HD3 PRO 26 -8.846 4.332 -1.685
190 HD3 PRO 26 HD2 PRO 26 -7.365 5.312 -1.668
191 H VAL 27 H VAL 27 -9.993 7.132 2.987
192 HA VAL 27 HA VAL 27 -12.329 5.263 2.795
193 HB VAL 27 HB VAL 27 -10.703 4.602 4.552
194 HG11 VAL 27 HG11 VAL 27 -10.204 6.053 6.409
195 HG12 VAL 27 HG12 VAL 27 -11.354 7.263 5.842
196 HG13 VAL 27 HG13 VAL 27 -9.873 6.961 4.934
197 HG21 VAL 27 HG21 VAL 27 -12.334 4.724 6.495
198 HG22 VAL 27 HG22 VAL 27 -13.009 4.080 4.998
199 HG23 VAL 27 HG23 VAL 27 -13.352 5.741 5.476
200 H GLU 28 H GLU 28 -11.097 8.381 3.992
201 HA GLU 28 HA GLU 28 -13.819 9.375 4.469
202 HB2 GLU 28 HB3 GLU 28 -11.190 9.855 5.426
203 HB3 GLU 28 HB2 GLU 28 -11.737 11.355 4.676
204 HG2 GLU 28 HG3 GLU 28 -13.348 9.782 6.706
205 HG3 GLU 28 HG2 GLU 28 -12.350 11.183 7.100
206 H GLY 29 H GLY 29 -13.357 8.739 1.741
207 HA2 GLY 29 HA3 GLY 29 -13.547 9.668 -0.403
208 HA3 GLY 29 HA2 GLY 29 -14.237 11.070 0.413
209 H ASN 30 H ASN 30 -13.172 12.875 -0.194
210 HA ASN 30 HA ASN 30 -10.346 13.212 0.231
211 HB2 ASN 30 HB3 ASN 30 -9.699 13.387 -2.154
212 HB3 ASN 30 HB2 ASN 30 -10.312 11.777 -1.779
213 HD21 ASN 30 HD22 ASN 30 -10.360 12.940 -4.450
214 HD22 ASN 30 HD21 ASN 30 -11.989 13.119 -4.895
215 H ASP 31 H ASP 31 -13.350 14.326 -1.151
216 HA ASP 31 HA ASP 31 -12.830 16.922 -1.995
217 HB2 ASP 31 HB3 ASP 31 -15.065 15.465 -0.691
218 HB3 ASP 31 HB2 ASP 31 -15.190 17.224 -0.708
219 HA PRO 32 HA PRO 32 -13.143 18.573 2.493
220 HB2 PRO 32 HB2 PRO 32 -12.999 16.760 4.541
221 HB3 PRO 32 HB3 PRO 32 -14.531 17.270 3.802
222 HG2 PRO 32 HG3 PRO 32 -12.942 14.795 3.349
223 HG3 PRO 32 HG2 PRO 32 -14.697 15.008 3.447
224 HD2 PRO 32 HD3 PRO 32 -13.353 14.730 1.100
225 HD3 PRO 32 HD2 PRO 32 -14.875 15.634 1.250
226 H ILE 33 H ILE 33 -11.527 18.045 4.703
227 HA ILE 33 HA ILE 33 -8.917 18.605 3.856
228 HB ILE 33 HB ILE 33 -9.847 18.858 6.140
229 HG12 ILE 33 HG13 ILE 33 -7.813 17.717 7.340
230 HG13 ILE 33 HG12 ILE 33 -7.301 17.315 5.701
231 HG21 ILE 33 HG21 ILE 33 -9.320 15.980 6.729
232 HG22 ILE 33 HG22 ILE 33 -10.817 16.375 5.886
233 HG23 ILE 33 HG23 ILE 33 -10.481 17.083 7.466
234 HD11 ILE 33 HD11 ILE 33 -7.788 19.857 5.230
235 HD12 ILE 33 HD12 ILE 33 -6.276 19.389 6.008
236 HD13 ILE 33 HD13 ILE 33 -7.610 20.015 6.977
237 H ASN 34 H ASN 34 -7.043 17.325 3.523
238 HA ASN 34 HA ASN 34 -7.575 14.511 2.718
239 HB2 ASN 34 HB3 ASN 34 -5.395 16.554 2.247
240 HB3 ASN 34 HB2 ASN 34 -5.204 14.869 1.763
241 HD21 ASN 34 HD22 ASN 34 -5.429 15.027 -0.508
242 HD22 ASN 34 HD21 ASN 34 -6.798 15.673 -1.277
243 H SER 35 H SER 35 -7.522 13.368 4.707
244 HA SER 35 HA SER 35 -4.858 12.907 5.840
245 HB2 SER 35 HB3 SER 35 -6.687 14.842 6.938
246 HB3 SER 35 HB2 SER 35 -6.429 13.548 8.100
247 HG SER 35 HG SER 35 -4.503 14.306 8.412
248 H ALA 36 H ALA 36 -6.268 10.990 4.621
249 HA ALA 36 HA ALA 36 -6.852 9.075 6.712
250 HB1 ALA 36 HB1 ALA 36 -9.178 9.827 4.949
251 HB2 ALA 36 HB2 ALA 36 -8.879 10.688 6.459
252 HB3 ALA 36 HB3 ALA 36 -9.201 8.954 6.482
253 H TYR 37 H TYR 37 -5.057 8.997 4.576
254 HA TYR 37 HA TYR 37 -6.299 6.938 2.777
255 HB2 TYR 37 HB3 TYR 37 -4.040 8.804 2.027
256 HB3 TYR 37 HB2 TYR 37 -5.086 7.879 0.952
257 HD1 TYR 37 HD2 TYR 37 -7.770 8.393 1.780
258 HD2 TYR 37 HD1 TYR 37 -4.424 11.085 1.776
259 HE1 TYR 37 HE2 TYR 37 -9.321 10.323 1.641
260 HE2 TYR 37 HE1 TYR 37 -5.974 13.014 1.638
261 HH TYR 37 HH TYR 37 -9.299 12.741 2.209
262 H HIS 38 H HIS 38 -5.382 4.982 3.325
263 HA HIS 38 HA HIS 38 -2.535 4.961 4.228
264 HB2 HIS 38 HB3 HIS 38 -3.312 2.693 5.149
265 HB3 HIS 38 HB2 HIS 38 -3.966 4.121 5.927
266 HD1 HIS 38 HD1 HIS 38 -4.898 1.247 3.704
267 HD2 HIS 38 HD2 HIS 38 -6.757 4.537 5.466
268 HE1 HIS 38 HE1 HIS 38 -7.391 0.891 3.435
269 H TYR 39 H TYR 39 -1.817 2.427 3.843
270 HA TYR 39 HA TYR 39 -2.370 1.735 0.982
271 HB2 TYR 39 HB3 TYR 39 0.052 2.774 2.246
272 HB3 TYR 39 HB2 TYR 39 0.347 1.225 1.457
273 HD1 TYR 39 HD1 TYR 39 -0.277 0.932 -0.974
274 HD2 TYR 39 HD2 TYR 39 -0.311 4.758 0.978
275 HE1 TYR 39 HE1 TYR 39 -0.255 2.058 -3.183
276 HE2 TYR 39 HE2 TYR 39 -0.290 5.885 -1.231
277 HH TYR 39 HH TYR 39 -0.790 5.468 -3.513
278 H ARG 40 H ARG 40 -2.374 -0.520 0.617
279 HA ARG 40 HA ARG 40 -1.517 -2.277 2.881
280 HB2 ARG 40 HB3 ARG 40 -3.698 -3.545 2.414
281 HB3 ARG 40 HB2 ARG 40 -3.866 -1.979 3.204
282 HG2 ARG 40 HG3 ARG 40 -4.493 -0.913 1.144
283 HG3 ARG 40 HG2 ARG 40 -4.072 -2.346 0.207
284 HD2 ARG 40 HD3 ARG 40 -6.283 -2.226 2.292
285 HD3 ARG 40 HD2 ARG 40 -6.530 -2.198 0.535
286 HE ARG 40 HE ARG 40 -5.018 -4.422 0.768
287 HH11 ARG 40 HH11 ARG 40 -6.270 -3.898 3.697
288 HH12 ARG 40 HH12 ARG 40 -7.425 -5.188 3.699
289 HH21 ARG 40 HH22 ARG 40 -7.114 -5.828 0.306
290 HH22 ARG 40 HH21 ARG 40 -7.900 -6.282 1.780
291 H CYS 41 H CYS 41 -1.379 -4.601 2.141
292 HA CYS 41 HA CYS 41 -0.507 -4.732 -0.713
293 HB2 CYS 41 HB3 CYS 41 0.410 -6.910 0.969
294 HB3 CYS 41 HB2 CYS 41 1.347 -5.718 0.095
295 H VAL 42 H VAL 42 -1.550 -6.229 -2.034
296 HA VAL 42 HA VAL 42 -3.433 -8.134 -0.707
297 HB VAL 42 HB VAL 42 -4.806 -7.704 -2.763
298 HG11 VAL 42 HG11 VAL 42 -4.103 -5.604 -0.758
299 HG12 VAL 42 HG12 VAL 42 -5.617 -6.484 -0.968
300 HG13 VAL 42 HG13 VAL 42 -5.198 -5.175 -2.074
301 HG21 VAL 42 HG21 VAL 42 -2.665 -6.837 -3.990
302 HG22 VAL 42 HG22 VAL 42 -3.081 -5.296 -3.241
303 HG23 VAL 42 HG23 VAL 42 -4.217 -6.079 -4.340
304 H CYS 43 H CYS 43 -3.741 -10.153 -1.856
305 HA CYS 43 HA CYS 43 -1.658 -10.780 -3.881
306 HB2 CYS 43 HB3 CYS 43 -1.268 -11.568 -1.485
307 HB3 CYS 43 HB2 CYS 43 -2.656 -12.629 -1.711
308 H HIS 44 H HIS 44 -3.269 -10.580 -5.577
309 HA HIS 44 HA HIS 44 -5.501 -12.578 -5.459
310 HB2 HIS 44 HB3 HIS 44 -5.089 -10.145 -7.228
311 HB3 HIS 44 HB2 HIS 44 -6.554 -11.119 -7.131
312 HD1 HIS 44 HD1 HIS 44 -6.284 -11.392 -3.905
313 HD2 HIS 44 HD2 HIS 44 -6.417 -7.862 -6.119
314 HE1 HIS 44 HE1 HIS 44 -7.078 -9.582 -2.323
315 H ARG 45 H ARG 45 -6.035 -13.391 -7.804
316 HA ARG 45 HA ARG 45 -3.620 -14.640 -8.869
317 HB2 ARG 45 HB3 ARG 45 -5.702 -15.885 -8.580
318 HB3 ARG 45 HB2 ARG 45 -6.559 -14.739 -9.612
319 HG2 ARG 45 HG3 ARG 45 -4.136 -16.026 -10.768
320 HG3 ARG 45 HG2 ARG 45 -5.556 -17.051 -10.557
321 HD2 ARG 45 HD3 ARG 45 -6.773 -15.919 -12.152
322 HD3 ARG 45 HD2 ARG 45 -6.021 -14.359 -11.763
323 HE ARG 45 HE ARG 45 -3.951 -15.225 -12.918
324 HH11 ARG 45 HH11 ARG 45 -6.620 -15.072 -14.630
325 HH12 ARG 45 HH12 ARG 45 -6.367 -16.453 -15.645
326 HH21 ARG 45 HH22 ARG 45 -3.779 -17.725 -13.720
327 HH22 ARG 45 HH21 ARG 45 -4.759 -17.955 -15.130
Start of MODEL 2
1 H1 ILE 1 H1 ILE 1 10.767 12.231 -12.230
2 H2 ILE 1 H2 ILE 1 11.073 12.366 -13.895
3 H3 ILE 1 H3 ILE 1 10.577 10.881 -13.237
4 HA ILE 1 HA ILE 1 8.787 13.160 -12.821
5 HB ILE 1 HB ILE 1 7.875 12.787 -15.132
6 HG12 ILE 1 HG13 ILE 1 9.980 11.760 -16.567
7 HG13 ILE 1 HG12 ILE 1 10.034 10.771 -15.109
8 HG21 ILE 1 HG21 ILE 1 10.742 13.535 -15.513
9 HG22 ILE 1 HG22 ILE 1 9.783 14.490 -14.381
10 HG23 ILE 1 HG23 ILE 1 9.284 14.357 -16.068
11 HD11 ILE 1 HD11 ILE 1 8.469 9.543 -16.243
12 HD12 ILE 1 HD12 ILE 1 7.951 10.916 -17.221
13 HD13 ILE 1 HD13 ILE 1 7.371 10.746 -15.564
14 H GLY 2 H GLY 2 6.983 12.282 -11.889
15 HA2 GLY 2 HA3 GLY 2 5.221 10.691 -11.609
16 HA3 GLY 2 HA2 GLY 2 6.124 9.550 -12.606
17 H SER 3 H SER 3 5.537 10.655 -9.376
18 HA SER 3 HA SER 3 7.701 8.928 -8.273
19 HB2 SER 3 HB3 SER 3 5.785 10.944 -7.059
20 HB3 SER 3 HB2 SER 3 7.030 10.086 -6.154
21 HG SER 3 HG SER 3 8.581 11.046 -7.491
22 H THR 4 H THR 4 6.803 6.822 -8.559
23 HA THR 4 HA THR 4 4.079 6.256 -7.575
24 HB THR 4 HB THR 4 6.213 4.444 -8.670
25 HG1 THR 4 HG1 THR 4 5.856 5.774 -10.305
26 HG21 THR 4 HG21 THR 4 4.574 3.060 -7.739
27 HG22 THR 4 HG22 THR 4 4.030 3.222 -9.410
28 HG23 THR 4 HG23 THR 4 3.272 4.182 -8.138
29 H ALA 5 H ALA 5 3.840 4.300 -6.090
30 HA ALA 5 HA ALA 5 5.439 4.685 -3.685
31 HB1 ALA 5 HB1 ALA 5 3.177 2.908 -4.586
32 HB2 ALA 5 HB2 ALA 5 3.150 4.196 -3.381
33 HB3 ALA 5 HB3 ALA 5 3.940 2.662 -3.015
34 HA PRO 6 HA PRO 6 8.392 1.470 -4.262
35 HB2 PRO 6 HB2 PRO 6 8.656 0.482 -1.731
36 HB3 PRO 6 HB3 PRO 6 9.285 2.070 -2.216
37 HG2 PRO 6 HG3 PRO 6 6.832 1.392 -0.687
38 HG3 PRO 6 HG2 PRO 6 7.935 2.766 -0.507
39 HD2 PRO 6 HD3 PRO 6 5.487 2.888 -1.757
40 HD3 PRO 6 HD2 PRO 6 6.831 4.011 -2.061
41 H THR 7 H THR 7 5.198 0.781 -3.754
42 HA THR 7 HA THR 7 3.894 -1.162 -3.934
43 HB THR 7 HB THR 7 4.726 -2.724 -5.443
44 HG1 THR 7 HG1 THR 7 6.402 -3.654 -4.504
45 HG21 THR 7 HG21 THR 7 6.797 -0.702 -6.076
46 HG22 THR 7 HG22 THR 7 5.116 -0.173 -6.031
47 HG23 THR 7 HG23 THR 7 5.604 -1.463 -7.130
48 H CYS 8 H CYS 8 3.296 -2.578 -2.357
49 HA CYS 8 HA CYS 8 4.974 -3.085 -0.122
50 HB2 CYS 8 HB3 CYS 8 3.170 -4.710 0.469
51 HB3 CYS 8 HB2 CYS 8 2.497 -3.175 -0.076
52 H THR 9 H THR 9 6.924 -4.113 -0.571
53 HA THR 9 HA THR 9 7.566 -5.844 -2.628
54 HB THR 9 HB THR 9 9.305 -6.688 -1.040
55 HG1 THR 9 HG1 THR 9 9.041 -6.453 1.047
56 HG21 THR 9 HG21 THR 9 10.399 -4.645 -0.979
57 HG22 THR 9 HG22 THR 9 8.969 -3.780 -0.417
58 HG23 THR 9 HG23 THR 9 9.101 -4.258 -2.108
59 H TYR 10 H TYR 10 6.487 -7.609 -3.283
60 HA TYR 10 HA TYR 10 4.416 -8.994 -2.264
61 HB2 TYR 10 HB3 TYR 10 5.197 -9.607 -4.389
62 HB3 TYR 10 HB2 TYR 10 6.848 -9.853 -3.826
63 HD1 TYR 10 HD2 TYR 10 7.455 -11.898 -2.557
64 HD2 TYR 10 HD1 TYR 10 3.539 -11.362 -4.237
65 HE1 TYR 10 HE2 TYR 10 7.006 -14.321 -2.281
66 HE2 TYR 10 HE1 TYR 10 3.089 -13.785 -3.962
67 HH TYR 10 HH TYR 10 5.149 -15.837 -2.115
68 H ASN 11 H ASN 11 7.717 -9.331 -0.996
69 HA ASN 11 HA ASN 11 7.530 -11.747 0.445
70 HB2 ASN 11 HB3 ASN 11 9.416 -9.916 0.120
71 HB3 ASN 11 HB2 ASN 11 8.761 -9.267 1.625
72 HD21 ASN 11 HD22 ASN 11 9.769 -12.468 0.278
73 HD22 ASN 11 HD21 ASN 11 10.475 -13.013 1.722
74 H GLU 12 H GLU 12 5.937 -8.682 0.898
75 HA GLU 12 HA GLU 12 5.252 -8.830 3.631
76 HB2 GLU 12 HB3 GLU 12 3.848 -7.724 1.183
77 HB3 GLU 12 HB2 GLU 12 3.270 -7.427 2.820
78 HG2 GLU 12 HG3 GLU 12 5.963 -6.611 1.669
79 HG3 GLU 12 HG2 GLU 12 4.641 -5.543 2.132
80 H CYS 13 H CYS 13 3.438 -9.945 0.754
81 HA CYS 13 HA CYS 13 1.322 -11.293 2.136
82 HB2 CYS 13 HB3 CYS 13 2.533 -11.140 -0.564
83 HB3 CYS 13 HB2 CYS 13 1.673 -12.642 -0.236
84 H ARG 14 H ARG 14 3.924 -12.889 0.297
85 HA ARG 14 HA ARG 14 4.934 -14.996 0.591
86 HB2 ARG 14 HB3 ARG 14 5.976 -13.283 2.144
87 HB3 ARG 14 HB2 ARG 14 5.000 -13.975 3.432
88 HG2 ARG 14 HG3 ARG 14 6.642 -15.480 3.722
89 HG3 ARG 14 HG2 ARG 14 6.180 -16.171 2.172
90 HD2 ARG 14 HD3 ARG 14 7.691 -14.203 1.216
91 HD3 ARG 14 HD2 ARG 14 8.450 -14.326 2.817
92 HE ARG 14 HE ARG 14 8.596 -16.338 0.718
93 HH11 ARG 14 HH22 ARG 14 10.747 -15.869 2.737
94 HH12 ARG 14 HH21 ARG 14 10.610 -17.266 3.752
95 HH21 ARG 14 HH11 ARG 14 7.444 -18.106 2.618
96 HH22 ARG 14 HH12 ARG 14 8.740 -18.532 3.684
97 H GLY 15 H GLY 15 3.126 -16.415 0.254
98 HA2 GLY 15 HA3 GLY 15 2.546 -18.393 2.030
99 HA3 GLY 15 HA2 GLY 15 1.410 -17.138 2.527
100 H CYS 16 H CYS 16 0.622 -16.034 0.155
101 HA CYS 16 HA CYS 16 -1.219 -18.000 -0.888
102 HB2 CYS 16 HB3 CYS 16 -1.878 -16.094 -2.314
103 HB3 CYS 16 HB2 CYS 16 -1.673 -15.583 -0.644
104 H ARG 17 H ARG 17 -1.336 -17.785 -3.556
105 HA ARG 17 HA ARG 17 1.354 -18.679 -4.542
106 HB2 ARG 17 HB3 ARG 17 -0.236 -20.511 -4.281
107 HB3 ARG 17 HB2 ARG 17 -1.460 -19.620 -5.183
108 HG2 ARG 17 HG3 ARG 17 -0.435 -21.241 -6.671
109 HG3 ARG 17 HG2 ARG 17 0.076 -19.627 -7.164
110 HD2 ARG 17 HD3 ARG 17 2.225 -19.899 -6.064
111 HD3 ARG 17 HD2 ARG 17 1.713 -21.446 -5.362
112 HE ARG 17 HE ARG 17 1.386 -21.438 -8.241
113 HH11 ARG 17 HH11 ARG 17 2.843 -23.046 -5.755
114 HH12 ARG 17 HH12 ARG 17 4.290 -23.470 -6.606
115 HH21 ARG 17 HH22 ARG 17 3.608 -21.423 -9.321
116 HH22 ARG 17 HH21 ARG 17 4.724 -22.550 -8.625
117 H TYR 18 H TYR 18 -1.632 -16.920 -5.278
118 HA TYR 18 HA TYR 18 -1.101 -16.285 -8.017
119 HB2 TYR 18 HB3 TYR 18 -2.599 -14.798 -5.835
120 HB3 TYR 18 HB2 TYR 18 -2.756 -14.475 -7.560
121 HD1 TYR 18 HD1 TYR 18 -2.944 -16.894 -8.930
122 HD2 TYR 18 HD2 TYR 18 -4.388 -16.017 -4.984
123 HE1 TYR 18 HE1 TYR 18 -4.611 -18.712 -9.140
124 HE2 TYR 18 HE2 TYR 18 -6.057 -17.836 -5.191
125 HH TYR 18 HH TYR 18 -6.852 -19.278 -8.116
126 H LYS 19 H LYS 19 -1.285 -13.409 -7.921
127 HA LYS 19 HA LYS 19 1.559 -12.752 -7.296
128 HB2 LYS 19 HB3 LYS 19 -0.498 -11.239 -8.940
129 HB3 LYS 19 HB2 LYS 19 1.250 -11.021 -8.965
130 HG2 LYS 19 HG3 LYS 19 0.237 -13.762 -9.563
131 HG3 LYS 19 HG2 LYS 19 -0.037 -12.526 -10.790
132 HD2 LYS 19 HD3 LYS 19 2.369 -11.972 -10.772
133 HD3 LYS 19 HD2 LYS 19 2.643 -13.216 -9.550
134 HE2 LYS 19 HE3 LYS 19 3.082 -14.521 -11.398
135 HE3 LYS 19 HE2 LYS 19 1.313 -14.668 -11.443
136 HZ1 LYS 19 HZ1 LYS 19 1.979 -13.877 -13.562
137 HZ2 LYS 19 HZ2 LYS 19 3.000 -12.703 -12.890
138 HZ3 LYS 19 HZ3 LYS 19 1.315 -12.545 -12.743
139 H CYS 20 H CYS 20 1.982 -10.668 -6.199
140 HA CYS 20 HA CYS 20 -0.352 -9.734 -4.576
141 HB2 CYS 20 HB3 CYS 20 1.437 -11.150 -3.461
142 HB3 CYS 20 HB2 CYS 20 2.519 -9.788 -3.721
143 H ARG 21 H ARG 21 -0.364 -7.510 -3.972
144 HA ARG 21 HA ARG 21 1.625 -5.603 -4.971
145 HB2 ARG 21 HB3 ARG 21 -0.321 -6.551 -6.745
146 HB3 ARG 21 HB2 ARG 21 -0.960 -5.010 -6.181
147 HG2 ARG 21 HG3 ARG 21 1.716 -4.443 -6.618
148 HG3 ARG 21 HG2 ARG 21 1.317 -5.538 -7.942
149 HD2 ARG 21 HD3 ARG 21 -0.726 -3.461 -7.406
150 HD3 ARG 21 HD2 ARG 21 0.822 -2.856 -8.026
151 HE ARG 21 HE ARG 21 0.338 -5.049 -9.622
152 HH11 ARG 21 HH11 ARG 21 -0.074 -1.948 -10.150
153 HH12 ARG 21 HH12 ARG 21 -1.597 -2.016 -10.974
154 HH21 ARG 21 HH22 ARG 21 -2.245 -5.296 -10.059
155 HH22 ARG 21 HH21 ARG 21 -2.825 -3.911 -10.923
156 H ALA 22 H ALA 22 0.908 -3.352 -4.373
157 HA ALA 22 HA ALA 22 -1.018 -3.456 -2.080
158 HB1 ALA 22 HB1 ALA 22 0.843 -2.727 -1.016
159 HB2 ALA 22 HB2 ALA 22 0.573 -1.188 -1.834
160 HB3 ALA 22 HB3 ALA 22 1.658 -2.382 -2.539
161 H GLU 23 H GLU 23 -2.516 -1.717 -1.866
162 HA GLU 23 HA GLU 23 -2.753 0.083 -4.257
163 HB2 GLU 23 HB3 GLU 23 -4.518 -1.966 -3.145
164 HB3 GLU 23 HB2 GLU 23 -5.327 -0.405 -3.288
165 HG2 GLU 23 HG3 GLU 23 -3.663 -1.232 -5.603
166 HG3 GLU 23 HG2 GLU 23 -5.143 -2.153 -5.340
167 H GLN 24 H GLN 24 -3.269 2.212 -3.773
168 HA GLN 24 HA GLN 24 -3.083 3.078 -1.000
169 HB2 GLN 24 HB3 GLN 24 -3.234 5.323 -2.061
170 HB3 GLN 24 HB2 GLN 24 -2.043 4.303 -2.866
171 HG2 GLN 24 HG3 GLN 24 -4.427 3.720 -4.196
172 HG3 GLN 24 HG2 GLN 24 -4.503 5.462 -3.928
173 HE21 GLN 24 HE22 GLN 24 -3.487 6.663 -5.533
174 HE22 GLN 24 HE21 GLN 24 -2.206 6.114 -6.502
175 H VAL 25 H VAL 25 -4.899 2.695 0.230
176 HA VAL 25 HA VAL 25 -7.539 3.521 -0.933
177 HB VAL 25 HB VAL 25 -7.494 1.146 -0.698
178 HG11 VAL 25 HG11 VAL 25 -6.846 0.080 1.494
179 HG12 VAL 25 HG12 VAL 25 -6.263 1.657 2.021
180 HG13 VAL 25 HG13 VAL 25 -5.513 0.858 0.642
181 HG21 VAL 25 HG21 VAL 25 -8.745 2.181 1.863
182 HG22 VAL 25 HG22 VAL 25 -9.195 0.724 0.975
183 HG23 VAL 25 HG23 VAL 25 -9.499 2.313 0.274
184 HA PRO 26 HA PRO 26 -7.048 6.344 2.555
185 HB2 PRO 26 HB2 PRO 26 -9.037 8.056 1.780
186 HB3 PRO 26 HB3 PRO 26 -7.401 8.102 1.092
187 HG2 PRO 26 HG3 PRO 26 -9.893 6.930 -0.029
188 HG3 PRO 26 HG2 PRO 26 -8.582 7.793 -0.848
189 HD2 PRO 26 HD3 PRO 26 -8.866 5.076 -0.883
190 HD3 PRO 26 HD2 PRO 26 -7.309 5.910 -1.072
191 H VAL 27 H VAL 27 -8.204 6.397 4.502
192 HA VAL 27 HA VAL 27 -10.755 4.840 4.569
193 HB VAL 27 HB VAL 27 -8.773 5.624 6.733
194 HG11 VAL 27 HG11 VAL 27 -10.084 3.528 7.758
195 HG12 VAL 27 HG12 VAL 27 -11.366 4.144 6.717
196 HG13 VAL 27 HG13 VAL 27 -10.671 5.177 7.965
197 HG21 VAL 27 HG21 VAL 27 -8.204 3.161 6.616
198 HG22 VAL 27 HG22 VAL 27 -7.735 4.080 5.186
199 HG23 VAL 27 HG23 VAL 27 -9.179 3.069 5.149
200 H GLU 28 H GLU 28 -9.267 7.871 5.716
201 HA GLU 28 HA GLU 28 -11.818 8.825 6.812
202 HB2 GLU 28 HB3 GLU 28 -9.366 9.108 7.687
203 HB3 GLU 28 HB2 GLU 28 -9.288 10.420 6.511
204 HG2 GLU 28 HG3 GLU 28 -11.759 10.605 7.987
205 HG3 GLU 28 HG2 GLU 28 -10.407 10.507 9.114
206 H GLY 29 H GLY 29 -12.072 8.395 4.050
207 HA2 GLY 29 HA3 GLY 29 -12.704 9.478 2.066
208 HA3 GLY 29 HA2 GLY 29 -13.080 10.859 3.097
209 H ASN 30 H ASN 30 -12.241 12.347 1.523
210 HA ASN 30 HA ASN 30 -9.380 12.822 1.766
211 HB2 ASN 30 HB3 ASN 30 -9.952 10.983 -0.052
212 HB3 ASN 30 HB2 ASN 30 -10.348 12.393 -1.036
213 HD21 ASN 30 HD22 ASN 30 -8.456 12.045 -2.424
214 HD22 ASN 30 HD21 ASN 30 -6.887 12.377 -1.866
215 H ASP 31 H ASP 31 -12.149 14.173 1.994
216 HA ASP 31 HA ASP 31 -12.137 16.256 -0.029
217 HB2 ASP 31 HB3 ASP 31 -13.744 15.345 2.252
218 HB3 ASP 31 HB2 ASP 31 -13.731 17.099 2.069
219 HA PRO 32 HA PRO 32 -10.492 18.959 3.529
220 HB2 PRO 32 HB2 PRO 32 -9.878 17.791 5.924
221 HB3 PRO 32 HB3 PRO 32 -11.500 18.402 5.539
222 HG2 PRO 32 HG3 PRO 32 -10.482 15.616 5.556
223 HG3 PRO 32 HG2 PRO 32 -12.079 16.240 5.992
224 HD2 PRO 32 HD3 PRO 32 -11.477 14.996 3.609
225 HD3 PRO 32 HD2 PRO 32 -12.848 16.096 3.861
226 H ILE 33 H ILE 33 -8.282 18.661 5.219
227 HA ILE 33 HA ILE 33 -6.108 18.221 3.458
228 HB ILE 33 HB ILE 33 -6.039 19.508 5.560
229 HG12 ILE 33 HG13 ILE 33 -4.083 17.460 6.312
230 HG13 ILE 33 HG12 ILE 33 -4.054 17.816 4.585
231 HG21 ILE 33 HG21 ILE 33 -6.573 18.641 7.599
232 HG22 ILE 33 HG22 ILE 33 -5.781 17.101 7.261
233 HG23 ILE 33 HG23 ILE 33 -7.407 17.410 6.651
234 HD11 ILE 33 HD11 ILE 33 -2.554 19.282 6.032
235 HD12 ILE 33 HD12 ILE 33 -4.029 19.982 6.697
236 HD13 ILE 33 HD13 ILE 33 -3.672 20.146 4.977
237 H ASN 34 H ASN 34 -4.867 16.394 2.982
238 HA ASN 34 HA ASN 34 -6.018 13.788 3.292
239 HB2 ASN 34 HB3 ASN 34 -3.214 14.729 2.603
240 HB3 ASN 34 HB2 ASN 34 -3.807 13.088 2.346
241 HD21 ASN 34 HD22 ASN 34 -3.926 16.385 1.139
242 HD22 ASN 34 HD21 ASN 34 -4.874 16.053 -0.229
243 H SER 35 H SER 35 -2.663 14.167 4.327
244 HA SER 35 HA SER 35 -1.580 13.362 6.266
245 HB2 SER 35 HB3 SER 35 -3.650 15.227 6.876
246 HB3 SER 35 HB2 SER 35 -3.604 14.028 8.161
247 HG SER 35 HG SER 35 -1.359 15.428 7.128
248 H ALA 36 H ALA 36 -3.037 11.327 4.915
249 HA ALA 36 HA ALA 36 -3.338 9.359 6.999
250 HB1 ALA 36 HB1 ALA 36 -5.421 10.945 7.064
251 HB2 ALA 36 HB2 ALA 36 -5.685 9.202 7.134
252 HB3 ALA 36 HB3 ALA 36 -5.916 10.068 5.615
253 H TYR 37 H TYR 37 -5.250 7.734 5.594
254 HA TYR 37 HA TYR 37 -5.395 6.216 3.790
255 HB2 TYR 37 HB3 TYR 37 -3.704 8.091 2.152
256 HB3 TYR 37 HB2 TYR 37 -5.108 7.149 1.658
257 HD1 TYR 37 HD2 TYR 37 -7.057 7.851 3.805
258 HD2 TYR 37 HD1 TYR 37 -4.285 10.315 1.635
259 HE1 TYR 37 HE2 TYR 37 -8.498 9.827 4.207
260 HE2 TYR 37 HE1 TYR 37 -5.728 12.289 2.040
261 HH TYR 37 HH TYR 37 -7.638 12.771 4.119
262 H HIS 38 H HIS 38 -4.183 4.381 3.513
263 HA HIS 38 HA HIS 38 -1.201 4.632 3.542
264 HB2 HIS 38 HB3 HIS 38 -1.642 2.278 4.796
265 HB3 HIS 38 HB2 HIS 38 -1.502 3.800 5.666
266 HD1 HIS 38 HD1 HIS 38 -3.858 1.074 4.866
267 HD2 HIS 38 HD2 HIS 38 -4.109 4.951 6.377
268 HE1 HIS 38 HE1 HIS 38 -6.167 1.299 5.880
269 H TYR 39 H TYR 39 -0.280 2.332 2.934
270 HA TYR 39 HA TYR 39 -1.720 1.416 0.475
271 HB2 TYR 39 HB3 TYR 39 1.061 1.907 1.314
272 HB3 TYR 39 HB2 TYR 39 0.854 0.371 0.475
273 HD1 TYR 39 HD1 TYR 39 -0.554 0.442 -1.735
274 HD2 TYR 39 HD2 TYR 39 1.272 3.882 0.076
275 HE1 TYR 39 HE1 TYR 39 -0.655 1.639 -3.905
276 HE2 TYR 39 HE2 TYR 39 1.169 5.079 -2.093
277 HH TYR 39 HH TYR 39 1.013 4.592 -4.452
278 H ARG 40 H ARG 40 -2.542 -0.665 0.493
279 HA ARG 40 HA ARG 40 -1.706 -2.450 2.759
280 HB2 ARG 40 HB3 ARG 40 -4.037 -3.476 2.226
281 HB3 ARG 40 HB2 ARG 40 -3.988 -1.915 3.040
282 HG2 ARG 40 HG3 ARG 40 -4.490 -0.735 1.037
283 HG3 ARG 40 HG2 ARG 40 -4.160 -2.147 0.033
284 HD2 ARG 40 HD3 ARG 40 -6.352 -2.203 2.116
285 HD3 ARG 40 HD2 ARG 40 -6.650 -1.597 0.475
286 HE ARG 40 HE ARG 40 -5.251 -4.056 0.236
287 HH11 ARG 40 HH22 ARG 40 -7.121 -4.762 2.497
288 HH12 ARG 40 HH21 ARG 40 -8.508 -5.345 1.638
289 HH21 ARG 40 HH11 ARG 40 -7.538 -3.968 -1.394
290 HH22 ARG 40 HH12 ARG 40 -8.743 -4.895 -0.565
291 H CYS 41 H CYS 41 -0.637 -4.266 2.177
292 HA CYS 41 HA CYS 41 -0.218 -4.963 -0.621
293 HB2 CYS 41 HB3 CYS 41 1.370 -5.136 1.405
294 HB3 CYS 41 HB2 CYS 41 0.468 -6.585 1.844
295 H VAL 42 H VAL 42 -1.647 -6.191 -1.796
296 HA VAL 42 HA VAL 42 -3.282 -8.237 -0.344
297 HB VAL 42 HB VAL 42 -4.886 -7.677 -2.319
298 HG11 VAL 42 HG11 VAL 42 -4.334 -5.958 0.087
299 HG12 VAL 42 HG12 VAL 42 -5.619 -7.143 -0.147
300 HG13 VAL 42 HG13 VAL 42 -5.681 -5.597 -0.992
301 HG21 VAL 42 HG21 VAL 42 -3.187 -6.283 -3.524
302 HG22 VAL 42 HG22 VAL 42 -3.280 -5.113 -2.207
303 HG23 VAL 42 HG23 VAL 42 -4.696 -5.427 -3.211
304 H CYS 43 H CYS 43 -3.733 -10.172 -1.602
305 HA CYS 43 HA CYS 43 -1.723 -10.660 -3.730
306 HB2 CYS 43 HB3 CYS 43 -1.634 -12.019 -1.661
307 HB3 CYS 43 HB2 CYS 43 -3.279 -12.572 -1.972
308 H HIS 44 H HIS 44 -2.626 -10.417 -5.737
309 HA HIS 44 HA HIS 44 -5.365 -11.562 -6.190
310 HB2 HIS 44 HB3 HIS 44 -3.945 -9.289 -7.619
311 HB3 HIS 44 HB2 HIS 44 -5.601 -9.814 -7.902
312 HD1 HIS 44 HD1 HIS 44 -6.518 -10.170 -4.967
313 HD2 HIS 44 HD2 HIS 44 -4.428 -6.842 -6.356
314 HE1 HIS 44 HE1 HIS 44 -7.024 -8.284 -3.355
315 H ARG 45 H ARG 45 -5.579 -12.136 -8.654
316 HA ARG 45 HA ARG 45 -3.704 -14.174 -9.315
317 HB2 ARG 45 HB3 ARG 45 -5.641 -12.622 -11.058
318 HB3 ARG 45 HB2 ARG 45 -4.937 -14.188 -11.460
319 HG2 ARG 45 HG3 ARG 45 -5.938 -14.779 -9.028
320 HG3 ARG 45 HG2 ARG 45 -7.077 -13.520 -9.504
321 HD2 ARG 45 HD3 ARG 45 -7.092 -14.889 -11.797
322 HD3 ARG 45 HD2 ARG 45 -6.630 -16.219 -10.717
323 HE ARG 45 HE ARG 45 -8.849 -14.559 -9.736
324 HH11 ARG 45 HH11 ARG 45 -8.148 -17.549 -9.259
325 HH12 ARG 45 HH12 ARG 45 -9.492 -18.306 -10.048
326 HH21 ARG 45 HH22 ARG 45 -10.459 -15.432 -11.732
327 HH22 ARG 45 HH21 ARG 45 -10.800 -17.106 -11.449
Start of MODEL 3
1 H1 ILE 1 H1 ILE 1 -1.986 8.699 -11.858
2 H2 ILE 1 H2 ILE 1 -3.617 9.137 -12.031
3 H3 ILE 1 H3 ILE 1 -3.204 7.564 -11.541
4 HA ILE 1 HA ILE 1 -2.595 10.010 -9.957
5 HB ILE 1 HB ILE 1 -4.538 9.205 -8.589
6 HG12 ILE 1 HG13 ILE 1 -5.306 7.486 -10.940
7 HG13 ILE 1 HG12 ILE 1 -4.286 6.828 -9.659
8 HG21 ILE 1 HG21 ILE 1 -5.559 9.559 -11.385
9 HG22 ILE 1 HG22 ILE 1 -4.610 10.855 -10.656
10 HG23 ILE 1 HG23 ILE 1 -6.105 10.320 -9.890
11 HD11 ILE 1 HD11 ILE 1 -6.248 8.054 -8.197
12 HD12 ILE 1 HD12 ILE 1 -6.264 6.348 -8.641
13 HD13 ILE 1 HD13 ILE 1 -7.157 7.521 -9.610
14 H GLY 2 H GLY 2 -2.432 9.152 -7.560
15 HA2 GLY 2 HA3 GLY 2 -1.537 7.605 -5.999
16 HA3 GLY 2 HA2 GLY 2 -1.417 6.414 -7.295
17 H SER 3 H SER 3 0.140 9.285 -5.922
18 HA SER 3 HA SER 3 2.485 9.163 -7.630
19 HB2 SER 3 HB3 SER 3 3.295 10.875 -6.100
20 HB3 SER 3 HB2 SER 3 1.581 11.161 -6.392
21 HG SER 3 HG SER 3 1.214 9.932 -4.429
22 H THR 4 H THR 4 1.555 7.701 -4.565
23 HA THR 4 HA THR 4 4.278 6.765 -3.967
24 HB THR 4 HB THR 4 1.552 6.529 -2.746
25 HG1 THR 4 HG1 THR 4 2.655 8.422 -2.357
26 HG21 THR 4 HG21 THR 4 2.624 5.306 -0.854
27 HG22 THR 4 HG22 THR 4 4.093 5.169 -1.820
28 HG23 THR 4 HG23 THR 4 2.613 4.369 -2.347
29 H ALA 5 H ALA 5 4.978 5.144 -5.369
30 HA ALA 5 HA ALA 5 3.136 2.803 -5.726
31 HB1 ALA 5 HB1 ALA 5 3.602 4.390 -7.707
32 HB2 ALA 5 HB2 ALA 5 3.846 2.667 -7.988
33 HB3 ALA 5 HB3 ALA 5 5.232 3.717 -7.699
34 HA PRO 6 HA PRO 6 7.511 1.651 -4.247
35 HB2 PRO 6 HB2 PRO 6 7.156 1.435 -1.548
36 HB3 PRO 6 HB3 PRO 6 7.689 2.940 -2.325
37 HG2 PRO 6 HG3 PRO 6 5.011 2.190 -1.294
38 HG3 PRO 6 HG2 PRO 6 5.825 3.761 -1.293
39 HD2 PRO 6 HD3 PRO 6 3.847 3.021 -3.063
40 HD3 PRO 6 HD2 PRO 6 5.048 4.299 -3.353
41 H THR 7 H THR 7 4.250 0.709 -3.415
42 HA THR 7 HA THR 7 3.243 -1.414 -3.227
43 HB THR 7 HB THR 7 5.690 -2.759 -4.187
44 HG1 THR 7 HG1 THR 7 4.335 -0.751 -5.647
45 HG21 THR 7 HG21 THR 7 3.803 -4.107 -4.315
46 HG22 THR 7 HG22 THR 7 3.857 -3.432 -5.944
47 HG23 THR 7 HG23 THR 7 2.751 -2.759 -4.747
48 H CYS 8 H CYS 8 3.292 -3.294 -1.822
49 HA CYS 8 HA CYS 8 4.986 -2.951 0.525
50 HB2 CYS 8 HB3 CYS 8 2.455 -3.765 0.109
51 HB3 CYS 8 HB2 CYS 8 3.250 -5.336 0.121
52 H THR 9 H THR 9 5.557 -4.347 -2.410
53 HA THR 9 HA THR 9 7.205 -5.831 -3.190
54 HB THR 9 HB THR 9 9.084 -6.143 -1.817
55 HG1 THR 9 HG1 THR 9 8.952 -6.399 0.392
56 HG21 THR 9 HG21 THR 9 8.032 -3.957 -0.102
57 HG22 THR 9 HG22 THR 9 8.014 -3.672 -1.843
58 HG23 THR 9 HG23 THR 9 9.532 -4.043 -1.027
59 H TYR 10 H TYR 10 6.616 -7.848 -3.791
60 HA TYR 10 HA TYR 10 4.593 -9.415 -2.906
61 HB2 TYR 10 HB3 TYR 10 6.034 -9.854 -4.858
62 HB3 TYR 10 HB2 TYR 10 7.335 -10.381 -3.790
63 HD1 TYR 10 HD1 TYR 10 6.953 -12.397 -2.288
64 HD2 TYR 10 HD2 TYR 10 4.286 -11.340 -5.486
65 HE1 TYR 10 HE1 TYR 10 5.997 -14.685 -2.248
66 HE2 TYR 10 HE2 TYR 10 3.332 -13.628 -5.445
67 HH TYR 10 HH TYR 10 4.582 -16.123 -4.423
68 H ASN 11 H ASN 11 7.714 -9.201 -1.220
69 HA ASN 11 HA ASN 11 7.510 -11.501 0.447
70 HB2 ASN 11 HB3 ASN 11 8.993 -9.000 0.268
71 HB3 ASN 11 HB2 ASN 11 8.626 -9.384 1.949
72 HD21 ASN 11 HD22 ASN 11 11.226 -9.609 0.279
73 HD22 ASN 11 HD21 ASN 11 11.749 -11.199 0.564
74 H GLU 12 H GLU 12 5.754 -8.515 0.368
75 HA GLU 12 HA GLU 12 4.833 -8.262 3.000
76 HB2 GLU 12 HB3 GLU 12 2.816 -7.206 1.828
77 HB3 GLU 12 HB2 GLU 12 4.390 -6.564 1.370
78 HG2 GLU 12 HG3 GLU 12 3.734 -6.942 -0.772
79 HG3 GLU 12 HG2 GLU 12 4.057 -8.643 -0.426
80 H CYS 13 H CYS 13 3.420 -10.187 0.331
81 HA CYS 13 HA CYS 13 1.255 -11.315 1.843
82 HB2 CYS 13 HB3 CYS 13 2.804 -12.024 -0.650
83 HB3 CYS 13 HB2 CYS 13 1.511 -13.069 -0.067
84 H ARG 14 H ARG 14 4.231 -12.935 0.701
85 HA ARG 14 HA ARG 14 5.409 -14.781 1.577
86 HB2 ARG 14 HB3 ARG 14 5.931 -12.815 3.050
87 HB3 ARG 14 HB2 ARG 14 4.653 -13.349 4.135
88 HG2 ARG 14 HG3 ARG 14 6.572 -15.461 3.399
89 HG3 ARG 14 HG2 ARG 14 7.280 -14.133 4.314
90 HD2 ARG 14 HD3 ARG 14 6.332 -14.894 6.224
91 HD3 ARG 14 HD2 ARG 14 4.725 -14.870 5.472
92 HE ARG 14 HE ARG 14 5.051 -17.149 4.768
93 HH11 ARG 14 HH11 ARG 14 6.854 -16.402 7.424
94 HH12 ARG 14 HH12 ARG 14 8.061 -17.624 7.205
95 HH21 ARG 14 HH22 ARG 14 7.008 -18.464 4.009
96 HH22 ARG 14 HH21 ARG 14 8.149 -18.792 5.271
97 H GLY 15 H GLY 15 3.724 -16.348 0.978
98 HA2 GLY 15 HA3 GLY 15 3.005 -18.271 2.738
99 HA3 GLY 15 HA2 GLY 15 1.739 -17.077 3.031
100 H CYS 16 H CYS 16 0.666 -16.258 0.917
101 HA CYS 16 HA CYS 16 -0.507 -18.485 -0.455
102 HB2 CYS 16 HB3 CYS 16 -1.564 -16.667 -1.765
103 HB3 CYS 16 HB2 CYS 16 -1.592 -16.309 -0.045
104 H ARG 17 H ARG 17 -0.533 -17.640 -3.155
105 HA ARG 17 HA ARG 17 2.244 -17.440 -4.114
106 HB2 ARG 17 HB3 ARG 17 2.088 -19.661 -5.263
107 HB3 ARG 17 HB2 ARG 17 2.061 -19.799 -3.505
108 HG2 ARG 17 HG3 ARG 17 -0.600 -19.463 -4.741
109 HG3 ARG 17 HG2 ARG 17 0.223 -20.963 -5.170
110 HD2 ARG 17 HD3 ARG 17 0.374 -21.665 -2.906
111 HD3 ARG 17 HD2 ARG 17 0.028 -20.034 -2.296
112 HE ARG 17 HE ARG 17 -2.207 -20.553 -3.776
113 HH11 ARG 17 HH11 ARG 17 -1.149 -21.288 -0.724
114 HH12 ARG 17 HH12 ARG 17 -2.226 -22.617 -0.456
115 HH21 ARG 17 HH22 ARG 17 -3.315 -22.744 -3.746
116 HH22 ARG 17 HH21 ARG 17 -3.453 -23.441 -2.166
117 H TYR 18 H TYR 18 0.877 -15.516 -4.936
118 HA TYR 18 HA TYR 18 -0.083 -16.166 -7.668
119 HB2 TYR 18 HB3 TYR 18 -1.702 -14.833 -5.477
120 HB3 TYR 18 HB2 TYR 18 -2.167 -14.804 -7.176
121 HD1 TYR 18 HD1 TYR 18 -2.037 -17.213 -8.362
122 HD2 TYR 18 HD2 TYR 18 -2.613 -16.528 -4.161
123 HE1 TYR 18 HE1 TYR 18 -3.065 -19.456 -8.139
124 HE2 TYR 18 HE2 TYR 18 -3.641 -18.773 -3.937
125 HH TYR 18 HH TYR 18 -4.531 -20.670 -6.676
126 H LYS 19 H LYS 19 -1.245 -13.474 -7.933
127 HA LYS 19 HA LYS 19 1.269 -11.965 -8.307
128 HB2 LYS 19 HB3 LYS 19 -1.605 -11.265 -8.994
129 HB3 LYS 19 HB2 LYS 19 -0.149 -10.553 -9.690
130 HG2 LYS 19 HG3 LYS 19 -0.899 -13.483 -9.930
131 HG3 LYS 19 HG2 LYS 19 -1.201 -12.273 -11.176
132 HD2 LYS 19 HD3 LYS 19 1.161 -11.853 -11.443
133 HD3 LYS 19 HD2 LYS 19 1.548 -12.852 -10.042
134 HE2 LYS 19 HE3 LYS 19 0.439 -14.798 -11.304
135 HE3 LYS 19 HE2 LYS 19 0.510 -13.755 -12.739
136 HZ1 LYS 19 HZ1 LYS 19 2.527 -15.119 -12.480
137 HZ2 LYS 19 HZ2 LYS 19 2.823 -14.384 -10.981
138 HZ3 LYS 19 HZ3 LYS 19 2.863 -13.455 -12.402
139 H CYS 20 H CYS 20 1.811 -11.293 -6.163
140 HA CYS 20 HA CYS 20 -0.171 -9.981 -4.449
141 HB2 CYS 20 HB3 CYS 20 2.816 -10.460 -4.343
142 HB3 CYS 20 HB2 CYS 20 1.938 -9.630 -3.057
143 H ARG 21 H ARG 21 -0.243 -7.760 -3.959
144 HA ARG 21 HA ARG 21 1.657 -5.845 -5.088
145 HB2 ARG 21 HB3 ARG 21 -0.761 -6.703 -6.521
146 HB3 ARG 21 HB2 ARG 21 -0.697 -4.957 -6.282
147 HG2 ARG 21 HG3 ARG 21 1.908 -5.617 -7.029
148 HG3 ARG 21 HG2 ARG 21 0.902 -6.641 -8.054
149 HD2 ARG 21 HD3 ARG 21 0.313 -3.690 -7.720
150 HD3 ARG 21 HD2 ARG 21 1.425 -4.289 -8.967
151 HE ARG 21 HE ARG 21 -1.078 -5.774 -8.917
152 HH11 ARG 21 HH22 ARG 21 -0.874 -2.524 -9.289
153 HH12 ARG 21 HH21 ARG 21 -1.288 -2.473 -10.970
154 HH21 ARG 21 HH11 ARG 21 -1.009 -5.901 -11.416
155 HH22 ARG 21 HH12 ARG 21 -1.365 -4.385 -12.174
156 H ALA 22 H ALA 22 0.927 -3.587 -4.523
157 HA ALA 22 HA ALA 22 -1.066 -3.586 -2.286
158 HB1 ALA 22 HB1 ALA 22 0.568 -2.112 -1.094
159 HB2 ALA 22 HB2 ALA 22 1.694 -2.329 -2.432
160 HB3 ALA 22 HB3 ALA 22 1.230 -3.709 -1.437
161 H GLU 23 H GLU 23 -2.263 -1.614 -2.098
162 HA GLU 23 HA GLU 23 -1.660 0.588 -4.003
163 HB2 GLU 23 HB3 GLU 23 -3.695 -1.494 -4.300
164 HB3 GLU 23 HB2 GLU 23 -4.389 0.126 -4.348
165 HG2 GLU 23 HG3 GLU 23 -1.890 -0.299 -5.908
166 HG3 GLU 23 HG2 GLU 23 -3.353 -1.063 -6.530
167 H GLN 24 H GLN 24 -2.933 2.530 -3.513
168 HA GLN 24 HA GLN 24 -3.383 2.930 -0.688
169 HB2 GLN 24 HB3 GLN 24 -4.043 5.199 -1.475
170 HB3 GLN 24 HB2 GLN 24 -2.531 4.666 -2.204
171 HG2 GLN 24 HG3 GLN 24 -4.484 3.697 -3.944
172 HG3 GLN 24 HG2 GLN 24 -5.081 5.291 -3.482
173 HE21 GLN 24 HE22 GLN 24 -2.739 3.626 -5.418
174 HE22 GLN 24 HE21 GLN 24 -1.896 4.996 -5.959
175 H VAL 25 H VAL 25 -5.339 2.924 0.427
176 HA VAL 25 HA VAL 25 -7.812 2.407 -1.184
177 HB VAL 25 HB VAL 25 -8.338 1.238 1.193
178 HG11 VAL 25 HG11 VAL 25 -8.181 0.382 -1.294
179 HG12 VAL 25 HG12 VAL 25 -8.164 -0.770 0.042
180 HG13 VAL 25 HG13 VAL 25 -6.653 -0.305 -0.741
181 HG21 VAL 25 HG21 VAL 25 -5.355 0.878 0.788
182 HG22 VAL 25 HG22 VAL 25 -6.344 0.034 1.978
183 HG23 VAL 25 HG23 VAL 25 -6.099 1.776 2.111
184 HA PRO 26 HA PRO 26 -9.438 5.870 0.978
185 HB2 PRO 26 HB2 PRO 26 -12.114 5.379 0.700
186 HB3 PRO 26 HB3 PRO 26 -11.092 5.938 -0.639
187 HG2 PRO 26 HG3 PRO 26 -12.108 3.213 -0.045
188 HG3 PRO 26 HG2 PRO 26 -11.856 4.012 -1.603
189 HD2 PRO 26 HD3 PRO 26 -10.154 2.141 -0.518
190 HD3 PRO 26 HD2 PRO 26 -9.680 3.354 -1.727
191 H VAL 27 H VAL 27 -10.641 6.399 2.970
192 HA VAL 27 HA VAL 27 -11.806 4.298 4.616
193 HB VAL 27 HB VAL 27 -9.374 3.781 4.698
194 HG11 VAL 27 HG11 VAL 27 -9.105 6.484 6.042
195 HG12 VAL 27 HG12 VAL 27 -8.638 6.166 4.371
196 HG13 VAL 27 HG13 VAL 27 -7.811 5.341 5.691
197 HG21 VAL 27 HG21 VAL 27 -10.030 4.925 7.389
198 HG22 VAL 27 HG22 VAL 27 -9.367 3.344 6.980
199 HG23 VAL 27 HG23 VAL 27 -11.080 3.673 6.725
200 H GLU 28 H GLU 28 -10.257 7.507 4.567
201 HA GLU 28 HA GLU 28 -11.958 8.416 6.793
202 HB2 GLU 28 HB3 GLU 28 -9.362 8.881 5.998
203 HB3 GLU 28 HB2 GLU 28 -10.190 10.326 5.419
204 HG2 GLU 28 HG3 GLU 28 -10.109 11.134 7.519
205 HG3 GLU 28 HG2 GLU 28 -11.225 9.856 7.997
206 H GLY 29 H GLY 29 -13.371 7.789 4.396
207 HA2 GLY 29 HA3 GLY 29 -13.849 10.225 2.890
208 HA3 GLY 29 HA2 GLY 29 -14.780 8.734 2.758
209 H ASN 30 H ASN 30 -15.353 11.800 3.371
210 HA ASN 30 HA ASN 30 -17.698 11.272 4.985
211 HB2 ASN 30 HB3 ASN 30 -15.756 11.256 6.603
212 HB3 ASN 30 HB2 ASN 30 -15.495 12.952 6.195
213 HD21 ASN 30 HD22 ASN 30 -16.518 11.549 8.766
214 HD22 ASN 30 HD21 ASN 30 -17.943 12.391 9.141
215 H ASP 31 H ASP 31 -15.528 14.051 4.575
216 HA ASP 31 HA ASP 31 -17.082 15.413 2.610
217 HB2 ASP 31 HB3 ASP 31 -18.046 15.459 5.358
218 HB3 ASP 31 HB2 ASP 31 -17.730 17.089 4.764
219 HA PRO 32 HA PRO 32 -14.090 18.561 4.613
220 HB2 PRO 32 HB2 PRO 32 -12.801 17.842 6.921
221 HB3 PRO 32 HB3 PRO 32 -14.368 18.676 6.907
222 HG2 PRO 32 HG3 PRO 32 -13.765 15.787 7.300
223 HG3 PRO 32 HG2 PRO 32 -14.956 16.812 8.116
224 HD2 PRO 32 HD3 PRO 32 -15.606 15.073 6.136
225 HD3 PRO 32 HD2 PRO 32 -16.505 16.574 6.442
226 H ILE 33 H ILE 33 -11.474 18.206 5.554
227 HA ILE 33 HA ILE 33 -10.075 17.099 3.391
228 HB ILE 33 HB ILE 33 -9.153 18.603 5.112
229 HG12 ILE 33 HG13 ILE 33 -7.110 16.891 5.707
230 HG13 ILE 33 HG12 ILE 33 -7.860 16.047 4.351
231 HG21 ILE 33 HG21 ILE 33 -8.791 16.337 7.022
232 HG22 ILE 33 HG22 ILE 33 -10.386 17.088 6.941
233 HG23 ILE 33 HG23 ILE 33 -8.973 18.062 7.344
234 HD11 ILE 33 HD11 ILE 33 -7.391 17.744 2.852
235 HD12 ILE 33 HD12 ILE 33 -6.020 17.928 3.947
236 HD13 ILE 33 HD13 ILE 33 -7.417 18.993 4.097
237 H ASN 34 H ASN 34 -10.288 15.008 2.683
238 HA ASN 34 HA ASN 34 -10.171 12.813 4.728
239 HB2 ASN 34 HB3 ASN 34 -11.578 11.556 3.053
240 HB3 ASN 34 HB2 ASN 34 -12.377 12.978 3.723
241 HD21 ASN 34 HD22 ASN 34 -13.720 13.123 1.741
242 HD22 ASN 34 HD21 ASN 34 -13.058 13.729 0.301
243 H SER 35 H SER 35 -8.065 14.237 2.948
244 HA SER 35 HA SER 35 -7.202 12.371 0.934
245 HB2 SER 35 HB3 SER 35 -4.976 13.725 1.539
246 HB3 SER 35 HB2 SER 35 -6.309 14.489 0.680
247 HG SER 35 HG SER 35 -6.646 15.704 2.362
248 H ALA 36 H ALA 36 -7.057 12.244 4.370
249 HA ALA 36 HA ALA 36 -4.608 10.891 4.843
250 HB1 ALA 36 HB1 ALA 36 -6.657 11.817 6.329
251 HB2 ALA 36 HB2 ALA 36 -5.497 10.646 6.956
252 HB3 ALA 36 HB3 ALA 36 -7.058 10.100 6.344
253 H TYR 37 H TYR 37 -4.320 9.363 3.083
254 HA TYR 37 HA TYR 37 -6.095 6.947 3.256
255 HB2 TYR 37 HB3 TYR 37 -4.632 8.262 0.948
256 HB3 TYR 37 HB2 TYR 37 -5.381 6.670 0.830
257 HD1 TYR 37 HD2 TYR 37 -7.863 6.866 2.266
258 HD2 TYR 37 HD1 TYR 37 -5.945 9.826 -0.188
259 HE1 TYR 37 HE2 TYR 37 -10.061 7.929 1.828
260 HE2 TYR 37 HE1 TYR 37 -8.142 10.886 -0.627
261 HH TYR 37 HH TYR 37 -10.948 9.507 -0.285
262 H HIS 38 H HIS 38 -5.010 4.908 3.246
263 HA HIS 38 HA HIS 38 -2.057 5.058 3.707
264 HB2 HIS 38 HB3 HIS 38 -2.672 2.781 4.869
265 HB3 HIS 38 HB2 HIS 38 -2.998 4.292 5.702
266 HD1 HIS 38 HD1 HIS 38 -4.688 1.477 3.866
267 HD2 HIS 38 HD2 HIS 38 -5.759 4.902 5.990
268 HE1 HIS 38 HE1 HIS 38 -7.189 1.334 4.242
269 H TYR 39 H TYR 39 -1.117 2.704 3.316
270 HA TYR 39 HA TYR 39 -2.121 1.744 0.654
271 HB2 TYR 39 HB3 TYR 39 0.492 2.637 1.678
272 HB3 TYR 39 HB2 TYR 39 0.569 1.088 0.839
273 HD1 TYR 39 HD2 TYR 39 -0.260 0.897 -1.517
274 HD2 TYR 39 HD1 TYR 39 0.068 4.678 0.494
275 HE1 TYR 39 HE2 TYR 39 -0.397 2.070 -3.698
276 HE2 TYR 39 HE1 TYR 39 -0.067 5.850 -1.686
277 HH TYR 39 HH TYR 39 0.398 4.370 -4.601
278 H ARG 40 H ARG 40 -2.402 -0.489 0.488
279 HA ARG 40 HA ARG 40 -1.492 -2.157 2.811
280 HB2 ARG 40 HB3 ARG 40 -3.693 -3.398 2.391
281 HB3 ARG 40 HB2 ARG 40 -3.844 -1.776 3.064
282 HG2 ARG 40 HG3 ARG 40 -4.572 -0.858 1.043
283 HG3 ARG 40 HG2 ARG 40 -3.876 -2.163 0.084
284 HD2 ARG 40 HD3 ARG 40 -5.771 -3.347 1.868
285 HD3 ARG 40 HD2 ARG 40 -6.555 -1.962 1.084
286 HE ARG 40 HE ARG 40 -4.967 -3.707 -0.690
287 HH11 ARG 40 HH11 ARG 40 -7.845 -4.130 0.930
288 HH12 ARG 40 HH12 ARG 40 -8.841 -4.258 -0.482
289 HH21 ARG 40 HH22 ARG 40 -6.325 -3.302 -2.668
290 HH22 ARG 40 HH21 ARG 40 -7.980 -3.789 -2.518
291 H CYS 41 H CYS 41 -1.390 -4.518 2.210
292 HA CYS 41 HA CYS 41 -0.492 -4.836 -0.620
293 HB2 CYS 41 HB3 CYS 41 0.370 -6.921 1.198
294 HB3 CYS 41 HB2 CYS 41 1.342 -5.795 0.272
295 H VAL 42 H VAL 42 -1.598 -6.333 -1.865
296 HA VAL 42 HA VAL 42 -3.435 -8.227 -0.452
297 HB VAL 42 HB VAL 42 -4.796 -7.803 -2.640
298 HG11 VAL 42 HG11 VAL 42 -5.578 -7.122 -0.438
299 HG12 VAL 42 HG12 VAL 42 -5.869 -5.813 -1.583
300 HG13 VAL 42 HG13 VAL 42 -4.508 -5.721 -0.463
301 HG21 VAL 42 HG21 VAL 42 -4.451 -5.676 -3.705
302 HG22 VAL 42 HG22 VAL 42 -2.893 -6.500 -3.686
303 HG23 VAL 42 HG23 VAL 42 -3.228 -5.222 -2.520
304 H CYS 43 H CYS 43 -3.849 -10.225 -1.672
305 HA CYS 43 HA CYS 43 -1.654 -10.901 -3.560
306 HB2 CYS 43 HB3 CYS 43 -1.684 -12.004 -1.313
307 HB3 CYS 43 HB2 CYS 43 -3.258 -12.687 -1.716
308 H HIS 44 H HIS 44 -2.935 -10.261 -5.444
309 HA HIS 44 HA HIS 44 -5.458 -11.775 -5.909
310 HB2 HIS 44 HB3 HIS 44 -4.068 -9.583 -7.485
311 HB3 HIS 44 HB2 HIS 44 -5.689 -10.199 -7.793
312 HD1 HIS 44 HD1 HIS 44 -5.047 -7.203 -6.946
313 HD2 HIS 44 HD2 HIS 44 -6.365 -10.216 -4.384
314 HE1 HIS 44 HE1 HIS 44 -6.137 -6.043 -4.976
315 H ARG 45 H ARG 45 -5.635 -12.544 -8.319
316 HA ARG 45 HA ARG 45 -3.215 -14.146 -8.917
317 HB2 ARG 45 HB3 ARG 45 -6.120 -14.360 -9.748
318 HB3 ARG 45 HB2 ARG 45 -4.863 -15.499 -10.227
319 HG2 ARG 45 HG3 ARG 45 -5.313 -16.633 -8.331
320 HG3 ARG 45 HG2 ARG 45 -4.572 -15.294 -7.457
321 HD2 ARG 45 HD3 ARG 45 -6.578 -14.618 -6.633
322 HD3 ARG 45 HD2 ARG 45 -7.337 -14.703 -8.235
323 HE ARG 45 HE ARG 45 -7.196 -17.306 -7.755
324 HH11 ARG 45 HH22 ARG 45 -6.450 -16.745 -4.867
325 HH12 ARG 45 HH21 ARG 45 -7.994 -16.848 -4.089
326 HH21 ARG 45 HH11 ARG 45 -9.796 -16.588 -7.040
327 HH22 ARG 45 HH12 ARG 45 -9.888 -16.761 -5.320
Start of MODEL 4
1 H1 ILE 1 H1 ILE 1 0.980 11.928 -1.907
2 H2 ILE 1 H2 ILE 1 0.498 11.140 -0.482
3 H3 ILE 1 H3 ILE 1 -0.298 10.816 -1.946
4 HA ILE 1 HA ILE 1 1.624 9.734 -2.851
5 HB ILE 1 HB ILE 1 3.676 9.651 -1.407
6 HG12 ILE 1 HG13 ILE 1 2.643 11.917 0.227
7 HG13 ILE 1 HG12 ILE 1 2.049 10.309 0.643
8 HG21 ILE 1 HG21 ILE 1 4.458 11.708 -2.151
9 HG22 ILE 1 HG22 ILE 1 2.964 12.545 -1.726
10 HG23 ILE 1 HG23 ILE 1 3.024 11.518 -3.159
11 HD11 ILE 1 HD11 ILE 1 3.983 10.382 1.924
12 HD12 ILE 1 HD12 ILE 1 4.842 11.386 0.756
13 HD13 ILE 1 HD13 ILE 1 4.611 9.666 0.440
14 H GLY 2 H GLY 2 2.398 7.538 -2.110
15 HA2 GLY 2 HA3 GLY 2 0.428 6.385 -0.206
16 HA3 GLY 2 HA2 GLY 2 1.356 5.472 -1.395
17 H SER 3 H SER 3 1.400 4.437 1.083
18 HA SER 3 HA SER 3 3.527 5.475 2.773
19 HB2 SER 3 HB3 SER 3 1.836 2.995 2.586
20 HB3 SER 3 HB2 SER 3 3.198 3.036 3.702
21 HG SER 3 HG SER 3 1.670 3.915 4.912
22 H THR 4 H THR 4 3.278 2.572 0.675
23 HA THR 4 HA THR 4 6.272 2.562 0.505
24 HB THR 4 HB THR 4 4.815 0.112 -0.170
25 HG1 THR 4 HG1 THR 4 4.743 1.127 2.473
26 HG21 THR 4 HG21 THR 4 6.518 -0.871 1.292
27 HG22 THR 4 HG22 THR 4 6.993 0.739 1.834
28 HG23 THR 4 HG23 THR 4 7.260 0.259 0.159
29 H ALA 5 H ALA 5 6.678 3.594 -1.447
30 HA ALA 5 HA ALA 5 5.033 3.639 -3.746
31 HB1 ALA 5 HB1 ALA 5 7.725 3.714 -4.585
32 HB2 ALA 5 HB2 ALA 5 7.725 4.340 -2.936
33 HB3 ALA 5 HB3 ALA 5 6.709 5.093 -4.165
34 HA PRO 6 HA PRO 6 7.376 -0.165 -5.401
35 HB2 PRO 6 HB2 PRO 6 9.132 -1.467 -3.771
36 HB3 PRO 6 HB3 PRO 6 9.602 -0.095 -4.793
37 HG2 PRO 6 HG3 PRO 6 9.099 -0.194 -1.879
38 HG3 PRO 6 HG2 PRO 6 10.229 0.808 -2.799
39 HD2 PRO 6 HD3 PRO 6 7.790 1.653 -1.781
40 HD3 PRO 6 HD2 PRO 6 8.710 2.466 -3.064
41 H THR 7 H THR 7 5.001 -0.094 -3.742
42 HA THR 7 HA THR 7 3.498 -1.520 -2.600
43 HB THR 7 HB THR 7 3.292 -3.571 -3.743
44 HG1 THR 7 HG1 THR 7 5.992 -3.487 -4.539
45 HG21 THR 7 HG21 THR 7 3.347 -2.914 -5.949
46 HG22 THR 7 HG22 THR 7 4.960 -2.214 -5.807
47 HG23 THR 7 HG23 THR 7 3.564 -1.347 -5.167
48 H CYS 8 H CYS 8 3.745 -4.081 -1.615
49 HA CYS 8 HA CYS 8 5.791 -3.728 0.489
50 HB2 CYS 8 HB3 CYS 8 3.329 -5.478 0.248
51 HB3 CYS 8 HB2 CYS 8 4.372 -5.421 1.669
52 H THR 9 H THR 9 5.826 -4.962 -2.419
53 HA THR 9 HA THR 9 7.092 -6.597 -3.516
54 HB THR 9 HB THR 9 8.991 -7.408 -2.372
55 HG1 THR 9 HG1 THR 9 8.620 -8.423 -0.599
56 HG21 THR 9 HG21 THR 9 8.593 -5.193 -0.448
57 HG22 THR 9 HG22 THR 9 8.361 -4.773 -2.145
58 HG23 THR 9 HG23 THR 9 9.894 -5.459 -1.609
59 H TYR 10 H TYR 10 6.030 -8.331 -4.259
60 HA TYR 10 HA TYR 10 3.865 -9.629 -3.324
61 HB2 TYR 10 HB3 TYR 10 4.299 -11.125 -5.014
62 HB3 TYR 10 HB2 TYR 10 5.559 -9.953 -5.386
63 HD1 TYR 10 HD2 TYR 10 7.869 -10.316 -4.207
64 HD2 TYR 10 HD1 TYR 10 4.866 -13.359 -4.615
65 HE1 TYR 10 HE2 TYR 10 9.590 -12.063 -3.843
66 HE2 TYR 10 HE1 TYR 10 6.585 -15.107 -4.253
67 HH TYR 10 HH TYR 10 9.334 -14.723 -2.880
68 H ASN 11 H ASN 11 7.110 -10.241 -2.004
69 HA ASN 11 HA ASN 11 6.558 -12.680 -0.635
70 HB2 ASN 11 HB3 ASN 11 8.483 -10.431 -0.523
71 HB3 ASN 11 HB2 ASN 11 8.293 -11.307 0.996
72 HD21 ASN 11 HD22 ASN 11 10.556 -11.308 -1.097
73 HD22 ASN 11 HD21 ASN 11 10.792 -12.953 -1.444
74 H GLU 12 H GLU 12 5.527 -9.412 -0.097
75 HA GLU 12 HA GLU 12 4.920 -9.377 2.632
76 HB2 GLU 12 HB3 GLU 12 3.017 -7.845 1.843
77 HB3 GLU 12 HB2 GLU 12 4.629 -7.412 1.282
78 HG2 GLU 12 HG3 GLU 12 3.724 -7.393 -0.802
79 HG3 GLU 12 HG2 GLU 12 3.753 -9.157 -0.686
80 H CYS 13 H CYS 13 3.294 -10.979 -0.037
81 HA CYS 13 HA CYS 13 1.095 -11.957 1.697
82 HB2 CYS 13 HB3 CYS 13 0.052 -12.438 -0.361
83 HB3 CYS 13 HB2 CYS 13 1.019 -11.018 -0.745
84 H ARG 14 H ARG 14 4.043 -12.864 1.868
85 HA ARG 14 HA ARG 14 4.666 -15.336 0.846
86 HB2 ARG 14 HB3 ARG 14 5.979 -13.982 2.465
87 HB3 ARG 14 HB2 ARG 14 4.884 -14.485 3.750
88 HG2 ARG 14 HG3 ARG 14 5.913 -16.751 2.207
89 HG3 ARG 14 HG2 ARG 14 7.196 -15.819 2.978
90 HD2 ARG 14 HD3 ARG 14 4.740 -16.590 4.552
91 HD3 ARG 14 HD2 ARG 14 6.089 -17.728 4.366
92 HE ARG 14 HE ARG 14 6.812 -14.983 5.187
93 HH11 ARG 14 HH11 ARG 14 8.701 -17.178 5.650
94 HH12 ARG 14 HH12 ARG 14 8.441 -17.584 7.314
95 HH21 ARG 14 HH22 ARG 14 5.380 -15.968 7.506
96 HH22 ARG 14 HH21 ARG 14 6.563 -16.898 8.364
97 H GLY 15 H GLY 15 3.068 -16.866 0.475
98 HA2 GLY 15 HA3 GLY 15 2.321 -18.820 2.204
99 HA3 GLY 15 HA2 GLY 15 1.133 -17.568 2.577
100 H CYS 16 H CYS 16 0.010 -16.639 0.558
101 HA CYS 16 HA CYS 16 -1.349 -18.718 -0.848
102 HB2 CYS 16 HB3 CYS 16 -2.258 -16.772 -2.118
103 HB3 CYS 16 HB2 CYS 16 -2.275 -16.500 -0.381
104 H ARG 17 H ARG 17 -1.455 -18.371 -3.456
105 HA ARG 17 HA ARG 17 1.347 -18.274 -4.518
106 HB2 ARG 17 HB3 ARG 17 -0.722 -20.359 -5.264
107 HB3 ARG 17 HB2 ARG 17 1.002 -20.375 -5.631
108 HG2 ARG 17 HG3 ARG 17 1.155 -20.227 -2.954
109 HG3 ARG 17 HG2 ARG 17 -0.404 -21.042 -3.092
110 HD2 ARG 17 HD3 ARG 17 2.152 -21.976 -4.452
111 HD3 ARG 17 HD2 ARG 17 1.468 -22.684 -2.975
112 HE ARG 17 HE ARG 17 -0.663 -22.995 -4.434
113 HH11 ARG 17 HH22 ARG 17 2.041 -24.670 -4.827
114 HH12 ARG 17 HH21 ARG 17 1.934 -24.925 -6.536
115 HH21 ARG 17 HH11 ARG 17 -0.588 -22.590 -6.994
116 HH22 ARG 17 HH12 ARG 17 0.445 -23.748 -7.763
117 H TYR 18 H TYR 18 0.222 -16.068 -5.116
118 HA TYR 18 HA TYR 18 -0.797 -16.337 -7.894
119 HB2 TYR 18 HB3 TYR 18 -2.257 -14.921 -5.640
120 HB3 TYR 18 HB2 TYR 18 -2.742 -14.892 -7.333
121 HD1 TYR 18 HD2 TYR 18 -3.111 -17.183 -8.492
122 HD2 TYR 18 HD1 TYR 18 -3.024 -16.645 -4.233
123 HE1 TYR 18 HE2 TYR 18 -4.336 -19.314 -8.202
124 HE2 TYR 18 HE1 TYR 18 -4.251 -18.777 -3.940
125 HH TYR 18 HH TYR 18 -4.573 -21.060 -6.348
126 H LYS 19 H LYS 19 -1.600 -13.621 -8.095
127 HA LYS 19 HA LYS 19 1.026 -12.295 -8.217
128 HB2 LYS 19 HB3 LYS 19 -1.744 -11.263 -8.916
129 HB3 LYS 19 HB2 LYS 19 -0.202 -10.670 -9.533
130 HG2 LYS 19 HG3 LYS 19 -0.847 -13.565 -9.948
131 HG3 LYS 19 HG2 LYS 19 -1.690 -12.381 -10.943
132 HD2 LYS 19 HD3 LYS 19 0.142 -12.056 -12.212
133 HD3 LYS 19 HD2 LYS 19 1.122 -11.717 -10.787
134 HE2 LYS 19 HE3 LYS 19 2.200 -13.654 -11.394
135 HE3 LYS 19 HE2 LYS 19 0.828 -14.439 -10.587
136 HZ1 LYS 19 HZ1 LYS 19 1.097 -13.779 -13.467
137 HZ2 LYS 19 HZ2 LYS 19 -0.381 -14.210 -12.756
138 HZ3 LYS 19 HZ3 LYS 19 0.907 -15.316 -12.771
139 H CYS 20 H CYS 20 1.627 -10.551 -6.867
140 HA CYS 20 HA CYS 20 -0.383 -9.703 -4.809
141 HB2 CYS 20 HB3 CYS 20 2.528 -10.452 -4.410
142 HB3 CYS 20 HB2 CYS 20 1.422 -9.921 -3.141
143 H ARG 21 H ARG 21 -0.187 -7.558 -4.103
144 HA ARG 21 HA ARG 21 2.063 -5.850 -4.841
145 HB2 ARG 21 HB3 ARG 21 0.267 -6.370 -6.836
146 HB3 ARG 21 HB2 ARG 21 -0.432 -4.930 -6.102
147 HG2 ARG 21 HG3 ARG 21 1.463 -3.619 -6.537
148 HG3 ARG 21 HG2 ARG 21 2.503 -5.030 -6.740
149 HD2 ARG 21 HD3 ARG 21 0.234 -4.891 -8.639
150 HD3 ARG 21 HD2 ARG 21 1.464 -3.628 -8.839
151 HE ARG 21 HE ARG 21 2.392 -6.433 -8.514
152 HH11 ARG 21 HH11 ARG 21 3.677 -3.696 -9.549
153 HH12 ARG 21 HH12 ARG 21 3.978 -4.160 -11.191
154 HH21 ARG 21 HH22 ARG 21 2.017 -7.012 -11.027
155 HH22 ARG 21 HH21 ARG 21 3.039 -6.035 -12.027
156 H ALA 22 H ALA 22 1.399 -3.480 -4.307
157 HA ALA 22 HA ALA 22 -0.614 -3.496 -2.090
158 HB1 ALA 22 HB1 ALA 22 1.216 -3.264 -0.768
159 HB2 ALA 22 HB2 ALA 22 1.354 -1.636 -1.431
160 HB3 ALA 22 HB3 ALA 22 2.262 -2.963 -2.154
161 H GLU 23 H GLU 23 -2.033 -1.759 -2.151
162 HA GLU 23 HA GLU 23 -1.337 0.640 -3.763
163 HB2 GLU 23 HB3 GLU 23 -3.457 0.347 -5.058
164 HB3 GLU 23 HB2 GLU 23 -2.315 -0.968 -5.333
165 HG2 GLU 23 HG3 GLU 23 -3.646 -2.511 -4.313
166 HG3 GLU 23 HG2 GLU 23 -4.178 -1.379 -3.070
167 H GLN 24 H GLN 24 -3.108 2.329 -3.513
168 HA GLN 24 HA GLN 24 -3.807 2.659 -0.741
169 HB2 GLN 24 HB3 GLN 24 -3.267 4.471 -2.358
170 HB3 GLN 24 HB2 GLN 24 -4.758 4.107 -3.229
171 HG2 GLN 24 HG3 GLN 24 -6.104 4.704 -1.311
172 HG3 GLN 24 HG2 GLN 24 -4.668 4.876 -0.300
173 HE21 GLN 24 HE22 GLN 24 -5.188 6.047 -3.659
174 HE22 GLN 24 HE21 GLN 24 -4.943 7.685 -3.286
175 H VAL 25 H VAL 25 -5.413 1.433 0.173
176 HA VAL 25 HA VAL 25 -7.700 0.503 -1.448
177 HB VAL 25 HB VAL 25 -6.502 -0.970 0.135
178 HG11 VAL 25 HG11 VAL 25 -6.464 1.277 1.776
179 HG12 VAL 25 HG12 VAL 25 -5.993 -0.354 2.252
180 HG13 VAL 25 HG13 VAL 25 -7.632 0.215 2.562
181 HG21 VAL 25 HG21 VAL 25 -9.007 -1.163 -0.332
182 HG22 VAL 25 HG22 VAL 25 -9.260 -0.379 1.227
183 HG23 VAL 25 HG23 VAL 25 -8.438 -1.937 1.147
184 HA PRO 26 HA PRO 26 -9.883 4.168 -0.003
185 HB2 PRO 26 HB2 PRO 26 -12.109 3.792 -1.555
186 HB3 PRO 26 HB3 PRO 26 -10.605 4.501 -2.178
187 HG2 PRO 26 HG3 PRO 26 -11.651 1.729 -2.459
188 HG3 PRO 26 HG2 PRO 26 -10.792 2.738 -3.634
189 HD2 PRO 26 HD3 PRO 26 -9.605 0.733 -2.213
190 HD3 PRO 26 HD2 PRO 26 -8.732 2.157 -2.822
191 H VAL 27 H VAL 27 -10.429 3.590 2.107
192 HA VAL 27 HA VAL 27 -12.508 1.512 2.544
193 HB VAL 27 HB VAL 27 -10.314 1.607 3.792
194 HG11 VAL 27 HG11 VAL 27 -10.264 4.117 3.951
195 HG12 VAL 27 HG12 VAL 27 -9.993 3.306 5.492
196 HG13 VAL 27 HG13 VAL 27 -11.566 4.019 5.136
197 HG21 VAL 27 HG21 VAL 27 -11.278 0.839 5.771
198 HG22 VAL 27 HG22 VAL 27 -12.623 0.688 4.640
199 HG23 VAL 27 HG23 VAL 27 -12.549 2.061 5.745
200 H GLU 28 H GLU 28 -11.909 4.974 3.100
201 HA GLU 28 HA GLU 28 -14.402 5.481 4.462
202 HB2 GLU 28 HB3 GLU 28 -12.039 6.769 4.109
203 HB3 GLU 28 HB2 GLU 28 -13.040 7.632 2.939
204 HG2 GLU 28 HG3 GLU 28 -14.336 8.591 4.557
205 HG3 GLU 28 HG2 GLU 28 -14.293 7.158 5.584
206 H GLY 29 H GLY 29 -15.360 7.729 3.043
207 HA2 GLY 29 HA3 GLY 29 -16.061 8.146 0.627
208 HA3 GLY 29 HA2 GLY 29 -16.478 6.432 0.588
209 H ASN 30 H ASN 30 -17.042 8.667 3.279
210 HA ASN 30 HA ASN 30 -19.762 7.817 3.612
211 HB2 ASN 30 HB3 ASN 30 -17.788 9.508 4.876
212 HB3 ASN 30 HB2 ASN 30 -19.354 10.315 4.864
213 HD21 ASN 30 HD22 ASN 30 -17.546 7.643 6.232
214 HD22 ASN 30 HD21 ASN 30 -18.776 7.083 7.258
215 H ASP 31 H ASP 31 -18.589 11.075 2.873
216 HA ASP 31 HA ASP 31 -20.210 11.494 0.554
217 HB2 ASP 31 HB3 ASP 31 -21.465 11.712 3.178
218 HB3 ASP 31 HB2 ASP 31 -21.600 13.215 2.267
219 HA PRO 32 HA PRO 32 -18.534 15.710 2.044
220 HB2 PRO 32 HB2 PRO 32 -17.453 15.878 4.554
221 HB3 PRO 32 HB3 PRO 32 -19.173 16.163 4.225
222 HG2 PRO 32 HG3 PRO 32 -17.829 13.740 5.311
223 HG3 PRO 32 HG2 PRO 32 -19.375 14.473 5.768
224 HD2 PRO 32 HD3 PRO 32 -19.177 12.274 4.181
225 HD3 PRO 32 HD2 PRO 32 -20.517 13.433 4.077
226 H ILE 33 H ILE 33 -16.087 16.323 3.310
227 HA ILE 33 HA ILE 33 -14.126 15.340 1.569
228 HB ILE 33 HB ILE 33 -14.146 17.275 3.270
229 HG12 ILE 33 HG13 ILE 33 -12.199 16.710 1.851
230 HG13 ILE 33 HG12 ILE 33 -11.697 17.285 3.438
231 HG21 ILE 33 HG21 ILE 33 -12.950 15.175 5.092
232 HG22 ILE 33 HG22 ILE 33 -14.620 15.727 5.220
233 HG23 ILE 33 HG23 ILE 33 -13.295 16.863 5.472
234 HD11 ILE 33 HD11 ILE 33 -11.787 14.676 4.005
235 HD12 ILE 33 HD12 ILE 33 -10.360 15.410 3.276
236 HD13 ILE 33 HD13 ILE 33 -11.516 14.542 2.268
237 H ASN 34 H ASN 34 -13.161 13.359 1.363
238 HA ASN 34 HA ASN 34 -12.915 11.596 3.759
239 HB2 ASN 34 HB3 ASN 34 -13.817 9.720 2.354
240 HB3 ASN 34 HB2 ASN 34 -15.006 10.987 2.655
241 HD21 ASN 34 HD22 ASN 34 -15.427 12.537 0.852
242 HD22 ASN 34 HD21 ASN 34 -15.097 12.077 -0.748
243 H SER 35 H SER 35 -10.660 12.686 3.085
244 HA SER 35 HA SER 35 -9.333 11.270 0.850
245 HB2 SER 35 HB3 SER 35 -7.420 12.782 1.920
246 HB3 SER 35 HB2 SER 35 -8.684 13.496 0.927
247 HG SER 35 HG SER 35 -8.559 14.649 2.829
248 H ALA 36 H ALA 36 -9.940 10.654 4.113
249 HA ALA 36 HA ALA 36 -7.478 9.658 5.111
250 HB1 ALA 36 HB1 ALA 36 -8.819 8.934 6.841
251 HB2 ALA 36 HB2 ALA 36 -10.031 8.259 5.751
252 HB3 ALA 36 HB3 ALA 36 -9.979 9.998 6.047
253 H TYR 37 H TYR 37 -6.432 8.489 3.372
254 HA TYR 37 HA TYR 37 -7.551 5.742 2.947
255 HB2 TYR 37 HB3 TYR 37 -6.372 7.689 0.940
256 HB3 TYR 37 HB2 TYR 37 -6.663 5.987 0.584
257 HD1 TYR 37 HD1 TYR 37 -9.207 5.429 1.919
258 HD2 TYR 37 HD2 TYR 37 -7.970 8.923 -0.255
259 HE1 TYR 37 HE1 TYR 37 -11.573 5.943 1.395
260 HE2 TYR 37 HE2 TYR 37 -10.338 9.435 -0.777
261 HH TYR 37 HH TYR 37 -12.856 7.191 -0.280
262 H HIS 38 H HIS 38 -5.939 4.103 2.923
263 HA HIS 38 HA HIS 38 -3.129 5.023 3.396
264 HB2 HIS 38 HB3 HIS 38 -3.228 2.746 4.785
265 HB3 HIS 38 HB2 HIS 38 -3.729 4.271 5.501
266 HD1 HIS 38 HD1 HIS 38 -4.941 0.919 4.622
267 HD2 HIS 38 HD2 HIS 38 -6.670 4.624 5.429
268 HE1 HIS 38 HE1 HIS 38 -7.391 0.480 5.088
269 H TYR 39 H TYR 39 -1.607 3.023 3.128
270 HA TYR 39 HA TYR 39 -2.314 1.696 0.544
271 HB2 TYR 39 HB3 TYR 39 0.032 2.929 1.762
272 HB3 TYR 39 HB2 TYR 39 0.398 1.309 1.167
273 HD1 TYR 39 HD1 TYR 39 -1.310 4.484 0.144
274 HD2 TYR 39 HD2 TYR 39 0.833 0.978 -1.111
275 HE1 TYR 39 HE1 TYR 39 -1.254 5.350 -2.179
276 HE2 TYR 39 HE2 TYR 39 0.889 1.845 -3.433
277 HH TYR 39 HH TYR 39 0.758 4.074 -4.566
278 H ARG 40 H ARG 40 -2.264 -0.568 0.399
279 HA ARG 40 HA ARG 40 -1.419 -2.118 2.807
280 HB2 ARG 40 HB3 ARG 40 -3.582 -3.385 2.586
281 HB3 ARG 40 HB2 ARG 40 -3.808 -1.693 3.029
282 HG2 ARG 40 HG3 ARG 40 -4.688 -1.125 0.974
283 HG3 ARG 40 HG2 ARG 40 -3.770 -2.365 0.120
284 HD2 ARG 40 HD3 ARG 40 -5.286 -4.029 1.511
285 HD3 ARG 40 HD2 ARG 40 -6.368 -2.625 1.605
286 HE ARG 40 HE ARG 40 -5.289 -3.193 -1.077
287 HH11 ARG 40 HH11 ARG 40 -7.272 -5.158 0.570
288 HH12 ARG 40 HH12 ARG 40 -8.720 -4.831 -0.321
289 HH21 ARG 40 HH22 ARG 40 -7.402 -2.077 -1.965
290 HH22 ARG 40 HH21 ARG 40 -8.794 -3.086 -1.757
291 H CYS 41 H CYS 41 -1.062 -4.420 2.277
292 HA CYS 41 HA CYS 41 -0.238 -4.789 -0.557
293 HB2 CYS 41 HB3 CYS 41 0.406 -6.896 1.399
294 HB3 CYS 41 HB2 CYS 41 1.466 -6.004 0.325
295 H VAL 42 H VAL 42 -1.413 -6.198 -1.870
296 HA VAL 42 HA VAL 42 -3.376 -8.000 -0.514
297 HB VAL 42 HB VAL 42 -4.794 -7.439 -2.505
298 HG11 VAL 42 HG11 VAL 42 -4.091 -4.852 -1.191
299 HG12 VAL 42 HG12 VAL 42 -4.640 -6.181 -0.169
300 HG13 VAL 42 HG13 VAL 42 -5.679 -5.573 -1.458
301 HG21 VAL 42 HG21 VAL 42 -3.105 -5.038 -2.998
302 HG22 VAL 42 HG22 VAL 42 -4.139 -5.928 -4.116
303 HG23 VAL 42 HG23 VAL 42 -2.554 -6.567 -3.683
304 H CYS 43 H CYS 43 -3.819 -9.973 -1.624
305 HA CYS 43 HA CYS 43 -1.804 -10.766 -3.659
306 HB2 CYS 43 HB3 CYS 43 -1.603 -11.863 -1.471
307 HB3 CYS 43 HB2 CYS 43 -3.292 -12.352 -1.547
308 H HIS 44 H HIS 44 -2.874 -10.664 -5.633
309 HA HIS 44 HA HIS 44 -5.548 -12.016 -5.791
310 HB2 HIS 44 HB3 HIS 44 -5.730 -10.280 -7.809
311 HB3 HIS 44 HB2 HIS 44 -6.143 -9.808 -6.165
312 HD1 HIS 44 HD1 HIS 44 -3.231 -9.647 -8.606
313 HD2 HIS 44 HD2 HIS 44 -4.558 -7.755 -5.136
314 HE1 HIS 44 HE1 HIS 44 -1.676 -7.686 -8.220
315 H ARG 45 H ARG 45 -5.986 -12.602 -8.204
316 HA ARG 45 HA ARG 45 -3.694 -14.168 -9.143
317 HB2 ARG 45 HB3 ARG 45 -6.545 -13.876 -10.129
318 HB3 ARG 45 HB2 ARG 45 -5.407 -15.113 -10.662
319 HG2 ARG 45 HG3 ARG 45 -5.693 -16.356 -8.786
320 HG3 ARG 45 HG2 ARG 45 -5.684 -14.938 -7.737
321 HD2 ARG 45 HD3 ARG 45 -7.969 -14.725 -7.793
322 HD3 ARG 45 HD2 ARG 45 -8.071 -15.233 -9.490
323 HE ARG 45 HE ARG 45 -7.234 -17.337 -7.608
324 HH11 ARG 45 HH11 ARG 45 -8.526 -17.894 -10.247
325 HH12 ARG 45 HH12 ARG 45 -10.140 -18.317 -9.782
326 HH21 ARG 45 HH22 ARG 45 -9.863 -16.970 -6.599
327 HH22 ARG 45 HH21 ARG 45 -10.897 -17.793 -7.718
Start of MODEL 5
1 H1 ILE 1 H1 ILE 1 4.577 9.064 -13.794
2 H2 ILE 1 H2 ILE 1 3.871 7.973 -12.700
3 H3 ILE 1 H3 ILE 1 2.918 8.724 -13.890
4 HA ILE 1 HA ILE 1 3.488 6.366 -14.409
5 HB ILE 1 HB ILE 1 2.807 8.052 -16.067
6 HG12 ILE 1 HG13 ILE 1 4.151 7.141 -18.046
7 HG13 ILE 1 HG12 ILE 1 5.085 6.225 -16.864
8 HG21 ILE 1 HG21 ILE 1 5.597 8.950 -15.639
9 HG22 ILE 1 HG22 ILE 1 4.167 9.883 -16.078
10 HG23 ILE 1 HG23 ILE 1 5.044 8.981 -17.313
11 HD11 ILE 1 HD11 ILE 1 2.745 5.442 -15.997
12 HD12 ILE 1 HD12 ILE 1 3.402 4.704 -17.458
13 HD13 ILE 1 HD13 ILE 1 2.175 5.965 -17.582
14 H GLY 2 H GLY 2 5.190 4.919 -15.080
15 HA2 GLY 2 HA3 GLY 2 7.567 4.522 -15.602
16 HA3 GLY 2 HA2 GLY 2 7.967 5.896 -14.569
17 H SER 3 H SER 3 8.298 5.532 -12.395
18 HA SER 3 HA SER 3 8.483 2.749 -11.495
19 HB2 SER 3 HB3 SER 3 9.542 3.777 -9.568
20 HB3 SER 3 HB2 SER 3 10.111 4.611 -11.010
21 HG SER 3 HG SER 3 8.537 5.501 -8.932
22 H THR 4 H THR 4 6.824 1.685 -10.511
23 HA THR 4 HA THR 4 4.281 2.826 -9.932
24 HB THR 4 HB THR 4 5.696 0.339 -9.012
25 HG1 THR 4 HG1 THR 4 5.118 -0.367 -10.882
26 HG21 THR 4 HG21 THR 4 2.805 1.163 -8.716
27 HG22 THR 4 HG22 THR 4 3.926 0.710 -7.431
28 HG23 THR 4 HG23 THR 4 3.351 -0.508 -8.570
29 H ALA 5 H ALA 5 3.284 2.835 -7.683
30 HA ALA 5 HA ALA 5 4.502 4.636 -5.910
31 HB1 ALA 5 HB1 ALA 5 2.878 2.993 -4.353
32 HB2 ALA 5 HB2 ALA 5 2.246 2.787 -5.986
33 HB3 ALA 5 HB3 ALA 5 2.340 4.398 -5.274
34 HA PRO 6 HA PRO 6 7.364 2.381 -3.454
35 HB2 PRO 6 HB2 PRO 6 6.600 2.836 -0.855
36 HB3 PRO 6 HB3 PRO 6 7.383 4.075 -1.858
37 HG2 PRO 6 HG3 PRO 6 4.490 3.703 -1.229
38 HG3 PRO 6 HG2 PRO 6 5.443 5.195 -1.311
39 HD2 PRO 6 HD3 PRO 6 3.804 4.416 -3.312
40 HD3 PRO 6 HD2 PRO 6 5.309 5.315 -3.610
41 H THR 7 H THR 7 6.037 0.541 -4.482
42 HA THR 7 HA THR 7 4.007 -0.950 -3.437
43 HB THR 7 HB THR 7 5.751 -2.906 -4.181
44 HG1 THR 7 HG1 THR 7 7.048 -1.893 -5.813
45 HG21 THR 7 HG21 THR 7 4.945 -2.311 -6.533
46 HG22 THR 7 HG22 THR 7 4.160 -0.916 -5.791
47 HG23 THR 7 HG23 THR 7 3.698 -2.549 -5.309
48 H CYS 8 H CYS 8 3.616 -2.086 -1.654
49 HA CYS 8 HA CYS 8 5.014 -2.015 0.738
50 HB2 CYS 8 HB3 CYS 8 3.684 -4.144 1.205
51 HB3 CYS 8 HB2 CYS 8 2.733 -2.805 0.565
52 H THR 9 H THR 9 5.474 -4.110 -1.987
53 HA THR 9 HA THR 9 7.455 -5.291 -2.613
54 HB THR 9 HB THR 9 9.175 -5.785 -1.000
55 HG1 THR 9 HG1 THR 9 8.378 -6.419 0.829
56 HG21 THR 9 HG21 THR 9 8.245 -3.175 -1.462
57 HG22 THR 9 HG22 THR 9 9.859 -3.647 -0.932
58 HG23 THR 9 HG23 THR 9 8.626 -3.235 0.259
59 H TYR 10 H TYR 10 6.709 -7.204 -3.275
60 HA TYR 10 HA TYR 10 4.665 -8.754 -2.442
61 HB2 TYR 10 HB3 TYR 10 6.203 -9.093 -4.392
62 HB3 TYR 10 HB2 TYR 10 7.362 -9.848 -3.300
63 HD1 TYR 10 HD2 TYR 10 6.494 -11.846 -1.866
64 HD2 TYR 10 HD1 TYR 10 4.523 -10.389 -5.393
65 HE1 TYR 10 HE2 TYR 10 5.299 -14.007 -2.090
66 HE2 TYR 10 HE1 TYR 10 3.330 -12.551 -5.619
67 HH TYR 10 HH TYR 10 2.645 -14.432 -4.152
68 H ASN 11 H ASN 11 7.787 -8.680 -0.762
69 HA ASN 11 HA ASN 11 7.580 -11.043 0.779
70 HB2 ASN 11 HB3 ASN 11 8.781 -8.306 1.287
71 HB3 ASN 11 HB2 ASN 11 9.039 -9.676 2.368
72 HD21 ASN 11 HD22 ASN 11 10.435 -11.393 1.646
73 HD22 ASN 11 HD21 ASN 11 11.342 -11.288 0.215
74 H GLU 12 H GLU 12 5.828 -8.037 0.950
75 HA GLU 12 HA GLU 12 5.003 -8.245 3.689
76 HB2 GLU 12 HB3 GLU 12 3.606 -6.934 1.343
77 HB3 GLU 12 HB2 GLU 12 3.376 -6.532 3.037
78 HG2 GLU 12 HG3 GLU 12 5.584 -5.785 1.187
79 HG3 GLU 12 HG2 GLU 12 4.880 -4.883 2.525
80 H CYS 13 H CYS 13 3.504 -9.175 0.595
81 HA CYS 13 HA CYS 13 1.189 -10.447 1.822
82 HB2 CYS 13 HB3 CYS 13 1.249 -9.347 -0.402
83 HB3 CYS 13 HB2 CYS 13 2.403 -10.558 -0.960
84 H ARG 14 H ARG 14 4.358 -11.394 1.878
85 HA ARG 14 HA ARG 14 4.665 -13.962 0.899
86 HB2 ARG 14 HB3 ARG 14 6.243 -12.522 2.263
87 HB3 ARG 14 HB2 ARG 14 5.402 -13.083 3.705
88 HG2 ARG 14 HG3 ARG 14 6.688 -14.922 3.703
89 HG3 ARG 14 HG2 ARG 14 5.997 -15.377 2.148
90 HD2 ARG 14 HD3 ARG 14 7.949 -14.918 1.098
91 HD3 ARG 14 HD2 ARG 14 7.975 -13.282 1.786
92 HE ARG 14 HE ARG 14 8.783 -15.600 3.485
93 HH11 ARG 14 HH11 ARG 14 8.944 -12.674 4.323
94 HH12 ARG 14 HH12 ARG 14 10.632 -12.353 4.100
95 HH21 ARG 14 HH22 ARG 14 11.177 -15.168 2.148
96 HH22 ARG 14 HH21 ARG 14 11.896 -13.767 2.868
97 H GLY 15 H GLY 15 2.913 -15.377 0.906
98 HA2 GLY 15 HA3 GLY 15 2.362 -16.987 3.143
99 HA3 GLY 15 HA2 GLY 15 1.118 -15.735 3.124
100 H CYS 16 H CYS 16 0.243 -15.387 0.728
101 HA CYS 16 HA CYS 16 -1.035 -17.855 -0.055
102 HB2 CYS 16 HB3 CYS 16 -2.031 -16.380 -1.758
103 HB3 CYS 16 HB2 CYS 16 -2.008 -15.572 -0.198
104 H ARG 17 H ARG 17 -0.909 -17.447 -2.942
105 HA ARG 17 HA ARG 17 1.939 -17.882 -3.653
106 HB2 ARG 17 HB3 ARG 17 1.340 -20.085 -4.671
107 HB3 ARG 17 HB2 ARG 17 1.111 -20.069 -2.922
108 HG2 ARG 17 HG3 ARG 17 -1.251 -19.197 -4.462
109 HG3 ARG 17 HG2 ARG 17 -0.792 -20.881 -4.726
110 HD2 ARG 17 HD3 ARG 17 -0.727 -20.022 -1.891
111 HD3 ARG 17 HD2 ARG 17 -2.341 -20.062 -2.630
112 HE ARG 17 HE ARG 17 -2.144 -22.411 -2.793
113 HH11 ARG 17 HH22 ARG 17 0.006 -21.988 -0.584
114 HH12 ARG 17 HH21 ARG 17 1.273 -22.995 -1.199
115 HH21 ARG 17 HH11 ARG 17 -0.113 -23.256 -4.368
116 HH22 ARG 17 HH12 ARG 17 1.206 -23.714 -3.342
117 H TYR 18 H TYR 18 0.286 -15.735 -4.416
118 HA TYR 18 HA TYR 18 0.022 -16.255 -7.344
119 HB2 TYR 18 HB3 TYR 18 -2.027 -14.986 -5.498
120 HB3 TYR 18 HB2 TYR 18 -2.159 -15.029 -7.256
121 HD1 TYR 18 HD1 TYR 18 -1.475 -17.563 -8.173
122 HD2 TYR 18 HD2 TYR 18 -3.360 -16.570 -4.445
123 HE1 TYR 18 HE1 TYR 18 -2.449 -19.838 -8.062
124 HE2 TYR 18 HE2 TYR 18 -4.333 -18.845 -4.331
125 HH TYR 18 HH TYR 18 -3.517 -21.252 -5.456
126 H LYS 19 H LYS 19 -1.133 -13.581 -7.746
127 HA LYS 19 HA LYS 19 1.349 -12.027 -7.710
128 HB2 LYS 19 HB3 LYS 19 -1.491 -11.318 -8.521
129 HB3 LYS 19 HB2 LYS 19 -0.032 -10.445 -8.986
130 HG2 LYS 19 HG3 LYS 19 -0.084 -13.365 -9.581
131 HG3 LYS 19 HG2 LYS 19 -1.140 -12.339 -10.550
132 HD2 LYS 19 HD3 LYS 19 0.625 -11.677 -11.777
133 HD3 LYS 19 HD2 LYS 19 1.382 -11.017 -10.327
134 HE2 LYS 19 HE3 LYS 19 2.346 -13.236 -9.808
135 HE3 LYS 19 HE2 LYS 19 1.595 -13.899 -11.273
136 HZ1 LYS 19 HZ1 LYS 19 2.740 -12.162 -12.557
137 HZ2 LYS 19 HZ2 LYS 19 3.831 -13.203 -11.781
138 HZ3 LYS 19 HZ3 LYS 19 3.539 -11.654 -11.147
139 H CYS 20 H CYS 20 1.775 -10.224 -6.394
140 HA CYS 20 HA CYS 20 -0.326 -9.460 -4.400
141 HB2 CYS 20 HB3 CYS 20 2.605 -10.094 -3.945
142 HB3 CYS 20 HB2 CYS 20 1.541 -9.407 -2.719
143 H ARG 21 H ARG 21 -0.355 -7.257 -3.889
144 HA ARG 21 HA ARG 21 1.827 -5.437 -4.598
145 HB2 ARG 21 HB3 ARG 21 -0.009 -6.214 -6.588
146 HB3 ARG 21 HB2 ARG 21 -0.521 -4.607 -6.079
147 HG2 ARG 21 HG3 ARG 21 1.056 -3.986 -7.633
148 HG3 ARG 21 HG2 ARG 21 2.110 -4.141 -6.226
149 HD2 ARG 21 HD3 ARG 21 3.204 -5.918 -7.128
150 HD3 ARG 21 HD2 ARG 21 1.687 -6.696 -7.618
151 HE ARG 21 HE ARG 21 1.656 -5.150 -9.585
152 HH11 ARG 21 HH11 ARG 21 3.955 -3.531 -8.143
153 HH12 ARG 21 HH12 ARG 21 5.253 -3.859 -9.242
154 HH21 ARG 21 HH22 ARG 21 3.587 -6.438 -10.855
155 HH22 ARG 21 HH21 ARG 21 5.045 -5.505 -10.778
156 H ALA 22 H ALA 22 1.502 -3.412 -3.621
157 HA ALA 22 HA ALA 22 -0.673 -3.316 -1.625
158 HB1 ALA 22 HB1 ALA 22 0.871 -1.064 -1.344
159 HB2 ALA 22 HB2 ALA 22 1.996 -2.176 -2.117
160 HB3 ALA 22 HB3 ALA 22 1.230 -2.617 -0.593
161 H GLU 23 H GLU 23 -2.536 -2.212 -2.046
162 HA GLU 23 HA GLU 23 -2.510 -0.164 -4.234
163 HB2 GLU 23 HB3 GLU 23 -4.055 -2.447 -3.765
164 HB3 GLU 23 HB2 GLU 23 -5.108 -1.113 -3.295
165 HG2 GLU 23 HG3 GLU 23 -3.565 -0.897 -5.856
166 HG3 GLU 23 HG2 GLU 23 -5.011 -1.907 -5.816
167 H GLN 24 H GLN 24 -3.247 1.910 -3.771
168 HA GLN 24 HA GLN 24 -3.296 2.819 -1.044
169 HB2 GLN 24 HB3 GLN 24 -2.592 4.134 -3.036
170 HB3 GLN 24 HB2 GLN 24 -4.259 4.124 -3.609
171 HG2 GLN 24 HG3 GLN 24 -3.912 5.042 -0.820
172 HG3 GLN 24 HG2 GLN 24 -3.202 6.096 -2.043
173 HE21 GLN 24 HE22 GLN 24 -4.895 7.729 -1.678
174 HE22 GLN 24 HE21 GLN 24 -6.474 7.486 -2.251
175 H VAL 25 H VAL 25 -5.060 3.126 0.318
176 HA VAL 25 HA VAL 25 -7.781 2.632 -0.837
177 HB VAL 25 HB VAL 25 -7.965 1.845 1.776
178 HG11 VAL 25 HG11 VAL 25 -6.941 -0.163 -0.181
179 HG12 VAL 25 HG12 VAL 25 -8.414 0.715 -0.593
180 HG13 VAL 25 HG13 VAL 25 -8.345 -0.248 0.883
181 HG21 VAL 25 HG21 VAL 25 -6.022 0.554 2.387
182 HG22 VAL 25 HG22 VAL 25 -5.467 2.184 2.008
183 HG23 VAL 25 HG23 VAL 25 -5.250 0.883 0.836
184 HA PRO 26 HA PRO 26 -8.856 6.457 1.048
185 HB2 PRO 26 HB2 PRO 26 -11.542 6.086 1.409
186 HB3 PRO 26 HB3 PRO 26 -10.814 6.374 -0.184
187 HG2 PRO 26 HG3 PRO 26 -11.726 3.827 1.047
188 HG3 PRO 26 HG2 PRO 26 -11.831 4.370 -0.634
189 HD2 PRO 26 HD3 PRO 26 -9.961 2.593 0.285
190 HD3 PRO 26 HD2 PRO 26 -9.729 3.633 -1.137
191 H VAL 27 H VAL 27 -8.277 6.890 3.139
192 HA VAL 27 HA VAL 27 -9.787 5.580 5.349
193 HB VAL 27 HB VAL 27 -6.764 5.693 5.090
194 HG11 VAL 27 HG11 VAL 27 -8.651 4.948 7.282
195 HG12 VAL 27 HG12 VAL 27 -7.067 5.716 7.381
196 HG13 VAL 27 HG13 VAL 27 -7.189 3.980 7.095
197 HG21 VAL 27 HG21 VAL 27 -7.060 3.156 5.067
198 HG22 VAL 27 HG22 VAL 27 -7.579 3.996 3.606
199 HG23 VAL 27 HG23 VAL 27 -8.776 3.450 4.783
200 H GLU 28 H GLU 28 -9.268 8.379 4.027
201 HA GLU 28 HA GLU 28 -9.438 9.912 6.466
202 HB2 GLU 28 HB3 GLU 28 -7.247 11.090 6.139
203 HB3 GLU 28 HB2 GLU 28 -7.053 9.380 6.525
204 HG2 GLU 28 HG3 GLU 28 -7.297 9.987 3.640
205 HG3 GLU 28 HG2 GLU 28 -5.837 10.606 4.411
206 H GLY 29 H GLY 29 -9.925 12.150 6.008
207 HA2 GLY 29 HA3 GLY 29 -9.672 13.401 3.477
208 HA3 GLY 29 HA2 GLY 29 -11.263 12.645 3.540
209 H ASN 30 H ASN 30 -9.533 14.053 6.294
210 HA ASN 30 HA ASN 30 -11.810 15.539 7.187
211 HB2 ASN 30 HB3 ASN 30 -8.849 15.597 7.785
212 HB3 ASN 30 HB2 ASN 30 -10.007 16.599 8.662
213 HD21 ASN 30 HD22 ASN 30 -8.380 13.783 9.040
214 HD22 ASN 30 HD21 ASN 30 -9.519 12.886 9.923
215 H ASP 31 H ASP 31 -8.707 17.016 6.368
216 HA ASP 31 HA ASP 31 -9.728 18.727 4.292
217 HB2 ASP 31 HB3 ASP 31 -10.061 19.479 7.102
218 HB3 ASP 31 HB2 ASP 31 -9.212 20.711 6.167
219 HA PRO 32 HA PRO 32 -5.330 20.171 5.392
220 HB2 PRO 32 HB2 PRO 32 -4.201 19.367 7.746
221 HB3 PRO 32 HB3 PRO 32 -5.194 20.833 7.615
222 HG2 PRO 32 HG3 PRO 32 -5.924 18.140 8.647
223 HG3 PRO 32 HG2 PRO 32 -6.387 19.742 9.243
224 HD2 PRO 32 HD3 PRO 32 -8.024 18.159 7.735
225 HD3 PRO 32 HD2 PRO 32 -8.121 19.933 7.764
226 H ILE 33 H ILE 33 -4.624 18.696 3.800
227 HA ILE 33 HA ILE 33 -3.854 16.656 2.875
228 HB ILE 33 HB ILE 33 -1.968 17.882 4.029
229 HG12 ILE 33 HG13 ILE 33 -1.725 14.863 4.049
230 HG13 ILE 33 HG12 ILE 33 -1.652 15.859 2.596
231 HG21 ILE 33 HG21 ILE 33 -1.091 16.666 6.107
232 HG22 ILE 33 HG22 ILE 33 -2.690 15.939 6.233
233 HG23 ILE 33 HG23 ILE 33 -2.507 17.688 6.341
234 HD11 ILE 33 HD11 ILE 33 0.387 15.420 4.669
235 HD12 ILE 33 HD12 ILE 33 0.154 17.118 4.254
236 HD13 ILE 33 HD13 ILE 33 0.580 15.954 2.999
237 H ASN 34 H ASN 34 -6.201 16.270 4.496
238 HA ASN 34 HA ASN 34 -7.325 14.659 5.838
239 HB2 ASN 34 HB3 ASN 34 -6.886 12.352 4.669
240 HB3 ASN 34 HB2 ASN 34 -7.607 13.665 3.743
241 HD21 ASN 34 HD22 ASN 34 -6.153 14.859 2.234
242 HD22 ASN 34 HD21 ASN 34 -4.738 14.119 1.659
243 H SER 35 H SER 35 -4.886 12.225 5.280
244 HA SER 35 HA SER 35 -3.630 12.656 7.923
245 HB2 SER 35 HB3 SER 35 -5.893 11.009 7.521
246 HB3 SER 35 HB2 SER 35 -4.522 9.928 7.730
247 HG SER 35 HG SER 35 -5.393 12.014 9.441
248 H ALA 36 H ALA 36 -4.016 9.934 5.625
249 HA ALA 36 HA ALA 36 -1.445 10.153 4.416
250 HB1 ALA 36 HB1 ALA 36 -0.573 8.065 5.826
251 HB2 ALA 36 HB2 ALA 36 -1.670 8.726 7.038
252 HB3 ALA 36 HB3 ALA 36 -0.347 9.712 6.416
253 H TYR 37 H TYR 37 -2.476 9.365 2.552
254 HA TYR 37 HA TYR 37 -4.197 7.039 2.516
255 HB2 TYR 37 HB3 TYR 37 -2.666 8.625 0.437
256 HB3 TYR 37 HB2 TYR 37 -3.746 7.297 0.010
257 HD1 TYR 37 HD1 TYR 37 -6.150 7.399 1.105
258 HD2 TYR 37 HD2 TYR 37 -3.548 10.781 0.615
259 HE1 TYR 37 HE1 TYR 37 -8.099 8.923 1.281
260 HE2 TYR 37 HE2 TYR 37 -5.496 12.306 0.793
261 HH TYR 37 HH TYR 37 -7.797 12.237 1.795
262 H HIS 38 H HIS 38 -2.618 5.634 3.807
263 HA HIS 38 HA HIS 38 -0.119 4.753 2.743
264 HB2 HIS 38 HB3 HIS 38 -0.545 2.845 4.325
265 HB3 HIS 38 HB2 HIS 38 -0.772 4.425 5.055
266 HD1 HIS 38 HD1 HIS 38 -2.764 1.545 3.603
267 HD2 HIS 38 HD2 HIS 38 -3.369 4.909 5.991
268 HE1 HIS 38 HE1 HIS 38 -5.134 1.383 4.484
269 H TYR 39 H TYR 39 -0.184 2.056 2.582
270 HA TYR 39 HA TYR 39 -2.132 1.363 0.414
271 HB2 TYR 39 HB3 TYR 39 0.860 0.826 0.418
272 HB3 TYR 39 HB2 TYR 39 -0.267 0.435 -0.878
273 HD1 TYR 39 HD2 TYR 39 1.267 3.246 1.015
274 HD2 TYR 39 HD1 TYR 39 -0.921 2.065 -2.486
275 HE1 TYR 39 HE2 TYR 39 1.596 5.504 0.048
276 HE2 TYR 39 HE1 TYR 39 -0.591 4.321 -3.454
277 HH TYR 39 HH TYR 39 1.323 6.238 -3.038
278 H ARG 40 H ARG 40 -2.412 -0.995 0.207
279 HA ARG 40 HA ARG 40 -1.417 -2.539 2.576
280 HB2 ARG 40 HB3 ARG 40 -3.860 -3.652 2.021
281 HB3 ARG 40 HB2 ARG 40 -3.595 -2.408 3.240
282 HG2 ARG 40 HG3 ARG 40 -4.280 -0.669 1.751
283 HG3 ARG 40 HG2 ARG 40 -4.226 -1.748 0.356
284 HD2 ARG 40 HD3 ARG 40 -6.007 -2.588 2.593
285 HD3 ARG 40 HD2 ARG 40 -6.538 -1.194 1.634
286 HE ARG 40 HE ARG 40 -5.573 -3.555 0.129
287 HH11 ARG 40 HH22 ARG 40 -8.341 -2.876 1.848
288 HH12 ARG 40 HH21 ARG 40 -9.424 -2.941 0.498
289 HH21 ARG 40 HH11 ARG 40 -6.893 -3.103 -1.866
290 HH22 ARG 40 HH12 ARG 40 -8.604 -3.071 -1.605
291 H CYS 41 H CYS 41 -0.194 -4.201 1.844
292 HA CYS 41 HA CYS 41 -0.024 -5.030 -0.882
293 HB2 CYS 41 HB3 CYS 41 1.523 -5.300 1.253
294 HB3 CYS 41 HB2 CYS 41 0.679 -6.842 1.407
295 H VAL 42 H VAL 42 -1.837 -5.863 -1.892
296 HA VAL 42 HA VAL 42 -3.454 -7.919 -0.458
297 HB VAL 42 HB VAL 42 -5.101 -7.328 -2.241
298 HG11 VAL 42 HG11 VAL 42 -3.951 -5.345 -0.337
299 HG12 VAL 42 HG12 VAL 42 -5.558 -6.071 -0.364
300 HG13 VAL 42 HG13 VAL 42 -5.160 -4.770 -1.486
301 HG21 VAL 42 HG21 VAL 42 -3.150 -6.588 -3.811
302 HG22 VAL 42 HG22 VAL 42 -3.300 -5.038 -2.981
303 HG23 VAL 42 HG23 VAL 42 -4.672 -5.698 -3.872
304 H CYS 43 H CYS 43 -4.041 -9.865 -1.708
305 HA CYS 43 HA CYS 43 -1.965 -10.578 -3.711
306 HB2 CYS 43 HB3 CYS 43 -2.106 -11.828 -1.545
307 HB3 CYS 43 HB2 CYS 43 -3.726 -12.343 -1.992
308 H HIS 44 H HIS 44 -2.663 -10.754 -5.793
309 HA HIS 44 HA HIS 44 -5.585 -11.179 -6.301
310 HB2 HIS 44 HB3 HIS 44 -3.364 -10.114 -8.078
311 HB3 HIS 44 HB2 HIS 44 -5.080 -10.142 -8.477
312 HD1 HIS 44 HD1 HIS 44 -6.664 -8.625 -6.933
313 HD2 HIS 44 HD2 HIS 44 -2.575 -7.915 -6.546
314 HE1 HIS 44 HE1 HIS 44 -6.432 -6.389 -5.767
315 H ARG 45 H ARG 45 -5.889 -12.414 -8.499
316 HA ARG 45 HA ARG 45 -5.708 -14.498 -9.603
317 HB2 ARG 45 HB3 ARG 45 -3.530 -13.005 -10.059
318 HB3 ARG 45 HB2 ARG 45 -2.749 -14.349 -9.224
319 HG2 ARG 45 HG3 ARG 45 -3.300 -15.878 -10.872
320 HG3 ARG 45 HG2 ARG 45 -4.729 -14.977 -11.378
321 HD2 ARG 45 HD3 ARG 45 -2.227 -13.475 -11.765
322 HD3 ARG 45 HD2 ARG 45 -2.320 -14.962 -12.728
323 HE ARG 45 HE ARG 45 -4.072 -13.972 -13.960
324 HH11 ARG 45 HH11 ARG 45 -3.013 -11.289 -12.940
325 HH12 ARG 45 HH12 ARG 45 -4.469 -10.564 -12.347
326 HH21 ARG 45 HH22 ARG 45 -6.251 -13.539 -12.317
327 HH22 ARG 45 HH21 ARG 45 -6.303 -11.838 -11.995
Start of MODEL 6
1 H1 ILE 1 H1 ILE 1 -0.149 10.938 0.073
2 H2 ILE 1 H2 ILE 1 -1.313 12.146 0.342
3 H3 ILE 1 H3 ILE 1 0.336 12.485 0.572
4 HA ILE 1 HA ILE 1 -0.797 11.711 -2.063
5 HB ILE 1 HB ILE 1 -1.889 13.724 -1.144
6 HG12 ILE 1 HG13 ILE 1 0.142 14.795 -3.078
7 HG13 ILE 1 HG12 ILE 1 -0.945 13.506 -3.600
8 HG21 ILE 1 HG21 ILE 1 -0.526 14.697 0.442
9 HG22 ILE 1 HG22 ILE 1 -0.141 15.732 -0.934
10 HG23 ILE 1 HG23 ILE 1 0.944 14.414 -0.491
11 HD11 ILE 1 HD11 ILE 1 -2.119 15.860 -2.173
12 HD12 ILE 1 HD12 ILE 1 -2.834 14.834 -3.416
13 HD13 ILE 1 HD13 ILE 1 -1.641 16.056 -3.859
14 H GLY 2 H GLY 2 1.738 11.042 -0.514
15 HA2 GLY 2 HA3 GLY 2 3.840 12.626 -1.790
16 HA3 GLY 2 HA2 GLY 2 4.084 11.195 -0.786
17 H SER 3 H SER 3 5.631 11.255 -2.968
18 HA SER 3 HA SER 3 4.268 9.819 -5.185
19 HB2 SER 3 HB3 SER 3 7.125 10.780 -4.826
20 HB3 SER 3 HB2 SER 3 6.398 10.232 -6.334
21 HG SER 3 HG SER 3 4.856 11.966 -6.031
22 H THR 4 H THR 4 4.411 8.351 -2.744
23 HA THR 4 HA THR 4 6.724 6.547 -2.871
24 HB THR 4 HB THR 4 4.240 6.815 -1.213
25 HG1 THR 4 HG1 THR 4 5.827 8.193 -0.619
26 HG21 THR 4 HG21 THR 4 4.623 4.419 -1.397
27 HG22 THR 4 HG22 THR 4 5.145 4.957 0.199
28 HG23 THR 4 HG23 THR 4 6.340 4.639 -1.058
29 H ALA 5 H ALA 5 6.677 5.167 -4.654
30 HA ALA 5 HA ALA 5 4.150 3.597 -5.051
31 HB1 ALA 5 HB1 ALA 5 4.453 3.805 -7.395
32 HB2 ALA 5 HB2 ALA 5 6.132 4.315 -7.213
33 HB3 ALA 5 HB3 ALA 5 4.824 5.409 -6.763
34 HA PRO 6 HA PRO 6 8.102 0.934 -4.732
35 HB2 PRO 6 HB2 PRO 6 8.089 0.232 -2.099
36 HB3 PRO 6 HB3 PRO 6 8.963 1.654 -2.702
37 HG2 PRO 6 HG3 PRO 6 6.354 1.494 -1.294
38 HG3 PRO 6 HG2 PRO 6 7.633 2.710 -1.171
39 HD2 PRO 6 HD3 PRO 6 5.313 3.043 -2.602
40 HD3 PRO 6 HD2 PRO 6 6.829 3.914 -2.921
41 H THR 7 H THR 7 4.843 0.831 -3.502
42 HA THR 7 HA THR 7 3.246 -0.911 -3.448
43 HB THR 7 HB THR 7 4.931 -2.742 -4.982
44 HG1 THR 7 HG1 THR 7 5.483 -1.429 -6.526
45 HG21 THR 7 HG21 THR 7 2.339 -2.592 -4.601
46 HG22 THR 7 HG22 THR 7 2.972 -3.116 -6.161
47 HG23 THR 7 HG23 THR 7 2.414 -1.457 -5.949
48 H CYS 8 H CYS 8 2.872 -2.733 -2.138
49 HA CYS 8 HA CYS 8 4.822 -3.363 -0.149
50 HB2 CYS 8 HB3 CYS 8 2.281 -4.719 -1.093
51 HB3 CYS 8 HB2 CYS 8 3.166 -5.224 0.345
52 H THR 9 H THR 9 6.630 -4.556 -0.474
53 HA THR 9 HA THR 9 7.352 -5.877 -2.839
54 HB THR 9 HB THR 9 9.037 -6.993 -1.316
55 HG1 THR 9 HG1 THR 9 8.866 -6.644 0.842
56 HG21 THR 9 HG21 THR 9 10.172 -4.958 -0.863
57 HG22 THR 9 HG22 THR 9 8.664 -4.080 -0.611
58 HG23 THR 9 HG23 THR 9 9.129 -4.582 -2.235
59 H TYR 10 H TYR 10 6.340 -7.541 -3.770
60 HA TYR 10 HA TYR 10 4.289 -9.123 -3.059
61 HB2 TYR 10 HB3 TYR 10 5.145 -9.411 -5.204
62 HB3 TYR 10 HB2 TYR 10 6.799 -9.606 -4.632
63 HD1 TYR 10 HD2 TYR 10 7.498 -11.768 -3.553
64 HD2 TYR 10 HD1 TYR 10 3.685 -11.292 -5.473
65 HE1 TYR 10 HE2 TYR 10 7.244 -14.232 -3.658
66 HE2 TYR 10 HE1 TYR 10 3.432 -13.756 -5.579
67 HH TYR 10 HH TYR 10 5.137 -15.856 -3.784
68 H ASN 11 H ASN 11 7.563 -9.623 -1.728
69 HA ASN 11 HA ASN 11 7.091 -12.255 -0.666
70 HB2 ASN 11 HB3 ASN 11 9.184 -10.428 -0.887
71 HB3 ASN 11 HB2 ASN 11 8.905 -10.517 0.853
72 HD21 ASN 11 HD22 ASN 11 10.859 -11.768 1.248
73 HD22 ASN 11 HD21 ASN 11 10.996 -13.386 0.754
74 H GLU 12 H GLU 12 6.119 -9.076 0.353
75 HA GLU 12 HA GLU 12 5.771 -9.478 3.122
76 HB2 GLU 12 HB3 GLU 12 4.023 -7.698 2.851
77 HB3 GLU 12 HB2 GLU 12 5.522 -7.318 2.007
78 HG2 GLU 12 HG3 GLU 12 4.085 -6.898 0.274
79 HG3 GLU 12 HG2 GLU 12 4.248 -8.637 0.034
80 H CYS 13 H CYS 13 3.779 -10.463 0.364
81 HA CYS 13 HA CYS 13 1.632 -11.563 2.042
82 HB2 CYS 13 HB3 CYS 13 0.568 -11.841 -0.036
83 HB3 CYS 13 HB2 CYS 13 1.640 -10.483 -0.362
84 H ARG 14 H ARG 14 4.665 -12.598 1.816
85 HA ARG 14 HA ARG 14 4.954 -15.094 0.724
86 HB2 ARG 14 HB3 ARG 14 5.863 -13.693 3.172
87 HB3 ARG 14 HB2 ARG 14 6.123 -15.433 3.151
88 HG2 ARG 14 HG3 ARG 14 6.818 -14.205 0.598
89 HG3 ARG 14 HG2 ARG 14 7.748 -13.525 1.933
90 HD2 ARG 14 HD3 ARG 14 9.093 -15.352 1.693
91 HD3 ARG 14 HD2 ARG 14 7.779 -16.262 2.466
92 HE ARG 14 HE ARG 14 6.888 -16.238 -0.074
93 HH11 ARG 14 HH11 ARG 14 8.475 -18.585 1.064
94 HH12 ARG 14 HH12 ARG 14 9.678 -18.799 -0.164
95 HH21 ARG 14 HH22 ARG 14 9.122 -15.700 -1.620
96 HH22 ARG 14 HH21 ARG 14 10.044 -17.166 -1.684
97 H GLY 15 H GLY 15 3.671 -16.859 0.758
98 HA2 GLY 15 HA3 GLY 15 2.964 -18.599 2.637
99 HA3 GLY 15 HA2 GLY 15 1.826 -17.309 3.036
100 H CYS 16 H CYS 16 1.029 -16.372 0.622
101 HA CYS 16 HA CYS 16 -0.733 -18.468 -0.356
102 HB2 CYS 16 HB3 CYS 16 -1.553 -16.603 -1.755
103 HB3 CYS 16 HB2 CYS 16 -1.347 -16.082 -0.090
104 H ARG 17 H ARG 17 -0.665 -17.570 -3.171
105 HA ARG 17 HA ARG 17 2.006 -18.156 -4.216
106 HB2 ARG 17 HB3 ARG 17 1.353 -20.329 -5.193
107 HB3 ARG 17 HB2 ARG 17 1.206 -20.361 -3.437
108 HG2 ARG 17 HG3 ARG 17 -0.932 -21.021 -3.704
109 HG3 ARG 17 HG2 ARG 17 -1.278 -19.419 -4.354
110 HD2 ARG 17 HD3 ARG 17 -1.825 -20.491 -6.286
111 HD3 ARG 17 HD2 ARG 17 -0.084 -20.761 -6.498
112 HE ARG 17 HE ARG 17 -0.340 -22.954 -5.475
113 HH11 ARG 17 HH22 ARG 17 -2.951 -21.960 -7.205
114 HH12 ARG 17 HH21 ARG 17 -4.122 -22.962 -6.413
115 HH21 ARG 17 HH11 ARG 17 -1.975 -23.912 -3.862
116 HH22 ARG 17 HH12 ARG 17 -3.569 -24.067 -4.520
117 H TYR 18 H TYR 18 0.448 -15.954 -4.753
118 HA TYR 18 HA TYR 18 -0.313 -16.400 -7.610
119 HB2 TYR 18 HB3 TYR 18 -1.905 -15.001 -5.438
120 HB3 TYR 18 HB2 TYR 18 -2.300 -14.908 -7.151
121 HD1 TYR 18 HD1 TYR 18 -2.786 -17.041 -8.423
122 HD2 TYR 18 HD2 TYR 18 -2.540 -16.890 -4.140
123 HE1 TYR 18 HE1 TYR 18 -4.007 -19.192 -8.281
124 HE2 TYR 18 HE2 TYR 18 -3.762 -19.043 -3.994
125 HH TYR 18 HH TYR 18 -5.583 -20.261 -5.997
126 H LYS 19 H LYS 19 -1.226 -13.643 -7.859
127 HA LYS 19 HA LYS 19 1.403 -12.298 -7.990
128 HB2 LYS 19 HB3 LYS 19 -1.348 -11.332 -8.837
129 HB3 LYS 19 HB2 LYS 19 0.208 -10.743 -9.415
130 HG2 LYS 19 HG3 LYS 19 -0.654 -13.623 -9.775
131 HG3 LYS 19 HG2 LYS 19 -1.031 -12.373 -10.959
132 HD2 LYS 19 HD3 LYS 19 1.544 -11.838 -10.778
133 HD3 LYS 19 HD2 LYS 19 1.640 -13.493 -10.178
134 HE2 LYS 19 HE3 LYS 19 1.751 -14.053 -12.396
135 HE3 LYS 19 HE2 LYS 19 -0.002 -13.773 -12.386
136 HZ1 LYS 19 HZ1 LYS 19 2.085 -11.721 -12.906
137 HZ2 LYS 19 HZ2 LYS 19 0.416 -11.428 -12.844
138 HZ3 LYS 19 HZ3 LYS 19 1.059 -12.409 -14.072
139 H CYS 20 H CYS 20 1.936 -10.502 -6.687
140 HA CYS 20 HA CYS 20 -0.121 -9.725 -4.643
141 HB2 CYS 20 HB3 CYS 20 2.892 -9.930 -4.370
142 HB3 CYS 20 HB2 CYS 20 1.760 -9.537 -3.077
143 H ARG 21 H ARG 21 -0.259 -7.552 -4.100
144 HA ARG 21 HA ARG 21 1.611 -5.526 -5.074
145 HB2 ARG 21 HB3 ARG 21 -0.452 -6.502 -6.788
146 HB3 ARG 21 HB2 ARG 21 -0.933 -4.891 -6.259
147 HG2 ARG 21 HG3 ARG 21 1.721 -4.500 -6.797
148 HG3 ARG 21 HG2 ARG 21 1.294 -5.701 -8.015
149 HD2 ARG 21 HD3 ARG 21 -0.272 -3.140 -7.538
150 HD3 ARG 21 HD2 ARG 21 0.933 -3.354 -8.822
151 HE ARG 21 HE ARG 21 -0.803 -5.558 -9.021
152 HH11 ARG 21 HH22 ARG 21 -2.266 -2.770 -8.217
153 HH12 ARG 21 HH21 ARG 21 -3.018 -2.455 -9.746
154 HH21 ARG 21 HH11 ARG 21 -1.207 -4.884 -11.434
155 HH22 ARG 21 HH12 ARG 21 -2.417 -3.652 -11.568
156 H ALA 22 H ALA 22 0.531 -3.292 -4.627
157 HA ALA 22 HA ALA 22 -1.426 -3.524 -2.385
158 HB1 ALA 22 HB1 ALA 22 1.084 -3.439 -1.778
159 HB2 ALA 22 HB2 ALA 22 0.021 -2.294 -0.961
160 HB3 ALA 22 HB3 ALA 22 1.025 -1.760 -2.311
161 H GLU 23 H GLU 23 -2.493 -1.406 -1.939
162 HA GLU 23 HA GLU 23 -2.307 0.532 -4.215
163 HB2 GLU 23 HB3 GLU 23 -4.694 -0.933 -3.075
164 HB3 GLU 23 HB2 GLU 23 -4.875 0.530 -4.043
165 HG2 GLU 23 HG3 GLU 23 -4.666 -0.685 -5.919
166 HG3 GLU 23 HG2 GLU 23 -3.052 -1.183 -5.412
167 H GLN 24 H GLN 24 -2.712 2.688 -3.617
168 HA GLN 24 HA GLN 24 -2.581 3.311 -0.770
169 HB2 GLN 24 HB3 GLN 24 -1.579 4.449 -2.991
170 HB3 GLN 24 HB2 GLN 24 -3.073 5.378 -2.861
171 HG2 GLN 24 HG3 GLN 24 -2.476 5.836 -0.450
172 HG3 GLN 24 HG2 GLN 24 -0.904 5.103 -0.768
173 HE21 GLN 24 HE22 GLN 24 0.406 6.160 -2.580
174 HE22 GLN 24 HE21 GLN 24 0.216 7.825 -2.838
175 H VAL 25 H VAL 25 -4.862 1.987 -0.954
176 HA VAL 25 HA VAL 25 -7.254 3.147 -1.799
177 HB VAL 25 HB VAL 25 -7.212 0.951 -0.878
178 HG11 VAL 25 HG11 VAL 25 -5.798 2.296 1.390
179 HG12 VAL 25 HG12 VAL 25 -5.408 0.792 0.561
180 HG13 VAL 25 HG13 VAL 25 -6.728 0.836 1.728
181 HG21 VAL 25 HG21 VAL 25 -9.081 0.995 0.497
182 HG22 VAL 25 HG22 VAL 25 -9.149 2.614 -0.198
183 HG23 VAL 25 HG23 VAL 25 -8.495 2.378 1.421
184 HA PRO 26 HA PRO 26 -6.993 6.753 0.918
185 HB2 PRO 26 HB2 PRO 26 -8.371 8.441 -0.726
186 HB3 PRO 26 HB3 PRO 26 -6.647 8.085 -0.940
187 HG2 PRO 26 HG3 PRO 26 -8.959 7.173 -2.507
188 HG3 PRO 26 HG2 PRO 26 -7.265 7.336 -2.981
189 HD2 PRO 26 HD3 PRO 26 -8.633 4.954 -2.290
190 HD3 PRO 26 HD2 PRO 26 -6.898 5.145 -2.608
191 H VAL 27 H VAL 27 -8.458 6.925 2.580
192 HA VAL 27 HA VAL 27 -11.237 6.001 2.198
193 HB VAL 27 HB VAL 27 -9.645 6.995 4.586
194 HG11 VAL 27 HG11 VAL 27 -12.400 5.747 4.382
195 HG12 VAL 27 HG12 VAL 27 -11.999 7.340 5.023
196 HG13 VAL 27 HG13 VAL 27 -11.499 5.890 5.893
197 HG21 VAL 27 HG21 VAL 27 -10.545 4.173 3.996
198 HG22 VAL 27 HG22 VAL 27 -9.292 4.713 5.114
199 HG23 VAL 27 HG23 VAL 27 -9.017 4.796 3.374
200 H GLU 28 H GLU 28 -9.926 8.850 3.924
201 HA GLU 28 HA GLU 28 -12.302 10.416 3.621
202 HB2 GLU 28 HB3 GLU 28 -9.449 10.820 4.429
203 HB3 GLU 28 HB2 GLU 28 -10.435 12.253 4.131
204 HG2 GLU 28 HG3 GLU 28 -11.838 11.831 5.914
205 HG3 GLU 28 HG2 GLU 28 -11.610 10.084 5.816
206 H GLY 29 H GLY 29 -13.035 11.073 1.618
207 HA2 GLY 29 HA3 GLY 29 -11.528 11.230 -0.759
208 HA3 GLY 29 HA2 GLY 29 -13.026 12.120 -0.484
209 H ASN 30 H ASN 30 -11.238 13.450 -1.975
210 HA ASN 30 HA ASN 30 -9.343 15.013 -0.444
211 HB2 ASN 30 HB3 ASN 30 -9.141 16.236 -2.596
212 HB3 ASN 30 HB2 ASN 30 -9.085 14.490 -2.834
213 HD21 ASN 30 HD22 ASN 30 -10.772 13.516 -4.067
214 HD22 ASN 30 HD21 ASN 30 -12.045 14.398 -4.761
215 H ASP 31 H ASP 31 -12.739 15.242 -1.012
216 HA ASP 31 HA ASP 31 -13.159 18.047 -0.911
217 HB2 ASP 31 HB3 ASP 31 -14.658 15.548 -0.510
218 HB3 ASP 31 HB2 ASP 31 -15.317 16.915 0.389
219 HA PRO 32 HA PRO 32 -13.460 17.744 3.835
220 HB2 PRO 32 HB2 PRO 32 -12.881 15.368 5.057
221 HB3 PRO 32 HB3 PRO 32 -14.511 15.784 4.489
222 HG2 PRO 32 HG3 PRO 32 -12.461 14.029 3.241
223 HG3 PRO 32 HG2 PRO 32 -14.221 13.846 3.302
224 HD2 PRO 32 HD3 PRO 32 -12.852 14.753 1.110
225 HD3 PRO 32 HD2 PRO 32 -14.547 15.150 1.459
226 H ILE 33 H ILE 33 -11.685 16.771 5.737
227 HA ILE 33 HA ILE 33 -9.209 18.012 5.080
228 HB ILE 33 HB ILE 33 -10.107 17.630 7.354
229 HG12 ILE 33 HG13 ILE 33 -7.497 16.125 7.026
230 HG13 ILE 33 HG12 ILE 33 -7.614 17.881 6.902
231 HG21 ILE 33 HG21 ILE 33 -9.256 14.752 7.162
232 HG22 ILE 33 HG22 ILE 33 -10.868 15.224 6.625
233 HG23 ILE 33 HG23 ILE 33 -10.378 15.507 8.294
234 HD11 ILE 33 HD11 ILE 33 -8.016 16.122 9.299
235 HD12 ILE 33 HD12 ILE 33 -8.873 17.661 9.208
236 HD13 ILE 33 HD13 ILE 33 -7.110 17.630 9.161
237 H ASN 34 H ASN 34 -7.269 17.174 4.277
238 HA ASN 34 HA ASN 34 -7.406 14.511 2.983
239 HB2 ASN 34 HB3 ASN 34 -5.384 16.780 2.929
240 HB3 ASN 34 HB2 ASN 34 -5.322 15.353 1.895
241 HD21 ASN 34 HD22 ASN 34 -6.171 18.502 1.705
242 HD22 ASN 34 HD21 ASN 34 -7.461 18.410 0.606
243 H SER 35 H SER 35 -4.494 14.134 3.071
244 HA SER 35 HA SER 35 -2.898 13.022 4.406
245 HB2 SER 35 HB3 SER 35 -3.851 15.348 5.751
246 HB3 SER 35 HB2 SER 35 -3.605 14.093 6.957
247 HG SER 35 HG SER 35 -1.779 15.277 5.181
248 H ALA 36 H ALA 36 -4.425 11.099 3.981
249 HA ALA 36 HA ALA 36 -4.830 9.620 6.413
250 HB1 ALA 36 HB1 ALA 36 -7.411 9.544 6.007
251 HB2 ALA 36 HB2 ALA 36 -7.146 11.036 5.104
252 HB3 ALA 36 HB3 ALA 36 -6.732 10.955 6.818
253 H TYR 37 H TYR 37 -3.523 9.053 4.001
254 HA TYR 37 HA TYR 37 -5.308 7.003 2.725
255 HB2 TYR 37 HB3 TYR 37 -2.851 8.362 1.572
256 HB3 TYR 37 HB2 TYR 37 -4.048 7.405 0.699
257 HD1 TYR 37 HD1 TYR 37 -6.587 8.422 1.841
258 HD2 TYR 37 HD2 TYR 37 -3.034 10.533 0.666
259 HE1 TYR 37 HE1 TYR 37 -7.930 10.467 1.454
260 HE2 TYR 37 HE2 TYR 37 -4.380 12.579 0.279
261 HH TYR 37 HH TYR 37 -7.465 12.686 -0.201
262 H HIS 38 H HIS 38 -4.570 4.880 2.785
263 HA HIS 38 HA HIS 38 -1.820 4.425 3.886
264 HB2 HIS 38 HB3 HIS 38 -3.145 2.200 4.584
265 HB3 HIS 38 HB2 HIS 38 -3.159 3.638 5.593
266 HD1 HIS 38 HD1 HIS 38 -5.289 1.610 3.266
267 HD2 HIS 38 HD2 HIS 38 -5.649 5.049 5.594
268 HE1 HIS 38 HE1 HIS 38 -7.755 2.182 3.322
269 H TYR 39 H TYR 39 -1.036 2.155 3.339
270 HA TYR 39 HA TYR 39 -1.807 1.437 0.525
271 HB2 TYR 39 HB3 TYR 39 0.705 2.131 1.842
272 HB3 TYR 39 HB2 TYR 39 0.809 0.557 1.056
273 HD1 TYR 39 HD2 TYR 39 -0.679 0.644 -1.321
274 HD2 TYR 39 HD1 TYR 39 1.516 3.851 0.509
275 HE1 TYR 39 HE2 TYR 39 -0.467 1.757 -3.525
276 HE2 TYR 39 HE1 TYR 39 1.729 4.964 -1.695
277 HH TYR 39 HH TYR 39 1.469 3.615 -4.466
278 H ARG 40 H ARG 40 -2.941 -0.480 0.672
279 HA ARG 40 HA ARG 40 -2.185 -2.447 2.783
280 HB2 ARG 40 HB3 ARG 40 -4.372 -3.475 2.118
281 HB3 ARG 40 HB2 ARG 40 -4.532 -1.793 2.618
282 HG2 ARG 40 HG3 ARG 40 -4.734 -1.037 0.367
283 HG3 ARG 40 HG2 ARG 40 -4.194 -2.586 -0.279
284 HD2 ARG 40 HD3 ARG 40 -6.310 -3.492 1.074
285 HD3 ARG 40 HD2 ARG 40 -6.871 -1.826 0.827
286 HE ARG 40 HE ARG 40 -5.738 -2.959 -1.598
287 HH11 ARG 40 HH22 ARG 40 -8.410 -1.448 -0.425
288 HH12 ARG 40 HH21 ARG 40 -9.580 -2.362 -1.317
289 HH21 ARG 40 HH11 ARG 40 -7.292 -4.736 -2.395
290 HH22 ARG 40 HH12 ARG 40 -8.946 -4.225 -2.432
291 H CYS 41 H CYS 41 -1.386 -4.488 2.248
292 HA CYS 41 HA CYS 41 -0.507 -4.870 -0.563
293 HB2 CYS 41 HB3 CYS 41 0.242 -6.789 1.583
294 HB3 CYS 41 HB2 CYS 41 1.243 -6.019 0.369
295 H VAL 42 H VAL 42 -1.613 -6.334 -1.862
296 HA VAL 42 HA VAL 42 -3.265 -8.409 -0.475
297 HB VAL 42 HB VAL 42 -4.761 -8.014 -2.536
298 HG11 VAL 42 HG11 VAL 42 -5.559 -7.366 -0.384
299 HG12 VAL 42 HG12 VAL 42 -5.767 -5.948 -1.411
300 HG13 VAL 42 HG13 VAL 42 -4.410 -6.031 -0.288
301 HG21 VAL 42 HG21 VAL 42 -4.597 -5.868 -3.620
302 HG22 VAL 42 HG22 VAL 42 -3.006 -6.624 -3.712
303 HG23 VAL 42 HG23 VAL 42 -3.313 -5.360 -2.522
304 H CYS 43 H CYS 43 -3.458 -10.401 -1.591
305 HA CYS 43 HA CYS 43 -1.498 -10.849 -3.777
306 HB2 CYS 43 HB3 CYS 43 -0.932 -11.877 -1.616
307 HB3 CYS 43 HB2 CYS 43 -2.506 -12.662 -1.566
308 H HIS 44 H HIS 44 -2.959 -10.647 -5.547
309 HA HIS 44 HA HIS 44 -5.224 -12.617 -5.562
310 HB2 HIS 44 HB3 HIS 44 -6.114 -10.854 -7.312
311 HB3 HIS 44 HB2 HIS 44 -6.292 -10.547 -5.591
312 HD1 HIS 44 HD1 HIS 44 -3.452 -9.973 -8.091
313 HD2 HIS 44 HD2 HIS 44 -5.529 -7.948 -5.097
314 HE1 HIS 44 HE1 HIS 44 -2.415 -7.668 -7.934
315 H ARG 45 H ARG 45 -5.871 -13.075 -7.946
316 HA ARG 45 HA ARG 45 -3.421 -13.887 -9.377
317 HB2 ARG 45 HB3 ARG 45 -5.439 -15.365 -8.739
318 HB3 ARG 45 HB2 ARG 45 -6.285 -14.549 -10.055
319 HG2 ARG 45 HG3 ARG 45 -4.091 -15.179 -11.409
320 HG3 ARG 45 HG2 ARG 45 -3.963 -16.434 -10.177
321 HD2 ARG 45 HD3 ARG 45 -6.597 -16.676 -10.812
322 HD3 ARG 45 HD2 ARG 45 -5.937 -16.155 -12.375
323 HE ARG 45 HE ARG 45 -4.110 -18.038 -11.570
324 HH11 ARG 45 HH22 ARG 45 -6.770 -18.886 -10.072
325 HH12 ARG 45 HH21 ARG 45 -7.270 -20.174 -11.116
326 HH21 ARG 45 HH11 ARG 45 -5.084 -19.316 -13.665
327 HH22 ARG 45 HH12 ARG 45 -6.315 -20.419 -13.148
Start of MODEL 7
1 H1 ILE 1 H1 ILE 1 -1.168 7.511 -9.545
2 H2 ILE 1 H2 ILE 1 -1.204 7.786 -7.869
3 H3 ILE 1 H3 ILE 1 0.140 7.024 -8.581
4 HA ILE 1 HA ILE 1 0.814 9.016 -9.674
5 HB ILE 1 HB ILE 1 -1.517 9.589 -10.290
6 HG12 ILE 1 HG13 ILE 1 -0.497 11.970 -8.772
7 HG13 ILE 1 HG12 ILE 1 0.483 11.302 -10.076
8 HG21 ILE 1 HG21 ILE 1 -1.699 10.400 -7.373
9 HG22 ILE 1 HG22 ILE 1 -2.633 9.138 -8.180
10 HG23 ILE 1 HG23 ILE 1 -2.893 10.833 -8.598
11 HD11 ILE 1 HD11 ILE 1 -1.096 11.808 -11.709
12 HD12 ILE 1 HD12 ILE 1 -1.313 13.163 -10.600
13 HD13 ILE 1 HD13 ILE 1 -2.434 11.802 -10.560
14 H GLY 2 H GLY 2 0.853 7.745 -6.886
15 HA2 GLY 2 HA3 GLY 2 1.267 10.146 -5.190
16 HA3 GLY 2 HA2 GLY 2 1.223 8.478 -4.614
17 H SER 3 H SER 3 3.307 10.529 -4.160
18 HA SER 3 HA SER 3 5.629 10.008 -5.774
19 HB2 SER 3 HB3 SER 3 6.740 11.275 -4.074
20 HB3 SER 3 HB2 SER 3 5.102 11.920 -4.144
21 HG SER 3 HG SER 3 5.042 11.433 -2.104
22 H THR 4 H THR 4 4.232 8.393 -2.967
23 HA THR 4 HA THR 4 6.582 6.715 -2.482
24 HB THR 4 HB THR 4 3.779 6.932 -1.448
25 HG1 THR 4 HG1 THR 4 5.481 8.362 -0.772
26 HG21 THR 4 HG21 THR 4 4.360 5.161 0.210
27 HG22 THR 4 HG22 THR 4 5.838 4.845 -0.697
28 HG23 THR 4 HG23 THR 4 4.267 4.541 -1.438
29 H ALA 5 H ALA 5 7.012 5.270 -4.166
30 HA ALA 5 HA ALA 5 4.734 3.505 -4.997
31 HB1 ALA 5 HB1 ALA 5 6.874 4.938 -6.540
32 HB2 ALA 5 HB2 ALA 5 5.145 4.830 -6.874
33 HB3 ALA 5 HB3 ALA 5 6.191 3.444 -7.185
34 HA PRO 6 HA PRO 6 8.715 1.170 -3.720
35 HB2 PRO 6 HB2 PRO 6 8.185 0.579 -1.112
36 HB3 PRO 6 HB3 PRO 6 9.084 2.030 -1.597
37 HG2 PRO 6 HG3 PRO 6 6.239 1.752 -0.780
38 HG3 PRO 6 HG2 PRO 6 7.395 3.045 -0.427
39 HD2 PRO 6 HD3 PRO 6 5.448 3.227 -2.335
40 HD3 PRO 6 HD2 PRO 6 6.977 4.129 -2.386
41 H THR 7 H THR 7 5.287 0.902 -3.353
42 HA THR 7 HA THR 7 3.822 -0.942 -3.540
43 HB THR 7 HB THR 7 5.943 -2.756 -4.424
44 HG1 THR 7 HG1 THR 7 6.975 -1.258 -5.475
45 HG21 THR 7 HG21 THR 7 3.893 -3.487 -5.127
46 HG22 THR 7 HG22 THR 7 4.294 -2.481 -6.519
47 HG23 THR 7 HG23 THR 7 3.242 -1.853 -5.251
48 H CYS 8 H CYS 8 3.231 -2.714 -2.230
49 HA CYS 8 HA CYS 8 4.616 -3.025 0.250
50 HB2 CYS 8 HB3 CYS 8 3.013 -4.917 0.547
51 HB3 CYS 8 HB2 CYS 8 2.221 -3.448 -0.010
52 H THR 9 H THR 9 6.555 -4.077 0.487
53 HA THR 9 HA THR 9 7.858 -5.596 -1.484
54 HB THR 9 HB THR 9 9.172 -6.454 0.490
55 HG1 THR 9 HG1 THR 9 7.379 -4.911 2.035
56 HG21 THR 9 HG21 THR 9 9.914 -4.371 -0.316
57 HG22 THR 9 HG22 THR 9 9.621 -4.044 1.392
58 HG23 THR 9 HG23 THR 9 8.438 -3.547 0.182
59 H TYR 10 H TYR 10 7.034 -7.341 -2.457
60 HA TYR 10 HA TYR 10 4.884 -8.882 -2.091
61 HB2 TYR 10 HB3 TYR 10 6.688 -9.082 -3.823
62 HB3 TYR 10 HB2 TYR 10 7.641 -10.018 -2.674
63 HD1 TYR 10 HD2 TYR 10 6.434 -12.108 -1.612
64 HD2 TYR 10 HD1 TYR 10 5.208 -10.183 -5.251
65 HE1 TYR 10 HE2 TYR 10 5.224 -14.162 -2.291
66 HE2 TYR 10 HE1 TYR 10 4.002 -12.239 -5.932
67 HH TYR 10 HH TYR 10 4.384 -14.916 -5.211
68 H ASN 11 H ASN 11 7.738 -9.208 0.015
69 HA ASN 11 HA ASN 11 7.186 -11.710 1.202
70 HB2 ASN 11 HB3 ASN 11 9.007 -9.654 1.484
71 HB3 ASN 11 HB2 ASN 11 8.120 -9.571 3.007
72 HD21 ASN 11 HD22 ASN 11 9.838 -11.927 0.896
73 HD22 ASN 11 HD21 ASN 11 10.318 -12.944 2.169
74 H GLU 12 H GLU 12 5.569 -8.644 1.475
75 HA GLU 12 HA GLU 12 4.274 -9.030 3.980
76 HB2 GLU 12 HB3 GLU 12 3.480 -7.540 1.457
77 HB3 GLU 12 HB2 GLU 12 2.675 -7.337 3.012
78 HG2 GLU 12 HG3 GLU 12 5.600 -6.767 2.426
79 HG3 GLU 12 HG2 GLU 12 4.340 -5.568 2.705
80 H CYS 13 H CYS 13 3.190 -9.655 0.642
81 HA CYS 13 HA CYS 13 0.765 -11.060 1.420
82 HB2 CYS 13 HB3 CYS 13 1.020 -9.774 -0.649
83 HB3 CYS 13 HB2 CYS 13 2.361 -10.798 -1.149
84 H ARG 14 H ARG 14 4.016 -11.970 1.534
85 HA ARG 14 HA ARG 14 4.310 -14.498 0.440
86 HB2 ARG 14 HB3 ARG 14 5.918 -13.127 1.828
87 HB3 ARG 14 HB2 ARG 14 5.085 -13.713 3.265
88 HG2 ARG 14 HG3 ARG 14 6.329 -15.580 3.205
89 HG3 ARG 14 HG2 ARG 14 5.652 -15.968 1.625
90 HD2 ARG 14 HD3 ARG 14 7.417 -14.217 0.745
91 HD3 ARG 14 HD2 ARG 14 8.235 -14.575 2.279
92 HE ARG 14 HE ARG 14 7.397 -16.759 0.407
93 HH11 ARG 14 HH11 ARG 14 10.156 -15.501 0.103
94 HH12 ARG 14 HH12 ARG 14 11.128 -16.599 1.026
95 HH21 ARG 14 HH22 ARG 14 8.424 -18.053 2.637
96 HH22 ARG 14 HH21 ARG 14 10.146 -18.043 2.462
97 H GLY 15 H GLY 15 2.925 -16.216 0.510
98 HA2 GLY 15 HA3 GLY 15 2.286 -17.815 2.620
99 HA3 GLY 15 HA2 GLY 15 1.056 -16.557 2.751
100 H CYS 16 H CYS 16 0.284 -16.029 0.240
101 HA CYS 16 HA CYS 16 -1.079 -18.501 -0.571
102 HB2 CYS 16 HB3 CYS 16 -2.315 -16.911 -1.993
103 HB3 CYS 16 HB2 CYS 16 -2.208 -16.311 -0.345
104 H ARG 17 H ARG 17 -1.315 -18.509 -3.212
105 HA ARG 17 HA ARG 17 1.474 -18.451 -4.312
106 HB2 ARG 17 HB3 ARG 17 0.401 -20.695 -3.701
107 HB3 ARG 17 HB2 ARG 17 -0.729 -20.398 -5.025
108 HG2 ARG 17 HG3 ARG 17 1.217 -20.120 -6.562
109 HG3 ARG 17 HG2 ARG 17 2.287 -20.564 -5.233
110 HD2 ARG 17 HD3 ARG 17 1.922 -22.759 -5.653
111 HD3 ARG 17 HD2 ARG 17 0.176 -22.525 -5.437
112 HE ARG 17 HE ARG 17 -0.035 -22.383 -7.789
113 HH11 ARG 17 HH11 ARG 17 2.925 -23.606 -7.373
114 HH12 ARG 17 HH12 ARG 17 3.700 -22.814 -8.705
115 HH21 ARG 17 HH22 ARG 17 1.083 -20.607 -9.258
116 HH22 ARG 17 HH21 ARG 17 2.657 -21.115 -9.772
117 H TYR 18 H TYR 18 0.455 -16.179 -4.911
118 HA TYR 18 HA TYR 18 -0.478 -16.373 -7.721
119 HB2 TYR 18 HB3 TYR 18 -2.001 -15.070 -5.443
120 HB3 TYR 18 HB2 TYR 18 -2.364 -14.784 -7.142
121 HD1 TYR 18 HD2 TYR 18 -2.746 -16.876 -8.634
122 HD2 TYR 18 HD1 TYR 18 -2.981 -16.904 -4.347
123 HE1 TYR 18 HE2 TYR 18 -4.089 -18.956 -8.725
124 HE2 TYR 18 HE1 TYR 18 -4.325 -18.986 -4.435
125 HH TYR 18 HH TYR 18 -4.601 -20.927 -6.098
126 H LYS 19 H LYS 19 -1.214 -13.513 -7.693
127 HA LYS 19 HA LYS 19 1.527 -12.381 -7.723
128 HB2 LYS 19 HB3 LYS 19 -1.177 -11.340 -8.640
129 HB3 LYS 19 HB2 LYS 19 0.376 -10.573 -8.978
130 HG2 LYS 19 HG3 LYS 19 0.252 -13.437 -9.688
131 HG3 LYS 19 HG2 LYS 19 -0.829 -12.406 -10.624
132 HD2 LYS 19 HD3 LYS 19 1.041 -10.940 -11.225
133 HD3 LYS 19 HD2 LYS 19 2.137 -11.906 -10.235
134 HE2 LYS 19 HE3 LYS 19 1.028 -13.844 -11.829
135 HE3 LYS 19 HE2 LYS 19 1.080 -12.458 -12.938
136 HZ1 LYS 19 HZ1 LYS 19 3.383 -12.075 -12.281
137 HZ2 LYS 19 HZ2 LYS 19 3.197 -13.627 -12.942
138 HZ3 LYS 19 HZ3 LYS 19 3.334 -13.431 -11.260
139 H CYS 20 H CYS 20 1.965 -10.327 -6.618
140 HA CYS 20 HA CYS 20 0.028 -9.674 -4.428
141 HB2 CYS 20 HB3 CYS 20 3.038 -9.982 -4.215
142 HB3 CYS 20 HB2 CYS 20 1.947 -9.573 -2.892
143 H ARG 21 H ARG 21 -0.187 -7.513 -4.010
144 HA ARG 21 HA ARG 21 1.779 -5.493 -4.798
145 HB2 ARG 21 HB3 ARG 21 0.341 -6.388 -6.855
146 HB3 ARG 21 HB2 ARG 21 -0.852 -5.288 -6.174
147 HG2 ARG 21 HG3 ARG 21 0.194 -3.615 -7.253
148 HG3 ARG 21 HG2 ARG 21 1.530 -3.829 -6.121
149 HD2 ARG 21 HD3 ARG 21 2.719 -4.207 -8.061
150 HD3 ARG 21 HD2 ARG 21 2.056 -5.845 -7.887
151 HE ARG 21 HE ARG 21 0.835 -3.707 -9.589
152 HH11 ARG 21 HH22 ARG 21 2.290 -6.501 -10.178
153 HH12 ARG 21 HH21 ARG 21 0.924 -7.373 -10.791
154 HH21 ARG 21 HH11 ARG 21 -1.392 -5.032 -9.704
155 HH22 ARG 21 HH12 ARG 21 -1.160 -6.542 -10.522
156 H ALA 22 H ALA 22 1.038 -3.346 -4.091
157 HA ALA 22 HA ALA 22 -1.233 -3.532 -2.149
158 HB1 ALA 22 HB1 ALA 22 0.500 -3.179 -0.714
159 HB2 ALA 22 HB2 ALA 22 0.389 -1.505 -1.257
160 HB3 ALA 22 HB3 ALA 22 1.556 -2.596 -1.997
161 H GLU 23 H GLU 23 -2.680 -1.794 -2.115
162 HA GLU 23 HA GLU 23 -2.267 0.292 -4.240
163 HB2 GLU 23 HB3 GLU 23 -4.818 0.151 -4.412
164 HB3 GLU 23 HB2 GLU 23 -3.933 -1.258 -4.993
165 HG2 GLU 23 HG3 GLU 23 -4.682 -2.594 -3.300
166 HG3 GLU 23 HG2 GLU 23 -4.644 -1.288 -2.116
167 H GLN 24 H GLN 24 -3.717 2.247 -3.802
168 HA GLN 24 HA GLN 24 -3.227 3.206 -1.103
169 HB2 GLN 24 HB3 GLN 24 -3.023 4.503 -3.254
170 HB3 GLN 24 HB2 GLN 24 -4.780 4.443 -3.393
171 HG2 GLN 24 HG3 GLN 24 -5.062 5.693 -1.356
172 HG3 GLN 24 HG2 GLN 24 -3.344 5.569 -0.977
173 HE21 GLN 24 HE22 GLN 24 -3.194 7.962 -0.983
174 HE22 GLN 24 HE21 GLN 24 -3.175 8.814 -2.452
175 H VAL 25 H VAL 25 -4.616 2.773 0.557
176 HA VAL 25 HA VAL 25 -7.513 2.353 -0.083
177 HB VAL 25 HB VAL 25 -6.312 0.435 0.880
178 HG11 VAL 25 HG11 VAL 25 -4.625 0.811 2.319
179 HG12 VAL 25 HG12 VAL 25 -5.808 1.298 3.533
180 HG13 VAL 25 HG13 VAL 25 -5.087 2.507 2.470
181 HG21 VAL 25 HG21 VAL 25 -7.862 -0.069 2.591
182 HG22 VAL 25 HG22 VAL 25 -8.707 1.117 1.598
183 HG23 VAL 25 HG23 VAL 25 -7.961 1.611 3.116
184 HA PRO 26 HA PRO 26 -7.197 6.331 2.252
185 HB2 PRO 26 HB2 PRO 26 -9.062 7.662 0.752
186 HB3 PRO 26 HB3 PRO 26 -7.343 7.592 0.320
187 HG2 PRO 26 HG3 PRO 26 -9.630 6.027 -0.760
188 HG3 PRO 26 HG2 PRO 26 -8.224 6.696 -1.601
189 HD2 PRO 26 HD3 PRO 26 -8.458 4.066 -0.914
190 HD3 PRO 26 HD2 PRO 26 -6.899 4.903 -1.086
191 H VAL 27 H VAL 27 -8.221 5.260 4.033
192 HA VAL 27 HA VAL 27 -10.975 4.425 4.060
193 HB VAL 27 HB VAL 27 -9.011 5.243 6.229
194 HG11 VAL 27 HG11 VAL 27 -11.753 3.993 6.336
195 HG12 VAL 27 HG12 VAL 27 -11.113 5.330 7.294
196 HG13 VAL 27 HG13 VAL 27 -10.564 3.682 7.603
197 HG21 VAL 27 HG21 VAL 27 -8.194 3.360 4.964
198 HG22 VAL 27 HG22 VAL 27 -9.781 2.591 4.980
199 HG23 VAL 27 HG23 VAL 27 -8.850 2.725 6.473
200 H GLU 28 H GLU 28 -9.630 7.095 6.018
201 HA GLU 28 HA GLU 28 -12.137 8.453 6.276
202 HB2 GLU 28 HB3 GLU 28 -9.732 8.514 7.502
203 HB3 GLU 28 HB2 GLU 28 -9.567 9.942 6.481
204 HG2 GLU 28 HG3 GLU 28 -10.525 10.661 8.576
205 HG3 GLU 28 HG2 GLU 28 -11.803 10.723 7.361
206 H GLY 29 H GLY 29 -13.136 9.829 4.846
207 HA2 GLY 29 HA3 GLY 29 -12.125 10.277 2.215
208 HA3 GLY 29 HA2 GLY 29 -13.492 11.130 2.930
209 H ASN 30 H ASN 30 -13.199 13.277 3.292
210 HA ASN 30 HA ASN 30 -10.863 14.698 2.597
211 HB2 ASN 30 HB3 ASN 30 -11.981 16.554 3.837
212 HB3 ASN 30 HB2 ASN 30 -13.102 15.677 2.795
213 HD21 ASN 30 HD22 ASN 30 -12.617 16.757 5.997
214 HD22 ASN 30 HD21 ASN 30 -13.808 15.811 6.749
215 H ASP 31 H ASP 31 -11.904 13.444 5.720
216 HA ASP 31 HA ASP 31 -10.804 13.313 7.804
217 HB2 ASP 31 HB3 ASP 31 -8.855 12.047 7.549
218 HB3 ASP 31 HB2 ASP 31 -9.612 11.847 5.975
219 HA PRO 32 HA PRO 32 -8.725 17.011 8.933
220 HB2 PRO 32 HB2 PRO 32 -6.557 16.315 10.444
221 HB3 PRO 32 HB3 PRO 32 -8.229 16.141 11.010
222 HG2 PRO 32 HG3 PRO 32 -6.350 14.085 10.008
223 HG3 PRO 32 HG2 PRO 32 -7.618 13.959 11.233
224 HD2 PRO 32 HD3 PRO 32 -7.817 13.053 8.629
225 HD3 PRO 32 HD2 PRO 32 -9.192 13.382 9.703
226 H ILE 33 H ILE 33 -7.517 18.440 7.793
227 HA ILE 33 HA ILE 33 -6.061 19.182 6.087
228 HB ILE 33 HB ILE 33 -4.959 19.293 8.359
229 HG12 ILE 33 HG13 ILE 33 -3.026 18.839 6.074
230 HG13 ILE 33 HG12 ILE 33 -4.024 20.284 6.233
231 HG21 ILE 33 HG21 ILE 33 -3.684 16.739 7.348
232 HG22 ILE 33 HG22 ILE 33 -4.588 16.968 8.843
233 HG23 ILE 33 HG23 ILE 33 -3.003 17.711 8.649
234 HD11 ILE 33 HD11 ILE 33 -1.757 20.624 7.188
235 HD12 ILE 33 HD12 ILE 33 -2.049 19.296 8.312
236 HD13 ILE 33 HD13 ILE 33 -3.015 20.769 8.417
237 H ASN 34 H ASN 34 -7.164 16.600 5.409
238 HA ASN 34 HA ASN 34 -6.769 14.759 3.970
239 HB2 ASN 34 HB3 ASN 34 -5.099 17.079 3.034
240 HB3 ASN 34 HB2 ASN 34 -5.069 15.557 2.141
241 HD21 ASN 34 HD22 ASN 34 -6.447 15.809 0.371
242 HD22 ASN 34 HD21 ASN 34 -8.005 16.479 0.443
243 H SER 35 H SER 35 -5.613 13.861 6.113
244 HA SER 35 HA SER 35 -2.949 12.864 5.241
245 HB2 SER 35 HB3 SER 35 -3.490 14.809 7.280
246 HB3 SER 35 HB2 SER 35 -2.832 13.360 8.030
247 HG SER 35 HG SER 35 -1.274 14.955 7.213
248 H ALA 36 H ALA 36 -4.379 10.920 4.894
249 HA ALA 36 HA ALA 36 -4.279 9.135 7.172
250 HB1 ALA 36 HB1 ALA 36 -7.067 9.289 6.341
251 HB2 ALA 36 HB2 ALA 36 -6.491 10.837 6.962
252 HB3 ALA 36 HB3 ALA 36 -6.384 9.389 7.964
253 H TYR 37 H TYR 37 -3.218 8.950 4.586
254 HA TYR 37 HA TYR 37 -4.925 6.825 3.322
255 HB2 TYR 37 HB3 TYR 37 -2.848 8.556 1.955
256 HB3 TYR 37 HB2 TYR 37 -4.125 7.604 1.201
257 HD1 TYR 37 HD2 TYR 37 -6.587 8.211 2.228
258 HD2 TYR 37 HD1 TYR 37 -3.202 10.850 2.036
259 HE1 TYR 37 HE2 TYR 37 -8.104 10.169 2.350
260 HE2 TYR 37 HE1 TYR 37 -4.719 12.806 2.160
261 HH TYR 37 HH TYR 37 -7.724 12.847 1.456
262 H HIS 38 H HIS 38 -3.957 4.815 3.262
263 HA HIS 38 HA HIS 38 -0.982 4.678 3.566
264 HB2 HIS 38 HB3 HIS 38 -1.874 2.430 4.804
265 HB3 HIS 38 HB2 HIS 38 -1.563 3.936 5.657
266 HD1 HIS 38 HD1 HIS 38 -4.244 1.581 4.738
267 HD2 HIS 38 HD2 HIS 38 -4.012 5.512 6.107
268 HE1 HIS 38 HE1 HIS 38 -6.564 2.195 5.549
269 H TYR 39 H TYR 39 -0.176 2.431 2.930
270 HA TYR 39 HA TYR 39 -1.645 1.492 0.492
271 HB2 TYR 39 HB3 TYR 39 1.169 1.960 1.285
272 HB3 TYR 39 HB2 TYR 39 0.906 0.471 0.377
273 HD1 TYR 39 HD2 TYR 39 -0.255 0.575 -1.866
274 HD2 TYR 39 HD1 TYR 39 1.053 4.095 0.222
275 HE1 TYR 39 HE2 TYR 39 -0.424 1.885 -3.963
276 HE2 TYR 39 HE1 TYR 39 0.885 5.403 -1.875
277 HH TYR 39 HH TYR 39 -0.777 4.767 -4.308
278 H ARG 40 H ARG 40 -2.289 -0.670 0.427
279 HA ARG 40 HA ARG 40 -1.410 -2.428 2.699
280 HB2 ARG 40 HB3 ARG 40 -3.787 -3.375 2.436
281 HB3 ARG 40 HB2 ARG 40 -3.663 -1.755 3.120
282 HG2 ARG 40 HG3 ARG 40 -4.276 -0.730 1.047
283 HG3 ARG 40 HG2 ARG 40 -4.082 -2.246 0.164
284 HD2 ARG 40 HD3 ARG 40 -6.098 -1.957 2.407
285 HD3 ARG 40 HD2 ARG 40 -6.501 -1.593 0.718
286 HE ARG 40 HE ARG 40 -5.219 -4.083 0.651
287 HH11 ARG 40 HH22 ARG 40 -8.279 -2.834 0.682
288 HH12 ARG 40 HH21 ARG 40 -9.058 -4.226 1.356
289 HH21 ARG 40 HH11 ARG 40 -6.089 -5.826 2.164
290 HH22 ARG 40 HH12 ARG 40 -7.818 -5.919 2.198
291 H CYS 41 H CYS 41 -0.573 -4.371 2.062
292 HA CYS 41 HA CYS 41 -0.294 -5.016 -0.768
293 HB2 CYS 41 HB3 CYS 41 1.339 -5.407 1.179
294 HB3 CYS 41 HB2 CYS 41 0.309 -6.762 1.634
295 H VAL 42 H VAL 42 -1.674 -6.284 -1.958
296 HA VAL 42 HA VAL 42 -3.624 -8.017 -0.496
297 HB VAL 42 HB VAL 42 -5.036 -7.471 -2.571
298 HG11 VAL 42 HG11 VAL 42 -5.606 -6.506 -0.443
299 HG12 VAL 42 HG12 VAL 42 -5.655 -5.205 -1.633
300 HG13 VAL 42 HG13 VAL 42 -4.271 -5.359 -0.551
301 HG21 VAL 42 HG21 VAL 42 -4.463 -5.553 -3.872
302 HG22 VAL 42 HG22 VAL 42 -3.007 -6.546 -3.816
303 HG23 VAL 42 HG23 VAL 42 -3.146 -5.126 -2.780
304 H CYS 43 H CYS 43 -4.196 -10.002 -1.639
305 HA CYS 43 HA CYS 43 -2.068 -10.928 -3.486
306 HB2 CYS 43 HB3 CYS 43 -2.331 -12.136 -1.380
307 HB3 CYS 43 HB2 CYS 43 -4.045 -12.370 -1.700
308 H HIS 44 H HIS 44 -2.659 -10.951 -5.612
309 HA HIS 44 HA HIS 44 -5.469 -11.748 -6.300
310 HB2 HIS 44 HB3 HIS 44 -3.735 -9.634 -7.622
311 HB3 HIS 44 HB2 HIS 44 -5.379 -10.057 -8.089
312 HD1 HIS 44 HD1 HIS 44 -6.915 -10.106 -5.552
313 HD2 HIS 44 HD2 HIS 44 -3.939 -7.263 -6.219
314 HE1 HIS 44 HE1 HIS 44 -7.412 -8.170 -3.997
315 H ARG 45 H ARG 45 -5.483 -12.406 -8.749
316 HA ARG 45 HA ARG 45 -3.317 -14.344 -9.146
317 HB2 ARG 45 HB3 ARG 45 -5.811 -13.724 -10.752
318 HB3 ARG 45 HB2 ARG 45 -4.798 -15.156 -10.933
319 HG2 ARG 45 HG3 ARG 45 -5.426 -16.010 -8.817
320 HG3 ARG 45 HG2 ARG 45 -6.064 -14.455 -8.283
321 HD2 ARG 45 HD3 ARG 45 -7.960 -15.868 -8.842
322 HD3 ARG 45 HD2 ARG 45 -7.808 -14.660 -10.134
323 HE ARG 45 HE ARG 45 -6.504 -17.336 -10.414
324 HH11 ARG 45 HH22 ARG 45 -9.415 -17.239 -11.181
325 HH12 ARG 45 HH21 ARG 45 -9.323 -16.873 -12.872
326 HH21 ARG 45 HH11 ARG 45 -6.023 -15.820 -12.738
327 HH22 ARG 45 HH12 ARG 45 -7.404 -16.070 -13.753
Start of MODEL 8
1 H1 ILE 1 H1 ILE 1 1.976 12.621 -0.256
2 H2 ILE 1 H2 ILE 1 2.033 14.284 -0.601
3 H3 ILE 1 H3 ILE 1 1.683 13.752 0.974
4 HA ILE 1 HA ILE 1 4.004 14.578 0.694
5 HB ILE 1 HB ILE 1 3.228 13.060 2.477
6 HG12 ILE 1 HG13 ILE 1 5.607 11.587 2.229
7 HG13 ILE 1 HG12 ILE 1 5.918 13.089 1.360
8 HG21 ILE 1 HG21 ILE 1 3.664 10.568 2.098
9 HG22 ILE 1 HG22 ILE 1 3.770 10.949 0.381
10 HG23 ILE 1 HG23 ILE 1 2.271 11.248 1.258
11 HD11 ILE 1 HD11 ILE 1 5.429 12.644 4.253
12 HD12 ILE 1 HD12 ILE 1 4.668 14.073 3.554
13 HD13 ILE 1 HD13 ILE 1 6.417 13.866 3.451
14 H GLY 2 H GLY 2 3.582 14.242 -2.017
15 HA2 GLY 2 HA3 GLY 2 5.136 13.880 -3.809
16 HA3 GLY 2 HA2 GLY 2 5.997 12.720 -2.796
17 H SER 3 H SER 3 5.844 10.717 -3.669
18 HA SER 3 HA SER 3 3.167 9.663 -4.393
19 HB2 SER 3 HB3 SER 3 3.944 9.048 -6.640
20 HB3 SER 3 HB2 SER 3 4.122 10.785 -6.405
21 HG SER 3 HG SER 3 5.983 9.048 -7.057
22 H THR 4 H THR 4 3.658 8.295 -2.499
23 HA THR 4 HA THR 4 5.968 6.633 -2.270
24 HB THR 4 HB THR 4 3.150 6.551 -1.257
25 HG1 THR 4 HG1 THR 4 4.354 8.051 -0.252
26 HG21 THR 4 HG21 THR 4 3.868 4.734 0.293
27 HG22 THR 4 HG22 THR 4 5.377 4.605 -0.610
28 HG23 THR 4 HG23 THR 4 3.846 4.214 -1.391
29 H ALA 5 H ALA 5 6.543 5.263 -3.958
30 HA ALA 5 HA ALA 5 4.406 3.415 -4.958
31 HB1 ALA 5 HB1 ALA 5 5.884 3.613 -7.129
32 HB2 ALA 5 HB2 ALA 5 6.426 5.116 -6.382
33 HB3 ALA 5 HB3 ALA 5 4.716 4.877 -6.746
34 HA PRO 6 HA PRO 6 8.559 1.321 -3.821
35 HB2 PRO 6 HB2 PRO 6 8.110 0.554 -1.243
36 HB3 PRO 6 HB3 PRO 6 8.893 2.093 -1.658
37 HG2 PRO 6 HG3 PRO 6 6.088 1.559 -0.827
38 HG3 PRO 6 HG2 PRO 6 7.150 2.917 -0.420
39 HD2 PRO 6 HD3 PRO 6 5.165 3.045 -2.297
40 HD3 PRO 6 HD2 PRO 6 6.619 4.067 -2.312
41 H THR 7 H THR 7 5.177 0.785 -3.550
42 HA THR 7 HA THR 7 3.852 -1.142 -3.839
43 HB THR 7 HB THR 7 6.103 -2.800 -4.699
44 HG1 THR 7 HG1 THR 7 7.105 -1.225 -5.654
45 HG21 THR 7 HG21 THR 7 4.676 -3.288 -6.517
46 HG22 THR 7 HG22 THR 7 3.803 -1.766 -6.340
47 HG23 THR 7 HG23 THR 7 3.587 -3.050 -5.150
48 H CYS 8 H CYS 8 3.334 -2.998 -2.617
49 HA CYS 8 HA CYS 8 4.735 -3.297 -0.118
50 HB2 CYS 8 HB3 CYS 8 3.082 -5.140 0.212
51 HB3 CYS 8 HB2 CYS 8 2.327 -3.641 -0.312
52 H THR 9 H THR 9 6.721 -4.287 -0.060
53 HA THR 9 HA THR 9 7.846 -5.964 -2.014
54 HB THR 9 HB THR 9 9.341 -6.656 -0.145
55 HG1 THR 9 HG1 THR 9 7.548 -5.217 1.507
56 HG21 THR 9 HG21 THR 9 9.128 -4.210 -1.214
57 HG22 THR 9 HG22 THR 9 10.268 -4.550 0.088
58 HG23 THR 9 HG23 THR 9 8.717 -3.794 0.449
59 H TYR 10 H TYR 10 6.869 -7.756 -2.797
60 HA TYR 10 HA TYR 10 4.738 -9.211 -2.067
61 HB2 TYR 10 HB3 TYR 10 6.127 -9.643 -4.031
62 HB3 TYR 10 HB2 TYR 10 7.416 -10.291 -3.020
63 HD1 TYR 10 HD1 TYR 10 6.898 -12.372 -1.593
64 HD2 TYR 10 HD2 TYR 10 4.395 -11.038 -4.817
65 HE1 TYR 10 HE1 TYR 10 5.863 -14.621 -1.719
66 HE2 TYR 10 HE2 TYR 10 3.357 -13.286 -4.940
67 HH TYR 10 HH TYR 10 4.366 -15.822 -4.139
68 H ASN 11 H ASN 11 7.834 -9.464 -0.333
69 HA ASN 11 HA ASN 11 7.421 -11.861 1.112
70 HB2 ASN 11 HB3 ASN 11 8.755 -9.217 1.769
71 HB3 ASN 11 HB2 ASN 11 8.885 -10.634 2.813
72 HD21 ASN 11 HD22 ASN 11 10.395 -9.063 0.237
73 HD22 ASN 11 HD21 ASN 11 11.290 -10.370 -0.372
74 H GLU 12 H GLU 12 5.799 -8.804 1.279
75 HA GLU 12 HA GLU 12 4.894 -8.776 3.944
76 HB2 GLU 12 HB3 GLU 12 3.741 -7.831 1.314
77 HB3 GLU 12 HB2 GLU 12 2.962 -7.473 2.855
78 HG2 GLU 12 HG3 GLU 12 5.822 -6.752 2.137
79 HG3 GLU 12 HG2 GLU 12 4.460 -5.631 2.141
80 H CYS 13 H CYS 13 3.285 -10.128 1.037
81 HA CYS 13 HA CYS 13 1.054 -11.308 2.374
82 HB2 CYS 13 HB3 CYS 13 2.589 -11.969 -0.156
83 HB3 CYS 13 HB2 CYS 13 1.071 -12.755 0.276
84 H ARG 14 H ARG 14 3.914 -13.018 1.070
85 HA ARG 14 HA ARG 14 4.918 -15.050 1.729
86 HB2 ARG 14 HB3 ARG 14 5.599 -13.345 3.424
87 HB3 ARG 14 HB2 ARG 14 4.235 -13.844 4.422
88 HG2 ARG 14 HG3 ARG 14 5.982 -16.042 3.486
89 HG3 ARG 14 HG2 ARG 14 6.729 -14.923 4.625
90 HD2 ARG 14 HD3 ARG 14 4.346 -15.275 5.862
91 HD3 ARG 14 HD2 ARG 14 4.510 -16.853 5.066
92 HE ARG 14 HE ARG 14 6.321 -17.314 6.510
93 HH11 ARG 14 HH11 ARG 14 5.028 -14.657 7.823
94 HH12 ARG 14 HH12 ARG 14 6.501 -13.905 8.337
95 HH21 ARG 14 HH22 ARG 14 8.537 -16.034 6.509
96 HH22 ARG 14 HH21 ARG 14 8.488 -14.684 7.593
97 H GLY 15 H GLY 15 3.225 -16.491 0.977
98 HA2 GLY 15 HA3 GLY 15 2.292 -18.496 2.500
99 HA3 GLY 15 HA2 GLY 15 1.110 -17.248 2.899
100 H CYS 16 H CYS 16 0.315 -16.069 0.745
101 HA CYS 16 HA CYS 16 -1.182 -17.968 -0.763
102 HB2 CYS 16 HB3 CYS 16 -1.742 -15.956 -2.094
103 HB3 CYS 16 HB2 CYS 16 -1.790 -15.610 -0.370
104 H ARG 17 H ARG 17 -1.026 -17.990 -3.277
105 HA ARG 17 HA ARG 17 1.853 -18.308 -4.066
106 HB2 ARG 17 HB3 ARG 17 0.531 -20.395 -3.809
107 HB3 ARG 17 HB2 ARG 17 -0.633 -19.788 -4.987
108 HG2 ARG 17 HG3 ARG 17 0.642 -20.628 -6.638
109 HG3 ARG 17 HG2 ARG 17 1.931 -19.518 -6.173
110 HD2 ARG 17 HD3 ARG 17 1.583 -22.018 -4.554
111 HD3 ARG 17 HD2 ARG 17 2.357 -22.142 -6.145
112 HE ARG 17 HE ARG 17 3.527 -19.911 -4.899
113 HH11 ARG 17 HH22 ARG 17 4.590 -22.797 -5.709
114 HH12 ARG 17 HH21 ARG 17 5.466 -23.172 -4.262
115 HH21 ARG 17 HH11 ARG 17 4.052 -20.596 -2.423
116 HH22 ARG 17 HH12 ARG 17 5.161 -21.926 -2.401
117 H TYR 18 H TYR 18 -1.248 -16.912 -4.882
118 HA TYR 18 HA TYR 18 -0.845 -16.419 -7.671
119 HB2 TYR 18 HB3 TYR 18 -2.379 -14.909 -5.530
120 HB3 TYR 18 HB2 TYR 18 -2.600 -14.687 -7.265
121 HD1 TYR 18 HD2 TYR 18 -2.563 -17.274 -8.440
122 HD2 TYR 18 HD1 TYR 18 -4.167 -16.107 -4.632
123 HE1 TYR 18 HE2 TYR 18 -4.114 -19.204 -8.505
124 HE2 TYR 18 HE1 TYR 18 -5.720 -18.037 -4.695
125 HH TYR 18 HH TYR 18 -5.358 -20.625 -6.612
126 H LYS 19 H LYS 19 -1.217 -13.534 -7.701
127 HA LYS 19 HA LYS 19 1.617 -12.707 -7.314
128 HB2 LYS 19 HB3 LYS 19 -0.699 -11.380 -8.763
129 HB3 LYS 19 HB2 LYS 19 1.006 -10.957 -8.911
130 HG2 LYS 19 HG3 LYS 19 0.502 -13.803 -9.413
131 HG3 LYS 19 HG2 LYS 19 -0.356 -12.749 -10.537
132 HD2 LYS 19 HD3 LYS 19 1.788 -11.545 -10.980
133 HD3 LYS 19 HD2 LYS 19 2.617 -12.707 -9.944
134 HE2 LYS 19 HE3 LYS 19 0.913 -13.711 -12.215
135 HE3 LYS 19 HE2 LYS 19 2.568 -13.153 -12.529
136 HZ1 LYS 19 HZ1 LYS 19 2.654 -15.462 -11.951
137 HZ2 LYS 19 HZ2 LYS 19 1.727 -15.207 -10.555
138 HZ3 LYS 19 HZ3 LYS 19 3.299 -14.571 -10.656
139 H CYS 20 H CYS 20 2.059 -10.623 -6.270
140 HA CYS 20 HA CYS 20 -0.134 -9.743 -4.417
141 HB2 CYS 20 HB3 CYS 20 2.805 -10.265 -4.042
142 HB3 CYS 20 HB2 CYS 20 1.963 -9.159 -2.962
143 H ARG 21 H ARG 21 -0.268 -7.517 -3.998
144 HA ARG 21 HA ARG 21 1.606 -5.566 -5.107
145 HB2 ARG 21 HB3 ARG 21 -0.186 -6.667 -6.875
146 HB3 ARG 21 HB2 ARG 21 -1.072 -5.263 -6.287
147 HG2 ARG 21 HG3 ARG 21 0.105 -4.226 -7.965
148 HG3 ARG 21 HG2 ARG 21 1.304 -4.090 -6.678
149 HD2 ARG 21 HD3 ARG 21 2.729 -5.539 -7.712
150 HD3 ARG 21 HD2 ARG 21 1.416 -6.654 -8.138
151 HE ARG 21 HE ARG 21 2.407 -4.479 -9.813
152 HH11 ARG 21 HH11 ARG 21 0.790 -7.287 -10.048
153 HH12 ARG 21 HH12 ARG 21 -0.491 -6.729 -11.072
154 HH21 ARG 21 HH22 ARG 21 0.288 -3.374 -10.666
155 HH22 ARG 21 HH21 ARG 21 -0.775 -4.514 -11.422
156 H ALA 22 H ALA 22 1.041 -3.424 -4.344
157 HA ALA 22 HA ALA 22 -1.187 -3.445 -2.343
158 HB1 ALA 22 HB1 ALA 22 1.675 -2.743 -2.241
159 HB2 ALA 22 HB2 ALA 22 0.607 -3.282 -0.948
160 HB3 ALA 22 HB3 ALA 22 0.611 -1.589 -1.441
161 H GLU 23 H GLU 23 -2.315 -1.458 -2.060
162 HA GLU 23 HA GLU 23 -1.754 0.756 -3.964
163 HB2 GLU 23 HB3 GLU 23 -4.133 0.597 -4.767
164 HB3 GLU 23 HB2 GLU 23 -3.157 -0.804 -5.207
165 HG2 GLU 23 HG3 GLU 23 -4.363 -2.210 -3.896
166 HG3 GLU 23 HG2 GLU 23 -4.475 -1.038 -2.583
167 H GLN 24 H GLN 24 -3.247 2.636 -3.477
168 HA GLN 24 HA GLN 24 -3.419 3.071 -0.615
169 HB2 GLN 24 HB3 GLN 24 -3.031 4.611 -2.814
170 HB3 GLN 24 HB2 GLN 24 -4.748 4.905 -2.533
171 HG2 GLN 24 HG3 GLN 24 -4.308 5.609 -0.250
172 HG3 GLN 24 HG2 GLN 24 -2.605 5.176 -0.407
173 HE21 GLN 24 HE22 GLN 24 -3.880 7.892 0.091
174 HE22 GLN 24 HE21 GLN 24 -3.276 8.886 -1.146
175 H VAL 25 H VAL 25 -5.103 2.272 0.571
176 HA VAL 25 HA VAL 25 -7.759 1.921 -0.745
177 HB VAL 25 HB VAL 25 -6.654 -0.015 0.344
178 HG11 VAL 25 HG11 VAL 25 -5.700 0.105 2.392
179 HG12 VAL 25 HG12 VAL 25 -7.112 0.896 3.087
180 HG13 VAL 25 HG13 VAL 25 -5.884 1.853 2.260
181 HG21 VAL 25 HG21 VAL 25 -8.587 -0.803 1.423
182 HG22 VAL 25 HG22 VAL 25 -9.215 0.469 0.376
183 HG23 VAL 25 HG23 VAL 25 -8.973 0.781 2.094
184 HA PRO 26 HA PRO 26 -8.510 5.684 1.700
185 HB2 PRO 26 HB2 PRO 26 -10.692 6.489 0.251
186 HB3 PRO 26 HB3 PRO 26 -9.022 6.832 -0.243
187 HG2 PRO 26 HG3 PRO 26 -10.882 4.713 -1.202
188 HG3 PRO 26 HG2 PRO 26 -9.735 5.705 -2.116
189 HD2 PRO 26 HD3 PRO 26 -9.232 3.129 -1.412
190 HD3 PRO 26 HD2 PRO 26 -7.955 4.349 -1.610
191 H VAL 27 H VAL 27 -9.194 4.498 3.545
192 HA VAL 27 HA VAL 27 -11.906 3.303 3.556
193 HB VAL 27 HB VAL 27 -9.723 3.518 5.656
194 HG11 VAL 27 HG11 VAL 27 -11.050 1.441 6.499
195 HG12 VAL 27 HG12 VAL 27 -12.365 2.089 5.518
196 HG13 VAL 27 HG13 VAL 27 -11.693 3.048 6.835
197 HG21 VAL 27 HG21 VAL 27 -9.652 0.954 4.965
198 HG22 VAL 27 HG22 VAL 27 -8.753 2.156 4.038
199 HG23 VAL 27 HG23 VAL 27 -10.310 1.572 3.450
200 H GLU 28 H GLU 28 -13.487 4.001 5.166
201 HA GLU 28 HA GLU 28 -14.700 5.623 6.382
202 HB2 GLU 28 HB3 GLU 28 -12.007 5.632 7.254
203 HB3 GLU 28 HB2 GLU 28 -12.464 7.328 7.091
204 HG2 GLU 28 HG3 GLU 28 -14.452 5.531 8.387
205 HG3 GLU 28 HG2 GLU 28 -12.995 5.896 9.312
206 H GLY 29 H GLY 29 -15.711 7.580 5.845
207 HA2 GLY 29 HA3 GLY 29 -15.172 8.727 3.287
208 HA3 GLY 29 HA2 GLY 29 -16.261 9.412 4.491
209 H ASN 30 H ASN 30 -14.258 10.768 2.756
210 HA ASN 30 HA ASN 30 -12.119 11.643 4.541
211 HB2 ASN 30 HB3 ASN 30 -11.535 13.041 2.580
212 HB3 ASN 30 HB2 ASN 30 -11.822 11.366 2.110
213 HD21 ASN 30 HD22 ASN 30 -13.145 14.648 1.947
214 HD22 ASN 30 HD21 ASN 30 -14.348 14.297 0.802
215 H ASP 31 H ASP 31 -15.387 12.498 4.121
216 HA ASP 31 HA ASP 31 -15.471 15.297 4.319
217 HB2 ASP 31 HB3 ASP 31 -17.143 12.976 5.035
218 HB3 ASP 31 HB2 ASP 31 -17.518 14.443 5.940
219 HA PRO 32 HA PRO 32 -15.085 15.005 9.070
220 HB2 PRO 32 HB2 PRO 32 -14.433 12.594 10.189
221 HB3 PRO 32 HB3 PRO 32 -16.109 13.099 9.895
222 HG2 PRO 32 HG3 PRO 32 -14.390 11.245 8.334
223 HG3 PRO 32 HG2 PRO 32 -16.124 11.160 8.677
224 HD2 PRO 32 HD3 PRO 32 -15.074 12.001 6.294
225 HD3 PRO 32 HD2 PRO 32 -16.669 12.491 6.906
226 H ILE 33 H ILE 33 -13.068 13.923 10.669
227 HA ILE 33 HA ILE 33 -10.691 15.109 9.703
228 HB ILE 33 HB ILE 33 -11.194 14.553 12.053
229 HG12 ILE 33 HG13 ILE 33 -8.815 12.847 11.650
230 HG13 ILE 33 HG12 ILE 33 -8.742 14.407 10.831
231 HG21 ILE 33 HG21 ILE 33 -10.441 11.808 12.150
232 HG22 ILE 33 HG22 ILE 33 -11.696 11.962 10.921
233 HG23 ILE 33 HG23 ILE 33 -12.001 12.517 12.566
234 HD11 ILE 33 HD11 ILE 33 -9.599 15.339 13.134
235 HD12 ILE 33 HD12 ILE 33 -7.892 14.946 12.937
236 HD13 ILE 33 HD13 ILE 33 -8.966 13.821 13.769
237 H ASN 34 H ASN 34 -8.840 14.246 8.664
238 HA ASN 34 HA ASN 34 -9.302 12.009 6.858
239 HB2 ASN 34 HB3 ASN 34 -6.873 13.699 7.542
240 HB3 ASN 34 HB2 ASN 34 -6.954 12.580 6.181
241 HD21 ASN 34 HD22 ASN 34 -8.320 13.162 4.358
242 HD22 ASN 34 HD21 ASN 34 -8.966 14.722 4.189
243 H SER 35 H SER 35 -6.106 11.974 8.141
244 HA SER 35 HA SER 35 -4.919 10.261 9.250
245 HB2 SER 35 HB3 SER 35 -7.111 11.228 10.804
246 HB3 SER 35 HB2 SER 35 -6.928 9.508 11.126
247 HG SER 35 HG SER 35 -4.813 11.403 11.151
248 H ALA 36 H ALA 36 -5.799 9.169 6.974
249 HA ALA 36 HA ALA 36 -6.286 6.397 7.624
250 HB1 ALA 36 HB1 ALA 36 -8.549 6.248 7.315
251 HB2 ALA 36 HB2 ALA 36 -8.546 7.456 6.031
252 HB3 ALA 36 HB3 ALA 36 -8.519 7.964 7.720
253 H TYR 37 H TYR 37 -7.528 5.688 5.157
254 HA TYR 37 HA TYR 37 -6.882 5.153 2.947
255 HB2 TYR 37 HB3 TYR 37 -5.683 7.831 2.537
256 HB3 TYR 37 HB2 TYR 37 -6.970 7.034 1.641
257 HD1 TYR 37 HD1 TYR 37 -9.255 6.740 3.023
258 HD2 TYR 37 HD2 TYR 37 -6.222 9.668 3.849
259 HE1 TYR 37 HE1 TYR 37 -10.920 8.129 4.218
260 HE2 TYR 37 HE2 TYR 37 -7.889 11.056 5.045
261 HH TYR 37 HH TYR 37 -10.496 10.137 6.281
262 H HIS 38 H HIS 38 -5.138 3.714 3.746
263 HA HIS 38 HA HIS 38 -2.402 4.891 3.447
264 HB2 HIS 38 HB3 HIS 38 -1.856 2.809 4.879
265 HB3 HIS 38 HB2 HIS 38 -2.677 4.142 5.674
266 HD1 HIS 38 HD1 HIS 38 -3.401 0.759 4.107
267 HD2 HIS 38 HD2 HIS 38 -5.178 3.474 6.726
268 HE1 HIS 38 HE1 HIS 38 -5.458 -0.387 5.040
269 H TYR 39 H TYR 39 -0.901 2.677 3.148
270 HA TYR 39 HA TYR 39 -1.848 1.521 0.558
271 HB2 TYR 39 HB3 TYR 39 0.698 2.419 1.755
272 HB3 TYR 39 HB2 TYR 39 0.823 0.908 0.855
273 HD1 TYR 39 HD1 TYR 39 0.191 0.818 -1.550
274 HD2 TYR 39 HD2 TYR 39 0.237 4.511 0.644
275 HE1 TYR 39 HE1 TYR 39 0.143 2.085 -3.680
276 HE2 TYR 39 HE2 TYR 39 0.188 5.777 -1.487
277 HH TYR 39 HH TYR 39 -0.779 4.811 -4.177
278 H ARG 40 H ARG 40 -2.294 -0.657 0.473
279 HA ARG 40 HA ARG 40 -1.323 -2.397 2.719
280 HB2 ARG 40 HB3 ARG 40 -3.603 -3.531 2.414
281 HB3 ARG 40 HB2 ARG 40 -3.639 -1.914 3.121
282 HG2 ARG 40 HG3 ARG 40 -4.594 -0.969 1.258
283 HG3 ARG 40 HG2 ARG 40 -3.785 -2.079 0.152
284 HD2 ARG 40 HD3 ARG 40 -5.336 -3.898 1.219
285 HD3 ARG 40 HD2 ARG 40 -6.314 -2.510 1.736
286 HE ARG 40 HE ARG 40 -5.465 -2.658 -1.114
287 HH11 ARG 40 HH11 ARG 40 -7.829 -4.239 0.484
288 HH12 ARG 40 HH12 ARG 40 -9.173 -3.417 -0.235
289 HH21 ARG 40 HH22 ARG 40 -7.224 -0.945 -1.689
290 HH22 ARG 40 HH21 ARG 40 -8.830 -1.552 -1.466
291 H CYS 41 H CYS 41 -0.901 -4.602 2.101
292 HA CYS 41 HA CYS 41 -0.334 -4.952 -0.797
293 HB2 CYS 41 HB3 CYS 41 1.369 -5.331 1.020
294 HB3 CYS 41 HB2 CYS 41 0.380 -6.667 1.602
295 H VAL 42 H VAL 42 -1.752 -6.113 -2.036
296 HA VAL 42 HA VAL 42 -3.569 -8.057 -0.679
297 HB VAL 42 HB VAL 42 -5.031 -7.542 -2.631
298 HG11 VAL 42 HG11 VAL 42 -5.695 -6.224 -0.862
299 HG12 VAL 42 HG12 VAL 42 -5.186 -4.957 -1.978
300 HG13 VAL 42 HG13 VAL 42 -4.102 -5.484 -0.690
301 HG21 VAL 42 HG21 VAL 42 -2.807 -6.726 -3.905
302 HG22 VAL 42 HG22 VAL 42 -3.380 -5.167 -3.312
303 HG23 VAL 42 HG23 VAL 42 -4.413 -6.150 -4.350
304 H CYS 43 H CYS 43 -3.964 -10.056 -1.871
305 HA CYS 43 HA CYS 43 -1.852 -10.706 -3.861
306 HB2 CYS 43 HB3 CYS 43 -1.654 -11.712 -1.563
307 HB3 CYS 43 HB2 CYS 43 -3.186 -12.534 -1.851
308 H HIS 44 H HIS 44 -3.013 -10.580 -5.794
309 HA HIS 44 HA HIS 44 -5.546 -12.187 -5.947
310 HB2 HIS 44 HB3 HIS 44 -4.669 -9.783 -7.581
311 HB3 HIS 44 HB2 HIS 44 -6.237 -10.581 -7.665
312 HD1 HIS 44 HD1 HIS 44 -5.817 -7.551 -6.798
313 HD2 HIS 44 HD2 HIS 44 -6.361 -10.759 -4.192
314 HE1 HIS 44 HE1 HIS 44 -6.699 -6.575 -4.634
315 H ARG 45 H ARG 45 -5.906 -12.893 -8.346
316 HA ARG 45 HA ARG 45 -3.533 -14.369 -9.201
317 HB2 ARG 45 HB3 ARG 45 -6.174 -14.901 -9.115
318 HB3 ARG 45 HB2 ARG 45 -6.052 -14.334 -10.782
319 HG2 ARG 45 HG3 ARG 45 -3.977 -15.938 -10.886
320 HG3 ARG 45 HG2 ARG 45 -4.738 -16.708 -9.493
321 HD2 ARG 45 HD3 ARG 45 -6.260 -16.144 -12.054
322 HD3 ARG 45 HD2 ARG 45 -5.415 -17.676 -11.758
323 HE ARG 45 HE ARG 45 -6.800 -17.623 -9.519
324 HH11 ARG 45 HH22 ARG 45 -8.473 -15.295 -10.282
325 HH12 ARG 45 HH21 ARG 45 -9.852 -16.043 -11.016
326 HH21 ARG 45 HH11 ARG 45 -8.284 -19.103 -11.469
327 HH22 ARG 45 HH12 ARG 45 -9.746 -18.199 -11.687
Start of MODEL 9
1 H1 ILE 1 H1 ILE 1 6.921 8.236 -11.206
2 H2 ILE 1 H2 ILE 1 7.011 7.666 -9.610
3 H3 ILE 1 H3 ILE 1 8.410 8.221 -10.395
4 HA ILE 1 HA ILE 1 7.594 9.882 -8.817
5 HB ILE 1 HB ILE 1 7.568 11.711 -10.502
6 HG12 ILE 1 HG13 ILE 1 7.788 9.905 -12.811
7 HG13 ILE 1 HG12 ILE 1 6.191 9.884 -12.065
8 HG21 ILE 1 HG21 ILE 1 9.732 11.302 -11.331
9 HG22 ILE 1 HG22 ILE 1 9.433 9.574 -11.519
10 HG23 ILE 1 HG23 ILE 1 9.643 10.262 -9.908
11 HD11 ILE 1 HD11 ILE 1 5.844 12.177 -12.440
12 HD12 ILE 1 HD12 ILE 1 6.681 11.666 -13.906
13 HD13 ILE 1 HD13 ILE 1 7.567 12.503 -12.631
14 H GLY 2 H GLY 2 5.835 11.950 -9.667
15 HA2 GLY 2 HA3 GLY 2 3.558 12.550 -9.740
16 HA3 GLY 2 HA2 GLY 2 3.186 10.890 -10.206
17 H SER 3 H SER 3 2.912 9.303 -8.526
18 HA SER 3 HA SER 3 2.442 10.490 -5.807
19 HB2 SER 3 HB3 SER 3 0.878 8.596 -7.551
20 HB3 SER 3 HB2 SER 3 0.664 8.563 -5.802
21 HG SER 3 HG SER 3 -0.030 10.499 -7.671
22 H THR 4 H THR 4 2.408 8.663 -4.095
23 HA THR 4 HA THR 4 4.912 7.311 -4.034
24 HB THR 4 HB THR 4 2.329 7.150 -2.530
25 HG1 THR 4 HG1 THR 4 3.315 8.644 -1.480
26 HG21 THR 4 HG21 THR 4 3.436 5.665 -0.885
27 HG22 THR 4 HG22 THR 4 4.825 5.532 -1.963
28 HG23 THR 4 HG23 THR 4 3.261 4.878 -2.453
29 H ALA 5 H ALA 5 5.418 5.698 -5.505
30 HA ALA 5 HA ALA 5 3.404 3.504 -5.847
31 HB1 ALA 5 HB1 ALA 5 3.297 4.578 -7.900
32 HB2 ALA 5 HB2 ALA 5 4.615 3.448 -8.211
33 HB3 ALA 5 HB3 ALA 5 4.970 5.129 -7.813
34 HA PRO 6 HA PRO 6 7.861 2.028 -5.038
35 HB2 PRO 6 HB2 PRO 6 7.942 1.792 -2.321
36 HB3 PRO 6 HB3 PRO 6 8.455 3.265 -3.167
37 HG2 PRO 6 HG3 PRO 6 5.943 2.705 -1.696
38 HG3 PRO 6 HG2 PRO 6 6.857 4.213 -1.843
39 HD2 PRO 6 HD3 PRO 6 4.554 3.617 -3.246
40 HD3 PRO 6 HD2 PRO 6 5.759 4.831 -3.723
41 H THR 7 H THR 7 4.665 1.236 -4.282
42 HA THR 7 HA THR 7 3.543 -0.808 -4.007
43 HB THR 7 HB THR 7 5.892 -2.455 -4.499
44 HG1 THR 7 HG1 THR 7 6.283 -1.651 -6.562
45 HG21 THR 7 HG21 THR 7 3.567 -2.043 -6.345
46 HG22 THR 7 HG22 THR 7 3.348 -2.893 -4.815
47 HG23 THR 7 HG23 THR 7 4.474 -3.520 -6.020
48 H CYS 8 H CYS 8 3.160 -2.191 -2.331
49 HA CYS 8 HA CYS 8 4.348 -1.830 0.210
50 HB2 CYS 8 HB3 CYS 8 3.109 -3.985 0.698
51 HB3 CYS 8 HB2 CYS 8 2.134 -2.772 -0.126
52 H THR 9 H THR 9 5.125 -3.999 -2.392
53 HA THR 9 HA THR 9 7.217 -5.074 -2.833
54 HB THR 9 HB THR 9 8.857 -5.376 -1.104
55 HG1 THR 9 HG1 THR 9 8.386 -5.424 0.970
56 HG21 THR 9 HG21 THR 9 9.342 -3.192 -1.206
57 HG22 THR 9 HG22 THR 9 8.195 -2.882 0.096
58 HG23 THR 9 HG23 THR 9 7.660 -2.821 -1.584
59 H TYR 10 H TYR 10 6.659 -7.073 -3.442
60 HA TYR 10 HA TYR 10 4.659 -8.713 -2.634
61 HB2 TYR 10 HB3 TYR 10 6.404 -8.986 -4.477
62 HB3 TYR 10 HB2 TYR 10 7.425 -9.769 -3.271
63 HD1 TYR 10 HD2 TYR 10 6.289 -11.702 -1.890
64 HD2 TYR 10 HD1 TYR 10 4.875 -10.280 -5.689
65 HE1 TYR 10 HE2 TYR 10 5.064 -13.832 -2.233
66 HE2 TYR 10 HE1 TYR 10 3.651 -12.409 -6.031
67 HH TYR 10 HH TYR 10 2.657 -14.250 -4.328
68 H ASN 11 H ASN 11 7.672 -8.331 -0.816
69 HA ASN 11 HA ASN 11 7.570 -10.635 0.823
70 HB2 ASN 11 HB3 ASN 11 8.528 -7.789 1.204
71 HB3 ASN 11 HB2 ASN 11 8.771 -9.023 2.442
72 HD21 ASN 11 HD22 ASN 11 10.212 -7.646 -0.283
73 HD22 ASN 11 HD21 ASN 11 11.288 -8.901 -0.666
74 H GLU 12 H GLU 12 5.554 -7.804 0.725
75 HA GLU 12 HA GLU 12 4.568 -7.930 3.417
76 HB2 GLU 12 HB3 GLU 12 3.266 -6.870 0.892
77 HB3 GLU 12 HB2 GLU 12 2.837 -6.418 2.536
78 HG2 GLU 12 HG3 GLU 12 5.116 -5.524 0.856
79 HG3 GLU 12 HG2 GLU 12 4.236 -4.663 2.115
80 H CYS 13 H CYS 13 3.378 -9.154 0.301
81 HA CYS 13 HA CYS 13 1.068 -10.527 1.423
82 HB2 CYS 13 HB3 CYS 13 1.237 -9.549 -0.851
83 HB3 CYS 13 HB2 CYS 13 2.507 -10.704 -1.244
84 H ARG 14 H ARG 14 4.194 -11.249 1.969
85 HA ARG 14 HA ARG 14 4.841 -13.812 1.125
86 HB2 ARG 14 HB3 ARG 14 5.382 -12.048 3.385
87 HB3 ARG 14 HB2 ARG 14 5.471 -13.745 3.856
88 HG2 ARG 14 HG3 ARG 14 6.758 -13.137 1.272
89 HG3 ARG 14 HG2 ARG 14 7.515 -12.358 2.661
90 HD2 ARG 14 HD3 ARG 14 8.574 -14.340 3.019
91 HD3 ARG 14 HD2 ARG 14 7.000 -14.973 3.539
92 HE ARG 14 HE ARG 14 6.597 -15.609 1.147
93 HH11 ARG 14 HH11 ARG 14 9.476 -16.273 2.613
94 HH12 ARG 14 HH12 ARG 14 10.396 -16.501 1.163
95 HH21 ARG 14 HH22 ARG 14 7.909 -15.281 -0.923
96 HH22 ARG 14 HH21 ARG 14 9.509 -15.939 -0.839
97 H GLY 15 H GLY 15 3.418 -15.518 1.016
98 HA2 GLY 15 HA3 GLY 15 2.590 -17.044 3.166
99 HA3 GLY 15 HA2 GLY 15 1.275 -15.887 2.953
100 H CYS 16 H CYS 16 0.447 -15.726 0.620
101 HA CYS 16 HA CYS 16 -0.312 -18.362 -0.300
102 HB2 CYS 16 HB3 CYS 16 -1.526 -17.029 -1.980
103 HB3 CYS 16 HB2 CYS 16 -1.722 -16.326 -0.381
104 H ARG 17 H ARG 17 -0.240 -18.056 -3.095
105 HA ARG 17 HA ARG 17 2.646 -17.796 -3.807
106 HB2 ARG 17 HB3 ARG 17 2.509 -20.027 -4.904
107 HB3 ARG 17 HB2 ARG 17 2.223 -20.134 -3.166
108 HG2 ARG 17 HG3 ARG 17 -0.198 -19.673 -4.808
109 HG3 ARG 17 HG2 ARG 17 0.578 -21.239 -5.040
110 HD2 ARG 17 HD3 ARG 17 0.140 -20.236 -2.238
111 HD3 ARG 17 HD2 ARG 17 -1.209 -20.975 -3.124
112 HE ARG 17 HE ARG 17 0.761 -22.775 -3.608
113 HH11 ARG 17 HH11 ARG 17 1.350 -21.051 -0.869
114 HH12 ARG 17 HH12 ARG 17 1.151 -22.359 0.250
115 HH21 ARG 17 HH22 ARG 17 -0.175 -24.527 -2.111
116 HH22 ARG 17 HH21 ARG 17 0.287 -24.327 -0.454
117 H TYR 18 H TYR 18 0.927 -15.868 -4.575
118 HA TYR 18 HA TYR 18 0.513 -16.422 -7.483
119 HB2 TYR 18 HB3 TYR 18 -1.474 -15.281 -5.496
120 HB3 TYR 18 HB2 TYR 18 -1.709 -15.259 -7.241
121 HD1 TYR 18 HD2 TYR 18 -1.465 -17.549 -8.477
122 HD2 TYR 18 HD1 TYR 18 -2.195 -17.139 -4.265
123 HE1 TYR 18 HE2 TYR 18 -2.337 -19.866 -8.405
124 HE2 TYR 18 HE1 TYR 18 -3.069 -19.458 -4.191
125 HH TYR 18 HH TYR 18 -4.176 -21.064 -6.017
126 H LYS 19 H LYS 19 -0.792 -13.830 -7.832
127 HA LYS 19 HA LYS 19 1.590 -12.122 -7.918
128 HB2 LYS 19 HB3 LYS 19 -1.312 -11.575 -8.628
129 HB3 LYS 19 HB2 LYS 19 0.091 -10.664 -9.185
130 HG2 LYS 19 HG3 LYS 19 -0.224 -13.625 -9.724
131 HG3 LYS 19 HG2 LYS 19 -0.850 -12.396 -10.821
132 HD2 LYS 19 HD3 LYS 19 1.257 -11.682 -11.453
133 HD3 LYS 19 HD2 LYS 19 1.987 -12.142 -9.914
134 HE2 LYS 19 HE3 LYS 19 2.152 -14.412 -10.527
135 HE3 LYS 19 HE2 LYS 19 0.922 -14.252 -11.797
136 HZ1 LYS 19 HZ1 LYS 19 2.482 -12.584 -12.841
137 HZ2 LYS 19 HZ2 LYS 19 2.983 -14.203 -12.911
138 HZ3 LYS 19 HZ3 LYS 19 3.676 -13.150 -11.772
139 H CYS 20 H CYS 20 1.924 -10.267 -6.638
140 HA CYS 20 HA CYS 20 -0.158 -9.655 -4.573
141 HB2 CYS 20 HB3 CYS 20 2.834 -9.981 -4.191
142 HB3 CYS 20 HB2 CYS 20 1.698 -9.501 -2.933
143 H ARG 21 H ARG 21 -0.459 -7.486 -4.219
144 HA ARG 21 HA ARG 21 1.556 -5.455 -4.897
145 HB2 ARG 21 HB3 ARG 21 -0.228 -6.427 -6.876
146 HB3 ARG 21 HB2 ARG 21 -0.844 -4.849 -6.388
147 HG2 ARG 21 HG3 ARG 21 0.681 -4.229 -8.031
148 HG3 ARG 21 HG2 ARG 21 1.686 -4.132 -6.585
149 HD2 ARG 21 HD3 ARG 21 2.964 -5.929 -7.204
150 HD3 ARG 21 HD2 ARG 21 1.573 -6.806 -7.871
151 HE ARG 21 HE ARG 21 3.050 -4.629 -9.287
152 HH11 ARG 21 HH22 ARG 21 -0.001 -5.877 -9.420
153 HH12 ARG 21 HH21 ARG 21 0.115 -6.531 -11.020
154 HH21 ARG 21 HH11 ARG 21 3.538 -6.038 -11.260
155 HH22 ARG 21 HH12 ARG 21 2.117 -6.621 -12.061
156 H ALA 22 H ALA 22 0.866 -3.363 -4.081
157 HA ALA 22 HA ALA 22 -1.473 -3.580 -2.226
158 HB1 ALA 22 HB1 ALA 22 0.444 -3.301 -0.929
159 HB2 ALA 22 HB2 ALA 22 -0.049 -1.624 -1.153
160 HB3 ALA 22 HB3 ALA 22 1.240 -2.306 -2.145
161 H GLU 23 H GLU 23 -2.679 -1.535 -1.868
162 HA GLU 23 HA GLU 23 -2.549 0.330 -4.213
163 HB2 GLU 23 HB3 GLU 23 -4.567 -1.536 -3.417
164 HB3 GLU 23 HB2 GLU 23 -5.210 0.088 -3.172
165 HG2 GLU 23 HG3 GLU 23 -3.739 -0.473 -5.715
166 HG3 GLU 23 HG2 GLU 23 -5.377 -1.106 -5.544
167 H GLN 24 H GLN 24 -3.147 2.509 -3.737
168 HA GLN 24 HA GLN 24 -2.595 3.385 -1.019
169 HB2 GLN 24 HB3 GLN 24 -1.884 4.487 -3.181
170 HB3 GLN 24 HB2 GLN 24 -3.571 4.937 -3.432
171 HG2 GLN 24 HG3 GLN 24 -3.482 6.038 -1.132
172 HG3 GLN 24 HG2 GLN 24 -1.734 5.814 -1.196
173 HE21 GLN 24 HE22 GLN 24 -0.547 7.382 -2.328
174 HE22 GLN 24 HE21 GLN 24 -1.233 8.567 -3.330
175 H VAL 25 H VAL 25 -4.138 3.810 0.538
176 HA VAL 25 HA VAL 25 -6.966 4.219 -0.365
177 HB VAL 25 HB VAL 25 -7.016 2.899 2.129
178 HG11 VAL 25 HG11 VAL 25 -7.499 1.984 -0.713
179 HG12 VAL 25 HG12 VAL 25 -8.689 2.571 0.448
180 HG13 VAL 25 HG13 VAL 25 -7.913 1.008 0.697
181 HG21 VAL 25 HG21 VAL 25 -5.117 1.516 0.202
182 HG22 VAL 25 HG22 VAL 25 -5.712 0.859 1.727
183 HG23 VAL 25 HG23 VAL 25 -4.641 2.260 1.729
184 HA PRO 26 HA PRO 26 -6.201 7.746 2.319
185 HB2 PRO 26 HB2 PRO 26 -8.598 8.978 1.832
186 HB3 PRO 26 HB3 PRO 26 -7.210 9.081 0.727
187 HG2 PRO 26 HG3 PRO 26 -9.608 7.310 0.589
188 HG3 PRO 26 HG2 PRO 26 -8.792 8.203 -0.705
189 HD2 PRO 26 HD3 PRO 26 -8.412 5.562 -0.334
190 HD3 PRO 26 HD2 PRO 26 -7.118 6.630 -0.922
191 H VAL 27 H VAL 27 -6.480 7.500 4.520
192 HA VAL 27 HA VAL 27 -9.025 7.416 5.806
193 HB VAL 27 HB VAL 27 -8.053 4.926 4.686
194 HG11 VAL 27 HG11 VAL 27 -8.420 3.494 6.691
195 HG12 VAL 27 HG12 VAL 27 -8.502 4.948 7.687
196 HG13 VAL 27 HG13 VAL 27 -7.002 4.528 6.860
197 HG21 VAL 27 HG21 VAL 27 -10.303 5.113 4.381
198 HG22 VAL 27 HG22 VAL 27 -10.514 6.104 5.824
199 HG23 VAL 27 HG23 VAL 27 -10.399 4.350 5.967
200 H GLU 28 H GLU 28 -5.561 6.695 5.968
201 HA GLU 28 HA GLU 28 -5.624 7.455 8.845
202 HB2 GLU 28 HB3 GLU 28 -3.987 5.734 9.267
203 HB3 GLU 28 HB2 GLU 28 -5.319 5.006 8.369
204 HG2 GLU 28 HG3 GLU 28 -3.743 4.262 6.926
205 HG3 GLU 28 HG2 GLU 28 -3.639 5.929 6.360
206 H GLY 29 H GLY 29 -2.832 7.392 9.225
207 HA2 GLY 29 HA3 GLY 29 -0.906 8.698 8.901
208 HA3 GLY 29 HA2 GLY 29 -1.377 8.825 7.204
209 H ASN 30 H ASN 30 -2.159 10.150 10.425
210 HA ASN 30 HA ASN 30 -2.930 12.293 11.045
211 HB2 ASN 30 HB3 ASN 30 -1.469 12.899 8.450
212 HB3 ASN 30 HB2 ASN 30 -1.934 14.109 9.648
213 HD21 ASN 30 HD22 ASN 30 -0.538 14.405 11.427
214 HD22 ASN 30 HD21 ASN 30 0.805 13.422 11.756
215 H ASP 31 H ASP 31 -5.176 11.746 10.720
216 HA ASP 31 HA ASP 31 -6.720 11.617 8.440
217 HB2 ASP 31 HB3 ASP 31 -7.054 12.476 11.238
218 HB3 ASP 31 HB2 ASP 31 -8.292 13.095 10.145
219 HA PRO 32 HA PRO 32 -7.169 16.365 8.165
220 HB2 PRO 32 HB2 PRO 32 -5.523 17.920 9.704
221 HB3 PRO 32 HB3 PRO 32 -7.116 17.359 10.251
222 HG2 PRO 32 HG3 PRO 32 -4.413 16.315 10.911
223 HG3 PRO 32 HG2 PRO 32 -5.846 16.471 11.939
224 HD2 PRO 32 HD3 PRO 32 -5.019 14.119 10.822
225 HD3 PRO 32 HD2 PRO 32 -6.705 14.465 11.264
226 H ILE 33 H ILE 33 -6.103 17.539 6.551
227 HA ILE 33 HA ILE 33 -4.522 17.861 4.848
228 HB ILE 33 HB ILE 33 -3.780 19.044 7.059
229 HG12 ILE 33 HG13 ILE 33 -1.528 18.685 5.119
230 HG13 ILE 33 HG12 ILE 33 -3.057 19.345 4.538
231 HG21 ILE 33 HG21 ILE 33 -1.914 16.702 6.912
232 HG22 ILE 33 HG22 ILE 33 -2.604 17.498 8.324
233 HG23 ILE 33 HG23 ILE 33 -1.281 18.257 7.442
234 HD11 ILE 33 HD11 ILE 33 -2.810 20.851 6.731
235 HD12 ILE 33 HD12 ILE 33 -2.043 21.307 5.209
236 HD13 ILE 33 HD13 ILE 33 -1.099 20.511 6.468
237 H ASN 34 H ASN 34 -2.122 17.073 4.178
238 HA ASN 34 HA ASN 34 -0.865 15.258 3.360
239 HB2 ASN 34 HB3 ASN 34 -1.761 14.202 6.059
240 HB3 ASN 34 HB2 ASN 34 -0.486 13.478 5.080
241 HD21 ASN 34 HD22 ASN 34 0.855 15.773 4.133
242 HD22 ASN 34 HD21 ASN 34 1.515 16.621 5.446
243 H SER 35 H SER 35 -4.047 15.270 3.219
244 HA SER 35 HA SER 35 -5.738 13.787 2.466
245 HB2 SER 35 HB3 SER 35 -3.405 13.884 0.832
246 HB3 SER 35 HB2 SER 35 -4.059 12.253 0.746
247 HG SER 35 HG SER 35 -5.217 13.336 -0.729
248 H ALA 36 H ALA 36 -4.873 12.831 4.915
249 HA ALA 36 HA ALA 36 -3.830 10.613 5.757
250 HB1 ALA 36 HB1 ALA 36 -5.820 10.044 6.941
251 HB2 ALA 36 HB2 ALA 36 -6.848 10.624 5.630
252 HB3 ALA 36 HB3 ALA 36 -5.942 11.773 6.614
253 H TYR 37 H TYR 37 -3.122 8.754 4.771
254 HA TYR 37 HA TYR 37 -5.004 6.934 3.478
255 HB2 TYR 37 HB3 TYR 37 -4.173 7.176 1.233
256 HB3 TYR 37 HB2 TYR 37 -4.502 8.809 1.814
257 HD1 TYR 37 HD2 TYR 37 -2.584 10.188 2.756
258 HD2 TYR 37 HD1 TYR 37 -1.985 6.510 0.629
259 HE1 TYR 37 HE2 TYR 37 -0.211 10.782 2.402
260 HE2 TYR 37 HE1 TYR 37 0.391 7.097 0.275
261 HH TYR 37 HH TYR 37 1.622 10.254 0.943
262 H HIS 38 H HIS 38 -3.961 4.884 2.902
263 HA HIS 38 HA HIS 38 -1.152 4.574 3.853
264 HB2 HIS 38 HB3 HIS 38 -2.162 2.324 4.738
265 HB3 HIS 38 HB2 HIS 38 -2.365 3.782 5.692
266 HD1 HIS 38 HD1 HIS 38 -4.230 1.122 4.000
267 HD2 HIS 38 HD2 HIS 38 -5.048 5.004 5.279
268 HE1 HIS 38 HE1 HIS 38 -6.752 1.351 4.030
269 H TYR 39 H TYR 39 -0.640 2.050 3.318
270 HA TYR 39 HA TYR 39 -1.626 1.476 0.544
271 HB2 TYR 39 HB3 TYR 39 1.021 2.183 1.541
272 HB3 TYR 39 HB2 TYR 39 1.048 0.604 0.758
273 HD1 TYR 39 HD1 TYR 39 0.128 4.177 0.292
274 HD2 TYR 39 HD2 TYR 39 0.798 0.383 -1.610
275 HE1 TYR 39 HE1 TYR 39 0.050 5.277 -1.929
276 HE2 TYR 39 HE2 TYR 39 0.720 1.482 -3.830
277 HH TYR 39 HH TYR 39 -0.504 3.846 -4.667
278 H ARG 40 H ARG 40 -2.691 -0.478 0.733
279 HA ARG 40 HA ARG 40 -1.635 -2.464 2.715
280 HB2 ARG 40 HB3 ARG 40 -3.954 -3.408 2.504
281 HB3 ARG 40 HB2 ARG 40 -3.927 -1.741 3.070
282 HG2 ARG 40 HG3 ARG 40 -4.698 -0.895 1.027
283 HG3 ARG 40 HG2 ARG 40 -4.180 -2.320 0.128
284 HD2 ARG 40 HD3 ARG 40 -5.925 -3.643 1.442
285 HD3 ARG 40 HD2 ARG 40 -6.555 -2.076 1.994
286 HE ARG 40 HE ARG 40 -6.609 -1.523 -0.556
287 HH11 ARG 40 HH22 ARG 40 -8.585 -3.581 0.930
288 HH12 ARG 40 HH21 ARG 40 -8.870 -4.652 -0.401
289 HH21 ARG 40 HH11 ARG 40 -6.297 -3.364 -2.336
290 HH22 ARG 40 HH12 ARG 40 -7.576 -4.529 -2.249
291 H CYS 41 H CYS 41 -0.772 -4.361 1.971
292 HA CYS 41 HA CYS 41 -0.660 -4.826 -0.947
293 HB2 CYS 41 HB3 CYS 41 1.269 -4.964 0.754
294 HB3 CYS 41 HB2 CYS 41 0.539 -6.478 1.289
295 H VAL 42 H VAL 42 -1.864 -6.387 -1.982
296 HA VAL 42 HA VAL 42 -3.339 -8.359 -0.278
297 HB VAL 42 HB VAL 42 -5.036 -7.994 -2.299
298 HG11 VAL 42 HG11 VAL 42 -4.769 -5.968 -0.066
299 HG12 VAL 42 HG12 VAL 42 -5.417 -7.595 0.150
300 HG13 VAL 42 HG13 VAL 42 -6.255 -6.442 -0.890
301 HG21 VAL 42 HG21 VAL 42 -3.713 -5.279 -2.077
302 HG22 VAL 42 HG22 VAL 42 -5.060 -5.725 -3.126
303 HG23 VAL 42 HG23 VAL 42 -3.452 -6.385 -3.426
304 H CYS 43 H CYS 43 -3.915 -10.356 -1.464
305 HA CYS 43 HA CYS 43 -1.855 -11.061 -3.468
306 HB2 CYS 43 HB3 CYS 43 -2.104 -12.381 -1.382
307 HB3 CYS 43 HB2 CYS 43 -3.767 -12.746 -1.827
308 H HIS 44 H HIS 44 -2.431 -11.340 -5.583
309 HA HIS 44 HA HIS 44 -5.330 -11.795 -6.218
310 HB2 HIS 44 HB3 HIS 44 -3.272 -10.075 -7.636
311 HB3 HIS 44 HB2 HIS 44 -4.913 -10.353 -8.211
312 HD1 HIS 44 HD1 HIS 44 -6.621 -8.728 -7.418
313 HD2 HIS 44 HD2 HIS 44 -3.320 -8.835 -4.875
314 HE1 HIS 44 HE1 HIS 44 -7.009 -6.941 -5.665
315 H ARG 45 H ARG 45 -5.448 -12.618 -8.613
316 HA ARG 45 HA ARG 45 -3.143 -14.327 -9.331
317 HB2 ARG 45 HB3 ARG 45 -5.974 -15.363 -9.025
318 HB3 ARG 45 HB2 ARG 45 -4.529 -16.317 -9.353
319 HG2 ARG 45 HG3 ARG 45 -3.605 -15.612 -7.148
320 HG3 ARG 45 HG2 ARG 45 -5.113 -14.764 -6.815
321 HD2 ARG 45 HD3 ARG 45 -6.079 -17.218 -7.513
322 HD3 ARG 45 HD2 ARG 45 -4.542 -17.668 -6.748
323 HE ARG 45 HE ARG 45 -5.270 -16.551 -4.716
324 HH11 ARG 45 HH22 ARG 45 -7.722 -18.141 -5.886
325 HH12 ARG 45 HH21 ARG 45 -8.988 -17.020 -5.510
326 HH21 ARG 45 HH11 ARG 45 -6.827 -14.394 -4.836
327 HH22 ARG 45 HH12 ARG 45 -8.482 -14.898 -4.917
Start of MODEL 10
1 H1 ILE 1 H1 ILE 1 3.692 13.902 4.821
2 H2 ILE 1 H2 ILE 1 2.327 14.276 3.881
3 H3 ILE 1 H3 ILE 1 3.642 15.350 3.939
4 HA ILE 1 HA ILE 1 3.506 13.978 1.855
5 HB ILE 1 HB ILE 1 5.503 15.167 2.684
6 HG12 ILE 1 HG13 ILE 1 6.700 12.556 1.948
7 HG13 ILE 1 HG12 ILE 1 5.467 13.161 0.841
8 HG21 ILE 1 HG21 ILE 1 5.756 14.298 4.894
9 HG22 ILE 1 HG22 ILE 1 7.179 13.759 4.004
10 HG23 ILE 1 HG23 ILE 1 5.853 12.638 4.307
11 HD11 ILE 1 HD11 ILE 1 8.057 14.480 1.657
12 HD12 ILE 1 HD12 ILE 1 6.736 15.405 0.943
13 HD13 ILE 1 HD13 ILE 1 7.489 14.096 0.032
14 H GLY 2 H GLY 2 3.825 11.857 0.964
15 HA2 GLY 2 HA3 GLY 2 4.585 9.527 2.343
16 HA3 GLY 2 HA2 GLY 2 2.844 9.682 2.574
17 H SER 3 H SER 3 1.636 8.683 1.058
18 HA SER 3 HA SER 3 1.037 7.618 -0.957
19 HB2 SER 3 HB3 SER 3 1.211 9.066 -2.788
20 HB3 SER 3 HB2 SER 3 1.411 10.174 -1.435
21 HG SER 3 HG SER 3 3.170 10.652 -2.520
22 H THR 4 H THR 4 2.030 5.597 -0.926
23 HA THR 4 HA THR 4 4.824 5.075 -1.151
24 HB THR 4 HB THR 4 2.862 3.157 -2.264
25 HG1 THR 4 HG1 THR 4 2.813 4.130 0.392
26 HG21 THR 4 HG21 THR 4 5.407 2.970 -1.339
27 HG22 THR 4 HG22 THR 4 4.275 1.618 -1.360
28 HG23 THR 4 HG23 THR 4 4.503 2.556 0.117
29 H ALA 5 H ALA 5 5.017 3.233 -3.278
30 HA ALA 5 HA ALA 5 4.195 4.193 -5.831
31 HB1 ALA 5 HB1 ALA 5 6.798 5.061 -6.129
32 HB2 ALA 5 HB2 ALA 5 6.401 5.603 -4.499
33 HB3 ALA 5 HB3 ALA 5 5.408 6.112 -5.864
34 HA PRO 6 HA PRO 6 7.916 1.267 -6.430
35 HB2 PRO 6 HB2 PRO 6 9.433 0.589 -4.260
36 HB3 PRO 6 HB3 PRO 6 9.771 2.003 -5.277
37 HG2 PRO 6 HG3 PRO 6 8.465 1.855 -2.615
38 HG3 PRO 6 HG2 PRO 6 9.548 3.088 -3.277
39 HD2 PRO 6 HD3 PRO 6 6.823 3.354 -3.094
40 HD3 PRO 6 HD2 PRO 6 7.841 4.242 -4.245
41 H THR 7 H THR 7 5.241 0.739 -5.271
42 HA THR 7 HA THR 7 3.929 -1.004 -4.422
43 HB THR 7 HB THR 7 5.079 -3.235 -5.250
44 HG1 THR 7 HG1 THR 7 7.055 -2.659 -5.806
45 HG21 THR 7 HG21 THR 7 3.165 -1.691 -6.172
46 HG22 THR 7 HG22 THR 7 3.867 -2.942 -7.197
47 HG23 THR 7 HG23 THR 7 4.380 -1.264 -7.378
48 H CYS 8 H CYS 8 3.655 -2.408 -2.727
49 HA CYS 8 HA CYS 8 5.317 -2.228 -0.452
50 HB2 CYS 8 HB3 CYS 8 3.899 -4.169 0.311
51 HB3 CYS 8 HB2 CYS 8 2.956 -2.863 -0.398
52 H THR 9 H THR 9 5.316 -4.429 -3.132
53 HA THR 9 HA THR 9 7.066 -5.808 -3.947
54 HB THR 9 HB THR 9 9.062 -6.155 -2.718
55 HG1 THR 9 HG1 THR 9 7.385 -5.912 -0.533
56 HG21 THR 9 HG21 THR 9 8.776 -3.640 -1.341
57 HG22 THR 9 HG22 THR 9 8.000 -3.552 -2.922
58 HG23 THR 9 HG23 THR 9 9.697 -4.010 -2.798
59 H TYR 10 H TYR 10 6.215 -7.746 -4.291
60 HA TYR 10 HA TYR 10 4.303 -9.153 -3.003
61 HB2 TYR 10 HB3 TYR 10 5.182 -9.886 -5.091
62 HB3 TYR 10 HB2 TYR 10 6.798 -10.099 -4.426
63 HD1 TYR 10 HD2 TYR 10 3.542 -11.195 -2.948
64 HD2 TYR 10 HD1 TYR 10 7.232 -12.395 -4.789
65 HE1 TYR 10 HE2 TYR 10 3.024 -13.565 -2.440
66 HE2 TYR 10 HE1 TYR 10 6.714 -14.765 -4.281
67 HH TYR 10 HH TYR 10 4.796 -16.166 -3.809
68 H ASN 11 H ASN 11 7.646 -9.001 -1.832
69 HA ASN 11 HA ASN 11 7.677 -11.221 -0.092
70 HB2 ASN 11 HB3 ASN 11 9.500 -9.506 -0.753
71 HB3 ASN 11 HB2 ASN 11 8.839 -8.499 0.535
72 HD21 ASN 11 HD22 ASN 11 9.569 -12.031 0.233
73 HD22 ASN 11 HD21 ASN 11 10.433 -12.120 1.690
74 H GLU 12 H GLU 12 5.939 -8.204 0.079
75 HA GLU 12 HA GLU 12 5.436 -8.185 2.895
76 HB2 GLU 12 HB3 GLU 12 3.734 -7.154 0.606
77 HB3 GLU 12 HB2 GLU 12 3.654 -6.606 2.274
78 HG2 GLU 12 HG3 GLU 12 5.574 -5.894 0.139
79 HG3 GLU 12 HG2 GLU 12 5.042 -4.962 1.535
80 H CYS 13 H CYS 13 3.582 -9.364 0.106
81 HA CYS 13 HA CYS 13 1.526 -10.665 1.722
82 HB2 CYS 13 HB3 CYS 13 1.238 -9.562 -0.502
83 HB3 CYS 13 HB2 CYS 13 2.257 -10.810 -1.217
84 H ARG 14 H ARG 14 4.560 -11.552 1.741
85 HA ARG 14 HA ARG 14 4.969 -14.041 0.537
86 HB2 ARG 14 HB3 ARG 14 6.560 -12.669 1.910
87 HB3 ARG 14 HB2 ARG 14 5.719 -13.219 3.360
88 HG2 ARG 14 HG3 ARG 14 6.506 -15.394 1.532
89 HG3 ARG 14 HG2 ARG 14 7.864 -14.506 2.225
90 HD2 ARG 14 HD3 ARG 14 6.950 -14.870 4.498
91 HD3 ARG 14 HD2 ARG 14 5.595 -15.780 3.799
92 HE ARG 14 HE ARG 14 8.112 -16.804 2.824
93 HH11 ARG 14 HH22 ARG 14 8.199 -16.515 5.930
94 HH12 ARG 14 HH21 ARG 14 7.755 -18.125 6.389
95 HH21 ARG 14 HH11 ARG 14 6.586 -18.985 3.239
96 HH22 ARG 14 HH12 ARG 14 6.840 -19.524 4.865
97 H GLY 15 H GLY 15 3.280 -15.541 0.498
98 HA2 GLY 15 HA3 GLY 15 2.820 -17.272 2.656
99 HA3 GLY 15 HA2 GLY 15 1.545 -16.057 2.742
100 H CYS 16 H CYS 16 0.302 -15.716 0.652
101 HA CYS 16 HA CYS 16 -0.841 -18.138 -0.282
102 HB2 CYS 16 HB3 CYS 16 -1.909 -16.612 -1.920
103 HB3 CYS 16 HB2 CYS 16 -1.910 -15.921 -0.302
104 H ARG 17 H ARG 17 -0.960 -18.283 -2.938
105 HA ARG 17 HA ARG 17 1.882 -18.468 -3.895
106 HB2 ARG 17 HB3 ARG 17 -0.430 -20.352 -4.466
107 HB3 ARG 17 HB2 ARG 17 1.256 -20.588 -4.922
108 HG2 ARG 17 HG3 ARG 17 1.340 -20.130 -2.163
109 HG3 ARG 17 HG2 ARG 17 -0.065 -21.170 -2.396
110 HD2 ARG 17 HD3 ARG 17 1.642 -22.471 -4.010
111 HD3 ARG 17 HD2 ARG 17 2.821 -21.757 -2.892
112 HE ARG 17 HE ARG 17 0.626 -23.611 -2.118
113 HH11 ARG 17 HH22 ARG 17 0.991 -21.628 0.036
114 HH12 ARG 17 HH21 ARG 17 2.255 -22.322 0.995
115 HH21 ARG 17 HH11 ARG 17 3.281 -24.529 -1.475
116 HH22 ARG 17 HH12 ARG 17 3.550 -23.966 0.140
117 H TYR 18 H TYR 18 0.462 -16.174 -4.497
118 HA TYR 18 HA TYR 18 -0.048 -16.533 -7.413
119 HB2 TYR 18 HB3 TYR 18 -1.876 -15.177 -5.408
120 HB3 TYR 18 HB2 TYR 18 -2.130 -15.195 -7.152
121 HD1 TYR 18 HD2 TYR 18 -2.591 -17.322 -8.337
122 HD2 TYR 18 HD1 TYR 18 -2.319 -17.130 -4.055
123 HE1 TYR 18 HE2 TYR 18 -3.693 -19.533 -8.172
124 HE2 TYR 18 HE1 TYR 18 -3.420 -19.344 -3.888
125 HH TYR 18 HH TYR 18 -3.815 -21.307 -5.220
126 H LYS 19 H LYS 19 -0.977 -13.808 -7.701
127 HA LYS 19 HA LYS 19 1.628 -12.407 -7.432
128 HB2 LYS 19 HB3 LYS 19 -0.940 -11.630 -8.854
129 HB3 LYS 19 HB2 LYS 19 0.656 -10.927 -9.109
130 HG2 LYS 19 HG3 LYS 19 0.666 -13.841 -9.410
131 HG3 LYS 19 HG2 LYS 19 -0.431 -13.051 -10.542
132 HD2 LYS 19 HD3 LYS 19 1.321 -11.670 -11.417
133 HD3 LYS 19 HD2 LYS 19 2.418 -12.125 -10.113
134 HE2 LYS 19 HE3 LYS 19 1.684 -14.578 -11.234
135 HE3 LYS 19 HE2 LYS 19 1.896 -13.506 -12.634
136 HZ1 LYS 19 HZ1 LYS 19 3.813 -13.716 -10.372
137 HZ2 LYS 19 HZ2 LYS 19 4.015 -12.805 -11.789
138 HZ3 LYS 19 HZ3 LYS 19 4.006 -14.502 -11.865
139 H CYS 20 H CYS 20 1.831 -10.470 -6.232
140 HA CYS 20 HA CYS 20 -0.605 -9.547 -4.751
141 HB2 CYS 20 HB3 CYS 20 2.186 -10.057 -3.673
142 HB3 CYS 20 HB2 CYS 20 0.859 -9.364 -2.743
143 H ARG 21 H ARG 21 -0.582 -7.316 -4.200
144 HA ARG 21 HA ARG 21 1.680 -5.569 -4.869
145 HB2 ARG 21 HB3 ARG 21 -0.585 -6.128 -6.715
146 HB3 ARG 21 HB2 ARG 21 -0.159 -4.427 -6.524
147 HG2 ARG 21 HG3 ARG 21 2.317 -5.538 -6.777
148 HG3 ARG 21 HG2 ARG 21 1.368 -6.623 -7.794
149 HD2 ARG 21 HD3 ARG 21 0.529 -3.935 -8.351
150 HD3 ARG 21 HD2 ARG 21 2.299 -4.005 -8.448
151 HE ARG 21 HE ARG 21 0.696 -6.131 -9.789
152 HH11 ARG 21 HH11 ARG 21 1.638 -3.057 -10.561
153 HH12 ARG 21 HH12 ARG 21 2.666 -3.488 -11.887
154 HH21 ARG 21 HH22 ARG 21 2.562 -6.887 -11.203
155 HH22 ARG 21 HH21 ARG 21 3.189 -5.659 -12.250
156 H ALA 22 H ALA 22 1.449 -3.676 -3.690
157 HA ALA 22 HA ALA 22 -0.982 -3.443 -2.021
158 HB1 ALA 22 HB1 ALA 22 1.812 -2.327 -2.037
159 HB2 ALA 22 HB2 ALA 22 1.034 -3.333 -0.815
160 HB3 ALA 22 HB3 ALA 22 0.580 -1.637 -0.982
161 H GLU 23 H GLU 23 -2.312 -1.619 -2.007
162 HA GLU 23 HA GLU 23 -1.743 0.549 -3.985
163 HB2 GLU 23 HB3 GLU 23 -4.205 -1.214 -3.806
164 HB3 GLU 23 HB2 GLU 23 -4.131 0.262 -4.768
165 HG2 GLU 23 HG3 GLU 23 -2.188 -0.676 -6.007
166 HG3 GLU 23 HG2 GLU 23 -2.357 -2.174 -5.091
167 H GLN 24 H GLN 24 -3.261 2.424 -3.633
168 HA GLN 24 HA GLN 24 -3.587 2.957 -0.785
169 HB2 GLN 24 HB3 GLN 24 -4.218 5.197 -1.621
170 HB3 GLN 24 HB2 GLN 24 -2.751 4.625 -2.408
171 HG2 GLN 24 HG3 GLN 24 -4.706 3.635 -4.073
172 HG3 GLN 24 HG2 GLN 24 -5.404 5.170 -3.560
173 HE21 GLN 24 HE22 GLN 24 -3.695 7.080 -3.644
174 HE22 GLN 24 HE21 GLN 24 -2.696 7.109 -5.016
175 H VAL 25 H VAL 25 -5.433 2.414 0.312
176 HA VAL 25 HA VAL 25 -7.976 2.181 -1.256
177 HB VAL 25 HB VAL 25 -8.493 0.756 0.929
178 HG11 VAL 25 HG11 VAL 25 -7.080 -1.124 -0.428
179 HG12 VAL 25 HG12 VAL 25 -7.202 0.141 -1.651
180 HG13 VAL 25 HG13 VAL 25 -8.664 -0.534 -0.930
181 HG21 VAL 25 HG21 VAL 25 -5.494 0.447 0.667
182 HG22 VAL 25 HG22 VAL 25 -6.549 -0.366 1.822
183 HG23 VAL 25 HG23 VAL 25 -6.273 1.370 1.951
184 HA PRO 26 HA PRO 26 -9.539 5.363 1.338
185 HB2 PRO 26 HB2 PRO 26 -12.220 4.947 1.014
186 HB3 PRO 26 HB3 PRO 26 -11.198 5.654 -0.252
187 HG2 PRO 26 HG3 PRO 26 -12.279 2.908 -0.011
188 HG3 PRO 26 HG2 PRO 26 -11.962 3.877 -1.456
189 HD2 PRO 26 HD3 PRO 26 -10.345 1.832 -0.515
190 HD3 PRO 26 HD2 PRO 26 -9.836 3.109 -1.640
191 H VAL 27 H VAL 27 -9.361 5.134 3.540
192 HA VAL 27 HA VAL 27 -11.076 3.066 4.879
193 HB VAL 27 HB VAL 27 -8.253 3.960 5.552
194 HG11 VAL 27 HG11 VAL 27 -9.068 3.258 7.599
195 HG12 VAL 27 HG12 VAL 27 -8.556 1.706 6.935
196 HG13 VAL 27 HG13 VAL 27 -10.255 2.174 6.872
197 HG21 VAL 27 HG21 VAL 27 -9.394 1.683 3.977
198 HG22 VAL 27 HG22 VAL 27 -7.971 1.374 4.973
199 HG23 VAL 27 HG23 VAL 27 -7.912 2.600 3.706
200 H GLU 28 H GLU 28 -11.136 6.177 4.401
201 HA GLU 28 HA GLU 28 -12.323 6.854 6.944
202 HB2 GLU 28 HB3 GLU 28 -9.457 7.276 6.467
203 HB3 GLU 28 HB2 GLU 28 -10.293 8.745 6.968
204 HG2 GLU 28 HG3 GLU 28 -11.156 6.447 8.535
205 HG3 GLU 28 HG2 GLU 28 -9.411 6.683 8.644
206 H GLY 29 H GLY 29 -13.988 8.069 6.109
207 HA2 GLY 29 HA3 GLY 29 -13.964 9.443 3.634
208 HA3 GLY 29 HA2 GLY 29 -15.089 9.786 4.948
209 H ASN 30 H ASN 30 -13.322 10.642 6.929
210 HA ASN 30 HA ASN 30 -12.255 12.611 7.664
211 HB2 ASN 30 HB3 ASN 30 -10.907 11.506 5.355
212 HB3 ASN 30 HB2 ASN 30 -10.731 13.261 5.366
213 HD21 ASN 30 HD22 ASN 30 -8.691 11.108 6.028
214 HD22 ASN 30 HD21 ASN 30 -8.145 11.494 7.588
215 H ASP 31 H ASP 31 -14.238 13.880 7.616
216 HA ASP 31 HA ASP 31 -15.424 15.189 5.444
217 HB2 ASP 31 HB3 ASP 31 -15.144 15.572 8.363
218 HB3 ASP 31 HB2 ASP 31 -15.608 17.021 7.470
219 HA PRO 32 HA PRO 32 -12.359 18.839 5.929
220 HB2 PRO 32 HB2 PRO 32 -10.179 18.489 7.548
221 HB3 PRO 32 HB3 PRO 32 -11.725 19.130 8.136
222 HG2 PRO 32 HG3 PRO 32 -10.593 16.394 8.387
223 HG3 PRO 32 HG2 PRO 32 -11.537 17.338 9.549
224 HD2 PRO 32 HD3 PRO 32 -12.577 15.328 8.022
225 HD3 PRO 32 HD2 PRO 32 -13.534 16.685 8.653
226 H ILE 33 H ILE 33 -9.506 18.767 5.851
227 HA ILE 33 HA ILE 33 -8.833 17.878 3.333
228 HB ILE 33 HB ILE 33 -7.399 19.185 4.853
229 HG12 ILE 33 HG13 ILE 33 -5.755 16.748 4.302
230 HG13 ILE 33 HG12 ILE 33 -6.538 17.540 2.934
231 HG21 ILE 33 HG21 ILE 33 -6.421 16.742 6.242
232 HG22 ILE 33 HG22 ILE 33 -7.997 17.353 6.747
233 HG23 ILE 33 HG23 ILE 33 -6.576 18.393 6.842
234 HD11 ILE 33 HD11 ILE 33 -4.125 18.301 3.762
235 HD12 ILE 33 HD12 ILE 33 -5.076 19.252 4.902
236 HD13 ILE 33 HD13 ILE 33 -5.296 19.478 3.167
237 H ASN 34 H ASN 34 -9.296 15.883 2.477
238 HA ASN 34 HA ASN 34 -9.098 13.447 4.150
239 HB2 ASN 34 HB3 ASN 34 -10.132 12.416 2.135
240 HB3 ASN 34 HB2 ASN 34 -11.029 13.835 2.673
241 HD21 ASN 34 HD22 ASN 34 -9.522 12.416 -0.042
242 HD22 ASN 34 HD21 ASN 34 -9.486 13.789 -1.038
243 H SER 35 H SER 35 -7.041 12.639 4.342
244 HA SER 35 HA SER 35 -5.558 11.941 1.892
245 HB2 SER 35 HB3 SER 35 -5.078 14.333 3.372
246 HB3 SER 35 HB2 SER 35 -3.701 13.262 3.605
247 HG SER 35 HG SER 35 -3.224 13.417 1.543
248 H ALA 36 H ALA 36 -6.772 10.720 4.464
249 HA ALA 36 HA ALA 36 -4.366 9.527 5.694
250 HB1 ALA 36 HB1 ALA 36 -6.283 10.494 7.012
251 HB2 ALA 36 HB2 ALA 36 -5.936 8.809 7.401
252 HB3 ALA 36 HB3 ALA 36 -7.302 9.212 6.361
253 H TYR 37 H TYR 37 -4.783 8.728 3.029
254 HA TYR 37 HA TYR 37 -6.060 6.034 3.203
255 HB2 TYR 37 HB3 TYR 37 -5.056 7.644 0.831
256 HB3 TYR 37 HB2 TYR 37 -6.043 6.185 0.754
257 HD1 TYR 37 HD1 TYR 37 -8.196 6.367 2.464
258 HD2 TYR 37 HD2 TYR 37 -6.217 9.630 0.492
259 HE1 TYR 37 HE1 TYR 37 -10.245 7.746 2.690
260 HE2 TYR 37 HE2 TYR 37 -8.266 11.009 0.717
261 HH TYR 37 HH TYR 37 -11.076 10.078 1.070
262 H HIS 38 H HIS 38 -4.385 4.843 4.231
263 HA HIS 38 HA HIS 38 -1.604 5.002 3.469
264 HB2 HIS 38 HB3 HIS 38 -1.497 2.951 4.891
265 HB3 HIS 38 HB2 HIS 38 -2.364 4.265 5.665
266 HD1 HIS 38 HD1 HIS 38 -2.977 1.006 3.837
267 HD2 HIS 38 HD2 HIS 38 -5.055 3.713 6.232
268 HE1 HIS 38 HE1 HIS 38 -5.204 -0.076 4.374
269 H TYR 39 H TYR 39 -0.846 2.365 3.201
270 HA TYR 39 HA TYR 39 -2.101 1.481 0.617
271 HB2 TYR 39 HB3 TYR 39 0.687 2.162 1.425
272 HB3 TYR 39 HB2 TYR 39 0.509 0.742 0.399
273 HD1 TYR 39 HD1 TYR 39 -0.387 4.359 0.658
274 HD2 TYR 39 HD2 TYR 39 0.124 0.960 -1.921
275 HE1 TYR 39 HE1 TYR 39 -0.631 5.825 -1.327
276 HE2 TYR 39 HE2 TYR 39 -0.122 2.428 -3.904
277 HH TYR 39 HH TYR 39 -1.247 5.649 -3.678
278 H ARG 40 H ARG 40 -2.348 -0.785 0.446
279 HA ARG 40 HA ARG 40 -1.198 -2.463 2.644
280 HB2 ARG 40 HB3 ARG 40 -3.506 -3.636 2.547
281 HB3 ARG 40 HB2 ARG 40 -3.428 -2.066 3.345
282 HG2 ARG 40 HG3 ARG 40 -4.610 -1.011 1.694
283 HG3 ARG 40 HG2 ARG 40 -3.957 -2.039 0.420
284 HD2 ARG 40 HD3 ARG 40 -5.436 -3.818 1.982
285 HD3 ARG 40 HD2 ARG 40 -6.437 -2.353 1.940
286 HE ARG 40 HE ARG 40 -5.308 -2.989 -0.666
287 HH11 ARG 40 HH11 ARG 40 -7.257 -4.873 1.267
288 HH12 ARG 40 HH12 ARG 40 -8.632 -4.866 0.214
289 HH21 ARG 40 HH22 ARG 40 -7.332 -2.448 -1.906
290 HH22 ARG 40 HH21 ARG 40 -8.676 -3.492 -1.581
291 H CYS 41 H CYS 41 -0.301 -4.340 1.877
292 HA CYS 41 HA CYS 41 -0.287 -4.869 -1.003
293 HB2 CYS 41 HB3 CYS 41 1.611 -5.091 0.740
294 HB3 CYS 41 HB2 CYS 41 0.831 -6.601 1.211
295 H VAL 42 H VAL 42 -1.837 -6.088 -1.993
296 HA VAL 42 HA VAL 42 -3.342 -8.100 -0.374
297 HB VAL 42 HB VAL 42 -5.088 -7.654 -2.128
298 HG11 VAL 42 HG11 VAL 42 -4.105 -5.191 -0.674
299 HG12 VAL 42 HG12 VAL 42 -5.044 -6.484 0.073
300 HG13 VAL 42 HG13 VAL 42 -5.758 -5.503 -1.207
301 HG21 VAL 42 HG21 VAL 42 -4.828 -5.894 -3.703
302 HG22 VAL 42 HG22 VAL 42 -3.323 -6.809 -3.793
303 HG23 VAL 42 HG23 VAL 42 -3.380 -5.291 -2.898
304 H CYS 43 H CYS 43 -4.022 -10.053 -1.621
305 HA CYS 43 HA CYS 43 -1.975 -10.831 -3.628
306 HB2 CYS 43 HB3 CYS 43 -2.119 -12.072 -1.472
307 HB3 CYS 43 HB2 CYS 43 -3.774 -12.511 -1.863
308 H HIS 44 H HIS 44 -2.669 -11.095 -5.706
309 HA HIS 44 HA HIS 44 -5.508 -11.896 -6.196
310 HB2 HIS 44 HB3 HIS 44 -3.978 -9.637 -7.524
311 HB3 HIS 44 HB2 HIS 44 -5.596 -10.165 -7.976
312 HD1 HIS 44 HD1 HIS 44 -7.527 -9.241 -6.654
313 HD2 HIS 44 HD2 HIS 44 -3.867 -8.540 -4.784
314 HE1 HIS 44 HE1 HIS 44 -8.010 -7.736 -4.676
315 H ARG 45 H ARG 45 -5.691 -12.437 -8.668
316 HA ARG 45 HA ARG 45 -3.210 -13.806 -9.559
317 HB2 ARG 45 HB3 ARG 45 -5.049 -15.236 -8.579
318 HB3 ARG 45 HB2 ARG 45 -6.074 -14.714 -9.919
319 HG2 ARG 45 HG3 ARG 45 -3.908 -15.482 -11.314
320 HG3 ARG 45 HG2 ARG 45 -3.738 -16.552 -9.923
321 HD2 ARG 45 HD3 ARG 45 -5.260 -17.911 -10.923
322 HD3 ARG 45 HD2 ARG 45 -6.474 -16.661 -10.588
323 HE ARG 45 HE ARG 45 -5.779 -15.620 -12.796
324 HH11 ARG 45 HH22 ARG 45 -3.902 -18.338 -12.423
325 HH12 ARG 45 HH21 ARG 45 -4.346 -19.086 -13.922
326 HH21 ARG 45 HH11 ARG 45 -6.893 -16.831 -14.598
327 HH22 ARG 45 HH12 ARG 45 -6.040 -18.233 -15.153
Start of MODEL 11
1 H1 ILE 1 H1 ILE 1 4.836 12.102 4.136
2 H2 ILE 1 H2 ILE 1 6.299 11.277 3.889
3 H3 ILE 1 H3 ILE 1 5.426 11.049 5.327
4 HA ILE 1 HA ILE 1 5.111 9.148 3.868
5 HB ILE 1 HB ILE 1 2.629 9.276 3.912
6 HG12 ILE 1 HG13 ILE 1 2.543 12.005 4.997
7 HG13 ILE 1 HG12 ILE 1 3.030 11.954 3.304
8 HG21 ILE 1 HG21 ILE 1 3.690 10.763 6.313
9 HG22 ILE 1 HG22 ILE 1 4.116 9.079 6.013
10 HG23 ILE 1 HG23 ILE 1 2.429 9.531 6.253
11 HD11 ILE 1 HD11 ILE 1 0.445 11.130 4.558
12 HD12 ILE 1 HD12 ILE 1 1.001 10.235 3.144
13 HD13 ILE 1 HD13 ILE 1 0.735 11.975 3.038
14 H GLY 2 H GLY 2 2.946 9.058 2.019
15 HA2 GLY 2 HA3 GLY 2 2.570 10.547 -0.128
16 HA3 GLY 2 HA2 GLY 2 4.284 10.209 -0.372
17 H SER 3 H SER 3 1.492 8.221 0.667
18 HA SER 3 HA SER 3 0.770 6.103 -0.086
19 HB2 SER 3 HB3 SER 3 1.932 7.303 -2.621
20 HB3 SER 3 HB2 SER 3 0.896 5.881 -2.580
21 HG SER 3 HG SER 3 0.293 8.541 -1.814
22 H THR 4 H THR 4 1.643 4.027 -1.228
23 HA THR 4 HA THR 4 4.484 3.675 -0.404
24 HB THR 4 HB THR 4 2.487 1.559 -1.106
25 HG1 THR 4 HG1 THR 4 2.731 3.127 1.209
26 HG21 THR 4 HG21 THR 4 4.877 0.940 -0.796
27 HG22 THR 4 HG22 THR 4 3.825 0.202 0.412
28 HG23 THR 4 HG23 THR 4 4.804 1.606 0.835
29 H ALA 5 H ALA 5 5.267 4.676 -2.430
30 HA ALA 5 HA ALA 5 4.670 3.821 -5.054
31 HB1 ALA 5 HB1 ALA 5 6.341 5.594 -3.816
32 HB2 ALA 5 HB2 ALA 5 6.397 5.226 -5.540
33 HB3 ALA 5 HB3 ALA 5 7.495 4.409 -4.428
34 HA PRO 6 HA PRO 6 8.067 0.477 -4.570
35 HB2 PRO 6 HB2 PRO 6 8.867 -0.180 -2.037
36 HB3 PRO 6 HB3 PRO 6 9.663 1.078 -3.002
37 HG2 PRO 6 HG3 PRO 6 7.720 1.346 -0.778
38 HG3 PRO 6 HG2 PRO 6 9.099 2.371 -1.207
39 HD2 PRO 6 HD3 PRO 6 6.474 2.969 -1.762
40 HD3 PRO 6 HD2 PRO 6 7.861 3.633 -2.647
41 H THR 7 H THR 7 6.086 -0.600 -5.136
42 HA THR 7 HA THR 7 3.979 -1.573 -3.699
43 HB THR 7 HB THR 7 4.532 -3.737 -5.197
44 HG1 THR 7 HG1 THR 7 5.805 -2.962 -6.964
45 HG21 THR 7 HG21 THR 7 2.855 -1.736 -5.379
46 HG22 THR 7 HG22 THR 7 3.190 -2.738 -6.791
47 HG23 THR 7 HG23 THR 7 3.978 -1.168 -6.615
48 H CYS 8 H CYS 8 3.610 -3.029 -2.086
49 HA CYS 8 HA CYS 8 5.673 -4.036 -0.431
50 HB2 CYS 8 HB3 CYS 8 2.839 -5.018 -0.921
51 HB3 CYS 8 HB2 CYS 8 3.819 -5.458 0.472
52 H THR 9 H THR 9 7.236 -5.107 -1.780
53 HA THR 9 HA THR 9 7.057 -6.806 -3.870
54 HB THR 9 HB THR 9 8.965 -8.051 -2.829
55 HG1 THR 9 HG1 THR 9 9.062 -8.143 -0.750
56 HG21 THR 9 HG21 THR 9 10.399 -6.221 -2.884
57 HG22 THR 9 HG22 THR 9 9.276 -5.187 -2.000
58 HG23 THR 9 HG23 THR 9 8.984 -5.557 -3.699
59 H TYR 10 H TYR 10 6.188 -8.813 -4.339
60 HA TYR 10 HA TYR 10 4.022 -9.886 -3.020
61 HB2 TYR 10 HB3 TYR 10 4.556 -10.637 -5.205
62 HB3 TYR 10 HB2 TYR 10 6.196 -11.086 -4.746
63 HD1 TYR 10 HD1 TYR 10 6.585 -13.110 -3.315
64 HD2 TYR 10 HD2 TYR 10 2.718 -12.161 -4.930
65 HE1 TYR 10 HE1 TYR 10 5.830 -15.430 -2.873
66 HE2 TYR 10 HE2 TYR 10 1.964 -14.480 -4.486
67 HH TYR 10 HH TYR 10 3.641 -16.929 -4.173
68 H ASN 11 H ASN 11 7.413 -10.387 -2.163
69 HA ASN 11 HA ASN 11 7.175 -12.690 -0.499
70 HB2 ASN 11 HB3 ASN 11 9.002 -10.388 -0.906
71 HB3 ASN 11 HB2 ASN 11 9.109 -11.150 0.681
72 HD21 ASN 11 HD22 ASN 11 9.879 -13.363 0.788
73 HD22 ASN 11 HD21 ASN 11 10.575 -14.138 -0.552
74 H GLU 12 H GLU 12 6.066 -9.432 -0.117
75 HA GLU 12 HA GLU 12 5.972 -9.210 2.699
76 HB2 GLU 12 HB3 GLU 12 4.210 -8.163 0.466
77 HB3 GLU 12 HB2 GLU 12 4.077 -7.609 2.135
78 HG2 GLU 12 HG3 GLU 12 6.673 -7.529 0.577
79 HG3 GLU 12 HG2 GLU 12 5.552 -6.171 0.646
80 H CYS 13 H CYS 13 3.521 -10.453 0.395
81 HA CYS 13 HA CYS 13 1.602 -11.276 2.372
82 HB2 CYS 13 HB3 CYS 13 2.203 -12.405 -0.388
83 HB3 CYS 13 HB2 CYS 13 0.681 -12.566 0.486
84 H ARG 14 H ARG 14 3.941 -13.217 0.479
85 HA ARG 14 HA ARG 14 4.951 -15.297 0.932
86 HB2 ARG 14 HB3 ARG 14 6.043 -13.779 2.526
87 HB3 ARG 14 HB2 ARG 14 4.759 -14.069 3.696
88 HG2 ARG 14 HG3 ARG 14 6.133 -16.469 2.599
89 HG3 ARG 14 HG2 ARG 14 7.063 -15.459 3.707
90 HD2 ARG 14 HD3 ARG 14 4.503 -15.692 4.882
91 HD3 ARG 14 HD2 ARG 14 4.932 -17.322 4.327
92 HE ARG 14 HE ARG 14 7.093 -15.855 5.688
93 HH11 ARG 14 HH11 ARG 14 4.655 -16.412 7.497
94 HH12 ARG 14 HH12 ARG 14 5.139 -17.906 8.225
95 HH21 ARG 14 HH22 ARG 14 7.658 -18.520 5.924
96 HH22 ARG 14 HH21 ARG 14 6.839 -19.100 7.336
97 H GLY 15 H GLY 15 3.422 -16.898 0.505
98 HA2 GLY 15 HA3 GLY 15 2.535 -18.781 2.150
99 HA3 GLY 15 HA2 GLY 15 1.384 -17.514 2.576
100 H CYS 16 H CYS 16 0.119 -16.585 0.723
101 HA CYS 16 HA CYS 16 -1.291 -18.541 -0.738
102 HB2 CYS 16 HB3 CYS 16 -2.099 -16.534 -1.996
103 HB3 CYS 16 HB2 CYS 16 -2.101 -16.288 -0.254
104 H ARG 17 H ARG 17 -1.412 -18.454 -3.266
105 HA ARG 17 HA ARG 17 1.357 -18.366 -4.416
106 HB2 ARG 17 HB3 ARG 17 0.612 -20.662 -3.892
107 HB3 ARG 17 HB2 ARG 17 -0.850 -20.407 -4.845
108 HG2 ARG 17 HG3 ARG 17 0.234 -20.838 -6.776
109 HG3 ARG 17 HG2 ARG 17 1.537 -19.723 -6.365
110 HD2 ARG 17 HD3 ARG 17 1.504 -22.283 -4.847
111 HD3 ARG 17 HD2 ARG 17 1.937 -22.391 -6.564
112 HE ARG 17 HE ARG 17 3.255 -20.344 -4.835
113 HH11 ARG 17 HH22 ARG 17 3.494 -21.765 -7.790
114 HH12 ARG 17 HH21 ARG 17 5.128 -22.316 -7.626
115 HH21 ARG 17 HH11 ARG 17 5.304 -21.620 -4.234
116 HH22 ARG 17 HH12 ARG 17 6.152 -22.234 -5.613
117 H TYR 18 H TYR 18 0.332 -16.128 -5.009
118 HA TYR 18 HA TYR 18 -0.769 -16.355 -7.755
119 HB2 TYR 18 HB3 TYR 18 -2.124 -14.977 -5.416
120 HB3 TYR 18 HB2 TYR 18 -2.600 -14.736 -7.094
121 HD1 TYR 18 HD2 TYR 18 -3.397 -16.680 -8.462
122 HD2 TYR 18 HD1 TYR 18 -2.753 -16.958 -4.225
123 HE1 TYR 18 HE2 TYR 18 -4.763 -18.746 -8.391
124 HE2 TYR 18 HE1 TYR 18 -4.118 -19.025 -4.153
125 HH TYR 18 HH TYR 18 -6.071 -19.992 -5.699
126 H LYS 19 H LYS 19 -1.474 -13.497 -7.753
127 HA LYS 19 HA LYS 19 1.289 -12.374 -7.827
128 HB2 LYS 19 HB3 LYS 19 -1.342 -11.441 -9.027
129 HB3 LYS 19 HB2 LYS 19 0.244 -10.746 -9.363
130 HG2 LYS 19 HG3 LYS 19 0.213 -13.645 -9.744
131 HG3 LYS 19 HG2 LYS 19 -0.961 -12.827 -10.775
132 HD2 LYS 19 HD3 LYS 19 0.706 -11.470 -11.784
133 HD3 LYS 19 HD2 LYS 19 1.886 -11.851 -10.529
134 HE2 LYS 19 HE3 LYS 19 0.840 -14.221 -11.952
135 HE3 LYS 19 HE2 LYS 19 1.797 -13.117 -12.960
136 HZ1 LYS 19 HZ1 LYS 19 3.141 -14.772 -11.679
137 HZ2 LYS 19 HZ2 LYS 19 2.634 -14.004 -10.253
138 HZ3 LYS 19 HZ3 LYS 19 3.561 -13.150 -11.392
139 H CYS 20 H CYS 20 1.851 -10.948 -6.221
140 HA CYS 20 HA CYS 20 -0.301 -9.843 -4.487
141 HB2 CYS 20 HB3 CYS 20 2.640 -10.382 -4.277
142 HB3 CYS 20 HB2 CYS 20 1.912 -9.197 -3.195
143 H ARG 21 H ARG 21 -0.274 -7.582 -3.926
144 HA ARG 21 HA ARG 21 1.447 -5.687 -5.337
145 HB2 ARG 21 HB3 ARG 21 -0.670 -6.734 -6.756
146 HB3 ARG 21 HB2 ARG 21 -1.369 -5.277 -6.056
147 HG2 ARG 21 HG3 ARG 21 0.651 -4.010 -6.898
148 HG3 ARG 21 HG2 ARG 21 1.098 -5.465 -7.790
149 HD2 ARG 21 HD3 ARG 21 -1.389 -5.331 -8.677
150 HD3 ARG 21 HD2 ARG 21 -1.232 -3.622 -8.228
151 HE ARG 21 HE ARG 21 0.870 -4.915 -9.911
152 HH11 ARG 21 HH22 ARG 21 -1.705 -3.922 -11.261
153 HH12 ARG 21 HH21 ARG 21 -1.208 -2.346 -11.780
154 HH21 ARG 21 HH11 ARG 21 1.599 -2.270 -9.744
155 HH22 ARG 21 HH12 ARG 21 0.663 -1.410 -10.921
156 H ALA 22 H ALA 22 1.147 -3.573 -4.487
157 HA ALA 22 HA ALA 22 -0.749 -3.432 -2.174
158 HB1 ALA 22 HB1 ALA 22 0.998 -2.354 -0.964
159 HB2 ALA 22 HB2 ALA 22 1.920 -2.043 -2.435
160 HB3 ALA 22 HB3 ALA 22 1.782 -3.686 -1.813
161 H GLU 23 H GLU 23 -2.145 -1.704 -2.234
162 HA GLU 23 HA GLU 23 -1.458 0.629 -3.975
163 HB2 GLU 23 HB3 GLU 23 -3.768 0.442 -4.925
164 HB3 GLU 23 HB2 GLU 23 -2.764 -0.958 -5.297
165 HG2 GLU 23 HG3 GLU 23 -4.066 -2.361 -4.085
166 HG3 GLU 23 HG2 GLU 23 -4.225 -1.208 -2.759
167 H GLN 24 H GLN 24 -3.091 2.443 -3.604
168 HA GLN 24 HA GLN 24 -3.291 3.074 -0.818
169 HB2 GLN 24 HB3 GLN 24 -3.190 4.520 -3.001
170 HB3 GLN 24 HB2 GLN 24 -4.945 4.346 -2.987
171 HG2 GLN 24 HG3 GLN 24 -5.176 5.506 -0.966
172 HG3 GLN 24 HG2 GLN 24 -3.504 5.206 -0.491
173 HE21 GLN 24 HE22 GLN 24 -2.309 7.107 -0.593
174 HE22 GLN 24 HE21 GLN 24 -2.491 8.315 -1.771
175 H VAL 25 H VAL 25 -5.302 3.418 0.400
176 HA VAL 25 HA VAL 25 -7.466 1.500 -0.402
177 HB VAL 25 HB VAL 25 -6.824 2.593 2.347
178 HG11 VAL 25 HG11 VAL 25 -8.145 0.778 3.145
179 HG12 VAL 25 HG12 VAL 25 -8.128 -0.021 1.573
180 HG13 VAL 25 HG13 VAL 25 -9.058 1.460 1.799
181 HG21 VAL 25 HG21 VAL 25 -4.902 1.404 2.252
182 HG22 VAL 25 HG22 VAL 25 -5.353 0.665 0.716
183 HG23 VAL 25 HG23 VAL 25 -5.911 -0.041 2.232
184 HA PRO 26 HA PRO 26 -9.570 5.528 -0.691
185 HB2 PRO 26 HB2 PRO 26 -11.580 4.644 -2.325
186 HB3 PRO 26 HB3 PRO 26 -9.985 5.126 -2.936
187 HG2 PRO 26 HG3 PRO 26 -11.077 2.404 -2.444
188 HG3 PRO 26 HG2 PRO 26 -10.036 2.983 -3.752
189 HD2 PRO 26 HD3 PRO 26 -9.121 1.564 -1.606
190 HD3 PRO 26 HD2 PRO 26 -8.124 2.713 -2.525
191 H VAL 27 H VAL 27 -10.367 5.605 1.430
192 HA VAL 27 HA VAL 27 -12.953 4.166 1.897
193 HB VAL 27 HB VAL 27 -10.520 4.477 3.681
194 HG11 VAL 27 HG11 VAL 27 -12.221 4.783 5.237
195 HG12 VAL 27 HG12 VAL 27 -12.082 3.024 5.227
196 HG13 VAL 27 HG13 VAL 27 -13.373 3.813 4.321
197 HG21 VAL 27 HG21 VAL 27 -10.129 2.275 3.263
198 HG22 VAL 27 HG22 VAL 27 -11.153 2.524 1.850
199 HG23 VAL 27 HG23 VAL 27 -11.842 1.863 3.331
200 H GLU 28 H GLU 28 -11.018 6.387 3.904
201 HA GLU 28 HA GLU 28 -13.211 7.950 4.794
202 HB2 GLU 28 HB3 GLU 28 -10.906 7.761 5.776
203 HB3 GLU 28 HB2 GLU 28 -10.309 8.765 4.455
204 HG2 GLU 28 HG3 GLU 28 -10.989 10.642 5.494
205 HG3 GLU 28 HG2 GLU 28 -12.624 10.004 5.670
206 H GLY 29 H GLY 29 -14.472 8.514 2.884
207 HA2 GLY 29 HA3 GLY 29 -13.373 9.941 0.655
208 HA3 GLY 29 HA2 GLY 29 -15.082 9.881 1.080
209 H ASN 30 H ASN 30 -15.931 11.833 1.602
210 HA ASN 30 HA ASN 30 -16.100 14.024 2.459
211 HB2 ASN 30 HB3 ASN 30 -14.871 12.593 4.341
212 HB3 ASN 30 HB2 ASN 30 -13.511 13.630 3.912
213 HD21 ASN 30 HD22 ASN 30 -14.940 13.748 6.468
214 HD22 ASN 30 HD21 ASN 30 -15.654 15.286 6.566
215 H ASP 31 H ASP 31 -15.708 15.104 0.509
216 HA ASP 31 HA ASP 31 -13.461 15.456 -1.028
217 HB2 ASP 31 HB3 ASP 31 -15.816 17.056 -0.263
218 HB3 ASP 31 HB2 ASP 31 -14.489 18.000 -0.941
219 HA PRO 32 HA PRO 32 -11.708 18.935 1.748
220 HB2 PRO 32 HB2 PRO 32 -12.800 19.280 4.236
221 HB3 PRO 32 HB3 PRO 32 -13.381 20.139 2.796
222 HG2 PRO 32 HG3 PRO 32 -14.510 17.744 4.157
223 HG3 PRO 32 HG2 PRO 32 -15.343 19.122 3.419
224 HD2 PRO 32 HD3 PRO 32 -15.103 16.696 2.211
225 HD3 PRO 32 HD2 PRO 32 -15.247 18.222 1.314
226 H ILE 33 H ILE 33 -9.949 18.657 3.224
227 HA ILE 33 HA ILE 33 -8.315 17.258 4.203
228 HB ILE 33 HB ILE 33 -9.773 18.260 5.982
229 HG12 ILE 33 HG13 ILE 33 -8.756 15.491 6.658
230 HG13 ILE 33 HG12 ILE 33 -7.720 16.903 6.454
231 HG21 ILE 33 HG21 ILE 33 -11.885 17.225 5.663
232 HG22 ILE 33 HG22 ILE 33 -11.273 16.547 7.170
233 HG23 ILE 33 HG23 ILE 33 -11.188 15.606 5.683
234 HD11 ILE 33 HD11 ILE 33 -9.382 17.994 8.192
235 HD12 ILE 33 HD12 ILE 33 -8.074 16.953 8.753
236 HD13 ILE 33 HD13 ILE 33 -9.712 16.314 8.618
237 H ASN 34 H ASN 34 -9.499 15.880 2.041
238 HA ASN 34 HA ASN 34 -10.255 13.179 2.958
239 HB2 ASN 34 HB3 ASN 34 -11.098 14.605 0.927
240 HB3 ASN 34 HB2 ASN 34 -9.636 14.022 0.134
241 HD21 ASN 34 HD22 ASN 34 -12.386 13.278 -0.619
242 HD22 ASN 34 HD21 ASN 34 -12.514 11.600 -0.395
243 H SER 35 H SER 35 -7.348 14.678 2.878
244 HA SER 35 HA SER 35 -5.607 13.083 1.322
245 HB2 SER 35 HB3 SER 35 -5.502 15.049 3.390
246 HB3 SER 35 HB2 SER 35 -4.364 13.767 3.787
247 HG SER 35 HG SER 35 -3.317 14.105 1.902
248 H ALA 36 H ALA 36 -7.345 12.256 4.219
249 HA ALA 36 HA ALA 36 -5.735 10.297 5.427
250 HB1 ALA 36 HB1 ALA 36 -8.707 10.008 4.962
251 HB2 ALA 36 HB2 ALA 36 -8.058 11.262 6.019
252 HB3 ALA 36 HB3 ALA 36 -7.779 9.561 6.395
253 H TYR 37 H TYR 37 -4.565 9.051 3.867
254 HA TYR 37 HA TYR 37 -6.189 6.945 2.510
255 HB2 TYR 37 HB3 TYR 37 -4.143 8.822 1.300
256 HB3 TYR 37 HB2 TYR 37 -4.620 7.319 0.514
257 HD1 TYR 37 HD1 TYR 37 -7.513 7.184 1.121
258 HD2 TYR 37 HD2 TYR 37 -5.069 10.534 -0.008
259 HE1 TYR 37 HE1 TYR 37 -9.502 8.317 0.172
260 HE2 TYR 37 HE2 TYR 37 -7.059 11.666 -0.956
261 HH TYR 37 HH TYR 37 -10.291 10.395 -0.502
262 H HIS 38 H HIS 38 -5.222 4.934 2.742
263 HA HIS 38 HA HIS 38 -2.363 4.876 3.628
264 HB2 HIS 38 HB3 HIS 38 -3.410 2.616 4.682
265 HB3 HIS 38 HB2 HIS 38 -3.371 4.140 5.555
266 HD1 HIS 38 HD1 HIS 38 -5.647 1.562 4.387
267 HD2 HIS 38 HD2 HIS 38 -5.951 5.643 5.182
268 HE1 HIS 38 HE1 HIS 38 -8.117 2.060 4.654
269 H TYR 39 H TYR 39 -1.401 2.623 3.209
270 HA TYR 39 HA TYR 39 -2.416 1.567 0.587
271 HB2 TYR 39 HB3 TYR 39 0.193 2.511 1.578
272 HB3 TYR 39 HB2 TYR 39 0.279 0.954 0.757
273 HD1 TYR 39 HD2 TYR 39 -1.244 4.361 0.361
274 HD2 TYR 39 HD1 TYR 39 0.420 0.905 -1.577
275 HE1 TYR 39 HE2 TYR 39 -1.417 5.506 -1.831
276 HE2 TYR 39 HE1 TYR 39 0.248 2.052 -3.768
277 HH TYR 39 HH TYR 39 -1.325 4.010 -4.699
278 H ARG 40 H ARG 40 -2.470 -0.710 0.385
279 HA ARG 40 HA ARG 40 -1.576 -2.310 2.751
280 HB2 ARG 40 HB3 ARG 40 -3.776 -3.596 2.359
281 HB3 ARG 40 HB2 ARG 40 -3.912 -1.998 3.088
282 HG2 ARG 40 HG3 ARG 40 -4.419 -1.025 0.882
283 HG3 ARG 40 HG2 ARG 40 -4.273 -2.617 0.142
284 HD2 ARG 40 HD3 ARG 40 -6.188 -2.189 2.434
285 HD3 ARG 40 HD2 ARG 40 -6.665 -1.791 0.771
286 HE ARG 40 HE ARG 40 -5.950 -4.178 0.198
287 HH11 ARG 40 HH11 ARG 40 -8.462 -3.758 2.046
288 HH12 ARG 40 HH12 ARG 40 -8.250 -5.101 3.119
289 HH21 ARG 40 HH22 ARG 40 -4.972 -5.694 2.158
290 HH22 ARG 40 HH21 ARG 40 -6.274 -6.197 3.183
291 H CYS 41 H CYS 41 -0.866 -4.416 2.218
292 HA CYS 41 HA CYS 41 -0.191 -4.847 -0.623
293 HB2 CYS 41 HB3 CYS 41 0.501 -6.756 1.585
294 HB3 CYS 41 HB2 CYS 41 1.482 -6.211 0.238
295 H VAL 42 H VAL 42 -1.586 -6.065 -1.880
296 HA VAL 42 HA VAL 42 -3.341 -8.052 -0.500
297 HB VAL 42 HB VAL 42 -4.858 -7.545 -2.406
298 HG11 VAL 42 HG11 VAL 42 -5.002 -4.954 -1.730
299 HG12 VAL 42 HG12 VAL 42 -3.910 -5.506 -0.461
300 HG13 VAL 42 HG13 VAL 42 -5.505 -6.237 -0.630
301 HG21 VAL 42 HG21 VAL 42 -3.169 -5.177 -3.094
302 HG22 VAL 42 HG22 VAL 42 -4.331 -6.047 -4.095
303 HG23 VAL 42 HG23 VAL 42 -2.738 -6.739 -3.788
304 H CYS 43 H CYS 43 -3.750 -10.040 -1.666
305 HA CYS 43 HA CYS 43 -1.686 -10.717 -3.694
306 HB2 CYS 43 HB3 CYS 43 -1.475 -11.783 -1.456
307 HB3 CYS 43 HB2 CYS 43 -3.084 -12.471 -1.663
308 H HIS 44 H HIS 44 -2.879 -10.456 -5.613
309 HA HIS 44 HA HIS 44 -5.419 -12.046 -5.812
310 HB2 HIS 44 HB3 HIS 44 -4.579 -9.535 -7.296
311 HB3 HIS 44 HB2 HIS 44 -6.141 -10.340 -7.425
312 HD1 HIS 44 HD1 HIS 44 -5.679 -7.368 -6.333
313 HD2 HIS 44 HD2 HIS 44 -6.307 -10.763 -3.998
314 HE1 HIS 44 HE1 HIS 44 -6.573 -6.552 -4.108
315 H ARG 45 H ARG 45 -5.828 -12.593 -8.248
316 HA ARG 45 HA ARG 45 -3.463 -13.996 -9.244
317 HB2 ARG 45 HB3 ARG 45 -5.899 -14.815 -9.094
318 HB3 ARG 45 HB2 ARG 45 -6.199 -13.802 -10.506
319 HG2 ARG 45 HG3 ARG 45 -5.010 -15.168 -11.908
320 HG3 ARG 45 HG2 ARG 45 -3.835 -15.594 -10.663
321 HD2 ARG 45 HD3 ARG 45 -4.938 -17.602 -10.639
322 HD3 ARG 45 HD2 ARG 45 -6.146 -16.732 -9.672
323 HE ARG 45 HE ARG 45 -7.151 -16.104 -11.987
324 HH11 ARG 45 HH22 ARG 45 -7.155 -19.068 -10.720
325 HH12 ARG 45 HH21 ARG 45 -7.146 -19.965 -12.202
326 HH21 ARG 45 HH11 ARG 45 -6.376 -17.216 -14.170
327 HH22 ARG 45 HH12 ARG 45 -6.705 -18.916 -14.155
Start of MODEL 12
1 H1 ILE 1 H1 ILE 1 2.375 12.080 -3.639
2 H2 ILE 1 H2 ILE 1 3.647 10.957 -3.593
3 H3 ILE 1 H3 ILE 1 3.745 12.310 -4.612
4 HA ILE 1 HA ILE 1 5.121 12.567 -2.591
5 HB ILE 1 HB ILE 1 4.164 14.829 -2.107
6 HG12 ILE 1 HG13 ILE 1 1.962 14.400 -4.053
7 HG13 ILE 1 HG12 ILE 1 1.736 13.662 -2.468
8 HG21 ILE 1 HG21 ILE 1 3.741 14.453 -5.035
9 HG22 ILE 1 HG22 ILE 1 5.310 13.990 -4.379
10 HG23 ILE 1 HG23 ILE 1 4.727 15.643 -4.186
11 HD11 ILE 1 HD11 ILE 1 0.991 16.165 -2.894
12 HD12 ILE 1 HD12 ILE 1 2.700 16.495 -2.609
13 HD13 ILE 1 HD13 ILE 1 1.735 15.705 -1.363
14 H GLY 2 H GLY 2 3.646 10.411 -1.637
15 HA2 GLY 2 HA3 GLY 2 3.502 10.722 1.097
16 HA3 GLY 2 HA2 GLY 2 1.899 11.223 0.554
17 H SER 3 H SER 3 1.750 9.397 -1.682
18 HA SER 3 HA SER 3 0.700 7.066 -0.351
19 HB2 SER 3 HB3 SER 3 0.547 6.279 -2.771
20 HB3 SER 3 HB2 SER 3 -0.211 7.834 -2.441
21 HG SER 3 HG SER 3 1.051 8.136 -4.217
22 H THR 4 H THR 4 1.495 4.803 -1.378
23 HA THR 4 HA THR 4 4.419 4.639 -0.798
24 HB THR 4 HB THR 4 2.475 2.370 -0.923
25 HG1 THR 4 HG1 THR 4 1.511 3.818 0.448
26 HG21 THR 4 HG21 THR 4 4.053 1.208 0.285
27 HG22 THR 4 HG22 THR 4 4.650 2.659 1.090
28 HG23 THR 4 HG23 THR 4 5.114 2.322 -0.578
29 H ALA 5 H ALA 5 5.027 5.246 -3.008
30 HA ALA 5 HA ALA 5 4.145 4.058 -5.404
31 HB1 ALA 5 HB1 ALA 5 6.856 4.468 -5.745
32 HB2 ALA 5 HB2 ALA 5 6.483 5.499 -4.363
33 HB3 ALA 5 HB3 ALA 5 5.619 5.717 -5.885
34 HA PRO 6 HA PRO 6 7.370 0.595 -4.790
35 HB2 PRO 6 HB2 PRO 6 8.593 0.351 -2.359
36 HB3 PRO 6 HB3 PRO 6 9.236 1.370 -3.660
37 HG2 PRO 6 HG3 PRO 6 7.788 2.139 -1.199
38 HG3 PRO 6 HG2 PRO 6 9.036 3.011 -2.100
39 HD2 PRO 6 HD3 PRO 6 6.309 3.534 -2.188
40 HD3 PRO 6 HD2 PRO 6 7.505 4.086 -3.378
41 H THR 7 H THR 7 5.788 -0.969 -4.762
42 HA THR 7 HA THR 7 3.751 -1.377 -2.879
43 HB THR 7 HB THR 7 3.886 -3.769 -3.800
44 HG1 THR 7 HG1 THR 7 5.518 -4.247 -5.072
45 HG21 THR 7 HG21 THR 7 3.282 -3.004 -6.082
46 HG22 THR 7 HG22 THR 7 3.909 -1.405 -5.686
47 HG23 THR 7 HG23 THR 7 2.507 -2.040 -4.825
48 H CYS 8 H CYS 8 3.705 -3.622 -1.573
49 HA CYS 8 HA CYS 8 5.789 -3.388 0.446
50 HB2 CYS 8 HB3 CYS 8 3.415 -5.245 0.119
51 HB3 CYS 8 HB2 CYS 8 4.384 -5.100 1.585
52 H THR 9 H THR 9 5.928 -4.716 -2.474
53 HA THR 9 HA THR 9 7.302 -6.334 -3.467
54 HB THR 9 HB THR 9 9.211 -6.988 -2.259
55 HG1 THR 9 HG1 THR 9 8.761 -8.043 -0.517
56 HG21 THR 9 HG21 THR 9 9.994 -4.995 -1.453
57 HG22 THR 9 HG22 THR 9 8.601 -4.754 -0.399
58 HG23 THR 9 HG23 THR 9 8.476 -4.395 -2.121
59 H TYR 10 H TYR 10 6.428 -8.191 -4.145
60 HA TYR 10 HA TYR 10 4.276 -9.560 -3.286
61 HB2 TYR 10 HB3 TYR 10 5.354 -10.170 -5.309
62 HB3 TYR 10 HB2 TYR 10 6.869 -10.546 -4.490
63 HD1 TYR 10 HD1 TYR 10 7.118 -12.620 -3.182
64 HD2 TYR 10 HD2 TYR 10 3.512 -11.753 -5.348
65 HE1 TYR 10 HE1 TYR 10 6.413 -14.987 -2.955
66 HE2 TYR 10 HE2 TYR 10 2.807 -14.118 -5.121
67 HH TYR 10 HH TYR 10 4.407 -16.481 -4.706
68 H ASN 11 H ASN 11 7.445 -9.890 -1.674
69 HA ASN 11 HA ASN 11 6.886 -12.267 -0.201
70 HB2 ASN 11 HB3 ASN 11 8.543 -9.785 0.351
71 HB3 ASN 11 HB2 ASN 11 8.568 -11.192 1.411
72 HD21 ASN 11 HD22 ASN 11 10.638 -9.981 -0.586
73 HD22 ASN 11 HD21 ASN 11 11.131 -11.326 -1.497
74 H GLU 12 H GLU 12 5.697 -9.027 0.052
75 HA GLU 12 HA GLU 12 4.874 -8.850 2.719
76 HB2 GLU 12 HB3 GLU 12 2.998 -7.442 1.694
77 HB3 GLU 12 HB2 GLU 12 4.630 -6.999 1.200
78 HG2 GLU 12 HG3 GLU 12 3.824 -7.146 -0.922
79 HG3 GLU 12 HG2 GLU 12 3.967 -8.891 -0.690
80 H CYS 13 H CYS 13 3.555 -10.705 0.051
81 HA CYS 13 HA CYS 13 1.276 -11.676 1.695
82 HB2 CYS 13 HB3 CYS 13 0.337 -12.226 -0.400
83 HB3 CYS 13 HB2 CYS 13 1.248 -10.758 -0.738
84 H ARG 14 H ARG 14 4.236 -12.538 1.998
85 HA ARG 14 HA ARG 14 4.827 -15.060 0.977
86 HB2 ARG 14 HB3 ARG 14 5.824 -13.374 2.884
87 HB3 ARG 14 HB2 ARG 14 5.311 -14.736 3.874
88 HG2 ARG 14 HG3 ARG 14 7.213 -15.779 3.270
89 HG3 ARG 14 HG2 ARG 14 6.555 -15.883 1.640
90 HD2 ARG 14 HD3 ARG 14 7.574 -13.754 1.029
91 HD3 ARG 14 HD2 ARG 14 8.141 -13.516 2.693
92 HE ARG 14 HE ARG 14 9.052 -16.065 1.816
93 HH11 ARG 14 HH11 ARG 14 10.314 -13.203 2.669
94 HH12 ARG 14 HH12 ARG 14 11.580 -13.146 1.489
95 HH21 ARG 14 HH22 ARG 14 10.326 -15.792 -0.369
96 HH22 ARG 14 HH21 ARG 14 11.587 -14.614 -0.232
97 H GLY 15 H GLY 15 3.246 -16.627 0.769
98 HA2 GLY 15 HA3 GLY 15 2.547 -18.483 2.593
99 HA3 GLY 15 HA2 GLY 15 1.415 -17.197 3.013
100 H CYS 16 H CYS 16 0.381 -16.221 0.836
101 HA CYS 16 HA CYS 16 -1.292 -18.260 -0.268
102 HB2 CYS 16 HB3 CYS 16 -2.044 -16.376 -1.695
103 HB3 CYS 16 HB2 CYS 16 -1.880 -15.882 -0.015
104 H ARG 17 H ARG 17 -1.333 -17.634 -3.041
105 HA ARG 17 HA ARG 17 1.355 -18.216 -4.121
106 HB2 ARG 17 HB3 ARG 17 0.483 -20.376 -3.338
107 HB3 ARG 17 HB2 ARG 17 -1.005 -20.122 -4.252
108 HG2 ARG 17 HG3 ARG 17 -0.020 -20.613 -6.253
109 HG3 ARG 17 HG2 ARG 17 1.523 -19.896 -5.788
110 HD2 ARG 17 HD3 ARG 17 2.342 -21.899 -5.083
111 HD3 ARG 17 HD2 ARG 17 0.852 -22.273 -4.194
112 HE ARG 17 HE ARG 17 0.873 -22.486 -7.171
113 HH11 ARG 17 HH11 ARG 17 2.031 -24.707 -5.264
114 HH12 ARG 17 HH12 ARG 17 0.695 -25.808 -5.269
115 HH21 ARG 17 HH22 ARG 17 -1.521 -23.527 -6.650
116 HH22 ARG 17 HH21 ARG 17 -1.317 -25.140 -6.053
117 H TYR 18 H TYR 18 0.154 -15.928 -4.787
118 HA TYR 18 HA TYR 18 -0.719 -16.361 -7.592
119 HB2 TYR 18 HB3 TYR 18 -2.337 -14.902 -5.479
120 HB3 TYR 18 HB2 TYR 18 -2.725 -14.926 -7.196
121 HD1 TYR 18 HD2 TYR 18 -2.858 -17.320 -8.298
122 HD2 TYR 18 HD1 TYR 18 -3.274 -16.539 -4.094
123 HE1 TYR 18 HE2 TYR 18 -4.041 -19.478 -8.016
124 HE2 TYR 18 HE1 TYR 18 -4.458 -18.698 -3.813
125 HH TYR 18 HH TYR 18 -4.352 -21.078 -5.421
126 H LYS 19 H LYS 19 -1.595 -13.636 -7.920
127 HA LYS 19 HA LYS 19 1.012 -12.286 -8.068
128 HB2 LYS 19 HB3 LYS 19 -1.791 -11.337 -8.764
129 HB3 LYS 19 HB2 LYS 19 -0.277 -10.647 -9.344
130 HG2 LYS 19 HG3 LYS 19 -0.444 -13.527 -9.848
131 HG3 LYS 19 HG2 LYS 19 -1.752 -12.634 -10.621
132 HD2 LYS 19 HD3 LYS 19 -0.183 -11.171 -11.739
133 HD3 LYS 19 HD2 LYS 19 1.169 -11.862 -10.841
134 HE2 LYS 19 HE3 LYS 19 0.089 -14.120 -11.958
135 HE3 LYS 19 HE2 LYS 19 -0.228 -12.916 -13.225
136 HZ1 LYS 19 HZ1 LYS 19 2.373 -13.500 -11.915
137 HZ2 LYS 19 HZ2 LYS 19 2.109 -12.157 -12.916
138 HZ3 LYS 19 HZ3 LYS 19 1.974 -13.727 -13.550
139 H CYS 20 H CYS 20 1.567 -10.400 -6.859
140 HA CYS 20 HA CYS 20 -0.368 -9.603 -4.711
141 HB2 CYS 20 HB3 CYS 20 2.609 -10.114 -4.425
142 HB3 CYS 20 HB2 CYS 20 1.500 -9.673 -3.127
143 H ARG 21 H ARG 21 -0.270 -7.423 -4.096
144 HA ARG 21 HA ARG 21 1.827 -5.609 -5.026
145 HB2 ARG 21 HB3 ARG 21 -0.171 -6.312 -6.834
146 HB3 ARG 21 HB2 ARG 21 -0.732 -4.785 -6.159
147 HG2 ARG 21 HG3 ARG 21 0.641 -4.257 -8.067
148 HG3 ARG 21 HG2 ARG 21 1.553 -3.826 -6.620
149 HD2 ARG 21 HD3 ARG 21 2.829 -5.912 -6.751
150 HD3 ARG 21 HD2 ARG 21 1.865 -6.438 -8.146
151 HE ARG 21 HE ARG 21 4.028 -4.521 -8.243
152 HH11 ARG 21 HH11 ARG 21 1.876 -2.709 -9.025
153 HH12 ARG 21 HH12 ARG 21 1.688 -3.007 -10.721
154 HH21 ARG 21 HH22 ARG 21 3.379 -6.035 -10.642
155 HH22 ARG 21 HH21 ARG 21 2.538 -4.892 -11.636
156 H ALA 22 H ALA 22 1.631 -3.589 -3.993
157 HA ALA 22 HA ALA 22 -0.523 -3.460 -1.930
158 HB1 ALA 22 HB1 ALA 22 2.290 -2.357 -2.125
159 HB2 ALA 22 HB2 ALA 22 1.717 -3.628 -1.046
160 HB3 ALA 22 HB3 ALA 22 1.190 -1.962 -0.805
161 H GLU 23 H GLU 23 -2.052 -1.904 -2.244
162 HA GLU 23 HA GLU 23 -1.303 0.549 -3.791
163 HB2 GLU 23 HB3 GLU 23 -3.447 0.286 -5.009
164 HB3 GLU 23 HB2 GLU 23 -2.405 -1.116 -5.243
165 HG2 GLU 23 HG3 GLU 23 -4.117 -2.396 -4.528
166 HG3 GLU 23 HG2 GLU 23 -3.869 -1.704 -2.925
167 H GLN 24 H GLN 24 -3.061 2.262 -3.518
168 HA GLN 24 HA GLN 24 -3.605 2.696 -0.720
169 HB2 GLN 24 HB3 GLN 24 -3.262 4.245 -2.895
170 HB3 GLN 24 HB2 GLN 24 -5.025 4.211 -2.858
171 HG2 GLN 24 HG3 GLN 24 -3.756 4.664 -0.230
172 HG3 GLN 24 HG2 GLN 24 -3.487 5.952 -1.405
173 HE21 GLN 24 HE22 GLN 24 -5.600 6.690 -2.586
174 HE22 GLN 24 HE21 GLN 24 -7.009 6.762 -1.642
175 H VAL 25 H VAL 25 -5.633 2.587 0.353
176 HA VAL 25 HA VAL 25 -7.895 1.393 -1.203
177 HB VAL 25 HB VAL 25 -6.664 -0.338 0.044
178 HG11 VAL 25 HG11 VAL 25 -6.217 -0.224 2.345
179 HG12 VAL 25 HG12 VAL 25 -7.432 1.023 2.617
180 HG13 VAL 25 HG13 VAL 25 -5.915 1.429 1.816
181 HG21 VAL 25 HG21 VAL 25 -8.606 -1.015 1.609
182 HG22 VAL 25 HG22 VAL 25 -8.981 -0.806 -0.101
183 HG23 VAL 25 HG23 VAL 25 -9.395 0.461 1.053
184 HA PRO 26 HA PRO 26 -9.628 4.968 0.936
185 HB2 PRO 26 HB2 PRO 26 -11.896 5.119 -0.586
186 HB3 PRO 26 HB3 PRO 26 -10.333 5.773 -1.118
187 HG2 PRO 26 HG3 PRO 26 -11.684 3.237 -1.881
188 HG3 PRO 26 HG2 PRO 26 -10.712 4.341 -2.866
189 HD2 PRO 26 HD3 PRO 26 -9.782 1.975 -1.845
190 HD3 PRO 26 HD2 PRO 26 -8.745 3.359 -2.253
191 H VAL 27 H VAL 27 -9.962 3.600 2.827
192 HA VAL 27 HA VAL 27 -12.278 1.833 3.000
193 HB VAL 27 HB VAL 27 -10.420 3.053 5.069
194 HG11 VAL 27 HG11 VAL 27 -11.194 0.834 6.252
195 HG12 VAL 27 HG12 VAL 27 -12.595 0.991 5.190
196 HG13 VAL 27 HG13 VAL 27 -12.209 2.274 6.338
197 HG21 VAL 27 HG21 VAL 27 -10.166 0.859 3.129
198 HG22 VAL 27 HG22 VAL 27 -9.816 0.366 4.787
199 HG23 VAL 27 HG23 VAL 27 -8.914 1.691 4.053
200 H GLU 28 H GLU 28 -11.640 5.221 3.541
201 HA GLU 28 HA GLU 28 -14.438 5.835 3.895
202 HB2 GLU 28 HB3 GLU 28 -13.538 4.803 6.115
203 HB3 GLU 28 HB2 GLU 28 -12.709 6.347 6.312
204 HG2 GLU 28 HG3 GLU 28 -14.652 7.017 7.286
205 HG3 GLU 28 HG2 GLU 28 -15.228 7.177 5.627
206 H GLY 29 H GLY 29 -14.774 8.163 3.933
207 HA2 GLY 29 HA3 GLY 29 -13.461 10.371 4.301
208 HA3 GLY 29 HA2 GLY 29 -12.339 9.690 3.122
209 H ASN 30 H ASN 30 -15.305 11.375 3.544
210 HA ASN 30 HA ASN 30 -15.467 12.052 0.748
211 HB2 ASN 30 HB3 ASN 30 -16.266 9.754 0.610
212 HB3 ASN 30 HB2 ASN 30 -17.425 10.047 1.905
213 HD21 ASN 30 HD22 ASN 30 -19.499 10.534 1.177
214 HD22 ASN 30 HD21 ASN 30 -19.870 11.213 -0.333
215 H ASP 31 H ASP 31 -18.403 11.544 2.578
216 HA ASP 31 HA ASP 31 -19.184 14.284 2.455
217 HB2 ASP 31 HB3 ASP 31 -20.114 11.735 3.588
218 HB3 ASP 31 HB2 ASP 31 -20.650 13.148 4.496
219 HA PRO 32 HA PRO 32 -17.938 14.610 7.045
220 HB2 PRO 32 HB2 PRO 32 -16.613 12.524 8.213
221 HB3 PRO 32 HB3 PRO 32 -18.384 12.642 8.179
222 HG2 PRO 32 HG3 PRO 32 -16.563 11.004 6.500
223 HG3 PRO 32 HG2 PRO 32 -18.167 10.616 7.140
224 HD2 PRO 32 HD3 PRO 32 -17.682 11.381 4.548
225 HD3 PRO 32 HD2 PRO 32 -19.240 11.580 5.375
226 H ILE 33 H ILE 33 -15.522 14.134 8.336
227 HA ILE 33 HA ILE 33 -13.623 15.599 6.792
228 HB ILE 33 HB ILE 33 -13.694 15.459 9.254
229 HG12 ILE 33 HG13 ILE 33 -11.083 14.170 8.543
230 HG13 ILE 33 HG12 ILE 33 -11.488 15.716 7.797
231 HG21 ILE 33 HG21 ILE 33 -12.410 12.783 9.295
232 HG22 ILE 33 HG22 ILE 33 -14.131 12.803 8.913
233 HG23 ILE 33 HG23 ILE 33 -13.556 13.499 10.427
234 HD11 ILE 33 HD11 ILE 33 -10.218 15.683 10.099
235 HD12 ILE 33 HD12 ILE 33 -11.822 15.377 10.762
236 HD13 ILE 33 HD13 ILE 33 -11.517 16.847 9.838
237 H ASN 34 H ASN 34 -12.478 14.863 5.049
238 HA ASN 34 HA ASN 34 -12.239 11.994 4.479
239 HB2 ASN 34 HB3 ASN 34 -11.129 12.865 2.431
240 HB3 ASN 34 HB2 ASN 34 -12.658 13.689 2.736
241 HD21 ASN 34 HD22 ASN 34 -9.584 14.359 1.766
242 HD22 ASN 34 HD21 ASN 34 -9.411 15.929 2.386
243 H SER 35 H SER 35 -10.481 10.737 5.011
244 HA SER 35 HA SER 35 -7.789 11.823 5.251
245 HB2 SER 35 HB3 SER 35 -9.572 11.941 7.473
246 HB3 SER 35 HB2 SER 35 -8.325 10.757 7.843
247 HG SER 35 HG SER 35 -6.922 12.314 7.968
248 H ALA 36 H ALA 36 -10.005 9.160 6.083
249 HA ALA 36 HA ALA 36 -8.145 7.081 6.498
250 HB1 ALA 36 HB1 ALA 36 -10.340 5.996 5.112
251 HB2 ALA 36 HB2 ALA 36 -10.965 7.445 5.900
252 HB3 ALA 36 HB3 ALA 36 -10.189 6.186 6.859
253 H TYR 37 H TYR 37 -6.380 7.270 4.996
254 HA TYR 37 HA TYR 37 -6.923 6.066 2.343
255 HB2 TYR 37 HB3 TYR 37 -5.706 8.807 2.807
256 HB3 TYR 37 HB2 TYR 37 -5.657 7.963 1.260
257 HD1 TYR 37 HD2 TYR 37 -8.017 7.024 0.443
258 HD2 TYR 37 HD1 TYR 37 -7.477 10.267 3.208
259 HE1 TYR 37 HE2 TYR 37 -10.297 7.849 -0.079
260 HE2 TYR 37 HE1 TYR 37 -9.758 11.091 2.686
261 HH TYR 37 HH TYR 37 -11.388 10.929 0.831
262 H HIS 38 H HIS 38 -5.600 4.295 3.065
263 HA HIS 38 HA HIS 38 -2.697 4.961 3.387
264 HB2 HIS 38 HB3 HIS 38 -2.949 2.648 4.737
265 HB3 HIS 38 HB2 HIS 38 -3.188 4.209 5.511
266 HD1 HIS 38 HD1 HIS 38 -4.918 1.078 4.622
267 HD2 HIS 38 HD2 HIS 38 -6.031 4.935 5.746
268 HE1 HIS 38 HE1 HIS 38 -7.360 0.956 5.282
269 H TYR 39 H TYR 39 -1.377 2.829 2.986
270 HA TYR 39 HA TYR 39 -2.387 1.614 0.445
271 HB2 TYR 39 HB3 TYR 39 0.159 2.599 1.509
272 HB3 TYR 39 HB2 TYR 39 0.313 0.991 0.802
273 HD1 TYR 39 HD2 TYR 39 -1.254 4.328 0.086
274 HD2 TYR 39 HD1 TYR 39 0.604 0.796 -1.507
275 HE1 TYR 39 HE2 TYR 39 -1.318 5.319 -2.187
276 HE2 TYR 39 HE1 TYR 39 0.540 1.789 -3.778
277 HH TYR 39 HH TYR 39 -0.192 5.096 -4.319
278 H ARG 40 H ARG 40 -2.494 -0.657 0.263
279 HA ARG 40 HA ARG 40 -1.712 -2.260 2.669
280 HB2 ARG 40 HB3 ARG 40 -3.923 -3.506 2.190
281 HB3 ARG 40 HB2 ARG 40 -4.055 -1.903 2.911
282 HG2 ARG 40 HG3 ARG 40 -4.708 -0.909 0.872
283 HG3 ARG 40 HG2 ARG 40 -4.115 -2.268 -0.082
284 HD2 ARG 40 HD3 ARG 40 -5.912 -3.640 1.293
285 HD3 ARG 40 HD2 ARG 40 -6.656 -2.041 1.504
286 HE ARG 40 HE ARG 40 -6.033 -2.095 -1.186
287 HH11 ARG 40 HH22 ARG 40 -8.550 -3.017 0.767
288 HH12 ARG 40 HH21 ARG 40 -9.263 -4.134 -0.347
289 HH21 ARG 40 HH11 ARG 40 -6.596 -4.044 -2.559
290 HH22 ARG 40 HH12 ARG 40 -8.159 -4.714 -2.229
291 H CYS 41 H CYS 41 -0.895 -4.314 2.158
292 HA CYS 41 HA CYS 41 -0.245 -4.797 -0.682
293 HB2 CYS 41 HB3 CYS 41 0.575 -6.839 1.260
294 HB3 CYS 41 HB2 CYS 41 1.556 -5.870 0.175
295 H VAL 42 H VAL 42 -1.560 -6.085 -1.927
296 HA VAL 42 HA VAL 42 -3.304 -8.062 -0.514
297 HB VAL 42 HB VAL 42 -4.823 -7.584 -2.457
298 HG11 VAL 42 HG11 VAL 42 -4.117 -5.057 -0.979
299 HG12 VAL 42 HG12 VAL 42 -4.871 -6.426 -0.164
300 HG13 VAL 42 HG13 VAL 42 -5.712 -5.614 -1.484
301 HG21 VAL 42 HG21 VAL 42 -2.665 -6.544 -3.684
302 HG22 VAL 42 HG22 VAL 42 -3.339 -5.067 -2.994
303 HG23 VAL 42 HG23 VAL 42 -4.309 -6.052 -4.088
304 H CYS 43 H CYS 43 -3.692 -10.050 -1.628
305 HA CYS 43 HA CYS 43 -1.689 -10.733 -3.714
306 HB2 CYS 43 HB3 CYS 43 -1.373 -11.790 -1.514
307 HB3 CYS 43 HB2 CYS 43 -3.023 -12.399 -1.561
308 H HIS 44 H HIS 44 -2.999 -10.411 -5.577
309 HA HIS 44 HA HIS 44 -5.582 -11.932 -5.671
310 HB2 HIS 44 HB3 HIS 44 -4.560 -9.629 -7.364
311 HB3 HIS 44 HB2 HIS 44 -6.174 -10.331 -7.443
312 HD1 HIS 44 HD1 HIS 44 -6.478 -10.637 -4.280
313 HD2 HIS 44 HD2 HIS 44 -5.424 -7.146 -6.301
314 HE1 HIS 44 HE1 HIS 44 -7.069 -8.713 -2.744
315 H ARG 45 H ARG 45 -6.039 -12.654 -8.057
316 HA ARG 45 HA ARG 45 -3.691 -14.190 -8.966
317 HB2 ARG 45 HB3 ARG 45 -5.995 -15.151 -8.470
318 HB3 ARG 45 HB2 ARG 45 -6.564 -14.301 -9.908
319 HG2 ARG 45 HG3 ARG 45 -5.174 -15.574 -11.347
320 HG3 ARG 45 HG2 ARG 45 -4.189 -16.164 -10.008
321 HD2 ARG 45 HD3 ARG 45 -5.668 -17.837 -9.501
322 HD3 ARG 45 HD2 ARG 45 -7.081 -16.811 -9.821
323 HE ARG 45 HE ARG 45 -5.938 -17.145 -12.321
324 HH11 ARG 45 HH22 ARG 45 -4.926 -19.777 -11.346
325 HH12 ARG 45 HH21 ARG 45 -6.242 -20.841 -11.720
326 HH21 ARG 45 HH11 ARG 45 -8.540 -18.280 -12.143
327 HH22 ARG 45 HH12 ARG 45 -8.287 -19.993 -12.171
Start of MODEL 13
1 H1 ILE 1 H1 ILE 1 3.854 9.976 -7.699
2 H2 ILE 1 H2 ILE 1 3.787 11.636 -8.051
3 H3 ILE 1 H3 ILE 1 3.045 11.033 -6.648
4 HA ILE 1 HA ILE 1 5.214 12.180 -6.232
5 HB ILE 1 HB ILE 1 5.951 10.294 -4.741
6 HG12 ILE 1 HG13 ILE 1 3.678 8.629 -5.703
7 HG13 ILE 1 HG12 ILE 1 5.124 8.649 -6.713
8 HG21 ILE 1 HG21 ILE 1 3.766 11.814 -4.516
9 HG22 ILE 1 HG22 ILE 1 4.119 10.529 -3.361
10 HG23 ILE 1 HG23 ILE 1 2.967 10.249 -4.666
11 HD11 ILE 1 HD11 ILE 1 5.316 8.209 -3.736
12 HD12 ILE 1 HD12 ILE 1 6.488 7.791 -4.987
13 HD13 ILE 1 HD13 ILE 1 4.993 6.867 -4.835
14 H GLY 2 H GLY 2 5.628 11.709 -8.967
15 HA2 GLY 2 HA3 GLY 2 7.545 11.481 -10.337
16 HA3 GLY 2 HA2 GLY 2 8.420 10.839 -8.946
17 H SER 3 H SER 3 7.742 8.572 -8.269
18 HA SER 3 HA SER 3 7.237 6.928 -10.725
19 HB2 SER 3 HB3 SER 3 8.472 5.192 -9.333
20 HB3 SER 3 HB2 SER 3 9.427 6.604 -9.776
21 HG SER 3 HG SER 3 9.748 6.644 -7.681
22 H THR 4 H THR 4 6.502 4.553 -9.728
23 HA THR 4 HA THR 4 3.805 4.979 -8.750
24 HB THR 4 HB THR 4 5.494 2.517 -9.121
25 HG1 THR 4 HG1 THR 4 5.114 3.772 -10.999
26 HG21 THR 4 HG21 THR 4 2.541 2.888 -8.628
27 HG22 THR 4 HG22 THR 4 3.676 1.916 -7.693
28 HG23 THR 4 HG23 THR 4 3.209 1.409 -9.317
29 H ALA 5 H ALA 5 2.997 3.768 -6.772
30 HA ALA 5 HA ALA 5 4.300 4.607 -4.392
31 HB1 ALA 5 HB1 ALA 5 1.880 3.607 -5.096
32 HB2 ALA 5 HB2 ALA 5 2.430 3.699 -3.423
33 HB3 ALA 5 HB3 ALA 5 2.580 2.187 -4.319
34 HA PRO 6 HA PRO 6 7.310 1.463 -3.716
35 HB2 PRO 6 HB2 PRO 6 7.414 1.436 -0.990
36 HB3 PRO 6 HB3 PRO 6 8.073 2.764 -1.964
37 HG2 PRO 6 HG3 PRO 6 5.546 2.624 -0.421
38 HG3 PRO 6 HG2 PRO 6 6.619 3.999 -0.712
39 HD2 PRO 6 HD3 PRO 6 4.231 3.545 -2.027
40 HD3 PRO 6 HD2 PRO 6 5.548 4.576 -2.628
41 H THR 7 H THR 7 4.144 0.824 -3.427
42 HA THR 7 HA THR 7 2.850 -1.063 -2.848
43 HB THR 7 HB THR 7 3.832 -3.045 -3.677
44 HG1 THR 7 HG1 THR 7 5.985 -3.474 -3.543
45 HG21 THR 7 HG21 THR 7 3.789 -1.149 -5.321
46 HG22 THR 7 HG22 THR 7 4.995 -2.385 -5.682
47 HG23 THR 7 HG23 THR 7 5.488 -0.859 -4.947
48 H CYS 8 H CYS 8 3.549 -3.409 -1.505
49 HA CYS 8 HA CYS 8 4.322 -2.374 1.168
50 HB2 CYS 8 HB3 CYS 8 2.018 -3.491 0.446
51 HB3 CYS 8 HB2 CYS 8 2.929 -4.974 0.700
52 H THR 9 H THR 9 5.992 -3.471 -1.160
53 HA THR 9 HA THR 9 7.914 -4.777 -1.436
54 HB THR 9 HB THR 9 9.189 -5.159 0.534
55 HG1 THR 9 HG1 THR 9 7.737 -6.402 1.679
56 HG21 THR 9 HG21 THR 9 8.102 -2.726 0.081
57 HG22 THR 9 HG22 THR 9 9.248 -3.037 1.385
58 HG23 THR 9 HG23 THR 9 7.518 -3.012 1.720
59 H TYR 10 H TYR 10 7.481 -6.609 -2.510
60 HA TYR 10 HA TYR 10 5.570 -8.464 -2.453
61 HB2 TYR 10 HB3 TYR 10 7.993 -8.284 -3.584
62 HB3 TYR 10 HB2 TYR 10 8.326 -9.606 -2.465
63 HD1 TYR 10 HD1 TYR 10 5.770 -8.495 -4.975
64 HD2 TYR 10 HD2 TYR 10 7.759 -11.792 -3.070
65 HE1 TYR 10 HE1 TYR 10 4.606 -10.076 -6.492
66 HE2 TYR 10 HE2 TYR 10 6.594 -13.371 -4.586
67 HH TYR 10 HH TYR 10 5.049 -12.429 -7.385
68 H ASN 11 H ASN 11 8.049 -8.369 0.110
69 HA ASN 11 HA ASN 11 7.611 -10.905 1.291
70 HB2 ASN 11 HB3 ASN 11 8.254 -8.162 2.424
71 HB3 ASN 11 HB2 ASN 11 8.318 -9.636 3.390
72 HD21 ASN 11 HD22 ASN 11 10.355 -10.583 3.444
73 HD22 ASN 11 HD21 ASN 11 11.533 -10.437 2.232
74 H GLU 12 H GLU 12 5.672 -8.015 1.176
75 HA GLU 12 HA GLU 12 3.961 -8.357 3.368
76 HB2 GLU 12 HB3 GLU 12 2.293 -7.195 1.761
77 HB3 GLU 12 HB2 GLU 12 3.802 -6.360 2.106
78 HG2 GLU 12 HG3 GLU 12 4.182 -6.269 -0.119
79 HG3 GLU 12 HG2 GLU 12 4.350 -8.023 -0.113
80 H CYS 13 H CYS 13 3.525 -9.619 0.054
81 HA CYS 13 HA CYS 13 1.202 -11.230 0.775
82 HB2 CYS 13 HB3 CYS 13 1.607 -10.086 -1.403
83 HB3 CYS 13 HB2 CYS 13 2.981 -11.153 -1.679
84 H ARG 14 H ARG 14 4.405 -11.697 1.500
85 HA ARG 14 HA ARG 14 5.157 -14.249 0.616
86 HB2 ARG 14 HB3 ARG 14 6.363 -12.534 2.095
87 HB3 ARG 14 HB2 ARG 14 5.490 -13.246 3.452
88 HG2 ARG 14 HG3 ARG 14 6.876 -15.140 1.622
89 HG3 ARG 14 HG2 ARG 14 7.903 -14.145 2.655
90 HD2 ARG 14 HD3 ARG 14 5.530 -15.568 3.851
91 HD3 ARG 14 HD2 ARG 14 7.054 -16.439 3.592
92 HE ARG 14 HE ARG 14 7.325 -13.811 4.892
93 HH11 ARG 14 HH11 ARG 14 9.219 -16.200 5.078
94 HH12 ARG 14 HH12 ARG 14 8.940 -16.719 6.706
95 HH21 ARG 14 HH22 ARG 14 6.000 -14.916 7.057
96 HH22 ARG 14 HH21 ARG 14 7.117 -15.991 7.828
97 H GLY 15 H GLY 15 3.612 -15.885 0.530
98 HA2 GLY 15 HA3 GLY 15 3.010 -17.491 2.714
99 HA3 GLY 15 HA2 GLY 15 1.680 -16.334 2.651
100 H CYS 16 H CYS 16 0.665 -16.105 0.387
101 HA CYS 16 HA CYS 16 -0.170 -18.729 -0.526
102 HB2 CYS 16 HB3 CYS 16 -1.552 -17.356 -2.038
103 HB3 CYS 16 HB2 CYS 16 -1.593 -16.699 -0.408
104 H ARG 17 H ARG 17 -0.340 -18.074 -3.368
105 HA ARG 17 HA ARG 17 2.480 -17.864 -4.271
106 HB2 ARG 17 HB3 ARG 17 2.254 -20.044 -5.467
107 HB3 ARG 17 HB2 ARG 17 2.137 -20.230 -3.717
108 HG2 ARG 17 HG3 ARG 17 -0.438 -19.715 -5.073
109 HG3 ARG 17 HG2 ARG 17 0.320 -21.251 -5.491
110 HD2 ARG 17 HD3 ARG 17 0.681 -21.372 -2.838
111 HD3 ARG 17 HD2 ARG 17 -0.759 -20.333 -2.860
112 HE ARG 17 HE ARG 17 -1.648 -22.164 -4.529
113 HH11 ARG 17 HH22 ARG 17 -1.096 -22.416 -1.310
114 HH12 ARG 17 HH21 ARG 17 -0.924 -24.138 -1.254
115 HH21 ARG 17 HH11 ARG 17 -0.765 -24.499 -4.699
116 HH22 ARG 17 HH12 ARG 17 -0.738 -25.317 -3.173
117 H TYR 18 H TYR 18 0.718 -15.912 -4.838
118 HA TYR 18 HA TYR 18 0.054 -16.379 -7.717
119 HB2 TYR 18 HB3 TYR 18 -1.716 -15.157 -5.573
120 HB3 TYR 18 HB2 TYR 18 -2.107 -15.196 -7.290
121 HD1 TYR 18 HD1 TYR 18 -1.877 -17.597 -8.420
122 HD2 TYR 18 HD2 TYR 18 -2.522 -16.891 -4.233
123 HE1 TYR 18 HE1 TYR 18 -2.801 -19.884 -8.178
124 HE2 TYR 18 HE2 TYR 18 -3.445 -19.179 -3.990
125 HH TYR 18 HH TYR 18 -3.335 -21.338 -5.131
126 H LYS 19 H LYS 19 -1.152 -13.759 -7.971
127 HA LYS 19 HA LYS 19 1.248 -12.132 -8.253
128 HB2 LYS 19 HB3 LYS 19 -1.697 -11.442 -8.540
129 HB3 LYS 19 HB2 LYS 19 -0.346 -10.546 -9.232
130 HG2 LYS 19 HG3 LYS 19 -0.342 -13.411 -9.917
131 HG3 LYS 19 HG2 LYS 19 -1.740 -12.533 -10.534
132 HD2 LYS 19 HD3 LYS 19 -0.409 -11.047 -11.786
133 HD3 LYS 19 HD2 LYS 19 1.040 -11.416 -10.852
134 HE2 LYS 19 HE3 LYS 19 0.346 -13.897 -11.872
135 HE3 LYS 19 HE2 LYS 19 -0.044 -12.795 -13.207
136 HZ1 LYS 19 HZ1 LYS 19 2.118 -11.767 -12.969
137 HZ2 LYS 19 HZ2 LYS 19 2.306 -13.432 -13.230
138 HZ3 LYS 19 HZ3 LYS 19 2.500 -12.790 -11.667
139 H CYS 20 H CYS 20 1.767 -10.250 -7.040
140 HA CYS 20 HA CYS 20 0.102 -9.734 -4.598
141 HB2 CYS 20 HB3 CYS 20 3.130 -9.847 -4.730
142 HB3 CYS 20 HB2 CYS 20 2.138 -9.712 -3.281
143 H ARG 21 H ARG 21 -0.238 -7.542 -4.232
144 HA ARG 21 HA ARG 21 1.675 -5.502 -5.097
145 HB2 ARG 21 HB3 ARG 21 -0.414 -6.469 -6.871
146 HB3 ARG 21 HB2 ARG 21 -0.656 -4.761 -6.508
147 HG2 ARG 21 HG3 ARG 21 2.036 -5.860 -7.334
148 HG3 ARG 21 HG2 ARG 21 0.855 -5.287 -8.511
149 HD2 ARG 21 HD3 ARG 21 1.248 -3.398 -6.294
150 HD3 ARG 21 HD2 ARG 21 2.720 -3.680 -7.243
151 HE ARG 21 HE ARG 21 0.786 -3.420 -9.186
152 HH11 ARG 21 HH11 ARG 21 2.719 -1.428 -7.337
153 HH12 ARG 21 HH12 ARG 21 1.822 0.024 -7.628
154 HH21 ARG 21 HH22 ARG 21 -0.815 -1.598 -9.186
155 HH22 ARG 21 HH21 ARG 21 -0.178 -0.071 -8.673
156 H ALA 22 H ALA 22 1.273 -3.600 -3.991
157 HA ALA 22 HA ALA 22 -1.062 -3.635 -2.144
158 HB1 ALA 22 HB1 ALA 22 0.752 -1.512 -1.604
159 HB2 ALA 22 HB2 ALA 22 1.731 -2.910 -2.048
160 HB3 ALA 22 HB3 ALA 22 0.584 -3.025 -0.716
161 H GLU 23 H GLU 23 -2.190 -1.497 -1.815
162 HA GLU 23 HA GLU 23 -1.940 0.427 -4.069
163 HB2 GLU 23 HB3 GLU 23 -3.998 -1.627 -3.700
164 HB3 GLU 23 HB2 GLU 23 -4.677 -0.010 -3.884
165 HG2 GLU 23 HG3 GLU 23 -2.661 -1.273 -5.764
166 HG3 GLU 23 HG2 GLU 23 -4.393 -1.142 -6.072
167 H GLN 24 H GLN 24 -2.936 2.477 -3.592
168 HA GLN 24 HA GLN 24 -3.027 3.178 -0.788
169 HB2 GLN 24 HB3 GLN 24 -3.573 5.410 -1.715
170 HB3 GLN 24 HB2 GLN 24 -2.236 4.673 -2.594
171 HG2 GLN 24 HG3 GLN 24 -4.388 3.732 -4.008
172 HG3 GLN 24 HG2 GLN 24 -4.960 5.327 -3.521
173 HE21 GLN 24 HE22 GLN 24 -3.508 3.901 -6.075
174 HE22 GLN 24 HE21 GLN 24 -2.506 5.165 -6.607
175 H VAL 25 H VAL 25 -4.845 3.411 0.519
176 HA VAL 25 HA VAL 25 -7.516 3.004 -0.780
177 HB VAL 25 HB VAL 25 -7.693 2.045 1.841
178 HG11 VAL 25 HG11 VAL 25 -7.357 0.751 -0.859
179 HG12 VAL 25 HG12 VAL 25 -8.832 0.959 0.085
180 HG13 VAL 25 HG13 VAL 25 -7.616 -0.214 0.594
181 HG21 VAL 25 HG21 VAL 25 -5.123 1.052 0.562
182 HG22 VAL 25 HG22 VAL 25 -5.843 0.446 2.053
183 HG23 VAL 25 HG23 VAL 25 -5.207 2.089 1.987
184 HA PRO 26 HA PRO 26 -7.805 6.908 1.468
185 HB2 PRO 26 HB2 PRO 26 -9.913 7.890 0.025
186 HB3 PRO 26 HB3 PRO 26 -8.230 7.993 -0.531
187 HG2 PRO 26 HG3 PRO 26 -10.378 6.104 -1.339
188 HG3 PRO 26 HG2 PRO 26 -9.103 6.852 -2.315
189 HD2 PRO 26 HD3 PRO 26 -9.020 4.269 -1.401
190 HD3 PRO 26 HD2 PRO 26 -7.580 5.235 -1.791
191 H VAL 27 H VAL 27 -8.684 6.418 3.452
192 HA VAL 27 HA VAL 27 -11.374 5.180 3.628
193 HB VAL 27 HB VAL 27 -9.305 5.958 5.713
194 HG11 VAL 27 HG11 VAL 27 -10.617 4.214 7.053
195 HG12 VAL 27 HG12 VAL 27 -11.875 4.369 5.826
196 HG13 VAL 27 HG13 VAL 27 -11.416 5.766 6.802
197 HG21 VAL 27 HG21 VAL 27 -9.019 3.387 5.718
198 HG22 VAL 27 HG22 VAL 27 -8.315 4.274 4.366
199 HG23 VAL 27 HG23 VAL 27 -9.845 3.422 4.160
200 H GLU 28 H GLU 28 -9.689 7.996 5.078
201 HA GLU 28 HA GLU 28 -12.113 9.257 5.993
202 HB2 GLU 28 HB3 GLU 28 -9.598 9.485 6.694
203 HB3 GLU 28 HB2 GLU 28 -9.527 10.680 5.398
204 HG2 GLU 28 HG3 GLU 28 -11.772 11.522 6.619
205 HG3 GLU 28 HG2 GLU 28 -10.956 10.799 8.006
206 H GLY 29 H GLY 29 -13.100 11.189 5.088
207 HA2 GLY 29 HA3 GLY 29 -13.338 11.164 2.229
208 HA3 GLY 29 HA2 GLY 29 -14.024 12.386 3.298
209 H ASN 30 H ASN 30 -12.383 12.497 0.694
210 HA ASN 30 HA ASN 30 -9.923 13.858 1.460
211 HB2 ASN 30 HB3 ASN 30 -9.735 14.144 -0.999
212 HB3 ASN 30 HB2 ASN 30 -10.126 12.480 -0.569
213 HD21 ASN 30 HD22 ASN 30 -11.727 11.642 -1.901
214 HD22 ASN 30 HD21 ASN 30 -13.014 12.527 -2.565
215 H ASP 31 H ASP 31 -13.206 14.775 1.109
216 HA ASP 31 HA ASP 31 -13.099 17.389 0.070
217 HB2 ASP 31 HB3 ASP 31 -14.816 15.777 1.854
218 HB3 ASP 31 HB2 ASP 31 -15.006 17.521 2.032
219 HA PRO 32 HA PRO 32 -12.239 19.070 4.465
220 HB2 PRO 32 HB2 PRO 32 -11.557 17.288 6.428
221 HB3 PRO 32 HB3 PRO 32 -13.234 17.764 6.094
222 HG2 PRO 32 HG3 PRO 32 -11.770 15.302 5.291
223 HG3 PRO 32 HG2 PRO 32 -13.451 15.499 5.810
224 HD2 PRO 32 HD3 PRO 32 -12.701 15.204 3.206
225 HD3 PRO 32 HD2 PRO 32 -14.169 16.066 3.713
226 H ILE 33 H ILE 33 -10.110 18.617 6.189
227 HA ILE 33 HA ILE 33 -7.809 19.119 4.639
228 HB ILE 33 HB ILE 33 -8.113 19.596 7.048
229 HG12 ILE 33 HG13 ILE 33 -5.834 18.306 7.731
230 HG13 ILE 33 HG12 ILE 33 -5.767 18.112 5.979
231 HG21 ILE 33 HG21 ILE 33 -9.233 17.303 7.433
232 HG22 ILE 33 HG22 ILE 33 -8.155 17.893 8.697
233 HG23 ILE 33 HG23 ILE 33 -7.593 16.665 7.563
234 HD11 ILE 33 HD11 ILE 33 -4.745 20.175 6.164
235 HD12 ILE 33 HD12 ILE 33 -5.647 20.608 7.617
236 HD13 ILE 33 HD13 ILE 33 -6.424 20.698 6.037
237 H ASN 34 H ASN 34 -6.455 17.797 3.490
238 HA ASN 34 HA ASN 34 -7.027 15.006 3.084
239 HB2 ASN 34 HB3 ASN 34 -4.932 15.133 1.751
240 HB3 ASN 34 HB2 ASN 34 -5.976 16.519 1.438
241 HD21 ASN 34 HD22 ASN 34 -2.791 15.810 1.910
242 HD22 ASN 34 HD21 ASN 34 -2.272 17.252 2.641
243 H SER 35 H SER 35 -3.842 14.642 3.282
244 HA SER 35 HA SER 35 -2.380 13.627 4.830
245 HB2 SER 35 HB3 SER 35 -3.699 15.828 6.067
246 HB3 SER 35 HB2 SER 35 -3.563 14.546 7.263
247 HG SER 35 HG SER 35 -1.646 16.135 6.175
248 H ALA 36 H ALA 36 -3.575 11.590 4.167
249 HA ALA 36 HA ALA 36 -4.287 9.998 6.437
250 HB1 ALA 36 HB1 ALA 36 -6.307 11.729 5.510
251 HB2 ALA 36 HB2 ALA 36 -6.516 10.376 6.620
252 HB3 ALA 36 HB3 ALA 36 -6.745 10.138 4.889
253 H TYR 37 H TYR 37 -6.116 8.258 5.063
254 HA TYR 37 HA TYR 37 -6.117 6.477 3.511
255 HB2 TYR 37 HB3 TYR 37 -4.269 7.962 1.695
256 HB3 TYR 37 HB2 TYR 37 -5.790 7.154 1.325
257 HD1 TYR 37 HD2 TYR 37 -7.811 8.327 2.925
258 HD2 TYR 37 HD1 TYR 37 -4.353 10.236 1.234
259 HE1 TYR 37 HE2 TYR 37 -8.969 10.519 3.021
260 HE2 TYR 37 HE1 TYR 37 -5.511 12.426 1.333
261 HH TYR 37 HH TYR 37 -7.953 13.211 1.354
262 H HIS 38 H HIS 38 -4.829 4.629 3.199
263 HA HIS 38 HA HIS 38 -1.904 4.910 3.778
264 HB2 HIS 38 HB3 HIS 38 -2.568 2.477 4.819
265 HB3 HIS 38 HB2 HIS 38 -2.506 3.955 5.769
266 HD1 HIS 38 HD1 HIS 38 -4.841 1.420 4.379
267 HD2 HIS 38 HD2 HIS 38 -5.115 5.121 6.278
268 HE1 HIS 38 HE1 HIS 38 -7.258 1.683 5.091
269 H TYR 39 H TYR 39 -0.852 2.633 3.269
270 HA TYR 39 HA TYR 39 -1.901 1.722 0.610
271 HB2 TYR 39 HB3 TYR 39 0.679 2.637 1.614
272 HB3 TYR 39 HB2 TYR 39 0.814 1.040 0.879
273 HD1 TYR 39 HD2 TYR 39 -0.042 0.680 -1.470
274 HD2 TYR 39 HD1 TYR 39 0.317 4.584 0.286
275 HE1 TYR 39 HE2 TYR 39 -0.168 1.706 -3.724
276 HE2 TYR 39 HE1 TYR 39 0.191 5.609 -1.967
277 HH TYR 39 HH TYR 39 0.532 5.045 -4.265
278 H ARG 40 H ARG 40 -2.696 -0.341 0.710
279 HA ARG 40 HA ARG 40 -1.637 -2.167 2.838
280 HB2 ARG 40 HB3 ARG 40 -3.854 -3.318 2.480
281 HB3 ARG 40 HB2 ARG 40 -4.002 -1.653 3.039
282 HG2 ARG 40 HG3 ARG 40 -4.596 -0.863 0.882
283 HG3 ARG 40 HG2 ARG 40 -4.052 -2.350 0.101
284 HD2 ARG 40 HD3 ARG 40 -5.931 -3.316 1.866
285 HD3 ARG 40 HD2 ARG 40 -6.638 -1.760 1.389
286 HE ARG 40 HE ARG 40 -5.689 -3.775 -0.615
287 HH11 ARG 40 HH22 ARG 40 -6.355 -1.039 -1.609
288 HH12 ARG 40 HH21 ARG 40 -8.016 -1.209 -2.070
289 HH21 ARG 40 HH11 ARG 40 -8.488 -4.145 -0.287
290 HH22 ARG 40 HH12 ARG 40 -9.223 -2.966 -1.321
291 H CYS 41 H CYS 41 -1.561 -4.501 2.173
292 HA CYS 41 HA CYS 41 -0.736 -4.772 -0.692
293 HB2 CYS 41 HB3 CYS 41 0.393 -6.883 0.717
294 HB3 CYS 41 HB2 CYS 41 1.211 -5.400 0.273
295 H VAL 42 H VAL 42 -1.682 -6.444 -1.904
296 HA VAL 42 HA VAL 42 -3.471 -8.325 -0.413
297 HB VAL 42 HB VAL 42 -4.913 -7.917 -2.579
298 HG11 VAL 42 HG11 VAL 42 -6.289 -6.560 -1.287
299 HG12 VAL 42 HG12 VAL 42 -4.935 -5.632 -0.646
300 HG13 VAL 42 HG13 VAL 42 -5.250 -7.260 -0.046
301 HG21 VAL 42 HG21 VAL 42 -3.433 -5.286 -2.331
302 HG22 VAL 42 HG22 VAL 42 -4.741 -5.654 -3.454
303 HG23 VAL 42 HG23 VAL 42 -3.178 -6.450 -3.630
304 H CYS 43 H CYS 43 -3.852 -10.331 -1.517
305 HA CYS 43 HA CYS 43 -1.786 -11.032 -3.527
306 HB2 CYS 43 HB3 CYS 43 -1.670 -12.234 -1.424
307 HB3 CYS 43 HB2 CYS 43 -3.385 -12.616 -1.500
308 H HIS 44 H HIS 44 -2.650 -11.034 -5.587
309 HA HIS 44 HA HIS 44 -5.414 -12.153 -5.933
310 HB2 HIS 44 HB3 HIS 44 -4.003 -9.936 -7.447
311 HB3 HIS 44 HB2 HIS 44 -5.620 -10.533 -7.802
312 HD1 HIS 44 HD1 HIS 44 -4.859 -7.578 -6.752
313 HD2 HIS 44 HD2 HIS 44 -6.473 -10.680 -4.482
314 HE1 HIS 44 HE1 HIS 44 -6.005 -6.495 -4.769
315 H ARG 45 H ARG 45 -5.668 -12.836 -8.360
316 HA ARG 45 HA ARG 45 -3.240 -14.366 -9.139
317 HB2 ARG 45 HB3 ARG 45 -5.212 -15.661 -8.388
318 HB3 ARG 45 HB2 ARG 45 -6.184 -14.888 -9.640
319 HG2 ARG 45 HG3 ARG 45 -5.066 -15.997 -11.376
320 HG3 ARG 45 HG2 ARG 45 -3.649 -16.332 -10.379
321 HD2 ARG 45 HD3 ARG 45 -4.559 -18.246 -9.523
322 HD3 ARG 45 HD2 ARG 45 -6.174 -17.521 -9.382
323 HE ARG 45 HE ARG 45 -6.644 -18.226 -11.600
324 HH11 ARG 45 HH22 ARG 45 -4.842 -20.554 -11.051
325 HH12 ARG 45 HH21 ARG 45 -3.749 -20.494 -12.393
326 HH21 ARG 45 HH11 ARG 45 -4.565 -17.235 -13.253
327 HH22 ARG 45 HH12 ARG 45 -3.593 -18.616 -13.640
Start of MODEL 14
1 H1 ILE 1 H1 ILE 1 1.499 10.355 3.983
2 H2 ILE 1 H2 ILE 1 2.148 11.503 5.054
3 H3 ILE 1 H3 ILE 1 1.575 10.015 5.642
4 HA ILE 1 HA ILE 1 3.748 10.030 3.649
5 HB ILE 1 HB ILE 1 4.315 11.701 5.378
6 HG12 ILE 1 HG13 ILE 1 5.926 9.365 6.270
7 HG13 ILE 1 HG12 ILE 1 5.894 9.671 4.533
8 HG21 ILE 1 HG21 ILE 1 4.288 11.216 7.701
9 HG22 ILE 1 HG22 ILE 1 4.109 9.484 7.421
10 HG23 ILE 1 HG23 ILE 1 2.761 10.575 7.098
11 HD11 ILE 1 HD11 ILE 1 7.756 10.872 5.673
12 HD12 ILE 1 HD12 ILE 1 6.567 11.749 6.636
13 HD13 ILE 1 HD13 ILE 1 6.625 11.975 4.888
14 H GLY 2 H GLY 2 1.912 8.051 3.718
15 HA2 GLY 2 HA3 GLY 2 3.396 5.830 4.990
16 HA3 GLY 2 HA2 GLY 2 1.703 6.016 5.448
17 H SER 3 H SER 3 3.338 6.398 2.294
18 HA SER 3 HA SER 3 1.457 4.327 1.201
19 HB2 SER 3 HB3 SER 3 2.471 6.967 0.133
20 HB3 SER 3 HB2 SER 3 1.747 5.759 -0.925
21 HG SER 3 HG SER 3 -0.046 6.672 -0.295
22 H THR 4 H THR 4 2.412 2.704 -0.017
23 HA THR 4 HA THR 4 5.360 2.598 -0.098
24 HB THR 4 HB THR 4 3.781 0.479 -1.373
25 HG1 THR 4 HG1 THR 4 2.564 -0.028 0.302
26 HG21 THR 4 HG21 THR 4 6.244 0.599 -0.406
27 HG22 THR 4 HG22 THR 4 5.312 -0.897 -0.325
28 HG23 THR 4 HG23 THR 4 5.430 0.147 1.093
29 H ALA 5 H ALA 5 6.219 3.799 -1.780
30 HA ALA 5 HA ALA 5 4.912 4.275 -4.294
31 HB1 ALA 5 HB1 ALA 5 6.598 5.773 -4.270
32 HB2 ALA 5 HB2 ALA 5 7.741 4.462 -4.556
33 HB3 ALA 5 HB3 ALA 5 7.341 4.940 -2.907
34 HA PRO 6 HA PRO 6 7.633 0.775 -6.029
35 HB2 PRO 6 HB2 PRO 6 9.186 -0.686 -4.330
36 HB3 PRO 6 HB3 PRO 6 9.736 0.827 -5.075
37 HG2 PRO 6 HG3 PRO 6 8.815 0.308 -2.312
38 HG3 PRO 6 HG2 PRO 6 10.007 1.470 -2.909
39 HD2 PRO 6 HD3 PRO 6 7.391 2.062 -2.175
40 HD3 PRO 6 HD2 PRO 6 8.452 3.091 -3.158
41 H THR 7 H THR 7 5.026 0.514 -4.870
42 HA THR 7 HA THR 7 3.429 -1.104 -4.208
43 HB THR 7 HB THR 7 3.682 -3.110 -5.461
44 HG1 THR 7 HG1 THR 7 5.519 -4.089 -5.627
45 HG21 THR 7 HG21 THR 7 3.841 -0.761 -6.665
46 HG22 THR 7 HG22 THR 7 4.010 -2.259 -7.579
47 HG23 THR 7 HG23 THR 7 5.445 -1.351 -7.101
48 H CYS 8 H CYS 8 3.420 -3.526 -3.225
49 HA CYS 8 HA CYS 8 5.228 -3.423 -0.882
50 HB2 CYS 8 HB3 CYS 8 2.469 -4.393 -1.451
51 HB3 CYS 8 HB2 CYS 8 3.399 -5.315 -0.277
52 H THR 9 H THR 9 6.994 -4.316 -2.191
53 HA THR 9 HA THR 9 7.350 -6.322 -3.875
54 HB THR 9 HB THR 9 9.281 -7.080 -2.488
55 HG1 THR 9 HG1 THR 9 8.651 -7.126 -0.447
56 HG21 THR 9 HG21 THR 9 10.394 -5.022 -2.600
57 HG22 THR 9 HG22 THR 9 8.980 -4.119 -2.056
58 HG23 THR 9 HG23 THR 9 9.037 -4.762 -3.696
59 H TYR 10 H TYR 10 6.421 -8.263 -4.232
60 HA TYR 10 HA TYR 10 4.400 -9.518 -2.991
61 HB2 TYR 10 HB3 TYR 10 5.394 -10.320 -5.041
62 HB3 TYR 10 HB2 TYR 10 6.888 -10.751 -4.216
63 HD1 TYR 10 HD1 TYR 10 6.883 -12.637 -2.538
64 HD2 TYR 10 HD2 TYR 10 3.522 -11.798 -5.075
65 HE1 TYR 10 HE1 TYR 10 5.974 -14.898 -2.082
66 HE2 TYR 10 HE2 TYR 10 2.612 -14.059 -4.618
67 HH TYR 10 HH TYR 10 4.309 -16.525 -3.477
68 H ASN 11 H ASN 11 7.728 -9.649 -1.728
69 HA ASN 11 HA ASN 11 7.465 -11.784 0.118
70 HB2 ASN 11 HB3 ASN 11 9.070 -9.254 -0.110
71 HB3 ASN 11 HB2 ASN 11 9.157 -10.174 1.392
72 HD21 ASN 11 HD22 ASN 11 10.206 -12.258 1.341
73 HD22 ASN 11 HD21 ASN 11 11.051 -12.815 -0.021
74 H GLU 12 H GLU 12 6.157 -8.560 0.083
75 HA GLU 12 HA GLU 12 5.590 -8.247 2.853
76 HB2 GLU 12 HB3 GLU 12 4.229 -7.230 0.337
77 HB3 GLU 12 HB2 GLU 12 3.886 -6.614 1.951
78 HG2 GLU 12 HG3 GLU 12 6.539 -6.480 0.480
79 HG3 GLU 12 HG2 GLU 12 5.488 -5.131 0.900
80 H CYS 13 H CYS 13 3.594 -9.439 0.145
81 HA CYS 13 HA CYS 13 1.340 -10.244 1.754
82 HB2 CYS 13 HB3 CYS 13 1.019 -9.803 -0.557
83 HB3 CYS 13 HB2 CYS 13 2.411 -10.778 -1.022
84 H ARG 14 H ARG 14 3.398 -12.428 -0.168
85 HA ARG 14 HA ARG 14 4.206 -14.591 0.271
86 HB2 ARG 14 HB3 ARG 14 5.494 -13.219 1.874
87 HB3 ARG 14 HB2 ARG 14 4.213 -13.423 3.067
88 HG2 ARG 14 HG3 ARG 14 5.256 -15.924 1.865
89 HG3 ARG 14 HG2 ARG 14 6.376 -15.053 2.911
90 HD2 ARG 14 HD3 ARG 14 4.215 -14.914 4.490
91 HD3 ARG 14 HD2 ARG 14 3.801 -16.398 3.609
92 HE ARG 14 HE ARG 14 5.929 -17.369 4.360
93 HH11 ARG 14 HH22 ARG 14 4.370 -15.365 6.477
94 HH12 ARG 14 HH21 ARG 14 5.744 -15.015 7.472
95 HH21 ARG 14 HH11 ARG 14 8.022 -16.466 5.297
96 HH22 ARG 14 HH12 ARG 14 7.811 -15.638 6.804
97 H GLY 15 H GLY 15 3.552 -16.671 1.161
98 HA2 GLY 15 HA3 GLY 15 2.057 -18.005 2.586
99 HA3 GLY 15 HA2 GLY 15 0.901 -16.671 2.534
100 H CYS 16 H CYS 16 0.350 -16.080 0.087
101 HA CYS 16 HA CYS 16 -0.847 -18.490 -1.061
102 HB2 CYS 16 HB3 CYS 16 -1.869 -16.818 -2.562
103 HB3 CYS 16 HB2 CYS 16 -1.995 -16.305 -0.886
104 H ARG 17 H ARG 17 -0.707 -17.860 -3.808
105 HA ARG 17 HA ARG 17 2.193 -17.852 -4.493
106 HB2 ARG 17 HB3 ARG 17 1.887 -19.955 -5.755
107 HB3 ARG 17 HB2 ARG 17 1.484 -20.185 -4.054
108 HG2 ARG 17 HG3 ARG 17 -0.432 -21.101 -4.883
109 HG3 ARG 17 HG2 ARG 17 -0.939 -19.420 -5.044
110 HD2 ARG 17 HD3 ARG 17 -1.038 -19.650 -7.295
111 HD3 ARG 17 HD2 ARG 17 0.666 -20.145 -7.335
112 HE ARG 17 HE ARG 17 -0.563 -22.402 -6.389
113 HH11 ARG 17 HH11 ARG 17 -2.677 -20.690 -8.156
114 HH12 ARG 17 HH12 ARG 17 -2.719 -21.731 -9.540
115 HH21 ARG 17 HH22 ARG 17 0.039 -23.588 -8.557
116 HH22 ARG 17 HH21 ARG 17 -1.181 -23.371 -9.767
117 H TYR 18 H TYR 18 -0.100 -15.991 -4.953
118 HA TYR 18 HA TYR 18 -0.346 -16.170 -7.935
119 HB2 TYR 18 HB3 TYR 18 -1.994 -14.838 -5.768
120 HB3 TYR 18 HB2 TYR 18 -2.306 -14.627 -7.487
121 HD1 TYR 18 HD2 TYR 18 -2.654 -16.747 -8.912
122 HD2 TYR 18 HD1 TYR 18 -2.868 -16.708 -4.622
123 HE1 TYR 18 HE2 TYR 18 -3.927 -18.876 -8.955
124 HE2 TYR 18 HE1 TYR 18 -4.141 -18.837 -4.666
125 HH TYR 18 HH TYR 18 -4.216 -20.890 -6.623
126 H LYS 19 H LYS 19 -1.193 -13.336 -8.035
127 HA LYS 19 HA LYS 19 1.514 -12.106 -7.989
128 HB2 LYS 19 HB3 LYS 19 -1.144 -11.222 -9.164
129 HB3 LYS 19 HB2 LYS 19 0.414 -10.453 -9.464
130 HG2 LYS 19 HG3 LYS 19 0.462 -13.345 -9.955
131 HG3 LYS 19 HG2 LYS 19 -0.690 -12.493 -10.983
132 HD2 LYS 19 HD3 LYS 19 1.090 -10.904 -11.647
133 HD3 LYS 19 HD2 LYS 19 2.242 -11.793 -10.647
134 HE2 LYS 19 HE3 LYS 19 2.184 -13.693 -12.052
135 HE3 LYS 19 HE2 LYS 19 0.655 -13.198 -12.803
136 HZ1 LYS 19 HZ1 LYS 19 3.261 -11.786 -13.029
137 HZ2 LYS 19 HZ2 LYS 19 1.795 -11.224 -13.670
138 HZ3 LYS 19 HZ3 LYS 19 2.485 -12.658 -14.264
139 H CYS 20 H CYS 20 1.877 -11.314 -5.903
140 HA CYS 20 HA CYS 20 -0.281 -9.936 -4.434
141 HB2 CYS 20 HB3 CYS 20 2.640 -10.509 -3.834
142 HB3 CYS 20 HB2 CYS 20 1.497 -9.821 -2.680
143 H ARG 21 H ARG 21 -0.287 -7.718 -3.983
144 HA ARG 21 HA ARG 21 1.893 -5.943 -4.851
145 HB2 ARG 21 HB3 ARG 21 0.143 -6.769 -6.772
146 HB3 ARG 21 HB2 ARG 21 -0.686 -5.344 -6.154
147 HG2 ARG 21 HG3 ARG 21 0.659 -4.292 -7.688
148 HG3 ARG 21 HG2 ARG 21 1.784 -4.318 -6.330
149 HD2 ARG 21 HD3 ARG 21 2.276 -6.775 -7.403
150 HD3 ARG 21 HD2 ARG 21 1.864 -5.857 -8.864
151 HE ARG 21 HE ARG 21 3.558 -4.200 -7.332
152 HH11 ARG 21 HH11 ARG 21 3.991 -5.296 -10.181
153 HH12 ARG 21 HH12 ARG 21 5.521 -6.084 -9.987
154 HH21 ARG 21 HH22 ARG 21 5.391 -6.064 -6.522
155 HH22 ARG 21 HH21 ARG 21 6.314 -6.519 -7.916
156 H ALA 22 H ALA 22 1.058 -3.576 -4.510
157 HA ALA 22 HA ALA 22 -0.962 -3.563 -2.300
158 HB1 ALA 22 HB1 ALA 22 1.889 -2.793 -2.409
159 HB2 ALA 22 HB2 ALA 22 0.917 -3.329 -1.040
160 HB3 ALA 22 HB3 ALA 22 0.838 -1.652 -1.574
161 H GLU 23 H GLU 23 -2.110 -1.561 -2.068
162 HA GLU 23 HA GLU 23 -1.650 0.592 -4.041
163 HB2 GLU 23 HB3 GLU 23 -3.954 0.280 -4.973
164 HB3 GLU 23 HB2 GLU 23 -2.898 -1.095 -5.298
165 HG2 GLU 23 HG3 GLU 23 -4.086 -2.497 -3.949
166 HG3 GLU 23 HG2 GLU 23 -4.410 -1.240 -2.756
167 H GLN 24 H GLN 24 -3.546 2.261 -3.762
168 HA GLN 24 HA GLN 24 -3.843 2.764 -0.887
169 HB2 GLN 24 HB3 GLN 24 -3.113 4.435 -2.664
170 HB3 GLN 24 HB2 GLN 24 -4.775 4.405 -3.252
171 HG2 GLN 24 HG3 GLN 24 -5.626 5.313 -1.235
172 HG3 GLN 24 HG2 GLN 24 -4.136 4.967 -0.356
173 HE21 GLN 24 HE22 GLN 24 -4.781 6.639 -3.494
174 HE22 GLN 24 HE21 GLN 24 -3.916 8.041 -3.088
175 H VAL 25 H VAL 25 -5.478 1.383 -0.135
176 HA VAL 25 HA VAL 25 -7.965 0.960 -1.591
177 HB VAL 25 HB VAL 25 -6.919 -0.681 -0.069
178 HG11 VAL 25 HG11 VAL 25 -7.782 0.671 2.395
179 HG12 VAL 25 HG12 VAL 25 -6.467 1.502 1.564
180 HG13 VAL 25 HG13 VAL 25 -6.279 -0.182 2.049
181 HG21 VAL 25 HG21 VAL 25 -8.923 -1.388 1.024
182 HG22 VAL 25 HG22 VAL 25 -9.443 -0.534 -0.428
183 HG23 VAL 25 HG23 VAL 25 -9.524 0.266 1.141
184 HA PRO 26 HA PRO 26 -9.727 4.781 -0.058
185 HB2 PRO 26 HB2 PRO 26 -12.169 4.507 -1.259
186 HB3 PRO 26 HB3 PRO 26 -10.717 5.035 -2.134
187 HG2 PRO 26 HG3 PRO 26 -12.021 2.366 -2.068
188 HG3 PRO 26 HG2 PRO 26 -11.237 3.208 -3.413
189 HD2 PRO 26 HD3 PRO 26 -10.067 1.188 -1.983
190 HD3 PRO 26 HD2 PRO 26 -9.159 2.453 -2.841
191 H VAL 27 H VAL 27 -10.751 5.085 1.896
192 HA VAL 27 HA VAL 27 -12.672 2.978 2.827
193 HB VAL 27 HB VAL 27 -10.474 4.424 4.345
194 HG11 VAL 27 HG11 VAL 27 -12.220 4.112 5.915
195 HG12 VAL 27 HG12 VAL 27 -11.184 2.703 6.140
196 HG13 VAL 27 HG13 VAL 27 -12.682 2.559 5.220
197 HG21 VAL 27 HG21 VAL 27 -9.364 2.311 4.420
198 HG22 VAL 27 HG22 VAL 27 -9.882 2.508 2.745
199 HG23 VAL 27 HG23 VAL 27 -10.792 1.459 3.831
200 H GLU 28 H GLU 28 -11.541 6.026 4.299
201 HA GLU 28 HA GLU 28 -14.216 6.838 5.011
202 HB2 GLU 28 HB3 GLU 28 -11.477 8.111 5.007
203 HB3 GLU 28 HB2 GLU 28 -12.903 8.990 5.562
204 HG2 GLU 28 HG3 GLU 28 -12.394 6.240 6.642
205 HG3 GLU 28 HG2 GLU 28 -11.449 7.590 7.273
206 H GLY 29 H GLY 29 -15.407 8.643 4.133
207 HA2 GLY 29 HA3 GLY 29 -15.259 8.905 1.271
208 HA3 GLY 29 HA2 GLY 29 -16.324 9.827 2.328
209 H ASN 30 H ASN 30 -15.762 11.929 2.821
210 HA ASN 30 HA ASN 30 -13.036 12.906 2.653
211 HB2 ASN 30 HB3 ASN 30 -14.848 12.932 0.338
212 HB3 ASN 30 HB2 ASN 30 -14.135 14.505 0.693
213 HD21 ASN 30 HD22 ASN 30 -13.539 12.436 -1.514
214 HD22 ASN 30 HD21 ASN 30 -11.860 12.209 -1.417
215 H ASP 31 H ASP 31 -15.529 13.020 4.400
216 HA ASP 31 HA ASP 31 -16.391 15.800 4.323
217 HB2 ASP 31 HB3 ASP 31 -17.038 13.292 5.684
218 HB3 ASP 31 HB2 ASP 31 -17.161 14.693 6.748
219 HA PRO 32 HA PRO 32 -13.768 16.150 8.272
220 HB2 PRO 32 HB2 PRO 32 -12.315 13.998 9.124
221 HB3 PRO 32 HB3 PRO 32 -14.006 14.265 9.595
222 HG2 PRO 32 HG3 PRO 32 -12.874 12.402 7.586
223 HG3 PRO 32 HG2 PRO 32 -14.273 12.206 8.651
224 HD2 PRO 32 HD3 PRO 32 -14.403 12.843 5.966
225 HD3 PRO 32 HD2 PRO 32 -15.691 13.148 7.151
226 H ILE 33 H ILE 33 -11.118 15.537 8.836
227 HA ILE 33 HA ILE 33 -9.605 16.814 6.832
228 HB ILE 33 HB ILE 33 -8.775 16.547 9.079
229 HG12 ILE 33 HG13 ILE 33 -6.898 14.618 7.864
230 HG13 ILE 33 HG12 ILE 33 -7.236 16.028 6.859
231 HG21 ILE 33 HG21 ILE 33 -9.400 14.664 10.164
232 HG22 ILE 33 HG22 ILE 33 -8.034 13.875 9.377
233 HG23 ILE 33 HG23 ILE 33 -9.640 13.787 8.654
234 HD11 ILE 33 HD11 ILE 33 -6.277 17.497 8.352
235 HD12 ILE 33 HD12 ILE 33 -5.329 16.062 8.745
236 HD13 ILE 33 HD13 ILE 33 -6.704 16.515 9.754
237 H ASN 34 H ASN 34 -9.805 16.019 4.716
238 HA ASN 34 HA ASN 34 -9.563 14.527 2.900
239 HB2 ASN 34 HB3 ASN 34 -7.422 13.784 4.900
240 HB3 ASN 34 HB2 ASN 34 -7.524 12.978 3.334
241 HD21 ASN 34 HD22 ASN 34 -6.259 13.965 1.764
242 HD22 ASN 34 HD21 ASN 34 -5.874 15.618 1.714
243 H SER 35 H SER 35 -8.488 11.962 5.039
244 HA SER 35 HA SER 35 -10.976 10.765 5.705
245 HB2 SER 35 HB3 SER 35 -10.162 10.617 2.928
246 HB3 SER 35 HB2 SER 35 -10.366 9.010 3.611
247 HG SER 35 HG SER 35 -12.214 11.072 3.243
248 H ALA 36 H ALA 36 -8.601 8.811 3.987
249 HA ALA 36 HA ALA 36 -6.699 8.257 5.984
250 HB1 ALA 36 HB1 ALA 36 -9.390 7.051 6.379
251 HB2 ALA 36 HB2 ALA 36 -8.156 7.448 7.574
252 HB3 ALA 36 HB3 ALA 36 -8.021 5.968 6.624
253 H TYR 37 H TYR 37 -6.832 8.282 3.160
254 HA TYR 37 HA TYR 37 -6.988 5.590 2.070
255 HB2 TYR 37 HB3 TYR 37 -5.743 8.157 1.026
256 HB3 TYR 37 HB2 TYR 37 -6.118 6.737 0.054
257 HD1 TYR 37 HD2 TYR 37 -8.740 5.917 1.185
258 HD2 TYR 37 HD1 TYR 37 -7.219 9.822 0.242
259 HE1 TYR 37 HE2 TYR 37 -11.056 6.746 0.872
260 HE2 TYR 37 HE1 TYR 37 -9.534 10.649 -0.069
261 HH TYR 37 HH TYR 37 -11.975 9.717 0.986
262 H HIS 38 H HIS 38 -5.483 4.406 3.478
263 HA HIS 38 HA HIS 38 -2.633 5.171 3.411
264 HB2 HIS 38 HB3 HIS 38 -2.487 3.156 4.907
265 HB3 HIS 38 HB2 HIS 38 -3.603 4.376 5.487
266 HD1 HIS 38 HD1 HIS 38 -3.586 1.047 3.664
267 HD2 HIS 38 HD2 HIS 38 -6.239 3.490 5.755
268 HE1 HIS 38 HE1 HIS 38 -5.717 -0.290 3.951
269 H TYR 39 H TYR 39 -1.456 2.653 3.370
270 HA TYR 39 HA TYR 39 -2.150 1.589 0.647
271 HB2 TYR 39 HB3 TYR 39 0.295 2.773 1.779
272 HB3 TYR 39 HB2 TYR 39 0.577 1.227 0.981
273 HD1 TYR 39 HD2 TYR 39 -1.132 4.522 0.482
274 HD2 TYR 39 HD1 TYR 39 0.741 1.121 -1.358
275 HE1 TYR 39 HE2 TYR 39 -1.288 5.632 -1.729
276 HE2 TYR 39 HE1 TYR 39 0.585 2.233 -3.570
277 HH TYR 39 HH TYR 39 -1.363 4.589 -4.310
278 H ARG 40 H ARG 40 -2.219 -0.655 0.528
279 HA ARG 40 HA ARG 40 -1.107 -2.223 2.822
280 HB2 ARG 40 HB3 ARG 40 -3.300 -3.532 2.697
281 HB3 ARG 40 HB2 ARG 40 -3.422 -1.897 3.343
282 HG2 ARG 40 HG3 ARG 40 -4.463 -1.071 1.432
283 HG3 ARG 40 HG2 ARG 40 -3.782 -2.326 0.396
284 HD2 ARG 40 HD3 ARG 40 -5.251 -3.904 2.003
285 HD3 ARG 40 HD2 ARG 40 -6.214 -2.419 2.123
286 HE ARG 40 HE ARG 40 -5.520 -2.801 -0.612
287 HH11 ARG 40 HH11 ARG 40 -6.621 -5.279 1.291
288 HH12 ARG 40 HH12 ARG 40 -8.146 -5.478 0.494
289 HH21 ARG 40 HH22 ARG 40 -7.838 -2.589 -1.397
290 HH22 ARG 40 HH21 ARG 40 -8.834 -3.956 -1.026
291 H CYS 41 H CYS 41 -0.691 -4.472 2.279
292 HA CYS 41 HA CYS 41 -0.111 -4.892 -0.597
293 HB2 CYS 41 HB3 CYS 41 0.588 -6.832 1.585
294 HB3 CYS 41 HB2 CYS 41 1.528 -6.344 0.188
295 H VAL 42 H VAL 42 -1.457 -6.214 -1.818
296 HA VAL 42 HA VAL 42 -3.263 -8.102 -0.367
297 HB VAL 42 HB VAL 42 -4.885 -7.440 -2.167
298 HG11 VAL 42 HG11 VAL 42 -4.105 -4.891 -0.861
299 HG12 VAL 42 HG12 VAL 42 -4.419 -6.263 0.203
300 HG13 VAL 42 HG13 VAL 42 -5.674 -5.696 -0.900
301 HG21 VAL 42 HG21 VAL 42 -3.141 -5.065 -2.703
302 HG22 VAL 42 HG22 VAL 42 -4.426 -5.748 -3.700
303 HG23 VAL 42 HG23 VAL 42 -2.864 -6.559 -3.598
304 H CYS 43 H CYS 43 -3.876 -9.991 -1.633
305 HA CYS 43 HA CYS 43 -1.963 -10.656 -3.809
306 HB2 CYS 43 HB3 CYS 43 -1.799 -11.938 -1.691
307 HB3 CYS 43 HB2 CYS 43 -3.479 -12.428 -1.874
308 H HIS 44 H HIS 44 -2.915 -10.798 -5.812
309 HA HIS 44 HA HIS 44 -5.765 -11.707 -5.952
310 HB2 HIS 44 HB3 HIS 44 -5.815 -9.956 -7.919
311 HB3 HIS 44 HB2 HIS 44 -6.013 -9.409 -6.259
312 HD1 HIS 44 HD1 HIS 44 -3.206 -9.876 -8.799
313 HD2 HIS 44 HD2 HIS 44 -4.164 -7.480 -5.526
314 HE1 HIS 44 HE1 HIS 44 -1.363 -8.148 -8.613
315 H ARG 45 H ARG 45 -6.305 -12.162 -8.365
316 HA ARG 45 HA ARG 45 -4.135 -12.955 -10.120
317 HB2 ARG 45 HB3 ARG 45 -4.590 -15.404 -9.896
318 HB3 ARG 45 HB2 ARG 45 -3.973 -14.697 -8.404
319 HG2 ARG 45 HG3 ARG 45 -5.773 -15.630 -7.399
320 HG3 ARG 45 HG2 ARG 45 -6.711 -14.346 -8.161
321 HD2 ARG 45 HD3 ARG 45 -7.306 -15.749 -10.015
322 HD3 ARG 45 HD2 ARG 45 -6.117 -16.980 -9.545
323 HE ARG 45 HE ARG 45 -8.540 -16.306 -7.918
324 HH11 ARG 45 HH11 ARG 45 -7.594 -18.785 -9.770
325 HH12 ARG 45 HH12 ARG 45 -7.470 -19.979 -8.522
326 HH21 ARG 45 HH22 ARG 45 -7.701 -17.681 -5.935
327 HH22 ARG 45 HH21 ARG 45 -7.531 -19.354 -6.350
Start of MODEL 15
1 H1 ILE 1 H1 ILE 1 -1.113 11.826 -5.181
2 H2 ILE 1 H2 ILE 1 -1.173 12.759 -3.762
3 H3 ILE 1 H3 ILE 1 0.017 11.560 -3.944
4 HA ILE 1 HA ILE 1 -0.183 14.155 -5.373
5 HB ILE 1 HB ILE 1 1.909 12.783 -3.649
6 HG12 ILE 1 HG13 ILE 1 1.167 15.031 -2.309
7 HG13 ILE 1 HG12 ILE 1 -0.361 14.613 -3.085
8 HG21 ILE 1 HG21 ILE 1 1.815 15.390 -5.145
9 HG22 ILE 1 HG22 ILE 1 3.138 14.231 -5.013
10 HG23 ILE 1 HG23 ILE 1 2.741 15.276 -3.649
11 HD11 ILE 1 HD11 ILE 1 0.460 13.540 -0.727
12 HD12 ILE 1 HD12 ILE 1 1.106 12.349 -1.856
13 HD13 ILE 1 HD13 ILE 1 -0.620 12.710 -1.847
14 H GLY 2 H GLY 2 0.327 13.979 -7.515
15 HA2 GLY 2 HA3 GLY 2 1.389 13.265 -9.481
16 HA3 GLY 2 HA2 GLY 2 2.673 12.628 -8.452
17 H SER 3 H SER 3 2.678 10.431 -7.950
18 HA SER 3 HA SER 3 0.373 8.708 -8.401
19 HB2 SER 3 HB3 SER 3 1.622 7.504 -10.319
20 HB3 SER 3 HB2 SER 3 0.858 9.043 -10.702
21 HG SER 3 HG SER 3 2.768 9.723 -11.214
22 H THR 4 H THR 4 1.460 8.540 -6.105
23 HA THR 4 HA THR 4 3.957 7.248 -5.709
24 HB THR 4 HB THR 4 1.381 7.466 -4.201
25 HG1 THR 4 HG1 THR 4 2.938 9.204 -4.425
26 HG21 THR 4 HG21 THR 4 2.518 6.444 -2.237
27 HG22 THR 4 HG22 THR 4 3.877 6.020 -3.275
28 HG23 THR 4 HG23 THR 4 2.296 5.287 -3.548
29 H ALA 5 H ALA 5 4.412 5.361 -6.859
30 HA ALA 5 HA ALA 5 2.438 3.125 -6.553
31 HB1 ALA 5 HB1 ALA 5 3.722 2.533 -8.861
32 HB2 ALA 5 HB2 ALA 5 3.836 4.294 -8.896
33 HB3 ALA 5 HB3 ALA 5 2.257 3.513 -8.802
34 HA PRO 6 HA PRO 6 6.937 1.988 -5.432
35 HB2 PRO 6 HB2 PRO 6 6.914 2.289 -2.715
36 HB3 PRO 6 HB3 PRO 6 7.422 3.583 -3.818
37 HG2 PRO 6 HG3 PRO 6 4.838 3.219 -2.395
38 HG3 PRO 6 HG2 PRO 6 5.745 4.703 -2.730
39 HD2 PRO 6 HD3 PRO 6 3.551 3.903 -4.154
40 HD3 PRO 6 HD2 PRO 6 4.837 4.942 -4.805
41 H THR 7 H THR 7 3.726 1.305 -4.553
42 HA THR 7 HA THR 7 2.625 -0.631 -3.832
43 HB THR 7 HB THR 7 3.409 -2.540 -4.910
44 HG1 THR 7 HG1 THR 7 5.478 -3.163 -4.910
45 HG21 THR 7 HG21 THR 7 5.235 -0.711 -6.398
46 HG22 THR 7 HG22 THR 7 3.522 -0.297 -6.328
47 HG23 THR 7 HG23 THR 7 4.029 -1.841 -7.015
48 H CYS 8 H CYS 8 3.731 -2.988 -2.770
49 HA CYS 8 HA CYS 8 4.719 -2.037 -0.134
50 HB2 CYS 8 HB3 CYS 8 3.615 -4.135 0.666
51 HB3 CYS 8 HB2 CYS 8 2.487 -3.088 -0.191
52 H THR 9 H THR 9 5.224 -4.218 -2.765
53 HA THR 9 HA THR 9 7.267 -5.249 -3.462
54 HB THR 9 HB THR 9 9.118 -5.501 -1.945
55 HG1 THR 9 HG1 THR 9 8.914 -5.428 0.200
56 HG21 THR 9 HG21 THR 9 7.813 -2.976 -2.300
57 HG22 THR 9 HG22 THR 9 9.538 -3.309 -2.144
58 HG23 THR 9 HG23 THR 9 8.566 -3.001 -0.705
59 H TYR 10 H TYR 10 6.300 -7.112 -4.003
60 HA TYR 10 HA TYR 10 4.545 -8.783 -2.916
61 HB2 TYR 10 HB3 TYR 10 5.776 -9.112 -5.034
62 HB3 TYR 10 HB2 TYR 10 7.178 -9.680 -4.130
63 HD1 TYR 10 HD1 TYR 10 6.957 -11.762 -2.693
64 HD2 TYR 10 HD2 TYR 10 3.967 -10.567 -5.535
65 HE1 TYR 10 HE1 TYR 10 6.012 -14.055 -2.661
66 HE2 TYR 10 HE2 TYR 10 3.021 -12.858 -5.503
67 HH TYR 10 HH TYR 10 2.982 -14.808 -3.930
68 H ASN 11 H ASN 11 7.846 -8.584 -1.596
69 HA ASN 11 HA ASN 11 7.870 -10.947 -0.041
70 HB2 ASN 11 HB3 ASN 11 9.054 -8.178 0.239
71 HB3 ASN 11 HB2 ASN 11 9.376 -9.428 1.441
72 HD21 ASN 11 HD22 ASN 11 10.813 -8.090 -1.171
73 HD22 ASN 11 HD21 ASN 11 11.624 -9.439 -1.805
74 H GLU 12 H GLU 12 6.025 -8.023 0.271
75 HA GLU 12 HA GLU 12 5.454 -8.168 3.068
76 HB2 GLU 12 HB3 GLU 12 3.790 -7.080 0.777
77 HB3 GLU 12 HB2 GLU 12 3.624 -6.629 2.467
78 HG2 GLU 12 HG3 GLU 12 5.619 -5.749 0.454
79 HG3 GLU 12 HG2 GLU 12 4.968 -4.891 1.849
80 H CYS 13 H CYS 13 3.691 -9.273 0.182
81 HA CYS 13 HA CYS 13 1.636 -10.691 1.687
82 HB2 CYS 13 HB3 CYS 13 1.357 -9.539 -0.491
83 HB3 CYS 13 HB2 CYS 13 2.477 -10.681 -1.228
84 H ARG 14 H ARG 14 4.780 -11.505 1.531
85 HA ARG 14 HA ARG 14 5.140 -13.998 0.346
86 HB2 ARG 14 HB3 ARG 14 6.229 -12.443 2.556
87 HB3 ARG 14 HB2 ARG 14 6.339 -14.172 2.879
88 HG2 ARG 14 HG3 ARG 14 7.155 -13.079 0.196
89 HG3 ARG 14 HG2 ARG 14 8.275 -13.024 1.558
90 HD2 ARG 14 HD3 ARG 14 7.652 -15.560 1.842
91 HD3 ARG 14 HD2 ARG 14 7.138 -15.429 0.149
92 HE ARG 14 HE ARG 14 9.772 -14.259 0.708
93 HH11 ARG 14 HH11 ARG 14 8.771 -17.405 0.932
94 HH12 ARG 14 HH12 ARG 14 9.712 -18.009 -0.389
95 HH21 ARG 14 HH22 ARG 14 10.643 -14.862 -1.510
96 HH22 ARG 14 HH21 ARG 14 10.774 -16.569 -1.774
97 H GLY 15 H GLY 15 3.422 -15.483 0.385
98 HA2 GLY 15 HA3 GLY 15 3.101 -17.231 2.563
99 HA3 GLY 15 HA2 GLY 15 1.824 -16.026 2.719
100 H CYS 16 H CYS 16 0.516 -15.671 0.636
101 HA CYS 16 HA CYS 16 -0.716 -18.085 -0.190
102 HB2 CYS 16 HB3 CYS 16 -1.797 -16.580 -1.840
103 HB3 CYS 16 HB2 CYS 16 -1.729 -15.845 -0.244
104 H ARG 17 H ARG 17 -0.916 -17.969 -2.973
105 HA ARG 17 HA ARG 17 1.881 -18.397 -3.959
106 HB2 ARG 17 HB3 ARG 17 -0.464 -20.230 -4.527
107 HB3 ARG 17 HB2 ARG 17 1.246 -20.544 -4.826
108 HG2 ARG 17 HG3 ARG 17 1.419 -20.139 -2.202
109 HG3 ARG 17 HG2 ARG 17 -0.277 -20.623 -2.253
110 HD2 ARG 17 HD3 ARG 17 0.219 -22.783 -2.975
111 HD3 ARG 17 HD2 ARG 17 1.748 -22.288 -3.728
112 HE ARG 17 HE ARG 17 2.460 -21.796 -1.259
113 HH11 ARG 17 HH22 ARG 17 0.048 -22.864 0.053
114 HH12 ARG 17 HH21 ARG 17 0.466 -24.517 0.357
115 HH21 ARG 17 HH11 ARG 17 3.113 -24.536 -1.882
116 HH22 ARG 17 HH12 ARG 17 2.201 -25.463 -0.738
117 H TYR 18 H TYR 18 0.363 -16.090 -4.519
118 HA TYR 18 HA TYR 18 -0.153 -16.457 -7.443
119 HB2 TYR 18 HB3 TYR 18 -1.955 -15.125 -5.398
120 HB3 TYR 18 HB2 TYR 18 -2.221 -15.086 -7.139
121 HD1 TYR 18 HD2 TYR 18 -2.050 -17.490 -8.310
122 HD2 TYR 18 HD1 TYR 18 -3.049 -16.798 -4.192
123 HE1 TYR 18 HE2 TYR 18 -3.158 -19.701 -8.211
124 HE2 TYR 18 HE1 TYR 18 -4.157 -19.010 -4.089
125 HH TYR 18 HH TYR 18 -3.678 -21.408 -6.238
126 H LYS 19 H LYS 19 -1.094 -13.737 -7.713
127 HA LYS 19 HA LYS 19 1.497 -12.324 -7.596
128 HB2 LYS 19 HB3 LYS 19 -1.221 -11.484 -8.663
129 HB3 LYS 19 HB2 LYS 19 0.336 -10.757 -9.065
130 HG2 LYS 19 HG3 LYS 19 -0.064 -13.699 -9.540
131 HG3 LYS 19 HG2 LYS 19 -0.745 -12.544 -10.685
132 HD2 LYS 19 HD3 LYS 19 1.303 -12.540 -11.652
133 HD3 LYS 19 HD2 LYS 19 1.809 -11.557 -10.278
134 HE2 LYS 19 HE3 LYS 19 2.621 -13.478 -9.083
135 HE3 LYS 19 HE2 LYS 19 1.856 -14.591 -10.234
136 HZ1 LYS 19 HZ1 LYS 19 3.209 -13.532 -12.000
137 HZ2 LYS 19 HZ2 LYS 19 4.143 -14.354 -10.846
138 HZ3 LYS 19 HZ3 LYS 19 4.039 -12.658 -10.803
139 H CYS 20 H CYS 20 1.787 -10.349 -6.422
140 HA CYS 20 HA CYS 20 -0.417 -9.608 -4.533
141 HB2 CYS 20 HB3 CYS 20 2.532 -10.024 -3.940
142 HB3 CYS 20 HB2 CYS 20 1.346 -9.432 -2.776
143 H ARG 21 H ARG 21 -0.487 -7.379 -4.006
144 HA ARG 21 HA ARG 21 1.605 -5.518 -4.901
145 HB2 ARG 21 HB3 ARG 21 -0.810 -6.186 -6.488
146 HB3 ARG 21 HB2 ARG 21 -0.504 -4.459 -6.292
147 HG2 ARG 21 HG3 ARG 21 2.014 -5.549 -6.849
148 HG3 ARG 21 HG2 ARG 21 0.916 -6.405 -7.931
149 HD2 ARG 21 HD3 ARG 21 -0.051 -3.977 -8.376
150 HD3 ARG 21 HD2 ARG 21 1.561 -3.476 -7.825
151 HE ARG 21 HE ARG 21 1.190 -5.494 -10.008
152 HH11 ARG 21 HH22 ARG 21 1.463 -2.677 -10.920
153 HH12 ARG 21 HH21 ARG 21 3.174 -2.518 -11.143
154 HH21 ARG 21 HH11 ARG 21 3.946 -5.338 -9.278
155 HH22 ARG 21 HH12 ARG 21 4.579 -4.025 -10.215
156 H ALA 22 H ALA 22 1.174 -3.368 -4.103
157 HA ALA 22 HA ALA 22 -0.836 -3.343 -1.905
158 HB1 ALA 22 HB1 ALA 22 1.117 -1.151 -2.176
159 HB2 ALA 22 HB2 ALA 22 1.845 -2.750 -2.054
160 HB3 ALA 22 HB3 ALA 22 0.768 -2.175 -0.784
161 H GLU 23 H GLU 23 -2.444 -1.755 -1.830
162 HA GLU 23 HA GLU 23 -2.609 0.103 -4.185
163 HB2 GLU 23 HB3 GLU 23 -4.680 -1.553 -2.723
164 HB3 GLU 23 HB2 GLU 23 -5.123 -0.245 -3.821
165 HG2 GLU 23 HG3 GLU 23 -4.097 -1.329 -5.682
166 HG3 GLU 23 HG2 GLU 23 -3.282 -2.496 -4.640
167 H GLN 24 H GLN 24 -3.265 2.231 -3.713
168 HA GLN 24 HA GLN 24 -3.016 3.105 -0.943
169 HB2 GLN 24 HB3 GLN 24 -2.138 4.293 -2.998
170 HB3 GLN 24 HB2 GLN 24 -3.811 4.652 -3.424
171 HG2 GLN 24 HG3 GLN 24 -4.129 5.932 -1.405
172 HG3 GLN 24 HG2 GLN 24 -2.564 5.419 -0.773
173 HE21 GLN 24 HE22 GLN 24 -1.934 7.745 -0.666
174 HE22 GLN 24 HE21 GLN 24 -1.471 8.559 -2.081
175 H VAL 25 H VAL 25 -5.095 1.467 -0.807
176 HA VAL 25 HA VAL 25 -7.691 2.247 -1.487
177 HB VAL 25 HB VAL 25 -7.265 0.141 -0.449
178 HG11 VAL 25 HG11 VAL 25 -6.052 1.774 1.791
179 HG12 VAL 25 HG12 VAL 25 -5.266 0.556 0.790
180 HG13 VAL 25 HG13 VAL 25 -6.472 0.073 1.978
181 HG21 VAL 25 HG21 VAL 25 -8.513 1.328 1.947
182 HG22 VAL 25 HG22 VAL 25 -9.116 0.071 0.867
183 HG23 VAL 25 HG23 VAL 25 -9.280 1.769 0.421
184 HA PRO 26 HA PRO 26 -7.637 6.127 0.833
185 HB2 PRO 26 HB2 PRO 26 -9.774 7.242 -0.457
186 HB3 PRO 26 HB3 PRO 26 -8.133 7.243 -1.133
187 HG2 PRO 26 HG3 PRO 26 -10.453 5.517 -1.800
188 HG3 PRO 26 HG2 PRO 26 -9.186 6.165 -2.851
189 HD2 PRO 26 HD3 PRO 26 -9.263 3.578 -1.914
190 HD3 PRO 26 HD2 PRO 26 -7.790 4.414 -2.451
191 H VAL 27 H VAL 27 -8.381 5.536 2.865
192 HA VAL 27 HA VAL 27 -11.345 5.340 3.190
193 HB VAL 27 HB VAL 27 -9.255 3.556 4.477
194 HG11 VAL 27 HG11 VAL 27 -10.971 3.502 6.006
195 HG12 VAL 27 HG12 VAL 27 -11.580 2.294 4.874
196 HG13 VAL 27 HG13 VAL 27 -12.190 3.948 4.810
197 HG21 VAL 27 HG21 VAL 27 -10.231 1.780 3.055
198 HG22 VAL 27 HG22 VAL 27 -9.548 3.073 2.069
199 HG23 VAL 27 HG23 VAL 27 -11.293 2.969 2.304
200 H GLU 28 H GLU 28 -12.061 6.062 5.286
201 HA GLU 28 HA GLU 28 -11.988 7.423 7.215
202 HB2 GLU 28 HB3 GLU 28 -10.316 5.515 7.692
203 HB3 GLU 28 HB2 GLU 28 -9.057 6.689 7.307
204 HG2 GLU 28 HG3 GLU 28 -9.412 7.901 9.213
205 HG3 GLU 28 HG2 GLU 28 -11.152 7.607 9.198
206 H GLY 29 H GLY 29 -11.463 9.592 7.753
207 HA2 GLY 29 HA3 GLY 29 -10.653 11.767 7.398
208 HA3 GLY 29 HA2 GLY 29 -9.239 11.031 6.641
209 H ASN 30 H ASN 30 -11.265 13.298 5.907
210 HA ASN 30 HA ASN 30 -11.076 12.976 3.060
211 HB2 ASN 30 HB3 ASN 30 -12.805 11.292 3.519
212 HB3 ASN 30 HB2 ASN 30 -13.763 12.497 4.377
213 HD21 ASN 30 HD22 ASN 30 -13.517 10.985 1.408
214 HD22 ASN 30 HD21 ASN 30 -14.235 12.176 0.434
215 H ASP 31 H ASP 31 -13.722 14.310 4.997
216 HA ASP 31 HA ASP 31 -13.876 16.818 3.724
217 HB2 ASP 31 HB3 ASP 31 -14.746 15.552 6.246
218 HB3 ASP 31 HB2 ASP 31 -14.675 17.314 6.302
219 HA PRO 32 HA PRO 32 -10.979 18.651 7.059
220 HB2 PRO 32 HB2 PRO 32 -9.662 16.926 8.729
221 HB3 PRO 32 HB3 PRO 32 -11.257 17.606 9.104
222 HG2 PRO 32 HG3 PRO 32 -10.546 14.917 8.052
223 HG3 PRO 32 HG2 PRO 32 -11.792 15.380 9.221
224 HD2 PRO 32 HD3 PRO 32 -12.311 14.808 6.606
225 HD3 PRO 32 HD2 PRO 32 -13.314 15.891 7.593
226 H ILE 33 H ILE 33 -8.347 17.952 7.740
227 HA ILE 33 HA ILE 33 -6.925 18.098 5.325
228 HB ILE 33 HB ILE 33 -6.047 18.593 7.575
229 HG12 ILE 33 HG13 ILE 33 -4.130 16.493 6.956
230 HG13 ILE 33 HG12 ILE 33 -4.680 17.296 5.485
231 HG21 ILE 33 HG21 ILE 33 -5.515 15.733 8.169
232 HG22 ILE 33 HG22 ILE 33 -7.190 16.255 8.343
233 HG23 ILE 33 HG23 ILE 33 -5.918 17.056 9.265
234 HD11 ILE 33 HD11 ILE 33 -2.675 18.378 6.590
235 HD12 ILE 33 HD12 ILE 33 -3.733 18.797 7.937
236 HD13 ILE 33 HD13 ILE 33 -4.046 19.457 6.332
237 H ASN 34 H ASN 34 -6.873 16.627 3.688
238 HA ASN 34 HA ASN 34 -7.583 13.826 4.046
239 HB2 ASN 34 HB3 ASN 34 -7.015 13.763 1.610
240 HB3 ASN 34 HB2 ASN 34 -8.092 15.099 2.013
241 HD21 ASN 34 HD22 ASN 34 -5.237 14.361 0.361
242 HD22 ASN 34 HD21 ASN 34 -4.570 15.921 0.298
243 H SER 35 H SER 35 -5.891 13.264 5.676
244 HA SER 35 HA SER 35 -3.163 12.930 4.480
245 HB2 SER 35 HB3 SER 35 -4.161 13.972 6.940
246 HB3 SER 35 HB2 SER 35 -3.227 12.526 7.301
247 HG SER 35 HG SER 35 -1.706 14.054 7.176
248 H ALA 36 H ALA 36 -5.928 11.275 5.755
249 HA ALA 36 HA ALA 36 -4.780 8.823 6.635
250 HB1 ALA 36 HB1 ALA 36 -7.240 9.968 6.516
251 HB2 ALA 36 HB2 ALA 36 -6.990 8.254 6.847
252 HB3 ALA 36 HB3 ALA 36 -7.380 8.790 5.212
253 H TYR 37 H TYR 37 -6.349 7.077 4.855
254 HA TYR 37 HA TYR 37 -6.103 5.825 2.865
255 HB2 TYR 37 HB3 TYR 37 -4.454 8.015 1.651
256 HB3 TYR 37 HB2 TYR 37 -5.742 7.059 0.925
257 HD1 TYR 37 HD1 TYR 37 -8.113 7.383 2.279
258 HD2 TYR 37 HD2 TYR 37 -4.932 10.254 1.991
259 HE1 TYR 37 HE1 TYR 37 -9.716 9.212 2.767
260 HE2 TYR 37 HE2 TYR 37 -6.533 12.080 2.478
261 HH TYR 37 HH TYR 37 -9.043 12.436 2.225
262 H HIS 38 H HIS 38 -4.705 4.136 3.182
263 HA HIS 38 HA HIS 38 -1.771 4.730 3.230
264 HB2 HIS 38 HB3 HIS 38 -1.857 2.492 4.599
265 HB3 HIS 38 HB2 HIS 38 -2.280 4.000 5.396
266 HD1 HIS 38 HD1 HIS 38 -4.069 1.234 3.454
267 HD2 HIS 38 HD2 HIS 38 -4.746 3.848 6.629
268 HE1 HIS 38 HE1 HIS 38 -6.365 0.676 4.364
269 H TYR 39 H TYR 39 -0.692 2.318 2.896
270 HA TYR 39 HA TYR 39 -1.866 1.278 0.336
271 HB2 TYR 39 HB3 TYR 39 0.749 2.252 1.162
272 HB3 TYR 39 HB2 TYR 39 0.868 0.612 0.527
273 HD1 TYR 39 HD2 TYR 39 -0.495 0.166 -1.705
274 HD2 TYR 39 HD1 TYR 39 0.754 4.044 -0.339
275 HE1 TYR 39 HE2 TYR 39 -0.694 1.044 -4.014
276 HE2 TYR 39 HE1 TYR 39 0.554 4.920 -2.649
277 HH TYR 39 HH TYR 39 0.540 3.178 -5.279
278 H ARG 40 H ARG 40 -2.688 -0.773 0.616
279 HA ARG 40 HA ARG 40 -1.425 -2.521 2.706
280 HB2 ARG 40 HB3 ARG 40 -3.688 -3.657 2.648
281 HB3 ARG 40 HB2 ARG 40 -3.729 -1.984 3.197
282 HG2 ARG 40 HG3 ARG 40 -4.824 -1.249 1.318
283 HG3 ARG 40 HG2 ARG 40 -4.063 -2.443 0.272
284 HD2 ARG 40 HD3 ARG 40 -5.487 -4.170 1.667
285 HD3 ARG 40 HD2 ARG 40 -6.481 -2.746 2.031
286 HE ARG 40 HE ARG 40 -5.761 -3.125 -0.808
287 HH11 ARG 40 HH22 ARG 40 -8.133 -1.811 0.939
288 HH12 ARG 40 HH21 ARG 40 -9.457 -2.694 0.253
289 HH21 ARG 40 HH11 ARG 40 -7.429 -5.002 -1.357
290 HH22 ARG 40 HH12 ARG 40 -9.058 -4.499 -1.047
291 H CYS 41 H CYS 41 -0.381 -4.324 1.964
292 HA CYS 41 HA CYS 41 -0.241 -4.902 -0.881
293 HB2 CYS 41 HB3 CYS 41 1.574 -5.161 0.887
294 HB3 CYS 41 HB2 CYS 41 0.705 -6.586 1.458
295 H VAL 42 H VAL 42 -1.856 -5.983 -1.940
296 HA VAL 42 HA VAL 42 -3.440 -8.029 -0.447
297 HB VAL 42 HB VAL 42 -5.084 -7.555 -2.274
298 HG11 VAL 42 HG11 VAL 42 -5.662 -6.275 -0.458
299 HG12 VAL 42 HG12 VAL 42 -5.233 -4.971 -1.566
300 HG13 VAL 42 HG13 VAL 42 -4.070 -5.521 -0.360
301 HG21 VAL 42 HG21 VAL 42 -4.706 -5.903 -3.908
302 HG22 VAL 42 HG22 VAL 42 -3.173 -6.773 -3.843
303 HG23 VAL 42 HG23 VAL 42 -3.342 -5.220 -3.024
304 H CYS 43 H CYS 43 -4.028 -9.991 -1.746
305 HA CYS 43 HA CYS 43 -1.888 -10.677 -3.694
306 HB2 CYS 43 HB3 CYS 43 -1.911 -11.866 -1.508
307 HB3 CYS 43 HB2 CYS 43 -3.520 -12.465 -1.878
308 H HIS 44 H HIS 44 -2.608 -10.871 -5.747
309 HA HIS 44 HA HIS 44 -5.386 -11.907 -6.214
310 HB2 HIS 44 HB3 HIS 44 -3.790 -9.865 -7.800
311 HB3 HIS 44 HB2 HIS 44 -5.419 -10.412 -8.184
312 HD1 HIS 44 HD1 HIS 44 -6.468 -10.427 -5.197
313 HD2 HIS 44 HD2 HIS 44 -4.524 -7.239 -7.051
314 HE1 HIS 44 HE1 HIS 44 -7.149 -8.340 -3.934
315 H ARG 45 H ARG 45 -5.439 -12.803 -8.613
316 HA ARG 45 HA ARG 45 -3.215 -14.704 -8.841
317 HB2 ARG 45 HB3 ARG 45 -5.737 -14.338 -10.480
318 HB3 ARG 45 HB2 ARG 45 -4.685 -15.751 -10.503
319 HG2 ARG 45 HG3 ARG 45 -5.444 -16.523 -8.478
320 HG3 ARG 45 HG2 ARG 45 -5.722 -14.901 -7.843
321 HD2 ARG 45 HD3 ARG 45 -7.616 -14.832 -9.698
322 HD3 ARG 45 HD2 ARG 45 -7.521 -16.598 -9.545
323 HE ARG 45 HE ARG 45 -7.735 -16.138 -7.004
324 HH11 ARG 45 HH11 ARG 45 -9.840 -15.232 -9.411
325 HH12 ARG 45 HH12 ARG 45 -10.738 -14.093 -8.463
326 HH21 ARG 45 HH22 ARG 45 -8.532 -14.177 -5.789
327 HH22 ARG 45 HH21 ARG 45 -9.997 -13.497 -6.413
Start of MODEL 16
1 H1 ILE 1 H1 ILE 1 0.251 12.518 2.997
2 H2 ILE 1 H2 ILE 1 -0.784 13.735 2.422
3 H3 ILE 1 H3 ILE 1 0.662 13.388 1.601
4 HA ILE 1 HA ILE 1 -1.533 11.406 1.913
5 HB ILE 1 HB ILE 1 -2.061 12.102 -0.454
6 HG12 ILE 1 HG13 ILE 1 -0.636 14.680 0.019
7 HG13 ILE 1 HG12 ILE 1 0.345 13.297 -0.471
8 HG21 ILE 1 HG21 ILE 1 -2.291 14.534 1.290
9 HG22 ILE 1 HG22 ILE 1 -3.105 13.046 1.773
10 HG23 ILE 1 HG23 ILE 1 -3.496 13.804 0.229
11 HD11 ILE 1 HD11 ILE 1 -0.629 13.167 -2.552
12 HD12 ILE 1 HD12 ILE 1 -0.855 14.892 -2.265
13 HD13 ILE 1 HD13 ILE 1 -2.184 13.768 -1.978
14 H GLY 2 H GLY 2 1.077 10.653 2.355
15 HA2 GLY 2 HA3 GLY 2 1.572 8.812 0.188
16 HA3 GLY 2 HA2 GLY 2 2.763 10.113 0.187
17 H SER 3 H SER 3 3.308 7.315 0.740
18 HA SER 3 HA SER 3 4.827 7.634 3.211
19 HB2 SER 3 HB3 SER 3 2.174 6.297 3.122
20 HB3 SER 3 HB2 SER 3 3.431 5.458 4.026
21 HG SER 3 HG SER 3 2.286 7.989 4.443
22 H THR 4 H THR 4 3.458 5.338 0.847
23 HA THR 4 HA THR 4 6.000 3.761 0.993
24 HB THR 4 HB THR 4 3.586 2.712 -0.352
25 HG1 THR 4 HG1 THR 4 2.348 2.950 1.304
26 HG21 THR 4 HG21 THR 4 5.961 1.658 0.438
27 HG22 THR 4 HG22 THR 4 4.496 0.704 0.209
28 HG23 THR 4 HG23 THR 4 4.947 1.252 1.823
29 H ALA 5 H ALA 5 5.825 2.417 -1.400
30 HA ALA 5 HA ALA 5 5.216 4.021 -3.697
31 HB1 ALA 5 HB1 ALA 5 6.925 5.500 -3.525
32 HB2 ALA 5 HB2 ALA 5 7.992 4.157 -3.935
33 HB3 ALA 5 HB3 ALA 5 7.693 4.562 -2.244
34 HA PRO 6 HA PRO 6 7.850 0.295 -5.024
35 HB2 PRO 6 HB2 PRO 6 9.341 -1.040 -3.174
36 HB3 PRO 6 HB3 PRO 6 9.944 0.384 -4.042
37 HG2 PRO 6 HG3 PRO 6 8.967 0.142 -1.262
38 HG3 PRO 6 HG2 PRO 6 10.198 1.215 -1.940
39 HD2 PRO 6 HD3 PRO 6 7.586 1.937 -1.310
40 HD3 PRO 6 HD2 PRO 6 8.689 2.845 -2.363
41 H THR 7 H THR 7 5.235 0.178 -4.049
42 HA THR 7 HA THR 7 3.566 -1.280 -3.221
43 HB THR 7 HB THR 7 3.788 -3.434 -4.214
44 HG1 THR 7 HG1 THR 7 5.816 -4.288 -4.720
45 HG21 THR 7 HG21 THR 7 4.297 -2.885 -6.414
46 HG22 THR 7 HG22 THR 7 5.678 -1.892 -5.951
47 HG23 THR 7 HG23 THR 7 4.039 -1.292 -5.704
48 H CYS 8 H CYS 8 3.819 -3.859 -2.133
49 HA CYS 8 HA CYS 8 5.205 -3.259 0.416
50 HB2 CYS 8 HB3 CYS 8 2.641 -3.817 0.047
51 HB3 CYS 8 HB2 CYS 8 3.233 -5.478 0.020
52 H THR 9 H THR 9 5.935 -4.703 -2.350
53 HA THR 9 HA THR 9 7.482 -6.339 -3.001
54 HB THR 9 HB THR 9 9.160 -6.876 -1.443
55 HG1 THR 9 HG1 THR 9 7.520 -6.378 0.776
56 HG21 THR 9 HG21 THR 9 8.350 -4.300 -1.581
57 HG22 THR 9 HG22 THR 9 9.751 -4.817 -0.644
58 HG23 THR 9 HG23 THR 9 8.200 -4.565 0.155
59 H TYR 10 H TYR 10 6.630 -8.175 -3.765
60 HA TYR 10 HA TYR 10 4.409 -9.541 -3.123
61 HB2 TYR 10 HB3 TYR 10 5.228 -11.122 -4.566
62 HB3 TYR 10 HB2 TYR 10 6.504 -9.928 -4.781
63 HD1 TYR 10 HD2 TYR 10 8.704 -10.221 -3.721
64 HD2 TYR 10 HD1 TYR 10 5.600 -13.157 -3.283
65 HE1 TYR 10 HE2 TYR 10 10.366 -11.853 -2.869
66 HE2 TYR 10 HE1 TYR 10 7.262 -14.789 -2.432
67 HH TYR 10 HH TYR 10 10.099 -14.065 -1.235
68 H ASN 11 H ASN 11 7.369 -9.829 -1.165
69 HA ASN 11 HA ASN 11 6.676 -12.177 0.291
70 HB2 ASN 11 HB3 ASN 11 8.759 -10.433 0.228
71 HB3 ASN 11 HB2 ASN 11 7.964 -9.889 1.707
72 HD21 ASN 11 HD22 ASN 11 10.498 -11.677 1.022
73 HD22 ASN 11 HD21 ASN 11 10.327 -12.973 2.106
74 H GLU 12 H GLU 12 5.435 -8.942 0.331
75 HA GLU 12 HA GLU 12 4.282 -8.710 2.863
76 HB2 GLU 12 HB3 GLU 12 2.516 -7.376 1.562
77 HB3 GLU 12 HB2 GLU 12 4.188 -6.899 1.294
78 HG2 GLU 12 HG3 GLU 12 3.746 -7.131 -0.920
79 HG3 GLU 12 HG2 GLU 12 3.797 -8.872 -0.621
80 H CYS 13 H CYS 13 3.327 -10.672 0.121
81 HA CYS 13 HA CYS 13 0.850 -11.591 1.482
82 HB2 CYS 13 HB3 CYS 13 0.214 -12.261 -0.691
83 HB3 CYS 13 HB2 CYS 13 1.164 -10.809 -0.981
84 H ARG 14 H ARG 14 3.699 -12.377 2.296
85 HA ARG 14 HA ARG 14 4.494 -14.937 1.537
86 HB2 ARG 14 HB3 ARG 14 5.511 -13.310 3.204
87 HB3 ARG 14 HB2 ARG 14 4.362 -13.926 4.389
88 HG2 ARG 14 HG3 ARG 14 5.944 -15.945 2.877
89 HG3 ARG 14 HG2 ARG 14 6.810 -14.993 4.082
90 HD2 ARG 14 HD3 ARG 14 6.006 -16.473 5.613
91 HD3 ARG 14 HD2 ARG 14 4.428 -15.696 5.373
92 HE ARG 14 HE ARG 14 4.760 -17.501 3.230
93 HH11 ARG 14 HH22 ARG 14 2.822 -17.323 5.767
94 HH12 ARG 14 HH21 ARG 14 2.870 -18.988 6.244
95 HH21 ARG 14 HH11 ARG 14 5.584 -19.760 4.227
96 HH22 ARG 14 HH12 ARG 14 4.435 -20.367 5.372
97 H GLY 15 H GLY 15 3.023 -16.586 1.192
98 HA2 GLY 15 HA3 GLY 15 2.056 -18.374 2.904
99 HA3 GLY 15 HA2 GLY 15 0.894 -17.080 3.201
100 H CYS 16 H CYS 16 -0.018 -16.138 1.023
101 HA CYS 16 HA CYS 16 -1.537 -18.148 -0.292
102 HB2 CYS 16 HB3 CYS 16 -2.098 -16.241 -1.797
103 HB3 CYS 16 HB2 CYS 16 -2.156 -15.782 -0.101
104 H ARG 17 H ARG 17 -1.297 -17.499 -3.049
105 HA ARG 17 HA ARG 17 1.484 -18.041 -3.880
106 HB2 ARG 17 HB3 ARG 17 0.833 -20.207 -4.918
107 HB3 ARG 17 HB2 ARG 17 0.625 -20.232 -3.168
108 HG2 ARG 17 HG3 ARG 17 -1.479 -20.959 -3.607
109 HG3 ARG 17 HG2 ARG 17 -1.818 -19.282 -4.032
110 HD2 ARG 17 HD3 ARG 17 -1.745 -19.704 -6.314
111 HD3 ARG 17 HD2 ARG 17 -0.610 -21.055 -6.131
112 HE ARG 17 HE ARG 17 -3.092 -21.657 -4.800
113 HH11 ARG 17 HH22 ARG 17 -1.185 -23.003 -7.011
114 HH12 ARG 17 HH21 ARG 17 -2.407 -23.434 -8.161
115 HH21 ARG 17 HH11 ARG 17 -4.871 -21.509 -6.665
116 HH22 ARG 17 HH12 ARG 17 -4.492 -22.589 -7.964
117 H TYR 18 H TYR 18 -0.436 -15.912 -4.471
118 HA TYR 18 HA TYR 18 -0.829 -16.392 -7.412
119 HB2 TYR 18 HB3 TYR 18 -2.509 -14.815 -5.436
120 HB3 TYR 18 HB2 TYR 18 -2.827 -14.925 -7.164
121 HD1 TYR 18 HD2 TYR 18 -2.902 -17.397 -8.129
122 HD2 TYR 18 HD1 TYR 18 -3.571 -16.340 -4.022
123 HE1 TYR 18 HE2 TYR 18 -4.130 -19.522 -7.785
124 HE2 TYR 18 HE1 TYR 18 -4.801 -18.464 -3.676
125 HH TYR 18 HH TYR 18 -4.955 -20.681 -4.671
126 H LYS 19 H LYS 19 -1.632 -13.681 -7.897
127 HA LYS 19 HA LYS 19 0.962 -12.382 -8.107
128 HB2 LYS 19 HB3 LYS 19 -1.847 -11.314 -8.553
129 HB3 LYS 19 HB2 LYS 19 -0.359 -10.653 -9.227
130 HG2 LYS 19 HG3 LYS 19 -0.654 -13.506 -9.801
131 HG3 LYS 19 HG2 LYS 19 -1.995 -12.556 -10.440
132 HD2 LYS 19 HD3 LYS 19 -0.487 -11.109 -11.650
133 HD3 LYS 19 HD2 LYS 19 0.916 -11.839 -10.869
134 HE2 LYS 19 HE3 LYS 19 -0.964 -13.607 -12.414
135 HE3 LYS 19 HE2 LYS 19 0.243 -12.640 -13.287
136 HZ1 LYS 19 HZ1 LYS 19 0.765 -14.512 -11.039
137 HZ2 LYS 19 HZ2 LYS 19 1.931 -13.490 -11.725
138 HZ3 LYS 19 HZ3 LYS 19 1.230 -14.724 -12.658
139 H CYS 20 H CYS 20 1.662 -10.518 -6.930
140 HA CYS 20 HA CYS 20 -0.021 -9.779 -4.557
141 HB2 CYS 20 HB3 CYS 20 2.993 -10.112 -4.617
142 HB3 CYS 20 HB2 CYS 20 1.974 -9.892 -3.195
143 H ARG 21 H ARG 21 0.028 -7.588 -3.991
144 HA ARG 21 HA ARG 21 1.980 -5.717 -5.104
145 HB2 ARG 21 HB3 ARG 21 -0.124 -6.496 -6.737
146 HB3 ARG 21 HB2 ARG 21 -0.700 -4.994 -6.020
147 HG2 ARG 21 HG3 ARG 21 0.463 -4.194 -7.873
148 HG3 ARG 21 HG2 ARG 21 1.698 -4.109 -6.616
149 HD2 ARG 21 HD3 ARG 21 2.929 -5.828 -7.527
150 HD3 ARG 21 HD2 ARG 21 1.484 -6.695 -8.087
151 HE ARG 21 HE ARG 21 1.432 -4.441 -9.639
152 HH11 ARG 21 HH11 ARG 21 2.872 -7.394 -9.826
153 HH12 ARG 21 HH12 ARG 21 4.161 -6.930 -10.886
154 HH21 ARG 21 HH22 ARG 21 3.536 -3.533 -10.590
155 HH22 ARG 21 HH21 ARG 21 4.538 -4.745 -11.319
156 H ALA 22 H ALA 22 1.172 -3.390 -4.557
157 HA ALA 22 HA ALA 22 -0.624 -3.421 -2.173
158 HB1 ALA 22 HB1 ALA 22 1.034 -2.418 -0.831
159 HB2 ALA 22 HB2 ALA 22 1.967 -1.884 -2.228
160 HB3 ALA 22 HB3 ALA 22 1.953 -3.588 -1.777
161 H GLU 23 H GLU 23 -1.984 -1.641 -2.138
162 HA GLU 23 HA GLU 23 -1.274 0.815 -3.624
163 HB2 GLU 23 HB3 GLU 23 -3.334 0.586 -5.036
164 HB3 GLU 23 HB2 GLU 23 -2.144 -0.676 -5.353
165 HG2 GLU 23 HG3 GLU 23 -3.987 -1.406 -3.203
166 HG3 GLU 23 HG2 GLU 23 -4.821 -1.089 -4.724
167 H GLN 24 H GLN 24 -2.953 2.515 -3.284
168 HA GLN 24 HA GLN 24 -3.805 2.733 -0.581
169 HB2 GLN 24 HB3 GLN 24 -3.376 4.562 -2.247
170 HB3 GLN 24 HB2 GLN 24 -4.884 4.125 -3.050
171 HG2 GLN 24 HG3 GLN 24 -6.010 4.454 -0.767
172 HG3 GLN 24 HG2 GLN 24 -4.512 5.244 -0.270
173 HE21 GLN 24 HE22 GLN 24 -4.026 7.338 -1.171
174 HE22 GLN 24 HE21 GLN 24 -5.138 8.197 -2.124
175 H VAL 25 H VAL 25 -5.622 1.946 0.435
176 HA VAL 25 HA VAL 25 -7.671 0.573 -1.242
177 HB VAL 25 HB VAL 25 -6.484 -0.693 0.510
178 HG11 VAL 25 HG11 VAL 25 -6.719 1.695 1.971
179 HG12 VAL 25 HG12 VAL 25 -6.054 0.168 2.547
180 HG13 VAL 25 HG13 VAL 25 -7.757 0.544 2.811
181 HG21 VAL 25 HG21 VAL 25 -9.405 -0.211 0.548
182 HG22 VAL 25 HG22 VAL 25 -8.762 -1.017 1.979
183 HG23 VAL 25 HG23 VAL 25 -8.514 -1.724 0.383
184 HA PRO 26 HA PRO 26 -10.157 4.192 -0.225
185 HB2 PRO 26 HB2 PRO 26 -12.231 3.576 -1.900
186 HB3 PRO 26 HB3 PRO 26 -10.727 4.328 -2.465
187 HG2 PRO 26 HG3 PRO 26 -11.595 1.487 -2.618
188 HG3 PRO 26 HG2 PRO 26 -10.701 2.461 -3.796
189 HD2 PRO 26 HD3 PRO 26 -9.528 0.631 -2.143
190 HD3 PRO 26 HD2 PRO 26 -8.685 2.051 -2.801
191 H VAL 27 H VAL 27 -11.169 4.041 1.738
192 HA VAL 27 HA VAL 27 -13.133 1.811 2.156
193 HB VAL 27 HB VAL 27 -11.336 3.315 4.090
194 HG11 VAL 27 HG11 VAL 27 -12.139 1.606 5.730
195 HG12 VAL 27 HG12 VAL 27 -13.308 1.053 4.531
196 HG13 VAL 27 HG13 VAL 27 -13.423 2.686 5.185
197 HG21 VAL 27 HG21 VAL 27 -11.284 0.388 3.320
198 HG22 VAL 27 HG22 VAL 27 -10.065 1.291 4.219
199 HG23 VAL 27 HG23 VAL 27 -10.303 1.604 2.500
200 H GLU 28 H GLU 28 -12.485 4.856 3.907
201 HA GLU 28 HA GLU 28 -15.243 5.412 4.411
202 HB2 GLU 28 HB3 GLU 28 -12.759 6.329 5.211
203 HB3 GLU 28 HB2 GLU 28 -13.400 7.705 4.311
204 HG2 GLU 28 HG3 GLU 28 -14.955 6.251 6.467
205 HG3 GLU 28 HG2 GLU 28 -13.994 7.700 6.768
206 H GLY 29 H GLY 29 -16.697 5.877 2.795
207 HA2 GLY 29 HA3 GLY 29 -16.039 6.769 0.184
208 HA3 GLY 29 HA2 GLY 29 -17.641 6.903 0.909
209 H ASN 30 H ASN 30 -17.763 8.735 2.634
210 HA ASN 30 HA ASN 30 -17.634 11.041 3.100
211 HB2 ASN 30 HB3 ASN 30 -15.042 9.997 2.822
212 HB3 ASN 30 HB2 ASN 30 -15.032 11.475 1.860
213 HD21 ASN 30 HD22 ASN 30 -13.748 10.951 4.546
214 HD22 ASN 30 HD21 ASN 30 -14.379 12.140 5.579
215 H ASP 31 H ASP 31 -19.243 11.663 1.574
216 HA ASP 31 HA ASP 31 -19.116 11.925 -1.193
217 HB2 ASP 31 HB3 ASP 31 -20.596 13.028 1.040
218 HB3 ASP 31 HB2 ASP 31 -20.399 14.245 -0.220
219 HA PRO 32 HA PRO 32 -17.059 16.241 -0.808
220 HB2 PRO 32 HB2 PRO 32 -16.040 16.959 1.633
221 HB3 PRO 32 HB3 PRO 32 -17.701 17.328 1.131
222 HG2 PRO 32 HG3 PRO 32 -16.698 15.163 2.906
223 HG3 PRO 32 HG2 PRO 32 -18.163 16.148 3.042
224 HD2 PRO 32 HD3 PRO 32 -18.153 13.590 2.114
225 HD3 PRO 32 HD2 PRO 32 -19.356 14.802 1.625
226 H ILE 33 H ILE 33 -14.593 16.885 0.480
227 HA ILE 33 HA ILE 33 -12.653 15.465 -0.883
228 HB ILE 33 HB ILE 33 -12.334 17.527 0.452
229 HG12 ILE 33 HG13 ILE 33 -10.413 15.582 1.668
230 HG13 ILE 33 HG12 ILE 33 -10.472 15.695 -0.092
231 HG21 ILE 33 HG21 ILE 33 -13.678 16.462 2.427
232 HG22 ILE 33 HG22 ILE 33 -12.346 17.558 2.797
233 HG23 ILE 33 HG23 ILE 33 -12.112 15.814 2.918
234 HD11 ILE 33 HD11 ILE 33 -9.626 17.743 1.913
235 HD12 ILE 33 HD12 ILE 33 -10.417 18.309 0.441
236 HD13 ILE 33 HD13 ILE 33 -8.933 17.363 0.337
237 H ASN 34 H ASN 34 -12.343 13.278 -0.939
238 HA ASN 34 HA ASN 34 -12.532 11.753 1.639
239 HB2 ASN 34 HB3 ASN 34 -13.203 9.857 0.161
240 HB3 ASN 34 HB2 ASN 34 -14.301 11.230 0.021
241 HD21 ASN 34 HD22 ASN 34 -12.496 9.046 -1.818
242 HD22 ASN 34 HD21 ASN 34 -12.431 9.926 -3.268
243 H SER 35 H SER 35 -10.141 12.492 1.739
244 HA SER 35 HA SER 35 -8.396 10.790 0.002
245 HB2 SER 35 HB3 SER 35 -6.738 12.520 1.276
246 HB3 SER 35 HB2 SER 35 -7.553 12.912 -0.233
247 HG SER 35 HG SER 35 -7.788 14.450 1.564
248 H ALA 36 H ALA 36 -9.915 10.333 2.780
249 HA ALA 36 HA ALA 36 -7.721 9.729 4.598
250 HB1 ALA 36 HB1 ALA 36 -9.523 9.071 6.066
251 HB2 ALA 36 HB2 ALA 36 -10.636 8.928 4.706
252 HB3 ALA 36 HB3 ALA 36 -10.045 10.515 5.197
253 H TYR 37 H TYR 37 -6.750 8.280 2.757
254 HA TYR 37 HA TYR 37 -7.791 5.489 3.119
255 HB2 TYR 37 HB3 TYR 37 -6.572 6.796 0.663
256 HB3 TYR 37 HB2 TYR 37 -7.089 5.114 0.767
257 HD1 TYR 37 HD1 TYR 37 -9.606 5.442 2.379
258 HD2 TYR 37 HD2 TYR 37 -8.066 7.699 -0.937
259 HE1 TYR 37 HE1 TYR 37 -11.911 6.116 1.766
260 HE2 TYR 37 HE2 TYR 37 -10.373 8.372 -1.548
261 HH TYR 37 HH TYR 37 -13.132 6.884 -0.228
262 H HIS 38 H HIS 38 -6.076 3.827 2.954
263 HA HIS 38 HA HIS 38 -3.337 4.895 3.528
264 HB2 HIS 38 HB3 HIS 38 -3.444 2.548 4.898
265 HB3 HIS 38 HB2 HIS 38 -3.843 4.102 5.618
266 HD1 HIS 38 HD1 HIS 38 -5.271 0.826 4.754
267 HD2 HIS 38 HD2 HIS 38 -6.753 4.623 5.630
268 HE1 HIS 38 HE1 HIS 38 -7.732 0.533 5.273
269 H TYR 39 H TYR 39 -1.658 3.070 3.208
270 HA TYR 39 HA TYR 39 -2.256 1.709 0.628
271 HB2 TYR 39 HB3 TYR 39 0.046 2.895 2.012
272 HB3 TYR 39 HB2 TYR 39 0.422 1.340 1.269
273 HD1 TYR 39 HD2 TYR 39 0.260 1.019 -1.149
274 HD2 TYR 39 HD1 TYR 39 -0.648 4.810 0.656
275 HE1 TYR 39 HE2 TYR 39 0.345 2.102 -3.379
276 HE2 TYR 39 HE1 TYR 39 -0.562 5.891 -1.573
277 HH TYR 39 HH TYR 39 -0.936 4.989 -4.069
278 H ARG 40 H ARG 40 -2.229 -0.532 0.444
279 HA ARG 40 HA ARG 40 -1.396 -2.149 2.816
280 HB2 ARG 40 HB3 ARG 40 -3.545 -3.425 2.531
281 HB3 ARG 40 HB2 ARG 40 -3.793 -1.749 3.016
282 HG2 ARG 40 HG3 ARG 40 -4.598 -1.119 0.932
283 HG3 ARG 40 HG2 ARG 40 -3.724 -2.398 0.092
284 HD2 ARG 40 HD3 ARG 40 -5.331 -3.960 1.552
285 HD3 ARG 40 HD2 ARG 40 -6.364 -2.518 1.486
286 HE ARG 40 HE ARG 40 -5.163 -3.275 -1.085
287 HH11 ARG 40 HH22 ARG 40 -7.091 -5.362 0.281
288 HH12 ARG 40 HH21 ARG 40 -8.551 -4.997 -0.579
289 HH21 ARG 40 HH11 ARG 40 -7.361 -2.003 -1.861
290 HH22 ARG 40 HH12 ARG 40 -8.703 -3.096 -1.792
291 H CYS 41 H CYS 41 -1.301 -4.538 2.162
292 HA CYS 41 HA CYS 41 -0.331 -4.758 -0.651
293 HB2 CYS 41 HB3 CYS 41 0.347 -6.972 1.116
294 HB3 CYS 41 HB2 CYS 41 1.404 -5.887 0.238
295 H VAL 42 H VAL 42 -1.479 -6.101 -2.027
296 HA VAL 42 HA VAL 42 -3.528 -7.900 -0.796
297 HB VAL 42 HB VAL 42 -4.768 -7.382 -2.904
298 HG11 VAL 42 HG11 VAL 42 -3.937 -4.894 -1.403
299 HG12 VAL 42 HG12 VAL 42 -5.065 -6.088 -0.762
300 HG13 VAL 42 HG13 VAL 42 -5.475 -5.179 -2.216
301 HG21 VAL 42 HG21 VAL 42 -3.948 -5.974 -4.538
302 HG22 VAL 42 HG22 VAL 42 -2.428 -6.668 -3.972
303 HG23 VAL 42 HG23 VAL 42 -2.940 -5.080 -3.400
304 H CYS 43 H CYS 43 -3.916 -9.897 -1.935
305 HA CYS 43 HA CYS 43 -1.812 -10.693 -3.875
306 HB2 CYS 43 HB3 CYS 43 -1.582 -11.506 -1.462
307 HB3 CYS 43 HB2 CYS 43 -3.035 -12.461 -1.753
308 H HIS 44 H HIS 44 -3.177 -10.571 -5.713
309 HA HIS 44 HA HIS 44 -5.659 -12.256 -5.625
310 HB2 HIS 44 HB3 HIS 44 -4.893 -9.956 -7.452
311 HB3 HIS 44 HB2 HIS 44 -6.455 -10.771 -7.413
312 HD1 HIS 44 HD1 HIS 44 -6.326 -7.754 -6.824
313 HD2 HIS 44 HD2 HIS 44 -6.118 -10.681 -3.862
314 HE1 HIS 44 HE1 HIS 44 -7.042 -6.640 -4.664
315 H ARG 45 H ARG 45 -6.160 -13.113 -7.957
316 HA ARG 45 HA ARG 45 -3.833 -14.643 -8.845
317 HB2 ARG 45 HB3 ARG 45 -6.714 -14.527 -9.784
318 HB3 ARG 45 HB2 ARG 45 -5.543 -15.761 -10.246
319 HG2 ARG 45 HG3 ARG 45 -5.593 -16.784 -8.183
320 HG3 ARG 45 HG2 ARG 45 -5.942 -15.280 -7.329
321 HD2 ARG 45 HD3 ARG 45 -8.051 -16.199 -7.183
322 HD3 ARG 45 HD2 ARG 45 -8.214 -15.534 -8.821
323 HE ARG 45 HE ARG 45 -7.182 -18.309 -8.381
324 HH11 ARG 45 HH22 ARG 45 -7.310 -17.158 -11.147
325 HH12 ARG 45 HH21 ARG 45 -8.823 -17.771 -11.724
326 HH21 ARG 45 HH11 ARG 45 -9.987 -18.612 -8.567
327 HH22 ARG 45 HH12 ARG 45 -10.340 -18.593 -10.264
Start of MODEL 17
1 H1 ILE 1 H1 ILE 1 4.566 10.557 -8.638
2 H2 ILE 1 H2 ILE 1 5.661 11.704 -9.246
3 H3 ILE 1 H3 ILE 1 4.614 12.118 -7.974
4 HA ILE 1 HA ILE 1 6.660 11.753 -6.913
5 HB ILE 1 HB ILE 1 4.980 9.222 -6.879
6 HG12 ILE 1 HG13 ILE 1 3.653 11.262 -6.482
7 HG13 ILE 1 HG12 ILE 1 3.811 10.329 -4.995
8 HG21 ILE 1 HG21 ILE 1 7.197 10.266 -5.167
9 HG22 ILE 1 HG22 ILE 1 6.806 8.604 -5.606
10 HG23 ILE 1 HG23 ILE 1 5.862 9.434 -4.370
11 HD11 ILE 1 HD11 ILE 1 5.761 11.796 -4.368
12 HD12 ILE 1 HD12 ILE 1 4.223 12.655 -4.460
13 HD13 ILE 1 HD13 ILE 1 5.392 12.796 -5.773
14 H GLY 2 H GLY 2 7.635 11.478 -9.439
15 HA2 GLY 2 HA3 GLY 2 9.336 10.412 -10.655
16 HA3 GLY 2 HA2 GLY 2 9.710 9.530 -9.173
17 H SER 3 H SER 3 8.978 7.420 -8.955
18 HA SER 3 HA SER 3 7.589 6.269 -11.345
19 HB2 SER 3 HB3 SER 3 8.779 4.254 -10.800
20 HB3 SER 3 HB2 SER 3 9.938 5.569 -10.631
21 HG SER 3 HG SER 3 9.772 5.443 -8.457
22 H THR 4 H THR 4 6.821 3.842 -10.118
23 HA THR 4 HA THR 4 4.353 4.616 -8.816
24 HB THR 4 HB THR 4 5.749 1.986 -9.246
25 HG1 THR 4 HG1 THR 4 5.181 2.740 -11.179
26 HG21 THR 4 HG21 THR 4 4.188 1.655 -7.454
27 HG22 THR 4 HG22 THR 4 3.418 1.042 -8.918
28 HG23 THR 4 HG23 THR 4 2.960 2.619 -8.275
29 H ALA 5 H ALA 5 3.717 3.657 -6.653
30 HA ALA 5 HA ALA 5 5.369 4.517 -4.529
31 HB1 ALA 5 HB1 ALA 5 3.599 2.245 -3.946
32 HB2 ALA 5 HB2 ALA 5 2.825 3.508 -4.904
33 HB3 ALA 5 HB3 ALA 5 3.533 3.899 -3.337
34 HA PRO 6 HA PRO 6 8.225 1.267 -3.740
35 HB2 PRO 6 HB2 PRO 6 7.892 0.657 -1.088
36 HB3 PRO 6 HB3 PRO 6 8.681 2.147 -1.646
37 HG2 PRO 6 HG3 PRO 6 5.883 1.729 -0.701
38 HG3 PRO 6 HG2 PRO 6 7.000 3.062 -0.361
39 HD2 PRO 6 HD3 PRO 6 5.006 3.266 -2.174
40 HD3 PRO 6 HD2 PRO 6 6.555 4.122 -2.357
41 H THR 7 H THR 7 4.879 0.754 -3.344
42 HA THR 7 HA THR 7 3.509 -1.138 -3.377
43 HB THR 7 HB THR 7 5.039 -2.990 -4.693
44 HG1 THR 7 HG1 THR 7 6.259 -1.738 -6.173
45 HG21 THR 7 HG21 THR 7 2.815 -1.686 -5.192
46 HG22 THR 7 HG22 THR 7 3.721 -2.441 -6.504
47 HG23 THR 7 HG23 THR 7 3.871 -0.708 -6.211
48 H CYS 8 H CYS 8 3.047 -2.613 -1.844
49 HA CYS 8 HA CYS 8 4.855 -3.413 0.193
50 HB2 CYS 8 HB3 CYS 8 2.285 -4.623 -0.869
51 HB3 CYS 8 HB2 CYS 8 3.057 -5.141 0.625
52 H THR 9 H THR 9 6.765 -4.329 -0.648
53 HA THR 9 HA THR 9 7.328 -5.890 -2.778
54 HB THR 9 HB THR 9 8.979 -7.053 -1.300
55 HG1 THR 9 HG1 THR 9 8.590 -7.201 0.751
56 HG21 THR 9 HG21 THR 9 10.205 -5.127 -0.948
57 HG22 THR 9 HG22 THR 9 8.834 -4.256 -0.261
58 HG23 THR 9 HG23 THR 9 8.952 -4.479 -2.006
59 H TYR 10 H TYR 10 6.576 -7.743 -3.650
60 HA TYR 10 HA TYR 10 4.333 -9.162 -2.985
61 HB2 TYR 10 HB3 TYR 10 5.417 -9.557 -5.052
62 HB3 TYR 10 HB2 TYR 10 6.953 -9.936 -4.280
63 HD1 TYR 10 HD1 TYR 10 7.173 -12.100 -2.968
64 HD2 TYR 10 HD2 TYR 10 3.808 -11.251 -5.500
65 HE1 TYR 10 HE1 TYR 10 6.601 -14.512 -3.016
66 HE2 TYR 10 HE2 TYR 10 3.236 -13.663 -5.544
67 HH TYR 10 HH TYR 10 3.764 -15.711 -3.790
68 H ASN 11 H ASN 11 7.487 -9.569 -1.406
69 HA ASN 11 HA ASN 11 6.966 -12.102 -0.170
70 HB2 ASN 11 HB3 ASN 11 8.856 -9.844 0.033
71 HB3 ASN 11 HB2 ASN 11 8.634 -10.727 1.544
72 HD21 ASN 11 HD22 ASN 11 8.532 -13.316 1.016
73 HD22 ASN 11 HD21 ASN 11 9.809 -13.858 0.038
74 H GLU 12 H GLU 12 5.696 -8.948 0.411
75 HA GLU 12 HA GLU 12 5.130 -9.069 3.181
76 HB2 GLU 12 HB3 GLU 12 3.704 -7.851 0.801
77 HB3 GLU 12 HB2 GLU 12 3.201 -7.545 2.463
78 HG2 GLU 12 HG3 GLU 12 5.971 -6.989 1.353
79 HG3 GLU 12 HG2 GLU 12 4.722 -5.773 1.624
80 H CYS 13 H CYS 13 3.570 -10.509 0.382
81 HA CYS 13 HA CYS 13 1.340 -11.630 1.963
82 HB2 CYS 13 HB3 CYS 13 0.426 -12.040 -0.174
83 HB3 CYS 13 HB2 CYS 13 1.384 -10.585 -0.433
84 H ARG 14 H ARG 14 4.326 -12.520 2.193
85 HA ARG 14 HA ARG 14 4.899 -14.994 1.081
86 HB2 ARG 14 HB3 ARG 14 6.205 -13.556 2.733
87 HB3 ARG 14 HB2 ARG 14 5.266 -14.325 4.010
88 HG2 ARG 14 HG3 ARG 14 6.517 -16.145 2.023
89 HG3 ARG 14 HG2 ARG 14 7.617 -15.317 3.125
90 HD2 ARG 14 HD3 ARG 14 6.522 -16.235 5.056
91 HD3 ARG 14 HD2 ARG 14 5.163 -16.826 4.080
92 HE ARG 14 HE ARG 14 6.911 -18.277 2.890
93 HH11 ARG 14 HH11 ARG 14 8.447 -16.693 5.382
94 HH12 ARG 14 HH12 ARG 14 9.037 -18.115 6.176
95 HH21 ARG 14 HH22 ARG 14 7.189 -20.297 4.215
96 HH22 ARG 14 HH21 ARG 14 8.325 -20.156 5.515
97 H GLY 15 H GLY 15 3.427 -16.639 0.836
98 HA2 GLY 15 HA3 GLY 15 2.683 -18.526 2.587
99 HA3 GLY 15 HA2 GLY 15 1.526 -17.264 3.014
100 H CYS 16 H CYS 16 0.496 -16.254 0.880
101 HA CYS 16 HA CYS 16 -1.143 -18.239 -0.326
102 HB2 CYS 16 HB3 CYS 16 -1.785 -16.325 -1.783
103 HB3 CYS 16 HB2 CYS 16 -1.711 -15.865 -0.087
104 H ARG 17 H ARG 17 -1.217 -18.027 -2.990
105 HA ARG 17 HA ARG 17 1.542 -18.518 -4.045
106 HB2 ARG 17 HB3 ARG 17 -0.871 -20.307 -4.472
107 HB3 ARG 17 HB2 ARG 17 0.777 -20.615 -5.017
108 HG2 ARG 17 HG3 ARG 17 1.229 -20.251 -2.375
109 HG3 ARG 17 HG2 ARG 17 -0.408 -20.903 -2.312
110 HD2 ARG 17 HD3 ARG 17 0.888 -22.864 -2.282
111 HD3 ARG 17 HD2 ARG 17 0.570 -22.681 -4.019
112 HE ARG 17 HE ARG 17 2.792 -21.563 -4.205
113 HH11 ARG 17 HH11 ARG 17 3.403 -20.876 -1.430
114 HH12 ARG 17 HH12 ARG 17 4.443 -22.162 -0.914
115 HH21 ARG 17 HH22 ARG 17 3.547 -24.282 -3.509
116 HH22 ARG 17 HH21 ARG 17 4.524 -24.090 -2.091
117 H TYR 18 H TYR 18 0.301 -16.155 -4.648
118 HA TYR 18 HA TYR 18 -0.435 -16.532 -7.510
119 HB2 TYR 18 HB3 TYR 18 -2.096 -15.060 -5.440
120 HB3 TYR 18 HB2 TYR 18 -2.446 -15.117 -7.166
121 HD1 TYR 18 HD1 TYR 18 -2.887 -17.346 -8.266
122 HD2 TYR 18 HD2 TYR 18 -2.709 -16.866 -4.003
123 HE1 TYR 18 HE1 TYR 18 -4.064 -19.506 -7.977
124 HE2 TYR 18 HE2 TYR 18 -3.887 -19.026 -3.712
125 HH TYR 18 HH TYR 18 -5.580 -20.429 -5.310
126 H LYS 19 H LYS 19 -1.266 -13.804 -7.840
127 HA LYS 19 HA LYS 19 1.365 -12.485 -7.875
128 HB2 LYS 19 HB3 LYS 19 -1.379 -11.498 -8.728
129 HB3 LYS 19 HB2 LYS 19 0.179 -10.865 -9.256
130 HG2 LYS 19 HG3 LYS 19 -0.061 -13.754 -9.697
131 HG3 LYS 19 HG2 LYS 19 -1.295 -12.832 -10.557
132 HD2 LYS 19 HD3 LYS 19 0.440 -11.401 -11.549
133 HD3 LYS 19 HD2 LYS 19 1.686 -12.284 -10.663
134 HE2 LYS 19 HE3 LYS 19 0.590 -14.391 -11.849
135 HE3 LYS 19 HE2 LYS 19 0.058 -13.170 -13.022
136 HZ1 LYS 19 HZ1 LYS 19 2.259 -13.957 -13.600
137 HZ2 LYS 19 HZ2 LYS 19 2.839 -13.578 -12.053
138 HZ3 LYS 19 HZ3 LYS 19 2.345 -12.336 -13.101
139 H CYS 20 H CYS 20 1.762 -10.424 -6.805
140 HA CYS 20 HA CYS 20 -0.207 -9.729 -4.655
141 HB2 CYS 20 HB3 CYS 20 2.805 -9.984 -4.397
142 HB3 CYS 20 HB2 CYS 20 1.685 -9.576 -3.098
143 H ARG 21 H ARG 21 -0.269 -7.535 -4.088
144 HA ARG 21 HA ARG 21 1.631 -5.569 -5.126
145 HB2 ARG 21 HB3 ARG 21 -0.427 -6.492 -6.817
146 HB3 ARG 21 HB2 ARG 21 -0.980 -4.932 -6.216
147 HG2 ARG 21 HG3 ARG 21 0.269 -4.236 -8.034
148 HG3 ARG 21 HG2 ARG 21 1.504 -4.201 -6.775
149 HD2 ARG 21 HD3 ARG 21 2.636 -5.987 -7.664
150 HD3 ARG 21 HD2 ARG 21 1.141 -6.817 -8.144
151 HE ARG 21 HE ARG 21 1.104 -4.695 -9.831
152 HH11 ARG 21 HH11 ARG 21 4.037 -4.303 -9.434
153 HH12 ARG 21 HH12 ARG 21 4.714 -5.289 -10.687
154 HH21 ARG 21 HH22 ARG 21 1.790 -7.074 -11.226
155 HH22 ARG 21 HH21 ARG 21 3.442 -6.859 -11.701
156 H ALA 22 H ALA 22 0.643 -3.294 -4.652
157 HA ALA 22 HA ALA 22 -1.249 -3.458 -2.348
158 HB1 ALA 22 HB1 ALA 22 0.262 -2.224 -0.993
159 HB2 ALA 22 HB2 ALA 22 1.233 -1.738 -2.383
160 HB3 ALA 22 HB3 ALA 22 1.275 -3.406 -1.818
161 H GLU 23 H GLU 23 -2.437 -1.467 -2.002
162 HA GLU 23 HA GLU 23 -2.172 0.576 -4.179
163 HB2 GLU 23 HB3 GLU 23 -4.211 -1.429 -3.769
164 HB3 GLU 23 HB2 GLU 23 -4.923 0.176 -3.600
165 HG2 GLU 23 HG3 GLU 23 -5.062 0.015 -5.878
166 HG3 GLU 23 HG2 GLU 23 -3.403 0.605 -5.782
167 H GLN 24 H GLN 24 -2.750 2.682 -3.531
168 HA GLN 24 HA GLN 24 -2.840 3.197 -0.666
169 HB2 GLN 24 HB3 GLN 24 -2.857 5.567 -1.461
170 HB3 GLN 24 HB2 GLN 24 -1.578 4.622 -2.221
171 HG2 GLN 24 HG3 GLN 24 -2.622 4.604 -4.283
172 HG3 GLN 24 HG2 GLN 24 -4.237 4.727 -3.586
173 HE21 GLN 24 HE22 GLN 24 -4.847 6.607 -4.843
174 HE22 GLN 24 HE21 GLN 24 -4.134 8.127 -4.592
175 H VAL 25 H VAL 25 -4.974 1.727 -0.925
176 HA VAL 25 HA VAL 25 -7.424 2.651 -1.871
177 HB VAL 25 HB VAL 25 -7.051 0.475 -0.847
178 HG11 VAL 25 HG11 VAL 25 -7.006 1.664 1.900
179 HG12 VAL 25 HG12 VAL 25 -5.510 1.653 0.968
180 HG13 VAL 25 HG13 VAL 25 -6.333 0.138 1.331
181 HG21 VAL 25 HG21 VAL 25 -8.948 1.901 1.010
182 HG22 VAL 25 HG22 VAL 25 -9.084 0.279 0.331
183 HG23 VAL 25 HG23 VAL 25 -9.329 1.689 -0.699
184 HA PRO 26 HA PRO 26 -7.563 6.365 0.717
185 HB2 PRO 26 HB2 PRO 26 -9.259 7.763 -0.903
186 HB3 PRO 26 HB3 PRO 26 -7.514 7.652 -1.203
187 HG2 PRO 26 HG3 PRO 26 -9.753 6.272 -2.552
188 HG3 PRO 26 HG2 PRO 26 -8.184 6.777 -3.191
189 HD2 PRO 26 HD3 PRO 26 -8.888 4.184 -2.447
190 HD3 PRO 26 HD2 PRO 26 -7.238 4.781 -2.709
191 H VAL 27 H VAL 27 -9.144 6.972 2.232
192 HA VAL 27 HA VAL 27 -11.803 5.598 2.019
193 HB VAL 27 HB VAL 27 -10.122 6.318 4.446
194 HG11 VAL 27 HG11 VAL 27 -12.446 4.432 4.509
195 HG12 VAL 27 HG12 VAL 27 -12.779 6.164 4.492
196 HG13 VAL 27 HG13 VAL 27 -11.808 5.467 5.787
197 HG21 VAL 27 HG21 VAL 27 -9.870 3.840 4.640
198 HG22 VAL 27 HG22 VAL 27 -9.132 4.479 3.171
199 HG23 VAL 27 HG23 VAL 27 -10.693 3.662 3.091
200 H GLU 28 H GLU 28 -10.081 8.468 3.254
201 HA GLU 28 HA GLU 28 -12.620 9.908 3.641
202 HB2 GLU 28 HB3 GLU 28 -9.700 10.428 4.216
203 HB3 GLU 28 HB2 GLU 28 -10.935 11.659 4.482
204 HG2 GLU 28 HG3 GLU 28 -11.448 8.944 5.605
205 HG3 GLU 28 HG2 GLU 28 -10.229 9.936 6.406
206 H GLY 29 H GLY 29 -12.156 9.293 0.929
207 HA2 GLY 29 HA3 GLY 29 -12.098 10.327 -1.177
208 HA3 GLY 29 HA2 GLY 29 -12.377 11.846 -0.322
209 H ASN 30 H ASN 30 -10.846 13.215 -1.161
210 HA ASN 30 HA ASN 30 -8.072 12.867 -0.462
211 HB2 ASN 30 HB3 ASN 30 -7.238 12.607 -2.803
212 HB3 ASN 30 HB2 ASN 30 -8.213 11.232 -2.283
213 HD21 ASN 30 HD22 ASN 30 -9.691 10.602 -3.850
214 HD22 ASN 30 HD21 ASN 30 -10.443 11.641 -4.962
215 H ASP 31 H ASP 31 -10.309 14.895 -0.493
216 HA ASP 31 HA ASP 31 -9.502 16.973 -2.359
217 HB2 ASP 31 HB3 ASP 31 -11.568 16.439 -0.331
218 HB3 ASP 31 HB2 ASP 31 -11.113 18.139 -0.463
219 HA PRO 32 HA PRO 32 -7.818 19.057 1.587
220 HB2 PRO 32 HB2 PRO 32 -7.711 17.607 3.905
221 HB3 PRO 32 HB3 PRO 32 -9.122 18.573 3.431
222 HG2 PRO 32 HG3 PRO 32 -8.691 15.641 3.252
223 HG3 PRO 32 HG2 PRO 32 -10.164 16.547 3.626
224 HD2 PRO 32 HD3 PRO 32 -9.622 15.412 1.189
225 HD3 PRO 32 HD2 PRO 32 -10.721 16.787 1.429
226 H ILE 33 H ILE 33 -5.912 18.240 3.433
227 HA ILE 33 HA ILE 33 -3.635 17.604 1.931
228 HB ILE 33 HB ILE 33 -3.657 18.518 4.213
229 HG12 ILE 33 HG13 ILE 33 -2.263 15.825 4.223
230 HG13 ILE 33 HG12 ILE 33 -1.659 17.230 3.344
231 HG21 ILE 33 HG21 ILE 33 -5.111 15.993 4.730
232 HG22 ILE 33 HG22 ILE 33 -5.222 17.548 5.554
233 HG23 ILE 33 HG23 ILE 33 -3.919 16.430 5.953
234 HD11 ILE 33 HD11 ILE 33 -2.081 16.992 6.334
235 HD12 ILE 33 HD12 ILE 33 -1.704 18.509 5.518
236 HD13 ILE 33 HD13 ILE 33 -0.546 17.179 5.487
237 H ASN 34 H ASN 34 -2.292 15.558 2.103
238 HA ASN 34 HA ASN 34 -4.017 13.194 1.582
239 HB2 ASN 34 HB3 ASN 34 -1.920 12.313 0.586
240 HB3 ASN 34 HB2 ASN 34 -2.329 13.897 -0.070
241 HD21 ASN 34 HD22 ASN 34 -0.589 15.318 -0.116
242 HD22 ASN 34 HD21 ASN 34 0.741 15.272 0.939
243 H SER 35 H SER 35 -3.484 14.177 4.361
244 HA SER 35 HA SER 35 -1.527 12.606 5.707
245 HB2 SER 35 HB3 SER 35 -3.704 14.368 6.291
246 HB3 SER 35 HB2 SER 35 -3.828 12.965 7.344
247 HG SER 35 HG SER 35 -1.519 14.569 6.933
248 H ALA 36 H ALA 36 -5.050 11.993 5.476
249 HA ALA 36 HA ALA 36 -4.986 9.354 6.555
250 HB1 ALA 36 HB1 ALA 36 -6.979 10.152 4.475
251 HB2 ALA 36 HB2 ALA 36 -6.881 11.137 5.936
252 HB3 ALA 36 HB3 ALA 36 -7.247 9.416 6.056
253 H TYR 37 H TYR 37 -6.398 7.915 4.512
254 HA TYR 37 HA TYR 37 -6.005 6.503 2.656
255 HB2 TYR 37 HB3 TYR 37 -3.861 8.453 1.808
256 HB3 TYR 37 HB2 TYR 37 -4.964 7.527 0.795
257 HD1 TYR 37 HD2 TYR 37 -7.571 8.019 2.042
258 HD2 TYR 37 HD1 TYR 37 -4.304 10.720 1.362
259 HE1 TYR 37 HE2 TYR 37 -9.154 9.927 2.029
260 HE2 TYR 37 HE1 TYR 37 -5.886 12.630 1.350
261 HH TYR 37 HH TYR 37 -9.388 12.126 1.553
262 H HIS 38 H HIS 38 -4.941 4.609 3.024
263 HA HIS 38 HA HIS 38 -2.047 4.730 3.783
264 HB2 HIS 38 HB3 HIS 38 -2.832 2.419 4.857
265 HB3 HIS 38 HB2 HIS 38 -3.033 3.935 5.723
266 HD1 HIS 38 HD1 HIS 38 -4.916 1.168 4.122
267 HD2 HIS 38 HD2 HIS 38 -5.765 4.944 5.671
268 HE1 HIS 38 HE1 HIS 38 -7.432 1.286 4.382
269 H TYR 39 H TYR 39 -1.047 2.438 3.367
270 HA TYR 39 HA TYR 39 -1.904 1.543 0.633
271 HB2 TYR 39 HB3 TYR 39 0.621 2.263 1.917
272 HB3 TYR 39 HB2 TYR 39 0.708 0.667 1.175
273 HD1 TYR 39 HD1 TYR 39 -0.188 0.450 -1.262
274 HD2 TYR 39 HD2 TYR 39 0.833 4.188 0.592
275 HE1 TYR 39 HE1 TYR 39 0.022 1.504 -3.497
276 HE2 TYR 39 HE2 TYR 39 1.043 5.242 -1.642
277 HH TYR 39 HH TYR 39 1.400 4.640 -3.931
278 H ARG 40 H ARG 40 -2.541 -0.580 0.449
279 HA ARG 40 HA ARG 40 -2.002 -2.408 2.769
280 HB2 ARG 40 HB3 ARG 40 -4.199 -3.474 1.938
281 HB3 ARG 40 HB2 ARG 40 -4.329 -1.896 2.711
282 HG2 ARG 40 HG3 ARG 40 -4.654 -0.781 0.664
283 HG3 ARG 40 HG2 ARG 40 -3.988 -2.117 -0.274
284 HD2 ARG 40 HD3 ARG 40 -6.066 -3.399 0.897
285 HD3 ARG 40 HD2 ARG 40 -6.736 -1.758 0.807
286 HE ARG 40 HE ARG 40 -5.426 -2.400 -1.668
287 HH11 ARG 40 HH22 ARG 40 -8.392 -1.791 -0.305
288 HH12 ARG 40 HH21 ARG 40 -9.318 -2.732 -1.426
289 HH21 ARG 40 HH11 ARG 40 -6.539 -4.186 -2.906
290 HH22 ARG 40 HH12 ARG 40 -8.269 -4.088 -2.899
291 H CYS 41 H CYS 41 -1.326 -4.524 2.260
292 HA CYS 41 HA CYS 41 -0.348 -4.933 -0.513
293 HB2 CYS 41 HB3 CYS 41 0.196 -6.874 1.688
294 HB3 CYS 41 HB2 CYS 41 1.289 -6.205 0.492
295 H VAL 42 H VAL 42 -1.573 -6.240 -1.871
296 HA VAL 42 HA VAL 42 -3.391 -8.238 -0.585
297 HB VAL 42 HB VAL 42 -4.787 -7.766 -2.633
298 HG11 VAL 42 HG11 VAL 42 -5.710 -6.678 -0.836
299 HG12 VAL 42 HG12 VAL 42 -5.198 -5.258 -1.748
300 HG13 VAL 42 HG13 VAL 42 -4.199 -5.866 -0.428
301 HG21 VAL 42 HG21 VAL 42 -2.697 -6.730 -3.806
302 HG22 VAL 42 HG22 VAL 42 -3.154 -5.263 -2.940
303 HG23 VAL 42 HG23 VAL 42 -4.277 -5.997 -4.085
304 H CYS 43 H CYS 43 -3.673 -10.223 -1.742
305 HA CYS 43 HA CYS 43 -1.584 -10.814 -3.772
306 HB2 CYS 43 HB3 CYS 43 -1.231 -11.809 -1.537
307 HB3 CYS 43 HB2 CYS 43 -2.816 -12.569 -1.633
308 H HIS 44 H HIS 44 -2.865 -10.658 -5.658
309 HA HIS 44 HA HIS 44 -5.332 -12.366 -5.735
310 HB2 HIS 44 HB3 HIS 44 -4.534 -9.972 -7.423
311 HB3 HIS 44 HB2 HIS 44 -6.081 -10.812 -7.485
312 HD1 HIS 44 HD1 HIS 44 -6.500 -11.152 -4.405
313 HD2 HIS 44 HD2 HIS 44 -5.419 -7.576 -6.257
314 HE1 HIS 44 HE1 HIS 44 -7.196 -9.292 -2.832
315 H ARG 45 H ARG 45 -5.730 -13.122 -8.120
316 HA ARG 45 HA ARG 45 -3.367 -14.601 -8.978
317 HB2 ARG 45 HB3 ARG 45 -5.639 -15.566 -8.884
318 HB3 ARG 45 HB2 ARG 45 -6.183 -14.393 -10.084
319 HG2 ARG 45 HG3 ARG 45 -3.785 -15.954 -10.845
320 HG3 ARG 45 HG2 ARG 45 -5.277 -16.885 -10.712
321 HD2 ARG 45 HD3 ARG 45 -6.355 -15.638 -12.398
322 HD3 ARG 45 HD2 ARG 45 -5.228 -14.276 -12.236
323 HE ARG 45 HE ARG 45 -4.649 -16.839 -13.608
324 HH11 ARG 45 HH22 ARG 45 -4.249 -13.682 -14.123
325 HH12 ARG 45 HH21 ARG 45 -2.526 -13.681 -14.299
326 HH21 ARG 45 HH11 ARG 45 -2.135 -16.905 -13.080
327 HH22 ARG 45 HH12 ARG 45 -1.329 -15.506 -13.709
Start of MODEL 18
1 H1 ILE 1 H1 ILE 1 4.322 4.444 -12.272
2 H2 ILE 1 H2 ILE 1 4.577 6.120 -12.379
3 H3 ILE 1 H3 ILE 1 3.057 5.517 -11.925
4 HA ILE 1 HA ILE 1 3.899 4.710 -9.846
5 HB ILE 1 HB ILE 1 6.351 5.033 -9.404
6 HG12 ILE 1 HG13 ILE 1 6.838 5.385 -12.323
7 HG13 ILE 1 HG12 ILE 1 6.314 6.811 -11.427
8 HG21 ILE 1 HG21 ILE 1 6.042 3.459 -11.951
9 HG22 ILE 1 HG22 ILE 1 5.234 2.934 -10.474
10 HG23 ILE 1 HG23 ILE 1 6.992 3.069 -10.517
11 HD11 ILE 1 HD11 ILE 1 8.142 6.211 -9.724
12 HD12 ILE 1 HD12 ILE 1 8.686 6.838 -11.280
13 HD13 ILE 1 HD13 ILE 1 8.763 5.107 -10.951
14 H GLY 2 H GLY 2 5.247 6.311 -8.162
15 HA2 GLY 2 HA3 GLY 2 5.717 8.736 -7.770
16 HA3 GLY 2 HA2 GLY 2 4.321 9.086 -8.792
17 H SER 3 H SER 3 4.557 10.053 -6.128
18 HA SER 3 HA SER 3 3.335 10.161 -4.105
19 HB2 SER 3 HB3 SER 3 1.530 9.131 -6.251
20 HB3 SER 3 HB2 SER 3 0.928 9.084 -4.597
21 HG SER 3 HG SER 3 1.745 11.290 -6.154
22 H THR 4 H THR 4 4.817 8.580 -3.080
23 HA THR 4 HA THR 4 5.255 6.600 -1.877
24 HB THR 4 HB THR 4 2.263 6.785 -1.975
25 HG1 THR 4 HG1 THR 4 3.282 8.348 -0.768
26 HG21 THR 4 HG21 THR 4 2.262 5.121 -0.098
27 HG22 THR 4 HG22 THR 4 3.968 4.818 -0.431
28 HG23 THR 4 HG23 THR 4 2.750 4.428 -1.644
29 H ALA 5 H ALA 5 6.291 5.260 -3.417
30 HA ALA 5 HA ALA 5 4.478 3.431 -4.948
31 HB1 ALA 5 HB1 ALA 5 5.988 3.571 -6.731
32 HB2 ALA 5 HB2 ALA 5 7.321 4.064 -5.686
33 HB3 ALA 5 HB3 ALA 5 6.031 5.204 -6.068
34 HA PRO 6 HA PRO 6 7.877 1.038 -2.507
35 HB2 PRO 6 HB2 PRO 6 7.038 0.943 0.089
36 HB3 PRO 6 HB3 PRO 6 8.163 2.180 -0.504
37 HG2 PRO 6 HG3 PRO 6 5.247 2.375 0.034
38 HG3 PRO 6 HG2 PRO 6 6.528 3.567 0.301
39 HD2 PRO 6 HD3 PRO 6 4.788 3.636 -1.809
40 HD3 PRO 6 HD2 PRO 6 6.412 4.359 -1.826
41 H THR 7 H THR 7 6.031 -0.006 -4.037
42 HA THR 7 HA THR 7 3.702 -1.242 -3.214
43 HB THR 7 HB THR 7 5.154 -3.224 -4.596
44 HG1 THR 7 HG1 THR 7 6.479 -2.181 -5.903
45 HG21 THR 7 HG21 THR 7 3.949 -2.028 -6.595
46 HG22 THR 7 HG22 THR 7 3.224 -1.053 -5.318
47 HG23 THR 7 HG23 THR 7 2.996 -2.801 -5.328
48 H CYS 8 H CYS 8 3.166 -2.791 -1.736
49 HA CYS 8 HA CYS 8 4.965 -3.724 0.256
50 HB2 CYS 8 HB3 CYS 8 2.321 -4.785 -0.790
51 HB3 CYS 8 HB2 CYS 8 3.083 -5.357 0.689
52 H THR 9 H THR 9 6.793 -4.810 -0.493
53 HA THR 9 HA THR 9 7.251 -6.339 -2.709
54 HB THR 9 HB THR 9 8.872 -7.585 -1.282
55 HG1 THR 9 HG1 THR 9 7.516 -6.281 0.839
56 HG21 THR 9 HG21 THR 9 8.888 -4.857 -0.092
57 HG22 THR 9 HG22 THR 9 8.884 -4.949 -1.853
58 HG23 THR 9 HG23 THR 9 10.173 -5.724 -0.934
59 H TYR 10 H TYR 10 6.372 -8.149 -3.583
60 HA TYR 10 HA TYR 10 4.049 -9.400 -2.881
61 HB2 TYR 10 HB3 TYR 10 4.625 -10.901 -4.548
62 HB3 TYR 10 HB2 TYR 10 5.858 -9.676 -4.830
63 HD1 TYR 10 HD1 TYR 10 5.169 -13.027 -3.477
64 HD2 TYR 10 HD2 TYR 10 8.189 -10.057 -4.185
65 HE1 TYR 10 HE1 TYR 10 6.929 -14.712 -3.025
66 HE2 TYR 10 HE2 TYR 10 9.950 -11.743 -3.736
67 HH TYR 10 HH TYR 10 9.576 -14.416 -2.152
68 H ASN 11 H ASN 11 7.178 -10.041 -1.351
69 HA ASN 11 HA ASN 11 6.582 -12.534 -0.109
70 HB2 ASN 11 HB3 ASN 11 8.717 -10.880 -0.274
71 HB3 ASN 11 HB2 ASN 11 8.164 -10.468 1.351
72 HD21 ASN 11 HD22 ASN 11 8.483 -12.020 3.024
73 HD22 ASN 11 HD21 ASN 11 9.233 -13.522 2.770
74 H GLU 12 H GLU 12 5.396 -9.334 0.477
75 HA GLU 12 HA GLU 12 4.714 -9.477 3.208
76 HB2 GLU 12 HB3 GLU 12 3.443 -8.175 0.788
77 HB3 GLU 12 HB2 GLU 12 2.856 -7.883 2.425
78 HG2 GLU 12 HG3 GLU 12 5.696 -7.393 1.470
79 HG3 GLU 12 HG2 GLU 12 4.477 -6.146 1.725
80 H CYS 13 H CYS 13 3.239 -10.878 0.348
81 HA CYS 13 HA CYS 13 0.904 -11.917 1.834
82 HB2 CYS 13 HB3 CYS 13 0.072 -12.345 -0.330
83 HB3 CYS 13 HB2 CYS 13 1.081 -10.925 -0.583
84 H ARG 14 H ARG 14 3.854 -12.852 2.217
85 HA ARG 14 HA ARG 14 4.457 -15.351 1.204
86 HB2 ARG 14 HB3 ARG 14 5.759 -13.995 2.841
87 HB3 ARG 14 HB2 ARG 14 4.631 -14.482 4.105
88 HG2 ARG 14 HG3 ARG 14 5.881 -16.641 2.465
89 HG3 ARG 14 HG2 ARG 14 6.896 -15.830 3.658
90 HD2 ARG 14 HD3 ARG 14 5.971 -17.159 5.244
91 HD3 ARG 14 HD2 ARG 14 4.419 -16.347 4.951
92 HE ARG 14 HE ARG 14 3.755 -18.196 3.626
93 HH11 ARG 14 HH11 ARG 14 6.344 -19.216 5.316
94 HH12 ARG 14 HH12 ARG 14 6.974 -20.309 4.128
95 HH21 ARG 14 HH22 ARG 14 4.909 -19.158 1.590
96 HH22 ARG 14 HH21 ARG 14 6.161 -20.275 2.018
97 H GLY 15 H GLY 15 2.994 -16.980 0.885
98 HA2 GLY 15 HA3 GLY 15 2.096 -18.840 2.583
99 HA3 GLY 15 HA2 GLY 15 0.937 -17.555 2.937
100 H CYS 16 H CYS 16 -0.032 -16.557 0.824
101 HA CYS 16 HA CYS 16 -1.524 -18.557 -0.552
102 HB2 CYS 16 HB3 CYS 16 -2.184 -16.596 -1.949
103 HB3 CYS 16 HB2 CYS 16 -2.238 -16.235 -0.229
104 H ARG 17 H ARG 17 -1.435 -17.998 -3.242
105 HA ARG 17 HA ARG 17 1.372 -18.309 -4.166
106 HB2 ARG 17 HB3 ARG 17 0.629 -20.557 -3.584
107 HB3 ARG 17 HB2 ARG 17 -0.865 -20.334 -4.493
108 HG2 ARG 17 HG3 ARG 17 0.144 -21.010 -6.382
109 HG3 ARG 17 HG2 ARG 17 1.361 -19.746 -6.212
110 HD2 ARG 17 HD3 ARG 17 1.639 -22.154 -4.457
111 HD3 ARG 17 HD2 ARG 17 2.059 -22.327 -6.173
112 HE ARG 17 HE ARG 17 3.157 -20.006 -4.664
113 HH11 ARG 17 HH22 ARG 17 3.638 -21.696 -7.419
114 HH12 ARG 17 HH21 ARG 17 5.299 -22.102 -7.141
115 HH21 ARG 17 HH11 ARG 17 5.268 -21.077 -3.829
116 HH22 ARG 17 HH12 ARG 17 6.223 -21.750 -5.107
117 H TYR 18 H TYR 18 0.223 -16.060 -4.850
118 HA TYR 18 HA TYR 18 -0.556 -16.414 -7.694
119 HB2 TYR 18 HB3 TYR 18 -2.226 -14.974 -5.606
120 HB3 TYR 18 HB2 TYR 18 -2.562 -14.979 -7.336
121 HD1 TYR 18 HD1 TYR 18 -2.851 -17.265 -8.491
122 HD2 TYR 18 HD2 TYR 18 -3.041 -16.708 -4.238
123 HE1 TYR 18 HE1 TYR 18 -4.060 -19.416 -8.265
124 HE2 TYR 18 HE2 TYR 18 -4.251 -18.858 -4.009
125 HH TYR 18 HH TYR 18 -5.847 -20.298 -6.075
126 H LYS 19 H LYS 19 -1.388 -13.679 -7.993
127 HA LYS 19 HA LYS 19 1.229 -12.356 -8.041
128 HB2 LYS 19 HB3 LYS 19 -1.547 -11.324 -8.722
129 HB3 LYS 19 HB2 LYS 19 -0.014 -10.655 -9.274
130 HG2 LYS 19 HG3 LYS 19 -0.268 -13.513 -9.871
131 HG3 LYS 19 HG2 LYS 19 -1.533 -12.546 -10.629
132 HD2 LYS 19 HD3 LYS 19 0.184 -11.041 -11.572
133 HD3 LYS 19 HD2 LYS 19 1.448 -12.019 -10.824
134 HE2 LYS 19 HE3 LYS 19 0.989 -13.886 -12.226
135 HE3 LYS 19 HE2 LYS 19 -0.579 -13.222 -12.727
136 HZ1 LYS 19 HZ1 LYS 19 0.677 -11.279 -13.620
137 HZ2 LYS 19 HZ2 LYS 19 0.966 -12.730 -14.448
138 HZ3 LYS 19 HZ3 LYS 19 2.116 -12.141 -13.345
139 H CYS 20 H CYS 20 1.779 -10.496 -6.782
140 HA CYS 20 HA CYS 20 -0.151 -9.784 -4.601
141 HB2 CYS 20 HB3 CYS 20 2.840 -10.212 -4.334
142 HB3 CYS 20 HB2 CYS 20 1.708 -9.880 -3.025
143 H ARG 21 H ARG 21 -0.202 -7.610 -4.073
144 HA ARG 21 HA ARG 21 1.882 -5.722 -4.863
145 HB2 ARG 21 HB3 ARG 21 0.450 -6.441 -6.938
146 HB3 ARG 21 HB2 ARG 21 -0.764 -5.395 -6.212
147 HG2 ARG 21 HG3 ARG 21 0.502 -3.471 -6.498
148 HG3 ARG 21 HG2 ARG 21 2.025 -4.359 -6.509
149 HD2 ARG 21 HD3 ARG 21 0.652 -5.379 -8.721
150 HD3 ARG 21 HD2 ARG 21 0.311 -3.638 -8.760
151 HE ARG 21 HE ARG 21 2.909 -3.472 -8.318
152 HH11 ARG 21 HH22 ARG 21 1.825 -3.755 -11.183
153 HH12 ARG 21 HH21 ARG 21 2.892 -4.967 -11.811
154 HH21 ARG 21 HH11 ARG 21 4.050 -5.942 -8.692
155 HH22 ARG 21 HH12 ARG 21 4.151 -6.204 -10.401
156 H ALA 22 H ALA 22 0.970 -3.409 -4.446
157 HA ALA 22 HA ALA 22 -1.117 -3.521 -2.304
158 HB1 ALA 22 HB1 ALA 22 0.316 -2.227 -0.887
159 HB2 ALA 22 HB2 ALA 22 1.420 -1.875 -2.217
160 HB3 ALA 22 HB3 ALA 22 1.326 -3.505 -1.557
161 H GLU 23 H GLU 23 -2.248 -1.472 -2.020
162 HA GLU 23 HA GLU 23 -1.724 0.684 -3.979
163 HB2 GLU 23 HB3 GLU 23 -4.041 0.447 -4.897
164 HB3 GLU 23 HB2 GLU 23 -3.032 -0.960 -5.232
165 HG2 GLU 23 HG3 GLU 23 -4.087 -2.259 -3.556
166 HG3 GLU 23 HG2 GLU 23 -4.804 -0.840 -2.791
167 H GLN 24 H GLN 24 -3.020 2.603 -3.512
168 HA GLN 24 HA GLN 24 -3.442 3.066 -0.704
169 HB2 GLN 24 HB3 GLN 24 -2.734 4.704 -2.498
170 HB3 GLN 24 HB2 GLN 24 -4.396 4.674 -3.090
171 HG2 GLN 24 HG3 GLN 24 -4.696 5.097 -0.360
172 HG3 GLN 24 HG2 GLN 24 -3.276 6.060 -0.769
173 HE21 GLN 24 HE22 GLN 24 -4.269 8.146 -0.758
174 HE22 GLN 24 HE21 GLN 24 -5.508 8.587 -1.830
175 H VAL 25 H VAL 25 -5.069 1.621 0.048
176 HA VAL 25 HA VAL 25 -7.577 1.117 -1.199
177 HB VAL 25 HB VAL 25 -6.553 -0.173 0.651
178 HG11 VAL 25 HG11 VAL 25 -7.437 1.973 2.564
179 HG12 VAL 25 HG12 VAL 25 -5.847 2.072 1.809
180 HG13 VAL 25 HG13 VAL 25 -6.263 0.681 2.812
181 HG21 VAL 25 HG21 VAL 25 -8.726 0.009 2.204
182 HG22 VAL 25 HG22 VAL 25 -8.793 -0.714 0.598
183 HG23 VAL 25 HG23 VAL 25 -9.311 0.955 0.836
184 HA PRO 26 HA PRO 26 -9.351 5.165 -0.539
185 HB2 PRO 26 HB2 PRO 26 -11.838 4.604 -1.533
186 HB3 PRO 26 HB3 PRO 26 -10.430 4.906 -2.570
187 HG2 PRO 26 HG3 PRO 26 -11.689 2.325 -1.791
188 HG3 PRO 26 HG2 PRO 26 -10.990 2.819 -3.341
189 HD2 PRO 26 HD3 PRO 26 -9.705 1.214 -1.544
190 HD3 PRO 26 HD2 PRO 26 -8.865 2.263 -2.707
191 H VAL 27 H VAL 27 -9.566 5.357 1.691
192 HA VAL 27 HA VAL 27 -12.125 4.381 2.858
193 HB VAL 27 HB VAL 27 -9.363 3.939 4.039
194 HG11 VAL 27 HG11 VAL 27 -11.046 2.336 5.426
195 HG12 VAL 27 HG12 VAL 27 -12.138 3.670 5.055
196 HG13 VAL 27 HG13 VAL 27 -10.640 3.974 5.934
197 HG21 VAL 27 HG21 VAL 27 -9.683 2.413 2.196
198 HG22 VAL 27 HG22 VAL 27 -11.338 2.068 2.698
199 HG23 VAL 27 HG23 VAL 27 -9.983 1.505 3.678
200 H GLU 28 H GLU 28 -12.723 5.597 4.782
201 HA GLU 28 HA GLU 28 -12.921 7.575 6.050
202 HB2 GLU 28 HB3 GLU 28 -9.921 7.593 5.565
203 HB3 GLU 28 HB2 GLU 28 -10.764 8.482 6.832
204 HG2 GLU 28 HG3 GLU 28 -11.693 5.897 7.181
205 HG3 GLU 28 HG2 GLU 28 -10.006 5.650 6.731
206 H GLY 29 H GLY 29 -12.907 9.927 5.821
207 HA2 GLY 29 HA3 GLY 29 -13.183 11.875 4.541
208 HA3 GLY 29 HA2 GLY 29 -11.674 11.404 3.761
209 H ASN 30 H ASN 30 -11.801 10.955 1.633
210 HA ASN 30 HA ASN 30 -12.660 10.256 -0.448
211 HB2 ASN 30 HB3 ASN 30 -13.711 8.520 1.231
212 HB3 ASN 30 HB2 ASN 30 -15.198 9.411 0.906
213 HD21 ASN 30 HD22 ASN 30 -14.613 6.635 0.053
214 HD22 ASN 30 HD21 ASN 30 -14.675 6.633 -1.643
215 H ASP 31 H ASP 31 -15.244 11.587 1.593
216 HA ASP 31 HA ASP 31 -16.510 12.966 -0.618
217 HB2 ASP 31 HB3 ASP 31 -16.915 12.472 2.244
218 HB3 ASP 31 HB2 ASP 31 -17.468 14.066 1.731
219 HA PRO 32 HA PRO 32 -14.671 16.886 1.373
220 HB2 PRO 32 HB2 PRO 32 -12.955 16.625 3.488
221 HB3 PRO 32 HB3 PRO 32 -14.713 16.761 3.686
222 HG2 PRO 32 HG3 PRO 32 -12.977 14.352 3.797
223 HG3 PRO 32 HG2 PRO 32 -14.408 14.760 4.756
224 HD2 PRO 32 HD3 PRO 32 -14.421 13.009 2.651
225 HD3 PRO 32 HD2 PRO 32 -15.846 13.915 3.201
226 H ILE 33 H ILE 33 -12.038 17.555 2.037
227 HA ILE 33 HA ILE 33 -10.569 17.093 -0.328
228 HB ILE 33 HB ILE 33 -10.144 18.880 1.310
229 HG12 ILE 33 HG13 ILE 33 -7.605 17.322 1.443
230 HG13 ILE 33 HG12 ILE 33 -8.273 17.625 -0.161
231 HG21 ILE 33 HG21 ILE 33 -9.656 18.512 3.508
232 HG22 ILE 33 HG22 ILE 33 -8.661 17.099 3.155
233 HG23 ILE 33 HG23 ILE 33 -10.417 16.949 3.209
234 HD11 ILE 33 HD11 ILE 33 -6.869 19.448 1.569
235 HD12 ILE 33 HD12 ILE 33 -8.497 20.060 1.276
236 HD13 ILE 33 HD13 ILE 33 -7.428 19.708 -0.082
237 H ASN 34 H ASN 34 -10.098 15.031 -1.037
238 HA ASN 34 HA ASN 34 -9.768 12.695 0.520
239 HB2 ASN 34 HB3 ASN 34 -8.653 11.845 -1.543
240 HB3 ASN 34 HB2 ASN 34 -10.120 12.753 -1.910
241 HD21 ASN 34 HD22 ASN 34 -6.898 12.444 -2.818
242 HD22 ASN 34 HD21 ASN 34 -6.675 13.971 -3.522
243 H SER 35 H SER 35 -8.147 12.068 1.884
244 HA SER 35 HA SER 35 -5.344 12.731 1.365
245 HB2 SER 35 HB3 SER 35 -7.014 14.468 2.893
246 HB3 SER 35 HB2 SER 35 -5.857 13.725 3.989
247 HG SER 35 HG SER 35 -5.378 15.732 2.492
248 H ALA 36 H ALA 36 -7.546 11.841 4.052
249 HA ALA 36 HA ALA 36 -5.740 10.140 5.435
250 HB1 ALA 36 HB1 ALA 36 -8.714 9.684 5.271
251 HB2 ALA 36 HB2 ALA 36 -8.075 11.142 6.029
252 HB3 ALA 36 HB3 ALA 36 -7.658 9.555 6.677
253 H TYR 37 H TYR 37 -4.659 8.678 4.030
254 HA TYR 37 HA TYR 37 -6.288 6.367 3.130
255 HB2 TYR 37 HB3 TYR 37 -4.639 8.194 1.363
256 HB3 TYR 37 HB2 TYR 37 -5.139 6.581 0.859
257 HD1 TYR 37 HD2 TYR 37 -7.718 6.048 1.218
258 HD2 TYR 37 HD1 TYR 37 -6.049 9.992 0.885
259 HE1 TYR 37 HE2 TYR 37 -9.942 6.935 0.569
260 HE2 TYR 37 HE1 TYR 37 -8.273 10.877 0.234
261 HH TYR 37 HH TYR 37 -10.847 8.884 -0.683
262 H HIS 38 H HIS 38 -4.964 4.458 2.811
263 HA HIS 38 HA HIS 38 -2.094 4.730 3.613
264 HB2 HIS 38 HB3 HIS 38 -2.910 2.356 4.726
265 HB3 HIS 38 HB2 HIS 38 -2.809 3.877 5.604
266 HD1 HIS 38 HD1 HIS 38 -5.199 1.350 4.367
267 HD2 HIS 38 HD2 HIS 38 -5.390 5.264 5.790
268 HE1 HIS 38 HE1 HIS 38 -7.631 1.796 4.911
269 H TYR 39 H TYR 39 -0.857 2.692 3.071
270 HA TYR 39 HA TYR 39 -1.818 1.566 0.474
271 HB2 TYR 39 HB3 TYR 39 0.766 2.295 1.739
272 HB3 TYR 39 HB2 TYR 39 0.800 0.839 0.745
273 HD1 TYR 39 HD2 TYR 39 -0.272 4.421 0.712
274 HD2 TYR 39 HD1 TYR 39 0.875 0.992 -1.609
275 HE1 TYR 39 HE2 TYR 39 -0.241 5.817 -1.336
276 HE2 TYR 39 HE1 TYR 39 0.905 2.390 -3.656
277 HH TYR 39 HH TYR 39 1.082 5.589 -3.696
278 H ARG 40 H ARG 40 -2.633 -0.499 0.574
279 HA ARG 40 HA ARG 40 -1.748 -2.259 2.836
280 HB2 ARG 40 HB3 ARG 40 -3.960 -3.386 2.390
281 HB3 ARG 40 HB2 ARG 40 -4.107 -1.702 2.887
282 HG2 ARG 40 HG3 ARG 40 -4.550 -0.975 0.664
283 HG3 ARG 40 HG2 ARG 40 -4.024 -2.514 -0.023
284 HD2 ARG 40 HD3 ARG 40 -6.377 -2.336 1.878
285 HD3 ARG 40 HD2 ARG 40 -6.564 -2.182 0.120
286 HE ARG 40 HE ARG 40 -4.940 -4.480 0.785
287 HH11 ARG 40 HH22 ARG 40 -7.617 -3.673 -0.895
288 HH12 ARG 40 HH21 ARG 40 -8.583 -5.038 -0.443
289 HH21 ARG 40 HH11 ARG 40 -6.418 -6.080 2.056
290 HH22 ARG 40 HH12 ARG 40 -7.905 -6.401 1.227
291 H CYS 41 H CYS 41 -1.304 -4.489 2.342
292 HA CYS 41 HA CYS 41 -0.320 -4.931 -0.420
293 HB2 CYS 41 HB3 CYS 41 0.023 -6.905 1.803
294 HB3 CYS 41 HB2 CYS 41 1.176 -6.376 0.594
295 H VAL 42 H VAL 42 -1.438 -6.303 -1.819
296 HA VAL 42 HA VAL 42 -3.479 -8.126 -0.614
297 HB VAL 42 HB VAL 42 -4.720 -7.580 -2.766
298 HG11 VAL 42 HG11 VAL 42 -4.190 -5.269 -0.888
299 HG12 VAL 42 HG12 VAL 42 -5.274 -6.613 -0.533
300 HG13 VAL 42 HG13 VAL 42 -5.640 -5.512 -1.860
301 HG21 VAL 42 HG21 VAL 42 -2.559 -6.589 -3.788
302 HG22 VAL 42 HG22 VAL 42 -2.954 -5.145 -2.855
303 HG23 VAL 42 HG23 VAL 42 -4.073 -5.734 -4.084
304 H CYS 43 H CYS 43 -3.820 -10.101 -1.798
305 HA CYS 43 HA CYS 43 -1.667 -10.792 -3.730
306 HB2 CYS 43 HB3 CYS 43 -1.512 -11.821 -1.465
307 HB3 CYS 43 HB2 CYS 43 -3.100 -12.542 -1.715
308 H HIS 44 H HIS 44 -2.982 -10.359 -5.599
309 HA HIS 44 HA HIS 44 -5.491 -11.974 -5.848
310 HB2 HIS 44 HB3 HIS 44 -4.416 -9.637 -7.460
311 HB3 HIS 44 HB2 HIS 44 -6.006 -10.370 -7.650
312 HD1 HIS 44 HD1 HIS 44 -5.845 -7.406 -6.880
313 HD2 HIS 44 HD2 HIS 44 -6.058 -10.484 -4.076
314 HE1 HIS 44 HE1 HIS 44 -6.751 -6.376 -4.752
315 H ARG 45 H ARG 45 -5.817 -12.682 -8.260
316 HA ARG 45 HA ARG 45 -3.432 -14.219 -9.047
317 HB2 ARG 45 HB3 ARG 45 -5.846 -15.074 -8.736
318 HB3 ARG 45 HB2 ARG 45 -6.188 -14.279 -10.274
319 HG2 ARG 45 HG3 ARG 45 -3.832 -15.695 -10.762
320 HG3 ARG 45 HG2 ARG 45 -4.787 -16.789 -9.761
321 HD2 ARG 45 HD3 ARG 45 -6.721 -15.921 -11.462
322 HD3 ARG 45 HD2 ARG 45 -5.303 -15.839 -12.526
323 HE ARG 45 HE ARG 45 -5.114 -18.280 -11.119
324 HH11 ARG 45 HH11 ARG 45 -8.017 -17.188 -12.314
325 HH12 ARG 45 HH12 ARG 45 -8.217 -18.433 -13.501
326 HH21 ARG 45 HH22 ARG 45 -5.011 -19.694 -13.102
327 HH22 ARG 45 HH21 ARG 45 -6.515 -19.853 -13.947
Start of MODEL 19
1 H1 ILE 1 H1 ILE 1 5.709 11.459 -6.057
2 H2 ILE 1 H2 ILE 1 7.304 11.836 -6.502
3 H3 ILE 1 H3 ILE 1 6.515 12.747 -5.304
4 HA ILE 1 HA ILE 1 7.126 9.848 -5.028
5 HB ILE 1 HB ILE 1 8.982 10.707 -3.575
6 HG12 ILE 1 HG13 ILE 1 8.352 13.383 -4.852
7 HG13 ILE 1 HG12 ILE 1 7.895 12.957 -3.202
8 HG21 ILE 1 HG21 ILE 1 9.589 12.030 -6.137
9 HG22 ILE 1 HG22 ILE 1 8.933 10.401 -6.305
10 HG23 ILE 1 HG23 ILE 1 10.393 10.671 -5.353
11 HD11 ILE 1 HD11 ILE 1 10.422 12.334 -2.935
12 HD12 ILE 1 HD12 ILE 1 9.952 14.033 -2.882
13 HD13 ILE 1 HD13 ILE 1 10.645 13.356 -4.356
14 H GLY 2 H GLY 2 6.725 9.126 -2.841
15 HA2 GLY 2 HA3 GLY 2 6.085 10.050 -0.504
16 HA3 GLY 2 HA2 GLY 2 4.783 10.859 -1.379
17 H SER 3 H SER 3 3.724 9.350 0.434
18 HA SER 3 HA SER 3 2.368 7.463 0.875
19 HB2 SER 3 HB3 SER 3 2.403 7.493 -2.160
20 HB3 SER 3 HB2 SER 3 1.211 6.657 -1.170
21 HG SER 3 HG SER 3 0.279 8.573 -1.512
22 H THR 4 H THR 4 2.121 5.034 -0.547
23 HA THR 4 HA THR 4 4.735 3.786 0.071
24 HB THR 4 HB THR 4 2.177 2.463 -0.749
25 HG1 THR 4 HG1 THR 4 1.628 3.813 0.926
26 HG21 THR 4 HG21 THR 4 4.143 1.494 1.294
27 HG22 THR 4 HG22 THR 4 4.483 1.281 -0.424
28 HG23 THR 4 HG23 THR 4 3.040 0.558 0.285
29 H ALA 5 H ALA 5 5.319 5.117 -2.112
30 HA ALA 5 HA ALA 5 4.554 4.235 -4.672
31 HB1 ALA 5 HB1 ALA 5 6.235 5.641 -5.268
32 HB2 ALA 5 HB2 ALA 5 7.427 4.747 -4.326
33 HB3 ALA 5 HB3 ALA 5 6.401 5.947 -3.540
34 HA PRO 6 HA PRO 6 7.850 0.803 -4.411
35 HB2 PRO 6 HB2 PRO 6 8.986 0.246 -1.987
36 HB3 PRO 6 HB3 PRO 6 9.652 1.450 -3.106
37 HG2 PRO 6 HG3 PRO 6 8.098 1.837 -0.623
38 HG3 PRO 6 HG2 PRO 6 9.346 2.857 -1.349
39 HD2 PRO 6 HD3 PRO 6 6.602 3.303 -1.467
40 HD3 PRO 6 HD2 PRO 6 7.820 4.063 -2.510
41 H THR 7 H THR 7 6.109 -0.586 -4.688
42 HA THR 7 HA THR 7 4.026 -1.348 -3.100
43 HB THR 7 HB THR 7 4.429 -3.659 -4.191
44 HG1 THR 7 HG1 THR 7 6.048 -3.522 -5.822
45 HG21 THR 7 HG21 THR 7 2.945 -2.101 -5.184
46 HG22 THR 7 HG22 THR 7 4.060 -2.567 -6.467
47 HG23 THR 7 HG23 THR 7 4.266 -1.023 -5.638
48 H CYS 8 H CYS 8 3.623 -2.966 -1.541
49 HA CYS 8 HA CYS 8 5.426 -3.179 0.605
50 HB2 CYS 8 HB3 CYS 8 2.814 -3.971 -0.109
51 HB3 CYS 8 HB2 CYS 8 3.625 -5.446 0.398
52 H THR 9 H THR 9 5.257 -4.926 -2.340
53 HA THR 9 HA THR 9 6.899 -6.340 -3.314
54 HB THR 9 HB THR 9 8.708 -7.215 -2.030
55 HG1 THR 9 HG1 THR 9 8.154 -8.047 -0.208
56 HG21 THR 9 HG21 THR 9 9.637 -5.196 -1.733
57 HG22 THR 9 HG22 THR 9 8.648 -4.909 -0.300
58 HG23 THR 9 HG23 THR 9 8.034 -4.478 -1.897
59 H TYR 10 H TYR 10 5.804 -8.022 -4.091
60 HA TYR 10 HA TYR 10 3.676 -9.391 -3.102
61 HB2 TYR 10 HB3 TYR 10 4.061 -10.837 -4.871
62 HB3 TYR 10 HB2 TYR 10 5.193 -9.556 -5.294
63 HD1 TYR 10 HD1 TYR 10 4.846 -12.949 -3.892
64 HD2 TYR 10 HD2 TYR 10 7.598 -9.863 -5.054
65 HE1 TYR 10 HE1 TYR 10 6.719 -14.567 -3.749
66 HE2 TYR 10 HE2 TYR 10 9.472 -11.482 -4.910
67 HH TYR 10 HH TYR 10 9.190 -14.493 -3.401
68 H ASN 11 H ASN 11 7.002 -9.940 -2.025
69 HA ASN 11 HA ASN 11 6.691 -12.478 -0.800
70 HB2 ASN 11 HB3 ASN 11 8.441 -10.080 -0.555
71 HB3 ASN 11 HB2 ASN 11 8.447 -11.182 0.822
72 HD21 ASN 11 HD22 ASN 11 10.438 -10.639 -1.540
73 HD22 ASN 11 HD21 ASN 11 10.811 -12.202 -2.088
74 H GLU 12 H GLU 12 5.394 -9.367 0.039
75 HA GLU 12 HA GLU 12 5.017 -9.652 2.816
76 HB2 GLU 12 HB3 GLU 12 3.252 -8.437 0.665
77 HB3 GLU 12 HB2 GLU 12 3.037 -8.148 2.387
78 HG2 GLU 12 HG3 GLU 12 5.040 -7.022 0.517
79 HG3 GLU 12 HG2 GLU 12 4.360 -6.340 1.987
80 H CYS 13 H CYS 13 3.365 -11.075 0.077
81 HA CYS 13 HA CYS 13 1.321 -12.375 1.788
82 HB2 CYS 13 HB3 CYS 13 0.206 -12.717 -0.271
83 HB3 CYS 13 HB2 CYS 13 1.022 -11.174 -0.500
84 H ARG 14 H ARG 14 4.276 -13.127 1.809
85 HA ARG 14 HA ARG 14 4.963 -15.449 0.446
86 HB2 ARG 14 HB3 ARG 14 6.299 -14.139 2.119
87 HB3 ARG 14 HB2 ARG 14 5.366 -14.906 3.403
88 HG2 ARG 14 HG3 ARG 14 6.593 -16.721 1.390
89 HG3 ARG 14 HG2 ARG 14 7.698 -15.919 2.506
90 HD2 ARG 14 HD3 ARG 14 6.153 -16.709 4.393
91 HD3 ARG 14 HD2 ARG 14 5.391 -17.760 3.182
92 HE ARG 14 HE ARG 14 7.848 -18.524 2.727
93 HH11 ARG 14 HH22 ARG 14 6.142 -19.304 5.325
94 HH12 ARG 14 HH21 ARG 14 7.445 -19.414 6.459
95 HH21 ARG 14 HH11 ARG 14 9.743 -17.869 4.373
96 HH22 ARG 14 HH12 ARG 14 9.485 -18.602 5.921
97 H GLY 15 H GLY 15 3.244 -16.900 0.052
98 HA2 GLY 15 HA3 GLY 15 2.776 -19.069 1.679
99 HA3 GLY 15 HA2 GLY 15 1.567 -17.904 2.222
100 H CYS 16 H CYS 16 0.400 -16.801 0.225
101 HA CYS 16 HA CYS 16 -1.068 -18.830 -1.154
102 HB2 CYS 16 HB3 CYS 16 -2.019 -16.853 -2.322
103 HB3 CYS 16 HB2 CYS 16 -1.919 -16.599 -0.585
104 H ARG 17 H ARG 17 -1.266 -18.642 -3.699
105 HA ARG 17 HA ARG 17 1.497 -18.553 -4.881
106 HB2 ARG 17 HB3 ARG 17 -0.761 -20.447 -5.606
107 HB3 ARG 17 HB2 ARG 17 0.921 -20.552 -6.119
108 HG2 ARG 17 HG3 ARG 17 0.372 -20.554 -3.181
109 HG3 ARG 17 HG2 ARG 17 -0.016 -22.011 -4.091
110 HD2 ARG 17 HD3 ARG 17 2.634 -20.783 -4.670
111 HD3 ARG 17 HD2 ARG 17 2.452 -21.571 -3.090
112 HE ARG 17 HE ARG 17 1.295 -23.387 -4.801
113 HH11 ARG 17 HH11 ARG 17 4.191 -23.275 -3.499
114 HH12 ARG 17 HH12 ARG 17 5.116 -23.811 -4.863
115 HH21 ARG 17 HH22 ARG 17 2.516 -23.402 -7.121
116 HH22 ARG 17 HH21 ARG 17 4.167 -23.883 -6.913
117 H TYR 18 H TYR 18 0.368 -16.231 -5.264
118 HA TYR 18 HA TYR 18 -0.660 -16.303 -8.055
119 HB2 TYR 18 HB3 TYR 18 -2.077 -15.032 -5.692
120 HB3 TYR 18 HB2 TYR 18 -2.571 -14.866 -7.374
121 HD1 TYR 18 HD2 TYR 18 -3.239 -16.887 -8.688
122 HD2 TYR 18 HD1 TYR 18 -2.584 -17.017 -4.447
123 HE1 TYR 18 HE2 TYR 18 -4.475 -19.027 -8.567
124 HE2 TYR 18 HE1 TYR 18 -3.817 -19.158 -4.323
125 HH TYR 18 HH TYR 18 -5.852 -20.228 -6.309
126 H LYS 19 H LYS 19 -1.433 -13.537 -8.016
127 HA LYS 19 HA LYS 19 1.260 -12.279 -7.980
128 HB2 LYS 19 HB3 LYS 19 -1.425 -11.356 -9.064
129 HB3 LYS 19 HB2 LYS 19 0.140 -10.621 -9.412
130 HG2 LYS 19 HG3 LYS 19 0.104 -13.509 -9.934
131 HG3 LYS 19 HG2 LYS 19 -1.067 -12.625 -10.910
132 HD2 LYS 19 HD3 LYS 19 0.576 -11.333 -11.955
133 HD3 LYS 19 HD2 LYS 19 1.731 -11.562 -10.643
134 HE2 LYS 19 HE3 LYS 19 1.041 -14.133 -11.783
135 HE3 LYS 19 HE2 LYS 19 1.612 -13.032 -13.053
136 HZ1 LYS 19 HZ1 LYS 19 3.398 -14.236 -11.762
137 HZ2 LYS 19 HZ2 LYS 19 2.969 -13.279 -10.429
138 HZ3 LYS 19 HZ3 LYS 19 3.555 -12.547 -11.847
139 H CYS 20 H CYS 20 1.676 -10.411 -6.708
140 HA CYS 20 HA CYS 20 -0.518 -9.553 -4.854
141 HB2 CYS 20 HB3 CYS 20 2.367 -10.203 -4.187
142 HB3 CYS 20 HB2 CYS 20 1.161 -9.628 -3.037
143 H ARG 21 H ARG 21 -0.465 -7.360 -4.274
144 HA ARG 21 HA ARG 21 1.798 -5.611 -4.898
145 HB2 ARG 21 HB3 ARG 21 -0.321 -6.192 -6.841
146 HB3 ARG 21 HB2 ARG 21 -0.195 -4.468 -6.491
147 HG2 ARG 21 HG3 ARG 21 2.421 -5.752 -6.817
148 HG3 ARG 21 HG2 ARG 21 1.415 -5.871 -8.261
149 HD2 ARG 21 HD3 ARG 21 0.983 -3.373 -8.049
150 HD3 ARG 21 HD2 ARG 21 2.245 -3.344 -6.802
151 HE ARG 21 HE ARG 21 3.359 -4.753 -8.952
152 HH11 ARG 21 HH22 ARG 21 1.390 -2.209 -9.663
153 HH12 ARG 21 HH21 ARG 21 2.624 -1.156 -10.269
154 HH21 ARG 21 HH11 ARG 21 5.238 -3.153 -9.171
155 HH22 ARG 21 HH12 ARG 21 4.803 -1.691 -9.990
156 H ALA 22 H ALA 22 1.564 -3.714 -3.728
157 HA ALA 22 HA ALA 22 -0.779 -3.537 -1.955
158 HB1 ALA 22 HB1 ALA 22 1.948 -2.313 -2.214
159 HB2 ALA 22 HB2 ALA 22 1.247 -3.186 -0.852
160 HB3 ALA 22 HB3 ALA 22 0.754 -1.526 -1.181
161 H GLU 23 H GLU 23 -2.196 -1.700 -1.908
162 HA GLU 23 HA GLU 23 -1.960 0.191 -4.224
163 HB2 GLU 23 HB3 GLU 23 -4.072 -1.761 -3.461
164 HB3 GLU 23 HB2 GLU 23 -4.630 -0.190 -4.040
165 HG2 GLU 23 HG3 GLU 23 -2.447 -1.446 -5.605
166 HG3 GLU 23 HG2 GLU 23 -4.019 -2.241 -5.696
167 H GLN 24 H GLN 24 -3.136 2.202 -3.906
168 HA GLN 24 HA GLN 24 -3.229 3.066 -1.098
169 HB2 GLN 24 HB3 GLN 24 -2.297 4.234 -3.315
170 HB3 GLN 24 HB2 GLN 24 -3.965 4.789 -3.432
171 HG2 GLN 24 HG3 GLN 24 -3.826 5.719 -1.154
172 HG3 GLN 24 HG2 GLN 24 -2.156 5.168 -1.028
173 HE21 GLN 24 HE22 GLN 24 -4.159 7.754 -2.117
174 HE22 GLN 24 HE21 GLN 24 -2.959 8.637 -2.931
175 H VAL 25 H VAL 25 -5.165 1.270 -1.316
176 HA VAL 25 HA VAL 25 -7.672 1.857 -2.391
177 HB VAL 25 HB VAL 25 -7.246 -0.229 -1.314
178 HG11 VAL 25 HG11 VAL 25 -6.931 -0.161 1.283
179 HG12 VAL 25 HG12 VAL 25 -6.423 1.505 1.002
180 HG13 VAL 25 HG13 VAL 25 -5.548 0.176 0.242
181 HG21 VAL 25 HG21 VAL 25 -9.067 -0.411 0.321
182 HG22 VAL 25 HG22 VAL 25 -9.560 0.607 -1.032
183 HG23 VAL 25 HG23 VAL 25 -9.097 1.343 0.502
184 HA PRO 26 HA PRO 26 -8.723 5.622 -0.266
185 HB2 PRO 26 HB2 PRO 26 -11.311 5.803 -1.133
186 HB3 PRO 26 HB3 PRO 26 -9.920 6.204 -2.159
187 HG2 PRO 26 HG3 PRO 26 -11.584 3.742 -2.107
188 HG3 PRO 26 HG2 PRO 26 -10.874 4.596 -3.485
189 HD2 PRO 26 HD3 PRO 26 -9.825 2.314 -2.411
190 HD3 PRO 26 HD2 PRO 26 -8.861 3.535 -3.272
191 H VAL 27 H VAL 27 -9.455 5.898 1.817
192 HA VAL 27 HA VAL 27 -11.717 4.238 2.815
193 HB VAL 27 HB VAL 27 -8.950 4.388 4.058
194 HG11 VAL 27 HG11 VAL 27 -10.080 2.449 5.439
195 HG12 VAL 27 HG12 VAL 27 -11.579 3.240 4.954
196 HG13 VAL 27 HG13 VAL 27 -10.377 4.128 5.889
197 HG21 VAL 27 HG21 VAL 27 -10.410 2.287 2.458
198 HG22 VAL 27 HG22 VAL 27 -9.139 1.836 3.594
199 HG23 VAL 27 HG23 VAL 27 -8.771 2.897 2.234
200 H GLU 28 H GLU 28 -10.854 7.217 2.317
201 HA GLU 28 HA GLU 28 -12.271 8.316 4.588
202 HB2 GLU 28 HB3 GLU 28 -10.080 7.776 5.596
203 HB3 GLU 28 HB2 GLU 28 -9.275 8.736 4.355
204 HG2 GLU 28 HG3 GLU 28 -9.449 10.166 6.257
205 HG3 GLU 28 HG2 GLU 28 -10.708 10.702 5.143
206 H GLY 29 H GLY 29 -13.476 9.407 2.951
207 HA2 GLY 29 HA3 GLY 29 -13.958 11.153 1.463
208 HA3 GLY 29 HA2 GLY 29 -12.577 11.982 2.178
209 H ASN 30 H ASN 30 -12.917 12.451 -0.435
210 HA ASN 30 HA ASN 30 -10.495 11.484 -1.638
211 HB2 ASN 30 HB3 ASN 30 -11.559 10.110 -3.406
212 HB3 ASN 30 HB2 ASN 30 -11.879 9.450 -1.804
213 HD21 ASN 30 HD22 ASN 30 -14.068 9.694 -0.926
214 HD22 ASN 30 HD21 ASN 30 -15.373 10.111 -1.929
215 H ASP 31 H ASP 31 -13.705 12.846 -2.174
216 HA ASP 31 HA ASP 31 -13.273 14.158 -4.641
217 HB2 ASP 31 HB3 ASP 31 -15.090 14.309 -2.329
218 HB3 ASP 31 HB2 ASP 31 -14.951 15.821 -3.226
219 HA PRO 32 HA PRO 32 -11.727 17.991 -2.256
220 HB2 PRO 32 HB2 PRO 32 -11.307 17.786 0.439
221 HB3 PRO 32 HB3 PRO 32 -12.871 18.254 -0.255
222 HG2 PRO 32 HG3 PRO 32 -11.987 15.631 0.827
223 HG3 PRO 32 HG2 PRO 32 -13.560 16.433 0.952
224 HD2 PRO 32 HD3 PRO 32 -13.022 14.395 -0.790
225 HD3 PRO 32 HD2 PRO 32 -14.277 15.623 -1.058
226 H ILE 33 H ILE 33 -9.652 18.221 -0.353
227 HA ILE 33 HA ILE 33 -7.362 17.265 -1.652
228 HB ILE 33 HB ILE 33 -7.763 18.932 0.325
229 HG12 ILE 33 HG13 ILE 33 -5.322 17.209 0.683
230 HG13 ILE 33 HG12 ILE 33 -5.546 18.116 -0.813
231 HG21 ILE 33 HG21 ILE 33 -7.709 18.119 2.506
232 HG22 ILE 33 HG22 ILE 33 -6.856 16.645 2.044
233 HG23 ILE 33 HG23 ILE 33 -8.580 16.807 1.709
234 HD11 ILE 33 HD11 ILE 33 -4.282 19.530 0.659
235 HD12 ILE 33 HD12 ILE 33 -5.383 19.219 2.001
236 HD13 ILE 33 HD13 ILE 33 -5.922 20.178 0.623
237 H ASN 34 H ASN 34 -5.778 15.595 -0.711
238 HA ASN 34 HA ASN 34 -7.085 13.001 -0.487
239 HB2 ASN 34 HB3 ASN 34 -4.721 12.241 -0.244
240 HB3 ASN 34 HB2 ASN 34 -4.903 13.360 -1.596
241 HD21 ASN 34 HD22 ASN 34 -3.090 12.768 1.227
242 HD22 ASN 34 HD21 ASN 34 -2.389 14.306 1.390
243 H SER 35 H SER 35 -8.355 14.005 1.470
244 HA SER 35 HA SER 35 -7.522 14.688 3.962
245 HB2 SER 35 HB3 SER 35 -9.751 13.365 2.773
246 HB3 SER 35 HB2 SER 35 -9.409 12.587 4.314
247 HG SER 35 HG SER 35 -10.527 14.261 5.001
248 H ALA 36 H ALA 36 -7.282 11.391 2.647
249 HA ALA 36 HA ALA 36 -5.039 10.671 4.250
250 HB1 ALA 36 HB1 ALA 36 -6.884 9.010 5.538
251 HB2 ALA 36 HB2 ALA 36 -7.677 10.584 5.490
252 HB3 ALA 36 HB3 ALA 36 -6.090 10.421 6.240
253 H TYR 37 H TYR 37 -4.147 9.070 3.036
254 HA TYR 37 HA TYR 37 -5.906 6.931 1.915
255 HB2 TYR 37 HB3 TYR 37 -4.284 8.999 0.526
256 HB3 TYR 37 HB2 TYR 37 -4.170 7.367 -0.129
257 HD1 TYR 37 HD1 TYR 37 -6.636 9.983 0.906
258 HD2 TYR 37 HD2 TYR 37 -5.894 6.483 -1.472
259 HE1 TYR 37 HE1 TYR 37 -8.838 10.262 -0.197
260 HE2 TYR 37 HE2 TYR 37 -8.094 6.764 -2.574
261 HH TYR 37 HH TYR 37 -9.724 8.495 -3.006
262 H HIS 38 H HIS 38 -5.000 5.243 3.132
263 HA HIS 38 HA HIS 38 -2.105 5.090 3.576
264 HB2 HIS 38 HB3 HIS 38 -2.776 3.122 4.890
265 HB3 HIS 38 HB2 HIS 38 -3.794 4.494 5.279
266 HD1 HIS 38 HD1 HIS 38 -3.832 1.180 3.511
267 HD2 HIS 38 HD2 HIS 38 -6.510 4.219 4.492
268 HE1 HIS 38 HE1 HIS 38 -6.149 0.270 3.046
269 H TYR 39 H TYR 39 -1.826 2.294 3.466
270 HA TYR 39 HA TYR 39 -2.319 1.484 0.647
271 HB2 TYR 39 HB3 TYR 39 0.114 2.639 1.705
272 HB3 TYR 39 HB2 TYR 39 0.422 0.974 1.214
273 HD1 TYR 39 HD2 TYR 39 -0.165 0.242 -1.123
274 HD2 TYR 39 HD1 TYR 39 -0.256 4.356 0.101
275 HE1 TYR 39 HE2 TYR 39 -0.120 0.950 -3.498
276 HE2 TYR 39 HE1 TYR 39 -0.207 5.065 -2.271
277 HH TYR 39 HH TYR 39 0.710 3.175 -4.736
278 H ARG 40 H ARG 40 -2.369 -0.781 0.458
279 HA ARG 40 HA ARG 40 -1.469 -2.404 2.803
280 HB2 ARG 40 HB3 ARG 40 -3.695 -3.622 2.569
281 HB3 ARG 40 HB2 ARG 40 -3.804 -1.974 3.185
282 HG2 ARG 40 HG3 ARG 40 -4.979 -1.269 1.391
283 HG3 ARG 40 HG2 ARG 40 -3.901 -2.088 0.261
284 HD2 ARG 40 HD3 ARG 40 -5.056 -4.271 0.951
285 HD3 ARG 40 HD2 ARG 40 -6.282 -3.252 1.730
286 HE ARG 40 HE ARG 40 -5.655 -2.467 -1.025
287 HH11 ARG 40 HH22 ARG 40 -8.206 -2.675 0.953
288 HH12 ARG 40 HH21 ARG 40 -9.245 -3.582 -0.094
289 HH21 ARG 40 HH11 ARG 40 -6.728 -4.385 -2.338
290 HH22 ARG 40 HH12 ARG 40 -8.409 -4.550 -1.954
291 H CYS 41 H CYS 41 -0.684 -4.433 2.200
292 HA CYS 41 HA CYS 41 -0.303 -4.894 -0.698
293 HB2 CYS 41 HB3 CYS 41 0.811 -7.029 0.799
294 HB3 CYS 41 HB2 CYS 41 1.669 -5.685 0.069
295 H VAL 42 H VAL 42 -1.612 -6.264 -1.847
296 HA VAL 42 HA VAL 42 -3.224 -8.262 -0.299
297 HB VAL 42 HB VAL 42 -4.836 -7.815 -2.292
298 HG11 VAL 42 HG11 VAL 42 -4.307 -5.771 -0.125
299 HG12 VAL 42 HG12 VAL 42 -5.377 -7.169 -0.018
300 HG13 VAL 42 HG13 VAL 42 -5.781 -5.829 -1.092
301 HG21 VAL 42 HG21 VAL 42 -4.655 -5.610 -3.304
302 HG22 VAL 42 HG22 VAL 42 -3.159 -6.497 -3.595
303 HG23 VAL 42 HG23 VAL 42 -3.220 -5.255 -2.343
304 H CYS 43 H CYS 43 -3.695 -10.250 -1.463
305 HA CYS 43 HA CYS 43 -1.685 -10.881 -3.547
306 HB2 CYS 43 HB3 CYS 43 -1.548 -12.149 -1.469
307 HB3 CYS 43 HB2 CYS 43 -3.251 -12.580 -1.588
308 H HIS 44 H HIS 44 -2.787 -10.384 -5.484
309 HA HIS 44 HA HIS 44 -5.524 -11.501 -5.878
310 HB2 HIS 44 HB3 HIS 44 -3.796 -9.731 -7.641
311 HB3 HIS 44 HB2 HIS 44 -5.515 -10.053 -7.854
312 HD1 HIS 44 HD1 HIS 44 -4.292 -7.170 -7.327
313 HD2 HIS 44 HD2 HIS 44 -6.044 -9.618 -4.443
314 HE1 HIS 44 HE1 HIS 44 -5.053 -5.642 -5.457
315 H ARG 45 H ARG 45 -5.777 -12.486 -8.213
316 HA ARG 45 HA ARG 45 -4.198 -14.835 -8.434
317 HB2 ARG 45 HB3 ARG 45 -6.123 -13.306 -10.131
318 HB3 ARG 45 HB2 ARG 45 -5.202 -14.602 -10.895
319 HG2 ARG 45 HG3 ARG 45 -5.931 -15.991 -8.791
320 HG3 ARG 45 HG2 ARG 45 -7.195 -14.770 -8.655
321 HD2 ARG 45 HD3 ARG 45 -8.375 -15.910 -10.220
322 HD3 ARG 45 HD2 ARG 45 -7.108 -15.510 -11.396
323 HE ARG 45 HE ARG 45 -6.074 -17.631 -9.881
324 HH11 ARG 45 HH22 ARG 45 -9.005 -18.448 -9.875
325 HH12 ARG 45 HH21 ARG 45 -9.079 -19.450 -11.285
326 HH21 ARG 45 HH11 ARG 45 -6.074 -18.306 -12.583
327 HH22 ARG 45 HH12 ARG 45 -7.420 -19.371 -12.818
Start of MODEL 20
1 H1 ILE 1 H1 ILE 1 5.111 14.315 -11.296
2 H2 ILE 1 H2 ILE 1 5.397 15.029 -9.780
3 H3 ILE 1 H3 ILE 1 4.167 15.629 -10.786
4 HA ILE 1 HA ILE 1 2.965 14.378 -9.263
5 HB ILE 1 HB ILE 1 3.738 12.588 -11.593
6 HG12 ILE 1 HG13 ILE 1 1.498 14.622 -11.338
7 HG13 ILE 1 HG12 ILE 1 3.009 14.908 -12.204
8 HG21 ILE 1 HG21 ILE 1 2.437 11.173 -10.306
9 HG22 ILE 1 HG22 ILE 1 1.163 12.023 -11.182
10 HG23 ILE 1 HG23 ILE 1 1.571 12.502 -9.535
11 HD11 ILE 1 HD11 ILE 1 1.775 14.137 -13.978
12 HD12 ILE 1 HD12 ILE 1 0.693 13.195 -12.950
13 HD13 ILE 1 HD13 ILE 1 2.296 12.574 -13.347
14 H GLY 2 H GLY 2 3.406 13.367 -7.350
15 HA2 GLY 2 HA3 GLY 2 5.445 11.176 -7.358
16 HA3 GLY 2 HA2 GLY 2 5.354 12.355 -6.048
17 H SER 3 H SER 3 3.474 9.815 -7.684
18 HA SER 3 HA SER 3 1.513 9.677 -5.498
19 HB2 SER 3 HB3 SER 3 0.774 7.689 -6.945
20 HB3 SER 3 HB2 SER 3 0.753 9.267 -7.727
21 HG SER 3 HG SER 3 2.018 7.132 -8.522
22 H THR 4 H THR 4 1.453 8.073 -3.901
23 HA THR 4 HA THR 4 3.869 6.836 -3.042
24 HB THR 4 HB THR 4 0.950 6.492 -2.456
25 HG1 THR 4 HG1 THR 4 2.067 8.337 -1.710
26 HG21 THR 4 HG21 THR 4 3.253 5.020 -1.151
27 HG22 THR 4 HG22 THR 4 1.929 4.290 -2.059
28 HG23 THR 4 HG23 THR 4 1.611 5.072 -0.512
29 H ALA 5 H ALA 5 4.866 5.413 -4.510
30 HA ALA 5 HA ALA 5 3.182 3.120 -5.457
31 HB1 ALA 5 HB1 ALA 5 5.697 4.096 -6.788
32 HB2 ALA 5 HB2 ALA 5 4.164 4.924 -7.060
33 HB3 ALA 5 HB3 ALA 5 4.337 3.225 -7.498
34 HA PRO 6 HA PRO 6 7.262 1.675 -3.386
35 HB2 PRO 6 HB2 PRO 6 6.806 1.748 -0.696
36 HB3 PRO 6 HB3 PRO 6 7.566 3.093 -1.569
37 HG2 PRO 6 HG3 PRO 6 4.779 2.806 -0.593
38 HG3 PRO 6 HG2 PRO 6 5.806 4.245 -0.680
39 HD2 PRO 6 HD3 PRO 6 3.803 3.644 -2.469
40 HD3 PRO 6 HD2 PRO 6 5.183 4.709 -2.807
41 H THR 7 H THR 7 5.421 0.138 -4.499
42 HA THR 7 HA THR 7 3.568 -1.387 -3.095
43 HB THR 7 HB THR 7 4.802 -3.239 -4.718
44 HG1 THR 7 HG1 THR 7 5.732 -2.145 -6.389
45 HG21 THR 7 HG21 THR 7 3.010 -2.855 -6.104
46 HG22 THR 7 HG22 THR 7 3.206 -1.104 -6.046
47 HG23 THR 7 HG23 THR 7 2.460 -1.952 -4.692
48 H CYS 8 H CYS 8 3.672 -3.230 -1.754
49 HA CYS 8 HA CYS 8 5.989 -3.505 -0.068
50 HB2 CYS 8 HB3 CYS 8 3.524 -5.233 -0.435
51 HB3 CYS 8 HB2 CYS 8 4.616 -5.299 0.948
52 H THR 9 H THR 9 5.488 -4.611 -3.172
53 HA THR 9 HA THR 9 6.656 -6.137 -4.524
54 HB THR 9 HB THR 9 8.799 -6.774 -3.812
55 HG1 THR 9 HG1 THR 9 9.157 -7.665 -1.945
56 HG21 THR 9 HG21 THR 9 9.701 -4.826 -3.052
57 HG22 THR 9 HG22 THR 9 8.618 -4.747 -1.661
58 HG23 THR 9 HG23 THR 9 8.054 -4.227 -3.249
59 H TYR 10 H TYR 10 5.680 -8.012 -5.077
60 HA TYR 10 HA TYR 10 3.817 -9.448 -3.734
61 HB2 TYR 10 HB3 TYR 10 4.216 -11.182 -5.318
62 HB3 TYR 10 HB2 TYR 10 4.788 -9.708 -6.096
63 HD1 TYR 10 HD1 TYR 10 7.212 -9.238 -6.281
64 HD2 TYR 10 HD2 TYR 10 5.748 -12.914 -4.612
65 HE1 TYR 10 HE1 TYR 10 9.466 -10.243 -6.516
66 HE2 TYR 10 HE2 TYR 10 8.001 -13.920 -4.846
67 HH TYR 10 HH TYR 10 10.331 -13.189 -5.021
68 H ASN 11 H ASN 11 7.286 -9.738 -3.085
69 HA ASN 11 HA ASN 11 7.297 -12.184 -1.626
70 HB2 ASN 11 HB3 ASN 11 8.958 -9.806 -2.033
71 HB3 ASN 11 HB2 ASN 11 9.117 -10.444 -0.398
72 HD21 ASN 11 HD22 ASN 11 10.049 -12.580 -0.136
73 HD22 ASN 11 HD21 ASN 11 10.802 -13.393 -1.421
74 H GLU 12 H GLU 12 6.022 -9.039 -0.892
75 HA GLU 12 HA GLU 12 6.036 -9.031 1.911
76 HB2 GLU 12 HB3 GLU 12 3.933 -7.616 1.587
77 HB3 GLU 12 HB2 GLU 12 5.348 -7.095 0.677
78 HG2 GLU 12 HG3 GLU 12 3.957 -7.105 -1.122
79 HG3 GLU 12 HG2 GLU 12 4.163 -8.859 -1.079
80 H CYS 13 H CYS 13 3.584 -10.446 -0.295
81 HA CYS 13 HA CYS 13 1.889 -11.521 1.763
82 HB2 CYS 13 HB3 CYS 13 2.445 -12.142 -1.146
83 HB3 CYS 13 HB2 CYS 13 1.236 -13.038 -0.229
84 H ARG 14 H ARG 14 4.108 -13.277 -0.425
85 HA ARG 14 HA ARG 14 5.256 -15.317 -0.140
86 HB2 ARG 14 HB3 ARG 14 6.480 -13.646 1.257
87 HB3 ARG 14 HB2 ARG 14 5.505 -14.136 2.639
88 HG2 ARG 14 HG3 ARG 14 6.833 -16.335 1.158
89 HG3 ARG 14 HG2 ARG 14 7.908 -15.250 2.037
90 HD2 ARG 14 HD3 ARG 14 6.074 -15.609 3.965
91 HD3 ARG 14 HD2 ARG 14 5.861 -17.145 3.100
92 HE ARG 14 HE ARG 14 8.157 -17.695 3.570
93 HH11 ARG 14 HH11 ARG 14 7.036 -15.981 6.024
94 HH12 ARG 14 HH12 ARG 14 8.491 -15.136 6.433
95 HH21 ARG 14 HH22 ARG 14 10.130 -15.997 3.500
96 HH22 ARG 14 HH21 ARG 14 10.243 -15.144 5.003
97 H GLY 15 H GLY 15 3.252 -16.598 -0.323
98 HA2 GLY 15 HA3 GLY 15 2.880 -18.626 1.493
99 HA3 GLY 15 HA2 GLY 15 1.815 -17.360 2.104
100 H CYS 16 H CYS 16 0.591 -16.268 0.049
101 HA CYS 16 HA CYS 16 -1.294 -18.186 -0.874
102 HB2 CYS 16 HB3 CYS 16 -2.021 -16.277 -2.296
103 HB3 CYS 16 HB2 CYS 16 -1.714 -15.783 -0.638
104 H ARG 17 H ARG 17 1.792 -17.174 -2.181
105 HA ARG 17 HA ARG 17 3.016 -17.963 -4.041
106 HB2 ARG 17 HB3 ARG 17 0.894 -20.108 -4.253
107 HB3 ARG 17 HB2 ARG 17 2.611 -20.232 -4.630
108 HG2 ARG 17 HG3 ARG 17 2.663 -19.482 -1.982
109 HG3 ARG 17 HG2 ARG 17 1.234 -20.514 -2.044
110 HD2 ARG 17 HD3 ARG 17 3.017 -21.975 -3.542
111 HD3 ARG 17 HD2 ARG 17 4.078 -21.250 -2.317
112 HE ARG 17 HE ARG 17 1.668 -22.909 -1.705
113 HH11 ARG 17 HH22 ARG 17 4.935 -22.670 -1.202
114 HH12 ARG 17 HH21 ARG 17 4.878 -22.796 0.524
115 HH21 ARG 17 HH11 ARG 17 1.429 -22.491 0.698
116 HH22 ARG 17 HH12 ARG 17 2.893 -22.696 1.599
117 H TYR 18 H TYR 18 1.041 -15.937 -4.528
118 HA TYR 18 HA TYR 18 0.359 -16.593 -7.366
119 HB2 TYR 18 HB3 TYR 18 -1.428 -15.398 -5.228
120 HB3 TYR 18 HB2 TYR 18 -1.847 -15.447 -6.936
121 HD1 TYR 18 HD1 TYR 18 -0.960 -18.037 -7.846
122 HD2 TYR 18 HD2 TYR 18 -2.746 -16.954 -4.095
123 HE1 TYR 18 HE1 TYR 18 -1.812 -20.346 -7.586
124 HE2 TYR 18 HE2 TYR 18 -3.597 -19.263 -3.832
125 HH TYR 18 HH TYR 18 -4.144 -21.194 -5.243
126 H LYS 19 H LYS 19 -1.017 -14.021 -7.661
127 HA LYS 19 HA LYS 19 1.359 -12.285 -7.932
128 HB2 LYS 19 HB3 LYS 19 -1.543 -11.830 -8.706
129 HB3 LYS 19 HB2 LYS 19 -0.130 -10.999 -9.356
130 HG2 LYS 19 HG3 LYS 19 -0.571 -13.990 -9.606
131 HG3 LYS 19 HG2 LYS 19 -1.041 -12.829 -10.847
132 HD2 LYS 19 HD3 LYS 19 1.055 -12.950 -11.662
133 HD3 LYS 19 HD2 LYS 19 1.616 -12.170 -10.184
134 HE2 LYS 19 HE3 LYS 19 2.855 -14.228 -10.362
135 HE3 LYS 19 HE2 LYS 19 1.612 -14.521 -9.129
136 HZ1 LYS 19 HZ1 LYS 19 1.323 -15.130 -12.024
137 HZ2 LYS 19 HZ2 LYS 19 0.172 -15.441 -10.818
138 HZ3 LYS 19 HZ3 LYS 19 1.649 -16.281 -10.818
139 H CYS 20 H CYS 20 1.675 -10.421 -6.696
140 HA CYS 20 HA CYS 20 -0.494 -9.650 -4.776
141 HB2 CYS 20 HB3 CYS 20 2.380 -10.400 -4.339
142 HB3 CYS 20 HB2 CYS 20 1.601 -9.275 -3.225
143 H ARG 21 H ARG 21 -0.475 -7.408 -4.183
144 HA ARG 21 HA ARG 21 1.576 -5.575 -5.178
145 HB2 ARG 21 HB3 ARG 21 -0.823 -6.282 -6.741
146 HB3 ARG 21 HB2 ARG 21 -0.609 -4.546 -6.520
147 HG2 ARG 21 HG3 ARG 21 1.955 -5.397 -7.116
148 HG3 ARG 21 HG2 ARG 21 0.957 -6.425 -8.143
149 HD2 ARG 21 HD3 ARG 21 0.084 -4.613 -9.338
150 HD3 ARG 21 HD2 ARG 21 0.391 -3.468 -8.017
151 HE ARG 21 HE ARG 21 2.784 -4.740 -9.184
152 HH11 ARG 21 HH11 ARG 21 1.825 -1.960 -7.791
153 HH12 ARG 21 HH12 ARG 21 2.421 -0.879 -9.006
154 HH21 ARG 21 HH22 ARG 21 3.044 -3.393 -11.311
155 HH22 ARG 21 HH21 ARG 21 3.111 -1.690 -10.999
156 H ALA 22 H ALA 22 1.486 -3.740 -3.943
157 HA ALA 22 HA ALA 22 -0.795 -3.466 -2.060
158 HB1 ALA 22 HB1 ALA 22 1.706 -3.587 -1.453
159 HB2 ALA 22 HB2 ALA 22 0.785 -2.272 -0.724
160 HB3 ALA 22 HB3 ALA 22 1.825 -1.955 -2.113
161 H GLU 23 H GLU 23 -2.115 -1.604 -2.072
162 HA GLU 23 HA GLU 23 -1.438 0.536 -4.057
163 HB2 GLU 23 HB3 GLU 23 -4.139 -0.799 -3.714
164 HB3 GLU 23 HB2 GLU 23 -3.706 0.404 -4.927
165 HG2 GLU 23 HG3 GLU 23 -2.444 -2.336 -4.678
166 HG3 GLU 23 HG2 GLU 23 -3.696 -1.903 -5.840
167 H GLN 24 H GLN 24 -3.621 2.090 -3.812
168 HA GLN 24 HA GLN 24 -3.598 2.925 -0.959
169 HB2 GLN 24 HB3 GLN 24 -2.721 4.329 -2.997
170 HB3 GLN 24 HB2 GLN 24 -4.432 4.626 -3.293
171 HG2 GLN 24 HG3 GLN 24 -4.514 5.247 -0.758
172 HG3 GLN 24 HG2 GLN 24 -2.767 5.428 -0.919
173 HE21 GLN 24 HE22 GLN 24 -5.872 6.613 -2.261
174 HE22 GLN 24 HE21 GLN 24 -5.245 8.087 -2.825
175 H VAL 25 H VAL 25 -5.479 2.358 0.069
176 HA VAL 25 HA VAL 25 -8.032 2.561 -1.493
177 HB VAL 25 HB VAL 25 -7.541 0.243 -1.196
178 HG11 VAL 25 HG11 VAL 25 -5.731 0.411 0.406
179 HG12 VAL 25 HG12 VAL 25 -6.953 -0.680 1.061
180 HG13 VAL 25 HG13 VAL 25 -6.836 0.976 1.659
181 HG21 VAL 25 HG21 VAL 25 -9.383 -0.513 0.085
182 HG22 VAL 25 HG22 VAL 25 -9.846 1.116 -0.408
183 HG23 VAL 25 HG23 VAL 25 -9.249 0.825 1.226
184 HA PRO 26 HA PRO 26 -8.915 5.386 1.841
185 HB2 PRO 26 HB2 PRO 26 -11.480 5.977 1.102
186 HB3 PRO 26 HB3 PRO 26 -10.060 6.666 0.292
187 HG2 PRO 26 HG3 PRO 26 -11.822 4.427 -0.558
188 HG3 PRO 26 HG2 PRO 26 -11.053 5.692 -1.529
189 HD2 PRO 26 HD3 PRO 26 -10.117 3.129 -1.353
190 HD3 PRO 26 HD2 PRO 26 -9.093 4.535 -1.718
191 H VAL 27 H VAL 27 -9.138 4.271 3.758
192 HA VAL 27 HA VAL 27 -11.240 2.235 4.110
193 HB VAL 27 HB VAL 27 -8.869 2.092 4.957
194 HG11 VAL 27 HG11 VAL 27 -8.295 3.378 6.981
195 HG12 VAL 27 HG12 VAL 27 -9.839 4.223 6.884
196 HG13 VAL 27 HG13 VAL 27 -8.625 4.456 5.626
197 HG21 VAL 27 HG21 VAL 27 -9.558 1.350 7.286
198 HG22 VAL 27 HG22 VAL 27 -10.502 0.651 5.970
199 HG23 VAL 27 HG23 VAL 27 -11.165 1.978 6.924
200 H GLU 28 H GLU 28 -10.559 5.550 5.074
201 HA GLU 28 HA GLU 28 -13.333 6.037 5.777
202 HB2 GLU 28 HB3 GLU 28 -12.475 4.762 7.735
203 HB3 GLU 28 HB2 GLU 28 -11.215 5.977 7.951
204 HG2 GLU 28 HG3 GLU 28 -12.845 7.691 8.421
205 HG3 GLU 28 HG2 GLU 28 -14.174 6.621 7.976
206 H GLY 29 H GLY 29 -13.537 8.361 6.663
207 HA2 GLY 29 HA3 GLY 29 -12.452 10.553 6.968
208 HA3 GLY 29 HA2 GLY 29 -11.230 10.050 5.799
209 H ASN 30 H ASN 30 -13.558 12.205 6.006
210 HA ASN 30 HA ASN 30 -13.981 12.346 3.144
211 HB2 ASN 30 HB3 ASN 30 -16.576 12.241 3.585
212 HB3 ASN 30 HB2 ASN 30 -15.665 10.745 3.402
213 HD21 ASN 30 HD22 ASN 30 -17.961 12.188 5.356
214 HD22 ASN 30 HD21 ASN 30 -17.687 11.321 6.789
215 H ASP 31 H ASP 31 -16.568 13.558 5.089
216 HA ASP 31 HA ASP 31 -15.903 16.290 4.474
217 HB2 ASP 31 HB3 ASP 31 -18.079 14.736 5.520
218 HB3 ASP 31 HB2 ASP 31 -17.806 16.112 6.589
219 HA PRO 32 HA PRO 32 -14.819 16.631 9.103
220 HB2 PRO 32 HB2 PRO 32 -14.772 14.365 10.628
221 HB3 PRO 32 HB3 PRO 32 -16.237 15.339 10.393
222 HG2 PRO 32 HG3 PRO 32 -15.446 12.775 9.127
223 HG3 PRO 32 HG2 PRO 32 -17.048 13.355 9.604
224 HD2 PRO 32 HD3 PRO 32 -16.086 13.353 7.023
225 HD3 PRO 32 HD2 PRO 32 -17.392 14.401 7.616
226 H ILE 33 H ILE 33 -12.649 17.021 8.872
227 HA ILE 33 HA ILE 33 -10.385 16.627 8.277
228 HB ILE 33 HB ILE 33 -10.593 16.435 10.686
229 HG12 ILE 33 HG13 ILE 33 -8.871 14.195 9.600
230 HG13 ILE 33 HG12 ILE 33 -8.419 15.899 9.620
231 HG21 ILE 33 HG21 ILE 33 -12.290 14.781 10.976
232 HG22 ILE 33 HG22 ILE 33 -10.827 14.094 11.678
233 HG23 ILE 33 HG23 ILE 33 -11.368 13.573 10.087
234 HD11 ILE 33 HD11 ILE 33 -7.466 15.305 11.623
235 HD12 ILE 33 HD12 ILE 33 -8.576 13.957 11.869
236 HD13 ILE 33 HD13 ILE 33 -9.101 15.605 12.212
237 H ASN 34 H ASN 34 -10.513 15.676 6.149
238 HA ASN 34 HA ASN 34 -10.751 12.745 5.893
239 HB2 ASN 34 HB3 ASN 34 -10.488 13.307 3.474
240 HB3 ASN 34 HB2 ASN 34 -11.753 14.261 4.244
241 HD21 ASN 34 HD22 ASN 34 -8.747 14.449 2.529
242 HD22 ASN 34 HD21 ASN 34 -8.540 16.130 2.649
243 H SER 35 H SER 35 -8.893 11.779 6.786
244 HA SER 35 HA SER 35 -6.360 12.244 5.320
245 HB2 SER 35 HB3 SER 35 -5.748 12.151 8.107
246 HB3 SER 35 HB2 SER 35 -5.451 13.464 6.977
247 HG SER 35 HG SER 35 -7.118 13.459 8.976
248 H ALA 36 H ALA 36 -8.449 10.024 5.947
249 HA ALA 36 HA ALA 36 -6.643 8.030 7.190
250 HB1 ALA 36 HB1 ALA 36 -9.508 8.571 7.081
251 HB2 ALA 36 HB2 ALA 36 -8.599 7.615 8.251
252 HB3 ALA 36 HB3 ALA 36 -9.137 6.882 6.740
253 H TYR 37 H TYR 37 -5.362 7.976 5.128
254 HA TYR 37 HA TYR 37 -6.582 6.053 3.193
255 HB2 TYR 37 HB3 TYR 37 -5.017 8.550 2.454
256 HB3 TYR 37 HB2 TYR 37 -5.791 7.427 1.336
257 HD1 TYR 37 HD2 TYR 37 -6.352 10.078 3.837
258 HD2 TYR 37 HD1 TYR 37 -8.208 7.407 1.032
259 HE1 TYR 37 HE2 TYR 37 -8.468 11.360 4.017
260 HE2 TYR 37 HE1 TYR 37 -10.324 8.688 1.212
261 HH TYR 37 HH TYR 37 -11.412 10.203 2.944
262 H HIS 38 H HIS 38 -5.188 4.413 4.088
263 HA HIS 38 HA HIS 38 -2.260 4.913 3.969
264 HB2 HIS 38 HB3 HIS 38 -2.270 2.714 5.234
265 HB3 HIS 38 HB2 HIS 38 -3.072 4.043 6.052
266 HD1 HIS 38 HD1 HIS 38 -4.071 1.266 3.619
267 HD2 HIS 38 HD2 HIS 38 -5.575 3.294 6.935
268 HE1 HIS 38 HE1 HIS 38 -6.320 0.222 4.136
269 H TYR 39 H TYR 39 -1.225 2.505 3.566
270 HA TYR 39 HA TYR 39 -2.240 1.627 0.880
271 HB2 TYR 39 HB3 TYR 39 0.318 2.613 1.855
272 HB3 TYR 39 HB2 TYR 39 0.501 1.001 1.165
273 HD1 TYR 39 HD1 TYR 39 -0.817 4.418 0.481
274 HD2 TYR 39 HD2 TYR 39 0.391 0.647 -1.184
275 HE1 TYR 39 HE1 TYR 39 -0.966 5.378 -1.799
276 HE2 TYR 39 HE2 TYR 39 0.242 1.606 -3.465
277 HH TYR 39 HH TYR 39 -0.033 4.948 -4.039
278 H ARG 40 H ARG 40 -2.363 -0.627 0.565
279 HA ARG 40 HA ARG 40 -1.462 -2.370 2.832
280 HB2 ARG 40 HB3 ARG 40 -3.697 -3.579 2.427
281 HB3 ARG 40 HB2 ARG 40 -3.789 -2.005 3.215
282 HG2 ARG 40 HG3 ARG 40 -4.800 -1.017 1.425
283 HG3 ARG 40 HG2 ARG 40 -3.876 -1.955 0.253
284 HD2 ARG 40 HD3 ARG 40 -5.288 -3.975 0.949
285 HD3 ARG 40 HD2 ARG 40 -6.342 -2.819 1.788
286 HE ARG 40 HE ARG 40 -6.166 -1.627 -0.624
287 HH11 ARG 40 HH22 ARG 40 -7.888 -4.199 0.518
288 HH12 ARG 40 HH21 ARG 40 -8.208 -4.930 -1.019
289 HH21 ARG 40 HH11 ARG 40 -6.008 -2.882 -2.748
290 HH22 ARG 40 HH12 ARG 40 -7.143 -4.184 -2.868
291 H CYS 41 H CYS 41 -0.852 -4.482 2.180
292 HA CYS 41 HA CYS 41 -0.348 -4.795 -0.729
293 HB2 CYS 41 HB3 CYS 41 0.671 -6.836 1.139
294 HB3 CYS 41 HB2 CYS 41 1.530 -5.885 -0.058
295 H VAL 42 H VAL 42 -1.695 -6.141 -1.898
296 HA VAL 42 HA VAL 42 -3.254 -8.198 -0.384
297 HB VAL 42 HB VAL 42 -4.967 -7.705 -2.177
298 HG11 VAL 42 HG11 VAL 42 -4.607 -6.556 0.220
299 HG12 VAL 42 HG12 VAL 42 -5.916 -6.076 -0.859
300 HG13 VAL 42 HG13 VAL 42 -4.432 -5.125 -0.797
301 HG21 VAL 42 HG21 VAL 42 -4.742 -5.765 -3.550
302 HG22 VAL 42 HG22 VAL 42 -3.225 -6.651 -3.714
303 HG23 VAL 42 HG23 VAL 42 -3.308 -5.232 -2.670
304 H CYS 43 H CYS 43 -3.716 -10.159 -1.567
305 HA CYS 43 HA CYS 43 -1.790 -10.725 -3.751
306 HB2 CYS 43 HB3 CYS 43 -1.548 -12.011 -1.668
307 HB3 CYS 43 HB2 CYS 43 -3.233 -12.513 -1.774
308 H HIS 44 H HIS 44 -2.683 -10.928 -5.763
309 HA HIS 44 HA HIS 44 -5.577 -11.703 -5.958
310 HB2 HIS 44 HB3 HIS 44 -3.864 -10.018 -7.813
311 HB3 HIS 44 HB2 HIS 44 -5.591 -10.317 -7.989
312 HD1 HIS 44 HD1 HIS 44 -4.402 -7.434 -7.568
313 HD2 HIS 44 HD2 HIS 44 -5.962 -9.833 -4.536
314 HE1 HIS 44 HE1 HIS 44 -5.086 -5.870 -5.697
315 H ARG 45 H ARG 45 -5.993 -12.678 -8.258
316 HA ARG 45 HA ARG 45 -3.731 -14.265 -9.280
317 HB2 ARG 45 HB3 ARG 45 -4.684 -15.578 -7.454
318 HB3 ARG 45 HB2 ARG 45 -6.304 -15.374 -8.123
319 HG2 ARG 45 HG3 ARG 45 -5.771 -16.693 -10.049
320 HG3 ARG 45 HG2 ARG 45 -4.052 -16.689 -9.653
321 HD2 ARG 45 HD3 ARG 45 -4.859 -17.813 -7.402
322 HD3 ARG 45 HD2 ARG 45 -6.278 -18.251 -8.374
323 HE ARG 45 HE ARG 45 -3.522 -19.200 -8.826
324 HH11 ARG 45 HH11 ARG 45 -6.032 -20.898 -8.891
325 HH12 ARG 45 HH12 ARG 45 -6.212 -21.182 -10.590
326 HH21 ARG 45 HH22 ARG 45 -4.044 -18.637 -11.513
327 HH22 ARG 45 HH21 ARG 45 -5.087 -19.901 -12.075