NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653207 |
7a58   |
34487 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 1H VAL 1 -14.039 12.772 9.507
2 H2 VAL 1 2H VAL 1 -14.714 13.927 8.557
3 H3 VAL 1 3H VAL 1 -13.388 14.286 9.438
4 HA VAL 1 HA VAL 1 -12.725 14.041 7.203
5 HB VAL 1 HB VAL 1 -11.297 13.202 9.118
6 HG11 VAL 1 1HG1 VAL 1 -11.882 10.430 8.017
7 HG12 VAL 1 2HG1 VAL 1 -10.791 10.884 9.337
8 HG13 VAL 1 3HG1 VAL 1 -12.531 11.057 9.549
9 HG21 VAL 1 1HG2 VAL 1 -10.452 13.680 6.872
10 HG22 VAL 1 2HG2 VAL 1 -9.586 12.340 7.639
11 HG23 VAL 1 3HG2 VAL 1 -10.781 12.003 6.378
12 H THR 2 H THR 2 -12.769 12.926 5.155
13 HA THR 2 HA THR 2 -15.010 11.189 4.645
14 HB THR 2 HB THR 2 -12.542 11.834 2.985
15 HG1 THR 2 HG1 THR 2 -14.097 13.099 1.877
16 HG21 THR 2 1HG2 THR 2 -13.852 11.027 1.042
17 HG22 THR 2 2HG2 THR 2 -13.495 9.710 2.150
18 HG23 THR 2 3HG2 THR 2 -15.123 10.433 2.135
19 H LYS 3 H LYS 3 -15.158 8.994 4.431
20 HA LYS 3 HA LYS 3 -13.470 7.383 6.060
21 HB2 LYS 3 2HB LYS 3 -15.845 6.982 5.695
22 HB3 LYS 3 3HB LYS 3 -15.559 6.616 3.986
23 HG2 LYS 3 2HG LYS 3 -14.292 4.606 4.602
24 HG3 LYS 3 3HG LYS 3 -14.453 5.012 6.327
25 HD2 LYS 3 2HD LYS 3 -16.883 4.734 6.196
26 HD3 LYS 3 3HD LYS 3 -16.789 4.505 4.448
27 HE2 LYS 3 2HE LYS 3 -17.151 2.386 5.549
28 HE3 LYS 3 3HE LYS 3 -15.602 2.396 4.709
29 HZ1 LYS 3 1HZ LYS 3 -15.679 1.456 7.036
30 HZ2 LYS 3 2HZ LYS 3 -14.464 2.570 6.783
31 HZ3 LYS 3 3HZ LYS 3 -15.818 2.963 7.614
32 H LYS 4 H LYS 4 -11.822 6.063 5.705
33 HA LYS 4 HA LYS 4 -10.363 6.118 3.169
34 HB2 LYS 4 2HB LYS 4 -9.785 4.549 5.722
35 HB3 LYS 4 3HB LYS 4 -8.700 4.741 4.332
36 HG2 LYS 4 2HG LYS 4 -8.975 7.278 4.680
37 HG3 LYS 4 3HG LYS 4 -9.736 6.877 6.201
38 HD2 LYS 4 2HD LYS 4 -7.445 7.435 6.659
39 HD3 LYS 4 3HD LYS 4 -7.646 5.692 6.914
40 HE2 LYS 4 2HE LYS 4 -6.698 5.266 4.657
41 HE3 LYS 4 3HE LYS 4 -6.510 7.005 4.390
42 HZ1 LYS 4 1HZ LYS 4 -4.826 7.082 6.044
43 HZ2 LYS 4 2HZ LYS 4 -5.236 5.613 6.670
44 HZ3 LYS 4 3HZ LYS 4 -4.501 5.713 5.201
45 H ALA 5 H ALA 5 -9.562 4.253 2.118
46 HA ALA 5 HA ALA 5 -11.666 2.274 1.565
47 HB1 ALA 5 1HB ALA 5 -10.179 1.408 -0.144
48 HB2 ALA 5 2HB ALA 5 -10.261 3.175 -0.277
49 HB3 ALA 5 3HB ALA 5 -8.841 2.393 0.463
50 H SER 6 H SER 6 -11.777 0.193 2.274
51 HA SER 6 HA SER 6 -10.070 -0.779 4.404
52 HB2 SER 6 2HB SER 6 -11.352 -2.862 4.136
53 HB3 SER 6 3HB SER 6 -12.417 -1.449 4.181
54 HG SER 6 HG SER 6 -13.160 -2.503 2.494
55 H HIS 7 H HIS 7 -8.805 -2.821 4.253
56 HA HIS 7 HA HIS 7 -6.898 -2.795 2.068
57 HB2 HIS 7 2HB HIS 7 -7.429 -4.690 4.365
58 HB3 HIS 7 3HB HIS 7 -6.300 -5.115 3.079
59 HD2 HIS 7 HD2 HIS 7 -6.805 -2.062 5.491
60 HE1 HIS 7 HE1 HIS 7 -2.688 -2.235 4.418
61 HE2 HIS 7 HE2 HIS 7 -4.432 -0.931 5.735
62 H LYS 8 H LYS 8 -9.966 -4.415 2.424
63 HA LYS 8 HA LYS 8 -9.904 -6.019 0.013
64 HB2 LYS 8 2HB LYS 8 -11.450 -6.458 1.750
65 HB3 LYS 8 3HB LYS 8 -12.095 -4.826 1.703
66 HG2 LYS 8 2HG LYS 8 -13.568 -6.426 0.702
67 HG3 LYS 8 3HG LYS 8 -13.100 -5.198 -0.465
68 HD2 LYS 8 2HD LYS 8 -11.637 -6.765 -1.618
69 HD3 LYS 8 3HD LYS 8 -11.787 -7.948 -0.310
70 HE2 LYS 8 2HE LYS 8 -13.136 -8.614 -2.228
71 HE3 LYS 8 3HE LYS 8 -14.154 -8.293 -0.819
72 HZ1 LYS 8 1HZ LYS 8 -13.704 -6.301 -2.976
73 HZ2 LYS 8 2HZ LYS 8 -14.991 -7.332 -2.940
74 HZ3 LYS 8 3HZ LYS 8 -14.777 -6.177 -1.776
75 H ASP 9 H ASP 9 -11.428 -2.798 0.537
76 HA ASP 9 HA ASP 9 -11.962 -2.463 -2.247
77 HB2 ASP 9 2HB ASP 9 -12.159 -0.742 0.238
78 HB3 ASP 9 3HB ASP 9 -12.513 -0.099 -1.337
79 H ALA 10 H ALA 10 -9.098 -1.588 -0.462
80 HA ALA 10 HA ALA 10 -8.057 0.027 -2.706
81 HB1 ALA 10 1HB ALA 10 -6.718 -1.074 -0.205
82 HB2 ALA 10 2HB ALA 10 -6.030 0.120 -1.327
83 HB3 ALA 10 3HB ALA 10 -7.458 0.537 -0.362
84 H GLY 11 H GLY 11 -8.468 -3.331 -2.182
85 HA2 GLY 11 2HA GLY 11 -7.716 -5.166 -3.310
86 HA3 GLY 11 3HA GLY 11 -6.990 -4.084 -4.501
87 H TYR 12 H TYR 12 -6.155 -4.336 -1.016
88 HA TYR 12 HA TYR 12 -3.333 -4.417 -1.435
89 HB2 TYR 12 2HB TYR 12 -4.331 -3.704 0.675
90 HB3 TYR 12 3HB TYR 12 -5.049 -5.288 0.919
91 HD1 TYR 12 HD1 TYR 12 -1.878 -3.381 0.968
92 HD2 TYR 12 HD2 TYR 12 -3.762 -7.189 1.741
93 HE1 TYR 12 HE1 TYR 12 0.138 -4.144 2.225
94 HE2 TYR 12 HE2 TYR 12 -1.734 -7.948 2.967
95 HH TYR 12 HH TYR 12 0.421 -7.404 3.654
96 H GLN 13 H GLN 13 -1.844 -6.034 -1.455
97 HA GLN 13 HA GLN 13 -2.699 -8.874 -1.430
98 HB2 GLN 13 2HB GLN 13 -0.964 -9.245 -3.280
99 HB3 GLN 13 3HB GLN 13 -2.533 -8.606 -3.717
100 HG2 GLN 13 2HG GLN 13 -1.550 -6.309 -3.874
101 HG3 GLN 13 3HG GLN 13 0.029 -6.980 -3.466
102 HE21 GLN 13 1HE2 GLN 13 1.173 -6.579 -5.223
103 HE22 GLN 13 2HE2 GLN 13 0.842 -7.428 -6.720
104 H GLU 14 H GLU 14 -1.183 -10.367 -0.734
105 HA GLU 14 HA GLU 14 0.597 -9.370 1.296
106 HB2 GLU 14 2HB GLU 14 0.984 -11.652 1.873
107 HB3 GLU 14 3HB GLU 14 -0.728 -11.419 1.506
108 HG2 GLU 14 2HG GLU 14 -0.404 -12.400 -0.728
109 HG3 GLU 14 3HG GLU 14 1.309 -12.665 -0.386
110 H SER 15 H SER 15 1.196 -9.631 -1.987
111 HA SER 15 HA SER 15 4.089 -9.336 -1.453
112 HB2 SER 15 2HB SER 15 4.545 -10.602 -3.659
113 HB3 SER 15 3HB SER 15 4.279 -11.478 -2.165
114 HG SER 15 HG SER 15 2.463 -11.031 -4.327
115 HA PRO 16 HA PRO 16 3.624 -5.777 -3.903
116 HB2 PRO 16 2HB PRO 16 6.169 -5.178 -4.636
117 HB3 PRO 16 3HB PRO 16 5.654 -5.204 -2.920
118 HG2 PRO 16 2HG PRO 16 7.120 -7.355 -4.466
119 HG3 PRO 16 3HG PRO 16 7.464 -6.740 -2.820
120 HD2 PRO 16 2HD PRO 16 5.999 -9.029 -3.386
121 HD3 PRO 16 3HD PRO 16 5.787 -8.110 -1.888
122 H ASN 17 H ASN 17 4.081 -4.807 -6.175
123 HA ASN 17 HA ASN 17 3.736 -7.004 -8.194
124 HB2 ASN 17 2HB ASN 17 1.709 -5.723 -7.781
125 HB3 ASN 17 3HB ASN 17 2.552 -4.219 -8.038
126 HD21 ASN 17 1HD2 ASN 17 0.564 -4.151 -9.580
127 HD22 ASN 17 2HD2 ASN 17 0.826 -4.792 -11.189
128 H GLY 18 H GLY 18 5.931 -7.271 -8.737
129 HA2 GLY 18 2HA GLY 18 7.935 -6.821 -9.779
130 HA3 GLY 18 3HA GLY 18 7.069 -5.619 -10.721
131 H ALA 19 H ALA 19 7.868 -3.655 -10.531
132 HA ALA 19 HA ALA 19 9.573 -2.837 -8.271
133 HB1 ALA 19 1HB ALA 19 8.781 -1.375 -10.822
134 HB2 ALA 19 2HB ALA 19 10.087 -0.926 -9.698
135 HB3 ALA 19 3HB ALA 19 10.200 -2.430 -10.624
136 H LYS 20 H LYS 20 6.221 -2.773 -8.687
137 HA LYS 20 HA LYS 20 5.799 -0.107 -7.455
138 HB2 LYS 20 2HB LYS 20 3.727 -2.095 -8.472
139 HB3 LYS 20 3HB LYS 20 3.478 -0.436 -7.936
140 HG2 LYS 20 2HG LYS 20 3.412 -0.094 -10.151
141 HG3 LYS 20 3HG LYS 20 5.122 0.204 -9.856
142 HD2 LYS 20 2HD LYS 20 5.668 -2.062 -10.714
143 HD3 LYS 20 3HD LYS 20 3.934 -2.406 -10.918
144 HE2 LYS 20 2HE LYS 20 3.752 -0.476 -12.470
145 HE3 LYS 20 3HE LYS 20 5.477 -0.151 -12.275
146 HZ1 LYS 20 1HZ LYS 20 5.924 -2.335 -13.288
147 HZ2 LYS 20 2HZ LYS 20 4.313 -2.607 -13.485
148 HZ3 LYS 20 3HZ LYS 20 5.018 -1.389 -14.289
149 H ARG 21 H ARG 21 5.790 0.053 -5.347
150 HA ARG 21 HA ARG 21 4.682 -2.013 -3.530
151 HB2 ARG 21 2HB ARG 21 6.750 -2.971 -3.589
152 HB3 ARG 21 3HB ARG 21 7.583 -1.499 -4.066
153 HG2 ARG 21 2HG ARG 21 7.705 -0.666 -1.860
154 HG3 ARG 21 3HG ARG 21 6.566 -1.871 -1.231
155 HD2 ARG 21 2HD ARG 21 8.144 -3.661 -1.721
156 HD3 ARG 21 3HD ARG 21 9.281 -2.500 -2.441
157 HE ARG 21 HE ARG 21 8.457 -2.035 0.370
158 HH11 ARG 21 1HH1 ARG 21 10.696 -3.876 -1.539
159 HH12 ARG 21 2HH1 ARG 21 12.037 -3.635 -0.438
160 HH21 ARG 21 1HH2 ARG 21 10.283 -1.717 1.798
161 HH22 ARG 21 2HH2 ARG 21 11.686 -2.724 1.488
162 H CYS 22 H CYS 22 4.122 -1.287 -1.536
163 HA CYS 22 HA CYS 22 3.496 1.399 -0.997
164 HB2 CYS 22 2HB CYS 22 3.903 -1.063 0.762
165 HB3 CYS 22 3HB CYS 22 3.181 0.457 1.327
166 H GLY 23 H GLY 23 6.225 -0.452 0.487
167 HA2 GLY 23 2HA GLY 23 7.466 1.637 1.851
168 HA3 GLY 23 3HA GLY 23 8.268 0.186 1.253
169 H THR 24 H THR 24 7.307 1.515 -1.578
170 HA THR 24 HA THR 24 9.391 3.645 -1.697
171 HB THR 24 HB THR 24 9.937 3.019 -3.967
172 HG1 THR 24 HG1 THR 24 8.163 1.968 -4.735
173 HG21 THR 24 1HG2 THR 24 11.226 1.044 -3.567
174 HG22 THR 24 2HG2 THR 24 11.227 2.017 -2.089
175 HG23 THR 24 3HG2 THR 24 10.200 0.568 -2.199
176 H CYS 25 H CYS 25 6.118 3.046 -1.891
177 HA CYS 25 HA CYS 25 5.291 4.615 -4.120
178 HB2 CYS 25 2HB CYS 25 3.889 2.874 -3.116
179 HB3 CYS 25 3HB CYS 25 3.877 3.730 -1.566
180 H ARG 26 H ARG 26 4.477 6.648 -4.313
181 HA ARG 26 HA ARG 26 5.425 8.755 -2.627
182 HB2 ARG 26 2HB ARG 26 4.537 10.205 -4.177
183 HB3 ARG 26 3HB ARG 26 4.845 8.781 -5.149
184 HG2 ARG 26 2HG ARG 26 2.397 8.179 -4.976
185 HG3 ARG 26 3HG ARG 26 2.143 9.650 -4.022
186 HD2 ARG 26 2HD ARG 26 3.073 10.965 -6.017
187 HD3 ARG 26 3HD ARG 26 2.926 9.473 -6.940
188 HE ARG 26 HE ARG 26 0.622 9.768 -7.050
189 HH11 ARG 26 1HH1 ARG 26 1.857 12.151 -4.702
190 HH12 ARG 26 2HH1 ARG 26 0.236 12.835 -4.571
191 HH21 ARG 26 1HH2 ARG 26 -1.351 10.786 -6.699
192 HH22 ARG 26 2HH2 ARG 26 -1.349 12.240 -5.684
193 H GLN 27 H GLN 27 2.687 6.775 -2.132
194 HA GLN 27 HA GLN 27 1.132 8.866 -0.721
195 HB2 GLN 27 2HB GLN 27 0.428 5.972 -1.260
196 HB3 GLN 27 3HB GLN 27 -0.678 7.254 -0.808
197 HG2 GLN 27 2HG GLN 27 0.759 6.991 -3.493
198 HG3 GLN 27 3HG GLN 27 -0.912 6.605 -3.152
199 HE21 GLN 27 1HE2 GLN 27 -1.623 8.048 -4.826
200 HE22 GLN 27 2HE2 GLN 27 -1.600 9.780 -4.513
201 H PHE 28 H PHE 28 3.401 6.547 0.203
202 HA PHE 28 HA PHE 28 1.991 5.074 2.129
203 HB2 PHE 28 2HB PHE 28 3.875 4.333 0.779
204 HB3 PHE 28 3HB PHE 28 4.935 5.469 1.597
205 HD1 PHE 28 HD1 PHE 28 2.734 2.490 2.330
206 HD2 PHE 28 HD2 PHE 28 6.263 4.729 3.358
207 HE1 PHE 28 HE1 PHE 28 3.446 0.675 3.889
208 HE2 PHE 28 HE2 PHE 28 6.928 2.952 4.960
209 HZ PHE 28 HZ PHE 28 5.537 0.916 5.211
210 H ARG 29 H ARG 29 3.874 7.987 2.683
211 HA ARG 29 HA ARG 29 4.818 8.972 4.511
212 HB2 ARG 29 2HB ARG 29 2.095 8.386 5.618
213 HB3 ARG 29 3HB ARG 29 3.305 9.334 6.461
214 HG2 ARG 29 2HG ARG 29 1.879 10.870 5.372
215 HG3 ARG 29 3HG ARG 29 3.434 10.924 4.535
216 HD2 ARG 29 2HD ARG 29 2.546 9.628 2.693
217 HD3 ARG 29 3HD ARG 29 1.125 9.206 3.608
218 HE ARG 29 HE ARG 29 0.526 11.694 3.498
219 HH11 ARG 29 1HH1 ARG 29 2.724 10.527 0.961
220 HH12 ARG 29 2HH1 ARG 29 2.004 11.636 -0.186
221 HH21 ARG 29 1HH2 ARG 29 -0.176 13.051 2.014
222 HH22 ARG 29 2HH2 ARG 29 0.499 13.051 0.388
223 HA PRO 30 HA PRO 30 6.575 5.143 6.443
224 HB2 PRO 30 2HB PRO 30 8.777 7.214 6.676
225 HB3 PRO 30 3HB PRO 30 8.925 5.455 6.386
226 HG2 PRO 30 2HG PRO 30 9.107 7.196 4.322
227 HG3 PRO 30 3HG PRO 30 8.137 5.702 4.132
228 HD2 PRO 30 2HD PRO 30 7.200 8.515 4.730
229 HD3 PRO 30 3HD PRO 30 6.493 7.311 3.609
230 HA PRO 31 HA PRO 31 7.774 4.062 8.215
231 HB2 PRO 31 2HB PRO 31 6.957 2.639 10.388
232 HB3 PRO 31 3HB PRO 31 8.303 3.819 10.436
233 HG2 PRO 31 2HG PRO 31 5.402 4.307 11.207
234 HG3 PRO 31 3HG PRO 31 6.872 4.639 12.183
235 HD2 PRO 31 2HD PRO 31 5.737 6.593 10.695
236 HD3 PRO 31 3HD PRO 31 7.511 6.438 10.777
237 H SER 32 H SER 32 4.305 4.706 8.911
238 HA SER 32 HA SER 32 3.450 2.833 6.863
239 HB2 SER 32 2HB SER 32 4.064 1.225 8.673
240 HB3 SER 32 3HB SER 32 2.956 2.066 9.759
241 HG SER 32 HG SER 32 2.456 0.375 7.587
242 H SER 33 H SER 33 2.388 5.052 6.334
243 HA SER 33 HA SER 33 -0.370 4.921 7.373
244 HB2 SER 33 2HB SER 33 1.245 7.470 7.717
245 HB3 SER 33 3HB SER 33 -0.524 7.278 7.849
246 HG SER 33 HG SER 33 0.585 5.397 9.334
247 H CYS 34 H CYS 34 -0.288 4.157 5.161
248 HA CYS 34 HA CYS 34 -0.038 5.849 2.875
249 HB2 CYS 34 2HB CYS 34 -0.049 3.454 2.556
250 HB3 CYS 34 3HB CYS 34 -1.656 3.313 3.322
251 H ILE 35 H ILE 35 -1.327 7.340 1.941
252 HA ILE 35 HA ILE 35 -3.846 8.046 3.289
253 HB ILE 35 HB ILE 35 -3.962 9.968 1.829
254 HG12 ILE 35 2HG1 ILE 35 -2.027 10.688 0.491
255 HG13 ILE 35 3HG1 ILE 35 -1.298 9.093 0.631
256 HG21 ILE 35 1HG2 ILE 35 -1.275 9.616 3.192
257 HG22 ILE 35 2HG2 ILE 35 -2.086 11.155 2.817
258 HG23 ILE 35 3HG2 ILE 35 -2.816 10.039 3.974
259 HD11 ILE 35 1HD1 ILE 35 -3.024 8.116 -0.748
260 HD12 ILE 35 2HD1 ILE 35 -4.047 9.571 -0.610
261 HD13 ILE 35 3HD1 ILE 35 -2.546 9.616 -1.539
262 H THR 36 H THR 36 -3.186 5.768 0.941
263 HA THR 36 HA THR 36 -5.750 6.074 -0.508
264 HB THR 36 HB THR 36 -3.524 4.027 -0.773
265 HG1 THR 36 HG1 THR 36 -2.738 5.306 -2.164
266 HG21 THR 36 1HG2 THR 36 -5.588 3.070 -1.686
267 HG22 THR 36 2HG2 THR 36 -5.897 4.567 -2.601
268 HG23 THR 36 3HG2 THR 36 -4.495 3.541 -2.986
269 H VAL 37 H VAL 37 -4.379 4.062 2.085
270 HA VAL 37 HA VAL 37 -6.940 2.540 2.283
271 HB VAL 37 HB VAL 37 -5.231 1.352 0.931
272 HG11 VAL 37 1HG1 VAL 37 -3.641 1.125 3.518
273 HG12 VAL 37 2HG1 VAL 37 -3.306 0.299 1.979
274 HG13 VAL 37 3HG1 VAL 37 -3.175 2.051 2.070
275 HG21 VAL 37 1HG2 VAL 37 -6.979 0.095 2.121
276 HG22 VAL 37 2HG2 VAL 37 -5.469 -0.818 1.949
277 HG23 VAL 37 3HG2 VAL 37 -5.885 -0.103 3.507
278 H GLU 38 H GLU 38 -7.329 1.471 4.306
279 HA GLU 38 HA GLU 38 -6.844 2.900 6.685
280 HB2 GLU 38 2HB GLU 38 -7.605 0.022 6.105
281 HB3 GLU 38 3HB GLU 38 -7.460 0.585 7.759
282 HG2 GLU 38 2HG GLU 38 -9.319 1.921 5.757
283 HG3 GLU 38 3HG GLU 38 -9.758 0.539 6.767
284 H SER 39 H SER 39 -5.810 2.282 8.629
285 HA SER 39 HA SER 39 -2.960 1.562 8.150
286 HB2 SER 39 2HB SER 39 -3.332 3.801 8.915
287 HB3 SER 39 3HB SER 39 -4.301 3.205 10.272
288 HG SER 39 HG SER 39 -2.345 3.656 11.071
289 HA PRO 40 HA PRO 40 -1.065 0.897 9.324
290 HB2 PRO 40 2HB PRO 40 0.453 -1.295 9.717
291 HB3 PRO 40 3HB PRO 40 -0.123 -0.297 11.084
292 HG2 PRO 40 2HG PRO 40 -1.390 -2.842 9.991
293 HG3 PRO 40 3HG PRO 40 -0.925 -2.488 11.688
294 HD2 PRO 40 2HD PRO 40 -3.465 -2.088 10.786
295 HD3 PRO 40 3HD PRO 40 -2.713 -0.971 11.958
296 H ILE 41 H ILE 41 0.505 0.094 7.709
297 HA ILE 41 HA ILE 41 -0.538 -1.715 5.609
298 HB ILE 41 HB ILE 41 -1.139 0.465 4.821
299 HG12 ILE 41 2HG1 ILE 41 0.188 0.736 2.751
300 HG13 ILE 41 3HG1 ILE 41 1.402 -0.380 3.365
301 HG21 ILE 41 1HG2 ILE 41 0.233 1.938 6.171
302 HG22 ILE 41 2HG2 ILE 41 1.713 1.374 5.372
303 HG23 ILE 41 3HG2 ILE 41 0.518 2.297 4.464
304 HD11 ILE 41 1HD1 ILE 41 -0.317 -2.192 3.400
305 HD12 ILE 41 2HD1 ILE 41 -1.520 -1.035 2.789
306 HD13 ILE 41 3HD1 ILE 41 -0.126 -1.478 1.789
307 H SER 42 H SER 42 0.943 -3.160 4.937
308 HA SER 42 HA SER 42 3.491 -3.389 6.205
309 HB2 SER 42 2HB SER 42 2.092 -5.285 5.360
310 HB3 SER 42 3HB SER 42 2.508 -4.803 3.703
311 HG SER 42 HG SER 42 3.929 -6.396 4.345
312 H GLU 43 H GLU 43 5.619 -3.484 5.270
313 HA GLU 43 HA GLU 43 6.437 -1.316 3.660
314 HB2 GLU 43 2HB GLU 43 8.611 -2.434 3.609
315 HB3 GLU 43 3HB GLU 43 7.916 -2.484 5.222
316 HG2 GLU 43 2HG GLU 43 7.244 -4.830 4.914
317 HG3 GLU 43 3HG GLU 43 7.821 -4.785 3.266
318 H ASN 44 H ASN 44 5.317 -4.514 2.559
319 HA ASN 44 HA ASN 44 6.478 -4.139 -0.113
320 HB2 ASN 44 2HB ASN 44 5.534 -6.361 1.643
321 HB3 ASN 44 3HB ASN 44 5.128 -6.556 -0.032
322 HD21 ASN 44 1HD2 ASN 44 6.445 -8.499 0.523
323 HD22 ASN 44 2HD2 ASN 44 8.069 -8.323 -0.089
324 H GLY 45 H GLY 45 3.215 -5.336 0.811
325 HA2 GLY 45 2HA GLY 45 1.122 -4.729 0.204
326 HA3 GLY 45 3HA GLY 45 1.721 -3.080 0.173
327 H TRP 46 H TRP 46 1.587 -2.072 -1.675
328 HA TRP 46 HA TRP 46 1.019 -1.508 -3.793
329 HB2 TRP 46 2HB TRP 46 2.279 -3.353 -4.813
330 HB3 TRP 46 3HB TRP 46 0.899 -4.422 -4.586
331 HD1 TRP 46 HD1 TRP 46 2.089 -1.574 -6.725
332 HE1 TRP 46 HE1 TRP 46 0.604 -1.337 -8.821
333 HE3 TRP 46 HE3 TRP 46 -1.696 -4.716 -5.380
334 HZ2 TRP 46 HZ2 TRP 46 -1.744 -2.637 -9.899
335 HZ3 TRP 46 HZ3 TRP 46 -3.571 -5.182 -6.935
336 HH2 TRP 46 HH2 TRP 46 -3.591 -4.170 -9.213
337 H CYS 47 H CYS 47 -0.840 -0.867 -4.552
338 HA CYS 47 HA CYS 47 -3.384 -2.199 -3.740
339 HB2 CYS 47 2HB CYS 47 -4.329 0.059 -3.433
340 HB3 CYS 47 3HB CYS 47 -2.913 -0.151 -2.403
341 H ARG 48 H ARG 48 -5.176 -1.748 -5.116
342 HA ARG 48 HA ARG 48 -4.624 -1.857 -7.971
343 HB2 ARG 48 2HB ARG 48 -7.131 -1.896 -6.257
344 HB3 ARG 48 3HB ARG 48 -7.258 -1.695 -8.000
345 HG2 ARG 48 2HG ARG 48 -6.010 -3.778 -8.390
346 HG3 ARG 48 3HG ARG 48 -5.925 -4.066 -6.640
347 HD2 ARG 48 2HD ARG 48 -8.345 -4.256 -6.491
348 HD3 ARG 48 3HD ARG 48 -8.545 -3.670 -8.151
349 HE ARG 48 HE ARG 48 -6.937 -6.066 -8.122
350 HH11 ARG 48 1HH1 ARG 48 -10.328 -5.145 -7.773
351 HH12 ARG 48 2HH1 ARG 48 -10.868 -6.610 -8.564
352 HH21 ARG 48 1HH2 ARG 48 -7.684 -7.816 -9.121
353 HH22 ARG 48 2HH2 ARG 48 -9.393 -8.168 -9.195
354 H LEU 49 H LEU 49 -4.262 0.841 -6.230
355 HA LEU 49 HA LEU 49 -5.440 2.615 -8.324
356 HB2 LEU 49 2HB LEU 49 -6.178 3.107 -6.025
357 HB3 LEU 49 3HB LEU 49 -4.497 3.253 -5.511
358 HG LEU 49 HG LEU 49 -4.205 5.203 -7.055
359 HD11 LEU 49 1HD1 LEU 49 -7.207 4.893 -7.498
360 HD12 LEU 49 2HD1 LEU 49 -6.240 6.307 -7.966
361 HD13 LEU 49 3HD1 LEU 49 -5.941 4.753 -8.740
362 HD21 LEU 49 1HD2 LEU 49 -6.508 5.426 -5.080
363 HD22 LEU 49 2HD2 LEU 49 -4.773 5.557 -4.707
364 HD23 LEU 49 3HD2 LEU 49 -5.546 6.781 -5.719
365 H TYR 50 H TYR 50 -4.108 3.389 -9.789
366 HA TYR 50 HA TYR 50 -1.272 2.937 -9.809
367 HB2 TYR 50 2HB TYR 50 -2.525 2.854 -11.836
368 HB3 TYR 50 3HB TYR 50 -3.257 4.426 -11.545
369 HD1 TYR 50 HD1 TYR 50 -0.099 2.731 -12.552
370 HD2 TYR 50 HD2 TYR 50 -2.226 6.469 -12.197
371 HE1 TYR 50 HE1 TYR 50 1.643 3.854 -13.929
372 HE2 TYR 50 HE2 TYR 50 -0.489 7.589 -13.567
373 HH TYR 50 HH TYR 50 2.325 5.799 -14.889
374 H ALA 51 H ALA 51 0.443 4.409 -9.912
375 HA ALA 51 HA ALA 51 -0.073 7.258 -9.389
376 HB1 ALA 51 1HB ALA 51 0.512 6.269 -7.172
377 HB2 ALA 51 2HB ALA 51 2.037 5.676 -7.866
378 HB3 ALA 51 3HB ALA 51 1.731 7.422 -7.743
379 H GLY 52 H GLY 52 1.241 8.624 -10.510
380 HA2 GLY 52 2HA GLY 52 2.787 7.662 -12.706
381 HA3 GLY 52 3HA GLY 52 2.603 9.340 -12.209
382 H LYS 53 H LYS 53 3.749 8.249 -9.494
383 HA LYS 53 HA LYS 53 6.595 8.769 -10.013
384 HB2 LYS 53 2HB LYS 53 4.844 8.614 -7.570
385 HB3 LYS 53 3HB LYS 53 6.533 8.184 -7.406
386 HG2 LYS 53 2HG LYS 53 6.291 10.472 -6.804
387 HG3 LYS 53 3HG LYS 53 7.270 10.327 -8.264
388 HD2 LYS 53 2HD LYS 53 5.321 11.018 -9.641
389 HD3 LYS 53 3HD LYS 53 4.346 11.184 -8.160
390 HE2 LYS 53 2HE LYS 53 5.971 12.858 -7.294
391 HE3 LYS 53 3HE LYS 53 6.941 12.672 -8.766
392 HZ1 LYS 53 1HZ LYS 53 5.551 14.578 -8.985
393 HZ2 LYS 53 2HZ LYS 53 4.979 13.444 -10.024
394 HZ3 LYS 53 3HZ LYS 53 4.186 13.747 -8.610
395 H ALA 54 H ALA 54 7.799 7.282 -10.615
396 HA ALA 54 HA ALA 54 7.287 4.464 -10.648
397 HB1 ALA 54 1HB ALA 54 8.737 5.644 -12.282
398 HB2 ALA 54 2HB ALA 54 9.924 5.952 -10.994
399 HB3 ALA 54 3HB ALA 54 9.575 4.290 -11.503
Start of MODEL 2
1 H1 VAL 1 1H VAL 1 -8.185 11.046 13.590
2 H2 VAL 1 2H VAL 1 -8.478 9.926 14.744
3 H3 VAL 1 3H VAL 1 -8.187 11.481 15.180
4 HA VAL 1 HA VAL 1 -10.478 11.171 15.421
5 HB VAL 1 HB VAL 1 -10.174 12.583 12.752
6 HG11 VAL 1 1HG1 VAL 1 -12.162 12.898 15.040
7 HG12 VAL 1 2HG1 VAL 1 -12.070 13.940 13.606
8 HG13 VAL 1 3HG1 VAL 1 -12.509 12.246 13.424
9 HG21 VAL 1 1HG2 VAL 1 -9.769 13.696 15.566
10 HG22 VAL 1 2HG2 VAL 1 -8.521 13.560 14.300
11 HG23 VAL 1 3HG2 VAL 1 -9.874 14.658 14.078
12 H THR 2 H THR 2 -9.642 10.160 12.007
13 HA THR 2 HA THR 2 -12.042 8.359 12.123
14 HB THR 2 HB THR 2 -11.272 10.121 9.775
15 HG1 THR 2 HG1 THR 2 -12.867 11.425 10.401
16 HG21 THR 2 1HG2 THR 2 -13.576 9.528 8.998
17 HG22 THR 2 2HG2 THR 2 -12.513 8.122 9.063
18 HG23 THR 2 3HG2 THR 2 -13.719 8.380 10.346
19 H LYS 3 H LYS 3 -11.710 6.313 11.551
20 HA LYS 3 HA LYS 3 -9.198 5.251 10.666
21 HB2 LYS 3 2HB LYS 3 -11.936 4.213 11.233
22 HB3 LYS 3 3HB LYS 3 -11.120 3.352 9.936
23 HG2 LYS 3 2HG LYS 3 -9.117 3.105 11.402
24 HG3 LYS 3 3HG LYS 3 -10.056 3.751 12.759
25 HD2 LYS 3 2HD LYS 3 -11.633 1.893 12.573
26 HD3 LYS 3 3HD LYS 3 -10.865 1.309 11.102
27 HE2 LYS 3 2HE LYS 3 -9.580 1.390 13.867
28 HE3 LYS 3 3HE LYS 3 -10.235 -0.043 13.073
29 HZ1 LYS 3 1HZ LYS 3 -7.875 1.520 12.208
30 HZ2 LYS 3 2HZ LYS 3 -7.869 -0.011 12.743
31 HZ3 LYS 3 3HZ LYS 3 -8.542 0.360 11.271
32 H LYS 4 H LYS 4 -8.558 4.242 8.730
33 HA LYS 4 HA LYS 4 -9.535 5.581 6.267
34 HB2 LYS 4 2HB LYS 4 -7.076 3.964 7.009
35 HB3 LYS 4 3HB LYS 4 -7.410 4.336 5.332
36 HG2 LYS 4 2HG LYS 4 -7.631 6.613 7.189
37 HG3 LYS 4 3HG LYS 4 -5.999 5.951 7.007
38 HD2 LYS 4 2HD LYS 4 -6.293 7.849 5.579
39 HD3 LYS 4 3HD LYS 4 -6.115 6.403 4.578
40 HE2 LYS 4 2HE LYS 4 -8.445 6.334 4.083
41 HE3 LYS 4 3HE LYS 4 -8.852 7.478 5.370
42 HZ1 LYS 4 1HZ LYS 4 -8.832 8.406 3.053
43 HZ2 LYS 4 2HZ LYS 4 -7.907 9.257 4.150
44 HZ3 LYS 4 3HZ LYS 4 -7.205 8.275 3.054
45 H ALA 5 H ALA 5 -9.169 4.135 4.277
46 HA ALA 5 HA ALA 5 -11.474 2.326 4.227
47 HB1 ALA 5 1HB ALA 5 -11.061 2.200 1.826
48 HB2 ALA 5 2HB ALA 5 -10.976 3.885 2.369
49 HB3 ALA 5 3HB ALA 5 -9.481 2.985 2.024
50 H SER 6 H SER 6 -11.483 0.042 3.516
51 HA SER 6 HA SER 6 -9.446 -1.419 4.947
52 HB2 SER 6 2HB SER 6 -10.687 -3.325 4.657
53 HB3 SER 6 3HB SER 6 -11.924 -2.066 4.631
54 HG SER 6 HG SER 6 -12.244 -3.544 2.947
55 H HIS 7 H HIS 7 -8.199 -3.260 4.124
56 HA HIS 7 HA HIS 7 -6.438 -2.586 1.958
57 HB2 HIS 7 2HB HIS 7 -7.079 -5.264 3.269
58 HB3 HIS 7 3HB HIS 7 -5.829 -5.036 2.060
59 HD2 HIS 7 HD2 HIS 7 -5.993 -2.287 4.731
60 HE1 HIS 7 HE1 HIS 7 -2.608 -4.710 5.596
61 HE2 HIS 7 HE2 HIS 7 -3.786 -2.534 6.150
62 H LYS 8 H LYS 8 -9.370 -4.544 2.013
63 HA LYS 8 HA LYS 8 -9.290 -5.588 -0.678
64 HB2 LYS 8 2HB LYS 8 -11.715 -4.964 1.078
65 HB3 LYS 8 3HB LYS 8 -11.680 -6.052 -0.281
66 HG2 LYS 8 2HG LYS 8 -10.182 -6.455 2.358
67 HG3 LYS 8 3HG LYS 8 -11.752 -7.132 1.950
68 HD2 LYS 8 2HD LYS 8 -10.734 -8.393 0.069
69 HD3 LYS 8 3HD LYS 8 -9.133 -7.749 0.516
70 HE2 LYS 8 2HE LYS 8 -9.304 -8.790 2.731
71 HE3 LYS 8 3HE LYS 8 -10.945 -9.345 2.385
72 HZ1 LYS 8 1HZ LYS 8 -9.296 -11.080 2.109
73 HZ2 LYS 8 2HZ LYS 8 -10.063 -10.799 0.678
74 HZ3 LYS 8 3HZ LYS 8 -8.521 -10.244 0.925
75 H ASP 9 H ASP 9 -11.096 -2.921 0.768
76 HA ASP 9 HA ASP 9 -12.361 -1.941 -1.543
77 HB2 ASP 9 2HB ASP 9 -12.682 -1.415 1.010
78 HB3 ASP 9 3HB ASP 9 -11.533 -0.127 0.718
79 H ALA 10 H ALA 10 -9.240 -1.001 -0.160
80 HA ALA 10 HA ALA 10 -8.689 1.068 -2.118
81 HB1 ALA 10 1HB ALA 10 -6.842 -0.387 -0.189
82 HB2 ALA 10 2HB ALA 10 -6.527 1.151 -1.027
83 HB3 ALA 10 3HB ALA 10 -7.815 1.054 0.197
84 H GLY 11 H GLY 11 -8.476 -2.361 -2.416
85 HA2 GLY 11 2HA GLY 11 -7.571 -3.696 -4.076
86 HA3 GLY 11 3HA GLY 11 -7.066 -2.247 -4.959
87 H TYR 12 H TYR 12 -6.150 -3.150 -1.637
88 HA TYR 12 HA TYR 12 -3.275 -3.426 -2.416
89 HB2 TYR 12 2HB TYR 12 -3.720 -1.737 -0.702
90 HB3 TYR 12 3HB TYR 12 -4.600 -2.907 0.268
91 HD1 TYR 12 HD1 TYR 12 -3.414 -4.744 1.450
92 HD2 TYR 12 HD2 TYR 12 -1.267 -1.681 -0.707
93 HE1 TYR 12 HE1 TYR 12 -1.329 -5.365 2.635
94 HE2 TYR 12 HE2 TYR 12 0.810 -2.280 0.502
95 HH TYR 12 HH TYR 12 1.758 -3.632 2.128
96 H GLN 13 H GLN 13 -2.155 -5.293 -1.739
97 HA GLN 13 HA GLN 13 -3.943 -7.678 -1.612
98 HB2 GLN 13 2HB GLN 13 -2.127 -8.723 -3.066
99 HB3 GLN 13 3HB GLN 13 -3.207 -7.538 -3.779
100 HG2 GLN 13 2HG GLN 13 -1.456 -5.775 -3.580
101 HG3 GLN 13 3HG GLN 13 -0.366 -6.964 -2.882
102 HE21 GLN 13 1HE2 GLN 13 1.138 -6.654 -4.394
103 HE22 GLN 13 2HE2 GLN 13 0.972 -7.525 -5.923
104 H GLU 14 H GLU 14 -3.353 -9.580 -0.655
105 HA GLU 14 HA GLU 14 -1.832 -9.295 1.755
106 HB2 GLU 14 2HB GLU 14 -2.505 -11.435 2.339
107 HB3 GLU 14 3HB GLU 14 -3.850 -10.773 1.415
108 HG2 GLU 14 2HG GLU 14 -3.029 -12.093 -0.575
109 HG3 GLU 14 3HG GLU 14 -1.790 -12.811 0.453
110 H SER 15 H SER 15 -0.648 -9.863 -1.352
111 HA SER 15 HA SER 15 1.961 -10.723 -0.277
112 HB2 SER 15 2HB SER 15 2.258 -12.195 -2.344
113 HB3 SER 15 3HB SER 15 1.279 -12.810 -1.040
114 HG SER 15 HG SER 15 0.340 -13.122 -3.105
115 HA PRO 16 HA PRO 16 3.398 -7.479 -2.596
116 HB2 PRO 16 2HB PRO 16 6.047 -7.966 -2.832
117 HB3 PRO 16 3HB PRO 16 5.237 -7.833 -1.246
118 HG2 PRO 16 2HG PRO 16 5.973 -10.343 -2.772
119 HG3 PRO 16 3HG PRO 16 6.260 -9.958 -1.038
120 HD2 PRO 16 2HD PRO 16 4.102 -11.434 -1.946
121 HD3 PRO 16 3HD PRO 16 4.047 -10.448 -0.480
122 H ASN 17 H ASN 17 4.313 -6.535 -4.528
123 HA ASN 17 HA ASN 17 3.914 -8.261 -6.916
124 HB2 ASN 17 2HB ASN 17 2.439 -6.246 -6.604
125 HB3 ASN 17 3HB ASN 17 3.837 -5.229 -6.811
126 HD21 ASN 17 1HD2 ASN 17 1.921 -4.723 -8.594
127 HD22 ASN 17 2HD2 ASN 17 2.320 -5.442 -10.146
128 H GLY 18 H GLY 18 5.973 -9.189 -7.188
129 HA2 GLY 18 2HA GLY 18 8.024 -9.337 -8.229
130 HA3 GLY 18 3HA GLY 18 7.493 -7.913 -9.123
131 H ALA 19 H ALA 19 8.736 -6.159 -8.966
132 HA ALA 19 HA ALA 19 10.541 -5.792 -6.611
133 HB1 ALA 19 1HB ALA 19 11.057 -4.962 -9.487
134 HB2 ALA 19 2HB ALA 19 12.168 -4.810 -8.106
135 HB3 ALA 19 3HB ALA 19 11.720 -6.414 -8.708
136 H LYS 20 H LYS 20 7.665 -4.735 -7.284
137 HA LYS 20 HA LYS 20 8.135 -1.804 -7.194
138 HB2 LYS 20 2HB LYS 20 5.587 -3.464 -7.328
139 HB3 LYS 20 3HB LYS 20 5.657 -1.709 -7.327
140 HG2 LYS 20 2HG LYS 20 5.965 -1.623 -9.519
141 HG3 LYS 20 3HG LYS 20 7.435 -2.586 -9.412
142 HD2 LYS 20 2HD LYS 20 6.076 -4.670 -9.527
143 HD3 LYS 20 3HD LYS 20 4.600 -3.684 -9.634
144 HE2 LYS 20 2HE LYS 20 5.477 -2.620 -11.714
145 HE3 LYS 20 3HE LYS 20 6.937 -3.617 -11.599
146 HZ1 LYS 20 1HZ LYS 20 4.175 -4.645 -11.997
147 HZ2 LYS 20 2HZ LYS 20 5.342 -4.557 -13.138
148 HZ3 LYS 20 3HZ LYS 20 5.514 -5.592 -11.864
149 H ARG 21 H ARG 21 6.822 -0.548 -5.623
150 HA ARG 21 HA ARG 21 6.299 -1.672 -2.949
151 HB2 ARG 21 2HB ARG 21 8.556 -1.399 -2.570
152 HB3 ARG 21 3HB ARG 21 8.729 -0.037 -3.662
153 HG2 ARG 21 2HG ARG 21 8.012 1.531 -2.095
154 HG3 ARG 21 3HG ARG 21 7.295 0.334 -1.015
155 HD2 ARG 21 2HD ARG 21 9.451 -0.575 -0.433
156 HD3 ARG 21 3HD ARG 21 10.260 0.504 -1.580
157 HE ARG 21 HE ARG 21 9.216 2.393 -0.163
158 HH11 ARG 21 1HH1 ARG 21 10.271 -0.594 1.437
159 HH12 ARG 21 2HH1 ARG 21 11.186 0.350 2.606
160 HH21 ARG 21 1HH2 ARG 21 10.214 3.408 1.583
161 HH22 ARG 21 2HH2 ARG 21 11.105 2.404 2.714
162 H CYS 22 H CYS 22 5.218 -0.181 -1.558
163 HA CYS 22 HA CYS 22 3.611 1.988 -2.542
164 HB2 CYS 22 2HB CYS 22 4.680 1.259 0.218
165 HB3 CYS 22 3HB CYS 22 3.511 2.547 -0.090
166 H GLY 23 H GLY 23 5.696 2.985 -0.003
167 HA2 GLY 23 2HA GLY 23 7.356 4.520 0.277
168 HA3 GLY 23 3HA GLY 23 8.022 3.838 -1.197
169 H THR 24 H THR 24 7.453 4.796 -3.206
170 HA THR 24 HA THR 24 6.970 7.738 -3.059
171 HB THR 24 HB THR 24 8.614 7.969 -4.907
172 HG1 THR 24 HG1 THR 24 9.983 6.359 -5.315
173 HG21 THR 24 1HG2 THR 24 9.672 6.700 -2.334
174 HG22 THR 24 2HG2 THR 24 10.609 7.675 -3.471
175 HG23 THR 24 3HG2 THR 24 9.272 8.414 -2.579
176 H CYS 25 H CYS 25 4.925 5.753 -3.505
177 HA CYS 25 HA CYS 25 4.100 5.838 -6.268
178 HB2 CYS 25 2HB CYS 25 1.997 4.894 -5.355
179 HB3 CYS 25 3HB CYS 25 3.399 4.053 -4.709
180 H ARG 26 H ARG 26 2.090 7.034 -3.774
181 HA ARG 26 HA ARG 26 2.492 9.873 -4.240
182 HB2 ARG 26 2HB ARG 26 0.800 9.008 -6.057
183 HB3 ARG 26 3HB ARG 26 -0.356 8.916 -4.725
184 HG2 ARG 26 2HG ARG 26 -0.027 11.349 -4.303
185 HG3 ARG 26 3HG ARG 26 1.185 11.405 -5.596
186 HD2 ARG 26 2HD ARG 26 -0.542 10.724 -7.236
187 HD3 ARG 26 3HD ARG 26 -1.759 10.672 -5.953
188 HE ARG 26 HE ARG 26 -0.600 13.038 -7.251
189 HH11 ARG 26 1HH1 ARG 26 -2.653 12.006 -4.544
190 HH12 ARG 26 2HH1 ARG 26 -2.901 13.658 -4.045
191 HH21 ARG 26 1HH2 ARG 26 -1.078 15.065 -6.573
192 HH22 ARG 26 2HH2 ARG 26 -2.036 15.327 -5.125
193 H GLN 27 H GLN 27 1.375 7.258 -2.284
194 HA GLN 27 HA GLN 27 -0.008 9.105 -0.376
195 HB2 GLN 27 2HB GLN 27 -0.690 6.227 -1.050
196 HB3 GLN 27 3HB GLN 27 -1.568 7.290 0.039
197 HG2 GLN 27 2HG GLN 27 -1.904 8.861 -1.977
198 HG3 GLN 27 3HG GLN 27 -1.380 7.497 -2.976
199 HE21 GLN 27 1HE2 GLN 27 -2.752 5.432 -2.775
200 HE22 GLN 27 2HE2 GLN 27 -4.462 5.689 -2.517
201 H PHE 28 H PHE 28 2.658 6.893 -0.398
202 HA PHE 28 HA PHE 28 2.150 5.602 2.101
203 HB2 PHE 28 2HB PHE 28 3.683 4.794 0.292
204 HB3 PHE 28 3HB PHE 28 4.803 6.069 0.731
205 HD1 PHE 28 HD1 PHE 28 2.916 3.206 2.312
206 HD2 PHE 28 HD2 PHE 28 6.517 5.592 2.286
207 HE1 PHE 28 HE1 PHE 28 3.904 1.749 4.062
208 HE2 PHE 28 HE2 PHE 28 7.507 4.106 4.010
209 HZ PHE 28 HZ PHE 28 6.198 2.200 4.917
210 H ARG 29 H ARG 29 2.852 5.917 4.165
211 HA ARG 29 HA ARG 29 4.518 8.286 4.858
212 HB2 ARG 29 2HB ARG 29 2.088 8.909 4.964
213 HB3 ARG 29 3HB ARG 29 1.854 7.640 6.155
214 HG2 ARG 29 2HG ARG 29 2.129 9.495 7.513
215 HG3 ARG 29 3HG ARG 29 3.755 8.846 7.493
216 HD2 ARG 29 2HD ARG 29 4.195 11.105 7.092
217 HD3 ARG 29 3HD ARG 29 4.127 10.497 5.450
218 HE ARG 29 HE ARG 29 2.311 11.883 5.076
219 HH11 ARG 29 1HH1 ARG 29 2.665 11.610 8.539
220 HH12 ARG 29 2HH1 ARG 29 1.218 12.548 8.870
221 HH21 ARG 29 1HH2 ARG 29 0.514 13.196 5.551
222 HH22 ARG 29 2HH2 ARG 29 0.082 13.434 7.215
223 HA PRO 30 HA PRO 30 6.319 4.774 7.049
224 HB2 PRO 30 2HB PRO 30 8.098 6.996 8.072
225 HB3 PRO 30 3HB PRO 30 8.554 5.352 7.530
226 HG2 PRO 30 2HG PRO 30 8.879 7.479 5.882
227 HG3 PRO 30 3HG PRO 30 8.228 5.939 5.239
228 HD2 PRO 30 2HD PRO 30 6.718 8.443 5.991
229 HD3 PRO 30 3HD PRO 30 6.496 7.353 4.593
230 HA PRO 31 HA PRO 31 7.389 3.589 8.705
231 HB2 PRO 31 2HB PRO 31 6.809 1.771 10.632
232 HB3 PRO 31 3HB PRO 31 7.872 3.181 10.922
233 HG2 PRO 31 2HG PRO 31 4.900 2.961 11.543
234 HG3 PRO 31 3HG PRO 31 6.226 3.442 12.654
235 HD2 PRO 31 2HD PRO 31 4.768 5.315 11.347
236 HD3 PRO 31 3HD PRO 31 6.533 5.495 11.545
237 H SER 32 H SER 32 3.859 3.454 9.395
238 HA SER 32 HA SER 32 3.572 1.222 7.452
239 HB2 SER 32 2HB SER 32 2.320 -0.108 9.098
240 HB3 SER 32 3HB SER 32 3.990 0.172 9.593
241 HG SER 32 HG SER 32 1.630 1.434 10.589
242 H SER 33 H SER 33 2.725 3.974 7.143
243 HA SER 33 HA SER 33 -0.228 3.563 7.113
244 HB2 SER 33 2HB SER 33 1.363 6.085 7.623
245 HB3 SER 33 3HB SER 33 -0.374 6.055 7.270
246 HG SER 33 HG SER 33 1.047 4.913 9.438
247 H CYS 34 H CYS 34 -1.452 4.281 5.495
248 HA CYS 34 HA CYS 34 -0.181 5.572 3.126
249 HB2 CYS 34 2HB CYS 34 -0.569 3.280 2.470
250 HB3 CYS 34 3HB CYS 34 -2.210 3.306 3.124
251 H ILE 35 H ILE 35 -1.591 6.973 1.998
252 HA ILE 35 HA ILE 35 -3.526 8.357 3.749
253 HB ILE 35 HB ILE 35 -1.794 9.118 1.489
254 HG12 ILE 35 2HG1 ILE 35 -1.667 11.229 2.737
255 HG13 ILE 35 3HG1 ILE 35 -2.953 10.700 3.819
256 HG21 ILE 35 1HG2 ILE 35 -3.015 11.077 0.795
257 HG22 ILE 35 2HG2 ILE 35 -3.929 9.632 0.383
258 HG23 ILE 35 3HG2 ILE 35 -4.410 10.620 1.785
259 HD11 ILE 35 1HD1 ILE 35 -1.480 8.947 4.746
260 HD12 ILE 35 2HD1 ILE 35 -0.206 9.397 3.586
261 HD13 ILE 35 3HD1 ILE 35 -0.713 10.537 4.843
262 H THR 36 H THR 36 -3.839 5.837 1.544
263 HA THR 36 HA THR 36 -6.812 6.370 1.586
264 HB THR 36 HB THR 36 -5.259 4.655 -0.352
265 HG1 THR 36 HG1 THR 36 -5.428 6.842 -0.881
266 HG21 THR 36 1HG2 THR 36 -8.278 4.932 0.033
267 HG22 THR 36 2HG2 THR 36 -7.490 4.199 -1.380
268 HG23 THR 36 3HG2 THR 36 -7.330 3.437 0.203
269 H VAL 37 H VAL 37 -4.328 3.887 2.364
270 HA VAL 37 HA VAL 37 -6.500 2.057 3.030
271 HB VAL 37 HB VAL 37 -3.590 1.276 3.158
272 HG11 VAL 37 1HG1 VAL 37 -6.173 -0.121 2.309
273 HG12 VAL 37 2HG1 VAL 37 -4.553 -0.829 2.139
274 HG13 VAL 37 3HG1 VAL 37 -5.169 -0.466 3.740
275 HG21 VAL 37 1HG2 VAL 37 -3.765 0.717 0.694
276 HG22 VAL 37 2HG2 VAL 37 -5.206 1.759 0.635
277 HG23 VAL 37 3HG2 VAL 37 -3.625 2.427 1.054
278 H GLU 38 H GLU 38 -6.750 0.795 4.798
279 HA GLU 38 HA GLU 38 -6.521 1.665 7.402
280 HB2 GLU 38 2HB GLU 38 -7.210 -0.834 5.963
281 HB3 GLU 38 3HB GLU 38 -6.653 -1.145 7.587
282 HG2 GLU 38 2HG GLU 38 -8.836 0.869 6.978
283 HG3 GLU 38 3HG GLU 38 -9.149 -0.844 7.257
284 H SER 39 H SER 39 -5.654 0.511 9.263
285 HA SER 39 HA SER 39 -2.718 0.465 9.082
286 HB2 SER 39 2HB SER 39 -3.783 1.933 10.687
287 HB3 SER 39 3HB SER 39 -4.524 0.535 11.479
288 HG SER 39 HG SER 39 -2.692 0.018 12.378
289 HA PRO 40 HA PRO 40 -0.871 -0.263 9.568
290 HB2 PRO 40 2HB PRO 40 1.151 -2.038 9.667
291 HB3 PRO 40 3HB PRO 40 0.393 -1.384 11.151
292 HG2 PRO 40 2HG PRO 40 -0.102 -4.051 9.811
293 HG3 PRO 40 3HG PRO 40 0.136 -3.707 11.549
294 HD2 PRO 40 2HD PRO 40 -2.349 -3.993 10.348
295 HD3 PRO 40 3HD PRO 40 -2.069 -3.013 11.809
296 H ILE 41 H ILE 41 0.442 -0.136 7.624
297 HA ILE 41 HA ILE 41 -0.145 -2.166 5.528
298 HB ILE 41 HB ILE 41 -1.028 0.353 5.349
299 HG12 ILE 41 2HG1 ILE 41 -0.935 0.179 2.861
300 HG13 ILE 41 3HG1 ILE 41 0.106 -1.238 3.023
301 HG21 ILE 41 1HG2 ILE 41 1.653 0.603 3.931
302 HG22 ILE 41 2HG2 ILE 41 0.356 1.801 4.024
303 HG23 ILE 41 3HG2 ILE 41 1.256 1.376 5.481
304 HD11 ILE 41 1HD1 ILE 41 -2.364 -1.697 2.658
305 HD12 ILE 41 2HD1 ILE 41 -1.694 -2.489 4.087
306 HD13 ILE 41 3HD1 ILE 41 -2.679 -1.013 4.260
307 H SER 42 H SER 42 1.484 -3.217 4.606
308 HA SER 42 HA SER 42 4.265 -2.499 5.382
309 HB2 SER 42 2HB SER 42 3.339 -5.016 4.039
310 HB3 SER 42 3HB SER 42 4.905 -4.699 4.803
311 HG SER 42 HG SER 42 2.341 -4.907 5.992
312 H GLU 43 H GLU 43 5.660 -1.655 4.021
313 HA GLU 43 HA GLU 43 4.881 -0.426 1.691
314 HB2 GLU 43 2HB GLU 43 7.442 -0.080 1.471
315 HB3 GLU 43 3HB GLU 43 6.615 0.488 2.907
316 HG2 GLU 43 2HG GLU 43 8.657 -0.494 3.617
317 HG3 GLU 43 3HG GLU 43 7.411 -1.484 4.215
318 H ASN 44 H ASN 44 6.244 -3.662 1.825
319 HA ASN 44 HA ASN 44 6.989 -3.765 -0.970
320 HB2 ASN 44 2HB ASN 44 7.382 -6.176 -0.430
321 HB3 ASN 44 3HB ASN 44 8.102 -5.102 0.768
322 HD21 ASN 44 1HD2 ASN 44 7.401 -5.073 2.826
323 HD22 ASN 44 2HD2 ASN 44 6.390 -6.416 3.371
324 H GLY 45 H GLY 45 3.903 -4.090 0.571
325 HA2 GLY 45 2HA GLY 45 2.744 -6.232 -0.850
326 HA3 GLY 45 3HA GLY 45 1.863 -4.914 -0.086
327 H TRP 46 H TRP 46 2.708 -2.769 -1.667
328 HA TRP 46 HA TRP 46 2.156 -1.558 -3.480
329 HB2 TRP 46 2HB TRP 46 3.590 -3.086 -4.721
330 HB3 TRP 46 3HB TRP 46 2.260 -4.188 -4.976
331 HD1 TRP 46 HD1 TRP 46 3.688 -0.965 -6.332
332 HE1 TRP 46 HE1 TRP 46 2.700 -0.581 -8.679
333 HE3 TRP 46 HE3 TRP 46 -0.042 -4.480 -6.235
334 HZ2 TRP 46 HZ2 TRP 46 0.534 -1.604 -10.262
335 HZ3 TRP 46 HZ3 TRP 46 -1.559 -4.740 -8.173
336 HH2 TRP 46 HH2 TRP 46 -1.295 -3.299 -10.181
337 H CYS 47 H CYS 47 0.410 -0.902 -4.887
338 HA CYS 47 HA CYS 47 -2.105 -2.363 -4.737
339 HB2 CYS 47 2HB CYS 47 -3.424 -0.767 -3.694
340 HB3 CYS 47 3HB CYS 47 -1.948 -0.662 -2.745
341 H ARG 48 H ARG 48 -3.714 -1.481 -6.223
342 HA ARG 48 HA ARG 48 -2.560 -1.089 -8.800
343 HB2 ARG 48 2HB ARG 48 -5.490 -0.931 -7.982
344 HB3 ARG 48 3HB ARG 48 -4.866 -1.187 -9.616
345 HG2 ARG 48 2HG ARG 48 -3.823 -3.327 -8.885
346 HG3 ARG 48 3HG ARG 48 -4.561 -3.114 -7.286
347 HD2 ARG 48 2HD ARG 48 -6.811 -2.992 -8.371
348 HD3 ARG 48 3HD ARG 48 -6.054 -3.297 -9.932
349 HE ARG 48 HE ARG 48 -5.386 -5.508 -9.169
350 HH11 ARG 48 1HH1 ARG 48 -7.913 -4.084 -7.073
351 HH12 ARG 48 2HH1 ARG 48 -8.257 -5.704 -6.458
352 HH21 ARG 48 1HH2 ARG 48 -6.055 -7.374 -8.376
353 HH22 ARG 48 2HH2 ARG 48 -7.365 -7.409 -7.180
354 H LEU 49 H LEU 49 -2.417 1.372 -6.889
355 HA LEU 49 HA LEU 49 -3.950 3.487 -7.986
356 HB2 LEU 49 2HB LEU 49 -2.658 3.493 -5.803
357 HB3 LEU 49 3HB LEU 49 -1.175 3.635 -6.743
358 HG LEU 49 HG LEU 49 -2.164 5.805 -7.723
359 HD11 LEU 49 1HD1 LEU 49 -4.060 5.472 -5.359
360 HD12 LEU 49 2HD1 LEU 49 -3.891 6.928 -6.357
361 HD13 LEU 49 3HD1 LEU 49 -4.534 5.442 -7.066
362 HD21 LEU 49 1HD2 LEU 49 -0.396 5.830 -6.044
363 HD22 LEU 49 2HD2 LEU 49 -1.548 7.153 -5.789
364 HD23 LEU 49 3HD2 LEU 49 -1.610 5.712 -4.754
365 H TYR 50 H TYR 50 -3.723 4.855 -9.683
366 HA TYR 50 HA TYR 50 -1.214 4.824 -11.275
367 HB2 TYR 50 2HB TYR 50 -3.400 3.481 -12.137
368 HB3 TYR 50 3HB TYR 50 -3.794 5.069 -12.772
369 HD1 TYR 50 HD1 TYR 50 -1.147 2.451 -12.585
370 HD2 TYR 50 HD2 TYR 50 -2.658 5.820 -14.797
371 HE1 TYR 50 HE1 TYR 50 0.473 1.978 -14.407
372 HE2 TYR 50 HE2 TYR 50 -1.025 5.359 -16.622
373 HH TYR 50 HH TYR 50 1.271 2.621 -16.421
374 H ALA 51 H ALA 51 -2.504 6.697 -9.255
375 HA ALA 51 HA ALA 51 -3.110 9.147 -10.597
376 HB1 ALA 51 1HB ALA 51 -2.867 10.129 -8.359
377 HB2 ALA 51 2HB ALA 51 -3.797 8.622 -8.281
378 HB3 ALA 51 3HB ALA 51 -2.091 8.642 -7.770
379 H GLY 52 H GLY 52 -1.880 10.914 -11.083
380 HA2 GLY 52 2HA GLY 52 0.762 10.392 -11.975
381 HA3 GLY 52 3HA GLY 52 -0.066 11.941 -12.058
382 H LYS 53 H LYS 53 2.704 11.485 -11.538
383 HA LYS 53 HA LYS 53 3.279 12.015 -8.722
384 HB2 LYS 53 2HB LYS 53 4.863 11.710 -11.250
385 HB3 LYS 53 3HB LYS 53 5.606 12.588 -9.925
386 HG2 LYS 53 2HG LYS 53 6.265 10.265 -9.910
387 HG3 LYS 53 3HG LYS 53 5.477 10.765 -8.420
388 HD2 LYS 53 2HD LYS 53 3.453 9.552 -8.969
389 HD3 LYS 53 3HD LYS 53 4.063 9.184 -10.597
390 HE2 LYS 53 2HE LYS 53 5.990 7.963 -9.580
391 HE3 LYS 53 3HE LYS 53 5.339 8.292 -7.964
392 HZ1 LYS 53 1HZ LYS 53 4.706 6.084 -8.781
393 HZ2 LYS 53 2HZ LYS 53 3.361 7.031 -8.572
394 HZ3 LYS 53 3HZ LYS 53 3.939 6.745 -10.072
395 H ALA 54 H ALA 54 1.571 13.697 -8.927
396 HA ALA 54 HA ALA 54 2.838 16.291 -8.462
397 HB1 ALA 54 1HB ALA 54 0.683 15.996 -10.610
398 HB2 ALA 54 2HB ALA 54 1.257 17.537 -9.941
399 HB3 ALA 54 3HB ALA 54 2.366 16.508 -10.864
Start of MODEL 3
1 H1 VAL 1 1H VAL 1 -13.136 15.731 5.240
2 H2 VAL 1 2H VAL 1 -12.138 16.292 6.402
3 H3 VAL 1 3H VAL 1 -12.958 14.877 6.638
4 HA VAL 1 HA VAL 1 -10.876 15.340 4.607
5 HB VAL 1 HB VAL 1 -9.519 13.683 5.795
6 HG11 VAL 1 1HG1 VAL 1 -10.166 16.230 7.346
7 HG12 VAL 1 2HG1 VAL 1 -8.664 15.299 7.425
8 HG13 VAL 1 3HG1 VAL 1 -9.110 16.112 5.918
9 HG21 VAL 1 1HG2 VAL 1 -11.284 12.668 7.278
10 HG22 VAL 1 2HG2 VAL 1 -9.845 13.219 8.140
11 HG23 VAL 1 3HG2 VAL 1 -11.319 14.191 8.204
12 H THR 2 H THR 2 -10.502 13.841 3.101
13 HA THR 2 HA THR 2 -12.681 12.404 2.056
14 HB THR 2 HB THR 2 -9.696 12.270 1.516
15 HG1 THR 2 HG1 THR 2 -11.120 13.252 -0.449
16 HG21 THR 2 1HG2 THR 2 -11.909 11.141 -0.241
17 HG22 THR 2 2HG2 THR 2 -10.203 11.338 -0.692
18 HG23 THR 2 3HG2 THR 2 -10.636 10.194 0.570
19 H LYS 3 H LYS 3 -13.468 10.345 2.208
20 HA LYS 3 HA LYS 3 -12.528 8.582 4.286
21 HB2 LYS 3 2HB LYS 3 -14.898 8.825 3.511
22 HB3 LYS 3 3HB LYS 3 -14.463 7.969 2.021
23 HG2 LYS 3 2HG LYS 3 -13.739 6.012 3.440
24 HG3 LYS 3 3HG LYS 3 -14.293 6.889 4.872
25 HD2 LYS 3 2HD LYS 3 -16.594 6.887 3.996
26 HD3 LYS 3 3HD LYS 3 -16.042 6.091 2.504
27 HE2 LYS 3 2HE LYS 3 -15.239 4.143 3.799
28 HE3 LYS 3 3HE LYS 3 -15.697 4.948 5.305
29 HZ1 LYS 3 1HZ LYS 3 -17.549 3.920 3.228
30 HZ2 LYS 3 2HZ LYS 3 -17.395 3.446 4.783
31 HZ3 LYS 3 3HZ LYS 3 -18.028 4.930 4.442
32 H LYS 4 H LYS 4 -11.262 6.861 4.276
33 HA LYS 4 HA LYS 4 -9.553 6.165 2.013
34 HB2 LYS 4 2HB LYS 4 -9.798 4.926 4.797
35 HB3 LYS 4 3HB LYS 4 -8.488 4.659 3.634
36 HG2 LYS 4 2HG LYS 4 -8.068 7.151 3.665
37 HG3 LYS 4 3HG LYS 4 -9.224 7.288 4.982
38 HD2 LYS 4 2HD LYS 4 -7.096 7.270 6.018
39 HD3 LYS 4 3HD LYS 4 -7.827 5.688 6.339
40 HE2 LYS 4 2HE LYS 4 -6.523 4.727 4.441
41 HE3 LYS 4 3HE LYS 4 -5.784 6.304 4.146
42 HZ1 LYS 4 1HZ LYS 4 -4.688 6.168 6.274
43 HZ2 LYS 4 2HZ LYS 4 -5.526 4.813 6.706
44 HZ3 LYS 4 3HZ LYS 4 -4.421 4.799 5.457
45 H ALA 5 H ALA 5 -9.088 3.801 1.664
46 HA ALA 5 HA ALA 5 -11.644 2.342 1.098
47 HB1 ALA 5 1HB ALA 5 -8.938 2.145 -0.248
48 HB2 ALA 5 2HB ALA 5 -10.329 1.122 -0.603
49 HB3 ALA 5 3HB ALA 5 -10.438 2.860 -0.905
50 H SER 6 H SER 6 -11.848 0.143 1.489
51 HA SER 6 HA SER 6 -10.288 -1.044 3.648
52 HB2 SER 6 2HB SER 6 -11.581 -3.042 3.266
53 HB3 SER 6 3HB SER 6 -12.660 -1.644 3.257
54 HG SER 6 HG SER 6 -13.247 -2.825 1.497
55 H HIS 7 H HIS 7 -8.904 -2.854 3.455
56 HA HIS 7 HA HIS 7 -6.956 -2.894 1.399
57 HB2 HIS 7 2HB HIS 7 -7.929 -5.053 3.308
58 HB3 HIS 7 3HB HIS 7 -6.591 -5.309 2.214
59 HD2 HIS 7 HD2 HIS 7 -6.880 -1.886 4.065
60 HE1 HIS 7 HE1 HIS 7 -3.599 -4.001 5.759
61 HE2 HIS 7 HE2 HIS 7 -4.796 -1.751 5.628
62 H LYS 8 H LYS 8 -9.995 -4.696 1.522
63 HA LYS 8 HA LYS 8 -9.770 -6.252 -0.867
64 HB2 LYS 8 2HB LYS 8 -12.244 -5.014 0.414
65 HB3 LYS 8 3HB LYS 8 -12.259 -6.303 -0.777
66 HG2 LYS 8 2HG LYS 8 -10.934 -6.568 1.957
67 HG3 LYS 8 3HG LYS 8 -12.627 -6.915 1.621
68 HD2 LYS 8 2HD LYS 8 -12.018 -8.684 0.030
69 HD3 LYS 8 3HD LYS 8 -10.309 -8.267 0.172
70 HE2 LYS 8 2HE LYS 8 -10.696 -10.239 1.482
71 HE3 LYS 8 3HE LYS 8 -10.356 -8.901 2.584
72 HZ1 LYS 8 1HZ LYS 8 -13.079 -9.896 1.925
73 HZ2 LYS 8 2HZ LYS 8 -12.244 -10.260 3.307
74 HZ3 LYS 8 3HZ LYS 8 -12.740 -8.733 3.023
75 H ASP 9 H ASP 9 -11.431 -3.141 -0.413
76 HA ASP 9 HA ASP 9 -12.182 -2.815 -3.122
77 HB2 ASP 9 2HB ASP 9 -12.901 -1.596 -0.903
78 HB3 ASP 9 3HB ASP 9 -11.645 -0.468 -1.323
79 H ALA 10 H ALA 10 -9.272 -1.801 -1.483
80 HA ALA 10 HA ALA 10 -8.140 -0.409 -3.811
81 HB1 ALA 10 1HB ALA 10 -6.878 -1.205 -1.179
82 HB2 ALA 10 2HB ALA 10 -6.272 0.016 -2.327
83 HB3 ALA 10 3HB ALA 10 -7.787 0.303 -1.455
84 H GLY 11 H GLY 11 -8.404 -3.716 -3.159
85 HA2 GLY 11 2HA GLY 11 -7.592 -5.503 -4.350
86 HA3 GLY 11 3HA GLY 11 -6.590 -4.413 -5.315
87 H TYR 12 H TYR 12 -6.224 -4.406 -1.823
88 HA TYR 12 HA TYR 12 -3.409 -4.717 -1.947
89 HB2 TYR 12 2HB TYR 12 -4.833 -3.529 -0.230
90 HB3 TYR 12 3HB TYR 12 -5.260 -5.103 0.419
91 HD1 TYR 12 HD1 TYR 12 -2.503 -2.661 -0.072
92 HD2 TYR 12 HD2 TYR 12 -3.776 -6.261 1.923
93 HE1 TYR 12 HE1 TYR 12 -0.604 -2.456 1.500
94 HE2 TYR 12 HE2 TYR 12 -1.824 -6.077 3.478
95 HH TYR 12 HH TYR 12 -0.099 -4.825 4.168
96 H GLN 13 H GLN 13 -2.000 -6.408 -1.227
97 HA GLN 13 HA GLN 13 -3.174 -9.151 -1.401
98 HB2 GLN 13 2HB GLN 13 -1.271 -9.600 -3.112
99 HB3 GLN 13 3HB GLN 13 -2.785 -8.884 -3.586
100 HG2 GLN 13 2HG GLN 13 -1.654 -6.592 -3.544
101 HG3 GLN 13 3HG GLN 13 -0.122 -7.450 -3.341
102 HE21 GLN 13 1HE2 GLN 13 0.891 -8.311 -5.057
103 HE22 GLN 13 2HE2 GLN 13 0.190 -8.086 -6.662
104 H GLU 14 H GLU 14 -1.751 -10.934 -1.105
105 HA GLU 14 HA GLU 14 -0.326 -10.713 1.369
106 HB2 GLU 14 2HB GLU 14 0.122 -13.083 1.110
107 HB3 GLU 14 3HB GLU 14 -1.558 -12.709 0.725
108 HG2 GLU 14 2HG GLU 14 -0.941 -12.812 -1.715
109 HG3 GLU 14 3HG GLU 14 0.689 -13.304 -1.251
110 H SER 15 H SER 15 0.826 -10.177 -1.836
111 HA SER 15 HA SER 15 3.360 -9.339 -0.787
112 HB2 SER 15 2HB SER 15 4.596 -10.754 -2.624
113 HB3 SER 15 3HB SER 15 4.249 -11.383 -1.013
114 HG SER 15 HG SER 15 3.679 -12.945 -2.390
115 HA PRO 16 HA PRO 16 2.893 -6.525 -4.134
116 HB2 PRO 16 2HB PRO 16 5.421 -5.576 -4.525
117 HB3 PRO 16 3HB PRO 16 4.503 -5.278 -3.017
118 HG2 PRO 16 2HG PRO 16 6.652 -7.334 -3.562
119 HG3 PRO 16 3HG PRO 16 6.455 -6.285 -2.125
120 HD2 PRO 16 2HD PRO 16 5.616 -8.915 -2.313
121 HD3 PRO 16 3HD PRO 16 4.865 -7.750 -1.199
122 H ASN 17 H ASN 17 3.306 -6.158 -6.498
123 HA ASN 17 HA ASN 17 3.920 -8.730 -7.776
124 HB2 ASN 17 2HB ASN 17 2.864 -7.645 -9.793
125 HB3 ASN 17 3HB ASN 17 1.899 -8.148 -8.421
126 HD21 ASN 17 1HD2 ASN 17 0.152 -6.799 -8.541
127 HD22 ASN 17 2HD2 ASN 17 0.333 -5.057 -8.344
128 H GLY 18 H GLY 18 6.190 -8.273 -7.058
129 HA2 GLY 18 2HA GLY 18 8.352 -8.326 -7.852
130 HA3 GLY 18 3HA GLY 18 7.729 -7.977 -9.458
131 H ALA 19 H ALA 19 8.089 -6.020 -10.319
132 HA ALA 19 HA ALA 19 9.951 -4.232 -9.068
133 HB1 ALA 19 1HB ALA 19 8.366 -3.994 -11.659
134 HB2 ALA 19 2HB ALA 19 9.793 -3.035 -11.219
135 HB3 ALA 19 3HB ALA 19 9.948 -4.786 -11.457
136 H LYS 20 H LYS 20 6.581 -4.281 -8.631
137 HA LYS 20 HA LYS 20 6.525 -1.381 -7.888
138 HB2 LYS 20 2HB LYS 20 4.084 -3.016 -8.606
139 HB3 LYS 20 3HB LYS 20 4.246 -1.285 -8.444
140 HG2 LYS 20 2HG LYS 20 4.182 -1.396 -10.677
141 HG3 LYS 20 3HG LYS 20 5.923 -1.563 -10.517
142 HD2 LYS 20 2HD LYS 20 5.718 -4.000 -10.925
143 HD3 LYS 20 3HD LYS 20 3.957 -3.892 -10.824
144 HE2 LYS 20 2HE LYS 20 4.121 -2.159 -12.750
145 HE3 LYS 20 3HE LYS 20 5.781 -2.724 -12.948
146 HZ1 LYS 20 1HZ LYS 20 4.801 -5.000 -13.267
147 HZ2 LYS 20 2HZ LYS 20 3.305 -4.335 -13.287
148 HZ3 LYS 20 3HZ LYS 20 4.363 -3.900 -14.437
149 H ARG 21 H ARG 21 6.114 -0.909 -5.822
150 HA ARG 21 HA ARG 21 4.546 -2.655 -4.052
151 HB2 ARG 21 2HB ARG 21 6.146 -3.203 -2.525
152 HB3 ARG 21 3HB ARG 21 7.154 -3.212 -3.957
153 HG2 ARG 21 2HG ARG 21 7.816 -0.781 -3.321
154 HG3 ARG 21 3HG ARG 21 6.982 -1.077 -1.795
155 HD2 ARG 21 2HD ARG 21 8.449 -3.166 -1.545
156 HD3 ARG 21 3HD ARG 21 9.437 -2.471 -2.829
157 HE ARG 21 HE ARG 21 9.029 -1.431 -0.069
158 HH11 ARG 21 1HH1 ARG 21 10.593 -0.726 -3.175
159 HH12 ARG 21 2HH1 ARG 21 11.740 0.351 -2.405
160 HH21 ARG 21 1HH2 ARG 21 10.575 -0.232 0.780
161 HH22 ARG 21 2HH2 ARG 21 11.625 0.757 -0.224
162 H CYS 22 H CYS 22 4.374 -1.415 -1.770
163 HA CYS 22 HA CYS 22 3.708 1.336 -1.964
164 HB2 CYS 22 2HB CYS 22 4.541 -0.297 0.468
165 HB3 CYS 22 3HB CYS 22 3.641 1.240 0.471
166 H GLY 23 H GLY 23 6.225 0.841 0.428
167 HA2 GLY 23 2HA GLY 23 8.130 2.089 0.855
168 HA3 GLY 23 3HA GLY 23 8.572 1.451 -0.722
169 H THR 24 H THR 24 9.088 2.945 -2.287
170 HA THR 24 HA THR 24 8.880 5.786 -1.718
171 HB THR 24 HB THR 24 9.720 4.873 -4.439
172 HG1 THR 24 HG1 THR 24 10.774 3.384 -3.348
173 HG21 THR 24 1HG2 THR 24 11.490 6.545 -4.071
174 HG22 THR 24 2HG2 THR 24 9.902 7.269 -3.780
175 HG23 THR 24 3HG2 THR 24 10.925 6.805 -2.404
176 H CYS 25 H CYS 25 6.377 4.017 -2.407
177 HA CYS 25 HA CYS 25 5.003 5.080 -4.601
178 HB2 CYS 25 2HB CYS 25 4.164 3.212 -3.279
179 HB3 CYS 25 3HB CYS 25 3.968 4.249 -1.853
180 H ARG 26 H ARG 26 3.560 6.674 -4.892
181 HA ARG 26 HA ARG 26 4.209 9.295 -4.220
182 HB2 ARG 26 2HB ARG 26 1.331 8.563 -4.768
183 HB3 ARG 26 3HB ARG 26 2.244 9.971 -5.282
184 HG2 ARG 26 2HG ARG 26 3.395 8.656 -7.008
185 HG3 ARG 26 3HG ARG 26 2.591 7.169 -6.433
186 HD2 ARG 26 2HD ARG 26 0.381 8.216 -6.815
187 HD3 ARG 26 3HD ARG 26 1.177 9.638 -7.506
188 HE ARG 26 HE ARG 26 2.120 7.424 -8.972
189 HH11 ARG 26 1HH1 ARG 26 -1.082 8.768 -8.313
190 HH12 ARG 26 2HH1 ARG 26 -1.698 8.262 -9.871
191 HH21 ARG 26 1HH2 ARG 26 1.261 7.006 -11.058
192 HH22 ARG 26 2HH2 ARG 26 -0.424 7.327 -11.337
193 H GLN 27 H GLN 27 2.061 7.168 -2.423
194 HA GLN 27 HA GLN 27 1.372 9.398 -0.554
195 HB2 GLN 27 2HB GLN 27 -0.834 8.474 -0.315
196 HB3 GLN 27 3HB GLN 27 -0.501 8.961 -1.960
197 HG2 GLN 27 2HG GLN 27 0.072 6.082 -1.424
198 HG3 GLN 27 3HG GLN 27 -1.601 6.534 -1.174
199 HE21 GLN 27 1HE2 GLN 27 0.744 5.782 -3.627
200 HE22 GLN 27 2HE2 GLN 27 -0.288 6.246 -4.958
201 H PHE 28 H PHE 28 3.345 6.924 -0.405
202 HA PHE 28 HA PHE 28 2.488 5.825 2.202
203 HB2 PHE 28 2HB PHE 28 3.783 4.437 0.594
204 HB3 PHE 28 3HB PHE 28 5.115 5.562 0.719
205 HD1 PHE 28 HD1 PHE 28 2.924 3.334 2.819
206 HD2 PHE 28 HD2 PHE 28 6.794 5.180 2.367
207 HE1 PHE 28 HE1 PHE 28 3.763 2.072 4.790
208 HE2 PHE 28 HE2 PHE 28 7.629 3.903 4.325
209 HZ PHE 28 HZ PHE 28 6.110 2.363 5.552
210 H ARG 29 H ARG 29 3.347 6.400 4.176
211 HA ARG 29 HA ARG 29 5.577 8.324 4.227
212 HB2 ARG 29 2HB ARG 29 3.253 9.481 4.537
213 HB3 ARG 29 3HB ARG 29 3.266 8.736 6.131
214 HG2 ARG 29 2HG ARG 29 4.113 10.976 6.350
215 HG3 ARG 29 3HG ARG 29 5.501 9.897 6.550
216 HD2 ARG 29 2HD ARG 29 6.143 10.308 4.189
217 HD3 ARG 29 3HD ARG 29 4.733 11.361 3.976
218 HE ARG 29 HE ARG 29 5.928 12.634 6.011
219 HH11 ARG 29 1HH1 ARG 29 7.451 11.441 3.051
220 HH12 ARG 29 2HH1 ARG 29 8.714 12.656 3.179
221 HH21 ARG 29 1HH2 ARG 29 7.488 13.992 6.109
222 HH22 ARG 29 2HH2 ARG 29 8.755 14.101 4.884
223 HA PRO 30 HA PRO 30 6.877 5.126 7.049
224 HB2 PRO 30 2HB PRO 30 9.003 7.118 7.796
225 HB3 PRO 30 3HB PRO 30 9.178 5.388 7.385
226 HG2 PRO 30 2HG PRO 30 9.820 7.310 5.576
227 HG3 PRO 30 3HG PRO 30 8.948 5.832 5.058
228 HD2 PRO 30 2HD PRO 30 7.809 8.579 5.634
229 HD3 PRO 30 3HD PRO 30 7.475 7.464 4.271
230 HA PRO 31 HA PRO 31 7.907 4.269 9.059
231 HB2 PRO 31 2HB PRO 31 6.977 2.890 11.202
232 HB3 PRO 31 3HB PRO 31 8.138 4.241 11.345
233 HG2 PRO 31 2HG PRO 31 5.127 4.338 11.727
234 HG3 PRO 31 3HG PRO 31 6.402 4.995 12.801
235 HD2 PRO 31 2HD PRO 31 5.086 6.542 10.959
236 HD3 PRO 31 3HD PRO 31 6.807 6.811 11.364
237 H SER 32 H SER 32 4.346 4.515 9.232
238 HA SER 32 HA SER 32 4.032 2.000 7.693
239 HB2 SER 32 2HB SER 32 2.698 0.986 9.585
240 HB3 SER 32 3HB SER 32 4.425 1.144 9.871
241 HG SER 32 HG SER 32 2.385 2.881 10.861
242 H SER 33 H SER 33 3.065 4.763 7.070
243 HA SER 33 HA SER 33 0.108 4.225 7.192
244 HB2 SER 33 2HB SER 33 1.583 6.843 7.536
245 HB3 SER 33 3HB SER 33 -0.168 6.699 7.280
246 HG SER 33 HG SER 33 0.994 6.625 9.580
247 H CYS 34 H CYS 34 -1.123 4.505 5.443
248 HA CYS 34 HA CYS 34 -0.021 5.717 2.948
249 HB2 CYS 34 2HB CYS 34 0.158 3.345 2.523
250 HB3 CYS 34 3HB CYS 34 -1.438 3.033 3.239
251 H ILE 35 H ILE 35 -1.541 6.891 1.760
252 HA ILE 35 HA ILE 35 -3.969 7.609 3.243
253 HB ILE 35 HB ILE 35 -2.278 9.142 1.797
254 HG12 ILE 35 2HG1 ILE 35 -4.100 10.882 1.712
255 HG13 ILE 35 3HG1 ILE 35 -5.241 9.655 2.266
256 HG21 ILE 35 1HG2 ILE 35 -4.645 8.884 -0.103
257 HG22 ILE 35 2HG2 ILE 35 -3.181 9.860 -0.290
258 HG23 ILE 35 3HG2 ILE 35 -3.089 8.095 -0.394
259 HD11 ILE 35 1HD1 ILE 35 -2.745 10.567 3.777
260 HD12 ILE 35 2HD1 ILE 35 -4.399 11.125 4.089
261 HD13 ILE 35 3HD1 ILE 35 -3.974 9.434 4.390
262 H THR 36 H THR 36 -3.253 5.445 0.603
263 HA THR 36 HA THR 36 -5.912 5.516 -0.582
264 HB THR 36 HB THR 36 -3.834 3.306 -0.811
265 HG1 THR 36 HG1 THR 36 -2.840 4.475 -2.154
266 HG21 THR 36 1HG2 THR 36 -4.926 2.893 -2.983
267 HG22 THR 36 2HG2 THR 36 -6.113 2.741 -1.692
268 HG23 THR 36 3HG2 THR 36 -6.068 4.214 -2.692
269 H VAL 37 H VAL 37 -4.190 3.288 1.610
270 HA VAL 37 HA VAL 37 -6.723 1.795 2.104
271 HB VAL 37 HB VAL 37 -5.215 -0.079 2.786
272 HG11 VAL 37 1HG1 VAL 37 -4.902 0.889 -0.074
273 HG12 VAL 37 2HG1 VAL 37 -4.751 -0.781 0.514
274 HG13 VAL 37 3HG1 VAL 37 -6.317 0.050 0.618
275 HG21 VAL 37 1HG2 VAL 37 -2.902 -0.111 1.987
276 HG22 VAL 37 2HG2 VAL 37 -3.007 1.572 1.475
277 HG23 VAL 37 3HG2 VAL 37 -3.112 1.159 3.205
278 H GLU 38 H GLU 38 -7.391 1.147 4.057
279 HA GLU 38 HA GLU 38 -6.744 2.468 6.457
280 HB2 GLU 38 2HB GLU 38 -7.909 -0.185 5.767
281 HB3 GLU 38 3HB GLU 38 -7.499 0.050 7.413
282 HG2 GLU 38 2HG GLU 38 -9.351 1.863 5.814
283 HG3 GLU 38 3HG GLU 38 -9.837 0.641 6.991
284 H SER 39 H SER 39 -5.553 2.088 8.126
285 HA SER 39 HA SER 39 -2.972 0.685 7.719
286 HB2 SER 39 2HB SER 39 -3.827 3.562 8.018
287 HB3 SER 39 3HB SER 39 -2.326 3.084 8.712
288 HG SER 39 HG SER 39 -3.102 2.570 6.007
289 HA PRO 40 HA PRO 40 -0.839 1.661 9.364
290 HB2 PRO 40 2HB PRO 40 0.798 -0.093 10.656
291 HB3 PRO 40 3HB PRO 40 0.155 1.393 11.410
292 HG2 PRO 40 2HG PRO 40 -0.931 -1.421 11.640
293 HG3 PRO 40 3HG PRO 40 -0.600 -0.249 12.952
294 HD2 PRO 40 2HD PRO 40 -3.097 -0.574 11.903
295 HD3 PRO 40 3HD PRO 40 -2.507 1.034 12.408
296 H ILE 41 H ILE 41 0.614 0.813 7.917
297 HA ILE 41 HA ILE 41 -0.213 -1.681 6.526
298 HB ILE 41 HB ILE 41 -0.927 0.706 5.654
299 HG12 ILE 41 2HG1 ILE 41 -0.807 -0.038 3.307
300 HG13 ILE 41 3HG1 ILE 41 0.205 -1.400 3.777
301 HG21 ILE 41 1HG2 ILE 41 1.832 0.556 4.387
302 HG22 ILE 41 2HG2 ILE 41 0.584 1.777 4.134
303 HG23 ILE 41 3HG2 ILE 41 1.377 1.663 5.709
304 HD11 ILE 41 1HD1 ILE 41 -1.614 -2.383 5.069
305 HD12 ILE 41 2HD1 ILE 41 -2.548 -0.875 4.984
306 HD13 ILE 41 3HD1 ILE 41 -2.324 -1.853 3.538
307 H SER 42 H SER 42 1.383 -2.617 5.068
308 HA SER 42 HA SER 42 4.123 -2.497 6.184
309 HB2 SER 42 2HB SER 42 2.906 -4.276 4.045
310 HB3 SER 42 3HB SER 42 4.557 -4.395 4.676
311 HG SER 42 HG SER 42 3.195 -5.852 5.658
312 H GLU 43 H GLU 43 5.896 -1.709 5.082
313 HA GLU 43 HA GLU 43 5.563 0.093 2.877
314 HB2 GLU 43 2HB GLU 43 7.946 0.330 2.937
315 HB3 GLU 43 3HB GLU 43 7.329 0.243 4.571
316 HG2 GLU 43 2HG GLU 43 9.013 -1.234 4.862
317 HG3 GLU 43 3HG GLU 43 7.859 -2.395 4.276
318 H ASN 44 H ASN 44 5.531 -3.207 2.729
319 HA ASN 44 HA ASN 44 6.103 -3.245 -0.200
320 HB2 ASN 44 2HB ASN 44 6.788 -5.680 0.198
321 HB3 ASN 44 3HB ASN 44 7.853 -4.452 0.874
322 HD21 ASN 44 1HD2 ASN 44 8.400 -4.527 2.898
323 HD22 ASN 44 2HD2 ASN 44 7.657 -5.675 4.019
324 H GLY 45 H GLY 45 3.508 -2.751 1.358
325 HA2 GLY 45 2HA GLY 45 1.769 -4.948 1.281
326 HA3 GLY 45 3HA GLY 45 1.342 -3.247 1.192
327 H TRP 46 H TRP 46 1.896 -2.308 -1.061
328 HA TRP 46 HA TRP 46 1.375 -1.969 -3.198
329 HB2 TRP 46 2HB TRP 46 2.378 -4.162 -3.849
330 HB3 TRP 46 3HB TRP 46 0.796 -4.904 -3.637
331 HD1 TRP 46 HD1 TRP 46 2.802 -2.780 -6.004
332 HE1 TRP 46 HE1 TRP 46 1.456 -2.175 -8.104
333 HE3 TRP 46 HE3 TRP 46 -1.783 -4.635 -4.629
334 HZ2 TRP 46 HZ2 TRP 46 -1.247 -2.377 -9.032
335 HZ3 TRP 46 HZ3 TRP 46 -3.723 -4.402 -6.146
336 HH2 TRP 46 HH2 TRP 46 -3.470 -3.265 -8.341
337 H CYS 47 H CYS 47 -0.365 -0.960 -3.927
338 HA CYS 47 HA CYS 47 -2.964 -2.313 -3.927
339 HB2 CYS 47 2HB CYS 47 -4.160 -0.695 -2.738
340 HB3 CYS 47 3HB CYS 47 -2.659 -0.754 -1.798
341 H ARG 48 H ARG 48 -4.595 -0.804 -5.057
342 HA ARG 48 HA ARG 48 -3.635 -0.086 -7.705
343 HB2 ARG 48 2HB ARG 48 -6.342 0.158 -6.310
344 HB3 ARG 48 3HB ARG 48 -6.065 0.640 -7.983
345 HG2 ARG 48 2HG ARG 48 -5.299 -1.672 -8.521
346 HG3 ARG 48 3HG ARG 48 -5.690 -2.177 -6.874
347 HD2 ARG 48 2HD ARG 48 -7.530 -2.780 -8.348
348 HD3 ARG 48 3HD ARG 48 -8.058 -1.502 -7.244
349 HE ARG 48 HE ARG 48 -7.047 -0.766 -9.961
350 HH11 ARG 48 1HH1 ARG 48 -10.048 -1.187 -8.121
351 HH12 ARG 48 2HH1 ARG 48 -10.767 0.181 -8.979
352 HH21 ARG 48 1HH2 ARG 48 -8.040 1.084 -10.706
353 HH22 ARG 48 2HH2 ARG 48 -9.782 1.248 -10.445
354 H LEU 49 H LEU 49 -3.497 1.776 -4.922
355 HA LEU 49 HA LEU 49 -3.362 3.877 -4.353
356 HB2 LEU 49 2HB LEU 49 -1.855 5.250 -5.508
357 HB3 LEU 49 3HB LEU 49 -1.314 3.587 -5.459
358 HG LEU 49 HG LEU 49 -1.820 3.351 -7.880
359 HD11 LEU 49 1HD1 LEU 49 -2.548 6.321 -7.706
360 HD12 LEU 49 2HD1 LEU 49 -2.207 5.441 -9.215
361 HD13 LEU 49 3HD1 LEU 49 -3.604 4.994 -8.253
362 HD21 LEU 49 1HD2 LEU 49 0.390 4.081 -7.072
363 HD22 LEU 49 2HD2 LEU 49 -0.004 4.791 -8.643
364 HD23 LEU 49 3HD2 LEU 49 -0.128 5.781 -7.172
365 H TYR 50 H TYR 50 -3.657 6.248 -4.658
366 HA TYR 50 HA TYR 50 -6.025 6.914 -6.357
367 HB2 TYR 50 2HB TYR 50 -6.899 6.185 -4.203
368 HB3 TYR 50 3HB TYR 50 -5.808 7.267 -3.348
369 HD1 TYR 50 HD1 TYR 50 -8.323 7.569 -6.170
370 HD2 TYR 50 HD2 TYR 50 -6.857 9.153 -2.436
371 HE1 TYR 50 HE1 TYR 50 -10.037 9.352 -6.249
372 HE2 TYR 50 HE2 TYR 50 -8.588 10.935 -2.516
373 HH TYR 50 HH TYR 50 -10.884 11.218 -5.263
374 H ALA 51 H ALA 51 -3.277 8.239 -4.440
375 HA ALA 51 HA ALA 51 -4.036 10.980 -5.112
376 HB1 ALA 51 1HB ALA 51 -1.629 9.938 -3.601
377 HB2 ALA 51 2HB ALA 51 -2.281 11.587 -3.570
378 HB3 ALA 51 3HB ALA 51 -3.219 10.257 -2.866
379 H GLY 52 H GLY 52 -2.495 12.567 -5.904
380 HA2 GLY 52 2HA GLY 52 -1.025 11.796 -8.254
381 HA3 GLY 52 3HA GLY 52 -1.178 13.416 -7.597
382 H LYS 53 H LYS 53 1.174 13.120 -8.480
383 HA LYS 53 HA LYS 53 3.160 11.952 -6.643
384 HB2 LYS 53 2HB LYS 53 3.460 13.606 -9.183
385 HB3 LYS 53 3HB LYS 53 4.794 12.977 -8.222
386 HG2 LYS 53 2HG LYS 53 4.631 11.496 -9.958
387 HG3 LYS 53 3HG LYS 53 3.924 10.647 -8.580
388 HD2 LYS 53 2HD LYS 53 1.664 11.131 -9.447
389 HD3 LYS 53 3HD LYS 53 2.347 12.030 -10.805
390 HE2 LYS 53 2HE LYS 53 2.781 9.068 -10.208
391 HE3 LYS 53 3HE LYS 53 1.628 9.700 -11.391
392 HZ1 LYS 53 1HZ LYS 53 3.544 10.563 -12.651
393 HZ2 LYS 53 2HZ LYS 53 4.579 9.915 -11.512
394 HZ3 LYS 53 3HZ LYS 53 3.640 8.947 -12.421
395 H ALA 54 H ALA 54 1.586 13.527 -5.375
396 HA ALA 54 HA ALA 54 1.119 15.336 -4.086
397 HB1 ALA 54 1HB ALA 54 2.814 14.190 -2.762
398 HB2 ALA 54 2HB ALA 54 4.094 15.138 -3.531
399 HB3 ALA 54 3HB ALA 54 2.886 15.938 -2.500
Start of MODEL 4
1 H1 VAL 1 1H VAL 1 -13.331 12.835 4.710
2 H2 VAL 1 2H VAL 1 -13.686 14.309 4.065
3 H3 VAL 1 3H VAL 1 -14.232 12.959 3.341
4 HA VAL 1 HA VAL 1 -14.978 13.816 6.052
5 HB VAL 1 HB VAL 1 -17.282 14.187 5.139
6 HG11 VAL 1 1HG1 VAL 1 -15.071 16.094 4.295
7 HG12 VAL 1 2HG1 VAL 1 -16.778 16.499 4.541
8 HG13 VAL 1 3HG1 VAL 1 -15.802 15.963 5.913
9 HG21 VAL 1 1HG2 VAL 1 -17.043 13.224 2.851
10 HG22 VAL 1 2HG2 VAL 1 -17.549 14.911 2.836
11 HG23 VAL 1 3HG2 VAL 1 -15.871 14.512 2.452
12 H THR 2 H THR 2 -15.740 11.442 3.423
13 HA THR 2 HA THR 2 -16.916 9.662 5.496
14 HB THR 2 HB THR 2 -18.195 9.720 3.538
15 HG1 THR 2 HG1 THR 2 -16.954 7.345 2.953
16 HG21 THR 2 1HG2 THR 2 -15.675 9.050 1.996
17 HG22 THR 2 2HG2 THR 2 -17.322 8.864 1.339
18 HG23 THR 2 3HG2 THR 2 -16.744 10.460 1.804
19 H LYS 3 H LYS 3 -16.195 7.358 5.402
20 HA LYS 3 HA LYS 3 -13.601 7.214 6.550
21 HB2 LYS 3 2HB LYS 3 -15.563 5.881 7.162
22 HB3 LYS 3 3HB LYS 3 -15.548 5.074 5.592
23 HG2 LYS 3 2HG LYS 3 -13.462 3.933 6.137
24 HG3 LYS 3 3HG LYS 3 -13.309 4.851 7.656
25 HD2 LYS 3 2HD LYS 3 -15.369 3.852 8.514
26 HD3 LYS 3 3HD LYS 3 -15.667 3.046 6.964
27 HE2 LYS 3 2HE LYS 3 -13.654 1.679 7.230
28 HE3 LYS 3 3HE LYS 3 -13.266 2.500 8.749
29 HZ1 LYS 3 1HZ LYS 3 -15.762 0.967 8.286
30 HZ2 LYS 3 2HZ LYS 3 -14.434 0.376 9.084
31 HZ3 LYS 3 3HZ LYS 3 -15.274 1.658 9.703
32 H LYS 4 H LYS 4 -11.732 6.143 5.986
33 HA LYS 4 HA LYS 4 -10.614 6.280 3.413
34 HB2 LYS 4 2HB LYS 4 -9.898 4.495 5.772
35 HB3 LYS 4 3HB LYS 4 -8.896 4.743 4.342
36 HG2 LYS 4 2HG LYS 4 -8.894 7.220 4.815
37 HG3 LYS 4 3HG LYS 4 -9.789 6.905 6.295
38 HD2 LYS 4 2HD LYS 4 -7.449 7.180 6.834
39 HD3 LYS 4 3HD LYS 4 -7.960 5.519 7.163
40 HE2 LYS 4 2HE LYS 4 -6.983 4.861 4.915
41 HE3 LYS 4 3HE LYS 4 -6.356 6.503 4.757
42 HZ1 LYS 4 1HZ LYS 4 -5.060 6.134 6.779
43 HZ2 LYS 4 2HZ LYS 4 -5.691 4.643 6.982
44 HZ3 LYS 4 3HZ LYS 4 -4.705 4.949 5.691
45 H ALA 5 H ALA 5 -9.794 4.674 2.042
46 HA ALA 5 HA ALA 5 -11.679 2.593 1.269
47 HB1 ALA 5 1HB ALA 5 -8.872 3.213 0.269
48 HB2 ALA 5 2HB ALA 5 -10.035 2.110 -0.495
49 HB3 ALA 5 3HB ALA 5 -10.391 3.848 -0.407
50 H SER 6 H SER 6 -11.614 0.430 1.687
51 HA SER 6 HA SER 6 -9.705 -0.656 3.639
52 HB2 SER 6 2HB SER 6 -10.985 -2.677 3.496
53 HB3 SER 6 3HB SER 6 -12.123 -1.324 3.560
54 HG SER 6 HG SER 6 -12.853 -2.477 1.854
55 H HIS 7 H HIS 7 -8.387 -2.555 3.198
56 HA HIS 7 HA HIS 7 -6.957 -2.461 0.682
57 HB2 HIS 7 2HB HIS 7 -6.898 -4.298 3.065
58 HB3 HIS 7 3HB HIS 7 -6.048 -4.728 1.592
59 HD2 HIS 7 HD2 HIS 7 -6.188 -1.739 4.081
60 HE1 HIS 7 HE1 HIS 7 -2.449 -1.531 2.053
61 HE2 HIS 7 HE2 HIS 7 -3.883 -0.481 3.898
62 H LYS 8 H LYS 8 -9.873 -4.225 1.495
63 HA LYS 8 HA LYS 8 -9.955 -5.929 -0.853
64 HB2 LYS 8 2HB LYS 8 -12.197 -4.533 0.690
65 HB3 LYS 8 3HB LYS 8 -12.453 -5.736 -0.553
66 HG2 LYS 8 2HG LYS 8 -10.881 -6.271 1.980
67 HG3 LYS 8 3HG LYS 8 -12.630 -6.462 1.839
68 HD2 LYS 8 2HD LYS 8 -12.299 -8.048 -0.058
69 HD3 LYS 8 3HD LYS 8 -10.543 -7.936 0.157
70 HE2 LYS 8 2HE LYS 8 -10.639 -8.964 2.325
71 HE3 LYS 8 3HE LYS 8 -12.396 -8.757 2.417
72 HZ1 LYS 8 1HZ LYS 8 -12.643 -10.290 0.589
73 HZ2 LYS 8 2HZ LYS 8 -11.012 -10.549 0.508
74 HZ3 LYS 8 3HZ LYS 8 -11.875 -11.029 1.832
75 H ASP 9 H ASP 9 -11.427 -2.731 -0.269
76 HA ASP 9 HA ASP 9 -12.267 -2.314 -2.966
77 HB2 ASP 9 2HB ASP 9 -11.958 -0.654 -0.480
78 HB3 ASP 9 3HB ASP 9 -12.114 0.170 -2.001
79 H ALA 10 H ALA 10 -9.176 -1.641 -1.399
80 HA ALA 10 HA ALA 10 -8.095 -0.394 -3.816
81 HB1 ALA 10 1HB ALA 10 -6.717 -1.100 -1.209
82 HB2 ALA 10 2HB ALA 10 -6.171 0.059 -2.441
83 HB3 ALA 10 3HB ALA 10 -7.623 0.408 -1.492
84 H GLY 11 H GLY 11 -8.724 -3.533 -3.386
85 HA2 GLY 11 2HA GLY 11 -8.122 -5.327 -4.650
86 HA3 GLY 11 3HA GLY 11 -7.178 -4.213 -5.640
87 H TYR 12 H TYR 12 -6.586 -5.000 -2.228
88 HA TYR 12 HA TYR 12 -3.808 -5.355 -2.506
89 HB2 TYR 12 2HB TYR 12 -4.837 -4.628 -0.481
90 HB3 TYR 12 3HB TYR 12 -5.810 -6.090 -0.368
91 HD1 TYR 12 HD1 TYR 12 -2.424 -4.680 0.197
92 HD2 TYR 12 HD2 TYR 12 -4.974 -8.142 0.540
93 HE1 TYR 12 HE1 TYR 12 -0.783 -5.748 1.745
94 HE2 TYR 12 HE2 TYR 12 -3.348 -9.200 2.075
95 HH TYR 12 HH TYR 12 -1.388 -9.008 3.126
96 H GLN 13 H GLN 13 -2.412 -7.034 -2.294
97 HA GLN 13 HA GLN 13 -3.331 -9.852 -2.571
98 HB2 GLN 13 2HB GLN 13 -1.349 -10.196 -4.117
99 HB3 GLN 13 3HB GLN 13 -2.691 -9.335 -4.825
100 HG2 GLN 13 2HG GLN 13 -1.617 -7.216 -4.688
101 HG3 GLN 13 3HG GLN 13 -0.331 -7.866 -3.663
102 HE21 GLN 13 1HE2 GLN 13 1.121 -6.953 -5.135
103 HE22 GLN 13 2HE2 GLN 13 1.595 -8.021 -6.412
104 H GLU 14 H GLU 14 -1.668 -11.420 -2.100
105 HA GLU 14 HA GLU 14 -0.404 -11.150 0.380
106 HB2 GLU 14 2HB GLU 14 0.546 -13.317 -0.120
107 HB3 GLU 14 3HB GLU 14 -1.107 -13.233 -0.730
108 HG2 GLU 14 2HG GLU 14 -0.109 -12.703 -3.033
109 HG3 GLU 14 3HG GLU 14 1.472 -13.074 -2.347
110 H SER 15 H SER 15 0.849 -9.787 -2.518
111 HA SER 15 HA SER 15 3.600 -9.594 -1.392
112 HB2 SER 15 2HB SER 15 4.390 -10.304 -3.782
113 HB3 SER 15 3HB SER 15 3.890 -11.517 -2.631
114 HG SER 15 HG SER 15 2.795 -12.071 -4.384
115 HA PRO 16 HA PRO 16 3.999 -5.782 -3.880
116 HB2 PRO 16 2HB PRO 16 6.596 -6.940 -4.857
117 HB3 PRO 16 3HB PRO 16 6.274 -5.322 -4.169
118 HG2 PRO 16 2HG PRO 16 7.503 -7.212 -2.657
119 HG3 PRO 16 3HG PRO 16 6.205 -6.199 -1.955
120 HD2 PRO 16 2HD PRO 16 5.946 -9.022 -3.068
121 HD3 PRO 16 3HD PRO 16 5.393 -8.373 -1.503
122 H ASN 17 H ASN 17 3.787 -5.185 -6.116
123 HA ASN 17 HA ASN 17 3.159 -7.421 -8.001
124 HB2 ASN 17 2HB ASN 17 1.366 -5.850 -7.668
125 HB3 ASN 17 3HB ASN 17 2.420 -4.483 -7.895
126 HD21 ASN 17 1HD2 ASN 17 0.591 -4.011 -9.454
127 HD22 ASN 17 2HD2 ASN 17 0.707 -4.686 -11.076
128 H GLY 18 H GLY 18 5.315 -8.066 -8.386
129 HA2 GLY 18 2HA GLY 18 7.445 -8.006 -9.254
130 HA3 GLY 18 3HA GLY 18 6.869 -6.783 -10.381
131 H ALA 19 H ALA 19 7.706 -4.801 -10.194
132 HA ALA 19 HA ALA 19 9.540 -4.062 -8.016
133 HB1 ALA 19 1HB ALA 19 10.024 -3.633 -10.419
134 HB2 ALA 19 2HB ALA 19 8.622 -2.546 -10.499
135 HB3 ALA 19 3HB ALA 19 10.004 -2.141 -9.458
136 H LYS 20 H LYS 20 6.130 -3.581 -8.653
137 HA LYS 20 HA LYS 20 6.000 -0.942 -7.379
138 HB2 LYS 20 2HB LYS 20 3.858 -2.784 -8.466
139 HB3 LYS 20 3HB LYS 20 3.642 -1.094 -8.027
140 HG2 LYS 20 2HG LYS 20 4.595 -0.310 -9.941
141 HG3 LYS 20 3HG LYS 20 5.844 -1.536 -10.016
142 HD2 LYS 20 2HD LYS 20 4.310 -3.202 -10.853
143 HD3 LYS 20 3HD LYS 20 2.947 -2.105 -10.675
144 HE2 LYS 20 2HE LYS 20 4.035 -0.556 -12.342
145 HE3 LYS 20 3HE LYS 20 5.370 -1.704 -12.501
146 HZ1 LYS 20 1HZ LYS 20 3.832 -2.067 -14.271
147 HZ2 LYS 20 2HZ LYS 20 3.682 -3.359 -13.258
148 HZ3 LYS 20 3HZ LYS 20 2.540 -2.187 -13.252
149 H ARG 21 H ARG 21 5.682 -0.579 -5.318
150 HA ARG 21 HA ARG 21 4.035 -2.343 -3.661
151 HB2 ARG 21 2HB ARG 21 5.579 -3.060 -2.173
152 HB3 ARG 21 3HB ARG 21 6.559 -3.053 -3.619
153 HG2 ARG 21 2HG ARG 21 7.376 -0.681 -2.799
154 HG3 ARG 21 3HG ARG 21 6.645 -1.140 -1.271
155 HD2 ARG 21 2HD ARG 21 7.989 -3.340 -1.450
156 HD3 ARG 21 3HD ARG 21 8.907 -2.548 -2.730
157 HE ARG 21 HE ARG 21 8.903 -1.933 0.175
158 HH11 ARG 21 1HH1 ARG 21 9.933 -0.671 -2.976
159 HH12 ARG 21 2HH1 ARG 21 11.152 0.329 -2.228
160 HH21 ARG 21 1HH2 ARG 21 10.582 -0.859 0.956
161 HH22 ARG 21 2HH2 ARG 21 11.408 0.347 -0.030
162 H CYS 22 H CYS 22 4.200 -1.231 -1.251
163 HA CYS 22 HA CYS 22 3.642 1.603 -1.260
164 HB2 CYS 22 2HB CYS 22 4.585 -0.289 0.943
165 HB3 CYS 22 3HB CYS 22 3.743 1.264 1.147
166 H GLY 23 H GLY 23 6.009 1.169 0.984
167 HA2 GLY 23 2HA GLY 23 8.052 2.045 1.452
168 HA3 GLY 23 3HA GLY 23 8.493 1.510 -0.165
169 H THR 24 H THR 24 7.493 3.123 -1.877
170 HA THR 24 HA THR 24 6.909 5.788 -1.164
171 HB THR 24 HB THR 24 9.199 6.282 -1.031
172 HG1 THR 24 HG1 THR 24 8.099 7.850 -2.003
173 HG21 THR 24 1HG2 THR 24 10.789 5.998 -2.841
174 HG22 THR 24 2HG2 THR 24 10.169 4.433 -2.280
175 HG23 THR 24 3HG2 THR 24 9.577 5.131 -3.802
176 H CYS 25 H CYS 25 5.091 5.882 -2.338
177 HA CYS 25 HA CYS 25 4.944 4.570 -5.029
178 HB2 CYS 25 2HB CYS 25 2.844 3.478 -4.104
179 HB3 CYS 25 3HB CYS 25 4.317 2.998 -3.255
180 H ARG 26 H ARG 26 2.575 5.944 -2.900
181 HA ARG 26 HA ARG 26 2.029 8.286 -4.644
182 HB2 ARG 26 2HB ARG 26 0.538 6.282 -5.262
183 HB3 ARG 26 3HB ARG 26 -0.225 6.471 -3.675
184 HG2 ARG 26 2HG ARG 26 -0.804 8.845 -4.308
185 HG3 ARG 26 3HG ARG 26 -0.061 8.566 -5.889
186 HD2 ARG 26 2HD ARG 26 -1.728 6.746 -6.317
187 HD3 ARG 26 3HD ARG 26 -2.493 7.114 -4.756
188 HE ARG 26 HE ARG 26 -2.271 9.524 -6.235
189 HH11 ARG 26 1HH1 ARG 26 -4.144 6.552 -6.562
190 HH12 ARG 26 2HH1 ARG 26 -5.435 7.404 -7.379
191 HH21 ARG 26 1HH2 ARG 26 -4.019 10.517 -7.100
192 HH22 ARG 26 2HH2 ARG 26 -5.460 9.602 -7.448
193 H GLN 27 H GLN 27 1.273 6.671 -1.497
194 HA GLN 27 HA GLN 27 1.621 9.233 -0.131
195 HB2 GLN 27 2HB GLN 27 -1.067 7.878 0.227
196 HB3 GLN 27 3HB GLN 27 -0.489 9.391 0.921
197 HG2 GLN 27 2HG GLN 27 -0.608 10.501 -1.244
198 HG3 GLN 27 3HG GLN 27 -1.191 9.000 -1.995
199 HE21 GLN 27 1HE2 GLN 27 -3.233 8.052 -1.026
200 HE22 GLN 27 2HE2 GLN 27 -4.472 9.228 -0.550
201 H PHE 28 H PHE 28 3.082 6.720 0.135
202 HA PHE 28 HA PHE 28 2.125 5.044 2.159
203 HB2 PHE 28 2HB PHE 28 3.965 4.428 0.706
204 HB3 PHE 28 3HB PHE 28 4.963 5.725 1.336
205 HD1 PHE 28 HD1 PHE 28 2.923 2.967 2.985
206 HD2 PHE 28 HD2 PHE 28 6.740 4.918 2.586
207 HE1 PHE 28 HE1 PHE 28 3.887 1.405 4.638
208 HE2 PHE 28 HE2 PHE 28 7.711 3.346 4.246
209 HZ PHE 28 HZ PHE 28 6.279 1.599 5.284
210 H ARG 29 H ARG 29 4.251 7.866 2.669
211 HA ARG 29 HA ARG 29 5.093 8.892 4.528
212 HB2 ARG 29 2HB ARG 29 2.320 8.330 5.556
213 HB3 ARG 29 3HB ARG 29 3.541 9.138 6.526
214 HG2 ARG 29 2HG ARG 29 2.286 10.855 5.568
215 HG3 ARG 29 3HG ARG 29 3.832 10.868 4.727
216 HD2 ARG 29 2HD ARG 29 2.854 9.889 2.754
217 HD3 ARG 29 3HD ARG 29 1.441 9.370 3.652
218 HE ARG 29 HE ARG 29 0.712 11.705 3.838
219 HH11 ARG 29 1HH1 ARG 29 3.334 11.425 1.514
220 HH12 ARG 29 2HH1 ARG 29 2.752 12.798 0.623
221 HH21 ARG 29 1HH2 ARG 29 0.140 13.433 2.709
222 HH22 ARG 29 2HH2 ARG 29 0.806 13.667 1.082
223 HA PRO 30 HA PRO 30 6.787 5.098 6.471
224 HB2 PRO 30 2HB PRO 30 9.032 7.099 6.792
225 HB3 PRO 30 3HB PRO 30 9.136 5.342 6.451
226 HG2 PRO 30 2HG PRO 30 9.397 7.104 4.447
227 HG3 PRO 30 3HG PRO 30 8.365 5.659 4.216
228 HD2 PRO 30 2HD PRO 30 7.496 8.490 4.837
229 HD3 PRO 30 3HD PRO 30 6.803 7.324 3.670
230 HA PRO 31 HA PRO 31 8.123 4.066 8.228
231 HB2 PRO 31 2HB PRO 31 7.468 2.554 10.379
232 HB3 PRO 31 3HB PRO 31 8.636 3.903 10.473
233 HG2 PRO 31 2HG PRO 31 5.678 3.961 11.177
234 HG3 PRO 31 3HG PRO 31 7.063 4.516 12.176
235 HD2 PRO 31 2HD PRO 31 5.623 6.239 10.615
236 HD3 PRO 31 3HD PRO 31 7.382 6.432 10.839
237 H SER 32 H SER 32 4.648 4.425 8.691
238 HA SER 32 HA SER 32 4.054 2.078 6.991
239 HB2 SER 32 2HB SER 32 2.785 0.924 8.752
240 HB3 SER 32 3HB SER 32 4.463 1.134 9.258
241 HG SER 32 HG SER 32 3.261 1.740 10.962
242 H SER 33 H SER 33 3.273 5.192 7.378
243 HA SER 33 HA SER 33 0.556 4.835 8.429
244 HB2 SER 33 2HB SER 33 2.209 7.351 8.172
245 HB3 SER 33 3HB SER 33 0.645 7.074 8.976
246 HG SER 33 HG SER 33 1.797 5.449 10.276
247 H CYS 34 H CYS 34 0.530 4.120 5.996
248 HA CYS 34 HA CYS 34 0.057 5.866 3.875
249 HB2 CYS 34 2HB CYS 34 0.326 3.490 3.463
250 HB3 CYS 34 3HB CYS 34 -1.219 3.122 4.258
251 H ILE 35 H ILE 35 -1.540 6.933 2.958
252 HA ILE 35 HA ILE 35 -4.187 7.104 4.356
253 HB ILE 35 HB ILE 35 -4.326 9.458 3.687
254 HG12 ILE 35 2HG1 ILE 35 -1.325 9.242 3.170
255 HG13 ILE 35 3HG1 ILE 35 -2.556 9.267 1.899
256 HG21 ILE 35 1HG2 ILE 35 -2.004 8.755 5.530
257 HG22 ILE 35 2HG2 ILE 35 -2.997 10.224 5.574
258 HG23 ILE 35 3HG2 ILE 35 -3.725 8.674 5.965
259 HD11 ILE 35 1HD1 ILE 35 -2.060 11.472 3.912
260 HD12 ILE 35 2HD1 ILE 35 -1.612 11.488 2.197
261 HD13 ILE 35 3HD1 ILE 35 -3.329 11.474 2.664
262 H THR 36 H THR 36 -2.806 6.047 1.502
263 HA THR 36 HA THR 36 -5.046 6.742 -0.273
264 HB THR 36 HB THR 36 -3.075 4.442 -0.493
265 HG1 THR 36 HG1 THR 36 -1.757 5.712 -1.401
266 HG21 THR 36 1HG2 THR 36 -3.513 4.611 -2.903
267 HG22 THR 36 2HG2 THR 36 -5.023 4.299 -2.037
268 HG23 THR 36 3HG2 THR 36 -4.666 5.939 -2.630
269 H VAL 37 H VAL 37 -4.120 4.107 1.895
270 HA VAL 37 HA VAL 37 -6.848 2.912 1.840
271 HB VAL 37 HB VAL 37 -4.403 1.146 1.960
272 HG11 VAL 37 1HG1 VAL 37 -7.199 0.780 0.786
273 HG12 VAL 37 2HG1 VAL 37 -5.934 -0.468 0.904
274 HG13 VAL 37 3HG1 VAL 37 -6.672 0.172 2.359
275 HG21 VAL 37 1HG2 VAL 37 -3.910 2.306 -0.112
276 HG22 VAL 37 2HG2 VAL 37 -4.536 0.715 -0.479
277 HG23 VAL 37 3HG2 VAL 37 -5.599 2.127 -0.661
278 H GLU 38 H GLU 38 -7.019 1.271 3.795
279 HA GLU 38 HA GLU 38 -6.468 2.449 6.231
280 HB2 GLU 38 2HB GLU 38 -6.829 -0.481 5.570
281 HB3 GLU 38 3HB GLU 38 -6.634 0.083 7.202
282 HG2 GLU 38 2HG GLU 38 -8.524 1.753 6.674
283 HG3 GLU 38 3HG GLU 38 -8.846 0.733 5.297
284 H SER 39 H SER 39 -5.157 2.261 7.840
285 HA SER 39 HA SER 39 -2.405 1.210 7.447
286 HB2 SER 39 2HB SER 39 -1.447 3.307 8.166
287 HB3 SER 39 3HB SER 39 -2.482 3.548 6.763
288 HG SER 39 HG SER 39 -2.833 5.150 8.363
289 HA PRO 40 HA PRO 40 -0.235 1.803 9.089
290 HB2 PRO 40 2HB PRO 40 1.081 -0.204 10.387
291 HB3 PRO 40 3HB PRO 40 0.708 1.376 11.141
292 HG2 PRO 40 2HG PRO 40 -0.913 -1.177 11.335
293 HG3 PRO 40 3HG PRO 40 -0.300 -0.168 12.681
294 HD2 PRO 40 2HD PRO 40 -2.802 0.188 11.808
295 HD3 PRO 40 3HD PRO 40 -1.796 1.625 12.120
296 H ILE 41 H ILE 41 1.002 0.631 7.583
297 HA ILE 41 HA ILE 41 0.119 -2.066 6.758
298 HB ILE 41 HB ILE 41 -1.064 -0.441 5.322
299 HG12 ILE 41 2HG1 ILE 41 -0.475 -1.260 3.117
300 HG13 ILE 41 3HG1 ILE 41 1.064 -1.863 3.685
301 HG21 ILE 41 1HG2 ILE 41 1.684 0.475 4.378
302 HG22 ILE 41 2HG2 ILE 41 0.129 0.960 3.698
303 HG23 ILE 41 3HG2 ILE 41 0.542 1.434 5.351
304 HD11 ILE 41 1HD1 ILE 41 -0.632 -3.653 3.398
305 HD12 ILE 41 2HD1 ILE 41 -0.101 -3.560 5.083
306 HD13 ILE 41 3HD1 ILE 41 -1.668 -2.872 4.606
307 H SER 42 H SER 42 1.712 -3.285 5.638
308 HA SER 42 HA SER 42 4.434 -2.885 6.484
309 HB2 SER 42 2HB SER 42 3.555 -5.123 6.028
310 HB3 SER 42 3HB SER 42 3.278 -4.685 4.326
311 HG SER 42 HG SER 42 5.219 -5.502 4.145
312 H GLU 43 H GLU 43 6.177 -2.053 5.405
313 HA GLU 43 HA GLU 43 5.819 -0.129 3.353
314 HB2 GLU 43 2HB GLU 43 8.152 0.162 3.403
315 HB3 GLU 43 3HB GLU 43 7.682 -0.251 5.041
316 HG2 GLU 43 2HG GLU 43 9.282 -1.802 5.009
317 HG3 GLU 43 3HG GLU 43 8.272 -2.768 3.960
318 H ASN 44 H ASN 44 5.724 -3.428 2.919
319 HA ASN 44 HA ASN 44 6.234 -3.141 0.008
320 HB2 ASN 44 2HB ASN 44 7.012 -5.434 -0.062
321 HB3 ASN 44 3HB ASN 44 7.938 -4.544 1.135
322 HD21 ASN 44 1HD2 ASN 44 8.579 -6.623 1.751
323 HD22 ASN 44 2HD2 ASN 44 7.626 -7.337 3.048
324 H GLY 45 H GLY 45 3.648 -2.894 1.790
325 HA2 GLY 45 2HA GLY 45 1.955 -5.086 1.382
326 HA3 GLY 45 3HA GLY 45 1.446 -3.416 1.630
327 H TRP 46 H TRP 46 2.050 -2.116 -0.554
328 HA TRP 46 HA TRP 46 1.483 -1.482 -2.591
329 HB2 TRP 46 2HB TRP 46 2.507 -3.690 -3.479
330 HB3 TRP 46 3HB TRP 46 0.891 -4.302 -3.483
331 HD1 TRP 46 HD1 TRP 46 2.316 -0.912 -4.802
332 HE1 TRP 46 HE1 TRP 46 1.287 -0.439 -7.086
333 HE3 TRP 46 HE3 TRP 46 -0.575 -5.109 -5.286
334 HZ2 TRP 46 HZ2 TRP 46 -0.456 -1.755 -8.958
335 HZ3 TRP 46 HZ3 TRP 46 -1.946 -5.450 -7.326
336 HH2 TRP 46 HH2 TRP 46 -1.910 -3.758 -9.156
337 H CYS 47 H CYS 47 -0.310 -0.732 -3.700
338 HA CYS 47 HA CYS 47 -2.889 -2.123 -3.325
339 HB2 CYS 47 2HB CYS 47 -4.037 -0.084 -2.768
340 HB3 CYS 47 3HB CYS 47 -2.685 -0.254 -1.647
341 H ARG 48 H ARG 48 -4.380 -1.800 -5.017
342 HA ARG 48 HA ARG 48 -3.261 -1.077 -7.634
343 HB2 ARG 48 2HB ARG 48 -5.989 -2.022 -6.670
344 HB3 ARG 48 3HB ARG 48 -5.712 -1.469 -8.329
345 HG2 ARG 48 2HG ARG 48 -3.922 -3.043 -8.641
346 HG3 ARG 48 3HG ARG 48 -4.100 -3.678 -6.993
347 HD2 ARG 48 2HD ARG 48 -6.207 -4.692 -7.536
348 HD3 ARG 48 3HD ARG 48 -6.359 -3.745 -9.019
349 HE ARG 48 HE ARG 48 -4.792 -5.087 -10.123
350 HH11 ARG 48 1HH1 ARG 48 -4.890 -6.218 -6.739
351 HH12 ARG 48 2HH1 ARG 48 -4.256 -7.769 -7.224
352 HH21 ARG 48 1HH2 ARG 48 -3.758 -7.021 -10.507
353 HH22 ARG 48 2HH2 ARG 48 -3.305 -8.016 -9.139
354 H LEU 49 H LEU 49 -4.385 0.830 -5.118
355 HA LEU 49 HA LEU 49 -5.504 2.985 -6.815
356 HB2 LEU 49 2HB LEU 49 -5.045 2.795 -3.825
357 HB3 LEU 49 3HB LEU 49 -5.818 4.151 -4.654
358 HG LEU 49 HG LEU 49 -6.872 1.309 -4.447
359 HD11 LEU 49 1HD1 LEU 49 -7.946 3.938 -3.342
360 HD12 LEU 49 2HD1 LEU 49 -8.650 2.324 -3.106
361 HD13 LEU 49 3HD1 LEU 49 -7.076 2.714 -2.396
362 HD21 LEU 49 1HD2 LEU 49 -7.589 2.178 -6.606
363 HD22 LEU 49 2HD2 LEU 49 -8.953 2.206 -5.494
364 HD23 LEU 49 3HD2 LEU 49 -8.089 3.716 -5.859
365 H TYR 50 H TYR 50 -2.357 2.006 -5.869
366 HA TYR 50 HA TYR 50 -1.114 4.541 -5.796
367 HB2 TYR 50 2HB TYR 50 0.794 3.421 -5.681
368 HB3 TYR 50 3HB TYR 50 -0.242 2.053 -5.362
369 HD1 TYR 50 HD1 TYR 50 -1.177 1.143 -7.990
370 HD2 TYR 50 HD2 TYR 50 2.661 2.748 -6.852
371 HE1 TYR 50 HE1 TYR 50 -0.167 0.254 -10.089
372 HE2 TYR 50 HE2 TYR 50 3.675 1.752 -8.864
373 HH TYR 50 HH TYR 50 3.208 1.016 -10.954
374 H ALA 51 H ALA 51 0.214 5.632 -7.498
375 HA ALA 51 HA ALA 51 -0.721 5.289 -10.272
376 HB1 ALA 51 1HB ALA 51 -1.259 7.830 -8.673
377 HB2 ALA 51 2HB ALA 51 -1.612 7.571 -10.388
378 HB3 ALA 51 3HB ALA 51 -2.496 6.647 -9.159
379 H GLY 52 H GLY 52 0.587 6.193 -11.819
380 HA2 GLY 52 2HA GLY 52 2.204 7.566 -12.770
381 HA3 GLY 52 3HA GLY 52 2.550 8.236 -11.170
382 H LYS 53 H LYS 53 2.812 5.030 -10.761
383 HA LYS 53 HA LYS 53 5.797 4.986 -11.157
384 HB2 LYS 53 2HB LYS 53 3.985 4.119 -8.918
385 HB3 LYS 53 3HB LYS 53 5.499 3.261 -9.180
386 HG2 LYS 53 2HG LYS 53 5.622 4.988 -7.439
387 HG3 LYS 53 3HG LYS 53 6.829 5.101 -8.723
388 HD2 LYS 53 2HD LYS 53 5.660 7.023 -9.701
389 HD3 LYS 53 3HD LYS 53 4.351 6.854 -8.516
390 HE2 LYS 53 2HE LYS 53 5.868 8.667 -7.886
391 HE3 LYS 53 3HE LYS 53 5.932 7.362 -6.690
392 HZ1 LYS 53 1HZ LYS 53 7.973 6.605 -7.635
393 HZ2 LYS 53 2HZ LYS 53 7.908 7.672 -8.887
394 HZ3 LYS 53 3HZ LYS 53 8.174 8.196 -7.346
395 H ALA 54 H ALA 54 5.028 4.312 -13.318
396 HA ALA 54 HA ALA 54 4.742 1.342 -13.554
397 HB1 ALA 54 1HB ALA 54 2.540 2.424 -13.818
398 HB2 ALA 54 2HB ALA 54 3.198 3.448 -15.118
399 HB3 ALA 54 3HB ALA 54 3.088 1.689 -15.337
Start of MODEL 5
1 H1 VAL 1 1H VAL 1 -16.276 6.901 11.920
2 H2 VAL 1 2H VAL 1 -16.539 7.924 13.161
3 H3 VAL 1 3H VAL 1 -15.348 8.252 12.068
4 HA VAL 1 HA VAL 1 -18.240 8.209 11.597
5 HB VAL 1 HB VAL 1 -18.123 10.586 11.101
6 HG11 VAL 1 1HG1 VAL 1 -18.736 9.677 13.363
7 HG12 VAL 1 2HG1 VAL 1 -17.068 9.961 13.895
8 HG13 VAL 1 3HG1 VAL 1 -18.091 11.321 13.396
9 HG21 VAL 1 1HG2 VAL 1 -15.740 11.001 10.583
10 HG22 VAL 1 2HG2 VAL 1 -16.267 11.978 11.936
11 HG23 VAL 1 3HG2 VAL 1 -15.285 10.541 12.246
12 H THR 2 H THR 2 -15.229 9.209 9.784
13 HA THR 2 HA THR 2 -16.389 7.843 7.400
14 HB THR 2 HB THR 2 -15.180 10.622 7.238
15 HG1 THR 2 HG1 THR 2 -17.026 11.290 7.655
16 HG21 THR 2 1HG2 THR 2 -16.601 8.903 5.153
17 HG22 THR 2 2HG2 THR 2 -16.007 10.565 4.921
18 HG23 THR 2 3HG2 THR 2 -14.858 9.258 5.191
19 H LYS 3 H LYS 3 -14.950 6.509 6.572
20 HA LYS 3 HA LYS 3 -12.039 6.888 7.177
21 HB2 LYS 3 2HB LYS 3 -13.694 4.993 8.296
22 HB3 LYS 3 3HB LYS 3 -13.181 4.140 6.852
23 HG2 LYS 3 2HG LYS 3 -11.709 3.528 8.570
24 HG3 LYS 3 3HG LYS 3 -10.768 4.624 7.556
25 HD2 LYS 3 2HD LYS 3 -11.326 6.474 9.231
26 HD3 LYS 3 3HD LYS 3 -12.131 5.257 10.223
27 HE2 LYS 3 2HE LYS 3 -9.179 5.310 9.455
28 HE3 LYS 3 3HE LYS 3 -9.854 5.765 11.024
29 HZ1 LYS 3 1HZ LYS 3 -9.826 3.059 9.807
30 HZ2 LYS 3 2HZ LYS 3 -9.056 3.520 11.164
31 HZ3 LYS 3 3HZ LYS 3 -10.695 3.403 11.165
32 H LYS 4 H LYS 4 -10.536 5.809 5.746
33 HA LYS 4 HA LYS 4 -11.357 5.879 2.914
34 HB2 LYS 4 2HB LYS 4 -8.639 5.444 4.191
35 HB3 LYS 4 3HB LYS 4 -8.951 5.525 2.457
36 HG2 LYS 4 2HG LYS 4 -10.248 7.806 3.216
37 HG3 LYS 4 3HG LYS 4 -9.094 7.700 4.530
38 HD2 LYS 4 2HD LYS 4 -8.186 9.147 2.876
39 HD3 LYS 4 3HD LYS 4 -7.241 7.646 2.832
40 HE2 LYS 4 2HE LYS 4 -8.487 6.886 0.862
41 HE3 LYS 4 3HE LYS 4 -9.585 8.264 0.959
42 HZ1 LYS 4 1HZ LYS 4 -6.673 8.577 0.535
43 HZ2 LYS 4 2HZ LYS 4 -7.743 8.456 -0.707
44 HZ3 LYS 4 3HZ LYS 4 -7.814 9.731 0.298
45 H ALA 5 H ALA 5 -10.316 4.203 1.475
46 HA ALA 5 HA ALA 5 -11.976 1.970 1.602
47 HB1 ALA 5 1HB ALA 5 -9.381 2.328 0.045
48 HB2 ALA 5 2HB ALA 5 -10.643 1.131 -0.307
49 HB3 ALA 5 3HB ALA 5 -11.003 2.859 -0.468
50 H SER 6 H SER 6 -11.829 -0.125 2.192
51 HA SER 6 HA SER 6 -9.927 -0.965 4.197
52 HB2 SER 6 2HB SER 6 -11.228 -2.974 4.255
53 HB3 SER 6 3HB SER 6 -12.359 -1.638 4.015
54 HG SER 6 HG SER 6 -12.923 -3.105 2.508
55 H HIS 7 H HIS 7 -8.816 -3.175 3.999
56 HA HIS 7 HA HIS 7 -6.943 -3.154 1.790
57 HB2 HIS 7 2HB HIS 7 -7.525 -5.131 4.023
58 HB3 HIS 7 3HB HIS 7 -6.295 -5.408 2.796
59 HD2 HIS 7 HD2 HIS 7 -6.766 -1.871 4.359
60 HE1 HIS 7 HE1 HIS 7 -2.979 -3.328 5.604
61 HE2 HIS 7 HE2 HIS 7 -4.509 -1.279 5.505
62 H LYS 8 H LYS 8 -10.028 -4.781 2.267
63 HA LYS 8 HA LYS 8 -10.008 -6.468 -0.084
64 HB2 LYS 8 2HB LYS 8 -11.596 -6.616 1.873
65 HB3 LYS 8 3HB LYS 8 -12.368 -5.156 1.280
66 HG2 LYS 8 2HG LYS 8 -13.702 -6.796 0.414
67 HG3 LYS 8 3HG LYS 8 -12.682 -6.457 -0.974
68 HD2 LYS 8 2HD LYS 8 -11.307 -8.453 -0.453
69 HD3 LYS 8 3HD LYS 8 -12.261 -8.718 1.028
70 HE2 LYS 8 2HE LYS 8 -14.286 -9.091 -0.282
71 HE3 LYS 8 3HE LYS 8 -13.401 -8.812 -1.786
72 HZ1 LYS 8 1HZ LYS 8 -12.775 -10.979 0.146
73 HZ2 LYS 8 2HZ LYS 8 -13.632 -11.180 -1.247
74 HZ3 LYS 8 3HZ LYS 8 -12.054 -10.763 -1.315
75 H ASP 9 H ASP 9 -11.481 -3.234 0.434
76 HA ASP 9 HA ASP 9 -12.308 -2.934 -2.270
77 HB2 ASP 9 2HB ASP 9 -12.088 -1.157 0.183
78 HB3 ASP 9 3HB ASP 9 -12.545 -0.492 -1.357
79 H ALA 10 H ALA 10 -9.287 -1.962 -0.675
80 HA ALA 10 HA ALA 10 -8.370 -0.432 -2.998
81 HB1 ALA 10 1HB ALA 10 -7.843 0.206 -0.668
82 HB2 ALA 10 2HB ALA 10 -6.921 -1.303 -0.473
83 HB3 ALA 10 3HB ALA 10 -6.383 -0.067 -1.632
84 H GLY 11 H GLY 11 -8.633 -3.742 -2.601
85 HA2 GLY 11 2HA GLY 11 -7.698 -5.541 -3.676
86 HA3 GLY 11 3HA GLY 11 -6.899 -4.416 -4.773
87 H TYR 12 H TYR 12 -6.223 -4.196 -1.345
88 HA TYR 12 HA TYR 12 -3.431 -4.184 -1.791
89 HB2 TYR 12 2HB TYR 12 -4.739 -2.942 -0.034
90 HB3 TYR 12 3HB TYR 12 -4.893 -4.449 0.854
91 HD1 TYR 12 HD1 TYR 12 -2.890 -5.475 1.938
92 HD2 TYR 12 HD2 TYR 12 -2.658 -1.690 -0.087
93 HE1 TYR 12 HE1 TYR 12 -0.745 -4.996 3.088
94 HE2 TYR 12 HE2 TYR 12 -0.491 -1.228 1.022
95 HH TYR 12 HH TYR 12 1.113 -2.013 2.385
96 H GLN 13 H GLN 13 -1.809 -5.686 -1.515
97 HA GLN 13 HA GLN 13 -2.844 -8.471 -1.304
98 HB2 GLN 13 2HB GLN 13 -1.798 -8.983 -3.375
99 HB3 GLN 13 3HB GLN 13 -2.855 -7.596 -3.551
100 HG2 GLN 13 2HG GLN 13 -0.803 -6.096 -3.485
101 HG3 GLN 13 3HG GLN 13 0.203 -7.555 -3.503
102 HE21 GLN 13 1HE2 GLN 13 1.271 -6.988 -5.442
103 HE22 GLN 13 2HE2 GLN 13 0.349 -7.200 -6.899
104 H GLU 14 H GLU 14 -1.629 -10.232 -1.025
105 HA GLU 14 HA GLU 14 0.974 -9.965 0.361
106 HB2 GLU 14 2HB GLU 14 0.653 -12.249 1.020
107 HB3 GLU 14 3HB GLU 14 -0.817 -11.333 1.322
108 HG2 GLU 14 2HG GLU 14 -1.543 -12.262 -1.055
109 HG3 GLU 14 3HG GLU 14 -0.299 -13.471 -0.754
110 H SER 15 H SER 15 -0.076 -10.452 -2.842
111 HA SER 15 HA SER 15 2.227 -11.942 -3.807
112 HB2 SER 15 2HB SER 15 1.172 -10.866 -6.045
113 HB3 SER 15 3HB SER 15 0.568 -12.329 -5.268
114 HG SER 15 HG SER 15 -0.970 -10.489 -5.834
115 HA PRO 16 HA PRO 16 4.734 -8.285 -4.709
116 HB2 PRO 16 2HB PRO 16 6.376 -9.126 -6.642
117 HB3 PRO 16 3HB PRO 16 6.380 -9.917 -5.039
118 HG2 PRO 16 2HG PRO 16 4.998 -10.865 -7.566
119 HG3 PRO 16 3HG PRO 16 6.007 -11.812 -6.429
120 HD2 PRO 16 2HD PRO 16 3.222 -11.668 -6.365
121 HD3 PRO 16 3HD PRO 16 4.218 -12.069 -4.946
122 H ASN 17 H ASN 17 5.012 -6.576 -6.359
123 HA ASN 17 HA ASN 17 3.575 -6.984 -8.887
124 HB2 ASN 17 2HB ASN 17 2.027 -5.748 -7.329
125 HB3 ASN 17 3HB ASN 17 3.168 -4.410 -7.344
126 HD21 ASN 17 1HD2 ASN 17 1.480 -3.092 -8.371
127 HD22 ASN 17 2HD2 ASN 17 1.063 -3.346 -10.051
128 H GLY 18 H GLY 18 6.147 -7.330 -8.956
129 HA2 GLY 18 2HA GLY 18 8.167 -6.665 -9.841
130 HA3 GLY 18 3HA GLY 18 7.170 -5.655 -10.880
131 H ALA 19 H ALA 19 7.547 -3.540 -10.832
132 HA ALA 19 HA ALA 19 9.551 -2.379 -9.078
133 HB1 ALA 19 1HB ALA 19 9.412 -1.909 -11.501
134 HB2 ALA 19 2HB ALA 19 7.812 -1.174 -11.279
135 HB3 ALA 19 3HB ALA 19 9.248 -0.424 -10.560
136 H LYS 20 H LYS 20 6.222 -2.749 -8.485
137 HA LYS 20 HA LYS 20 5.976 -0.061 -7.188
138 HB2 LYS 20 2HB LYS 20 3.680 -1.773 -8.181
139 HB3 LYS 20 3HB LYS 20 3.681 -0.089 -7.677
140 HG2 LYS 20 2HG LYS 20 3.561 0.220 -9.910
141 HG3 LYS 20 3HG LYS 20 5.318 0.249 -9.741
142 HD2 LYS 20 2HD LYS 20 5.422 -2.110 -10.516
143 HD3 LYS 20 3HD LYS 20 3.653 -2.194 -10.523
144 HE2 LYS 20 2HE LYS 20 3.546 -0.497 -12.295
145 HE3 LYS 20 3HE LYS 20 5.302 -0.294 -12.243
146 HZ1 LYS 20 1HZ LYS 20 5.563 -2.562 -13.012
147 HZ2 LYS 20 2HZ LYS 20 3.971 -2.858 -12.948
148 HZ3 LYS 20 3HZ LYS 20 4.542 -1.784 -14.056
149 H ARG 21 H ARG 21 5.698 0.063 -5.052
150 HA ARG 21 HA ARG 21 3.997 -1.683 -3.581
151 HB2 ARG 21 2HB ARG 21 5.320 -3.011 -2.285
152 HB3 ARG 21 3HB ARG 21 6.349 -2.975 -3.708
153 HG2 ARG 21 2HG ARG 21 7.671 -1.110 -2.623
154 HG3 ARG 21 3HG ARG 21 6.657 -1.308 -1.185
155 HD2 ARG 21 2HD ARG 21 7.382 -3.681 -1.019
156 HD3 ARG 21 3HD ARG 21 8.515 -3.410 -2.338
157 HE ARG 21 HE ARG 21 8.552 -2.181 0.392
158 HH11 ARG 21 1HH1 ARG 21 10.208 -2.320 -2.713
159 HH12 ARG 21 2HH1 ARG 21 11.796 -2.172 -1.990
160 HH21 ARG 21 1HH2 ARG 21 10.732 -1.851 1.237
161 HH22 ARG 21 2HH2 ARG 21 11.985 -1.535 0.073
162 H CYS 22 H CYS 22 3.630 -0.949 -1.351
163 HA CYS 22 HA CYS 22 3.478 1.626 -0.715
164 HB2 CYS 22 2HB CYS 22 4.160 -0.702 1.138
165 HB3 CYS 22 3HB CYS 22 3.320 0.808 1.598
166 H GLY 23 H GLY 23 6.415 -0.175 0.507
167 HA2 GLY 23 2HA GLY 23 7.827 2.061 1.469
168 HA3 GLY 23 3HA GLY 23 8.552 0.556 0.916
169 H THR 24 H THR 24 7.190 1.395 -1.814
170 HA THR 24 HA THR 24 9.346 3.169 -2.859
171 HB THR 24 HB THR 24 7.778 0.973 -4.274
172 HG1 THR 24 HG1 THR 24 9.465 -0.296 -3.928
173 HG21 THR 24 1HG2 THR 24 9.721 1.054 -5.892
174 HG22 THR 24 2HG2 THR 24 8.643 2.443 -5.969
175 HG23 THR 24 3HG2 THR 24 10.211 2.586 -5.134
176 H CYS 25 H CYS 25 6.215 3.370 -1.876
177 HA CYS 25 HA CYS 25 5.010 4.560 -4.258
178 HB2 CYS 25 2HB CYS 25 3.858 2.897 -2.838
179 HB3 CYS 25 3HB CYS 25 3.916 4.005 -1.468
180 H ARG 26 H ARG 26 3.612 6.455 -4.005
181 HA ARG 26 HA ARG 26 5.010 8.803 -2.771
182 HB2 ARG 26 2HB ARG 26 4.320 8.898 -5.157
183 HB3 ARG 26 3HB ARG 26 2.633 8.652 -4.689
184 HG2 ARG 26 2HG ARG 26 2.600 10.799 -3.515
185 HG3 ARG 26 3HG ARG 26 4.343 11.005 -3.770
186 HD2 ARG 26 2HD ARG 26 3.946 11.090 -6.220
187 HD3 ARG 26 3HD ARG 26 2.210 10.910 -5.946
188 HE ARG 26 HE ARG 26 2.289 13.053 -4.639
189 HH11 ARG 26 1HH1 ARG 26 4.618 12.704 -7.247
190 HH12 ARG 26 2HH1 ARG 26 5.520 14.101 -6.720
191 HH21 ARG 26 1HH2 ARG 26 3.081 15.047 -4.430
192 HH22 ARG 26 2HH2 ARG 26 4.343 15.640 -5.494
193 H GLN 27 H GLN 27 2.430 6.643 -2.108
194 HA GLN 27 HA GLN 27 0.826 8.608 -0.613
195 HB2 GLN 27 2HB GLN 27 0.434 5.669 -1.228
196 HB3 GLN 27 3HB GLN 27 -0.803 6.738 -0.595
197 HG2 GLN 27 2HG GLN 27 0.523 7.066 -3.347
198 HG3 GLN 27 3HG GLN 27 -1.000 6.271 -3.062
199 HE21 GLN 27 1HE2 GLN 27 -2.827 7.543 -2.226
200 HE22 GLN 27 2HE2 GLN 27 -2.884 9.259 -2.668
201 H PHE 28 H PHE 28 3.305 6.458 0.200
202 HA PHE 28 HA PHE 28 2.209 5.016 2.340
203 HB2 PHE 28 2HB PHE 28 3.950 4.216 0.944
204 HB3 PHE 28 3HB PHE 28 5.007 5.561 1.332
205 HD1 PHE 28 HD1 PHE 28 3.153 3.251 3.697
206 HD2 PHE 28 HD2 PHE 28 6.937 4.554 2.114
207 HE1 PHE 28 HE1 PHE 28 4.351 1.881 5.402
208 HE2 PHE 28 HE2 PHE 28 8.122 3.190 3.819
209 HZ PHE 28 HZ PHE 28 6.826 1.861 5.470
210 H ARG 29 H ARG 29 4.132 8.017 2.525
211 HA ARG 29 HA ARG 29 5.010 9.179 4.303
212 HB2 ARG 29 2HB ARG 29 2.840 10.042 4.143
213 HB3 ARG 29 3HB ARG 29 2.153 8.730 5.080
214 HG2 ARG 29 2HG ARG 29 2.264 10.898 6.277
215 HG3 ARG 29 3HG ARG 29 3.018 9.559 7.119
216 HD2 ARG 29 2HD ARG 29 5.254 10.358 6.304
217 HD3 ARG 29 3HD ARG 29 4.447 11.791 5.624
218 HE ARG 29 HE ARG 29 3.567 11.663 8.254
219 HH11 ARG 29 1HH1 ARG 29 6.868 11.730 6.952
220 HH12 ARG 29 2HH1 ARG 29 7.485 12.204 8.543
221 HH21 ARG 29 1HH2 ARG 29 4.519 12.365 10.142
222 HH22 ARG 29 2HH2 ARG 29 6.249 12.632 10.144
223 HA PRO 30 HA PRO 30 6.352 5.340 6.376
224 HB2 PRO 30 2HB PRO 30 8.905 6.926 6.537
225 HB3 PRO 30 3HB PRO 30 8.676 5.210 6.105
226 HG2 PRO 30 2HG PRO 30 9.131 7.135 4.216
227 HG3 PRO 30 3HG PRO 30 8.032 5.767 3.910
228 HD2 PRO 30 2HD PRO 30 7.353 8.609 4.582
229 HD3 PRO 30 3HD PRO 30 6.513 7.457 3.509
230 HA PRO 31 HA PRO 31 7.565 4.169 7.951
231 HB2 PRO 31 2HB PRO 31 7.225 2.842 10.263
232 HB3 PRO 31 3HB PRO 31 8.510 4.074 10.068
233 HG2 PRO 31 2HG PRO 31 5.771 4.419 11.338
234 HG3 PRO 31 3HG PRO 31 7.367 4.906 11.997
235 HD2 PRO 31 2HD PRO 31 5.692 6.612 10.609
236 HD3 PRO 31 3HD PRO 31 7.473 6.780 10.600
237 H SER 32 H SER 32 4.314 5.098 8.940
238 HA SER 32 HA SER 32 3.266 2.431 8.095
239 HB2 SER 32 2HB SER 32 2.069 2.217 10.200
240 HB3 SER 32 3HB SER 32 3.802 2.406 10.495
241 HG SER 32 HG SER 32 1.749 3.934 11.336
242 H SER 33 H SER 33 2.720 5.579 7.298
243 HA SER 33 HA SER 33 -0.233 5.445 7.779
244 HB2 SER 33 2HB SER 33 1.541 7.878 7.590
245 HB3 SER 33 3HB SER 33 -0.212 7.795 7.891
246 HG SER 33 HG SER 33 0.143 6.853 9.827
247 H CYS 34 H CYS 34 -0.325 4.292 5.706
248 HA CYS 34 HA CYS 34 0.017 5.729 3.217
249 HB2 CYS 34 2HB CYS 34 -0.187 3.301 3.104
250 HB3 CYS 34 3HB CYS 34 -1.850 3.389 3.760
251 H ILE 35 H ILE 35 -1.182 7.175 2.207
252 HA ILE 35 HA ILE 35 -3.612 8.216 3.520
253 HB ILE 35 HB ILE 35 -1.691 9.651 2.779
254 HG12 ILE 35 2HG1 ILE 35 -4.380 10.520 1.658
255 HG13 ILE 35 3HG1 ILE 35 -3.995 10.457 3.381
256 HG21 ILE 35 1HG2 ILE 35 -2.890 9.389 -0.002
257 HG22 ILE 35 2HG2 ILE 35 -1.491 10.366 0.481
258 HG23 ILE 35 3HG2 ILE 35 -1.383 8.609 0.524
259 HD11 ILE 35 1HD1 ILE 35 -3.720 12.723 2.565
260 HD12 ILE 35 2HD1 ILE 35 -2.132 12.072 3.013
261 HD13 ILE 35 3HD1 ILE 35 -2.603 12.196 1.300
262 H THR 36 H THR 36 -3.090 5.811 1.266
263 HA THR 36 HA THR 36 -5.507 6.378 -0.370
264 HB THR 36 HB THR 36 -3.565 4.049 -0.467
265 HG1 THR 36 HG1 THR 36 -2.452 5.155 -1.796
266 HG21 THR 36 1HG2 THR 36 -5.601 5.084 -2.484
267 HG22 THR 36 2HG2 THR 36 -4.355 3.850 -2.807
268 HG23 THR 36 3HG2 THR 36 -5.645 3.514 -1.641
269 H VAL 37 H VAL 37 -4.357 4.027 2.027
270 HA VAL 37 HA VAL 37 -6.999 2.633 2.052
271 HB VAL 37 HB VAL 37 -5.221 1.518 0.723
272 HG11 VAL 37 1HG1 VAL 37 -3.363 0.363 1.849
273 HG12 VAL 37 2HG1 VAL 37 -3.217 2.111 1.999
274 HG13 VAL 37 3HG1 VAL 37 -3.778 1.149 3.383
275 HG21 VAL 37 1HG2 VAL 37 -7.023 0.175 1.749
276 HG22 VAL 37 2HG2 VAL 37 -5.503 -0.715 1.562
277 HG23 VAL 37 3HG2 VAL 37 -5.969 -0.116 3.157
278 H GLU 38 H GLU 38 -7.515 1.444 3.979
279 HA GLU 38 HA GLU 38 -7.012 2.607 6.490
280 HB2 GLU 38 2HB GLU 38 -7.924 -0.121 5.585
281 HB3 GLU 38 3HB GLU 38 -7.587 0.116 7.288
282 HG2 GLU 38 2HG GLU 38 -9.442 1.998 5.803
283 HG3 GLU 38 3HG GLU 38 -9.996 0.473 6.499
284 H SER 39 H SER 39 -5.944 1.899 8.319
285 HA SER 39 HA SER 39 -3.176 0.889 7.781
286 HB2 SER 39 2HB SER 39 -2.261 2.868 8.687
287 HB3 SER 39 3HB SER 39 -3.581 3.418 7.688
288 HG SER 39 HG SER 39 -4.855 3.702 9.481
289 HA PRO 40 HA PRO 40 -1.228 1.746 9.939
290 HB2 PRO 40 2HB PRO 40 0.461 0.007 11.119
291 HB3 PRO 40 3HB PRO 40 -0.518 1.187 12.040
292 HG2 PRO 40 2HG PRO 40 -1.171 -1.724 11.475
293 HG3 PRO 40 3HG PRO 40 -1.144 -0.893 13.070
294 HD2 PRO 40 2HD PRO 40 -3.456 -1.200 11.710
295 HD3 PRO 40 3HD PRO 40 -3.114 0.337 12.553
296 H ILE 41 H ILE 41 0.613 1.188 8.559
297 HA ILE 41 HA ILE 41 0.139 -1.198 6.840
298 HB ILE 41 HB ILE 41 -0.462 1.341 6.113
299 HG12 ILE 41 2HG1 ILE 41 -0.262 0.636 3.736
300 HG13 ILE 41 3HG1 ILE 41 0.600 -0.808 4.266
301 HG21 ILE 41 1HG2 ILE 41 1.970 2.038 6.243
302 HG22 ILE 41 2HG2 ILE 41 2.275 0.963 4.862
303 HG23 ILE 41 3HG2 ILE 41 1.170 2.337 4.699
304 HD11 ILE 41 1HD1 ILE 41 -1.866 -1.139 3.795
305 HD12 ILE 41 2HD1 ILE 41 -1.413 -1.605 5.441
306 HD13 ILE 41 3HD1 ILE 41 -2.224 -0.051 5.143
307 H SER 42 H SER 42 1.794 -2.226 5.816
308 HA SER 42 HA SER 42 4.479 -2.024 7.050
309 HB2 SER 42 2HB SER 42 3.295 -4.194 6.876
310 HB3 SER 42 3HB SER 42 3.331 -4.050 5.111
311 HG SER 42 HG SER 42 5.017 -5.316 6.156
312 H GLU 43 H GLU 43 6.419 -2.060 5.632
313 HA GLU 43 HA GLU 43 6.299 -0.243 3.386
314 HB2 GLU 43 2HB GLU 43 8.627 -0.707 3.101
315 HB3 GLU 43 3HB GLU 43 8.311 -0.504 4.820
316 HG2 GLU 43 2HG GLU 43 8.514 -2.852 5.258
317 HG3 GLU 43 3HG GLU 43 8.418 -3.245 3.557
318 H ASN 44 H ASN 44 5.561 -3.630 3.598
319 HA ASN 44 HA ASN 44 5.854 -4.058 0.686
320 HB2 ASN 44 2HB ASN 44 6.189 -5.691 3.230
321 HB3 ASN 44 3HB ASN 44 5.584 -6.455 1.802
322 HD21 ASN 44 1HD2 ASN 44 6.862 -6.391 -0.127
323 HD22 ASN 44 2HD2 ASN 44 8.548 -6.681 0.232
324 H GLY 45 H GLY 45 4.054 -4.811 -0.428
325 HA2 GLY 45 2HA GLY 45 1.661 -5.804 0.305
326 HA3 GLY 45 3HA GLY 45 1.434 -4.119 0.744
327 H TRP 46 H TRP 46 1.648 -2.488 -0.913
328 HA TRP 46 HA TRP 46 1.127 -1.517 -2.866
329 HB2 TRP 46 2HB TRP 46 2.549 -3.251 -4.107
330 HB3 TRP 46 3HB TRP 46 1.072 -4.149 -4.338
331 HD1 TRP 46 HD1 TRP 46 2.401 -0.601 -5.156
332 HE1 TRP 46 HE1 TRP 46 1.274 0.219 -7.305
333 HE3 TRP 46 HE3 TRP 46 -0.802 -4.519 -5.958
334 HZ2 TRP 46 HZ2 TRP 46 -0.684 -0.726 -9.178
335 HZ3 TRP 46 HZ3 TRP 46 -2.322 -4.505 -7.913
336 HH2 TRP 46 HH2 TRP 46 -2.276 -2.615 -9.533
337 H CYS 47 H CYS 47 -0.707 -0.872 -3.866
338 HA CYS 47 HA CYS 47 -3.238 -2.413 -3.558
339 HB2 CYS 47 2HB CYS 47 -4.353 -0.444 -2.750
340 HB3 CYS 47 3HB CYS 47 -2.854 -0.519 -1.803
341 H ARG 48 H ARG 48 -4.961 -1.541 -5.079
342 HA ARG 48 HA ARG 48 -3.755 -0.915 -7.712
343 HB2 ARG 48 2HB ARG 48 -6.646 -1.488 -6.963
344 HB3 ARG 48 3HB ARG 48 -6.040 -1.152 -8.593
345 HG2 ARG 48 2HG ARG 48 -4.469 -3.114 -8.343
346 HG3 ARG 48 3HG ARG 48 -5.302 -3.518 -6.836
347 HD2 ARG 48 2HD ARG 48 -6.252 -4.887 -8.531
348 HD3 ARG 48 3HD ARG 48 -7.454 -3.656 -8.169
349 HE ARG 48 HE ARG 48 -5.708 -3.867 -10.592
350 HH11 ARG 48 1HH1 ARG 48 -8.701 -2.511 -9.286
351 HH12 ARG 48 2HH1 ARG 48 -8.980 -1.595 -10.746
352 HH21 ARG 48 1HH2 ARG 48 -6.169 -2.625 -12.363
353 HH22 ARG 48 2HH2 ARG 48 -7.557 -1.577 -12.351
354 H LEU 49 H LEU 49 -2.899 1.125 -6.792
355 HA LEU 49 HA LEU 49 -4.720 3.292 -7.741
356 HB2 LEU 49 2HB LEU 49 -3.946 3.375 -5.224
357 HB3 LEU 49 3HB LEU 49 -2.394 3.841 -5.900
358 HG LEU 49 HG LEU 49 -3.742 5.708 -7.163
359 HD11 LEU 49 1HD1 LEU 49 -5.707 5.083 -4.911
360 HD12 LEU 49 2HD1 LEU 49 -5.797 6.434 -6.058
361 HD13 LEU 49 3HD1 LEU 49 -6.016 4.773 -6.625
362 HD21 LEU 49 1HD2 LEU 49 -2.183 6.153 -5.318
363 HD22 LEU 49 2HD2 LEU 49 -3.610 7.205 -5.224
364 HD23 LEU 49 3HD2 LEU 49 -3.465 5.803 -4.145
365 H TYR 50 H TYR 50 -3.817 4.822 -9.199
366 HA TYR 50 HA TYR 50 -1.267 3.984 -10.501
367 HB2 TYR 50 2HB TYR 50 -3.332 3.922 -11.834
368 HB3 TYR 50 3HB TYR 50 -3.529 5.655 -11.605
369 HD1 TYR 50 HD1 TYR 50 -0.814 3.237 -12.705
370 HD2 TYR 50 HD2 TYR 50 -2.856 6.967 -13.426
371 HE1 TYR 50 HE1 TYR 50 0.651 3.665 -14.672
372 HE2 TYR 50 HE2 TYR 50 -1.400 7.383 -15.399
373 HH TYR 50 HH TYR 50 0.307 6.586 -16.723
374 H ALA 51 H ALA 51 -0.256 5.015 -8.528
375 HA ALA 51 HA ALA 51 0.753 7.677 -9.301
376 HB1 ALA 51 1HB ALA 51 0.519 8.547 -7.008
377 HB2 ALA 51 2HB ALA 51 -1.068 8.130 -7.676
378 HB3 ALA 51 3HB ALA 51 -0.283 7.048 -6.501
379 H GLY 52 H GLY 52 2.846 8.201 -8.264
380 HA2 GLY 52 2HA GLY 52 4.376 6.436 -6.661
381 HA3 GLY 52 3HA GLY 52 4.673 6.020 -8.350
382 H LYS 53 H LYS 53 6.968 6.692 -7.563
383 HA LYS 53 HA LYS 53 7.522 9.544 -7.338
384 HB2 LYS 53 2HB LYS 53 9.279 7.071 -7.508
385 HB3 LYS 53 3HB LYS 53 9.933 8.679 -7.748
386 HG2 LYS 53 2HG LYS 53 10.368 8.116 -5.526
387 HG3 LYS 53 3HG LYS 53 9.130 9.378 -5.492
388 HD2 LYS 53 2HD LYS 53 7.394 7.771 -5.020
389 HD3 LYS 53 3HD LYS 53 8.489 6.420 -5.330
390 HE2 LYS 53 2HE LYS 53 8.603 8.323 -2.954
391 HE3 LYS 53 3HE LYS 53 8.090 6.632 -2.953
392 HZ1 LYS 53 1HZ LYS 53 10.451 6.186 -3.842
393 HZ2 LYS 53 2HZ LYS 53 10.804 7.691 -3.293
394 HZ3 LYS 53 3HZ LYS 53 10.285 6.549 -2.237
395 H ALA 54 H ALA 54 8.403 10.671 -8.671
396 HA ALA 54 HA ALA 54 9.054 10.059 -11.484
397 HB1 ALA 54 1HB ALA 54 6.833 12.052 -10.812
398 HB2 ALA 54 2HB ALA 54 7.488 11.723 -12.428
399 HB3 ALA 54 3HB ALA 54 6.593 10.460 -11.562
Start of MODEL 6
1 H1 VAL 1 1H VAL 1 -9.031 10.332 12.786
2 H2 VAL 1 2H VAL 1 -10.287 11.312 13.182
3 H3 VAL 1 3H VAL 1 -8.849 11.966 12.724
4 HA VAL 1 HA VAL 1 -10.493 12.135 10.982
5 HB VAL 1 HB VAL 1 -9.268 11.044 9.126
6 HG11 VAL 1 1HG1 VAL 1 -7.443 12.510 11.070
7 HG12 VAL 1 2HG1 VAL 1 -7.273 12.394 9.312
8 HG13 VAL 1 3HG1 VAL 1 -8.638 13.278 10.003
9 HG21 VAL 1 1HG2 VAL 1 -8.459 8.998 10.258
10 HG22 VAL 1 2HG2 VAL 1 -7.150 9.909 9.519
11 HG23 VAL 1 3HG2 VAL 1 -7.373 9.991 11.263
12 H THR 2 H THR 2 -11.813 11.156 9.437
13 HA THR 2 HA THR 2 -13.285 8.782 10.302
14 HB THR 2 HB THR 2 -13.404 10.462 7.771
15 HG1 THR 2 HG1 THR 2 -14.790 11.664 8.822
16 HG21 THR 2 1HG2 THR 2 -14.523 8.239 7.472
17 HG22 THR 2 2HG2 THR 2 -15.497 8.567 8.925
18 HG23 THR 2 3HG2 THR 2 -15.666 9.582 7.482
19 H LYS 3 H LYS 3 -13.244 6.720 9.359
20 HA LYS 3 HA LYS 3 -10.682 5.757 8.666
21 HB2 LYS 3 2HB LYS 3 -12.469 4.517 9.845
22 HB3 LYS 3 3HB LYS 3 -13.396 4.413 8.346
23 HG2 LYS 3 2HG LYS 3 -11.619 3.045 7.320
24 HG3 LYS 3 3HG LYS 3 -10.649 3.196 8.801
25 HD2 LYS 3 2HD LYS 3 -12.314 1.974 10.078
26 HD3 LYS 3 3HD LYS 3 -13.409 1.912 8.673
27 HE2 LYS 3 2HE LYS 3 -11.854 0.567 7.406
28 HE3 LYS 3 3HE LYS 3 -10.577 0.794 8.616
29 HZ1 LYS 3 1HZ LYS 3 -13.123 -0.623 9.208
30 HZ2 LYS 3 2HZ LYS 3 -11.697 -1.369 8.777
31 HZ3 LYS 3 3HZ LYS 3 -11.782 -0.519 10.157
32 H LYS 4 H LYS 4 -9.784 4.797 6.841
33 HA LYS 4 HA LYS 4 -10.518 6.013 4.258
34 HB2 LYS 4 2HB LYS 4 -8.233 4.129 5.011
35 HB3 LYS 4 3HB LYS 4 -8.392 4.966 3.466
36 HG2 LYS 4 2HG LYS 4 -8.691 6.911 5.484
37 HG3 LYS 4 3HG LYS 4 -7.283 5.943 5.936
38 HD2 LYS 4 2HD LYS 4 -6.469 7.804 4.735
39 HD3 LYS 4 3HD LYS 4 -6.396 6.467 3.566
40 HE2 LYS 4 2HE LYS 4 -8.473 7.205 2.532
41 HE3 LYS 4 3HE LYS 4 -8.787 8.346 3.841
42 HZ1 LYS 4 1HZ LYS 4 -6.949 9.706 3.115
43 HZ2 LYS 4 2HZ LYS 4 -6.531 8.649 1.939
44 HZ3 LYS 4 3HZ LYS 4 -7.955 9.430 1.846
45 H ALA 5 H ALA 5 -9.915 4.440 2.419
46 HA ALA 5 HA ALA 5 -12.097 2.549 2.064
47 HB1 ALA 5 1HB ALA 5 -11.090 3.788 0.183
48 HB2 ALA 5 2HB ALA 5 -9.560 2.905 0.414
49 HB3 ALA 5 3HB ALA 5 -11.026 2.038 -0.086
50 H SER 6 H SER 6 -12.106 0.278 2.001
51 HA SER 6 HA SER 6 -10.346 -0.960 3.894
52 HB2 SER 6 2HB SER 6 -11.726 -2.864 3.734
53 HB3 SER 6 3HB SER 6 -12.800 -1.472 3.552
54 HG SER 6 HG SER 6 -13.365 -2.797 1.905
55 H HIS 7 H HIS 7 -9.154 -2.946 3.606
56 HA HIS 7 HA HIS 7 -7.326 -3.106 1.390
57 HB2 HIS 7 2HB HIS 7 -8.102 -4.886 3.697
58 HB3 HIS 7 3HB HIS 7 -7.168 -5.582 2.378
59 HD2 HIS 7 HD2 HIS 7 -6.620 -3.687 5.536
60 HE1 HIS 7 HE1 HIS 7 -3.035 -3.192 3.290
61 HE2 HIS 7 HE2 HIS 7 -4.095 -2.919 5.591
62 H LYS 8 H LYS 8 -10.591 -4.262 1.651
63 HA LYS 8 HA LYS 8 -10.477 -6.169 -0.592
64 HB2 LYS 8 2HB LYS 8 -12.880 -4.804 0.688
65 HB3 LYS 8 3HB LYS 8 -12.912 -6.185 -0.367
66 HG2 LYS 8 2HG LYS 8 -11.668 -6.139 2.426
67 HG3 LYS 8 3HG LYS 8 -13.309 -6.642 2.048
68 HD2 LYS 8 2HD LYS 8 -12.462 -8.502 0.660
69 HD3 LYS 8 3HD LYS 8 -10.789 -7.996 0.995
70 HE2 LYS 8 2HE LYS 8 -11.122 -8.358 3.404
71 HE3 LYS 8 3HE LYS 8 -12.824 -8.772 3.127
72 HZ1 LYS 8 1HZ LYS 8 -12.124 -10.703 1.880
73 HZ2 LYS 8 2HZ LYS 8 -10.526 -10.308 2.067
74 HZ3 LYS 8 3HZ LYS 8 -11.429 -10.761 3.363
75 H ASP 9 H ASP 9 -11.943 -2.986 -0.048
76 HA ASP 9 HA ASP 9 -12.676 -2.304 -2.675
77 HB2 ASP 9 2HB ASP 9 -13.122 -1.097 -0.435
78 HB3 ASP 9 3HB ASP 9 -11.588 -0.299 -0.697
79 H ALA 10 H ALA 10 -9.591 -1.555 -1.008
80 HA ALA 10 HA ALA 10 -8.326 -0.441 -3.328
81 HB1 ALA 10 1HB ALA 10 -7.122 -1.392 -0.696
82 HB2 ALA 10 2HB ALA 10 -6.410 -0.234 -1.844
83 HB3 ALA 10 3HB ALA 10 -7.879 0.194 -0.959
84 H GLY 11 H GLY 11 -8.952 -3.700 -2.748
85 HA2 GLY 11 2HA GLY 11 -8.255 -5.617 -3.789
86 HA3 GLY 11 3HA GLY 11 -7.642 -4.568 -5.068
87 H TYR 12 H TYR 12 -6.573 -4.940 -1.683
88 HA TYR 12 HA TYR 12 -3.840 -4.660 -2.216
89 HB2 TYR 12 2HB TYR 12 -4.747 -4.225 -0.068
90 HB3 TYR 12 3HB TYR 12 -5.405 -5.845 0.082
91 HD1 TYR 12 HD1 TYR 12 -2.331 -3.802 0.376
92 HD2 TYR 12 HD2 TYR 12 -4.049 -7.744 0.723
93 HE1 TYR 12 HE1 TYR 12 -0.396 -4.529 1.753
94 HE2 TYR 12 HE2 TYR 12 -2.107 -8.480 2.061
95 HH TYR 12 HH TYR 12 -0.254 -7.815 3.196
96 H GLN 13 H GLN 13 -2.102 -5.951 -2.404
97 HA GLN 13 HA GLN 13 -2.357 -8.841 -1.952
98 HB2 GLN 13 2HB GLN 13 -0.708 -9.368 -3.775
99 HB3 GLN 13 3HB GLN 13 -2.318 -8.945 -4.332
100 HG2 GLN 13 2HG GLN 13 -1.598 -6.695 -4.904
101 HG3 GLN 13 3HG GLN 13 0.046 -7.024 -4.318
102 HE21 GLN 13 1HE2 GLN 13 1.325 -6.947 -5.963
103 HE22 GLN 13 2HE2 GLN 13 1.050 -7.809 -7.459
104 H GLU 14 H GLU 14 -0.595 -9.767 -1.018
105 HA GLU 14 HA GLU 14 1.156 -7.978 0.471
106 HB2 GLU 14 2HB GLU 14 1.896 -10.048 1.557
107 HB3 GLU 14 3HB GLU 14 0.137 -9.893 1.493
108 HG2 GLU 14 2HG GLU 14 0.070 -11.464 -0.450
109 HG3 GLU 14 3HG GLU 14 1.830 -11.626 -0.361
110 H SER 15 H SER 15 1.508 -9.331 -2.612
111 HA SER 15 HA SER 15 4.457 -9.170 -2.460
112 HB2 SER 15 2HB SER 15 4.289 -10.352 -4.774
113 HB3 SER 15 3HB SER 15 4.229 -11.213 -3.249
114 HG SER 15 HG SER 15 2.526 -12.004 -4.289
115 HA PRO 16 HA PRO 16 4.703 -5.597 -5.017
116 HB2 PRO 16 2HB PRO 16 6.969 -7.017 -6.378
117 HB3 PRO 16 3HB PRO 16 6.926 -5.358 -5.704
118 HG2 PRO 16 2HG PRO 16 8.168 -7.378 -4.361
119 HG3 PRO 16 3HG PRO 16 7.168 -6.177 -3.482
120 HD2 PRO 16 2HD PRO 16 6.405 -9.004 -4.299
121 HD3 PRO 16 3HD PRO 16 6.121 -8.112 -2.789
122 H ASN 17 H ASN 17 4.000 -4.866 -6.923
123 HA ASN 17 HA ASN 17 3.291 -6.743 -9.152
124 HB2 ASN 17 2HB ASN 17 1.420 -5.445 -8.461
125 HB3 ASN 17 3HB ASN 17 2.360 -3.990 -8.308
126 HD21 ASN 17 1HD2 ASN 17 1.097 -2.738 -9.784
127 HD22 ASN 17 2HD2 ASN 17 1.026 -3.127 -11.487
128 H GLY 18 H GLY 18 5.456 -7.098 -9.818
129 HA2 GLY 18 2HA GLY 18 7.491 -6.669 -10.820
130 HA3 GLY 18 3HA GLY 18 6.845 -5.132 -11.411
131 H ALA 19 H ALA 19 8.021 -3.509 -10.682
132 HA ALA 19 HA ALA 19 9.477 -3.474 -8.162
133 HB1 ALA 19 1HB ALA 19 8.881 -1.262 -10.177
134 HB2 ALA 19 2HB ALA 19 10.081 -1.189 -8.870
135 HB3 ALA 19 3HB ALA 19 10.291 -2.347 -10.196
136 H LYS 20 H LYS 20 6.144 -2.729 -8.884
137 HA LYS 20 HA LYS 20 5.925 -0.432 -7.098
138 HB2 LYS 20 2HB LYS 20 3.778 -1.990 -8.599
139 HB3 LYS 20 3HB LYS 20 3.544 -0.519 -7.675
140 HG2 LYS 20 2HG LYS 20 3.667 0.349 -9.755
141 HG3 LYS 20 3HG LYS 20 5.343 0.538 -9.232
142 HD2 LYS 20 2HD LYS 20 5.986 -1.428 -10.603
143 HD3 LYS 20 3HD LYS 20 4.276 -1.685 -11.037
144 HE2 LYS 20 2HE LYS 20 4.196 0.571 -12.055
145 HE3 LYS 20 3HE LYS 20 5.890 0.842 -11.618
146 HZ1 LYS 20 1HZ LYS 20 5.641 0.167 -13.898
147 HZ2 LYS 20 2HZ LYS 20 6.514 -0.962 -13.096
148 HZ3 LYS 20 3HZ LYS 20 4.939 -1.263 -13.497
149 H ARG 21 H ARG 21 5.723 -0.505 -5.008
150 HA ARG 21 HA ARG 21 3.700 -2.106 -3.659
151 HB2 ARG 21 2HB ARG 21 5.017 -3.491 -2.362
152 HB3 ARG 21 3HB ARG 21 5.970 -3.494 -3.824
153 HG2 ARG 21 2HG ARG 21 7.415 -1.667 -2.801
154 HG3 ARG 21 3HG ARG 21 6.442 -1.854 -1.317
155 HD2 ARG 21 2HD ARG 21 7.050 -4.314 -1.350
156 HD3 ARG 21 3HD ARG 21 8.263 -3.924 -2.573
157 HE ARG 21 HE ARG 21 8.154 -3.028 0.275
158 HH11 ARG 21 1HH1 ARG 21 9.989 -2.769 -2.761
159 HH12 ARG 21 2HH1 ARG 21 11.392 -2.177 -1.879
160 HH21 ARG 21 1HH2 ARG 21 10.186 -2.662 1.228
161 HH22 ARG 21 2HH2 ARG 21 11.499 -2.145 0.166
162 H CYS 22 H CYS 22 3.601 -1.347 -1.214
163 HA CYS 22 HA CYS 22 3.514 1.387 -0.860
164 HB2 CYS 22 2HB CYS 22 4.114 -0.829 1.142
165 HB3 CYS 22 3HB CYS 22 3.658 0.832 1.584
166 H GLY 23 H GLY 23 6.395 -0.587 0.121
167 HA2 GLY 23 2HA GLY 23 8.151 1.493 0.811
168 HA3 GLY 23 3HA GLY 23 8.623 -0.086 0.195
169 H THR 24 H THR 24 6.946 1.050 -2.390
170 HA THR 24 HA THR 24 9.017 2.930 -3.410
171 HB THR 24 HB THR 24 8.817 1.958 -5.651
172 HG1 THR 24 HG1 THR 24 7.931 -0.183 -5.744
173 HG21 THR 24 1HG2 THR 24 10.147 -0.011 -5.323
174 HG22 THR 24 2HG2 THR 24 10.601 1.152 -4.068
175 HG23 THR 24 3HG2 THR 24 9.555 -0.221 -3.658
176 H CYS 25 H CYS 25 6.041 2.966 -2.314
177 HA CYS 25 HA CYS 25 4.672 4.404 -4.509
178 HB2 CYS 25 2HB CYS 25 3.533 2.618 -3.156
179 HB3 CYS 25 3HB CYS 25 3.698 3.630 -1.726
180 H ARG 26 H ARG 26 4.171 6.496 -4.526
181 HA ARG 26 HA ARG 26 5.485 8.472 -2.861
182 HB2 ARG 26 2HB ARG 26 4.830 8.853 -5.199
183 HB3 ARG 26 3HB ARG 26 3.119 8.682 -4.782
184 HG2 ARG 26 2HG ARG 26 3.205 10.698 -3.404
185 HG3 ARG 26 3HG ARG 26 4.956 10.813 -3.617
186 HD2 ARG 26 2HD ARG 26 4.605 11.208 -6.057
187 HD3 ARG 26 3HD ARG 26 2.850 11.135 -5.789
188 HE ARG 26 HE ARG 26 4.056 12.995 -3.962
189 HH11 ARG 26 1HH1 ARG 26 3.328 13.022 -7.443
190 HH12 ARG 26 2HH1 ARG 26 3.065 14.743 -7.382
191 HH21 ARG 26 1HH2 ARG 26 3.867 15.033 -4.046
192 HH22 ARG 26 2HH2 ARG 26 3.476 15.914 -5.512
193 H GLN 27 H GLN 27 2.553 6.635 -2.431
194 HA GLN 27 HA GLN 27 1.275 8.607 -0.700
195 HB2 GLN 27 2HB GLN 27 0.466 5.736 -1.254
196 HB3 GLN 27 3HB GLN 27 -0.566 7.024 -0.665
197 HG2 GLN 27 2HG GLN 27 0.646 6.779 -3.451
198 HG3 GLN 27 3HG GLN 27 -1.023 6.549 -2.999
199 HE21 GLN 27 1HE2 GLN 27 -2.286 8.248 -3.634
200 HE22 GLN 27 2HE2 GLN 27 -1.755 9.932 -3.670
201 H PHE 28 H PHE 28 3.375 5.902 -0.102
202 HA PHE 28 HA PHE 28 2.271 4.803 2.162
203 HB2 PHE 28 2HB PHE 28 4.003 3.775 0.857
204 HB3 PHE 28 3HB PHE 28 5.166 5.012 1.311
205 HD1 PHE 28 HD1 PHE 28 2.770 3.006 3.456
206 HD2 PHE 28 HD2 PHE 28 6.873 3.890 2.444
207 HE1 PHE 28 HE1 PHE 28 3.552 1.648 5.384
208 HE2 PHE 28 HE2 PHE 28 7.634 2.477 4.335
209 HZ PHE 28 HZ PHE 28 5.966 1.369 5.810
210 H ARG 29 H ARG 29 4.487 7.593 2.180
211 HA ARG 29 HA ARG 29 5.119 9.053 3.903
212 HB2 ARG 29 2HB ARG 29 2.162 8.638 4.195
213 HB3 ARG 29 3HB ARG 29 2.992 9.602 5.407
214 HG2 ARG 29 2HG ARG 29 1.935 10.849 3.480
215 HG3 ARG 29 3HG ARG 29 3.588 11.277 3.915
216 HD2 ARG 29 2HD ARG 29 4.491 10.135 1.986
217 HD3 ARG 29 3HD ARG 29 2.937 9.375 1.642
218 HE ARG 29 HE ARG 29 2.383 11.171 0.373
219 HH11 ARG 29 1HH1 ARG 29 4.874 12.483 2.549
220 HH12 ARG 29 2HH1 ARG 29 4.504 14.106 1.996
221 HH21 ARG 29 1HH2 ARG 29 2.281 13.099 -0.403
222 HH22 ARG 29 2HH2 ARG 29 3.312 14.401 0.180
223 HA PRO 30 HA PRO 30 5.884 5.245 6.414
224 HB2 PRO 30 2HB PRO 30 8.649 5.572 6.704
225 HB3 PRO 30 3HB PRO 30 7.836 4.754 5.340
226 HG2 PRO 30 2HG PRO 30 8.754 7.637 5.515
227 HG3 PRO 30 3HG PRO 30 9.040 6.464 4.187
228 HD2 PRO 30 2HD PRO 30 7.076 8.252 3.997
229 HD3 PRO 30 3HD PRO 30 6.758 6.559 3.508
230 HA PRO 31 HA PRO 31 7.488 4.087 8.025
231 HB2 PRO 31 2HB PRO 31 7.180 2.956 10.458
232 HB3 PRO 31 3HB PRO 31 8.490 4.120 10.103
233 HG2 PRO 31 2HG PRO 31 5.775 4.723 11.348
234 HG3 PRO 31 3HG PRO 31 7.395 5.121 12.012
235 HD2 PRO 31 2HD PRO 31 6.029 6.953 10.553
236 HD3 PRO 31 3HD PRO 31 7.787 6.753 10.341
237 H SER 32 H SER 32 4.222 5.078 8.889
238 HA SER 32 HA SER 32 3.202 2.428 8.026
239 HB2 SER 32 2HB SER 32 3.880 2.535 10.520
240 HB3 SER 32 3HB SER 32 2.476 3.577 10.730
241 HG SER 32 HG SER 32 2.394 0.986 9.523
242 H SER 33 H SER 33 2.636 5.278 6.937
243 HA SER 33 HA SER 33 -0.090 5.758 7.917
244 HB2 SER 33 2HB SER 33 1.324 7.368 5.799
245 HB3 SER 33 3HB SER 33 -0.045 7.826 6.815
246 HG SER 33 HG SER 33 2.671 7.584 7.417
247 H CYS 34 H CYS 34 1.203 5.407 4.607
248 HA CYS 34 HA CYS 34 0.220 5.604 2.598
249 HB2 CYS 34 2HB CYS 34 -0.697 3.374 2.971
250 HB3 CYS 34 3HB CYS 34 -2.153 4.088 3.687
251 H ILE 35 H ILE 35 -1.700 6.582 1.433
252 HA ILE 35 HA ILE 35 -3.308 8.410 3.109
253 HB ILE 35 HB ILE 35 -3.268 10.273 1.648
254 HG12 ILE 35 2HG1 ILE 35 -0.932 9.151 0.084
255 HG13 ILE 35 3HG1 ILE 35 -2.597 8.940 -0.474
256 HG21 ILE 35 1HG2 ILE 35 -0.437 9.535 2.482
257 HG22 ILE 35 2HG2 ILE 35 -1.073 11.171 2.230
258 HG23 ILE 35 3HG2 ILE 35 -1.706 10.179 3.543
259 HD11 ILE 35 1HD1 ILE 35 -1.222 11.617 0.028
260 HD12 ILE 35 2HD1 ILE 35 -1.622 10.908 -1.540
261 HD13 ILE 35 3HD1 ILE 35 -2.923 11.406 -0.447
262 H THR 36 H THR 36 -3.544 5.779 1.427
263 HA THR 36 HA THR 36 -6.280 6.513 0.486
264 HB THR 36 HB THR 36 -5.335 4.335 -1.139
265 HG1 THR 36 HG1 THR 36 -3.273 5.061 -1.129
266 HG21 THR 36 1HG2 THR 36 -5.970 5.932 -2.934
267 HG22 THR 36 2HG2 THR 36 -7.188 5.876 -1.654
268 HG23 THR 36 3HG2 THR 36 -6.048 7.239 -1.742
269 H VAL 37 H VAL 37 -4.405 4.048 2.161
270 HA VAL 37 HA VAL 37 -6.829 2.296 2.220
271 HB VAL 37 HB VAL 37 -3.906 1.502 2.460
272 HG11 VAL 37 1HG1 VAL 37 -6.440 -0.171 2.110
273 HG12 VAL 37 2HG1 VAL 37 -4.786 -0.789 1.915
274 HG13 VAL 37 3HG1 VAL 37 -5.301 -0.214 3.485
275 HG21 VAL 37 1HG2 VAL 37 -4.271 2.311 0.199
276 HG22 VAL 37 2HG2 VAL 37 -4.261 0.563 0.144
277 HG23 VAL 37 3HG2 VAL 37 -5.813 1.427 0.077
278 H GLU 38 H GLU 38 -7.346 1.066 4.024
279 HA GLU 38 HA GLU 38 -7.309 2.230 6.567
280 HB2 GLU 38 2HB GLU 38 -8.088 0.007 7.382
281 HB3 GLU 38 3HB GLU 38 -9.016 0.652 6.037
282 HG2 GLU 38 2HG GLU 38 -8.141 -0.878 4.480
283 HG3 GLU 38 3HG GLU 38 -6.818 -1.319 5.532
284 H SER 39 H SER 39 -5.849 2.516 8.036
285 HA SER 39 HA SER 39 -3.247 1.162 7.914
286 HB2 SER 39 2HB SER 39 -2.528 3.179 9.194
287 HB3 SER 39 3HB SER 39 -3.403 3.578 7.722
288 HG SER 39 HG SER 39 -4.210 4.804 9.383
289 HA PRO 40 HA PRO 40 -1.292 1.839 10.006
290 HB2 PRO 40 2HB PRO 40 0.252 -0.157 11.095
291 HB3 PRO 40 3HB PRO 40 -0.443 1.219 12.002
292 HG2 PRO 40 2HG PRO 40 -1.588 -1.573 11.672
293 HG3 PRO 40 3HG PRO 40 -1.337 -0.655 13.199
294 HD2 PRO 40 2HD PRO 40 -3.748 -0.659 12.062
295 HD3 PRO 40 3HD PRO 40 -3.081 0.888 12.636
296 H ILE 41 H ILE 41 0.300 1.434 8.567
297 HA ILE 41 HA ILE 41 -0.098 -0.796 6.607
298 HB ILE 41 HB ILE 41 0.988 1.999 6.129
299 HG12 ILE 41 2HG1 ILE 41 -1.390 2.185 6.682
300 HG13 ILE 41 3HG1 ILE 41 -1.070 2.562 5.020
301 HG21 ILE 41 1HG2 ILE 41 0.273 -0.210 4.159
302 HG22 ILE 41 2HG2 ILE 41 0.586 1.466 3.700
303 HG23 ILE 41 3HG2 ILE 41 1.864 0.504 4.422
304 HD11 ILE 41 1HD1 ILE 41 -1.977 0.399 4.276
305 HD12 ILE 41 2HD1 ILE 41 -2.256 -0.071 5.969
306 HD13 ILE 41 3HD1 ILE 41 -3.139 1.292 5.255
307 H SER 42 H SER 42 1.867 -1.565 5.512
308 HA SER 42 HA SER 42 4.412 -1.091 6.999
309 HB2 SER 42 2HB SER 42 3.282 -3.284 7.617
310 HB3 SER 42 3HB SER 42 3.599 -3.816 5.952
311 HG SER 42 HG SER 42 5.226 -4.356 7.554
312 H GLU 43 H GLU 43 6.382 -1.558 5.698
313 HA GLU 43 HA GLU 43 6.122 -0.368 3.104
314 HB2 GLU 43 2HB GLU 43 8.507 -0.508 2.963
315 HB3 GLU 43 3HB GLU 43 8.029 0.006 4.567
316 HG2 GLU 43 2HG GLU 43 9.364 -1.556 5.430
317 HG3 GLU 43 3HG GLU 43 8.280 -2.799 4.818
318 H ASN 44 H ASN 44 5.634 -3.585 3.936
319 HA ASN 44 HA ASN 44 6.105 -4.582 1.175
320 HB2 ASN 44 2HB ASN 44 5.583 -6.823 2.155
321 HB3 ASN 44 3HB ASN 44 7.027 -6.063 2.800
322 HD21 ASN 44 1HD2 ASN 44 7.224 -5.795 4.900
323 HD22 ASN 44 2HD2 ASN 44 6.039 -6.476 5.993
324 H GLY 45 H GLY 45 4.479 -5.587 0.002
325 HA2 GLY 45 2HA GLY 45 2.250 -6.085 -0.594
326 HA3 GLY 45 3HA GLY 45 1.628 -5.076 0.703
327 H TRP 46 H TRP 46 0.540 -4.959 -1.776
328 HA TRP 46 HA TRP 46 1.121 -2.216 -2.783
329 HB2 TRP 46 2HB TRP 46 2.303 -3.742 -4.319
330 HB3 TRP 46 3HB TRP 46 0.906 -4.779 -4.411
331 HD1 TRP 46 HD1 TRP 46 2.301 -1.579 -5.889
332 HE1 TRP 46 HE1 TRP 46 0.976 -0.976 -8.029
333 HE3 TRP 46 HE3 TRP 46 -1.702 -4.683 -5.304
334 HZ2 TRP 46 HZ2 TRP 46 -1.343 -1.939 -9.422
335 HZ3 TRP 46 HZ3 TRP 46 -3.425 -4.886 -7.077
336 HH2 TRP 46 HH2 TRP 46 -3.245 -3.522 -9.152
337 H CYS 47 H CYS 47 -0.736 -1.163 -3.625
338 HA CYS 47 HA CYS 47 -3.308 -2.669 -3.545
339 HB2 CYS 47 2HB CYS 47 -4.401 -0.868 -2.503
340 HB3 CYS 47 3HB CYS 47 -2.868 -0.946 -1.616
341 H ARG 48 H ARG 48 -4.968 -1.788 -4.914
342 HA ARG 48 HA ARG 48 -4.043 -1.113 -7.575
343 HB2 ARG 48 2HB ARG 48 -6.855 -1.196 -6.383
344 HB3 ARG 48 3HB ARG 48 -6.490 -1.022 -8.103
345 HG2 ARG 48 2HG ARG 48 -5.334 -3.205 -8.112
346 HG3 ARG 48 3HG ARG 48 -5.699 -3.420 -6.390
347 HD2 ARG 48 2HD ARG 48 -8.126 -3.353 -6.910
348 HD3 ARG 48 3HD ARG 48 -7.742 -3.148 -8.629
349 HE ARG 48 HE ARG 48 -6.459 -5.514 -7.505
350 HH11 ARG 48 1HH1 ARG 48 -9.653 -4.532 -8.668
351 HH12 ARG 48 2HH1 ARG 48 -9.889 -6.138 -9.360
352 HH21 ARG 48 1HH2 ARG 48 -6.963 -7.469 -8.396
353 HH22 ARG 48 2HH2 ARG 48 -8.547 -7.664 -9.156
354 H LEU 49 H LEU 49 -4.172 0.901 -4.971
355 HA LEU 49 HA LEU 49 -4.891 3.341 -6.531
356 HB2 LEU 49 2HB LEU 49 -4.865 2.744 -3.549
357 HB3 LEU 49 3HB LEU 49 -4.899 4.365 -4.183
358 HG LEU 49 HG LEU 49 -7.080 3.679 -3.473
359 HD11 LEU 49 1HD1 LEU 49 -7.048 3.917 -6.507
360 HD12 LEU 49 2HD1 LEU 49 -8.385 4.308 -5.412
361 HD13 LEU 49 3HD1 LEU 49 -6.901 5.269 -5.360
362 HD21 LEU 49 1HD2 LEU 49 -6.854 1.227 -3.973
363 HD22 LEU 49 2HD2 LEU 49 -8.404 1.967 -4.428
364 HD23 LEU 49 3HD2 LEU 49 -7.205 1.606 -5.679
365 H TYR 50 H TYR 50 -2.181 1.579 -5.551
366 HA TYR 50 HA TYR 50 -0.139 3.093 -4.766
367 HB2 TYR 50 2HB TYR 50 0.176 0.826 -5.524
368 HB3 TYR 50 3HB TYR 50 -0.278 1.234 -7.172
369 HD1 TYR 50 HD1 TYR 50 1.290 2.391 -8.698
370 HD2 TYR 50 HD2 TYR 50 2.435 1.330 -4.685
371 HE1 TYR 50 HE1 TYR 50 3.645 3.059 -9.188
372 HE2 TYR 50 HE2 TYR 50 4.795 1.923 -5.204
373 HH TYR 50 HH TYR 50 6.181 2.996 -6.682
374 H ALA 51 H ALA 51 1.169 4.763 -5.361
375 HA ALA 51 HA ALA 51 0.836 5.957 -8.078
376 HB1 ALA 51 1HB ALA 51 -0.440 7.269 -6.382
377 HB2 ALA 51 2HB ALA 51 1.091 7.562 -5.522
378 HB3 ALA 51 3HB ALA 51 0.867 8.177 -7.167
379 H GLY 52 H GLY 52 2.663 6.147 -9.185
380 HA2 GLY 52 2HA GLY 52 5.272 5.725 -8.126
381 HA3 GLY 52 3HA GLY 52 4.861 6.304 -9.735
382 H LYS 53 H LYS 53 6.998 7.428 -8.953
383 HA LYS 53 HA LYS 53 6.783 9.659 -7.142
384 HB2 LYS 53 2HB LYS 53 8.926 8.329 -8.752
385 HB3 LYS 53 3HB LYS 53 9.166 10.028 -8.310
386 HG2 LYS 53 2HG LYS 53 10.233 8.778 -6.637
387 HG3 LYS 53 3HG LYS 53 8.740 9.357 -5.908
388 HD2 LYS 53 2HD LYS 53 8.947 7.100 -5.227
389 HD3 LYS 53 3HD LYS 53 7.718 7.106 -6.507
390 HE2 LYS 53 2HE LYS 53 9.316 6.292 -8.140
391 HE3 LYS 53 3HE LYS 53 10.635 6.395 -6.972
392 HZ1 LYS 53 1HZ LYS 53 8.356 4.718 -6.222
393 HZ2 LYS 53 2HZ LYS 53 9.311 4.159 -7.416
394 HZ3 LYS 53 3HZ LYS 53 9.977 4.484 -5.971
395 H ALA 54 H ALA 54 6.497 11.510 -7.481
396 HA ALA 54 HA ALA 54 5.492 13.413 -8.203
397 HB1 ALA 54 1HB ALA 54 7.312 13.114 -10.598
398 HB2 ALA 54 2HB ALA 54 6.471 14.594 -10.077
399 HB3 ALA 54 3HB ALA 54 7.711 13.865 -9.041
Start of MODEL 7
1 H1 VAL 1 1H VAL 1 -9.168 6.677 16.119
2 H2 VAL 1 2H VAL 1 -10.604 7.498 16.082
3 H3 VAL 1 3H VAL 1 -9.184 8.304 16.025
4 HA VAL 1 HA VAL 1 -10.206 8.289 13.884
5 HB VAL 1 HB VAL 1 -7.736 8.314 14.120
6 HG11 VAL 1 1HG1 VAL 1 -7.806 5.360 13.378
7 HG12 VAL 1 2HG1 VAL 1 -6.379 6.392 13.569
8 HG13 VAL 1 3HG1 VAL 1 -7.362 5.991 14.976
9 HG21 VAL 1 1HG2 VAL 1 -8.783 8.675 11.942
10 HG22 VAL 1 2HG2 VAL 1 -7.243 7.835 11.775
11 HG23 VAL 1 3HG2 VAL 1 -8.749 6.927 11.614
12 H THR 2 H THR 2 -11.379 7.280 12.335
13 HA THR 2 HA THR 2 -12.130 4.435 12.790
14 HB THR 2 HB THR 2 -13.882 6.190 12.473
15 HG1 THR 2 HG1 THR 2 -15.083 4.822 11.168
16 HG21 THR 2 1HG2 THR 2 -12.829 7.434 10.544
17 HG22 THR 2 2HG2 THR 2 -13.131 6.011 9.522
18 HG23 THR 2 3HG2 THR 2 -14.486 6.898 10.242
19 H LYS 3 H LYS 3 -12.203 2.912 10.998
20 HA LYS 3 HA LYS 3 -9.665 2.814 9.647
21 HB2 LYS 3 2HB LYS 3 -11.161 0.908 10.593
22 HB3 LYS 3 3HB LYS 3 -11.997 0.979 9.036
23 HG2 LYS 3 2HG LYS 3 -9.801 0.547 7.889
24 HG3 LYS 3 3HG LYS 3 -9.006 0.529 9.478
25 HD2 LYS 3 2HD LYS 3 -10.392 -1.418 10.140
26 HD3 LYS 3 3HD LYS 3 -11.157 -1.403 8.535
27 HE2 LYS 3 2HE LYS 3 -8.898 -1.722 7.493
28 HE3 LYS 3 3HE LYS 3 -8.180 -1.807 9.112
29 HZ1 LYS 3 1HZ LYS 3 -10.251 -3.645 8.049
30 HZ2 LYS 3 2HZ LYS 3 -8.672 -4.044 8.213
31 HZ3 LYS 3 3HZ LYS 3 -9.619 -3.762 9.537
32 H LYS 4 H LYS 4 -9.179 2.674 7.460
33 HA LYS 4 HA LYS 4 -10.880 4.160 5.520
34 HB2 LYS 4 2HB LYS 4 -8.095 2.910 5.232
35 HB3 LYS 4 3HB LYS 4 -8.930 3.886 4.015
36 HG2 LYS 4 2HG LYS 4 -9.186 5.550 6.104
37 HG3 LYS 4 3HG LYS 4 -7.681 4.752 6.576
38 HD2 LYS 4 2HD LYS 4 -7.030 6.670 5.422
39 HD3 LYS 4 3HD LYS 4 -6.821 5.391 4.207
40 HE2 LYS 4 2HE LYS 4 -8.942 5.979 3.169
41 HE3 LYS 4 3HE LYS 4 -9.387 7.019 4.531
42 HZ1 LYS 4 1HZ LYS 4 -7.237 7.614 2.594
43 HZ2 LYS 4 2HZ LYS 4 -8.667 8.404 2.777
44 HZ3 LYS 4 3HZ LYS 4 -7.543 8.475 3.969
45 H ALA 5 H ALA 5 -10.290 2.887 3.227
46 HA ALA 5 HA ALA 5 -12.068 0.589 3.166
47 HB1 ALA 5 1HB ALA 5 -10.076 1.566 1.086
48 HB2 ALA 5 2HB ALA 5 -11.371 0.381 0.825
49 HB3 ALA 5 3HB ALA 5 -11.782 2.066 1.208
50 H SER 6 H SER 6 -11.588 -1.565 3.320
51 HA SER 6 HA SER 6 -8.990 -2.389 4.353
52 HB2 SER 6 2HB SER 6 -9.833 -4.572 4.508
53 HB3 SER 6 3HB SER 6 -11.184 -3.516 4.925
54 HG SER 6 HG SER 6 -12.214 -4.121 3.140
55 H HIS 7 H HIS 7 -7.601 -4.046 3.350
56 HA HIS 7 HA HIS 7 -6.848 -3.403 0.660
57 HB2 HIS 7 2HB HIS 7 -5.374 -5.315 0.802
58 HB3 HIS 7 3HB HIS 7 -5.290 -4.385 2.291
59 HD2 HIS 7 HD2 HIS 7 -6.366 -5.526 4.503
60 HE1 HIS 7 HE1 HIS 7 -6.997 -9.413 2.876
61 HE2 HIS 7 HE2 HIS 7 -7.011 -8.020 5.009
62 H LYS 8 H LYS 8 -8.856 -6.023 1.903
63 HA LYS 8 HA LYS 8 -9.478 -7.407 -0.492
64 HB2 LYS 8 2HB LYS 8 -10.020 -8.046 1.930
65 HB3 LYS 8 3HB LYS 8 -11.358 -6.904 1.842
66 HG2 LYS 8 2HG LYS 8 -12.430 -8.825 1.270
67 HG3 LYS 8 3HG LYS 8 -12.020 -8.262 -0.344
68 HD2 LYS 8 2HD LYS 8 -9.902 -9.710 -0.180
69 HD3 LYS 8 3HD LYS 8 -10.581 -10.400 1.294
70 HE2 LYS 8 2HE LYS 8 -11.774 -10.510 -1.514
71 HE3 LYS 8 3HE LYS 8 -10.994 -11.833 -0.642
72 HZ1 LYS 8 1HZ LYS 8 -13.566 -10.532 0.017
73 HZ2 LYS 8 2HZ LYS 8 -13.340 -12.092 -0.420
74 HZ3 LYS 8 3HZ LYS 8 -12.807 -11.572 1.056
75 H ASP 9 H ASP 9 -11.350 -4.752 1.010
76 HA ASP 9 HA ASP 9 -13.222 -4.460 -1.123
77 HB2 ASP 9 2HB ASP 9 -12.332 -2.696 1.181
78 HB3 ASP 9 3HB ASP 9 -13.705 -2.368 0.162
79 H ALA 10 H ALA 10 -10.036 -2.961 -0.576
80 HA ALA 10 HA ALA 10 -10.200 -1.115 -2.804
81 HB1 ALA 10 1HB ALA 10 -7.804 -2.228 -1.304
82 HB2 ALA 10 2HB ALA 10 -7.826 -0.799 -2.360
83 HB3 ALA 10 3HB ALA 10 -8.748 -0.790 -0.848
84 H GLY 11 H GLY 11 -10.006 -4.509 -2.824
85 HA2 GLY 11 2HA GLY 11 -9.826 -5.949 -4.618
86 HA3 GLY 11 3HA GLY 11 -9.451 -4.593 -5.687
87 H TYR 12 H TYR 12 -7.678 -5.535 -2.722
88 HA TYR 12 HA TYR 12 -5.150 -5.399 -4.024
89 HB2 TYR 12 2HB TYR 12 -5.502 -4.878 -1.669
90 HB3 TYR 12 3HB TYR 12 -5.959 -6.553 -1.342
91 HD1 TYR 12 HD1 TYR 12 -3.072 -4.873 -3.136
92 HD2 TYR 12 HD2 TYR 12 -4.338 -7.609 -0.042
93 HE1 TYR 12 HE1 TYR 12 -0.715 -5.460 -2.683
94 HE2 TYR 12 HE2 TYR 12 -1.952 -8.092 0.489
95 HH TYR 12 HH TYR 12 0.716 -6.548 -1.317
96 H GLN 13 H GLN 13 -3.519 -7.014 -4.126
97 HA GLN 13 HA GLN 13 -4.485 -9.535 -5.349
98 HB2 GLN 13 2HB GLN 13 -2.001 -9.469 -6.225
99 HB3 GLN 13 3HB GLN 13 -3.297 -8.578 -6.984
100 HG2 GLN 13 2HG GLN 13 -2.522 -6.478 -5.869
101 HG3 GLN 13 3HG GLN 13 -1.187 -7.380 -5.136
102 HE21 GLN 13 1HE2 GLN 13 0.648 -6.750 -6.054
103 HE22 GLN 13 2HE2 GLN 13 0.806 -6.544 -7.769
104 H GLU 14 H GLU 14 -2.799 -11.375 -5.237
105 HA GLU 14 HA GLU 14 -2.530 -12.058 -2.406
106 HB2 GLU 14 2HB GLU 14 -1.919 -14.236 -3.177
107 HB3 GLU 14 3HB GLU 14 -3.374 -13.632 -3.976
108 HG2 GLU 14 2HG GLU 14 -2.269 -13.319 -6.054
109 HG3 GLU 14 3HG GLU 14 -0.671 -13.442 -5.329
110 H SER 15 H SER 15 -0.439 -10.437 -4.491
111 HA SER 15 HA SER 15 1.697 -10.589 -2.521
112 HB2 SER 15 2HB SER 15 3.379 -10.998 -4.582
113 HB3 SER 15 3HB SER 15 2.765 -12.283 -3.551
114 HG SER 15 HG SER 15 1.687 -13.088 -5.116
115 HA PRO 16 HA PRO 16 2.551 -6.437 -3.920
116 HB2 PRO 16 2HB PRO 16 5.471 -7.144 -3.884
117 HB3 PRO 16 3HB PRO 16 4.638 -5.751 -3.123
118 HG2 PRO 16 2HG PRO 16 5.417 -7.869 -1.612
119 HG3 PRO 16 3HG PRO 16 3.801 -7.125 -1.355
120 HD2 PRO 16 2HD PRO 16 4.488 -9.620 -2.941
121 HD3 PRO 16 3HD PRO 16 3.202 -9.362 -1.724
122 H ASN 17 H ASN 17 3.488 -5.171 -5.727
123 HA ASN 17 HA ASN 17 3.534 -6.749 -8.239
124 HB2 ASN 17 2HB ASN 17 1.877 -5.050 -8.120
125 HB3 ASN 17 3HB ASN 17 2.981 -3.884 -7.496
126 HD21 ASN 17 1HD2 ASN 17 1.739 -2.750 -9.288
127 HD22 ASN 17 2HD2 ASN 17 2.503 -2.759 -10.873
128 H GLY 18 H GLY 18 5.685 -7.496 -7.142
129 HA2 GLY 18 2HA GLY 18 7.970 -7.691 -7.384
130 HA3 GLY 18 3HA GLY 18 7.757 -6.829 -8.904
131 H ALA 19 H ALA 19 8.729 -4.940 -9.102
132 HA ALA 19 HA ALA 19 10.233 -3.726 -6.946
133 HB1 ALA 19 1HB ALA 19 11.059 -3.933 -9.265
134 HB2 ALA 19 2HB ALA 19 9.779 -2.830 -9.824
135 HB3 ALA 19 3HB ALA 19 11.045 -2.254 -8.718
136 H LYS 20 H LYS 20 6.952 -3.343 -7.731
137 HA LYS 20 HA LYS 20 6.824 -0.583 -6.594
138 HB2 LYS 20 2HB LYS 20 4.668 -2.122 -8.087
139 HB3 LYS 20 3HB LYS 20 4.607 -0.465 -7.509
140 HG2 LYS 20 2HG LYS 20 5.153 0.037 -9.619
141 HG3 LYS 20 3HG LYS 20 6.806 -0.229 -9.054
142 HD2 LYS 20 2HD LYS 20 6.768 -2.517 -10.001
143 HD3 LYS 20 3HD LYS 20 5.053 -2.312 -10.429
144 HE2 LYS 20 2HE LYS 20 5.603 -0.479 -11.951
145 HE3 LYS 20 3HE LYS 20 7.313 -0.570 -11.505
146 HZ1 LYS 20 1HZ LYS 20 6.719 -1.698 -13.599
147 HZ2 LYS 20 2HZ LYS 20 7.482 -2.695 -12.551
148 HZ3 LYS 20 3HZ LYS 20 5.837 -2.814 -12.788
149 H ARG 21 H ARG 21 6.286 -0.383 -4.587
150 HA ARG 21 HA ARG 21 4.090 -1.691 -3.360
151 HB2 ARG 21 2HB ARG 21 4.981 -3.054 -1.720
152 HB3 ARG 21 3HB ARG 21 6.058 -3.413 -3.060
153 HG2 ARG 21 2HG ARG 21 7.666 -1.660 -2.059
154 HG3 ARG 21 3HG ARG 21 6.579 -1.634 -0.646
155 HD2 ARG 21 2HD ARG 21 6.904 -4.182 -0.552
156 HD3 ARG 21 3HD ARG 21 8.208 -3.961 -1.727
157 HE ARG 21 HE ARG 21 8.393 -2.225 0.635
158 HH11 ARG 21 1HH1 ARG 21 9.044 -5.591 -0.235
159 HH12 ARG 21 2HH1 ARG 21 10.363 -5.642 0.934
160 HH21 ARG 21 1HH2 ARG 21 10.265 -2.357 1.758
161 HH22 ARG 21 2HH2 ARG 21 11.021 -3.928 1.990
162 H CYS 22 H CYS 22 3.704 -0.859 -1.123
163 HA CYS 22 HA CYS 22 3.557 1.732 -0.703
164 HB2 CYS 22 2HB CYS 22 4.146 -0.444 1.363
165 HB3 CYS 22 3HB CYS 22 3.323 1.108 1.664
166 H GLY 23 H GLY 23 6.495 0.070 0.729
167 HA2 GLY 23 2HA GLY 23 7.816 2.351 1.595
168 HA3 GLY 23 3HA GLY 23 8.592 0.867 1.079
169 H THR 24 H THR 24 7.387 1.553 -1.768
170 HA THR 24 HA THR 24 9.227 3.727 -2.592
171 HB THR 24 HB THR 24 10.368 1.652 -3.041
172 HG1 THR 24 HG1 THR 24 10.894 3.165 -4.466
173 HG21 THR 24 1HG2 THR 24 9.578 0.112 -4.745
174 HG22 THR 24 2HG2 THR 24 8.464 0.168 -3.379
175 HG23 THR 24 3HG2 THR 24 8.047 1.019 -4.884
176 H CYS 25 H CYS 25 6.364 3.648 -1.972
177 HA CYS 25 HA CYS 25 4.895 3.999 -4.457
178 HB2 CYS 25 2HB CYS 25 3.895 3.110 -2.423
179 HB3 CYS 25 3HB CYS 25 4.305 4.557 -1.521
180 H ARG 26 H ARG 26 3.412 6.098 -4.364
181 HA ARG 26 HA ARG 26 5.103 8.387 -5.014
182 HB2 ARG 26 2HB ARG 26 3.386 9.305 -5.980
183 HB3 ARG 26 3HB ARG 26 2.629 7.738 -5.894
184 HG2 ARG 26 2HG ARG 26 2.131 9.851 -3.730
185 HG3 ARG 26 3HG ARG 26 1.380 9.955 -5.294
186 HD2 ARG 26 2HD ARG 26 -0.208 8.970 -3.877
187 HD3 ARG 26 3HD ARG 26 0.330 7.749 -5.007
188 HE ARG 26 HE ARG 26 1.333 6.522 -3.249
189 HH11 ARG 26 1HH1 ARG 26 0.028 9.524 -1.854
190 HH12 ARG 26 2HH1 ARG 26 -0.006 8.764 -0.269
191 HH21 ARG 26 1HH2 ARG 26 1.375 5.806 -1.230
192 HH22 ARG 26 2HH2 ARG 26 0.768 6.796 0.079
193 H GLN 27 H GLN 27 3.781 7.202 -2.071
194 HA GLN 27 HA GLN 27 5.320 9.244 -0.653
195 HB2 GLN 27 2HB GLN 27 2.885 10.107 -0.973
196 HB3 GLN 27 3HB GLN 27 2.424 8.799 0.115
197 HG2 GLN 27 2HG GLN 27 3.883 9.786 1.884
198 HG3 GLN 27 3HG GLN 27 4.258 11.123 0.782
199 HE21 GLN 27 1HE2 GLN 27 2.200 12.325 -0.105
200 HE22 GLN 27 2HE2 GLN 27 0.896 12.512 1.065
201 H PHE 28 H PHE 28 5.930 8.476 1.454
202 HA PHE 28 HA PHE 28 4.778 5.859 2.343
203 HB2 PHE 28 2HB PHE 28 7.077 5.561 1.466
204 HB3 PHE 28 3HB PHE 28 7.663 6.746 2.634
205 HD1 PHE 28 HD1 PHE 28 5.510 3.643 2.613
206 HD2 PHE 28 HD2 PHE 28 8.645 5.855 4.581
207 HE1 PHE 28 HE1 PHE 28 5.683 1.872 4.333
208 HE2 PHE 28 HE2 PHE 28 8.820 4.064 6.300
209 HZ PHE 28 HZ PHE 28 7.325 2.078 6.184
210 H ARG 29 H ARG 29 5.957 9.054 3.266
211 HA ARG 29 HA ARG 29 5.915 10.229 5.217
212 HB2 ARG 29 2HB ARG 29 3.603 10.381 4.299
213 HB3 ARG 29 3HB ARG 29 3.117 9.094 5.387
214 HG2 ARG 29 2HG ARG 29 2.483 11.134 6.437
215 HG3 ARG 29 3HG ARG 29 3.882 10.566 7.326
216 HD2 ARG 29 2HD ARG 29 4.210 12.868 7.104
217 HD3 ARG 29 3HD ARG 29 5.297 12.185 5.918
218 HE ARG 29 HE ARG 29 2.770 13.689 5.462
219 HH11 ARG 29 1HH1 ARG 29 5.646 12.350 3.847
220 HH12 ARG 29 2HH1 ARG 29 5.088 13.023 2.322
221 HH21 ARG 29 1HH2 ARG 29 2.329 14.526 3.422
222 HH22 ARG 29 2HH2 ARG 29 3.406 14.093 2.102
223 HA PRO 30 HA PRO 30 7.118 6.398 7.442
224 HB2 PRO 30 2HB PRO 30 9.511 7.272 8.528
225 HB3 PRO 30 3HB PRO 30 9.320 6.707 6.841
226 HG2 PRO 30 2HG PRO 30 9.213 9.568 7.867
227 HG3 PRO 30 3HG PRO 30 10.195 8.927 6.510
228 HD2 PRO 30 2HD PRO 30 7.863 10.131 6.048
229 HD3 PRO 30 3HD PRO 30 8.267 8.638 5.139
230 HA PRO 31 HA PRO 31 8.293 5.262 9.231
231 HB2 PRO 31 2HB PRO 31 7.540 3.682 11.298
232 HB3 PRO 31 3HB PRO 31 8.723 5.009 11.495
233 HG2 PRO 31 2HG PRO 31 5.739 5.107 12.053
234 HG3 PRO 31 3HG PRO 31 7.079 5.560 13.160
235 HD2 PRO 31 2HD PRO 31 5.778 7.414 11.647
236 HD3 PRO 31 3HD PRO 31 7.541 7.511 11.913
237 H SER 32 H SER 32 4.791 5.758 9.484
238 HA SER 32 HA SER 32 4.227 3.220 8.063
239 HB2 SER 32 2HB SER 32 3.028 2.271 9.999
240 HB3 SER 32 3HB SER 32 4.730 2.543 10.383
241 HG SER 32 HG SER 32 2.541 4.226 11.007
242 H SER 33 H SER 33 3.306 5.588 6.910
243 HA SER 33 HA SER 33 0.370 5.465 7.566
244 HB2 SER 33 2HB SER 33 1.994 7.934 6.917
245 HB3 SER 33 3HB SER 33 0.222 7.860 6.948
246 HG SER 33 HG SER 33 2.062 7.533 9.073
247 H CYS 34 H CYS 34 -1.109 5.443 5.943
248 HA CYS 34 HA CYS 34 -0.300 6.287 3.227
249 HB2 CYS 34 2HB CYS 34 -0.101 3.862 3.113
250 HB3 CYS 34 3HB CYS 34 -1.736 3.661 3.771
251 H ILE 35 H ILE 35 -1.952 7.005 1.936
252 HA ILE 35 HA ILE 35 -4.421 7.958 3.313
253 HB ILE 35 HB ILE 35 -4.608 9.636 1.625
254 HG12 ILE 35 2HG1 ILE 35 -2.054 8.482 0.419
255 HG13 ILE 35 3HG1 ILE 35 -3.662 8.420 -0.286
256 HG21 ILE 35 1HG2 ILE 35 -1.806 9.662 2.809
257 HG22 ILE 35 2HG2 ILE 35 -2.794 11.057 2.340
258 HG23 ILE 35 3HG2 ILE 35 -3.296 10.045 3.695
259 HD11 ILE 35 1HD1 ILE 35 -1.997 10.897 0.166
260 HD12 ILE 35 2HD1 ILE 35 -2.499 10.178 -1.378
261 HD13 ILE 35 3HD1 ILE 35 -3.718 10.915 -0.311
262 H THR 36 H THR 36 -3.434 5.559 1.129
263 HA THR 36 HA THR 36 -5.821 5.740 -0.613
264 HB THR 36 HB THR 36 -3.400 3.910 -0.768
265 HG1 THR 36 HG1 THR 36 -2.444 5.381 -1.846
266 HG21 THR 36 1HG2 THR 36 -5.523 4.703 -2.811
267 HG22 THR 36 2HG2 THR 36 -3.983 3.912 -3.224
268 HG23 THR 36 3HG2 THR 36 -5.147 3.073 -2.193
269 H VAL 37 H VAL 37 -4.461 3.578 1.859
270 HA VAL 37 HA VAL 37 -6.926 1.928 1.827
271 HB VAL 37 HB VAL 37 -5.031 1.101 0.223
272 HG11 VAL 37 1HG1 VAL 37 -3.927 -0.080 2.803
273 HG12 VAL 37 2HG1 VAL 37 -3.364 -0.357 1.145
274 HG13 VAL 37 3HG1 VAL 37 -3.179 1.244 1.884
275 HG21 VAL 37 1HG2 VAL 37 -7.082 -0.149 0.778
276 HG22 VAL 37 2HG2 VAL 37 -5.666 -1.172 0.480
277 HG23 VAL 37 3HG2 VAL 37 -6.233 -0.906 2.134
278 H GLU 38 H GLU 38 -6.773 0.226 3.646
279 HA GLU 38 HA GLU 38 -6.726 1.242 6.138
280 HB2 GLU 38 2HB GLU 38 -6.286 -1.132 6.944
281 HB3 GLU 38 3HB GLU 38 -7.610 -0.911 5.807
282 HG2 GLU 38 2HG GLU 38 -6.406 -1.923 4.049
283 HG3 GLU 38 3HG GLU 38 -4.860 -1.732 4.891
284 H SER 39 H SER 39 -5.466 2.130 7.462
285 HA SER 39 HA SER 39 -2.519 1.789 7.483
286 HB2 SER 39 2HB SER 39 -3.042 3.561 5.938
287 HB3 SER 39 3HB SER 39 -4.079 4.334 7.140
288 HG SER 39 HG SER 39 -2.420 5.229 8.000
289 HA PRO 40 HA PRO 40 -0.759 3.265 9.310
290 HB2 PRO 40 2HB PRO 40 -0.257 1.228 11.485
291 HB3 PRO 40 3HB PRO 40 0.645 2.731 11.128
292 HG2 PRO 40 2HG PRO 40 -1.153 2.722 13.126
293 HG3 PRO 40 3HG PRO 40 -1.159 4.089 11.958
294 HD2 PRO 40 2HD PRO 40 -2.937 1.628 11.982
295 HD3 PRO 40 3HD PRO 40 -3.386 3.346 11.794
296 H ILE 41 H ILE 41 0.895 2.283 8.235
297 HA ILE 41 HA ILE 41 0.282 -0.363 7.000
298 HB ILE 41 HB ILE 41 -0.044 1.822 5.729
299 HG12 ILE 41 2HG1 ILE 41 1.820 -0.152 4.370
300 HG13 ILE 41 3HG1 ILE 41 0.105 -0.447 4.699
301 HG21 ILE 41 1HG2 ILE 41 2.988 1.763 5.417
302 HG22 ILE 41 2HG2 ILE 41 1.854 2.958 4.769
303 HG23 ILE 41 3HG2 ILE 41 2.125 2.857 6.503
304 HD11 ILE 41 1HD1 ILE 41 -0.529 1.486 3.324
305 HD12 ILE 41 2HD1 ILE 41 1.191 1.794 2.950
306 HD13 ILE 41 3HD1 ILE 41 0.419 0.305 2.414
307 H SER 42 H SER 42 2.202 -1.509 5.995
308 HA SER 42 HA SER 42 4.608 -1.398 7.751
309 HB2 SER 42 2HB SER 42 4.998 -3.632 7.177
310 HB3 SER 42 3HB SER 42 3.245 -3.550 7.358
311 HG SER 42 HG SER 42 3.755 -4.649 5.486
312 H GLU 43 H GLU 43 6.655 -2.255 6.253
313 HA GLU 43 HA GLU 43 7.294 -0.221 4.310
314 HB2 GLU 43 2HB GLU 43 9.281 -1.572 3.916
315 HB3 GLU 43 3HB GLU 43 8.970 -1.422 5.638
316 HG2 GLU 43 2HG GLU 43 8.011 -3.735 5.647
317 HG3 GLU 43 3HG GLU 43 8.349 -3.828 3.937
318 H ASN 44 H ASN 44 5.154 -2.806 4.035
319 HA ASN 44 HA ASN 44 5.753 -3.430 1.190
320 HB2 ASN 44 2HB ASN 44 6.711 -4.938 3.033
321 HB3 ASN 44 3HB ASN 44 5.058 -5.371 3.441
322 HD21 ASN 44 1HD2 ASN 44 6.106 -7.384 3.205
323 HD22 ASN 44 2HD2 ASN 44 5.880 -8.142 1.636
324 H GLY 45 H GLY 45 3.947 -4.837 0.248
325 HA2 GLY 45 2HA GLY 45 1.469 -5.282 0.561
326 HA3 GLY 45 3HA GLY 45 1.289 -3.557 0.844
327 H TRP 46 H TRP 46 1.872 -2.101 -0.890
328 HA TRP 46 HA TRP 46 1.578 -1.256 -2.982
329 HB2 TRP 46 2HB TRP 46 2.776 -3.301 -4.033
330 HB3 TRP 46 3HB TRP 46 1.188 -3.989 -4.196
331 HD1 TRP 46 HD1 TRP 46 3.010 -0.749 -5.337
332 HE1 TRP 46 HE1 TRP 46 2.082 -0.045 -7.615
333 HE3 TRP 46 HE3 TRP 46 -0.644 -4.295 -5.827
334 HZ2 TRP 46 HZ2 TRP 46 0.024 -0.940 -9.445
335 HZ3 TRP 46 HZ3 TRP 46 -2.074 -4.351 -7.862
336 HH2 TRP 46 HH2 TRP 46 -1.756 -2.679 -9.655
337 H CYS 47 H CYS 47 -0.214 -0.701 -4.297
338 HA CYS 47 HA CYS 47 -2.758 -2.097 -4.030
339 HB2 CYS 47 2HB CYS 47 -3.996 -0.331 -3.052
340 HB3 CYS 47 3HB CYS 47 -2.540 -0.413 -2.055
341 H ARG 48 H ARG 48 -4.416 -1.037 -5.526
342 HA ARG 48 HA ARG 48 -3.079 -0.694 -8.092
343 HB2 ARG 48 2HB ARG 48 -6.036 -0.829 -7.380
344 HB3 ARG 48 3HB ARG 48 -5.373 -0.852 -9.024
345 HG2 ARG 48 2HG ARG 48 -4.061 -2.889 -8.472
346 HG3 ARG 48 3HG ARG 48 -4.790 -2.924 -6.857
347 HD2 ARG 48 2HD ARG 48 -7.030 -3.140 -7.876
348 HD3 ARG 48 3HD ARG 48 -6.307 -3.148 -9.488
349 HE ARG 48 HE ARG 48 -6.379 -5.326 -7.529
350 HH11 ARG 48 1HH1 ARG 48 -4.664 -4.219 -10.423
351 HH12 ARG 48 2HH1 ARG 48 -4.033 -5.811 -10.746
352 HH21 ARG 48 1HH2 ARG 48 -5.663 -7.323 -8.114
353 HH22 ARG 48 2HH2 ARG 48 -4.695 -7.535 -9.556
354 H LEU 49 H LEU 49 -4.019 1.611 -5.902
355 HA LEU 49 HA LEU 49 -4.319 3.942 -6.060
356 HB2 LEU 49 2HB LEU 49 -2.054 3.223 -5.541
357 HB3 LEU 49 3HB LEU 49 -1.654 3.119 -7.253
358 HG LEU 49 HG LEU 49 -1.933 5.617 -7.428
359 HD11 LEU 49 1HD1 LEU 49 -2.184 5.464 -4.397
360 HD12 LEU 49 2HD1 LEU 49 -1.950 6.947 -5.347
361 HD13 LEU 49 3HD1 LEU 49 -3.444 6.018 -5.517
362 HD21 LEU 49 1HD2 LEU 49 0.262 4.461 -7.000
363 HD22 LEU 49 2HD2 LEU 49 0.176 6.132 -6.430
364 HD23 LEU 49 3HD2 LEU 49 0.033 4.781 -5.272
365 H TYR 50 H TYR 50 -5.938 4.731 -7.438
366 HA TYR 50 HA TYR 50 -5.312 4.995 -10.302
367 HB2 TYR 50 2HB TYR 50 -7.841 5.672 -8.811
368 HB3 TYR 50 3HB TYR 50 -7.645 5.574 -10.560
369 HD1 TYR 50 HD1 TYR 50 -6.420 3.196 -11.303
370 HD2 TYR 50 HD2 TYR 50 -8.853 3.806 -7.792
371 HE1 TYR 50 HE1 TYR 50 -6.863 0.752 -11.179
372 HE2 TYR 50 HE2 TYR 50 -9.266 1.363 -7.655
373 HH TYR 50 HH TYR 50 -8.779 -0.692 -8.523
374 H ALA 51 H ALA 51 -4.644 6.968 -7.720
375 HA ALA 51 HA ALA 51 -4.779 9.554 -9.067
376 HB1 ALA 51 1HB ALA 51 -3.327 8.648 -6.543
377 HB2 ALA 51 2HB ALA 51 -3.615 10.327 -7.044
378 HB3 ALA 51 3HB ALA 51 -4.981 9.292 -6.610
379 H GLY 52 H GLY 52 -2.635 10.883 -9.100
380 HA2 GLY 52 2HA GLY 52 -0.813 9.779 -10.990
381 HA3 GLY 52 3HA GLY 52 -0.663 11.328 -10.170
382 H LYS 53 H LYS 53 1.405 9.375 -10.833
383 HA LYS 53 HA LYS 53 2.376 8.377 -8.210
384 HB2 LYS 53 2HB LYS 53 2.919 7.445 -11.063
385 HB3 LYS 53 3HB LYS 53 3.873 6.911 -9.701
386 HG2 LYS 53 2HG LYS 53 2.417 5.186 -9.810
387 HG3 LYS 53 3HG LYS 53 1.636 6.197 -8.587
388 HD2 LYS 53 2HD LYS 53 0.223 7.175 -10.396
389 HD3 LYS 53 3HD LYS 53 0.994 6.095 -11.561
390 HE2 LYS 53 2HE LYS 53 0.059 4.139 -10.376
391 HE3 LYS 53 3HE LYS 53 -0.571 5.197 -9.098
392 HZ1 LYS 53 1HZ LYS 53 -1.909 6.306 -10.814
393 HZ2 LYS 53 2HZ LYS 53 -1.430 5.152 -11.923
394 HZ3 LYS 53 3HZ LYS 53 -2.329 4.743 -10.595
395 H ALA 54 H ALA 54 4.834 7.977 -8.689
396 HA ALA 54 HA ALA 54 6.271 10.481 -9.305
397 HB1 ALA 54 1HB ALA 54 6.567 9.132 -6.593
398 HB2 ALA 54 2HB ALA 54 7.397 10.593 -7.158
399 HB3 ALA 54 3HB ALA 54 5.649 10.633 -6.889
Start of MODEL 8
1 H1 VAL 1 1H VAL 1 -10.869 14.376 3.116
2 H2 VAL 1 2H VAL 1 -12.239 14.890 3.880
3 H3 VAL 1 3H VAL 1 -11.248 15.976 3.166
4 HA VAL 1 HA VAL 1 -13.163 15.698 1.833
5 HB VAL 1 HB VAL 1 -10.879 14.288 0.424
6 HG11 VAL 1 1HG1 VAL 1 -13.136 16.075 -0.579
7 HG12 VAL 1 2HG1 VAL 1 -11.802 15.446 -1.566
8 HG13 VAL 1 3HG1 VAL 1 -12.968 14.328 -0.868
9 HG21 VAL 1 1HG2 VAL 1 -9.964 16.341 1.448
10 HG22 VAL 1 2HG2 VAL 1 -10.134 16.535 -0.292
11 HG23 VAL 1 3HG2 VAL 1 -11.323 17.284 0.784
12 H THR 2 H THR 2 -11.499 12.444 2.091
13 HA THR 2 HA THR 2 -14.186 11.196 1.876
14 HB THR 2 HB THR 2 -13.143 11.700 -0.384
15 HG1 THR 2 HG1 THR 2 -13.985 9.897 -1.193
16 HG21 THR 2 1HG2 THR 2 -11.597 10.152 -1.353
17 HG22 THR 2 2HG2 THR 2 -10.830 10.848 0.082
18 HG23 THR 2 3HG2 THR 2 -11.503 9.200 0.139
19 H LYS 3 H LYS 3 -14.432 9.176 2.673
20 HA LYS 3 HA LYS 3 -12.771 8.088 4.644
21 HB2 LYS 3 2HB LYS 3 -15.198 7.545 4.198
22 HB3 LYS 3 3HB LYS 3 -14.658 6.549 2.840
23 HG2 LYS 3 2HG LYS 3 -13.168 5.375 4.724
24 HG3 LYS 3 3HG LYS 3 -14.339 6.104 5.813
25 HD2 LYS 3 2HD LYS 3 -16.161 4.957 4.657
26 HD3 LYS 3 3HD LYS 3 -15.040 4.286 3.463
27 HE2 LYS 3 2HE LYS 3 -14.853 3.751 6.462
28 HE3 LYS 3 3HE LYS 3 -15.736 2.704 5.348
29 HZ1 LYS 3 1HZ LYS 3 -13.460 1.943 5.800
30 HZ2 LYS 3 2HZ LYS 3 -13.689 2.216 4.189
31 HZ3 LYS 3 3HZ LYS 3 -12.836 3.291 5.080
32 H LYS 4 H LYS 4 -11.040 6.868 4.693
33 HA LYS 4 HA LYS 4 -9.518 5.995 2.422
34 HB2 LYS 4 2HB LYS 4 -9.422 5.062 5.319
35 HB3 LYS 4 3HB LYS 4 -8.199 4.726 4.081
36 HG2 LYS 4 2HG LYS 4 -7.915 7.215 3.783
37 HG3 LYS 4 3HG LYS 4 -9.053 7.464 5.087
38 HD2 LYS 4 2HD LYS 4 -6.871 7.694 6.050
39 HD3 LYS 4 3HD LYS 4 -7.559 6.181 6.635
40 HE2 LYS 4 2HE LYS 4 -6.270 4.980 4.820
41 HE3 LYS 4 3HE LYS 4 -5.537 6.530 4.379
42 HZ1 LYS 4 1HZ LYS 4 -4.582 6.631 6.609
43 HZ2 LYS 4 2HZ LYS 4 -5.298 5.210 7.030
44 HZ3 LYS 4 3HZ LYS 4 -4.125 5.263 5.851
45 H ALA 5 H ALA 5 -9.090 4.003 1.690
46 HA ALA 5 HA ALA 5 -11.437 2.240 1.441
47 HB1 ALA 5 1HB ALA 5 -8.689 2.158 0.135
48 HB2 ALA 5 2HB ALA 5 -10.062 1.110 -0.283
49 HB3 ALA 5 3HB ALA 5 -10.171 2.861 -0.555
50 H SER 6 H SER 6 -11.747 0.298 2.403
51 HA SER 6 HA SER 6 -9.873 -0.817 4.308
52 HB2 SER 6 2HB SER 6 -11.340 -2.593 4.570
53 HB3 SER 6 3HB SER 6 -12.378 -1.200 4.276
54 HG SER 6 HG SER 6 -12.926 -1.990 2.320
55 H HIS 7 H HIS 7 -8.885 -3.010 4.106
56 HA HIS 7 HA HIS 7 -7.078 -3.052 1.880
57 HB2 HIS 7 2HB HIS 7 -7.737 -5.146 3.983
58 HB3 HIS 7 3HB HIS 7 -6.456 -5.325 2.792
59 HD2 HIS 7 HD2 HIS 7 -6.697 -1.766 4.142
60 HE1 HIS 7 HE1 HIS 7 -3.526 -3.627 6.267
61 HE2 HIS 7 HE2 HIS 7 -4.677 -1.404 5.757
62 H LYS 8 H LYS 8 -10.183 -4.625 2.264
63 HA LYS 8 HA LYS 8 -10.107 -6.216 -0.141
64 HB2 LYS 8 2HB LYS 8 -11.735 -6.464 1.789
65 HB3 LYS 8 3HB LYS 8 -12.528 -4.993 1.225
66 HG2 LYS 8 2HG LYS 8 -13.773 -6.681 0.246
67 HG3 LYS 8 3HG LYS 8 -12.723 -6.205 -1.075
68 HD2 LYS 8 2HD LYS 8 -11.169 -8.133 -0.404
69 HD3 LYS 8 3HD LYS 8 -12.416 -8.633 0.753
70 HE2 LYS 8 2HE LYS 8 -14.042 -8.832 -1.151
71 HE3 LYS 8 3HE LYS 8 -12.749 -8.367 -2.270
72 HZ1 LYS 8 1HZ LYS 8 -12.853 -10.809 -0.591
73 HZ2 LYS 8 2HZ LYS 8 -12.809 -10.722 -2.249
74 HZ3 LYS 8 3HZ LYS 8 -11.496 -10.354 -1.332
75 H ASP 9 H ASP 9 -11.638 -3.045 0.471
76 HA ASP 9 HA ASP 9 -12.455 -2.483 -2.148
77 HB2 ASP 9 2HB ASP 9 -11.724 -0.704 0.217
78 HB3 ASP 9 3HB ASP 9 -12.582 -0.173 -1.208
79 H ALA 10 H ALA 10 -9.325 -1.863 -0.649
80 HA ALA 10 HA ALA 10 -8.275 -0.315 -2.899
81 HB1 ALA 10 1HB ALA 10 -7.614 0.030 -0.532
82 HB2 ALA 10 2HB ALA 10 -6.947 -1.613 -0.474
83 HB3 ALA 10 3HB ALA 10 -6.222 -0.396 -1.545
84 H GLY 11 H GLY 11 -8.741 -3.690 -2.407
85 HA2 GLY 11 2HA GLY 11 -7.968 -5.571 -3.466
86 HA3 GLY 11 3HA GLY 11 -7.223 -4.540 -4.695
87 H TYR 12 H TYR 12 -6.427 -4.420 -1.213
88 HA TYR 12 HA TYR 12 -3.631 -4.277 -1.843
89 HB2 TYR 12 2HB TYR 12 -4.908 -3.071 -0.013
90 HB3 TYR 12 3HB TYR 12 -4.926 -4.581 0.886
91 HD1 TYR 12 HD1 TYR 12 -2.756 -1.910 -0.549
92 HD2 TYR 12 HD2 TYR 12 -2.943 -5.302 2.117
93 HE1 TYR 12 HE1 TYR 12 -0.581 -1.260 0.430
94 HE2 TYR 12 HE2 TYR 12 -0.743 -4.652 3.080
95 HH TYR 12 HH TYR 12 1.008 -1.725 1.994
96 H GLN 13 H GLN 13 -1.892 -5.589 -1.179
97 HA GLN 13 HA GLN 13 -2.525 -8.454 -0.704
98 HB2 GLN 13 2HB GLN 13 -0.726 -8.937 -2.480
99 HB3 GLN 13 3HB GLN 13 -2.352 -8.550 -2.964
100 HG2 GLN 13 2HG GLN 13 -1.573 -6.164 -3.471
101 HG3 GLN 13 3HG GLN 13 0.066 -6.709 -3.092
102 HE21 GLN 13 1HE2 GLN 13 1.213 -7.130 -4.717
103 HE22 GLN 13 2HE2 GLN 13 0.649 -7.749 -6.251
104 H GLU 14 H GLU 14 -0.857 -9.833 -0.086
105 HA GLU 14 HA GLU 14 0.663 -8.710 2.062
106 HB2 GLU 14 2HB GLU 14 1.301 -10.889 2.600
107 HB3 GLU 14 3HB GLU 14 -0.364 -10.975 2.034
108 HG2 GLU 14 2HG GLU 14 0.440 -11.810 -0.180
109 HG3 GLU 14 3HG GLU 14 2.103 -11.752 0.421
110 H SER 15 H SER 15 1.498 -8.956 -1.241
111 HA SER 15 HA SER 15 4.095 -7.835 -0.706
112 HB2 SER 15 2HB SER 15 5.009 -9.728 -2.486
113 HB3 SER 15 3HB SER 15 5.334 -9.669 -0.760
114 HG SER 15 HG SER 15 4.265 -11.382 -0.479
115 HA PRO 16 HA PRO 16 3.136 -5.595 -4.245
116 HB2 PRO 16 2HB PRO 16 5.593 -4.848 -5.258
117 HB3 PRO 16 3HB PRO 16 4.921 -4.261 -3.699
118 HG2 PRO 16 2HG PRO 16 6.872 -6.536 -4.192
119 HG3 PRO 16 3HG PRO 16 7.011 -5.193 -3.005
120 HD2 PRO 16 2HD PRO 16 6.079 -7.610 -2.261
121 HD3 PRO 16 3HD PRO 16 5.311 -6.120 -1.637
122 H ASN 17 H ASN 17 3.205 -5.281 -6.616
123 HA ASN 17 HA ASN 17 3.420 -7.817 -8.056
124 HB2 ASN 17 2HB ASN 17 2.087 -6.921 -9.669
125 HB3 ASN 17 3HB ASN 17 1.395 -6.350 -8.161
126 HD21 ASN 17 1HD2 ASN 17 0.899 -5.215 -10.675
127 HD22 ASN 17 2HD2 ASN 17 1.564 -3.601 -10.603
128 H GLY 18 H GLY 18 5.822 -7.102 -7.257
129 HA2 GLY 18 2HA GLY 18 8.006 -7.035 -8.068
130 HA3 GLY 18 3HA GLY 18 7.389 -6.776 -9.695
131 H ALA 19 H ALA 19 7.063 -4.655 -10.454
132 HA ALA 19 HA ALA 19 9.039 -2.844 -9.540
133 HB1 ALA 19 1HB ALA 19 8.425 -3.107 -11.882
134 HB2 ALA 19 2HB ALA 19 6.796 -2.465 -11.566
135 HB3 ALA 19 3HB ALA 19 8.219 -1.421 -11.391
136 H LYS 20 H LYS 20 5.510 -2.780 -8.881
137 HA LYS 20 HA LYS 20 5.820 -0.068 -7.659
138 HB2 LYS 20 2HB LYS 20 3.215 -1.504 -8.200
139 HB3 LYS 20 3HB LYS 20 3.471 0.174 -7.743
140 HG2 LYS 20 2HG LYS 20 3.145 0.543 -9.955
141 HG3 LYS 20 3HG LYS 20 4.876 0.194 -10.057
142 HD2 LYS 20 2HD LYS 20 4.269 -2.223 -10.537
143 HD3 LYS 20 3HD LYS 20 2.564 -1.749 -10.506
144 HE2 LYS 20 2HE LYS 20 2.983 -0.185 -12.395
145 HE3 LYS 20 3HE LYS 20 4.679 -0.691 -12.433
146 HZ1 LYS 20 1HZ LYS 20 2.328 -2.440 -12.899
147 HZ2 LYS 20 2HZ LYS 20 3.373 -1.922 -14.054
148 HZ3 LYS 20 3HZ LYS 20 3.884 -2.980 -12.887
149 H ARG 21 H ARG 21 5.672 0.258 -5.544
150 HA ARG 21 HA ARG 21 4.740 -1.847 -3.659
151 HB2 ARG 21 2HB ARG 21 6.873 -2.636 -3.595
152 HB3 ARG 21 3HB ARG 21 7.578 -1.181 -4.276
153 HG2 ARG 21 2HG ARG 21 7.553 -0.054 -2.136
154 HG3 ARG 21 3HG ARG 21 6.713 -1.408 -1.366
155 HD2 ARG 21 2HD ARG 21 8.742 -2.831 -2.032
156 HD3 ARG 21 3HD ARG 21 9.539 -1.319 -2.498
157 HE ARG 21 HE ARG 21 8.419 -1.853 0.248
158 HH11 ARG 21 1HH1 ARG 21 11.087 -0.323 -1.578
159 HH12 ARG 21 2HH1 ARG 21 11.757 0.242 -0.054
160 HH21 ARG 21 1HH2 ARG 21 9.635 -1.474 1.949
161 HH22 ARG 21 2HH2 ARG 21 11.076 -0.500 1.838
162 H CYS 22 H CYS 22 4.264 -1.083 -1.577
163 HA CYS 22 HA CYS 22 3.366 1.597 -1.294
164 HB2 CYS 22 2HB CYS 22 3.943 -0.627 0.687
165 HB3 CYS 22 3HB CYS 22 3.312 0.953 1.168
166 H GLY 23 H GLY 23 6.422 0.228 0.195
167 HA2 GLY 23 2HA GLY 23 7.435 2.658 1.160
168 HA3 GLY 23 3HA GLY 23 8.418 1.292 0.647
169 H THR 24 H THR 24 7.074 1.935 -2.209
170 HA THR 24 HA THR 24 8.753 4.286 -2.957
171 HB THR 24 HB THR 24 9.047 3.170 -5.191
172 HG1 THR 24 HG1 THR 24 7.666 1.568 -5.311
173 HG21 THR 24 1HG2 THR 24 10.209 1.634 -2.837
174 HG22 THR 24 2HG2 THR 24 10.837 1.697 -4.498
175 HG23 THR 24 3HG2 THR 24 10.849 3.159 -3.494
176 H CYS 25 H CYS 25 5.772 3.771 -2.256
177 HA CYS 25 HA CYS 25 4.328 4.528 -4.659
178 HB2 CYS 25 2HB CYS 25 3.197 3.230 -2.991
179 HB3 CYS 25 3HB CYS 25 3.609 4.373 -1.713
180 H ARG 26 H ARG 26 2.943 6.427 -4.642
181 HA ARG 26 HA ARG 26 4.622 8.821 -4.599
182 HB2 ARG 26 2HB ARG 26 2.786 7.954 -6.325
183 HB3 ARG 26 3HB ARG 26 1.661 8.840 -5.304
184 HG2 ARG 26 2HG ARG 26 4.205 10.155 -6.301
185 HG3 ARG 26 3HG ARG 26 2.890 9.901 -7.434
186 HD2 ARG 26 2HD ARG 26 1.460 11.407 -6.419
187 HD3 ARG 26 3HD ARG 26 2.239 11.308 -4.849
188 HE ARG 26 HE ARG 26 3.065 12.991 -7.128
189 HH11 ARG 26 1HH1 ARG 26 4.096 11.724 -4.004
190 HH12 ARG 26 2HH1 ARG 26 5.487 12.782 -3.966
191 HH21 ARG 26 1HH2 ARG 26 4.690 14.365 -6.923
192 HH22 ARG 26 2HH2 ARG 26 5.638 14.433 -5.423
193 H GLN 27 H GLN 27 2.408 7.398 -2.378
194 HA GLN 27 HA GLN 27 2.286 9.919 -0.782
195 HB2 GLN 27 2HB GLN 27 -0.105 9.706 -0.544
196 HB3 GLN 27 3HB GLN 27 0.377 9.804 -2.224
197 HG2 GLN 27 2HG GLN 27 0.210 7.169 -2.188
198 HG3 GLN 27 3HG GLN 27 -0.752 7.413 -0.738
199 HE21 GLN 27 1HE2 GLN 27 -1.809 6.194 -3.086
200 HE22 GLN 27 2HE2 GLN 27 -2.923 7.325 -3.861
201 H PHE 28 H PHE 28 3.440 6.907 -0.408
202 HA PHE 28 HA PHE 28 2.317 6.119 2.142
203 HB2 PHE 28 2HB PHE 28 3.363 4.580 0.529
204 HB3 PHE 28 3HB PHE 28 4.907 5.377 0.743
205 HD1 PHE 28 HD1 PHE 28 2.342 3.245 2.408
206 HD2 PHE 28 HD2 PHE 28 6.353 4.811 2.591
207 HE1 PHE 28 HE1 PHE 28 2.901 1.607 4.190
208 HE2 PHE 28 HE2 PHE 28 6.905 3.183 4.388
209 HZ PHE 28 HZ PHE 28 5.174 1.585 5.191
210 H ARG 29 H ARG 29 3.102 6.332 4.209
211 HA ARG 29 HA ARG 29 5.564 7.970 4.724
212 HB2 ARG 29 2HB ARG 29 2.872 8.110 6.092
213 HB3 ARG 29 3HB ARG 29 4.350 8.474 6.967
214 HG2 ARG 29 2HG ARG 29 3.409 10.515 6.245
215 HG3 ARG 29 3HG ARG 29 4.916 10.266 5.364
216 HD2 ARG 29 2HD ARG 29 3.758 9.772 3.332
217 HD3 ARG 29 3HD ARG 29 2.215 9.540 4.183
218 HE ARG 29 HE ARG 29 3.312 12.233 4.501
219 HH11 ARG 29 1HH1 ARG 29 1.509 10.275 2.145
220 HH12 ARG 29 2HH1 ARG 29 0.662 11.722 1.591
221 HH21 ARG 29 1HH2 ARG 29 1.939 13.902 3.773
222 HH22 ARG 29 2HH2 ARG 29 0.959 13.565 2.349
223 HA PRO 30 HA PRO 30 6.654 4.141 6.871
224 HB2 PRO 30 2HB PRO 30 8.944 5.873 7.798
225 HB3 PRO 30 3HB PRO 30 8.979 4.194 7.179
226 HG2 PRO 30 2HG PRO 30 9.712 6.245 5.574
227 HG3 PRO 30 3HG PRO 30 8.660 4.943 4.926
228 HD2 PRO 30 2HD PRO 30 7.840 7.673 5.971
229 HD3 PRO 30 3HD PRO 30 7.351 6.846 4.457
230 HA PRO 31 HA PRO 31 7.498 2.810 8.602
231 HB2 PRO 31 2HB PRO 31 6.542 1.222 10.578
232 HB3 PRO 31 3HB PRO 31 7.865 2.389 10.851
233 HG2 PRO 31 2HG PRO 31 4.916 2.761 11.453
234 HG3 PRO 31 3HG PRO 31 6.311 3.072 12.529
235 HD2 PRO 31 2HD PRO 31 5.125 5.061 11.060
236 HD3 PRO 31 3HD PRO 31 6.882 5.039 11.382
237 H SER 32 H SER 32 4.069 3.461 9.253
238 HA SER 32 HA SER 32 3.240 1.097 7.653
239 HB2 SER 32 2HB SER 32 1.864 0.329 9.539
240 HB3 SER 32 3HB SER 32 3.568 0.420 9.979
241 HG SER 32 HG SER 32 2.404 1.309 11.615
242 H SER 33 H SER 33 2.872 4.022 7.033
243 HA SER 33 HA SER 33 -0.130 4.102 7.081
244 HB2 SER 33 2HB SER 33 1.875 6.360 7.198
245 HB3 SER 33 3HB SER 33 0.124 6.553 6.994
246 HG SER 33 HG SER 33 0.624 6.753 9.112
247 H CYS 34 H CYS 34 -0.848 3.470 5.177
248 HA CYS 34 HA CYS 34 -0.129 5.069 2.761
249 HB2 CYS 34 2HB CYS 34 -0.862 2.750 2.311
250 HB3 CYS 34 3HB CYS 34 -2.363 3.033 3.236
251 H ILE 35 H ILE 35 -1.462 6.801 2.166
252 HA ILE 35 HA ILE 35 -3.446 7.715 4.201
253 HB ILE 35 HB ILE 35 -3.258 9.946 3.402
254 HG12 ILE 35 2HG1 ILE 35 -1.258 10.558 1.944
255 HG13 ILE 35 3HG1 ILE 35 -1.239 8.886 1.386
256 HG21 ILE 35 1HG2 ILE 35 -0.502 8.777 3.958
257 HG22 ILE 35 2HG2 ILE 35 -1.072 10.422 4.302
258 HG23 ILE 35 3HG2 ILE 35 -1.762 9.055 5.181
259 HD11 ILE 35 1HD1 ILE 35 -3.609 10.802 1.137
260 HD12 ILE 35 2HD1 ILE 35 -2.402 10.517 -0.130
261 HD13 ILE 35 3HD1 ILE 35 -3.461 9.200 0.381
262 H THR 36 H THR 36 -3.581 5.894 1.527
263 HA THR 36 HA THR 36 -6.393 6.823 0.980
264 HB THR 36 HB THR 36 -6.380 5.682 -1.130
265 HG1 THR 36 HG1 THR 36 -3.686 5.050 -0.494
266 HG21 THR 36 1HG2 THR 36 -5.034 7.181 -2.423
267 HG22 THR 36 2HG2 THR 36 -5.686 8.077 -1.039
268 HG23 THR 36 3HG2 THR 36 -3.988 7.541 -1.035
269 H VAL 37 H VAL 37 -4.331 4.045 1.780
270 HA VAL 37 HA VAL 37 -6.756 2.362 2.139
271 HB VAL 37 HB VAL 37 -3.851 1.490 2.057
272 HG11 VAL 37 1HG1 VAL 37 -5.285 -0.158 3.140
273 HG12 VAL 37 2HG1 VAL 37 -6.480 -0.049 1.823
274 HG13 VAL 37 3HG1 VAL 37 -4.862 -0.736 1.536
275 HG21 VAL 37 1HG2 VAL 37 -4.305 2.406 -0.112
276 HG22 VAL 37 2HG2 VAL 37 -4.461 0.665 -0.249
277 HG23 VAL 37 3HG2 VAL 37 -5.926 1.680 -0.160
278 H GLU 38 H GLU 38 -7.175 1.275 4.067
279 HA GLU 38 HA GLU 38 -6.668 2.661 6.427
280 HB2 GLU 38 2HB GLU 38 -7.613 -0.136 5.900
281 HB3 GLU 38 3HB GLU 38 -7.347 0.372 7.549
282 HG2 GLU 38 2HG GLU 38 -9.181 1.881 5.642
283 HG3 GLU 38 3HG GLU 38 -9.706 0.635 6.782
284 H SER 39 H SER 39 -5.610 2.357 8.241
285 HA SER 39 HA SER 39 -2.983 0.955 8.077
286 HB2 SER 39 2HB SER 39 -1.910 2.817 9.048
287 HB3 SER 39 3HB SER 39 -3.024 3.505 7.865
288 HG SER 39 HG SER 39 -3.651 4.645 9.529
289 HA PRO 40 HA PRO 40 -1.136 1.057 9.906
290 HB2 PRO 40 2HB PRO 40 -0.658 -1.503 11.341
291 HB3 PRO 40 3HB PRO 40 0.234 0.042 11.440
292 HG2 PRO 40 2HG PRO 40 -1.441 -0.706 13.438
293 HG3 PRO 40 3HG PRO 40 -1.427 0.998 12.866
294 HD2 PRO 40 2HD PRO 40 -3.325 -1.233 12.043
295 HD3 PRO 40 3HD PRO 40 -3.719 0.413 12.611
296 H ILE 41 H ILE 41 0.230 0.151 8.387
297 HA ILE 41 HA ILE 41 -0.687 -2.212 6.856
298 HB ILE 41 HB ILE 41 -1.447 0.330 6.198
299 HG12 ILE 41 2HG1 ILE 41 -0.920 -2.017 4.371
300 HG13 ILE 41 3HG1 ILE 41 -2.343 -1.704 5.343
301 HG21 ILE 41 1HG2 ILE 41 0.924 -0.103 4.352
302 HG22 ILE 41 2HG2 ILE 41 -0.195 1.261 4.403
303 HG23 ILE 41 3HG2 ILE 41 0.943 1.019 5.731
304 HD11 ILE 41 1HD1 ILE 41 -2.861 -1.144 3.067
305 HD12 ILE 41 2HD1 ILE 41 -2.788 0.368 3.997
306 HD13 ILE 41 3HD1 ILE 41 -1.445 -0.093 2.925
307 H SER 42 H SER 42 0.882 -2.808 5.053
308 HA SER 42 HA SER 42 3.534 -3.093 6.277
309 HB2 SER 42 2HB SER 42 2.269 -5.006 5.284
310 HB3 SER 42 3HB SER 42 2.451 -4.236 3.695
311 HG SER 42 HG SER 42 4.119 -5.566 3.823
312 H GLU 43 H GLU 43 5.552 -2.685 5.180
313 HA GLU 43 HA GLU 43 5.524 -0.374 3.369
314 HB2 GLU 43 2HB GLU 43 7.874 -0.281 3.741
315 HB3 GLU 43 3HB GLU 43 7.010 -0.403 5.270
316 HG2 GLU 43 2HG GLU 43 7.619 -2.807 5.420
317 HG3 GLU 43 3HG GLU 43 8.527 -2.632 3.919
318 H ASN 44 H ASN 44 5.277 -3.662 2.821
319 HA ASN 44 HA ASN 44 6.679 -3.517 0.207
320 HB2 ASN 44 2HB ASN 44 6.556 -5.887 0.060
321 HB3 ASN 44 3HB ASN 44 7.229 -5.428 1.595
322 HD21 ASN 44 1HD2 ASN 44 6.919 -7.707 1.912
323 HD22 ASN 44 2HD2 ASN 44 5.429 -8.089 2.743
324 H GLY 45 H GLY 45 3.486 -4.906 1.041
325 HA2 GLY 45 2HA GLY 45 1.374 -4.421 0.377
326 HA3 GLY 45 3HA GLY 45 1.995 -2.785 0.263
327 H TRP 46 H TRP 46 1.642 -1.795 -1.490
328 HA TRP 46 HA TRP 46 0.915 -1.192 -3.516
329 HB2 TRP 46 2HB TRP 46 2.411 -3.024 -4.542
330 HB3 TRP 46 3HB TRP 46 0.974 -4.006 -4.588
331 HD1 TRP 46 HD1 TRP 46 1.691 -0.347 -5.685
332 HE1 TRP 46 HE1 TRP 46 0.592 0.052 -7.981
333 HE3 TRP 46 HE3 TRP 46 -0.288 -5.005 -6.480
334 HZ2 TRP 46 HZ2 TRP 46 -1.067 -1.382 -9.809
335 HZ3 TRP 46 HZ3 TRP 46 -1.732 -5.415 -8.470
336 HH2 TRP 46 HH2 TRP 46 -2.143 -3.608 -10.116
337 H CYS 47 H CYS 47 -1.070 -0.452 -3.357
338 HA CYS 47 HA CYS 47 -3.458 -2.245 -3.374
339 HB2 CYS 47 2HB CYS 47 -4.693 -0.154 -3.194
340 HB3 CYS 47 3HB CYS 47 -3.395 -0.119 -1.984
341 H ARG 48 H ARG 48 -5.078 -1.235 -5.311
342 HA ARG 48 HA ARG 48 -3.502 -1.638 -7.772
343 HB2 ARG 48 2HB ARG 48 -5.956 -2.490 -7.150
344 HB3 ARG 48 3HB ARG 48 -6.427 -1.028 -8.009
345 HG2 ARG 48 2HG ARG 48 -4.544 -3.206 -9.050
346 HG3 ARG 48 3HG ARG 48 -6.254 -3.136 -9.416
347 HD2 ARG 48 2HD ARG 48 -4.296 -0.928 -10.195
348 HD3 ARG 48 3HD ARG 48 -4.675 -2.295 -11.215
349 HE ARG 48 HE ARG 48 -6.616 -0.174 -10.370
350 HH11 ARG 48 1HH1 ARG 48 -5.847 -2.724 -12.772
351 HH12 ARG 48 2HH1 ARG 48 -7.249 -2.227 -13.704
352 HH21 ARG 48 1HH2 ARG 48 -8.284 0.262 -11.703
353 HH22 ARG 48 2HH2 ARG 48 -8.490 -0.647 -13.194
354 H LEU 49 H LEU 49 -2.337 0.331 -6.882
355 HA LEU 49 HA LEU 49 -3.274 2.984 -7.538
356 HB2 LEU 49 2HB LEU 49 -1.692 2.490 -5.712
357 HB3 LEU 49 3HB LEU 49 -0.547 1.817 -6.857
358 HG LEU 49 HG LEU 49 -0.284 4.113 -7.876
359 HD11 LEU 49 1HD1 LEU 49 -1.954 4.955 -5.464
360 HD12 LEU 49 2HD1 LEU 49 -1.032 6.055 -6.510
361 HD13 LEU 49 3HD1 LEU 49 -2.403 5.160 -7.171
362 HD21 LEU 49 1HD2 LEU 49 1.294 3.240 -6.209
363 HD22 LEU 49 2HD2 LEU 49 1.074 4.989 -6.025
364 HD23 LEU 49 3HD2 LEU 49 0.274 3.870 -4.903
365 H TYR 50 H TYR 50 -2.939 4.220 -9.286
366 HA TYR 50 HA TYR 50 -0.718 3.532 -11.155
367 HB2 TYR 50 2HB TYR 50 -3.352 4.856 -11.872
368 HB3 TYR 50 3HB TYR 50 -1.946 4.795 -12.920
369 HD1 TYR 50 HD1 TYR 50 -0.930 2.334 -13.313
370 HD2 TYR 50 HD2 TYR 50 -5.001 3.200 -12.205
371 HE1 TYR 50 HE1 TYR 50 -1.643 0.156 -14.268
372 HE2 TYR 50 HE2 TYR 50 -5.723 1.046 -13.210
373 HH TYR 50 HH TYR 50 -3.415 -1.245 -14.718
374 H ALA 51 H ALA 51 0.794 5.093 -11.397
375 HA ALA 51 HA ALA 51 0.357 7.873 -10.710
376 HB1 ALA 51 1HB ALA 51 0.687 6.965 -8.435
377 HB2 ALA 51 2HB ALA 51 2.204 6.195 -8.947
378 HB3 ALA 51 3HB ALA 51 2.070 7.967 -8.915
379 H GLY 52 H GLY 52 2.040 9.230 -11.507
380 HA2 GLY 52 2HA GLY 52 3.809 8.128 -13.486
381 HA3 GLY 52 3HA GLY 52 3.686 9.813 -13.012
382 H LYS 53 H LYS 53 4.149 9.407 -10.231
383 HA LYS 53 HA LYS 53 7.089 8.847 -10.151
384 HB2 LYS 53 2HB LYS 53 5.221 10.494 -8.431
385 HB3 LYS 53 3HB LYS 53 6.787 9.963 -7.822
386 HG2 LYS 53 2HG LYS 53 6.981 12.200 -8.669
387 HG3 LYS 53 3HG LYS 53 7.957 11.094 -9.641
388 HD2 LYS 53 2HD LYS 53 6.274 11.122 -11.425
389 HD3 LYS 53 3HD LYS 53 5.204 12.140 -10.427
390 HE2 LYS 53 2HE LYS 53 7.011 13.901 -10.432
391 HE3 LYS 53 3HE LYS 53 7.958 12.867 -11.512
392 HZ1 LYS 53 1HZ LYS 53 5.997 12.955 -13.053
393 HZ2 LYS 53 2HZ LYS 53 5.355 14.146 -12.093
394 HZ3 LYS 53 3HZ LYS 53 6.779 14.377 -12.866
395 H ALA 54 H ALA 54 6.883 6.650 -10.295
396 HA ALA 54 HA ALA 54 6.287 5.228 -7.728
397 HB1 ALA 54 1HB ALA 54 5.371 4.376 -10.508
398 HB2 ALA 54 2HB ALA 54 5.123 3.462 -9.003
399 HB3 ALA 54 3HB ALA 54 4.335 5.031 -9.226
Start of MODEL 9
1 H1 VAL 1 1H VAL 1 -8.574 9.469 12.321
2 H2 VAL 1 2H VAL 1 -9.422 8.455 13.285
3 H3 VAL 1 3H VAL 1 -8.440 9.566 13.964
4 HA VAL 1 HA VAL 1 -10.608 10.337 14.265
5 HB VAL 1 HB VAL 1 -9.240 11.874 12.043
6 HG11 VAL 1 1HG1 VAL 1 -11.567 12.592 12.025
7 HG12 VAL 1 2HG1 VAL 1 -11.581 12.705 13.802
8 HG13 VAL 1 3HG1 VAL 1 -10.595 13.817 12.833
9 HG21 VAL 1 1HG2 VAL 1 -9.376 12.320 15.056
10 HG22 VAL 1 2HG2 VAL 1 -7.974 11.664 14.188
11 HG23 VAL 1 3HG2 VAL 1 -8.512 13.317 13.875
12 H THR 2 H THR 2 -10.262 9.846 10.656
13 HA THR 2 HA THR 2 -13.140 9.026 10.687
14 HB THR 2 HB THR 2 -12.836 11.248 9.750
15 HG1 THR 2 HG1 THR 2 -14.344 10.765 8.383
16 HG21 THR 2 1HG2 THR 2 -11.858 11.537 7.505
17 HG22 THR 2 2HG2 THR 2 -10.639 11.157 8.724
18 HG23 THR 2 3HG2 THR 2 -11.181 9.899 7.592
19 H LYS 3 H LYS 3 -13.849 7.550 9.108
20 HA LYS 3 HA LYS 3 -12.177 5.238 9.148
21 HB2 LYS 3 2HB LYS 3 -14.927 5.719 8.862
22 HB3 LYS 3 3HB LYS 3 -14.483 5.081 7.295
23 HG2 LYS 3 2HG LYS 3 -15.077 3.200 8.520
24 HG3 LYS 3 3HG LYS 3 -13.311 3.152 8.585
25 HD2 LYS 3 2HD LYS 3 -13.373 4.194 10.856
26 HD3 LYS 3 3HD LYS 3 -15.131 4.301 10.765
27 HE2 LYS 3 2HE LYS 3 -13.457 1.760 10.915
28 HE3 LYS 3 3HE LYS 3 -14.500 2.440 12.168
29 HZ1 LYS 3 1HZ LYS 3 -15.296 1.135 9.654
30 HZ2 LYS 3 2HZ LYS 3 -15.818 0.811 11.180
31 HZ3 LYS 3 3HZ LYS 3 -16.338 2.165 10.402
32 H LYS 4 H LYS 4 -10.797 4.377 7.805
33 HA LYS 4 HA LYS 4 -10.023 5.743 5.343
34 HB2 LYS 4 2HB LYS 4 -8.829 3.255 6.648
35 HB3 LYS 4 3HB LYS 4 -8.109 4.248 5.370
36 HG2 LYS 4 2HG LYS 4 -8.302 6.242 6.912
37 HG3 LYS 4 3HG LYS 4 -8.798 5.148 8.194
38 HD2 LYS 4 2HD LYS 4 -6.521 5.578 8.568
39 HD3 LYS 4 3HD LYS 4 -6.596 3.928 7.927
40 HE2 LYS 4 2HE LYS 4 -5.976 4.748 5.690
41 HE3 LYS 4 3HE LYS 4 -6.022 6.425 6.260
42 HZ1 LYS 4 1HZ LYS 4 -4.200 4.402 7.426
43 HZ2 LYS 4 2HZ LYS 4 -3.749 5.376 6.211
44 HZ3 LYS 4 3HZ LYS 4 -4.166 6.020 7.672
45 H ALA 5 H ALA 5 -9.415 4.537 3.442
46 HA ALA 5 HA ALA 5 -11.627 2.944 2.347
47 HB1 ALA 5 1HB ALA 5 -10.140 2.765 0.361
48 HB2 ALA 5 2HB ALA 5 -10.354 4.445 0.895
49 HB3 ALA 5 3HB ALA 5 -8.852 3.573 1.275
50 H SER 6 H SER 6 -11.791 0.694 2.267
51 HA SER 6 HA SER 6 -10.137 -0.772 4.132
52 HB2 SER 6 2HB SER 6 -11.563 -2.646 3.620
53 HB3 SER 6 3HB SER 6 -12.565 -1.197 3.773
54 HG SER 6 HG SER 6 -12.816 -1.106 1.607
55 H HIS 7 H HIS 7 -9.104 -2.906 3.618
56 HA HIS 7 HA HIS 7 -7.178 -3.004 1.517
57 HB2 HIS 7 2HB HIS 7 -8.744 -5.255 2.858
58 HB3 HIS 7 3HB HIS 7 -7.422 -5.529 1.741
59 HD2 HIS 7 HD2 HIS 7 -6.043 -2.778 3.668
60 HE1 HIS 7 HE1 HIS 7 -5.142 -6.181 6.054
61 HE2 HIS 7 HE2 HIS 7 -4.645 -3.721 5.690
62 H LYS 8 H LYS 8 -10.621 -3.744 1.396
63 HA LYS 8 HA LYS 8 -10.631 -5.095 -1.174
64 HB2 LYS 8 2HB LYS 8 -12.931 -3.735 0.285
65 HB3 LYS 8 3HB LYS 8 -13.037 -4.936 -0.957
66 HG2 LYS 8 2HG LYS 8 -11.852 -5.435 1.814
67 HG3 LYS 8 3HG LYS 8 -13.533 -5.681 1.391
68 HD2 LYS 8 2HD LYS 8 -12.926 -7.427 -0.248
69 HD3 LYS 8 3HD LYS 8 -11.208 -7.116 0.056
70 HE2 LYS 8 2HE LYS 8 -11.720 -9.031 1.345
71 HE3 LYS 8 3HE LYS 8 -11.575 -7.694 2.480
72 HZ1 LYS 8 1HZ LYS 8 -13.473 -8.943 3.074
73 HZ2 LYS 8 2HZ LYS 8 -14.115 -7.600 2.372
74 HZ3 LYS 8 3HZ LYS 8 -14.051 -9.032 1.559
75 H ASP 9 H ASP 9 -11.772 -1.911 -0.123
76 HA ASP 9 HA ASP 9 -12.307 -0.621 -2.559
77 HB2 ASP 9 2HB ASP 9 -11.143 0.323 0.090
78 HB3 ASP 9 3HB ASP 9 -11.598 1.394 -1.179
79 H ALA 10 H ALA 10 -9.190 -1.188 -0.952
80 HA ALA 10 HA ALA 10 -7.669 0.384 -2.888
81 HB1 ALA 10 1HB ALA 10 -6.804 -1.313 -0.521
82 HB2 ALA 10 2HB ALA 10 -5.783 -0.171 -1.423
83 HB3 ALA 10 3HB ALA 10 -7.161 0.429 -0.483
84 H GLY 11 H GLY 11 -8.896 -2.771 -3.049
85 HA2 GLY 11 2HA GLY 11 -8.406 -4.625 -4.293
86 HA3 GLY 11 3HA GLY 11 -7.442 -3.583 -5.345
87 H TYR 12 H TYR 12 -6.815 -4.210 -1.917
88 HA TYR 12 HA TYR 12 -4.047 -4.143 -2.304
89 HB2 TYR 12 2HB TYR 12 -5.152 -3.402 -0.302
90 HB3 TYR 12 3HB TYR 12 -5.807 -5.003 0.001
91 HD1 TYR 12 HD1 TYR 12 -2.485 -3.220 -0.280
92 HD2 TYR 12 HD2 TYR 12 -4.761 -6.427 1.501
93 HE1 TYR 12 HE1 TYR 12 -0.601 -3.716 1.248
94 HE2 TYR 12 HE2 TYR 12 -2.862 -6.923 3.033
95 HH TYR 12 HH TYR 12 -0.775 -6.342 3.693
96 H GLN 13 H GLN 13 -2.361 -5.511 -2.101
97 HA GLN 13 HA GLN 13 -2.799 -8.344 -1.410
98 HB2 GLN 13 2HB GLN 13 -1.045 -9.062 -3.025
99 HB3 GLN 13 3HB GLN 13 -2.534 -8.524 -3.785
100 HG2 GLN 13 2HG GLN 13 -1.483 -6.331 -4.336
101 HG3 GLN 13 3HG GLN 13 0.017 -6.864 -3.568
102 HE21 GLN 13 1HE2 GLN 13 1.428 -6.881 -5.147
103 HE22 GLN 13 2HE2 GLN 13 1.220 -7.913 -6.551
104 H GLU 14 H GLU 14 -1.253 -9.172 -0.035
105 HA GLU 14 HA GLU 14 0.409 -7.252 1.311
106 HB2 GLU 14 2HB GLU 14 0.959 -8.968 2.827
107 HB3 GLU 14 3HB GLU 14 -0.743 -9.137 2.394
108 HG2 GLU 14 2HG GLU 14 -0.276 -11.064 0.996
109 HG3 GLU 14 3HG GLU 14 1.469 -10.830 1.166
110 H SER 15 H SER 15 1.065 -8.705 -1.569
111 HA SER 15 HA SER 15 3.992 -8.774 -1.116
112 HB2 SER 15 2HB SER 15 4.039 -10.014 -3.357
113 HB3 SER 15 3HB SER 15 3.513 -10.842 -1.916
114 HG SER 15 HG SER 15 2.162 -10.190 -4.237
115 HA PRO 16 HA PRO 16 4.864 -5.429 -3.948
116 HB2 PRO 16 2HB PRO 16 6.987 -7.224 -5.085
117 HB3 PRO 16 3HB PRO 16 7.143 -5.560 -4.453
118 HG2 PRO 16 2HG PRO 16 8.025 -7.721 -3.038
119 HG3 PRO 16 3HG PRO 16 7.243 -6.329 -2.220
120 HD2 PRO 16 2HD PRO 16 6.012 -9.008 -2.945
121 HD3 PRO 16 3HD PRO 16 5.861 -8.047 -1.455
122 H ASN 17 H ASN 17 4.426 -4.931 -6.123
123 HA ASN 17 HA ASN 17 3.644 -7.177 -7.959
124 HB2 ASN 17 2HB ASN 17 1.781 -5.704 -7.434
125 HB3 ASN 17 3HB ASN 17 2.715 -4.289 -7.799
126 HD21 ASN 17 1HD2 ASN 17 0.414 -4.337 -9.142
127 HD22 ASN 17 2HD2 ASN 17 0.656 -4.901 -10.794
128 H GLY 18 H GLY 18 5.724 -7.669 -8.637
129 HA2 GLY 18 2HA GLY 18 7.571 -7.500 -10.032
130 HA3 GLY 18 3HA GLY 18 6.899 -6.007 -10.701
131 H ALA 19 H ALA 19 7.741 -4.065 -10.042
132 HA ALA 19 HA ALA 19 9.524 -4.002 -7.640
133 HB1 ALA 19 1HB ALA 19 10.775 -3.738 -9.734
134 HB2 ALA 19 2HB ALA 19 9.747 -2.361 -10.181
135 HB3 ALA 19 3HB ALA 19 10.802 -2.253 -8.760
136 H LYS 20 H LYS 20 6.446 -3.102 -8.625
137 HA LYS 20 HA LYS 20 6.400 -0.475 -7.275
138 HB2 LYS 20 2HB LYS 20 4.159 -2.210 -8.370
139 HB3 LYS 20 3HB LYS 20 4.021 -0.540 -7.847
140 HG2 LYS 20 2HG LYS 20 4.701 0.274 -9.836
141 HG3 LYS 20 3HG LYS 20 6.092 -0.801 -9.939
142 HD2 LYS 20 2HD LYS 20 4.657 -2.641 -10.726
143 HD3 LYS 20 3HD LYS 20 3.226 -1.620 -10.545
144 HE2 LYS 20 2HE LYS 20 4.290 -0.023 -12.242
145 HE3 LYS 20 3HE LYS 20 5.569 -1.236 -12.457
146 HZ1 LYS 20 1HZ LYS 20 2.690 -1.529 -13.115
147 HZ2 LYS 20 2HZ LYS 20 4.001 -1.708 -14.125
148 HZ3 LYS 20 3HZ LYS 20 3.682 -2.817 -12.987
149 H ARG 21 H ARG 21 6.193 -0.324 -5.131
150 HA ARG 21 HA ARG 21 4.336 -2.014 -3.647
151 HB2 ARG 21 2HB ARG 21 5.784 -3.072 -2.172
152 HB3 ARG 21 3HB ARG 21 6.667 -3.221 -3.684
153 HG2 ARG 21 2HG ARG 21 7.978 -1.130 -2.996
154 HG3 ARG 21 3HG ARG 21 7.111 -1.215 -1.446
155 HD2 ARG 21 2HD ARG 21 8.037 -3.663 -1.335
156 HD3 ARG 21 3HD ARG 21 9.196 -3.113 -2.547
157 HE ARG 21 HE ARG 21 8.893 -2.176 0.262
158 HH11 ARG 21 1HH1 ARG 21 10.513 -1.400 -2.828
159 HH12 ARG 21 2HH1 ARG 21 11.509 -0.225 -1.987
160 HH21 ARG 21 1HH2 ARG 21 10.678 -0.993 1.173
161 HH22 ARG 21 2HH2 ARG 21 11.520 0.033 0.029
162 H CYS 22 H CYS 22 3.987 -1.186 -1.432
163 HA CYS 22 HA CYS 22 3.529 1.441 -1.004
164 HB2 CYS 22 2HB CYS 22 4.519 -0.677 0.934
165 HB3 CYS 22 3HB CYS 22 3.793 0.868 1.422
166 H GLY 23 H GLY 23 6.760 0.078 0.008
167 HA2 GLY 23 2HA GLY 23 7.855 2.431 0.993
168 HA3 GLY 23 3HA GLY 23 8.791 1.141 0.245
169 H THR 24 H THR 24 7.214 1.909 -2.395
170 HA THR 24 HA THR 24 8.196 4.554 -3.046
171 HB THR 24 HB THR 24 10.248 3.515 -3.394
172 HG1 THR 24 HG1 THR 24 10.374 3.713 -5.765
173 HG21 THR 24 1HG2 THR 24 9.505 1.179 -3.654
174 HG22 THR 24 2HG2 THR 24 8.958 1.547 -5.302
175 HG23 THR 24 3HG2 THR 24 10.680 1.678 -4.869
176 H CYS 25 H CYS 25 5.871 4.677 -3.047
177 HA CYS 25 HA CYS 25 4.498 3.395 -5.363
178 HB2 CYS 25 2HB CYS 25 2.578 3.191 -3.977
179 HB3 CYS 25 3HB CYS 25 3.946 2.592 -3.075
180 H ARG 26 H ARG 26 3.120 5.810 -3.407
181 HA ARG 26 HA ARG 26 3.389 8.164 -5.072
182 HB2 ARG 26 2HB ARG 26 1.064 8.426 -5.712
183 HB3 ARG 26 3HB ARG 26 1.716 6.956 -6.419
184 HG2 ARG 26 2HG ARG 26 0.597 5.623 -4.588
185 HG3 ARG 26 3HG ARG 26 -0.137 7.115 -3.993
186 HD2 ARG 26 2HD ARG 26 -0.562 5.881 -6.748
187 HD3 ARG 26 3HD ARG 26 -1.674 5.804 -5.376
188 HE ARG 26 HE ARG 26 -0.900 8.499 -6.406
189 HH11 ARG 26 1HH1 ARG 26 -3.446 6.077 -6.491
190 HH12 ARG 26 2HH1 ARG 26 -4.676 7.353 -6.512
191 HH21 ARG 26 1HH2 ARG 26 -2.391 9.855 -6.967
192 HH22 ARG 26 2HH2 ARG 26 -4.012 9.310 -7.392
193 H GLN 27 H GLN 27 2.341 6.604 -2.125
194 HA GLN 27 HA GLN 27 2.181 9.247 -0.807
195 HB2 GLN 27 2HB GLN 27 -0.012 7.145 -0.689
196 HB3 GLN 27 3HB GLN 27 0.185 8.368 0.558
197 HG2 GLN 27 2HG GLN 27 -0.382 8.984 -2.371
198 HG3 GLN 27 3HG GLN 27 -1.571 8.920 -1.085
199 HE21 GLN 27 1HE2 GLN 27 -1.943 11.234 -1.965
200 HE22 GLN 27 2HE2 GLN 27 -0.903 12.478 -1.254
201 H PHE 28 H PHE 28 1.529 5.924 0.346
202 HA PHE 28 HA PHE 28 2.172 4.729 2.063
203 HB2 PHE 28 2HB PHE 28 4.046 4.456 0.634
204 HB3 PHE 28 3HB PHE 28 4.870 5.843 1.336
205 HD1 PHE 28 HD1 PHE 28 3.146 2.950 3.095
206 HD2 PHE 28 HD2 PHE 28 6.854 4.945 2.168
207 HE1 PHE 28 HE1 PHE 28 4.338 1.480 4.691
208 HE2 PHE 28 HE2 PHE 28 8.044 3.467 3.770
209 HZ PHE 28 HZ PHE 28 6.783 1.744 5.047
210 H ARG 29 H ARG 29 3.528 7.962 2.809
211 HA ARG 29 HA ARG 29 3.998 8.923 4.827
212 HB2 ARG 29 2HB ARG 29 1.476 8.953 4.586
213 HB3 ARG 29 3HB ARG 29 1.406 7.633 5.734
214 HG2 ARG 29 2HG ARG 29 0.979 9.798 6.796
215 HG3 ARG 29 3HG ARG 29 2.416 9.049 7.474
216 HD2 ARG 29 2HD ARG 29 2.621 11.537 7.078
217 HD3 ARG 29 3HD ARG 29 3.877 10.561 6.333
218 HE ARG 29 HE ARG 29 3.191 11.194 4.232
219 HH11 ARG 29 1HH1 ARG 29 0.587 12.180 6.421
220 HH12 ARG 29 2HH1 ARG 29 -0.323 12.844 5.065
221 HH21 ARG 29 1HH2 ARG 29 1.914 12.175 2.639
222 HH22 ARG 29 2HH2 ARG 29 0.363 12.841 3.138
223 HA PRO 30 HA PRO 30 6.018 5.101 6.344
224 HB2 PRO 30 2HB PRO 30 8.237 7.071 6.880
225 HB3 PRO 30 3HB PRO 30 8.337 5.425 6.190
226 HG2 PRO 30 2HG PRO 30 8.482 7.630 4.602
227 HG3 PRO 30 3HG PRO 30 7.578 6.182 4.076
228 HD2 PRO 30 2HD PRO 30 6.507 8.753 5.232
229 HD3 PRO 30 3HD PRO 30 5.875 7.756 3.893
230 HA PRO 31 HA PRO 31 7.386 3.889 7.780
231 HB2 PRO 31 2HB PRO 31 7.263 2.177 9.853
232 HB3 PRO 31 3HB PRO 31 8.311 3.627 9.897
233 HG2 PRO 31 2HG PRO 31 5.521 3.326 11.068
234 HG3 PRO 31 3HG PRO 31 7.004 3.913 11.891
235 HD2 PRO 31 2HD PRO 31 5.173 5.619 10.753
236 HD3 PRO 31 3HD PRO 31 6.925 5.974 10.769
237 H SER 32 H SER 32 4.037 4.210 8.656
238 HA SER 32 HA SER 32 3.306 1.680 7.262
239 HB2 SER 32 2HB SER 32 2.261 0.754 9.208
240 HB3 SER 32 3HB SER 32 3.898 1.217 9.687
241 HG SER 32 HG SER 32 2.809 2.205 11.240
242 H SER 33 H SER 33 2.459 4.894 7.525
243 HA SER 33 HA SER 33 -0.248 4.466 8.544
244 HB2 SER 33 2HB SER 33 1.381 6.966 8.027
245 HB3 SER 33 3HB SER 33 -0.213 6.923 8.777
246 HG SER 33 HG SER 33 1.693 6.885 10.233
247 H CYS 34 H CYS 34 0.895 4.820 5.443
248 HA CYS 34 HA CYS 34 -0.097 5.897 3.517
249 HB2 CYS 34 2HB CYS 34 0.256 3.479 3.315
250 HB3 CYS 34 3HB CYS 34 -1.364 3.174 4.011
251 H ILE 35 H ILE 35 -1.535 7.487 3.121
252 HA ILE 35 HA ILE 35 -4.155 7.509 4.355
253 HB ILE 35 HB ILE 35 -4.571 9.542 3.265
254 HG12 ILE 35 2HG1 ILE 35 -2.039 9.183 1.599
255 HG13 ILE 35 3HG1 ILE 35 -3.685 8.966 0.993
256 HG21 ILE 35 1HG2 ILE 35 -1.636 9.571 4.081
257 HG22 ILE 35 2HG2 ILE 35 -2.820 10.881 4.214
258 HG23 ILE 35 3HG2 ILE 35 -2.994 9.446 5.223
259 HD11 ILE 35 1HD1 ILE 35 -2.452 11.545 1.999
260 HD12 ILE 35 2HD1 ILE 35 -3.040 11.166 0.374
261 HD13 ILE 35 3HD1 ILE 35 -4.198 11.339 1.703
262 H THR 36 H THR 36 -3.079 5.722 1.720
263 HA THR 36 HA THR 36 -5.498 5.890 0.065
264 HB THR 36 HB THR 36 -3.106 4.025 -0.162
265 HG1 THR 36 HG1 THR 36 -2.137 5.491 -1.257
266 HG21 THR 36 1HG2 THR 36 -4.906 3.311 -1.648
267 HG22 THR 36 2HG2 THR 36 -5.089 4.973 -2.266
268 HG23 THR 36 3HG2 THR 36 -3.604 4.045 -2.577
269 H VAL 37 H VAL 37 -4.360 3.844 2.714
270 HA VAL 37 HA VAL 37 -6.729 2.100 2.382
271 HB VAL 37 HB VAL 37 -4.856 1.154 1.033
272 HG11 VAL 37 1HG1 VAL 37 -3.460 0.684 3.703
273 HG12 VAL 37 2HG1 VAL 37 -2.952 0.073 2.116
274 HG13 VAL 37 3HG1 VAL 37 -2.932 1.809 2.433
275 HG21 VAL 37 1HG2 VAL 37 -6.646 -0.292 2.015
276 HG22 VAL 37 2HG2 VAL 37 -5.107 -1.111 1.681
277 HG23 VAL 37 3HG2 VAL 37 -5.518 -0.673 3.344
278 H GLU 38 H GLU 38 -7.250 0.772 4.189
279 HA GLU 38 HA GLU 38 -6.867 1.770 6.781
280 HB2 GLU 38 2HB GLU 38 -7.814 -0.296 7.594
281 HB3 GLU 38 3HB GLU 38 -8.706 0.292 6.192
282 HG2 GLU 38 2HG GLU 38 -7.616 -1.395 4.777
283 HG3 GLU 38 3HG GLU 38 -6.632 -1.931 6.148
284 H SER 39 H SER 39 -5.474 1.520 8.383
285 HA SER 39 HA SER 39 -2.906 0.112 7.828
286 HB2 SER 39 2HB SER 39 -1.776 2.250 8.390
287 HB3 SER 39 3HB SER 39 -2.847 2.396 6.996
288 HG SER 39 HG SER 39 -3.146 3.347 9.633
289 HA PRO 40 HA PRO 40 -0.598 1.023 9.549
290 HB2 PRO 40 2HB PRO 40 0.196 -1.403 11.100
291 HB3 PRO 40 3HB PRO 40 0.977 0.193 11.007
292 HG2 PRO 40 2HG PRO 40 -0.468 -0.429 13.191
293 HG3 PRO 40 3HG PRO 40 -0.685 1.183 12.430
294 HD2 PRO 40 2HD PRO 40 -2.346 -1.330 11.990
295 HD3 PRO 40 3HD PRO 40 -2.906 0.294 12.464
296 H ILE 41 H ILE 41 0.790 0.096 7.975
297 HA ILE 41 HA ILE 41 0.339 -2.704 7.058
298 HB ILE 41 HB ILE 41 0.708 -2.021 4.726
299 HG12 ILE 41 2HG1 ILE 41 0.291 0.856 5.635
300 HG13 ILE 41 3HG1 ILE 41 1.858 0.170 5.197
301 HG21 ILE 41 1HG2 ILE 41 -1.732 -0.646 5.899
302 HG22 ILE 41 2HG2 ILE 41 -1.545 -1.313 4.269
303 HG23 ILE 41 3HG2 ILE 41 -1.565 -2.402 5.655
304 HD11 ILE 41 1HD1 ILE 41 0.861 -0.369 2.911
305 HD12 ILE 41 2HD1 ILE 41 -0.537 0.619 3.383
306 HD13 ILE 41 3HD1 ILE 41 1.077 1.347 3.288
307 H SER 42 H SER 42 2.268 -3.328 5.508
308 HA SER 42 HA SER 42 4.843 -2.665 6.818
309 HB2 SER 42 2HB SER 42 4.213 -5.021 6.124
310 HB3 SER 42 3HB SER 42 4.344 -4.490 4.442
311 HG SER 42 HG SER 42 6.298 -5.442 5.609
312 H GLU 43 H GLU 43 6.730 -2.403 5.173
313 HA GLU 43 HA GLU 43 6.267 -0.195 3.283
314 HB2 GLU 43 2HB GLU 43 8.625 -0.293 2.908
315 HB3 GLU 43 3HB GLU 43 8.342 -0.342 4.641
316 HG2 GLU 43 2HG GLU 43 8.793 -2.760 4.701
317 HG3 GLU 43 3HG GLU 43 8.953 -2.774 2.947
318 H ASN 44 H ASN 44 5.548 -3.384 3.073
319 HA ASN 44 HA ASN 44 7.001 -3.929 0.566
320 HB2 ASN 44 2HB ASN 44 7.338 -4.959 3.001
321 HB3 ASN 44 3HB ASN 44 6.027 -6.027 2.496
322 HD21 ASN 44 1HD2 ASN 44 7.041 -7.881 2.359
323 HD22 ASN 44 2HD2 ASN 44 8.468 -8.121 1.368
324 H GLY 45 H GLY 45 3.671 -3.708 1.422
325 HA2 GLY 45 2HA GLY 45 2.680 -5.722 -0.485
326 HA3 GLY 45 3HA GLY 45 1.727 -4.610 0.493
327 H TRP 46 H TRP 46 0.651 -4.703 -1.779
328 HA TRP 46 HA TRP 46 1.334 -2.136 -3.067
329 HB2 TRP 46 2HB TRP 46 2.484 -3.830 -4.447
330 HB3 TRP 46 3HB TRP 46 0.979 -4.713 -4.637
331 HD1 TRP 46 HD1 TRP 46 2.616 -1.398 -5.664
332 HE1 TRP 46 HE1 TRP 46 1.560 -0.537 -7.850
333 HE3 TRP 46 HE3 TRP 46 -1.125 -4.855 -6.169
334 HZ2 TRP 46 HZ2 TRP 46 -0.597 -1.297 -9.604
335 HZ3 TRP 46 HZ3 TRP 46 -2.665 -4.765 -8.119
336 HH2 TRP 46 HH2 TRP 46 -2.390 -3.010 -9.852
337 H CYS 47 H CYS 47 -0.409 -0.939 -3.635
338 HA CYS 47 HA CYS 47 -3.110 -2.161 -3.443
339 HB2 CYS 47 2HB CYS 47 -3.947 0.040 -3.010
340 HB3 CYS 47 3HB CYS 47 -2.578 -0.234 -1.935
341 H ARG 48 H ARG 48 -4.642 -1.767 -5.000
342 HA ARG 48 HA ARG 48 -3.640 -1.538 -7.740
343 HB2 ARG 48 2HB ARG 48 -5.562 -3.073 -6.660
344 HB3 ARG 48 3HB ARG 48 -6.570 -1.668 -7.039
345 HG2 ARG 48 2HG ARG 48 -5.571 -1.860 -9.407
346 HG3 ARG 48 3HG ARG 48 -5.006 -3.459 -8.926
347 HD2 ARG 48 2HD ARG 48 -7.880 -2.443 -8.864
348 HD3 ARG 48 3HD ARG 48 -7.230 -3.473 -10.119
349 HE ARG 48 HE ARG 48 -8.300 -4.287 -7.594
350 HH11 ARG 48 1HH1 ARG 48 -5.996 -5.330 -10.048
351 HH12 ARG 48 2HH1 ARG 48 -5.804 -6.897 -9.273
352 HH21 ARG 48 1HH2 ARG 48 -8.272 -6.419 -6.932
353 HH22 ARG 48 2HH2 ARG 48 -7.306 -7.563 -7.820
354 H LEU 49 H LEU 49 -3.743 0.890 -5.793
355 HA LEU 49 HA LEU 49 -5.497 2.735 -7.342
356 HB2 LEU 49 2HB LEU 49 -4.430 2.670 -4.543
357 HB3 LEU 49 3HB LEU 49 -4.678 4.245 -5.254
358 HG LEU 49 HG LEU 49 -6.578 3.396 -3.890
359 HD11 LEU 49 1HD1 LEU 49 -7.252 4.015 -6.800
360 HD12 LEU 49 2HD1 LEU 49 -8.321 4.201 -5.400
361 HD13 LEU 49 3HD1 LEU 49 -6.873 5.204 -5.533
362 HD21 LEU 49 1HD2 LEU 49 -6.539 1.023 -4.722
363 HD22 LEU 49 2HD2 LEU 49 -8.138 1.797 -4.750
364 HD23 LEU 49 3HD2 LEU 49 -7.233 1.595 -6.255
365 H TYR 50 H TYR 50 -3.560 1.897 -8.862
366 HA TYR 50 HA TYR 50 -1.745 2.378 -10.114
367 HB2 TYR 50 2HB TYR 50 -2.678 5.230 -9.728
368 HB3 TYR 50 3HB TYR 50 -1.702 4.610 -11.058
369 HD1 TYR 50 HD1 TYR 50 -2.730 2.533 -12.372
370 HD2 TYR 50 HD2 TYR 50 -5.032 5.363 -10.064
371 HE1 TYR 50 HE1 TYR 50 -4.795 1.817 -13.545
372 HE2 TYR 50 HE2 TYR 50 -7.097 4.648 -11.266
373 HH TYR 50 HH TYR 50 -7.089 1.936 -13.605
374 H ALA 51 H ALA 51 -1.004 1.967 -7.411
375 HA ALA 51 HA ALA 51 1.074 3.744 -6.591
376 HB1 ALA 51 1HB ALA 51 0.412 0.825 -6.064
377 HB2 ALA 51 2HB ALA 51 1.800 1.631 -5.322
378 HB3 ALA 51 3HB ALA 51 0.150 2.223 -5.014
379 H GLY 52 H GLY 52 2.959 4.177 -7.543
380 HA2 GLY 52 2HA GLY 52 5.056 2.694 -8.183
381 HA3 GLY 52 3HA GLY 52 4.100 2.442 -9.641
382 H LYS 53 H LYS 53 6.624 3.655 -9.622
383 HA LYS 53 HA LYS 53 6.200 6.544 -10.072
384 HB2 LYS 53 2HB LYS 53 8.620 4.792 -9.639
385 HB3 LYS 53 3HB LYS 53 8.785 6.320 -10.498
386 HG2 LYS 53 2HG LYS 53 9.282 6.698 -8.217
387 HG3 LYS 53 3HG LYS 53 7.782 7.554 -8.612
388 HD2 LYS 53 2HD LYS 53 6.488 5.730 -7.510
389 HD3 LYS 53 3HD LYS 53 7.998 4.920 -7.093
390 HE2 LYS 53 2HE LYS 53 7.110 7.703 -6.197
391 HE3 LYS 53 3HE LYS 53 7.045 6.233 -5.219
392 HZ1 LYS 53 1HZ LYS 53 9.498 6.094 -5.490
393 HZ2 LYS 53 2HZ LYS 53 9.480 7.609 -6.176
394 HZ3 LYS 53 3HZ LYS 53 8.986 7.379 -4.620
395 H ALA 54 H ALA 54 5.794 7.275 -11.817
396 HA ALA 54 HA ALA 54 5.410 7.742 -14.003
397 HB1 ALA 54 1HB ALA 54 8.176 6.571 -14.425
398 HB2 ALA 54 2HB ALA 54 7.332 7.719 -15.473
399 HB3 ALA 54 3HB ALA 54 7.820 8.212 -13.848
Start of MODEL 10
1 H1 VAL 1 1H VAL 1 -10.682 13.702 10.651
2 H2 VAL 1 2H VAL 1 -9.163 13.825 11.258
3 H3 VAL 1 3H VAL 1 -10.049 12.466 11.539
4 HA VAL 1 HA VAL 1 -9.138 13.379 8.899
5 HB VAL 1 HB VAL 1 -7.757 11.268 8.889
6 HG11 VAL 1 1HG1 VAL 1 -6.923 13.493 10.780
7 HG12 VAL 1 2HG1 VAL 1 -5.848 12.346 9.962
8 HG13 VAL 1 3HG1 VAL 1 -6.787 13.507 9.012
9 HG21 VAL 1 1HG2 VAL 1 -8.697 10.179 10.938
10 HG22 VAL 1 2HG2 VAL 1 -6.940 10.361 10.974
11 HG23 VAL 1 3HG2 VAL 1 -7.948 11.459 11.925
12 H THR 2 H THR 2 -9.712 12.219 7.140
13 HA THR 2 HA THR 2 -12.291 11.028 7.170
14 HB THR 2 HB THR 2 -10.135 11.156 5.034
15 HG1 THR 2 HG1 THR 2 -11.338 12.908 4.359
16 HG21 THR 2 1HG2 THR 2 -12.037 10.972 3.411
17 HG22 THR 2 2HG2 THR 2 -11.702 9.472 4.272
18 HG23 THR 2 3HG2 THR 2 -13.095 10.474 4.749
19 H LYS 3 H LYS 3 -13.060 8.985 6.875
20 HA LYS 3 HA LYS 3 -11.356 6.688 7.612
21 HB2 LYS 3 2HB LYS 3 -13.617 7.061 8.594
22 HB3 LYS 3 3HB LYS 3 -14.321 6.924 6.984
23 HG2 LYS 3 2HG LYS 3 -14.712 4.891 8.169
24 HG3 LYS 3 3HG LYS 3 -13.569 4.547 6.870
25 HD2 LYS 3 2HD LYS 3 -11.705 4.585 8.493
26 HD3 LYS 3 3HD LYS 3 -12.824 5.029 9.796
27 HE2 LYS 3 2HE LYS 3 -13.986 2.919 9.620
28 HE3 LYS 3 3HE LYS 3 -13.118 2.490 8.139
29 HZ1 LYS 3 1HZ LYS 3 -11.808 2.855 10.779
30 HZ2 LYS 3 2HZ LYS 3 -12.191 1.394 10.112
31 HZ3 LYS 3 3HZ LYS 3 -11.074 2.343 9.399
32 H LYS 4 H LYS 4 -10.697 5.119 6.272
33 HA LYS 4 HA LYS 4 -11.352 5.306 3.363
34 HB2 LYS 4 2HB LYS 4 -8.665 4.597 4.601
35 HB3 LYS 4 3HB LYS 4 -9.037 4.688 2.876
36 HG2 LYS 4 2HG LYS 4 -9.977 7.125 3.800
37 HG3 LYS 4 3HG LYS 4 -8.570 6.862 4.817
38 HD2 LYS 4 2HD LYS 4 -7.944 8.214 2.949
39 HD3 LYS 4 3HD LYS 4 -7.173 6.629 2.740
40 HE2 LYS 4 2HE LYS 4 -8.766 5.966 1.093
41 HE3 LYS 4 3HE LYS 4 -9.875 7.287 1.479
42 HZ1 LYS 4 1HZ LYS 4 -7.178 7.784 0.375
43 HZ2 LYS 4 2HZ LYS 4 -8.485 7.622 -0.580
44 HZ3 LYS 4 3HZ LYS 4 -8.426 8.858 0.504
45 H ALA 5 H ALA 5 -10.710 3.528 2.094
46 HA ALA 5 HA ALA 5 -12.388 1.336 2.596
47 HB1 ALA 5 1HB ALA 5 -10.119 1.602 0.584
48 HB2 ALA 5 2HB ALA 5 -11.439 0.426 0.494
49 HB3 ALA 5 3HB ALA 5 -11.798 2.154 0.356
50 H SER 6 H SER 6 -12.070 -0.887 2.847
51 HA SER 6 HA SER 6 -9.866 -1.734 4.587
52 HB2 SER 6 2HB SER 6 -11.104 -3.837 4.690
53 HB3 SER 6 3HB SER 6 -12.206 -2.482 4.961
54 HG SER 6 HG SER 6 -13.134 -3.906 3.520
55 H HIS 7 H HIS 7 -8.585 -3.676 4.069
56 HA HIS 7 HA HIS 7 -7.422 -3.650 1.424
57 HB2 HIS 7 2HB HIS 7 -7.211 -5.537 3.791
58 HB3 HIS 7 3HB HIS 7 -6.338 -5.809 2.284
59 HD2 HIS 7 HD2 HIS 7 -6.498 -3.272 5.210
60 HE1 HIS 7 HE1 HIS 7 -3.078 -2.257 2.881
61 HE2 HIS 7 HE2 HIS 7 -4.378 -1.718 4.997
62 H LYS 8 H LYS 8 -10.231 -5.299 2.613
63 HA LYS 8 HA LYS 8 -10.525 -7.175 0.398
64 HB2 LYS 8 2HB LYS 8 -11.554 -7.432 2.681
65 HB3 LYS 8 3HB LYS 8 -12.624 -6.090 2.285
66 HG2 LYS 8 2HG LYS 8 -13.876 -7.962 1.825
67 HG3 LYS 8 3HG LYS 8 -13.353 -7.462 0.225
68 HD2 LYS 8 2HD LYS 8 -11.560 -9.225 0.293
69 HD3 LYS 8 3HD LYS 8 -12.140 -9.721 1.897
70 HE2 LYS 8 2HE LYS 8 -14.381 -10.221 0.906
71 HE3 LYS 8 3HE LYS 8 -13.765 -9.748 -0.682
72 HZ1 LYS 8 1HZ LYS 8 -12.107 -11.530 -0.472
73 HZ2 LYS 8 2HZ LYS 8 -12.807 -12.055 0.931
74 HZ3 LYS 8 3HZ LYS 8 -13.632 -12.100 -0.506
75 H ASP 9 H ASP 9 -12.223 -4.127 1.190
76 HA ASP 9 HA ASP 9 -13.609 -3.795 -1.256
77 HB2 ASP 9 2HB ASP 9 -13.926 -2.537 0.913
78 HB3 ASP 9 3HB ASP 9 -12.515 -1.609 0.513
79 H ALA 10 H ALA 10 -10.448 -2.519 -0.302
80 HA ALA 10 HA ALA 10 -9.905 -1.196 -2.810
81 HB1 ALA 10 1HB ALA 10 -7.783 -0.619 -1.766
82 HB2 ALA 10 2HB ALA 10 -9.099 -0.431 -0.596
83 HB3 ALA 10 3HB ALA 10 -8.030 -1.850 -0.510
84 H GLY 11 H GLY 11 -9.788 -4.524 -2.326
85 HA2 GLY 11 2HA GLY 11 -9.028 -6.173 -3.734
86 HA3 GLY 11 3HA GLY 11 -8.568 -4.910 -4.872
87 H TYR 12 H TYR 12 -7.135 -5.296 -1.615
88 HA TYR 12 HA TYR 12 -4.423 -5.490 -2.568
89 HB2 TYR 12 2HB TYR 12 -4.830 -4.690 -0.341
90 HB3 TYR 12 3HB TYR 12 -5.750 -6.129 0.074
91 HD1 TYR 12 HD1 TYR 12 -2.298 -4.841 -0.513
92 HD2 TYR 12 HD2 TYR 12 -4.717 -8.182 0.768
93 HE1 TYR 12 HE1 TYR 12 -0.269 -5.979 0.381
94 HE2 TYR 12 HE2 TYR 12 -2.678 -9.318 1.633
95 HH TYR 12 HH TYR 12 0.501 -7.747 1.705
96 H GLN 13 H GLN 13 -3.101 -7.212 -2.880
97 HA GLN 13 HA GLN 13 -4.368 -9.864 -3.377
98 HB2 GLN 13 2HB GLN 13 -2.437 -10.147 -4.993
99 HB3 GLN 13 3HB GLN 13 -3.670 -8.997 -5.423
100 HG2 GLN 13 2HG GLN 13 -2.159 -7.122 -4.589
101 HG3 GLN 13 3HG GLN 13 -0.900 -8.340 -4.336
102 HE21 GLN 13 1HE2 GLN 13 0.244 -6.846 -5.626
103 HE22 GLN 13 2HE2 GLN 13 0.193 -7.195 -7.352
104 H GLU 14 H GLU 14 -3.143 -11.753 -3.143
105 HA GLU 14 HA GLU 14 -1.873 -11.963 -0.606
106 HB2 GLU 14 2HB GLU 14 -1.621 -14.291 -1.123
107 HB3 GLU 14 3HB GLU 14 -3.186 -13.740 -1.700
108 HG2 GLU 14 2HG GLU 14 -2.720 -14.487 -3.764
109 HG3 GLU 14 3HG GLU 14 -1.353 -13.403 -3.899
110 H SER 15 H SER 15 -0.384 -11.048 -3.586
111 HA SER 15 HA SER 15 2.283 -11.294 -2.355
112 HB2 SER 15 2HB SER 15 3.094 -12.389 -4.617
113 HB3 SER 15 3HB SER 15 2.517 -13.346 -3.256
114 HG SER 15 HG SER 15 0.849 -13.942 -4.345
115 HA PRO 16 HA PRO 16 3.027 -7.530 -3.968
116 HB2 PRO 16 2HB PRO 16 5.747 -7.398 -4.364
117 HB3 PRO 16 3HB PRO 16 4.955 -7.515 -2.762
118 HG2 PRO 16 2HG PRO 16 6.153 -9.736 -4.434
119 HG3 PRO 16 3HG PRO 16 6.383 -9.414 -2.684
120 HD2 PRO 16 2HD PRO 16 4.614 -11.251 -3.601
121 HD3 PRO 16 3HD PRO 16 4.236 -10.277 -2.160
122 H ASN 17 H ASN 17 3.178 -6.186 -5.722
123 HA ASN 17 HA ASN 17 3.168 -7.406 -8.399
124 HB2 ASN 17 2HB ASN 17 1.474 -5.704 -7.723
125 HB3 ASN 17 3HB ASN 17 2.745 -4.524 -7.519
126 HD21 ASN 17 1HD2 ASN 17 1.286 -3.406 -9.088
127 HD22 ASN 17 2HD2 ASN 17 1.555 -3.673 -10.800
128 H GLY 18 H GLY 18 5.534 -8.023 -7.759
129 HA2 GLY 18 2HA GLY 18 7.816 -7.797 -8.032
130 HA3 GLY 18 3HA GLY 18 7.368 -6.908 -9.487
131 H ALA 19 H ALA 19 8.360 -5.054 -9.599
132 HA ALA 19 HA ALA 19 9.630 -3.736 -7.365
133 HB1 ALA 19 1HB ALA 19 9.331 -2.918 -10.286
134 HB2 ALA 19 2HB ALA 19 10.470 -2.222 -9.115
135 HB3 ALA 19 3HB ALA 19 10.636 -3.918 -9.605
136 H LYS 20 H LYS 20 6.353 -3.362 -8.506
137 HA LYS 20 HA LYS 20 6.227 -0.464 -7.891
138 HB2 LYS 20 2HB LYS 20 4.013 -2.468 -8.536
139 HB3 LYS 20 3HB LYS 20 3.813 -0.743 -8.275
140 HG2 LYS 20 2HG LYS 20 3.895 -0.659 -10.513
141 HG3 LYS 20 3HG LYS 20 5.634 -0.548 -10.229
142 HD2 LYS 20 2HD LYS 20 5.843 -3.000 -10.675
143 HD3 LYS 20 3HD LYS 20 4.083 -3.103 -10.869
144 HE2 LYS 20 2HE LYS 20 4.278 -1.372 -12.720
145 HE3 LYS 20 3HE LYS 20 6.036 -1.541 -12.606
146 HZ1 LYS 20 1HZ LYS 20 4.098 -3.684 -13.309
147 HZ2 LYS 20 2HZ LYS 20 5.206 -3.013 -14.319
148 HZ3 LYS 20 3HZ LYS 20 5.665 -3.967 -13.049
149 H ARG 21 H ARG 21 6.611 -0.019 -5.761
150 HA ARG 21 HA ARG 21 5.179 -1.608 -3.654
151 HB2 ARG 21 2HB ARG 21 7.231 -2.685 -3.899
152 HB3 ARG 21 3HB ARG 21 8.137 -1.193 -4.132
153 HG2 ARG 21 2HG ARG 21 8.110 -0.630 -1.849
154 HG3 ARG 21 3HG ARG 21 6.789 -1.744 -1.469
155 HD2 ARG 21 2HD ARG 21 8.336 -3.650 -2.072
156 HD3 ARG 21 3HD ARG 21 9.635 -2.473 -2.335
157 HE ARG 21 HE ARG 21 8.667 -1.989 0.263
158 HH11 ARG 21 1HH1 ARG 21 10.058 -4.785 -1.386
159 HH12 ARG 21 2HH1 ARG 21 10.887 -5.293 0.018
160 HH21 ARG 21 1HH2 ARG 21 9.933 -2.762 2.066
161 HH22 ARG 21 2HH2 ARG 21 10.419 -4.445 1.963
162 H CYS 22 H CYS 22 4.518 -0.656 -1.888
163 HA CYS 22 HA CYS 22 4.051 2.006 -1.497
164 HB2 CYS 22 2HB CYS 22 4.492 -0.282 0.463
165 HB3 CYS 22 3HB CYS 22 3.806 1.287 0.906
166 H GLY 23 H GLY 23 7.040 0.362 -0.339
167 HA2 GLY 23 2HA GLY 23 8.266 2.301 1.144
168 HA3 GLY 23 3HA GLY 23 9.136 1.226 0.052
169 H THR 24 H THR 24 7.933 2.555 -2.416
170 HA THR 24 HA THR 24 9.258 5.240 -2.234
171 HB THR 24 HB THR 24 9.215 3.619 -4.783
172 HG1 THR 24 HG1 THR 24 10.495 2.517 -3.393
173 HG21 THR 24 1HG2 THR 24 10.634 6.147 -3.884
174 HG22 THR 24 2HG2 THR 24 11.259 5.148 -5.213
175 HG23 THR 24 3HG2 THR 24 9.674 5.887 -5.350
176 H CYS 25 H CYS 25 6.388 4.475 -1.761
177 HA CYS 25 HA CYS 25 4.822 5.487 -3.952
178 HB2 CYS 25 2HB CYS 25 3.810 4.072 -2.289
179 HB3 CYS 25 3HB CYS 25 4.291 5.140 -0.979
180 H ARG 26 H ARG 26 3.737 7.369 -4.227
181 HA ARG 26 HA ARG 26 4.867 9.880 -3.895
182 HB2 ARG 26 2HB ARG 26 2.701 10.851 -4.338
183 HB3 ARG 26 3HB ARG 26 3.072 9.552 -5.441
184 HG2 ARG 26 2HG ARG 26 1.211 9.109 -3.055
185 HG3 ARG 26 3HG ARG 26 0.659 9.833 -4.564
186 HD2 ARG 26 2HD ARG 26 1.455 7.865 -5.821
187 HD3 ARG 26 3HD ARG 26 1.925 7.095 -4.323
188 HE ARG 26 HE ARG 26 -0.934 7.856 -4.866
189 HH11 ARG 26 1HH1 ARG 26 1.251 5.428 -3.646
190 HH12 ARG 26 2HH1 ARG 26 0.093 4.163 -3.848
191 HH21 ARG 26 1HH2 ARG 26 -2.428 6.204 -4.843
192 HH22 ARG 26 2HH2 ARG 26 -1.929 4.584 -4.352
193 H GLN 27 H GLN 27 2.802 8.280 -1.467
194 HA GLN 27 HA GLN 27 3.638 10.288 0.534
195 HB2 GLN 27 2HB GLN 27 0.730 9.891 -0.230
196 HB3 GLN 27 3HB GLN 27 1.288 10.713 1.228
197 HG2 GLN 27 2HG GLN 27 2.508 12.370 -0.218
198 HG3 GLN 27 3HG GLN 27 1.721 11.637 -1.631
199 HE21 GLN 27 1HE2 GLN 27 0.947 13.105 1.568
200 HE22 GLN 27 2HE2 GLN 27 -0.571 13.820 0.995
201 H PHE 28 H PHE 28 4.713 8.107 1.060
202 HA PHE 28 HA PHE 28 3.009 6.130 2.434
203 HB2 PHE 28 2HB PHE 28 4.918 5.370 1.156
204 HB3 PHE 28 3HB PHE 28 6.010 6.408 2.061
205 HD1 PHE 28 HD1 PHE 28 3.611 3.540 2.518
206 HD2 PHE 28 HD2 PHE 28 7.121 5.566 3.971
207 HE1 PHE 28 HE1 PHE 28 3.940 1.755 4.218
208 HE2 PHE 28 HE2 PHE 28 7.449 3.773 5.670
209 HZ PHE 28 HZ PHE 28 5.850 1.882 5.802
210 H ARG 29 H ARG 29 4.833 8.957 3.398
211 HA ARG 29 HA ARG 29 5.579 9.790 5.414
212 HB2 ARG 29 2HB ARG 29 3.338 10.533 5.143
213 HB3 ARG 29 3HB ARG 29 2.692 9.114 5.930
214 HG2 ARG 29 2HG ARG 29 2.707 11.162 7.373
215 HG3 ARG 29 3HG ARG 29 3.563 9.812 8.087
216 HD2 ARG 29 2HD ARG 29 4.811 11.844 8.460
217 HD3 ARG 29 3HD ARG 29 5.737 10.782 7.415
218 HE ARG 29 HE ARG 29 4.054 12.747 6.002
219 HH11 ARG 29 1HH1 ARG 29 7.293 12.320 7.447
220 HH12 ARG 29 2HH1 ARG 29 7.878 13.709 6.552
221 HH21 ARG 29 1HH2 ARG 29 5.120 14.345 4.749
222 HH22 ARG 29 2HH2 ARG 29 6.774 14.733 5.185
223 HA PRO 30 HA PRO 30 7.001 5.873 7.363
224 HB2 PRO 30 2HB PRO 30 9.216 7.835 7.987
225 HB3 PRO 30 3HB PRO 30 9.340 6.094 7.588
226 HG2 PRO 30 2HG PRO 30 9.826 7.956 5.689
227 HG3 PRO 30 3HG PRO 30 8.836 6.516 5.287
228 HD2 PRO 30 2HD PRO 30 7.907 9.318 5.957
229 HD3 PRO 30 3HD PRO 30 7.332 8.215 4.671
230 HA PRO 31 HA PRO 31 8.104 4.703 9.231
231 HB2 PRO 31 2HB PRO 31 7.059 3.136 11.190
232 HB3 PRO 31 3HB PRO 31 8.339 4.348 11.498
233 HG2 PRO 31 2HG PRO 31 5.350 4.662 11.914
234 HG3 PRO 31 3HG PRO 31 6.676 5.043 13.062
235 HD2 PRO 31 2HD PRO 31 5.530 6.941 11.473
236 HD3 PRO 31 3HD PRO 31 7.272 6.988 11.868
237 H SER 32 H SER 32 4.626 5.314 9.469
238 HA SER 32 HA SER 32 4.071 4.127 7.001
239 HB2 SER 32 2HB SER 32 4.294 1.934 8.133
240 HB3 SER 32 3HB SER 32 3.033 2.421 9.279
241 HG SER 32 HG SER 32 2.678 1.255 7.033
242 H SER 33 H SER 33 2.704 5.678 6.431
243 HA SER 33 HA SER 33 -0.009 5.675 7.588
244 HB2 SER 33 2HB SER 33 1.750 8.100 7.495
245 HB3 SER 33 3HB SER 33 -0.005 8.266 7.352
246 HG SER 33 HG SER 33 -0.302 7.514 9.312
247 H CYS 34 H CYS 34 -0.640 4.662 5.702
248 HA CYS 34 HA CYS 34 -0.024 5.726 3.044
249 HB2 CYS 34 2HB CYS 34 -0.318 3.366 3.259
250 HB3 CYS 34 3HB CYS 34 -1.921 3.542 3.994
251 H ILE 35 H ILE 35 -1.504 6.449 1.489
252 HA ILE 35 HA ILE 35 -3.638 8.263 2.534
253 HB ILE 35 HB ILE 35 -3.476 9.416 0.383
254 HG12 ILE 35 2HG1 ILE 35 -0.916 7.868 -0.183
255 HG13 ILE 35 3HG1 ILE 35 -2.467 7.349 -0.844
256 HG21 ILE 35 1HG2 ILE 35 -0.825 9.261 1.835
257 HG22 ILE 35 2HG2 ILE 35 -1.467 10.638 0.915
258 HG23 ILE 35 3HG2 ILE 35 -2.248 10.145 2.419
259 HD11 ILE 35 1HD1 ILE 35 -1.253 10.089 -1.313
260 HD12 ILE 35 2HD1 ILE 35 -1.263 8.730 -2.456
261 HD13 ILE 35 3HD1 ILE 35 -2.788 9.491 -1.962
262 H THR 36 H THR 36 -3.440 5.230 1.005
263 HA THR 36 HA THR 36 -5.950 5.690 -0.574
264 HB THR 36 HB THR 36 -3.912 3.455 -0.836
265 HG1 THR 36 HG1 THR 36 -2.852 4.929 -1.786
266 HG21 THR 36 1HG2 THR 36 -6.298 4.325 -2.529
267 HG22 THR 36 2HG2 THR 36 -5.014 3.244 -3.109
268 HG23 THR 36 3HG2 THR 36 -6.046 2.744 -1.760
269 H VAL 37 H VAL 37 -4.520 3.331 1.700
270 HA VAL 37 HA VAL 37 -7.220 2.120 2.145
271 HB VAL 37 HB VAL 37 -5.782 0.935 0.465
272 HG11 VAL 37 1HG1 VAL 37 -3.898 -0.420 1.201
273 HG12 VAL 37 2HG1 VAL 37 -3.565 1.289 1.496
274 HG13 VAL 37 3HG1 VAL 37 -4.023 0.235 2.848
275 HG21 VAL 37 1HG2 VAL 37 -7.571 -0.254 1.660
276 HG22 VAL 37 2HG2 VAL 37 -6.209 -1.296 1.226
277 HG23 VAL 37 3HG2 VAL 37 -6.400 -0.769 2.898
278 H GLU 38 H GLU 38 -7.261 0.697 4.123
279 HA GLU 38 HA GLU 38 -6.572 2.033 6.454
280 HB2 GLU 38 2HB GLU 38 -7.147 -0.842 5.874
281 HB3 GLU 38 3HB GLU 38 -6.672 -0.418 7.489
282 HG2 GLU 38 2HG GLU 38 -8.974 0.900 6.011
283 HG3 GLU 38 3HG GLU 38 -9.140 -0.444 7.123
284 H SER 39 H SER 39 -5.210 1.903 7.992
285 HA SER 39 HA SER 39 -2.378 1.227 7.355
286 HB2 SER 39 2HB SER 39 -3.248 3.388 6.336
287 HB3 SER 39 3HB SER 39 -3.359 4.000 7.990
288 HG SER 39 HG SER 39 -1.225 3.997 8.163
289 HA PRO 40 HA PRO 40 -0.163 2.276 8.738
290 HB2 PRO 40 2HB PRO 40 1.494 0.709 10.221
291 HB3 PRO 40 3HB PRO 40 0.952 2.343 10.708
292 HG2 PRO 40 2HG PRO 40 -0.216 -0.328 11.552
293 HG3 PRO 40 3HG PRO 40 0.249 1.059 12.592
294 HD2 PRO 40 2HD PRO 40 -2.318 0.709 11.823
295 HD3 PRO 40 3HD PRO 40 -1.601 2.345 11.864
296 H ILE 41 H ILE 41 0.508 1.355 6.961
297 HA ILE 41 HA ILE 41 -0.200 -1.454 6.354
298 HB ILE 41 HB ILE 41 -0.915 0.441 4.837
299 HG12 ILE 41 2HG1 ILE 41 0.718 -1.838 3.647
300 HG13 ILE 41 3HG1 ILE 41 -0.976 -1.877 4.141
301 HG21 ILE 41 1HG2 ILE 41 2.001 0.441 3.950
302 HG22 ILE 41 2HG2 ILE 41 0.685 1.394 3.267
303 HG23 ILE 41 3HG2 ILE 41 1.238 1.735 4.908
304 HD11 ILE 41 1HD1 ILE 41 0.219 -0.334 1.813
305 HD12 ILE 41 2HD1 ILE 41 -0.915 -1.687 1.759
306 HD13 ILE 41 3HD1 ILE 41 -1.450 -0.115 2.390
307 H SER 42 H SER 42 1.361 -2.980 5.642
308 HA SER 42 HA SER 42 4.137 -2.570 6.442
309 HB2 SER 42 2HB SER 42 2.834 -4.695 4.715
310 HB3 SER 42 3HB SER 42 4.539 -4.704 5.208
311 HG SER 42 HG SER 42 3.112 -5.926 6.607
312 H GLU 43 H GLU 43 5.870 -2.006 5.231
313 HA GLU 43 HA GLU 43 5.431 -0.208 3.093
314 HB2 GLU 43 2HB GLU 43 7.863 0.070 3.083
315 HB3 GLU 43 3HB GLU 43 7.195 0.118 4.712
316 HG2 GLU 43 2HG GLU 43 8.062 -1.979 5.309
317 HG3 GLU 43 3HG GLU 43 8.270 -2.475 3.629
318 H ASN 44 H ASN 44 5.199 -3.346 2.601
319 HA ASN 44 HA ASN 44 6.484 -3.493 -0.074
320 HB2 ASN 44 2HB ASN 44 5.523 -5.897 0.058
321 HB3 ASN 44 3HB ASN 44 6.921 -5.466 1.031
322 HD21 ASN 44 1HD2 ASN 44 6.829 -6.840 2.647
323 HD22 ASN 44 2HD2 ASN 44 5.544 -6.778 3.830
324 H GLY 45 H GLY 45 3.263 -4.057 1.345
325 HA2 GLY 45 2HA GLY 45 1.128 -3.779 0.547
326 HA3 GLY 45 3HA GLY 45 1.736 -2.169 0.282
327 H TRP 46 H TRP 46 1.884 -1.431 -1.722
328 HA TRP 46 HA TRP 46 1.306 -1.000 -3.851
329 HB2 TRP 46 2HB TRP 46 2.338 -3.129 -4.680
330 HB3 TRP 46 3HB TRP 46 0.806 -3.917 -4.397
331 HD1 TRP 46 HD1 TRP 46 2.278 -1.150 -6.605
332 HE1 TRP 46 HE1 TRP 46 0.858 -0.931 -8.763
333 HE3 TRP 46 HE3 TRP 46 -1.451 -4.457 -5.468
334 HZ2 TRP 46 HZ2 TRP 46 -1.460 -2.165 -9.894
335 HZ3 TRP 46 HZ3 TRP 46 -3.263 -4.919 -7.109
336 HH2 TRP 46 HH2 TRP 46 -3.280 -3.782 -9.321
337 H CYS 47 H CYS 47 -0.443 0.207 -3.744
338 HA CYS 47 HA CYS 47 -3.119 -1.073 -3.600
339 HB2 CYS 47 2HB CYS 47 -4.009 1.182 -3.611
340 HB3 CYS 47 3HB CYS 47 -2.846 0.997 -2.316
341 H ARG 48 H ARG 48 -4.591 -0.722 -5.332
342 HA ARG 48 HA ARG 48 -3.551 -1.154 -7.986
343 HB2 ARG 48 2HB ARG 48 -6.329 -0.364 -7.002
344 HB3 ARG 48 3HB ARG 48 -5.954 -0.828 -8.665
345 HG2 ARG 48 2HG ARG 48 -5.270 -3.064 -7.972
346 HG3 ARG 48 3HG ARG 48 -5.447 -2.646 -6.268
347 HD2 ARG 48 2HD ARG 48 -7.343 -3.970 -6.932
348 HD3 ARG 48 3HD ARG 48 -7.868 -2.336 -6.557
349 HE ARG 48 HE ARG 48 -8.592 -2.066 -8.749
350 HH11 ARG 48 1HH1 ARG 48 -6.688 -5.061 -8.781
351 HH12 ARG 48 2HH1 ARG 48 -6.923 -5.210 -10.510
352 HH21 ARG 48 1HH2 ARG 48 -9.073 -2.519 -10.703
353 HH22 ARG 48 2HH2 ARG 48 -8.545 -4.011 -11.481
354 H LEU 49 H LEU 49 -3.694 1.725 -6.239
355 HA LEU 49 HA LEU 49 -3.843 3.449 -8.657
356 HB2 LEU 49 2HB LEU 49 -4.062 4.168 -5.713
357 HB3 LEU 49 3HB LEU 49 -4.285 5.267 -7.074
358 HG LEU 49 HG LEU 49 -6.069 2.898 -6.363
359 HD11 LEU 49 1HD1 LEU 49 -7.734 4.600 -5.882
360 HD12 LEU 49 2HD1 LEU 49 -6.288 4.891 -4.905
361 HD13 LEU 49 3HD1 LEU 49 -6.599 5.893 -6.337
362 HD21 LEU 49 1HD2 LEU 49 -6.030 3.154 -8.808
363 HD22 LEU 49 2HD2 LEU 49 -7.552 3.736 -8.162
364 HD23 LEU 49 3HD2 LEU 49 -6.305 4.906 -8.646
365 H TYR 50 H TYR 50 -1.399 1.941 -7.089
366 HA TYR 50 HA TYR 50 0.488 3.536 -6.152
367 HB2 TYR 50 2HB TYR 50 0.863 1.218 -6.372
368 HB3 TYR 50 3HB TYR 50 0.769 1.282 -8.125
369 HD1 TYR 50 HD1 TYR 50 2.936 2.099 -5.196
370 HD2 TYR 50 HD2 TYR 50 2.657 1.878 -9.496
371 HE1 TYR 50 HE1 TYR 50 5.406 2.382 -5.386
372 HE2 TYR 50 HE2 TYR 50 5.119 2.175 -9.675
373 HH TYR 50 HH TYR 50 7.218 2.208 -6.796
374 H ALA 51 H ALA 51 1.656 5.217 -6.564
375 HA ALA 51 HA ALA 51 2.971 5.556 -9.131
376 HB1 ALA 51 1HB ALA 51 1.360 7.849 -7.916
377 HB2 ALA 51 2HB ALA 51 2.536 8.006 -9.226
378 HB3 ALA 51 3HB ALA 51 1.064 7.050 -9.462
379 H GLY 52 H GLY 52 4.941 6.732 -8.937
380 HA2 GLY 52 2HA GLY 52 6.149 6.491 -6.294
381 HA3 GLY 52 3HA GLY 52 6.996 6.421 -7.824
382 H LYS 53 H LYS 53 8.521 7.962 -6.962
383 HA LYS 53 HA LYS 53 7.626 10.828 -6.880
384 HB2 LYS 53 2HB LYS 53 10.022 9.323 -5.867
385 HB3 LYS 53 3HB LYS 53 10.296 10.944 -6.493
386 HG2 LYS 53 2HG LYS 53 9.918 10.962 -4.076
387 HG3 LYS 53 3HG LYS 53 8.745 11.934 -4.972
388 HD2 LYS 53 2HD LYS 53 7.047 10.134 -4.713
389 HD3 LYS 53 3HD LYS 53 8.235 9.135 -3.876
390 HE2 LYS 53 2HE LYS 53 6.708 10.193 -2.296
391 HE3 LYS 53 3HE LYS 53 8.352 10.778 -2.038
392 HZ1 LYS 53 1HZ LYS 53 7.786 12.846 -3.028
393 HZ2 LYS 53 2HZ LYS 53 6.395 12.263 -3.700
394 HZ3 LYS 53 3HZ LYS 53 6.491 12.513 -2.090
395 H ALA 54 H ALA 54 7.253 11.536 -8.863
396 HA ALA 54 HA ALA 54 8.293 10.465 -11.241
397 HB1 ALA 54 1HB ALA 54 7.157 13.251 -10.745
398 HB2 ALA 54 2HB ALA 54 7.295 12.449 -12.317
399 HB3 ALA 54 3HB ALA 54 6.210 11.783 -11.081
Start of MODEL 11
1 H1 VAL 1 1H VAL 1 -18.857 6.114 11.462
2 H2 VAL 1 2H VAL 1 -18.802 5.068 12.728
3 H3 VAL 1 3H VAL 1 -18.344 4.584 11.214
4 HA VAL 1 HA VAL 1 -16.998 6.666 12.811
5 HB VAL 1 HB VAL 1 -15.026 5.102 12.791
6 HG11 VAL 1 1HG1 VAL 1 -16.357 5.564 14.801
7 HG12 VAL 1 2HG1 VAL 1 -17.439 4.207 14.408
8 HG13 VAL 1 3HG1 VAL 1 -15.732 3.912 14.785
9 HG21 VAL 1 1HG2 VAL 1 -15.844 3.449 11.101
10 HG22 VAL 1 2HG2 VAL 1 -15.374 2.715 12.635
11 HG23 VAL 1 3HG2 VAL 1 -17.092 2.928 12.260
12 H THR 2 H THR 2 -15.287 7.750 11.903
13 HA THR 2 HA THR 2 -15.007 7.813 8.992
14 HB THR 2 HB THR 2 -13.161 9.028 11.084
15 HG1 THR 2 HG1 THR 2 -14.430 10.897 10.817
16 HG21 THR 2 1HG2 THR 2 -12.761 10.719 9.328
17 HG22 THR 2 2HG2 THR 2 -12.347 9.110 8.733
18 HG23 THR 2 3HG2 THR 2 -13.878 9.875 8.241
19 H LYS 3 H LYS 3 -13.448 6.758 7.785
20 HA LYS 3 HA LYS 3 -11.060 5.575 8.955
21 HB2 LYS 3 2HB LYS 3 -13.316 3.976 9.197
22 HB3 LYS 3 3HB LYS 3 -12.768 3.504 7.601
23 HG2 LYS 3 2HG LYS 3 -11.838 1.976 9.168
24 HG3 LYS 3 3HG LYS 3 -10.500 2.988 8.624
25 HD2 LYS 3 2HD LYS 3 -10.805 4.395 10.726
26 HD3 LYS 3 3HD LYS 3 -12.064 3.273 11.241
27 HE2 LYS 3 2HE LYS 3 -9.109 2.644 10.804
28 HE3 LYS 3 3HE LYS 3 -9.929 2.845 12.356
29 HZ1 LYS 3 1HZ LYS 3 -10.266 0.662 10.405
30 HZ2 LYS 3 2HZ LYS 3 -9.807 0.546 11.965
31 HZ3 LYS 3 3HZ LYS 3 -11.382 0.909 11.583
32 H LYS 4 H LYS 4 -9.631 4.555 7.410
33 HA LYS 4 HA LYS 4 -9.810 5.557 4.638
34 HB2 LYS 4 2HB LYS 4 -7.731 3.857 6.043
35 HB3 LYS 4 3HB LYS 4 -7.645 4.372 4.360
36 HG2 LYS 4 2HG LYS 4 -8.246 6.748 5.545
37 HG3 LYS 4 3HG LYS 4 -7.259 5.991 6.791
38 HD2 LYS 4 2HD LYS 4 -5.441 5.685 5.083
39 HD3 LYS 4 3HD LYS 4 -6.508 6.424 3.849
40 HE2 LYS 4 2HE LYS 4 -6.797 8.406 5.289
41 HE3 LYS 4 3HE LYS 4 -5.725 7.681 6.484
42 HZ1 LYS 4 1HZ LYS 4 -4.507 9.273 5.094
43 HZ2 LYS 4 2HZ LYS 4 -3.939 7.760 4.799
44 HZ3 LYS 4 3HZ LYS 4 -4.974 8.498 3.727
45 H ALA 5 H ALA 5 -9.114 3.827 2.925
46 HA ALA 5 HA ALA 5 -11.357 2.013 2.636
47 HB1 ALA 5 1HB ALA 5 -8.828 2.378 0.979
48 HB2 ALA 5 2HB ALA 5 -10.260 1.455 0.484
49 HB3 ALA 5 3HB ALA 5 -10.380 3.209 0.729
50 H SER 6 H SER 6 -11.424 -0.252 2.647
51 HA SER 6 HA SER 6 -9.535 -1.662 4.341
52 HB2 SER 6 2HB SER 6 -10.869 -3.599 3.953
53 HB3 SER 6 3HB SER 6 -11.965 -2.242 4.183
54 HG SER 6 HG SER 6 -12.516 -3.616 2.401
55 H HIS 7 H HIS 7 -8.455 -3.725 3.610
56 HA HIS 7 HA HIS 7 -6.603 -3.231 1.496
57 HB2 HIS 7 2HB HIS 7 -7.453 -5.843 2.827
58 HB3 HIS 7 3HB HIS 7 -6.163 -5.720 1.649
59 HD2 HIS 7 HD2 HIS 7 -6.403 -3.019 4.441
60 HE1 HIS 7 HE1 HIS 7 -3.053 -5.496 5.287
61 HE2 HIS 7 HE2 HIS 7 -4.324 -3.405 5.986
62 H LYS 8 H LYS 8 -9.575 -5.149 1.528
63 HA LYS 8 HA LYS 8 -9.690 -6.089 -1.148
64 HB2 LYS 8 2HB LYS 8 -11.113 -6.779 0.758
65 HB3 LYS 8 3HB LYS 8 -11.910 -5.211 0.702
66 HG2 LYS 8 2HG LYS 8 -13.329 -6.629 -0.402
67 HG3 LYS 8 3HG LYS 8 -12.577 -5.763 -1.725
68 HD2 LYS 8 2HD LYS 8 -11.093 -7.738 -2.111
69 HD3 LYS 8 3HD LYS 8 -11.874 -8.568 -0.740
70 HE2 LYS 8 2HE LYS 8 -14.075 -8.370 -1.860
71 HE3 LYS 8 3HE LYS 8 -13.308 -7.575 -3.236
72 HZ1 LYS 8 1HZ LYS 8 -12.746 -10.364 -2.352
73 HZ2 LYS 8 2HZ LYS 8 -13.671 -9.930 -3.618
74 HZ3 LYS 8 3HZ LYS 8 -12.057 -9.619 -3.652
75 H ASP 9 H ASP 9 -11.131 -3.092 0.161
76 HA ASP 9 HA ASP 9 -12.207 -2.257 -2.364
77 HB2 ASP 9 2HB ASP 9 -12.701 -1.678 0.233
78 HB3 ASP 9 3HB ASP 9 -11.770 -0.254 -0.184
79 H ALA 10 H ALA 10 -9.181 -1.512 -0.747
80 HA ALA 10 HA ALA 10 -8.319 0.435 -2.784
81 HB1 ALA 10 1HB ALA 10 -6.831 -0.873 -0.471
82 HB2 ALA 10 2HB ALA 10 -6.289 0.527 -1.424
83 HB3 ALA 10 3HB ALA 10 -7.726 0.660 -0.395
84 H GLY 11 H GLY 11 -8.406 -2.962 -2.740
85 HA2 GLY 11 2HA GLY 11 -7.472 -4.605 -4.012
86 HA3 GLY 11 3HA GLY 11 -6.815 -3.381 -5.091
87 H TYR 12 H TYR 12 -6.017 -3.463 -1.672
88 HA TYR 12 HA TYR 12 -3.149 -3.596 -2.126
89 HB2 TYR 12 2HB TYR 12 -4.202 -2.287 -0.302
90 HB3 TYR 12 3HB TYR 12 -4.809 -3.777 0.401
91 HD1 TYR 12 HD1 TYR 12 -3.267 -5.414 1.480
92 HD2 TYR 12 HD2 TYR 12 -1.901 -1.573 0.067
93 HE1 TYR 12 HE1 TYR 12 -1.247 -5.605 2.906
94 HE2 TYR 12 HE2 TYR 12 0.080 -1.730 1.540
95 HH TYR 12 HH TYR 12 1.288 -3.088 3.027
96 H GLN 13 H GLN 13 -1.742 -5.304 -1.511
97 HA GLN 13 HA GLN 13 -3.015 -8.002 -1.440
98 HB2 GLN 13 2HB GLN 13 -1.323 -8.685 -3.186
99 HB3 GLN 13 3HB GLN 13 -2.690 -7.727 -3.689
100 HG2 GLN 13 2HG GLN 13 -1.174 -5.659 -3.694
101 HG3 GLN 13 3HG GLN 13 0.173 -6.762 -3.357
102 HE21 GLN 13 1HE2 GLN 13 1.313 -7.291 -5.031
103 HE22 GLN 13 2HE2 GLN 13 0.597 -7.599 -6.616
104 H GLU 14 H GLU 14 -1.773 -9.752 -0.976
105 HA GLU 14 HA GLU 14 -0.106 -9.347 1.362
106 HB2 GLU 14 2HB GLU 14 -0.321 -11.715 1.672
107 HB3 GLU 14 3HB GLU 14 -1.880 -10.953 1.377
108 HG2 GLU 14 2HG GLU 14 -0.399 -12.185 -0.927
109 HG3 GLU 14 3HG GLU 14 -1.210 -13.239 0.231
110 H SER 15 H SER 15 0.694 -9.549 -1.880
111 HA SER 15 HA SER 15 3.530 -9.904 -1.139
112 HB2 SER 15 2HB SER 15 3.803 -11.156 -3.456
113 HB3 SER 15 3HB SER 15 3.519 -11.982 -1.936
114 HG SER 15 HG SER 15 1.526 -11.291 -3.878
115 HA PRO 16 HA PRO 16 4.355 -6.389 -3.666
116 HB2 PRO 16 2HB PRO 16 6.776 -7.892 -4.655
117 HB3 PRO 16 3HB PRO 16 6.666 -6.221 -4.024
118 HG2 PRO 16 2HG PRO 16 7.617 -8.232 -2.466
119 HG3 PRO 16 3HG PRO 16 6.517 -6.992 -1.782
120 HD2 PRO 16 2HD PRO 16 5.840 -9.820 -2.653
121 HD3 PRO 16 3HD PRO 16 5.311 -8.881 -1.229
122 H ASN 17 H ASN 17 4.490 -5.621 -5.858
123 HA ASN 17 HA ASN 17 3.370 -7.523 -7.884
124 HB2 ASN 17 2HB ASN 17 1.778 -5.820 -7.174
125 HB3 ASN 17 3HB ASN 17 2.934 -4.559 -7.390
126 HD21 ASN 17 1HD2 ASN 17 1.363 -3.541 -8.897
127 HD22 ASN 17 2HD2 ASN 17 1.137 -4.239 -10.502
128 H GLY 18 H GLY 18 5.555 -8.204 -8.467
129 HA2 GLY 18 2HA GLY 18 7.358 -8.175 -9.907
130 HA3 GLY 18 3HA GLY 18 6.584 -6.823 -10.731
131 H ALA 19 H ALA 19 7.758 -5.082 -10.799
132 HA ALA 19 HA ALA 19 9.969 -4.536 -8.934
133 HB1 ALA 19 1HB ALA 19 9.051 -3.067 -11.439
134 HB2 ALA 19 2HB ALA 19 10.570 -2.804 -10.560
135 HB3 ALA 19 3HB ALA 19 10.282 -4.348 -11.378
136 H LYS 20 H LYS 20 6.786 -4.053 -8.463
137 HA LYS 20 HA LYS 20 7.175 -1.467 -7.025
138 HB2 LYS 20 2HB LYS 20 4.542 -2.629 -8.026
139 HB3 LYS 20 3HB LYS 20 4.849 -1.052 -7.302
140 HG2 LYS 20 2HG LYS 20 4.791 -0.399 -9.452
141 HG3 LYS 20 3HG LYS 20 6.511 -0.787 -9.366
142 HD2 LYS 20 2HD LYS 20 5.989 -3.005 -10.433
143 HD3 LYS 20 3HD LYS 20 4.274 -2.545 -10.475
144 HE2 LYS 20 2HE LYS 20 4.927 -0.507 -11.817
145 HE3 LYS 20 3HE LYS 20 6.593 -1.103 -11.848
146 HZ1 LYS 20 1HZ LYS 20 5.766 -3.100 -12.960
147 HZ2 LYS 20 2HZ LYS 20 4.229 -2.491 -12.973
148 HZ3 LYS 20 3HZ LYS 20 5.404 -1.739 -13.835
149 H ARG 21 H ARG 21 6.435 -1.227 -5.038
150 HA ARG 21 HA ARG 21 4.794 -3.298 -3.720
151 HB2 ARG 21 2HB ARG 21 6.030 -3.329 -1.700
152 HB3 ARG 21 3HB ARG 21 7.109 -3.785 -3.004
153 HG2 ARG 21 2HG ARG 21 8.111 -1.452 -2.933
154 HG3 ARG 21 3HG ARG 21 7.058 -1.091 -1.578
155 HD2 ARG 21 2HD ARG 21 8.048 -3.225 -0.466
156 HD3 ARG 21 3HD ARG 21 9.325 -3.098 -1.664
157 HE ARG 21 HE ARG 21 8.720 -1.290 0.600
158 HH11 ARG 21 1HH1 ARG 21 10.768 -1.648 -2.286
159 HH12 ARG 21 2HH1 ARG 21 11.999 -0.625 -1.589
160 HH21 ARG 21 1HH2 ARG 21 10.428 -0.091 1.390
161 HH22 ARG 21 2HH2 ARG 21 11.721 0.354 0.272
162 H CYS 22 H CYS 22 4.884 -1.568 -1.206
163 HA CYS 22 HA CYS 22 3.472 0.856 -2.188
164 HB2 CYS 22 2HB CYS 22 4.202 -0.078 0.612
165 HB3 CYS 22 3HB CYS 22 3.424 1.482 0.221
166 H GLY 23 H GLY 23 6.052 0.859 0.213
167 HA2 GLY 23 2HA GLY 23 7.903 2.248 0.432
168 HA3 GLY 23 3HA GLY 23 8.336 1.509 -1.107
169 H THR 24 H THR 24 8.566 2.852 -2.834
170 HA THR 24 HA THR 24 7.767 5.701 -2.612
171 HB THR 24 HB THR 24 9.429 4.433 -4.796
172 HG1 THR 24 HG1 THR 24 10.501 4.230 -2.866
173 HG21 THR 24 1HG2 THR 24 10.171 6.766 -5.111
174 HG22 THR 24 2HG2 THR 24 8.417 6.674 -5.310
175 HG23 THR 24 3HG2 THR 24 9.099 7.316 -3.806
176 H CYS 25 H CYS 25 5.499 4.917 -2.567
177 HA CYS 25 HA CYS 25 4.329 4.473 -5.249
178 HB2 CYS 25 2HB CYS 25 2.417 3.887 -4.194
179 HB3 CYS 25 3HB CYS 25 3.513 3.514 -2.901
180 H ARG 26 H ARG 26 2.049 6.087 -4.862
181 HA ARG 26 HA ARG 26 2.746 8.591 -6.063
182 HB2 ARG 26 2HB ARG 26 0.539 7.599 -6.329
183 HB3 ARG 26 3HB ARG 26 0.276 7.590 -4.586
184 HG2 ARG 26 2HG ARG 26 -1.044 9.340 -5.611
185 HG3 ARG 26 3HG ARG 26 0.158 10.028 -4.532
186 HD2 ARG 26 2HD ARG 26 1.592 10.443 -6.650
187 HD3 ARG 26 3HD ARG 26 0.141 10.044 -7.582
188 HE ARG 26 HE ARG 26 0.555 12.355 -5.718
189 HH11 ARG 26 1HH1 ARG 26 -1.599 11.065 -8.231
190 HH12 ARG 26 2HH1 ARG 26 -2.764 12.316 -7.893
191 HH21 ARG 26 1HH2 ARG 26 -0.847 13.852 -5.489
192 HH22 ARG 26 2HH2 ARG 26 -2.310 13.945 -6.468
193 H GLN 27 H GLN 27 2.385 7.694 -2.633
194 HA GLN 27 HA GLN 27 4.146 9.835 -1.954
195 HB2 GLN 27 2HB GLN 27 1.425 10.661 -2.033
196 HB3 GLN 27 3HB GLN 27 1.813 10.528 -0.321
197 HG2 GLN 27 2HG GLN 27 3.684 12.033 -0.536
198 HG3 GLN 27 3HG GLN 27 3.615 11.985 -2.293
199 HE21 GLN 27 1HE2 GLN 27 3.737 14.398 -1.199
200 HE22 GLN 27 2HE2 GLN 27 2.189 15.221 -1.356
201 H PHE 28 H PHE 28 2.227 7.144 -0.828
202 HA PHE 28 HA PHE 28 2.099 5.905 0.992
203 HB2 PHE 28 2HB PHE 28 4.207 5.229 0.066
204 HB3 PHE 28 3HB PHE 28 5.057 6.436 1.021
205 HD1 PHE 28 HD1 PHE 28 2.373 4.469 2.719
206 HD2 PHE 28 HD2 PHE 28 6.579 4.677 1.771
207 HE1 PHE 28 HE1 PHE 28 2.860 2.866 4.514
208 HE2 PHE 28 HE2 PHE 28 7.049 3.006 3.534
209 HZ PHE 28 HZ PHE 28 5.194 2.107 4.926
210 H ARG 29 H ARG 29 4.298 8.449 2.217
211 HA ARG 29 HA ARG 29 4.608 9.399 4.268
212 HB2 ARG 29 2HB ARG 29 1.663 9.509 3.961
213 HB3 ARG 29 3HB ARG 29 2.315 9.862 5.549
214 HG2 ARG 29 2HG ARG 29 2.030 11.870 4.234
215 HG3 ARG 29 3HG ARG 29 3.717 11.631 4.689
216 HD2 ARG 29 2HD ARG 29 4.299 10.946 2.425
217 HD3 ARG 29 3HD ARG 29 2.594 10.941 1.956
218 HE ARG 29 HE ARG 29 2.509 13.289 1.991
219 HH11 ARG 29 1HH1 ARG 29 5.846 12.284 2.703
220 HH12 ARG 29 2HH1 ARG 29 6.434 13.911 2.434
221 HH21 ARG 29 1HH2 ARG 29 3.402 15.319 1.776
222 HH22 ARG 29 2HH2 ARG 29 5.131 15.496 1.788
223 HA PRO 30 HA PRO 30 4.874 5.251 6.404
224 HB2 PRO 30 2HB PRO 30 7.635 5.628 6.891
225 HB3 PRO 30 3HB PRO 30 6.916 4.753 5.516
226 HG2 PRO 30 2HG PRO 30 7.887 7.606 5.682
227 HG3 PRO 30 3HG PRO 30 8.173 6.403 4.382
228 HD2 PRO 30 2HD PRO 30 6.309 8.294 4.128
229 HD3 PRO 30 3HD PRO 30 5.968 6.640 3.566
230 HA PRO 31 HA PRO 31 6.693 4.170 8.048
231 HB2 PRO 31 2HB PRO 31 6.971 3.174 10.505
232 HB3 PRO 31 3HB PRO 31 7.967 4.545 9.933
233 HG2 PRO 31 2HG PRO 31 5.422 4.677 11.602
234 HG3 PRO 31 3HG PRO 31 7.010 5.431 11.954
235 HD2 PRO 31 2HD PRO 31 5.024 6.823 10.703
236 HD3 PRO 31 3HD PRO 31 6.736 7.041 10.268
237 H SER 32 H SER 32 3.642 4.505 9.895
238 HA SER 32 HA SER 32 2.964 1.664 9.178
239 HB2 SER 32 2HB SER 32 3.774 1.848 11.444
240 HB3 SER 32 3HB SER 32 2.547 3.070 11.824
241 HG SER 32 HG SER 32 0.999 1.558 11.706
242 H SER 33 H SER 33 1.913 4.883 8.940
243 HA SER 33 HA SER 33 -0.870 4.066 8.221
244 HB2 SER 33 2HB SER 33 0.521 6.757 8.352
245 HB3 SER 33 3HB SER 33 -1.115 6.547 7.743
246 HG SER 33 HG SER 33 -1.836 6.023 9.757
247 H CYS 34 H CYS 34 -1.588 4.143 6.152
248 HA CYS 34 HA CYS 34 0.205 5.047 3.932
249 HB2 CYS 34 2HB CYS 34 -0.336 2.854 3.380
250 HB3 CYS 34 3HB CYS 34 -1.940 2.939 4.117
251 H ILE 35 H ILE 35 -0.640 6.355 2.334
252 HA ILE 35 HA ILE 35 -2.407 8.512 3.074
253 HB ILE 35 HB ILE 35 -2.291 9.067 0.626
254 HG12 ILE 35 2HG1 ILE 35 -0.069 6.984 0.507
255 HG13 ILE 35 3HG1 ILE 35 -1.709 6.634 -0.030
256 HG21 ILE 35 1HG2 ILE 35 -0.090 10.015 0.843
257 HG22 ILE 35 2HG2 ILE 35 -0.886 10.071 2.409
258 HG23 ILE 35 3HG2 ILE 35 0.355 8.839 2.098
259 HD11 ILE 35 1HD1 ILE 35 0.053 8.837 -1.134
260 HD12 ILE 35 2HD1 ILE 35 -0.339 7.296 -1.926
261 HD13 ILE 35 3HD1 ILE 35 -1.619 8.496 -1.632
262 H THR 36 H THR 36 -3.100 5.364 1.788
263 HA THR 36 HA THR 36 -5.870 6.200 0.961
264 HB THR 36 HB THR 36 -4.115 4.057 -0.292
265 HG1 THR 36 HG1 THR 36 -3.219 5.505 -1.368
266 HG21 THR 36 1HG2 THR 36 -6.640 5.454 -1.280
267 HG22 THR 36 2HG2 THR 36 -5.658 4.298 -2.211
268 HG23 THR 36 3HG2 THR 36 -6.516 3.756 -0.765
269 H VAL 37 H VAL 37 -3.904 3.558 2.370
270 HA VAL 37 HA VAL 37 -6.332 1.886 2.647
271 HB VAL 37 HB VAL 37 -3.415 1.094 2.969
272 HG11 VAL 37 1HG1 VAL 37 -5.949 -0.565 2.546
273 HG12 VAL 37 2HG1 VAL 37 -4.292 -1.195 2.410
274 HG13 VAL 37 3HG1 VAL 37 -4.859 -0.612 3.959
275 HG21 VAL 37 1HG2 VAL 37 -3.709 1.882 0.699
276 HG22 VAL 37 2HG2 VAL 37 -3.757 0.128 0.642
277 HG23 VAL 37 3HG2 VAL 37 -5.272 1.057 0.562
278 H GLU 38 H GLU 38 -6.818 0.694 4.485
279 HA GLU 38 HA GLU 38 -6.897 1.760 7.015
280 HB2 GLU 38 2HB GLU 38 -7.079 -0.969 5.816
281 HB3 GLU 38 3HB GLU 38 -6.853 -0.951 7.544
282 HG2 GLU 38 2HG GLU 38 -9.002 0.754 6.250
283 HG3 GLU 38 3HG GLU 38 -9.253 -0.946 6.656
284 H SER 39 H SER 39 -6.069 1.141 8.997
285 HA SER 39 HA SER 39 -3.079 0.976 9.041
286 HB2 SER 39 2HB SER 39 -4.122 3.067 9.782
287 HB3 SER 39 3HB SER 39 -4.977 2.163 11.043
288 HG SER 39 HG SER 39 -3.029 3.168 11.767
289 HA PRO 40 HA PRO 40 -1.349 0.543 10.473
290 HB2 PRO 40 2HB PRO 40 0.391 -1.312 11.364
291 HB3 PRO 40 3HB PRO 40 -0.614 -0.359 12.500
292 HG2 PRO 40 2HG PRO 40 -1.146 -3.161 11.450
293 HG3 PRO 40 3HG PRO 40 -1.167 -2.597 13.152
294 HD2 PRO 40 2HD PRO 40 -3.442 -2.786 11.624
295 HD3 PRO 40 3HD PRO 40 -3.236 -1.528 12.875
296 H ILE 41 H ILE 41 0.400 0.201 8.919
297 HA ILE 41 HA ILE 41 -0.207 -1.957 6.940
298 HB ILE 41 HB ILE 41 -0.998 0.506 6.484
299 HG12 ILE 41 2HG1 ILE 41 -0.603 0.207 4.020
300 HG13 ILE 41 3HG1 ILE 41 0.364 -1.220 4.382
301 HG21 ILE 41 1HG2 ILE 41 1.823 0.702 5.358
302 HG22 ILE 41 2HG2 ILE 41 0.535 1.915 5.306
303 HG23 ILE 41 3HG2 ILE 41 1.288 1.508 6.848
304 HD11 ILE 41 1HD1 ILE 41 -2.573 -0.817 5.116
305 HD12 ILE 41 2HD1 ILE 41 -1.993 -1.748 3.743
306 HD13 ILE 41 3HD1 ILE 41 -1.648 -2.309 5.384
307 H SER 42 H SER 42 1.313 -2.979 5.874
308 HA SER 42 HA SER 42 4.170 -2.501 6.545
309 HB2 SER 42 2HB SER 42 2.792 -4.856 5.217
310 HB3 SER 42 3HB SER 42 4.528 -4.740 5.598
311 HG SER 42 HG SER 42 3.167 -5.818 7.235
312 H GLU 43 H GLU 43 5.718 -2.059 4.998
313 HA GLU 43 HA GLU 43 4.721 -0.606 2.723
314 HB2 GLU 43 2HB GLU 43 7.046 0.036 2.352
315 HB3 GLU 43 3HB GLU 43 6.552 0.263 4.018
316 HG2 GLU 43 2HG GLU 43 7.694 -1.857 4.649
317 HG3 GLU 43 3HG GLU 43 8.229 -2.019 2.973
318 H ASN 44 H ASN 44 5.213 -3.859 2.911
319 HA ASN 44 HA ASN 44 6.225 -4.314 0.207
320 HB2 ASN 44 2HB ASN 44 6.033 -6.700 0.817
321 HB3 ASN 44 3HB ASN 44 7.023 -5.768 1.931
322 HD21 ASN 44 1HD2 ASN 44 6.742 -7.773 3.056
323 HD22 ASN 44 2HD2 ASN 44 5.515 -7.681 4.317
324 H GLY 45 H GLY 45 3.479 -2.976 0.814
325 HA2 GLY 45 2HA GLY 45 1.376 -4.695 0.025
326 HA3 GLY 45 3HA GLY 45 1.358 -2.942 0.077
327 H TRP 46 H TRP 46 1.927 -1.747 -1.747
328 HA TRP 46 HA TRP 46 1.466 -1.072 -3.865
329 HB2 TRP 46 2HB TRP 46 2.630 -2.996 -4.934
330 HB3 TRP 46 3HB TRP 46 1.177 -3.955 -4.752
331 HD1 TRP 46 HD1 TRP 46 2.657 -1.268 -6.932
332 HE1 TRP 46 HE1 TRP 46 1.188 -0.936 -9.023
333 HE3 TRP 46 HE3 TRP 46 -1.461 -3.917 -5.435
334 HZ2 TRP 46 HZ2 TRP 46 -1.517 -1.579 -9.827
335 HZ3 TRP 46 HZ3 TRP 46 -3.519 -3.901 -6.810
336 HH2 TRP 46 HH2 TRP 46 -3.542 -2.782 -9.034
337 H CYS 47 H CYS 47 -0.458 -0.292 -4.660
338 HA CYS 47 HA CYS 47 -2.942 -1.824 -4.255
339 HB2 CYS 47 2HB CYS 47 -4.024 -0.206 -2.939
340 HB3 CYS 47 3HB CYS 47 -2.411 -0.244 -2.255
341 H ARG 48 H ARG 48 -4.864 -0.579 -5.228
342 HA ARG 48 HA ARG 48 -4.258 -0.162 -8.020
343 HB2 ARG 48 2HB ARG 48 -6.863 0.007 -6.473
344 HB3 ARG 48 3HB ARG 48 -6.738 0.156 -8.233
345 HG2 ARG 48 2HG ARG 48 -5.701 -2.083 -8.384
346 HG3 ARG 48 3HG ARG 48 -5.793 -2.255 -6.633
347 HD2 ARG 48 2HD ARG 48 -7.652 -3.462 -7.419
348 HD3 ARG 48 3HD ARG 48 -8.332 -1.939 -6.861
349 HE ARG 48 HE ARG 48 -8.756 -1.283 -9.104
350 HH11 ARG 48 1HH1 ARG 48 -7.027 -4.381 -9.227
351 HH12 ARG 48 2HH1 ARG 48 -7.608 -4.639 -10.879
352 HH21 ARG 48 1HH2 ARG 48 -9.408 -1.832 -11.149
353 HH22 ARG 48 2HH2 ARG 48 -8.847 -3.346 -11.847
354 H LEU 49 H LEU 49 -3.978 2.112 -5.600
355 HA LEU 49 HA LEU 49 -4.619 4.429 -7.331
356 HB2 LEU 49 2HB LEU 49 -5.213 4.413 -4.966
357 HB3 LEU 49 3HB LEU 49 -3.529 4.248 -4.495
358 HG LEU 49 HG LEU 49 -4.163 6.586 -6.274
359 HD11 LEU 49 1HD1 LEU 49 -5.123 6.456 -3.394
360 HD12 LEU 49 2HD1 LEU 49 -5.026 7.925 -4.382
361 HD13 LEU 49 3HD1 LEU 49 -6.133 6.622 -4.846
362 HD21 LEU 49 1HD2 LEU 49 -2.655 7.749 -4.707
363 HD22 LEU 49 2HD2 LEU 49 -2.608 6.320 -3.655
364 HD23 LEU 49 3HD2 LEU 49 -1.896 6.253 -5.276
365 H TYR 50 H TYR 50 -1.910 2.370 -6.674
366 HA TYR 50 HA TYR 50 0.284 4.052 -7.054
367 HB2 TYR 50 2HB TYR 50 0.131 1.586 -6.387
368 HB3 TYR 50 3HB TYR 50 0.065 1.209 -8.098
369 HD1 TYR 50 HD1 TYR 50 2.107 2.049 -9.569
370 HD2 TYR 50 HD2 TYR 50 2.150 1.738 -5.265
371 HE1 TYR 50 HE1 TYR 50 4.577 2.060 -9.587
372 HE2 TYR 50 HE2 TYR 50 4.616 1.697 -5.289
373 HH TYR 50 HH TYR 50 6.478 1.561 -6.575
374 H ALA 51 H ALA 51 1.252 5.026 -8.708
375 HA ALA 51 HA ALA 51 0.176 4.816 -11.492
376 HB1 ALA 51 1HB ALA 51 1.376 7.191 -9.999
377 HB2 ALA 51 2HB ALA 51 0.791 7.203 -11.674
378 HB3 ALA 51 3HB ALA 51 -0.349 6.940 -10.346
379 H GLY 52 H GLY 52 1.827 5.511 -13.184
380 HA2 GLY 52 2HA GLY 52 3.757 3.503 -13.258
381 HA3 GLY 52 3HA GLY 52 3.643 4.850 -14.387
382 H LYS 53 H LYS 53 4.320 6.615 -11.855
383 HA LYS 53 HA LYS 53 6.785 7.415 -12.305
384 HB2 LYS 53 2HB LYS 53 4.852 8.114 -10.579
385 HB3 LYS 53 3HB LYS 53 5.849 7.237 -9.431
386 HG2 LYS 53 2HG LYS 53 6.594 9.425 -9.221
387 HG3 LYS 53 3HG LYS 53 7.805 8.736 -10.317
388 HD2 LYS 53 2HD LYS 53 6.464 9.674 -12.256
389 HD3 LYS 53 3HD LYS 53 5.383 10.442 -11.096
390 HE2 LYS 53 2HE LYS 53 8.379 10.961 -11.365
391 HE3 LYS 53 3HE LYS 53 7.101 12.000 -12.001
392 HZ1 LYS 53 1HZ LYS 53 7.640 11.440 -9.137
393 HZ2 LYS 53 2HZ LYS 53 7.868 12.863 -9.899
394 HZ3 LYS 53 3HZ LYS 53 6.339 12.322 -9.684
395 H ALA 54 H ALA 54 8.649 6.779 -12.183
396 HA ALA 54 HA ALA 54 9.779 4.914 -10.165
397 HB1 ALA 54 1HB ALA 54 9.883 4.394 -13.170
398 HB2 ALA 54 2HB ALA 54 10.787 3.510 -11.938
399 HB3 ALA 54 3HB ALA 54 9.018 3.427 -11.958
Start of MODEL 12
1 H1 VAL 1 1H VAL 1 -14.415 9.308 14.562
2 H2 VAL 1 2H VAL 1 -14.816 9.725 13.024
3 H3 VAL 1 3H VAL 1 -13.752 10.646 13.862
4 HA VAL 1 HA VAL 1 -12.616 9.342 12.228
5 HB VAL 1 HB VAL 1 -11.001 8.112 13.646
6 HG11 VAL 1 1HG1 VAL 1 -11.643 10.903 14.677
7 HG12 VAL 1 2HG1 VAL 1 -10.077 10.077 14.728
8 HG13 VAL 1 3HG1 VAL 1 -10.775 10.539 13.168
9 HG21 VAL 1 1HG2 VAL 1 -12.500 7.388 15.512
10 HG22 VAL 1 2HG2 VAL 1 -11.059 8.244 16.061
11 HG23 VAL 1 3HG2 VAL 1 -12.616 9.079 16.040
12 H THR 2 H THR 2 -12.485 7.539 11.019
13 HA THR 2 HA THR 2 -13.602 4.979 11.990
14 HB THR 2 HB THR 2 -15.348 6.401 10.862
15 HG1 THR 2 HG1 THR 2 -15.998 4.428 10.842
16 HG21 THR 2 1HG2 THR 2 -14.019 5.599 8.262
17 HG22 THR 2 2HG2 THR 2 -15.479 6.574 8.501
18 HG23 THR 2 3HG2 THR 2 -13.901 7.233 8.959
19 H LYS 3 H LYS 3 -13.285 3.242 10.210
20 HA LYS 3 HA LYS 3 -10.444 3.064 9.672
21 HB2 LYS 3 2HB LYS 3 -12.216 1.173 10.182
22 HB3 LYS 3 3HB LYS 3 -12.544 1.247 8.456
23 HG2 LYS 3 2HG LYS 3 -10.974 -0.489 8.708
24 HG3 LYS 3 3HG LYS 3 -10.003 0.859 8.111
25 HD2 LYS 3 2HD LYS 3 -9.284 1.339 10.483
26 HD3 LYS 3 3HD LYS 3 -10.278 -0.029 11.026
27 HE2 LYS 3 2HE LYS 3 -8.933 -1.526 9.510
28 HE3 LYS 3 3HE LYS 3 -7.885 -0.144 9.141
29 HZ1 LYS 3 1HZ LYS 3 -8.303 -1.354 11.814
30 HZ2 LYS 3 2HZ LYS 3 -6.934 -1.454 10.882
31 HZ3 LYS 3 3HZ LYS 3 -7.365 -0.032 11.545
32 H LYS 4 H LYS 4 -9.308 3.191 7.722
33 HA LYS 4 HA LYS 4 -10.537 4.649 5.480
34 HB2 LYS 4 2HB LYS 4 -7.752 3.493 5.909
35 HB3 LYS 4 3HB LYS 4 -8.270 4.413 4.488
36 HG2 LYS 4 2HG LYS 4 -9.157 6.119 6.353
37 HG3 LYS 4 3HG LYS 4 -7.840 5.418 7.267
38 HD2 LYS 4 2HD LYS 4 -6.234 6.493 6.027
39 HD3 LYS 4 3HD LYS 4 -7.092 6.269 4.487
40 HE2 LYS 4 2HE LYS 4 -8.686 8.009 5.014
41 HE3 LYS 4 3HE LYS 4 -8.036 8.179 6.646
42 HZ1 LYS 4 1HZ LYS 4 -6.045 9.076 5.783
43 HZ2 LYS 4 2HZ LYS 4 -6.449 8.775 4.207
44 HZ3 LYS 4 3HZ LYS 4 -7.278 9.903 5.055
45 H ALA 5 H ALA 5 -9.823 3.807 3.201
46 HA ALA 5 HA ALA 5 -11.825 1.926 2.628
47 HB1 ALA 5 1HB ALA 5 -9.471 2.754 0.880
48 HB2 ALA 5 2HB ALA 5 -10.980 1.998 0.321
49 HB3 ALA 5 3HB ALA 5 -11.017 3.625 1.030
50 H SER 6 H SER 6 -11.937 -0.218 2.227
51 HA SER 6 HA SER 6 -10.186 -1.712 3.816
52 HB2 SER 6 2HB SER 6 -11.591 -3.577 3.424
53 HB3 SER 6 3HB SER 6 -12.629 -2.142 3.396
54 HG SER 6 HG SER 6 -13.240 -3.120 1.605
55 H HIS 7 H HIS 7 -9.125 -3.714 3.360
56 HA HIS 7 HA HIS 7 -7.072 -3.801 1.475
57 HB2 HIS 7 2HB HIS 7 -7.088 -6.266 1.888
58 HB3 HIS 7 3HB HIS 7 -7.159 -5.313 3.361
59 HD2 HIS 7 HD2 HIS 7 -9.449 -5.391 4.807
60 HE1 HIS 7 HE1 HIS 7 -11.493 -8.338 2.505
61 HE2 HIS 7 HE2 HIS 7 -11.543 -6.947 4.654
62 H LYS 8 H LYS 8 -10.397 -4.881 1.004
63 HA LYS 8 HA LYS 8 -10.054 -5.956 -1.689
64 HB2 LYS 8 2HB LYS 8 -11.740 -6.816 -0.183
65 HB3 LYS 8 3HB LYS 8 -12.492 -5.229 -0.042
66 HG2 LYS 8 2HG LYS 8 -13.726 -6.649 -1.516
67 HG3 LYS 8 3HG LYS 8 -13.133 -5.269 -2.421
68 HD2 LYS 8 2HD LYS 8 -11.433 -6.634 -3.506
69 HD3 LYS 8 3HD LYS 8 -11.770 -7.996 -2.417
70 HE2 LYS 8 2HE LYS 8 -14.069 -8.165 -3.322
71 HE3 LYS 8 3HE LYS 8 -13.746 -6.813 -4.422
72 HZ1 LYS 8 1HZ LYS 8 -12.049 -8.146 -5.491
73 HZ2 LYS 8 2HZ LYS 8 -12.268 -9.388 -4.432
74 HZ3 LYS 8 3HZ LYS 8 -13.466 -8.981 -5.488
75 H ASP 9 H ASP 9 -11.737 -3.080 -0.443
76 HA ASP 9 HA ASP 9 -12.484 -1.875 -2.859
77 HB2 ASP 9 2HB ASP 9 -13.074 -1.395 -0.400
78 HB3 ASP 9 3HB ASP 9 -11.646 -0.382 -0.374
79 H ALA 10 H ALA 10 -9.482 -1.379 -1.010
80 HA ALA 10 HA ALA 10 -8.315 0.437 -2.983
81 HB1 ALA 10 1HB ALA 10 -6.454 0.487 -1.425
82 HB2 ALA 10 2HB ALA 10 -7.990 0.717 -0.559
83 HB3 ALA 10 3HB ALA 10 -7.151 -0.851 -0.487
84 H GLY 11 H GLY 11 -8.452 -3.005 -2.884
85 HA2 GLY 11 2HA GLY 11 -7.222 -4.658 -3.924
86 HA3 GLY 11 3HA GLY 11 -6.599 -3.407 -5.011
87 H TYR 12 H TYR 12 -6.129 -3.702 -1.484
88 HA TYR 12 HA TYR 12 -3.206 -3.369 -1.783
89 HB2 TYR 12 2HB TYR 12 -4.358 -1.960 -0.197
90 HB3 TYR 12 3HB TYR 12 -5.094 -3.347 0.579
91 HD1 TYR 12 HD1 TYR 12 -1.802 -1.632 0.010
92 HD2 TYR 12 HD2 TYR 12 -4.041 -4.451 2.382
93 HE1 TYR 12 HE1 TYR 12 -0.004 -1.619 1.719
94 HE2 TYR 12 HE2 TYR 12 -2.223 -4.465 4.076
95 HH TYR 12 HH TYR 12 -0.215 -3.664 4.675
96 H GLN 13 H GLN 13 -1.771 -5.002 -1.623
97 HA GLN 13 HA GLN 13 -2.984 -7.714 -1.329
98 HB2 GLN 13 2HB GLN 13 -1.642 -8.428 -3.214
99 HB3 GLN 13 3HB GLN 13 -2.737 -7.113 -3.604
100 HG2 GLN 13 2HG GLN 13 -0.815 -5.495 -3.509
101 HG3 GLN 13 3HG GLN 13 0.274 -6.853 -3.192
102 HE21 GLN 13 1HE2 GLN 13 1.555 -6.581 -4.994
103 HE22 GLN 13 2HE2 GLN 13 0.892 -7.105 -6.512
104 H GLU 14 H GLU 14 -1.738 -9.584 -0.887
105 HA GLU 14 HA GLU 14 0.403 -9.139 1.069
106 HB2 GLU 14 2HB GLU 14 -0.336 -11.126 1.951
107 HB3 GLU 14 3HB GLU 14 -1.813 -10.340 1.420
108 HG2 GLU 14 2HG GLU 14 -0.323 -12.634 0.235
109 HG3 GLU 14 3HG GLU 14 -1.996 -12.600 0.822
110 H SER 15 H SER 15 0.237 -9.754 -2.198
111 HA SER 15 HA SER 15 2.707 -11.410 -2.336
112 HB2 SER 15 2HB SER 15 1.759 -11.529 -4.861
113 HB3 SER 15 3HB SER 15 1.323 -12.676 -3.597
114 HG SER 15 HG SER 15 -0.577 -11.695 -3.306
115 HA PRO 16 HA PRO 16 4.792 -7.988 -4.054
116 HB2 PRO 16 2HB PRO 16 6.543 -9.016 -5.880
117 HB3 PRO 16 3HB PRO 16 6.664 -9.297 -4.116
118 HG2 PRO 16 2HG PRO 16 5.491 -11.129 -6.219
119 HG3 PRO 16 3HG PRO 16 6.593 -11.545 -4.879
120 HD2 PRO 16 2HD PRO 16 3.866 -11.879 -4.800
121 HD3 PRO 16 3HD PRO 16 4.813 -11.554 -3.329
122 H ASN 17 H ASN 17 4.978 -6.500 -5.787
123 HA ASN 17 HA ASN 17 3.781 -7.277 -8.394
124 HB2 ASN 17 2HB ASN 17 2.340 -5.539 -7.409
125 HB3 ASN 17 3HB ASN 17 3.729 -4.464 -7.254
126 HD21 ASN 17 1HD2 ASN 17 1.977 -3.204 -8.622
127 HD22 ASN 17 2HD2 ASN 17 2.193 -3.321 -10.346
128 H GLY 18 H GLY 18 6.081 -8.201 -8.423
129 HA2 GLY 18 2HA GLY 18 8.322 -8.148 -8.871
130 HA3 GLY 18 3HA GLY 18 7.996 -6.699 -9.830
131 H ALA 19 H ALA 19 9.103 -5.006 -9.237
132 HA ALA 19 HA ALA 19 10.157 -4.671 -6.481
133 HB1 ALA 19 1HB ALA 19 11.738 -3.126 -7.536
134 HB2 ALA 19 2HB ALA 19 11.745 -4.708 -8.335
135 HB3 ALA 19 3HB ALA 19 10.918 -3.333 -9.099
136 H LYS 20 H LYS 20 7.299 -3.691 -7.843
137 HA LYS 20 HA LYS 20 7.353 -0.900 -6.818
138 HB2 LYS 20 2HB LYS 20 5.142 -2.548 -8.098
139 HB3 LYS 20 3HB LYS 20 4.957 -0.902 -7.512
140 HG2 LYS 20 2HG LYS 20 5.727 -0.061 -9.419
141 HG3 LYS 20 3HG LYS 20 7.272 -0.882 -9.204
142 HD2 LYS 20 2HD LYS 20 6.381 -2.899 -10.310
143 HD3 LYS 20 3HD LYS 20 4.805 -2.094 -10.520
144 HE2 LYS 20 2HE LYS 20 5.788 -0.390 -11.953
145 HE3 LYS 20 3HE LYS 20 7.424 -0.945 -11.584
146 HZ1 LYS 20 1HZ LYS 20 5.406 -2.573 -13.022
147 HZ2 LYS 20 2HZ LYS 20 6.640 -1.764 -13.752
148 HZ3 LYS 20 3HZ LYS 20 6.959 -3.008 -12.740
149 H ARG 21 H ARG 21 6.580 -0.236 -4.904
150 HA ARG 21 HA ARG 21 4.752 -1.884 -3.300
151 HB2 ARG 21 2HB ARG 21 6.112 -2.295 -1.476
152 HB3 ARG 21 3HB ARG 21 7.183 -2.657 -2.820
153 HG2 ARG 21 2HG ARG 21 8.175 -0.324 -2.568
154 HG3 ARG 21 3HG ARG 21 7.142 -0.110 -1.150
155 HD2 ARG 21 2HD ARG 21 8.191 -2.185 -0.151
156 HD3 ARG 21 3HD ARG 21 9.373 -2.142 -1.446
157 HE ARG 21 HE ARG 21 9.044 -0.226 0.810
158 HH11 ARG 21 1HH1 ARG 21 10.774 -0.754 -2.229
159 HH12 ARG 21 2HH1 ARG 21 12.249 -0.083 -1.604
160 HH21 ARG 21 1HH2 ARG 21 10.888 0.734 1.479
161 HH22 ARG 21 2HH2 ARG 21 12.248 0.951 0.397
162 H CYS 22 H CYS 22 4.200 -0.677 -1.168
163 HA CYS 22 HA CYS 22 3.178 1.865 -1.444
164 HB2 CYS 22 2HB CYS 22 4.377 0.419 0.959
165 HB3 CYS 22 3HB CYS 22 3.306 1.838 1.056
166 H GLY 23 H GLY 23 6.410 1.235 0.027
167 HA2 GLY 23 2HA GLY 23 7.320 3.835 0.428
168 HA3 GLY 23 3HA GLY 23 8.358 2.491 -0.041
169 H THR 24 H THR 24 7.004 2.254 -2.755
170 HA THR 24 HA THR 24 8.279 4.606 -4.073
171 HB THR 24 HB THR 24 9.077 3.139 -5.797
172 HG1 THR 24 HG1 THR 24 8.919 0.971 -5.627
173 HG21 THR 24 1HG2 THR 24 9.755 1.921 -3.071
174 HG22 THR 24 2HG2 THR 24 10.739 1.859 -4.530
175 HG23 THR 24 3HG2 THR 24 10.470 3.413 -3.726
176 H CYS 25 H CYS 25 5.281 3.703 -3.438
177 HA CYS 25 HA CYS 25 4.036 3.464 -5.986
178 HB2 CYS 25 2HB CYS 25 2.011 3.477 -4.763
179 HB3 CYS 25 3HB CYS 25 3.176 2.650 -3.772
180 H ARG 26 H ARG 26 3.416 6.073 -3.761
181 HA ARG 26 HA ARG 26 3.795 8.251 -5.723
182 HB2 ARG 26 2HB ARG 26 1.427 8.965 -5.658
183 HB3 ARG 26 3HB ARG 26 1.656 7.406 -6.433
184 HG2 ARG 26 2HG ARG 26 0.934 6.307 -4.241
185 HG3 ARG 26 3HG ARG 26 0.504 7.924 -3.660
186 HD2 ARG 26 2HD ARG 26 -1.080 8.143 -5.574
187 HD3 ARG 26 3HD ARG 26 -0.621 6.533 -6.123
188 HE ARG 26 HE ARG 26 -1.655 5.545 -4.184
189 HH11 ARG 26 1HH1 ARG 26 -2.072 9.058 -3.971
190 HH12 ARG 26 2HH1 ARG 26 -3.515 8.834 -2.987
191 HH21 ARG 26 1HH2 ARG 26 -3.464 5.437 -2.956
192 HH22 ARG 26 2HH2 ARG 26 -4.120 6.891 -2.258
193 H GLN 27 H GLN 27 2.550 7.422 -2.439
194 HA GLN 27 HA GLN 27 3.663 9.990 -1.450
195 HB2 GLN 27 2HB GLN 27 1.289 10.220 -2.528
196 HB3 GLN 27 3HB GLN 27 0.704 9.416 -1.084
197 HG2 GLN 27 2HG GLN 27 0.447 11.848 -0.968
198 HG3 GLN 27 3HG GLN 27 1.537 11.310 0.294
199 HE21 GLN 27 1HE2 GLN 27 3.598 12.303 0.387
200 HE22 GLN 27 2HE2 GLN 27 4.209 13.323 -0.907
201 H PHE 28 H PHE 28 3.708 6.845 -0.718
202 HA PHE 28 HA PHE 28 2.752 6.642 1.963
203 HB2 PHE 28 2HB PHE 28 3.429 4.732 0.522
204 HB3 PHE 28 3HB PHE 28 5.106 5.233 0.676
205 HD1 PHE 28 HD1 PHE 28 2.152 4.199 2.754
206 HD2 PHE 28 HD2 PHE 28 6.446 4.394 2.448
207 HE1 PHE 28 HE1 PHE 28 2.366 2.895 4.855
208 HE2 PHE 28 HE2 PHE 28 6.653 3.038 4.515
209 HZ PHE 28 HZ PHE 28 4.618 2.289 5.725
210 H ARG 29 H ARG 29 3.654 6.963 3.939
211 HA ARG 29 HA ARG 29 6.416 8.077 4.146
212 HB2 ARG 29 2HB ARG 29 4.772 9.872 4.399
213 HB3 ARG 29 3HB ARG 29 3.939 8.976 5.651
214 HG2 ARG 29 2HG ARG 29 5.263 10.673 6.692
215 HG3 ARG 29 3HG ARG 29 6.004 9.118 7.086
216 HD2 ARG 29 2HD ARG 29 7.693 9.470 5.304
217 HD3 ARG 29 3HD ARG 29 6.903 10.989 4.849
218 HE ARG 29 HE ARG 29 7.701 10.927 7.662
219 HH11 ARG 29 1HH1 ARG 29 8.974 11.620 4.411
220 HH12 ARG 29 2HH1 ARG 29 10.253 12.590 5.110
221 HH21 ARG 29 1HH2 ARG 29 9.284 12.143 8.365
222 HH22 ARG 29 2HH2 ARG 29 10.483 12.828 7.278
223 HA PRO 30 HA PRO 30 6.585 4.383 6.753
224 HB2 PRO 30 2HB PRO 30 9.357 5.407 7.317
225 HB3 PRO 30 3HB PRO 30 8.836 3.760 6.857
226 HG2 PRO 30 2HG PRO 30 10.016 5.401 5.043
227 HG3 PRO 30 3HG PRO 30 8.623 4.375 4.569
228 HD2 PRO 30 2HD PRO 30 8.627 7.302 5.341
229 HD3 PRO 30 3HD PRO 30 7.822 6.497 3.954
230 HA PRO 31 HA PRO 31 7.351 3.133 8.619
231 HB2 PRO 31 2HB PRO 31 6.300 2.110 10.893
232 HB3 PRO 31 3HB PRO 31 7.873 2.964 10.862
233 HG2 PRO 31 2HG PRO 31 5.146 4.130 11.557
234 HG3 PRO 31 3HG PRO 31 6.655 4.217 12.521
235 HD2 PRO 31 2HD PRO 31 5.950 6.235 10.886
236 HD3 PRO 31 3HD PRO 31 7.654 5.732 11.016
237 H SER 32 H SER 32 4.143 4.666 9.158
238 HA SER 32 HA SER 32 2.899 2.327 7.771
239 HB2 SER 32 2HB SER 32 3.007 2.128 10.361
240 HB3 SER 32 3HB SER 32 1.728 3.343 10.358
241 HG SER 32 HG SER 32 1.729 0.782 9.088
242 H SER 33 H SER 33 3.158 5.454 7.245
243 HA SER 33 HA SER 33 0.245 6.057 7.113
244 HB2 SER 33 2HB SER 33 2.663 7.826 6.838
245 HB3 SER 33 3HB SER 33 0.979 8.357 6.638
246 HG SER 33 HG SER 33 1.993 8.625 8.753
247 H CYS 34 H CYS 34 -0.262 4.680 5.462
248 HA CYS 34 HA CYS 34 0.113 5.821 2.719
249 HB2 CYS 34 2HB CYS 34 -0.235 3.382 2.738
250 HB3 CYS 34 3HB CYS 34 -1.713 3.593 3.714
251 H ILE 35 H ILE 35 -1.666 6.948 1.773
252 HA ILE 35 HA ILE 35 -3.231 8.465 3.802
253 HB ILE 35 HB ILE 35 -3.668 10.095 2.082
254 HG12 ILE 35 2HG1 ILE 35 -1.776 8.488 0.294
255 HG13 ILE 35 3HG1 ILE 35 -3.528 8.609 0.079
256 HG21 ILE 35 1HG2 ILE 35 -0.688 9.513 2.355
257 HG22 ILE 35 2HG2 ILE 35 -1.475 11.096 2.184
258 HG23 ILE 35 3HG2 ILE 35 -1.700 10.166 3.658
259 HD11 ILE 35 1HD1 ILE 35 -1.553 10.918 -0.065
260 HD12 ILE 35 2HD1 ILE 35 -2.432 10.183 -1.411
261 HD13 ILE 35 3HD1 ILE 35 -3.321 11.071 -0.158
262 H THR 36 H THR 36 -3.790 5.883 1.608
263 HA THR 36 HA THR 36 -6.708 6.583 1.442
264 HB THR 36 HB THR 36 -5.065 4.796 -0.371
265 HG1 THR 36 HG1 THR 36 -5.988 7.474 -0.633
266 HG21 THR 36 1HG2 THR 36 -6.956 5.118 -1.949
267 HG22 THR 36 2HG2 THR 36 -7.451 4.228 -0.512
268 HG23 THR 36 3HG2 THR 36 -7.876 5.948 -0.675
269 H VAL 37 H VAL 37 -4.545 3.882 2.374
270 HA VAL 37 HA VAL 37 -6.921 2.128 2.461
271 HB VAL 37 HB VAL 37 -5.570 0.289 2.171
272 HG11 VAL 37 1HG1 VAL 37 -4.116 2.404 0.538
273 HG12 VAL 37 2HG1 VAL 37 -4.451 0.723 0.113
274 HG13 VAL 37 3HG1 VAL 37 -5.784 1.902 0.204
275 HG21 VAL 37 1HG2 VAL 37 -3.771 0.681 3.778
276 HG22 VAL 37 2HG2 VAL 37 -3.101 0.303 2.188
277 HG23 VAL 37 3HG2 VAL 37 -3.116 1.983 2.751
278 H GLU 38 H GLU 38 -7.270 0.520 3.994
279 HA GLU 38 HA GLU 38 -7.491 1.255 6.654
280 HB2 GLU 38 2HB GLU 38 -7.871 -1.204 7.069
281 HB3 GLU 38 3HB GLU 38 -8.815 -0.544 5.743
282 HG2 GLU 38 2HG GLU 38 -7.451 -1.590 4.096
283 HG3 GLU 38 3HG GLU 38 -6.190 -1.953 5.264
284 H SER 39 H SER 39 -6.324 1.192 8.524
285 HA SER 39 HA SER 39 -3.523 0.500 8.489
286 HB2 SER 39 2HB SER 39 -3.605 1.081 10.891
287 HB3 SER 39 3HB SER 39 -4.315 2.325 9.851
288 HG SER 39 HG SER 39 -5.589 1.913 11.680
289 HA PRO 40 HA PRO 40 -1.886 -0.139 9.973
290 HB2 PRO 40 2HB PRO 40 -0.032 -2.040 10.450
291 HB3 PRO 40 3HB PRO 40 -1.170 -1.509 11.718
292 HG2 PRO 40 2HG PRO 40 -1.362 -3.962 9.941
293 HG3 PRO 40 3HG PRO 40 -1.604 -3.858 11.713
294 HD2 PRO 40 2HD PRO 40 -3.670 -3.802 9.867
295 HD3 PRO 40 3HD PRO 40 -3.756 -3.004 11.459
296 H ILE 41 H ILE 41 -0.301 0.316 8.452
297 HA ILE 41 HA ILE 41 -0.181 -1.398 6.004
298 HB ILE 41 HB ILE 41 0.571 1.532 6.259
299 HG12 ILE 41 2HG1 ILE 41 -1.478 1.457 4.460
300 HG13 ILE 41 3HG1 ILE 41 -1.981 0.127 5.483
301 HG21 ILE 41 1HG2 ILE 41 0.410 -0.329 3.845
302 HG22 ILE 41 2HG2 ILE 41 0.686 1.412 3.767
303 HG23 ILE 41 3HG2 ILE 41 1.891 0.380 4.522
304 HD11 ILE 41 1HD1 ILE 41 -1.501 3.032 6.279
305 HD12 ILE 41 2HD1 ILE 41 -3.045 2.170 6.230
306 HD13 ILE 41 3HD1 ILE 41 -1.844 1.755 7.463
307 H SER 42 H SER 42 1.720 -2.198 5.300
308 HA SER 42 HA SER 42 4.241 -1.452 6.682
309 HB2 SER 42 2HB SER 42 3.513 -4.298 5.916
310 HB3 SER 42 3HB SER 42 5.062 -3.733 6.571
311 HG SER 42 HG SER 42 2.716 -4.301 7.836
312 H GLU 43 H GLU 43 6.082 -1.375 5.306
313 HA GLU 43 HA GLU 43 5.177 -0.104 2.997
314 HB2 GLU 43 2HB GLU 43 7.459 0.479 2.574
315 HB3 GLU 43 3HB GLU 43 7.121 0.603 4.303
316 HG2 GLU 43 2HG GLU 43 8.283 -1.461 4.792
317 HG3 GLU 43 3HG GLU 43 8.423 -1.827 3.086
318 H ASN 44 H ASN 44 5.932 -3.434 3.150
319 HA ASN 44 HA ASN 44 6.555 -3.685 0.285
320 HB2 ASN 44 2HB ASN 44 6.972 -6.004 0.744
321 HB3 ASN 44 3HB ASN 44 7.785 -5.056 1.978
322 HD21 ASN 44 1HD2 ASN 44 7.902 -7.191 2.889
323 HD22 ASN 44 2HD2 ASN 44 6.623 -7.524 4.044
324 H GLY 45 H GLY 45 3.695 -3.163 1.842
325 HA2 GLY 45 2HA GLY 45 1.827 -5.036 1.009
326 HA3 GLY 45 3HA GLY 45 1.524 -3.320 1.208
327 H TRP 46 H TRP 46 2.089 -1.921 -0.636
328 HA TRP 46 HA TRP 46 1.642 -1.157 -2.677
329 HB2 TRP 46 2HB TRP 46 3.053 -3.158 -3.654
330 HB3 TRP 46 3HB TRP 46 1.497 -3.860 -3.969
331 HD1 TRP 46 HD1 TRP 46 3.248 -0.472 -4.777
332 HE1 TRP 46 HE1 TRP 46 2.580 0.252 -7.145
333 HE3 TRP 46 HE3 TRP 46 -0.018 -4.245 -5.883
334 HZ2 TRP 46 HZ2 TRP 46 0.637 -0.536 -9.128
335 HZ3 TRP 46 HZ3 TRP 46 -1.202 -4.283 -8.057
336 HH2 TRP 46 HH2 TRP 46 -0.924 -2.407 -9.670
337 H CYS 47 H CYS 47 -0.164 -0.597 -3.803
338 HA CYS 47 HA CYS 47 -2.524 -2.354 -3.765
339 HB2 CYS 47 2HB CYS 47 -3.985 -0.671 -2.922
340 HB3 CYS 47 3HB CYS 47 -2.580 -0.563 -1.860
341 H ARG 48 H ARG 48 -4.129 -1.600 -5.418
342 HA ARG 48 HA ARG 48 -2.675 -0.962 -7.878
343 HB2 ARG 48 2HB ARG 48 -5.548 -1.813 -7.388
344 HB3 ARG 48 3HB ARG 48 -4.816 -1.596 -8.993
345 HG2 ARG 48 2HG ARG 48 -3.197 -3.315 -8.625
346 HG3 ARG 48 3HG ARG 48 -3.599 -3.440 -6.909
347 HD2 ARG 48 2HD ARG 48 -5.969 -4.106 -7.782
348 HD3 ARG 48 3HD ARG 48 -5.120 -4.489 -9.282
349 HE ARG 48 HE ARG 48 -3.610 -5.969 -7.932
350 HH11 ARG 48 1HH1 ARG 48 -6.877 -5.441 -6.704
351 HH12 ARG 48 2HH1 ARG 48 -6.729 -6.761 -5.578
352 HH21 ARG 48 1HH2 ARG 48 -3.366 -7.270 -6.155
353 HH22 ARG 48 2HH2 ARG 48 -4.761 -7.655 -5.174
354 H LEU 49 H LEU 49 -2.683 1.118 -6.221
355 HA LEU 49 HA LEU 49 -2.964 3.331 -5.934
356 HB2 LEU 49 2HB LEU 49 -2.413 3.222 -8.902
357 HB3 LEU 49 3HB LEU 49 -2.007 4.522 -7.784
358 HG LEU 49 HG LEU 49 -0.815 1.720 -7.862
359 HD11 LEU 49 1HD1 LEU 49 0.373 4.493 -8.256
360 HD12 LEU 49 2HD1 LEU 49 1.256 2.946 -8.329
361 HD13 LEU 49 3HD1 LEU 49 0.012 3.314 -9.534
362 HD21 LEU 49 1HD2 LEU 49 -0.971 2.428 -5.473
363 HD22 LEU 49 2HD2 LEU 49 0.672 2.381 -6.065
364 HD23 LEU 49 3HD2 LEU 49 -0.153 3.957 -5.886
365 H TYR 50 H TYR 50 -4.729 4.200 -5.269
366 HA TYR 50 HA TYR 50 -7.095 4.731 -6.849
367 HB2 TYR 50 2HB TYR 50 -7.092 4.262 -4.439
368 HB3 TYR 50 3HB TYR 50 -6.112 5.690 -4.140
369 HD1 TYR 50 HD1 TYR 50 -9.420 4.723 -5.690
370 HD2 TYR 50 HD2 TYR 50 -7.190 7.623 -3.393
371 HE1 TYR 50 HE1 TYR 50 -11.502 6.037 -5.311
372 HE2 TYR 50 HE2 TYR 50 -9.270 8.925 -3.016
373 HH TYR 50 HH TYR 50 -11.490 9.016 -3.318
374 H ALA 51 H ALA 51 -4.092 6.325 -6.816
375 HA ALA 51 HA ALA 51 -5.211 8.601 -8.278
376 HB1 ALA 51 1HB ALA 51 -5.022 9.361 -5.886
377 HB2 ALA 51 2HB ALA 51 -3.275 9.026 -5.977
378 HB3 ALA 51 3HB ALA 51 -3.990 10.275 -7.000
379 H GLY 52 H GLY 52 -3.533 9.848 -9.418
380 HA2 GLY 52 2HA GLY 52 -1.895 8.082 -10.941
381 HA3 GLY 52 3HA GLY 52 -2.073 9.799 -11.160
382 H LYS 53 H LYS 53 0.256 9.013 -11.768
383 HA LYS 53 HA LYS 53 2.212 9.623 -9.599
384 HB2 LYS 53 2HB LYS 53 2.416 8.475 -12.399
385 HB3 LYS 53 3HB LYS 53 3.754 9.410 -11.757
386 HG2 LYS 53 2HG LYS 53 4.074 7.010 -11.479
387 HG3 LYS 53 3HG LYS 53 4.128 7.890 -9.949
388 HD2 LYS 53 2HD LYS 53 1.997 7.080 -9.268
389 HD3 LYS 53 3HD LYS 53 1.609 6.467 -10.878
390 HE2 LYS 53 2HE LYS 53 3.936 5.409 -9.196
391 HE3 LYS 53 3HE LYS 53 2.305 4.763 -9.100
392 HZ1 LYS 53 1HZ LYS 53 3.350 3.413 -10.659
393 HZ2 LYS 53 2HZ LYS 53 2.493 4.413 -11.601
394 HZ3 LYS 53 3HZ LYS 53 4.120 4.630 -11.428
395 H ALA 54 H ALA 54 2.685 11.633 -9.348
396 HA ALA 54 HA ALA 54 1.862 13.822 -11.080
397 HB1 ALA 54 1HB ALA 54 3.789 13.782 -8.713
398 HB2 ALA 54 2HB ALA 54 3.071 15.225 -9.459
399 HB3 ALA 54 3HB ALA 54 2.035 14.054 -8.625
Start of MODEL 13
1 H1 VAL 1 1H VAL 1 -10.529 7.120 16.481
2 H2 VAL 1 2H VAL 1 -10.905 5.666 15.824
3 H3 VAL 1 3H VAL 1 -12.095 6.743 16.154
4 HA VAL 1 HA VAL 1 -11.413 8.235 14.476
5 HB VAL 1 HB VAL 1 -9.565 7.812 13.013
6 HG11 VAL 1 1HG1 VAL 1 -8.397 7.657 15.801
7 HG12 VAL 1 2HG1 VAL 1 -7.826 8.562 14.398
8 HG13 VAL 1 3HG1 VAL 1 -9.298 9.080 15.237
9 HG21 VAL 1 1HG2 VAL 1 -9.256 5.393 13.047
10 HG22 VAL 1 2HG2 VAL 1 -7.767 6.183 13.543
11 HG23 VAL 1 3HG2 VAL 1 -8.805 5.434 14.769
12 H THR 2 H THR 2 -12.397 8.090 12.408
13 HA THR 2 HA THR 2 -13.786 5.593 11.820
14 HB THR 2 HB THR 2 -13.591 8.110 10.125
15 HG1 THR 2 HG1 THR 2 -15.688 8.441 11.062
16 HG21 THR 2 1HG2 THR 2 -15.607 5.811 10.136
17 HG22 THR 2 2HG2 THR 2 -15.748 7.305 9.185
18 HG23 THR 2 3HG2 THR 2 -14.448 6.176 8.836
19 H LYS 3 H LYS 3 -13.317 4.033 10.356
20 HA LYS 3 HA LYS 3 -10.624 3.656 9.496
21 HB2 LYS 3 2HB LYS 3 -12.446 1.955 10.121
22 HB3 LYS 3 3HB LYS 3 -13.100 2.215 8.508
23 HG2 LYS 3 2HG LYS 3 -10.698 1.518 7.700
24 HG3 LYS 3 3HG LYS 3 -10.454 0.958 9.349
25 HD2 LYS 3 2HD LYS 3 -12.261 -0.629 9.161
26 HD3 LYS 3 3HD LYS 3 -12.857 0.125 7.666
27 HE2 LYS 3 2HE LYS 3 -10.806 -0.489 6.479
28 HE3 LYS 3 3HE LYS 3 -10.162 -1.251 7.952
29 HZ1 LYS 3 1HZ LYS 3 -12.020 -2.787 7.885
30 HZ2 LYS 3 2HZ LYS 3 -12.610 -2.094 6.511
31 HZ3 LYS 3 3HZ LYS 3 -11.153 -2.896 6.497
32 H LYS 4 H LYS 4 -9.681 3.553 7.454
33 HA LYS 4 HA LYS 4 -11.045 4.863 5.142
34 HB2 LYS 4 2HB LYS 4 -8.149 4.015 5.575
35 HB3 LYS 4 3HB LYS 4 -8.778 4.790 4.115
36 HG2 LYS 4 2HG LYS 4 -9.793 6.461 6.021
37 HG3 LYS 4 3HG LYS 4 -8.306 5.958 6.813
38 HD2 LYS 4 2HD LYS 4 -7.689 7.919 5.676
39 HD3 LYS 4 3HD LYS 4 -7.156 6.645 4.559
40 HE2 LYS 4 2HE LYS 4 -9.352 6.879 3.341
41 HE3 LYS 4 3HE LYS 4 -9.813 8.175 4.452
42 HZ1 LYS 4 1HZ LYS 4 -7.900 9.462 3.610
43 HZ2 LYS 4 2HZ LYS 4 -7.523 8.234 2.577
44 HZ3 LYS 4 3HZ LYS 4 -8.926 9.056 2.401
45 H ALA 5 H ALA 5 -10.212 3.815 2.971
46 HA ALA 5 HA ALA 5 -12.037 1.678 2.625
47 HB1 ALA 5 1HB ALA 5 -11.352 3.249 0.840
48 HB2 ALA 5 2HB ALA 5 -9.736 2.502 0.807
49 HB3 ALA 5 3HB ALA 5 -11.163 1.560 0.330
50 H SER 6 H SER 6 -11.915 -0.545 2.542
51 HA SER 6 HA SER 6 -9.976 -1.703 4.170
52 HB2 SER 6 2HB SER 6 -11.050 -3.802 3.826
53 HB3 SER 6 3HB SER 6 -12.298 -2.549 3.862
54 HG SER 6 HG SER 6 -12.689 -3.946 2.145
55 H HIS 7 H HIS 7 -8.527 -3.442 3.898
56 HA HIS 7 HA HIS 7 -6.600 -3.513 1.899
57 HB2 HIS 7 2HB HIS 7 -7.812 -5.771 3.522
58 HB3 HIS 7 3HB HIS 7 -6.592 -6.110 2.307
59 HD2 HIS 7 HD2 HIS 7 -5.918 -2.879 4.149
60 HE1 HIS 7 HE1 HIS 7 -3.365 -5.783 5.923
61 HE2 HIS 7 HE2 HIS 7 -3.952 -3.305 5.819
62 H LYS 8 H LYS 8 -9.670 -5.302 1.599
63 HA LYS 8 HA LYS 8 -9.186 -6.236 -1.110
64 HB2 LYS 8 2HB LYS 8 -10.735 -7.352 0.371
65 HB3 LYS 8 3HB LYS 8 -11.738 -5.901 0.466
66 HG2 LYS 8 2HG LYS 8 -12.745 -7.423 -0.997
67 HG3 LYS 8 3HG LYS 8 -12.219 -6.073 -1.970
68 HD2 LYS 8 2HD LYS 8 -10.327 -7.383 -2.846
69 HD3 LYS 8 3HD LYS 8 -10.738 -8.738 -1.770
70 HE2 LYS 8 2HE LYS 8 -12.892 -9.041 -2.889
71 HE3 LYS 8 3HE LYS 8 -12.617 -7.615 -3.900
72 HZ1 LYS 8 1HZ LYS 8 -10.821 -8.735 -4.988
73 HZ2 LYS 8 2HZ LYS 8 -10.906 -10.039 -3.975
74 HZ3 LYS 8 3HZ LYS 8 -12.114 -9.730 -5.052
75 H ASP 9 H ASP 9 -11.266 -3.595 0.081
76 HA ASP 9 HA ASP 9 -12.241 -2.669 -2.350
77 HB2 ASP 9 2HB ASP 9 -12.782 -2.048 0.094
78 HB3 ASP 9 3HB ASP 9 -11.568 -0.798 -0.087
79 H ALA 10 H ALA 10 -9.256 -1.548 -0.729
80 HA ALA 10 HA ALA 10 -8.544 0.216 -2.968
81 HB1 ALA 10 1HB ALA 10 -8.144 0.789 -0.586
82 HB2 ALA 10 2HB ALA 10 -6.970 -0.542 -0.487
83 HB3 ALA 10 3HB ALA 10 -6.673 0.837 -1.575
84 H GLY 11 H GLY 11 -8.274 -3.098 -2.761
85 HA2 GLY 11 2HA GLY 11 -7.211 -4.607 -4.102
86 HA3 GLY 11 3HA GLY 11 -6.463 -3.281 -4.991
87 H TYR 12 H TYR 12 -5.971 -3.720 -1.518
88 HA TYR 12 HA TYR 12 -3.067 -3.715 -1.821
89 HB2 TYR 12 2HB TYR 12 -4.343 -2.481 -0.049
90 HB3 TYR 12 3HB TYR 12 -4.828 -4.029 0.634
91 HD1 TYR 12 HD1 TYR 12 -1.887 -1.854 -0.113
92 HD2 TYR 12 HD2 TYR 12 -3.390 -5.226 2.134
93 HE1 TYR 12 HE1 TYR 12 0.180 -1.881 1.237
94 HE2 TYR 12 HE2 TYR 12 -1.275 -5.272 3.456
95 HH TYR 12 HH TYR 12 1.411 -2.999 2.822
96 H GLN 13 H GLN 13 -1.643 -5.357 -0.901
97 HA GLN 13 HA GLN 13 -2.703 -8.135 -1.048
98 HB2 GLN 13 2HB GLN 13 -0.918 -8.600 -2.798
99 HB3 GLN 13 3HB GLN 13 -2.308 -7.671 -3.317
100 HG2 GLN 13 2HG GLN 13 -0.995 -5.560 -3.146
101 HG3 GLN 13 3HG GLN 13 0.412 -6.495 -2.619
102 HE21 GLN 13 1HE2 GLN 13 1.354 -5.321 -4.362
103 HE22 GLN 13 2HE2 GLN 13 1.397 -6.237 -5.834
104 H GLU 14 H GLU 14 -1.144 -9.818 -0.721
105 HA GLU 14 HA GLU 14 0.528 -9.245 1.611
106 HB2 GLU 14 2HB GLU 14 0.607 -11.588 1.962
107 HB3 GLU 14 3HB GLU 14 -1.033 -11.095 1.558
108 HG2 GLU 14 2HG GLU 14 -0.543 -11.893 -0.838
109 HG3 GLU 14 3HG GLU 14 0.926 -12.627 -0.186
110 H SER 15 H SER 15 1.249 -9.315 -1.708
111 HA SER 15 HA SER 15 4.076 -9.002 -1.073
112 HB2 SER 15 2HB SER 15 4.649 -10.540 -3.114
113 HB3 SER 15 3HB SER 15 4.419 -11.234 -1.522
114 HG SER 15 HG SER 15 3.280 -12.441 -3.033
115 HA PRO 16 HA PRO 16 4.151 -5.798 -3.998
116 HB2 PRO 16 2HB PRO 16 6.490 -7.202 -5.319
117 HB3 PRO 16 3HB PRO 16 6.327 -5.474 -4.891
118 HG2 PRO 16 2HG PRO 16 7.730 -7.134 -3.286
119 HG3 PRO 16 3HG PRO 16 6.597 -5.951 -2.563
120 HD2 PRO 16 2HD PRO 16 6.180 -8.921 -3.003
121 HD3 PRO 16 3HD PRO 16 5.721 -7.879 -1.628
122 H ASN 17 H ASN 17 3.651 -5.129 -6.145
123 HA ASN 17 HA ASN 17 2.413 -7.201 -7.867
124 HB2 ASN 17 2HB ASN 17 1.028 -5.235 -7.387
125 HB3 ASN 17 3HB ASN 17 2.275 -4.161 -7.980
126 HD21 ASN 17 1HD2 ASN 17 -0.098 -3.773 -9.075
127 HD22 ASN 17 2HD2 ASN 17 -0.303 -4.581 -10.613
128 H GLY 18 H GLY 18 4.526 -8.132 -8.333
129 HA2 GLY 18 2HA GLY 18 6.584 -8.370 -9.338
130 HA3 GLY 18 3HA GLY 18 5.946 -7.363 -10.640
131 H ALA 19 H ALA 19 6.931 -5.475 -10.976
132 HA ALA 19 HA ALA 19 9.213 -4.632 -9.485
133 HB1 ALA 19 1HB ALA 19 7.524 -3.179 -11.571
134 HB2 ALA 19 2HB ALA 19 9.155 -2.716 -11.052
135 HB3 ALA 19 3HB ALA 19 8.901 -4.257 -11.893
136 H LYS 20 H LYS 20 5.854 -3.908 -8.834
137 HA LYS 20 HA LYS 20 6.556 -1.339 -7.473
138 HB2 LYS 20 2HB LYS 20 3.802 -2.312 -8.310
139 HB3 LYS 20 3HB LYS 20 4.265 -0.733 -7.689
140 HG2 LYS 20 2HG LYS 20 4.163 -0.187 -9.856
141 HG3 LYS 20 3HG LYS 20 5.857 -0.679 -9.822
142 HD2 LYS 20 2HD LYS 20 5.157 -2.935 -10.709
143 HD3 LYS 20 3HD LYS 20 3.485 -2.385 -10.754
144 HE2 LYS 20 2HE LYS 20 5.809 -1.162 -12.318
145 HE3 LYS 20 3HE LYS 20 4.635 -2.317 -12.964
146 HZ1 LYS 20 1HZ LYS 20 4.002 0.423 -12.008
147 HZ2 LYS 20 2HZ LYS 20 4.015 -0.088 -13.560
148 HZ3 LYS 20 3HZ LYS 20 2.886 -0.673 -12.509
149 H ARG 21 H ARG 21 6.447 -1.083 -5.358
150 HA ARG 21 HA ARG 21 4.636 -2.797 -3.697
151 HB2 ARG 21 2HB ARG 21 6.225 -3.293 -2.071
152 HB3 ARG 21 3HB ARG 21 7.058 -3.578 -3.595
153 HG2 ARG 21 2HG ARG 21 8.035 -1.220 -3.352
154 HG3 ARG 21 3HG ARG 21 7.370 -1.211 -1.701
155 HD2 ARG 21 2HD ARG 21 9.205 -3.427 -2.740
156 HD3 ARG 21 3HD ARG 21 9.860 -1.929 -2.096
157 HE ARG 21 HE ARG 21 8.347 -2.559 -0.010
158 HH11 ARG 21 1HH1 ARG 21 10.332 -4.886 -1.831
159 HH12 ARG 21 2HH1 ARG 21 10.488 -5.888 -0.403
160 HH21 ARG 21 1HH2 ARG 21 9.409 -3.666 1.762
161 HH22 ARG 21 2HH2 ARG 21 9.905 -5.293 1.408
162 H CYS 22 H CYS 22 4.778 -1.715 -1.280
163 HA CYS 22 HA CYS 22 3.691 1.001 -1.537
164 HB2 CYS 22 2HB CYS 22 4.089 -0.990 0.713
165 HB3 CYS 22 3HB CYS 22 3.721 0.684 1.012
166 H GLY 23 H GLY 23 6.656 -0.380 -0.132
167 HA2 GLY 23 2HA GLY 23 7.541 1.410 1.593
168 HA3 GLY 23 3HA GLY 23 8.650 0.555 0.532
169 H THR 24 H THR 24 7.812 2.208 -1.897
170 HA THR 24 HA THR 24 9.137 4.783 -1.162
171 HB THR 24 HB THR 24 8.615 3.845 -3.988
172 HG1 THR 24 HG1 THR 24 10.520 2.995 -4.068
173 HG21 THR 24 1HG2 THR 24 9.097 6.253 -3.674
174 HG22 THR 24 2HG2 THR 24 10.572 5.844 -2.766
175 HG23 THR 24 3HG2 THR 24 10.437 5.433 -4.489
176 H CYS 25 H CYS 25 6.650 3.857 -3.546
177 HA CYS 25 HA CYS 25 4.727 4.856 -4.255
178 HB2 CYS 25 2HB CYS 25 4.058 3.549 -2.320
179 HB3 CYS 25 3HB CYS 25 4.407 4.866 -1.238
180 H ARG 26 H ARG 26 3.032 6.711 -3.512
181 HA ARG 26 HA ARG 26 4.488 9.296 -3.082
182 HB2 ARG 26 2HB ARG 26 2.997 10.492 -4.376
183 HB3 ARG 26 3HB ARG 26 3.358 9.066 -5.339
184 HG2 ARG 26 2HG ARG 26 1.132 8.099 -4.621
185 HG3 ARG 26 3HG ARG 26 0.814 9.616 -3.747
186 HD2 ARG 26 2HD ARG 26 1.284 10.834 -5.959
187 HD3 ARG 26 3HD ARG 26 1.236 9.241 -6.731
188 HE ARG 26 HE ARG 26 -1.128 9.922 -5.092
189 HH11 ARG 26 1HH1 ARG 26 0.229 10.253 -8.359
190 HH12 ARG 26 2HH1 ARG 26 -1.400 10.352 -9.031
191 HH21 ARG 26 1HH2 ARG 26 -3.127 10.286 -6.157
192 HH22 ARG 26 2HH2 ARG 26 -3.079 10.419 -7.908
193 H GLN 27 H GLN 27 2.450 7.074 -1.604
194 HA GLN 27 HA GLN 27 1.345 9.162 0.230
195 HB2 GLN 27 2HB GLN 27 -0.169 8.120 -1.597
196 HB3 GLN 27 3HB GLN 27 -0.078 6.640 -0.644
197 HG2 GLN 27 2HG GLN 27 -2.105 7.766 -0.073
198 HG3 GLN 27 3HG GLN 27 -1.051 7.925 1.309
199 HE21 GLN 27 1HE2 GLN 27 -2.983 9.629 -0.997
200 HE22 GLN 27 2HE2 GLN 27 -2.479 11.252 -0.493
201 H PHE 28 H PHE 28 3.123 6.190 0.185
202 HA PHE 28 HA PHE 28 2.286 4.912 2.484
203 HB2 PHE 28 2HB PHE 28 3.910 4.032 0.852
204 HB3 PHE 28 3HB PHE 28 5.118 5.174 1.405
205 HD1 PHE 28 HD1 PHE 28 2.784 2.706 3.107
206 HD2 PHE 28 HD2 PHE 28 6.828 4.101 2.575
207 HE1 PHE 28 HE1 PHE 28 3.579 1.071 4.802
208 HE2 PHE 28 HE2 PHE 28 7.616 2.461 4.262
209 HZ PHE 28 HZ PHE 28 5.988 0.956 5.393
210 H ARG 29 H ARG 29 4.539 7.627 2.395
211 HA ARG 29 HA ARG 29 5.636 8.827 4.105
212 HB2 ARG 29 2HB ARG 29 2.667 9.027 4.477
213 HB3 ARG 29 3HB ARG 29 3.736 9.859 5.591
214 HG2 ARG 29 2HG ARG 29 3.094 11.392 3.878
215 HG3 ARG 29 3HG ARG 29 4.829 11.084 3.799
216 HD2 ARG 29 2HD ARG 29 4.461 9.543 1.893
217 HD3 ARG 29 3HD ARG 29 2.722 9.862 1.979
218 HE ARG 29 HE ARG 29 3.311 12.283 1.534
219 HH11 ARG 29 1HH1 ARG 29 5.514 9.782 0.254
220 HH12 ARG 29 2HH1 ARG 29 6.175 10.957 -0.886
221 HH21 ARG 29 1HH2 ARG 29 4.223 13.551 -0.082
222 HH22 ARG 29 2HH2 ARG 29 5.530 12.879 -1.041
223 HA PRO 30 HA PRO 30 6.020 5.204 6.838
224 HB2 PRO 30 2HB PRO 30 8.766 6.440 7.140
225 HB3 PRO 30 3HB PRO 30 8.328 4.705 7.019
226 HG2 PRO 30 2HG PRO 30 9.235 5.981 4.837
227 HG3 PRO 30 3HG PRO 30 7.812 4.906 4.711
228 HD2 PRO 30 2HD PRO 30 7.867 7.920 4.902
229 HD3 PRO 30 3HD PRO 30 6.892 6.868 3.835
230 HA PRO 31 HA PRO 31 7.697 4.289 9.088
231 HB2 PRO 31 2HB PRO 31 6.421 3.018 11.147
232 HB3 PRO 31 3HB PRO 31 7.692 4.258 11.364
233 HG2 PRO 31 2HG PRO 31 4.686 4.669 11.438
234 HG3 PRO 31 3HG PRO 31 5.909 5.202 12.640
235 HD2 PRO 31 2HD PRO 31 5.027 6.894 10.722
236 HD3 PRO 31 3HD PRO 31 6.756 6.869 11.172
237 H SER 32 H SER 32 4.127 4.523 9.133
238 HA SER 32 HA SER 32 3.892 2.333 7.152
239 HB2 SER 32 2HB SER 32 2.282 1.129 8.744
240 HB3 SER 32 3HB SER 32 4.003 1.026 9.096
241 HG SER 32 HG SER 32 2.218 2.873 10.370
242 H SER 33 H SER 33 3.115 5.302 7.414
243 HA SER 33 HA SER 33 0.266 5.134 8.094
244 HB2 SER 33 2HB SER 33 1.954 7.595 7.833
245 HB3 SER 33 3HB SER 33 0.376 7.354 8.617
246 HG SER 33 HG SER 33 2.352 7.386 10.038
247 H CYS 34 H CYS 34 0.052 4.186 5.951
248 HA CYS 34 HA CYS 34 -0.333 5.970 3.643
249 HB2 CYS 34 2HB CYS 34 0.100 3.593 3.235
250 HB3 CYS 34 3HB CYS 34 -1.372 3.158 4.120
251 H ILE 35 H ILE 35 -2.298 6.486 2.721
252 HA ILE 35 HA ILE 35 -4.732 6.568 4.405
253 HB ILE 35 HB ILE 35 -5.194 8.892 3.884
254 HG12 ILE 35 2HG1 ILE 35 -2.322 9.024 2.875
255 HG13 ILE 35 3HG1 ILE 35 -3.771 9.080 1.852
256 HG21 ILE 35 1HG2 ILE 35 -2.564 8.585 5.386
257 HG22 ILE 35 2HG2 ILE 35 -3.803 9.833 5.611
258 HG23 ILE 35 3HG2 ILE 35 -4.168 8.163 6.038
259 HD11 ILE 35 1HD1 ILE 35 -2.900 11.115 3.922
260 HD12 ILE 35 2HD1 ILE 35 -3.036 11.335 2.165
261 HD13 ILE 35 3HD1 ILE 35 -4.499 11.101 3.143
262 H THR 36 H THR 36 -3.494 5.538 1.561
263 HA THR 36 HA THR 36 -5.916 5.979 -0.081
264 HB THR 36 HB THR 36 -3.660 3.961 -0.408
265 HG1 THR 36 HG1 THR 36 -2.612 5.393 -1.455
266 HG21 THR 36 1HG2 THR 36 -5.686 5.088 -2.393
267 HG22 THR 36 2HG2 THR 36 -4.288 4.075 -2.816
268 HG23 THR 36 3HG2 THR 36 -5.584 3.403 -1.823
269 H VAL 37 H VAL 37 -4.679 3.810 2.343
270 HA VAL 37 HA VAL 37 -7.020 1.970 2.167
271 HB VAL 37 HB VAL 37 -4.227 1.109 3.002
272 HG11 VAL 37 1HG1 VAL 37 -6.638 -0.406 1.907
273 HG12 VAL 37 2HG1 VAL 37 -5.035 -1.129 2.181
274 HG13 VAL 37 3HG1 VAL 37 -5.943 -0.504 3.542
275 HG21 VAL 37 1HG2 VAL 37 -3.789 1.903 0.795
276 HG22 VAL 37 2HG2 VAL 37 -3.908 0.156 0.697
277 HG23 VAL 37 3HG2 VAL 37 -5.268 1.165 0.157
278 H GLU 38 H GLU 38 -7.565 0.904 4.160
279 HA GLU 38 HA GLU 38 -7.438 2.149 6.690
280 HB2 GLU 38 2HB GLU 38 -7.972 -0.087 7.565
281 HB3 GLU 38 3HB GLU 38 -8.936 0.317 6.159
282 HG2 GLU 38 2HG GLU 38 -7.747 -1.245 4.799
283 HG3 GLU 38 3HG GLU 38 -6.453 -1.396 5.983
284 H SER 39 H SER 39 -5.971 2.152 8.425
285 HA SER 39 HA SER 39 -3.240 1.108 7.802
286 HB2 SER 39 2HB SER 39 -2.302 3.218 8.498
287 HB3 SER 39 3HB SER 39 -3.500 3.462 7.234
288 HG SER 39 HG SER 39 -3.708 4.957 8.898
289 HA PRO 40 HA PRO 40 -0.972 1.888 9.259
290 HB2 PRO 40 2HB PRO 40 0.777 0.104 10.321
291 HB3 PRO 40 3HB PRO 40 0.145 1.514 11.223
292 HG2 PRO 40 2HG PRO 40 -0.882 -1.345 11.296
293 HG3 PRO 40 3HG PRO 40 -0.435 -0.297 12.683
294 HD2 PRO 40 2HD PRO 40 -3.007 -0.511 11.878
295 HD3 PRO 40 3HD PRO 40 -2.347 1.072 12.383
296 H ILE 41 H ILE 41 0.481 1.019 7.670
297 HA ILE 41 HA ILE 41 -0.425 -1.472 6.286
298 HB ILE 41 HB ILE 41 0.108 1.330 5.326
299 HG12 ILE 41 2HG1 ILE 41 -2.194 0.515 5.783
300 HG13 ILE 41 3HG1 ILE 41 -1.951 1.083 4.144
301 HG21 ILE 41 1HG2 ILE 41 0.419 -1.053 3.491
302 HG22 ILE 41 2HG2 ILE 41 0.190 0.617 2.961
303 HG23 ILE 41 3HG2 ILE 41 1.636 0.176 3.867
304 HD11 ILE 41 1HD1 ILE 41 -1.960 -1.144 3.243
305 HD12 ILE 41 2HD1 ILE 41 -1.980 -1.877 4.863
306 HD13 ILE 41 3HD1 ILE 41 -3.370 -0.953 4.277
307 H SER 42 H SER 42 1.097 -2.695 5.128
308 HA SER 42 HA SER 42 3.849 -2.581 6.231
309 HB2 SER 42 2HB SER 42 2.620 -4.689 6.387
310 HB3 SER 42 3HB SER 42 2.486 -4.760 4.620
311 HG SER 42 HG SER 42 4.285 -5.931 5.564
312 H GLU 43 H GLU 43 5.648 -2.350 5.042
313 HA GLU 43 HA GLU 43 5.619 -0.728 2.733
314 HB2 GLU 43 2HB GLU 43 8.036 -1.096 2.693
315 HB3 GLU 43 3HB GLU 43 7.467 -0.781 4.332
316 HG2 GLU 43 2HG GLU 43 7.679 -3.081 4.980
317 HG3 GLU 43 3HG GLU 43 7.907 -3.591 3.315
318 H ASN 44 H ASN 44 5.153 -4.129 2.751
319 HA ASN 44 HA ASN 44 6.420 -4.591 0.132
320 HB2 ASN 44 2HB ASN 44 5.999 -6.941 0.567
321 HB3 ASN 44 3HB ASN 44 6.781 -6.194 1.958
322 HD21 ASN 44 1HD2 ASN 44 6.124 -8.149 2.987
323 HD22 ASN 44 2HD2 ASN 44 4.612 -7.983 3.850
324 H GLY 45 H GLY 45 3.371 -3.458 0.987
325 HA2 GLY 45 2HA GLY 45 1.614 -5.048 -0.493
326 HA3 GLY 45 3HA GLY 45 1.337 -3.377 -0.035
327 H TRP 46 H TRP 46 1.985 -1.702 -1.494
328 HA TRP 46 HA TRP 46 1.434 -0.641 -3.376
329 HB2 TRP 46 2HB TRP 46 2.974 -1.708 -4.805
330 HB3 TRP 46 3HB TRP 46 1.999 -3.159 -4.934
331 HD1 TRP 46 HD1 TRP 46 2.461 0.233 -6.458
332 HE1 TRP 46 HE1 TRP 46 0.920 0.502 -8.493
333 HE3 TRP 46 HE3 TRP 46 -0.568 -3.823 -5.717
334 HZ2 TRP 46 HZ2 TRP 46 -1.311 -0.890 -9.673
335 HZ3 TRP 46 HZ3 TRP 46 -2.429 -4.303 -7.286
336 HH2 TRP 46 HH2 TRP 46 -2.798 -2.857 -9.262
337 H CYS 47 H CYS 47 -0.442 -0.149 -4.455
338 HA CYS 47 HA CYS 47 -2.815 -1.893 -4.103
339 HB2 CYS 47 2HB CYS 47 -4.022 -0.135 -2.958
340 HB3 CYS 47 3HB CYS 47 -2.458 -0.216 -2.157
341 H ARG 48 H ARG 48 -4.704 -0.967 -5.334
342 HA ARG 48 HA ARG 48 -3.902 -0.533 -8.069
343 HB2 ARG 48 2HB ARG 48 -6.598 -0.842 -6.712
344 HB3 ARG 48 3HB ARG 48 -6.437 -0.618 -8.457
345 HG2 ARG 48 2HG ARG 48 -5.018 -2.606 -8.647
346 HG3 ARG 48 3HG ARG 48 -5.121 -2.881 -6.900
347 HD2 ARG 48 2HD ARG 48 -7.573 -3.153 -7.098
348 HD3 ARG 48 3HD ARG 48 -7.466 -2.892 -8.851
349 HE ARG 48 HE ARG 48 -5.702 -4.972 -8.445
350 HH11 ARG 48 1HH1 ARG 48 -9.120 -4.655 -7.645
351 HH12 ARG 48 2HH1 ARG 48 -9.271 -6.400 -7.462
352 HH21 ARG 48 1HH2 ARG 48 -6.018 -7.026 -8.410
353 HH22 ARG 48 2HH2 ARG 48 -7.571 -7.763 -8.040
354 H LEU 49 H LEU 49 -3.362 1.814 -6.300
355 HA LEU 49 HA LEU 49 -4.638 3.940 -7.937
356 HB2 LEU 49 2HB LEU 49 -4.188 4.374 -5.564
357 HB3 LEU 49 3HB LEU 49 -2.481 4.035 -5.800
358 HG LEU 49 HG LEU 49 -2.293 6.012 -7.308
359 HD11 LEU 49 1HD1 LEU 49 -4.579 6.170 -8.195
360 HD12 LEU 49 2HD1 LEU 49 -5.211 6.489 -6.560
361 HD13 LEU 49 3HD1 LEU 49 -4.149 7.664 -7.364
362 HD21 LEU 49 1HD2 LEU 49 -1.863 6.222 -4.886
363 HD22 LEU 49 2HD2 LEU 49 -2.558 7.711 -5.545
364 HD23 LEU 49 3HD2 LEU 49 -3.579 6.602 -4.605
365 H TYR 50 H TYR 50 -4.044 3.345 -10.056
366 HA TYR 50 HA TYR 50 -1.356 2.479 -10.711
367 HB2 TYR 50 2HB TYR 50 -3.781 3.114 -12.398
368 HB3 TYR 50 3HB TYR 50 -2.239 2.629 -13.079
369 HD1 TYR 50 HD1 TYR 50 -1.370 0.367 -12.867
370 HD2 TYR 50 HD2 TYR 50 -5.171 1.446 -11.155
371 HE1 TYR 50 HE1 TYR 50 -1.908 -2.039 -12.527
372 HE2 TYR 50 HE2 TYR 50 -5.710 -0.950 -10.822
373 HH TYR 50 HH TYR 50 -3.362 -3.529 -11.633
374 H ALA 51 H ALA 51 0.300 3.843 -10.608
375 HA ALA 51 HA ALA 51 0.158 6.491 -11.921
376 HB1 ALA 51 1HB ALA 51 1.001 6.041 -9.022
377 HB2 ALA 51 2HB ALA 51 1.010 7.592 -9.890
378 HB3 ALA 51 3HB ALA 51 -0.527 6.784 -9.544
379 H GLY 52 H GLY 52 2.076 7.540 -12.296
380 HA2 GLY 52 2HA GLY 52 4.175 6.024 -13.408
381 HA3 GLY 52 3HA GLY 52 4.116 7.773 -13.152
382 H LYS 53 H LYS 53 3.942 6.309 -10.238
383 HA LYS 53 HA LYS 53 6.764 6.834 -9.443
384 HB2 LYS 53 2HB LYS 53 4.151 6.417 -8.009
385 HB3 LYS 53 3HB LYS 53 5.589 5.803 -7.219
386 HG2 LYS 53 2HG LYS 53 5.049 8.002 -6.407
387 HG3 LYS 53 3HG LYS 53 6.631 7.963 -7.166
388 HD2 LYS 53 2HD LYS 53 5.849 9.168 -9.103
389 HD3 LYS 53 3HD LYS 53 4.165 8.953 -8.623
390 HE2 LYS 53 2HE LYS 53 4.887 11.239 -8.179
391 HE3 LYS 53 3HE LYS 53 4.452 10.407 -6.688
392 HZ1 LYS 53 1HZ LYS 53 6.816 10.126 -6.202
393 HZ2 LYS 53 2HZ LYS 53 7.244 10.920 -7.596
394 HZ3 LYS 53 3HZ LYS 53 6.431 11.687 -6.400
395 H ALA 54 H ALA 54 8.112 5.337 -10.047
396 HA ALA 54 HA ALA 54 7.460 2.436 -9.902
397 HB1 ALA 54 1HB ALA 54 8.412 3.269 -11.992
398 HB2 ALA 54 2HB ALA 54 9.800 3.944 -11.131
399 HB3 ALA 54 3HB ALA 54 9.568 2.184 -11.191
Start of MODEL 14
1 H1 VAL 1 1H VAL 1 -17.077 14.421 0.764
2 H2 VAL 1 2H VAL 1 -16.857 12.812 0.501
3 H3 VAL 1 3H VAL 1 -16.031 13.936 -0.393
4 HA VAL 1 HA VAL 1 -14.841 14.705 1.492
5 HB VAL 1 HB VAL 1 -16.750 13.903 3.053
6 HG11 VAL 1 1HG1 VAL 1 -14.951 11.486 3.413
7 HG12 VAL 1 2HG1 VAL 1 -16.493 11.841 4.195
8 HG13 VAL 1 3HG1 VAL 1 -16.467 11.430 2.487
9 HG21 VAL 1 1HG2 VAL 1 -14.743 15.151 3.766
10 HG22 VAL 1 2HG2 VAL 1 -15.276 13.974 4.970
11 HG23 VAL 1 3HG2 VAL 1 -13.862 13.620 3.961
12 H THR 2 H THR 2 -12.735 13.977 1.722
13 HA THR 2 HA THR 2 -11.911 11.661 0.181
14 HB THR 2 HB THR 2 -10.172 13.309 2.039
15 HG1 THR 2 HG1 THR 2 -10.114 14.836 0.665
16 HG21 THR 2 1HG2 THR 2 -9.130 11.297 0.956
17 HG22 THR 2 2HG2 THR 2 -9.604 11.932 -0.628
18 HG23 THR 2 3HG2 THR 2 -8.433 12.819 0.374
19 H LYS 3 H LYS 3 -13.123 9.970 1.363
20 HA LYS 3 HA LYS 3 -12.033 9.167 4.018
21 HB2 LYS 3 2HB LYS 3 -14.559 9.197 3.433
22 HB3 LYS 3 3HB LYS 3 -14.214 7.759 2.481
23 HG2 LYS 3 2HG LYS 3 -14.964 6.891 4.504
24 HG3 LYS 3 3HG LYS 3 -13.216 6.766 4.675
25 HD2 LYS 3 2HD LYS 3 -13.270 8.950 5.966
26 HD3 LYS 3 3HD LYS 3 -15.029 8.926 5.870
27 HE2 LYS 3 2HE LYS 3 -13.374 6.680 7.109
28 HE3 LYS 3 3HE LYS 3 -13.953 8.066 8.034
29 HZ1 LYS 3 1HZ LYS 3 -15.458 6.137 8.194
30 HZ2 LYS 3 2HZ LYS 3 -16.243 7.411 7.492
31 HZ3 LYS 3 3HZ LYS 3 -15.723 6.155 6.598
32 H LYS 4 H LYS 4 -10.659 7.570 4.340
33 HA LYS 4 HA LYS 4 -9.149 6.420 2.216
34 HB2 LYS 4 2HB LYS 4 -9.265 5.717 5.180
35 HB3 LYS 4 3HB LYS 4 -8.042 5.152 4.028
36 HG2 LYS 4 2HG LYS 4 -7.487 7.541 3.506
37 HG3 LYS 4 3HG LYS 4 -8.636 8.068 4.700
38 HD2 LYS 4 2HD LYS 4 -6.437 8.165 5.680
39 HD3 LYS 4 3HD LYS 4 -7.390 6.912 6.493
40 HE2 LYS 4 2HE LYS 4 -6.268 5.204 4.966
41 HE3 LYS 4 3HE LYS 4 -5.251 6.509 4.359
42 HZ1 LYS 4 1HZ LYS 4 -4.556 6.839 6.728
43 HZ2 LYS 4 2HZ LYS 4 -5.368 5.475 7.126
44 HZ3 LYS 4 3HZ LYS 4 -4.079 5.405 6.068
45 H ALA 5 H ALA 5 -8.845 4.439 1.518
46 HA ALA 5 HA ALA 5 -11.241 2.742 1.325
47 HB1 ALA 5 1HB ALA 5 -9.998 3.352 -0.690
48 HB2 ALA 5 2HB ALA 5 -8.515 2.630 -0.028
49 HB3 ALA 5 3HB ALA 5 -9.904 1.601 -0.437
50 H SER 6 H SER 6 -11.370 0.523 1.837
51 HA SER 6 HA SER 6 -9.627 -0.509 3.968
52 HB2 SER 6 2HB SER 6 -11.053 -2.461 3.908
53 HB3 SER 6 3HB SER 6 -12.060 -1.004 3.907
54 HG SER 6 HG SER 6 -12.881 -2.275 2.352
55 H HIS 7 H HIS 7 -8.543 -2.628 3.721
56 HA HIS 7 HA HIS 7 -6.763 -2.793 1.482
57 HB2 HIS 7 2HB HIS 7 -7.606 -4.796 3.604
58 HB3 HIS 7 3HB HIS 7 -6.345 -5.126 2.426
59 HD2 HIS 7 HD2 HIS 7 -6.603 -1.683 4.291
60 HE1 HIS 7 HE1 HIS 7 -3.045 -3.625 5.576
61 HE2 HIS 7 HE2 HIS 7 -4.396 -1.431 5.635
62 H LYS 8 H LYS 8 -9.972 -4.172 1.925
63 HA LYS 8 HA LYS 8 -10.019 -5.883 -0.425
64 HB2 LYS 8 2HB LYS 8 -11.535 -6.125 1.466
65 HB3 LYS 8 3HB LYS 8 -12.226 -4.541 1.152
66 HG2 LYS 8 2HG LYS 8 -13.687 -6.172 0.288
67 HG3 LYS 8 3HG LYS 8 -13.020 -5.316 -1.079
68 HD2 LYS 8 2HD LYS 8 -13.190 -7.683 -1.586
69 HD3 LYS 8 3HD LYS 8 -11.485 -7.234 -1.517
70 HE2 LYS 8 2HE LYS 8 -11.386 -8.141 0.834
71 HE3 LYS 8 3HE LYS 8 -13.087 -8.612 0.698
72 HZ1 LYS 8 1HZ LYS 8 -12.472 -10.083 -1.127
73 HZ2 LYS 8 2HZ LYS 8 -10.896 -9.618 -1.032
74 HZ3 LYS 8 3HZ LYS 8 -11.591 -10.448 0.209
75 H ASP 9 H ASP 9 -11.392 -2.636 0.146
76 HA ASP 9 HA ASP 9 -12.269 -2.164 -2.516
77 HB2 ASP 9 2HB ASP 9 -12.938 -1.025 -0.385
78 HB3 ASP 9 3HB ASP 9 -11.433 -0.152 -0.430
79 H ALA 10 H ALA 10 -9.283 -1.189 -0.902
80 HA ALA 10 HA ALA 10 -8.087 0.157 -3.163
81 HB1 ALA 10 1HB ALA 10 -6.772 -1.033 -0.683
82 HB2 ALA 10 2HB ALA 10 -6.100 0.217 -1.752
83 HB3 ALA 10 3HB ALA 10 -7.532 0.570 -0.768
84 H GLY 11 H GLY 11 -8.573 -3.189 -2.741
85 HA2 GLY 11 2HA GLY 11 -7.842 -5.002 -3.941
86 HA3 GLY 11 3HA GLY 11 -7.127 -3.863 -5.087
87 H TYR 12 H TYR 12 -6.265 -4.277 -1.657
88 HA TYR 12 HA TYR 12 -3.454 -4.368 -1.930
89 HB2 TYR 12 2HB TYR 12 -4.750 -3.861 0.124
90 HB3 TYR 12 3HB TYR 12 -5.302 -5.527 0.190
91 HD1 TYR 12 HD1 TYR 12 -3.744 -7.386 0.795
92 HD2 TYR 12 HD2 TYR 12 -2.603 -3.227 1.030
93 HE1 TYR 12 HE1 TYR 12 -1.894 -7.978 2.340
94 HE2 TYR 12 HE2 TYR 12 -0.798 -3.831 2.647
95 HH TYR 12 HH TYR 12 -0.160 -7.213 3.583
96 H GLN 13 H GLN 13 -1.932 -6.106 -1.713
97 HA GLN 13 HA GLN 13 -2.901 -8.863 -2.221
98 HB2 GLN 13 2HB GLN 13 -1.179 -9.123 -4.021
99 HB3 GLN 13 3HB GLN 13 -2.552 -8.105 -4.417
100 HG2 GLN 13 2HG GLN 13 -1.114 -6.065 -3.995
101 HG3 GLN 13 3HG GLN 13 0.253 -7.144 -3.701
102 HE21 GLN 13 1HE2 GLN 13 1.577 -6.677 -5.256
103 HE22 GLN 13 2HE2 GLN 13 1.196 -6.945 -6.941
104 H GLU 14 H GLU 14 -1.692 -10.499 -1.466
105 HA GLU 14 HA GLU 14 0.248 -9.920 0.579
106 HB2 GLU 14 2HB GLU 14 0.269 -12.345 0.952
107 HB3 GLU 14 3HB GLU 14 -1.280 -11.510 1.032
108 HG2 GLU 14 2HG GLU 14 -1.658 -13.599 0.027
109 HG3 GLU 14 3HG GLU 14 -1.903 -12.340 -1.167
110 H SER 15 H SER 15 0.676 -10.211 -2.679
111 HA SER 15 HA SER 15 3.524 -11.087 -2.461
112 HB2 SER 15 2HB SER 15 3.113 -12.127 -4.803
113 HB3 SER 15 3HB SER 15 2.558 -12.968 -3.358
114 HG SER 15 HG SER 15 0.538 -12.567 -3.871
115 HA PRO 16 HA PRO 16 4.686 -7.552 -4.310
116 HB2 PRO 16 2HB PRO 16 7.041 -8.077 -5.609
117 HB3 PRO 16 3HB PRO 16 6.831 -8.287 -3.844
118 HG2 PRO 16 2HG PRO 16 6.646 -10.395 -5.999
119 HG3 PRO 16 3HG PRO 16 7.558 -10.464 -4.455
120 HD2 PRO 16 2HD PRO 16 5.096 -11.572 -4.765
121 HD3 PRO 16 3HD PRO 16 5.575 -10.851 -3.212
122 H ASN 17 H ASN 17 4.642 -6.104 -5.960
123 HA ASN 17 HA ASN 17 3.774 -7.008 -8.657
124 HB2 ASN 17 2HB ASN 17 2.369 -5.321 -7.567
125 HB3 ASN 17 3HB ASN 17 3.732 -4.237 -7.410
126 HD21 ASN 17 1HD2 ASN 17 1.495 -3.301 -8.642
127 HD22 ASN 17 2HD2 ASN 17 1.720 -3.198 -10.369
128 H GLY 18 H GLY 18 6.008 -7.976 -8.692
129 HA2 GLY 18 2HA GLY 18 8.216 -7.997 -9.404
130 HA3 GLY 18 3HA GLY 18 7.904 -6.464 -10.227
131 H ALA 19 H ALA 19 8.863 -4.683 -9.435
132 HA ALA 19 HA ALA 19 10.140 -4.694 -6.739
133 HB1 ALA 19 1HB ALA 19 11.638 -4.377 -8.662
134 HB2 ALA 19 2HB ALA 19 10.689 -2.960 -9.173
135 HB3 ALA 19 3HB ALA 19 11.570 -2.933 -7.633
136 H LYS 20 H LYS 20 7.340 -3.368 -8.327
137 HA LYS 20 HA LYS 20 7.282 -0.786 -6.958
138 HB2 LYS 20 2HB LYS 20 5.122 -2.453 -8.314
139 HB3 LYS 20 3HB LYS 20 4.909 -0.792 -7.781
140 HG2 LYS 20 2HG LYS 20 5.984 0.088 -9.565
141 HG3 LYS 20 3HG LYS 20 7.253 -1.135 -9.586
142 HD2 LYS 20 2HD LYS 20 5.836 -2.728 -10.742
143 HD3 LYS 20 3HD LYS 20 4.424 -1.682 -10.539
144 HE2 LYS 20 2HE LYS 20 5.629 0.089 -11.880
145 HE3 LYS 20 3HE LYS 20 6.923 -1.069 -12.194
146 HZ1 LYS 20 1HZ LYS 20 5.191 -0.888 -13.973
147 HZ2 LYS 20 2HZ LYS 20 5.356 -2.434 -13.415
148 HZ3 LYS 20 3HZ LYS 20 4.088 -1.521 -12.953
149 H ARG 21 H ARG 21 6.534 -0.343 -4.927
150 HA ARG 21 HA ARG 21 4.857 -2.337 -3.472
151 HB2 ARG 21 2HB ARG 21 6.217 -2.520 -1.644
152 HB3 ARG 21 3HB ARG 21 7.384 -2.550 -2.943
153 HG2 ARG 21 2HG ARG 21 7.867 -0.078 -2.471
154 HG3 ARG 21 3HG ARG 21 6.785 -0.195 -1.095
155 HD2 ARG 21 2HD ARG 21 8.103 -2.011 -0.115
156 HD3 ARG 21 3HD ARG 21 9.279 -1.838 -1.418
157 HE ARG 21 HE ARG 21 8.839 -0.008 0.861
158 HH11 ARG 21 1HH1 ARG 21 10.477 -0.258 -2.285
159 HH12 ARG 21 2HH1 ARG 21 11.701 0.874 -1.736
160 HH21 ARG 21 1HH2 ARG 21 10.352 1.328 1.361
161 HH22 ARG 21 2HH2 ARG 21 11.607 1.807 0.209
162 H CYS 22 H CYS 22 4.550 -0.918 -1.056
163 HA CYS 22 HA CYS 22 3.345 1.664 -1.693
164 HB2 CYS 22 2HB CYS 22 4.195 0.400 0.938
165 HB3 CYS 22 3HB CYS 22 3.204 1.869 0.749
166 H GLY 23 H GLY 23 5.702 1.938 0.815
167 HA2 GLY 23 2HA GLY 23 7.751 2.932 1.052
168 HA3 GLY 23 3HA GLY 23 8.086 2.332 -0.567
169 H THR 24 H THR 24 7.328 3.719 -2.374
170 HA THR 24 HA THR 24 6.769 6.553 -1.861
171 HB THR 24 HB THR 24 8.954 5.761 -3.837
172 HG1 THR 24 HG1 THR 24 9.900 5.782 -1.946
173 HG21 THR 24 1HG2 THR 24 7.818 8.478 -3.008
174 HG22 THR 24 2HG2 THR 24 9.247 8.224 -4.035
175 HG23 THR 24 3HG2 THR 24 7.655 7.714 -4.605
176 H CYS 25 H CYS 25 4.765 6.393 -2.571
177 HA CYS 25 HA CYS 25 4.079 5.113 -5.186
178 HB2 CYS 25 2HB CYS 25 2.293 3.927 -4.017
179 HB3 CYS 25 3HB CYS 25 3.740 3.683 -3.045
180 H ARG 26 H ARG 26 1.264 5.572 -4.467
181 HA ARG 26 HA ARG 26 0.597 8.190 -5.386
182 HB2 ARG 26 2HB ARG 26 -0.863 6.086 -5.257
183 HB3 ARG 26 3HB ARG 26 -0.999 6.384 -3.524
184 HG2 ARG 26 2HG ARG 26 -1.989 8.672 -4.122
185 HG3 ARG 26 3HG ARG 26 -2.003 8.135 -5.805
186 HD2 ARG 26 2HD ARG 26 -3.490 6.292 -5.270
187 HD3 ARG 26 3HD ARG 26 -3.365 6.603 -3.547
188 HE ARG 26 HE ARG 26 -4.923 8.104 -5.560
189 HH11 ARG 26 1HH1 ARG 26 -4.184 7.841 -2.089
190 HH12 ARG 26 2HH1 ARG 26 -5.499 8.915 -1.719
191 HH21 ARG 26 1HH2 ARG 26 -6.408 9.621 -4.890
192 HH22 ARG 26 2HH2 ARG 26 -6.445 10.085 -3.199
193 H GLN 27 H GLN 27 0.896 6.949 -1.979
194 HA GLN 27 HA GLN 27 1.419 9.686 -1.024
195 HB2 GLN 27 2HB GLN 27 -1.140 8.258 -0.172
196 HB3 GLN 27 3HB GLN 27 -0.472 9.700 0.590
197 HG2 GLN 27 2HG GLN 27 -0.624 10.864 -1.656
198 HG3 GLN 27 3HG GLN 27 -1.653 9.527 -2.162
199 HE21 GLN 27 1HE2 GLN 27 -2.296 12.435 -1.865
200 HE22 GLN 27 2HE2 GLN 27 -3.694 12.428 -0.824
201 H PHE 28 H PHE 28 2.435 6.527 -0.517
202 HA PHE 28 HA PHE 28 2.187 6.061 2.184
203 HB2 PHE 28 2HB PHE 28 3.266 4.525 0.509
204 HB3 PHE 28 3HB PHE 28 4.713 5.492 0.598
205 HD1 PHE 28 HD1 PHE 28 2.347 3.541 2.812
206 HD2 PHE 28 HD2 PHE 28 6.358 5.016 2.282
207 HE1 PHE 28 HE1 PHE 28 3.095 2.228 4.767
208 HE2 PHE 28 HE2 PHE 28 7.111 3.664 4.212
209 HZ PHE 28 HZ PHE 28 5.476 2.279 5.475
210 H ARG 29 H ARG 29 2.987 6.671 4.094
211 HA ARG 29 HA ARG 29 5.442 8.380 4.288
212 HB2 ARG 29 2HB ARG 29 2.851 8.498 5.831
213 HB3 ARG 29 3HB ARG 29 4.365 8.913 6.616
214 HG2 ARG 29 2HG ARG 29 3.366 10.920 5.874
215 HG3 ARG 29 3HG ARG 29 4.831 10.653 4.927
216 HD2 ARG 29 2HD ARG 29 3.538 9.989 2.995
217 HD3 ARG 29 3HD ARG 29 2.045 9.927 3.950
218 HE ARG 29 HE ARG 29 3.306 12.555 3.987
219 HH11 ARG 29 1HH1 ARG 29 1.428 10.552 1.823
220 HH12 ARG 29 2HH1 ARG 29 0.782 11.976 0.988
221 HH21 ARG 29 1HH2 ARG 29 2.313 14.291 2.941
222 HH22 ARG 29 2HH2 ARG 29 1.347 13.945 1.529
223 HA PRO 30 HA PRO 30 6.889 4.786 6.653
224 HB2 PRO 30 2HB PRO 30 9.138 6.733 7.179
225 HB3 PRO 30 3HB PRO 30 9.234 4.989 6.777
226 HG2 PRO 30 2HG PRO 30 9.720 6.804 4.852
227 HG3 PRO 30 3HG PRO 30 8.653 5.418 4.482
228 HD2 PRO 30 2HD PRO 30 7.827 8.227 5.305
229 HD3 PRO 30 3HD PRO 30 7.257 7.247 3.913
230 HA PRO 31 HA PRO 31 8.149 3.845 8.476
231 HB2 PRO 31 2HB PRO 31 7.571 2.433 10.715
232 HB3 PRO 31 3HB PRO 31 8.727 3.797 10.702
233 HG2 PRO 31 2HG PRO 31 5.806 3.851 11.528
234 HG3 PRO 31 3HG PRO 31 7.219 4.503 12.416
235 HD2 PRO 31 2HD PRO 31 5.634 6.068 10.816
236 HD3 PRO 31 3HD PRO 31 7.391 6.348 10.972
237 H SER 32 H SER 32 4.685 4.050 9.278
238 HA SER 32 HA SER 32 4.124 1.482 7.863
239 HB2 SER 32 2HB SER 32 2.763 0.797 9.877
240 HB3 SER 32 3HB SER 32 4.502 0.861 10.130
241 HG SER 32 HG SER 32 2.585 2.776 10.986
242 H SER 33 H SER 33 3.388 4.354 7.146
243 HA SER 33 HA SER 33 0.422 4.225 7.553
244 HB2 SER 33 2HB SER 33 2.242 6.638 7.437
245 HB3 SER 33 3HB SER 33 0.490 6.641 7.704
246 HG SER 33 HG SER 33 1.820 6.759 9.607
247 H CYS 34 H CYS 34 -0.434 3.525 5.674
248 HA CYS 34 HA CYS 34 0.038 5.076 3.188
249 HB2 CYS 34 2HB CYS 34 -0.654 2.722 2.906
250 HB3 CYS 34 3HB CYS 34 -2.159 3.054 3.828
251 H ILE 35 H ILE 35 -1.224 6.749 2.570
252 HA ILE 35 HA ILE 35 -3.208 7.867 4.511
253 HB ILE 35 HB ILE 35 -1.882 9.342 2.244
254 HG12 ILE 35 2HG1 ILE 35 -0.059 8.699 3.686
255 HG13 ILE 35 3HG1 ILE 35 -0.385 10.408 3.867
256 HG21 ILE 35 1HG2 ILE 35 -3.446 10.294 4.675
257 HG22 ILE 35 2HG2 ILE 35 -2.519 11.364 3.599
258 HG23 ILE 35 3HG2 ILE 35 -3.889 10.464 2.967
259 HD11 ILE 35 1HD1 ILE 35 0.131 9.333 6.011
260 HD12 ILE 35 2HD1 ILE 35 -1.510 10.003 6.031
261 HD13 ILE 35 3HD1 ILE 35 -1.257 8.251 5.848
262 H THR 36 H THR 36 -2.988 6.157 1.584
263 HA THR 36 HA THR 36 -5.637 6.964 0.527
264 HB THR 36 HB THR 36 -3.868 4.640 -0.301
265 HG1 THR 36 HG1 THR 36 -2.647 5.828 -1.294
266 HG21 THR 36 1HG2 THR 36 -6.026 6.202 -1.770
267 HG22 THR 36 2HG2 THR 36 -4.966 4.969 -2.505
268 HG23 THR 36 3HG2 THR 36 -6.104 4.520 -1.225
269 H VAL 37 H VAL 37 -4.024 4.220 2.134
270 HA VAL 37 HA VAL 37 -6.592 2.746 2.341
271 HB VAL 37 HB VAL 37 -3.755 1.655 2.341
272 HG11 VAL 37 1HG1 VAL 37 -6.455 0.266 2.044
273 HG12 VAL 37 2HG1 VAL 37 -4.867 -0.504 1.817
274 HG13 VAL 37 3HG1 VAL 37 -5.308 0.107 3.403
275 HG21 VAL 37 1HG2 VAL 37 -4.098 2.553 0.153
276 HG22 VAL 37 2HG2 VAL 37 -4.413 0.838 0.015
277 HG23 VAL 37 3HG2 VAL 37 -5.782 1.979 0.092
278 H GLU 38 H GLU 38 -7.155 1.636 4.198
279 HA GLU 38 HA GLU 38 -6.623 2.815 6.689
280 HB2 GLU 38 2HB GLU 38 -7.762 0.137 5.889
281 HB3 GLU 38 3HB GLU 38 -7.602 0.552 7.576
282 HG2 GLU 38 2HG GLU 38 -9.171 2.183 5.537
283 HG3 GLU 38 3HG GLU 38 -9.839 1.027 6.684
284 H SER 39 H SER 39 -5.707 2.179 8.541
285 HA SER 39 HA SER 39 -2.985 1.043 8.101
286 HB2 SER 39 2HB SER 39 -2.110 3.041 9.213
287 HB3 SER 39 3HB SER 39 -3.140 3.486 7.852
288 HG SER 39 HG SER 39 -3.589 4.739 9.672
289 HA PRO 40 HA PRO 40 -0.921 1.447 9.717
290 HB2 PRO 40 2HB PRO 40 0.645 -0.424 10.883
291 HB3 PRO 40 3HB PRO 40 0.038 1.017 11.750
292 HG2 PRO 40 2HG PRO 40 -1.122 -1.785 11.768
293 HG3 PRO 40 3HG PRO 40 -0.751 -0.735 13.169
294 HD2 PRO 40 2HD PRO 40 -3.260 -0.897 12.127
295 HD3 PRO 40 3HD PRO 40 -2.615 0.645 12.760
296 H ILE 41 H ILE 41 0.603 0.410 8.302
297 HA ILE 41 HA ILE 41 -0.221 -2.141 7.027
298 HB ILE 41 HB ILE 41 -1.185 -0.037 5.897
299 HG12 ILE 41 2HG1 ILE 41 0.469 -1.914 4.174
300 HG13 ILE 41 3HG1 ILE 41 -1.128 -2.254 4.857
301 HG21 ILE 41 1HG2 ILE 41 1.640 0.269 4.806
302 HG22 ILE 41 2HG2 ILE 41 0.226 1.268 4.440
303 HG23 ILE 41 3HG2 ILE 41 0.931 1.320 6.053
304 HD11 ILE 41 1HD1 ILE 41 -2.056 -0.287 3.594
305 HD12 ILE 41 2HD1 ILE 41 -0.478 -0.127 2.779
306 HD13 ILE 41 3HD1 ILE 41 -1.439 -1.590 2.566
307 H SER 42 H SER 42 1.506 -3.286 6.036
308 HA SER 42 HA SER 42 4.278 -2.294 6.628
309 HB2 SER 42 2HB SER 42 3.312 -5.107 6.061
310 HB3 SER 42 3HB SER 42 5.001 -4.615 6.247
311 HG SER 42 HG SER 42 3.961 -3.615 8.352
312 H GLU 43 H GLU 43 5.788 -2.053 4.974
313 HA GLU 43 HA GLU 43 4.306 -0.820 2.855
314 HB2 GLU 43 2HB GLU 43 6.380 0.289 2.290
315 HB3 GLU 43 3HB GLU 43 6.137 0.283 4.037
316 HG2 GLU 43 2HG GLU 43 7.705 -1.584 4.299
317 HG3 GLU 43 3HG GLU 43 7.941 -1.633 2.562
318 H ASN 44 H ASN 44 5.483 -3.930 2.848
319 HA ASN 44 HA ASN 44 6.077 -4.181 0.021
320 HB2 ASN 44 2HB ASN 44 6.059 -6.561 0.462
321 HB3 ASN 44 3HB ASN 44 6.829 -5.781 1.832
322 HD21 ASN 44 1HD2 ASN 44 5.930 -5.888 3.821
323 HD22 ASN 44 2HD2 ASN 44 4.676 -7.097 4.094
324 H GLY 45 H GLY 45 3.102 -3.725 1.744
325 HA2 GLY 45 2HA GLY 45 1.180 -5.267 0.680
326 HA3 GLY 45 3HA GLY 45 0.934 -3.560 1.028
327 H TRP 46 H TRP 46 1.620 -2.040 -0.802
328 HA TRP 46 HA TRP 46 1.152 -1.155 -2.793
329 HB2 TRP 46 2HB TRP 46 2.638 -2.925 -3.787
330 HB3 TRP 46 3HB TRP 46 1.222 -3.917 -4.033
331 HD1 TRP 46 HD1 TRP 46 2.744 -0.613 -5.264
332 HE1 TRP 46 HE1 TRP 46 1.738 -0.011 -7.533
333 HE3 TRP 46 HE3 TRP 46 -0.761 -4.317 -5.600
334 HZ2 TRP 46 HZ2 TRP 46 -0.345 -1.007 -9.288
335 HZ3 TRP 46 HZ3 TRP 46 -2.204 -4.513 -7.610
336 HH2 TRP 46 HH2 TRP 46 -2.008 -2.856 -9.458
337 H CYS 47 H CYS 47 -0.631 -0.441 -3.920
338 HA CYS 47 HA CYS 47 -3.169 -1.986 -3.647
339 HB2 CYS 47 2HB CYS 47 -4.319 0.132 -3.275
340 HB3 CYS 47 3HB CYS 47 -3.025 -0.043 -2.087
341 H ARG 48 H ARG 48 -4.724 -1.675 -5.281
342 HA ARG 48 HA ARG 48 -3.658 -1.256 -7.991
343 HB2 ARG 48 2HB ARG 48 -6.425 -1.881 -6.868
344 HB3 ARG 48 3HB ARG 48 -6.139 -1.614 -8.596
345 HG2 ARG 48 2HG ARG 48 -4.546 -3.429 -8.710
346 HG3 ARG 48 3HG ARG 48 -4.636 -3.706 -6.961
347 HD2 ARG 48 2HD ARG 48 -6.902 -4.497 -7.103
348 HD3 ARG 48 3HD ARG 48 -7.082 -3.881 -8.746
349 HE ARG 48 HE ARG 48 -6.196 -5.783 -9.579
350 HH11 ARG 48 1HH1 ARG 48 -5.046 -5.777 -6.167
351 HH12 ARG 48 2HH1 ARG 48 -4.482 -7.412 -6.381
352 HH21 ARG 48 1HH2 ARG 48 -5.267 -7.796 -9.632
353 HH22 ARG 48 2HH2 ARG 48 -4.433 -8.384 -8.202
354 H LEU 49 H LEU 49 -4.410 0.931 -5.696
355 HA LEU 49 HA LEU 49 -5.551 3.006 -7.454
356 HB2 LEU 49 2HB LEU 49 -4.754 3.066 -4.520
357 HB3 LEU 49 3HB LEU 49 -5.588 4.353 -5.383
358 HG LEU 49 HG LEU 49 -6.727 1.551 -4.921
359 HD11 LEU 49 1HD1 LEU 49 -7.380 4.185 -3.558
360 HD12 LEU 49 2HD1 LEU 49 -8.229 2.646 -3.320
361 HD13 LEU 49 3HD1 LEU 49 -6.534 2.794 -2.832
362 HD21 LEU 49 1HD2 LEU 49 -7.692 2.579 -6.934
363 HD22 LEU 49 2HD2 LEU 49 -8.874 2.582 -5.624
364 HD23 LEU 49 3HD2 LEU 49 -8.016 4.080 -6.037
365 H TYR 50 H TYR 50 -2.455 1.783 -6.904
366 HA TYR 50 HA TYR 50 -0.691 3.837 -6.768
367 HB2 TYR 50 2HB TYR 50 -0.438 1.275 -7.191
368 HB3 TYR 50 3HB TYR 50 -0.365 1.696 -8.886
369 HD1 TYR 50 HD1 TYR 50 1.202 2.110 -5.543
370 HD2 TYR 50 HD2 TYR 50 1.745 2.537 -9.801
371 HE1 TYR 50 HE1 TYR 50 3.662 2.338 -5.223
372 HE2 TYR 50 HE2 TYR 50 4.205 2.768 -9.463
373 HH TYR 50 HH TYR 50 5.915 2.902 -7.918
374 H ALA 51 H ALA 51 0.517 5.157 -8.232
375 HA ALA 51 HA ALA 51 -1.202 6.265 -10.406
376 HB1 ALA 51 1HB ALA 51 -1.388 7.436 -8.261
377 HB2 ALA 51 2HB ALA 51 0.375 7.649 -8.202
378 HB3 ALA 51 3HB ALA 51 -0.592 8.463 -9.459
379 H GLY 52 H GLY 52 -0.067 7.927 -11.747
380 HA2 GLY 52 2HA GLY 52 2.141 6.806 -13.151
381 HA3 GLY 52 3HA GLY 52 1.355 8.354 -13.438
382 H LYS 53 H LYS 53 2.324 8.608 -10.365
383 HA LYS 53 HA LYS 53 4.232 10.571 -10.562
384 HB2 LYS 53 2HB LYS 53 3.552 8.573 -8.392
385 HB3 LYS 53 3HB LYS 53 5.005 9.543 -8.227
386 HG2 LYS 53 2HG LYS 53 3.238 10.588 -7.024
387 HG3 LYS 53 3HG LYS 53 3.764 11.623 -8.355
388 HD2 LYS 53 2HD LYS 53 1.754 11.138 -9.625
389 HD3 LYS 53 3HD LYS 53 1.325 9.817 -8.529
390 HE2 LYS 53 2HE LYS 53 -0.079 11.703 -8.026
391 HE3 LYS 53 3HE LYS 53 1.004 11.411 -6.670
392 HZ1 LYS 53 1HZ LYS 53 1.453 13.503 -8.742
393 HZ2 LYS 53 2HZ LYS 53 0.804 13.774 -7.275
394 HZ3 LYS 53 3HZ LYS 53 2.354 13.272 -7.389
395 H ALA 54 H ALA 54 6.083 10.720 -11.060
396 HA ALA 54 HA ALA 54 8.268 8.827 -10.546
397 HB1 ALA 54 1HB ALA 54 9.101 8.799 -12.854
398 HB2 ALA 54 2HB ALA 54 7.479 8.110 -12.793
399 HB3 ALA 54 3HB ALA 54 7.717 9.764 -13.398
Start of MODEL 15
1 H1 VAL 1 1H VAL 1 -8.782 11.406 8.728
2 H2 VAL 1 2H VAL 1 -9.400 11.731 7.243
3 H3 VAL 1 3H VAL 1 -9.577 10.235 7.915
4 HA VAL 1 HA VAL 1 -10.883 11.151 9.706
5 HB VAL 1 HB VAL 1 -11.166 13.696 8.098
6 HG11 VAL 1 1HG1 VAL 1 -11.826 12.812 10.949
7 HG12 VAL 1 2HG1 VAL 1 -12.013 14.457 10.331
8 HG13 VAL 1 3HG1 VAL 1 -12.990 13.153 9.644
9 HG21 VAL 1 1HG2 VAL 1 -8.812 13.686 8.816
10 HG22 VAL 1 2HG2 VAL 1 -9.752 14.811 9.788
11 HG23 VAL 1 3HG2 VAL 1 -9.307 13.235 10.468
12 H THR 2 H THR 2 -11.626 12.327 6.337
13 HA THR 2 HA THR 2 -14.198 10.925 6.417
14 HB THR 2 HB THR 2 -13.957 12.983 5.102
15 HG1 THR 2 HG1 THR 2 -15.558 12.099 4.254
16 HG21 THR 2 1HG2 THR 2 -13.038 12.805 2.782
17 HG22 THR 2 2HG2 THR 2 -11.792 12.808 4.030
18 HG23 THR 2 3HG2 THR 2 -12.243 11.288 3.232
19 H LYS 3 H LYS 3 -14.784 9.148 5.063
20 HA LYS 3 HA LYS 3 -13.079 7.109 5.943
21 HB2 LYS 3 2HB LYS 3 -15.575 7.127 5.798
22 HB3 LYS 3 3HB LYS 3 -15.409 6.704 4.076
23 HG2 LYS 3 2HG LYS 3 -14.216 4.629 4.716
24 HG3 LYS 3 3HG LYS 3 -14.317 5.098 6.429
25 HD2 LYS 3 2HD LYS 3 -16.819 5.075 6.252
26 HD3 LYS 3 3HD LYS 3 -16.665 4.516 4.570
27 HE2 LYS 3 2HE LYS 3 -15.378 2.527 5.400
28 HE3 LYS 3 3HE LYS 3 -15.634 3.082 7.062
29 HZ1 LYS 3 1HZ LYS 3 -17.778 2.335 5.156
30 HZ2 LYS 3 2HZ LYS 3 -17.253 1.444 6.456
31 HZ3 LYS 3 3HZ LYS 3 -18.026 2.872 6.698
32 H LYS 4 H LYS 4 -11.436 6.301 5.215
33 HA LYS 4 HA LYS 4 -10.291 6.443 2.578
34 HB2 LYS 4 2HB LYS 4 -9.530 4.847 5.056
35 HB3 LYS 4 3HB LYS 4 -8.502 5.085 3.634
36 HG2 LYS 4 2HG LYS 4 -8.675 7.561 3.968
37 HG3 LYS 4 3HG LYS 4 -9.610 7.307 5.415
38 HD2 LYS 4 2HD LYS 4 -7.420 7.731 6.168
39 HD3 LYS 4 3HD LYS 4 -7.729 6.009 6.413
40 HE2 LYS 4 2HE LYS 4 -6.540 5.561 4.228
41 HE3 LYS 4 3HE LYS 4 -6.139 7.284 4.136
42 HZ1 LYS 4 1HZ LYS 4 -4.853 7.095 6.140
43 HZ2 LYS 4 2HZ LYS 4 -5.354 5.548 6.410
44 HZ3 LYS 4 3HZ LYS 4 -4.363 5.889 5.143
45 H ALA 5 H ALA 5 -9.235 4.323 1.668
46 HA ALA 5 HA ALA 5 -11.421 2.456 0.965
47 HB1 ALA 5 1HB ALA 5 -8.515 2.534 0.080
48 HB2 ALA 5 2HB ALA 5 -9.795 1.487 -0.577
49 HB3 ALA 5 3HB ALA 5 -9.893 3.248 -0.789
50 H SER 6 H SER 6 -11.592 0.300 1.626
51 HA SER 6 HA SER 6 -10.012 -0.645 3.898
52 HB2 SER 6 2HB SER 6 -11.341 -2.648 3.730
53 HB3 SER 6 3HB SER 6 -12.413 -1.250 3.530
54 HG SER 6 HG SER 6 -12.901 -2.731 1.946
55 H HIS 7 H HIS 7 -8.798 -2.779 3.763
56 HA HIS 7 HA HIS 7 -6.849 -2.766 1.616
57 HB2 HIS 7 2HB HIS 7 -7.537 -4.865 3.711
58 HB3 HIS 7 3HB HIS 7 -6.206 -5.001 2.581
59 HD2 HIS 7 HD2 HIS 7 -6.793 -1.538 4.223
60 HE1 HIS 7 HE1 HIS 7 -3.307 -3.186 5.997
61 HE2 HIS 7 HE2 HIS 7 -4.709 -1.078 5.700
62 H LYS 8 H LYS 8 -9.933 -4.356 2.038
63 HA LYS 8 HA LYS 8 -9.839 -6.198 -0.169
64 HB2 LYS 8 2HB LYS 8 -12.236 -4.747 1.012
65 HB3 LYS 8 3HB LYS 8 -12.302 -6.174 0.016
66 HG2 LYS 8 2HG LYS 8 -10.991 -6.083 2.774
67 HG3 LYS 8 3HG LYS 8 -12.686 -6.453 2.485
68 HD2 LYS 8 2HD LYS 8 -12.094 -8.423 1.152
69 HD3 LYS 8 3HD LYS 8 -10.377 -8.032 1.291
70 HE2 LYS 8 2HE LYS 8 -11.018 -9.867 2.778
71 HE3 LYS 8 3HE LYS 8 -10.367 -8.487 3.662
72 HZ1 LYS 8 1HZ LYS 8 -13.283 -8.858 3.349
73 HZ2 LYS 8 2HZ LYS 8 -12.483 -9.574 4.581
74 HZ3 LYS 8 3HZ LYS 8 -12.490 -7.940 4.456
75 H ASP 9 H ASP 9 -11.353 -2.974 0.086
76 HA ASP 9 HA ASP 9 -12.063 -2.666 -2.638
77 HB2 ASP 9 2HB ASP 9 -12.745 -1.320 -0.524
78 HB3 ASP 9 3HB ASP 9 -11.325 -0.357 -0.846
79 H ALA 10 H ALA 10 -9.127 -1.605 -0.941
80 HA ALA 10 HA ALA 10 -7.839 -0.417 -3.206
81 HB1 ALA 10 1HB ALA 10 -5.884 -0.355 -1.711
82 HB2 ALA 10 2HB ALA 10 -7.347 0.101 -0.822
83 HB3 ALA 10 3HB ALA 10 -6.657 -1.525 -0.622
84 H GLY 11 H GLY 11 -8.392 -3.734 -2.683
85 HA2 GLY 11 2HA GLY 11 -7.607 -5.633 -3.710
86 HA3 GLY 11 3HA GLY 11 -6.813 -4.598 -4.905
87 H TYR 12 H TYR 12 -6.174 -4.621 -1.408
88 HA TYR 12 HA TYR 12 -3.350 -4.539 -1.872
89 HB2 TYR 12 2HB TYR 12 -4.841 -3.506 0.023
90 HB3 TYR 12 3HB TYR 12 -4.614 -5.057 0.825
91 HD1 TYR 12 HD1 TYR 12 -2.713 -2.341 -0.942
92 HD2 TYR 12 HD2 TYR 12 -2.676 -5.265 2.232
93 HE1 TYR 12 HE1 TYR 12 -0.545 -1.456 -0.161
94 HE2 TYR 12 HE2 TYR 12 -0.467 -4.377 3.003
95 HH TYR 12 HH TYR 12 1.124 -1.617 1.346
96 H GLN 13 H GLN 13 -1.752 -5.951 -0.683
97 HA GLN 13 HA GLN 13 -2.463 -8.827 -0.791
98 HB2 GLN 13 2HB GLN 13 -0.608 -9.173 -2.498
99 HB3 GLN 13 3HB GLN 13 -2.135 -8.526 -3.021
100 HG2 GLN 13 2HG GLN 13 -1.044 -6.171 -2.967
101 HG3 GLN 13 3HG GLN 13 0.482 -7.031 -2.714
102 HE21 GLN 13 1HE2 GLN 13 1.332 -6.195 -4.583
103 HE22 GLN 13 2HE2 GLN 13 0.932 -7.080 -6.067
104 H GLU 14 H GLU 14 -0.631 -10.264 -0.528
105 HA GLU 14 HA GLU 14 0.786 -9.587 1.951
106 HB2 GLU 14 2HB GLU 14 1.157 -11.953 2.120
107 HB3 GLU 14 3HB GLU 14 -0.542 -11.591 1.838
108 HG2 GLU 14 2HG GLU 14 1.194 -12.249 -0.530
109 HG3 GLU 14 3HG GLU 14 0.733 -13.547 0.567
110 H SER 15 H SER 15 1.630 -9.538 -1.333
111 HA SER 15 HA SER 15 4.447 -9.054 -0.712
112 HB2 SER 15 2HB SER 15 5.079 -10.713 -2.645
113 HB3 SER 15 3HB SER 15 4.879 -11.278 -0.994
114 HG SER 15 HG SER 15 2.994 -11.472 -3.135
115 HA PRO 16 HA PRO 16 3.902 -6.015 -3.547
116 HB2 PRO 16 2HB PRO 16 6.329 -5.432 -4.629
117 HB3 PRO 16 3HB PRO 16 5.986 -5.319 -2.873
118 HG2 PRO 16 2HG PRO 16 7.281 -7.613 -4.377
119 HG3 PRO 16 3HG PRO 16 7.856 -6.810 -2.882
120 HD2 PRO 16 2HD PRO 16 6.422 -9.131 -2.845
121 HD3 PRO 16 3HD PRO 16 6.218 -7.914 -1.568
122 H ASN 17 H ASN 17 3.941 -5.083 -5.744
123 HA ASN 17 HA ASN 17 3.339 -7.143 -7.794
124 HB2 ASN 17 2HB ASN 17 1.632 -5.477 -7.341
125 HB3 ASN 17 3HB ASN 17 2.757 -4.167 -7.614
126 HD21 ASN 17 1HD2 ASN 17 0.467 -4.034 -9.007
127 HD22 ASN 17 2HD2 ASN 17 0.694 -4.536 -10.669
128 H GLY 18 H GLY 18 5.728 -7.615 -7.595
129 HA2 GLY 18 2HA GLY 18 7.826 -7.646 -8.518
130 HA3 GLY 18 3HA GLY 18 7.121 -6.839 -9.925
131 H ALA 19 H ALA 19 7.891 -4.868 -10.375
132 HA ALA 19 HA ALA 19 9.749 -3.499 -8.609
133 HB1 ALA 19 1HB ALA 19 9.942 -1.931 -10.491
134 HB2 ALA 19 2HB ALA 19 10.047 -3.607 -11.059
135 HB3 ALA 19 3HB ALA 19 8.542 -2.682 -11.285
136 H LYS 20 H LYS 20 6.331 -3.447 -8.677
137 HA LYS 20 HA LYS 20 6.215 -0.649 -7.639
138 HB2 LYS 20 2HB LYS 20 3.865 -2.333 -8.555
139 HB3 LYS 20 3HB LYS 20 3.912 -0.625 -8.133
140 HG2 LYS 20 2HG LYS 20 3.984 -0.319 -10.350
141 HG3 LYS 20 3HG LYS 20 5.719 -0.544 -10.132
142 HD2 LYS 20 2HD LYS 20 5.431 -2.970 -10.759
143 HD3 LYS 20 3HD LYS 20 3.690 -2.680 -10.958
144 HE2 LYS 20 2HE LYS 20 4.336 -0.867 -12.658
145 HE3 LYS 20 3HE LYS 20 5.989 -1.485 -12.569
146 HZ1 LYS 20 1HZ LYS 20 5.023 -3.702 -13.251
147 HZ2 LYS 20 2HZ LYS 20 3.572 -2.971 -13.427
148 HZ3 LYS 20 3HZ LYS 20 4.818 -2.521 -14.393
149 H ARG 21 H ARG 21 5.905 -0.278 -5.604
150 HA ARG 21 HA ARG 21 4.926 -2.274 -3.633
151 HB2 ARG 21 2HB ARG 21 7.095 -3.061 -3.831
152 HB3 ARG 21 3HB ARG 21 7.801 -1.483 -4.130
153 HG2 ARG 21 2HG ARG 21 7.969 -0.917 -1.922
154 HG3 ARG 21 3HG ARG 21 6.674 -1.983 -1.380
155 HD2 ARG 21 2HD ARG 21 8.076 -3.970 -1.836
156 HD3 ARG 21 3HD ARG 21 9.381 -2.914 -2.412
157 HE ARG 21 HE ARG 21 8.519 -2.158 0.240
158 HH11 ARG 21 1HH1 ARG 21 10.385 -4.764 -1.232
159 HH12 ARG 21 2HH1 ARG 21 11.426 -4.889 0.167
160 HH21 ARG 21 1HH2 ARG 21 10.040 -2.242 1.814
161 HH22 ARG 21 2HH2 ARG 21 11.130 -3.588 1.901
162 H CYS 22 H CYS 22 4.425 -1.398 -1.613
163 HA CYS 22 HA CYS 22 3.534 1.295 -1.443
164 HB2 CYS 22 2HB CYS 22 4.061 -0.874 0.617
165 HB3 CYS 22 3HB CYS 22 3.479 0.721 1.060
166 H GLY 23 H GLY 23 6.548 -0.097 0.046
167 HA2 GLY 23 2HA GLY 23 7.477 2.170 1.294
168 HA3 GLY 23 3HA GLY 23 8.511 0.907 0.636
169 H THR 24 H THR 24 7.604 1.699 -2.212
170 HA THR 24 HA THR 24 8.929 4.364 -2.453
171 HB THR 24 HB THR 24 9.682 3.720 -4.719
172 HG1 THR 24 HG1 THR 24 8.976 1.966 -5.498
173 HG21 THR 24 1HG2 THR 24 11.193 3.601 -2.744
174 HG22 THR 24 2HG2 THR 24 10.769 1.885 -2.570
175 HG23 THR 24 3HG2 THR 24 11.600 2.455 -4.032
176 H CYS 25 H CYS 25 6.030 3.591 -2.133
177 HA CYS 25 HA CYS 25 4.806 4.632 -4.612
178 HB2 CYS 25 2HB CYS 25 3.718 2.822 -3.277
179 HB3 CYS 25 3HB CYS 25 3.609 3.923 -1.896
180 H ARG 26 H ARG 26 3.620 6.575 -4.699
181 HA ARG 26 HA ARG 26 4.845 8.767 -3.130
182 HB2 ARG 26 2HB ARG 26 3.077 8.885 -5.595
183 HB3 ARG 26 3HB ARG 26 3.917 10.247 -4.832
184 HG2 ARG 26 2HG ARG 26 6.097 9.188 -5.206
185 HG3 ARG 26 3HG ARG 26 5.331 7.760 -5.906
186 HD2 ARG 26 2HD ARG 26 4.480 9.108 -7.786
187 HD3 ARG 26 3HD ARG 26 5.321 10.527 -7.124
188 HE ARG 26 HE ARG 26 6.947 8.078 -7.473
189 HH11 ARG 26 1HH1 ARG 26 6.009 10.976 -9.300
190 HH12 ARG 26 2HH1 ARG 26 7.569 10.945 -10.108
191 HH21 ARG 26 1HH2 ARG 26 8.932 8.384 -8.450
192 HH22 ARG 26 2HH2 ARG 26 9.014 9.567 -9.754
193 H GLN 27 H GLN 27 2.473 6.853 -2.344
194 HA GLN 27 HA GLN 27 0.900 8.968 -0.920
195 HB2 GLN 27 2HB GLN 27 0.179 6.179 -1.871
196 HB3 GLN 27 3HB GLN 27 -0.848 7.104 -0.795
197 HG2 GLN 27 2HG GLN 27 -0.452 8.995 -2.729
198 HG3 GLN 27 3HG GLN 27 -0.211 7.553 -3.704
199 HE21 GLN 27 1HE2 GLN 27 -2.188 5.986 -3.825
200 HE22 GLN 27 2HE2 GLN 27 -3.745 6.793 -3.664
201 H PHE 28 H PHE 28 3.291 6.618 -0.373
202 HA PHE 28 HA PHE 28 2.427 5.588 2.159
203 HB2 PHE 28 2HB PHE 28 3.894 4.476 0.490
204 HB3 PHE 28 3HB PHE 28 5.170 5.623 0.851
205 HD1 PHE 28 HD1 PHE 28 2.922 3.091 2.505
206 HD2 PHE 28 HD2 PHE 28 6.774 5.031 2.500
207 HE1 PHE 28 HE1 PHE 28 3.697 1.575 4.313
208 HE2 PHE 28 HE2 PHE 28 7.536 3.503 4.302
209 HZ PHE 28 HZ PHE 28 5.998 1.771 5.210
210 H ARG 29 H ARG 29 3.458 5.795 4.193
211 HA ARG 29 HA ARG 29 5.339 8.019 4.752
212 HB2 ARG 29 2HB ARG 29 3.339 9.173 5.167
213 HB3 ARG 29 3HB ARG 29 2.550 7.782 5.872
214 HG2 ARG 29 2HG ARG 29 3.003 9.464 7.539
215 HG3 ARG 29 3HG ARG 29 3.891 8.000 7.932
216 HD2 ARG 29 2HD ARG 29 5.994 8.986 7.308
217 HD3 ARG 29 3HD ARG 29 5.189 10.288 6.432
218 HE ARG 29 HE ARG 29 4.464 11.286 8.489
219 HH11 ARG 29 1HH1 ARG 29 6.743 8.697 9.282
220 HH12 ARG 29 2HH1 ARG 29 7.413 9.672 10.591
221 HH21 ARG 29 1HH2 ARG 29 5.351 12.297 10.264
222 HH22 ARG 29 2HH2 ARG 29 6.650 11.484 11.134
223 HA PRO 30 HA PRO 30 6.828 4.376 7.034
224 HB2 PRO 30 2HB PRO 30 8.915 6.403 7.830
225 HB3 PRO 30 3HB PRO 30 9.130 4.699 7.323
226 HG2 PRO 30 2HG PRO 30 9.649 6.735 5.600
227 HG3 PRO 30 3HG PRO 30 8.814 5.258 5.032
228 HD2 PRO 30 2HD PRO 30 7.610 7.929 5.787
229 HD3 PRO 30 3HD PRO 30 7.234 6.869 4.392
230 HA PRO 31 HA PRO 31 7.735 3.289 8.919
231 HB2 PRO 31 2HB PRO 31 6.722 1.805 10.965
232 HB3 PRO 31 3HB PRO 31 8.017 3.015 11.187
233 HG2 PRO 31 2HG PRO 31 5.039 3.365 11.674
234 HG3 PRO 31 3HG PRO 31 6.395 3.800 12.762
235 HD2 PRO 31 2HD PRO 31 5.219 5.646 11.119
236 HD3 PRO 31 3HD PRO 31 6.970 5.676 11.450
237 H SER 32 H SER 32 4.189 3.662 9.510
238 HA SER 32 HA SER 32 3.623 1.484 7.573
239 HB2 SER 32 2HB SER 32 2.324 0.233 9.243
240 HB3 SER 32 3HB SER 32 4.028 0.344 9.677
241 HG SER 32 HG SER 32 1.995 2.051 10.705
242 H SER 33 H SER 33 3.006 4.144 7.066
243 HA SER 33 HA SER 33 0.013 4.155 7.272
244 HB2 SER 33 2HB SER 33 1.973 6.455 7.498
245 HB3 SER 33 3HB SER 33 0.235 6.672 7.231
246 HG SER 33 HG SER 33 1.518 5.386 9.434
247 H CYS 34 H CYS 34 -1.170 5.063 5.562
248 HA CYS 34 HA CYS 34 0.184 5.826 3.044
249 HB2 CYS 34 2HB CYS 34 -0.092 3.495 2.574
250 HB3 CYS 34 3HB CYS 34 -1.724 3.471 3.289
251 H ILE 35 H ILE 35 -0.949 7.319 1.895
252 HA ILE 35 HA ILE 35 -3.110 8.576 3.388
253 HB ILE 35 HB ILE 35 -0.992 9.667 2.378
254 HG12 ILE 35 2HG1 ILE 35 -2.052 11.861 2.106
255 HG13 ILE 35 3HG1 ILE 35 -3.652 11.122 2.157
256 HG21 ILE 35 1HG2 ILE 35 -2.789 10.177 -0.009
257 HG22 ILE 35 2HG2 ILE 35 -1.077 10.575 0.217
258 HG23 ILE 35 3HG2 ILE 35 -1.571 8.895 0.021
259 HD11 ILE 35 1HD1 ILE 35 -1.572 10.978 4.379
260 HD12 ILE 35 2HD1 ILE 35 -2.928 12.123 4.332
261 HD13 ILE 35 3HD1 ILE 35 -3.241 10.391 4.484
262 H THR 36 H THR 36 -3.437 6.133 1.300
263 HA THR 36 HA THR 36 -6.145 7.153 0.483
264 HB THR 36 HB THR 36 -4.560 6.925 -1.415
265 HG1 THR 36 HG1 THR 36 -6.125 6.433 -2.651
266 HG21 THR 36 1HG2 THR 36 -3.437 4.803 -0.904
267 HG22 THR 36 2HG2 THR 36 -4.978 3.932 -1.042
268 HG23 THR 36 3HG2 THR 36 -4.275 4.722 -2.457
269 H VAL 37 H VAL 37 -4.363 4.235 1.562
270 HA VAL 37 HA VAL 37 -6.964 2.852 1.968
271 HB VAL 37 HB VAL 37 -5.280 1.791 0.529
272 HG11 VAL 37 1HG1 VAL 37 -3.315 0.691 1.524
273 HG12 VAL 37 2HG1 VAL 37 -3.208 2.440 1.635
274 HG13 VAL 37 3HG1 VAL 37 -3.637 1.495 3.077
275 HG21 VAL 37 1HG2 VAL 37 -6.958 0.400 1.700
276 HG22 VAL 37 2HG2 VAL 37 -5.433 -0.447 1.408
277 HG23 VAL 37 3HG2 VAL 37 -5.792 0.156 3.029
278 H GLU 38 H GLU 38 -7.433 1.704 3.880
279 HA GLU 38 HA GLU 38 -6.860 2.998 6.336
280 HB2 GLU 38 2HB GLU 38 -8.061 0.321 5.595
281 HB3 GLU 38 3HB GLU 38 -7.793 0.724 7.283
282 HG2 GLU 38 2HG GLU 38 -9.433 2.435 5.375
283 HG3 GLU 38 3HG GLU 38 -10.087 1.213 6.459
284 H SER 39 H SER 39 -5.903 2.102 8.287
285 HA SER 39 HA SER 39 -3.294 0.822 7.672
286 HB2 SER 39 2HB SER 39 -2.179 2.671 8.779
287 HB3 SER 39 3HB SER 39 -3.228 3.259 7.494
288 HG SER 39 HG SER 39 -3.235 4.303 9.672
289 HA PRO 40 HA PRO 40 -1.124 1.144 9.583
290 HB2 PRO 40 2HB PRO 40 -0.510 -1.633 10.529
291 HB3 PRO 40 3HB PRO 40 0.409 -0.117 10.765
292 HG2 PRO 40 2HG PRO 40 -1.106 -1.085 12.777
293 HG3 PRO 40 3HG PRO 40 -1.157 0.672 12.393
294 HD2 PRO 40 2HD PRO 40 -3.101 -1.490 11.524
295 HD3 PRO 40 3HD PRO 40 -3.449 0.101 12.260
296 H ILE 41 H ILE 41 0.249 0.572 7.865
297 HA ILE 41 HA ILE 41 -0.738 -1.521 5.990
298 HB ILE 41 HB ILE 41 -1.342 0.987 5.536
299 HG12 ILE 41 2HG1 ILE 41 -1.148 0.812 3.130
300 HG13 ILE 41 3HG1 ILE 41 -0.022 -0.520 3.274
301 HG21 ILE 41 1HG2 ILE 41 1.487 0.999 4.404
302 HG22 ILE 41 2HG2 ILE 41 0.306 2.306 4.385
303 HG23 ILE 41 3HG2 ILE 41 1.016 1.794 5.915
304 HD11 ILE 41 1HD1 ILE 41 -2.896 -0.575 4.281
305 HD12 ILE 41 2HD1 ILE 41 -2.384 -1.197 2.707
306 HD13 ILE 41 3HD1 ILE 41 -1.791 -1.970 4.180
307 H SER 42 H SER 42 0.938 -2.195 4.334
308 HA SER 42 HA SER 42 3.371 -2.874 5.821
309 HB2 SER 42 2HB SER 42 2.060 -4.523 4.460
310 HB3 SER 42 3HB SER 42 2.597 -3.668 3.002
311 HG SER 42 HG SER 42 4.090 -5.124 4.903
312 H GLU 43 H GLU 43 5.524 -2.582 5.055
313 HA GLU 43 HA GLU 43 6.175 -0.279 3.386
314 HB2 GLU 43 2HB GLU 43 8.449 -1.007 3.706
315 HB3 GLU 43 3HB GLU 43 7.612 -1.132 5.248
316 HG2 GLU 43 2HG GLU 43 7.336 -3.621 4.857
317 HG3 GLU 43 3HG GLU 43 8.180 -3.411 3.357
318 H ASN 44 H ASN 44 4.960 -3.347 2.702
319 HA ASN 44 HA ASN 44 6.570 -3.806 0.278
320 HB2 ASN 44 2HB ASN 44 6.492 -5.247 2.440
321 HB3 ASN 44 3HB ASN 44 4.969 -5.864 1.832
322 HD21 ASN 44 1HD2 ASN 44 5.861 -7.848 1.915
323 HD22 ASN 44 2HD2 ASN 44 6.949 -8.376 0.648
324 H GLY 45 H GLY 45 3.405 -5.348 0.804
325 HA2 GLY 45 2HA GLY 45 1.389 -5.206 -0.293
326 HA3 GLY 45 3HA GLY 45 1.705 -3.514 0.015
327 H TRP 46 H TRP 46 1.914 -2.106 -1.563
328 HA TRP 46 HA TRP 46 1.315 -1.120 -3.461
329 HB2 TRP 46 2HB TRP 46 2.883 -2.333 -4.782
330 HB3 TRP 46 3HB TRP 46 1.809 -3.711 -4.916
331 HD1 TRP 46 HD1 TRP 46 2.380 -0.273 -6.400
332 HE1 TRP 46 HE1 TRP 46 1.000 -0.067 -8.574
333 HE3 TRP 46 HE3 TRP 46 -0.571 -4.424 -5.891
334 HZ2 TRP 46 HZ2 TRP 46 -1.134 -1.485 -9.874
335 HZ3 TRP 46 HZ3 TRP 46 -2.300 -4.951 -7.594
336 HH2 TRP 46 HH2 TRP 46 -2.587 -3.495 -9.587
337 H CYS 47 H CYS 47 -0.552 -0.539 -4.437
338 HA CYS 47 HA CYS 47 -2.961 -2.248 -3.974
339 HB2 CYS 47 2HB CYS 47 -4.178 -0.251 -3.320
340 HB3 CYS 47 3HB CYS 47 -2.702 -0.328 -2.346
341 H ARG 48 H ARG 48 -4.757 -1.880 -5.297
342 HA ARG 48 HA ARG 48 -4.193 -1.355 -8.130
343 HB2 ARG 48 2HB ARG 48 -6.759 -2.101 -6.657
344 HB3 ARG 48 3HB ARG 48 -6.579 -2.018 -8.413
345 HG2 ARG 48 2HG ARG 48 -4.837 -3.786 -8.322
346 HG3 ARG 48 3HG ARG 48 -5.109 -3.959 -6.578
347 HD2 ARG 48 2HD ARG 48 -7.443 -4.598 -6.954
348 HD3 ARG 48 3HD ARG 48 -7.296 -4.251 -8.681
349 HE ARG 48 HE ARG 48 -5.344 -6.132 -8.302
350 HH11 ARG 48 1HH1 ARG 48 -8.843 -6.122 -7.932
351 HH12 ARG 48 2HH1 ARG 48 -8.972 -7.783 -8.441
352 HH21 ARG 48 1HH2 ARG 48 -5.559 -8.282 -8.638
353 HH22 ARG 48 2HH2 ARG 48 -7.150 -8.968 -8.889
354 H LEU 49 H LEU 49 -4.517 0.868 -5.827
355 HA LEU 49 HA LEU 49 -6.523 2.650 -7.116
356 HB2 LEU 49 2HB LEU 49 -4.963 2.939 -4.518
357 HB3 LEU 49 3HB LEU 49 -6.256 3.994 -5.068
358 HG LEU 49 HG LEU 49 -6.570 1.053 -4.331
359 HD11 LEU 49 1HD1 LEU 49 -7.377 3.599 -2.876
360 HD12 LEU 49 2HD1 LEU 49 -7.836 1.952 -2.398
361 HD13 LEU 49 3HD1 LEU 49 -6.131 2.430 -2.385
362 HD21 LEU 49 1HD2 LEU 49 -8.257 1.710 -6.017
363 HD22 LEU 49 2HD2 LEU 49 -9.005 1.491 -4.433
364 HD23 LEU 49 3HD2 LEU 49 -8.684 3.130 -5.037
365 H TYR 50 H TYR 50 -5.879 5.044 -7.192
366 HA TYR 50 HA TYR 50 -3.135 5.269 -8.367
367 HB2 TYR 50 2HB TYR 50 -4.049 6.762 -10.054
368 HB3 TYR 50 3HB TYR 50 -4.686 5.135 -10.148
369 HD1 TYR 50 HD1 TYR 50 -5.498 8.666 -9.357
370 HD2 TYR 50 HD2 TYR 50 -7.056 4.667 -9.803
371 HE1 TYR 50 HE1 TYR 50 -7.826 9.564 -9.357
372 HE2 TYR 50 HE2 TYR 50 -9.375 5.567 -9.798
373 HH TYR 50 HH TYR 50 -10.695 7.430 -9.521
374 H ALA 51 H ALA 51 -1.894 6.967 -8.028
375 HA ALA 51 HA ALA 51 -2.489 8.783 -5.829
376 HB1 ALA 51 1HB ALA 51 -0.285 7.712 -6.091
377 HB2 ALA 51 2HB ALA 51 -0.062 8.518 -7.657
378 HB3 ALA 51 3HB ALA 51 -0.132 9.469 -6.165
379 H GLY 52 H GLY 52 -2.280 11.064 -5.889
380 HA2 GLY 52 2HA GLY 52 -3.091 12.533 -8.234
381 HA3 GLY 52 3HA GLY 52 -2.627 13.194 -6.666
382 H LYS 53 H LYS 53 -0.135 11.927 -6.431
383 HA LYS 53 HA LYS 53 1.685 13.383 -8.250
384 HB2 LYS 53 2HB LYS 53 2.044 11.505 -5.899
385 HB3 LYS 53 3HB LYS 53 3.389 11.846 -6.979
386 HG2 LYS 53 2HG LYS 53 3.492 13.225 -5.024
387 HG3 LYS 53 3HG LYS 53 3.360 14.195 -6.489
388 HD2 LYS 53 2HD LYS 53 1.131 14.843 -6.026
389 HD3 LYS 53 3HD LYS 53 0.903 13.576 -4.826
390 HE2 LYS 53 2HE LYS 53 2.774 15.960 -4.482
391 HE3 LYS 53 3HE LYS 53 1.132 15.839 -3.840
392 HZ1 LYS 53 1HZ LYS 53 2.560 15.148 -2.082
393 HZ2 LYS 53 2HZ LYS 53 1.919 13.771 -2.671
394 HZ3 LYS 53 3HZ LYS 53 3.459 14.191 -3.041
395 H ALA 54 H ALA 54 0.896 12.624 -10.178
396 HA ALA 54 HA ALA 54 1.903 9.967 -11.092
397 HB1 ALA 54 1HB ALA 54 -0.208 9.812 -12.447
398 HB2 ALA 54 2HB ALA 54 -0.502 9.795 -10.698
399 HB3 ALA 54 3HB ALA 54 -0.797 11.274 -11.634
Start of MODEL 16
1 H1 VAL 1 1H VAL 1 -16.991 12.075 10.307
2 H2 VAL 1 2H VAL 1 -16.304 12.356 8.842
3 H3 VAL 1 3H VAL 1 -15.918 13.298 10.133
4 HA VAL 1 HA VAL 1 -14.111 11.805 9.757
5 HB VAL 1 HB VAL 1 -15.720 10.838 12.158
6 HG11 VAL 1 1HG1 VAL 1 -12.715 10.832 11.619
7 HG12 VAL 1 2HG1 VAL 1 -13.503 10.328 13.124
8 HG13 VAL 1 3HG1 VAL 1 -13.755 9.388 11.657
9 HG21 VAL 1 1HG2 VAL 1 -15.442 13.294 12.233
10 HG22 VAL 1 2HG2 VAL 1 -14.446 12.492 13.441
11 HG23 VAL 1 3HG2 VAL 1 -13.691 13.108 11.959
12 H THR 2 H THR 2 -14.168 10.573 7.947
13 HA THR 2 HA THR 2 -15.765 8.058 7.958
14 HB THR 2 HB THR 2 -15.894 9.713 6.056
15 HG1 THR 2 HG1 THR 2 -16.473 8.088 4.921
16 HG21 THR 2 1HG2 THR 2 -14.295 9.550 4.272
17 HG22 THR 2 2HG2 THR 2 -13.447 10.113 5.718
18 HG23 THR 2 3HG2 THR 2 -13.274 8.426 5.191
19 H LYS 3 H LYS 3 -14.761 6.197 6.873
20 HA LYS 3 HA LYS 3 -12.011 5.636 7.914
21 HB2 LYS 3 2HB LYS 3 -14.246 4.223 8.500
22 HB3 LYS 3 3HB LYS 3 -13.869 3.465 6.959
23 HG2 LYS 3 2HG LYS 3 -12.783 2.111 8.513
24 HG3 LYS 3 3HG LYS 3 -11.464 3.136 7.938
25 HD2 LYS 3 2HD LYS 3 -11.909 4.643 9.956
26 HD3 LYS 3 3HD LYS 3 -13.079 3.451 10.518
27 HE2 LYS 3 2HE LYS 3 -10.088 3.002 10.107
28 HE3 LYS 3 3HE LYS 3 -10.921 3.243 11.644
29 HZ1 LYS 3 1HZ LYS 3 -12.243 1.163 10.968
30 HZ2 LYS 3 2HZ LYS 3 -11.057 0.910 9.856
31 HZ3 LYS 3 3HZ LYS 3 -10.668 0.946 11.438
32 H LYS 4 H LYS 4 -10.475 4.609 6.540
33 HA LYS 4 HA LYS 4 -10.776 5.192 3.676
34 HB2 LYS 4 2HB LYS 4 -8.523 3.951 5.290
35 HB3 LYS 4 3HB LYS 4 -8.428 4.174 3.553
36 HG2 LYS 4 2HG LYS 4 -9.307 6.577 4.988
37 HG3 LYS 4 3HG LYS 4 -7.680 6.054 5.451
38 HD2 LYS 4 2HD LYS 4 -7.306 7.599 3.741
39 HD3 LYS 4 3HD LYS 4 -7.228 6.049 2.877
40 HE2 LYS 4 2HE LYS 4 -9.639 6.335 2.259
41 HE3 LYS 4 3HE LYS 4 -9.672 7.882 3.103
42 HZ1 LYS 4 1HZ LYS 4 -8.273 8.826 1.500
43 HZ2 LYS 4 2HZ LYS 4 -7.785 7.366 0.894
44 HZ3 LYS 4 3HZ LYS 4 -9.324 7.892 0.622
45 H ALA 5 H ALA 5 -9.979 3.650 2.166
46 HA ALA 5 HA ALA 5 -11.942 1.636 1.801
47 HB1 ALA 5 1HB ALA 5 -9.277 1.922 0.365
48 HB2 ALA 5 2HB ALA 5 -10.691 1.043 -0.228
49 HB3 ALA 5 3HB ALA 5 -10.776 2.795 -0.041
50 H SER 6 H SER 6 -12.013 -0.587 2.011
51 HA SER 6 HA SER 6 -10.256 -1.869 3.904
52 HB2 SER 6 2HB SER 6 -11.549 -3.776 3.685
53 HB3 SER 6 3HB SER 6 -12.707 -2.481 3.354
54 HG SER 6 HG SER 6 -12.746 -4.298 1.884
55 H HIS 7 H HIS 7 -9.061 -3.951 3.464
56 HA HIS 7 HA HIS 7 -7.092 -3.481 1.409
57 HB2 HIS 7 2HB HIS 7 -7.585 -5.740 3.355
58 HB3 HIS 7 3HB HIS 7 -6.292 -5.790 2.181
59 HD2 HIS 7 HD2 HIS 7 -7.445 -3.419 5.091
60 HE1 HIS 7 HE1 HIS 7 -3.303 -2.737 4.411
61 HE2 HIS 7 HE2 HIS 7 -5.285 -2.083 5.834
62 H LYS 8 H LYS 8 -10.106 -5.279 1.246
63 HA LYS 8 HA LYS 8 -9.549 -6.551 -1.343
64 HB2 LYS 8 2HB LYS 8 -11.331 -7.380 0.097
65 HB3 LYS 8 3HB LYS 8 -12.160 -5.827 -0.015
66 HG2 LYS 8 2HG LYS 8 -13.225 -7.270 -1.503
67 HG3 LYS 8 3HG LYS 8 -12.357 -6.149 -2.517
68 HD2 LYS 8 2HD LYS 8 -10.588 -7.898 -2.899
69 HD3 LYS 8 3HD LYS 8 -11.502 -9.007 -1.865
70 HE2 LYS 8 2HE LYS 8 -13.478 -8.727 -3.432
71 HE3 LYS 8 3HE LYS 8 -12.436 -7.771 -4.494
72 HZ1 LYS 8 1HZ LYS 8 -12.455 -10.052 -5.258
73 HZ2 LYS 8 2HZ LYS 8 -10.976 -9.783 -4.660
74 HZ3 LYS 8 3HZ LYS 8 -12.059 -10.641 -3.780
75 H ASP 9 H ASP 9 -11.373 -3.643 -0.389
76 HA ASP 9 HA ASP 9 -11.969 -2.680 -2.953
77 HB2 ASP 9 2HB ASP 9 -12.843 -2.078 -0.610
78 HB3 ASP 9 3HB ASP 9 -11.501 -0.979 -0.508
79 H ALA 10 H ALA 10 -9.176 -1.953 -0.934
80 HA ALA 10 HA ALA 10 -7.925 -0.121 -2.821
81 HB1 ALA 10 1HB ALA 10 -6.806 -1.521 -0.373
82 HB2 ALA 10 2HB ALA 10 -6.099 -0.115 -1.198
83 HB3 ALA 10 3HB ALA 10 -7.662 0.041 -0.374
84 H GLY 11 H GLY 11 -7.945 -3.592 -2.748
85 HA2 GLY 11 2HA GLY 11 -7.004 -5.011 -4.316
86 HA3 GLY 11 3HA GLY 11 -6.040 -3.692 -4.968
87 H TYR 12 H TYR 12 -5.856 -4.602 -1.533
88 HA TYR 12 HA TYR 12 -3.079 -4.851 -1.339
89 HB2 TYR 12 2HB TYR 12 -4.577 -4.686 0.586
90 HB3 TYR 12 3HB TYR 12 -5.295 -6.252 0.194
91 HD1 TYR 12 HD1 TYR 12 -2.271 -4.594 1.526
92 HD2 TYR 12 HD2 TYR 12 -4.278 -8.346 0.843
93 HE1 TYR 12 HE1 TYR 12 -0.568 -5.754 2.899
94 HE2 TYR 12 HE2 TYR 12 -2.538 -9.521 2.181
95 HH TYR 12 HH TYR 12 0.226 -7.752 3.631
96 H GLN 13 H GLN 13 -1.570 -6.440 -1.418
97 HA GLN 13 HA GLN 13 -2.289 -9.260 -1.847
98 HB2 GLN 13 2HB GLN 13 -0.667 -9.404 -3.761
99 HB3 GLN 13 3HB GLN 13 -2.190 -8.623 -4.093
100 HG2 GLN 13 2HG GLN 13 -1.012 -6.352 -3.830
101 HG3 GLN 13 3HG GLN 13 0.510 -7.251 -3.721
102 HE21 GLN 13 1HE2 GLN 13 1.600 -7.027 -5.523
103 HE22 GLN 13 2HE2 GLN 13 0.887 -7.366 -7.084
104 H GLU 14 H GLU 14 -0.942 -10.679 -1.015
105 HA GLU 14 HA GLU 14 1.084 -9.866 0.765
106 HB2 GLU 14 2HB GLU 14 1.351 -12.162 1.279
107 HB3 GLU 14 3HB GLU 14 -0.346 -11.792 1.043
108 HG2 GLU 14 2HG GLU 14 -0.294 -13.724 -0.146
109 HG3 GLU 14 3HG GLU 14 0.162 -12.626 -1.448
110 H SER 15 H SER 15 1.465 -10.145 -2.560
111 HA SER 15 HA SER 15 4.424 -10.251 -2.301
112 HB2 SER 15 2HB SER 15 4.217 -11.454 -4.696
113 HB3 SER 15 3HB SER 15 4.482 -12.267 -3.162
114 HG SER 15 HG SER 15 2.432 -12.975 -3.122
115 HA PRO 16 HA PRO 16 4.131 -6.563 -4.425
116 HB2 PRO 16 2HB PRO 16 6.643 -6.114 -5.416
117 HB3 PRO 16 3HB PRO 16 6.249 -6.181 -3.670
118 HG2 PRO 16 2HG PRO 16 7.420 -8.365 -5.390
119 HG3 PRO 16 3HG PRO 16 7.925 -7.843 -3.755
120 HD2 PRO 16 2HD PRO 16 6.275 -9.998 -4.205
121 HD3 PRO 16 3HD PRO 16 6.159 -9.014 -2.734
122 H ASN 17 H ASN 17 4.019 -5.347 -6.357
123 HA ASN 17 HA ASN 17 3.235 -6.978 -8.702
124 HB2 ASN 17 2HB ASN 17 1.612 -5.403 -7.761
125 HB3 ASN 17 3HB ASN 17 2.746 -4.092 -7.880
126 HD21 ASN 17 1HD2 ASN 17 0.687 -3.285 -9.037
127 HD22 ASN 17 2HD2 ASN 17 0.524 -3.643 -10.739
128 H GLY 18 H GLY 18 5.461 -7.548 -9.201
129 HA2 GLY 18 2HA GLY 18 7.432 -7.330 -10.399
130 HA3 GLY 18 3HA GLY 18 6.832 -5.808 -11.062
131 H ALA 19 H ALA 19 7.999 -4.108 -10.507
132 HA ALA 19 HA ALA 19 9.723 -4.047 -8.121
133 HB1 ALA 19 1HB ALA 19 9.198 -1.976 -10.294
134 HB2 ALA 19 2HB ALA 19 10.497 -1.932 -9.086
135 HB3 ALA 19 3HB ALA 19 10.486 -3.201 -10.320
136 H LYS 20 H LYS 20 6.403 -3.340 -8.566
137 HA LYS 20 HA LYS 20 6.458 -0.927 -6.871
138 HB2 LYS 20 2HB LYS 20 4.140 -2.169 -8.395
139 HB3 LYS 20 3HB LYS 20 4.121 -0.667 -7.485
140 HG2 LYS 20 2HG LYS 20 4.457 0.218 -9.516
141 HG3 LYS 20 3HG LYS 20 6.147 0.000 -9.068
142 HD2 LYS 20 2HD LYS 20 6.279 -2.046 -10.420
143 HD3 LYS 20 3HD LYS 20 4.549 -1.985 -10.761
144 HE2 LYS 20 2HE LYS 20 6.562 0.155 -11.592
145 HE3 LYS 20 3HE LYS 20 6.040 -1.182 -12.626
146 HZ1 LYS 20 1HZ LYS 20 4.263 0.961 -11.569
147 HZ2 LYS 20 2HZ LYS 20 4.708 0.739 -13.136
148 HZ3 LYS 20 3HZ LYS 20 3.744 -0.349 -12.387
149 H ARG 21 H ARG 21 6.203 -0.944 -4.810
150 HA ARG 21 HA ARG 21 3.833 -2.081 -3.639
151 HB2 ARG 21 2HB ARG 21 4.670 -3.548 -2.039
152 HB3 ARG 21 3HB ARG 21 5.677 -3.938 -3.429
153 HG2 ARG 21 2HG ARG 21 7.420 -2.300 -2.436
154 HG3 ARG 21 3HG ARG 21 6.388 -2.272 -0.997
155 HD2 ARG 21 2HD ARG 21 6.585 -4.809 -0.930
156 HD3 ARG 21 3HD ARG 21 7.866 -4.660 -2.137
157 HE ARG 21 HE ARG 21 7.911 -3.767 0.699
158 HH11 ARG 21 1HH1 ARG 21 9.654 -3.420 -2.364
159 HH12 ARG 21 2HH1 ARG 21 11.184 -3.296 -1.543
160 HH21 ARG 21 1HH2 ARG 21 9.859 -3.479 1.656
161 HH22 ARG 21 2HH2 ARG 21 11.265 -3.142 0.671
162 H CYS 22 H CYS 22 3.681 -1.315 -1.218
163 HA CYS 22 HA CYS 22 3.885 1.324 -0.779
164 HB2 CYS 22 2HB CYS 22 4.328 -0.864 1.290
165 HB3 CYS 22 3HB CYS 22 3.571 0.724 1.529
166 H GLY 23 H GLY 23 6.620 -0.864 0.271
167 HA2 GLY 23 2HA GLY 23 8.432 1.048 1.135
168 HA3 GLY 23 3HA GLY 23 8.877 -0.471 0.369
169 H THR 24 H THR 24 7.543 0.633 -2.265
170 HA THR 24 HA THR 24 9.670 2.578 -3.088
171 HB THR 24 HB THR 24 9.290 1.656 -5.404
172 HG1 THR 24 HG1 THR 24 7.377 0.623 -5.172
173 HG21 THR 24 1HG2 THR 24 10.302 -0.339 -3.339
174 HG22 THR 24 2HG2 THR 24 10.630 -0.360 -5.085
175 HG23 THR 24 3HG2 THR 24 11.244 0.970 -4.092
176 H CYS 25 H CYS 25 6.541 2.606 -2.197
177 HA CYS 25 HA CYS 25 5.191 3.680 -4.457
178 HB2 CYS 25 2HB CYS 25 4.047 2.498 -2.697
179 HB3 CYS 25 3HB CYS 25 4.566 3.671 -1.486
180 H ARG 26 H ARG 26 4.157 5.638 -4.698
181 HA ARG 26 HA ARG 26 5.750 8.072 -4.213
182 HB2 ARG 26 2HB ARG 26 3.153 7.462 -5.698
183 HB3 ARG 26 3HB ARG 26 3.817 9.097 -5.558
184 HG2 ARG 26 2HG ARG 26 5.832 8.498 -6.700
185 HG3 ARG 26 3HG ARG 26 5.411 6.773 -6.721
186 HD2 ARG 26 2HD ARG 26 3.532 7.195 -8.213
187 HD3 ARG 26 3HD ARG 26 3.829 8.946 -8.140
188 HE ARG 26 HE ARG 26 6.231 7.706 -8.988
189 HH11 ARG 26 1HH1 ARG 26 2.971 8.006 -10.352
190 HH12 ARG 26 2HH1 ARG 26 3.641 8.333 -11.953
191 HH21 ARG 26 1HH2 ARG 26 6.886 7.921 -11.171
192 HH22 ARG 26 2HH2 ARG 26 5.632 8.148 -12.379
193 H GLN 27 H GLN 27 3.421 6.430 -2.382
194 HA GLN 27 HA GLN 27 2.725 8.888 -0.869
195 HB2 GLN 27 2HB GLN 27 1.120 8.405 -2.722
196 HB3 GLN 27 3HB GLN 27 0.754 6.848 -1.988
197 HG2 GLN 27 2HG GLN 27 -0.900 8.734 -1.641
198 HG3 GLN 27 3HG GLN 27 -0.426 7.870 -0.194
199 HE21 GLN 27 1HE2 GLN 27 0.902 8.976 1.381
200 HE22 GLN 27 2HE2 GLN 27 1.158 10.720 1.287
201 H PHE 28 H PHE 28 4.276 6.164 -0.253
202 HA PHE 28 HA PHE 28 2.724 4.973 1.877
203 HB2 PHE 28 2HB PHE 28 4.466 3.769 0.725
204 HB3 PHE 28 3HB PHE 28 5.688 4.933 1.219
205 HD1 PHE 28 HD1 PHE 28 3.018 2.923 3.018
206 HD2 PHE 28 HD2 PHE 28 7.188 3.990 2.746
207 HE1 PHE 28 HE1 PHE 28 3.511 1.515 4.996
208 HE2 PHE 28 HE2 PHE 28 7.679 2.565 4.714
209 HZ PHE 28 HZ PHE 28 5.841 1.332 5.851
210 H ARG 29 H ARG 29 4.794 7.757 1.795
211 HA ARG 29 HA ARG 29 5.916 8.938 3.378
212 HB2 ARG 29 2HB ARG 29 3.801 10.019 2.806
213 HB3 ARG 29 3HB ARG 29 3.030 9.295 4.205
214 HG2 ARG 29 2HG ARG 29 3.689 11.660 4.572
215 HG3 ARG 29 3HG ARG 29 4.472 10.576 5.722
216 HD2 ARG 29 2HD ARG 29 6.560 10.641 4.394
217 HD3 ARG 29 3HD ARG 29 5.778 11.700 3.201
218 HE ARG 29 HE ARG 29 5.444 13.071 5.555
219 HH11 ARG 29 1HH1 ARG 29 8.360 11.810 4.005
220 HH12 ARG 29 2HH1 ARG 29 9.332 13.048 4.783
221 HH21 ARG 29 1HH2 ARG 29 6.837 14.544 6.486
222 HH22 ARG 29 2HH2 ARG 29 8.543 14.464 6.048
223 HA PRO 30 HA PRO 30 6.201 5.665 6.460
224 HB2 PRO 30 2HB PRO 30 8.883 6.033 7.209
225 HB3 PRO 30 3HB PRO 30 8.274 5.030 5.859
226 HG2 PRO 30 2HG PRO 30 9.258 7.888 5.782
227 HG3 PRO 30 3HG PRO 30 9.665 6.544 4.665
228 HD2 PRO 30 2HD PRO 30 7.823 8.382 4.008
229 HD3 PRO 30 3HD PRO 30 7.520 6.658 3.630
230 HA PRO 31 HA PRO 31 7.388 4.637 8.474
231 HB2 PRO 31 2HB PRO 31 6.193 3.712 10.740
232 HB3 PRO 31 3HB PRO 31 7.735 4.613 10.733
233 HG2 PRO 31 2HG PRO 31 4.945 5.724 11.200
234 HG3 PRO 31 3HG PRO 31 6.413 5.953 12.215
235 HD2 PRO 31 2HD PRO 31 5.683 7.801 10.379
236 HD3 PRO 31 3HD PRO 31 7.403 7.374 10.598
237 H SER 32 H SER 32 4.060 5.912 8.475
238 HA SER 32 HA SER 32 3.195 3.614 6.868
239 HB2 SER 32 2HB SER 32 1.443 2.841 8.424
240 HB3 SER 32 3HB SER 32 3.051 2.645 9.108
241 HG SER 32 HG SER 32 0.970 3.991 10.068
242 H SER 33 H SER 33 2.988 6.738 6.633
243 HA SER 33 HA SER 33 0.043 7.073 6.795
244 HB2 SER 33 2HB SER 33 2.127 9.168 6.220
245 HB3 SER 33 3HB SER 33 0.360 9.351 6.310
246 HG SER 33 HG SER 33 0.434 8.686 8.495
247 H CYS 34 H CYS 34 0.157 5.394 5.137
248 HA CYS 34 HA CYS 34 -0.147 6.380 2.357
249 HB2 CYS 34 2HB CYS 34 0.390 4.031 2.609
250 HB3 CYS 34 3HB CYS 34 -0.982 3.797 3.699
251 H ILE 35 H ILE 35 -2.074 6.806 1.411
252 HA ILE 35 HA ILE 35 -4.470 7.167 3.135
253 HB ILE 35 HB ILE 35 -5.061 9.228 1.832
254 HG12 ILE 35 2HG1 ILE 35 -3.295 10.601 0.882
255 HG13 ILE 35 3HG1 ILE 35 -2.098 9.334 1.123
256 HG21 ILE 35 1HG2 ILE 35 -2.584 9.379 3.591
257 HG22 ILE 35 2HG2 ILE 35 -3.745 10.683 3.267
258 HG23 ILE 35 3HG2 ILE 35 -4.265 9.241 4.158
259 HD11 ILE 35 1HD1 ILE 35 -3.130 7.954 -0.599
260 HD12 ILE 35 2HD1 ILE 35 -4.535 9.039 -0.673
261 HD13 ILE 35 3HD1 ILE 35 -2.964 9.602 -1.244
262 H THR 36 H THR 36 -3.412 5.164 0.950
263 HA THR 36 HA THR 36 -5.875 5.172 -0.718
264 HB THR 36 HB THR 36 -3.618 3.153 -0.798
265 HG1 THR 36 HG1 THR 36 -2.557 4.450 -1.913
266 HG21 THR 36 1HG2 THR 36 -5.913 3.902 -2.679
267 HG22 THR 36 2HG2 THR 36 -4.558 2.873 -3.146
268 HG23 THR 36 3HG2 THR 36 -5.646 2.346 -1.871
269 H VAL 37 H VAL 37 -4.393 3.307 1.974
270 HA VAL 37 HA VAL 37 -6.874 1.629 2.014
271 HB VAL 37 HB VAL 37 -4.920 0.593 0.873
272 HG11 VAL 37 1HG1 VAL 37 -3.724 0.400 3.662
273 HG12 VAL 37 2HG1 VAL 37 -3.113 -0.372 2.192
274 HG13 VAL 37 3HG1 VAL 37 -3.092 1.392 2.322
275 HG21 VAL 37 1HG2 VAL 37 -6.802 -0.724 1.884
276 HG22 VAL 37 2HG2 VAL 37 -5.256 -1.592 1.760
277 HG23 VAL 37 3HG2 VAL 37 -5.792 -0.958 3.317
278 H GLU 38 H GLU 38 -7.405 0.503 3.908
279 HA GLU 38 HA GLU 38 -7.425 1.827 6.361
280 HB2 GLU 38 2HB GLU 38 -7.819 -0.987 5.454
281 HB3 GLU 38 3HB GLU 38 -7.679 -0.763 7.168
282 HG2 GLU 38 2HG GLU 38 -9.607 0.960 5.608
283 HG3 GLU 38 3HG GLU 38 -10.029 -0.690 6.084
284 H SER 39 H SER 39 -6.549 1.568 8.235
285 HA SER 39 HA SER 39 -3.609 1.326 8.136
286 HB2 SER 39 2HB SER 39 -3.692 2.924 10.080
287 HB3 SER 39 3HB SER 39 -4.413 3.521 8.589
288 HG SER 39 HG SER 39 -5.659 3.975 10.413
289 HA PRO 40 HA PRO 40 -1.968 1.767 9.831
290 HB2 PRO 40 2HB PRO 40 0.110 0.592 11.070
291 HB3 PRO 40 3HB PRO 40 -1.179 1.420 11.991
292 HG2 PRO 40 2HG PRO 40 -0.907 -1.552 11.453
293 HG3 PRO 40 3HG PRO 40 -1.247 -0.724 13.006
294 HD2 PRO 40 2HD PRO 40 -3.226 -1.778 11.404
295 HD3 PRO 40 3HD PRO 40 -3.471 -0.347 12.441
296 H ILE 41 H ILE 41 -0.498 1.822 8.164
297 HA ILE 41 HA ILE 41 -0.684 -0.495 6.358
298 HB ILE 41 HB ILE 41 0.245 2.333 5.745
299 HG12 ILE 41 2HG1 ILE 41 -2.146 2.083 4.472
300 HG13 ILE 41 3HG1 ILE 41 -2.468 1.007 5.812
301 HG21 ILE 41 1HG2 ILE 41 1.105 0.701 4.120
302 HG22 ILE 41 2HG2 ILE 41 -0.516 -0.019 3.954
303 HG23 ILE 41 3HG2 ILE 41 -0.194 1.618 3.380
304 HD11 ILE 41 1HD1 ILE 41 -3.292 3.253 6.272
305 HD12 ILE 41 2HD1 ILE 41 -1.951 2.942 7.380
306 HD13 ILE 41 3HD1 ILE 41 -1.703 3.957 5.946
307 H SER 42 H SER 42 0.910 -1.749 5.661
308 HA SER 42 HA SER 42 3.516 -1.613 7.033
309 HB2 SER 42 2HB SER 42 2.149 -3.739 5.350
310 HB3 SER 42 3HB SER 42 3.755 -3.923 6.083
311 HG SER 42 HG SER 42 2.252 -4.787 7.437
312 H GLU 43 H GLU 43 5.542 -2.224 5.865
313 HA GLU 43 HA GLU 43 6.009 -0.654 3.501
314 HB2 GLU 43 2HB GLU 43 8.276 -1.547 3.655
315 HB3 GLU 43 3HB GLU 43 7.660 -0.996 5.203
316 HG2 GLU 43 2HG GLU 43 8.633 -2.945 5.874
317 HG3 GLU 43 3HG GLU 43 7.016 -3.519 5.619
318 H ASN 44 H ASN 44 4.703 -3.787 3.788
319 HA ASN 44 HA ASN 44 4.846 -4.093 0.834
320 HB2 ASN 44 2HB ASN 44 4.987 -6.496 1.032
321 HB3 ASN 44 3HB ASN 44 6.275 -5.816 2.022
322 HD21 ASN 44 1HD2 ASN 44 6.294 -6.091 4.177
323 HD22 ASN 44 2HD2 ASN 44 5.131 -7.200 4.914
324 H GLY 45 H GLY 45 2.948 -4.868 -0.171
325 HA2 GLY 45 2HA GLY 45 0.628 -5.800 0.623
326 HA3 GLY 45 3HA GLY 45 0.449 -4.152 1.245
327 H TRP 46 H TRP 46 1.514 -2.608 -0.775
328 HA TRP 46 HA TRP 46 1.068 -1.576 -2.727
329 HB2 TRP 46 2HB TRP 46 2.024 -3.540 -3.820
330 HB3 TRP 46 3HB TRP 46 0.467 -4.336 -3.820
331 HD1 TRP 46 HD1 TRP 46 2.464 -1.734 -5.739
332 HE1 TRP 46 HE1 TRP 46 1.243 -1.117 -7.924
333 HE3 TRP 46 HE3 TRP 46 -1.972 -4.143 -4.888
334 HZ2 TRP 46 HZ2 TRP 46 -1.391 -1.475 -9.052
335 HZ3 TRP 46 HZ3 TRP 46 -3.846 -3.927 -6.514
336 HH2 TRP 46 HH2 TRP 46 -3.551 -2.624 -8.602
337 H CYS 47 H CYS 47 -0.655 -0.870 -4.255
338 HA CYS 47 HA CYS 47 -3.384 -1.676 -3.737
339 HB2 CYS 47 2HB CYS 47 -4.183 0.431 -2.798
340 HB3 CYS 47 3HB CYS 47 -2.807 -0.074 -1.797
341 H ARG 48 H ARG 48 -4.917 -0.330 -4.960
342 HA ARG 48 HA ARG 48 -4.121 0.371 -7.659
343 HB2 ARG 48 2HB ARG 48 -6.692 0.867 -6.078
344 HB3 ARG 48 3HB ARG 48 -6.530 1.081 -7.825
345 HG2 ARG 48 2HG ARG 48 -6.154 -1.278 -8.174
346 HG3 ARG 48 3HG ARG 48 -6.112 -1.598 -6.433
347 HD2 ARG 48 2HD ARG 48 -8.446 -0.884 -6.193
348 HD3 ARG 48 3HD ARG 48 -8.522 -0.470 -7.911
349 HE ARG 48 HE ARG 48 -8.060 -2.910 -8.394
350 HH11 ARG 48 1HH1 ARG 48 -9.860 -2.145 -5.432
351 HH12 ARG 48 2HH1 ARG 48 -10.633 -3.710 -5.520
352 HH21 ARG 48 1HH2 ARG 48 -8.853 -4.831 -8.181
353 HH22 ARG 48 2HH2 ARG 48 -9.847 -5.254 -6.787
354 H LEU 49 H LEU 49 -3.468 2.151 -4.975
355 HA LEU 49 HA LEU 49 -2.977 4.191 -4.403
356 HB2 LEU 49 2HB LEU 49 -1.532 3.846 -6.406
357 HB3 LEU 49 3HB LEU 49 -2.658 4.802 -7.345
358 HG LEU 49 HG LEU 49 -2.156 6.787 -6.011
359 HD11 LEU 49 1HD1 LEU 49 -0.287 4.990 -4.421
360 HD12 LEU 49 2HD1 LEU 49 -0.258 6.758 -4.370
361 HD13 LEU 49 3HD1 LEU 49 -1.676 5.888 -3.786
362 HD21 LEU 49 1HD2 LEU 49 -0.713 6.240 -7.926
363 HD22 LEU 49 2HD2 LEU 49 0.196 7.091 -6.671
364 HD23 LEU 49 3HD2 LEU 49 0.376 5.334 -6.864
365 H TYR 50 H TYR 50 -3.814 6.057 -3.671
366 HA TYR 50 HA TYR 50 -6.194 7.255 -5.031
367 HB2 TYR 50 2HB TYR 50 -6.505 6.095 -2.825
368 HB3 TYR 50 3HB TYR 50 -5.496 7.324 -2.083
369 HD1 TYR 50 HD1 TYR 50 -8.534 6.933 -4.272
370 HD2 TYR 50 HD2 TYR 50 -6.632 9.214 -1.144
371 HE1 TYR 50 HE1 TYR 50 -10.575 8.303 -4.027
372 HE2 TYR 50 HE2 TYR 50 -8.683 10.595 -0.902
373 HH TYR 50 HH TYR 50 -11.624 9.954 -2.833
374 H ALA 51 H ALA 51 -3.092 7.926 -5.071
375 HA ALA 51 HA ALA 51 -2.990 10.660 -4.068
376 HB1 ALA 51 1HB ALA 51 -0.972 9.094 -5.728
377 HB2 ALA 51 2HB ALA 51 -0.667 10.582 -4.809
378 HB3 ALA 51 3HB ALA 51 -1.069 9.089 -3.952
379 H GLY 52 H GLY 52 -2.412 12.515 -5.279
380 HA2 GLY 52 2HA GLY 52 -3.772 12.980 -7.762
381 HA3 GLY 52 3HA GLY 52 -2.794 14.106 -6.824
382 H LYS 53 H LYS 53 -0.756 11.663 -7.112
383 HA LYS 53 HA LYS 53 0.722 12.581 -9.489
384 HB2 LYS 53 2HB LYS 53 1.150 10.327 -7.493
385 HB3 LYS 53 3HB LYS 53 2.089 10.461 -8.976
386 HG2 LYS 53 2HG LYS 53 3.310 11.398 -7.117
387 HG3 LYS 53 3HG LYS 53 2.970 12.636 -8.334
388 HD2 LYS 53 2HD LYS 53 1.244 13.618 -6.986
389 HD3 LYS 53 3HD LYS 53 1.264 12.239 -5.859
390 HE2 LYS 53 2HE LYS 53 3.726 12.857 -5.391
391 HE3 LYS 53 3HE LYS 53 3.383 14.397 -6.200
392 HZ1 LYS 53 1HZ LYS 53 3.029 14.525 -3.775
393 HZ2 LYS 53 2HZ LYS 53 1.614 14.765 -4.553
394 HZ3 LYS 53 3HZ LYS 53 1.956 13.298 -3.844
395 H ALA 54 H ALA 54 -0.412 12.310 -11.216
396 HA ALA 54 HA ALA 54 -1.629 11.437 -12.955
397 HB1 ALA 54 1HB ALA 54 0.630 10.680 -13.449
398 HB2 ALA 54 2HB ALA 54 0.370 9.191 -12.522
399 HB3 ALA 54 3HB ALA 54 -0.552 9.486 -14.015
Start of MODEL 17
1 H1 VAL 1 1H VAL 1 -15.770 15.473 0.800
2 H2 VAL 1 2H VAL 1 -17.289 15.850 1.289
3 H3 VAL 1 3H VAL 1 -17.063 14.764 0.072
4 HA VAL 1 HA VAL 1 -16.248 14.389 2.878
5 HB VAL 1 HB VAL 1 -18.376 12.861 1.328
6 HG11 VAL 1 1HG1 VAL 1 -17.582 12.802 4.274
7 HG12 VAL 1 2HG1 VAL 1 -18.926 11.911 3.532
8 HG13 VAL 1 3HG1 VAL 1 -17.270 11.514 3.083
9 HG21 VAL 1 1HG2 VAL 1 -19.261 15.104 1.827
10 HG22 VAL 1 2HG2 VAL 1 -20.014 13.902 2.865
11 HG23 VAL 1 3HG2 VAL 1 -18.743 14.946 3.525
12 H THR 2 H THR 2 -14.592 12.987 3.147
13 HA THR 2 HA THR 2 -13.940 11.052 0.957
14 HB THR 2 HB THR 2 -11.900 12.895 2.251
15 HG1 THR 2 HG1 THR 2 -13.105 14.132 0.864
16 HG21 THR 2 1HG2 THR 2 -11.047 10.693 1.356
17 HG22 THR 2 2HG2 THR 2 -11.731 11.106 -0.216
18 HG23 THR 2 3HG2 THR 2 -10.430 12.097 0.474
19 H LYS 3 H LYS 3 -14.197 9.129 1.908
20 HA LYS 3 HA LYS 3 -12.966 8.394 4.502
21 HB2 LYS 3 2HB LYS 3 -15.244 7.748 3.682
22 HB3 LYS 3 3HB LYS 3 -14.457 6.770 2.437
23 HG2 LYS 3 2HG LYS 3 -13.375 5.411 4.203
24 HG3 LYS 3 3HG LYS 3 -14.095 6.421 5.461
25 HD2 LYS 3 2HD LYS 3 -15.651 4.956 3.321
26 HD3 LYS 3 3HD LYS 3 -15.281 4.227 4.890
27 HE2 LYS 3 2HE LYS 3 -16.988 6.724 4.426
28 HE3 LYS 3 3HE LYS 3 -17.599 5.103 4.758
29 HZ1 LYS 3 1HZ LYS 3 -16.339 5.224 6.903
30 HZ2 LYS 3 2HZ LYS 3 -16.033 6.796 6.621
31 HZ3 LYS 3 3HZ LYS 3 -17.591 6.308 6.789
32 H LYS 4 H LYS 4 -11.318 6.614 4.614
33 HA LYS 4 HA LYS 4 -9.458 6.469 2.334
34 HB2 LYS 4 2HB LYS 4 -9.339 4.932 4.961
35 HB3 LYS 4 3HB LYS 4 -8.068 5.130 3.758
36 HG2 LYS 4 2HG LYS 4 -8.232 7.599 4.066
37 HG3 LYS 4 3HG LYS 4 -9.340 7.342 5.406
38 HD2 LYS 4 2HD LYS 4 -7.221 7.766 6.370
39 HD3 LYS 4 3HD LYS 4 -7.580 6.047 6.608
40 HE2 LYS 4 2HE LYS 4 -6.129 5.500 4.661
41 HE3 LYS 4 3HE LYS 4 -5.780 7.217 4.430
42 HZ1 LYS 4 1HZ LYS 4 -4.618 7.275 6.509
43 HZ2 LYS 4 2HZ LYS 4 -5.177 5.790 6.958
44 HZ3 LYS 4 3HZ LYS 4 -4.084 5.940 5.725
45 H ALA 5 H ALA 5 -8.673 4.374 1.660
46 HA ALA 5 HA ALA 5 -10.941 2.696 0.752
47 HB1 ALA 5 1HB ALA 5 -9.285 1.638 -0.707
48 HB2 ALA 5 2HB ALA 5 -9.217 3.407 -0.854
49 HB3 ALA 5 3HB ALA 5 -7.977 2.545 0.087
50 H SER 6 H SER 6 -11.470 0.672 1.489
51 HA SER 6 HA SER 6 -9.994 -0.600 3.662
52 HB2 SER 6 2HB SER 6 -11.552 -2.362 3.530
53 HB3 SER 6 3HB SER 6 -12.465 -0.883 3.236
54 HG SER 6 HG SER 6 -13.058 -2.458 1.768
55 H HIS 7 H HIS 7 -9.000 -2.772 3.487
56 HA HIS 7 HA HIS 7 -7.095 -2.916 1.319
57 HB2 HIS 7 2HB HIS 7 -7.811 -4.816 3.556
58 HB3 HIS 7 3HB HIS 7 -6.623 -5.221 2.316
59 HD2 HIS 7 HD2 HIS 7 -7.160 -2.538 5.086
60 HE1 HIS 7 HE1 HIS 7 -3.110 -2.241 3.801
61 HE2 HIS 7 HE2 HIS 7 -4.835 -1.336 5.437
62 H LYS 8 H LYS 8 -10.341 -3.959 1.375
63 HA LYS 8 HA LYS 8 -10.185 -5.879 -0.862
64 HB2 LYS 8 2HB LYS 8 -12.579 -4.394 0.319
65 HB3 LYS 8 3HB LYS 8 -12.643 -5.750 -0.783
66 HG2 LYS 8 2HG LYS 8 -11.552 -5.820 2.063
67 HG3 LYS 8 3HG LYS 8 -13.171 -6.279 1.547
68 HD2 LYS 8 2HD LYS 8 -12.253 -8.098 0.145
69 HD3 LYS 8 3HD LYS 8 -10.608 -7.618 0.553
70 HE2 LYS 8 2HE LYS 8 -12.681 -8.728 2.492
71 HE3 LYS 8 3HE LYS 8 -11.301 -9.593 1.805
72 HZ1 LYS 8 1HZ LYS 8 -11.194 -7.324 3.711
73 HZ2 LYS 8 2HZ LYS 8 -10.617 -8.843 3.947
74 HZ3 LYS 8 3HZ LYS 8 -9.878 -7.852 2.883
75 H ASP 9 H ASP 9 -11.560 -2.611 -0.423
76 HA ASP 9 HA ASP 9 -12.000 -2.074 -3.192
77 HB2 ASP 9 2HB ASP 9 -11.743 -0.419 -0.652
78 HB3 ASP 9 3HB ASP 9 -12.008 0.316 -2.208
79 H ALA 10 H ALA 10 -9.123 -1.566 -1.163
80 HA ALA 10 HA ALA 10 -7.611 -0.181 -3.215
81 HB1 ALA 10 1HB ALA 10 -6.733 -1.537 -0.634
82 HB2 ALA 10 2HB ALA 10 -5.785 -0.381 -1.585
83 HB3 ALA 10 3HB ALA 10 -7.272 0.149 -0.787
84 H GLY 11 H GLY 11 -8.135 -3.616 -2.551
85 HA2 GLY 11 2HA GLY 11 -7.362 -5.471 -3.686
86 HA3 GLY 11 3HA GLY 11 -6.617 -4.409 -4.884
87 H TYR 12 H TYR 12 -5.958 -4.651 -1.363
88 HA TYR 12 HA TYR 12 -3.116 -4.764 -1.502
89 HB2 TYR 12 2HB TYR 12 -4.154 -4.242 0.573
90 HB3 TYR 12 3HB TYR 12 -5.157 -5.688 0.537
91 HD1 TYR 12 HD1 TYR 12 -1.702 -4.450 1.157
92 HD2 TYR 12 HD2 TYR 12 -4.380 -7.824 1.334
93 HE1 TYR 12 HE1 TYR 12 0.027 -5.769 2.388
94 HE2 TYR 12 HE2 TYR 12 -2.631 -9.152 2.518
95 HH TYR 12 HH TYR 12 0.615 -7.781 3.219
96 H GLN 13 H GLN 13 -1.612 -6.495 -1.253
97 HA GLN 13 HA GLN 13 -2.595 -9.250 -1.465
98 HB2 GLN 13 2HB GLN 13 -1.049 -9.724 -3.418
99 HB3 GLN 13 3HB GLN 13 -2.546 -8.860 -3.754
100 HG2 GLN 13 2HG GLN 13 -1.299 -6.698 -3.873
101 HG3 GLN 13 3HG GLN 13 0.205 -7.560 -3.541
102 HE21 GLN 13 1HE2 GLN 13 1.419 -7.633 -5.257
103 HE22 GLN 13 2HE2 GLN 13 0.828 -8.054 -6.840
104 H GLU 14 H GLU 14 -1.316 -10.791 -0.717
105 HA GLU 14 HA GLU 14 0.839 -10.185 1.053
106 HB2 GLU 14 2HB GLU 14 0.922 -12.703 1.283
107 HB3 GLU 14 3HB GLU 14 -0.548 -11.827 1.693
108 HG2 GLU 14 2HG GLU 14 -1.048 -13.930 0.575
109 HG3 GLU 14 3HG GLU 14 -1.685 -12.506 -0.235
110 H SER 15 H SER 15 0.932 -10.496 -2.217
111 HA SER 15 HA SER 15 3.809 -11.270 -2.314
112 HB2 SER 15 2HB SER 15 3.228 -12.103 -4.678
113 HB3 SER 15 3HB SER 15 2.804 -13.078 -3.291
114 HG SER 15 HG SER 15 0.654 -12.448 -3.532
115 HA PRO 16 HA PRO 16 4.526 -7.497 -4.390
116 HB2 PRO 16 2HB PRO 16 6.646 -8.007 -6.062
117 HB3 PRO 16 3HB PRO 16 6.769 -7.939 -4.288
118 HG2 PRO 16 2HG PRO 16 6.636 -10.347 -6.067
119 HG3 PRO 16 3HG PRO 16 7.577 -10.101 -4.565
120 HD2 PRO 16 2HD PRO 16 5.154 -11.470 -4.803
121 HD3 PRO 16 3HD PRO 16 5.759 -10.837 -3.264
122 H ASN 17 H ASN 17 4.675 -6.356 -6.440
123 HA ASN 17 HA ASN 17 3.431 -7.693 -8.789
124 HB2 ASN 17 2HB ASN 17 1.727 -6.336 -7.585
125 HB3 ASN 17 3HB ASN 17 2.703 -4.907 -7.773
126 HD21 ASN 17 1HD2 ASN 17 0.166 -4.822 -8.740
127 HD22 ASN 17 2HD2 ASN 17 0.073 -5.151 -10.451
128 H GLY 18 H GLY 18 5.773 -7.979 -9.150
129 HA2 GLY 18 2HA GLY 18 7.718 -7.481 -10.260
130 HA3 GLY 18 3HA GLY 18 6.917 -6.066 -10.955
131 H ALA 19 H ALA 19 7.732 -4.167 -10.368
132 HA ALA 19 HA ALA 19 9.279 -3.856 -7.835
133 HB1 ALA 19 1HB ALA 19 9.375 -2.252 -10.419
134 HB2 ALA 19 2HB ALA 19 10.385 -1.989 -8.981
135 HB3 ALA 19 3HB ALA 19 10.541 -3.493 -9.897
136 H LYS 20 H LYS 20 6.134 -3.382 -8.604
137 HA LYS 20 HA LYS 20 5.913 -0.558 -7.683
138 HB2 LYS 20 2HB LYS 20 3.708 -2.444 -8.618
139 HB3 LYS 20 3HB LYS 20 3.579 -0.730 -8.268
140 HG2 LYS 20 2HG LYS 20 3.695 -0.611 -10.521
141 HG3 LYS 20 3HG LYS 20 5.421 -0.475 -10.167
142 HD2 LYS 20 2HD LYS 20 5.717 -2.863 -10.717
143 HD3 LYS 20 3HD LYS 20 3.955 -3.054 -10.893
144 HE2 LYS 20 2HE LYS 20 3.941 -1.554 -12.813
145 HE3 LYS 20 3HE LYS 20 5.657 -1.185 -12.595
146 HZ1 LYS 20 1HZ LYS 20 6.145 -3.523 -13.046
147 HZ2 LYS 20 2HZ LYS 20 4.546 -3.852 -13.272
148 HZ3 LYS 20 3HZ LYS 20 5.339 -2.873 -14.323
149 H ARG 21 H ARG 21 6.033 -0.319 -5.482
150 HA ARG 21 HA ARG 21 3.819 -1.485 -3.960
151 HB2 ARG 21 2HB ARG 21 4.921 -2.740 -2.403
152 HB3 ARG 21 3HB ARG 21 5.872 -3.094 -3.834
153 HG2 ARG 21 2HG ARG 21 7.512 -1.288 -3.035
154 HG3 ARG 21 3HG ARG 21 6.586 -1.297 -1.517
155 HD2 ARG 21 2HD ARG 21 6.966 -3.876 -1.542
156 HD3 ARG 21 3HD ARG 21 8.176 -3.540 -2.790
157 HE ARG 21 HE ARG 21 8.455 -1.969 -0.323
158 HH11 ARG 21 1HH1 ARG 21 9.336 -5.048 -1.792
159 HH12 ARG 21 2HH1 ARG 21 10.762 -5.214 -0.818
160 HH21 ARG 21 1HH2 ARG 21 10.410 -2.207 0.813
161 HH22 ARG 21 2HH2 ARG 21 11.153 -3.802 0.798
162 H CYS 22 H CYS 22 3.674 -0.715 -1.730
163 HA CYS 22 HA CYS 22 3.464 1.908 -1.268
164 HB2 CYS 22 2HB CYS 22 4.225 -0.304 0.699
165 HB3 CYS 22 3HB CYS 22 3.333 1.197 1.060
166 H GLY 23 H GLY 23 6.479 0.112 -0.281
167 HA2 GLY 23 2HA GLY 23 7.836 2.171 0.910
168 HA3 GLY 23 3HA GLY 23 8.620 0.875 0.025
169 H THR 24 H THR 24 7.278 2.169 -2.579
170 HA THR 24 HA THR 24 8.873 4.698 -2.685
171 HB THR 24 HB THR 24 8.696 2.859 -5.083
172 HG1 THR 24 HG1 THR 24 10.033 1.753 -3.938
173 HG21 THR 24 1HG2 THR 24 9.287 5.078 -5.821
174 HG22 THR 24 2HG2 THR 24 10.368 5.325 -4.431
175 HG23 THR 24 3HG2 THR 24 10.786 4.173 -5.722
176 H CYS 25 H CYS 25 6.007 4.083 -2.118
177 HA CYS 25 HA CYS 25 4.509 5.133 -4.398
178 HB2 CYS 25 2HB CYS 25 3.478 3.450 -3.016
179 HB3 CYS 25 3HB CYS 25 3.762 4.394 -1.546
180 H ARG 26 H ARG 26 3.445 6.996 -4.552
181 HA ARG 26 HA ARG 26 4.503 9.473 -3.542
182 HB2 ARG 26 2HB ARG 26 3.389 9.085 -5.723
183 HB3 ARG 26 3HB ARG 26 1.867 8.732 -4.901
184 HG2 ARG 26 2HG ARG 26 1.727 11.063 -4.108
185 HG3 ARG 26 3HG ARG 26 3.308 11.420 -4.841
186 HD2 ARG 26 2HD ARG 26 2.361 10.804 -7.079
187 HD3 ARG 26 3HD ARG 26 0.808 10.468 -6.315
188 HE ARG 26 HE ARG 26 0.390 12.757 -6.038
189 HH11 ARG 26 1HH1 ARG 26 3.694 12.451 -7.190
190 HH12 ARG 26 2HH1 ARG 26 3.640 14.015 -7.975
191 HH21 ARG 26 1HH2 ARG 26 0.508 14.776 -6.692
192 HH22 ARG 26 2HH2 ARG 26 1.908 15.384 -7.570
193 H GLN 27 H GLN 27 2.215 7.286 -2.159
194 HA GLN 27 HA GLN 27 0.965 9.369 -0.421
195 HB2 GLN 27 2HB GLN 27 0.007 6.616 -1.274
196 HB3 GLN 27 3HB GLN 27 -0.928 7.767 -0.342
197 HG2 GLN 27 2HG GLN 27 0.009 8.281 -3.214
198 HG3 GLN 27 3HG GLN 27 -1.532 7.589 -2.767
199 HE21 GLN 27 1HE2 GLN 27 -3.243 8.926 -2.259
200 HE22 GLN 27 2HE2 GLN 27 -3.099 10.647 -2.026
201 H PHE 28 H PHE 28 3.408 7.182 -0.071
202 HA PHE 28 HA PHE 28 2.516 5.291 1.719
203 HB2 PHE 28 2HB PHE 28 4.550 5.220 0.317
204 HB3 PHE 28 3HB PHE 28 5.319 6.403 1.351
205 HD1 PHE 28 HD1 PHE 28 3.327 3.328 2.329
206 HD2 PHE 28 HD2 PHE 28 7.183 5.261 2.214
207 HE1 PHE 28 HE1 PHE 28 4.289 1.505 3.707
208 HE2 PHE 28 HE2 PHE 28 8.127 3.431 3.598
209 HZ PHE 28 HZ PHE 28 6.681 1.578 4.378
210 H ARG 29 H ARG 29 4.051 8.363 2.640
211 HA ARG 29 HA ARG 29 4.483 9.336 4.701
212 HB2 ARG 29 2HB ARG 29 1.592 8.675 4.560
213 HB3 ARG 29 3HB ARG 29 2.194 9.193 6.135
214 HG2 ARG 29 2HG ARG 29 1.381 11.099 4.836
215 HG3 ARG 29 3HG ARG 29 3.098 11.234 5.236
216 HD2 ARG 29 2HD ARG 29 3.550 10.337 2.879
217 HD3 ARG 29 3HD ARG 29 1.829 10.583 2.551
218 HE ARG 29 HE ARG 29 2.576 13.023 3.524
219 HH11 ARG 29 1HH1 ARG 29 4.368 11.031 1.195
220 HH12 ARG 29 2HH1 ARG 29 4.760 12.435 0.229
221 HH21 ARG 29 1HH2 ARG 29 3.499 14.735 2.413
222 HH22 ARG 29 2HH2 ARG 29 4.455 14.414 0.983
223 HA PRO 30 HA PRO 30 5.688 5.317 6.661
224 HB2 PRO 30 2HB PRO 30 8.407 5.913 6.861
225 HB3 PRO 30 3HB PRO 30 7.626 5.124 5.461
226 HG2 PRO 30 2HG PRO 30 8.264 8.062 5.851
227 HG3 PRO 30 3HG PRO 30 8.611 7.033 4.418
228 HD2 PRO 30 2HD PRO 30 6.464 8.633 4.469
229 HD3 PRO 30 3HD PRO 30 6.324 6.985 3.794
230 HA PRO 31 HA PRO 31 7.557 4.322 8.193
231 HB2 PRO 31 2HB PRO 31 7.319 3.031 10.560
232 HB3 PRO 31 3HB PRO 31 8.538 4.305 10.261
233 HG2 PRO 31 2HG PRO 31 5.811 4.625 11.564
234 HG3 PRO 31 3HG PRO 31 7.402 5.158 12.202
235 HD2 PRO 31 2HD PRO 31 5.803 6.882 10.842
236 HD3 PRO 31 3HD PRO 31 7.570 6.893 10.601
237 H SER 32 H SER 32 4.213 4.794 9.384
238 HA SER 32 HA SER 32 3.520 2.072 8.351
239 HB2 SER 32 2HB SER 32 2.384 1.563 10.472
240 HB3 SER 32 3HB SER 32 4.118 1.825 10.664
241 HG SER 32 HG SER 32 1.962 3.442 11.499
242 H SER 33 H SER 33 2.452 5.263 8.135
243 HA SER 33 HA SER 33 -0.370 4.326 7.678
244 HB2 SER 33 2HB SER 33 0.597 6.976 8.752
245 HB3 SER 33 3HB SER 33 -1.070 6.620 8.270
246 HG SER 33 HG SER 33 -0.769 6.338 10.494
247 H CYS 34 H CYS 34 0.039 3.889 5.497
248 HA CYS 34 HA CYS 34 0.417 5.831 3.423
249 HB2 CYS 34 2HB CYS 34 0.254 3.496 2.847
250 HB3 CYS 34 3HB CYS 34 -1.282 3.321 3.714
251 H ILE 35 H ILE 35 -0.876 7.451 2.620
252 HA ILE 35 HA ILE 35 -3.277 8.154 4.181
253 HB ILE 35 HB ILE 35 -3.456 10.168 2.966
254 HG12 ILE 35 2HG1 ILE 35 -0.992 9.440 1.345
255 HG13 ILE 35 3HG1 ILE 35 -2.648 9.348 0.726
256 HG21 ILE 35 1HG2 ILE 35 -1.434 11.237 3.820
257 HG22 ILE 35 2HG2 ILE 35 -1.982 9.984 4.921
258 HG23 ILE 35 3HG2 ILE 35 -0.589 9.673 3.858
259 HD11 ILE 35 1HD1 ILE 35 -1.212 11.861 1.676
260 HD12 ILE 35 2HD1 ILE 35 -1.693 11.456 0.027
261 HD13 ILE 35 3HD1 ILE 35 -2.938 11.785 1.244
262 H THR 36 H THR 36 -2.841 6.081 1.559
263 HA THR 36 HA THR 36 -5.457 6.639 0.293
264 HB THR 36 HB THR 36 -3.488 4.367 -0.171
265 HG1 THR 36 HG1 THR 36 -2.504 5.623 -1.417
266 HG21 THR 36 1HG2 THR 36 -5.822 5.386 -1.833
267 HG22 THR 36 2HG2 THR 36 -4.585 4.232 -2.396
268 HG23 THR 36 3HG2 THR 36 -5.669 3.785 -1.075
269 H VAL 37 H VAL 37 -3.980 4.018 2.249
270 HA VAL 37 HA VAL 37 -6.631 2.675 2.313
271 HB VAL 37 HB VAL 37 -4.716 1.685 1.047
272 HG11 VAL 37 1HG1 VAL 37 -3.623 1.002 3.801
273 HG12 VAL 37 2HG1 VAL 37 -3.027 0.394 2.242
274 HG13 VAL 37 3HG1 VAL 37 -2.890 2.111 2.623
275 HG21 VAL 37 1HG2 VAL 37 -6.652 0.334 1.633
276 HG22 VAL 37 2HG2 VAL 37 -5.162 -0.613 1.674
277 HG23 VAL 37 3HG2 VAL 37 -5.910 -0.093 3.190
278 H GLU 38 H GLU 38 -7.256 1.393 4.124
279 HA GLU 38 HA GLU 38 -7.025 2.485 6.730
280 HB2 GLU 38 2HB GLU 38 -7.564 -0.350 5.779
281 HB3 GLU 38 3HB GLU 38 -7.684 0.131 7.452
282 HG2 GLU 38 2HG GLU 38 -9.428 1.130 5.190
283 HG3 GLU 38 3HG GLU 38 -9.801 0.003 6.508
284 H SER 39 H SER 39 -5.934 1.847 8.570
285 HA SER 39 HA SER 39 -3.160 0.840 8.040
286 HB2 SER 39 2HB SER 39 -2.206 2.871 8.738
287 HB3 SER 39 3HB SER 39 -3.488 3.312 7.627
288 HG SER 39 HG SER 39 -4.583 4.218 9.229
289 HA PRO 40 HA PRO 40 -1.008 1.527 9.705
290 HB2 PRO 40 2HB PRO 40 0.667 -0.235 10.900
291 HB3 PRO 40 3HB PRO 40 -0.066 1.150 11.762
292 HG2 PRO 40 2HG PRO 40 -1.064 -1.719 11.690
293 HG3 PRO 40 3HG PRO 40 -0.740 -0.700 13.132
294 HD2 PRO 40 2HD PRO 40 -3.233 -0.918 12.110
295 HD3 PRO 40 3HD PRO 40 -2.637 0.659 12.704
296 H ILE 41 H ILE 41 0.673 0.578 8.371
297 HA ILE 41 HA ILE 41 0.115 -2.042 7.080
298 HB ILE 41 HB ILE 41 0.540 -0.972 4.851
299 HG12 ILE 41 2HG1 ILE 41 -0.112 1.357 4.494
300 HG13 ILE 41 3HG1 ILE 41 -0.169 1.657 6.227
301 HG21 ILE 41 1HG2 ILE 41 -2.001 -0.078 6.238
302 HG22 ILE 41 2HG2 ILE 41 -1.755 -0.398 4.515
303 HG23 ILE 41 3HG2 ILE 41 -1.670 -1.730 5.672
304 HD11 ILE 41 1HD1 ILE 41 1.897 2.516 5.110
305 HD12 ILE 41 2HD1 ILE 41 2.272 1.337 6.373
306 HD13 ILE 41 3HD1 ILE 41 2.319 0.852 4.663
307 H SER 42 H SER 42 1.844 -2.571 5.426
308 HA SER 42 HA SER 42 4.514 -2.412 6.726
309 HB2 SER 42 2HB SER 42 3.308 -4.350 4.711
310 HB3 SER 42 3HB SER 42 4.946 -4.456 5.341
311 HG SER 42 HG SER 42 3.207 -5.731 6.416
312 H GLU 43 H GLU 43 6.462 -2.543 5.185
313 HA GLU 43 HA GLU 43 6.299 -0.399 3.231
314 HB2 GLU 43 2HB GLU 43 8.636 -0.755 2.884
315 HB3 GLU 43 3HB GLU 43 8.291 -0.721 4.607
316 HG2 GLU 43 2HG GLU 43 8.427 -3.175 4.705
317 HG3 GLU 43 3HG GLU 43 8.773 -3.222 2.990
318 H ASN 44 H ASN 44 5.651 -3.735 3.057
319 HA ASN 44 HA ASN 44 5.335 -3.556 0.109
320 HB2 ASN 44 2HB ASN 44 5.248 -5.963 0.044
321 HB3 ASN 44 3HB ASN 44 6.718 -5.525 0.911
322 HD21 ASN 44 1HD2 ASN 44 6.395 -7.876 1.257
323 HD22 ASN 44 2HD2 ASN 44 5.698 -8.200 2.827
324 H GLY 45 H GLY 45 3.337 -4.704 -0.685
325 HA2 GLY 45 2HA GLY 45 1.118 -5.533 0.393
326 HA3 GLY 45 3HA GLY 45 0.938 -3.830 0.853
327 H TRP 46 H TRP 46 1.612 -2.381 -1.217
328 HA TRP 46 HA TRP 46 1.051 -1.519 -3.216
329 HB2 TRP 46 2HB TRP 46 2.084 -3.587 -4.234
330 HB3 TRP 46 3HB TRP 46 0.512 -4.339 -4.190
331 HD1 TRP 46 HD1 TRP 46 2.103 -1.191 -5.810
332 HE1 TRP 46 HE1 TRP 46 0.975 -0.787 -8.089
333 HE3 TRP 46 HE3 TRP 46 -1.407 -4.909 -5.656
334 HZ2 TRP 46 HZ2 TRP 46 -1.083 -2.006 -9.683
335 HZ3 TRP 46 HZ3 TRP 46 -2.945 -5.261 -7.577
336 HH2 TRP 46 HH2 TRP 46 -2.778 -3.827 -9.599
337 H CYS 47 H CYS 47 -0.786 -0.959 -4.626
338 HA CYS 47 HA CYS 47 -3.365 -2.154 -3.984
339 HB2 CYS 47 2HB CYS 47 -4.458 -0.072 -3.404
340 HB3 CYS 47 3HB CYS 47 -3.111 -0.319 -2.301
341 H ARG 48 H ARG 48 -4.899 -1.831 -5.620
342 HA ARG 48 HA ARG 48 -3.936 -1.210 -8.313
343 HB2 ARG 48 2HB ARG 48 -6.753 -1.559 -7.183
344 HB3 ARG 48 3HB ARG 48 -6.369 -1.339 -8.896
345 HG2 ARG 48 2HG ARG 48 -4.911 -3.379 -8.788
346 HG3 ARG 48 3HG ARG 48 -5.529 -3.696 -7.158
347 HD2 ARG 48 2HD ARG 48 -7.225 -3.414 -9.680
348 HD3 ARG 48 3HD ARG 48 -6.675 -4.945 -9.031
349 HE ARG 48 HE ARG 48 -8.623 -3.076 -7.701
350 HH11 ARG 48 1HH1 ARG 48 -7.271 -6.353 -7.776
351 HH12 ARG 48 2HH1 ARG 48 -8.653 -6.957 -6.863
352 HH21 ARG 48 1HH2 ARG 48 -10.407 -4.074 -6.903
353 HH22 ARG 48 2HH2 ARG 48 -10.348 -5.755 -6.470
354 H LEU 49 H LEU 49 -4.958 0.729 -5.721
355 HA LEU 49 HA LEU 49 -5.797 3.015 -7.344
356 HB2 LEU 49 2HB LEU 49 -6.968 2.246 -5.279
357 HB3 LEU 49 3HB LEU 49 -5.545 2.660 -4.330
358 HG LEU 49 HG LEU 49 -5.891 5.026 -4.720
359 HD11 LEU 49 1HD1 LEU 49 -6.670 5.043 -7.055
360 HD12 LEU 49 2HD1 LEU 49 -8.164 4.206 -6.583
361 HD13 LEU 49 3HD1 LEU 49 -7.841 5.860 -6.019
362 HD21 LEU 49 1HD2 LEU 49 -7.316 3.844 -3.002
363 HD22 LEU 49 2HD2 LEU 49 -8.031 5.338 -3.637
364 HD23 LEU 49 3HD2 LEU 49 -8.612 3.757 -4.201
365 H TYR 50 H TYR 50 -2.785 1.790 -6.686
366 HA TYR 50 HA TYR 50 -1.280 3.953 -5.861
367 HB2 TYR 50 2HB TYR 50 0.589 2.878 -6.486
368 HB3 TYR 50 3HB TYR 50 -0.529 1.579 -6.178
369 HD1 TYR 50 HD1 TYR 50 -1.972 1.058 -8.619
370 HD2 TYR 50 HD2 TYR 50 2.096 2.422 -8.168
371 HE1 TYR 50 HE1 TYR 50 -1.409 0.113 -10.839
372 HE2 TYR 50 HE2 TYR 50 2.661 1.452 -10.379
373 HH TYR 50 HH TYR 50 0.210 -0.215 -12.400
374 H ALA 51 H ALA 51 -0.159 5.612 -6.760
375 HA ALA 51 HA ALA 51 -1.325 6.744 -9.244
376 HB1 ALA 51 1HB ALA 51 0.039 8.032 -6.844
377 HB2 ALA 51 2HB ALA 51 -0.707 8.896 -8.199
378 HB3 ALA 51 3HB ALA 51 -1.715 7.919 -7.115
379 H GLY 52 H GLY 52 -0.087 7.722 -10.837
380 HA2 GLY 52 2HA GLY 52 2.566 6.783 -11.363
381 HA3 GLY 52 3HA GLY 52 1.699 8.042 -12.246
382 H LYS 53 H LYS 53 4.536 8.037 -11.371
383 HA LYS 53 HA LYS 53 4.687 9.870 -9.071
384 HB2 LYS 53 2HB LYS 53 6.724 8.587 -10.889
385 HB3 LYS 53 3HB LYS 53 7.177 9.879 -9.799
386 HG2 LYS 53 2HG LYS 53 7.667 7.723 -8.816
387 HG3 LYS 53 3HG LYS 53 6.531 8.651 -7.846
388 HD2 LYS 53 2HD LYS 53 4.675 7.254 -8.518
389 HD3 LYS 53 3HD LYS 53 5.685 6.393 -9.708
390 HE2 LYS 53 2HE LYS 53 7.129 5.540 -7.900
391 HE3 LYS 53 3HE LYS 53 6.199 6.439 -6.698
392 HZ1 LYS 53 1HZ LYS 53 5.084 4.281 -8.404
393 HZ2 LYS 53 2HZ LYS 53 5.564 4.076 -6.854
394 HZ3 LYS 53 3HZ LYS 53 4.299 5.073 -7.175
395 H ALA 54 H ALA 54 3.616 11.671 -9.556
396 HA ALA 54 HA ALA 54 4.169 13.206 -12.003
397 HB1 ALA 54 1HB ALA 54 2.113 13.661 -9.831
398 HB2 ALA 54 2HB ALA 54 2.257 14.562 -11.350
399 HB3 ALA 54 3HB ALA 54 1.876 12.829 -11.378
Start of MODEL 18
1 H1 VAL 1 1H VAL 1 -13.900 13.152 10.336
2 H2 VAL 1 2H VAL 1 -14.651 13.741 9.000
3 H3 VAL 1 3H VAL 1 -13.205 14.376 9.512
4 HA VAL 1 HA VAL 1 -13.087 12.855 7.532
5 HB VAL 1 HB VAL 1 -11.166 11.508 8.367
6 HG11 VAL 1 1HG1 VAL 1 -10.852 13.777 7.508
7 HG12 VAL 1 2HG1 VAL 1 -11.084 14.448 9.138
8 HG13 VAL 1 3HG1 VAL 1 -9.704 13.396 8.797
9 HG21 VAL 1 1HG2 VAL 1 -11.920 11.144 10.724
10 HG22 VAL 1 2HG2 VAL 1 -10.285 11.802 10.600
11 HG23 VAL 1 3HG2 VAL 1 -11.623 12.865 11.060
12 H THR 2 H THR 2 -12.952 10.543 6.894
13 HA THR 2 HA THR 2 -14.179 8.647 8.823
14 HB THR 2 HB THR 2 -15.842 9.527 7.135
15 HG1 THR 2 HG1 THR 2 -16.771 7.552 7.059
16 HG21 THR 2 1HG2 THR 2 -14.441 9.377 5.078
17 HG22 THR 2 2HG2 THR 2 -14.447 7.601 5.229
18 HG23 THR 2 3HG2 THR 2 -15.963 8.481 4.957
19 H LYS 3 H LYS 3 -13.736 6.386 8.381
20 HA LYS 3 HA LYS 3 -10.975 5.918 7.956
21 HB2 LYS 3 2HB LYS 3 -12.432 4.515 9.374
22 HB3 LYS 3 3HB LYS 3 -13.251 3.908 7.927
23 HG2 LYS 3 2HG LYS 3 -11.073 2.967 7.117
24 HG3 LYS 3 3HG LYS 3 -10.306 3.529 8.618
25 HD2 LYS 3 2HD LYS 3 -11.795 2.092 9.933
26 HD3 LYS 3 3HD LYS 3 -12.675 1.619 8.464
27 HE2 LYS 3 2HE LYS 3 -10.558 0.664 7.541
28 HE3 LYS 3 3HE LYS 3 -9.742 1.045 9.066
29 HZ1 LYS 3 1HZ LYS 3 -11.263 -0.491 10.192
30 HZ2 LYS 3 2HZ LYS 3 -12.118 -0.708 8.810
31 HZ3 LYS 3 3HZ LYS 3 -10.587 -1.276 8.929
32 H LYS 4 H LYS 4 -9.774 5.421 6.340
33 HA LYS 4 HA LYS 4 -10.616 5.913 3.653
34 HB2 LYS 4 2HB LYS 4 -8.004 4.761 4.737
35 HB3 LYS 4 3HB LYS 4 -8.242 5.307 3.073
36 HG2 LYS 4 2HG LYS 4 -9.206 7.421 4.688
37 HG3 LYS 4 3HG LYS 4 -7.714 6.880 5.463
38 HD2 LYS 4 2HD LYS 4 -7.206 8.691 4.010
39 HD3 LYS 4 3HD LYS 4 -6.542 7.233 3.247
40 HE2 LYS 4 2HE LYS 4 -8.352 7.114 1.692
41 HE3 LYS 4 3HE LYS 4 -9.351 8.238 2.618
42 HZ1 LYS 4 1HZ LYS 4 -7.946 10.035 2.005
43 HZ2 LYS 4 2HZ LYS 4 -6.843 9.054 1.273
44 HZ3 LYS 4 3HZ LYS 4 -8.372 9.233 0.635
45 H ALA 5 H ALA 5 -9.911 4.579 1.862
46 HA ALA 5 HA ALA 5 -11.600 2.361 1.518
47 HB1 ALA 5 1HB ALA 5 -9.025 3.019 0.020
48 HB2 ALA 5 2HB ALA 5 -10.311 1.936 -0.551
49 HB3 ALA 5 3HB ALA 5 -10.646 3.665 -0.341
50 H SER 6 H SER 6 -11.509 0.220 1.976
51 HA SER 6 HA SER 6 -9.710 -0.645 3.996
52 HB2 SER 6 2HB SER 6 -10.906 -2.777 3.814
53 HB3 SER 6 3HB SER 6 -12.039 -1.417 3.812
54 HG SER 6 HG SER 6 -12.713 -2.143 1.978
55 H HIS 7 H HIS 7 -8.320 -2.565 4.035
56 HA HIS 7 HA HIS 7 -6.559 -2.855 1.775
57 HB2 HIS 7 2HB HIS 7 -6.975 -4.496 4.276
58 HB3 HIS 7 3HB HIS 7 -5.864 -5.019 3.006
59 HD2 HIS 7 HD2 HIS 7 -5.919 -2.804 5.987
60 HE1 HIS 7 HE1 HIS 7 -2.911 -1.058 3.533
61 HE2 HIS 7 HE2 HIS 7 -3.946 -1.064 5.858
62 H LYS 8 H LYS 8 -9.639 -4.307 2.324
63 HA LYS 8 HA LYS 8 -9.553 -6.428 0.350
64 HB2 LYS 8 2HB LYS 8 -11.950 -4.703 1.105
65 HB3 LYS 8 3HB LYS 8 -11.961 -6.291 0.406
66 HG2 LYS 8 2HG LYS 8 -11.007 -5.602 3.229
67 HG3 LYS 8 3HG LYS 8 -12.590 -6.239 2.797
68 HD2 LYS 8 2HD LYS 8 -11.561 -8.295 1.914
69 HD3 LYS 8 3HD LYS 8 -9.949 -7.672 2.317
70 HE2 LYS 8 2HE LYS 8 -10.393 -7.739 4.679
71 HE3 LYS 8 3HE LYS 8 -12.127 -7.999 4.412
72 HZ1 LYS 8 1HZ LYS 8 -11.682 -10.134 3.502
73 HZ2 LYS 8 2HZ LYS 8 -10.041 -9.953 3.616
74 HZ3 LYS 8 3HZ LYS 8 -11.000 -10.081 4.965
75 H ASP 9 H ASP 9 -10.803 -3.144 0.205
76 HA ASP 9 HA ASP 9 -11.299 -3.026 -2.596
77 HB2 ASP 9 2HB ASP 9 -12.122 -1.632 -0.473
78 HB3 ASP 9 3HB ASP 9 -10.829 -0.548 -0.966
79 H ALA 10 H ALA 10 -8.521 -1.996 -0.671
80 HA ALA 10 HA ALA 10 -7.040 -0.481 -2.496
81 HB1 ALA 10 1HB ALA 10 -6.111 -2.427 -0.336
82 HB2 ALA 10 2HB ALA 10 -5.127 -1.144 -1.044
83 HB3 ALA 10 3HB ALA 10 -6.567 -0.730 -0.078
84 H GLY 11 H GLY 11 -7.313 -4.002 -2.269
85 HA2 GLY 11 2HA GLY 11 -6.436 -5.682 -3.673
86 HA3 GLY 11 3HA GLY 11 -5.578 -4.467 -4.623
87 H TYR 12 H TYR 12 -5.142 -4.379 -1.148
88 HA TYR 12 HA TYR 12 -2.332 -4.771 -1.178
89 HB2 TYR 12 2HB TYR 12 -3.176 -3.680 0.715
90 HB3 TYR 12 3HB TYR 12 -4.484 -4.837 0.937
91 HD1 TYR 12 HD1 TYR 12 -0.795 -4.405 1.310
92 HD2 TYR 12 HD2 TYR 12 -4.235 -6.831 2.239
93 HE1 TYR 12 HE1 TYR 12 0.629 -5.904 2.730
94 HE2 TYR 12 HE2 TYR 12 -2.818 -8.325 3.625
95 HH TYR 12 HH TYR 12 -0.689 -8.891 4.198
96 H GLN 13 H GLN 13 -1.020 -6.534 -0.578
97 HA GLN 13 HA GLN 13 -2.170 -9.252 -0.611
98 HB2 GLN 13 2HB GLN 13 -0.644 -9.749 -2.634
99 HB3 GLN 13 3HB GLN 13 -2.201 -9.003 -2.886
100 HG2 GLN 13 2HG GLN 13 -1.109 -6.769 -3.164
101 HG3 GLN 13 3HG GLN 13 0.462 -7.514 -2.903
102 HE21 GLN 13 1HE2 GLN 13 1.301 -6.913 -4.810
103 HE22 GLN 13 2HE2 GLN 13 0.843 -7.796 -6.247
104 H GLU 14 H GLU 14 -0.595 -10.963 -0.577
105 HA GLU 14 HA GLU 14 1.299 -10.537 1.576
106 HB2 GLU 14 2HB GLU 14 1.571 -12.915 1.554
107 HB3 GLU 14 3HB GLU 14 -0.131 -12.466 1.550
108 HG2 GLU 14 2HG GLU 14 1.226 -13.051 -1.077
109 HG3 GLU 14 3HG GLU 14 0.821 -14.390 -0.011
110 H SER 15 H SER 15 1.674 -10.331 -1.807
111 HA SER 15 HA SER 15 4.589 -10.181 -1.470
112 HB2 SER 15 2HB SER 15 4.834 -11.489 -3.713
113 HB3 SER 15 3HB SER 15 4.715 -12.341 -2.190
114 HG SER 15 HG SER 15 3.383 -13.175 -3.919
115 HA PRO 16 HA PRO 16 4.545 -6.667 -4.105
116 HB2 PRO 16 2HB PRO 16 6.696 -8.082 -5.678
117 HB3 PRO 16 3HB PRO 16 6.625 -6.377 -5.124
118 HG2 PRO 16 2HG PRO 16 8.087 -8.192 -3.739
119 HG3 PRO 16 3HG PRO 16 7.054 -7.014 -2.860
120 HD2 PRO 16 2HD PRO 16 6.479 -9.927 -3.472
121 HD3 PRO 16 3HD PRO 16 6.180 -8.991 -1.988
122 H ASN 17 H ASN 17 3.773 -5.865 -6.090
123 HA ASN 17 HA ASN 17 2.541 -7.799 -7.958
124 HB2 ASN 17 2HB ASN 17 1.203 -5.828 -7.235
125 HB3 ASN 17 3HB ASN 17 2.434 -4.765 -7.875
126 HD21 ASN 17 1HD2 ASN 17 0.758 -3.879 -9.332
127 HD22 ASN 17 2HD2 ASN 17 0.399 -4.813 -10.796
128 H GLY 18 H GLY 18 4.833 -8.568 -8.263
129 HA2 GLY 18 2HA GLY 18 6.728 -8.822 -9.506
130 HA3 GLY 18 3HA GLY 18 6.004 -7.792 -10.753
131 H ALA 19 H ALA 19 7.131 -5.989 -11.135
132 HA ALA 19 HA ALA 19 9.269 -5.080 -9.415
133 HB1 ALA 19 1HB ALA 19 8.019 -3.732 -11.843
134 HB2 ALA 19 2HB ALA 19 9.602 -3.386 -11.137
135 HB3 ALA 19 3HB ALA 19 9.313 -4.958 -11.898
136 H LYS 20 H LYS 20 5.917 -4.475 -9.113
137 HA LYS 20 HA LYS 20 6.350 -1.767 -7.955
138 HB2 LYS 20 2HB LYS 20 3.763 -2.997 -8.973
139 HB3 LYS 20 3HB LYS 20 4.002 -1.367 -8.353
140 HG2 LYS 20 2HG LYS 20 4.215 -0.830 -10.531
141 HG3 LYS 20 3HG LYS 20 5.892 -1.304 -10.279
142 HD2 LYS 20 2HD LYS 20 5.223 -3.638 -11.106
143 HD3 LYS 20 3HD LYS 20 3.646 -2.966 -11.526
144 HE2 LYS 20 2HE LYS 20 6.288 -1.832 -12.534
145 HE3 LYS 20 3HE LYS 20 5.448 -3.134 -13.371
146 HZ1 LYS 20 1HZ LYS 20 4.125 -0.523 -12.842
147 HZ2 LYS 20 2HZ LYS 20 4.969 -0.858 -14.210
148 HZ3 LYS 20 3HZ LYS 20 3.661 -1.739 -13.881
149 H ARG 21 H ARG 21 6.271 -1.444 -5.933
150 HA ARG 21 HA ARG 21 4.363 -2.803 -4.108
151 HB2 ARG 21 2HB ARG 21 5.917 -3.877 -2.945
152 HB3 ARG 21 3HB ARG 21 7.069 -3.518 -4.201
153 HG2 ARG 21 2HG ARG 21 7.722 -1.416 -2.942
154 HG3 ARG 21 3HG ARG 21 6.652 -1.946 -1.623
155 HD2 ARG 21 2HD ARG 21 7.985 -4.184 -1.755
156 HD3 ARG 21 3HD ARG 21 9.197 -3.214 -2.609
157 HE ARG 21 HE ARG 21 8.290 -1.962 -0.127
158 HH11 ARG 21 1HH1 ARG 21 10.278 -4.632 -1.198
159 HH12 ARG 21 2HH1 ARG 21 11.119 -4.735 0.320
160 HH21 ARG 21 1HH2 ARG 21 9.708 -1.870 1.637
161 HH22 ARG 21 2HH2 ARG 21 10.749 -3.268 1.873
162 H CYS 22 H CYS 22 4.384 -1.487 -1.906
163 HA CYS 22 HA CYS 22 4.459 1.417 -2.359
164 HB2 CYS 22 2HB CYS 22 4.113 -0.158 0.224
165 HB3 CYS 22 3HB CYS 22 3.978 1.608 0.049
166 H GLY 23 H GLY 23 6.045 0.439 0.547
167 HA2 GLY 23 2HA GLY 23 8.003 1.074 1.484
168 HA3 GLY 23 3HA GLY 23 8.774 0.818 -0.075
169 H THR 24 H THR 24 7.763 2.815 -1.643
170 HA THR 24 HA THR 24 7.348 5.297 -0.194
171 HB THR 24 HB THR 24 9.771 5.386 -0.616
172 HG1 THR 24 HG1 THR 24 9.593 7.474 -1.611
173 HG21 THR 24 1HG2 THR 24 10.619 5.795 -2.826
174 HG22 THR 24 2HG2 THR 24 9.760 4.246 -2.836
175 HG23 THR 24 3HG2 THR 24 8.987 5.697 -3.527
176 H CYS 25 H CYS 25 6.273 6.900 -1.437
177 HA CYS 25 HA CYS 25 4.871 6.085 -3.926
178 HB2 CYS 25 2HB CYS 25 3.709 4.917 -2.073
179 HB3 CYS 25 3HB CYS 25 3.591 6.406 -1.160
180 H ARG 26 H ARG 26 2.800 7.938 -3.607
181 HA ARG 26 HA ARG 26 3.919 10.666 -3.741
182 HB2 ARG 26 2HB ARG 26 1.821 10.212 -4.904
183 HB3 ARG 26 3HB ARG 26 1.062 9.625 -3.419
184 HG2 ARG 26 2HG ARG 26 1.187 11.849 -2.412
185 HG3 ARG 26 3HG ARG 26 2.113 12.469 -3.778
186 HD2 ARG 26 2HD ARG 26 -0.722 11.394 -4.001
187 HD3 ARG 26 3HD ARG 26 -0.320 13.096 -3.712
188 HE ARG 26 HE ARG 26 1.072 12.834 -5.919
189 HH11 ARG 26 1HH1 ARG 26 -2.274 11.808 -5.347
190 HH12 ARG 26 2HH1 ARG 26 -2.586 11.870 -7.086
191 HH21 ARG 26 1HH2 ARG 26 0.490 12.761 -8.116
192 HH22 ARG 26 2HH2 ARG 26 -1.176 12.322 -8.482
193 H GLN 27 H GLN 27 2.147 8.685 -1.292
194 HA GLN 27 HA GLN 27 4.042 9.622 0.704
195 HB2 GLN 27 2HB GLN 27 1.104 10.268 1.071
196 HB3 GLN 27 3HB GLN 27 2.251 10.219 2.397
197 HG2 GLN 27 2HG GLN 27 2.256 12.226 0.114
198 HG3 GLN 27 3HG GLN 27 1.648 12.469 1.726
199 HE21 GLN 27 1HE2 GLN 27 3.185 14.356 1.303
200 HE22 GLN 27 2HE2 GLN 27 4.798 14.150 1.975
201 H PHE 28 H PHE 28 4.662 7.576 1.219
202 HA PHE 28 HA PHE 28 2.667 5.581 2.140
203 HB2 PHE 28 2HB PHE 28 4.621 4.835 0.872
204 HB3 PHE 28 3HB PHE 28 5.705 5.580 2.044
205 HD1 PHE 28 HD1 PHE 28 2.903 3.049 1.866
206 HD2 PHE 28 HD2 PHE 28 6.590 4.240 3.764
207 HE1 PHE 28 HE1 PHE 28 2.857 0.992 3.256
208 HE2 PHE 28 HE2 PHE 28 6.518 2.201 5.178
209 HZ PHE 28 HZ PHE 28 4.625 0.613 4.973
210 H ARG 29 H ARG 29 4.570 8.163 3.446
211 HA ARG 29 HA ARG 29 5.120 8.886 5.547
212 HB2 ARG 29 2HB ARG 29 2.647 9.456 5.123
213 HB3 ARG 29 3HB ARG 29 2.285 8.147 6.244
214 HG2 ARG 29 2HG ARG 29 2.265 9.964 7.673
215 HG3 ARG 29 3HG ARG 29 3.901 9.354 7.880
216 HD2 ARG 29 2HD ARG 29 4.262 11.608 7.692
217 HD3 ARG 29 3HD ARG 29 4.559 11.085 6.027
218 HE ARG 29 HE ARG 29 2.002 11.727 5.740
219 HH11 ARG 29 1HH1 ARG 29 4.336 13.677 7.543
220 HH12 ARG 29 2HH1 ARG 29 3.181 15.017 7.583
221 HH21 ARG 29 1HH2 ARG 29 0.767 13.443 5.824
222 HH22 ARG 29 2HH2 ARG 29 1.336 14.927 6.635
223 HA PRO 30 HA PRO 30 5.821 4.502 6.898
224 HB2 PRO 30 2HB PRO 30 8.538 4.738 7.497
225 HB3 PRO 30 3HB PRO 30 7.855 4.323 5.897
226 HG2 PRO 30 2HG PRO 30 8.712 7.046 6.917
227 HG3 PRO 30 3HG PRO 30 9.098 6.278 5.340
228 HD2 PRO 30 2HD PRO 30 7.116 8.079 5.541
229 HD3 PRO 30 3HD PRO 30 6.885 6.615 4.539
230 HA PRO 31 HA PRO 31 7.140 2.944 8.437
231 HB2 PRO 31 2HB PRO 31 6.171 1.300 10.367
232 HB3 PRO 31 3HB PRO 31 7.618 2.326 10.600
233 HG2 PRO 31 2HG PRO 31 4.755 2.930 11.430
234 HG3 PRO 31 3HG PRO 31 6.235 3.006 12.440
235 HD2 PRO 31 2HD PRO 31 5.232 5.231 11.239
236 HD3 PRO 31 3HD PRO 31 6.996 4.955 11.348
237 H SER 32 H SER 32 3.731 3.825 9.138
238 HA SER 32 HA SER 32 2.803 1.841 7.160
239 HB2 SER 32 2HB SER 32 1.462 0.629 8.960
240 HB3 SER 32 3HB SER 32 3.195 0.380 8.954
241 HG SER 32 HG SER 32 1.697 2.003 10.730
242 H SER 33 H SER 33 2.263 4.601 6.878
243 HA SER 33 HA SER 33 -0.716 4.514 7.152
244 HB2 SER 33 2HB SER 33 1.007 6.843 8.035
245 HB3 SER 33 3HB SER 33 -0.755 6.871 7.870
246 HG SER 33 HG SER 33 0.835 5.428 9.714
247 H CYS 34 H CYS 34 -0.825 4.089 4.938
248 HA CYS 34 HA CYS 34 0.182 5.946 2.895
249 HB2 CYS 34 2HB CYS 34 -0.102 3.743 2.128
250 HB3 CYS 34 3HB CYS 34 -1.642 3.531 2.961
251 H ILE 35 H ILE 35 -0.960 7.459 1.734
252 HA ILE 35 HA ILE 35 -3.185 8.842 3.051
253 HB ILE 35 HB ILE 35 -3.096 10.336 1.070
254 HG12 ILE 35 2HG1 ILE 35 -0.602 8.786 0.256
255 HG13 ILE 35 3HG1 ILE 35 -2.173 8.595 -0.519
256 HG21 ILE 35 1HG2 ILE 35 -0.528 9.911 2.634
257 HG22 ILE 35 2HG2 ILE 35 -1.018 11.416 1.806
258 HG23 ILE 35 3HG2 ILE 35 -1.963 10.805 3.169
259 HD11 ILE 35 1HD1 ILE 35 -0.542 11.145 -0.411
260 HD12 ILE 35 2HD1 ILE 35 -0.885 10.131 -1.826
261 HD13 ILE 35 3HD1 ILE 35 -2.203 11.025 -1.036
262 H THR 36 H THR 36 -3.091 6.273 0.782
263 HA THR 36 HA THR 36 -5.662 7.041 -0.506
264 HB THR 36 HB THR 36 -3.656 4.863 -1.168
265 HG1 THR 36 HG1 THR 36 -2.691 6.311 -2.226
266 HG21 THR 36 1HG2 THR 36 -4.699 4.812 -3.374
267 HG22 THR 36 2HG2 THR 36 -5.892 4.368 -2.147
268 HG23 THR 36 3HG2 THR 36 -5.920 5.999 -2.863
269 H VAL 37 H VAL 37 -4.340 4.572 1.661
270 HA VAL 37 HA VAL 37 -7.002 3.211 1.775
271 HB VAL 37 HB VAL 37 -5.962 1.074 1.749
272 HG11 VAL 37 1HG1 VAL 37 -4.741 2.749 -0.491
273 HG12 VAL 37 2HG1 VAL 37 -4.998 1.021 -0.508
274 HG13 VAL 37 3HG1 VAL 37 -6.406 2.103 -0.458
275 HG21 VAL 37 1HG2 VAL 37 -3.845 1.546 2.940
276 HG22 VAL 37 2HG2 VAL 37 -3.582 0.692 1.416
277 HG23 VAL 37 3HG2 VAL 37 -3.249 2.427 1.512
278 H GLU 38 H GLU 38 -7.259 1.709 3.654
279 HA GLU 38 HA GLU 38 -7.055 3.125 6.086
280 HB2 GLU 38 2HB GLU 38 -8.005 1.253 7.146
281 HB3 GLU 38 3HB GLU 38 -8.702 1.278 5.530
282 HG2 GLU 38 2HG GLU 38 -7.262 -0.532 4.813
283 HG3 GLU 38 3HG GLU 38 -6.353 -0.437 6.327
284 H SER 39 H SER 39 -5.919 2.720 8.067
285 HA SER 39 HA SER 39 -3.208 1.529 7.675
286 HB2 SER 39 2HB SER 39 -2.373 3.020 9.417
287 HB3 SER 39 3HB SER 39 -2.979 3.871 7.996
288 HG SER 39 HG SER 39 -3.585 4.791 10.019
289 HA PRO 40 HA PRO 40 -1.392 1.052 9.334
290 HB2 PRO 40 2HB PRO 40 -0.225 -1.314 9.985
291 HB3 PRO 40 3HB PRO 40 -0.738 -0.123 11.212
292 HG2 PRO 40 2HG PRO 40 -2.265 -2.565 10.254
293 HG3 PRO 40 3HG PRO 40 -1.901 -2.080 11.943
294 HD2 PRO 40 2HD PRO 40 -4.279 -1.475 10.745
295 HD3 PRO 40 3HD PRO 40 -3.497 -0.344 11.888
296 H ILE 41 H ILE 41 0.170 0.136 7.813
297 HA ILE 41 HA ILE 41 -0.742 -1.934 5.919
298 HB ILE 41 HB ILE 41 -1.443 0.114 4.866
299 HG12 ILE 41 2HG1 ILE 41 1.090 -0.884 3.509
300 HG13 ILE 41 3HG1 ILE 41 -0.465 -1.721 3.491
301 HG21 ILE 41 1HG2 ILE 41 -0.066 1.774 5.964
302 HG22 ILE 41 2HG2 ILE 41 1.405 1.151 5.176
303 HG23 ILE 41 3HG2 ILE 41 0.123 1.931 4.234
304 HD11 ILE 41 1HD1 ILE 41 -1.442 0.325 2.353
305 HD12 ILE 41 2HD1 ILE 41 0.216 0.953 2.204
306 HD13 ILE 41 3HD1 ILE 41 -0.229 -0.563 1.412
307 H SER 42 H SER 42 0.886 -3.239 5.159
308 HA SER 42 HA SER 42 3.534 -3.073 6.381
309 HB2 SER 42 2HB SER 42 2.353 -5.030 4.388
310 HB3 SER 42 3HB SER 42 3.947 -5.187 5.152
311 HG SER 42 HG SER 42 2.973 -5.293 7.161
312 H GLU 43 H GLU 43 5.601 -2.898 5.224
313 HA GLU 43 HA GLU 43 5.394 -0.828 3.241
314 HB2 GLU 43 2HB GLU 43 7.796 -0.653 3.425
315 HB3 GLU 43 3HB GLU 43 7.026 -0.696 4.995
316 HG2 GLU 43 2HG GLU 43 7.612 -3.120 5.203
317 HG3 GLU 43 3HG GLU 43 8.450 -3.004 3.669
318 H ASN 44 H ASN 44 5.277 -4.100 2.661
319 HA ASN 44 HA ASN 44 6.232 -3.844 -0.127
320 HB2 ASN 44 2HB ASN 44 5.205 -6.170 -0.334
321 HB3 ASN 44 3HB ASN 44 6.629 -5.975 0.683
322 HD21 ASN 44 1HD2 ASN 44 6.255 -7.897 1.684
323 HD22 ASN 44 2HD2 ASN 44 5.226 -7.843 3.111
324 H GLY 45 H GLY 45 3.096 -4.121 1.589
325 HA2 GLY 45 2HA GLY 45 1.055 -3.134 1.155
326 HA3 GLY 45 3HA GLY 45 2.042 -1.842 0.506
327 H TRP 46 H TRP 46 1.681 -1.269 -1.435
328 HA TRP 46 HA TRP 46 1.112 -0.986 -3.532
329 HB2 TRP 46 2HB TRP 46 2.157 -3.136 -4.108
330 HB3 TRP 46 3HB TRP 46 0.614 -3.938 -3.803
331 HD1 TRP 46 HD1 TRP 46 2.359 -1.759 -6.387
332 HE1 TRP 46 HE1 TRP 46 0.948 -1.666 -8.533
333 HE3 TRP 46 HE3 TRP 46 -1.787 -4.251 -4.717
334 HZ2 TRP 46 HZ2 TRP 46 -1.649 -2.556 -9.410
335 HZ3 TRP 46 HZ3 TRP 46 -3.771 -4.500 -6.202
336 HH2 TRP 46 HH2 TRP 46 -3.704 -3.693 -8.549
337 H CYS 47 H CYS 47 -0.591 -0.140 -4.476
338 HA CYS 47 HA CYS 47 -3.292 -1.193 -3.883
339 HB2 CYS 47 2HB CYS 47 -4.195 1.031 -3.751
340 HB3 CYS 47 3HB CYS 47 -2.831 0.959 -2.648
341 H ARG 48 H ARG 48 -4.830 -0.820 -5.457
342 HA ARG 48 HA ARG 48 -4.198 -1.133 -8.212
343 HB2 ARG 48 2HB ARG 48 -6.770 -0.450 -6.739
344 HB3 ARG 48 3HB ARG 48 -6.729 -0.850 -8.458
345 HG2 ARG 48 2HG ARG 48 -6.046 -3.071 -8.093
346 HG3 ARG 48 3HG ARG 48 -5.570 -2.772 -6.419
347 HD2 ARG 48 2HD ARG 48 -7.904 -2.403 -5.774
348 HD3 ARG 48 3HD ARG 48 -8.432 -2.676 -7.448
349 HE ARG 48 HE ARG 48 -7.065 -4.959 -7.000
350 HH11 ARG 48 1HH1 ARG 48 -9.319 -3.531 -4.684
351 HH12 ARG 48 2HH1 ARG 48 -9.747 -5.127 -4.089
352 HH21 ARG 48 1HH2 ARG 48 -7.802 -6.868 -6.274
353 HH22 ARG 48 2HH2 ARG 48 -8.977 -6.900 -4.967
354 H LEU 49 H LEU 49 -2.941 1.292 -7.332
355 HA LEU 49 HA LEU 49 -2.500 3.404 -7.988
356 HB2 LEU 49 2HB LEU 49 -2.031 1.837 -9.913
357 HB3 LEU 49 3HB LEU 49 -3.523 2.395 -10.653
358 HG LEU 49 HG LEU 49 -2.548 4.707 -10.812
359 HD11 LEU 49 1HD1 LEU 49 -0.026 3.378 -9.741
360 HD12 LEU 49 2HD1 LEU 49 -0.113 4.992 -10.476
361 HD13 LEU 49 3HD1 LEU 49 -0.949 4.682 -8.954
362 HD21 LEU 49 1HD2 LEU 49 -2.351 3.100 -12.667
363 HD22 LEU 49 2HD2 LEU 49 -0.953 4.181 -12.582
364 HD23 LEU 49 3HD2 LEU 49 -0.813 2.510 -11.993
365 H TYR 50 H TYR 50 -5.163 3.261 -6.814
366 HA TYR 50 HA TYR 50 -7.081 4.782 -8.206
367 HB2 TYR 50 2HB TYR 50 -6.483 4.723 -5.222
368 HB3 TYR 50 3HB TYR 50 -7.921 5.434 -5.937
369 HD1 TYR 50 HD1 TYR 50 -9.185 3.783 -7.698
370 HD2 TYR 50 HD2 TYR 50 -6.796 2.573 -4.304
371 HE1 TYR 50 HE1 TYR 50 -10.415 1.630 -7.596
372 HE2 TYR 50 HE2 TYR 50 -8.078 0.439 -4.186
373 HH TYR 50 HH TYR 50 -9.781 -0.795 -5.034
374 H ALA 51 H ALA 51 -4.430 5.935 -6.147
375 HA ALA 51 HA ALA 51 -4.563 8.603 -7.470
376 HB1 ALA 51 1HB ALA 51 -3.122 7.748 -4.922
377 HB2 ALA 51 2HB ALA 51 -3.079 9.362 -5.657
378 HB3 ALA 51 3HB ALA 51 -4.604 8.726 -5.009
379 H GLY 52 H GLY 52 -2.932 9.127 -8.845
380 HA2 GLY 52 2HA GLY 52 -0.849 7.330 -9.644
381 HA3 GLY 52 3HA GLY 52 -1.032 9.016 -10.121
382 H LYS 53 H LYS 53 1.491 7.859 -9.465
383 HA LYS 53 HA LYS 53 2.134 9.043 -6.787
384 HB2 LYS 53 2HB LYS 53 3.357 6.690 -8.259
385 HB3 LYS 53 3HB LYS 53 4.191 7.532 -6.952
386 HG2 LYS 53 2HG LYS 53 3.161 5.792 -5.839
387 HG3 LYS 53 3HG LYS 53 2.146 7.190 -5.503
388 HD2 LYS 53 2HD LYS 53 0.545 6.392 -7.270
389 HD3 LYS 53 3HD LYS 53 1.558 4.954 -7.489
390 HE2 LYS 53 2HE LYS 53 1.242 4.407 -5.086
391 HE3 LYS 53 3HE LYS 53 0.273 5.859 -4.859
392 HZ1 LYS 53 1HZ LYS 53 -1.312 4.950 -6.479
393 HZ2 LYS 53 2HZ LYS 53 -0.435 3.539 -6.571
394 HZ3 LYS 53 3HZ LYS 53 -1.160 3.935 -5.174
395 H ALA 54 H ALA 54 2.099 10.140 -9.660
396 HA ALA 54 HA ALA 54 4.705 11.552 -9.637
397 HB1 ALA 54 1HB ALA 54 2.352 11.754 -11.536
398 HB2 ALA 54 2HB ALA 54 3.882 12.643 -11.690
399 HB3 ALA 54 3HB ALA 54 3.865 10.874 -11.797
Start of MODEL 19
1 H1 VAL 1 1H VAL 1 -8.582 13.336 8.908
2 H2 VAL 1 2H VAL 1 -8.961 11.972 8.061
3 H3 VAL 1 3H VAL 1 -8.354 11.870 9.596
4 HA VAL 1 HA VAL 1 -10.272 12.999 10.491
5 HB VAL 1 HB VAL 1 -11.437 12.707 7.697
6 HG11 VAL 1 1HG1 VAL 1 -12.637 13.660 10.322
7 HG12 VAL 1 2HG1 VAL 1 -13.383 13.910 8.736
8 HG13 VAL 1 3HG1 VAL 1 -13.174 12.274 9.346
9 HG21 VAL 1 1HG2 VAL 1 -9.953 14.689 7.867
10 HG22 VAL 1 2HG2 VAL 1 -11.644 15.165 7.783
11 HG23 VAL 1 3HG2 VAL 1 -10.803 15.197 9.346
12 H THR 2 H THR 2 -10.497 10.365 8.034
13 HA THR 2 HA THR 2 -11.532 8.500 10.086
14 HB THR 2 HB THR 2 -13.363 9.779 8.973
15 HG1 THR 2 HG1 THR 2 -14.592 8.141 9.096
16 HG21 THR 2 1HG2 THR 2 -12.646 8.207 6.482
17 HG22 THR 2 2HG2 THR 2 -14.076 9.231 6.717
18 HG23 THR 2 3HG2 THR 2 -12.466 9.963 6.678
19 H LYS 3 H LYS 3 -11.584 6.215 9.244
20 HA LYS 3 HA LYS 3 -9.084 5.583 7.964
21 HB2 LYS 3 2HB LYS 3 -10.299 4.393 9.860
22 HB3 LYS 3 3HB LYS 3 -11.325 3.642 8.637
23 HG2 LYS 3 2HG LYS 3 -9.482 2.414 7.714
24 HG3 LYS 3 3HG LYS 3 -8.293 3.492 8.461
25 HD2 LYS 3 2HD LYS 3 -8.259 1.448 9.707
26 HD3 LYS 3 3HD LYS 3 -8.946 2.724 10.701
27 HE2 LYS 3 2HE LYS 3 -10.277 0.853 11.147
28 HE3 LYS 3 3HE LYS 3 -11.274 1.836 10.071
29 HZ1 LYS 3 1HZ LYS 3 -10.733 0.320 8.264
30 HZ2 LYS 3 2HZ LYS 3 -9.607 -0.467 9.202
31 HZ3 LYS 3 3HZ LYS 3 -11.183 -0.579 9.556
32 H LYS 4 H LYS 4 -8.583 4.657 6.008
33 HA LYS 4 HA LYS 4 -10.535 4.903 3.805
34 HB2 LYS 4 2HB LYS 4 -7.574 4.213 3.822
35 HB3 LYS 4 3HB LYS 4 -8.567 4.432 2.375
36 HG2 LYS 4 2HG LYS 4 -9.230 6.738 3.611
37 HG3 LYS 4 3HG LYS 4 -7.669 6.489 4.365
38 HD2 LYS 4 2HD LYS 4 -7.396 7.941 2.485
39 HD3 LYS 4 3HD LYS 4 -6.623 6.389 2.108
40 HE2 LYS 4 2HE LYS 4 -8.411 5.727 0.682
41 HE3 LYS 4 3HE LYS 4 -9.494 6.980 1.291
42 HZ1 LYS 4 1HZ LYS 4 -8.522 7.487 -0.931
43 HZ2 LYS 4 2HZ LYS 4 -8.238 8.653 0.181
44 HZ3 LYS 4 3HZ LYS 4 -7.028 7.641 -0.218
45 H ALA 5 H ALA 5 -10.291 3.224 2.016
46 HA ALA 5 HA ALA 5 -11.887 1.124 2.812
47 HB1 ALA 5 1HB ALA 5 -11.632 0.205 0.589
48 HB2 ALA 5 2HB ALA 5 -11.736 1.984 0.516
49 HB3 ALA 5 3HB ALA 5 -10.163 1.177 0.319
50 H SER 6 H SER 6 -11.732 -0.999 3.347
51 HA SER 6 HA SER 6 -9.286 -1.812 4.552
52 HB2 SER 6 2HB SER 6 -10.415 -3.691 5.400
53 HB3 SER 6 3HB SER 6 -11.545 -2.332 5.445
54 HG SER 6 HG SER 6 -12.583 -4.111 4.703
55 H HIS 7 H HIS 7 -8.108 -3.811 4.242
56 HA HIS 7 HA HIS 7 -7.440 -4.281 1.440
57 HB2 HIS 7 2HB HIS 7 -6.475 -5.438 4.055
58 HB3 HIS 7 3HB HIS 7 -6.015 -6.168 2.528
59 HD2 HIS 7 HD2 HIS 7 -6.248 -2.321 2.587
60 HE1 HIS 7 HE1 HIS 7 -2.121 -3.331 2.411
61 HE2 HIS 7 HE2 HIS 7 -3.802 -1.427 2.280
62 H LYS 8 H LYS 8 -9.846 -5.670 3.447
63 HA LYS 8 HA LYS 8 -10.430 -7.996 1.733
64 HB2 LYS 8 2HB LYS 8 -12.129 -6.397 3.707
65 HB3 LYS 8 3HB LYS 8 -12.703 -7.814 2.845
66 HG2 LYS 8 2HG LYS 8 -10.315 -7.815 4.714
67 HG3 LYS 8 3HG LYS 8 -11.981 -8.156 5.197
68 HD2 LYS 8 2HD LYS 8 -12.049 -10.018 3.491
69 HD3 LYS 8 3HD LYS 8 -10.324 -9.775 3.189
70 HE2 LYS 8 2HE LYS 8 -11.564 -10.500 5.882
71 HE3 LYS 8 3HE LYS 8 -10.886 -11.665 4.745
72 HZ1 LYS 8 1HZ LYS 8 -9.362 -9.501 6.086
73 HZ2 LYS 8 2HZ LYS 8 -9.274 -11.097 6.424
74 HZ3 LYS 8 3HZ LYS 8 -8.720 -10.545 4.987
75 H ASP 9 H ASP 9 -11.982 -4.838 2.224
76 HA ASP 9 HA ASP 9 -13.747 -4.894 0.071
77 HB2 ASP 9 2HB ASP 9 -13.517 -3.137 1.948
78 HB3 ASP 9 3HB ASP 9 -12.330 -2.371 0.926
79 H ALA 10 H ALA 10 -10.443 -3.665 0.035
80 HA ALA 10 HA ALA 10 -10.433 -3.107 -2.832
81 HB1 ALA 10 1HB ALA 10 -8.164 -3.026 -0.810
82 HB2 ALA 10 2HB ALA 10 -8.241 -2.231 -2.401
83 HB3 ALA 10 3HB ALA 10 -9.313 -1.699 -1.096
84 H GLY 11 H GLY 11 -10.158 -6.050 -1.306
85 HA2 GLY 11 2HA GLY 11 -9.359 -8.101 -1.930
86 HA3 GLY 11 3HA GLY 11 -9.436 -7.474 -3.580
87 H TYR 12 H TYR 12 -7.240 -6.585 -0.873
88 HA TYR 12 HA TYR 12 -5.073 -5.914 -2.358
89 HB2 TYR 12 2HB TYR 12 -5.077 -5.407 -0.052
90 HB3 TYR 12 3HB TYR 12 -5.193 -7.103 0.406
91 HD1 TYR 12 HD1 TYR 12 -2.803 -5.118 -1.784
92 HD2 TYR 12 HD2 TYR 12 -3.292 -7.843 1.526
93 HE1 TYR 12 HE1 TYR 12 -0.357 -5.499 -1.735
94 HE2 TYR 12 HE2 TYR 12 -0.824 -8.136 1.641
95 HH TYR 12 HH TYR 12 1.380 -6.524 -0.692
96 H GLN 13 H GLN 13 -3.460 -6.737 -3.492
97 HA GLN 13 HA GLN 13 -3.527 -9.456 -4.357
98 HB2 GLN 13 2HB GLN 13 -1.713 -8.815 -5.833
99 HB3 GLN 13 3HB GLN 13 -2.983 -7.611 -5.812
100 HG2 GLN 13 2HG GLN 13 -1.487 -6.217 -4.208
101 HG3 GLN 13 3HG GLN 13 -0.206 -7.387 -4.583
102 HE21 GLN 13 1HE2 GLN 13 1.249 -6.273 -5.761
103 HE22 GLN 13 2HE2 GLN 13 0.748 -5.454 -7.218
104 H GLU 14 H GLU 14 -1.889 -11.087 -4.338
105 HA GLU 14 HA GLU 14 -0.594 -11.497 -1.805
106 HB2 GLU 14 2HB GLU 14 0.081 -13.603 -2.728
107 HB3 GLU 14 3HB GLU 14 -1.560 -13.254 -3.260
108 HG2 GLU 14 2HG GLU 14 -0.402 -12.308 -5.429
109 HG3 GLU 14 3HG GLU 14 1.013 -13.187 -4.872
110 H SER 15 H SER 15 0.436 -9.511 -4.234
111 HA SER 15 HA SER 15 3.268 -10.348 -4.219
112 HB2 SER 15 2HB SER 15 2.997 -9.595 -6.714
113 HB3 SER 15 3HB SER 15 2.334 -11.129 -6.167
114 HG SER 15 HG SER 15 0.909 -9.542 -7.451
115 HA PRO 16 HA PRO 16 4.486 -5.970 -4.893
116 HB2 PRO 16 2HB PRO 16 6.949 -6.464 -6.049
117 HB3 PRO 16 3HB PRO 16 6.648 -6.409 -4.293
118 HG2 PRO 16 2HG PRO 16 7.303 -8.761 -5.937
119 HG3 PRO 16 3HG PRO 16 7.212 -8.608 -4.157
120 HD2 PRO 16 2HD PRO 16 5.187 -9.613 -6.066
121 HD3 PRO 16 3HD PRO 16 5.280 -9.868 -4.315
122 H ASN 17 H ASN 17 4.150 -4.712 -6.716
123 HA ASN 17 HA ASN 17 3.365 -6.105 -9.233
124 HB2 ASN 17 2HB ASN 17 1.757 -4.541 -8.736
125 HB3 ASN 17 3HB ASN 17 2.869 -3.431 -7.979
126 HD21 ASN 17 1HD2 ASN 17 2.375 -1.567 -9.222
127 HD22 ASN 17 2HD2 ASN 17 2.545 -1.509 -10.959
128 H GLY 18 H GLY 18 5.185 -6.809 -10.260
129 HA2 GLY 18 2HA GLY 18 7.317 -6.859 -11.147
130 HA3 GLY 18 3HA GLY 18 7.287 -5.095 -11.246
131 H ALA 19 H ALA 19 8.326 -3.905 -9.716
132 HA ALA 19 HA ALA 19 9.137 -5.172 -7.150
133 HB1 ALA 19 1HB ALA 19 10.823 -3.264 -8.814
134 HB2 ALA 19 2HB ALA 19 11.236 -3.896 -7.206
135 HB3 ALA 19 3HB ALA 19 11.119 -4.999 -8.587
136 H LYS 20 H LYS 20 6.970 -2.998 -8.352
137 HA LYS 20 HA LYS 20 7.364 -0.795 -6.480
138 HB2 LYS 20 2HB LYS 20 5.027 -1.621 -8.236
139 HB3 LYS 20 3HB LYS 20 5.089 -0.143 -7.291
140 HG2 LYS 20 2HG LYS 20 6.396 0.927 -8.766
141 HG3 LYS 20 3HG LYS 20 7.520 -0.415 -8.934
142 HD2 LYS 20 2HD LYS 20 5.959 -1.554 -10.483
143 HD3 LYS 20 3HD LYS 20 4.837 -0.207 -10.344
144 HE2 LYS 20 2HE LYS 20 7.689 -0.130 -11.436
145 HE3 LYS 20 3HE LYS 20 6.217 -0.109 -12.414
146 HZ1 LYS 20 1HZ LYS 20 5.652 2.047 -11.403
147 HZ2 LYS 20 2HZ LYS 20 6.977 2.006 -10.468
148 HZ3 LYS 20 3HZ LYS 20 7.173 2.130 -12.074
149 H ARG 21 H ARG 21 6.516 -0.422 -4.589
150 HA ARG 21 HA ARG 21 4.211 -1.694 -3.511
151 HB2 ARG 21 2HB ARG 21 5.000 -3.114 -1.849
152 HB3 ARG 21 3HB ARG 21 6.138 -3.462 -3.145
153 HG2 ARG 21 2HG ARG 21 7.696 -1.716 -2.045
154 HG3 ARG 21 3HG ARG 21 6.541 -1.712 -0.701
155 HD2 ARG 21 2HD ARG 21 6.868 -4.229 -0.551
156 HD3 ARG 21 3HD ARG 21 8.253 -4.030 -1.634
157 HE ARG 21 HE ARG 21 7.966 -3.121 1.171
158 HH11 ARG 21 1HH1 ARG 21 9.903 -2.486 -1.737
159 HH12 ARG 21 2HH1 ARG 21 11.270 -2.021 -0.734
160 HH21 ARG 21 1HH2 ARG 21 10.041 -2.905 2.217
161 HH22 ARG 21 2HH2 ARG 21 11.308 -2.143 1.253
162 H CYS 22 H CYS 22 3.632 -0.821 -1.326
163 HA CYS 22 HA CYS 22 3.772 1.729 -0.690
164 HB2 CYS 22 2HB CYS 22 4.033 -0.595 1.272
165 HB3 CYS 22 3HB CYS 22 3.208 0.967 1.539
166 H GLY 23 H GLY 23 6.324 -0.448 0.741
167 HA2 GLY 23 2HA GLY 23 7.897 1.541 1.919
168 HA3 GLY 23 3HA GLY 23 8.496 -0.016 1.346
169 H THR 24 H THR 24 7.601 1.120 -1.524
170 HA THR 24 HA THR 24 9.712 3.159 -1.929
171 HB THR 24 HB THR 24 10.264 2.145 -4.136
172 HG1 THR 24 HG1 THR 24 9.250 0.513 -4.784
173 HG21 THR 24 1HG2 THR 24 11.740 1.803 -2.186
174 HG22 THR 24 2HG2 THR 24 10.845 0.328 -1.768
175 HG23 THR 24 3HG2 THR 24 11.751 0.419 -3.294
176 H CYS 25 H CYS 25 6.778 3.290 -1.545
177 HA CYS 25 HA CYS 25 5.654 4.196 -4.094
178 HB2 CYS 25 2HB CYS 25 4.272 3.042 -2.512
179 HB3 CYS 25 3HB CYS 25 4.724 4.133 -1.211
180 H ARG 26 H ARG 26 4.437 6.281 -4.014
181 HA ARG 26 HA ARG 26 6.247 8.604 -3.734
182 HB2 ARG 26 2HB ARG 26 4.656 8.276 -5.674
183 HB3 ARG 26 3HB ARG 26 3.303 8.439 -4.550
184 HG2 ARG 26 2HG ARG 26 4.137 10.776 -3.997
185 HG3 ARG 26 3HG ARG 26 5.377 10.562 -5.237
186 HD2 ARG 26 2HD ARG 26 3.482 10.174 -6.893
187 HD3 ARG 26 3HD ARG 26 2.351 10.637 -5.615
188 HE ARG 26 HE ARG 26 4.122 12.390 -7.169
189 HH11 ARG 26 1HH1 ARG 26 2.032 12.416 -4.293
190 HH12 ARG 26 2HH1 ARG 26 2.335 14.102 -4.057
191 HH21 ARG 26 1HH2 ARG 26 4.355 14.438 -6.818
192 HH22 ARG 26 2HH2 ARG 26 3.614 15.239 -5.425
193 H GLN 27 H GLN 27 3.614 7.137 -1.962
194 HA GLN 27 HA GLN 27 3.232 9.562 -0.259
195 HB2 GLN 27 2HB GLN 27 0.825 9.420 -0.760
196 HB3 GLN 27 3HB GLN 27 1.809 9.713 -2.192
197 HG2 GLN 27 2HG GLN 27 1.678 7.266 -2.757
198 HG3 GLN 27 3HG GLN 27 0.602 7.030 -1.382
199 HE21 GLN 27 1HE2 GLN 27 -0.459 6.100 -3.442
200 HE22 GLN 27 2HE2 GLN 27 -1.601 7.169 -4.251
201 H PHE 28 H PHE 28 4.462 7.016 0.425
202 HA PHE 28 HA PHE 28 2.651 5.591 2.250
203 HB2 PHE 28 2HB PHE 28 4.239 4.347 0.987
204 HB3 PHE 28 3HB PHE 28 5.562 5.402 1.436
205 HD1 PHE 28 HD1 PHE 28 3.024 3.185 3.153
206 HD2 PHE 28 HD2 PHE 28 7.109 4.538 2.925
207 HE1 PHE 28 HE1 PHE 28 3.665 1.578 4.940
208 HE2 PHE 28 HE2 PHE 28 7.745 2.924 4.704
209 HZ PHE 28 HZ PHE 28 6.018 1.445 5.713
210 H ARG 29 H ARG 29 4.978 8.202 2.460
211 HA ARG 29 HA ARG 29 5.835 9.442 4.233
212 HB2 ARG 29 2HB ARG 29 2.876 9.327 4.589
213 HB3 ARG 29 3HB ARG 29 3.824 10.094 5.844
214 HG2 ARG 29 2HG ARG 29 2.932 11.654 4.136
215 HG3 ARG 29 3HG ARG 29 4.652 11.776 4.465
216 HD2 ARG 29 2HD ARG 29 5.202 10.628 2.368
217 HD3 ARG 29 3HD ARG 29 3.491 10.284 2.085
218 HE ARG 29 HE ARG 29 3.219 12.365 1.187
219 HH11 ARG 29 1HH1 ARG 29 6.237 12.602 3.042
220 HH12 ARG 29 2HH1 ARG 29 6.538 14.198 2.381
221 HH21 ARG 29 1HH2 ARG 29 3.707 14.453 0.542
222 HH22 ARG 29 2HH2 ARG 29 5.124 15.226 1.252
223 HA PRO 30 HA PRO 30 6.447 5.613 6.636
224 HB2 PRO 30 2HB PRO 30 9.199 5.861 7.057
225 HB3 PRO 30 3HB PRO 30 8.420 5.113 5.631
226 HG2 PRO 30 2HG PRO 30 9.390 7.971 5.942
227 HG3 PRO 30 3HG PRO 30 9.707 6.836 4.590
228 HD2 PRO 30 2HD PRO 30 7.775 8.669 4.380
229 HD3 PRO 30 3HD PRO 30 7.451 7.001 3.817
230 HA PRO 31 HA PRO 31 7.838 4.386 8.438
231 HB2 PRO 31 2HB PRO 31 6.811 3.217 10.669
232 HB3 PRO 31 3HB PRO 31 8.319 4.170 10.665
233 HG2 PRO 31 2HG PRO 31 5.522 5.134 11.380
234 HG3 PRO 31 3HG PRO 31 7.026 5.312 12.347
235 HD2 PRO 31 2HD PRO 31 6.196 7.321 10.744
236 HD3 PRO 31 3HD PRO 31 7.928 6.890 10.824
237 H SER 32 H SER 32 4.464 5.503 8.817
238 HA SER 32 HA SER 32 3.521 3.044 7.444
239 HB2 SER 32 2HB SER 32 1.983 2.497 9.347
240 HB3 SER 32 3HB SER 32 3.686 2.287 9.695
241 HG SER 32 HG SER 32 2.156 4.573 10.493
242 H SER 33 H SER 33 3.071 6.263 7.157
243 HA SER 33 HA SER 33 0.098 6.170 7.394
244 HB2 SER 33 2HB SER 33 1.961 8.509 7.078
245 HB3 SER 33 3HB SER 33 0.197 8.584 7.237
246 HG SER 33 HG SER 33 0.893 8.876 9.241
247 H CYS 34 H CYS 34 -0.377 4.982 5.480
248 HA CYS 34 HA CYS 34 0.177 6.205 2.841
249 HB2 CYS 34 2HB CYS 34 0.079 3.823 2.882
250 HB3 CYS 34 3HB CYS 34 -1.516 3.823 3.660
251 H ILE 35 H ILE 35 -1.465 6.800 1.384
252 HA ILE 35 HA ILE 35 -3.778 8.234 2.602
253 HB ILE 35 HB ILE 35 -1.866 9.649 1.763
254 HG12 ILE 35 2HG1 ILE 35 -3.170 11.342 0.614
255 HG13 ILE 35 3HG1 ILE 35 -4.498 10.222 0.348
256 HG21 ILE 35 1HG2 ILE 35 -2.831 8.800 -1.002
257 HG22 ILE 35 2HG2 ILE 35 -1.579 9.995 -0.626
258 HG23 ILE 35 3HG2 ILE 35 -1.309 8.291 -0.236
259 HD11 ILE 35 1HD1 ILE 35 -4.904 10.091 2.780
260 HD12 ILE 35 2HD1 ILE 35 -3.465 11.095 3.088
261 HD13 ILE 35 3HD1 ILE 35 -4.874 11.778 2.253
262 H THR 36 H THR 36 -3.079 5.585 0.679
263 HA THR 36 HA THR 36 -5.538 5.894 -0.998
264 HB THR 36 HB THR 36 -3.373 3.791 -1.252
265 HG1 THR 36 HG1 THR 36 -2.292 5.214 -2.176
266 HG21 THR 36 1HG2 THR 36 -4.286 3.700 -3.608
267 HG22 THR 36 2HG2 THR 36 -5.423 3.113 -2.388
268 HG23 THR 36 3HG2 THR 36 -5.629 4.738 -3.086
269 H VAL 37 H VAL 37 -4.129 3.729 1.479
270 HA VAL 37 HA VAL 37 -6.695 2.161 1.537
271 HB VAL 37 HB VAL 37 -5.412 0.145 1.859
272 HG11 VAL 37 1HG1 VAL 37 -5.873 0.885 -0.467
273 HG12 VAL 37 2HG1 VAL 37 -4.258 1.637 -0.521
274 HG13 VAL 37 3HG1 VAL 37 -4.410 -0.108 -0.320
275 HG21 VAL 37 1HG2 VAL 37 -3.433 0.925 3.068
276 HG22 VAL 37 2HG2 VAL 37 -2.914 0.112 1.576
277 HG23 VAL 37 3HG2 VAL 37 -2.905 1.868 1.662
278 H GLU 38 H GLU 38 -7.017 0.842 3.516
279 HA GLU 38 HA GLU 38 -7.098 2.172 5.910
280 HB2 GLU 38 2HB GLU 38 -7.007 -0.117 7.002
281 HB3 GLU 38 3HB GLU 38 -8.239 0.103 5.763
282 HG2 GLU 38 2HG GLU 38 -7.161 -1.290 4.248
283 HG3 GLU 38 3HG GLU 38 -5.586 -1.014 4.930
284 H SER 39 H SER 39 -5.706 3.110 7.147
285 HA SER 39 HA SER 39 -2.903 2.140 7.413
286 HB2 SER 39 2HB SER 39 -3.273 3.869 5.673
287 HB3 SER 39 3HB SER 39 -3.816 4.964 6.956
288 HG SER 39 HG SER 39 -1.825 5.085 7.724
289 HA PRO 40 HA PRO 40 -0.940 3.473 9.017
290 HB2 PRO 40 2HB PRO 40 0.199 2.036 11.061
291 HB3 PRO 40 3HB PRO 40 -0.260 3.761 11.163
292 HG2 PRO 40 2HG PRO 40 -1.886 1.360 12.059
293 HG3 PRO 40 3HG PRO 40 -1.494 2.845 12.987
294 HD2 PRO 40 2HD PRO 40 -3.855 2.628 11.706
295 HD3 PRO 40 3HD PRO 40 -2.956 4.171 11.649
296 H ILE 41 H ILE 41 0.236 2.198 7.754
297 HA ILE 41 HA ILE 41 -0.540 -0.659 7.394
298 HB ILE 41 HB ILE 41 -1.440 0.792 5.679
299 HG12 ILE 41 2HG1 ILE 41 -0.602 -0.166 3.610
300 HG13 ILE 41 3HG1 ILE 41 0.832 -0.775 4.409
301 HG21 ILE 41 1HG2 ILE 41 0.015 2.684 5.663
302 HG22 ILE 41 2HG2 ILE 41 1.422 1.695 5.208
303 HG23 ILE 41 3HG2 ILE 41 0.105 1.954 4.061
304 HD11 ILE 41 1HD1 ILE 41 -2.036 -1.649 4.944
305 HD12 ILE 41 2HD1 ILE 41 -0.803 -2.542 4.027
306 HD13 ILE 41 3HD1 ILE 41 -0.594 -2.305 5.760
307 H SER 42 H SER 42 0.987 -2.123 6.619
308 HA SER 42 HA SER 42 3.681 -2.020 7.631
309 HB2 SER 42 2HB SER 42 2.459 -3.840 5.527
310 HB3 SER 42 3HB SER 42 3.891 -4.177 6.508
311 HG SER 42 HG SER 42 1.879 -5.165 7.171
312 H GLU 43 H GLU 43 5.630 -2.445 6.147
313 HA GLU 43 HA GLU 43 5.892 -0.543 4.018
314 HB2 GLU 43 2HB GLU 43 8.053 -1.614 3.597
315 HB3 GLU 43 3HB GLU 43 7.801 -1.348 5.321
316 HG2 GLU 43 2HG GLU 43 7.340 -3.646 5.746
317 HG3 GLU 43 3HG GLU 43 7.150 -4.000 4.033
318 H ASN 44 H ASN 44 4.030 -3.255 3.811
319 HA ASN 44 HA ASN 44 4.141 -3.368 0.878
320 HB2 ASN 44 2HB ASN 44 4.008 -5.902 1.054
321 HB3 ASN 44 3HB ASN 44 5.522 -5.157 1.587
322 HD21 ASN 44 1HD2 ASN 44 6.414 -6.308 3.085
323 HD22 ASN 44 2HD2 ASN 44 5.545 -6.802 4.531
324 H GLY 45 H GLY 45 2.158 -3.792 -0.095
325 HA2 GLY 45 2HA GLY 45 -0.378 -4.275 0.976
326 HA3 GLY 45 3HA GLY 45 0.036 -2.642 1.496
327 H TRP 46 H TRP 46 1.327 -3.403 -1.623
328 HA TRP 46 HA TRP 46 0.520 -1.014 -2.602
329 HB2 TRP 46 2HB TRP 46 2.292 -2.483 -3.514
330 HB3 TRP 46 3HB TRP 46 1.075 -3.486 -4.269
331 HD1 TRP 46 HD1 TRP 46 2.781 -0.067 -4.649
332 HE1 TRP 46 HE1 TRP 46 2.391 0.825 -7.029
333 HE3 TRP 46 HE3 TRP 46 -0.680 -3.485 -6.218
334 HZ2 TRP 46 HZ2 TRP 46 0.669 0.238 -9.249
335 HZ3 TRP 46 HZ3 TRP 46 -1.593 -3.355 -8.551
336 HH2 TRP 46 HH2 TRP 46 -0.987 -1.487 -10.033
337 H CYS 47 H CYS 47 -1.055 -0.058 -3.622
338 HA CYS 47 HA CYS 47 -3.663 -1.372 -3.697
339 HB2 CYS 47 2HB CYS 47 -4.332 1.075 -3.642
340 HB3 CYS 47 3HB CYS 47 -3.236 0.597 -2.337
341 H ARG 48 H ARG 48 -2.586 1.246 -5.571
342 HA ARG 48 HA ARG 48 -2.154 0.055 -8.088
343 HB2 ARG 48 2HB ARG 48 -4.898 0.512 -7.734
344 HB3 ARG 48 3HB ARG 48 -4.391 1.915 -8.651
345 HG2 ARG 48 2HG ARG 48 -3.835 -1.005 -9.385
346 HG3 ARG 48 3HG ARG 48 -5.148 -0.056 -10.035
347 HD2 ARG 48 2HD ARG 48 -2.190 0.392 -10.508
348 HD3 ARG 48 3HD ARG 48 -3.372 -0.196 -11.666
349 HE ARG 48 HE ARG 48 -2.814 2.564 -10.941
350 HH11 ARG 48 1HH1 ARG 48 -5.387 0.602 -12.431
351 HH12 ARG 48 2HH1 ARG 48 -6.149 2.090 -12.991
352 HH21 ARG 48 1HH2 ARG 48 -3.833 4.217 -11.852
353 HH22 ARG 48 2HH2 ARG 48 -5.403 3.977 -12.627
354 H LEU 49 H LEU 49 -2.194 2.692 -5.984
355 HA LEU 49 HA LEU 49 -1.329 4.721 -5.869
356 HB2 LEU 49 2HB LEU 49 0.580 2.966 -6.251
357 HB3 LEU 49 3HB LEU 49 0.857 3.833 -7.753
358 HG LEU 49 HG LEU 49 0.933 4.959 -4.912
359 HD11 LEU 49 1HD1 LEU 49 3.131 4.479 -6.967
360 HD12 LEU 49 2HD1 LEU 49 3.347 5.209 -5.362
361 HD13 LEU 49 3HD1 LEU 49 2.840 3.522 -5.494
362 HD21 LEU 49 1HD2 LEU 49 1.894 7.010 -5.938
363 HD22 LEU 49 2HD2 LEU 49 1.512 6.366 -7.545
364 HD23 LEU 49 3HD2 LEU 49 0.209 6.763 -6.395
365 H TYR 50 H TYR 50 -2.972 5.961 -6.774
366 HA TYR 50 HA TYR 50 -3.237 6.316 -9.639
367 HB2 TYR 50 2HB TYR 50 -4.749 7.553 -7.327
368 HB3 TYR 50 3HB TYR 50 -5.180 7.707 -9.021
369 HD1 TYR 50 HD1 TYR 50 -5.732 5.626 -10.392
370 HD2 TYR 50 HD2 TYR 50 -5.581 5.663 -6.082
371 HE1 TYR 50 HE1 TYR 50 -7.180 3.600 -10.319
372 HE2 TYR 50 HE2 TYR 50 -7.033 3.644 -6.014
373 HH TYR 50 HH TYR 50 -8.230 2.121 -7.224
374 H ALA 51 H ALA 51 -0.713 7.264 -8.951
375 HA ALA 51 HA ALA 51 -0.866 10.216 -9.415
376 HB1 ALA 51 1HB ALA 51 1.311 8.754 -7.895
377 HB2 ALA 51 2HB ALA 51 1.073 10.503 -8.052
378 HB3 ALA 51 3HB ALA 51 -0.084 9.549 -7.119
379 H GLY 52 H GLY 52 1.208 11.074 -10.492
380 HA2 GLY 52 2HA GLY 52 1.709 9.697 -12.953
381 HA3 GLY 52 3HA GLY 52 2.491 11.175 -12.388
382 H LYS 53 H LYS 53 3.505 10.115 -9.967
383 HA LYS 53 HA LYS 53 5.738 8.335 -10.821
384 HB2 LYS 53 2HB LYS 53 5.232 10.196 -8.542
385 HB3 LYS 53 3HB LYS 53 6.058 8.706 -8.125
386 HG2 LYS 53 2HG LYS 53 7.721 10.325 -8.589
387 HG3 LYS 53 3HG LYS 53 7.758 9.100 -9.857
388 HD2 LYS 53 2HD LYS 53 6.486 10.695 -11.361
389 HD3 LYS 53 3HD LYS 53 6.535 11.886 -10.052
390 HE2 LYS 53 2HE LYS 53 8.385 12.516 -11.327
391 HE3 LYS 53 3HE LYS 53 9.117 11.506 -10.072
392 HZ1 LYS 53 1HZ LYS 53 10.004 10.750 -12.108
393 HZ2 LYS 53 2HZ LYS 53 8.827 9.631 -11.821
394 HZ3 LYS 53 3HZ LYS 53 8.570 10.845 -12.895
395 H ALA 54 H ALA 54 4.555 6.559 -11.365
396 HA ALA 54 HA ALA 54 3.837 4.719 -9.154
397 HB1 ALA 54 1HB ALA 54 1.730 5.846 -9.801
398 HB2 ALA 54 2HB ALA 54 1.987 5.380 -11.491
399 HB3 ALA 54 3HB ALA 54 1.702 4.135 -10.252
Start of MODEL 20
1 H1 VAL 1 1H VAL 1 -14.364 12.979 9.705
2 H2 VAL 1 2H VAL 1 -13.075 13.995 9.646
3 H3 VAL 1 3H VAL 1 -12.859 12.357 9.683
4 HA VAL 1 HA VAL 1 -14.161 13.819 7.481
5 HB VAL 1 HB VAL 1 -12.182 13.057 6.128
6 HG11 VAL 1 1HG1 VAL 1 -12.527 15.397 6.835
7 HG12 VAL 1 2HG1 VAL 1 -11.599 15.087 8.321
8 HG13 VAL 1 3HG1 VAL 1 -10.814 14.963 6.740
9 HG21 VAL 1 1HG2 VAL 1 -11.236 11.409 7.780
10 HG22 VAL 1 2HG2 VAL 1 -10.070 12.608 7.209
11 HG23 VAL 1 3HG2 VAL 1 -10.772 12.771 8.825
12 H THR 2 H THR 2 -14.722 12.549 5.635
13 HA THR 2 HA THR 2 -15.911 10.060 6.222
14 HB THR 2 HB THR 2 -16.533 11.589 4.388
15 HG1 THR 2 HG1 THR 2 -17.376 10.041 3.307
16 HG21 THR 2 1HG2 THR 2 -14.291 10.269 2.809
17 HG22 THR 2 2HG2 THR 2 -15.520 11.390 2.197
18 HG23 THR 2 3HG2 THR 2 -14.298 11.965 3.345
19 H LYS 3 H LYS 3 -15.481 7.961 5.627
20 HA LYS 3 HA LYS 3 -13.102 7.008 6.695
21 HB2 LYS 3 2HB LYS 3 -15.423 5.937 6.403
22 HB3 LYS 3 3HB LYS 3 -14.893 5.481 4.783
23 HG2 LYS 3 2HG LYS 3 -12.987 4.182 5.883
24 HG3 LYS 3 3HG LYS 3 -13.682 4.619 7.442
25 HD2 LYS 3 2HD LYS 3 -14.461 2.402 6.874
26 HD3 LYS 3 3HD LYS 3 -15.814 3.522 6.792
27 HE2 LYS 3 2HE LYS 3 -15.974 1.994 4.947
28 HE3 LYS 3 3HE LYS 3 -15.624 3.595 4.303
29 HZ1 LYS 3 1HZ LYS 3 -13.313 2.929 4.034
30 HZ2 LYS 3 2HZ LYS 3 -13.573 1.489 4.749
31 HZ3 LYS 3 3HZ LYS 3 -14.243 1.826 3.275
32 H LYS 4 H LYS 4 -11.167 6.156 5.963
33 HA LYS 4 HA LYS 4 -10.128 6.489 3.298
34 HB2 LYS 4 2HB LYS 4 -9.296 4.657 5.590
35 HB3 LYS 4 3HB LYS 4 -8.354 4.975 4.127
36 HG2 LYS 4 2HG LYS 4 -8.461 7.443 4.617
37 HG3 LYS 4 3HG LYS 4 -9.300 7.097 6.105
38 HD2 LYS 4 2HD LYS 4 -7.035 7.494 6.660
39 HD3 LYS 4 3HD LYS 4 -7.425 5.783 6.929
40 HE2 LYS 4 2HE LYS 4 -6.368 5.272 4.707
41 HE3 LYS 4 3HE LYS 4 -5.850 6.961 4.608
42 HZ1 LYS 4 1HZ LYS 4 -4.547 6.674 6.600
43 HZ2 LYS 4 2HZ LYS 4 -5.083 5.143 6.848
44 HZ3 LYS 4 3HZ LYS 4 -4.139 5.496 5.557
45 H ALA 5 H ALA 5 -9.331 4.620 1.971
46 HA ALA 5 HA ALA 5 -11.563 2.892 1.187
47 HB1 ALA 5 1HB ALA 5 -8.652 2.912 0.282
48 HB2 ALA 5 2HB ALA 5 -9.990 2.040 -0.491
49 HB3 ALA 5 3HB ALA 5 -9.982 3.814 -0.481
50 H SER 6 H SER 6 -11.844 0.700 1.689
51 HA SER 6 HA SER 6 -10.437 -0.184 4.044
52 HB2 SER 6 2HB SER 6 -11.804 -2.098 4.105
53 HB3 SER 6 3HB SER 6 -12.831 -0.747 3.627
54 HG SER 6 HG SER 6 -13.095 -1.637 1.682
55 H HIS 7 H HIS 7 -9.177 -2.075 4.357
56 HA HIS 7 HA HIS 7 -7.177 -2.647 2.385
57 HB2 HIS 7 2HB HIS 7 -6.778 -4.715 3.796
58 HB3 HIS 7 3HB HIS 7 -6.608 -3.149 4.587
59 HD2 HIS 7 HD2 HIS 7 -7.861 -2.835 6.769
60 HE1 HIS 7 HE1 HIS 7 -10.870 -5.833 6.382
61 HE2 HIS 7 HE2 HIS 7 -9.919 -4.011 7.907
62 H LYS 8 H LYS 8 -10.330 -4.129 2.913
63 HA LYS 8 HA LYS 8 -10.160 -6.293 1.026
64 HB2 LYS 8 2HB LYS 8 -11.871 -6.078 2.810
65 HB3 LYS 8 3HB LYS 8 -12.583 -4.727 1.934
66 HG2 LYS 8 2HG LYS 8 -13.880 -6.527 1.338
67 HG3 LYS 8 3HG LYS 8 -12.863 -6.333 -0.074
68 HD2 LYS 8 2HD LYS 8 -11.379 -8.178 0.811
69 HD3 LYS 8 3HD LYS 8 -12.500 -8.394 2.153
70 HE2 LYS 8 2HE LYS 8 -13.033 -8.879 -0.814
71 HE3 LYS 8 3HE LYS 8 -12.878 -10.075 0.468
72 HZ1 LYS 8 1HZ LYS 8 -14.891 -8.891 1.486
73 HZ2 LYS 8 2HZ LYS 8 -15.109 -8.215 0.003
74 HZ3 LYS 8 3HZ LYS 8 -15.177 -9.841 0.159
75 H ASP 9 H ASP 9 -11.614 -3.044 0.616
76 HA ASP 9 HA ASP 9 -12.188 -3.275 -2.139
77 HB2 ASP 9 2HB ASP 9 -11.753 -0.924 -0.249
78 HB3 ASP 9 3HB ASP 9 -12.311 -0.749 -1.884
79 H ALA 10 H ALA 10 -9.242 -2.161 -0.480
80 HA ALA 10 HA ALA 10 -7.858 -1.392 -2.927
81 HB1 ALA 10 1HB ALA 10 -5.960 -1.108 -1.384
82 HB2 ALA 10 2HB ALA 10 -7.429 -0.355 -0.730
83 HB3 ALA 10 3HB ALA 10 -6.869 -1.917 -0.091
84 H GLY 11 H GLY 11 -8.423 -4.471 -1.394
85 HA2 GLY 11 2HA GLY 11 -7.705 -6.590 -1.864
86 HA3 GLY 11 3HA GLY 11 -7.265 -5.972 -3.457
87 H TYR 12 H TYR 12 -5.783 -5.163 -0.270
88 HA TYR 12 HA TYR 12 -3.253 -5.024 -1.390
89 HB2 TYR 12 2HB TYR 12 -2.363 -4.515 0.637
90 HB3 TYR 12 3HB TYR 12 -4.014 -3.962 0.755
91 HD1 TYR 12 HD1 TYR 12 -5.528 -6.341 1.661
92 HD2 TYR 12 HD2 TYR 12 -1.585 -5.007 2.767
93 HE1 TYR 12 HE1 TYR 12 -5.790 -7.414 3.883
94 HE2 TYR 12 HE2 TYR 12 -1.866 -6.048 5.012
95 HH TYR 12 HH TYR 12 -3.264 -7.211 6.433
96 H GLN 13 H GLN 13 -1.375 -6.176 -1.479
97 HA GLN 13 HA GLN 13 -1.722 -9.131 -1.275
98 HB2 GLN 13 2HB GLN 13 -0.139 -9.244 -3.220
99 HB3 GLN 13 3HB GLN 13 -1.752 -8.662 -3.514
100 HG2 GLN 13 2HG GLN 13 -0.887 -6.305 -3.606
101 HG3 GLN 13 3HG GLN 13 0.754 -6.966 -3.414
102 HE21 GLN 13 1HE2 GLN 13 1.576 -6.308 -5.290
103 HE22 GLN 13 2HE2 GLN 13 1.134 -7.141 -6.761
104 H GLU 14 H GLU 14 0.214 -10.426 -1.192
105 HA GLU 14 HA GLU 14 1.823 -9.533 1.077
106 HB2 GLU 14 2HB GLU 14 2.485 -11.783 1.285
107 HB3 GLU 14 3HB GLU 14 0.785 -11.774 0.833
108 HG2 GLU 14 2HG GLU 14 1.871 -12.013 -1.644
109 HG3 GLU 14 3HG GLU 14 3.189 -12.710 -0.716
110 H SER 15 H SER 15 2.292 -9.286 -2.304
111 HA SER 15 HA SER 15 5.179 -8.766 -1.937
112 HB2 SER 15 2HB SER 15 5.576 -10.111 -4.116
113 HB3 SER 15 3HB SER 15 5.406 -10.952 -2.593
114 HG SER 15 HG SER 15 3.969 -11.997 -3.948
115 HA PRO 16 HA PRO 16 4.809 -5.346 -4.607
116 HB2 PRO 16 2HB PRO 16 7.257 -6.287 -6.073
117 HB3 PRO 16 3HB PRO 16 6.928 -4.701 -5.325
118 HG2 PRO 16 2HG PRO 16 8.545 -6.561 -4.130
119 HG3 PRO 16 3HG PRO 16 7.451 -5.509 -3.177
120 HD2 PRO 16 2HD PRO 16 7.079 -8.428 -3.879
121 HD3 PRO 16 3HD PRO 16 6.648 -7.504 -2.425
122 H ASN 17 H ASN 17 3.947 -4.682 -6.462
123 HA ASN 17 HA ASN 17 3.595 -6.486 -8.809
124 HB2 ASN 17 2HB ASN 17 1.596 -5.289 -8.106
125 HB3 ASN 17 3HB ASN 17 2.443 -3.758 -8.114
126 HD21 ASN 17 1HD2 ASN 17 0.387 -3.402 -9.567
127 HD22 ASN 17 2HD2 ASN 17 0.619 -3.739 -11.282
128 H GLY 18 H GLY 18 5.975 -6.554 -8.938
129 HA2 GLY 18 2HA GLY 18 7.992 -5.977 -9.898
130 HA3 GLY 18 3HA GLY 18 7.101 -4.853 -10.929
131 H ALA 19 H ALA 19 7.592 -2.781 -10.692
132 HA ALA 19 HA ALA 19 9.325 -1.781 -8.660
133 HB1 ALA 19 1HB ALA 19 8.921 0.391 -9.732
134 HB2 ALA 19 2HB ALA 19 9.218 -0.876 -10.935
135 HB3 ALA 19 3HB ALA 19 7.560 -0.303 -10.639
136 H LYS 20 H LYS 20 5.806 -1.982 -8.830
137 HA LYS 20 HA LYS 20 5.391 0.136 -6.821
138 HB2 LYS 20 2HB LYS 20 3.317 -1.666 -8.125
139 HB3 LYS 20 3HB LYS 20 3.032 -0.287 -7.082
140 HG2 LYS 20 2HG LYS 20 2.655 0.721 -9.050
141 HG3 LYS 20 3HG LYS 20 4.386 1.057 -8.925
142 HD2 LYS 20 2HD LYS 20 4.883 -0.787 -10.477
143 HD3 LYS 20 3HD LYS 20 3.185 -1.323 -10.428
144 HE2 LYS 20 2HE LYS 20 2.451 0.798 -11.423
145 HE3 LYS 20 3HE LYS 20 4.116 1.394 -11.440
146 HZ1 LYS 20 1HZ LYS 20 4.693 -0.282 -13.032
147 HZ2 LYS 20 2HZ LYS 20 3.225 -1.033 -12.923
148 HZ3 LYS 20 3HZ LYS 20 3.334 0.462 -13.579
149 H ARG 21 H ARG 21 5.533 -0.199 -4.790
150 HA ARG 21 HA ARG 21 3.901 -2.231 -3.474
151 HB2 ARG 21 2HB ARG 21 5.548 -3.557 -2.721
152 HB3 ARG 21 3HB ARG 21 6.693 -2.719 -3.749
153 HG2 ARG 21 2HG ARG 21 7.100 -1.076 -1.899
154 HG3 ARG 21 3HG ARG 21 6.027 -2.049 -0.867
155 HD2 ARG 21 2HD ARG 21 7.615 -4.008 -1.383
156 HD3 ARG 21 3HD ARG 21 8.686 -2.795 -2.106
157 HE ARG 21 HE ARG 21 7.733 -2.444 0.701
158 HH11 ARG 21 1HH1 ARG 21 10.461 -3.408 -1.289
159 HH12 ARG 21 2HH1 ARG 21 11.614 -2.809 -0.121
160 HH21 ARG 21 1HH2 ARG 21 9.311 -1.798 2.197
161 HH22 ARG 21 2HH2 ARG 21 10.941 -2.313 1.936
162 H CYS 22 H CYS 22 3.503 -1.486 -1.153
163 HA CYS 22 HA CYS 22 3.164 1.295 -0.857
164 HB2 CYS 22 2HB CYS 22 3.411 -0.939 1.210
165 HB3 CYS 22 3HB CYS 22 2.816 0.697 1.524
166 H GLY 23 H GLY 23 5.857 -0.620 0.610
167 HA2 GLY 23 2HA GLY 23 7.530 1.512 1.370
168 HA3 GLY 23 3HA GLY 23 8.048 -0.118 1.006
169 H THR 24 H THR 24 6.643 1.362 -1.778
170 HA THR 24 HA THR 24 9.081 2.896 -2.499
171 HB THR 24 HB THR 24 8.985 2.220 -4.837
172 HG1 THR 24 HG1 THR 24 7.768 0.455 -5.459
173 HG21 THR 24 1HG2 THR 24 9.973 0.024 -4.656
174 HG22 THR 24 2HG2 THR 24 10.488 0.987 -3.267
175 HG23 THR 24 3HG2 THR 24 9.228 -0.251 -3.071
176 H CYS 25 H CYS 25 5.624 2.384 -2.834
177 HA CYS 25 HA CYS 25 4.693 4.330 -4.486
178 HB2 CYS 25 2HB CYS 25 3.279 2.717 -3.304
179 HB3 CYS 25 3HB CYS 25 3.683 3.452 -1.748
180 H ARG 26 H ARG 26 4.101 6.406 -4.452
181 HA ARG 26 HA ARG 26 5.628 8.216 -2.743
182 HB2 ARG 26 2HB ARG 26 5.464 8.311 -5.262
183 HB3 ARG 26 3HB ARG 26 3.806 8.893 -5.083
184 HG2 ARG 26 2HG ARG 26 4.595 10.918 -3.977
185 HG3 ARG 26 3HG ARG 26 6.249 10.269 -3.878
186 HD2 ARG 26 2HD ARG 26 6.403 10.298 -6.335
187 HD3 ARG 26 3HD ARG 26 4.719 10.838 -6.442
188 HE ARG 26 HE ARG 26 6.671 12.502 -4.918
189 HH11 ARG 26 1HH1 ARG 26 4.590 12.247 -7.778
190 HH12 ARG 26 2HH1 ARG 26 4.978 13.873 -8.269
191 HH21 ARG 26 1HH2 ARG 26 6.895 14.636 -5.548
192 HH22 ARG 26 2HH2 ARG 26 6.098 15.226 -6.980
193 H GLN 27 H GLN 27 2.796 6.733 -2.144
194 HA GLN 27 HA GLN 27 1.640 9.033 -0.614
195 HB2 GLN 27 2HB GLN 27 0.133 6.832 -2.076
196 HB3 GLN 27 3HB GLN 27 -0.594 8.077 -1.051
197 HG2 GLN 27 2HG GLN 27 0.249 9.846 -2.559
198 HG3 GLN 27 3HG GLN 27 0.927 8.612 -3.627
199 HE21 GLN 27 1HE2 GLN 27 -0.775 6.884 -4.433
200 HE22 GLN 27 2HE2 GLN 27 -2.238 7.655 -5.007
201 H PHE 28 H PHE 28 3.418 6.498 0.023
202 HA PHE 28 HA PHE 28 1.781 4.993 1.899
203 HB2 PHE 28 2HB PHE 28 3.552 3.995 0.544
204 HB3 PHE 28 3HB PHE 28 4.751 5.030 1.299
205 HD1 PHE 28 HD1 PHE 28 1.982 2.931 2.824
206 HD2 PHE 28 HD2 PHE 28 6.219 3.611 2.436
207 HE1 PHE 28 HE1 PHE 28 2.430 1.112 4.455
208 HE2 PHE 28 HE2 PHE 28 6.660 1.791 4.070
209 HZ PHE 28 HZ PHE 28 4.755 0.541 5.076
210 H ARG 29 H ARG 29 3.765 7.835 2.194
211 HA ARG 29 HA ARG 29 4.859 8.853 3.924
212 HB2 ARG 29 2HB ARG 29 2.422 9.473 4.101
213 HB3 ARG 29 3HB ARG 29 2.252 8.257 5.362
214 HG2 ARG 29 2HG ARG 29 2.468 10.433 6.365
215 HG3 ARG 29 3HG ARG 29 3.900 9.493 6.765
216 HD2 ARG 29 2HD ARG 29 5.183 10.673 5.002
217 HD3 ARG 29 3HD ARG 29 3.732 11.609 4.575
218 HE ARG 29 HE ARG 29 4.027 12.014 7.296
219 HH11 ARG 29 1HH1 ARG 29 6.136 12.710 4.596
220 HH12 ARG 29 2HH1 ARG 29 7.078 13.859 5.534
221 HH21 ARG 29 1HH2 ARG 29 5.077 13.426 8.340
222 HH22 ARG 29 2HH2 ARG 29 6.401 14.354 7.628
223 HA PRO 30 HA PRO 30 5.934 4.615 5.569
224 HB2 PRO 30 2HB PRO 30 8.722 4.918 5.431
225 HB3 PRO 30 3HB PRO 30 7.680 4.237 4.160
226 HG2 PRO 30 2HG PRO 30 8.682 7.077 4.444
227 HG3 PRO 30 3HG PRO 30 8.641 6.050 2.974
228 HD2 PRO 30 2HD PRO 30 6.736 7.897 3.385
229 HD3 PRO 30 3HD PRO 30 6.270 6.281 2.782
230 HA PRO 31 HA PRO 31 7.584 3.288 6.861
231 HB2 PRO 31 2HB PRO 31 7.607 1.914 9.148
232 HB3 PRO 31 3HB PRO 31 8.788 3.222 8.852
233 HG2 PRO 31 2HG PRO 31 6.155 3.424 10.376
234 HG3 PRO 31 3HG PRO 31 7.793 3.909 10.927
235 HD2 PRO 31 2HD PRO 31 6.077 5.700 9.793
236 HD3 PRO 31 3HD PRO 31 7.831 5.780 9.564
237 H SER 32 H SER 32 4.426 4.173 8.021
238 HA SER 32 HA SER 32 3.324 1.639 6.919
239 HB2 SER 32 2HB SER 32 2.130 1.101 9.008
240 HB3 SER 32 3HB SER 32 3.879 1.047 9.187
241 HG SER 32 HG SER 32 2.948 2.076 10.932
242 H SER 33 H SER 33 2.727 4.933 6.814
243 HA SER 33 HA SER 33 -0.194 4.622 7.384
244 HB2 SER 33 2HB SER 33 1.474 7.127 7.520
245 HB3 SER 33 3HB SER 33 -0.250 6.903 7.903
246 HG SER 33 HG SER 33 0.954 6.900 9.749
247 H CYS 34 H CYS 34 -0.422 3.866 5.137
248 HA CYS 34 HA CYS 34 -0.142 5.488 2.817
249 HB2 CYS 34 2HB CYS 34 -0.684 3.133 2.562
250 HB3 CYS 34 3HB CYS 34 -2.225 3.341 3.432
251 H ILE 35 H ILE 35 -1.192 7.145 1.930
252 HA ILE 35 HA ILE 35 -3.006 8.719 3.505
253 HB ILE 35 HB ILE 35 -2.037 8.864 0.637
254 HG12 ILE 35 2HG1 ILE 35 -1.453 10.588 3.094
255 HG13 ILE 35 3HG1 ILE 35 -0.441 9.242 2.577
256 HG21 ILE 35 1HG2 ILE 35 -3.757 10.941 2.061
257 HG22 ILE 35 2HG2 ILE 35 -2.942 11.165 0.499
258 HG23 ILE 35 3HG2 ILE 35 -4.228 9.988 0.633
259 HD11 ILE 35 1HD1 ILE 35 -0.879 11.845 1.084
260 HD12 ILE 35 2HD1 ILE 35 0.612 11.214 1.797
261 HD13 ILE 35 3HD1 ILE 35 -0.090 10.414 0.375
262 H THR 36 H THR 36 -3.626 6.236 1.107
263 HA THR 36 HA THR 36 -6.506 7.016 0.964
264 HB THR 36 HB THR 36 -5.113 5.108 -0.913
265 HG1 THR 36 HG1 THR 36 -4.037 6.910 -1.161
266 HG21 THR 36 1HG2 THR 36 -7.669 6.776 -1.066
267 HG22 THR 36 2HG2 THR 36 -6.943 5.926 -2.445
268 HG23 THR 36 3HG2 THR 36 -7.535 5.009 -1.055
269 H VAL 37 H VAL 37 -4.467 4.167 1.775
270 HA VAL 37 HA VAL 37 -6.948 2.589 2.216
271 HB VAL 37 HB VAL 37 -4.059 1.657 2.258
272 HG11 VAL 37 1HG1 VAL 37 -6.700 0.121 2.136
273 HG12 VAL 37 2HG1 VAL 37 -5.084 -0.595 1.927
274 HG13 VAL 37 3HG1 VAL 37 -5.528 0.107 3.478
275 HG21 VAL 37 1HG2 VAL 37 -4.588 2.432 0.010
276 HG22 VAL 37 2HG2 VAL 37 -4.632 0.675 0.026
277 HG23 VAL 37 3HG2 VAL 37 -6.158 1.592 0.041
278 H GLU 38 H GLU 38 -7.586 1.744 4.174
279 HA GLU 38 HA GLU 38 -6.938 3.109 6.547
280 HB2 GLU 38 2HB GLU 38 -8.195 1.425 7.732
281 HB3 GLU 38 3HB GLU 38 -9.035 1.965 6.291
282 HG2 GLU 38 2HG GLU 38 -8.505 -0.110 5.149
283 HG3 GLU 38 3HG GLU 38 -7.536 -0.649 6.509
284 H SER 39 H SER 39 -5.367 3.082 8.006
285 HA SER 39 HA SER 39 -3.316 0.951 7.889
286 HB2 SER 39 2HB SER 39 -1.607 2.718 7.650
287 HB3 SER 39 3HB SER 39 -2.746 2.694 6.315
288 HG SER 39 HG SER 39 -2.608 4.547 8.479
289 HA PRO 40 HA PRO 40 -0.607 1.823 9.206
290 HB2 PRO 40 2HB PRO 40 0.424 -0.197 10.749
291 HB3 PRO 40 3HB PRO 40 0.404 1.537 11.192
292 HG2 PRO 40 2HG PRO 40 -1.609 -0.598 11.981
293 HG3 PRO 40 3HG PRO 40 -0.752 0.569 13.045
294 HD2 PRO 40 2HD PRO 40 -3.239 1.118 12.197
295 HD3 PRO 40 3HD PRO 40 -2.003 2.409 12.177
296 H ILE 41 H ILE 41 0.062 0.644 7.523
297 HA ILE 41 HA ILE 41 -1.224 -1.976 6.934
298 HB ILE 41 HB ILE 41 -2.197 0.057 5.761
299 HG12 ILE 41 2HG1 ILE 41 -2.482 -0.941 3.589
300 HG13 ILE 41 3HG1 ILE 41 -1.147 -2.051 3.848
301 HG21 ILE 41 1HG2 ILE 41 -0.060 1.233 5.271
302 HG22 ILE 41 2HG2 ILE 41 0.359 -0.045 4.108
303 HG23 ILE 41 3HG2 ILE 41 -1.053 0.982 3.829
304 HD11 ILE 41 1HD1 ILE 41 -2.424 -3.228 5.591
305 HD12 ILE 41 2HD1 ILE 41 -3.690 -1.974 5.548
306 HD13 ILE 41 3HD1 ILE 41 -3.445 -3.045 4.157
307 H SER 42 H SER 42 -0.069 -3.251 5.261
308 HA SER 42 HA SER 42 2.508 -3.968 6.129
309 HB2 SER 42 2HB SER 42 1.205 -5.605 5.029
310 HB3 SER 42 3HB SER 42 0.905 -4.564 3.628
311 HG SER 42 HG SER 42 2.672 -6.397 3.713
312 H GLU 43 H GLU 43 4.630 -3.758 5.302
313 HA GLU 43 HA GLU 43 5.167 -1.331 3.801
314 HB2 GLU 43 2HB GLU 43 7.427 -1.836 4.053
315 HB3 GLU 43 3HB GLU 43 6.655 -2.124 5.605
316 HG2 GLU 43 2HG GLU 43 6.769 -4.557 5.249
317 HG3 GLU 43 3HG GLU 43 7.383 -4.298 3.638
318 H ASN 44 H ASN 44 4.378 -4.536 2.778
319 HA ASN 44 HA ASN 44 5.607 -4.153 0.112
320 HB2 ASN 44 2HB ASN 44 4.775 -6.435 1.858
321 HB3 ASN 44 3HB ASN 44 4.322 -6.606 0.192
322 HD21 ASN 44 1HD2 ASN 44 5.651 -8.498 0.512
323 HD22 ASN 44 2HD2 ASN 44 7.343 -8.279 0.154
324 H GLY 45 H GLY 45 2.443 -4.945 1.582
325 HA2 GLY 45 2HA GLY 45 0.274 -4.594 0.885
326 HA3 GLY 45 3HA GLY 45 0.881 -2.951 0.818
327 H TRP 46 H TRP 46 0.940 -1.940 -1.069
328 HA TRP 46 HA TRP 46 0.220 -1.190 -2.976
329 HB2 TRP 46 2HB TRP 46 1.767 -2.784 -4.078
330 HB3 TRP 46 3HB TRP 46 0.416 -3.898 -4.284
331 HD1 TRP 46 HD1 TRP 46 1.154 -0.178 -5.087
332 HE1 TRP 46 HE1 TRP 46 0.144 0.449 -7.358
333 HE3 TRP 46 HE3 TRP 46 -1.075 -4.641 -6.277
334 HZ2 TRP 46 HZ2 TRP 46 -1.208 -0.856 -9.512
335 HZ3 TRP 46 HZ3 TRP 46 -2.354 -4.854 -8.401
336 HH2 TRP 46 HH2 TRP 46 -2.407 -2.990 -10.036
337 H CYS 47 H CYS 47 -1.648 -0.431 -3.383
338 HA CYS 47 HA CYS 47 -4.151 -1.900 -2.951
339 HB2 CYS 47 2HB CYS 47 -5.024 0.467 -3.425
340 HB3 CYS 47 3HB CYS 47 -3.862 0.378 -2.083
341 H ARG 48 H ARG 48 -4.474 0.309 -5.386
342 HA ARG 48 HA ARG 48 -3.392 -1.282 -7.586
343 HB2 ARG 48 2HB ARG 48 -6.340 -0.513 -7.598
344 HB3 ARG 48 3HB ARG 48 -5.425 -0.927 -9.038
345 HG2 ARG 48 2HG ARG 48 -6.228 -2.986 -8.676
346 HG3 ARG 48 3HG ARG 48 -4.798 -3.129 -7.681
347 HD2 ARG 48 2HD ARG 48 -6.218 -2.501 -5.675
348 HD3 ARG 48 3HD ARG 48 -7.622 -2.462 -6.722
349 HE ARG 48 HE ARG 48 -5.936 -4.871 -6.099
350 HH11 ARG 48 1HH1 ARG 48 -9.143 -3.688 -7.011
351 HH12 ARG 48 2HH1 ARG 48 -9.905 -5.164 -6.450
352 HH21 ARG 48 1HH2 ARG 48 -6.987 -6.885 -6.037
353 HH22 ARG 48 2HH2 ARG 48 -8.719 -6.914 -6.224
354 H LEU 49 H LEU 49 -3.049 1.431 -6.093
355 HA LEU 49 HA LEU 49 -3.386 3.397 -8.266
356 HB2 LEU 49 2HB LEU 49 -2.267 3.658 -5.453
357 HB3 LEU 49 3HB LEU 49 -2.560 4.993 -6.558
358 HG LEU 49 HG LEU 49 -4.723 3.173 -5.401
359 HD11 LEU 49 1HD1 LEU 49 -3.975 6.062 -4.797
360 HD12 LEU 49 2HD1 LEU 49 -5.378 5.193 -4.143
361 HD13 LEU 49 3HD1 LEU 49 -3.741 4.662 -3.724
362 HD21 LEU 49 1HD2 LEU 49 -5.437 4.006 -7.582
363 HD22 LEU 49 2HD2 LEU 49 -6.287 4.885 -6.313
364 HD23 LEU 49 3HD2 LEU 49 -4.926 5.657 -7.158
365 H TYR 50 H TYR 50 -1.592 4.937 -8.752
366 HA TYR 50 HA TYR 50 1.132 3.826 -8.693
367 HB2 TYR 50 2HB TYR 50 1.340 3.977 -11.194
368 HB3 TYR 50 3HB TYR 50 0.449 2.631 -10.547
369 HD1 TYR 50 HD1 TYR 50 0.144 5.751 -12.527
370 HD2 TYR 50 HD2 TYR 50 -1.915 2.297 -10.968
371 HE1 TYR 50 HE1 TYR 50 -1.755 6.189 -14.065
372 HE2 TYR 50 HE2 TYR 50 -3.786 2.700 -12.550
373 HH TYR 50 HH TYR 50 -4.511 3.920 -14.338
374 H ALA 51 H ALA 51 0.869 5.858 -7.240
375 HA ALA 51 HA ALA 51 1.145 8.416 -8.629
376 HB1 ALA 51 1HB ALA 51 1.608 7.563 -5.749
377 HB2 ALA 51 2HB ALA 51 1.668 9.235 -6.343
378 HB3 ALA 51 3HB ALA 51 0.149 8.323 -6.437
379 H GLY 52 H GLY 52 2.895 8.900 -9.803
380 HA2 GLY 52 2HA GLY 52 5.042 9.452 -10.331
381 HA3 GLY 52 3HA GLY 52 5.566 8.954 -8.724
382 H LYS 53 H LYS 53 5.214 6.491 -8.484
383 HA LYS 53 HA LYS 53 7.170 5.070 -10.121
384 HB2 LYS 53 2HB LYS 53 5.452 4.467 -7.682
385 HB3 LYS 53 3HB LYS 53 6.427 3.219 -8.440
386 HG2 LYS 53 2HG LYS 53 7.413 4.300 -6.410
387 HG3 LYS 53 3HG LYS 53 8.450 4.216 -7.842
388 HD2 LYS 53 2HD LYS 53 8.219 6.599 -8.226
389 HD3 LYS 53 3HD LYS 53 6.949 6.707 -6.993
390 HE2 LYS 53 2HE LYS 53 8.986 7.568 -6.042
391 HE3 LYS 53 3HE LYS 53 8.547 6.059 -5.248
392 HZ1 LYS 53 1HZ LYS 53 10.723 6.415 -7.237
393 HZ2 LYS 53 2HZ LYS 53 10.865 6.058 -5.653
394 HZ3 LYS 53 3HZ LYS 53 10.242 4.944 -6.677
395 H ALA 54 H ALA 54 6.252 4.994 -12.160
396 HA ALA 54 HA ALA 54 4.034 3.084 -12.656
397 HB1 ALA 54 1HB ALA 54 2.787 4.801 -13.920
398 HB2 ALA 54 2HB ALA 54 2.993 5.293 -12.229
399 HB3 ALA 54 3HB ALA 54 4.010 6.016 -13.484
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