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 |
|
|
653187 |
6xyv   |
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 -11.563 8.563 -18.352
2 H2 VAL 1 2H VAL 1 -12.212 7.840 -17.006
3 H3 VAL 1 3H VAL 1 -11.430 6.948 -18.150
4 HA VAL 1 HA VAL 1 -9.422 8.364 -17.705
5 HB VAL 1 HB VAL 1 -10.981 8.843 -15.144
6 HG11 VAL 1 1HG1 VAL 1 -8.088 9.499 -15.833
7 HG12 VAL 1 2HG1 VAL 1 -8.972 10.106 -14.417
8 HG13 VAL 1 3HG1 VAL 1 -8.642 8.385 -14.559
9 HG21 VAL 1 1HG2 VAL 1 -11.531 10.436 -16.977
10 HG22 VAL 1 2HG2 VAL 1 -10.612 11.231 -15.702
11 HG23 VAL 1 3HG2 VAL 1 -9.801 10.763 -17.211
12 H THR 2 H THR 2 -7.776 7.042 -17.183
13 HA THR 2 HA THR 2 -8.388 4.311 -16.777
14 HB THR 2 HB THR 2 -5.630 5.507 -16.428
15 HG1 THR 2 HG1 THR 2 -6.932 4.909 -18.885
16 HG21 THR 2 1HG2 THR 2 -5.773 3.060 -16.148
17 HG22 THR 2 2HG2 THR 2 -6.621 2.915 -17.703
18 HG23 THR 2 3HG2 THR 2 -4.933 3.467 -17.651
19 H LYS 3 H LYS 3 -8.117 2.870 -15.089
20 HA LYS 3 HA LYS 3 -7.916 3.974 -12.327
21 HB2 LYS 3 2HB LYS 3 -9.874 2.583 -13.260
22 HB3 LYS 3 3HB LYS 3 -8.779 1.203 -13.216
23 HG2 LYS 3 2HG LYS 3 -8.510 1.597 -10.726
24 HG3 LYS 3 3HG LYS 3 -9.721 2.883 -10.867
25 HD2 LYS 3 2HD LYS 3 -11.282 1.086 -11.877
26 HD3 LYS 3 3HD LYS 3 -10.048 -0.091 -11.425
27 HE2 LYS 3 2HE LYS 3 -11.320 -0.262 -9.547
28 HE3 LYS 3 3HE LYS 3 -10.291 1.076 -9.021
29 HZ1 LYS 3 1HZ LYS 3 -12.059 2.601 -9.691
30 HZ2 LYS 3 2HZ LYS 3 -12.995 1.349 -10.238
31 HZ3 LYS 3 3HZ LYS 3 -12.654 1.514 -8.635
32 H LYS 4 H LYS 4 -6.568 2.967 -10.666
33 HA LYS 4 HA LYS 4 -4.105 1.632 -11.599
34 HB2 LYS 4 2HB LYS 4 -5.172 2.431 -8.871
35 HB3 LYS 4 3HB LYS 4 -3.729 1.455 -9.015
36 HG2 LYS 4 2HG LYS 4 -3.873 3.865 -10.713
37 HG3 LYS 4 3HG LYS 4 -3.673 4.129 -8.969
38 HD2 LYS 4 2HD LYS 4 -1.624 2.704 -9.037
39 HD3 LYS 4 3HD LYS 4 -1.905 2.415 -10.780
40 HE2 LYS 4 2HE LYS 4 -1.941 4.974 -11.024
41 HE3 LYS 4 3HE LYS 4 -1.315 5.045 -9.375
42 HZ1 LYS 4 1HZ LYS 4 0.004 3.618 -11.629
43 HZ2 LYS 4 2HZ LYS 4 0.432 5.116 -11.119
44 HZ3 LYS 4 3HZ LYS 4 0.622 3.821 -10.127
45 H ALA 5 H ALA 5 -3.433 -0.191 -10.196
46 HA ALA 5 HA ALA 5 -5.193 -2.544 -10.490
47 HB1 ALA 5 1HB ALA 5 -3.412 -3.727 -9.258
48 HB2 ALA 5 2HB ALA 5 -2.745 -2.813 -10.625
49 HB3 ALA 5 3HB ALA 5 -2.576 -2.190 -8.963
50 H SER 6 H SER 6 -6.437 -3.526 -8.838
51 HA SER 6 HA SER 6 -7.182 -1.867 -6.563
52 HB2 SER 6 2HB SER 6 -8.563 -3.753 -5.872
53 HB3 SER 6 3HB SER 6 -8.848 -3.306 -7.559
54 HG SER 6 HG SER 6 -8.679 -5.436 -7.648
55 H HIS 7 H HIS 7 -6.827 -2.348 -4.351
56 HA HIS 7 HA HIS 7 -4.165 -3.127 -3.633
57 HB2 HIS 7 2HB HIS 7 -5.743 -3.393 -1.341
58 HB3 HIS 7 3HB HIS 7 -4.815 -2.007 -1.821
59 HD2 HIS 7 HD2 HIS 7 -6.383 -0.123 -3.443
60 HE1 HIS 7 HE1 HIS 7 -10.023 -1.234 -1.525
61 HE2 HIS 7 HE2 HIS 7 -8.904 0.475 -3.037
62 H LYS 8 H LYS 8 -7.154 -4.892 -3.779
63 HA LYS 8 HA LYS 8 -6.357 -7.457 -2.843
64 HB2 LYS 8 2HB LYS 8 -8.692 -6.722 -3.272
65 HB3 LYS 8 3HB LYS 8 -8.371 -6.760 -5.006
66 HG2 LYS 8 2HG LYS 8 -9.486 -8.744 -4.410
67 HG3 LYS 8 3HG LYS 8 -7.845 -9.235 -4.788
68 HD2 LYS 8 2HD LYS 8 -7.285 -9.434 -2.407
69 HD3 LYS 8 3HD LYS 8 -8.822 -8.685 -1.946
70 HE2 LYS 8 2HE LYS 8 -9.957 -10.663 -3.168
71 HE3 LYS 8 3HE LYS 8 -8.351 -11.410 -3.233
72 HZ1 LYS 8 1HZ LYS 8 -8.314 -11.211 -0.744
73 HZ2 LYS 8 2HZ LYS 8 -9.844 -10.650 -0.771
74 HZ3 LYS 8 3HZ LYS 8 -9.518 -12.169 -1.273
75 H ASP 9 H ASP 9 -6.493 -6.401 -6.287
76 HA ASP 9 HA ASP 9 -5.087 -8.637 -7.342
77 HB2 ASP 9 2HB ASP 9 -5.619 -5.788 -8.267
78 HB3 ASP 9 3HB ASP 9 -4.619 -6.863 -9.172
79 H ALA 10 H ALA 10 -3.879 -5.808 -5.655
80 HA ALA 10 HA ALA 10 -1.099 -6.432 -6.314
81 HB1 ALA 10 1HB ALA 10 -1.879 -4.108 -6.259
82 HB2 ALA 10 2HB ALA 10 -2.293 -4.295 -4.537
83 HB3 ALA 10 3HB ALA 10 -0.602 -4.388 -5.058
84 H GLY 11 H GLY 11 -3.146 -7.854 -4.125
85 HA2 GLY 11 2HA GLY 11 -2.641 -9.485 -2.631
86 HA3 GLY 11 3HA GLY 11 -0.921 -9.263 -2.946
87 H TYR 12 H TYR 12 -3.169 -6.832 -1.664
88 HA TYR 12 HA TYR 12 -1.381 -6.286 0.467
89 HB2 TYR 12 2HB TYR 12 -2.490 -4.347 0.771
90 HB3 TYR 12 3HB TYR 12 -2.876 -4.672 -0.896
91 HD1 TYR 12 HD1 TYR 12 -5.159 -6.572 -0.764
92 HD2 TYR 12 HD2 TYR 12 -4.210 -3.197 1.754
93 HE1 TYR 12 HE1 TYR 12 -7.577 -6.235 -0.319
94 HE2 TYR 12 HE2 TYR 12 -6.649 -2.905 2.236
95 HH TYR 12 HH TYR 12 -9.141 -4.796 0.559
96 H GLN 13 H GLN 13 -1.940 -5.673 2.599
97 HA GLN 13 HA GLN 13 -3.886 -7.370 4.042
98 HB2 GLN 13 2HB GLN 13 -2.071 -7.562 5.898
99 HB3 GLN 13 3HB GLN 13 -2.045 -8.665 4.546
100 HG2 GLN 13 2HG GLN 13 -0.213 -7.397 3.471
101 HG3 GLN 13 3HG GLN 13 -0.254 -6.221 4.791
102 HE21 GLN 13 1HE2 GLN 13 1.274 -6.422 6.180
103 HE22 GLN 13 2HE2 GLN 13 1.962 -7.932 6.693
104 H GLU 14 H GLU 14 -4.210 -6.571 6.293
105 HA GLU 14 HA GLU 14 -4.680 -3.676 6.231
106 HB2 GLU 14 2HB GLU 14 -6.028 -4.129 8.225
107 HB3 GLU 14 3HB GLU 14 -6.409 -5.188 6.868
108 HG2 GLU 14 2HG GLU 14 -5.138 -7.036 7.880
109 HG3 GLU 14 3HG GLU 14 -4.629 -5.980 9.203
110 H SER 15 H SER 15 -2.028 -5.325 7.150
111 HA SER 15 HA SER 15 -1.128 -3.146 8.928
112 HB2 SER 15 2HB SER 15 0.082 -4.918 10.364
113 HB3 SER 15 3HB SER 15 -1.619 -4.638 10.632
114 HG SER 15 HG SER 15 -1.074 -6.850 10.574
115 HA PRO 16 HA PRO 16 2.757 -3.391 6.801
116 HB2 PRO 16 2HB PRO 16 4.188 -3.548 9.410
117 HB3 PRO 16 3HB PRO 16 4.421 -2.398 8.091
118 HG2 PRO 16 2HG PRO 16 3.127 -1.711 10.410
119 HG3 PRO 16 3HG PRO 16 2.617 -1.062 8.824
120 HD2 PRO 16 2HD PRO 16 1.343 -3.266 10.439
121 HD3 PRO 16 3HD PRO 16 0.601 -2.001 9.430
122 H ASN 17 H ASN 17 4.640 -4.691 6.450
123 HA ASN 17 HA ASN 17 4.683 -7.462 7.582
124 HB2 ASN 17 2HB ASN 17 3.937 -7.654 5.339
125 HB3 ASN 17 3HB ASN 17 4.942 -6.340 4.787
126 HD21 ASN 17 1HD2 ASN 17 5.527 -7.846 3.053
127 HD22 ASN 17 2HD2 ASN 17 6.871 -8.935 3.364
128 H GLY 18 H GLY 18 6.063 -6.746 9.290
129 HA2 GLY 18 2HA GLY 18 8.117 -6.507 10.295
130 HA3 GLY 18 3HA GLY 18 8.848 -7.008 8.769
131 H ALA 19 H ALA 19 9.954 -5.512 7.598
132 HA ALA 19 HA ALA 19 10.197 -2.763 8.602
133 HB1 ALA 19 1HB ALA 19 11.477 -4.195 6.233
134 HB2 ALA 19 2HB ALA 19 11.940 -2.599 6.859
135 HB3 ALA 19 3HB ALA 19 12.163 -4.038 7.865
136 H LYS 20 H LYS 20 8.103 -4.260 6.270
137 HA LYS 20 HA LYS 20 8.026 -1.804 4.561
138 HB2 LYS 20 2HB LYS 20 7.110 -4.607 3.838
139 HB3 LYS 20 3HB LYS 20 7.265 -3.204 2.790
140 HG2 LYS 20 2HG LYS 20 9.235 -4.103 2.221
141 HG3 LYS 20 3HG LYS 20 9.840 -3.336 3.687
142 HD2 LYS 20 2HD LYS 20 9.331 -5.526 4.899
143 HD3 LYS 20 3HD LYS 20 8.927 -6.236 3.341
144 HE2 LYS 20 2HE LYS 20 11.644 -5.088 4.151
145 HE3 LYS 20 3HE LYS 20 11.206 -6.797 4.141
146 HZ1 LYS 20 1HZ LYS 20 10.830 -6.550 1.703
147 HZ2 LYS 20 2HZ LYS 20 11.450 -5.024 1.784
148 HZ3 LYS 20 3HZ LYS 20 12.378 -6.332 2.173
149 H ARG 21 H ARG 21 6.344 -0.514 4.640
150 HA ARG 21 HA ARG 21 3.617 -1.639 4.836
151 HB2 ARG 21 2HB ARG 21 2.925 -0.505 6.583
152 HB3 ARG 21 3HB ARG 21 4.621 -0.463 7.028
153 HG2 ARG 21 2HG ARG 21 4.737 1.889 6.029
154 HG3 ARG 21 3HG ARG 21 2.987 1.801 5.817
155 HD2 ARG 21 2HD ARG 21 2.779 1.183 8.257
156 HD3 ARG 21 3HD ARG 21 4.494 1.565 8.427
157 HE ARG 21 HE ARG 21 2.470 3.551 7.398
158 HH11 ARG 21 1HH1 ARG 21 4.811 2.763 9.958
159 HH12 ARG 21 2HH1 ARG 21 4.956 4.478 10.354
160 HH21 ARG 21 1HH2 ARG 21 2.684 5.700 8.238
161 HH22 ARG 21 2HH2 ARG 21 3.839 5.910 9.532
162 H CYS 22 H CYS 22 1.956 0.193 4.095
163 HA CYS 22 HA CYS 22 2.875 1.702 1.844
164 HB2 CYS 22 2HB CYS 22 0.400 2.105 3.566
165 HB3 CYS 22 3HB CYS 22 0.690 2.756 1.942
166 H GLY 23 H GLY 23 1.484 3.999 3.900
167 HA2 GLY 23 2HA GLY 23 2.194 5.816 5.085
168 HA3 GLY 23 3HA GLY 23 3.533 4.793 5.590
169 H THR 24 H THR 24 5.273 4.630 3.830
170 HA THR 24 HA THR 24 5.500 6.928 1.972
171 HB THR 24 HB THR 24 7.929 5.941 3.519
172 HG1 THR 24 HG1 THR 24 7.887 8.066 4.397
173 HG21 THR 24 1HG2 THR 24 9.031 7.888 2.473
174 HG22 THR 24 2HG2 THR 24 8.398 6.821 1.224
175 HG23 THR 24 3HG2 THR 24 7.525 8.311 1.624
176 H CYS 25 H CYS 25 6.364 3.573 2.878
177 HA CYS 25 HA CYS 25 7.064 1.778 1.710
178 HB2 CYS 25 2HB CYS 25 4.783 1.857 1.005
179 HB3 CYS 25 3HB CYS 25 5.083 3.035 -0.222
180 H ARG 26 H ARG 26 7.358 1.598 -1.143
181 HA ARG 26 HA ARG 26 9.485 3.598 -1.904
182 HB2 ARG 26 2HB ARG 26 8.967 0.801 -2.943
183 HB3 ARG 26 3HB ARG 26 10.094 1.954 -3.684
184 HG2 ARG 26 2HG ARG 26 10.304 0.845 -0.848
185 HG3 ARG 26 3HG ARG 26 11.222 0.275 -2.233
186 HD2 ARG 26 2HD ARG 26 12.384 2.365 -2.471
187 HD3 ARG 26 3HD ARG 26 11.347 3.178 -1.314
188 HE ARG 26 HE ARG 26 13.698 1.647 -0.723
189 HH11 ARG 26 1HH1 ARG 26 10.643 2.623 0.744
190 HH12 ARG 26 2HH1 ARG 26 11.213 2.243 2.341
191 HH21 ARG 26 1HH2 ARG 26 14.343 1.249 1.271
192 HH22 ARG 26 2HH2 ARG 26 13.326 1.681 2.654
193 H GLN 27 H GLN 27 6.264 3.008 -2.001
194 HA GLN 27 HA GLN 27 5.805 4.383 -4.615
195 HB2 GLN 27 2HB GLN 27 4.663 1.806 -3.487
196 HB3 GLN 27 3HB GLN 27 3.977 2.602 -4.892
197 HG2 GLN 27 2HG GLN 27 6.880 1.664 -4.822
198 HG3 GLN 27 3HG GLN 27 5.550 0.654 -5.313
199 HE21 GLN 27 1HE2 GLN 27 4.347 1.181 -7.221
200 HE22 GLN 27 2HE2 GLN 27 5.175 2.061 -8.497
201 H PHE 28 H PHE 28 5.024 4.852 -1.319
202 HA PHE 28 HA PHE 28 2.143 5.028 -1.683
203 HB2 PHE 28 2HB PHE 28 3.278 4.478 0.494
204 HB3 PHE 28 3HB PHE 28 3.755 6.165 0.601
205 HD1 PHE 28 HD1 PHE 28 0.622 4.099 0.016
206 HD2 PHE 28 HD2 PHE 28 2.360 7.589 1.833
207 HE1 PHE 28 HE1 PHE 28 -1.507 4.550 1.191
208 HE2 PHE 28 HE2 PHE 28 0.212 8.055 3.000
209 HZ PHE 28 HZ PHE 28 -1.730 6.540 2.667
210 H ARG 29 H ARG 29 0.798 6.868 -1.600
211 HA ARG 29 HA ARG 29 1.992 9.501 -2.406
212 HB2 ARG 29 2HB ARG 29 1.360 8.130 -4.378
213 HB3 ARG 29 3HB ARG 29 -0.258 7.958 -3.749
214 HG2 ARG 29 2HG ARG 29 -0.418 9.570 -5.425
215 HG3 ARG 29 3HG ARG 29 -0.514 10.473 -3.911
216 HD2 ARG 29 2HD ARG 29 1.914 11.018 -4.134
217 HD3 ARG 29 3HD ARG 29 1.981 10.112 -5.635
218 HE ARG 29 HE ARG 29 0.987 11.833 -6.809
219 HH11 ARG 29 1HH1 ARG 29 0.772 12.794 -3.398
220 HH12 ARG 29 2HH1 ARG 29 -0.113 14.237 -3.858
221 HH21 ARG 29 1HH2 ARG 29 -0.246 13.694 -7.151
222 HH22 ARG 29 2HH2 ARG 29 -0.551 14.737 -5.768
223 HA PRO 30 HA PRO 30 -0.671 9.793 1.348
224 HB2 PRO 30 2HB PRO 30 0.874 12.403 1.374
225 HB3 PRO 30 3HB PRO 30 0.348 11.408 2.768
226 HG2 PRO 30 2HG PRO 30 2.871 11.225 1.840
227 HG3 PRO 30 3HG PRO 30 1.975 9.752 2.308
228 HD2 PRO 30 2HD PRO 30 2.562 10.823 -0.439
229 HD3 PRO 30 3HD PRO 30 2.471 9.140 0.112
230 HA PRO 31 HA PRO 31 -1.838 10.918 2.975
231 HB2 PRO 31 2HB PRO 31 -4.312 11.404 3.860
232 HB3 PRO 31 3HB PRO 31 -3.158 12.738 3.569
233 HG2 PRO 31 2HG PRO 31 -5.315 11.734 1.670
234 HG3 PRO 31 3HG PRO 31 -5.048 13.417 2.237
235 HD2 PRO 31 2HD PRO 31 -4.013 12.500 -0.122
236 HD3 PRO 31 3HD PRO 31 -3.124 13.654 0.905
237 H SER 32 H SER 32 -3.729 9.790 0.277
238 HA SER 32 HA SER 32 -4.188 7.158 1.587
239 HB2 SER 32 2HB SER 32 -6.597 7.268 1.183
240 HB3 SER 32 3HB SER 32 -6.089 8.601 2.225
241 HG SER 32 HG SER 32 -7.505 9.247 0.556
242 H SER 33 H SER 33 -2.730 8.214 -0.982
243 HA SER 33 HA SER 33 -4.050 6.351 -2.923
244 HB2 SER 33 2HB SER 33 -2.430 8.835 -3.571
245 HB3 SER 33 3HB SER 33 -3.154 7.714 -4.727
246 HG SER 33 HG SER 33 -4.551 9.338 -2.844
247 H CYS 34 H CYS 34 -2.464 5.447 -4.558
248 HA CYS 34 HA CYS 34 0.317 5.211 -3.551
249 HB2 CYS 34 2HB CYS 34 -0.781 3.384 -2.468
250 HB3 CYS 34 3HB CYS 34 -1.624 2.915 -3.940
251 H ILE 35 H ILE 35 1.825 4.574 -5.041
252 HA ILE 35 HA ILE 35 1.254 5.267 -7.848
253 HB ILE 35 HB ILE 35 3.825 4.548 -6.395
254 HG12 ILE 35 2HG1 ILE 35 2.793 7.234 -7.444
255 HG13 ILE 35 3HG1 ILE 35 2.704 6.739 -5.761
256 HG21 ILE 35 1HG2 ILE 35 3.582 5.686 -9.202
257 HG22 ILE 35 2HG2 ILE 35 5.072 5.279 -8.338
258 HG23 ILE 35 3HG2 ILE 35 3.995 4.000 -8.843
259 HD11 ILE 35 1HD1 ILE 35 4.550 8.234 -6.019
260 HD12 ILE 35 2HD1 ILE 35 5.173 6.619 -5.637
261 HD13 ILE 35 3HD1 ILE 35 5.265 7.256 -7.301
262 H THR 36 H THR 36 1.487 2.359 -5.902
263 HA THR 36 HA THR 36 1.504 0.611 -8.328
264 HB THR 36 HB THR 36 1.163 -0.238 -5.443
265 HG1 THR 36 HG1 THR 36 3.084 0.026 -5.112
266 HG21 THR 36 1HG2 THR 36 2.276 -1.713 -7.874
267 HG22 THR 36 2HG2 THR 36 2.091 -2.354 -6.223
268 HG23 THR 36 3HG2 THR 36 0.659 -1.960 -7.177
269 H VAL 37 H VAL 37 -0.582 1.662 -5.659
270 HA VAL 37 HA VAL 37 -2.825 -0.043 -6.623
271 HB VAL 37 HB VAL 37 -1.590 0.599 -3.942
272 HG11 VAL 37 1HG1 VAL 37 -4.324 -0.665 -4.265
273 HG12 VAL 37 2HG1 VAL 37 -3.330 -0.627 -2.780
274 HG13 VAL 37 3HG1 VAL 37 -3.944 0.873 -3.435
275 HG21 VAL 37 1HG2 VAL 37 -2.462 -1.979 -5.298
276 HG22 VAL 37 2HG2 VAL 37 -0.797 -1.363 -5.243
277 HG23 VAL 37 3HG2 VAL 37 -1.582 -1.847 -3.750
278 H GLU 38 H GLU 38 -4.969 0.527 -6.258
279 HA GLU 38 HA GLU 38 -5.818 3.184 -6.720
280 HB2 GLU 38 2HB GLU 38 -7.112 0.645 -5.760
281 HB3 GLU 38 3HB GLU 38 -8.017 2.114 -5.610
282 HG2 GLU 38 2HG GLU 38 -6.854 1.091 -8.216
283 HG3 GLU 38 3HG GLU 38 -8.503 0.815 -7.685
284 H SER 39 H SER 39 -7.100 4.577 -5.552
285 HA SER 39 HA SER 39 -6.611 4.811 -2.630
286 HB2 SER 39 2HB SER 39 -5.837 6.641 -4.128
287 HB3 SER 39 3HB SER 39 -7.514 6.875 -4.626
288 HG SER 39 HG SER 39 -6.433 7.149 -2.014
289 HA PRO 40 HA PRO 40 -7.638 5.832 -0.816
290 HB2 PRO 40 2HB PRO 40 -9.118 5.212 1.359
291 HB3 PRO 40 3HB PRO 40 -9.428 6.642 0.328
292 HG2 PRO 40 2HG PRO 40 -10.821 3.953 0.242
293 HG3 PRO 40 3HG PRO 40 -11.559 5.583 0.242
294 HD2 PRO 40 2HD PRO 40 -11.135 4.172 -2.076
295 HD3 PRO 40 3HD PRO 40 -11.004 5.949 -2.010
296 H ILE 41 H ILE 41 -5.963 4.741 -0.113
297 HA ILE 41 HA ILE 41 -6.167 1.899 0.767
298 HB ILE 41 HB ILE 41 -4.934 1.886 -1.237
299 HG12 ILE 41 2HG1 ILE 41 -2.669 1.174 -0.648
300 HG13 ILE 41 3HG1 ILE 41 -2.857 1.798 0.984
301 HG21 ILE 41 1HG2 ILE 41 -2.863 3.249 -1.598
302 HG22 ILE 41 2HG2 ILE 41 -4.352 4.171 -1.609
303 HG23 ILE 41 3HG2 ILE 41 -3.299 4.217 -0.173
304 HD11 ILE 41 1HD1 ILE 41 -3.173 -0.697 0.698
305 HD12 ILE 41 2HD1 ILE 41 -4.542 0.101 1.475
306 HD13 ILE 41 3HD1 ILE 41 -4.644 -0.356 -0.237
307 H SER 42 H SER 42 -5.226 1.383 2.702
308 HA SER 42 HA SER 42 -5.034 3.376 4.728
309 HB2 SER 42 2HB SER 42 -5.634 1.019 5.131
310 HB3 SER 42 3HB SER 42 -3.996 0.513 4.709
311 HG SER 42 HG SER 42 -4.392 0.740 7.007
312 H GLU 43 H GLU 43 -3.274 4.294 5.823
313 HA GLU 43 HA GLU 43 -0.804 4.490 4.302
314 HB2 GLU 43 2HB GLU 43 -0.110 6.066 5.891
315 HB3 GLU 43 3HB GLU 43 -1.772 6.430 5.421
316 HG2 GLU 43 2HG GLU 43 -2.607 5.263 7.466
317 HG3 GLU 43 3HG GLU 43 -0.950 5.048 7.981
318 H ASN 44 H ASN 44 -1.779 2.023 6.153
319 HA ASN 44 HA ASN 44 1.039 1.163 6.447
320 HB2 ASN 44 2HB ASN 44 0.673 0.177 8.616
321 HB3 ASN 44 3HB ASN 44 0.188 1.868 8.688
322 HD21 ASN 44 1HD2 ASN 44 -1.805 2.387 9.332
323 HD22 ASN 44 2HD2 ASN 44 -2.954 1.135 9.742
324 H GLY 45 H GLY 45 -1.575 0.572 4.673
325 HA2 GLY 45 2HA GLY 45 -2.101 -2.230 5.172
326 HA3 GLY 45 3HA GLY 45 -2.812 -1.206 3.925
327 H TRP 46 H TRP 46 0.443 -2.515 4.612
328 HA TRP 46 HA TRP 46 1.659 -2.299 2.217
329 HB2 TRP 46 2HB TRP 46 2.667 -3.294 4.285
330 HB3 TRP 46 3HB TRP 46 1.775 -4.753 3.999
331 HD1 TRP 46 HD1 TRP 46 4.447 -2.674 2.082
332 HE1 TRP 46 HE1 TRP 46 5.847 -4.260 0.647
333 HE3 TRP 46 HE3 TRP 46 2.049 -7.056 3.114
334 HZ2 TRP 46 HZ2 TRP 46 6.055 -7.108 0.185
335 HZ3 TRP 46 HZ3 TRP 46 2.809 -9.191 2.084
336 HH2 TRP 46 HH2 TRP 46 4.810 -9.219 0.618
337 H CYS 47 H CYS 47 1.728 -3.111 0.197
338 HA CYS 47 HA CYS 47 0.133 -5.523 -0.476
339 HB2 CYS 47 2HB CYS 47 -0.408 -4.608 -2.539
340 HB3 CYS 47 3HB CYS 47 -0.444 -3.180 -1.488
341 H ARG 48 H ARG 48 0.864 -6.947 -2.059
342 HA ARG 48 HA ARG 48 3.667 -7.653 -1.700
343 HB2 ARG 48 2HB ARG 48 1.320 -9.064 -2.176
344 HB3 ARG 48 3HB ARG 48 2.063 -9.103 -3.767
345 HG2 ARG 48 2HG ARG 48 3.348 -9.943 -1.144
346 HG3 ARG 48 3HG ARG 48 2.598 -11.044 -2.317
347 HD2 ARG 48 2HD ARG 48 4.311 -10.226 -4.018
348 HD3 ARG 48 3HD ARG 48 5.150 -9.433 -2.666
349 HE ARG 48 HE ARG 48 4.738 -12.110 -1.895
350 HH11 ARG 48 1HH1 ARG 48 6.659 -10.511 -4.423
351 HH12 ARG 48 2HH1 ARG 48 7.744 -11.905 -4.472
352 HH21 ARG 48 1HH2 ARG 48 6.133 -13.782 -2.199
353 HH22 ARG 48 2HH2 ARG 48 7.514 -13.568 -3.288
354 H LEU 49 H LEU 49 1.884 -5.854 -4.105
355 HA LEU 49 HA LEU 49 4.019 -6.243 -6.114
356 HB2 LEU 49 2HB LEU 49 1.405 -4.732 -6.308
357 HB3 LEU 49 3HB LEU 49 2.590 -4.864 -7.602
358 HG LEU 49 HG LEU 49 0.949 -7.124 -6.415
359 HD11 LEU 49 1HD1 LEU 49 0.030 -7.239 -8.677
360 HD12 LEU 49 2HD1 LEU 49 -0.123 -5.570 -8.095
361 HD13 LEU 49 3HD1 LEU 49 1.158 -5.988 -9.242
362 HD21 LEU 49 1HD2 LEU 49 3.108 -8.105 -6.895
363 HD22 LEU 49 2HD2 LEU 49 1.982 -8.564 -8.171
364 HD23 LEU 49 3HD2 LEU 49 3.175 -7.285 -8.477
365 H TYR 50 H TYR 50 3.857 -4.272 -3.501
366 HA TYR 50 HA TYR 50 4.843 -1.841 -4.335
367 HB2 TYR 50 2HB TYR 50 5.455 -1.523 -2.191
368 HB3 TYR 50 3HB TYR 50 4.368 -2.868 -1.956
369 HD1 TYR 50 HD1 TYR 50 5.681 -5.300 -2.235
370 HD2 TYR 50 HD2 TYR 50 7.483 -1.557 -1.094
371 HE1 TYR 50 HE1 TYR 50 7.644 -6.523 -1.315
372 HE2 TYR 50 HE2 TYR 50 9.391 -2.787 -0.082
373 HH TYR 50 HH TYR 50 9.605 -6.351 -0.153
374 H ALA 51 H ALA 51 6.989 -0.926 -4.397
375 HA ALA 51 HA ALA 51 8.482 -2.348 -6.356
376 HB1 ALA 51 1HB ALA 51 9.093 0.326 -5.056
377 HB2 ALA 51 2HB ALA 51 9.787 -0.292 -6.552
378 HB3 ALA 51 3HB ALA 51 8.060 0.055 -6.476
379 H GLY 52 H GLY 52 10.231 -3.565 -6.281
380 HA2 GLY 52 2HA GLY 52 11.439 -4.568 -3.949
381 HA3 GLY 52 3HA GLY 52 12.065 -4.703 -5.596
382 H LYS 53 H LYS 53 11.983 -1.531 -5.005
383 HA LYS 53 HA LYS 53 14.687 -0.942 -5.067
384 HB2 LYS 53 2HB LYS 53 12.135 0.567 -4.459
385 HB3 LYS 53 3HB LYS 53 13.677 1.367 -4.220
386 HG2 LYS 53 2HG LYS 53 12.506 1.805 -6.386
387 HG3 LYS 53 3HG LYS 53 14.219 1.378 -6.483
388 HD2 LYS 53 2HD LYS 53 13.649 -0.929 -7.156
389 HD3 LYS 53 3HD LYS 53 11.924 -0.554 -7.019
390 HE2 LYS 53 2HE LYS 53 12.215 1.166 -8.829
391 HE3 LYS 53 3HE LYS 53 13.914 0.684 -8.962
392 HZ1 LYS 53 1HZ LYS 53 13.078 -1.619 -9.403
393 HZ2 LYS 53 2HZ LYS 53 11.553 -1.045 -9.456
394 HZ3 LYS 53 3HZ LYS 53 12.657 -0.550 -10.580
395 H ALA 54 H ALA 54 15.996 -0.223 -3.789
396 HA ALA 54 HA ALA 54 16.454 -1.366 -1.256
397 HB1 ALA 54 1HB ALA 54 18.463 0.078 -1.168
398 HB2 ALA 54 2HB ALA 54 18.249 -0.615 -2.786
399 HB3 ALA 54 3HB ALA 54 17.811 1.081 -2.474
Start of MODEL 2
1 H1 VAL 1 1H VAL 1 -7.821 10.170 -17.179
2 H2 VAL 1 2H VAL 1 -6.656 11.321 -17.083
3 H3 VAL 1 3H VAL 1 -7.432 10.806 -15.731
4 HA VAL 1 HA VAL 1 -5.493 9.344 -17.390
5 HB VAL 1 HB VAL 1 -4.259 8.968 -15.333
6 HG11 VAL 1 1HG1 VAL 1 -4.891 11.934 -15.688
7 HG12 VAL 1 2HG1 VAL 1 -3.447 11.236 -14.939
8 HG13 VAL 1 3HG1 VAL 1 -3.740 10.986 -16.658
9 HG21 VAL 1 1HG2 VAL 1 -6.079 8.994 -13.655
10 HG22 VAL 1 2HG2 VAL 1 -4.793 10.127 -13.239
11 HG23 VAL 1 3HG2 VAL 1 -6.309 10.740 -13.921
12 H THR 2 H THR 2 -5.160 7.073 -17.055
13 HA THR 2 HA THR 2 -7.682 5.686 -16.718
14 HB THR 2 HB THR 2 -4.953 4.377 -16.889
15 HG1 THR 2 HG1 THR 2 -4.815 4.958 -18.825
16 HG21 THR 2 1HG2 THR 2 -7.781 3.537 -17.678
17 HG22 THR 2 2HG2 THR 2 -6.320 2.672 -18.181
18 HG23 THR 2 3HG2 THR 2 -6.724 2.781 -16.461
19 H LYS 3 H LYS 3 -8.482 4.613 -14.982
20 HA LYS 3 HA LYS 3 -7.555 5.137 -12.389
21 HB2 LYS 3 2HB LYS 3 -9.872 4.166 -13.410
22 HB3 LYS 3 3HB LYS 3 -9.183 2.647 -12.878
23 HG2 LYS 3 2HG LYS 3 -10.542 3.396 -11.122
24 HG3 LYS 3 3HG LYS 3 -8.895 3.710 -10.565
25 HD2 LYS 3 2HD LYS 3 -9.132 6.075 -10.875
26 HD3 LYS 3 3HD LYS 3 -10.487 5.866 -11.987
27 HE2 LYS 3 2HE LYS 3 -11.395 6.709 -9.977
28 HE3 LYS 3 3HE LYS 3 -11.913 5.028 -10.150
29 HZ1 LYS 3 1HZ LYS 3 -9.738 6.002 -8.378
30 HZ2 LYS 3 2HZ LYS 3 -11.224 5.499 -7.902
31 HZ3 LYS 3 3HZ LYS 3 -10.168 4.414 -8.541
32 H LYS 4 H LYS 4 -6.350 4.149 -10.873
33 HA LYS 4 HA LYS 4 -4.294 2.318 -11.572
34 HB2 LYS 4 2HB LYS 4 -5.378 3.203 -8.878
35 HB3 LYS 4 3HB LYS 4 -4.013 2.089 -8.995
36 HG2 LYS 4 2HG LYS 4 -3.977 4.605 -10.561
37 HG3 LYS 4 3HG LYS 4 -3.598 4.676 -8.826
38 HD2 LYS 4 2HD LYS 4 -1.687 3.096 -9.284
39 HD3 LYS 4 3HD LYS 4 -2.112 3.156 -11.020
40 HE2 LYS 4 2HE LYS 4 -2.021 5.708 -10.801
41 HE3 LYS 4 3HE LYS 4 -1.300 5.466 -9.215
42 HZ1 LYS 4 1HZ LYS 4 0.526 4.276 -10.349
43 HZ2 LYS 4 2HZ LYS 4 -0.144 4.577 -11.818
44 HZ3 LYS 4 3HZ LYS 4 0.402 5.821 -10.896
45 H ALA 5 H ALA 5 -3.780 0.470 -10.626
46 HA ALA 5 HA ALA 5 -5.624 -1.765 -10.954
47 HB1 ALA 5 1HB ALA 5 -2.898 -1.670 -9.577
48 HB2 ALA 5 2HB ALA 5 -3.765 -3.132 -10.084
49 HB3 ALA 5 3HB ALA 5 -3.174 -1.985 -11.309
50 H SER 6 H SER 6 -6.424 -3.250 -9.260
51 HA SER 6 HA SER 6 -7.257 -1.785 -6.873
52 HB2 SER 6 2HB SER 6 -8.379 -3.828 -6.179
53 HB3 SER 6 3HB SER 6 -8.830 -3.316 -7.812
54 HG SER 6 HG SER 6 -8.493 -5.417 -8.033
55 H HIS 7 H HIS 7 -6.651 -2.101 -4.766
56 HA HIS 7 HA HIS 7 -3.935 -2.960 -4.212
57 HB2 HIS 7 2HB HIS 7 -4.806 -2.715 -1.797
58 HB3 HIS 7 3HB HIS 7 -4.745 -1.286 -2.806
59 HD2 HIS 7 HD2 HIS 7 -6.847 0.138 -2.989
60 HE1 HIS 7 HE1 HIS 7 -9.752 -2.705 -1.698
61 HE2 HIS 7 HE2 HIS 7 -9.363 -0.272 -2.249
62 H LYS 8 H LYS 8 -6.984 -4.510 -4.185
63 HA LYS 8 HA LYS 8 -6.355 -7.071 -3.078
64 HB2 LYS 8 2HB LYS 8 -8.243 -6.454 -5.397
65 HB3 LYS 8 3HB LYS 8 -8.259 -7.886 -4.372
66 HG2 LYS 8 2HG LYS 8 -8.924 -5.027 -3.547
67 HG3 LYS 8 3HG LYS 8 -9.995 -6.396 -3.788
68 HD2 LYS 8 2HD LYS 8 -8.704 -7.585 -1.895
69 HD3 LYS 8 3HD LYS 8 -7.841 -6.082 -1.653
70 HE2 LYS 8 2HE LYS 8 -9.458 -6.095 0.014
71 HE3 LYS 8 3HE LYS 8 -10.028 -4.930 -1.183
72 HZ1 LYS 8 1HZ LYS 8 -11.645 -6.515 -1.927
73 HZ2 LYS 8 2HZ LYS 8 -11.006 -7.743 -1.035
74 HZ3 LYS 8 3HZ LYS 8 -11.736 -6.494 -0.285
75 H ASP 9 H ASP 9 -6.435 -6.195 -6.538
76 HA ASP 9 HA ASP 9 -5.128 -8.380 -7.684
77 HB2 ASP 9 2HB ASP 9 -5.940 -6.343 -8.932
78 HB3 ASP 9 3HB ASP 9 -4.493 -5.515 -8.410
79 H ALA 10 H ALA 10 -3.517 -5.515 -6.323
80 HA ALA 10 HA ALA 10 -0.855 -6.533 -6.508
81 HB1 ALA 10 1HB ALA 10 -1.996 -4.302 -4.807
82 HB2 ALA 10 2HB ALA 10 -0.282 -4.522 -5.220
83 HB3 ALA 10 3HB ALA 10 -1.454 -4.160 -6.499
84 H GLY 11 H GLY 11 -3.202 -7.418 -4.160
85 HA2 GLY 11 2HA GLY 11 -2.898 -9.226 -2.755
86 HA3 GLY 11 3HA GLY 11 -1.161 -9.036 -2.791
87 H TYR 12 H TYR 12 -3.088 -6.242 -1.905
88 HA TYR 12 HA TYR 12 -1.588 -5.916 0.451
89 HB2 TYR 12 2HB TYR 12 -2.302 -3.828 0.392
90 HB3 TYR 12 3HB TYR 12 -3.068 -4.236 -1.116
91 HD1 TYR 12 HD1 TYR 12 -5.577 -5.245 -0.850
92 HD2 TYR 12 HD2 TYR 12 -3.531 -2.915 2.143
93 HE1 TYR 12 HE1 TYR 12 -7.754 -4.678 0.219
94 HE2 TYR 12 HE2 TYR 12 -5.705 -2.399 3.226
95 HH TYR 12 HH TYR 12 -8.830 -3.501 1.866
96 H GLN 13 H GLN 13 -2.263 -5.288 2.554
97 HA GLN 13 HA GLN 13 -4.329 -6.963 3.870
98 HB2 GLN 13 2HB GLN 13 -2.600 -7.496 5.642
99 HB3 GLN 13 3HB GLN 13 -2.382 -8.282 4.108
100 HG2 GLN 13 2HG GLN 13 -0.643 -6.436 3.535
101 HG3 GLN 13 3HG GLN 13 -0.772 -5.989 5.232
102 HE21 GLN 13 1HE2 GLN 13 1.294 -6.361 5.687
103 HE22 GLN 13 2HE2 GLN 13 1.868 -8.008 5.865
104 H GLU 14 H GLU 14 -4.576 -6.274 6.258
105 HA GLU 14 HA GLU 14 -5.016 -3.420 6.253
106 HB2 GLU 14 2HB GLU 14 -6.225 -3.703 8.196
107 HB3 GLU 14 3HB GLU 14 -6.428 -5.262 7.400
108 HG2 GLU 14 2HG GLU 14 -4.646 -6.206 8.872
109 HG3 GLU 14 3HG GLU 14 -4.487 -4.647 9.669
110 H SER 15 H SER 15 -2.127 -5.086 6.969
111 HA SER 15 HA SER 15 -1.118 -2.866 8.625
112 HB2 SER 15 2HB SER 15 -0.382 -4.653 10.395
113 HB3 SER 15 3HB SER 15 -1.994 -3.969 10.447
114 HG SER 15 HG SER 15 -1.832 -6.328 10.642
115 HA PRO 16 HA PRO 16 2.675 -3.393 6.844
116 HB2 PRO 16 2HB PRO 16 4.165 -3.403 9.427
117 HB3 PRO 16 3HB PRO 16 4.317 -2.299 8.051
118 HG2 PRO 16 2HG PRO 16 3.025 -1.638 10.413
119 HG3 PRO 16 3HG PRO 16 2.582 -0.948 8.829
120 HD2 PRO 16 2HD PRO 16 1.129 -3.018 10.422
121 HD3 PRO 16 3HD PRO 16 0.541 -1.848 9.221
122 H ASN 17 H ASN 17 4.112 -4.834 6.085
123 HA ASN 17 HA ASN 17 4.390 -7.552 7.268
124 HB2 ASN 17 2HB ASN 17 3.878 -7.521 4.927
125 HB3 ASN 17 3HB ASN 17 5.063 -6.279 4.601
126 HD21 ASN 17 1HD2 ASN 17 5.570 -7.942 2.885
127 HD22 ASN 17 2HD2 ASN 17 6.835 -9.080 3.305
128 H GLY 18 H GLY 18 5.365 -6.662 9.137
129 HA2 GLY 18 2HA GLY 18 7.109 -6.169 10.543
130 HA3 GLY 18 3HA GLY 18 8.147 -6.904 9.334
131 H ALA 19 H ALA 19 9.492 -5.605 8.164
132 HA ALA 19 HA ALA 19 9.809 -2.796 8.922
133 HB1 ALA 19 1HB ALA 19 11.270 -4.513 6.874
134 HB2 ALA 19 2HB ALA 19 11.793 -2.931 7.480
135 HB3 ALA 19 3HB ALA 19 11.724 -4.318 8.586
136 H LYS 20 H LYS 20 8.060 -4.371 6.337
137 HA LYS 20 HA LYS 20 8.110 -1.908 4.643
138 HB2 LYS 20 2HB LYS 20 7.025 -4.644 3.871
139 HB3 LYS 20 3HB LYS 20 7.242 -3.229 2.854
140 HG2 LYS 20 2HG LYS 20 9.101 -4.376 2.212
141 HG3 LYS 20 3HG LYS 20 9.803 -3.482 3.572
142 HD2 LYS 20 2HD LYS 20 9.383 -5.459 5.022
143 HD3 LYS 20 3HD LYS 20 8.716 -6.335 3.644
144 HE2 LYS 20 2HE LYS 20 10.825 -6.343 2.495
145 HE3 LYS 20 3HE LYS 20 11.563 -5.231 3.654
146 HZ1 LYS 20 1HZ LYS 20 11.672 -6.920 5.267
147 HZ2 LYS 20 2HZ LYS 20 10.493 -7.814 4.588
148 HZ3 LYS 20 3HZ LYS 20 11.981 -7.786 3.910
149 H ARG 21 H ARG 21 6.464 -0.617 4.545
150 HA ARG 21 HA ARG 21 3.708 -1.584 5.034
151 HB2 ARG 21 2HB ARG 21 3.217 -0.296 6.734
152 HB3 ARG 21 3HB ARG 21 4.931 -0.251 7.046
153 HG2 ARG 21 2HG ARG 21 5.001 1.996 5.849
154 HG3 ARG 21 3HG ARG 21 3.236 1.916 5.741
155 HD2 ARG 21 2HD ARG 21 3.405 1.410 8.348
156 HD3 ARG 21 3HD ARG 21 4.969 2.232 8.186
157 HE ARG 21 HE ARG 21 2.862 3.723 6.889
158 HH11 ARG 21 1HH1 ARG 21 3.586 2.887 10.227
159 HH12 ARG 21 2HH1 ARG 21 2.805 4.353 10.791
160 HH21 ARG 21 1HH2 ARG 21 2.113 5.605 7.695
161 HH22 ARG 21 2HH2 ARG 21 2.184 5.873 9.418
162 H CYS 22 H CYS 22 2.172 0.338 4.238
163 HA CYS 22 HA CYS 22 3.146 1.509 1.738
164 HB2 CYS 22 2HB CYS 22 0.626 2.095 3.346
165 HB3 CYS 22 3HB CYS 22 1.009 2.681 1.715
166 H GLY 23 H GLY 23 1.749 3.957 3.614
167 HA2 GLY 23 2HA GLY 23 2.434 5.871 4.637
168 HA3 GLY 23 3HA GLY 23 3.651 4.833 5.368
169 H THR 24 H THR 24 5.578 4.456 3.883
170 HA THR 24 HA THR 24 6.330 6.777 2.163
171 HB THR 24 HB THR 24 8.705 5.979 2.437
172 HG1 THR 24 HG1 THR 24 9.218 4.765 4.161
173 HG21 THR 24 1HG2 THR 24 7.346 6.998 4.973
174 HG22 THR 24 2HG2 THR 24 9.084 7.087 4.609
175 HG23 THR 24 3HG2 THR 24 7.932 7.994 3.621
176 H CYS 25 H CYS 25 6.841 3.240 2.631
177 HA CYS 25 HA CYS 25 7.454 1.587 1.163
178 HB2 CYS 25 2HB CYS 25 5.140 1.508 0.793
179 HB3 CYS 25 3HB CYS 25 5.125 2.905 -0.246
180 H ARG 26 H ARG 26 7.640 1.511 -1.616
181 HA ARG 26 HA ARG 26 9.504 3.733 -2.440
182 HB2 ARG 26 2HB ARG 26 8.621 1.151 -3.772
183 HB3 ARG 26 3HB ARG 26 9.388 2.461 -4.656
184 HG2 ARG 26 2HG ARG 26 11.335 2.355 -3.033
185 HG3 ARG 26 3HG ARG 26 10.602 0.893 -2.360
186 HD2 ARG 26 2HD ARG 26 12.249 0.199 -3.960
187 HD3 ARG 26 3HD ARG 26 10.672 -0.140 -4.656
188 HE ARG 26 HE ARG 26 10.980 1.586 -6.270
189 HH11 ARG 26 1HH1 ARG 26 13.730 1.571 -4.049
190 HH12 ARG 26 2HH1 ARG 26 14.583 2.751 -4.987
191 HH21 ARG 26 1HH2 ARG 26 12.273 2.896 -7.555
192 HH22 ARG 26 2HH2 ARG 26 13.890 3.266 -7.013
193 H GLN 27 H GLN 27 6.186 2.800 -2.453
194 HA GLN 27 HA GLN 27 5.558 4.483 -4.828
195 HB2 GLN 27 2HB GLN 27 4.329 2.010 -3.606
196 HB3 GLN 27 3HB GLN 27 3.726 2.766 -5.068
197 HG2 GLN 27 2HG GLN 27 6.579 1.682 -4.873
198 HG3 GLN 27 3HG GLN 27 5.189 0.706 -5.283
199 HE21 GLN 27 1HE2 GLN 27 3.952 1.208 -7.191
200 HE22 GLN 27 2HE2 GLN 27 4.765 1.953 -8.561
201 H PHE 28 H PHE 28 4.857 4.672 -1.436
202 HA PHE 28 HA PHE 28 2.037 4.981 -1.645
203 HB2 PHE 28 2HB PHE 28 3.268 4.473 0.467
204 HB3 PHE 28 3HB PHE 28 3.822 6.146 0.511
205 HD1 PHE 28 HD1 PHE 28 0.628 4.157 0.163
206 HD2 PHE 28 HD2 PHE 28 2.492 7.741 1.669
207 HE1 PHE 28 HE1 PHE 28 -1.476 4.767 1.321
208 HE2 PHE 28 HE2 PHE 28 0.378 8.356 2.815
209 HZ PHE 28 HZ PHE 28 -1.610 6.874 2.634
210 H ARG 29 H ARG 29 0.655 6.756 -1.624
211 HA ARG 29 HA ARG 29 1.804 9.409 -2.385
212 HB2 ARG 29 2HB ARG 29 1.113 8.163 -4.395
213 HB3 ARG 29 3HB ARG 29 -0.490 7.931 -3.721
214 HG2 ARG 29 2HG ARG 29 -0.588 9.679 -5.348
215 HG3 ARG 29 3HG ARG 29 -0.864 10.386 -3.750
216 HD2 ARG 29 2HD ARG 29 1.526 11.085 -3.693
217 HD3 ARG 29 3HD ARG 29 1.765 10.399 -5.302
218 HE ARG 29 HE ARG 29 -0.339 12.145 -5.710
219 HH11 ARG 29 1HH1 ARG 29 2.892 12.682 -4.365
220 HH12 ARG 29 2HH1 ARG 29 2.840 14.367 -4.898
221 HH21 ARG 29 1HH2 ARG 29 -0.116 14.302 -6.442
222 HH22 ARG 29 2HH2 ARG 29 1.336 15.158 -5.959
223 HA PRO 30 HA PRO 30 -0.787 9.953 1.305
224 HB2 PRO 30 2HB PRO 30 0.394 12.727 1.045
225 HB3 PRO 30 3HB PRO 30 0.130 11.754 2.526
226 HG2 PRO 30 2HG PRO 30 2.595 11.888 1.428
227 HG3 PRO 30 3HG PRO 30 1.961 10.305 1.982
228 HD2 PRO 30 2HD PRO 30 2.041 11.418 -0.835
229 HD3 PRO 30 3HD PRO 30 2.471 9.781 -0.252
230 HA PRO 31 HA PRO 31 -2.201 11.151 2.741
231 HB2 PRO 31 2HB PRO 31 -4.793 11.287 3.453
232 HB3 PRO 31 3HB PRO 31 -3.840 12.741 3.027
233 HG2 PRO 31 2HG PRO 31 -5.739 11.180 1.242
234 HG3 PRO 31 3HG PRO 31 -5.702 12.948 1.530
235 HD2 PRO 31 2HD PRO 31 -4.444 11.770 -0.618
236 HD3 PRO 31 3HD PRO 31 -3.809 13.228 0.183
237 H SER 32 H SER 32 -4.166 9.387 0.365
238 HA SER 32 HA SER 32 -3.795 6.826 1.776
239 HB2 SER 32 2HB SER 32 -6.205 6.346 1.864
240 HB3 SER 32 3HB SER 32 -5.769 7.719 2.882
241 HG SER 32 HG SER 32 -7.661 8.058 1.680
242 H SER 33 H SER 33 -2.837 7.823 -0.772
243 HA SER 33 HA SER 33 -4.185 6.005 -2.734
244 HB2 SER 33 2HB SER 33 -2.782 8.658 -3.203
245 HB3 SER 33 3HB SER 33 -3.314 7.571 -4.474
246 HG SER 33 HG SER 33 -5.022 8.831 -2.568
247 H CYS 34 H CYS 34 -2.537 5.466 -4.571
248 HA CYS 34 HA CYS 34 0.276 5.267 -3.629
249 HB2 CYS 34 2HB CYS 34 -0.780 3.356 -2.625
250 HB3 CYS 34 3HB CYS 34 -1.592 2.940 -4.128
251 H ILE 35 H ILE 35 1.771 4.642 -5.227
252 HA ILE 35 HA ILE 35 1.086 5.391 -8.000
253 HB ILE 35 HB ILE 35 3.683 4.517 -6.693
254 HG12 ILE 35 2HG1 ILE 35 2.782 7.253 -7.725
255 HG13 ILE 35 3HG1 ILE 35 2.743 6.784 -6.034
256 HG21 ILE 35 1HG2 ILE 35 3.688 3.908 -9.112
257 HG22 ILE 35 2HG2 ILE 35 3.264 5.579 -9.524
258 HG23 ILE 35 3HG2 ILE 35 4.820 5.193 -8.767
259 HD11 ILE 35 1HD1 ILE 35 5.237 7.137 -7.727
260 HD12 ILE 35 2HD1 ILE 35 4.691 8.112 -6.358
261 HD13 ILE 35 3HD1 ILE 35 5.228 6.445 -6.085
262 H THR 36 H THR 36 1.366 2.456 -6.078
263 HA THR 36 HA THR 36 1.197 0.684 -8.446
264 HB THR 36 HB THR 36 0.934 -0.048 -5.521
265 HG1 THR 36 HG1 THR 36 2.922 -0.050 -5.343
266 HG21 THR 36 1HG2 THR 36 1.849 -1.702 -7.919
267 HG22 THR 36 2HG2 THR 36 1.634 -2.256 -6.239
268 HG23 THR 36 3HG2 THR 36 0.225 -1.802 -7.201
269 H VAL 37 H VAL 37 -0.861 1.611 -5.628
270 HA VAL 37 HA VAL 37 -3.109 0.142 -6.934
271 HB VAL 37 HB VAL 37 -3.837 -0.593 -4.811
272 HG11 VAL 37 1HG1 VAL 37 -0.851 -1.078 -5.013
273 HG12 VAL 37 2HG1 VAL 37 -2.002 -2.063 -4.156
274 HG13 VAL 37 3HG1 VAL 37 -2.114 -1.932 -5.933
275 HG21 VAL 37 1HG2 VAL 37 -3.163 1.329 -3.366
276 HG22 VAL 37 2HG2 VAL 37 -2.675 -0.237 -2.713
277 HG23 VAL 37 3HG2 VAL 37 -1.471 0.773 -3.494
278 H GLU 38 H GLU 38 -5.249 0.511 -6.298
279 HA GLU 38 HA GLU 38 -6.327 3.057 -6.430
280 HB2 GLU 38 2HB GLU 38 -7.252 0.378 -5.439
281 HB3 GLU 38 3HB GLU 38 -8.241 1.737 -4.961
282 HG2 GLU 38 2HG GLU 38 -7.437 1.173 -7.813
283 HG3 GLU 38 3HG GLU 38 -8.927 0.582 -7.088
284 H SER 39 H SER 39 -7.572 4.261 -5.045
285 HA SER 39 HA SER 39 -6.718 4.412 -2.197
286 HB2 SER 39 2HB SER 39 -6.303 6.441 -3.559
287 HB3 SER 39 3HB SER 39 -8.035 6.533 -3.886
288 HG SER 39 HG SER 39 -6.717 6.711 -1.385
289 HA PRO 40 HA PRO 40 -7.729 5.142 -0.211
290 HB2 PRO 40 2HB PRO 40 -9.012 4.247 1.986
291 HB3 PRO 40 3HB PRO 40 -9.560 5.675 1.054
292 HG2 PRO 40 2HG PRO 40 -10.610 2.838 0.874
293 HG3 PRO 40 3HG PRO 40 -11.543 4.350 1.033
294 HD2 PRO 40 2HD PRO 40 -11.104 3.178 -1.399
295 HD3 PRO 40 3HD PRO 40 -11.188 4.948 -1.201
296 H ILE 41 H ILE 41 -5.903 4.134 -0.009
297 HA ILE 41 HA ILE 41 -5.774 1.306 0.917
298 HB ILE 41 HB ILE 41 -4.578 1.476 -1.134
299 HG12 ILE 41 2HG1 ILE 41 -2.233 1.012 -0.514
300 HG13 ILE 41 3HG1 ILE 41 -2.530 1.572 1.118
301 HG21 ILE 41 1HG2 ILE 41 -3.154 3.921 -0.013
302 HG22 ILE 41 2HG2 ILE 41 -2.684 3.056 -1.487
303 HG23 ILE 41 3HG2 ILE 41 -4.249 3.842 -1.416
304 HD11 ILE 41 1HD1 ILE 41 -3.903 -0.797 -0.242
305 HD12 ILE 41 2HD1 ILE 41 -2.570 -0.898 0.923
306 HD13 ILE 41 3HD1 ILE 41 -4.155 -0.301 1.447
307 H SER 42 H SER 42 -4.821 0.931 2.899
308 HA SER 42 HA SER 42 -4.742 3.071 4.796
309 HB2 SER 42 2HB SER 42 -5.155 0.690 5.333
310 HB3 SER 42 3HB SER 42 -3.424 0.377 5.148
311 HG SER 42 HG SER 42 -3.443 0.964 7.199
312 H GLU 43 H GLU 43 -3.088 4.249 5.661
313 HA GLU 43 HA GLU 43 -0.622 4.381 4.123
314 HB2 GLU 43 2HB GLU 43 -0.033 6.214 5.524
315 HB3 GLU 43 3HB GLU 43 -1.655 6.394 4.900
316 HG2 GLU 43 2HG GLU 43 -2.579 5.607 7.085
317 HG3 GLU 43 3HG GLU 43 -0.933 5.571 7.710
318 H ASN 44 H ASN 44 -1.512 2.208 6.431
319 HA ASN 44 HA ASN 44 1.345 1.545 6.953
320 HB2 ASN 44 2HB ASN 44 0.750 0.485 8.994
321 HB3 ASN 44 3HB ASN 44 -0.031 2.058 9.042
322 HD21 ASN 44 1HD2 ASN 44 -0.975 0.607 10.810
323 HD22 ASN 44 2HD2 ASN 44 -2.612 0.180 10.295
324 H GLY 45 H GLY 45 -0.998 0.702 4.789
325 HA2 GLY 45 2HA GLY 45 -1.784 -1.877 5.356
326 HA3 GLY 45 3HA GLY 45 -1.735 -1.182 3.745
327 H TRP 46 H TRP 46 0.712 -1.118 2.968
328 HA TRP 46 HA TRP 46 2.248 -2.265 1.877
329 HB2 TRP 46 2HB TRP 46 3.096 -3.277 3.966
330 HB3 TRP 46 3HB TRP 46 1.997 -4.622 3.736
331 HD1 TRP 46 HD1 TRP 46 4.797 -2.874 1.700
332 HE1 TRP 46 HE1 TRP 46 5.998 -4.644 0.266
333 HE3 TRP 46 HE3 TRP 46 2.010 -6.993 2.865
334 HZ2 TRP 46 HZ2 TRP 46 6.073 -7.499 0.041
335 HZ3 TRP 46 HZ3 TRP 46 2.626 -9.231 1.967
336 HH2 TRP 46 HH2 TRP 46 4.670 -9.503 0.578
337 H CYS 47 H CYS 47 1.778 -2.840 -0.106
338 HA CYS 47 HA CYS 47 -0.069 -5.116 -0.573
339 HB2 CYS 47 2HB CYS 47 -0.425 -4.454 -2.785
340 HB3 CYS 47 3HB CYS 47 -0.467 -2.917 -1.904
341 H ARG 48 H ARG 48 0.633 -6.681 -2.084
342 HA ARG 48 HA ARG 48 3.209 -7.659 -1.184
343 HB2 ARG 48 2HB ARG 48 0.843 -8.825 -1.528
344 HB3 ARG 48 3HB ARG 48 1.406 -8.977 -3.203
345 HG2 ARG 48 2HG ARG 48 3.505 -10.029 -2.160
346 HG3 ARG 48 3HG ARG 48 2.537 -10.203 -0.676
347 HD2 ARG 48 2HD ARG 48 0.786 -11.397 -1.952
348 HD3 ARG 48 3HD ARG 48 1.714 -11.115 -3.447
349 HE ARG 48 HE ARG 48 3.382 -12.457 -1.548
350 HH11 ARG 48 1HH1 ARG 48 0.497 -13.411 -3.368
351 HH12 ARG 48 2HH1 ARG 48 1.064 -15.067 -3.460
352 HH21 ARG 48 1HH2 ARG 48 3.869 -14.477 -1.534
353 HH22 ARG 48 2HH2 ARG 48 2.922 -15.680 -2.368
354 H LEU 49 H LEU 49 2.482 -5.637 -3.677
355 HA LEU 49 HA LEU 49 4.158 -6.796 -5.772
356 HB2 LEU 49 2HB LEU 49 1.929 -5.248 -5.808
357 HB3 LEU 49 3HB LEU 49 3.125 -3.977 -5.837
358 HG LEU 49 HG LEU 49 2.368 -4.435 -8.056
359 HD11 LEU 49 1HD1 LEU 49 5.096 -5.765 -7.942
360 HD12 LEU 49 2HD1 LEU 49 4.356 -4.903 -9.299
361 HD13 LEU 49 3HD1 LEU 49 4.834 -4.008 -7.846
362 HD21 LEU 49 1HD2 LEU 49 1.524 -6.710 -7.745
363 HD22 LEU 49 2HD2 LEU 49 2.578 -6.609 -9.162
364 HD23 LEU 49 3HD2 LEU 49 3.184 -7.345 -7.672
365 H TYR 50 H TYR 50 4.466 -4.330 -3.253
366 HA TYR 50 HA TYR 50 7.216 -3.687 -4.217
367 HB2 TYR 50 2HB TYR 50 4.834 -1.973 -3.955
368 HB3 TYR 50 3HB TYR 50 6.246 -1.292 -3.197
369 HD1 TYR 50 HD1 TYR 50 8.425 -1.113 -4.495
370 HD2 TYR 50 HD2 TYR 50 4.640 -1.976 -6.356
371 HE1 TYR 50 HE1 TYR 50 9.344 -0.386 -6.706
372 HE2 TYR 50 HE2 TYR 50 5.561 -1.268 -8.565
373 HH TYR 50 HH TYR 50 7.380 -0.431 -9.686
374 H ALA 51 H ALA 51 7.817 -1.769 -2.237
375 HA ALA 51 HA ALA 51 8.250 -3.365 0.180
376 HB1 ALA 51 1HB ALA 51 10.471 -2.796 -1.840
377 HB2 ALA 51 2HB ALA 51 10.664 -3.603 -0.259
378 HB3 ALA 51 3HB ALA 51 9.753 -4.399 -1.552
379 H GLY 52 H GLY 52 9.514 -2.217 1.774
380 HA2 GLY 52 2HA GLY 52 9.404 0.642 1.767
381 HA3 GLY 52 3HA GLY 52 10.191 -0.379 2.960
382 H LYS 53 H LYS 53 11.439 1.902 2.393
383 HA LYS 53 HA LYS 53 13.545 1.688 0.390
384 HB2 LYS 53 2HB LYS 53 12.867 3.566 2.638
385 HB3 LYS 53 3HB LYS 53 14.559 3.426 2.187
386 HG2 LYS 53 2HG LYS 53 13.791 5.233 0.949
387 HG3 LYS 53 3HG LYS 53 13.934 3.909 -0.215
388 HD2 LYS 53 2HD LYS 53 11.526 3.513 -0.113
389 HD3 LYS 53 3HD LYS 53 11.357 4.699 1.207
390 HE2 LYS 53 2HE LYS 53 12.461 6.374 -0.517
391 HE3 LYS 53 3HE LYS 53 11.954 5.188 -1.724
392 HZ1 LYS 53 1HZ LYS 53 10.263 6.772 0.120
393 HZ2 LYS 53 2HZ LYS 53 10.139 6.652 -1.520
394 HZ3 LYS 53 3HZ LYS 53 9.681 5.405 -0.554
395 H ALA 54 H ALA 54 15.052 0.482 0.471
396 HA ALA 54 HA ALA 54 16.320 -0.748 2.861
397 HB1 ALA 54 1HB ALA 54 17.061 -0.950 -0.091
398 HB2 ALA 54 2HB ALA 54 17.762 -1.896 1.238
399 HB3 ALA 54 3HB ALA 54 16.053 -2.101 0.816
Start of MODEL 3
1 H1 VAL 1 1H VAL 1 -8.547 8.757 -17.606
2 H2 VAL 1 2H VAL 1 -8.688 9.459 -19.077
3 H3 VAL 1 3H VAL 1 -7.200 9.070 -18.522
4 HA VAL 1 HA VAL 1 -9.365 7.167 -19.115
5 HB VAL 1 HB VAL 1 -8.038 6.337 -20.983
6 HG11 VAL 1 1HG1 VAL 1 -8.673 9.296 -21.267
7 HG12 VAL 1 2HG1 VAL 1 -8.647 8.066 -22.541
8 HG13 VAL 1 3HG1 VAL 1 -9.882 7.986 -21.277
9 HG21 VAL 1 1HG2 VAL 1 -6.291 8.823 -20.649
10 HG22 VAL 1 2HG2 VAL 1 -5.764 7.144 -20.398
11 HG23 VAL 1 3HG2 VAL 1 -6.264 7.678 -21.999
12 H THR 2 H THR 2 -5.991 7.461 -17.956
13 HA THR 2 HA THR 2 -5.630 4.605 -17.694
14 HB THR 2 HB THR 2 -3.944 6.898 -16.630
15 HG1 THR 2 HG1 THR 2 -3.317 7.173 -18.558
16 HG21 THR 2 1HG2 THR 2 -3.242 4.002 -17.294
17 HG22 THR 2 2HG2 THR 2 -2.060 5.285 -16.955
18 HG23 THR 2 3HG2 THR 2 -3.175 4.773 -15.687
19 H LYS 3 H LYS 3 -5.458 3.364 -15.844
20 HA LYS 3 HA LYS 3 -5.913 4.544 -13.163
21 HB2 LYS 3 2HB LYS 3 -8.083 3.471 -14.544
22 HB3 LYS 3 3HB LYS 3 -7.479 2.048 -13.728
23 HG2 LYS 3 2HG LYS 3 -9.124 2.944 -12.320
24 HG3 LYS 3 3HG LYS 3 -7.597 3.385 -11.538
25 HD2 LYS 3 2HD LYS 3 -7.788 5.687 -12.429
26 HD3 LYS 3 3HD LYS 3 -9.161 5.206 -13.427
27 HE2 LYS 3 2HE LYS 3 -10.062 6.395 -11.600
28 HE3 LYS 3 3HE LYS 3 -10.479 4.696 -11.356
29 HZ1 LYS 3 1HZ LYS 3 -9.629 5.881 -9.328
30 HZ2 LYS 3 2HZ LYS 3 -8.774 4.541 -9.673
31 HZ3 LYS 3 3HZ LYS 3 -8.181 6.039 -10.046
32 H LYS 4 H LYS 4 -4.698 3.541 -11.573
33 HA LYS 4 HA LYS 4 -2.879 1.398 -12.177
34 HB2 LYS 4 2HB LYS 4 -3.779 2.738 -9.599
35 HB3 LYS 4 3HB LYS 4 -2.650 1.390 -9.543
36 HG2 LYS 4 2HG LYS 4 -2.158 3.686 -11.365
37 HG3 LYS 4 3HG LYS 4 -1.696 3.779 -9.661
38 HD2 LYS 4 2HD LYS 4 -0.186 1.804 -10.054
39 HD3 LYS 4 3HD LYS 4 -0.725 1.763 -11.755
40 HE2 LYS 4 2HE LYS 4 -0.069 4.270 -11.767
41 HE3 LYS 4 3HE LYS 4 0.779 3.953 -10.295
42 HZ1 LYS 4 1HZ LYS 4 2.173 3.753 -12.360
43 HZ2 LYS 4 2HZ LYS 4 2.170 2.354 -11.459
44 HZ3 LYS 4 3HZ LYS 4 1.276 2.471 -12.825
45 H ALA 5 H ALA 5 -2.648 -0.360 -10.675
46 HA ALA 5 HA ALA 5 -4.764 -2.357 -11.067
47 HB1 ALA 5 1HB ALA 5 -2.221 -2.499 -9.390
48 HB2 ALA 5 2HB ALA 5 -3.285 -3.864 -9.796
49 HB3 ALA 5 3HB ALA 5 -2.390 -3.029 -11.084
50 H SER 6 H SER 6 -5.944 -3.512 -9.342
51 HA SER 6 HA SER 6 -6.673 -1.703 -7.155
52 HB2 SER 6 2HB SER 6 -8.310 -3.181 -6.469
53 HB3 SER 6 3HB SER 6 -8.351 -3.186 -8.233
54 HG SER 6 HG SER 6 -8.377 -5.261 -7.807
55 H HIS 7 H HIS 7 -6.342 -1.975 -5.061
56 HA HIS 7 HA HIS 7 -3.841 -2.885 -4.004
57 HB2 HIS 7 2HB HIS 7 -5.287 -2.529 -1.834
58 HB3 HIS 7 3HB HIS 7 -4.858 -1.163 -2.845
59 HD2 HIS 7 HD2 HIS 7 -6.740 0.357 -3.679
60 HE1 HIS 7 HE1 HIS 7 -10.052 -2.315 -3.421
61 HE2 HIS 7 HE2 HIS 7 -9.343 0.067 -3.970
62 H LYS 8 H LYS 8 -7.014 -4.359 -4.125
63 HA LYS 8 HA LYS 8 -6.498 -6.813 -2.801
64 HB2 LYS 8 2HB LYS 8 -8.727 -5.890 -3.460
65 HB3 LYS 8 3HB LYS 8 -8.364 -6.290 -5.137
66 HG2 LYS 8 2HG LYS 8 -9.706 -7.997 -4.279
67 HG3 LYS 8 3HG LYS 8 -8.121 -8.715 -4.461
68 HD2 LYS 8 2HD LYS 8 -7.689 -8.539 -2.047
69 HD3 LYS 8 3HD LYS 8 -9.201 -7.632 -1.808
70 HE2 LYS 8 2HE LYS 8 -10.507 -9.580 -2.548
71 HE3 LYS 8 3HE LYS 8 -9.024 -10.485 -2.866
72 HZ1 LYS 8 1HZ LYS 8 -8.513 -10.490 -0.547
73 HZ2 LYS 8 2HZ LYS 8 -9.734 -9.456 -0.161
74 HZ3 LYS 8 3HZ LYS 8 -10.050 -10.992 -0.692
75 H ASP 9 H ASP 9 -6.407 -6.269 -6.337
76 HA ASP 9 HA ASP 9 -5.263 -8.710 -7.168
77 HB2 ASP 9 2HB ASP 9 -6.059 -6.517 -8.470
78 HB3 ASP 9 3HB ASP 9 -4.359 -6.127 -8.419
79 H ALA 10 H ALA 10 -3.617 -5.764 -6.073
80 HA ALA 10 HA ALA 10 -0.926 -6.744 -6.206
81 HB1 ALA 10 1HB ALA 10 -2.262 -4.401 -4.815
82 HB2 ALA 10 2HB ALA 10 -0.514 -4.583 -4.965
83 HB3 ALA 10 3HB ALA 10 -1.512 -4.397 -6.427
84 H GLY 11 H GLY 11 -3.231 -7.833 -4.054
85 HA2 GLY 11 2HA GLY 11 -3.018 -9.144 -2.199
86 HA3 GLY 11 3HA GLY 11 -1.270 -9.170 -2.458
87 H TYR 12 H TYR 12 -3.341 -6.312 -1.726
88 HA TYR 12 HA TYR 12 -1.734 -5.624 0.545
89 HB2 TYR 12 2HB TYR 12 -2.853 -3.716 0.762
90 HB3 TYR 12 3HB TYR 12 -3.039 -4.026 -0.944
91 HD1 TYR 12 HD1 TYR 12 -5.406 -6.055 -0.745
92 HD2 TYR 12 HD2 TYR 12 -4.627 -2.246 1.126
93 HE1 TYR 12 HE1 TYR 12 -7.845 -5.585 -0.674
94 HE2 TYR 12 HE2 TYR 12 -7.066 -1.772 1.164
95 HH TYR 12 HH TYR 12 -9.135 -2.482 0.549
96 H GLN 13 H GLN 13 -2.272 -5.226 2.644
97 HA GLN 13 HA GLN 13 -4.422 -6.857 3.877
98 HB2 GLN 13 2HB GLN 13 -2.849 -7.452 5.736
99 HB3 GLN 13 3HB GLN 13 -2.519 -8.245 4.208
100 HG2 GLN 13 2HG GLN 13 -0.630 -6.755 3.758
101 HG3 GLN 13 3HG GLN 13 -1.003 -5.824 5.217
102 HE21 GLN 13 1HE2 GLN 13 1.100 -6.148 5.933
103 HE22 GLN 13 2HE2 GLN 13 1.343 -7.616 6.848
104 H GLU 14 H GLU 14 -4.616 -6.163 6.296
105 HA GLU 14 HA GLU 14 -5.033 -3.276 6.348
106 HB2 GLU 14 2HB GLU 14 -6.116 -3.646 8.454
107 HB3 GLU 14 3HB GLU 14 -6.626 -4.865 7.288
108 HG2 GLU 14 2HG GLU 14 -5.161 -6.545 8.346
109 HG3 GLU 14 3HG GLU 14 -4.544 -5.328 9.463
110 H SER 15 H SER 15 -2.276 -4.987 6.886
111 HA SER 15 HA SER 15 -1.201 -3.203 9.008
112 HB2 SER 15 2HB SER 15 0.036 -5.459 9.627
113 HB3 SER 15 3HB SER 15 -1.601 -5.135 10.158
114 HG SER 15 HG SER 15 -1.348 -7.253 9.166
115 HA PRO 16 HA PRO 16 2.819 -3.251 6.897
116 HB2 PRO 16 2HB PRO 16 4.136 -3.429 9.534
117 HB3 PRO 16 3HB PRO 16 4.260 -2.155 8.312
118 HG2 PRO 16 2HG PRO 16 2.907 -1.786 10.687
119 HG3 PRO 16 3HG PRO 16 2.411 -1.010 9.147
120 HD2 PRO 16 2HD PRO 16 1.232 -3.517 10.426
121 HD3 PRO 16 3HD PRO 16 0.419 -2.113 9.691
122 H ASN 17 H ASN 17 4.505 -4.741 6.511
123 HA ASN 17 HA ASN 17 4.425 -7.394 7.900
124 HB2 ASN 17 2HB ASN 17 3.497 -7.612 5.613
125 HB3 ASN 17 3HB ASN 17 4.857 -6.772 4.946
126 HD21 ASN 17 1HD2 ASN 17 5.368 -8.699 3.629
127 HD22 ASN 17 2HD2 ASN 17 6.184 -10.058 4.422
128 H GLY 18 H GLY 18 6.156 -7.132 9.276
129 HA2 GLY 18 2HA GLY 18 8.286 -6.664 10.036
130 HA3 GLY 18 3HA GLY 18 8.752 -7.400 8.508
131 H ALA 19 H ALA 19 10.020 -6.210 7.251
132 HA ALA 19 HA ALA 19 10.670 -3.444 7.909
133 HB1 ALA 19 1HB ALA 19 12.375 -5.131 7.310
134 HB2 ALA 19 2HB ALA 19 11.674 -5.265 5.687
135 HB3 ALA 19 3HB ALA 19 12.413 -3.739 6.212
136 H LYS 20 H LYS 20 8.030 -4.556 6.143
137 HA LYS 20 HA LYS 20 8.132 -2.241 4.256
138 HB2 LYS 20 2HB LYS 20 6.725 -4.875 3.732
139 HB3 LYS 20 3HB LYS 20 7.073 -3.543 2.626
140 HG2 LYS 20 2HG LYS 20 8.690 -4.969 1.947
141 HG3 LYS 20 3HG LYS 20 9.606 -4.123 3.190
142 HD2 LYS 20 2HD LYS 20 8.896 -6.059 4.765
143 HD3 LYS 20 3HD LYS 20 8.289 -6.885 3.337
144 HE2 LYS 20 2HE LYS 20 11.151 -5.903 3.763
145 HE3 LYS 20 3HE LYS 20 10.603 -7.544 4.092
146 HZ1 LYS 20 1HZ LYS 20 10.579 -6.249 1.422
147 HZ2 LYS 20 2HZ LYS 20 11.652 -7.361 1.945
148 HZ3 LYS 20 3HZ LYS 20 10.074 -7.783 1.739
149 H ARG 21 H ARG 21 6.500 -0.912 4.145
150 HA ARG 21 HA ARG 21 3.761 -1.606 4.878
151 HB2 ARG 21 2HB ARG 21 3.522 -0.517 6.767
152 HB3 ARG 21 3HB ARG 21 5.260 -0.412 6.888
153 HG2 ARG 21 2HG ARG 21 5.170 1.875 5.867
154 HG3 ARG 21 3HG ARG 21 3.397 1.763 5.808
155 HD2 ARG 21 2HD ARG 21 3.602 1.203 8.368
156 HD3 ARG 21 3HD ARG 21 5.206 1.940 8.208
157 HE ARG 21 HE ARG 21 2.956 3.483 7.075
158 HH11 ARG 21 1HH1 ARG 21 4.656 2.973 10.125
159 HH12 ARG 21 2HH1 ARG 21 4.263 4.600 10.660
160 HH21 ARG 21 1HH2 ARG 21 2.670 5.531 7.791
161 HH22 ARG 21 2HH2 ARG 21 3.107 5.957 9.408
162 H CYS 22 H CYS 22 2.246 0.260 4.127
163 HA CYS 22 HA CYS 22 3.176 1.700 1.817
164 HB2 CYS 22 2HB CYS 22 0.762 2.253 3.582
165 HB3 CYS 22 3HB CYS 22 1.076 2.875 1.951
166 H GLY 23 H GLY 23 1.887 4.018 3.894
167 HA2 GLY 23 2HA GLY 23 2.599 5.913 4.936
168 HA3 GLY 23 3HA GLY 23 3.943 4.912 5.473
169 H THR 24 H THR 24 5.513 4.622 3.445
170 HA THR 24 HA THR 24 5.809 6.974 1.685
171 HB THR 24 HB THR 24 8.296 6.872 1.879
172 HG1 THR 24 HG1 THR 24 9.241 5.804 3.437
173 HG21 THR 24 1HG2 THR 24 6.962 7.632 4.510
174 HG22 THR 24 2HG2 THR 24 8.519 8.216 3.891
175 HG23 THR 24 3HG2 THR 24 7.015 8.658 3.059
176 H CYS 25 H CYS 25 6.831 3.652 2.552
177 HA CYS 25 HA CYS 25 7.383 1.805 1.359
178 HB2 CYS 25 2HB CYS 25 5.067 1.844 0.839
179 HB3 CYS 25 3HB CYS 25 5.245 3.032 -0.405
180 H ARG 26 H ARG 26 7.613 1.754 -1.638
181 HA ARG 26 HA ARG 26 9.324 4.187 -2.163
182 HB2 ARG 26 2HB ARG 26 10.312 2.209 -3.145
183 HB3 ARG 26 3HB ARG 26 8.801 1.776 -3.939
184 HG2 ARG 26 2HG ARG 26 8.935 3.787 -5.370
185 HG3 ARG 26 3HG ARG 26 10.373 4.329 -4.485
186 HD2 ARG 26 2HD ARG 26 11.495 2.195 -5.222
187 HD3 ARG 26 3HD ARG 26 10.100 1.870 -6.264
188 HE ARG 26 HE ARG 26 10.835 4.418 -7.015
189 HH11 ARG 26 1HH1 ARG 26 12.791 1.468 -6.829
190 HH12 ARG 26 2HH1 ARG 26 13.968 2.186 -7.934
191 HH21 ARG 26 1HH2 ARG 26 12.298 5.098 -8.381
192 HH22 ARG 26 2HH2 ARG 26 13.711 4.090 -8.779
193 H GLN 27 H GLN 27 6.179 2.805 -2.293
194 HA GLN 27 HA GLN 27 5.342 4.554 -4.536
195 HB2 GLN 27 2HB GLN 27 4.426 1.863 -3.514
196 HB3 GLN 27 3HB GLN 27 3.758 2.646 -4.940
197 HG2 GLN 27 2HG GLN 27 6.730 1.959 -4.735
198 HG3 GLN 27 3HG GLN 27 5.546 0.793 -5.241
199 HE21 GLN 27 1HE2 GLN 27 4.270 1.236 -7.176
200 HE22 GLN 27 2HE2 GLN 27 5.055 2.138 -8.473
201 H PHE 28 H PHE 28 4.803 4.832 -1.226
202 HA PHE 28 HA PHE 28 1.881 4.907 -1.362
203 HB2 PHE 28 2HB PHE 28 3.108 4.369 0.754
204 HB3 PHE 28 3HB PHE 28 3.654 6.042 0.815
205 HD1 PHE 28 HD1 PHE 28 0.392 4.192 0.251
206 HD2 PHE 28 HD2 PHE 28 2.381 7.476 2.203
207 HE1 PHE 28 HE1 PHE 28 -1.714 4.790 1.406
208 HE2 PHE 28 HE2 PHE 28 0.274 8.042 3.391
209 HZ PHE 28 HZ PHE 28 -1.783 6.714 2.971
210 H ARG 29 H ARG 29 0.503 6.716 -1.299
211 HA ARG 29 HA ARG 29 1.731 9.377 -1.833
212 HB2 ARG 29 2HB ARG 29 1.246 8.193 -3.957
213 HB3 ARG 29 3HB ARG 29 -0.439 8.047 -3.500
214 HG2 ARG 29 2HG ARG 29 -0.095 9.853 -5.085
215 HG3 ARG 29 3HG ARG 29 -0.691 10.490 -3.542
216 HD2 ARG 29 2HD ARG 29 1.555 11.179 -2.910
217 HD3 ARG 29 3HD ARG 29 2.257 10.411 -4.345
218 HE ARG 29 HE ARG 29 0.560 12.164 -5.499
219 HH11 ARG 29 1HH1 ARG 29 3.193 12.592 -3.167
220 HH12 ARG 29 2HH1 ARG 29 3.510 14.209 -3.768
221 HH21 ARG 29 1HH2 ARG 29 1.012 14.297 -6.064
222 HH22 ARG 29 2HH2 ARG 29 2.356 15.096 -5.262
223 HA PRO 30 HA PRO 30 -1.199 9.541 1.635
224 HB2 PRO 30 2HB PRO 30 0.080 12.238 2.026
225 HB3 PRO 30 3HB PRO 30 -0.267 10.970 3.237
226 HG2 PRO 30 2HG PRO 30 2.253 11.369 2.289
227 HG3 PRO 30 3HG PRO 30 1.643 9.724 2.602
228 HD2 PRO 30 2HD PRO 30 1.868 11.179 -0.034
229 HD3 PRO 30 3HD PRO 30 2.217 9.467 0.351
230 HA PRO 31 HA PRO 31 -2.613 10.590 3.186
231 HB2 PRO 31 2HB PRO 31 -5.265 10.806 3.702
232 HB3 PRO 31 3HB PRO 31 -4.143 12.197 3.787
233 HG2 PRO 31 2HG PRO 31 -5.946 11.406 1.471
234 HG3 PRO 31 3HG PRO 31 -5.776 13.018 2.246
235 HD2 PRO 31 2HD PRO 31 -4.417 12.376 -0.018
236 HD3 PRO 31 3HD PRO 31 -3.680 13.390 1.248
237 H SER 32 H SER 32 -4.496 9.523 0.296
238 HA SER 32 HA SER 32 -4.432 6.779 1.406
239 HB2 SER 32 2HB SER 32 -6.827 6.425 1.145
240 HB3 SER 32 3HB SER 32 -6.457 7.674 2.321
241 HG SER 32 HG SER 32 -8.106 8.425 1.153
242 H SER 33 H SER 33 -3.129 8.045 -0.978
243 HA SER 33 HA SER 33 -4.180 6.186 -3.079
244 HB2 SER 33 2HB SER 33 -2.610 8.769 -3.406
245 HB3 SER 33 3HB SER 33 -3.121 7.685 -4.711
246 HG SER 33 HG SER 33 -4.736 9.207 -2.940
247 H CYS 34 H CYS 34 -2.426 5.531 -4.689
248 HA CYS 34 HA CYS 34 0.287 5.249 -3.558
249 HB2 CYS 34 2HB CYS 34 -0.868 3.346 -2.654
250 HB3 CYS 34 3HB CYS 34 -1.555 2.935 -4.207
251 H ILE 35 H ILE 35 1.762 4.323 -5.070
252 HA ILE 35 HA ILE 35 1.296 5.128 -7.908
253 HB ILE 35 HB ILE 35 3.921 4.612 -6.485
254 HG12 ILE 35 2HG1 ILE 35 2.964 6.561 -5.412
255 HG13 ILE 35 3HG1 ILE 35 4.284 7.041 -6.444
256 HG21 ILE 35 1HG2 ILE 35 4.219 4.360 -8.865
257 HG22 ILE 35 2HG2 ILE 35 3.299 5.839 -9.202
258 HG23 ILE 35 3HG2 ILE 35 4.887 5.920 -8.410
259 HD11 ILE 35 1HD1 ILE 35 1.316 7.364 -7.071
260 HD12 ILE 35 2HD1 ILE 35 2.443 8.634 -6.579
261 HD13 ILE 35 3HD1 ILE 35 2.648 7.845 -8.150
262 H THR 36 H THR 36 1.499 2.317 -5.914
263 HA THR 36 HA THR 36 1.795 0.559 -8.331
264 HB THR 36 HB THR 36 1.397 -0.234 -5.435
265 HG1 THR 36 HG1 THR 36 3.355 -0.162 -5.189
266 HG21 THR 36 1HG2 THR 36 2.223 -2.431 -6.189
267 HG22 THR 36 2HG2 THR 36 0.714 -2.017 -6.990
268 HG23 THR 36 3HG2 THR 36 2.242 -1.857 -7.878
269 H VAL 37 H VAL 37 -0.502 1.520 -5.753
270 HA VAL 37 HA VAL 37 -2.656 0.042 -7.184
271 HB VAL 37 HB VAL 37 -3.556 -0.716 -5.148
272 HG11 VAL 37 1HG1 VAL 37 -0.560 -1.187 -5.018
273 HG12 VAL 37 2HG1 VAL 37 -1.806 -2.194 -4.329
274 HG13 VAL 37 3HG1 VAL 37 -1.697 -2.032 -6.102
275 HG21 VAL 37 1HG2 VAL 37 -3.055 1.190 -3.631
276 HG22 VAL 37 2HG2 VAL 37 -2.598 -0.374 -2.945
277 HG23 VAL 37 3HG2 VAL 37 -1.350 0.671 -3.601
278 H GLU 38 H GLU 38 -4.829 0.507 -6.533
279 HA GLU 38 HA GLU 38 -5.643 3.182 -6.901
280 HB2 GLU 38 2HB GLU 38 -6.919 0.547 -6.142
281 HB3 GLU 38 3HB GLU 38 -7.897 1.991 -6.012
282 HG2 GLU 38 2HG GLU 38 -6.378 1.268 -8.533
283 HG3 GLU 38 3HG GLU 38 -8.020 0.704 -8.212
284 H SER 39 H SER 39 -7.333 4.288 -5.631
285 HA SER 39 HA SER 39 -6.769 4.442 -2.709
286 HB2 SER 39 2HB SER 39 -7.548 6.789 -2.862
287 HB3 SER 39 3HB SER 39 -6.134 6.490 -3.879
288 HG SER 39 HG SER 39 -7.353 6.498 -5.668
289 HA PRO 40 HA PRO 40 -7.846 5.571 -0.973
290 HB2 PRO 40 2HB PRO 40 -9.384 5.257 1.218
291 HB3 PRO 40 3HB PRO 40 -9.733 6.483 -0.039
292 HG2 PRO 40 2HG PRO 40 -10.982 3.731 0.267
293 HG3 PRO 40 3HG PRO 40 -11.808 5.301 0.018
294 HD2 PRO 40 2HD PRO 40 -11.240 3.582 -2.049
295 HD3 PRO 40 3HD PRO 40 -11.237 5.353 -2.253
296 H ILE 41 H ILE 41 -6.177 4.574 -0.019
297 HA ILE 41 HA ILE 41 -6.513 1.912 1.313
298 HB ILE 41 HB ILE 41 -4.136 1.495 0.887
299 HG12 ILE 41 2HG1 ILE 41 -4.075 3.580 -1.290
300 HG13 ILE 41 3HG1 ILE 41 -3.678 4.046 0.363
301 HG21 ILE 41 1HG2 ILE 41 -5.748 0.368 -0.466
302 HG22 ILE 41 2HG2 ILE 41 -5.868 1.751 -1.567
303 HG23 ILE 41 3HG2 ILE 41 -4.356 0.824 -1.466
304 HD11 ILE 41 1HD1 ILE 41 -2.260 1.900 -1.247
305 HD12 ILE 41 2HD1 ILE 41 -1.639 3.481 -0.718
306 HD13 ILE 41 3HD1 ILE 41 -1.969 2.228 0.477
307 H SER 42 H SER 42 -4.678 1.517 2.924
308 HA SER 42 HA SER 42 -4.744 3.717 4.903
309 HB2 SER 42 2HB SER 42 -5.337 1.242 5.330
310 HB3 SER 42 3HB SER 42 -3.592 0.966 5.358
311 HG SER 42 HG SER 42 -3.836 1.594 7.372
312 H GLU 43 H GLU 43 -2.846 4.435 5.989
313 HA GLU 43 HA GLU 43 -0.447 4.520 4.327
314 HB2 GLU 43 2HB GLU 43 0.386 6.119 5.865
315 HB3 GLU 43 3HB GLU 43 -1.282 6.522 5.463
316 HG2 GLU 43 2HG GLU 43 -2.065 5.538 7.557
317 HG3 GLU 43 3HG GLU 43 -0.411 5.116 7.994
318 H ASN 44 H ASN 44 -1.442 2.194 6.423
319 HA ASN 44 HA ASN 44 1.364 1.338 7.021
320 HB2 ASN 44 2HB ASN 44 0.423 0.161 8.981
321 HB3 ASN 44 3HB ASN 44 0.181 1.900 9.068
322 HD21 ASN 44 1HD2 ASN 44 -1.225 1.092 10.778
323 HD22 ASN 44 2HD2 ASN 44 -2.906 1.095 10.238
324 H GLY 45 H GLY 45 -1.632 0.375 5.493
325 HA2 GLY 45 2HA GLY 45 -1.213 -2.446 5.636
326 HA3 GLY 45 3HA GLY 45 -2.456 -1.611 4.728
327 H TRP 46 H TRP 46 0.892 -2.609 4.775
328 HA TRP 46 HA TRP 46 1.938 -2.276 2.274
329 HB2 TRP 46 2HB TRP 46 3.021 -3.408 4.209
330 HB3 TRP 46 3HB TRP 46 1.934 -4.756 4.025
331 HD1 TRP 46 HD1 TRP 46 4.620 -3.016 1.824
332 HE1 TRP 46 HE1 TRP 46 5.920 -4.814 0.555
333 HE3 TRP 46 HE3 TRP 46 1.960 -7.148 3.264
334 HZ2 TRP 46 HZ2 TRP 46 6.004 -7.700 0.416
335 HZ3 TRP 46 HZ3 TRP 46 2.625 -9.405 2.459
336 HH2 TRP 46 HH2 TRP 46 4.650 -9.693 1.058
337 H CYS 47 H CYS 47 1.744 -3.040 0.229
338 HA CYS 47 HA CYS 47 -0.023 -5.373 -0.294
339 HB2 CYS 47 2HB CYS 47 -0.431 -4.580 -2.465
340 HB3 CYS 47 3HB CYS 47 -0.513 -3.116 -1.468
341 H ARG 48 H ARG 48 0.670 -7.083 -1.480
342 HA ARG 48 HA ARG 48 3.464 -7.712 -1.146
343 HB2 ARG 48 2HB ARG 48 1.551 -9.309 -1.020
344 HB3 ARG 48 3HB ARG 48 1.366 -9.227 -2.781
345 HG2 ARG 48 2HG ARG 48 4.041 -9.804 -1.583
346 HG3 ARG 48 3HG ARG 48 2.832 -11.081 -1.452
347 HD2 ARG 48 2HD ARG 48 2.557 -11.268 -3.822
348 HD3 ARG 48 3HD ARG 48 3.532 -9.846 -4.148
349 HE ARG 48 HE ARG 48 4.482 -12.551 -3.585
350 HH11 ARG 48 1HH1 ARG 48 5.500 -9.184 -3.635
351 HH12 ARG 48 2HH1 ARG 48 7.182 -9.621 -3.818
352 HH21 ARG 48 1HH2 ARG 48 6.490 -13.025 -3.830
353 HH22 ARG 48 2HH2 ARG 48 7.758 -11.811 -3.962
354 H LEU 49 H LEU 49 1.806 -6.012 -3.605
355 HA LEU 49 HA LEU 49 3.885 -6.444 -5.632
356 HB2 LEU 49 2HB LEU 49 1.323 -6.372 -5.981
357 HB3 LEU 49 3HB LEU 49 1.499 -4.624 -5.849
358 HG LEU 49 HG LEU 49 2.992 -4.648 -7.859
359 HD11 LEU 49 1HD1 LEU 49 2.348 -7.631 -7.853
360 HD12 LEU 49 2HD1 LEU 49 3.040 -6.759 -9.230
361 HD13 LEU 49 3HD1 LEU 49 3.965 -6.891 -7.739
362 HD21 LEU 49 1HD2 LEU 49 0.346 -6.104 -8.254
363 HD22 LEU 49 2HD2 LEU 49 0.546 -4.344 -8.086
364 HD23 LEU 49 3HD2 LEU 49 1.240 -5.183 -9.480
365 H TYR 50 H TYR 50 3.856 -4.510 -2.960
366 HA TYR 50 HA TYR 50 4.753 -2.024 -3.571
367 HB2 TYR 50 2HB TYR 50 5.829 -2.004 -1.522
368 HB3 TYR 50 3HB TYR 50 4.633 -3.246 -1.292
369 HD1 TYR 50 HD1 TYR 50 5.564 -5.746 -1.989
370 HD2 TYR 50 HD2 TYR 50 7.992 -2.400 -0.783
371 HE1 TYR 50 HE1 TYR 50 7.475 -7.291 -1.590
372 HE2 TYR 50 HE2 TYR 50 9.900 -3.951 -0.347
373 HH TYR 50 HH TYR 50 9.713 -7.454 -1.046
374 H ALA 51 H ALA 51 7.026 -1.112 -3.449
375 HA ALA 51 HA ALA 51 9.083 -2.778 -4.805
376 HB1 ALA 51 1HB ALA 51 8.448 0.117 -5.490
377 HB2 ALA 51 2HB ALA 51 9.816 -0.830 -6.113
378 HB3 ALA 51 3HB ALA 51 8.157 -1.295 -6.522
379 H GLY 52 H GLY 52 11.144 -2.555 -4.037
380 HA2 GLY 52 2HA GLY 52 11.403 -1.879 -1.309
381 HA3 GLY 52 3HA GLY 52 12.728 -2.301 -2.385
382 H LYS 53 H LYS 53 12.932 -0.478 -0.249
383 HA LYS 53 HA LYS 53 12.904 2.296 -1.104
384 HB2 LYS 53 2HB LYS 53 14.029 0.792 1.305
385 HB3 LYS 53 3HB LYS 53 14.388 2.480 1.016
386 HG2 LYS 53 2HG LYS 53 12.675 2.389 2.626
387 HG3 LYS 53 3HG LYS 53 11.990 3.069 1.151
388 HD2 LYS 53 2HD LYS 53 10.844 1.044 0.632
389 HD3 LYS 53 3HD LYS 53 11.715 0.127 1.862
390 HE2 LYS 53 2HE LYS 53 9.667 2.339 2.402
391 HE3 LYS 53 3HE LYS 53 9.371 0.603 2.498
392 HZ1 LYS 53 1HZ LYS 53 9.796 1.192 4.695
393 HZ2 LYS 53 2HZ LYS 53 11.289 0.664 4.227
394 HZ3 LYS 53 3HZ LYS 53 10.971 2.257 4.338
395 H ALA 54 H ALA 54 14.607 3.448 -1.159
396 HA ALA 54 HA ALA 54 16.469 4.347 -2.218
397 HB1 ALA 54 1HB ALA 54 17.791 2.174 -0.553
398 HB2 ALA 54 2HB ALA 54 18.525 3.712 -1.068
399 HB3 ALA 54 3HB ALA 54 17.166 3.712 0.065
Start of MODEL 4
1 H1 VAL 1 1H VAL 1 2.772 8.548 -18.654
2 H2 VAL 1 2H VAL 1 1.507 8.004 -19.567
3 H3 VAL 1 3H VAL 1 2.788 7.021 -19.228
4 HA VAL 1 HA VAL 1 2.284 6.893 -16.950
5 HB VAL 1 HB VAL 1 0.070 8.851 -17.624
6 HG11 VAL 1 1HG1 VAL 1 0.517 7.298 -15.030
7 HG12 VAL 1 2HG1 VAL 1 -0.578 8.684 -15.222
8 HG13 VAL 1 3HG1 VAL 1 -0.910 7.194 -16.094
9 HG21 VAL 1 1HG2 VAL 1 2.264 9.887 -17.141
10 HG22 VAL 1 2HG2 VAL 1 1.162 10.168 -15.800
11 HG23 VAL 1 3HG2 VAL 1 2.416 8.919 -15.658
12 H THR 2 H THR 2 1.289 5.036 -16.371
13 HA THR 2 HA THR 2 -0.919 3.947 -18.073
14 HB THR 2 HB THR 2 1.305 3.059 -18.700
15 HG1 THR 2 HG1 THR 2 0.508 1.191 -19.028
16 HG21 THR 2 1HG2 THR 2 2.439 2.961 -16.512
17 HG22 THR 2 2HG2 THR 2 1.279 1.724 -15.970
18 HG23 THR 2 3HG2 THR 2 2.398 1.377 -17.298
19 H LYS 3 H LYS 3 -2.395 2.511 -17.021
20 HA LYS 3 HA LYS 3 -2.831 3.139 -14.215
21 HB2 LYS 3 2HB LYS 3 -4.721 2.974 -15.659
22 HB3 LYS 3 3HB LYS 3 -4.301 1.326 -16.160
23 HG2 LYS 3 2HG LYS 3 -4.810 0.456 -13.951
24 HG3 LYS 3 3HG LYS 3 -4.995 2.095 -13.290
25 HD2 LYS 3 2HD LYS 3 -6.914 2.486 -14.740
26 HD3 LYS 3 3HD LYS 3 -6.760 0.875 -15.462
27 HE2 LYS 3 2HE LYS 3 -7.088 1.263 -12.464
28 HE3 LYS 3 3HE LYS 3 -8.492 1.320 -13.525
29 HZ1 LYS 3 1HZ LYS 3 -8.064 -0.899 -14.249
30 HZ2 LYS 3 2HZ LYS 3 -6.678 -1.038 -13.390
31 HZ3 LYS 3 3HZ LYS 3 -8.106 -0.888 -12.609
32 H LYS 4 H LYS 4 -2.418 2.046 -12.461
33 HA LYS 4 HA LYS 4 -0.649 -0.274 -12.508
34 HB2 LYS 4 2HB LYS 4 -1.858 1.499 -10.345
35 HB3 LYS 4 3HB LYS 4 -0.832 0.138 -9.940
36 HG2 LYS 4 2HG LYS 4 0.366 1.717 -12.102
37 HG3 LYS 4 3HG LYS 4 -0.003 2.746 -10.718
38 HD2 LYS 4 2HD LYS 4 2.302 1.832 -10.743
39 HD3 LYS 4 3HD LYS 4 1.382 1.433 -9.295
40 HE2 LYS 4 2HE LYS 4 0.975 -0.852 -10.137
41 HE3 LYS 4 3HE LYS 4 1.774 -0.436 -11.660
42 HZ1 LYS 4 1HZ LYS 4 3.340 -1.568 -10.355
43 HZ2 LYS 4 2HZ LYS 4 3.798 0.012 -10.239
44 HZ3 LYS 4 3HZ LYS 4 3.035 -0.721 -8.997
45 H ALA 5 H ALA 5 -0.883 -1.945 -10.889
46 HA ALA 5 HA ALA 5 -3.230 -3.632 -11.168
47 HB1 ALA 5 1HB ALA 5 -0.943 -4.498 -10.662
48 HB2 ALA 5 2HB ALA 5 -0.981 -3.632 -9.104
49 HB3 ALA 5 3HB ALA 5 -2.112 -4.966 -9.405
50 H SER 6 H SER 6 -4.911 -4.052 -9.581
51 HA SER 6 HA SER 6 -5.527 -1.735 -7.957
52 HB2 SER 6 2HB SER 6 -7.594 -2.648 -7.450
53 HB3 SER 6 3HB SER 6 -7.273 -3.060 -9.133
54 HG SER 6 HG SER 6 -8.127 -4.796 -8.061
55 H HIS 7 H HIS 7 -5.836 -1.619 -5.759
56 HA HIS 7 HA HIS 7 -4.077 -2.760 -3.866
57 HB2 HIS 7 2HB HIS 7 -5.926 -2.001 -2.273
58 HB3 HIS 7 3HB HIS 7 -5.295 -0.770 -3.371
59 HD2 HIS 7 HD2 HIS 7 -6.954 0.247 -5.220
60 HE1 HIS 7 HE1 HIS 7 -10.401 -2.070 -4.313
61 HE2 HIS 7 HE2 HIS 7 -9.498 -0.139 -5.704
62 H LYS 8 H LYS 8 -7.094 -4.015 -5.153
63 HA LYS 8 HA LYS 8 -7.454 -6.177 -3.272
64 HB2 LYS 8 2HB LYS 8 -9.231 -4.989 -4.674
65 HB3 LYS 8 3HB LYS 8 -8.622 -5.886 -6.054
66 HG2 LYS 8 2HG LYS 8 -10.413 -7.108 -5.316
67 HG3 LYS 8 3HG LYS 8 -9.050 -8.040 -4.714
68 HD2 LYS 8 2HD LYS 8 -9.369 -7.191 -2.439
69 HD3 LYS 8 3HD LYS 8 -10.490 -5.963 -3.018
70 HE2 LYS 8 2HE LYS 8 -11.895 -7.519 -2.041
71 HE3 LYS 8 3HE LYS 8 -12.040 -7.842 -3.767
72 HZ1 LYS 8 1HZ LYS 8 -11.806 -9.840 -2.407
73 HZ2 LYS 8 2HZ LYS 8 -10.559 -9.748 -3.473
74 HZ3 LYS 8 3HZ LYS 8 -10.340 -9.386 -1.873
75 H ASP 9 H ASP 9 -6.492 -6.251 -6.730
76 HA ASP 9 HA ASP 9 -5.596 -8.943 -6.862
77 HB2 ASP 9 2HB ASP 9 -5.069 -6.356 -8.352
78 HB3 ASP 9 3HB ASP 9 -4.053 -7.724 -8.667
79 H ALA 10 H ALA 10 -3.817 -5.974 -5.899
80 HA ALA 10 HA ALA 10 -1.330 -7.325 -5.307
81 HB1 ALA 10 1HB ALA 10 -2.390 -4.611 -4.430
82 HB2 ALA 10 2HB ALA 10 -0.696 -5.139 -4.410
83 HB3 ALA 10 3HB ALA 10 -1.540 -4.930 -5.958
84 H GLY 11 H GLY 11 -4.242 -7.466 -3.642
85 HA2 GLY 11 2HA GLY 11 -4.852 -8.196 -1.629
86 HA3 GLY 11 3HA GLY 11 -3.333 -9.129 -1.619
87 H TYR 12 H TYR 12 -4.087 -5.634 -1.344
88 HA TYR 12 HA TYR 12 -2.252 -5.093 0.709
89 HB2 TYR 12 2HB TYR 12 -2.892 -3.006 0.429
90 HB3 TYR 12 3HB TYR 12 -3.899 -3.579 -0.864
91 HD1 TYR 12 HD1 TYR 12 -6.406 -3.830 -0.485
92 HD2 TYR 12 HD2 TYR 12 -3.772 -2.248 2.529
93 HE1 TYR 12 HE1 TYR 12 -8.354 -2.839 0.717
94 HE2 TYR 12 HE2 TYR 12 -5.683 -1.244 3.707
95 HH TYR 12 HH TYR 12 -7.908 -1.001 3.788
96 H GLN 13 H GLN 13 -2.244 -5.120 2.905
97 HA GLN 13 HA GLN 13 -4.615 -6.280 4.329
98 HB2 GLN 13 2HB GLN 13 -3.156 -7.236 5.961
99 HB3 GLN 13 3HB GLN 13 -2.648 -7.747 4.369
100 HG2 GLN 13 2HG GLN 13 -0.877 -5.890 4.451
101 HG3 GLN 13 3HG GLN 13 -1.326 -5.723 6.143
102 HE21 GLN 13 1HE2 GLN 13 1.038 -6.048 6.147
103 HE22 GLN 13 2HE2 GLN 13 1.344 -7.646 6.779
104 H GLU 14 H GLU 14 -4.638 -5.591 6.724
105 HA GLU 14 HA GLU 14 -4.683 -2.668 6.716
106 HB2 GLU 14 2HB GLU 14 -6.032 -2.859 8.678
107 HB3 GLU 14 3HB GLU 14 -6.524 -4.023 7.445
108 HG2 GLU 14 2HG GLU 14 -5.202 -5.790 8.706
109 HG3 GLU 14 3HG GLU 14 -5.001 -4.610 10.004
110 H SER 15 H SER 15 -2.159 -4.561 7.223
111 HA SER 15 HA SER 15 -0.894 -2.650 9.122
112 HB2 SER 15 2HB SER 15 0.214 -4.685 10.271
113 HB3 SER 15 3HB SER 15 -1.437 -4.288 10.672
114 HG SER 15 HG SER 15 -1.865 -6.281 10.059
115 HA PRO 16 HA PRO 16 2.965 -3.106 6.891
116 HB2 PRO 16 2HB PRO 16 4.306 -3.382 9.543
117 HB3 PRO 16 3HB PRO 16 4.687 -2.259 8.236
118 HG2 PRO 16 2HG PRO 16 3.401 -1.400 10.466
119 HG3 PRO 16 3HG PRO 16 2.885 -0.810 8.857
120 HD2 PRO 16 2HD PRO 16 1.588 -3.011 10.525
121 HD3 PRO 16 3HD PRO 16 0.859 -1.665 9.627
122 H ASN 17 H ASN 17 4.644 -4.636 6.431
123 HA ASN 17 HA ASN 17 4.337 -7.397 7.569
124 HB2 ASN 17 2HB ASN 17 3.310 -7.261 5.378
125 HB3 ASN 17 3HB ASN 17 4.672 -6.433 4.701
126 HD21 ASN 17 1HD2 ASN 17 3.945 -8.477 3.260
127 HD22 ASN 17 2HD2 ASN 17 4.761 -9.986 3.645
128 H GLY 18 H GLY 18 6.110 -7.518 8.909
129 HA2 GLY 18 2HA GLY 18 8.291 -7.451 9.642
130 HA3 GLY 18 3HA GLY 18 8.740 -7.807 7.970
131 H ALA 19 H ALA 19 10.075 -6.381 7.136
132 HA ALA 19 HA ALA 19 10.422 -3.686 8.228
133 HB1 ALA 19 1HB ALA 19 12.327 -5.161 7.680
134 HB2 ALA 19 2HB ALA 19 11.865 -5.116 5.962
135 HB3 ALA 19 3HB ALA 19 12.392 -3.634 6.789
136 H LYS 20 H LYS 20 8.043 -4.615 6.139
137 HA LYS 20 HA LYS 20 8.319 -2.253 4.324
138 HB2 LYS 20 2HB LYS 20 6.723 -4.799 3.862
139 HB3 LYS 20 3HB LYS 20 7.008 -3.476 2.749
140 HG2 LYS 20 2HG LYS 20 8.554 -4.887 1.913
141 HG3 LYS 20 3HG LYS 20 9.578 -4.137 3.155
142 HD2 LYS 20 2HD LYS 20 9.028 -6.024 4.663
143 HD3 LYS 20 3HD LYS 20 8.044 -6.769 3.397
144 HE2 LYS 20 2HE LYS 20 10.023 -6.955 1.943
145 HE3 LYS 20 3HE LYS 20 11.024 -6.140 3.155
146 HZ1 LYS 20 1HZ LYS 20 10.653 -7.986 4.658
147 HZ2 LYS 20 2HZ LYS 20 9.622 -8.716 3.619
148 HZ3 LYS 20 3HZ LYS 20 11.232 -8.562 3.232
149 H ARG 21 H ARG 21 6.798 -0.708 4.273
150 HA ARG 21 HA ARG 21 4.006 -1.457 4.588
151 HB2 ARG 21 2HB ARG 21 3.343 -0.151 6.325
152 HB3 ARG 21 3HB ARG 21 4.949 -0.576 6.911
153 HG2 ARG 21 2HG ARG 21 5.814 1.625 6.092
154 HG3 ARG 21 3HG ARG 21 4.162 2.012 5.553
155 HD2 ARG 21 2HD ARG 21 3.385 1.621 7.925
156 HD3 ARG 21 3HD ARG 21 5.078 1.623 8.411
157 HE ARG 21 HE ARG 21 3.412 3.877 7.468
158 HH11 ARG 21 1HH1 ARG 21 6.761 2.960 8.282
159 HH12 ARG 21 2HH1 ARG 21 7.180 4.659 8.475
160 HH21 ARG 21 1HH2 ARG 21 4.086 5.865 8.067
161 HH22 ARG 21 2HH2 ARG 21 5.810 6.175 8.355
162 H CYS 22 H CYS 22 2.540 0.426 3.838
163 HA CYS 22 HA CYS 22 3.296 1.527 1.451
164 HB2 CYS 22 2HB CYS 22 1.275 2.476 3.540
165 HB3 CYS 22 3HB CYS 22 1.248 2.893 1.814
166 H GLY 23 H GLY 23 3.156 3.376 4.527
167 HA2 GLY 23 2HA GLY 23 4.265 5.808 3.684
168 HA3 GLY 23 3HA GLY 23 4.333 5.133 5.310
169 H THR 24 H THR 24 6.007 2.831 3.743
170 HA THR 24 HA THR 24 8.527 4.367 3.334
171 HB THR 24 HB THR 24 9.760 2.278 3.404
172 HG1 THR 24 HG1 THR 24 8.954 0.458 3.980
173 HG21 THR 24 1HG2 THR 24 8.173 2.771 5.962
174 HG22 THR 24 2HG2 THR 24 9.758 1.981 5.833
175 HG23 THR 24 3HG2 THR 24 9.595 3.699 5.436
176 H CYS 25 H CYS 25 7.361 1.303 2.005
177 HA CYS 25 HA CYS 25 7.581 0.508 -0.220
178 HB2 CYS 25 2HB CYS 25 5.248 1.016 0.425
179 HB3 CYS 25 3HB CYS 25 5.393 2.613 -0.299
180 H ARG 26 H ARG 26 6.622 2.039 -2.485
181 HA ARG 26 HA ARG 26 8.922 3.873 -3.065
182 HB2 ARG 26 2HB ARG 26 8.623 1.678 -4.455
183 HB3 ARG 26 3HB ARG 26 7.281 2.534 -5.209
184 HG2 ARG 26 2HG ARG 26 9.070 2.918 -6.636
185 HG3 ARG 26 3HG ARG 26 8.998 4.422 -5.703
186 HD2 ARG 26 2HD ARG 26 10.828 3.528 -4.218
187 HD3 ARG 26 3HD ARG 26 10.866 2.059 -5.204
188 HE ARG 26 HE ARG 26 11.332 4.690 -6.535
189 HH11 ARG 26 1HH1 ARG 26 12.923 1.773 -5.326
190 HH12 ARG 26 2HH1 ARG 26 14.382 2.207 -6.237
191 HH21 ARG 26 1HH2 ARG 26 13.152 4.830 -7.848
192 HH22 ARG 26 2HH2 ARG 26 14.545 3.838 -7.408
193 H GLN 27 H GLN 27 5.330 3.362 -3.547
194 HA GLN 27 HA GLN 27 5.114 6.336 -3.607
195 HB2 GLN 27 2HB GLN 27 4.042 4.576 -5.837
196 HB3 GLN 27 3HB GLN 27 3.795 6.307 -5.634
197 HG2 GLN 27 2HG GLN 27 6.337 6.569 -5.769
198 HG3 GLN 27 3HG GLN 27 6.369 4.902 -6.370
199 HE21 GLN 27 1HE2 GLN 27 4.868 8.120 -6.933
200 HE22 GLN 27 2HE2 GLN 27 4.820 7.952 -8.695
201 H PHE 28 H PHE 28 4.202 5.283 -1.356
202 HA PHE 28 HA PHE 28 1.297 5.033 -1.435
203 HB2 PHE 28 2HB PHE 28 2.461 4.447 0.579
204 HB3 PHE 28 3HB PHE 28 3.186 6.049 0.715
205 HD1 PHE 28 HD1 PHE 28 -0.241 4.475 0.435
206 HD2 PHE 28 HD2 PHE 28 2.201 7.514 2.274
207 HE1 PHE 28 HE1 PHE 28 -2.208 5.295 1.709
208 HE2 PHE 28 HE2 PHE 28 0.233 8.281 3.587
209 HZ PHE 28 HZ PHE 28 -1.974 7.191 3.292
210 H ARG 29 H ARG 29 -0.278 6.686 -1.193
211 HA ARG 29 HA ARG 29 0.594 9.464 -1.899
212 HB2 ARG 29 2HB ARG 29 -0.115 8.237 -3.879
213 HB3 ARG 29 3HB ARG 29 -1.642 7.823 -3.120
214 HG2 ARG 29 2HG ARG 29 -2.017 9.600 -4.676
215 HG3 ARG 29 3HG ARG 29 -2.259 10.239 -3.048
216 HD2 ARG 29 2HD ARG 29 0.029 11.193 -3.104
217 HD3 ARG 29 3HD ARG 29 0.256 10.563 -4.736
218 HE ARG 29 HE ARG 29 -2.079 12.000 -5.005
219 HH11 ARG 29 1HH1 ARG 29 1.164 13.125 -4.037
220 HH12 ARG 29 2HH1 ARG 29 0.797 14.709 -4.688
221 HH21 ARG 29 1HH2 ARG 29 -2.329 13.873 -5.803
222 HH22 ARG 29 2HH2 ARG 29 -1.107 15.126 -5.722
223 HA PRO 30 HA PRO 30 -1.866 9.837 1.954
224 HB2 PRO 30 2HB PRO 30 -0.538 12.538 1.806
225 HB3 PRO 30 3HB PRO 30 -0.773 11.481 3.227
226 HG2 PRO 30 2HG PRO 30 1.641 11.686 1.967
227 HG3 PRO 30 3HG PRO 30 1.070 10.125 2.615
228 HD2 PRO 30 2HD PRO 30 1.070 11.091 -0.238
229 HD3 PRO 30 3HD PRO 30 1.376 9.456 0.413
230 HA PRO 31 HA PRO 31 -3.175 11.078 3.395
231 HB2 PRO 31 2HB PRO 31 -5.765 11.424 4.106
232 HB3 PRO 31 3HB PRO 31 -4.652 12.800 3.841
233 HG2 PRO 31 2HG PRO 31 -6.613 11.601 1.847
234 HG3 PRO 31 3HG PRO 31 -6.460 13.321 2.339
235 HD2 PRO 31 2HD PRO 31 -5.219 12.408 0.118
236 HD3 PRO 31 3HD PRO 31 -4.396 13.559 1.197
237 H SER 32 H SER 32 -5.117 9.537 0.838
238 HA SER 32 HA SER 32 -5.240 7.040 2.446
239 HB2 SER 32 2HB SER 32 -7.636 6.882 2.308
240 HB3 SER 32 3HB SER 32 -7.243 8.468 2.987
241 HG SER 32 HG SER 32 -8.016 7.821 0.336
242 H SER 33 H SER 33 -3.741 7.543 -0.004
243 HA SER 33 HA SER 33 -5.077 5.623 -1.863
244 HB2 SER 33 2HB SER 33 -3.910 8.334 -2.579
245 HB3 SER 33 3HB SER 33 -4.513 7.137 -3.723
246 HG SER 33 HG SER 33 -5.887 8.804 -1.966
247 H CYS 34 H CYS 34 -3.531 5.094 -3.751
248 HA CYS 34 HA CYS 34 -0.668 5.129 -2.979
249 HB2 CYS 34 2HB CYS 34 -1.661 2.922 -2.296
250 HB3 CYS 34 3HB CYS 34 -2.079 2.637 -4.004
251 H ILE 35 H ILE 35 0.714 4.821 -4.766
252 HA ILE 35 HA ILE 35 -0.426 5.036 -7.502
253 HB ILE 35 HB ILE 35 1.710 6.839 -6.329
254 HG12 ILE 35 2HG1 ILE 35 -0.948 7.351 -7.739
255 HG13 ILE 35 3HG1 ILE 35 -0.627 7.545 -6.024
256 HG21 ILE 35 1HG2 ILE 35 1.026 6.494 -9.284
257 HG22 ILE 35 2HG2 ILE 35 2.047 7.787 -8.609
258 HG23 ILE 35 3HG2 ILE 35 2.587 6.138 -8.505
259 HD11 ILE 35 1HD1 ILE 35 0.433 9.285 -8.264
260 HD12 ILE 35 2HD1 ILE 35 -0.653 9.718 -6.945
261 HD13 ILE 35 3HD1 ILE 35 1.050 9.349 -6.594
262 H THR 36 H THR 36 1.554 3.298 -5.340
263 HA THR 36 HA THR 36 2.800 1.836 -7.604
264 HB THR 36 HB THR 36 3.363 0.303 -5.412
265 HG1 THR 36 HG1 THR 36 2.993 1.638 -3.810
266 HG21 THR 36 1HG2 THR 36 4.884 1.032 -7.252
267 HG22 THR 36 2HG2 THR 36 5.054 2.601 -6.445
268 HG23 THR 36 3HG2 THR 36 5.592 1.103 -5.636
269 H VAL 37 H VAL 37 -0.016 1.719 -5.561
270 HA VAL 37 HA VAL 37 -1.113 -0.206 -7.551
271 HB VAL 37 HB VAL 37 -2.600 -1.212 -5.890
272 HG11 VAL 37 1HG1 VAL 37 0.325 -1.536 -5.182
273 HG12 VAL 37 2HG1 VAL 37 -0.977 -2.664 -4.831
274 HG13 VAL 37 3HG1 VAL 37 -0.535 -2.337 -6.524
275 HG21 VAL 37 1HG2 VAL 37 -2.640 0.491 -4.121
276 HG22 VAL 37 2HG2 VAL 37 -2.142 -1.079 -3.483
277 HG23 VAL 37 3HG2 VAL 37 -0.924 0.167 -3.762
278 H GLU 38 H GLU 38 -3.699 -0.064 -7.364
279 HA GLU 38 HA GLU 38 -4.532 2.695 -7.662
280 HB2 GLU 38 2HB GLU 38 -6.136 0.130 -7.346
281 HB3 GLU 38 3HB GLU 38 -6.854 1.714 -7.580
282 HG2 GLU 38 2HG GLU 38 -5.551 2.023 -9.641
283 HG3 GLU 38 3HG GLU 38 -4.955 0.370 -9.515
284 H SER 39 H SER 39 -6.115 3.777 -6.514
285 HA SER 39 HA SER 39 -5.956 3.733 -3.578
286 HB2 SER 39 2HB SER 39 -7.499 5.735 -3.867
287 HB3 SER 39 3HB SER 39 -5.927 5.881 -4.677
288 HG SER 39 HG SER 39 -7.895 6.454 -5.906
289 HA PRO 40 HA PRO 40 -7.350 4.596 -1.899
290 HB2 PRO 40 2HB PRO 40 -8.944 4.111 0.185
291 HB3 PRO 40 3HB PRO 40 -9.516 5.040 -1.234
292 HG2 PRO 40 2HG PRO 40 -9.998 2.112 -0.610
293 HG3 PRO 40 3HG PRO 40 -11.180 3.344 -1.150
294 HD2 PRO 40 2HD PRO 40 -9.906 1.571 -2.866
295 HD3 PRO 40 3HD PRO 40 -10.505 3.179 -3.358
296 H ILE 41 H ILE 41 -6.093 4.279 -0.061
297 HA ILE 41 HA ILE 41 -5.373 1.612 0.965
298 HB ILE 41 HB ILE 41 -3.629 3.317 -0.816
299 HG12 ILE 41 2HG1 ILE 41 -4.710 1.441 -1.909
300 HG13 ILE 41 3HG1 ILE 41 -2.985 1.192 -1.839
301 HG21 ILE 41 1HG2 ILE 41 -2.404 1.373 1.179
302 HG22 ILE 41 2HG2 ILE 41 -1.588 2.090 -0.202
303 HG23 ILE 41 3HG2 ILE 41 -2.149 3.128 1.079
304 HD11 ILE 41 1HD1 ILE 41 -3.969 -0.908 -1.388
305 HD12 ILE 41 2HD1 ILE 41 -3.342 -0.355 0.156
306 HD13 ILE 41 3HD1 ILE 41 -5.086 -0.242 -0.185
307 H SER 42 H SER 42 -3.527 1.970 2.674
308 HA SER 42 HA SER 42 -4.029 4.447 4.287
309 HB2 SER 42 2HB SER 42 -5.249 2.591 5.277
310 HB3 SER 42 3HB SER 42 -3.831 1.543 5.169
311 HG SER 42 HG SER 42 -3.450 2.180 7.084
312 H GLU 43 H GLU 43 -2.096 5.174 5.540
313 HA GLU 43 HA GLU 43 0.382 4.630 4.246
314 HB2 GLU 43 2HB GLU 43 1.445 5.985 5.798
315 HB3 GLU 43 3HB GLU 43 -0.128 6.706 5.541
316 HG2 GLU 43 2HG GLU 43 -0.757 6.463 7.670
317 HG3 GLU 43 3HG GLU 43 -0.084 4.861 7.872
318 H ASN 44 H ASN 44 -1.198 2.680 6.472
319 HA ASN 44 HA ASN 44 1.246 1.088 7.088
320 HB2 ASN 44 2HB ASN 44 0.027 0.200 8.992
321 HB3 ASN 44 3HB ASN 44 0.031 1.953 9.063
322 HD21 ASN 44 1HD2 ASN 44 -1.547 1.810 10.586
323 HD22 ASN 44 2HD2 ASN 44 -3.213 1.661 10.082
324 H GLY 45 H GLY 45 -0.954 1.118 4.684
325 HA2 GLY 45 2HA GLY 45 -2.304 -1.395 5.059
326 HA3 GLY 45 3HA GLY 45 -2.501 -0.261 3.728
327 H TRP 46 H TRP 46 0.293 -2.306 4.803
328 HA TRP 46 HA TRP 46 1.515 -2.248 2.346
329 HB2 TRP 46 2HB TRP 46 2.578 -3.088 4.413
330 HB3 TRP 46 3HB TRP 46 1.604 -4.542 4.310
331 HD1 TRP 46 HD1 TRP 46 4.450 -2.774 2.441
332 HE1 TRP 46 HE1 TRP 46 5.691 -4.437 0.948
333 HE3 TRP 46 HE3 TRP 46 1.451 -6.863 3.084
334 HZ2 TRP 46 HZ2 TRP 46 5.458 -7.186 0.151
335 HZ3 TRP 46 HZ3 TRP 46 1.865 -8.930 1.753
336 HH2 TRP 46 HH2 TRP 46 3.887 -9.112 0.319
337 H CYS 47 H CYS 47 1.472 -3.139 0.406
338 HA CYS 47 HA CYS 47 -0.178 -5.574 -0.096
339 HB2 CYS 47 2HB CYS 47 -1.045 -4.595 -2.040
340 HB3 CYS 47 3HB CYS 47 -0.922 -3.162 -0.985
341 H ARG 48 H ARG 48 0.427 -6.733 -2.032
342 HA ARG 48 HA ARG 48 3.196 -7.565 -1.972
343 HB2 ARG 48 2HB ARG 48 0.925 -8.161 -3.919
344 HB3 ARG 48 3HB ARG 48 2.448 -9.052 -3.834
345 HG2 ARG 48 2HG ARG 48 1.956 -9.888 -1.626
346 HG3 ARG 48 3HG ARG 48 0.503 -8.878 -1.478
347 HD2 ARG 48 2HD ARG 48 -0.585 -10.014 -3.307
348 HD3 ARG 48 3HD ARG 48 0.899 -10.889 -3.693
349 HE ARG 48 HE ARG 48 -0.522 -11.254 -1.060
350 HH11 ARG 48 1HH1 ARG 48 0.704 -12.889 -3.973
351 HH12 ARG 48 2HH1 ARG 48 0.550 -14.437 -3.142
352 HH21 ARG 48 1HH2 ARG 48 -0.759 -13.184 -0.292
353 HH22 ARG 48 2HH2 ARG 48 -0.318 -14.617 -1.244
354 H LEU 49 H LEU 49 1.772 -4.943 -3.654
355 HA LEU 49 HA LEU 49 3.783 -5.048 -5.847
356 HB2 LEU 49 2HB LEU 49 1.062 -3.898 -5.558
357 HB3 LEU 49 3HB LEU 49 2.195 -2.944 -6.490
358 HG LEU 49 HG LEU 49 0.821 -4.364 -7.899
359 HD11 LEU 49 1HD1 LEU 49 3.133 -3.787 -8.616
360 HD12 LEU 49 2HD1 LEU 49 3.698 -5.351 -7.996
361 HD13 LEU 49 3HD1 LEU 49 2.525 -5.292 -9.323
362 HD21 LEU 49 1HD2 LEU 49 0.509 -6.289 -6.362
363 HD22 LEU 49 2HD2 LEU 49 1.015 -6.775 -7.988
364 HD23 LEU 49 3HD2 LEU 49 2.187 -6.774 -6.656
365 H TYR 50 H TYR 50 3.602 -3.803 -2.770
366 HA TYR 50 HA TYR 50 5.199 -1.589 -2.630
367 HB2 TYR 50 2HB TYR 50 4.710 -3.027 -0.748
368 HB3 TYR 50 3HB TYR 50 5.551 -4.381 -1.475
369 HD1 TYR 50 HD1 TYR 50 8.050 -4.389 -1.665
370 HD2 TYR 50 HD2 TYR 50 5.908 -1.421 0.614
371 HE1 TYR 50 HE1 TYR 50 10.149 -3.769 -0.515
372 HE2 TYR 50 HE2 TYR 50 8.010 -0.874 1.859
373 HH TYR 50 HH TYR 50 10.249 -1.371 2.155
374 H ALA 51 H ALA 51 7.294 -0.984 -3.115
375 HA ALA 51 HA ALA 51 9.144 -2.942 -4.345
376 HB1 ALA 51 1HB ALA 51 8.652 -0.203 -5.571
377 HB2 ALA 51 2HB ALA 51 9.715 -1.494 -6.170
378 HB3 ALA 51 3HB ALA 51 7.959 -1.708 -6.182
379 H GLY 52 H GLY 52 11.360 -2.466 -4.068
380 HA2 GLY 52 2HA GLY 52 11.877 -1.313 -1.506
381 HA3 GLY 52 3HA GLY 52 13.057 -2.063 -2.564
382 H LYS 53 H LYS 53 13.662 0.104 -1.014
383 HA LYS 53 HA LYS 53 13.577 2.611 -2.526
384 HB2 LYS 53 2HB LYS 53 13.607 1.766 0.198
385 HB3 LYS 53 3HB LYS 53 15.145 2.568 -0.054
386 HG2 LYS 53 2HG LYS 53 13.551 4.113 0.782
387 HG3 LYS 53 3HG LYS 53 13.926 4.567 -0.905
388 HD2 LYS 53 2HD LYS 53 11.800 3.635 -1.636
389 HD3 LYS 53 3HD LYS 53 11.500 3.007 0.006
390 HE2 LYS 53 2HE LYS 53 11.377 5.221 0.935
391 HE3 LYS 53 3HE LYS 53 12.001 5.963 -0.548
392 HZ1 LYS 53 1HZ LYS 53 10.029 5.421 -1.680
393 HZ2 LYS 53 2HZ LYS 53 9.432 4.509 -0.426
394 HZ3 LYS 53 3HZ LYS 53 9.556 6.155 -0.300
395 H ALA 54 H ALA 54 14.838 2.514 -4.233
396 HA ALA 54 HA ALA 54 17.753 2.612 -4.039
397 HB1 ALA 54 1HB ALA 54 17.388 0.168 -4.038
398 HB2 ALA 54 2HB ALA 54 16.409 0.296 -5.514
399 HB3 ALA 54 3HB ALA 54 18.141 0.682 -5.556
Start of MODEL 5
1 H1 VAL 1 1H VAL 1 -7.656 9.137 -14.504
2 H2 VAL 1 2H VAL 1 -7.114 10.137 -15.681
3 H3 VAL 1 3H VAL 1 -6.634 8.572 -15.658
4 HA VAL 1 HA VAL 1 -9.382 9.527 -16.107
5 HB VAL 1 HB VAL 1 -9.204 8.581 -18.369
6 HG11 VAL 1 1HG1 VAL 1 -7.216 10.824 -17.830
7 HG12 VAL 1 2HG1 VAL 1 -8.116 10.510 -19.320
8 HG13 VAL 1 3HG1 VAL 1 -8.985 11.010 -17.864
9 HG21 VAL 1 1HG2 VAL 1 -7.217 7.099 -18.138
10 HG22 VAL 1 2HG2 VAL 1 -7.026 8.278 -19.434
11 HG23 VAL 1 3HG2 VAL 1 -6.183 8.529 -17.900
12 H THR 2 H THR 2 -7.349 6.570 -15.755
13 HA THR 2 HA THR 2 -9.883 5.052 -15.269
14 HB THR 2 HB THR 2 -8.843 4.574 -17.482
15 HG1 THR 2 HG1 THR 2 -9.381 2.558 -17.313
16 HG21 THR 2 1HG2 THR 2 -6.707 3.133 -15.855
17 HG22 THR 2 2HG2 THR 2 -6.931 3.092 -17.612
18 HG23 THR 2 3HG2 THR 2 -6.430 4.599 -16.829
19 H LYS 3 H LYS 3 -9.117 2.803 -14.228
20 HA LYS 3 HA LYS 3 -8.262 3.738 -11.562
21 HB2 LYS 3 2HB LYS 3 -10.459 2.491 -12.267
22 HB3 LYS 3 3HB LYS 3 -9.469 1.040 -12.158
23 HG2 LYS 3 2HG LYS 3 -9.014 1.527 -9.768
24 HG3 LYS 3 3HG LYS 3 -9.908 3.059 -9.917
25 HD2 LYS 3 2HD LYS 3 -11.940 1.726 -10.625
26 HD3 LYS 3 3HD LYS 3 -11.038 0.254 -10.323
27 HE2 LYS 3 2HE LYS 3 -12.524 0.698 -8.479
28 HE3 LYS 3 3HE LYS 3 -10.860 0.851 -7.916
29 HZ1 LYS 3 1HZ LYS 3 -11.083 3.228 -7.925
30 HZ2 LYS 3 2HZ LYS 3 -12.525 3.175 -8.725
31 HZ3 LYS 3 3HZ LYS 3 -12.406 2.663 -7.167
32 H LYS 4 H LYS 4 -6.825 2.720 -10.210
33 HA LYS 4 HA LYS 4 -4.534 1.318 -11.373
34 HB2 LYS 4 2HB LYS 4 -5.333 2.233 -8.598
35 HB3 LYS 4 3HB LYS 4 -3.937 1.194 -8.795
36 HG2 LYS 4 2HG LYS 4 -4.029 3.455 -10.686
37 HG3 LYS 4 3HG LYS 4 -3.904 3.937 -8.991
38 HD2 LYS 4 2HD LYS 4 -1.741 3.845 -10.153
39 HD3 LYS 4 3HD LYS 4 -1.817 2.772 -8.748
40 HE2 LYS 4 2HE LYS 4 -1.913 0.837 -10.049
41 HE3 LYS 4 3HE LYS 4 -2.495 1.683 -11.474
42 HZ1 LYS 4 1HZ LYS 4 -0.139 0.975 -11.628
43 HZ2 LYS 4 2HZ LYS 4 -0.341 2.595 -11.856
44 HZ3 LYS 4 3HZ LYS 4 0.246 2.039 -10.432
45 H ALA 5 H ALA 5 -3.707 -0.540 -9.915
46 HA ALA 5 HA ALA 5 -5.438 -2.867 -10.382
47 HB1 ALA 5 1HB ALA 5 -2.811 -2.607 -8.852
48 HB2 ALA 5 2HB ALA 5 -3.606 -4.124 -9.314
49 HB3 ALA 5 3HB ALA 5 -2.969 -3.044 -10.569
50 H SER 6 H SER 6 -6.488 -4.151 -8.715
51 HA SER 6 HA SER 6 -7.340 -2.623 -6.421
52 HB2 SER 6 2HB SER 6 -8.717 -4.303 -5.821
53 HB3 SER 6 3HB SER 6 -8.586 -4.592 -7.558
54 HG SER 6 HG SER 6 -8.249 -6.547 -6.643
55 H HIS 7 H HIS 7 -6.989 -3.058 -4.292
56 HA HIS 7 HA HIS 7 -4.378 -3.252 -3.203
57 HB2 HIS 7 2HB HIS 7 -5.954 -4.060 -1.148
58 HB3 HIS 7 3HB HIS 7 -5.892 -2.385 -1.686
59 HD2 HIS 7 HD2 HIS 7 -8.013 -1.370 -2.937
60 HE1 HIS 7 HE1 HIS 7 -10.405 -4.891 -3.133
61 HE2 HIS 7 HE2 HIS 7 -10.303 -2.395 -3.681
62 H LYS 8 H LYS 8 -6.858 -5.750 -3.263
63 HA LYS 8 HA LYS 8 -5.357 -8.019 -2.499
64 HB2 LYS 8 2HB LYS 8 -7.776 -8.031 -2.641
65 HB3 LYS 8 3HB LYS 8 -7.717 -7.817 -4.391
66 HG2 LYS 8 2HG LYS 8 -8.166 -10.085 -3.864
67 HG3 LYS 8 3HG LYS 8 -6.615 -10.025 -4.658
68 HD2 LYS 8 2HD LYS 8 -5.464 -10.236 -2.450
69 HD3 LYS 8 3HD LYS 8 -7.046 -10.266 -1.646
70 HE2 LYS 8 2HE LYS 8 -7.621 -12.342 -2.811
71 HE3 LYS 8 3HE LYS 8 -6.097 -12.298 -3.717
72 HZ1 LYS 8 1HZ LYS 8 -6.071 -13.774 -1.731
73 HZ2 LYS 8 2HZ LYS 8 -4.895 -12.622 -1.672
74 HZ3 LYS 8 3HZ LYS 8 -6.259 -12.453 -0.763
75 H ASP 9 H ASP 9 -6.006 -7.001 -5.849
76 HA ASP 9 HA ASP 9 -4.450 -8.896 -7.221
77 HB2 ASP 9 2HB ASP 9 -6.092 -7.028 -7.994
78 HB3 ASP 9 3HB ASP 9 -4.666 -6.022 -8.104
79 H ALA 10 H ALA 10 -3.409 -5.844 -5.791
80 HA ALA 10 HA ALA 10 -0.586 -6.171 -6.513
81 HB1 ALA 10 1HB ALA 10 -1.976 -4.269 -4.596
82 HB2 ALA 10 2HB ALA 10 -0.321 -4.103 -5.197
83 HB3 ALA 10 3HB ALA 10 -1.692 -3.962 -6.325
84 H GLY 11 H GLY 11 -2.443 -7.681 -4.105
85 HA2 GLY 11 2HA GLY 11 -1.753 -9.160 -2.467
86 HA3 GLY 11 3HA GLY 11 -0.081 -8.640 -2.659
87 H TYR 12 H TYR 12 -2.449 -6.129 -2.062
88 HA TYR 12 HA TYR 12 -1.213 -5.316 0.395
89 HB2 TYR 12 2HB TYR 12 -2.154 -3.663 -1.096
90 HB3 TYR 12 3HB TYR 12 -3.719 -4.406 -0.989
91 HD1 TYR 12 HD1 TYR 12 -5.164 -4.207 1.028
92 HD2 TYR 12 HD2 TYR 12 -1.415 -2.097 0.645
93 HE1 TYR 12 HE1 TYR 12 -5.825 -2.693 2.877
94 HE2 TYR 12 HE2 TYR 12 -2.116 -0.546 2.443
95 HH TYR 12 HH TYR 12 -3.543 -0.263 4.168
96 H GLN 13 H GLN 13 -2.052 -5.135 2.436
97 HA GLN 13 HA GLN 13 -4.196 -6.995 3.306
98 HB2 GLN 13 2HB GLN 13 -2.600 -7.712 5.166
99 HB3 GLN 13 3HB GLN 13 -2.315 -8.371 3.580
100 HG2 GLN 13 2HG GLN 13 -0.498 -6.687 3.182
101 HG3 GLN 13 3HG GLN 13 -0.782 -6.059 4.812
102 HE21 GLN 13 1HE2 GLN 13 1.352 -6.383 5.143
103 HE22 GLN 13 2HE2 GLN 13 1.825 -7.947 5.772
104 H GLU 14 H GLU 14 -4.895 -6.676 5.465
105 HA GLU 14 HA GLU 14 -5.407 -4.025 6.189
106 HB2 GLU 14 2HB GLU 14 -6.134 -5.024 8.385
107 HB3 GLU 14 3HB GLU 14 -6.789 -5.877 6.990
108 HG2 GLU 14 2HG GLU 14 -5.589 -7.794 7.401
109 HG3 GLU 14 3HG GLU 14 -4.181 -6.954 7.991
110 H SER 15 H SER 15 -2.462 -5.729 6.955
111 HA SER 15 HA SER 15 -1.597 -3.430 8.539
112 HB2 SER 15 2HB SER 15 -0.806 -4.972 10.412
113 HB3 SER 15 3HB SER 15 -2.471 -4.434 10.406
114 HG SER 15 HG SER 15 -3.129 -6.470 10.074
115 HA PRO 16 HA PRO 16 2.297 -3.771 6.810
116 HB2 PRO 16 2HB PRO 16 3.517 -3.619 9.530
117 HB3 PRO 16 3HB PRO 16 3.882 -2.643 8.103
118 HG2 PRO 16 2HG PRO 16 2.345 -1.725 10.160
119 HG3 PRO 16 3HG PRO 16 1.981 -1.279 8.465
120 HD2 PRO 16 2HD PRO 16 0.528 -3.187 10.228
121 HD3 PRO 16 3HD PRO 16 -0.029 -2.203 8.856
122 H ASN 17 H ASN 17 4.159 -4.914 6.363
123 HA ASN 17 HA ASN 17 4.413 -7.674 7.485
124 HB2 ASN 17 2HB ASN 17 3.891 -7.583 5.079
125 HB3 ASN 17 3HB ASN 17 5.226 -6.472 4.803
126 HD21 ASN 17 1HD2 ASN 17 5.658 -8.267 3.171
127 HD22 ASN 17 2HD2 ASN 17 6.602 -9.632 3.723
128 H GLY 18 H GLY 18 5.836 -7.455 9.203
129 HA2 GLY 18 2HA GLY 18 7.816 -7.142 10.315
130 HA3 GLY 18 3HA GLY 18 8.563 -7.444 8.748
131 H ALA 19 H ALA 19 9.584 -5.813 7.714
132 HA ALA 19 HA ALA 19 9.963 -3.268 9.164
133 HB1 ALA 19 1HB ALA 19 11.887 -4.660 8.545
134 HB2 ALA 19 2HB ALA 19 11.461 -4.509 6.825
135 HB3 ALA 19 3HB ALA 19 11.954 -3.076 7.758
136 H LYS 20 H LYS 20 7.904 -4.212 6.585
137 HA LYS 20 HA LYS 20 7.980 -1.463 5.379
138 HB2 LYS 20 2HB LYS 20 6.990 -3.959 3.983
139 HB3 LYS 20 3HB LYS 20 7.326 -2.370 3.310
140 HG2 LYS 20 2HG LYS 20 9.254 -3.284 2.625
141 HG3 LYS 20 3HG LYS 20 9.819 -3.003 4.269
142 HD2 LYS 20 2HD LYS 20 8.933 -5.350 4.811
143 HD3 LYS 20 3HD LYS 20 8.660 -5.567 3.081
144 HE2 LYS 20 2HE LYS 20 11.052 -5.144 2.617
145 HE3 LYS 20 3HE LYS 20 11.362 -4.899 4.346
146 HZ1 LYS 20 1HZ LYS 20 10.357 -7.423 3.144
147 HZ2 LYS 20 2HZ LYS 20 11.904 -7.169 3.595
148 HZ3 LYS 20 3HZ LYS 20 10.717 -7.190 4.738
149 H ARG 21 H ARG 21 6.241 -0.287 5.220
150 HA ARG 21 HA ARG 21 3.564 -1.516 5.042
151 HB2 ARG 21 2HB ARG 21 2.485 -0.137 6.515
152 HB3 ARG 21 3HB ARG 21 3.961 -0.518 7.406
153 HG2 ARG 21 2HG ARG 21 4.915 1.684 6.774
154 HG3 ARG 21 3HG ARG 21 3.428 2.044 5.864
155 HD2 ARG 21 2HD ARG 21 2.109 1.734 7.966
156 HD3 ARG 21 3HD ARG 21 3.605 1.590 8.865
157 HE ARG 21 HE ARG 21 2.480 3.984 7.517
158 HH11 ARG 21 1HH1 ARG 21 5.287 2.682 9.220
159 HH12 ARG 21 2HH1 ARG 21 5.858 4.248 9.714
160 HH21 ARG 21 1HH2 ARG 21 3.122 5.949 8.452
161 HH22 ARG 21 2HH2 ARG 21 4.599 6.026 9.377
162 H CYS 22 H CYS 22 2.021 0.151 3.934
163 HA CYS 22 HA CYS 22 2.853 1.229 1.569
164 HB2 CYS 22 2HB CYS 22 0.723 2.144 3.566
165 HB3 CYS 22 3HB CYS 22 0.802 2.685 1.881
166 H GLY 23 H GLY 23 2.492 3.323 4.489
167 HA2 GLY 23 2HA GLY 23 3.794 5.616 3.557
168 HA3 GLY 23 3HA GLY 23 3.633 5.121 5.240
169 H THR 24 H THR 24 5.470 2.668 3.911
170 HA THR 24 HA THR 24 8.046 4.128 3.831
171 HB THR 24 HB THR 24 9.145 2.327 5.131
172 HG1 THR 24 HG1 THR 24 7.698 1.124 6.508
173 HG21 THR 24 1HG2 THR 24 8.403 4.464 6.214
174 HG22 THR 24 2HG2 THR 24 6.906 3.648 6.718
175 HG23 THR 24 3HG2 THR 24 8.475 3.089 7.320
176 H CYS 25 H CYS 25 6.028 2.497 1.961
177 HA CYS 25 HA CYS 25 7.758 0.400 0.907
178 HB2 CYS 25 2HB CYS 25 5.817 -0.296 -0.207
179 HB3 CYS 25 3HB CYS 25 5.100 0.523 1.174
180 H ARG 26 H ARG 26 7.431 3.722 0.227
181 HA ARG 26 HA ARG 26 8.307 5.129 -1.297
182 HB2 ARG 26 2HB ARG 26 9.772 2.973 -2.779
183 HB3 ARG 26 3HB ARG 26 10.177 4.666 -2.606
184 HG2 ARG 26 2HG ARG 26 10.339 2.544 -0.405
185 HG3 ARG 26 3HG ARG 26 11.652 3.155 -1.366
186 HD2 ARG 26 2HD ARG 26 11.289 5.445 -0.461
187 HD3 ARG 26 3HD ARG 26 9.891 4.826 0.442
188 HE ARG 26 HE ARG 26 12.263 3.310 1.100
189 HH11 ARG 26 1HH1 ARG 26 10.801 6.422 1.833
190 HH12 ARG 26 2HH1 ARG 26 11.270 6.312 3.497
191 HH21 ARG 26 1HH2 ARG 26 13.131 3.418 2.982
192 HH22 ARG 26 2HH2 ARG 26 13.012 4.847 4.007
193 H GLN 27 H GLN 27 5.906 3.281 -1.848
194 HA GLN 27 HA GLN 27 5.380 4.280 -4.610
195 HB2 GLN 27 2HB GLN 27 5.984 1.810 -4.326
196 HB3 GLN 27 3HB GLN 27 4.501 1.638 -3.422
197 HG2 GLN 27 2HG GLN 27 4.070 0.856 -5.585
198 HG3 GLN 27 3HG GLN 27 3.252 2.403 -5.509
199 HE21 GLN 27 1HE2 GLN 27 3.716 1.301 -7.964
200 HE22 GLN 27 2HE2 GLN 27 4.993 2.209 -8.791
201 H PHE 28 H PHE 28 4.182 4.066 -1.322
202 HA PHE 28 HA PHE 28 1.518 4.837 -1.658
203 HB2 PHE 28 2HB PHE 28 2.593 4.357 0.471
204 HB3 PHE 28 3HB PHE 28 3.562 5.818 0.366
205 HD1 PHE 28 HD1 PHE 28 -0.074 4.765 0.249
206 HD2 PHE 28 HD2 PHE 28 2.837 7.584 1.736
207 HE1 PHE 28 HE1 PHE 28 -1.849 5.939 1.516
208 HE2 PHE 28 HE2 PHE 28 1.056 8.730 3.035
209 HZ PHE 28 HZ PHE 28 -1.292 7.922 2.909
210 H ARG 29 H ARG 29 0.417 6.832 -1.654
211 HA ARG 29 HA ARG 29 1.854 9.203 -2.763
212 HB2 ARG 29 2HB ARG 29 0.797 7.714 -4.523
213 HB3 ARG 29 3HB ARG 29 -0.754 8.052 -3.803
214 HG2 ARG 29 2HG ARG 29 -0.617 9.590 -5.578
215 HG3 ARG 29 3HG ARG 29 -0.223 10.507 -4.121
216 HD2 ARG 29 2HD ARG 29 2.254 9.888 -4.714
217 HD3 ARG 29 3HD ARG 29 1.632 9.476 -6.304
218 HE ARG 29 HE ARG 29 0.715 11.922 -6.254
219 HH11 ARG 29 1HH1 ARG 29 3.829 11.056 -4.691
220 HH12 ARG 29 2HH1 ARG 29 4.393 12.702 -4.933
221 HH21 ARG 29 1HH2 ARG 29 1.740 13.917 -6.573
222 HH22 ARG 29 2HH2 ARG 29 3.314 14.166 -5.824
223 HA PRO 30 HA PRO 30 -0.430 10.271 1.007
224 HB2 PRO 30 2HB PRO 30 1.261 12.762 0.815
225 HB3 PRO 30 3HB PRO 30 0.921 11.737 2.242
226 HG2 PRO 30 2HG PRO 30 3.291 11.568 0.920
227 HG3 PRO 30 3HG PRO 30 2.480 10.090 1.525
228 HD2 PRO 30 2HD PRO 30 2.523 11.217 -1.279
229 HD3 PRO 30 3HD PRO 30 2.690 9.523 -0.727
230 HA PRO 31 HA PRO 31 -1.533 11.495 2.522
231 HB2 PRO 31 2HB PRO 31 -3.868 12.411 3.457
232 HB3 PRO 31 3HB PRO 31 -2.552 13.538 3.014
233 HG2 PRO 31 2HG PRO 31 -4.932 12.731 1.308
234 HG3 PRO 31 3HG PRO 31 -4.378 14.388 1.715
235 HD2 PRO 31 2HD PRO 31 -3.638 13.091 -0.602
236 HD3 PRO 31 3HD PRO 31 -2.572 14.246 0.240
237 H SER 32 H SER 32 -3.677 10.499 -0.039
238 HA SER 32 HA SER 32 -4.649 8.176 1.554
239 HB2 SER 32 2HB SER 32 -6.994 8.694 0.910
240 HB3 SER 32 3HB SER 32 -6.280 9.921 1.954
241 HG SER 32 HG SER 32 -7.435 10.296 -0.361
242 H SER 33 H SER 33 -2.922 8.553 -1.023
243 HA SER 33 HA SER 33 -4.462 6.588 -2.676
244 HB2 SER 33 2HB SER 33 -2.754 8.873 -3.689
245 HB3 SER 33 3HB SER 33 -3.553 7.648 -4.681
246 HG SER 33 HG SER 33 -4.941 9.275 -4.718
247 H CYS 34 H CYS 34 -2.984 5.541 -4.315
248 HA CYS 34 HA CYS 34 -0.190 5.091 -3.368
249 HB2 CYS 34 2HB CYS 34 -1.475 3.316 -2.383
250 HB3 CYS 34 3HB CYS 34 -2.323 2.992 -3.900
251 H ILE 35 H ILE 35 1.232 4.272 -5.047
252 HA ILE 35 HA ILE 35 0.420 5.124 -7.790
253 HB ILE 35 HB ILE 35 3.168 4.485 -6.690
254 HG12 ILE 35 2HG1 ILE 35 1.952 7.154 -7.544
255 HG13 ILE 35 3HG1 ILE 35 2.046 6.608 -5.874
256 HG21 ILE 35 1HG2 ILE 35 4.011 5.434 -8.844
257 HG22 ILE 35 2HG2 ILE 35 3.096 3.973 -9.107
258 HG23 ILE 35 3HG2 ILE 35 2.341 5.543 -9.436
259 HD11 ILE 35 1HD1 ILE 35 4.475 6.561 -5.947
260 HD12 ILE 35 2HD1 ILE 35 4.453 7.188 -7.618
261 HD13 ILE 35 3HD1 ILE 35 3.815 8.167 -6.298
262 H THR 36 H THR 36 0.604 2.230 -5.930
263 HA THR 36 HA THR 36 0.325 0.625 -8.457
264 HB THR 36 HB THR 36 1.210 -0.172 -5.685
265 HG1 THR 36 HG1 THR 36 2.918 -1.006 -6.960
266 HG21 THR 36 1HG2 THR 36 0.599 -2.023 -8.027
267 HG22 THR 36 2HG2 THR 36 1.335 -2.468 -6.460
268 HG23 THR 36 3HG2 THR 36 -0.335 -1.938 -6.517
269 H VAL 37 H VAL 37 -1.266 1.278 -5.315
270 HA VAL 37 HA VAL 37 -3.508 -0.468 -6.145
271 HB VAL 37 HB VAL 37 -2.534 0.625 -3.488
272 HG11 VAL 37 1HG1 VAL 37 -5.050 -1.007 -3.956
273 HG12 VAL 37 2HG1 VAL 37 -4.227 -0.810 -2.383
274 HG13 VAL 37 3HG1 VAL 37 -4.920 0.588 -3.181
275 HG21 VAL 37 1HG2 VAL 37 -1.288 -1.274 -4.383
276 HG22 VAL 37 2HG2 VAL 37 -2.273 -1.832 -3.041
277 HG23 VAL 37 3HG2 VAL 37 -2.805 -2.151 -4.710
278 H GLU 38 H GLU 38 -5.672 0.039 -5.970
279 HA GLU 38 HA GLU 38 -6.938 2.365 -6.714
280 HB2 GLU 38 2HB GLU 38 -7.675 0.340 -4.570
281 HB3 GLU 38 3HB GLU 38 -8.780 1.619 -5.055
282 HG2 GLU 38 2HG GLU 38 -8.941 0.770 -7.284
283 HG3 GLU 38 3HG GLU 38 -7.705 -0.436 -6.972
284 H SER 39 H SER 39 -7.954 4.081 -5.725
285 HA SER 39 HA SER 39 -7.135 4.801 -2.943
286 HB2 SER 39 2HB SER 39 -7.368 7.162 -3.487
287 HB3 SER 39 3HB SER 39 -6.141 6.383 -4.491
288 HG SER 39 HG SER 39 -8.302 7.736 -5.237
289 HA PRO 40 HA PRO 40 -7.944 6.537 -1.455
290 HB2 PRO 40 2HB PRO 40 -9.238 6.461 0.924
291 HB3 PRO 40 3HB PRO 40 -9.647 7.632 -0.364
292 HG2 PRO 40 2HG PRO 40 -11.014 4.993 0.242
293 HG3 PRO 40 3HG PRO 40 -11.769 6.595 -0.015
294 HD2 PRO 40 2HD PRO 40 -11.556 4.749 -2.026
295 HD3 PRO 40 3HD PRO 40 -11.411 6.505 -2.337
296 H ILE 41 H ILE 41 -6.452 5.759 0.052
297 HA ILE 41 HA ILE 41 -6.699 3.001 1.091
298 HB ILE 41 HB ILE 41 -5.461 3.093 -1.147
299 HG12 ILE 41 2HG1 ILE 41 -3.624 1.585 -0.545
300 HG13 ILE 41 3HG1 ILE 41 -3.878 1.904 1.164
301 HG21 ILE 41 1HG2 ILE 41 -4.195 5.201 -0.605
302 HG22 ILE 41 2HG2 ILE 41 -3.171 4.242 0.484
303 HG23 ILE 41 3HG2 ILE 41 -3.219 3.876 -1.245
304 HD11 ILE 41 1HD1 ILE 41 -6.109 0.855 1.044
305 HD12 ILE 41 2HD1 ILE 41 -5.949 0.682 -0.720
306 HD13 ILE 41 3HD1 ILE 41 -4.892 -0.234 0.362
307 H SER 42 H SER 42 -5.059 2.541 2.748
308 HA SER 42 HA SER 42 -4.740 4.800 4.612
309 HB2 SER 42 2HB SER 42 -5.559 2.415 5.164
310 HB3 SER 42 3HB SER 42 -3.874 1.928 5.005
311 HG SER 42 HG SER 42 -4.013 2.462 7.084
312 H GLU 43 H GLU 43 -2.646 5.224 5.720
313 HA GLU 43 HA GLU 43 -0.283 4.885 4.016
314 HB2 GLU 43 2HB GLU 43 0.897 6.129 5.596
315 HB3 GLU 43 3HB GLU 43 -0.619 6.958 5.293
316 HG2 GLU 43 2HG GLU 43 -1.490 6.387 7.435
317 HG3 GLU 43 3HG GLU 43 -0.236 5.176 7.701
318 H ASN 44 H ASN 44 -1.857 2.742 5.887
319 HA ASN 44 HA ASN 44 0.600 1.187 6.448
320 HB2 ASN 44 2HB ASN 44 -0.489 0.277 8.493
321 HB3 ASN 44 3HB ASN 44 -0.167 2.010 8.546
322 HD21 ASN 44 1HD2 ASN 44 -1.511 2.570 10.085
323 HD22 ASN 44 2HD2 ASN 44 -3.244 2.628 9.812
324 H GLY 45 H GLY 45 0.450 -1.083 6.327
325 HA2 GLY 45 2HA GLY 45 -1.326 -2.885 5.572
326 HA3 GLY 45 3HA GLY 45 -1.348 -1.923 4.121
327 H TRP 46 H TRP 46 0.808 -1.510 3.113
328 HA TRP 46 HA TRP 46 2.629 -2.284 2.010
329 HB2 TRP 46 2HB TRP 46 3.687 -3.302 4.026
330 HB3 TRP 46 3HB TRP 46 2.758 -4.747 3.729
331 HD1 TRP 46 HD1 TRP 46 5.342 -2.622 1.772
332 HE1 TRP 46 HE1 TRP 46 6.723 -4.208 0.294
333 HE3 TRP 46 HE3 TRP 46 2.867 -7.000 2.700
334 HZ2 TRP 46 HZ2 TRP 46 6.952 -7.053 -0.143
335 HZ3 TRP 46 HZ3 TRP 46 3.624 -9.114 1.646
336 HH2 TRP 46 HH2 TRP 46 5.674 -9.153 0.236
337 H CYS 47 H CYS 47 2.663 -3.310 0.072
338 HA CYS 47 HA CYS 47 0.908 -5.642 -0.408
339 HB2 CYS 47 2HB CYS 47 0.106 -4.702 -2.467
340 HB3 CYS 47 3HB CYS 47 0.002 -3.361 -1.312
341 H ARG 48 H ARG 48 1.607 -6.770 -2.451
342 HA ARG 48 HA ARG 48 4.511 -7.265 -2.261
343 HB2 ARG 48 2HB ARG 48 2.291 -8.636 -3.845
344 HB3 ARG 48 3HB ARG 48 3.988 -9.129 -3.830
345 HG2 ARG 48 2HG ARG 48 3.890 -9.534 -1.397
346 HG3 ARG 48 3HG ARG 48 2.200 -9.024 -1.357
347 HD2 ARG 48 2HD ARG 48 2.324 -11.467 -1.376
348 HD3 ARG 48 3HD ARG 48 1.556 -10.849 -2.838
349 HE ARG 48 HE ARG 48 3.276 -11.692 -4.133
350 HH11 ARG 48 1HH1 ARG 48 4.430 -11.933 -0.770
351 HH12 ARG 48 2HH1 ARG 48 5.941 -12.645 -1.342
352 HH21 ARG 48 1HH2 ARG 48 5.250 -12.708 -4.607
353 HH22 ARG 48 2HH2 ARG 48 6.322 -13.069 -3.260
354 H LEU 49 H LEU 49 2.419 -5.433 -4.328
355 HA LEU 49 HA LEU 49 4.521 -5.280 -6.443
356 HB2 LEU 49 2HB LEU 49 1.538 -4.886 -6.499
357 HB3 LEU 49 3HB LEU 49 2.545 -4.148 -7.726
358 HG LEU 49 HG LEU 49 1.574 -6.200 -8.512
359 HD11 LEU 49 1HD1 LEU 49 4.585 -6.555 -8.225
360 HD12 LEU 49 2HD1 LEU 49 3.534 -7.205 -9.491
361 HD13 LEU 49 3HD1 LEU 49 3.789 -5.460 -9.378
362 HD21 LEU 49 1HD2 LEU 49 1.526 -7.498 -6.372
363 HD22 LEU 49 2HD2 LEU 49 2.163 -8.394 -7.758
364 HD23 LEU 49 3HD2 LEU 49 3.279 -7.760 -6.542
365 H TYR 50 H TYR 50 4.415 -3.855 -3.774
366 HA TYR 50 HA TYR 50 4.627 -1.093 -4.215
367 HB2 TYR 50 2HB TYR 50 5.644 -1.016 -2.174
368 HB3 TYR 50 3HB TYR 50 4.630 -2.431 -2.040
369 HD1 TYR 50 HD1 TYR 50 5.999 -4.744 -2.828
370 HD2 TYR 50 HD2 TYR 50 7.758 -1.159 -1.217
371 HE1 TYR 50 HE1 TYR 50 8.005 -6.029 -2.152
372 HE2 TYR 50 HE2 TYR 50 9.730 -2.451 -0.475
373 HH TYR 50 HH TYR 50 10.684 -4.469 -0.326
374 H ALA 51 H ALA 51 7.026 -0.092 -3.631
375 HA ALA 51 HA ALA 51 8.189 0.169 -6.148
376 HB1 ALA 51 1HB ALA 51 9.519 0.795 -3.493
377 HB2 ALA 51 2HB ALA 51 9.858 1.545 -5.055
378 HB3 ALA 51 3HB ALA 51 8.296 1.828 -4.271
379 H GLY 52 H GLY 52 10.305 -0.226 -6.941
380 HA2 GLY 52 2HA GLY 52 11.033 -2.909 -6.903
381 HA3 GLY 52 3HA GLY 52 11.974 -1.582 -7.617
382 H LYS 53 H LYS 53 11.899 -0.916 -4.433
383 HA LYS 53 HA LYS 53 14.467 -1.226 -3.632
384 HB2 LYS 53 2HB LYS 53 11.914 -1.498 -2.011
385 HB3 LYS 53 3HB LYS 53 13.508 -1.450 -1.267
386 HG2 LYS 53 2HG LYS 53 12.376 0.747 -3.036
387 HG3 LYS 53 3HG LYS 53 12.355 0.754 -1.265
388 HD2 LYS 53 2HD LYS 53 14.914 0.581 -1.356
389 HD3 LYS 53 3HD LYS 53 14.753 0.829 -3.113
390 HE2 LYS 53 2HE LYS 53 13.531 2.960 -2.647
391 HE3 LYS 53 3HE LYS 53 13.893 2.781 -0.925
392 HZ1 LYS 53 1HZ LYS 53 16.142 3.242 -1.323
393 HZ2 LYS 53 2HZ LYS 53 16.106 2.686 -2.850
394 HZ3 LYS 53 3HZ LYS 53 15.458 4.149 -2.504
395 H ALA 54 H ALA 54 15.725 -2.666 -3.419
396 HA ALA 54 HA ALA 54 16.968 -4.504 -3.137
397 HB1 ALA 54 1HB ALA 54 16.322 -4.112 -0.857
398 HB2 ALA 54 2HB ALA 54 14.890 -5.122 -1.047
399 HB3 ALA 54 3HB ALA 54 16.501 -5.854 -1.137
Start of MODEL 6
1 H1 VAL 1 1H VAL 1 -4.772 11.725 -16.024
2 H2 VAL 1 2H VAL 1 -5.681 11.409 -14.691
3 H3 VAL 1 3H VAL 1 -6.313 11.151 -16.181
4 HA VAL 1 HA VAL 1 -4.809 9.408 -16.655
5 HB VAL 1 HB VAL 1 -3.548 8.418 -14.658
6 HG11 VAL 1 1HG1 VAL 1 -2.423 10.946 -15.896
7 HG12 VAL 1 2HG1 VAL 1 -1.538 9.559 -15.243
8 HG13 VAL 1 3HG1 VAL 1 -2.514 9.366 -16.698
9 HG21 VAL 1 1HG2 VAL 1 -3.576 11.300 -13.666
10 HG22 VAL 1 2HG2 VAL 1 -4.464 9.955 -12.910
11 HG23 VAL 1 3HG2 VAL 1 -2.699 9.927 -12.982
12 H THR 2 H THR 2 -5.253 7.300 -16.253
13 HA THR 2 HA THR 2 -7.885 6.761 -15.297
14 HB THR 2 HB THR 2 -6.714 5.735 -17.253
15 HG1 THR 2 HG1 THR 2 -7.652 3.739 -16.937
16 HG21 THR 2 1HG2 THR 2 -5.313 3.777 -16.962
17 HG22 THR 2 2HG2 THR 2 -4.540 5.150 -16.161
18 HG23 THR 2 3HG2 THR 2 -5.382 3.917 -15.197
19 H LYS 3 H LYS 3 -8.412 4.794 -13.968
20 HA LYS 3 HA LYS 3 -7.557 5.037 -11.217
21 HB2 LYS 3 2HB LYS 3 -9.813 4.398 -12.076
22 HB3 LYS 3 3HB LYS 3 -9.108 2.877 -12.650
23 HG2 LYS 3 2HG LYS 3 -8.368 2.465 -10.221
24 HG3 LYS 3 3HG LYS 3 -9.354 3.866 -9.761
25 HD2 LYS 3 2HD LYS 3 -10.347 1.484 -11.348
26 HD3 LYS 3 3HD LYS 3 -10.432 1.581 -9.574
27 HE2 LYS 3 2HE LYS 3 -11.815 3.662 -9.792
28 HE3 LYS 3 3HE LYS 3 -11.800 3.456 -11.550
29 HZ1 LYS 3 1HZ LYS 3 -12.845 1.257 -11.196
30 HZ2 LYS 3 2HZ LYS 3 -12.928 1.530 -9.601
31 HZ3 LYS 3 3HZ LYS 3 -13.801 2.477 -10.618
32 H LYS 4 H LYS 4 -6.154 3.785 -10.054
33 HA LYS 4 HA LYS 4 -4.087 2.253 -11.428
34 HB2 LYS 4 2HB LYS 4 -4.750 2.818 -8.522
35 HB3 LYS 4 3HB LYS 4 -3.425 1.740 -8.937
36 HG2 LYS 4 2HG LYS 4 -3.367 4.253 -10.447
37 HG3 LYS 4 3HG LYS 4 -3.297 4.502 -8.699
38 HD2 LYS 4 2HD LYS 4 -1.074 4.458 -9.721
39 HD3 LYS 4 3HD LYS 4 -1.273 3.131 -8.559
40 HE2 LYS 4 2HE LYS 4 -1.495 1.511 -10.250
41 HE3 LYS 4 3HE LYS 4 -1.940 2.705 -11.457
42 HZ1 LYS 4 1HZ LYS 4 0.307 1.892 -11.841
43 HZ2 LYS 4 2HZ LYS 4 0.332 3.503 -11.497
44 HZ3 LYS 4 3HZ LYS 4 0.783 2.437 -10.352
45 H ALA 5 H ALA 5 -3.382 0.185 -10.670
46 HA ALA 5 HA ALA 5 -5.231 -1.969 -11.030
47 HB1 ALA 5 1HB ALA 5 -3.378 -3.390 -10.219
48 HB2 ALA 5 2HB ALA 5 -2.783 -2.182 -11.371
49 HB3 ALA 5 3HB ALA 5 -2.523 -1.954 -9.621
50 H SER 6 H SER 6 -5.994 -3.588 -9.412
51 HA SER 6 HA SER 6 -7.040 -2.118 -7.145
52 HB2 SER 6 2HB SER 6 -8.426 -3.938 -6.639
53 HB3 SER 6 3HB SER 6 -8.431 -3.669 -8.383
54 HG SER 6 HG SER 6 -8.316 -5.823 -7.983
55 H HIS 7 H HIS 7 -6.827 -2.386 -5.033
56 HA HIS 7 HA HIS 7 -4.431 -3.050 -3.668
57 HB2 HIS 7 2HB HIS 7 -6.157 -3.216 -1.740
58 HB3 HIS 7 3HB HIS 7 -6.009 -1.688 -2.588
59 HD2 HIS 7 HD2 HIS 7 -8.156 -0.686 -3.630
60 HE1 HIS 7 HE1 HIS 7 -10.664 -4.114 -3.698
61 HE2 HIS 7 HE2 HIS 7 -10.548 -1.631 -4.200
62 H LYS 8 H LYS 8 -7.225 -4.974 -4.389
63 HA LYS 8 HA LYS 8 -6.560 -7.521 -3.325
64 HB2 LYS 8 2HB LYS 8 -8.765 -6.972 -4.004
65 HB3 LYS 8 3HB LYS 8 -8.285 -6.571 -5.633
66 HG2 LYS 8 2HG LYS 8 -8.095 -9.372 -4.494
67 HG3 LYS 8 3HG LYS 8 -9.525 -8.728 -5.321
68 HD2 LYS 8 2HD LYS 8 -7.499 -8.182 -7.124
69 HD3 LYS 8 3HD LYS 8 -6.981 -9.733 -6.436
70 HE2 LYS 8 2HE LYS 8 -9.262 -10.662 -6.984
71 HE3 LYS 8 3HE LYS 8 -9.659 -9.102 -7.738
72 HZ1 LYS 8 1HZ LYS 8 -7.756 -11.141 -8.666
73 HZ2 LYS 8 2HZ LYS 8 -8.873 -10.286 -9.530
74 HZ3 LYS 8 3HZ LYS 8 -7.490 -9.565 -9.067
75 H ASP 9 H ASP 9 -6.025 -6.391 -6.682
76 HA ASP 9 HA ASP 9 -4.611 -8.667 -7.568
77 HB2 ASP 9 2HB ASP 9 -4.948 -5.790 -8.460
78 HB3 ASP 9 3HB ASP 9 -3.716 -6.734 -9.208
79 H ALA 10 H ALA 10 -3.408 -5.801 -5.875
80 HA ALA 10 HA ALA 10 -0.622 -6.697 -6.026
81 HB1 ALA 10 1HB ALA 10 -1.934 -4.502 -4.404
82 HB2 ALA 10 2HB ALA 10 -0.194 -4.704 -4.688
83 HB3 ALA 10 3HB ALA 10 -1.262 -4.313 -6.046
84 H GLY 11 H GLY 11 -3.171 -7.885 -4.190
85 HA2 GLY 11 2HA GLY 11 -3.212 -9.341 -2.426
86 HA3 GLY 11 3HA GLY 11 -1.454 -9.445 -2.521
87 H TYR 12 H TYR 12 -3.421 -6.512 -1.763
88 HA TYR 12 HA TYR 12 -1.689 -5.943 0.413
89 HB2 TYR 12 2HB TYR 12 -2.485 -3.917 0.452
90 HB3 TYR 12 3HB TYR 12 -3.039 -4.341 -1.141
91 HD1 TYR 12 HD1 TYR 12 -5.608 -5.973 -0.052
92 HD2 TYR 12 HD2 TYR 12 -3.897 -2.091 0.694
93 HE1 TYR 12 HE1 TYR 12 -7.846 -5.106 0.597
94 HE2 TYR 12 HE2 TYR 12 -6.167 -1.188 1.211
95 HH TYR 12 HH TYR 12 -8.412 -1.643 1.277
96 H GLN 13 H GLN 13 -2.163 -5.373 2.573
97 HA GLN 13 HA GLN 13 -4.295 -6.927 3.949
98 HB2 GLN 13 2HB GLN 13 -2.566 -7.420 5.764
99 HB3 GLN 13 3HB GLN 13 -2.467 -8.369 4.292
100 HG2 GLN 13 2HG GLN 13 -0.581 -7.120 3.476
101 HG3 GLN 13 3HG GLN 13 -0.719 -5.953 4.800
102 HE21 GLN 13 1HE2 GLN 13 1.133 -6.161 5.812
103 HE22 GLN 13 2HE2 GLN 13 1.530 -7.603 6.678
104 H GLU 14 H GLU 14 -4.553 -6.196 6.269
105 HA GLU 14 HA GLU 14 -4.856 -3.300 6.289
106 HB2 GLU 14 2HB GLU 14 -6.070 -3.617 8.316
107 HB3 GLU 14 3HB GLU 14 -6.542 -4.851 7.146
108 HG2 GLU 14 2HG GLU 14 -5.070 -6.498 8.316
109 HG3 GLU 14 3HG GLU 14 -4.676 -5.262 9.512
110 H SER 15 H SER 15 -2.189 -5.096 6.958
111 HA SER 15 HA SER 15 -1.088 -3.180 8.941
112 HB2 SER 15 2HB SER 15 0.153 -5.318 9.791
113 HB3 SER 15 3HB SER 15 -1.516 -5.032 10.233
114 HG SER 15 HG SER 15 -1.555 -7.087 9.504
115 HA PRO 16 HA PRO 16 2.843 -3.322 6.688
116 HB2 PRO 16 2HB PRO 16 4.185 -3.632 9.302
117 HB3 PRO 16 3HB PRO 16 4.417 -2.364 8.103
118 HG2 PRO 16 2HG PRO 16 3.115 -1.872 10.462
119 HG3 PRO 16 3HG PRO 16 2.609 -1.094 8.926
120 HD2 PRO 16 2HD PRO 16 1.379 -3.523 10.279
121 HD3 PRO 16 3HD PRO 16 0.593 -2.111 9.528
122 H ASN 17 H ASN 17 4.666 -4.825 6.394
123 HA ASN 17 HA ASN 17 4.295 -7.585 7.542
124 HB2 ASN 17 2HB ASN 17 3.669 -7.771 5.266
125 HB3 ASN 17 3HB ASN 17 4.885 -6.648 4.738
126 HD21 ASN 17 1HD2 ASN 17 5.649 -8.187 3.185
127 HD22 ASN 17 2HD2 ASN 17 6.763 -9.450 3.716
128 H GLY 18 H GLY 18 5.844 -7.775 9.071
129 HA2 GLY 18 2HA GLY 18 7.965 -7.869 10.026
130 HA3 GLY 18 3HA GLY 18 8.637 -7.813 8.394
131 H ALA 19 H ALA 19 9.753 -6.024 7.855
132 HA ALA 19 HA ALA 19 9.558 -3.560 9.495
133 HB1 ALA 19 1HB ALA 19 11.485 -2.845 8.192
134 HB2 ALA 19 2HB ALA 19 11.759 -4.430 8.920
135 HB3 ALA 19 3HB ALA 19 11.383 -4.305 7.181
136 H LYS 20 H LYS 20 8.082 -4.742 6.510
137 HA LYS 20 HA LYS 20 8.410 -2.190 5.113
138 HB2 LYS 20 2HB LYS 20 7.105 -4.804 4.306
139 HB3 LYS 20 3HB LYS 20 7.523 -3.492 3.210
140 HG2 LYS 20 2HG LYS 20 9.739 -4.050 3.124
141 HG3 LYS 20 3HG LYS 20 9.841 -4.518 4.812
142 HD2 LYS 20 2HD LYS 20 8.696 -6.615 4.403
143 HD3 LYS 20 3HD LYS 20 8.362 -6.175 2.750
144 HE2 LYS 20 2HE LYS 20 10.224 -7.795 2.948
145 HE3 LYS 20 3HE LYS 20 10.703 -6.310 2.129
146 HZ1 LYS 20 1HZ LYS 20 12.267 -7.185 3.881
147 HZ2 LYS 20 2HZ LYS 20 11.878 -5.596 4.054
148 HZ3 LYS 20 3HZ LYS 20 11.179 -6.757 5.017
149 H ARG 21 H ARG 21 6.872 -0.773 4.476
150 HA ARG 21 HA ARG 21 4.051 -1.423 4.582
151 HB2 ARG 21 2HB ARG 21 3.283 -0.255 6.342
152 HB3 ARG 21 3HB ARG 21 4.888 -0.554 6.993
153 HG2 ARG 21 2HG ARG 21 5.622 1.701 6.211
154 HG3 ARG 21 3HG ARG 21 3.970 1.985 5.614
155 HD2 ARG 21 2HD ARG 21 3.165 1.493 7.996
156 HD3 ARG 21 3HD ARG 21 4.848 1.628 8.500
157 HE ARG 21 HE ARG 21 3.045 3.763 7.492
158 HH11 ARG 21 1HH1 ARG 21 6.365 3.075 8.616
159 HH12 ARG 21 2HH1 ARG 21 6.813 4.745 8.346
160 HH21 ARG 21 1HH2 ARG 21 3.737 5.877 7.636
161 HH22 ARG 21 2HH2 ARG 21 5.446 6.218 7.871
162 H CYS 22 H CYS 22 2.669 0.202 3.573
163 HA CYS 22 HA CYS 22 3.389 1.290 1.271
164 HB2 CYS 22 2HB CYS 22 1.410 2.312 3.356
165 HB3 CYS 22 3HB CYS 22 1.354 2.740 1.645
166 H GLY 23 H GLY 23 3.410 3.367 4.242
167 HA2 GLY 23 2HA GLY 23 4.395 5.717 3.157
168 HA3 GLY 23 3HA GLY 23 4.709 5.151 4.796
169 H THR 24 H THR 24 6.424 2.859 4.051
170 HA THR 24 HA THR 24 8.876 4.385 3.318
171 HB THR 24 HB THR 24 10.157 2.613 4.335
172 HG1 THR 24 HG1 THR 24 8.975 1.081 5.590
173 HG21 THR 24 1HG2 THR 24 7.906 3.424 6.216
174 HG22 THR 24 2HG2 THR 24 9.593 3.060 6.631
175 HG23 THR 24 3HG2 THR 24 9.214 4.519 5.713
176 H CYS 25 H CYS 25 6.826 1.887 2.080
177 HA CYS 25 HA CYS 25 8.340 0.792 -0.054
178 HB2 CYS 25 2HB CYS 25 6.171 -0.060 0.487
179 HB3 CYS 25 3HB CYS 25 5.434 1.517 0.403
180 H ARG 26 H ARG 26 7.568 4.086 0.402
181 HA ARG 26 HA ARG 26 7.905 5.983 -0.826
182 HB2 ARG 26 2HB ARG 26 8.898 4.452 -3.217
183 HB3 ARG 26 3HB ARG 26 9.237 6.106 -2.762
184 HG2 ARG 26 2HG ARG 26 10.251 3.605 -1.321
185 HG3 ARG 26 3HG ARG 26 11.142 4.523 -2.498
186 HD2 ARG 26 2HD ARG 26 10.090 5.800 0.065
187 HD3 ARG 26 3HD ARG 26 11.602 4.904 -0.024
188 HE ARG 26 HE ARG 26 12.540 6.484 -1.523
189 HH11 ARG 26 1HH1 ARG 26 9.490 7.722 -0.196
190 HH12 ARG 26 2HH1 ARG 26 9.754 9.281 -0.936
191 HH21 ARG 26 1HH2 ARG 26 12.885 8.539 -2.149
192 HH22 ARG 26 2HH2 ARG 26 11.660 9.764 -1.951
193 H GLN 27 H GLN 27 6.197 3.333 -2.363
194 HA GLN 27 HA GLN 27 4.911 4.992 -4.326
195 HB2 GLN 27 2HB GLN 27 4.310 2.159 -3.431
196 HB3 GLN 27 3HB GLN 27 3.651 2.928 -4.869
197 HG2 GLN 27 2HG GLN 27 5.929 3.250 -5.798
198 HG3 GLN 27 3HG GLN 27 6.642 2.505 -4.366
199 HE21 GLN 27 1HE2 GLN 27 5.343 0.257 -3.873
200 HE22 GLN 27 2HE2 GLN 27 5.347 -0.815 -5.286
201 H PHE 28 H PHE 28 4.075 4.547 -0.959
202 HA PHE 28 HA PHE 28 1.301 5.136 -1.214
203 HB2 PHE 28 2HB PHE 28 2.252 4.439 0.891
204 HB3 PHE 28 3HB PHE 28 3.222 5.906 1.005
205 HD1 PHE 28 HD1 PHE 28 -0.361 4.764 0.625
206 HD2 PHE 28 HD2 PHE 28 2.321 7.770 2.176
207 HE1 PHE 28 HE1 PHE 28 -2.280 5.972 1.628
208 HE2 PHE 28 HE2 PHE 28 0.391 8.958 3.191
209 HZ PHE 28 HZ PHE 28 -1.903 8.073 2.904
210 H ARG 29 H ARG 29 0.141 6.922 -1.393
211 HA ARG 29 HA ARG 29 1.490 9.491 -2.133
212 HB2 ARG 29 2HB ARG 29 0.972 8.017 -4.056
213 HB3 ARG 29 3HB ARG 29 -0.691 7.903 -3.537
214 HG2 ARG 29 2HG ARG 29 -0.657 9.425 -5.326
215 HG3 ARG 29 3HG ARG 29 -0.919 10.381 -3.860
216 HD2 ARG 29 2HD ARG 29 1.468 11.008 -3.833
217 HD3 ARG 29 3HD ARG 29 1.774 9.916 -5.182
218 HE ARG 29 HE ARG 29 -0.152 12.168 -5.574
219 HH11 ARG 29 1HH1 ARG 29 3.088 10.935 -6.369
220 HH12 ARG 29 2HH1 ARG 29 3.027 11.774 -7.926
221 HH21 ARG 29 1HH2 ARG 29 -0.068 13.010 -7.663
222 HH22 ARG 29 2HH2 ARG 29 1.456 12.916 -8.538
223 HA PRO 30 HA PRO 30 -1.467 10.447 1.224
224 HB2 PRO 30 2HB PRO 30 -0.194 13.152 0.752
225 HB3 PRO 30 3HB PRO 30 -0.647 12.383 2.304
226 HG2 PRO 30 2HG PRO 30 1.927 12.346 1.458
227 HG3 PRO 30 3HG PRO 30 1.203 10.877 2.181
228 HD2 PRO 30 2HD PRO 30 1.665 11.514 -0.733
229 HD3 PRO 30 3HD PRO 30 1.885 9.967 0.138
230 HA PRO 31 HA PRO 31 -3.061 11.716 2.369
231 HB2 PRO 31 2HB PRO 31 -5.766 11.785 2.651
232 HB3 PRO 31 3HB PRO 31 -4.778 13.252 2.414
233 HG2 PRO 31 2HG PRO 31 -6.337 11.680 0.336
234 HG3 PRO 31 3HG PRO 31 -6.341 13.450 0.613
235 HD2 PRO 31 2HD PRO 31 -4.780 12.258 -1.306
236 HD3 PRO 31 3HD PRO 31 -4.254 13.718 -0.422
237 H SER 32 H SER 32 -4.680 9.830 -0.193
238 HA SER 32 HA SER 32 -4.475 7.362 1.399
239 HB2 SER 32 2HB SER 32 -6.909 6.914 1.252
240 HB3 SER 32 3HB SER 32 -6.523 8.315 2.247
241 HG SER 32 HG SER 32 -8.221 8.804 0.958
242 H SER 33 H SER 33 -3.289 8.216 -1.132
243 HA SER 33 HA SER 33 -4.489 6.228 -3.031
244 HB2 SER 33 2HB SER 33 -2.823 8.707 -3.524
245 HB3 SER 33 3HB SER 33 -3.245 7.537 -4.764
246 HG SER 33 HG SER 33 -5.114 9.043 -3.226
247 H CYS 34 H CYS 34 -2.843 5.334 -4.536
248 HA CYS 34 HA CYS 34 -0.078 5.119 -3.479
249 HB2 CYS 34 2HB CYS 34 -1.203 3.237 -2.494
250 HB3 CYS 34 3HB CYS 34 -1.952 2.804 -4.030
251 H ILE 35 H ILE 35 1.439 4.457 -4.982
252 HA ILE 35 HA ILE 35 0.842 5.054 -7.832
253 HB ILE 35 HB ILE 35 3.476 4.667 -6.381
254 HG12 ILE 35 2HG1 ILE 35 2.409 6.730 -5.644
255 HG13 ILE 35 3HG1 ILE 35 3.801 7.072 -6.635
256 HG21 ILE 35 1HG2 ILE 35 2.943 5.466 -9.265
257 HG22 ILE 35 2HG2 ILE 35 4.499 5.701 -8.434
258 HG23 ILE 35 3HG2 ILE 35 3.866 4.075 -8.669
259 HD11 ILE 35 1HD1 ILE 35 2.284 7.600 -8.564
260 HD12 ILE 35 2HD1 ILE 35 0.882 7.279 -7.513
261 HD13 ILE 35 3HD1 ILE 35 1.983 8.612 -7.147
262 H THR 36 H THR 36 1.043 2.295 -5.797
263 HA THR 36 HA THR 36 1.183 0.496 -8.186
264 HB THR 36 HB THR 36 0.798 -0.239 -5.276
265 HG1 THR 36 HG1 THR 36 2.799 -0.214 -5.123
266 HG21 THR 36 1HG2 THR 36 1.351 -2.473 -5.950
267 HG22 THR 36 2HG2 THR 36 -0.008 -1.964 -6.946
268 HG23 THR 36 3HG2 THR 36 1.626 -1.982 -7.642
269 H VAL 37 H VAL 37 -1.023 1.340 -5.445
270 HA VAL 37 HA VAL 37 -3.159 -0.084 -6.932
271 HB VAL 37 HB VAL 37 -4.118 -0.785 -4.866
272 HG11 VAL 37 1HG1 VAL 37 -1.143 -1.369 -4.862
273 HG12 VAL 37 2HG1 VAL 37 -2.407 -2.318 -4.106
274 HG13 VAL 37 3HG1 VAL 37 -2.369 -2.178 -5.879
275 HG21 VAL 37 1HG2 VAL 37 -3.497 1.114 -3.393
276 HG22 VAL 37 2HG2 VAL 37 -3.084 -0.461 -2.703
277 HG23 VAL 37 3HG2 VAL 37 -1.810 0.536 -3.407
278 H GLU 38 H GLU 38 -5.336 0.311 -6.526
279 HA GLU 38 HA GLU 38 -6.517 2.805 -6.748
280 HB2 GLU 38 2HB GLU 38 -7.340 0.160 -5.546
281 HB3 GLU 38 3HB GLU 38 -8.394 1.522 -5.352
282 HG2 GLU 38 2HG GLU 38 -8.417 1.822 -7.852
283 HG3 GLU 38 3HG GLU 38 -7.445 0.355 -7.998
284 H SER 39 H SER 39 -7.738 4.088 -5.443
285 HA SER 39 HA SER 39 -6.992 4.405 -2.578
286 HB2 SER 39 2HB SER 39 -7.773 6.695 -2.788
287 HB3 SER 39 3HB SER 39 -6.604 6.357 -4.074
288 HG SER 39 HG SER 39 -8.657 7.467 -4.628
289 HA PRO 40 HA PRO 40 -8.072 5.695 -0.795
290 HB2 PRO 40 2HB PRO 40 -9.275 5.206 1.570
291 HB3 PRO 40 3HB PRO 40 -9.942 6.358 0.372
292 HG2 PRO 40 2HG PRO 40 -10.725 3.446 0.778
293 HG3 PRO 40 3HG PRO 40 -11.805 4.876 0.691
294 HD2 PRO 40 2HD PRO 40 -11.308 3.314 -1.486
295 HD3 PRO 40 3HD PRO 40 -11.499 5.083 -1.632
296 H ILE 41 H ILE 41 -6.341 5.066 0.395
297 HA ILE 41 HA ILE 41 -6.040 2.270 1.342
298 HB ILE 41 HB ILE 41 -5.053 3.032 -1.046
299 HG12 ILE 41 2HG1 ILE 41 -4.992 0.766 -0.319
300 HG13 ILE 41 3HG1 ILE 41 -3.462 1.266 -1.013
301 HG21 ILE 41 1HG2 ILE 41 -2.690 3.645 0.761
302 HG22 ILE 41 2HG2 ILE 41 -2.727 3.590 -1.003
303 HG23 ILE 41 3HG2 ILE 41 -3.641 4.834 -0.152
304 HD11 ILE 41 1HD1 ILE 41 -2.538 1.482 1.349
305 HD12 ILE 41 2HD1 ILE 41 -4.030 0.656 1.893
306 HD13 ILE 41 3HD1 ILE 41 -2.905 -0.133 0.779
307 H SER 42 H SER 42 -4.410 2.004 2.940
308 HA SER 42 HA SER 42 -4.066 4.341 4.729
309 HB2 SER 42 2HB SER 42 -4.921 2.200 5.633
310 HB3 SER 42 3HB SER 42 -3.401 1.414 5.178
311 HG SER 42 HG SER 42 -3.260 2.160 7.328
312 H GLU 43 H GLU 43 -2.086 5.122 5.352
313 HA GLU 43 HA GLU 43 0.279 4.707 3.754
314 HB2 GLU 43 2HB GLU 43 1.331 6.229 5.273
315 HB3 GLU 43 3HB GLU 43 -0.311 6.777 4.963
316 HG2 GLU 43 2HG GLU 43 -0.373 7.048 7.160
317 HG3 GLU 43 3HG GLU 43 -0.868 5.372 7.186
318 H ASN 44 H ASN 44 -1.050 2.710 6.050
319 HA ASN 44 HA ASN 44 1.474 1.145 6.319
320 HB2 ASN 44 2HB ASN 44 0.453 0.363 8.554
321 HB3 ASN 44 3HB ASN 44 0.986 2.035 8.464
322 HD21 ASN 44 1HD2 ASN 44 -0.306 3.595 8.906
323 HD22 ASN 44 2HD2 ASN 44 -2.028 3.371 9.201
324 H GLY 45 H GLY 45 -1.076 1.002 4.391
325 HA2 GLY 45 2HA GLY 45 -2.245 -1.608 5.064
326 HA3 GLY 45 3HA GLY 45 -2.688 -0.542 3.732
327 H TRP 46 H TRP 46 0.322 -2.254 4.644
328 HA TRP 46 HA TRP 46 1.557 -2.195 2.229
329 HB2 TRP 46 2HB TRP 46 2.563 -2.958 4.367
330 HB3 TRP 46 3HB TRP 46 1.661 -4.448 4.248
331 HD1 TRP 46 HD1 TRP 46 4.633 -2.698 2.550
332 HE1 TRP 46 HE1 TRP 46 6.043 -4.451 1.322
333 HE3 TRP 46 HE3 TRP 46 1.598 -6.758 3.117
334 HZ2 TRP 46 HZ2 TRP 46 5.972 -7.288 0.827
335 HZ3 TRP 46 HZ3 TRP 46 2.257 -8.974 2.196
336 HH2 TRP 46 HH2 TRP 46 4.437 -9.242 1.043
337 H CYS 47 H CYS 47 1.801 -3.281 0.356
338 HA CYS 47 HA CYS 47 0.280 -5.796 -0.103
339 HB2 CYS 47 2HB CYS 47 -0.514 -5.004 -2.175
340 HB3 CYS 47 3HB CYS 47 -0.616 -3.545 -1.168
341 H ARG 48 H ARG 48 1.069 -6.989 -2.051
342 HA ARG 48 HA ARG 48 3.848 -7.668 -1.465
343 HB2 ARG 48 2HB ARG 48 1.912 -8.872 -3.488
344 HB3 ARG 48 3HB ARG 48 3.430 -9.594 -2.945
345 HG2 ARG 48 2HG ARG 48 2.548 -9.809 -0.642
346 HG3 ARG 48 3HG ARG 48 1.061 -8.992 -1.117
347 HD2 ARG 48 2HD ARG 48 0.422 -11.194 -1.122
348 HD3 ARG 48 3HD ARG 48 0.705 -10.846 -2.829
349 HE ARG 48 HE ARG 48 3.015 -11.992 -1.409
350 HH11 ARG 48 1HH1 ARG 48 0.131 -12.836 -3.279
351 HH12 ARG 48 2HH1 ARG 48 0.669 -14.495 -3.449
352 HH21 ARG 48 1HH2 ARG 48 3.528 -14.204 -1.663
353 HH22 ARG 48 2HH2 ARG 48 2.597 -15.116 -2.835
354 H LEU 49 H LEU 49 2.494 -5.469 -3.639
355 HA LEU 49 HA LEU 49 4.746 -5.657 -5.593
356 HB2 LEU 49 2HB LEU 49 1.923 -4.647 -5.745
357 HB3 LEU 49 3HB LEU 49 3.144 -3.976 -6.821
358 HG LEU 49 HG LEU 49 3.636 -6.152 -7.773
359 HD11 LEU 49 1HD1 LEU 49 1.556 -7.223 -5.826
360 HD12 LEU 49 2HD1 LEU 49 2.070 -8.088 -7.287
361 HD13 LEU 49 3HD1 LEU 49 3.245 -7.745 -6.029
362 HD21 LEU 49 1HD2 LEU 49 1.842 -4.764 -8.736
363 HD22 LEU 49 2HD2 LEU 49 1.503 -6.487 -8.946
364 HD23 LEU 49 3HD2 LEU 49 0.648 -5.562 -7.691
365 H TYR 50 H TYR 50 4.207 -4.078 -2.777
366 HA TYR 50 HA TYR 50 5.178 -1.542 -2.947
367 HB2 TYR 50 2HB TYR 50 5.829 -1.835 -0.743
368 HB3 TYR 50 3HB TYR 50 4.589 -3.040 -0.947
369 HD1 TYR 50 HD1 TYR 50 5.610 -5.429 -1.848
370 HD2 TYR 50 HD2 TYR 50 7.712 -2.437 0.410
371 HE1 TYR 50 HE1 TYR 50 7.395 -7.080 -1.363
372 HE2 TYR 50 HE2 TYR 50 9.466 -4.106 0.958
373 HH TYR 50 HH TYR 50 9.472 -7.364 -0.508
374 H ALA 51 H ALA 51 7.418 -0.616 -2.583
375 HA ALA 51 HA ALA 51 9.385 -1.777 -4.423
376 HB1 ALA 51 1HB ALA 51 10.607 0.255 -4.134
377 HB2 ALA 51 2HB ALA 51 8.891 0.699 -4.211
378 HB3 ALA 51 3HB ALA 51 9.741 0.654 -2.645
379 H GLY 52 H GLY 52 11.663 -2.112 -3.875
380 HA2 GLY 52 2HA GLY 52 12.055 -4.100 -1.930
381 HA3 GLY 52 3HA GLY 52 13.297 -3.251 -2.860
382 H LYS 53 H LYS 53 11.614 -1.264 -0.866
383 HA LYS 53 HA LYS 53 13.860 -0.567 0.883
384 HB2 LYS 53 2HB LYS 53 11.133 0.644 0.234
385 HB3 LYS 53 3HB LYS 53 12.051 1.166 1.637
386 HG2 LYS 53 2HG LYS 53 12.380 2.692 -0.209
387 HG3 LYS 53 3HG LYS 53 13.890 1.918 0.289
388 HD2 LYS 53 2HD LYS 53 13.779 0.410 -1.680
389 HD3 LYS 53 3HD LYS 53 12.232 1.138 -2.143
390 HE2 LYS 53 2HE LYS 53 13.898 2.104 -3.527
391 HE3 LYS 53 3HE LYS 53 13.448 3.361 -2.366
392 HZ1 LYS 53 1HZ LYS 53 15.466 2.935 -1.156
393 HZ2 LYS 53 2HZ LYS 53 15.798 1.580 -2.013
394 HZ3 LYS 53 3HZ LYS 53 15.875 3.047 -2.756
395 H ALA 54 H ALA 54 13.843 -0.749 2.851
396 HA ALA 54 HA ALA 54 13.575 -1.315 5.045
397 HB1 ALA 54 1HB ALA 54 10.682 -2.024 4.519
398 HB2 ALA 54 2HB ALA 54 11.453 -1.697 6.075
399 HB3 ALA 54 3HB ALA 54 11.275 -0.389 4.889
Start of MODEL 7
1 H1 VAL 1 1H VAL 1 -3.045 8.155 -16.445
2 H2 VAL 1 2H VAL 1 -2.811 9.161 -17.714
3 H3 VAL 1 3H VAL 1 -2.760 7.549 -17.951
4 HA VAL 1 HA VAL 1 -5.109 9.173 -17.226
5 HB VAL 1 HB VAL 1 -4.743 7.418 -19.682
6 HG11 VAL 1 1HG1 VAL 1 -6.881 9.455 -18.913
7 HG12 VAL 1 2HG1 VAL 1 -6.763 8.605 -20.470
8 HG13 VAL 1 3HG1 VAL 1 -7.099 7.692 -19.001
9 HG21 VAL 1 1HG2 VAL 1 -4.659 9.567 -20.939
10 HG22 VAL 1 2HG2 VAL 1 -4.567 10.453 -19.410
11 HG23 VAL 1 3HG2 VAL 1 -3.252 9.351 -19.910
12 H THR 2 H THR 2 -4.215 5.741 -17.987
13 HA THR 2 HA THR 2 -6.719 4.712 -17.186
14 HB THR 2 HB THR 2 -4.057 3.265 -17.405
15 HG1 THR 2 HG1 THR 2 -4.247 3.478 -19.445
16 HG21 THR 2 1HG2 THR 2 -6.929 2.294 -17.764
17 HG22 THR 2 2HG2 THR 2 -5.492 1.400 -18.292
18 HG23 THR 2 3HG2 THR 2 -5.736 1.708 -16.574
19 H LYS 3 H LYS 3 -7.298 3.251 -15.469
20 HA LYS 3 HA LYS 3 -6.508 4.166 -12.835
21 HB2 LYS 3 2HB LYS 3 -8.826 3.491 -13.630
22 HB3 LYS 3 3HB LYS 3 -8.278 1.809 -13.551
23 HG2 LYS 3 2HG LYS 3 -7.817 2.108 -11.107
24 HG3 LYS 3 3HG LYS 3 -8.364 3.796 -11.229
25 HD2 LYS 3 2HD LYS 3 -10.602 2.949 -12.029
26 HD3 LYS 3 3HD LYS 3 -10.008 1.294 -11.789
27 HE2 LYS 3 2HE LYS 3 -9.566 1.884 -9.375
28 HE3 LYS 3 3HE LYS 3 -10.328 3.457 -9.656
29 HZ1 LYS 3 1HZ LYS 3 -11.655 0.841 -10.067
30 HZ2 LYS 3 2HZ LYS 3 -11.877 1.737 -8.732
31 HZ3 LYS 3 3HZ LYS 3 -12.374 2.309 -10.196
32 H LYS 4 H LYS 4 -5.480 3.081 -11.196
33 HA LYS 4 HA LYS 4 -3.292 1.352 -11.884
34 HB2 LYS 4 2HB LYS 4 -4.448 2.257 -9.222
35 HB3 LYS 4 3HB LYS 4 -2.975 1.285 -9.310
36 HG2 LYS 4 2HG LYS 4 -3.235 3.742 -10.921
37 HG3 LYS 4 3HG LYS 4 -2.797 3.880 -9.203
38 HD2 LYS 4 2HD LYS 4 -0.749 2.507 -9.738
39 HD3 LYS 4 3HD LYS 4 -1.259 2.493 -11.451
40 HE2 LYS 4 2HE LYS 4 -1.388 5.017 -11.341
41 HE3 LYS 4 3HE LYS 4 -0.699 4.949 -9.730
42 HZ1 LYS 4 1HZ LYS 4 0.967 5.410 -11.410
43 HZ2 LYS 4 2HZ LYS 4 1.304 4.008 -10.646
44 HZ3 LYS 4 3HZ LYS 4 0.698 4.003 -12.187
45 H ALA 5 H ALA 5 -2.762 -0.381 -10.437
46 HA ALA 5 HA ALA 5 -4.393 -2.787 -10.744
47 HB1 ALA 5 1HB ALA 5 -2.115 -2.205 -8.790
48 HB2 ALA 5 2HB ALA 5 -2.784 -3.805 -9.149
49 HB3 ALA 5 3HB ALA 5 -1.940 -2.904 -10.411
50 H SER 6 H SER 6 -5.974 -3.702 -9.353
51 HA SER 6 HA SER 6 -7.130 -2.089 -7.290
52 HB2 SER 6 2HB SER 6 -8.600 -3.900 -6.882
53 HB3 SER 6 3HB SER 6 -8.320 -3.846 -8.619
54 HG SER 6 HG SER 6 -8.126 -5.964 -7.924
55 H HIS 7 H HIS 7 -7.332 -2.639 -4.999
56 HA HIS 7 HA HIS 7 -4.809 -2.901 -3.663
57 HB2 HIS 7 2HB HIS 7 -7.318 -3.715 -2.257
58 HB3 HIS 7 3HB HIS 7 -5.975 -2.748 -1.681
59 HD2 HIS 7 HD2 HIS 7 -6.389 -0.330 -4.023
60 HE1 HIS 7 HE1 HIS 7 -10.103 0.163 -2.009
61 HE2 HIS 7 HE2 HIS 7 -8.452 1.231 -3.607
62 H LYS 8 H LYS 8 -7.177 -5.171 -4.567
63 HA LYS 8 HA LYS 8 -6.223 -7.627 -3.392
64 HB2 LYS 8 2HB LYS 8 -8.550 -7.183 -4.078
65 HB3 LYS 8 3HB LYS 8 -8.034 -7.122 -5.761
66 HG2 LYS 8 2HG LYS 8 -8.977 -9.214 -5.370
67 HG3 LYS 8 3HG LYS 8 -7.260 -9.509 -5.575
68 HD2 LYS 8 2HD LYS 8 -6.974 -9.754 -3.143
69 HD3 LYS 8 3HD LYS 8 -8.649 -9.262 -2.864
70 HE2 LYS 8 2HE LYS 8 -9.328 -11.299 -4.311
71 HE3 LYS 8 3HE LYS 8 -7.628 -11.779 -4.259
72 HZ1 LYS 8 1HZ LYS 8 -7.944 -11.600 -1.722
73 HZ2 LYS 8 2HZ LYS 8 -9.548 -11.634 -2.034
74 HZ3 LYS 8 3HZ LYS 8 -8.624 -12.906 -2.513
75 H ASP 9 H ASP 9 -6.053 -6.494 -6.780
76 HA ASP 9 HA ASP 9 -4.402 -8.447 -7.938
77 HB2 ASP 9 2HB ASP 9 -5.574 -6.510 -9.024
78 HB3 ASP 9 3HB ASP 9 -4.304 -5.466 -8.433
79 H ALA 10 H ALA 10 -3.441 -5.505 -6.224
80 HA ALA 10 HA ALA 10 -0.613 -5.972 -6.214
81 HB1 ALA 10 1HB ALA 10 -2.340 -4.208 -4.433
82 HB2 ALA 10 2HB ALA 10 -0.592 -4.055 -4.695
83 HB3 ALA 10 3HB ALA 10 -1.710 -3.765 -6.035
84 H GLY 11 H GLY 11 -3.100 -7.149 -4.030
85 HA2 GLY 11 2HA GLY 11 -2.889 -8.892 -2.503
86 HA3 GLY 11 3HA GLY 11 -1.130 -8.805 -2.598
87 H TYR 12 H TYR 12 -3.281 -6.078 -1.828
88 HA TYR 12 HA TYR 12 -1.793 -5.345 0.461
89 HB2 TYR 12 2HB TYR 12 -2.933 -3.458 0.475
90 HB3 TYR 12 3HB TYR 12 -3.417 -3.961 -1.125
91 HD1 TYR 12 HD1 TYR 12 -5.591 -5.826 -0.807
92 HD2 TYR 12 HD2 TYR 12 -4.611 -2.415 1.642
93 HE1 TYR 12 HE1 TYR 12 -7.956 -5.713 -0.025
94 HE2 TYR 12 HE2 TYR 12 -6.979 -2.343 2.467
95 HH TYR 12 HH TYR 12 -9.088 -3.427 2.444
96 H GLN 13 H GLN 13 -2.423 -4.931 2.597
97 HA GLN 13 HA GLN 13 -4.572 -6.559 3.831
98 HB2 GLN 13 2HB GLN 13 -2.883 -7.003 5.754
99 HB3 GLN 13 3HB GLN 13 -2.846 -8.012 4.332
100 HG2 GLN 13 2HG GLN 13 -0.883 -6.862 3.450
101 HG3 GLN 13 3HG GLN 13 -0.947 -5.687 4.777
102 HE21 GLN 13 1HE2 GLN 13 0.897 -5.986 5.788
103 HE22 GLN 13 2HE2 GLN 13 1.281 -7.502 6.556
104 H GLU 14 H GLU 14 -4.892 -5.897 6.162
105 HA GLU 14 HA GLU 14 -5.343 -3.050 6.304
106 HB2 GLU 14 2HB GLU 14 -6.479 -3.504 8.320
107 HB3 GLU 14 3HB GLU 14 -6.827 -4.831 7.209
108 HG2 GLU 14 2HG GLU 14 -5.026 -6.183 8.408
109 HG3 GLU 14 3HG GLU 14 -4.928 -4.881 9.595
110 H SER 15 H SER 15 -2.490 -4.680 6.929
111 HA SER 15 HA SER 15 -1.490 -2.600 8.801
112 HB2 SER 15 2HB SER 15 -0.405 -4.608 10.073
113 HB3 SER 15 3HB SER 15 -2.080 -4.183 10.357
114 HG SER 15 HG SER 15 -2.062 -6.297 10.124
115 HA PRO 16 HA PRO 16 2.515 -2.939 6.859
116 HB2 PRO 16 2HB PRO 16 3.660 -3.385 9.590
117 HB3 PRO 16 3HB PRO 16 4.169 -2.220 8.350
118 HG2 PRO 16 2HG PRO 16 2.740 -1.404 10.517
119 HG3 PRO 16 3HG PRO 16 2.382 -0.747 8.888
120 HD2 PRO 16 2HD PRO 16 0.926 -2.948 10.385
121 HD3 PRO 16 3HD PRO 16 0.260 -1.577 9.462
122 H ASN 17 H ASN 17 4.279 -4.459 6.514
123 HA ASN 17 HA ASN 17 3.832 -7.213 7.609
124 HB2 ASN 17 2HB ASN 17 3.222 -7.159 5.251
125 HB3 ASN 17 3HB ASN 17 4.713 -6.376 4.830
126 HD21 ASN 17 1HD2 ASN 17 4.758 -8.388 3.359
127 HD22 ASN 17 2HD2 ASN 17 5.379 -9.878 4.086
128 H GLY 18 H GLY 18 5.081 -6.220 9.405
129 HA2 GLY 18 2HA GLY 18 7.014 -6.279 10.645
130 HA3 GLY 18 3HA GLY 18 7.747 -7.209 9.345
131 H ALA 19 H ALA 19 9.237 -6.289 8.073
132 HA ALA 19 HA ALA 19 10.250 -3.646 8.706
133 HB1 ALA 19 1HB ALA 19 12.070 -4.373 7.165
134 HB2 ALA 19 2HB ALA 19 11.726 -5.579 8.405
135 HB3 ALA 19 3HB ALA 19 11.126 -5.813 6.749
136 H LYS 20 H LYS 20 7.848 -4.561 6.496
137 HA LYS 20 HA LYS 20 8.403 -2.206 4.733
138 HB2 LYS 20 2HB LYS 20 6.956 -4.764 3.949
139 HB3 LYS 20 3HB LYS 20 7.457 -3.439 2.920
140 HG2 LYS 20 2HG LYS 20 9.199 -4.774 2.415
141 HG3 LYS 20 3HG LYS 20 9.907 -4.192 3.916
142 HD2 LYS 20 2HD LYS 20 8.644 -6.185 4.988
143 HD3 LYS 20 3HD LYS 20 8.367 -6.764 3.349
144 HE2 LYS 20 2HE LYS 20 10.820 -6.767 2.919
145 HE3 LYS 20 3HE LYS 20 11.117 -6.238 4.582
146 HZ1 LYS 20 1HZ LYS 20 11.333 -8.658 4.351
147 HZ2 LYS 20 2HZ LYS 20 10.049 -8.310 5.339
148 HZ3 LYS 20 3HZ LYS 20 9.804 -8.759 3.764
149 H ARG 21 H ARG 21 6.831 -0.737 4.488
150 HA ARG 21 HA ARG 21 4.002 -1.489 4.590
151 HB2 ARG 21 2HB ARG 21 3.335 -0.394 6.429
152 HB3 ARG 21 3HB ARG 21 4.983 -0.651 6.965
153 HG2 ARG 21 2HG ARG 21 5.547 1.672 6.132
154 HG3 ARG 21 3HG ARG 21 3.811 1.885 5.782
155 HD2 ARG 21 2HD ARG 21 3.344 1.322 8.218
156 HD3 ARG 21 3HD ARG 21 5.091 1.330 8.482
157 HE ARG 21 HE ARG 21 3.728 3.743 7.334
158 HH11 ARG 21 1HH1 ARG 21 5.219 2.352 10.261
159 HH12 ARG 21 2HH1 ARG 21 5.406 3.959 10.929
160 HH21 ARG 21 1HH2 ARG 21 4.333 5.710 8.267
161 HH22 ARG 21 2HH2 ARG 21 5.314 5.668 9.732
162 H CYS 22 H CYS 22 2.581 0.356 3.716
163 HA CYS 22 HA CYS 22 3.443 1.448 1.384
164 HB2 CYS 22 2HB CYS 22 1.453 2.534 3.426
165 HB3 CYS 22 3HB CYS 22 1.489 2.969 1.704
166 H GLY 23 H GLY 23 3.435 3.285 4.467
167 HA2 GLY 23 2HA GLY 23 4.735 5.617 3.709
168 HA3 GLY 23 3HA GLY 23 4.766 4.837 5.287
169 H THR 24 H THR 24 6.331 2.475 3.839
170 HA THR 24 HA THR 24 9.006 3.776 3.559
171 HB THR 24 HB THR 24 9.943 1.561 4.267
172 HG1 THR 24 HG1 THR 24 8.310 0.465 5.685
173 HG21 THR 24 1HG2 THR 24 9.752 3.543 5.788
174 HG22 THR 24 2HG2 THR 24 8.181 2.925 6.346
175 HG23 THR 24 3HG2 THR 24 9.666 1.991 6.628
176 H CYS 25 H CYS 25 6.636 2.653 1.705
177 HA CYS 25 HA CYS 25 7.962 0.848 -0.132
178 HB2 CYS 25 2HB CYS 25 5.503 0.964 0.478
179 HB3 CYS 25 3HB CYS 25 5.392 2.477 -0.397
180 H ARG 26 H ARG 26 8.128 1.214 -2.400
181 HA ARG 26 HA ARG 26 9.539 3.482 -3.367
182 HB2 ARG 26 2HB ARG 26 8.388 1.004 -4.434
183 HB3 ARG 26 3HB ARG 26 8.178 2.313 -5.572
184 HG2 ARG 26 2HG ARG 26 10.875 1.655 -4.313
185 HG3 ARG 26 3HG ARG 26 10.276 0.936 -5.806
186 HD2 ARG 26 2HD ARG 26 11.585 2.635 -6.630
187 HD3 ARG 26 3HD ARG 26 9.972 3.311 -6.717
188 HE ARG 26 HE ARG 26 10.584 4.956 -5.188
189 HH11 ARG 26 1HH1 ARG 26 13.154 2.531 -5.128
190 HH12 ARG 26 2HH1 ARG 26 14.263 3.639 -4.366
191 HH21 ARG 26 1HH2 ARG 26 11.979 6.237 -4.279
192 HH22 ARG 26 2HH2 ARG 26 13.623 5.751 -3.883
193 H GLN 27 H GLN 27 6.144 3.055 -2.908
194 HA GLN 27 HA GLN 27 5.605 5.690 -4.199
195 HB2 GLN 27 2HB GLN 27 3.894 3.197 -4.351
196 HB3 GLN 27 3HB GLN 27 3.450 4.770 -4.989
197 HG2 GLN 27 2HG GLN 27 5.806 3.077 -5.977
198 HG3 GLN 27 3HG GLN 27 4.224 3.159 -6.711
199 HE21 GLN 27 1HE2 GLN 27 4.791 4.005 -8.750
200 HE22 GLN 27 2HE2 GLN 27 5.436 5.646 -8.866
201 H PHE 28 H PHE 28 2.882 4.138 -2.800
202 HA PHE 28 HA PHE 28 1.311 5.000 -1.520
203 HB2 PHE 28 2HB PHE 28 2.664 4.439 0.396
204 HB3 PHE 28 3HB PHE 28 3.496 5.989 0.310
205 HD1 PHE 28 HD1 PHE 28 0.033 4.538 0.619
206 HD2 PHE 28 HD2 PHE 28 2.651 7.866 1.466
207 HE1 PHE 28 HE1 PHE 28 -1.825 5.720 1.751
208 HE2 PHE 28 HE2 PHE 28 0.793 9.033 2.616
209 HZ PHE 28 HZ PHE 28 -1.459 7.979 2.719
210 H ARG 29 H ARG 29 -0.039 6.787 -1.203
211 HA ARG 29 HA ARG 29 0.945 9.409 -2.199
212 HB2 ARG 29 2HB ARG 29 0.024 8.077 -4.098
213 HB3 ARG 29 3HB ARG 29 -1.491 7.919 -3.239
214 HG2 ARG 29 2HG ARG 29 -1.790 9.646 -4.834
215 HG3 ARG 29 3HG ARG 29 -1.712 10.389 -3.238
216 HD2 ARG 29 2HD ARG 29 0.865 10.687 -3.832
217 HD3 ARG 29 3HD ARG 29 0.330 10.396 -5.480
218 HE ARG 29 HE ARG 29 -1.213 12.393 -5.168
219 HH11 ARG 29 1HH1 ARG 29 1.954 12.358 -3.557
220 HH12 ARG 29 2HH1 ARG 29 1.708 14.009 -3.003
221 HH21 ARG 29 1HH2 ARG 29 -1.251 14.541 -4.496
222 HH22 ARG 29 2HH2 ARG 29 0.107 15.151 -3.558
223 HA PRO 30 HA PRO 30 -1.547 10.580 1.400
224 HB2 PRO 30 2HB PRO 30 -0.701 13.303 0.398
225 HB3 PRO 30 3HB PRO 30 -0.766 12.693 2.081
226 HG2 PRO 30 2HG PRO 30 1.598 12.819 0.769
227 HG3 PRO 30 3HG PRO 30 1.194 11.374 1.755
228 HD2 PRO 30 2HD PRO 30 0.982 11.731 -1.244
229 HD3 PRO 30 3HD PRO 30 1.653 10.355 -0.312
230 HA PRO 31 HA PRO 31 -3.049 11.846 2.616
231 HB2 PRO 31 2HB PRO 31 -5.645 11.742 3.382
232 HB3 PRO 31 3HB PRO 31 -4.853 13.233 2.792
233 HG2 PRO 31 2HG PRO 31 -6.622 11.347 1.230
234 HG3 PRO 31 3HG PRO 31 -6.699 13.133 1.309
235 HD2 PRO 31 2HD PRO 31 -5.400 11.810 -0.726
236 HD3 PRO 31 3HD PRO 31 -4.856 13.391 -0.106
237 H SER 32 H SER 32 -5.263 9.599 0.821
238 HA SER 32 HA SER 32 -3.918 7.322 2.102
239 HB2 SER 32 2HB SER 32 -5.988 6.263 2.895
240 HB3 SER 32 3HB SER 32 -5.633 7.765 3.753
241 HG SER 32 HG SER 32 -7.326 7.662 1.492
242 H SER 33 H SER 33 -3.277 7.520 -0.208
243 HA SER 33 HA SER 33 -4.862 5.651 -1.888
244 HB2 SER 33 2HB SER 33 -3.712 8.338 -2.763
245 HB3 SER 33 3HB SER 33 -4.318 7.090 -3.866
246 HG SER 33 HG SER 33 -5.942 8.515 -3.543
247 H CYS 34 H CYS 34 -3.293 5.116 -3.918
248 HA CYS 34 HA CYS 34 -0.441 5.204 -3.057
249 HB2 CYS 34 2HB CYS 34 -1.441 2.947 -2.597
250 HB3 CYS 34 3HB CYS 34 -1.732 2.787 -4.328
251 H ILE 35 H ILE 35 0.946 4.510 -4.901
252 HA ILE 35 HA ILE 35 0.063 5.684 -7.496
253 HB ILE 35 HB ILE 35 2.966 5.798 -6.911
254 HG12 ILE 35 2HG1 ILE 35 1.269 8.123 -5.987
255 HG13 ILE 35 3HG1 ILE 35 1.850 6.891 -4.854
256 HG21 ILE 35 1HG2 ILE 35 2.026 6.387 -9.136
257 HG22 ILE 35 2HG2 ILE 35 1.067 7.675 -8.381
258 HG23 ILE 35 3HG2 ILE 35 2.837 7.754 -8.399
259 HD11 ILE 35 1HD1 ILE 35 3.699 8.590 -6.540
260 HD12 ILE 35 2HD1 ILE 35 3.306 8.808 -4.826
261 HD13 ILE 35 3HD1 ILE 35 4.146 7.350 -5.346
262 H THR 36 H THR 36 1.142 2.874 -5.860
263 HA THR 36 HA THR 36 1.521 1.571 -8.529
264 HB THR 36 HB THR 36 1.806 -0.398 -6.519
265 HG1 THR 36 HG1 THR 36 2.514 0.730 -4.911
266 HG21 THR 36 1HG2 THR 36 3.917 1.075 -8.145
267 HG22 THR 36 2HG2 THR 36 4.107 -0.508 -7.360
268 HG23 THR 36 3HG2 THR 36 2.961 -0.321 -8.697
269 H VAL 37 H VAL 37 -0.819 2.165 -6.122
270 HA VAL 37 HA VAL 37 -2.552 -0.079 -7.056
271 HB VAL 37 HB VAL 37 -2.281 0.750 -4.147
272 HG11 VAL 37 1HG1 VAL 37 -3.333 -1.768 -5.478
273 HG12 VAL 37 2HG1 VAL 37 -3.136 -1.514 -3.726
274 HG13 VAL 37 3HG1 VAL 37 -4.286 -0.530 -4.616
275 HG21 VAL 37 1HG2 VAL 37 -0.060 -0.050 -4.720
276 HG22 VAL 37 2HG2 VAL 37 -0.884 -1.288 -3.804
277 HG23 VAL 37 3HG2 VAL 37 -0.746 -1.462 -5.564
278 H GLU 38 H GLU 38 -4.784 0.172 -6.726
279 HA GLU 38 HA GLU 38 -6.163 2.606 -7.084
280 HB2 GLU 38 2HB GLU 38 -6.861 -0.183 -6.157
281 HB3 GLU 38 3HB GLU 38 -8.054 1.091 -5.965
282 HG2 GLU 38 2HG GLU 38 -7.804 1.639 -8.365
283 HG3 GLU 38 3HG GLU 38 -6.769 0.237 -8.581
284 H SER 39 H SER 39 -7.978 3.354 -5.514
285 HA SER 39 HA SER 39 -6.907 3.743 -2.760
286 HB2 SER 39 2HB SER 39 -7.683 6.051 -2.804
287 HB3 SER 39 3HB SER 39 -6.537 5.759 -4.118
288 HG SER 39 HG SER 39 -8.953 6.753 -4.282
289 HA PRO 40 HA PRO 40 -7.889 5.079 -0.933
290 HB2 PRO 40 2HB PRO 40 -8.828 4.417 1.520
291 HB3 PRO 40 3HB PRO 40 -9.665 5.578 0.442
292 HG2 PRO 40 2HG PRO 40 -10.261 2.621 0.818
293 HG3 PRO 40 3HG PRO 40 -11.414 3.995 0.848
294 HD2 PRO 40 2HD PRO 40 -10.998 2.480 -1.396
295 HD3 PRO 40 3HD PRO 40 -11.337 4.233 -1.494
296 H ILE 41 H ILE 41 -6.046 4.585 0.141
297 HA ILE 41 HA ILE 41 -5.427 1.822 1.021
298 HB ILE 41 HB ILE 41 -3.980 3.424 -1.057
299 HG12 ILE 41 2HG1 ILE 41 -5.241 1.420 -1.685
300 HG13 ILE 41 3HG1 ILE 41 -3.541 1.316 -2.091
301 HG21 ILE 41 1HG2 ILE 41 -2.425 1.750 0.940
302 HG22 ILE 41 2HG2 ILE 41 -1.821 2.250 -0.625
303 HG23 ILE 41 3HG2 ILE 41 -2.228 3.475 0.568
304 HD11 ILE 41 1HD1 ILE 41 -3.176 -0.213 -0.152
305 HD12 ILE 41 2HD1 ILE 41 -4.915 -0.126 0.221
306 HD13 ILE 41 3HD1 ILE 41 -4.364 -0.830 -1.305
307 H SER 42 H SER 42 -4.435 1.774 2.958
308 HA SER 42 HA SER 42 -4.163 4.336 4.419
309 HB2 SER 42 2HB SER 42 -5.253 2.225 5.327
310 HB3 SER 42 3HB SER 42 -3.629 1.544 5.480
311 HG SER 42 HG SER 42 -3.551 2.625 7.272
312 H GLU 43 H GLU 43 -2.240 5.029 5.390
313 HA GLU 43 HA GLU 43 0.143 4.562 3.846
314 HB2 GLU 43 2HB GLU 43 1.178 6.226 5.250
315 HB3 GLU 43 3HB GLU 43 -0.419 6.747 4.735
316 HG2 GLU 43 2HG GLU 43 -1.382 6.241 6.907
317 HG3 GLU 43 3HG GLU 43 0.174 5.625 7.465
318 H ASN 44 H ASN 44 -1.065 2.665 6.239
319 HA ASN 44 HA ASN 44 1.591 1.480 6.874
320 HB2 ASN 44 2HB ASN 44 0.520 0.597 8.908
321 HB3 ASN 44 3HB ASN 44 0.459 2.349 8.864
322 HD21 ASN 44 1HD2 ASN 44 -1.008 1.522 10.644
323 HD22 ASN 44 2HD2 ASN 44 -2.663 1.867 10.151
324 H GLY 45 H GLY 45 -1.350 0.859 5.120
325 HA2 GLY 45 2HA GLY 45 -1.390 -2.012 5.710
326 HA3 GLY 45 3HA GLY 45 -2.552 -1.132 4.757
327 H TRP 46 H TRP 46 0.722 -2.350 4.811
328 HA TRP 46 HA TRP 46 1.733 -2.145 2.296
329 HB2 TRP 46 2HB TRP 46 2.750 -3.184 4.368
330 HB3 TRP 46 3HB TRP 46 1.776 -4.596 4.065
331 HD1 TRP 46 HD1 TRP 46 4.706 -2.669 2.525
332 HE1 TRP 46 HE1 TRP 46 6.194 -4.266 1.210
333 HE3 TRP 46 HE3 TRP 46 1.782 -6.883 2.700
334 HZ2 TRP 46 HZ2 TRP 46 6.272 -7.062 0.547
335 HZ3 TRP 46 HZ3 TRP 46 2.583 -8.990 1.619
336 HH2 TRP 46 HH2 TRP 46 4.833 -9.103 0.602
337 H CYS 47 H CYS 47 1.764 -3.209 0.348
338 HA CYS 47 HA CYS 47 0.194 -5.703 0.007
339 HB2 CYS 47 2HB CYS 47 -0.649 -4.959 -2.105
340 HB3 CYS 47 3HB CYS 47 -0.837 -3.531 -1.059
341 H ARG 48 H ARG 48 1.023 -7.081 -1.761
342 HA ARG 48 HA ARG 48 3.904 -7.254 -1.414
343 HB2 ARG 48 2HB ARG 48 2.415 -9.181 -1.274
344 HB3 ARG 48 3HB ARG 48 2.041 -9.080 -2.993
345 HG2 ARG 48 2HG ARG 48 4.881 -9.255 -2.030
346 HG3 ARG 48 3HG ARG 48 3.897 -10.705 -1.966
347 HD2 ARG 48 2HD ARG 48 3.562 -10.829 -4.287
348 HD3 ARG 48 3HD ARG 48 4.105 -9.197 -4.586
349 HE ARG 48 HE ARG 48 5.807 -11.568 -3.952
350 HH11 ARG 48 1HH1 ARG 48 5.772 -8.207 -4.981
351 HH12 ARG 48 2HH1 ARG 48 7.230 -8.424 -5.934
352 HH21 ARG 48 1HH2 ARG 48 7.880 -11.575 -4.717
353 HH22 ARG 48 2HH2 ARG 48 8.577 -10.128 -5.404
354 H LEU 49 H LEU 49 2.065 -5.606 -3.707
355 HA LEU 49 HA LEU 49 3.997 -5.642 -5.878
356 HB2 LEU 49 2HB LEU 49 1.567 -5.193 -6.129
357 HB3 LEU 49 3HB LEU 49 1.757 -3.696 -5.214
358 HG LEU 49 HG LEU 49 3.124 -2.725 -6.991
359 HD11 LEU 49 1HD1 LEU 49 3.380 -3.899 -9.178
360 HD12 LEU 49 2HD1 LEU 49 4.289 -4.688 -7.892
361 HD13 LEU 49 3HD1 LEU 49 2.744 -5.387 -8.441
362 HD21 LEU 49 1HD2 LEU 49 0.661 -2.563 -7.121
363 HD22 LEU 49 2HD2 LEU 49 1.404 -2.581 -8.726
364 HD23 LEU 49 3HD2 LEU 49 0.612 -4.044 -8.099
365 H TYR 50 H TYR 50 3.955 -4.108 -2.791
366 HA TYR 50 HA TYR 50 5.518 -1.890 -2.832
367 HB2 TYR 50 2HB TYR 50 4.805 -3.038 -0.839
368 HB3 TYR 50 3HB TYR 50 5.770 -4.454 -1.224
369 HD1 TYR 50 HD1 TYR 50 8.304 -4.361 -1.004
370 HD2 TYR 50 HD2 TYR 50 5.680 -1.256 0.426
371 HE1 TYR 50 HE1 TYR 50 10.120 -3.504 0.461
372 HE2 TYR 50 HE2 TYR 50 7.497 -0.450 1.958
373 HH TYR 50 HH TYR 50 10.704 -2.004 2.096
374 H ALA 51 H ALA 51 7.618 -1.305 -3.036
375 HA ALA 51 HA ALA 51 9.737 -3.322 -3.230
376 HB1 ALA 51 1HB ALA 51 10.882 -2.003 -5.052
377 HB2 ALA 51 2HB ALA 51 9.414 -2.854 -5.582
378 HB3 ALA 51 3HB ALA 51 9.367 -1.109 -5.288
379 H GLY 52 H GLY 52 11.413 -2.764 -1.909
380 HA2 GLY 52 2HA GLY 52 11.108 -0.547 -0.162
381 HA3 GLY 52 3HA GLY 52 12.435 -1.702 -0.173
382 H LYS 53 H LYS 53 12.858 0.885 0.507
383 HA LYS 53 HA LYS 53 14.214 2.305 -1.727
384 HB2 LYS 53 2HB LYS 53 13.309 2.927 1.059
385 HB3 LYS 53 3HB LYS 53 14.820 3.677 0.555
386 HG2 LYS 53 2HG LYS 53 13.063 5.204 0.150
387 HG3 LYS 53 3HG LYS 53 13.690 4.660 -1.408
388 HD2 LYS 53 2HD LYS 53 11.767 3.184 -1.718
389 HD3 LYS 53 3HD LYS 53 11.142 3.561 -0.103
390 HE2 LYS 53 2HE LYS 53 11.717 5.830 -2.021
391 HE3 LYS 53 3HE LYS 53 10.294 4.835 -2.318
392 HZ1 LYS 53 1HZ LYS 53 10.779 6.352 0.168
393 HZ2 LYS 53 2HZ LYS 53 9.694 6.697 -1.024
394 HZ3 LYS 53 3HZ LYS 53 9.486 5.362 -0.127
395 H ALA 54 H ALA 54 15.972 1.390 -2.355
396 HA ALA 54 HA ALA 54 17.913 0.203 -2.498
397 HB1 ALA 54 1HB ALA 54 19.778 1.460 -1.564
398 HB2 ALA 54 2HB ALA 54 18.524 2.555 -2.173
399 HB3 ALA 54 3HB ALA 54 18.695 2.274 -0.428
Start of MODEL 8
1 H1 VAL 1 1H VAL 1 -6.391 11.506 -16.155
2 H2 VAL 1 2H VAL 1 -7.619 10.424 -16.278
3 H3 VAL 1 3H VAL 1 -6.219 10.172 -17.099
4 HA VAL 1 HA VAL 1 -5.002 9.829 -15.102
5 HB VAL 1 HB VAL 1 -6.322 9.542 -12.954
6 HG11 VAL 1 1HG1 VAL 1 -6.036 11.883 -12.354
7 HG12 VAL 1 2HG1 VAL 1 -4.666 11.307 -13.321
8 HG13 VAL 1 3HG1 VAL 1 -5.903 12.346 -14.055
9 HG21 VAL 1 1HG2 VAL 1 -8.652 9.805 -13.860
10 HG22 VAL 1 2HG2 VAL 1 -8.262 10.944 -12.571
11 HG23 VAL 1 3HG2 VAL 1 -8.277 11.499 -14.251
12 H THR 2 H THR 2 -4.484 7.782 -15.092
13 HA THR 2 HA THR 2 -6.455 5.812 -16.096
14 HB THR 2 HB THR 2 -3.498 5.445 -15.490
15 HG1 THR 2 HG1 THR 2 -3.334 5.597 -17.766
16 HG21 THR 2 1HG2 THR 2 -4.805 3.313 -15.604
17 HG22 THR 2 2HG2 THR 2 -5.429 3.802 -17.192
18 HG23 THR 2 3HG2 THR 2 -3.698 3.476 -16.959
19 H LYS 3 H LYS 3 -7.425 4.298 -14.854
20 HA LYS 3 HA LYS 3 -7.343 4.435 -11.982
21 HB2 LYS 3 2HB LYS 3 -9.218 3.609 -13.627
22 HB3 LYS 3 3HB LYS 3 -8.362 2.080 -13.609
23 HG2 LYS 3 2HG LYS 3 -10.072 1.857 -12.002
24 HG3 LYS 3 3HG LYS 3 -8.626 2.130 -11.030
25 HD2 LYS 3 2HD LYS 3 -9.264 4.516 -10.747
26 HD3 LYS 3 3HD LYS 3 -10.635 4.287 -11.842
27 HE2 LYS 3 2HE LYS 3 -11.610 2.622 -10.267
28 HE3 LYS 3 3HE LYS 3 -10.248 2.890 -9.160
29 HZ1 LYS 3 1HZ LYS 3 -10.924 5.190 -8.961
30 HZ2 LYS 3 2HZ LYS 3 -12.215 4.968 -9.987
31 HZ3 LYS 3 3HZ LYS 3 -12.170 4.242 -8.528
32 H LYS 4 H LYS 4 -6.418 3.090 -10.451
33 HA LYS 4 HA LYS 4 -4.035 1.559 -11.343
34 HB2 LYS 4 2HB LYS 4 -4.941 2.594 -8.641
35 HB3 LYS 4 3HB LYS 4 -3.584 1.486 -8.797
36 HG2 LYS 4 2HG LYS 4 -3.494 3.750 -10.675
37 HG3 LYS 4 3HG LYS 4 -3.431 4.248 -8.980
38 HD2 LYS 4 2HD LYS 4 -1.215 4.028 -10.051
39 HD3 LYS 4 3HD LYS 4 -1.396 2.966 -8.643
40 HE2 LYS 4 2HE LYS 4 -1.638 1.033 -9.977
41 HE3 LYS 4 3HE LYS 4 -2.017 1.949 -11.425
42 HZ1 LYS 4 1HZ LYS 4 0.230 2.563 -11.696
43 HZ2 LYS 4 2HZ LYS 4 0.638 2.123 -10.181
44 HZ3 LYS 4 3HZ LYS 4 0.282 0.956 -11.263
45 H ALA 5 H ALA 5 -3.488 -0.309 -10.160
46 HA ALA 5 HA ALA 5 -5.432 -2.454 -10.483
47 HB1 ALA 5 1HB ALA 5 -2.702 -2.409 -9.123
48 HB2 ALA 5 2HB ALA 5 -3.647 -3.867 -9.489
49 HB3 ALA 5 3HB ALA 5 -3.034 -2.863 -10.813
50 H SER 6 H SER 6 -6.447 -3.714 -8.802
51 HA SER 6 HA SER 6 -7.168 -2.120 -6.476
52 HB2 SER 6 2HB SER 6 -8.535 -3.901 -5.752
53 HB3 SER 6 3HB SER 6 -8.729 -3.767 -7.508
54 HG SER 6 HG SER 6 -8.116 -5.758 -7.604
55 H HIS 7 H HIS 7 -6.744 -2.557 -4.337
56 HA HIS 7 HA HIS 7 -4.100 -3.248 -3.485
57 HB2 HIS 7 2HB HIS 7 -5.458 -3.360 -1.232
58 HB3 HIS 7 3HB HIS 7 -5.263 -1.850 -2.058
59 HD2 HIS 7 HD2 HIS 7 -7.346 -0.529 -2.818
60 HE1 HIS 7 HE1 HIS 7 -10.305 -3.560 -2.380
61 HE2 HIS 7 HE2 HIS 7 -9.896 -1.109 -2.978
62 H LYS 8 H LYS 8 -7.030 -5.154 -3.776
63 HA LYS 8 HA LYS 8 -6.149 -7.664 -2.722
64 HB2 LYS 8 2HB LYS 8 -8.025 -7.251 -5.098
65 HB3 LYS 8 3HB LYS 8 -7.901 -8.668 -4.080
66 HG2 LYS 8 2HG LYS 8 -8.975 -5.940 -3.276
67 HG3 LYS 8 3HG LYS 8 -9.859 -7.415 -3.622
68 HD2 LYS 8 2HD LYS 8 -8.471 -8.474 -1.669
69 HD3 LYS 8 3HD LYS 8 -8.035 -6.819 -1.258
70 HE2 LYS 8 2HE LYS 8 -10.410 -6.208 -0.994
71 HE3 LYS 8 3HE LYS 8 -10.906 -7.827 -1.516
72 HZ1 LYS 8 1HZ LYS 8 -10.954 -7.665 0.903
73 HZ2 LYS 8 2HZ LYS 8 -9.751 -8.718 0.464
74 HZ3 LYS 8 3HZ LYS 8 -9.398 -7.214 0.971
75 H ASP 9 H ASP 9 -6.221 -6.661 -6.127
76 HA ASP 9 HA ASP 9 -4.763 -8.781 -7.311
77 HB2 ASP 9 2HB ASP 9 -6.058 -6.793 -8.341
78 HB3 ASP 9 3HB ASP 9 -4.564 -5.898 -8.187
79 H ALA 10 H ALA 10 -3.542 -5.735 -5.935
80 HA ALA 10 HA ALA 10 -0.738 -6.316 -6.247
81 HB1 ALA 10 1HB ALA 10 -2.222 -4.368 -4.445
82 HB2 ALA 10 2HB ALA 10 -0.493 -4.305 -4.811
83 HB3 ALA 10 3HB ALA 10 -1.676 -4.047 -6.109
84 H GLY 11 H GLY 11 -2.893 -7.872 -4.193
85 HA2 GLY 11 2HA GLY 11 -2.505 -9.471 -2.632
86 HA3 GLY 11 3HA GLY 11 -0.765 -9.241 -2.822
87 H TYR 12 H TYR 12 -3.045 -6.692 -1.768
88 HA TYR 12 HA TYR 12 -1.379 -6.192 0.475
89 HB2 TYR 12 2HB TYR 12 -2.269 -4.196 0.561
90 HB3 TYR 12 3HB TYR 12 -2.992 -4.575 -0.968
91 HD1 TYR 12 HD1 TYR 12 -5.369 -6.168 -0.414
92 HD2 TYR 12 HD2 TYR 12 -3.638 -3.016 1.964
93 HE1 TYR 12 HE1 TYR 12 -7.609 -5.639 0.555
94 HE2 TYR 12 HE2 TYR 12 -5.863 -2.500 2.918
95 HH TYR 12 HH TYR 12 -8.818 -4.244 1.848
96 H GLN 13 H GLN 13 -1.958 -5.762 2.600
97 HA GLN 13 HA GLN 13 -4.050 -7.473 3.815
98 HB2 GLN 13 2HB GLN 13 -2.323 -7.914 5.697
99 HB3 GLN 13 3HB GLN 13 -2.253 -8.872 4.240
100 HG2 GLN 13 2HG GLN 13 -0.359 -7.540 3.375
101 HG3 GLN 13 3HG GLN 13 -0.452 -6.486 4.794
102 HE21 GLN 13 1HE2 GLN 13 1.257 -6.782 5.954
103 HE22 GLN 13 2HE2 GLN 13 1.798 -8.355 6.495
104 H GLU 14 H GLU 14 -4.577 -6.848 5.983
105 HA GLU 14 HA GLU 14 -5.045 -4.065 6.212
106 HB2 GLU 14 2HB GLU 14 -6.088 -4.627 8.326
107 HB3 GLU 14 3HB GLU 14 -6.427 -5.893 7.155
108 HG2 GLU 14 2HG GLU 14 -4.511 -7.235 8.147
109 HG3 GLU 14 3HG GLU 14 -4.417 -6.027 9.427
110 H SER 15 H SER 15 -2.084 -5.552 6.908
111 HA SER 15 HA SER 15 -1.246 -3.261 8.568
112 HB2 SER 15 2HB SER 15 -0.191 -4.952 10.231
113 HB3 SER 15 3HB SER 15 -1.902 -4.605 10.336
114 HG SER 15 HG SER 15 -0.538 -6.903 9.516
115 HA PRO 16 HA PRO 16 2.754 -3.553 6.751
116 HB2 PRO 16 2HB PRO 16 3.985 -3.628 9.473
117 HB3 PRO 16 3HB PRO 16 4.330 -2.521 8.135
118 HG2 PRO 16 2HG PRO 16 2.844 -1.769 10.309
119 HG3 PRO 16 3HG PRO 16 2.449 -1.170 8.666
120 HD2 PRO 16 2HD PRO 16 1.098 -3.325 10.270
121 HD3 PRO 16 3HD PRO 16 0.412 -2.117 9.153
122 H ASN 17 H ASN 17 4.346 -5.043 6.196
123 HA ASN 17 HA ASN 17 4.313 -7.741 7.514
124 HB2 ASN 17 2HB ASN 17 3.720 -7.881 5.187
125 HB3 ASN 17 3HB ASN 17 4.987 -6.781 4.720
126 HD21 ASN 17 1HD2 ASN 17 5.381 -8.569 3.182
127 HD22 ASN 17 2HD2 ASN 17 6.401 -9.909 3.661
128 H GLY 18 H GLY 18 5.681 -7.312 9.232
129 HA2 GLY 18 2HA GLY 18 7.672 -6.973 10.361
130 HA3 GLY 18 3HA GLY 18 8.477 -7.475 8.874
131 H ALA 19 H ALA 19 9.700 -6.008 7.870
132 HA ALA 19 HA ALA 19 10.024 -3.307 8.855
133 HB1 ALA 19 1HB ALA 19 11.877 -4.772 8.095
134 HB2 ALA 19 2HB ALA 19 11.205 -4.777 6.452
135 HB3 ALA 19 3HB ALA 19 11.818 -3.269 7.155
136 H LYS 20 H LYS 20 7.922 -4.603 6.361
137 HA LYS 20 HA LYS 20 8.024 -2.034 4.831
138 HB2 LYS 20 2HB LYS 20 6.925 -4.692 3.865
139 HB3 LYS 20 3HB LYS 20 7.173 -3.209 2.948
140 HG2 LYS 20 2HG LYS 20 9.052 -4.254 2.273
141 HG3 LYS 20 3HG LYS 20 9.717 -3.545 3.748
142 HD2 LYS 20 2HD LYS 20 9.176 -5.730 4.934
143 HD3 LYS 20 3HD LYS 20 8.627 -6.381 3.380
144 HE2 LYS 20 2HE LYS 20 10.888 -5.953 2.424
145 HE3 LYS 20 3HE LYS 20 11.423 -5.327 3.997
146 HZ1 LYS 20 1HZ LYS 20 10.856 -7.524 4.937
147 HZ2 LYS 20 2HZ LYS 20 10.521 -8.083 3.400
148 HZ3 LYS 20 3HZ LYS 20 12.046 -7.611 3.805
149 H ARG 21 H ARG 21 6.412 -0.752 4.613
150 HA ARG 21 HA ARG 21 3.622 -1.683 4.819
151 HB2 ARG 21 2HB ARG 21 2.936 -0.432 6.532
152 HB3 ARG 21 3HB ARG 21 4.605 -0.571 7.048
153 HG2 ARG 21 2HG ARG 21 4.950 1.758 5.896
154 HG3 ARG 21 3HG ARG 21 3.180 1.812 5.855
155 HD2 ARG 21 2HD ARG 21 3.336 1.163 8.386
156 HD3 ARG 21 3HD ARG 21 5.001 1.733 8.259
157 HE ARG 21 HE ARG 21 2.603 3.399 7.503
158 HH11 ARG 21 1HH1 ARG 21 5.701 3.314 9.222
159 HH12 ARG 21 2HH1 ARG 21 5.306 4.791 10.088
160 HH21 ARG 21 1HH2 ARG 21 2.328 5.388 8.546
161 HH22 ARG 21 2HH2 ARG 21 3.652 5.991 9.492
162 H CYS 22 H CYS 22 2.097 0.231 4.064
163 HA CYS 22 HA CYS 22 3.057 1.684 1.800
164 HB2 CYS 22 2HB CYS 22 0.640 2.192 3.588
165 HB3 CYS 22 3HB CYS 22 0.901 2.800 1.938
166 H GLY 23 H GLY 23 1.712 3.987 3.903
167 HA2 GLY 23 2HA GLY 23 2.469 5.760 5.145
168 HA3 GLY 23 3HA GLY 23 3.880 4.774 5.517
169 H THR 24 H THR 24 5.416 4.660 3.573
170 HA THR 24 HA THR 24 5.397 6.942 1.731
171 HB THR 24 HB THR 24 6.827 7.772 3.492
172 HG1 THR 24 HG1 THR 24 8.650 8.124 2.071
173 HG21 THR 24 1HG2 THR 24 9.021 6.802 3.894
174 HG22 THR 24 2HG2 THR 24 7.759 5.658 4.295
175 HG23 THR 24 3HG2 THR 24 8.673 5.470 2.771
176 H CYS 25 H CYS 25 6.611 3.713 2.634
177 HA CYS 25 HA CYS 25 7.274 1.922 1.415
178 HB2 CYS 25 2HB CYS 25 4.977 1.889 0.915
179 HB3 CYS 25 3HB CYS 25 5.081 3.148 -0.264
180 H ARG 26 H ARG 26 7.374 1.920 -1.571
181 HA ARG 26 HA ARG 26 9.183 4.251 -2.142
182 HB2 ARG 26 2HB ARG 26 9.213 1.488 -3.327
183 HB3 ARG 26 3HB ARG 26 9.465 2.824 -4.437
184 HG2 ARG 26 2HG ARG 26 11.109 2.541 -1.898
185 HG3 ARG 26 3HG ARG 26 11.542 1.751 -3.420
186 HD2 ARG 26 2HD ARG 26 11.623 3.906 -4.589
187 HD3 ARG 26 3HD ARG 26 11.153 4.755 -3.124
188 HE ARG 26 HE ARG 26 13.811 3.742 -3.829
189 HH11 ARG 26 1HH1 ARG 26 11.885 5.065 -1.134
190 HH12 ARG 26 2HH1 ARG 26 13.288 4.947 -0.080
191 HH21 ARG 26 1HH2 ARG 26 15.521 4.050 -2.432
192 HH22 ARG 26 2HH2 ARG 26 15.189 4.600 -0.798
193 H GLN 27 H GLN 27 6.083 3.042 -2.243
194 HA GLN 27 HA GLN 27 5.316 4.655 -4.637
195 HB2 GLN 27 2HB GLN 27 4.469 1.874 -3.778
196 HB3 GLN 27 3HB GLN 27 3.749 2.740 -5.126
197 HG2 GLN 27 2HG GLN 27 6.690 1.953 -4.978
198 HG3 GLN 27 3HG GLN 27 5.447 1.009 -5.765
199 HE21 GLN 27 1HE2 GLN 27 7.129 4.204 -5.935
200 HE22 GLN 27 2HE2 GLN 27 6.829 4.386 -7.652
201 H PHE 28 H PHE 28 4.781 4.800 -1.347
202 HA PHE 28 HA PHE 28 1.857 5.015 -1.491
203 HB2 PHE 28 2HB PHE 28 3.071 4.456 0.645
204 HB3 PHE 28 3HB PHE 28 3.676 6.107 0.658
205 HD1 PHE 28 HD1 PHE 28 0.411 4.226 0.362
206 HD2 PHE 28 HD2 PHE 28 2.408 7.780 1.761
207 HE1 PHE 28 HE1 PHE 28 -1.651 4.917 1.553
208 HE2 PHE 28 HE2 PHE 28 0.335 8.474 2.945
209 HZ PHE 28 HZ PHE 28 -1.688 7.034 2.854
210 H ARG 29 H ARG 29 0.638 6.940 -1.465
211 HA ARG 29 HA ARG 29 2.053 9.391 -2.411
212 HB2 ARG 29 2HB ARG 29 1.279 7.838 -4.257
213 HB3 ARG 29 3HB ARG 29 -0.371 8.139 -3.744
214 HG2 ARG 29 2HG ARG 29 0.136 9.564 -5.599
215 HG3 ARG 29 3HG ARG 29 -0.037 10.542 -4.141
216 HD2 ARG 29 2HD ARG 29 2.441 10.749 -3.975
217 HD3 ARG 29 3HD ARG 29 2.624 9.640 -5.351
218 HE ARG 29 HE ARG 29 1.033 12.066 -5.841
219 HH11 ARG 29 1HH1 ARG 29 4.426 11.121 -5.689
220 HH12 ARG 29 2HH1 ARG 29 4.798 12.186 -7.053
221 HH21 ARG 29 1HH2 ARG 29 1.671 13.266 -7.629
222 HH22 ARG 29 2HH2 ARG 29 3.401 13.379 -7.967
223 HA PRO 30 HA PRO 30 -0.563 10.269 1.148
224 HB2 PRO 30 2HB PRO 30 0.961 12.873 0.984
225 HB3 PRO 30 3HB PRO 30 0.531 11.915 2.438
226 HG2 PRO 30 2HG PRO 30 3.019 11.747 1.412
227 HG3 PRO 30 3HG PRO 30 2.165 10.252 1.917
228 HD2 PRO 30 2HD PRO 30 2.488 11.394 -0.869
229 HD3 PRO 30 3HD PRO 30 2.660 9.704 -0.305
230 HA PRO 31 HA PRO 31 -1.728 11.656 2.718
231 HB2 PRO 31 2HB PRO 31 -4.332 11.908 3.445
232 HB3 PRO 31 3HB PRO 31 -3.244 13.307 3.207
233 HG2 PRO 31 2HG PRO 31 -5.219 12.137 1.216
234 HG3 PRO 31 3HG PRO 31 -5.046 13.851 1.723
235 HD2 PRO 31 2HD PRO 31 -3.858 12.931 -0.534
236 HD3 PRO 31 3HD PRO 31 -3.028 14.103 0.520
237 H SER 32 H SER 32 -3.879 10.128 0.279
238 HA SER 32 HA SER 32 -3.738 7.566 1.767
239 HB2 SER 32 2HB SER 32 -6.222 7.365 1.748
240 HB3 SER 32 3HB SER 32 -5.602 8.632 2.803
241 HG SER 32 HG SER 32 -6.823 8.946 0.247
242 H SER 33 H SER 33 -2.715 8.396 -0.907
243 HA SER 33 HA SER 33 -4.179 6.391 -2.593
244 HB2 SER 33 2HB SER 33 -2.631 8.837 -3.498
245 HB3 SER 33 3HB SER 33 -3.400 7.646 -4.549
246 HG SER 33 HG SER 33 -4.659 9.418 -2.717
247 H CYS 34 H CYS 34 -2.673 5.534 -4.365
248 HA CYS 34 HA CYS 34 0.162 5.269 -3.497
249 HB2 CYS 34 2HB CYS 34 -0.967 3.430 -2.460
250 HB3 CYS 34 3HB CYS 34 -1.780 2.989 -3.962
251 H ILE 35 H ILE 35 1.573 4.502 -5.047
252 HA ILE 35 HA ILE 35 0.977 5.268 -7.855
253 HB ILE 35 HB ILE 35 3.619 4.580 -6.530
254 HG12 ILE 35 2HG1 ILE 35 2.488 7.316 -7.287
255 HG13 ILE 35 3HG1 ILE 35 2.588 6.686 -5.647
256 HG21 ILE 35 1HG2 ILE 35 3.655 4.168 -8.973
257 HG22 ILE 35 2HG2 ILE 35 3.038 5.810 -9.261
258 HG23 ILE 35 3HG2 ILE 35 4.652 5.541 -8.567
259 HD11 ILE 35 1HD1 ILE 35 4.400 8.193 -5.926
260 HD12 ILE 35 2HD1 ILE 35 5.073 6.557 -5.845
261 HD13 ILE 35 3HD1 ILE 35 4.949 7.402 -7.404
262 H THR 36 H THR 36 1.254 2.428 -5.845
263 HA THR 36 HA THR 36 1.328 0.602 -8.210
264 HB THR 36 HB THR 36 1.098 -0.096 -5.270
265 HG1 THR 36 HG1 THR 36 3.064 0.110 -5.074
266 HG21 THR 36 1HG2 THR 36 0.542 -1.963 -6.768
267 HG22 THR 36 2HG2 THR 36 2.041 -1.688 -7.688
268 HG23 THR 36 3HG2 THR 36 2.106 -2.227 -5.989
269 H VAL 37 H VAL 37 -0.762 1.622 -5.533
270 HA VAL 37 HA VAL 37 -2.914 -0.230 -6.430
271 HB VAL 37 HB VAL 37 -1.798 0.677 -3.765
272 HG11 VAL 37 1HG1 VAL 37 -4.454 -0.750 -4.067
273 HG12 VAL 37 2HG1 VAL 37 -3.499 -0.578 -2.567
274 HG13 VAL 37 3HG1 VAL 37 -4.174 0.850 -3.328
275 HG21 VAL 37 1HG2 VAL 37 -0.834 -1.312 -4.861
276 HG22 VAL 37 2HG2 VAL 37 -1.685 -1.765 -3.396
277 HG23 VAL 37 3HG2 VAL 37 -2.456 -2.030 -4.982
278 H GLU 38 H GLU 38 -5.044 0.231 -6.056
279 HA GLU 38 HA GLU 38 -6.383 2.523 -6.722
280 HB2 GLU 38 2HB GLU 38 -6.888 0.024 -5.242
281 HB3 GLU 38 3HB GLU 38 -7.890 1.303 -4.609
282 HG2 GLU 38 2HG GLU 38 -7.707 0.754 -7.576
283 HG3 GLU 38 3HG GLU 38 -8.793 -0.142 -6.522
284 H SER 39 H SER 39 -7.909 3.802 -5.405
285 HA SER 39 HA SER 39 -6.755 4.762 -2.834
286 HB2 SER 39 2HB SER 39 -6.005 6.192 -4.690
287 HB3 SER 39 3HB SER 39 -7.699 6.584 -5.026
288 HG SER 39 HG SER 39 -6.141 7.828 -3.432
289 HA PRO 40 HA PRO 40 -7.464 5.979 -1.034
290 HB2 PRO 40 2HB PRO 40 -8.601 5.394 1.369
291 HB3 PRO 40 3HB PRO 40 -9.044 6.842 0.410
292 HG2 PRO 40 2HG PRO 40 -10.456 4.150 0.475
293 HG3 PRO 40 3HG PRO 40 -11.175 5.782 0.671
294 HD2 PRO 40 2HD PRO 40 -11.188 4.511 -1.726
295 HD3 PRO 40 3HD PRO 40 -10.920 6.272 -1.624
296 H ILE 41 H ILE 41 -5.922 4.932 0.113
297 HA ILE 41 HA ILE 41 -6.176 2.113 0.926
298 HB ILE 41 HB ILE 41 -5.109 1.987 -1.244
299 HG12 ILE 41 2HG1 ILE 41 -2.956 0.923 -0.728
300 HG13 ILE 41 3HG1 ILE 41 -2.983 1.568 0.903
301 HG21 ILE 41 1HG2 ILE 41 -2.951 3.884 -0.226
302 HG22 ILE 41 2HG2 ILE 41 -3.012 3.046 -1.795
303 HG23 ILE 41 3HG2 ILE 41 -4.208 4.277 -1.427
304 HD11 ILE 41 1HD1 ILE 41 -3.686 -0.825 0.733
305 HD12 ILE 41 2HD1 ILE 41 -4.949 0.188 1.447
306 HD13 ILE 41 3HD1 ILE 41 -5.083 -0.331 -0.247
307 H SER 42 H SER 42 -4.916 1.624 2.766
308 HA SER 42 HA SER 42 -4.663 3.868 4.546
309 HB2 SER 42 2HB SER 42 -5.471 1.656 5.241
310 HB3 SER 42 3HB SER 42 -3.852 0.985 4.983
311 HG SER 42 HG SER 42 -3.896 1.527 7.083
312 H GLU 43 H GLU 43 -2.883 4.808 5.532
313 HA GLU 43 HA GLU 43 -0.283 4.557 4.334
314 HB2 GLU 43 2HB GLU 43 0.514 5.989 6.049
315 HB3 GLU 43 3HB GLU 43 -0.998 6.619 5.420
316 HG2 GLU 43 2HG GLU 43 -2.181 6.149 7.349
317 HG3 GLU 43 3HG GLU 43 -1.043 4.921 7.905
318 H ASN 44 H ASN 44 -1.745 2.251 6.144
319 HA ASN 44 HA ASN 44 0.879 1.065 6.934
320 HB2 ASN 44 2HB ASN 44 -0.112 0.095 8.891
321 HB3 ASN 44 3HB ASN 44 -0.477 1.818 8.904
322 HD21 ASN 44 1HD2 ASN 44 -2.041 1.410 10.462
323 HD22 ASN 44 2HD2 ASN 44 -3.622 0.913 9.874
324 H GLY 45 H GLY 45 -1.457 0.690 4.614
325 HA2 GLY 45 2HA GLY 45 -2.183 -2.112 5.047
326 HA3 GLY 45 3HA GLY 45 -2.768 -1.028 3.789
327 H TRP 46 H TRP 46 0.363 -2.552 4.685
328 HA TRP 46 HA TRP 46 1.741 -2.309 2.334
329 HB2 TRP 46 2HB TRP 46 2.566 -3.471 4.491
330 HB3 TRP 46 3HB TRP 46 1.640 -4.836 3.985
331 HD1 TRP 46 HD1 TRP 46 4.399 -2.703 2.268
332 HE1 TRP 46 HE1 TRP 46 5.877 -4.254 0.869
333 HE3 TRP 46 HE3 TRP 46 2.002 -7.133 3.113
334 HZ2 TRP 46 HZ2 TRP 46 6.207 -7.093 0.466
335 HZ3 TRP 46 HZ3 TRP 46 2.864 -9.242 2.117
336 HH2 TRP 46 HH2 TRP 46 4.979 -9.230 0.801
337 H CYS 47 H CYS 47 1.851 -3.134 0.305
338 HA CYS 47 HA CYS 47 0.304 -5.582 -0.360
339 HB2 CYS 47 2HB CYS 47 -0.289 -4.683 -2.425
340 HB3 CYS 47 3HB CYS 47 -0.374 -3.261 -1.372
341 H ARG 48 H ARG 48 1.112 -6.983 -1.929
342 HA ARG 48 HA ARG 48 3.971 -7.565 -1.613
343 HB2 ARG 48 2HB ARG 48 1.666 -8.877 -3.131
344 HB3 ARG 48 3HB ARG 48 3.332 -9.443 -3.262
345 HG2 ARG 48 2HG ARG 48 3.452 -9.810 -0.837
346 HG3 ARG 48 3HG ARG 48 1.800 -9.213 -0.639
347 HD2 ARG 48 2HD ARG 48 1.821 -11.613 -0.592
348 HD3 ARG 48 3HD ARG 48 0.953 -11.056 -2.038
349 HE ARG 48 HE ARG 48 3.585 -11.485 -2.892
350 HH11 ARG 48 1HH1 ARG 48 1.229 -13.560 -1.333
351 HH12 ARG 48 2HH1 ARG 48 1.935 -15.008 -2.034
352 HH21 ARG 48 1HH2 ARG 48 4.407 -13.339 -3.722
353 HH22 ARG 48 2HH2 ARG 48 3.845 -14.886 -3.146
354 H LEU 49 H LEU 49 2.121 -5.750 -3.870
355 HA LEU 49 HA LEU 49 4.030 -6.115 -6.073
356 HB2 LEU 49 2HB LEU 49 1.555 -6.206 -6.330
357 HB3 LEU 49 3HB LEU 49 1.474 -4.500 -5.900
358 HG LEU 49 HG LEU 49 2.698 -3.908 -7.967
359 HD11 LEU 49 1HD1 LEU 49 2.703 -6.903 -8.534
360 HD12 LEU 49 2HD1 LEU 49 3.150 -5.607 -9.681
361 HD13 LEU 49 3HD1 LEU 49 4.128 -5.877 -8.253
362 HD21 LEU 49 1HD2 LEU 49 0.241 -4.119 -8.006
363 HD22 LEU 49 2HD2 LEU 49 0.961 -4.524 -9.563
364 HD23 LEU 49 3HD2 LEU 49 0.385 -5.821 -8.476
365 H TYR 50 H TYR 50 4.021 -4.151 -3.396
366 HA TYR 50 HA TYR 50 4.843 -1.673 -4.093
367 HB2 TYR 50 2HB TYR 50 5.865 -1.513 -2.046
368 HB3 TYR 50 3HB TYR 50 4.714 -2.796 -1.781
369 HD1 TYR 50 HD1 TYR 50 5.712 -5.282 -2.082
370 HD2 TYR 50 HD2 TYR 50 8.086 -1.758 -1.383
371 HE1 TYR 50 HE1 TYR 50 7.593 -6.701 -1.240
372 HE2 TYR 50 HE2 TYR 50 9.932 -3.178 -0.498
373 HH TYR 50 HH TYR 50 10.640 -5.299 -0.005
374 H ALA 51 H ALA 51 6.761 -0.576 -4.604
375 HA ALA 51 HA ALA 51 8.555 -2.044 -6.359
376 HB1 ALA 51 1HB ALA 51 9.505 0.108 -6.923
377 HB2 ALA 51 2HB ALA 51 7.740 0.191 -6.980
378 HB3 ALA 51 3HB ALA 51 8.627 0.885 -5.598
379 H GLY 52 H GLY 52 10.675 -2.598 -6.024
380 HA2 GLY 52 2HA GLY 52 11.568 -3.222 -3.447
381 HA3 GLY 52 3HA GLY 52 12.616 -3.126 -4.863
382 H LYS 53 H LYS 53 12.981 -2.353 -1.956
383 HA LYS 53 HA LYS 53 13.220 0.573 -1.898
384 HB2 LYS 53 2HB LYS 53 13.814 -1.618 0.084
385 HB3 LYS 53 3HB LYS 53 14.636 -0.071 0.245
386 HG2 LYS 53 2HG LYS 53 12.744 0.086 1.613
387 HG3 LYS 53 3HG LYS 53 12.432 1.121 0.217
388 HD2 LYS 53 2HD LYS 53 11.048 -0.675 -0.794
389 HD3 LYS 53 3HD LYS 53 11.361 -1.701 0.617
390 HE2 LYS 53 2HE LYS 53 9.679 0.817 0.440
391 HE3 LYS 53 3HE LYS 53 9.166 -0.809 0.885
392 HZ1 LYS 53 1HZ LYS 53 10.763 -0.417 2.905
393 HZ2 LYS 53 2HZ LYS 53 10.640 1.164 2.491
394 HZ3 LYS 53 3HZ LYS 53 9.292 0.329 2.893
395 H ALA 54 H ALA 54 14.387 1.190 -3.449
396 HA ALA 54 HA ALA 54 17.327 1.180 -3.091
397 HB1 ALA 54 1HB ALA 54 15.941 0.587 -5.756
398 HB2 ALA 54 2HB ALA 54 17.684 0.825 -5.510
399 HB3 ALA 54 3HB ALA 54 16.878 -0.576 -4.793
Start of MODEL 9
1 H1 VAL 1 1H VAL 1 -5.322 10.551 -17.351
2 H2 VAL 1 2H VAL 1 -5.872 11.714 -16.337
3 H3 VAL 1 3H VAL 1 -6.896 10.525 -16.865
4 HA VAL 1 HA VAL 1 -4.498 10.087 -15.242
5 HB VAL 1 HB VAL 1 -6.245 11.302 -14.002
6 HG11 VAL 1 1HG1 VAL 1 -7.948 8.787 -14.254
7 HG12 VAL 1 2HG1 VAL 1 -8.311 10.252 -13.321
8 HG13 VAL 1 3HG1 VAL 1 -8.274 10.324 -15.084
9 HG21 VAL 1 1HG2 VAL 1 -4.666 9.810 -12.817
10 HG22 VAL 1 2HG2 VAL 1 -6.231 9.923 -12.017
11 HG23 VAL 1 3HG2 VAL 1 -5.837 8.474 -12.949
12 H THR 2 H THR 2 -3.974 7.942 -14.769
13 HA THR 2 HA THR 2 -5.471 5.904 -16.354
14 HB THR 2 HB THR 2 -3.048 6.091 -16.756
15 HG1 THR 2 HG1 THR 2 -2.825 3.704 -16.329
16 HG21 THR 2 1HG2 THR 2 -2.289 6.453 -14.369
17 HG22 THR 2 2HG2 THR 2 -2.696 4.752 -14.038
18 HG23 THR 2 3HG2 THR 2 -1.442 5.161 -15.229
19 H LYS 3 H LYS 3 -6.431 4.137 -15.524
20 HA LYS 3 HA LYS 3 -6.988 4.044 -12.638
21 HB2 LYS 3 2HB LYS 3 -8.672 3.603 -14.508
22 HB3 LYS 3 3HB LYS 3 -7.821 2.085 -14.793
23 HG2 LYS 3 2HG LYS 3 -9.655 1.513 -13.487
24 HG3 LYS 3 3HG LYS 3 -8.319 1.508 -12.329
25 HD2 LYS 3 2HD LYS 3 -9.021 3.804 -11.581
26 HD3 LYS 3 3HD LYS 3 -10.347 3.766 -12.744
27 HE2 LYS 3 2HE LYS 3 -9.989 1.909 -10.349
28 HE3 LYS 3 3HE LYS 3 -11.126 3.257 -10.475
29 HZ1 LYS 3 1HZ LYS 3 -12.132 2.055 -12.405
30 HZ2 LYS 3 2HZ LYS 3 -11.202 0.759 -12.071
31 HZ3 LYS 3 3HZ LYS 3 -12.325 1.276 -10.981
32 H LYS 4 H LYS 4 -6.042 2.814 -11.219
33 HA LYS 4 HA LYS 4 -3.550 1.464 -11.931
34 HB2 LYS 4 2HB LYS 4 -4.935 1.924 -9.259
35 HB3 LYS 4 3HB LYS 4 -3.344 1.171 -9.387
36 HG2 LYS 4 2HG LYS 4 -3.866 3.761 -10.699
37 HG3 LYS 4 3HG LYS 4 -3.506 3.728 -8.960
38 HD2 LYS 4 2HD LYS 4 -1.307 2.685 -9.514
39 HD3 LYS 4 3HD LYS 4 -1.727 2.764 -11.250
40 HE2 LYS 4 2HE LYS 4 -2.119 5.251 -10.957
41 HE3 LYS 4 3HE LYS 4 -1.499 5.106 -9.311
42 HZ1 LYS 4 1HZ LYS 4 0.234 5.825 -10.870
43 HZ2 LYS 4 2HZ LYS 4 0.625 4.357 -10.271
44 HZ3 LYS 4 3HZ LYS 4 0.033 4.492 -11.792
45 H ALA 5 H ALA 5 -2.990 -0.321 -10.647
46 HA ALA 5 HA ALA 5 -4.628 -2.792 -11.031
47 HB1 ALA 5 1HB ALA 5 -2.087 -2.350 -9.394
48 HB2 ALA 5 2HB ALA 5 -2.840 -3.912 -9.769
49 HB3 ALA 5 3HB ALA 5 -2.136 -2.934 -11.072
50 H SER 6 H SER 6 -6.015 -3.701 -9.364
51 HA SER 6 HA SER 6 -6.750 -1.813 -7.289
52 HB2 SER 6 2HB SER 6 -8.396 -3.336 -6.538
53 HB3 SER 6 3HB SER 6 -8.426 -3.240 -8.299
54 HG SER 6 HG SER 6 -8.463 -5.327 -8.034
55 H HIS 7 H HIS 7 -6.563 -1.932 -5.078
56 HA HIS 7 HA HIS 7 -4.113 -2.848 -3.917
57 HB2 HIS 7 2HB HIS 7 -5.416 -2.416 -1.756
58 HB3 HIS 7 3HB HIS 7 -5.242 -1.074 -2.872
59 HD2 HIS 7 HD2 HIS 7 -7.381 0.118 -3.694
60 HE1 HIS 7 HE1 HIS 7 -10.314 -2.772 -2.587
61 HE2 HIS 7 HE2 HIS 7 -9.946 -0.475 -3.635
62 H LYS 8 H LYS 8 -7.234 -4.360 -4.211
63 HA LYS 8 HA LYS 8 -6.809 -6.815 -2.837
64 HB2 LYS 8 2HB LYS 8 -8.996 -5.956 -3.587
65 HB3 LYS 8 3HB LYS 8 -8.530 -6.233 -5.264
66 HG2 LYS 8 2HG LYS 8 -9.914 -7.998 -4.532
67 HG3 LYS 8 3HG LYS 8 -8.322 -8.676 -4.808
68 HD2 LYS 8 2HD LYS 8 -7.864 -8.804 -2.438
69 HD3 LYS 8 3HD LYS 8 -9.306 -7.857 -2.033
70 HE2 LYS 8 2HE LYS 8 -10.750 -9.670 -2.933
71 HE3 LYS 8 3HE LYS 8 -9.315 -10.598 -3.384
72 HZ1 LYS 8 1HZ LYS 8 -10.077 -9.860 -0.605
73 HZ2 LYS 8 2HZ LYS 8 -10.211 -11.352 -1.251
74 HZ3 LYS 8 3HZ LYS 8 -8.724 -10.688 -1.000
75 H ASP 9 H ASP 9 -6.488 -6.291 -6.380
76 HA ASP 9 HA ASP 9 -5.206 -8.740 -7.023
77 HB2 ASP 9 2HB ASP 9 -5.406 -5.967 -8.220
78 HB3 ASP 9 3HB ASP 9 -4.169 -7.019 -8.815
79 H ALA 10 H ALA 10 -3.822 -5.735 -5.754
80 HA ALA 10 HA ALA 10 -1.071 -6.611 -5.937
81 HB1 ALA 10 1HB ALA 10 -2.384 -4.395 -4.318
82 HB2 ALA 10 2HB ALA 10 -0.669 -4.515 -4.732
83 HB3 ALA 10 3HB ALA 10 -1.875 -4.259 -6.013
84 H GLY 11 H GLY 11 -3.531 -7.598 -3.790
85 HA2 GLY 11 2HA GLY 11 -3.446 -8.954 -1.945
86 HA3 GLY 11 3HA GLY 11 -1.701 -9.130 -2.180
87 H TYR 12 H TYR 12 -3.484 -6.081 -1.597
88 HA TYR 12 HA TYR 12 -1.778 -5.270 0.523
89 HB2 TYR 12 2HB TYR 12 -2.840 -3.319 0.460
90 HB3 TYR 12 3HB TYR 12 -3.360 -3.896 -1.090
91 HD1 TYR 12 HD1 TYR 12 -5.676 -5.528 -0.752
92 HD2 TYR 12 HD2 TYR 12 -4.410 -2.214 1.693
93 HE1 TYR 12 HE1 TYR 12 -8.020 -5.203 -0.007
94 HE2 TYR 12 HE2 TYR 12 -6.781 -1.898 2.459
95 HH TYR 12 HH TYR 12 -9.461 -3.940 1.254
96 H GLN 13 H GLN 13 -2.567 -4.546 2.686
97 HA GLN 13 HA GLN 13 -4.614 -6.203 3.995
98 HB2 GLN 13 2HB GLN 13 -2.779 -6.715 5.844
99 HB3 GLN 13 3HB GLN 13 -3.059 -7.763 4.472
100 HG2 GLN 13 2HG GLN 13 -1.097 -6.804 3.287
101 HG3 GLN 13 3HG GLN 13 -0.769 -5.756 4.676
102 HE21 GLN 13 1HE2 GLN 13 1.090 -6.421 5.407
103 HE22 GLN 13 2HE2 GLN 13 1.459 -8.109 5.721
104 H GLU 14 H GLU 14 -4.795 -5.557 6.410
105 HA GLU 14 HA GLU 14 -5.076 -2.674 6.454
106 HB2 GLU 14 2HB GLU 14 -6.106 -2.915 8.563
107 HB3 GLU 14 3HB GLU 14 -6.686 -4.207 7.515
108 HG2 GLU 14 2HG GLU 14 -5.077 -5.775 8.656
109 HG3 GLU 14 3HG GLU 14 -4.550 -4.448 9.686
110 H SER 15 H SER 15 -2.419 -4.641 7.235
111 HA SER 15 HA SER 15 -1.093 -2.522 8.802
112 HB2 SER 15 2HB SER 15 -0.260 -4.474 10.341
113 HB3 SER 15 3HB SER 15 -1.831 -3.756 10.598
114 HG SER 15 HG SER 15 -1.132 -6.271 9.538
115 HA PRO 16 HA PRO 16 2.608 -3.352 6.661
116 HB2 PRO 16 2HB PRO 16 4.005 -3.771 9.283
117 HB3 PRO 16 3HB PRO 16 4.475 -2.699 7.944
118 HG2 PRO 16 2HG PRO 16 3.309 -1.683 10.158
119 HG3 PRO 16 3HG PRO 16 2.841 -1.096 8.538
120 HD2 PRO 16 2HD PRO 16 1.345 -3.035 10.320
121 HD3 PRO 16 3HD PRO 16 0.742 -1.722 9.285
122 H ASN 17 H ASN 17 4.312 -4.835 6.152
123 HA ASN 17 HA ASN 17 4.046 -7.652 7.155
124 HB2 ASN 17 2HB ASN 17 3.618 -7.604 4.813
125 HB3 ASN 17 3HB ASN 17 4.909 -6.462 4.513
126 HD21 ASN 17 1HD2 ASN 17 5.334 -8.197 2.817
127 HD22 ASN 17 2HD2 ASN 17 6.495 -9.434 3.297
128 H GLY 18 H GLY 18 5.184 -7.099 9.075
129 HA2 GLY 18 2HA GLY 18 7.031 -7.018 10.420
130 HA3 GLY 18 3HA GLY 18 7.919 -7.697 9.057
131 H ALA 19 H ALA 19 9.378 -6.446 8.008
132 HA ALA 19 HA ALA 19 10.049 -3.797 9.033
133 HB1 ALA 19 1HB ALA 19 11.758 -5.468 8.461
134 HB2 ALA 19 2HB ALA 19 11.216 -5.466 6.766
135 HB3 ALA 19 3HB ALA 19 11.942 -4.008 7.474
136 H LYS 20 H LYS 20 8.033 -4.897 6.350
137 HA LYS 20 HA LYS 20 8.454 -2.374 4.821
138 HB2 LYS 20 2HB LYS 20 7.004 -4.924 4.078
139 HB3 LYS 20 3HB LYS 20 7.413 -3.600 3.011
140 HG2 LYS 20 2HG LYS 20 9.437 -4.457 2.550
141 HG3 LYS 20 3HG LYS 20 9.869 -4.569 4.258
142 HD2 LYS 20 2HD LYS 20 8.522 -6.678 4.409
143 HD3 LYS 20 3HD LYS 20 8.204 -6.576 2.686
144 HE2 LYS 20 2HE LYS 20 10.717 -6.600 2.288
145 HE3 LYS 20 3HE LYS 20 10.937 -6.848 4.024
146 HZ1 LYS 20 1HZ LYS 20 9.576 -8.703 2.148
147 HZ2 LYS 20 2HZ LYS 20 11.000 -8.951 2.945
148 HZ3 LYS 20 3HZ LYS 20 9.591 -8.900 3.787
149 H ARG 21 H ARG 21 6.970 -0.790 4.668
150 HA ARG 21 HA ARG 21 4.102 -1.486 4.748
151 HB2 ARG 21 2HB ARG 21 3.459 -0.247 6.481
152 HB3 ARG 21 3HB ARG 21 5.082 -0.543 7.074
153 HG2 ARG 21 2HG ARG 21 5.788 1.701 6.182
154 HG3 ARG 21 3HG ARG 21 4.119 1.951 5.622
155 HD2 ARG 21 2HD ARG 21 3.426 1.526 8.085
156 HD3 ARG 21 3HD ARG 21 5.109 1.791 8.487
157 HE ARG 21 HE ARG 21 3.178 3.749 7.308
158 HH11 ARG 21 1HH1 ARG 21 6.517 3.363 8.431
159 HH12 ARG 21 2HH1 ARG 21 6.689 5.105 8.581
160 HH21 ARG 21 1HH2 ARG 21 3.510 5.955 7.888
161 HH22 ARG 21 2HH2 ARG 21 5.180 6.399 8.188
162 H CYS 22 H CYS 22 2.699 0.268 3.773
163 HA CYS 22 HA CYS 22 3.506 1.188 1.359
164 HB2 CYS 22 2HB CYS 22 1.436 2.279 3.324
165 HB3 CYS 22 3HB CYS 22 1.533 2.737 1.628
166 H GLY 23 H GLY 23 3.689 3.249 4.325
167 HA2 GLY 23 2HA GLY 23 4.841 5.544 3.229
168 HA3 GLY 23 3HA GLY 23 5.146 4.903 4.841
169 H THR 24 H THR 24 6.690 2.623 4.388
170 HA THR 24 HA THR 24 9.231 3.772 3.506
171 HB THR 24 HB THR 24 10.263 1.747 4.314
172 HG1 THR 24 HG1 THR 24 9.271 0.040 4.669
173 HG21 THR 24 1HG2 THR 24 9.701 1.874 6.673
174 HG22 THR 24 2HG2 THR 24 9.724 3.500 5.974
175 HG23 THR 24 3HG2 THR 24 8.172 2.703 6.308
176 H CYS 25 H CYS 25 6.871 1.684 2.092
177 HA CYS 25 HA CYS 25 8.299 0.739 -0.210
178 HB2 CYS 25 2HB CYS 25 6.009 0.000 0.412
179 HB3 CYS 25 3HB CYS 25 5.411 1.625 0.230
180 H ARG 26 H ARG 26 6.932 3.880 0.657
181 HA ARG 26 HA ARG 26 7.001 5.947 -0.265
182 HB2 ARG 26 2HB ARG 26 9.270 5.190 -2.086
183 HB3 ARG 26 3HB ARG 26 8.883 6.747 -1.354
184 HG2 ARG 26 2HG ARG 26 9.364 5.610 0.931
185 HG3 ARG 26 3HG ARG 26 9.993 4.254 -0.011
186 HD2 ARG 26 2HD ARG 26 11.859 5.493 0.516
187 HD3 ARG 26 3HD ARG 26 11.528 5.818 -1.189
188 HE ARG 26 HE ARG 26 10.337 7.769 0.692
189 HH11 ARG 26 1HH1 ARG 26 13.312 7.133 -1.117
190 HH12 ARG 26 2HH1 ARG 26 13.866 8.767 -0.874
191 HH21 ARG 26 1HH2 ARG 26 11.087 9.864 0.782
192 HH22 ARG 26 2HH2 ARG 26 12.532 10.300 -0.100
193 H GLN 27 H GLN 27 5.672 3.533 -1.783
194 HA GLN 27 HA GLN 27 4.895 5.065 -4.209
195 HB2 GLN 27 2HB GLN 27 4.096 2.319 -3.211
196 HB3 GLN 27 3HB GLN 27 3.556 3.042 -4.723
197 HG2 GLN 27 2HG GLN 27 6.503 2.579 -4.070
198 HG3 GLN 27 3HG GLN 27 5.511 1.390 -4.872
199 HE21 GLN 27 1HE2 GLN 27 4.621 1.897 -6.984
200 HE22 GLN 27 2HE2 GLN 27 5.481 3.063 -8.012
201 H PHE 28 H PHE 28 3.838 4.552 -0.912
202 HA PHE 28 HA PHE 28 1.127 5.182 -1.064
203 HB2 PHE 28 2HB PHE 28 2.232 4.602 1.017
204 HB3 PHE 28 3HB PHE 28 3.229 6.045 0.958
205 HD1 PHE 28 HD1 PHE 28 -0.411 5.022 0.973
206 HD2 PHE 28 HD2 PHE 28 2.530 7.958 2.142
207 HE1 PHE 28 HE1 PHE 28 -2.169 6.322 2.150
208 HE2 PHE 28 HE2 PHE 28 0.771 9.242 3.334
209 HZ PHE 28 HZ PHE 28 -1.580 8.430 3.329
210 H ARG 29 H ARG 29 -0.089 6.974 -1.255
211 HA ARG 29 HA ARG 29 1.206 9.576 -1.912
212 HB2 ARG 29 2HB ARG 29 0.882 8.209 -3.944
213 HB3 ARG 29 3HB ARG 29 -0.820 8.004 -3.556
214 HG2 ARG 29 2HG ARG 29 -0.618 9.658 -5.270
215 HG3 ARG 29 3HG ARG 29 -1.164 10.427 -3.776
216 HD2 ARG 29 2HD ARG 29 1.181 11.216 -3.362
217 HD3 ARG 29 3HD ARG 29 1.705 10.410 -4.850
218 HE ARG 29 HE ARG 29 -0.441 12.167 -5.498
219 HH11 ARG 29 1HH1 ARG 29 2.917 12.499 -4.473
220 HH12 ARG 29 2HH1 ARG 29 3.106 13.994 -5.355
221 HH21 ARG 29 1HH2 ARG 29 -0.194 14.034 -6.438
222 HH22 ARG 29 2HH2 ARG 29 1.289 14.959 -6.307
223 HA PRO 30 HA PRO 30 -1.941 10.127 1.236
224 HB2 PRO 30 2HB PRO 30 -1.514 12.773 1.932
225 HB3 PRO 30 3HB PRO 30 -0.490 11.404 2.458
226 HG2 PRO 30 2HG PRO 30 -0.043 13.270 0.106
227 HG3 PRO 30 3HG PRO 30 1.130 12.788 1.374
228 HD2 PRO 30 2HD PRO 30 1.094 11.569 -1.036
229 HD3 PRO 30 3HD PRO 30 1.360 10.606 0.451
230 HA PRO 31 HA PRO 31 -3.510 11.344 2.628
231 HB2 PRO 31 2HB PRO 31 -6.188 11.173 3.050
232 HB3 PRO 31 3HB PRO 31 -5.340 12.734 2.832
233 HG2 PRO 31 2HG PRO 31 -6.877 11.136 0.757
234 HG3 PRO 31 3HG PRO 31 -7.005 12.886 1.127
235 HD2 PRO 31 2HD PRO 31 -5.456 11.935 -0.927
236 HD3 PRO 31 3HD PRO 31 -4.988 13.369 0.026
237 H SER 32 H SER 32 -5.250 9.459 0.119
238 HA SER 32 HA SER 32 -4.729 6.956 1.610
239 HB2 SER 32 2HB SER 32 -6.916 8.033 2.328
240 HB3 SER 32 3HB SER 32 -7.516 7.718 0.697
241 HG SER 32 HG SER 32 -6.330 5.620 2.151
242 H SER 33 H SER 33 -3.553 7.922 -0.865
243 HA SER 33 HA SER 33 -4.582 5.920 -2.840
244 HB2 SER 33 2HB SER 33 -3.150 8.531 -3.427
245 HB3 SER 33 3HB SER 33 -3.741 7.369 -4.609
246 HG SER 33 HG SER 33 -5.304 8.847 -4.541
247 H CYS 34 H CYS 34 -2.809 5.389 -4.473
248 HA CYS 34 HA CYS 34 -0.058 5.354 -3.368
249 HB2 CYS 34 2HB CYS 34 -1.047 3.269 -2.588
250 HB3 CYS 34 3HB CYS 34 -1.626 2.898 -4.203
251 H ILE 35 H ILE 35 1.398 4.397 -5.045
252 HA ILE 35 HA ILE 35 0.823 5.480 -7.783
253 HB ILE 35 HB ILE 35 3.438 4.954 -6.334
254 HG12 ILE 35 2HG1 ILE 35 2.248 7.581 -7.354
255 HG13 ILE 35 3HG1 ILE 35 2.060 7.024 -5.700
256 HG21 ILE 35 1HG2 ILE 35 3.017 6.044 -9.161
257 HG22 ILE 35 2HG2 ILE 35 4.571 5.922 -8.312
258 HG23 ILE 35 3HG2 ILE 35 3.712 4.462 -8.761
259 HD11 ILE 35 1HD1 ILE 35 4.532 7.029 -5.402
260 HD12 ILE 35 2HD1 ILE 35 4.687 7.757 -7.018
261 HD13 ILE 35 3HD1 ILE 35 3.829 8.621 -5.737
262 H THR 36 H THR 36 1.470 2.514 -5.969
263 HA THR 36 HA THR 36 1.632 0.971 -8.515
264 HB THR 36 HB THR 36 1.711 -0.455 -5.914
265 HG1 THR 36 HG1 THR 36 3.333 0.502 -5.227
266 HG21 THR 36 1HG2 THR 36 3.363 -0.574 -8.478
267 HG22 THR 36 2HG2 THR 36 3.518 -1.659 -7.084
268 HG23 THR 36 3HG2 THR 36 2.022 -1.660 -8.043
269 H VAL 37 H VAL 37 -0.612 1.640 -5.868
270 HA VAL 37 HA VAL 37 -2.554 -0.226 -7.151
271 HB VAL 37 HB VAL 37 -3.366 -0.992 -5.107
272 HG11 VAL 37 1HG1 VAL 37 -0.333 -1.029 -4.839
273 HG12 VAL 37 2HG1 VAL 37 -1.475 -2.184 -4.175
274 HG13 VAL 37 3HG1 VAL 37 -1.274 -2.053 -5.945
275 HG21 VAL 37 1HG2 VAL 37 -3.138 1.067 -3.686
276 HG22 VAL 37 2HG2 VAL 37 -2.574 -0.417 -2.911
277 HG23 VAL 37 3HG2 VAL 37 -1.395 0.717 -3.565
278 H GLU 38 H GLU 38 -4.770 0.091 -6.773
279 HA GLU 38 HA GLU 38 -5.934 2.662 -7.011
280 HB2 GLU 38 2HB GLU 38 -6.921 -0.018 -5.992
281 HB3 GLU 38 3HB GLU 38 -7.948 1.385 -5.910
282 HG2 GLU 38 2HG GLU 38 -7.722 1.718 -8.352
283 HG3 GLU 38 3HG GLU 38 -6.833 0.199 -8.468
284 H SER 39 H SER 39 -7.164 3.895 -5.652
285 HA SER 39 HA SER 39 -6.678 3.811 -2.730
286 HB2 SER 39 2HB SER 39 -7.846 5.965 -2.685
287 HB3 SER 39 3HB SER 39 -6.505 5.984 -3.833
288 HG SER 39 HG SER 39 -9.243 6.125 -4.256
289 HA PRO 40 HA PRO 40 -8.095 4.731 -0.932
290 HB2 PRO 40 2HB PRO 40 -9.311 3.786 1.279
291 HB3 PRO 40 3HB PRO 40 -10.144 4.862 0.115
292 HG2 PRO 40 2HG PRO 40 -10.288 1.832 0.281
293 HG3 PRO 40 3HG PRO 40 -11.642 2.997 0.169
294 HD2 PRO 40 2HD PRO 40 -10.606 1.708 -2.026
295 HD3 PRO 40 3HD PRO 40 -11.259 3.369 -2.117
296 H ILE 41 H ILE 41 -6.353 4.399 0.343
297 HA ILE 41 HA ILE 41 -5.564 1.711 1.292
298 HB ILE 41 HB ILE 41 -4.569 2.728 -1.072
299 HG12 ILE 41 2HG1 ILE 41 -4.449 0.434 -0.513
300 HG13 ILE 41 3HG1 ILE 41 -2.872 1.029 -1.004
301 HG21 ILE 41 1HG2 ILE 41 -2.356 3.323 0.920
302 HG22 ILE 41 2HG2 ILE 41 -2.301 3.416 -0.834
303 HG23 ILE 41 3HG2 ILE 41 -3.331 4.537 0.057
304 HD11 ILE 41 1HD1 ILE 41 -3.727 0.340 1.833
305 HD12 ILE 41 2HD1 ILE 41 -2.599 -0.538 0.794
306 HD13 ILE 41 3HD1 ILE 41 -2.150 1.061 1.397
307 H SER 42 H SER 42 -3.588 1.899 2.801
308 HA SER 42 HA SER 42 -3.867 4.319 4.559
309 HB2 SER 42 2HB SER 42 -4.717 2.160 5.475
310 HB3 SER 42 3HB SER 42 -3.105 1.472 5.301
311 HG SER 42 HG SER 42 -2.883 2.202 7.237
312 H GLU 43 H GLU 43 -1.904 5.125 5.571
313 HA GLU 43 HA GLU 43 0.510 4.929 4.052
314 HB2 GLU 43 2HB GLU 43 1.564 6.168 5.802
315 HB3 GLU 43 3HB GLU 43 -0.020 6.859 5.497
316 HG2 GLU 43 2HG GLU 43 -0.945 5.923 7.504
317 HG3 GLU 43 3HG GLU 43 0.468 4.906 7.752
318 H ASN 44 H ASN 44 -0.780 2.612 6.137
319 HA ASN 44 HA ASN 44 1.847 1.253 6.409
320 HB2 ASN 44 2HB ASN 44 1.136 0.369 8.543
321 HB3 ASN 44 3HB ASN 44 0.945 2.114 8.599
322 HD21 ASN 44 1HD2 ASN 44 -0.191 1.227 10.508
323 HD22 ASN 44 2HD2 ASN 44 -1.931 1.262 10.242
324 H GLY 45 H GLY 45 -0.740 1.049 4.478
325 HA2 GLY 45 2HA GLY 45 -1.895 -1.497 5.144
326 HA3 GLY 45 3HA GLY 45 -2.282 -0.467 3.765
327 H TRP 46 H TRP 46 0.813 -2.005 4.492
328 HA TRP 46 HA TRP 46 1.921 -2.228 2.148
329 HB2 TRP 46 2HB TRP 46 2.827 -3.193 4.287
330 HB3 TRP 46 3HB TRP 46 1.817 -4.594 4.040
331 HD1 TRP 46 HD1 TRP 46 4.824 -2.823 2.463
332 HE1 TRP 46 HE1 TRP 46 6.169 -4.463 1.040
333 HE3 TRP 46 HE3 TRP 46 1.722 -6.884 2.728
334 HZ2 TRP 46 HZ2 TRP 46 6.037 -7.239 0.266
335 HZ3 TRP 46 HZ3 TRP 46 2.344 -9.009 1.611
336 HH2 TRP 46 HH2 TRP 46 4.494 -9.202 0.375
337 H CYS 47 H CYS 47 1.817 -3.066 0.167
338 HA CYS 47 HA CYS 47 0.239 -5.549 -0.312
339 HB2 CYS 47 2HB CYS 47 -0.553 -4.690 -2.321
340 HB3 CYS 47 3HB CYS 47 -0.504 -3.212 -1.343
341 H ARG 48 H ARG 48 0.946 -6.738 -2.235
342 HA ARG 48 HA ARG 48 3.717 -7.569 -1.828
343 HB2 ARG 48 2HB ARG 48 1.570 -8.596 -3.741
344 HB3 ARG 48 3HB ARG 48 3.096 -9.397 -3.365
345 HG2 ARG 48 2HG ARG 48 2.414 -9.725 -1.033
346 HG3 ARG 48 3HG ARG 48 0.917 -8.820 -1.297
347 HD2 ARG 48 2HD ARG 48 0.501 -11.211 -1.307
348 HD3 ARG 48 3HD ARG 48 0.108 -10.496 -2.871
349 HE ARG 48 HE ARG 48 2.598 -12.079 -2.248
350 HH11 ARG 48 1HH1 ARG 48 0.310 -11.061 -4.775
351 HH12 ARG 48 2HH1 ARG 48 1.332 -11.721 -6.010
352 HH21 ARG 48 1HH2 ARG 48 3.629 -13.039 -3.745
353 HH22 ARG 48 2HH2 ARG 48 3.074 -13.045 -5.424
354 H LEU 49 H LEU 49 2.338 -5.284 -3.927
355 HA LEU 49 HA LEU 49 4.172 -5.811 -6.191
356 HB2 LEU 49 2HB LEU 49 2.239 -3.507 -5.744
357 HB3 LEU 49 3HB LEU 49 3.126 -3.887 -7.225
358 HG LEU 49 HG LEU 49 0.925 -5.562 -5.982
359 HD11 LEU 49 1HD1 LEU 49 1.061 -4.013 -8.610
360 HD12 LEU 49 2HD1 LEU 49 -0.332 -4.929 -7.998
361 HD13 LEU 49 3HD1 LEU 49 0.212 -3.470 -7.153
362 HD21 LEU 49 1HD2 LEU 49 2.538 -6.040 -8.506
363 HD22 LEU 49 2HD2 LEU 49 2.498 -7.078 -7.059
364 HD23 LEU 49 3HD2 LEU 49 1.056 -6.918 -8.062
365 H TYR 50 H TYR 50 3.737 -3.312 -3.668
366 HA TYR 50 HA TYR 50 5.195 -2.000 -2.583
367 HB2 TYR 50 2HB TYR 50 5.816 -4.431 -2.150
368 HB3 TYR 50 3HB TYR 50 7.180 -4.202 -3.232
369 HD1 TYR 50 HD1 TYR 50 5.553 -2.506 -0.293
370 HD2 TYR 50 HD2 TYR 50 9.248 -3.681 -2.183
371 HE1 TYR 50 HE1 TYR 50 6.854 -1.636 1.666
372 HE2 TYR 50 HE2 TYR 50 10.522 -2.826 -0.233
373 HH TYR 50 HH TYR 50 10.389 -1.900 1.886
374 H ALA 51 H ALA 51 7.799 -1.423 -2.558
375 HA ALA 51 HA ALA 51 7.888 0.855 -3.899
376 HB1 ALA 51 1HB ALA 51 10.376 -0.725 -3.118
377 HB2 ALA 51 2HB ALA 51 10.241 1.046 -3.235
378 HB3 ALA 51 3HB ALA 51 9.350 0.179 -1.994
379 H GLY 52 H GLY 52 8.414 1.729 -5.803
380 HA2 GLY 52 2HA GLY 52 9.556 0.283 -8.037
381 HA3 GLY 52 3HA GLY 52 9.151 1.999 -7.973
382 H LYS 53 H LYS 53 10.579 2.355 -5.406
383 HA LYS 53 HA LYS 53 13.249 2.911 -6.155
384 HB2 LYS 53 2HB LYS 53 11.912 2.827 -3.445
385 HB3 LYS 53 3HB LYS 53 13.521 3.471 -3.765
386 HG2 LYS 53 2HG LYS 53 10.974 4.475 -5.070
387 HG3 LYS 53 3HG LYS 53 11.723 5.226 -3.660
388 HD2 LYS 53 2HD LYS 53 13.760 5.603 -5.148
389 HD3 LYS 53 3HD LYS 53 12.797 4.986 -6.504
390 HE2 LYS 53 2HE LYS 53 12.025 7.380 -4.781
391 HE3 LYS 53 3HE LYS 53 12.868 7.493 -6.328
392 HZ1 LYS 53 1HZ LYS 53 10.965 6.456 -7.402
393 HZ2 LYS 53 2HZ LYS 53 10.137 6.355 -5.972
394 HZ3 LYS 53 3HZ LYS 53 10.512 7.819 -6.602
395 H ALA 54 H ALA 54 14.719 1.616 -6.423
396 HA ALA 54 HA ALA 54 16.176 -0.115 -6.521
397 HB1 ALA 54 1HB ALA 54 15.475 -0.625 -3.609
398 HB2 ALA 54 2HB ALA 54 16.966 -1.076 -4.454
399 HB3 ALA 54 3HB ALA 54 16.589 0.630 -4.198
Start of MODEL 10
1 H1 VAL 1 1H VAL 1 -10.014 6.093 -19.770
2 H2 VAL 1 2H VAL 1 -10.781 7.550 -19.738
3 H3 VAL 1 3H VAL 1 -11.286 6.338 -18.745
4 HA VAL 1 HA VAL 1 -8.721 7.757 -18.597
5 HB VAL 1 HB VAL 1 -10.873 7.666 -16.462
6 HG11 VAL 1 1HG1 VAL 1 -8.349 9.346 -16.816
7 HG12 VAL 1 2HG1 VAL 1 -9.581 9.634 -15.578
8 HG13 VAL 1 3HG1 VAL 1 -8.660 8.141 -15.542
9 HG21 VAL 1 1HG2 VAL 1 -11.771 8.964 -18.369
10 HG22 VAL 1 2HG2 VAL 1 -11.348 10.018 -17.029
11 HG23 VAL 1 3HG2 VAL 1 -10.260 9.917 -18.426
12 H THR 2 H THR 2 -7.165 6.952 -17.280
13 HA THR 2 HA THR 2 -6.958 4.204 -16.673
14 HB THR 2 HB THR 2 -5.042 5.632 -16.980
15 HG1 THR 2 HG1 THR 2 -3.836 4.728 -15.511
16 HG21 THR 2 1HG2 THR 2 -5.823 6.985 -14.355
17 HG22 THR 2 2HG2 THR 2 -4.258 7.160 -15.177
18 HG23 THR 2 3HG2 THR 2 -5.730 7.746 -15.951
19 H LYS 3 H LYS 3 -6.729 3.116 -14.703
20 HA LYS 3 HA LYS 3 -7.794 4.199 -12.190
21 HB2 LYS 3 2HB LYS 3 -9.609 2.865 -13.583
22 HB3 LYS 3 3HB LYS 3 -8.648 1.448 -13.195
23 HG2 LYS 3 2HG LYS 3 -10.392 1.538 -11.603
24 HG3 LYS 3 3HG LYS 3 -8.944 2.058 -10.727
25 HD2 LYS 3 2HD LYS 3 -9.630 4.415 -10.951
26 HD3 LYS 3 3HD LYS 3 -10.990 3.947 -11.978
27 HE2 LYS 3 2HE LYS 3 -12.051 2.724 -10.164
28 HE3 LYS 3 3HE LYS 3 -10.644 2.935 -9.123
29 HZ1 LYS 3 1HZ LYS 3 -11.093 5.280 -9.032
30 HZ2 LYS 3 2HZ LYS 3 -12.358 5.180 -10.063
31 HZ3 LYS 3 3HZ LYS 3 -12.441 4.473 -8.581
32 H LYS 4 H LYS 4 -6.615 3.331 -10.404
33 HA LYS 4 HA LYS 4 -4.116 1.962 -11.090
34 HB2 LYS 4 2HB LYS 4 -5.281 2.901 -8.468
35 HB3 LYS 4 3HB LYS 4 -3.788 1.969 -8.525
36 HG2 LYS 4 2HG LYS 4 -3.923 4.213 -10.417
37 HG3 LYS 4 3HG LYS 4 -3.925 4.682 -8.711
38 HD2 LYS 4 2HD LYS 4 -1.727 4.870 -9.528
39 HD3 LYS 4 3HD LYS 4 -1.765 3.487 -8.419
40 HE2 LYS 4 2HE LYS 4 -1.574 1.940 -10.107
41 HE3 LYS 4 3HE LYS 4 -2.290 2.982 -11.324
42 HZ1 LYS 4 1HZ LYS 4 0.443 3.398 -10.265
43 HZ2 LYS 4 2HZ LYS 4 0.086 2.735 -11.726
44 HZ3 LYS 4 3HZ LYS 4 -0.290 4.304 -11.411
45 H ALA 5 H ALA 5 -3.325 0.186 -9.784
46 HA ALA 5 HA ALA 5 -4.914 -2.173 -10.490
47 HB1 ALA 5 1HB ALA 5 -2.349 -2.005 -8.853
48 HB2 ALA 5 2HB ALA 5 -3.043 -3.462 -9.591
49 HB3 ALA 5 3HB ALA 5 -2.431 -2.155 -10.624
50 H SER 6 H SER 6 -6.051 -3.635 -9.095
51 HA SER 6 HA SER 6 -7.137 -2.351 -6.754
52 HB2 SER 6 2HB SER 6 -8.392 -4.388 -6.354
53 HB3 SER 6 3HB SER 6 -8.509 -3.853 -8.034
54 HG SER 6 HG SER 6 -7.900 -5.753 -8.513
55 H HIS 7 H HIS 7 -7.026 -2.866 -4.596
56 HA HIS 7 HA HIS 7 -4.571 -3.617 -3.330
57 HB2 HIS 7 2HB HIS 7 -6.219 -3.934 -1.358
58 HB3 HIS 7 3HB HIS 7 -6.119 -2.327 -2.087
59 HD2 HIS 7 HD2 HIS 7 -8.307 -1.342 -3.187
60 HE1 HIS 7 HE1 HIS 7 -10.764 -4.815 -3.074
61 HE2 HIS 7 HE2 HIS 7 -10.688 -2.342 -3.689
62 H LYS 8 H LYS 8 -7.078 -5.467 -4.637
63 HA LYS 8 HA LYS 8 -6.441 -8.114 -3.558
64 HB2 LYS 8 2HB LYS 8 -8.669 -7.615 -4.190
65 HB3 LYS 8 3HB LYS 8 -8.216 -7.071 -5.785
66 HG2 LYS 8 2HG LYS 8 -7.858 -9.940 -4.853
67 HG3 LYS 8 3HG LYS 8 -9.331 -9.318 -5.612
68 HD2 LYS 8 2HD LYS 8 -7.379 -8.496 -7.395
69 HD3 LYS 8 3HD LYS 8 -6.736 -10.051 -6.835
70 HE2 LYS 8 2HE LYS 8 -8.961 -11.102 -7.391
71 HE3 LYS 8 3HE LYS 8 -9.498 -9.535 -8.018
72 HZ1 LYS 8 1HZ LYS 8 -8.693 -10.820 -9.823
73 HZ2 LYS 8 2HZ LYS 8 -7.545 -9.653 -9.564
74 HZ3 LYS 8 3HZ LYS 8 -7.284 -11.194 -9.080
75 H ASP 9 H ASP 9 -5.975 -6.719 -6.830
76 HA ASP 9 HA ASP 9 -4.246 -8.763 -7.793
77 HB2 ASP 9 2HB ASP 9 -4.987 -5.938 -8.558
78 HB3 ASP 9 3HB ASP 9 -3.527 -6.568 -9.220
79 H ALA 10 H ALA 10 -3.505 -5.784 -6.002
80 HA ALA 10 HA ALA 10 -0.630 -6.123 -6.163
81 HB1 ALA 10 1HB ALA 10 -2.341 -4.449 -4.283
82 HB2 ALA 10 2HB ALA 10 -0.615 -4.232 -4.650
83 HB3 ALA 10 3HB ALA 10 -1.822 -3.968 -5.915
84 H GLY 11 H GLY 11 -3.115 -7.323 -3.917
85 HA2 GLY 11 2HA GLY 11 -2.930 -8.871 -2.206
86 HA3 GLY 11 3HA GLY 11 -1.185 -8.983 -2.459
87 H TYR 12 H TYR 12 -3.189 -6.126 -1.750
88 HA TYR 12 HA TYR 12 -1.486 -5.242 0.453
89 HB2 TYR 12 2HB TYR 12 -2.292 -3.589 -1.082
90 HB3 TYR 12 3HB TYR 12 -3.931 -4.128 -0.932
91 HD1 TYR 12 HD1 TYR 12 -1.230 -2.240 0.718
92 HD2 TYR 12 HD2 TYR 12 -5.371 -3.463 0.927
93 HE1 TYR 12 HE1 TYR 12 -1.663 -0.518 2.441
94 HE2 TYR 12 HE2 TYR 12 -5.774 -1.771 2.705
95 HH TYR 12 HH TYR 12 -3.058 0.214 3.945
96 H GLN 13 H GLN 13 -2.205 -4.746 2.549
97 HA GLN 13 HA GLN 13 -4.440 -6.317 3.711
98 HB2 GLN 13 2HB GLN 13 -2.783 -7.038 5.530
99 HB3 GLN 13 3HB GLN 13 -2.686 -7.875 3.997
100 HG2 GLN 13 2HG GLN 13 -0.734 -6.516 3.324
101 HG3 GLN 13 3HG GLN 13 -0.844 -5.623 4.847
102 HE21 GLN 13 1HE2 GLN 13 1.281 -6.141 5.136
103 HE22 GLN 13 2HE2 GLN 13 1.600 -7.646 5.971
104 H GLU 14 H GLU 14 -5.008 -5.699 5.846
105 HA GLU 14 HA GLU 14 -4.995 -2.898 6.340
106 HB2 GLU 14 2HB GLU 14 -6.354 -3.447 8.249
107 HB3 GLU 14 3HB GLU 14 -6.801 -4.495 6.900
108 HG2 GLU 14 2HG GLU 14 -5.603 -6.380 7.864
109 HG3 GLU 14 3HG GLU 14 -4.898 -5.372 9.119
110 H SER 15 H SER 15 -2.450 -4.957 7.089
111 HA SER 15 HA SER 15 -1.336 -2.949 8.888
112 HB2 SER 15 2HB SER 15 -0.639 -4.910 10.520
113 HB3 SER 15 3HB SER 15 -2.112 -3.971 10.717
114 HG SER 15 HG SER 15 -1.937 -6.513 9.445
115 HA PRO 16 HA PRO 16 2.371 -3.524 6.817
116 HB2 PRO 16 2HB PRO 16 3.876 -3.634 9.397
117 HB3 PRO 16 3HB PRO 16 4.146 -2.603 7.982
118 HG2 PRO 16 2HG PRO 16 2.891 -1.694 10.241
119 HG3 PRO 16 3HG PRO 16 2.457 -1.117 8.605
120 HD2 PRO 16 2HD PRO 16 0.954 -2.980 10.393
121 HD3 PRO 16 3HD PRO 16 0.391 -1.875 9.121
122 H ASN 17 H ASN 17 4.094 -4.787 6.181
123 HA ASN 17 HA ASN 17 4.324 -7.588 7.187
124 HB2 ASN 17 2HB ASN 17 3.888 -7.449 4.813
125 HB3 ASN 17 3HB ASN 17 5.144 -6.232 4.602
126 HD21 ASN 17 1HD2 ASN 17 5.648 -7.946 2.874
127 HD22 ASN 17 2HD2 ASN 17 6.860 -9.108 3.345
128 H GLY 18 H GLY 18 5.264 -6.776 9.146
129 HA2 GLY 18 2HA GLY 18 7.093 -6.502 10.530
130 HA3 GLY 18 3HA GLY 18 8.040 -7.131 9.183
131 H ALA 19 H ALA 19 9.472 -5.833 8.209
132 HA ALA 19 HA ALA 19 9.863 -3.098 9.190
133 HB1 ALA 19 1HB ALA 19 11.950 -3.229 7.923
134 HB2 ALA 19 2HB ALA 19 11.739 -4.672 8.928
135 HB3 ALA 19 3HB ALA 19 11.422 -4.754 7.178
136 H LYS 20 H LYS 20 8.050 -4.399 6.544
137 HA LYS 20 HA LYS 20 8.252 -1.802 5.074
138 HB2 LYS 20 2HB LYS 20 7.185 -4.367 3.878
139 HB3 LYS 20 3HB LYS 20 7.625 -2.863 3.081
140 HG2 LYS 20 2HG LYS 20 9.556 -3.895 2.573
141 HG3 LYS 20 3HG LYS 20 10.036 -3.514 4.229
142 HD2 LYS 20 2HD LYS 20 8.844 -5.786 4.803
143 HD3 LYS 20 3HD LYS 20 8.967 -6.129 3.084
144 HE2 LYS 20 2HE LYS 20 11.319 -5.430 4.913
145 HE3 LYS 20 3HE LYS 20 10.846 -7.066 4.468
146 HZ1 LYS 20 1HZ LYS 20 11.819 -4.972 2.588
147 HZ2 LYS 20 2HZ LYS 20 12.603 -6.347 3.049
148 HZ3 LYS 20 3HZ LYS 20 11.285 -6.479 2.130
149 H ARG 21 H ARG 21 6.592 -0.574 4.835
150 HA ARG 21 HA ARG 21 3.816 -1.588 4.923
151 HB2 ARG 21 2HB ARG 21 3.035 -0.112 6.497
152 HB3 ARG 21 3HB ARG 21 4.625 -0.420 7.177
153 HG2 ARG 21 2HG ARG 21 5.434 1.708 6.029
154 HG3 ARG 21 3HG ARG 21 3.769 1.970 5.512
155 HD2 ARG 21 2HD ARG 21 3.118 1.904 7.986
156 HD3 ARG 21 3HD ARG 21 4.845 2.013 8.345
157 HE ARG 21 HE ARG 21 3.185 4.016 6.835
158 HH11 ARG 21 1HH1 ARG 21 6.156 3.523 8.819
159 HH12 ARG 21 2HH1 ARG 21 6.435 5.252 8.752
160 HH21 ARG 21 1HH2 ARG 21 3.910 6.201 6.803
161 HH22 ARG 21 2HH2 ARG 21 5.318 6.555 7.770
162 H CYS 22 H CYS 22 2.335 0.168 3.864
163 HA CYS 22 HA CYS 22 3.138 0.895 1.362
164 HB2 CYS 22 2HB CYS 22 1.006 1.991 3.265
165 HB3 CYS 22 3HB CYS 22 1.071 2.377 1.540
166 H GLY 23 H GLY 23 3.205 3.237 4.129
167 HA2 GLY 23 2HA GLY 23 4.455 5.384 2.831
168 HA3 GLY 23 3HA GLY 23 4.600 4.994 4.539
169 H THR 24 H THR 24 6.090 2.362 3.838
170 HA THR 24 HA THR 24 8.757 3.634 3.387
171 HB THR 24 HB THR 24 9.652 1.661 4.619
172 HG1 THR 24 HG1 THR 24 7.762 0.848 6.025
173 HG21 THR 24 1HG2 THR 24 9.003 2.493 6.824
174 HG22 THR 24 2HG2 THR 24 9.214 3.853 5.723
175 HG23 THR 24 3HG2 THR 24 7.578 3.308 6.145
176 H CYS 25 H CYS 25 6.652 1.188 2.098
177 HA CYS 25 HA CYS 25 8.235 0.481 -0.242
178 HB2 CYS 25 2HB CYS 25 6.084 -0.586 0.148
179 HB3 CYS 25 3HB CYS 25 5.288 0.942 0.440
180 H ARG 26 H ARG 26 6.477 3.331 0.824
181 HA ARG 26 HA ARG 26 6.493 5.513 0.268
182 HB2 ARG 26 2HB ARG 26 8.693 5.172 -1.735
183 HB3 ARG 26 3HB ARG 26 8.290 6.574 -0.755
184 HG2 ARG 26 2HG ARG 26 9.158 5.301 1.253
185 HG3 ARG 26 3HG ARG 26 9.607 3.980 0.165
186 HD2 ARG 26 2HD ARG 26 11.592 5.197 0.383
187 HD3 ARG 26 3HD ARG 26 10.966 5.555 -1.207
188 HE ARG 26 HE ARG 26 10.220 7.740 -0.491
189 HH11 ARG 26 1HH1 ARG 26 12.337 6.292 1.976
190 HH12 ARG 26 2HH1 ARG 26 12.601 7.875 2.679
191 HH21 ARG 26 1HH2 ARG 26 10.641 9.559 0.462
192 HH22 ARG 26 2HH2 ARG 26 11.774 9.636 1.835
193 H GLN 27 H GLN 27 5.642 3.141 -1.910
194 HA GLN 27 HA GLN 27 4.759 4.924 -4.047
195 HB2 GLN 27 2HB GLN 27 3.854 2.108 -3.361
196 HB3 GLN 27 3HB GLN 27 3.431 3.000 -4.826
197 HG2 GLN 27 2HG GLN 27 5.884 3.197 -5.370
198 HG3 GLN 27 3HG GLN 27 6.230 2.171 -3.978
199 HE21 GLN 27 1HE2 GLN 27 4.112 0.180 -4.372
200 HE22 GLN 27 2HE2 GLN 27 4.712 -0.744 -5.749
201 H PHE 28 H PHE 28 3.551 4.135 -0.822
202 HA PHE 28 HA PHE 28 0.913 5.077 -1.041
203 HB2 PHE 28 2HB PHE 28 1.781 4.283 1.068
204 HB3 PHE 28 3HB PHE 28 2.985 5.567 1.121
205 HD1 PHE 28 HD1 PHE 28 -0.762 5.191 0.760
206 HD2 PHE 28 HD2 PHE 28 2.501 7.408 2.509
207 HE1 PHE 28 HE1 PHE 28 -2.382 6.671 1.908
208 HE2 PHE 28 HE2 PHE 28 0.871 8.868 3.679
209 HZ PHE 28 HZ PHE 28 -1.567 8.514 3.374
210 H ARG 29 H ARG 29 -0.010 6.940 -1.419
211 HA ARG 29 HA ARG 29 1.684 9.280 -2.173
212 HB2 ARG 29 2HB ARG 29 1.126 7.721 -4.006
213 HB3 ARG 29 3HB ARG 29 -0.581 7.896 -3.672
214 HG2 ARG 29 2HG ARG 29 0.115 9.190 -5.621
215 HG3 ARG 29 3HG ARG 29 -0.517 10.231 -4.338
216 HD2 ARG 29 2HD ARG 29 1.725 10.855 -3.661
217 HD3 ARG 29 3HD ARG 29 2.455 9.662 -4.732
218 HE ARG 29 HE ARG 29 1.029 11.246 -6.484
219 HH11 ARG 29 1HH1 ARG 29 3.332 12.165 -3.983
220 HH12 ARG 29 2HH1 ARG 29 3.629 13.698 -4.783
221 HH21 ARG 29 1HH2 ARG 29 1.981 12.869 -7.641
222 HH22 ARG 29 2HH2 ARG 29 3.119 13.948 -6.870
223 HA PRO 30 HA PRO 30 -1.199 10.412 1.052
224 HB2 PRO 30 2HB PRO 30 0.252 13.060 0.843
225 HB3 PRO 30 3HB PRO 30 -0.265 12.181 2.316
226 HG2 PRO 30 2HG PRO 30 2.301 11.988 1.511
227 HG3 PRO 30 3HG PRO 30 1.427 10.505 1.995
228 HD2 PRO 30 2HD PRO 30 1.939 11.543 -0.804
229 HD3 PRO 30 3HD PRO 30 2.122 9.887 -0.154
230 HA PRO 31 HA PRO 31 -2.554 11.651 2.408
231 HB2 PRO 31 2HB PRO 31 -5.128 12.105 3.012
232 HB3 PRO 31 3HB PRO 31 -4.010 13.458 2.659
233 HG2 PRO 31 2HG PRO 31 -5.964 12.123 0.752
234 HG3 PRO 31 3HG PRO 31 -5.774 13.872 1.087
235 HD2 PRO 31 2HD PRO 31 -4.532 12.638 -1.035
236 HD3 PRO 31 3HD PRO 31 -3.783 13.993 -0.150
237 H SER 32 H SER 32 -4.459 10.209 -0.197
238 HA SER 32 HA SER 32 -4.835 7.713 1.381
239 HB2 SER 32 2HB SER 32 -7.235 7.688 0.922
240 HB3 SER 32 3HB SER 32 -6.787 9.127 1.844
241 HG SER 32 HG SER 32 -8.231 9.472 0.010
242 H SER 33 H SER 33 -3.248 8.412 -1.143
243 HA SER 33 HA SER 33 -4.516 6.441 -3.014
244 HB2 SER 33 2HB SER 33 -2.627 8.701 -3.688
245 HB3 SER 33 3HB SER 33 -3.431 7.630 -4.819
246 HG SER 33 HG SER 33 -4.526 9.530 -4.762
247 H CYS 34 H CYS 34 -2.838 5.456 -4.528
248 HA CYS 34 HA CYS 34 -0.127 5.167 -3.380
249 HB2 CYS 34 2HB CYS 34 -1.215 3.292 -2.392
250 HB3 CYS 34 3HB CYS 34 -2.044 2.878 -3.882
251 H ILE 35 H ILE 35 1.443 4.707 -4.890
252 HA ILE 35 HA ILE 35 0.861 5.449 -7.674
253 HB ILE 35 HB ILE 35 3.327 5.108 -5.991
254 HG12 ILE 35 2HG1 ILE 35 2.424 7.344 -7.860
255 HG13 ILE 35 3HG1 ILE 35 1.871 7.221 -6.195
256 HG21 ILE 35 1HG2 ILE 35 3.424 5.352 -9.024
257 HG22 ILE 35 2HG2 ILE 35 4.799 5.559 -7.924
258 HG23 ILE 35 3HG2 ILE 35 4.036 3.990 -8.049
259 HD11 ILE 35 1HD1 ILE 35 3.717 8.811 -6.389
260 HD12 ILE 35 2HD1 ILE 35 4.151 7.439 -5.351
261 HD13 ILE 35 3HD1 ILE 35 4.787 7.558 -7.012
262 H THR 36 H THR 36 0.859 2.490 -6.000
263 HA THR 36 HA THR 36 0.702 1.126 -8.685
264 HB THR 36 HB THR 36 1.308 -0.139 -6.004
265 HG1 THR 36 HG1 THR 36 3.225 0.268 -6.614
266 HG21 THR 36 1HG2 THR 36 1.666 -2.190 -7.337
267 HG22 THR 36 2HG2 THR 36 -0.024 -1.688 -7.375
268 HG23 THR 36 3HG2 THR 36 1.021 -1.372 -8.781
269 H VAL 37 H VAL 37 -0.868 1.511 -5.476
270 HA VAL 37 HA VAL 37 -3.057 -0.173 -6.447
271 HB VAL 37 HB VAL 37 -2.332 0.636 -3.622
272 HG11 VAL 37 1HG1 VAL 37 -4.165 -1.548 -4.683
273 HG12 VAL 37 2HG1 VAL 37 -3.631 -1.388 -2.989
274 HG13 VAL 37 3HG1 VAL 37 -4.654 -0.146 -3.689
275 HG21 VAL 37 1HG2 VAL 37 -0.503 -0.639 -4.508
276 HG22 VAL 37 2HG2 VAL 37 -1.462 -1.772 -3.578
277 HG23 VAL 37 3HG2 VAL 37 -1.602 -1.757 -5.350
278 H GLU 38 H GLU 38 -5.230 0.165 -6.080
279 HA GLU 38 HA GLU 38 -6.544 2.549 -6.619
280 HB2 GLU 38 2HB GLU 38 -7.313 0.135 -4.957
281 HB3 GLU 38 3HB GLU 38 -8.453 1.452 -5.193
282 HG2 GLU 38 2HG GLU 38 -7.172 0.061 -7.560
283 HG3 GLU 38 3HG GLU 38 -8.588 -0.544 -6.699
284 H SER 39 H SER 39 -7.747 3.960 -5.529
285 HA SER 39 HA SER 39 -7.024 4.592 -2.704
286 HB2 SER 39 2HB SER 39 -7.865 6.893 -3.140
287 HB3 SER 39 3HB SER 39 -6.427 6.470 -4.076
288 HG SER 39 HG SER 39 -8.532 7.504 -5.067
289 HA PRO 40 HA PRO 40 -8.135 5.950 -1.063
290 HB2 PRO 40 2HB PRO 40 -9.460 5.538 1.265
291 HB3 PRO 40 3HB PRO 40 -10.000 6.699 0.016
292 HG2 PRO 40 2HG PRO 40 -10.998 3.879 0.474
293 HG3 PRO 40 3HG PRO 40 -11.957 5.356 0.224
294 HD2 PRO 40 2HD PRO 40 -11.363 3.584 -1.794
295 HD3 PRO 40 3HD PRO 40 -11.538 5.338 -2.084
296 H ILE 41 H ILE 41 -6.427 5.326 0.225
297 HA ILE 41 HA ILE 41 -6.263 2.567 1.325
298 HB ILE 41 HB ILE 41 -5.187 2.904 -1.001
299 HG12 ILE 41 2HG1 ILE 41 -3.408 1.723 1.170
300 HG13 ILE 41 3HG1 ILE 41 -4.809 0.922 0.449
301 HG21 ILE 41 1HG2 ILE 41 -3.017 3.867 -1.150
302 HG22 ILE 41 2HG2 ILE 41 -4.031 5.066 -0.357
303 HG23 ILE 41 3HG2 ILE 41 -2.897 4.100 0.602
304 HD11 ILE 41 1HD1 ILE 41 -2.235 1.660 -0.938
305 HD12 ILE 41 2HD1 ILE 41 -2.956 0.061 -0.680
306 HD13 ILE 41 3HD1 ILE 41 -3.722 1.195 -1.806
307 H SER 42 H SER 42 -4.347 2.339 2.803
308 HA SER 42 HA SER 42 -4.142 4.676 4.635
309 HB2 SER 42 2HB SER 42 -4.841 2.372 5.451
310 HB3 SER 42 3HB SER 42 -3.246 1.826 5.027
311 HG SER 42 HG SER 42 -3.658 2.577 7.280
312 H GLU 43 H GLU 43 -2.083 5.128 5.617
313 HA GLU 43 HA GLU 43 0.297 4.940 3.899
314 HB2 GLU 43 2HB GLU 43 1.386 6.123 5.734
315 HB3 GLU 43 3HB GLU 43 -0.173 6.907 5.452
316 HG2 GLU 43 2HG GLU 43 -1.176 5.611 7.334
317 HG3 GLU 43 3HG GLU 43 0.412 4.929 7.659
318 H ASN 44 H ASN 44 -1.224 2.777 6.024
319 HA ASN 44 HA ASN 44 1.297 1.217 6.211
320 HB2 ASN 44 2HB ASN 44 0.906 0.571 8.390
321 HB3 ASN 44 3HB ASN 44 0.267 2.204 8.419
322 HD21 ASN 44 1HD2 ASN 44 -1.580 2.457 9.409
323 HD22 ASN 44 2HD2 ASN 44 -2.728 1.140 9.635
324 H GLY 45 H GLY 45 1.071 -1.123 6.173
325 HA2 GLY 45 2HA GLY 45 -0.871 -2.811 5.621
326 HA3 GLY 45 3HA GLY 45 -0.948 -1.902 4.131
327 H TRP 46 H TRP 46 1.153 -1.639 2.979
328 HA TRP 46 HA TRP 46 2.813 -2.573 1.770
329 HB2 TRP 46 2HB TRP 46 3.984 -3.458 3.751
330 HB3 TRP 46 3HB TRP 46 2.971 -4.881 3.698
331 HD1 TRP 46 HD1 TRP 46 5.728 -3.226 1.633
332 HE1 TRP 46 HE1 TRP 46 6.831 -5.023 0.189
333 HE3 TRP 46 HE3 TRP 46 2.549 -7.123 2.603
334 HZ2 TRP 46 HZ2 TRP 46 6.539 -7.861 -0.297
335 HZ3 TRP 46 HZ3 TRP 46 2.981 -9.366 1.613
336 HH2 TRP 46 HH2 TRP 46 4.969 -9.747 0.177
337 H CYS 47 H CYS 47 2.734 -3.833 -0.061
338 HA CYS 47 HA CYS 47 0.833 -6.072 -0.207
339 HB2 CYS 47 2HB CYS 47 -0.246 -5.259 -2.164
340 HB3 CYS 47 3HB CYS 47 -0.145 -3.828 -1.115
341 H ARG 48 H ARG 48 1.239 -7.300 -2.347
342 HA ARG 48 HA ARG 48 4.059 -7.940 -2.169
343 HB2 ARG 48 2HB ARG 48 1.956 -9.217 -3.987
344 HB3 ARG 48 3HB ARG 48 3.523 -9.905 -3.566
345 HG2 ARG 48 2HG ARG 48 2.783 -10.137 -1.193
346 HG3 ARG 48 3HG ARG 48 1.215 -9.435 -1.623
347 HD2 ARG 48 2HD ARG 48 0.906 -11.796 -1.586
348 HD3 ARG 48 3HD ARG 48 0.879 -11.289 -3.282
349 HE ARG 48 HE ARG 48 3.544 -12.057 -2.459
350 HH11 ARG 48 1HH1 ARG 48 0.473 -13.651 -3.335
351 HH12 ARG 48 2HH1 ARG 48 1.361 -15.143 -3.658
352 HH21 ARG 48 1HH2 ARG 48 4.455 -14.008 -3.134
353 HH22 ARG 48 2HH2 ARG 48 3.362 -15.296 -3.625
354 H LEU 49 H LEU 49 2.575 -5.692 -4.000
355 HA LEU 49 HA LEU 49 4.597 -5.854 -6.175
356 HB2 LEU 49 2HB LEU 49 1.892 -6.037 -6.520
357 HB3 LEU 49 3HB LEU 49 2.083 -4.296 -6.587
358 HG LEU 49 HG LEU 49 3.910 -4.724 -8.375
359 HD11 LEU 49 1HD1 LEU 49 2.636 -7.497 -8.364
360 HD12 LEU 49 2HD1 LEU 49 3.822 -6.880 -9.535
361 HD13 LEU 49 3HD1 LEU 49 4.301 -7.135 -7.859
362 HD21 LEU 49 1HD2 LEU 49 1.634 -3.985 -8.988
363 HD22 LEU 49 2HD2 LEU 49 2.260 -5.141 -10.171
364 HD23 LEU 49 3HD2 LEU 49 1.068 -5.667 -8.961
365 H TYR 50 H TYR 50 4.648 -4.581 -3.443
366 HA TYR 50 HA TYR 50 4.896 -1.817 -3.598
367 HB2 TYR 50 2HB TYR 50 5.813 -1.944 -1.547
368 HB3 TYR 50 3HB TYR 50 4.973 -3.445 -1.598
369 HD1 TYR 50 HD1 TYR 50 6.520 -5.542 -2.425
370 HD2 TYR 50 HD2 TYR 50 7.974 -1.842 -0.752
371 HE1 TYR 50 HE1 TYR 50 8.621 -6.681 -1.689
372 HE2 TYR 50 HE2 TYR 50 10.054 -2.979 -0.023
373 HH TYR 50 HH TYR 50 11.254 -4.888 -0.032
374 H ALA 51 H ALA 51 7.048 -0.600 -3.243
375 HA ALA 51 HA ALA 51 8.573 -0.616 -5.632
376 HB1 ALA 51 1HB ALA 51 9.193 0.611 -2.922
377 HB2 ALA 51 2HB ALA 51 9.939 1.066 -4.465
378 HB3 ALA 51 3HB ALA 51 8.223 1.348 -4.214
379 H GLY 52 H GLY 52 10.978 -0.699 -5.809
380 HA2 GLY 52 2HA GLY 52 12.404 -2.913 -4.726
381 HA3 GLY 52 3HA GLY 52 13.096 -1.466 -5.456
382 H LYS 53 H LYS 53 11.527 0.108 -3.313
383 HA LYS 53 HA LYS 53 13.531 0.779 -1.528
384 HB2 LYS 53 2HB LYS 53 10.543 1.120 -1.194
385 HB3 LYS 53 3HB LYS 53 11.771 1.987 -0.291
386 HG2 LYS 53 2HG LYS 53 11.580 2.094 -3.303
387 HG3 LYS 53 3HG LYS 53 10.744 3.234 -2.235
388 HD2 LYS 53 2HD LYS 53 12.976 3.919 -1.330
389 HD3 LYS 53 3HD LYS 53 13.738 2.804 -2.484
390 HE2 LYS 53 2HE LYS 53 12.643 4.024 -4.370
391 HE3 LYS 53 3HE LYS 53 11.931 5.162 -3.226
392 HZ1 LYS 53 1HZ LYS 53 14.002 6.024 -4.196
393 HZ2 LYS 53 2HZ LYS 53 14.160 5.818 -2.571
394 HZ3 LYS 53 3HZ LYS 53 14.836 4.736 -3.611
395 H ALA 54 H ALA 54 14.433 -0.987 -0.568
396 HA ALA 54 HA ALA 54 14.804 -2.735 0.869
397 HB1 ALA 54 1HB ALA 54 13.521 -0.647 2.666
398 HB2 ALA 54 2HB ALA 54 14.700 -1.877 3.156
399 HB3 ALA 54 3HB ALA 54 15.177 -0.602 2.036
Start of MODEL 11
1 H1 VAL 1 1H VAL 1 -10.994 9.342 -17.355
2 H2 VAL 1 2H VAL 1 -11.343 8.616 -15.934
3 H3 VAL 1 3H VAL 1 -11.269 7.727 -17.311
4 HA VAL 1 HA VAL 1 -8.891 8.483 -17.519
5 HB VAL 1 HB VAL 1 -9.210 10.258 -15.762
6 HG11 VAL 1 1HG1 VAL 1 -10.316 8.839 -14.010
7 HG12 VAL 1 2HG1 VAL 1 -8.767 8.017 -13.750
8 HG13 VAL 1 3HG1 VAL 1 -8.917 9.752 -13.429
9 HG21 VAL 1 1HG2 VAL 1 -6.835 8.423 -15.264
10 HG22 VAL 1 2HG2 VAL 1 -6.977 9.589 -16.604
11 HG23 VAL 1 3HG2 VAL 1 -6.957 10.153 -14.930
12 H THR 2 H THR 2 -7.336 6.957 -17.212
13 HA THR 2 HA THR 2 -8.019 4.285 -16.885
14 HB THR 2 HB THR 2 -5.229 5.360 -16.350
15 HG1 THR 2 HG1 THR 2 -4.986 5.331 -18.632
16 HG21 THR 2 1HG2 THR 2 -6.254 2.915 -17.863
17 HG22 THR 2 2HG2 THR 2 -4.549 3.380 -17.681
18 HG23 THR 2 3HG2 THR 2 -5.479 2.903 -16.260
19 H LYS 3 H LYS 3 -7.928 2.769 -15.243
20 HA LYS 3 HA LYS 3 -7.711 3.795 -12.459
21 HB2 LYS 3 2HB LYS 3 -9.715 2.529 -13.405
22 HB3 LYS 3 3HB LYS 3 -8.691 1.087 -13.414
23 HG2 LYS 3 2HG LYS 3 -8.390 1.313 -10.935
24 HG3 LYS 3 3HG LYS 3 -9.395 2.782 -10.970
25 HD2 LYS 3 2HD LYS 3 -11.229 1.390 -12.014
26 HD3 LYS 3 3HD LYS 3 -10.239 -0.051 -11.728
27 HE2 LYS 3 2HE LYS 3 -10.274 0.414 -9.292
28 HE3 LYS 3 3HE LYS 3 -11.192 1.901 -9.583
29 HZ1 LYS 3 1HZ LYS 3 -12.089 -0.869 -10.109
30 HZ2 LYS 3 2HZ LYS 3 -12.702 0.190 -8.997
31 HZ3 LYS 3 3HZ LYS 3 -12.929 0.473 -10.607
32 H LYS 4 H LYS 4 -6.374 2.935 -10.911
33 HA LYS 4 HA LYS 4 -3.866 1.722 -11.619
34 HB2 LYS 4 2HB LYS 4 -5.300 2.094 -8.977
35 HB3 LYS 4 3HB LYS 4 -3.668 1.438 -9.048
36 HG2 LYS 4 2HG LYS 4 -4.377 3.976 -10.362
37 HG3 LYS 4 3HG LYS 4 -3.953 3.952 -8.642
38 HD2 LYS 4 2HD LYS 4 -1.689 3.097 -9.328
39 HD3 LYS 4 3HD LYS 4 -2.189 3.246 -11.042
40 HE2 LYS 4 2HE LYS 4 -2.897 5.637 -10.455
41 HE3 LYS 4 3HE LYS 4 -2.031 5.438 -8.929
42 HZ1 LYS 4 1HZ LYS 4 -0.896 5.534 -11.670
43 HZ2 LYS 4 2HZ LYS 4 -0.551 6.497 -10.412
44 HZ3 LYS 4 3HZ LYS 4 -0.030 4.925 -10.403
45 H ALA 5 H ALA 5 -3.243 -0.043 -10.051
46 HA ALA 5 HA ALA 5 -4.602 -2.637 -10.668
47 HB1 ALA 5 1HB ALA 5 -2.097 -2.514 -10.457
48 HB2 ALA 5 2HB ALA 5 -2.301 -2.095 -8.742
49 HB3 ALA 5 3HB ALA 5 -2.853 -3.671 -9.338
50 H SER 6 H SER 6 -5.883 -3.859 -9.051
51 HA SER 6 HA SER 6 -6.981 -2.061 -6.995
52 HB2 SER 6 2HB SER 6 -8.617 -3.612 -6.484
53 HB3 SER 6 3HB SER 6 -8.471 -3.576 -8.238
54 HG SER 6 HG SER 6 -8.640 -5.683 -7.513
55 H HIS 7 H HIS 7 -6.937 -2.380 -4.785
56 HA HIS 7 HA HIS 7 -4.463 -3.286 -3.587
57 HB2 HIS 7 2HB HIS 7 -6.142 -3.184 -1.469
58 HB3 HIS 7 3HB HIS 7 -5.409 -1.771 -2.200
59 HD2 HIS 7 HD2 HIS 7 -6.952 -0.026 -3.480
60 HE1 HIS 7 HE1 HIS 7 -10.705 -1.928 -2.791
61 HE2 HIS 7 HE2 HIS 7 -9.572 0.170 -3.689
62 H LYS 8 H LYS 8 -7.403 -4.820 -4.297
63 HA LYS 8 HA LYS 8 -7.137 -7.297 -2.838
64 HB2 LYS 8 2HB LYS 8 -8.577 -6.962 -5.502
65 HB3 LYS 8 3HB LYS 8 -8.890 -8.115 -4.239
66 HG2 LYS 8 2HG LYS 8 -9.487 -5.123 -4.245
67 HG3 LYS 8 3HG LYS 8 -10.611 -6.473 -4.310
68 HD2 LYS 8 2HD LYS 8 -9.608 -7.114 -1.969
69 HD3 LYS 8 3HD LYS 8 -8.997 -5.466 -1.933
70 HE2 LYS 8 2HE LYS 8 -11.091 -4.502 -1.754
71 HE3 LYS 8 3HE LYS 8 -11.858 -5.745 -2.754
72 HZ1 LYS 8 1HZ LYS 8 -11.101 -6.113 0.084
73 HZ2 LYS 8 2HZ LYS 8 -12.624 -5.973 -0.521
74 HZ3 LYS 8 3HZ LYS 8 -11.726 -7.279 -0.912
75 H ASP 9 H ASP 9 -6.678 -6.702 -6.331
76 HA ASP 9 HA ASP 9 -5.310 -9.114 -6.925
77 HB2 ASP 9 2HB ASP 9 -5.649 -6.389 -8.219
78 HB3 ASP 9 3HB ASP 9 -4.569 -7.530 -8.913
79 H ALA 10 H ALA 10 -4.003 -6.030 -5.731
80 HA ALA 10 HA ALA 10 -1.231 -6.855 -6.076
81 HB1 ALA 10 1HB ALA 10 -0.768 -4.749 -4.871
82 HB2 ALA 10 2HB ALA 10 -1.948 -4.499 -6.173
83 HB3 ALA 10 3HB ALA 10 -2.492 -4.583 -4.481
84 H GLY 11 H GLY 11 -3.577 -7.837 -3.803
85 HA2 GLY 11 2HA GLY 11 -3.401 -9.117 -1.901
86 HA3 GLY 11 3HA GLY 11 -1.657 -9.245 -2.173
87 H TYR 12 H TYR 12 -3.301 -6.120 -1.764
88 HA TYR 12 HA TYR 12 -1.551 -5.322 0.377
89 HB2 TYR 12 2HB TYR 12 -2.230 -3.583 -1.010
90 HB3 TYR 12 3HB TYR 12 -3.870 -4.056 -1.034
91 HD1 TYR 12 HD1 TYR 12 -5.402 -3.658 0.911
92 HD2 TYR 12 HD2 TYR 12 -1.457 -1.932 0.575
93 HE1 TYR 12 HE1 TYR 12 -6.080 -1.802 2.425
94 HE2 TYR 12 HE2 TYR 12 -2.154 -0.075 2.060
95 HH TYR 12 HH TYR 12 -5.449 0.103 3.463
96 H GLN 13 H GLN 13 -1.698 -5.492 2.439
97 HA GLN 13 HA GLN 13 -3.984 -6.965 3.657
98 HB2 GLN 13 2HB GLN 13 -2.206 -7.465 5.458
99 HB3 GLN 13 3HB GLN 13 -2.212 -8.341 3.941
100 HG2 GLN 13 2HG GLN 13 -0.334 -6.968 3.093
101 HG3 GLN 13 3HG GLN 13 -0.315 -6.061 4.619
102 HE21 GLN 13 1HE2 GLN 13 1.636 -6.562 5.344
103 HE22 GLN 13 2HE2 GLN 13 1.979 -8.173 5.907
104 H GLU 14 H GLU 14 -4.438 -6.502 5.982
105 HA GLU 14 HA GLU 14 -4.864 -3.613 6.228
106 HB2 GLU 14 2HB GLU 14 -6.222 -4.108 8.097
107 HB3 GLU 14 3HB GLU 14 -6.574 -5.318 6.868
108 HG2 GLU 14 2HG GLU 14 -5.331 -6.994 8.035
109 HG3 GLU 14 3HG GLU 14 -4.578 -5.823 9.085
110 H SER 15 H SER 15 -2.230 -5.547 7.103
111 HA SER 15 HA SER 15 -1.199 -3.437 8.852
112 HB2 SER 15 2HB SER 15 -0.326 -5.895 10.056
113 HB3 SER 15 3HB SER 15 -1.142 -4.516 10.775
114 HG SER 15 HG SER 15 -2.409 -6.716 9.477
115 HA PRO 16 HA PRO 16 2.515 -3.791 6.621
116 HB2 PRO 16 2HB PRO 16 3.929 -3.734 9.302
117 HB3 PRO 16 3HB PRO 16 4.294 -2.783 7.838
118 HG2 PRO 16 2HG PRO 16 2.898 -1.619 9.809
119 HG3 PRO 16 3HG PRO 16 2.279 -1.460 8.131
120 HD2 PRO 16 2HD PRO 16 1.390 -3.421 10.260
121 HD3 PRO 16 3HD PRO 16 0.420 -2.353 9.206
122 H ASN 17 H ASN 17 4.524 -4.971 6.169
123 HA ASN 17 HA ASN 17 4.576 -7.785 7.225
124 HB2 ASN 17 2HB ASN 17 4.160 -7.708 4.855
125 HB3 ASN 17 3HB ASN 17 5.485 -6.601 4.589
126 HD21 ASN 17 1HD2 ASN 17 5.586 -8.728 3.027
127 HD22 ASN 17 2HD2 ASN 17 6.722 -9.940 3.645
128 H GLY 18 H GLY 18 5.764 -7.574 9.053
129 HA2 GLY 18 2HA GLY 18 7.504 -7.085 10.471
130 HA3 GLY 18 3HA GLY 18 8.562 -7.311 9.075
131 H ALA 19 H ALA 19 9.666 -5.568 8.380
132 HA ALA 19 HA ALA 19 9.125 -2.911 9.523
133 HB1 ALA 19 1HB ALA 19 11.347 -3.892 7.683
134 HB2 ALA 19 2HB ALA 19 11.307 -2.347 8.557
135 HB3 ALA 19 3HB ALA 19 11.413 -3.867 9.463
136 H LYS 20 H LYS 20 8.262 -4.501 6.512
137 HA LYS 20 HA LYS 20 8.375 -2.012 4.936
138 HB2 LYS 20 2HB LYS 20 7.379 -4.763 4.173
139 HB3 LYS 20 3HB LYS 20 7.695 -3.431 3.082
140 HG2 LYS 20 2HG LYS 20 9.886 -3.932 2.901
141 HG3 LYS 20 3HG LYS 20 10.111 -3.942 4.649
142 HD2 LYS 20 2HD LYS 20 8.986 -6.218 4.666
143 HD3 LYS 20 3HD LYS 20 9.060 -6.203 2.924
144 HE2 LYS 20 2HE LYS 20 11.532 -5.921 2.995
145 HE3 LYS 20 3HE LYS 20 11.495 -5.931 4.765
146 HZ1 LYS 20 1HZ LYS 20 12.042 -8.126 3.744
147 HZ2 LYS 20 2HZ LYS 20 10.699 -8.192 4.702
148 HZ3 LYS 20 3HZ LYS 20 10.531 -8.193 3.095
149 H ARG 21 H ARG 21 6.778 -0.754 4.489
150 HA ARG 21 HA ARG 21 3.916 -1.382 4.960
151 HB2 ARG 21 2HB ARG 21 4.067 -0.662 7.024
152 HB3 ARG 21 3HB ARG 21 5.683 -0.013 6.863
153 HG2 ARG 21 2HG ARG 21 4.815 2.139 6.118
154 HG3 ARG 21 3HG ARG 21 3.168 1.485 6.071
155 HD2 ARG 21 2HD ARG 21 3.515 0.882 8.565
156 HD3 ARG 21 3HD ARG 21 4.983 1.867 8.496
157 HE ARG 21 HE ARG 21 2.771 3.420 7.542
158 HH11 ARG 21 1HH1 ARG 21 3.898 1.987 10.576
159 HH12 ARG 21 2HH1 ARG 21 2.894 3.046 11.541
160 HH21 ARG 21 1HH2 ARG 21 1.869 5.031 8.987
161 HH22 ARG 21 2HH2 ARG 21 1.914 4.714 10.690
162 H CYS 22 H CYS 22 2.487 0.147 3.996
163 HA CYS 22 HA CYS 22 3.189 1.133 1.494
164 HB2 CYS 22 2HB CYS 22 1.010 1.876 3.495
165 HB3 CYS 22 3HB CYS 22 1.074 2.573 1.870
166 H GLY 23 H GLY 23 2.860 3.126 4.452
167 HA2 GLY 23 2HA GLY 23 3.771 5.568 3.460
168 HA3 GLY 23 3HA GLY 23 3.801 4.997 5.125
169 H THR 24 H THR 24 5.818 2.826 3.850
170 HA THR 24 HA THR 24 8.240 4.549 3.601
171 HB THR 24 HB THR 24 8.272 3.386 5.727
172 HG1 THR 24 HG1 THR 24 10.307 2.730 5.554
173 HG21 THR 24 1HG2 THR 24 8.801 0.944 5.716
174 HG22 THR 24 2HG2 THR 24 7.136 1.349 5.287
175 HG23 THR 24 3HG2 THR 24 8.299 0.888 4.013
176 H CYS 25 H CYS 25 6.275 2.173 2.094
177 HA CYS 25 HA CYS 25 7.957 1.034 0.097
178 HB2 CYS 25 2HB CYS 25 5.549 0.441 0.633
179 HB3 CYS 25 3HB CYS 25 5.042 1.986 -0.020
180 H ARG 26 H ARG 26 6.567 4.217 0.415
181 HA ARG 26 HA ARG 26 6.671 6.148 -0.749
182 HB2 ARG 26 2HB ARG 26 8.932 5.327 -2.514
183 HB3 ARG 26 3HB ARG 26 8.560 6.873 -1.767
184 HG2 ARG 26 2HG ARG 26 9.117 5.745 0.488
185 HG3 ARG 26 3HG ARG 26 9.707 4.379 -0.447
186 HD2 ARG 26 2HD ARG 26 11.618 5.634 0.068
187 HD3 ARG 26 3HD ARG 26 11.307 5.822 -1.648
188 HE ARG 26 HE ARG 26 10.798 8.074 -1.399
189 HH11 ARG 26 1HH1 ARG 26 11.230 6.748 1.859
190 HH12 ARG 26 2HH1 ARG 26 11.233 8.385 2.512
191 HH21 ARG 26 1HH2 ARG 26 10.877 9.986 -0.443
192 HH22 ARG 26 2HH2 ARG 26 11.113 10.112 1.302
193 H GLN 27 H GLN 27 5.825 3.278 -2.299
194 HA GLN 27 HA GLN 27 4.623 4.635 -4.602
195 HB2 GLN 27 2HB GLN 27 3.786 2.089 -3.179
196 HB3 GLN 27 3HB GLN 27 3.191 2.655 -4.740
197 HG2 GLN 27 2HG GLN 27 6.031 1.748 -4.115
198 HG3 GLN 27 3HG GLN 27 4.824 0.866 -5.038
199 HE21 GLN 27 1HE2 GLN 27 4.167 1.792 -7.180
200 HE22 GLN 27 2HE2 GLN 27 5.329 2.800 -8.030
201 H PHE 28 H PHE 28 3.834 4.277 -1.124
202 HA PHE 28 HA PHE 28 1.192 5.223 -1.271
203 HB2 PHE 28 2HB PHE 28 2.097 4.293 0.750
204 HB3 PHE 28 3HB PHE 28 3.240 5.635 0.922
205 HD1 PHE 28 HD1 PHE 28 -0.403 4.764 0.847
206 HD2 PHE 28 HD2 PHE 28 2.561 7.678 2.000
207 HE1 PHE 28 HE1 PHE 28 -2.154 6.093 2.010
208 HE2 PHE 28 HE2 PHE 28 0.811 8.992 3.158
209 HZ PHE 28 HZ PHE 28 -1.545 8.207 3.162
210 H ARG 29 H ARG 29 0.224 7.051 -1.418
211 HA ARG 29 HA ARG 29 1.734 9.509 -2.172
212 HB2 ARG 29 2HB ARG 29 1.269 8.041 -4.068
213 HB3 ARG 29 3HB ARG 29 -0.422 7.925 -3.630
214 HG2 ARG 29 2HG ARG 29 -0.208 9.403 -5.498
215 HG3 ARG 29 3HG ARG 29 -0.714 10.314 -4.072
216 HD2 ARG 29 2HD ARG 29 1.713 10.973 -3.739
217 HD3 ARG 29 3HD ARG 29 2.106 10.124 -5.230
218 HE ARG 29 HE ARG 29 0.025 12.248 -5.375
219 HH11 ARG 29 1HH1 ARG 29 3.284 11.266 -6.388
220 HH12 ARG 29 2HH1 ARG 29 3.434 12.729 -7.345
221 HH21 ARG 29 1HH2 ARG 29 0.515 14.129 -6.426
222 HH22 ARG 29 2HH2 ARG 29 1.924 14.180 -7.478
223 HA PRO 30 HA PRO 30 -1.286 10.272 1.123
224 HB2 PRO 30 2HB PRO 30 -0.381 12.740 2.018
225 HB3 PRO 30 3HB PRO 30 0.356 11.169 2.441
226 HG2 PRO 30 2HG PRO 30 1.170 13.087 0.234
227 HG3 PRO 30 3HG PRO 30 2.220 12.308 1.462
228 HD2 PRO 30 2HD PRO 30 2.002 11.283 -1.015
229 HD3 PRO 30 3HD PRO 30 2.025 10.181 0.395
230 HA PRO 31 HA PRO 31 -2.551 11.649 2.671
231 HB2 PRO 31 2HB PRO 31 -5.181 11.993 3.202
232 HB3 PRO 31 3HB PRO 31 -4.052 13.370 3.041
233 HG2 PRO 31 2HG PRO 31 -5.900 12.241 0.910
234 HG3 PRO 31 3HG PRO 31 -5.730 13.949 1.431
235 HD2 PRO 31 2HD PRO 31 -4.396 12.969 -0.739
236 HD3 PRO 31 3HD PRO 31 -3.647 14.171 0.347
237 H SER 32 H SER 32 -4.432 10.262 -0.035
238 HA SER 32 HA SER 32 -4.311 7.616 1.214
239 HB2 SER 32 2HB SER 32 -6.289 8.698 2.312
240 HB3 SER 32 3HB SER 32 -7.047 8.811 0.716
241 HG SER 32 HG SER 32 -6.141 6.424 1.993
242 H SER 33 H SER 33 -2.970 7.856 -0.883
243 HA SER 33 HA SER 33 -4.427 6.292 -2.908
244 HB2 SER 33 2HB SER 33 -2.632 8.623 -3.704
245 HB3 SER 33 3HB SER 33 -3.403 7.475 -4.795
246 HG SER 33 HG SER 33 -4.632 9.427 -3.160
247 H CYS 34 H CYS 34 -2.913 5.165 -4.353
248 HA CYS 34 HA CYS 34 -0.073 5.100 -3.458
249 HB2 CYS 34 2HB CYS 34 -1.083 3.118 -2.514
250 HB3 CYS 34 3HB CYS 34 -1.846 2.714 -4.046
251 H ILE 35 H ILE 35 1.403 4.494 -5.117
252 HA ILE 35 HA ILE 35 0.645 5.598 -7.751
253 HB ILE 35 HB ILE 35 3.292 4.780 -6.537
254 HG12 ILE 35 2HG1 ILE 35 2.333 6.882 -5.682
255 HG13 ILE 35 3HG1 ILE 35 3.808 7.143 -6.569
256 HG21 ILE 35 1HG2 ILE 35 2.796 5.829 -9.356
257 HG22 ILE 35 2HG2 ILE 35 4.378 5.784 -8.554
258 HG23 ILE 35 3HG2 ILE 35 3.531 4.285 -8.893
259 HD11 ILE 35 1HD1 ILE 35 0.977 7.717 -7.567
260 HD12 ILE 35 2HD1 ILE 35 2.192 8.897 -7.084
261 HD13 ILE 35 3HD1 ILE 35 2.457 7.937 -8.536
262 H THR 36 H THR 36 1.360 2.388 -6.408
263 HA THR 36 HA THR 36 0.978 1.265 -9.160
264 HB THR 36 HB THR 36 1.638 -0.279 -6.631
265 HG1 THR 36 HG1 THR 36 3.679 -0.446 -7.831
266 HG21 THR 36 1HG2 THR 36 1.568 -0.972 -9.615
267 HG22 THR 36 2HG2 THR 36 2.320 -1.989 -8.382
268 HG23 THR 36 3HG2 THR 36 0.579 -1.699 -8.326
269 H VAL 37 H VAL 37 -0.525 1.401 -5.948
270 HA VAL 37 HA VAL 37 -2.760 -0.304 -6.846
271 HB VAL 37 HB VAL 37 -1.793 0.521 -4.083
272 HG11 VAL 37 1HG1 VAL 37 -3.943 -1.446 -4.901
273 HG12 VAL 37 2HG1 VAL 37 -3.229 -1.319 -3.267
274 HG13 VAL 37 3HG1 VAL 37 -4.156 0.027 -3.910
275 HG21 VAL 37 1HG2 VAL 37 -0.204 -0.984 -5.165
276 HG22 VAL 37 2HG2 VAL 37 -1.094 -1.877 -3.952
277 HG23 VAL 37 3HG2 VAL 37 -1.522 -2.071 -5.669
278 H GLU 38 H GLU 38 -4.911 0.166 -6.439
279 HA GLU 38 HA GLU 38 -6.030 2.663 -6.958
280 HB2 GLU 38 2HB GLU 38 -6.909 0.019 -5.953
281 HB3 GLU 38 3HB GLU 38 -7.927 1.307 -5.387
282 HG2 GLU 38 2HG GLU 38 -7.253 0.922 -8.315
283 HG3 GLU 38 3HG GLU 38 -8.643 0.182 -7.528
284 H SER 39 H SER 39 -7.541 3.890 -5.726
285 HA SER 39 HA SER 39 -6.759 4.433 -2.903
286 HB2 SER 39 2HB SER 39 -7.621 6.773 -3.378
287 HB3 SER 39 3HB SER 39 -6.115 6.325 -4.197
288 HG SER 39 HG SER 39 -7.712 7.397 -5.528
289 HA PRO 40 HA PRO 40 -7.892 5.850 -1.184
290 HB2 PRO 40 2HB PRO 40 -9.144 5.239 1.144
291 HB3 PRO 40 3HB PRO 40 -9.800 6.428 -0.020
292 HG2 PRO 40 2HG PRO 40 -10.549 3.496 0.258
293 HG3 PRO 40 3HG PRO 40 -11.647 4.914 0.195
294 HD2 PRO 40 2HD PRO 40 -11.074 3.432 -2.023
295 HD3 PRO 40 3HD PRO 40 -11.289 5.204 -2.120
296 H ILE 41 H ILE 41 -6.318 5.275 0.268
297 HA ILE 41 HA ILE 41 -5.874 2.450 0.974
298 HB ILE 41 HB ILE 41 -4.730 3.283 -1.329
299 HG12 ILE 41 2HG1 ILE 41 -2.882 1.652 -0.983
300 HG13 ILE 41 3HG1 ILE 41 -3.362 1.503 0.706
301 HG21 ILE 41 1HG2 ILE 41 -2.574 3.922 0.716
302 HG22 ILE 41 2HG2 ILE 41 -2.451 3.989 -1.037
303 HG23 ILE 41 3HG2 ILE 41 -3.495 5.145 -0.189
304 HD11 ILE 41 1HD1 ILE 41 -5.155 0.875 -1.691
305 HD12 ILE 41 2HD1 ILE 41 -4.214 -0.322 -0.784
306 HD13 ILE 41 3HD1 ILE 41 -5.534 0.542 0.014
307 H SER 42 H SER 42 -4.287 2.162 2.689
308 HA SER 42 HA SER 42 -4.181 4.528 4.494
309 HB2 SER 42 2HB SER 42 -5.053 2.209 5.201
310 HB3 SER 42 3HB SER 42 -3.364 1.692 5.146
311 HG SER 42 HG SER 42 -4.658 3.155 7.019
312 H GLU 43 H GLU 43 -2.205 5.079 5.594
313 HA GLU 43 HA GLU 43 0.252 4.614 4.084
314 HB2 GLU 43 2HB GLU 43 1.322 5.976 5.723
315 HB3 GLU 43 3HB GLU 43 -0.143 6.769 5.161
316 HG2 GLU 43 2HG GLU 43 -1.324 6.281 7.167
317 HG3 GLU 43 3HG GLU 43 -0.049 5.193 7.731
318 H ASN 44 H ASN 44 -1.391 2.590 6.205
319 HA ASN 44 HA ASN 44 1.084 1.409 7.314
320 HB2 ASN 44 2HB ASN 44 -0.317 0.003 8.708
321 HB3 ASN 44 3HB ASN 44 -0.551 1.724 8.940
322 HD21 ASN 44 1HD2 ASN 44 -2.411 1.709 9.926
323 HD22 ASN 44 2HD2 ASN 44 -3.893 1.232 9.123
324 H GLY 45 H GLY 45 -1.671 -0.415 5.969
325 HA2 GLY 45 2HA GLY 45 -1.777 -2.079 4.406
326 HA3 GLY 45 3HA GLY 45 -0.838 -0.911 3.509
327 H TRP 46 H TRP 46 0.962 -1.447 2.729
328 HA TRP 46 HA TRP 46 2.626 -2.668 1.875
329 HB2 TRP 46 2HB TRP 46 3.383 -3.400 4.125
330 HB3 TRP 46 3HB TRP 46 2.330 -4.797 3.946
331 HD1 TRP 46 HD1 TRP 46 5.439 -3.213 2.411
332 HE1 TRP 46 HE1 TRP 46 6.764 -4.945 1.056
333 HE3 TRP 46 HE3 TRP 46 2.162 -7.119 2.685
334 HZ2 TRP 46 HZ2 TRP 46 6.424 -7.675 0.178
335 HZ3 TRP 46 HZ3 TRP 46 2.689 -9.288 1.599
336 HH2 TRP 46 HH2 TRP 46 4.818 -9.569 0.347
337 H CYS 47 H CYS 47 2.592 -3.909 0.117
338 HA CYS 47 HA CYS 47 0.654 -6.115 -0.208
339 HB2 CYS 47 2HB CYS 47 -0.313 -5.170 -2.156
340 HB3 CYS 47 3HB CYS 47 -0.151 -3.770 -1.082
341 H ARG 48 H ARG 48 1.124 -7.179 -2.452
342 HA ARG 48 HA ARG 48 3.973 -7.901 -2.411
343 HB2 ARG 48 2HB ARG 48 1.472 -8.985 -3.751
344 HB3 ARG 48 3HB ARG 48 3.042 -9.519 -4.335
345 HG2 ARG 48 2HG ARG 48 2.262 -9.694 -1.424
346 HG3 ARG 48 3HG ARG 48 1.894 -10.970 -2.584
347 HD2 ARG 48 2HD ARG 48 4.241 -11.302 -3.116
348 HD3 ARG 48 3HD ARG 48 4.718 -9.947 -2.078
349 HE ARG 48 HE ARG 48 3.271 -11.654 -0.406
350 HH11 ARG 48 1HH1 ARG 48 6.251 -12.050 -2.252
351 HH12 ARG 48 2HH1 ARG 48 6.790 -13.329 -1.189
352 HH21 ARG 48 1HH2 ARG 48 4.052 -12.994 0.929
353 HH22 ARG 48 2HH2 ARG 48 5.646 -13.718 0.755
354 H LEU 49 H LEU 49 2.615 -5.307 -3.784
355 HA LEU 49 HA LEU 49 4.375 -5.374 -6.192
356 HB2 LEU 49 2HB LEU 49 1.887 -3.833 -5.472
357 HB3 LEU 49 3HB LEU 49 3.020 -3.153 -6.601
358 HG LEU 49 HG LEU 49 1.151 -4.298 -7.689
359 HD11 LEU 49 1HD1 LEU 49 3.787 -5.707 -8.286
360 HD12 LEU 49 2HD1 LEU 49 2.407 -5.496 -9.375
361 HD13 LEU 49 3HD1 LEU 49 3.341 -4.086 -8.855
362 HD21 LEU 49 1HD2 LEU 49 0.932 -6.185 -6.018
363 HD22 LEU 49 2HD2 LEU 49 0.846 -6.654 -7.728
364 HD23 LEU 49 3HD2 LEU 49 2.326 -6.953 -6.803
365 H TYR 50 H TYR 50 4.705 -4.549 -3.050
366 HA TYR 50 HA TYR 50 5.724 -2.143 -2.624
367 HB2 TYR 50 2HB TYR 50 5.642 -4.107 -1.102
368 HB3 TYR 50 3HB TYR 50 7.111 -4.731 -1.833
369 HD1 TYR 50 HD1 TYR 50 5.646 -1.943 0.139
370 HD2 TYR 50 HD2 TYR 50 9.280 -3.915 -1.076
371 HE1 TYR 50 HE1 TYR 50 6.921 -0.737 1.930
372 HE2 TYR 50 HE2 TYR 50 10.548 -2.657 0.651
373 HH TYR 50 HH TYR 50 10.421 -1.134 2.397
374 H ALA 51 H ALA 51 7.612 -0.996 -2.640
375 HA ALA 51 HA ALA 51 8.982 -1.001 -5.129
376 HB1 ALA 51 1HB ALA 51 9.434 0.638 -2.618
377 HB2 ALA 51 2HB ALA 51 9.948 1.071 -4.268
378 HB3 ALA 51 3HB ALA 51 8.225 0.963 -3.878
379 H GLY 52 H GLY 52 11.256 -0.631 -5.469
380 HA2 GLY 52 2HA GLY 52 13.012 -2.679 -4.546
381 HA3 GLY 52 3HA GLY 52 13.363 -1.328 -5.633
382 H LYS 53 H LYS 53 12.204 -0.410 -2.690
383 HA LYS 53 HA LYS 53 14.496 1.189 -2.000
384 HB2 LYS 53 2HB LYS 53 11.985 0.738 -0.391
385 HB3 LYS 53 3HB LYS 53 13.177 2.019 -0.142
386 HG2 LYS 53 2HG LYS 53 11.588 1.587 -2.675
387 HG3 LYS 53 3HG LYS 53 11.116 2.722 -1.403
388 HD2 LYS 53 2HD LYS 53 13.194 4.015 -1.898
389 HD3 LYS 53 3HD LYS 53 13.576 2.856 -3.201
390 HE2 LYS 53 2HE LYS 53 11.486 3.389 -4.371
391 HE3 LYS 53 3HE LYS 53 10.955 4.409 -3.039
392 HZ1 LYS 53 1HZ LYS 53 12.971 5.809 -3.525
393 HZ2 LYS 53 2HZ LYS 53 13.147 4.970 -4.938
394 HZ3 LYS 53 3HZ LYS 53 11.795 5.878 -4.633
395 H ALA 54 H ALA 54 16.264 -0.091 -1.457
396 HA ALA 54 HA ALA 54 16.213 -1.812 0.950
397 HB1 ALA 54 1HB ALA 54 16.721 -2.932 -1.850
398 HB2 ALA 54 2HB ALA 54 16.837 -3.833 -0.323
399 HB3 ALA 54 3HB ALA 54 15.271 -3.226 -0.884
Start of MODEL 12
1 H1 VAL 1 1H VAL 1 -5.680 8.855 -19.008
2 H2 VAL 1 2H VAL 1 -5.297 10.019 -17.901
3 H3 VAL 1 3H VAL 1 -6.464 8.924 -17.580
4 HA VAL 1 HA VAL 1 -3.668 8.137 -18.046
5 HB VAL 1 HB VAL 1 -3.525 7.743 -15.581
6 HG11 VAL 1 1HG1 VAL 1 -3.732 10.637 -16.497
7 HG12 VAL 1 2HG1 VAL 1 -2.834 10.030 -15.101
8 HG13 VAL 1 3HG1 VAL 1 -2.347 9.565 -16.738
9 HG21 VAL 1 1HG2 VAL 1 -5.937 7.966 -14.991
10 HG22 VAL 1 2HG2 VAL 1 -4.888 9.041 -14.060
11 HG23 VAL 1 3HG2 VAL 1 -5.860 9.699 -15.376
12 H THR 2 H THR 2 -3.164 5.971 -17.370
13 HA THR 2 HA THR 2 -5.388 4.055 -17.753
14 HB THR 2 HB THR 2 -2.449 3.382 -17.376
15 HG1 THR 2 HG1 THR 2 -2.219 3.517 -19.571
16 HG21 THR 2 1HG2 THR 2 -4.080 1.484 -17.367
17 HG22 THR 2 2HG2 THR 2 -4.693 2.023 -18.946
18 HG23 THR 2 3HG2 THR 2 -3.020 1.443 -18.781
19 H LYS 3 H LYS 3 -6.256 2.844 -16.107
20 HA LYS 3 HA LYS 3 -5.491 3.451 -13.383
21 HB2 LYS 3 2HB LYS 3 -7.835 2.916 -14.412
22 HB3 LYS 3 3HB LYS 3 -7.394 1.222 -14.151
23 HG2 LYS 3 2HG LYS 3 -7.007 1.778 -11.712
24 HG3 LYS 3 3HG LYS 3 -7.515 3.442 -12.052
25 HD2 LYS 3 2HD LYS 3 -9.746 2.492 -12.865
26 HD3 LYS 3 3HD LYS 3 -9.197 0.912 -12.274
27 HE2 LYS 3 2HE LYS 3 -8.706 2.314 -10.049
28 HE3 LYS 3 3HE LYS 3 -9.879 3.430 -10.746
29 HZ1 LYS 3 1HZ LYS 3 -10.319 0.581 -10.051
30 HZ2 LYS 3 2HZ LYS 3 -11.052 1.899 -9.361
31 HZ3 LYS 3 3HZ LYS 3 -11.427 1.482 -10.883
32 H LYS 4 H LYS 4 -4.343 2.319 -11.885
33 HA LYS 4 HA LYS 4 -2.610 0.142 -12.599
34 HB2 LYS 4 2HB LYS 4 -3.388 1.576 -10.028
35 HB3 LYS 4 3HB LYS 4 -2.291 0.215 -9.932
36 HG2 LYS 4 2HG LYS 4 -1.809 2.508 -11.770
37 HG3 LYS 4 3HG LYS 4 -1.250 2.471 -10.107
38 HD2 LYS 4 2HD LYS 4 0.136 0.428 -10.733
39 HD3 LYS 4 3HD LYS 4 -0.464 0.606 -12.396
40 HE2 LYS 4 2HE LYS 4 0.342 3.031 -12.260
41 HE3 LYS 4 3HE LYS 4 1.190 2.604 -10.803
42 HZ1 LYS 4 1HZ LYS 4 2.605 1.140 -12.047
43 HZ2 LYS 4 2HZ LYS 4 1.604 1.089 -13.332
44 HZ3 LYS 4 3HZ LYS 4 2.458 2.445 -13.038
45 H ALA 5 H ALA 5 -2.378 -1.451 -10.762
46 HA ALA 5 HA ALA 5 -4.399 -3.567 -10.806
47 HB1 ALA 5 1HB ALA 5 -2.046 -4.109 -10.403
48 HB2 ALA 5 2HB ALA 5 -1.999 -3.035 -8.988
49 HB3 ALA 5 3HB ALA 5 -2.975 -4.510 -8.957
50 H SER 6 H SER 6 -5.956 -4.075 -9.248
51 HA SER 6 HA SER 6 -6.839 -2.071 -7.338
52 HB2 SER 6 2HB SER 6 -8.314 -3.839 -6.486
53 HB3 SER 6 3HB SER 6 -8.447 -3.654 -8.244
54 HG SER 6 HG SER 6 -7.396 -5.498 -8.557
55 H HIS 7 H HIS 7 -6.814 -2.294 -5.001
56 HA HIS 7 HA HIS 7 -4.338 -3.073 -3.783
57 HB2 HIS 7 2HB HIS 7 -6.089 -3.077 -1.706
58 HB3 HIS 7 3HB HIS 7 -5.331 -1.655 -2.381
59 HD2 HIS 7 HD2 HIS 7 -6.854 -0.041 -3.939
60 HE1 HIS 7 HE1 HIS 7 -10.603 -1.586 -2.664
61 HE2 HIS 7 HE2 HIS 7 -9.437 0.351 -3.854
62 H LYS 8 H LYS 8 -7.043 -4.853 -4.559
63 HA LYS 8 HA LYS 8 -6.581 -7.311 -3.033
64 HB2 LYS 8 2HB LYS 8 -8.167 -6.880 -5.615
65 HB3 LYS 8 3HB LYS 8 -8.225 -8.298 -4.589
66 HG2 LYS 8 2HG LYS 8 -9.200 -5.503 -3.866
67 HG3 LYS 8 3HG LYS 8 -10.141 -6.919 -4.327
68 HD2 LYS 8 2HD LYS 8 -8.733 -7.965 -2.225
69 HD3 LYS 8 3HD LYS 8 -8.757 -6.283 -1.724
70 HE2 LYS 8 2HE LYS 8 -11.216 -7.969 -2.422
71 HE3 LYS 8 3HE LYS 8 -10.627 -7.650 -0.786
72 HZ1 LYS 8 1HZ LYS 8 -10.980 -5.272 -1.195
73 HZ2 LYS 8 2HZ LYS 8 -11.623 -5.573 -2.667
74 HZ3 LYS 8 3HZ LYS 8 -12.367 -6.116 -1.284
75 H ASP 9 H ASP 9 -6.245 -6.575 -6.497
76 HA ASP 9 HA ASP 9 -4.723 -8.855 -7.247
77 HB2 ASP 9 2HB ASP 9 -5.846 -7.167 -8.725
78 HB3 ASP 9 3HB ASP 9 -4.500 -6.091 -8.444
79 H ALA 10 H ALA 10 -3.660 -5.702 -6.145
80 HA ALA 10 HA ALA 10 -0.841 -6.242 -6.163
81 HB1 ALA 10 1HB ALA 10 -2.423 -4.180 -4.582
82 HB2 ALA 10 2HB ALA 10 -0.678 -4.147 -4.887
83 HB3 ALA 10 3HB ALA 10 -1.811 -3.966 -6.240
84 H GLY 11 H GLY 11 -3.234 -7.512 -4.068
85 HA2 GLY 11 2HA GLY 11 -3.081 -8.835 -2.234
86 HA3 GLY 11 3HA GLY 11 -1.344 -8.969 -2.524
87 H TYR 12 H TYR 12 -3.286 -6.081 -1.690
88 HA TYR 12 HA TYR 12 -1.533 -5.267 0.443
89 HB2 TYR 12 2HB TYR 12 -2.540 -3.328 0.363
90 HB3 TYR 12 3HB TYR 12 -3.132 -3.878 -1.177
91 HD1 TYR 12 HD1 TYR 12 -5.431 -5.732 -0.158
92 HD2 TYR 12 HD2 TYR 12 -4.141 -1.765 0.962
93 HE1 TYR 12 HE1 TYR 12 -7.704 -5.232 0.708
94 HE2 TYR 12 HE2 TYR 12 -6.429 -1.267 1.801
95 HH TYR 12 HH TYR 12 -8.959 -3.760 1.996
96 H GLN 13 H GLN 13 -2.477 -4.525 2.574
97 HA GLN 13 HA GLN 13 -4.427 -6.343 3.803
98 HB2 GLN 13 2HB GLN 13 -2.604 -6.652 5.728
99 HB3 GLN 13 3HB GLN 13 -2.812 -7.772 4.393
100 HG2 GLN 13 2HG GLN 13 -0.905 -6.766 3.184
101 HG3 GLN 13 3HG GLN 13 -0.677 -5.604 4.505
102 HE21 GLN 13 1HE2 GLN 13 1.021 -6.046 5.587
103 HE22 GLN 13 2HE2 GLN 13 1.503 -7.648 6.095
104 H GLU 14 H GLU 14 -4.818 -5.669 6.162
105 HA GLU 14 HA GLU 14 -5.275 -2.789 6.142
106 HB2 GLU 14 2HB GLU 14 -6.559 -3.127 8.106
107 HB3 GLU 14 3HB GLU 14 -6.920 -4.420 6.957
108 HG2 GLU 14 2HG GLU 14 -5.418 -5.937 8.263
109 HG3 GLU 14 3HG GLU 14 -5.152 -4.639 9.430
110 H SER 15 H SER 15 -2.560 -4.401 6.897
111 HA SER 15 HA SER 15 -1.434 -2.389 8.729
112 HB2 SER 15 2HB SER 15 -0.613 -4.402 10.171
113 HB3 SER 15 3HB SER 15 -2.266 -3.865 10.350
114 HG SER 15 HG SER 15 -2.356 -6.056 10.121
115 HA PRO 16 HA PRO 16 2.442 -3.134 6.727
116 HB2 PRO 16 2HB PRO 16 3.804 -3.645 9.323
117 HB3 PRO 16 3HB PRO 16 4.156 -2.401 8.106
118 HG2 PRO 16 2HG PRO 16 2.914 -1.825 10.472
119 HG3 PRO 16 3HG PRO 16 2.583 -0.958 8.942
120 HD2 PRO 16 2HD PRO 16 0.900 -3.022 10.334
121 HD3 PRO 16 3HD PRO 16 0.431 -1.620 9.346
122 H ASN 17 H ASN 17 4.296 -4.569 6.425
123 HA ASN 17 HA ASN 17 3.955 -7.421 7.295
124 HB2 ASN 17 2HB ASN 17 3.570 -7.371 4.943
125 HB3 ASN 17 3HB ASN 17 4.826 -6.183 4.673
126 HD21 ASN 17 1HD2 ASN 17 5.340 -7.859 2.941
127 HD22 ASN 17 2HD2 ASN 17 6.501 -9.093 3.422
128 H GLY 18 H GLY 18 5.182 -7.181 9.185
129 HA2 GLY 18 2HA GLY 18 7.059 -7.004 10.504
130 HA3 GLY 18 3HA GLY 18 7.985 -7.407 9.057
131 H ALA 19 H ALA 19 9.411 -5.949 8.452
132 HA ALA 19 HA ALA 19 9.472 -3.241 9.510
133 HB1 ALA 19 1HB ALA 19 11.204 -4.634 7.423
134 HB2 ALA 19 2HB ALA 19 11.580 -3.106 8.248
135 HB3 ALA 19 3HB ALA 19 11.495 -4.614 9.178
136 H LYS 20 H LYS 20 7.950 -4.557 6.602
137 HA LYS 20 HA LYS 20 8.272 -2.004 5.127
138 HB2 LYS 20 2HB LYS 20 6.900 -4.549 4.237
139 HB3 LYS 20 3HB LYS 20 7.336 -3.169 3.241
140 HG2 LYS 20 2HG LYS 20 9.366 -3.992 2.817
141 HG3 LYS 20 3HG LYS 20 9.757 -4.118 4.536
142 HD2 LYS 20 2HD LYS 20 8.468 -6.272 4.628
143 HD3 LYS 20 3HD LYS 20 8.180 -6.141 2.897
144 HE2 LYS 20 2HE LYS 20 10.714 -6.021 2.581
145 HE3 LYS 20 3HE LYS 20 10.876 -6.362 4.308
146 HZ1 LYS 20 1HZ LYS 20 9.687 -8.096 2.237
147 HZ2 LYS 20 2HZ LYS 20 11.053 -8.405 3.119
148 HZ3 LYS 20 3HZ LYS 20 9.606 -8.439 3.872
149 H ARG 21 H ARG 21 6.741 -0.626 4.649
150 HA ARG 21 HA ARG 21 3.870 -1.155 5.079
151 HB2 ARG 21 2HB ARG 21 3.565 0.108 6.899
152 HB3 ARG 21 3HB ARG 21 5.274 -0.042 7.195
153 HG2 ARG 21 2HG ARG 21 5.697 2.137 6.104
154 HG3 ARG 21 3HG ARG 21 3.985 2.250 5.664
155 HD2 ARG 21 2HD ARG 21 3.510 2.041 8.208
156 HD3 ARG 21 3HD ARG 21 5.203 2.449 8.431
157 HE ARG 21 HE ARG 21 3.029 4.135 7.282
158 HH11 ARG 21 1HH1 ARG 21 6.495 4.007 7.934
159 HH12 ARG 21 2HH1 ARG 21 6.623 5.750 7.789
160 HH21 ARG 21 1HH2 ARG 21 3.327 6.406 7.372
161 HH22 ARG 21 2HH2 ARG 21 4.975 6.973 7.414
162 H CYS 22 H CYS 22 2.510 0.362 3.909
163 HA CYS 22 HA CYS 22 3.263 1.189 1.435
164 HB2 CYS 22 2HB CYS 22 1.217 2.362 3.372
165 HB3 CYS 22 3HB CYS 22 1.338 2.846 1.687
166 H GLY 23 H GLY 23 3.182 3.565 4.153
167 HA2 GLY 23 2HA GLY 23 4.457 5.710 2.872
168 HA3 GLY 23 3HA GLY 23 4.374 5.446 4.604
169 H THR 24 H THR 24 6.085 2.842 3.221
170 HA THR 24 HA THR 24 8.561 4.239 2.729
171 HB THR 24 HB THR 24 8.442 3.885 5.242
172 HG1 THR 24 HG1 THR 24 10.590 3.625 5.341
173 HG21 THR 24 1HG2 THR 24 7.799 1.437 5.052
174 HG22 THR 24 2HG2 THR 24 9.490 1.136 4.584
175 HG23 THR 24 3HG2 THR 24 9.124 1.832 6.168
176 H CYS 25 H CYS 25 6.567 2.287 1.357
177 HA CYS 25 HA CYS 25 8.116 -0.085 0.752
178 HB2 CYS 25 2HB CYS 25 6.394 -0.708 -0.634
179 HB3 CYS 25 3HB CYS 25 5.567 0.241 0.576
180 H ARG 26 H ARG 26 7.130 2.332 -1.481
181 HA ARG 26 HA ARG 26 9.680 3.590 -1.904
182 HB2 ARG 26 2HB ARG 26 9.897 1.571 -3.443
183 HB3 ARG 26 3HB ARG 26 8.520 2.193 -4.366
184 HG2 ARG 26 2HG ARG 26 9.805 4.257 -4.878
185 HG3 ARG 26 3HG ARG 26 11.136 3.683 -3.861
186 HD2 ARG 26 2HD ARG 26 11.399 1.742 -5.415
187 HD3 ARG 26 3HD ARG 26 10.158 2.450 -6.470
188 HE ARG 26 HE ARG 26 11.893 4.545 -6.169
189 HH11 ARG 26 1HH1 ARG 26 12.577 1.271 -7.228
190 HH12 ARG 26 2HH1 ARG 26 14.134 1.761 -7.879
191 HH21 ARG 26 1HH2 ARG 26 13.832 5.021 -6.934
192 HH22 ARG 26 2HH2 ARG 26 14.791 3.808 -7.769
193 H GLN 27 H GLN 27 6.243 3.244 -2.567
194 HA GLN 27 HA GLN 27 6.156 6.078 -3.499
195 HB2 GLN 27 2HB GLN 27 4.299 3.860 -4.387
196 HB3 GLN 27 3HB GLN 27 4.239 5.576 -4.834
197 HG2 GLN 27 2HG GLN 27 6.714 5.253 -5.614
198 HG3 GLN 27 3HG GLN 27 6.367 3.525 -5.543
199 HE21 GLN 27 1HE2 GLN 27 4.382 2.791 -6.953
200 HE22 GLN 27 2HE2 GLN 27 4.312 3.619 -8.504
201 H PHE 28 H PHE 28 3.316 4.171 -2.422
202 HA PHE 28 HA PHE 28 1.495 4.957 -1.377
203 HB2 PHE 28 2HB PHE 28 2.650 4.593 0.642
204 HB3 PHE 28 3HB PHE 28 3.541 6.097 0.541
205 HD1 PHE 28 HD1 PHE 28 -0.016 4.840 0.725
206 HD2 PHE 28 HD2 PHE 28 2.805 7.920 1.815
207 HE1 PHE 28 HE1 PHE 28 -1.785 6.025 1.999
208 HE2 PHE 28 HE2 PHE 28 1.038 9.068 3.126
209 HZ PHE 28 HZ PHE 28 -1.265 8.135 3.200
210 H ARG 29 H ARG 29 0.107 6.914 -0.844
211 HA ARG 29 HA ARG 29 1.110 9.483 -1.830
212 HB2 ARG 29 2HB ARG 29 0.386 8.326 -3.883
213 HB3 ARG 29 3HB ARG 29 -1.212 8.081 -3.202
214 HG2 ARG 29 2HG ARG 29 -1.142 9.896 -4.811
215 HG3 ARG 29 3HG ARG 29 -1.630 10.469 -3.211
216 HD2 ARG 29 2HD ARG 29 0.693 11.339 -2.874
217 HD3 ARG 29 3HD ARG 29 1.111 10.792 -4.513
218 HE ARG 29 HE ARG 29 -1.158 12.338 -4.863
219 HH11 ARG 29 1HH1 ARG 29 1.984 13.183 -3.421
220 HH12 ARG 29 2HH1 ARG 29 1.814 14.821 -4.006
221 HH21 ARG 29 1HH2 ARG 29 -1.275 14.380 -5.384
222 HH22 ARG 29 2HH2 ARG 29 -0.016 15.521 -4.937
223 HA PRO 30 HA PRO 30 -1.668 10.483 1.590
224 HB2 PRO 30 2HB PRO 30 -0.700 13.237 0.826
225 HB3 PRO 30 3HB PRO 30 -0.926 12.533 2.456
226 HG2 PRO 30 2HG PRO 30 1.555 12.709 1.387
227 HG3 PRO 30 3HG PRO 30 1.059 11.210 2.235
228 HD2 PRO 30 2HD PRO 30 1.072 11.765 -0.740
229 HD3 PRO 30 3HD PRO 30 1.693 10.328 0.138
230 HA PRO 31 HA PRO 31 -3.170 11.876 2.736
231 HB2 PRO 31 2HB PRO 31 -5.798 12.054 3.315
232 HB3 PRO 31 3HB PRO 31 -4.883 13.453 2.676
233 HG2 PRO 31 2HG PRO 31 -6.612 11.500 1.112
234 HG3 PRO 31 3HG PRO 31 -6.684 13.292 1.088
235 HD2 PRO 31 2HD PRO 31 -5.285 11.854 -0.772
236 HD3 PRO 31 3HD PRO 31 -4.721 13.447 -0.186
237 H SER 32 H SER 32 -4.775 9.660 0.551
238 HA SER 32 HA SER 32 -4.625 7.361 2.372
239 HB2 SER 32 2HB SER 32 -7.097 6.991 2.362
240 HB3 SER 32 3HB SER 32 -6.636 8.462 3.222
241 HG SER 32 HG SER 32 -7.730 8.235 0.612
242 H SER 33 H SER 33 -3.361 7.703 -0.069
243 HA SER 33 HA SER 33 -4.779 5.875 -1.952
244 HB2 SER 33 2HB SER 33 -3.493 8.568 -2.559
245 HB3 SER 33 3HB SER 33 -4.026 7.417 -3.788
246 HG SER 33 HG SER 33 -6.094 7.539 -3.040
247 H CYS 34 H CYS 34 -3.189 5.396 -3.866
248 HA CYS 34 HA CYS 34 -0.352 5.346 -2.980
249 HB2 CYS 34 2HB CYS 34 -1.314 3.122 -2.484
250 HB3 CYS 34 3HB CYS 34 -1.791 2.952 -4.176
251 H ILE 35 H ILE 35 0.842 4.385 -5.041
252 HA ILE 35 HA ILE 35 -0.042 5.901 -7.477
253 HB ILE 35 HB ILE 35 2.839 5.537 -6.663
254 HG12 ILE 35 2HG1 ILE 35 1.064 8.006 -6.492
255 HG13 ILE 35 3HG1 ILE 35 1.806 7.125 -5.151
256 HG21 ILE 35 1HG2 ILE 35 3.294 7.029 -8.593
257 HG22 ILE 35 2HG2 ILE 35 2.453 5.588 -9.105
258 HG23 ILE 35 3HG2 ILE 35 1.551 7.112 -8.944
259 HD11 ILE 35 1HD1 ILE 35 3.064 9.099 -5.467
260 HD12 ILE 35 2HD1 ILE 35 4.071 7.749 -6.023
261 HD13 ILE 35 3HD1 ILE 35 3.260 8.816 -7.200
262 H THR 36 H THR 36 1.654 3.033 -6.160
263 HA THR 36 HA THR 36 1.668 1.674 -8.727
264 HB THR 36 HB THR 36 1.986 -0.107 -6.431
265 HG1 THR 36 HG1 THR 36 2.981 1.146 -5.162
266 HG21 THR 36 1HG2 THR 36 3.990 0.893 -8.490
267 HG22 THR 36 2HG2 THR 36 4.087 -0.595 -7.515
268 HG23 THR 36 3HG2 THR 36 2.834 -0.426 -8.755
269 H VAL 37 H VAL 37 -0.746 2.180 -6.416
270 HA VAL 37 HA VAL 37 -2.383 -0.175 -7.229
271 HB VAL 37 HB VAL 37 -1.933 0.740 -4.356
272 HG11 VAL 37 1HG1 VAL 37 -3.240 -1.752 -5.503
273 HG12 VAL 37 2HG1 VAL 37 -2.912 -1.434 -3.776
274 HG13 VAL 37 3HG1 VAL 37 -4.060 -0.424 -4.634
275 HG21 VAL 37 1HG2 VAL 37 0.172 -0.223 -5.027
276 HG22 VAL 37 2HG2 VAL 37 -0.664 -1.412 -4.062
277 HG23 VAL 37 3HG2 VAL 37 -0.640 -1.592 -5.831
278 H GLU 38 H GLU 38 -4.620 0.086 -7.029
279 HA GLU 38 HA GLU 38 -5.977 2.571 -7.151
280 HB2 GLU 38 2HB GLU 38 -6.792 -0.212 -6.248
281 HB3 GLU 38 3HB GLU 38 -7.937 1.124 -6.204
282 HG2 GLU 38 2HG GLU 38 -7.635 1.549 -8.559
283 HG3 GLU 38 3HG GLU 38 -6.518 0.195 -8.714
284 H SER 39 H SER 39 -7.443 3.598 -5.672
285 HA SER 39 HA SER 39 -6.694 3.664 -2.833
286 HB2 SER 39 2HB SER 39 -8.238 5.343 -4.834
287 HB3 SER 39 3HB SER 39 -8.435 5.593 -3.121
288 HG SER 39 HG SER 39 -5.921 5.555 -4.467
289 HA PRO 40 HA PRO 40 -7.947 4.757 -1.094
290 HB2 PRO 40 2HB PRO 40 -9.137 4.334 1.282
291 HB3 PRO 40 3HB PRO 40 -9.993 5.162 -0.056
292 HG2 PRO 40 2HG PRO 40 -10.185 2.241 0.755
293 HG3 PRO 40 3HG PRO 40 -11.522 3.386 0.423
294 HD2 PRO 40 2HD PRO 40 -10.523 1.620 -1.458
295 HD3 PRO 40 3HD PRO 40 -11.229 3.203 -1.890
296 H ILE 41 H ILE 41 -6.398 4.596 0.545
297 HA ILE 41 HA ILE 41 -5.272 1.899 1.177
298 HB ILE 41 HB ILE 41 -4.095 4.279 -0.255
299 HG12 ILE 41 2HG1 ILE 41 -5.085 2.560 -1.659
300 HG13 ILE 41 3HG1 ILE 41 -3.376 2.703 -1.932
301 HG21 ILE 41 1HG2 ILE 41 -2.348 2.151 0.991
302 HG22 ILE 41 2HG2 ILE 41 -1.840 3.348 -0.193
303 HG23 ILE 41 3HG2 ILE 41 -2.393 3.881 1.386
304 HD11 ILE 41 1HD1 ILE 41 -4.755 0.464 -0.390
305 HD12 ILE 41 2HD1 ILE 41 -4.026 0.376 -1.998
306 HD13 ILE 41 3HD1 ILE 41 -2.993 0.619 -0.587
307 H SER 42 H SER 42 -3.808 1.851 2.924
308 HA SER 42 HA SER 42 -4.102 3.985 5.009
309 HB2 SER 42 2HB SER 42 -4.687 1.806 5.861
310 HB3 SER 42 3HB SER 42 -3.271 1.064 5.095
311 HG SER 42 HG SER 42 -2.659 1.314 7.150
312 H GLU 43 H GLU 43 -2.130 4.988 5.836
313 HA GLU 43 HA GLU 43 0.154 4.956 4.058
314 HB2 GLU 43 2HB GLU 43 1.231 6.389 5.592
315 HB3 GLU 43 3HB GLU 43 -0.428 6.939 5.427
316 HG2 GLU 43 2HG GLU 43 -1.033 6.045 7.552
317 HG3 GLU 43 3HG GLU 43 0.494 5.205 7.721
318 H ASN 44 H ASN 44 -0.853 2.615 6.229
319 HA ASN 44 HA ASN 44 1.925 1.586 6.540
320 HB2 ASN 44 2HB ASN 44 1.430 0.832 8.682
321 HB3 ASN 44 3HB ASN 44 0.642 2.388 8.632
322 HD21 ASN 44 1HD2 ASN 44 -0.384 1.640 10.497
323 HD22 ASN 44 2HD2 ASN 44 -1.822 0.638 10.256
324 H GLY 45 H GLY 45 -1.034 0.804 4.989
325 HA2 GLY 45 2HA GLY 45 -1.070 -2.008 5.659
326 HA3 GLY 45 3HA GLY 45 -2.190 -1.161 4.621
327 H TRP 46 H TRP 46 1.182 -2.190 4.643
328 HA TRP 46 HA TRP 46 2.097 -2.075 2.148
329 HB2 TRP 46 2HB TRP 46 3.286 -3.051 4.127
330 HB3 TRP 46 3HB TRP 46 2.327 -4.494 3.965
331 HD1 TRP 46 HD1 TRP 46 5.083 -2.598 2.046
332 HE1 TRP 46 HE1 TRP 46 6.386 -4.267 0.591
333 HE3 TRP 46 HE3 TRP 46 2.177 -6.749 2.731
334 HZ2 TRP 46 HZ2 TRP 46 6.363 -7.111 0.066
335 HZ3 TRP 46 HZ3 TRP 46 2.807 -8.911 1.691
336 HH2 TRP 46 HH2 TRP 46 4.910 -9.111 0.374
337 H CYS 47 H CYS 47 2.044 -3.008 0.155
338 HA CYS 47 HA CYS 47 0.320 -5.391 -0.265
339 HB2 CYS 47 2HB CYS 47 -0.384 -4.519 -2.331
340 HB3 CYS 47 3HB CYS 47 -0.322 -3.064 -1.318
341 H ARG 48 H ARG 48 0.822 -6.740 -1.961
342 HA ARG 48 HA ARG 48 3.565 -7.684 -1.796
343 HB2 ARG 48 2HB ARG 48 0.937 -8.791 -2.108
344 HB3 ARG 48 3HB ARG 48 1.759 -9.169 -3.611
345 HG2 ARG 48 2HG ARG 48 2.861 -9.723 -0.828
346 HG3 ARG 48 3HG ARG 48 1.942 -10.899 -1.788
347 HD2 ARG 48 2HD ARG 48 3.610 -10.747 -3.599
348 HD3 ARG 48 3HD ARG 48 4.590 -9.630 -2.620
349 HE ARG 48 HE ARG 48 4.333 -11.763 -0.942
350 HH11 ARG 48 1HH1 ARG 48 5.494 -11.559 -4.263
351 HH12 ARG 48 2HH1 ARG 48 6.480 -12.983 -4.071
352 HH21 ARG 48 1HH2 ARG 48 5.536 -13.510 -0.770
353 HH22 ARG 48 2HH2 ARG 48 6.464 -14.099 -2.133
354 H LEU 49 H LEU 49 2.054 -5.543 -3.875
355 HA LEU 49 HA LEU 49 3.855 -6.218 -6.150
356 HB2 LEU 49 2HB LEU 49 1.272 -6.607 -6.261
357 HB3 LEU 49 3HB LEU 49 1.187 -4.853 -6.440
358 HG LEU 49 HG LEU 49 2.755 -5.166 -8.482
359 HD11 LEU 49 1HD1 LEU 49 3.569 -7.444 -7.980
360 HD12 LEU 49 2HD1 LEU 49 1.912 -8.068 -8.106
361 HD13 LEU 49 3HD1 LEU 49 2.728 -7.389 -9.533
362 HD21 LEU 49 1HD2 LEU 49 0.350 -4.718 -8.693
363 HD22 LEU 49 2HD2 LEU 49 0.889 -5.856 -9.937
364 HD23 LEU 49 3HD2 LEU 49 -0.006 -6.447 -8.517
365 H TYR 50 H TYR 50 3.977 -4.173 -3.775
366 HA TYR 50 HA TYR 50 4.146 -1.613 -4.699
367 HB2 TYR 50 2HB TYR 50 5.583 -1.123 -2.925
368 HB3 TYR 50 3HB TYR 50 4.566 -2.427 -2.363
369 HD1 TYR 50 HD1 TYR 50 5.561 -4.793 -2.219
370 HD2 TYR 50 HD2 TYR 50 7.978 -1.289 -2.903
371 HE1 TYR 50 HE1 TYR 50 7.585 -6.036 -1.482
372 HE2 TYR 50 HE2 TYR 50 9.987 -2.515 -2.109
373 HH TYR 50 HH TYR 50 10.812 -4.514 -1.209
374 H ALA 51 H ALA 51 5.781 -0.217 -5.499
375 HA ALA 51 HA ALA 51 7.302 -1.274 -7.702
376 HB1 ALA 51 1HB ALA 51 7.359 1.448 -6.334
377 HB2 ALA 51 2HB ALA 51 8.122 1.057 -7.884
378 HB3 ALA 51 3HB ALA 51 6.358 0.986 -7.730
379 H GLY 52 H GLY 52 9.182 -2.366 -7.579
380 HA2 GLY 52 2HA GLY 52 10.643 -2.826 -5.222
381 HA3 GLY 52 3HA GLY 52 11.252 -3.113 -6.855
382 H LYS 53 H LYS 53 12.530 -2.039 -4.347
383 HA LYS 53 HA LYS 53 13.156 0.708 -4.507
384 HB2 LYS 53 2HB LYS 53 13.386 -1.419 -2.689
385 HB3 LYS 53 3HB LYS 53 15.041 -1.184 -3.199
386 HG2 LYS 53 2HG LYS 53 14.691 0.045 -1.231
387 HG3 LYS 53 3HG LYS 53 14.813 1.248 -2.519
388 HD2 LYS 53 2HD LYS 53 12.391 1.612 -2.450
389 HD3 LYS 53 3HD LYS 53 12.198 0.195 -1.386
390 HE2 LYS 53 2HE LYS 53 13.755 1.314 0.253
391 HE3 LYS 53 3HE LYS 53 13.689 2.788 -0.712
392 HZ1 LYS 53 1HZ LYS 53 12.091 2.432 1.292
393 HZ2 LYS 53 2HZ LYS 53 11.499 3.127 -0.074
394 HZ3 LYS 53 3HZ LYS 53 11.192 1.541 0.249
395 H ALA 54 H ALA 54 15.031 1.540 -4.804
396 HA ALA 54 HA ALA 54 16.752 2.374 -6.102
397 HB1 ALA 54 1HB ALA 54 17.909 -0.353 -5.425
398 HB2 ALA 54 2HB ALA 54 18.821 1.119 -5.817
399 HB3 ALA 54 3HB ALA 54 17.842 1.054 -4.342
Start of MODEL 13
1 H1 VAL 1 1H VAL 1 -9.640 3.937 -20.274
2 H2 VAL 1 2H VAL 1 -9.227 5.437 -20.798
3 H3 VAL 1 3H VAL 1 -9.781 5.209 -19.252
4 HA VAL 1 HA VAL 1 -7.261 4.165 -20.355
5 HB VAL 1 HB VAL 1 -6.233 5.570 -18.506
6 HG11 VAL 1 1HG1 VAL 1 -5.971 6.060 -20.877
7 HG12 VAL 1 2HG1 VAL 1 -7.478 6.992 -20.881
8 HG13 VAL 1 3HG1 VAL 1 -6.092 7.547 -19.927
9 HG21 VAL 1 1HG2 VAL 1 -8.825 7.157 -18.663
10 HG22 VAL 1 2HG2 VAL 1 -8.332 6.146 -17.284
11 HG23 VAL 1 3HG2 VAL 1 -7.364 7.547 -17.745
12 H THR 2 H THR 2 -5.959 2.911 -18.935
13 HA THR 2 HA THR 2 -7.713 1.106 -17.444
14 HB THR 2 HB THR 2 -4.770 0.905 -18.125
15 HG1 THR 2 HG1 THR 2 -6.488 0.850 -19.794
16 HG21 THR 2 1HG2 THR 2 -5.119 -1.530 -17.652
17 HG22 THR 2 2HG2 THR 2 -5.218 -0.541 -16.189
18 HG23 THR 2 3HG2 THR 2 -6.706 -1.150 -16.952
19 H LYS 3 H LYS 3 -8.206 1.356 -15.415
20 HA LYS 3 HA LYS 3 -6.775 3.131 -13.623
21 HB2 LYS 3 2HB LYS 3 -9.299 2.605 -13.737
22 HB3 LYS 3 3HB LYS 3 -8.920 1.117 -12.856
23 HG2 LYS 3 2HG LYS 3 -7.965 2.493 -10.993
24 HG3 LYS 3 3HG LYS 3 -8.315 3.964 -11.927
25 HD2 LYS 3 2HD LYS 3 -10.755 3.282 -11.927
26 HD3 LYS 3 3HD LYS 3 -10.325 1.962 -10.814
27 HE2 LYS 3 2HE LYS 3 -9.437 3.626 -9.192
28 HE3 LYS 3 3HE LYS 3 -9.804 4.926 -10.334
29 HZ1 LYS 3 1HZ LYS 3 -11.754 3.220 -8.903
30 HZ2 LYS 3 2HZ LYS 3 -11.551 4.841 -8.803
31 HZ3 LYS 3 3HZ LYS 3 -12.195 4.152 -10.172
32 H LYS 4 H LYS 4 -5.642 2.665 -11.757
33 HA LYS 4 HA LYS 4 -3.730 0.664 -11.780
34 HB2 LYS 4 2HB LYS 4 -4.901 2.365 -9.572
35 HB3 LYS 4 3HB LYS 4 -3.725 1.131 -9.141
36 HG2 LYS 4 2HG LYS 4 -3.050 2.903 -11.433
37 HG3 LYS 4 3HG LYS 4 -2.907 3.555 -9.790
38 HD2 LYS 4 2HD LYS 4 -1.199 2.155 -9.202
39 HD3 LYS 4 3HD LYS 4 -1.708 0.826 -10.268
40 HE2 LYS 4 2HE LYS 4 -0.941 1.859 -12.186
41 HE3 LYS 4 3HE LYS 4 -0.753 3.436 -11.404
42 HZ1 LYS 4 1HZ LYS 4 0.918 1.023 -10.921
43 HZ2 LYS 4 2HZ LYS 4 1.379 2.315 -11.808
44 HZ3 LYS 4 3HZ LYS 4 1.154 2.520 -10.221
45 H ALA 5 H ALA 5 -3.225 -1.045 -10.592
46 HA ALA 5 HA ALA 5 -5.135 -3.168 -10.469
47 HB1 ALA 5 1HB ALA 5 -2.427 -2.920 -9.087
48 HB2 ALA 5 2HB ALA 5 -3.366 -4.417 -9.289
49 HB3 ALA 5 3HB ALA 5 -2.719 -3.580 -10.714
50 H SER 6 H SER 6 -6.486 -3.864 -8.854
51 HA SER 6 HA SER 6 -7.081 -2.072 -6.690
52 HB2 SER 6 2HB SER 6 -8.616 -3.801 -5.891
53 HB3 SER 6 3HB SER 6 -8.788 -3.533 -7.634
54 HG SER 6 HG SER 6 -8.647 -5.715 -7.470
55 H HIS 7 H HIS 7 -6.745 -2.296 -4.499
56 HA HIS 7 HA HIS 7 -4.247 -3.319 -3.518
57 HB2 HIS 7 2HB HIS 7 -5.631 -2.993 -1.284
58 HB3 HIS 7 3HB HIS 7 -5.090 -1.633 -2.234
59 HD2 HIS 7 HD2 HIS 7 -6.837 0.102 -2.931
60 HE1 HIS 7 HE1 HIS 7 -10.392 -2.219 -2.626
61 HE2 HIS 7 HE2 HIS 7 -9.454 0.115 -3.076
62 H LYS 8 H LYS 8 -7.321 -4.773 -3.920
63 HA LYS 8 HA LYS 8 -6.892 -7.336 -2.681
64 HB2 LYS 8 2HB LYS 8 -8.523 -6.810 -5.199
65 HB3 LYS 8 3HB LYS 8 -8.697 -8.118 -4.063
66 HG2 LYS 8 2HG LYS 8 -9.335 -5.177 -3.556
67 HG3 LYS 8 3HG LYS 8 -10.455 -6.471 -3.902
68 HD2 LYS 8 2HD LYS 8 -9.214 -7.556 -1.702
69 HD3 LYS 8 3HD LYS 8 -8.958 -5.843 -1.373
70 HE2 LYS 8 2HE LYS 8 -11.021 -6.393 -0.314
71 HE3 LYS 8 3HE LYS 8 -11.464 -5.499 -1.778
72 HZ1 LYS 8 1HZ LYS 8 -11.490 -8.453 -1.466
73 HZ2 LYS 8 2HZ LYS 8 -12.824 -7.474 -1.559
74 HZ3 LYS 8 3HZ LYS 8 -11.831 -7.693 -2.861
75 H ASP 9 H ASP 9 -6.639 -6.535 -6.161
76 HA ASP 9 HA ASP 9 -5.420 -8.950 -6.994
77 HB2 ASP 9 2HB ASP 9 -6.393 -6.964 -8.378
78 HB3 ASP 9 3HB ASP 9 -4.774 -6.313 -8.302
79 H ALA 10 H ALA 10 -3.939 -5.930 -5.904
80 HA ALA 10 HA ALA 10 -1.195 -6.699 -6.129
81 HB1 ALA 10 1HB ALA 10 -2.588 -4.567 -4.459
82 HB2 ALA 10 2HB ALA 10 -0.854 -4.636 -4.780
83 HB3 ALA 10 3HB ALA 10 -1.987 -4.370 -6.121
84 H GLY 11 H GLY 11 -3.452 -7.985 -3.944
85 HA2 GLY 11 2HA GLY 11 -3.185 -9.335 -2.132
86 HA3 GLY 11 3HA GLY 11 -1.452 -9.402 -2.475
87 H TYR 12 H TYR 12 -3.305 -6.438 -1.631
88 HA TYR 12 HA TYR 12 -1.457 -5.850 0.478
89 HB2 TYR 12 2HB TYR 12 -2.222 -3.802 0.393
90 HB3 TYR 12 3HB TYR 12 -3.148 -4.280 -1.000
91 HD1 TYR 12 HD1 TYR 12 -5.538 -5.535 -0.207
92 HD2 TYR 12 HD2 TYR 12 -3.315 -2.591 2.031
93 HE1 TYR 12 HE1 TYR 12 -7.616 -4.877 0.991
94 HE2 TYR 12 HE2 TYR 12 -5.391 -1.952 3.246
95 HH TYR 12 HH TYR 12 -7.605 -2.338 3.525
96 H GLN 13 H GLN 13 -1.922 -5.422 2.666
97 HA GLN 13 HA GLN 13 -4.034 -7.080 3.947
98 HB2 GLN 13 2HB GLN 13 -2.211 -7.450 5.789
99 HB3 GLN 13 3HB GLN 13 -2.297 -8.485 4.380
100 HG2 GLN 13 2HG GLN 13 -0.435 -7.185 3.301
101 HG3 GLN 13 3HG GLN 13 -0.302 -6.210 4.774
102 HE21 GLN 13 1HE2 GLN 13 1.600 -6.664 5.525
103 HE22 GLN 13 2HE2 GLN 13 2.155 -8.308 5.828
104 H GLU 14 H GLU 14 -4.654 -6.364 6.079
105 HA GLU 14 HA GLU 14 -4.901 -3.476 6.163
106 HB2 GLU 14 2HB GLU 14 -6.453 -3.856 7.913
107 HB3 GLU 14 3HB GLU 14 -6.625 -5.229 6.809
108 HG2 GLU 14 2HG GLU 14 -4.896 -6.418 8.354
109 HG3 GLU 14 3HG GLU 14 -5.234 -5.137 9.511
110 H SER 15 H SER 15 -2.278 -5.233 7.080
111 HA SER 15 HA SER 15 -1.292 -3.126 8.755
112 HB2 SER 15 2HB SER 15 -0.494 -4.999 10.508
113 HB3 SER 15 3HB SER 15 -1.953 -4.047 10.691
114 HG SER 15 HG SER 15 -2.665 -6.041 10.991
115 HA PRO 16 HA PRO 16 2.405 -3.587 6.775
116 HB2 PRO 16 2HB PRO 16 3.842 -3.531 9.437
117 HB3 PRO 16 3HB PRO 16 4.175 -2.570 7.967
118 HG2 PRO 16 2HG PRO 16 2.799 -1.470 10.016
119 HG3 PRO 16 3HG PRO 16 2.224 -1.212 8.337
120 HD2 PRO 16 2HD PRO 16 1.151 -3.143 10.392
121 HD3 PRO 16 3HD PRO 16 0.312 -2.086 9.235
122 H ASN 17 H ASN 17 4.293 -4.768 6.207
123 HA ASN 17 HA ASN 17 4.367 -7.599 7.149
124 HB2 ASN 17 2HB ASN 17 3.897 -7.199 4.765
125 HB3 ASN 17 3HB ASN 17 5.384 -6.300 4.595
126 HD21 ASN 17 1HD2 ASN 17 4.725 -8.474 2.988
127 HD22 ASN 17 2HD2 ASN 17 5.794 -9.808 3.350
128 H GLY 18 H GLY 18 5.397 -6.848 9.116
129 HA2 GLY 18 2HA GLY 18 7.258 -6.673 10.482
130 HA3 GLY 18 3HA GLY 18 8.234 -7.234 9.123
131 H ALA 19 H ALA 19 9.529 -5.788 8.086
132 HA ALA 19 HA ALA 19 9.676 -3.026 9.084
133 HB1 ALA 19 1HB ALA 19 11.842 -3.026 7.927
134 HB2 ALA 19 2HB ALA 19 11.686 -4.446 8.975
135 HB3 ALA 19 3HB ALA 19 11.484 -4.613 7.213
136 H LYS 20 H LYS 20 8.153 -4.509 6.339
137 HA LYS 20 HA LYS 20 8.305 -1.963 4.789
138 HB2 LYS 20 2HB LYS 20 7.199 -4.576 3.777
139 HB3 LYS 20 3HB LYS 20 7.514 -3.088 2.885
140 HG2 LYS 20 2HG LYS 20 9.421 -4.104 2.269
141 HG3 LYS 20 3HG LYS 20 10.030 -3.552 3.835
142 HD2 LYS 20 2HD LYS 20 9.138 -5.751 4.774
143 HD3 LYS 20 3HD LYS 20 8.829 -6.270 3.120
144 HE2 LYS 20 2HE LYS 20 11.213 -6.065 2.560
145 HE3 LYS 20 3HE LYS 20 11.577 -5.442 4.176
146 HZ1 LYS 20 1HZ LYS 20 12.000 -7.865 3.914
147 HZ2 LYS 20 2HZ LYS 20 10.901 -7.521 5.120
148 HZ3 LYS 20 3HZ LYS 20 10.389 -8.115 3.691
149 H ARG 21 H ARG 21 6.684 -0.700 4.506
150 HA ARG 21 HA ARG 21 3.862 -1.436 5.053
151 HB2 ARG 21 2HB ARG 21 3.844 -0.427 7.017
152 HB3 ARG 21 3HB ARG 21 5.509 0.079 6.890
153 HG2 ARG 21 2HG ARG 21 4.848 2.189 5.858
154 HG3 ARG 21 3HG ARG 21 3.134 1.723 5.873
155 HD2 ARG 21 2HD ARG 21 3.536 1.386 8.455
156 HD3 ARG 21 3HD ARG 21 4.958 2.412 8.175
157 HE ARG 21 HE ARG 21 2.405 3.395 7.063
158 HH11 ARG 21 1HH1 ARG 21 4.439 3.615 9.968
159 HH12 ARG 21 2HH1 ARG 21 3.548 5.025 10.477
160 HH21 ARG 21 1HH2 ARG 21 1.421 5.114 7.839
161 HH22 ARG 21 2HH2 ARG 21 1.976 5.879 9.326
162 H CYS 22 H CYS 22 2.371 0.155 4.191
163 HA CYS 22 HA CYS 22 3.080 1.624 1.804
164 HB2 CYS 22 2HB CYS 22 0.669 1.844 3.650
165 HB3 CYS 22 3HB CYS 22 0.834 2.600 2.060
166 H GLY 23 H GLY 23 1.552 3.825 3.837
167 HA2 GLY 23 2HA GLY 23 2.059 5.838 4.782
168 HA3 GLY 23 3HA GLY 23 3.456 4.983 5.422
169 H THR 24 H THR 24 5.065 4.732 3.370
170 HA THR 24 HA THR 24 5.334 7.078 1.600
171 HB THR 24 HB THR 24 7.806 7.065 1.903
172 HG1 THR 24 HG1 THR 24 8.660 6.103 3.682
173 HG21 THR 24 1HG2 THR 24 7.901 8.370 3.951
174 HG22 THR 24 2HG2 THR 24 6.420 8.778 3.074
175 HG23 THR 24 3HG2 THR 24 6.345 7.717 4.499
176 H CYS 25 H CYS 25 6.201 3.707 2.453
177 HA CYS 25 HA CYS 25 7.005 1.927 1.296
178 HB2 CYS 25 2HB CYS 25 4.790 1.728 0.640
179 HB3 CYS 25 3HB CYS 25 4.852 3.054 -0.476
180 H ARG 26 H ARG 26 7.317 1.734 -1.578
181 HA ARG 26 HA ARG 26 9.423 3.805 -2.185
182 HB2 ARG 26 2HB ARG 26 8.744 1.209 -3.610
183 HB3 ARG 26 3HB ARG 26 9.852 2.438 -4.221
184 HG2 ARG 26 2HG ARG 26 10.217 0.672 -1.768
185 HG3 ARG 26 3HG ARG 26 11.127 0.656 -3.269
186 HD2 ARG 26 2HD ARG 26 12.629 1.783 -1.993
187 HD3 ARG 26 3HD ARG 26 11.740 3.157 -2.616
188 HE ARG 26 HE ARG 26 10.696 3.455 -0.470
189 HH11 ARG 26 1HH1 ARG 26 12.795 0.605 -0.329
190 HH12 ARG 26 2HH1 ARG 26 12.660 0.562 1.414
191 HH21 ARG 26 1HH2 ARG 26 10.842 3.423 1.699
192 HH22 ARG 26 2HH2 ARG 26 11.462 2.000 2.520
193 H GLN 27 H GLN 27 6.109 2.959 -2.702
194 HA GLN 27 HA GLN 27 5.766 5.300 -4.493
195 HB2 GLN 27 2HB GLN 27 5.278 2.406 -5.180
196 HB3 GLN 27 3HB GLN 27 4.305 3.645 -5.956
197 HG2 GLN 27 2HG GLN 27 7.319 3.402 -6.180
198 HG3 GLN 27 3HG GLN 27 6.127 2.926 -7.369
199 HE21 GLN 27 1HE2 GLN 27 7.651 5.760 -5.836
200 HE22 GLN 27 2HE2 GLN 27 7.061 6.897 -7.074
201 H PHE 28 H PHE 28 4.909 4.902 -1.676
202 HA PHE 28 HA PHE 28 1.972 4.765 -1.800
203 HB2 PHE 28 2HB PHE 28 3.221 4.322 0.323
204 HB3 PHE 28 3HB PHE 28 3.778 5.992 0.288
205 HD1 PHE 28 HD1 PHE 28 0.601 3.990 0.370
206 HD2 PHE 28 HD2 PHE 28 2.576 7.694 1.351
207 HE1 PHE 28 HE1 PHE 28 -1.353 4.677 1.726
208 HE2 PHE 28 HE2 PHE 28 0.623 8.374 2.715
209 HZ PHE 28 HZ PHE 28 -1.350 6.880 2.896
210 H ARG 29 H ARG 29 0.546 6.577 -1.569
211 HA ARG 29 HA ARG 29 1.629 9.205 -2.465
212 HB2 ARG 29 2HB ARG 29 0.452 7.993 -4.267
213 HB3 ARG 29 3HB ARG 29 -0.974 7.860 -3.272
214 HG2 ARG 29 2HG ARG 29 -1.217 9.602 -4.908
215 HG3 ARG 29 3HG ARG 29 -1.253 10.289 -3.278
216 HD2 ARG 29 2HD ARG 29 1.162 10.943 -3.550
217 HD3 ARG 29 3HD ARG 29 1.120 10.313 -5.206
218 HE ARG 29 HE ARG 29 -0.941 12.071 -5.261
219 HH11 ARG 29 1HH1 ARG 29 2.399 12.545 -4.189
220 HH12 ARG 29 2HH1 ARG 29 2.326 14.260 -4.475
221 HH21 ARG 29 1HH2 ARG 29 -1.001 14.265 -5.439
222 HH22 ARG 29 2HH2 ARG 29 0.471 15.192 -5.215
223 HA PRO 30 HA PRO 30 -0.431 10.033 1.518
224 HB2 PRO 30 2HB PRO 30 0.660 12.499 2.053
225 HB3 PRO 30 3HB PRO 30 1.521 10.953 2.322
226 HG2 PRO 30 2HG PRO 30 1.717 12.800 -0.077
227 HG3 PRO 30 3HG PRO 30 3.051 12.065 0.864
228 HD2 PRO 30 2HD PRO 30 2.157 10.995 -1.467
229 HD3 PRO 30 3HD PRO 30 2.686 9.939 -0.126
230 HA PRO 31 HA PRO 31 -1.519 11.521 3.096
231 HB2 PRO 31 2HB PRO 31 -4.091 11.749 3.947
232 HB3 PRO 31 3HB PRO 31 -3.073 13.164 3.544
233 HG2 PRO 31 2HG PRO 31 -5.118 11.786 1.770
234 HG3 PRO 31 3HG PRO 31 -4.957 13.538 2.120
235 HD2 PRO 31 2HD PRO 31 -3.877 12.417 -0.122
236 HD3 PRO 31 3HD PRO 31 -3.055 13.739 0.750
237 H SER 32 H SER 32 -3.891 9.833 0.965
238 HA SER 32 HA SER 32 -3.553 7.331 2.531
239 HB2 SER 32 2HB SER 32 -5.994 7.151 2.870
240 HB3 SER 32 3HB SER 32 -5.288 8.527 3.725
241 HG SER 32 HG SER 32 -6.599 8.625 1.209
242 H SER 33 H SER 33 -2.561 7.601 -0.012
243 HA SER 33 HA SER 33 -4.312 5.805 -1.621
244 HB2 SER 33 2HB SER 33 -3.157 8.490 -2.483
245 HB3 SER 33 3HB SER 33 -3.704 7.250 -3.628
246 HG SER 33 HG SER 33 -5.177 8.682 -1.702
247 H CYS 34 H CYS 34 -3.079 4.963 -3.592
248 HA CYS 34 HA CYS 34 -0.132 4.797 -3.072
249 HB2 CYS 34 2HB CYS 34 -1.390 2.732 -2.497
250 HB3 CYS 34 3HB CYS 34 -1.947 2.639 -4.176
251 H ILE 35 H ILE 35 1.220 4.569 -4.898
252 HA ILE 35 HA ILE 35 0.183 5.786 -7.428
253 HB ILE 35 HB ILE 35 3.098 5.329 -6.753
254 HG12 ILE 35 2HG1 ILE 35 1.538 7.916 -6.358
255 HG13 ILE 35 3HG1 ILE 35 2.157 6.881 -5.063
256 HG21 ILE 35 1HG2 ILE 35 3.471 6.932 -8.583
257 HG22 ILE 35 2HG2 ILE 35 2.494 5.600 -9.157
258 HG23 ILE 35 3HG2 ILE 35 1.720 7.154 -8.776
259 HD11 ILE 35 1HD1 ILE 35 4.481 7.269 -5.859
260 HD12 ILE 35 2HD1 ILE 35 3.844 8.476 -7.006
261 HD13 ILE 35 3HD1 ILE 35 3.644 8.716 -5.267
262 H THR 36 H THR 36 1.809 2.900 -6.070
263 HA THR 36 HA THR 36 1.845 1.468 -8.614
264 HB THR 36 HB THR 36 2.271 -0.403 -6.576
265 HG1 THR 36 HG1 THR 36 2.752 0.789 -4.909
266 HG21 THR 36 1HG2 THR 36 4.304 1.357 -7.998
267 HG22 THR 36 2HG2 THR 36 4.631 -0.190 -7.190
268 HG23 THR 36 3HG2 THR 36 3.603 -0.150 -8.639
269 H VAL 37 H VAL 37 -0.323 1.714 -5.905
270 HA VAL 37 HA VAL 37 -2.136 -0.396 -7.028
271 HB VAL 37 HB VAL 37 -1.489 0.281 -4.118
272 HG11 VAL 37 1HG1 VAL 37 -3.260 -1.907 -5.250
273 HG12 VAL 37 2HG1 VAL 37 -2.638 -1.842 -3.579
274 HG13 VAL 37 3HG1 VAL 37 -3.729 -0.593 -4.121
275 HG21 VAL 37 1HG2 VAL 37 0.390 -0.905 -5.127
276 HG22 VAL 37 2HG2 VAL 37 -0.468 -2.006 -4.085
277 HG23 VAL 37 3HG2 VAL 37 -0.704 -2.108 -5.848
278 H GLU 38 H GLU 38 -4.417 -0.082 -6.005
279 HA GLU 38 HA GLU 38 -5.612 2.235 -6.951
280 HB2 GLU 38 2HB GLU 38 -6.392 -0.164 -5.446
281 HB3 GLU 38 3HB GLU 38 -7.378 1.206 -4.975
282 HG2 GLU 38 2HG GLU 38 -6.918 0.422 -7.863
283 HG3 GLU 38 3HG GLU 38 -8.250 -0.185 -6.883
284 H SER 39 H SER 39 -7.187 3.614 -5.847
285 HA SER 39 HA SER 39 -6.251 4.868 -3.310
286 HB2 SER 39 2HB SER 39 -5.135 6.123 -4.981
287 HB3 SER 39 3HB SER 39 -6.552 6.080 -6.036
288 HG SER 39 HG SER 39 -6.119 7.639 -3.717
289 HA PRO 40 HA PRO 40 -7.125 6.118 -1.641
290 HB2 PRO 40 2HB PRO 40 -9.414 5.393 0.151
291 HB3 PRO 40 3HB PRO 40 -8.363 6.843 0.178
292 HG2 PRO 40 2HG PRO 40 -10.890 7.013 -0.776
293 HG3 PRO 40 3HG PRO 40 -9.548 7.826 -1.656
294 HD2 PRO 40 2HD PRO 40 -10.754 5.089 -2.211
295 HD3 PRO 40 3HD PRO 40 -10.511 6.446 -3.346
296 H ILE 41 H ILE 41 -6.247 5.045 0.287
297 HA ILE 41 HA ILE 41 -6.462 2.101 0.466
298 HB ILE 41 HB ILE 41 -4.770 3.232 -1.344
299 HG12 ILE 41 2HG1 ILE 41 -5.208 0.935 -1.416
300 HG13 ILE 41 3HG1 ILE 41 -3.482 1.204 -1.465
301 HG21 ILE 41 1HG2 ILE 41 -2.872 2.776 0.949
302 HG22 ILE 41 2HG2 ILE 41 -2.522 3.339 -0.669
303 HG23 ILE 41 3HG2 ILE 41 -3.444 4.377 0.431
304 HD11 ILE 41 1HD1 ILE 41 -5.078 0.125 0.891
305 HD12 ILE 41 2HD1 ILE 41 -3.938 -0.749 -0.137
306 HD13 ILE 41 3HD1 ILE 41 -3.332 0.505 0.949
307 H SER 42 H SER 42 -4.703 1.352 2.194
308 HA SER 42 HA SER 42 -4.978 2.983 4.645
309 HB2 SER 42 2HB SER 42 -5.343 0.643 4.927
310 HB3 SER 42 3HB SER 42 -3.806 0.239 4.128
311 HG SER 42 HG SER 42 -4.275 1.421 6.664
312 H GLU 43 H GLU 43 -3.351 4.181 5.531
313 HA GLU 43 HA GLU 43 -0.808 4.429 4.122
314 HB2 GLU 43 2HB GLU 43 -0.249 6.084 5.652
315 HB3 GLU 43 3HB GLU 43 -1.923 6.364 5.181
316 HG2 GLU 43 2HG GLU 43 -2.763 5.402 7.238
317 HG3 GLU 43 3HG GLU 43 -1.138 4.952 7.743
318 H ASN 44 H ASN 44 -1.758 2.008 6.191
319 HA ASN 44 HA ASN 44 0.983 1.550 7.252
320 HB2 ASN 44 2HB ASN 44 -1.840 1.100 8.180
321 HB3 ASN 44 3HB ASN 44 -0.733 -0.199 8.453
322 HD21 ASN 44 1HD2 ASN 44 -1.359 0.207 10.568
323 HD22 ASN 44 2HD2 ASN 44 -0.406 1.370 11.489
324 H GLY 45 H GLY 45 -1.799 -0.264 5.941
325 HA2 GLY 45 2HA GLY 45 -1.937 -2.054 4.503
326 HA3 GLY 45 3HA GLY 45 -1.067 -0.905 3.527
327 H TRP 46 H TRP 46 0.837 -1.386 2.803
328 HA TRP 46 HA TRP 46 2.511 -2.580 1.948
329 HB2 TRP 46 2HB TRP 46 3.279 -3.409 4.144
330 HB3 TRP 46 3HB TRP 46 2.162 -4.753 3.976
331 HD1 TRP 46 HD1 TRP 46 5.299 -3.312 2.305
332 HE1 TRP 46 HE1 TRP 46 6.482 -5.166 0.944
333 HE3 TRP 46 HE3 TRP 46 1.737 -6.950 2.599
334 HZ2 TRP 46 HZ2 TRP 46 5.997 -7.898 0.224
335 HZ3 TRP 46 HZ3 TRP 46 2.043 -9.105 1.406
336 HH2 TRP 46 HH2 TRP 46 4.172 -9.585 0.210
337 H CYS 47 H CYS 47 2.499 -3.718 0.123
338 HA CYS 47 HA CYS 47 0.571 -5.929 -0.302
339 HB2 CYS 47 2HB CYS 47 -0.216 -4.969 -2.355
340 HB3 CYS 47 3HB CYS 47 -0.196 -3.595 -1.233
341 H ARG 48 H ARG 48 1.032 -6.986 -2.470
342 HA ARG 48 HA ARG 48 3.860 -7.788 -2.604
343 HB2 ARG 48 2HB ARG 48 1.442 -8.796 -4.151
344 HB3 ARG 48 3HB ARG 48 3.068 -9.482 -4.199
345 HG2 ARG 48 2HG ARG 48 2.941 -9.946 -1.746
346 HG3 ARG 48 3HG ARG 48 1.291 -9.317 -1.724
347 HD2 ARG 48 2HD ARG 48 1.084 -11.674 -1.800
348 HD3 ARG 48 3HD ARG 48 0.640 -11.066 -3.389
349 HE ARG 48 HE ARG 48 2.457 -12.187 -4.333
350 HH11 ARG 48 1HH1 ARG 48 2.989 -12.225 -0.828
351 HH12 ARG 48 2HH1 ARG 48 4.307 -13.357 -0.983
352 HH21 ARG 48 1HH2 ARG 48 3.923 -13.763 -4.379
353 HH22 ARG 48 2HH2 ARG 48 4.908 -14.145 -2.983
354 H LEU 49 H LEU 49 2.289 -5.154 -3.900
355 HA LEU 49 HA LEU 49 3.749 -5.238 -6.505
356 HB2 LEU 49 2HB LEU 49 1.142 -4.128 -5.605
357 HB3 LEU 49 3HB LEU 49 2.046 -3.075 -6.651
358 HG LEU 49 HG LEU 49 0.383 -4.567 -7.787
359 HD11 LEU 49 1HD1 LEU 49 3.269 -4.865 -8.721
360 HD12 LEU 49 2HD1 LEU 49 1.809 -5.058 -9.715
361 HD13 LEU 49 3HD1 LEU 49 2.206 -3.475 -9.028
362 HD21 LEU 49 1HD2 LEU 49 0.838 -6.864 -8.236
363 HD22 LEU 49 2HD2 LEU 49 2.424 -6.800 -7.449
364 HD23 LEU 49 3HD2 LEU 49 0.953 -6.670 -6.475
365 H TYR 50 H TYR 50 4.024 -3.838 -3.457
366 HA TYR 50 HA TYR 50 5.339 -1.542 -3.390
367 HB2 TYR 50 2HB TYR 50 5.256 -3.348 -1.681
368 HB3 TYR 50 3HB TYR 50 6.492 -4.224 -2.561
369 HD1 TYR 50 HD1 TYR 50 8.860 -3.476 -2.538
370 HD2 TYR 50 HD2 TYR 50 5.798 -1.486 -0.239
371 HE1 TYR 50 HE1 TYR 50 10.600 -2.574 -1.000
372 HE2 TYR 50 HE2 TYR 50 7.544 -0.591 1.302
373 HH TYR 50 HH TYR 50 11.003 -1.440 0.935
374 H ALA 51 H ALA 51 6.779 -0.442 -4.582
375 HA ALA 51 HA ALA 51 7.728 -1.587 -6.979
376 HB1 ALA 51 1HB ALA 51 8.519 0.627 -7.535
377 HB2 ALA 51 2HB ALA 51 6.939 0.722 -6.745
378 HB3 ALA 51 3HB ALA 51 8.415 1.137 -5.840
379 H GLY 52 H GLY 52 9.742 -1.817 -7.910
380 HA2 GLY 52 2HA GLY 52 11.706 -3.165 -6.399
381 HA3 GLY 52 3HA GLY 52 11.793 -2.671 -8.096
382 H LYS 53 H LYS 53 11.442 -0.032 -6.219
383 HA LYS 53 HA LYS 53 14.086 1.081 -6.745
384 HB2 LYS 53 2HB LYS 53 11.470 2.052 -5.637
385 HB3 LYS 53 3HB LYS 53 12.887 3.008 -5.275
386 HG2 LYS 53 2HG LYS 53 11.716 3.862 -7.197
387 HG3 LYS 53 3HG LYS 53 13.371 3.394 -7.581
388 HD2 LYS 53 2HD LYS 53 12.592 1.369 -8.715
389 HD3 LYS 53 3HD LYS 53 10.914 1.700 -8.223
390 HE2 LYS 53 2HE LYS 53 10.917 3.804 -9.492
391 HE3 LYS 53 3HE LYS 53 12.617 3.583 -9.918
392 HZ1 LYS 53 1HZ LYS 53 10.439 1.738 -10.755
393 HZ2 LYS 53 2HZ LYS 53 11.081 2.928 -11.682
394 HZ3 LYS 53 3HZ LYS 53 12.029 1.665 -11.217
395 H ALA 54 H ALA 54 14.198 -1.180 -5.045
396 HA ALA 54 HA ALA 54 14.786 -2.053 -3.035
397 HB1 ALA 54 1HB ALA 54 16.782 0.220 -3.088
398 HB2 ALA 54 2HB ALA 54 16.938 -1.309 -2.207
399 HB3 ALA 54 3HB ALA 54 16.921 -1.308 -3.978
Start of MODEL 14
1 H1 VAL 1 1H VAL 1 -9.323 7.768 -18.483
2 H2 VAL 1 2H VAL 1 -8.367 9.095 -18.358
3 H3 VAL 1 3H VAL 1 -9.045 8.443 -17.012
4 HA VAL 1 HA VAL 1 -7.052 7.139 -18.753
5 HB VAL 1 HB VAL 1 -5.510 7.200 -16.851
6 HG11 VAL 1 1HG1 VAL 1 -6.431 10.007 -17.559
7 HG12 VAL 1 2HG1 VAL 1 -4.812 9.474 -17.089
8 HG13 VAL 1 3HG1 VAL 1 -5.484 8.956 -18.639
9 HG21 VAL 1 1HG2 VAL 1 -7.024 7.388 -14.944
10 HG22 VAL 1 2HG2 VAL 1 -5.884 8.735 -14.960
11 HG23 VAL 1 3HG2 VAL 1 -7.554 8.994 -15.489
12 H THR 2 H THR 2 -6.282 5.069 -18.093
13 HA THR 2 HA THR 2 -8.325 3.290 -17.136
14 HB THR 2 HB THR 2 -5.340 2.738 -17.305
15 HG1 THR 2 HG1 THR 2 -5.713 2.133 -19.371
16 HG21 THR 2 1HG2 THR 2 -6.666 0.917 -16.229
17 HG22 THR 2 2HG2 THR 2 -7.765 0.904 -17.630
18 HG23 THR 2 3HG2 THR 2 -6.072 0.423 -17.811
19 H LYS 3 H LYS 3 -8.662 2.361 -15.162
20 HA LYS 3 HA LYS 3 -7.789 3.684 -12.792
21 HB2 LYS 3 2HB LYS 3 -9.876 2.054 -13.425
22 HB3 LYS 3 3HB LYS 3 -8.816 0.845 -12.716
23 HG2 LYS 3 2HG LYS 3 -10.223 1.591 -10.974
24 HG3 LYS 3 3HG LYS 3 -8.671 2.376 -10.664
25 HD2 LYS 3 2HD LYS 3 -9.597 4.441 -11.857
26 HD3 LYS 3 3HD LYS 3 -11.149 3.614 -11.958
27 HE2 LYS 3 2HE LYS 3 -9.665 4.393 -9.412
28 HE3 LYS 3 3HE LYS 3 -11.050 5.233 -10.103
29 HZ1 LYS 3 1HZ LYS 3 -11.820 3.821 -8.373
30 HZ2 LYS 3 2HZ LYS 3 -12.340 3.124 -9.754
31 HZ3 LYS 3 3HZ LYS 3 -11.033 2.520 -8.946
32 H LYS 4 H LYS 4 -6.489 2.900 -10.992
33 HA LYS 4 HA LYS 4 -4.044 1.521 -11.704
34 HB2 LYS 4 2HB LYS 4 -5.343 2.280 -9.065
35 HB3 LYS 4 3HB LYS 4 -3.847 1.343 -9.088
36 HG2 LYS 4 2HG LYS 4 -4.014 3.791 -10.750
37 HG3 LYS 4 3HG LYS 4 -3.758 3.967 -9.001
38 HD2 LYS 4 2HD LYS 4 -1.687 2.587 -9.250
39 HD3 LYS 4 3HD LYS 4 -2.023 2.429 -10.996
40 HE2 LYS 4 2HE LYS 4 -2.168 5.029 -10.981
41 HE3 LYS 4 3HE LYS 4 -1.417 4.932 -9.397
42 HZ1 LYS 4 1HZ LYS 4 -0.293 3.967 -11.974
43 HZ2 LYS 4 2HZ LYS 4 0.258 5.228 -11.069
44 HZ3 LYS 4 3HZ LYS 4 0.429 3.686 -10.522
45 H ALA 5 H ALA 5 -3.276 -0.277 -10.532
46 HA ALA 5 HA ALA 5 -4.874 -2.709 -10.922
47 HB1 ALA 5 1HB ALA 5 -2.308 -2.296 -9.327
48 HB2 ALA 5 2HB ALA 5 -3.059 -3.860 -9.702
49 HB3 ALA 5 3HB ALA 5 -2.426 -2.846 -11.019
50 H SER 6 H SER 6 -5.966 -3.977 -9.273
51 HA SER 6 HA SER 6 -6.937 -2.239 -7.136
52 HB2 SER 6 2HB SER 6 -8.544 -3.736 -6.527
53 HB3 SER 6 3HB SER 6 -8.492 -3.762 -8.287
54 HG SER 6 HG SER 6 -8.682 -5.796 -7.072
55 H HIS 7 H HIS 7 -6.737 -2.393 -5.038
56 HA HIS 7 HA HIS 7 -4.380 -3.001 -3.636
57 HB2 HIS 7 2HB HIS 7 -6.224 -3.126 -1.717
58 HB3 HIS 7 3HB HIS 7 -5.866 -1.624 -2.536
59 HD2 HIS 7 HD2 HIS 7 -7.843 -0.329 -3.482
60 HE1 HIS 7 HE1 HIS 7 -10.583 -3.494 -4.268
61 HE2 HIS 7 HE2 HIS 7 -10.194 -0.992 -4.482
62 H LYS 8 H LYS 8 -7.237 -4.971 -3.999
63 HA LYS 8 HA LYS 8 -6.415 -7.426 -2.807
64 HB2 LYS 8 2HB LYS 8 -8.715 -6.860 -3.281
65 HB3 LYS 8 3HB LYS 8 -8.369 -6.810 -5.008
66 HG2 LYS 8 2HG LYS 8 -9.473 -8.821 -4.476
67 HG3 LYS 8 3HG LYS 8 -7.865 -9.227 -5.016
68 HD2 LYS 8 2HD LYS 8 -7.135 -9.606 -2.675
69 HD3 LYS 8 3HD LYS 8 -8.698 -9.065 -2.079
70 HE2 LYS 8 2HE LYS 8 -8.558 -11.496 -2.002
71 HE3 LYS 8 3HE LYS 8 -9.806 -11.006 -3.147
72 HZ1 LYS 8 1HZ LYS 8 -8.342 -11.511 -4.958
73 HZ2 LYS 8 2HZ LYS 8 -7.047 -11.721 -3.968
74 HZ3 LYS 8 3HZ LYS 8 -8.275 -12.810 -3.938
75 H ASP 9 H ASP 9 -6.321 -6.598 -6.295
76 HA ASP 9 HA ASP 9 -4.986 -8.945 -7.170
77 HB2 ASP 9 2HB ASP 9 -5.806 -6.566 -8.404
78 HB3 ASP 9 3HB ASP 9 -4.082 -6.526 -8.595
79 H ALA 10 H ALA 10 -3.545 -5.942 -5.877
80 HA ALA 10 HA ALA 10 -0.805 -6.941 -6.050
81 HB1 ALA 10 1HB ALA 10 -1.992 -4.570 -4.571
82 HB2 ALA 10 2HB ALA 10 -0.268 -4.837 -4.910
83 HB3 ALA 10 3HB ALA 10 -1.396 -4.549 -6.250
84 H GLY 11 H GLY 11 -3.293 -7.830 -3.985
85 HA2 GLY 11 2HA GLY 11 -3.330 -9.172 -2.206
86 HA3 GLY 11 3HA GLY 11 -1.587 -9.430 -2.346
87 H TYR 12 H TYR 12 -3.356 -6.404 -1.671
88 HA TYR 12 HA TYR 12 -1.747 -5.720 0.520
89 HB2 TYR 12 2HB TYR 12 -2.880 -3.769 0.627
90 HB3 TYR 12 3HB TYR 12 -3.172 -4.219 -1.033
91 HD1 TYR 12 HD1 TYR 12 -5.479 -6.206 -0.686
92 HD2 TYR 12 HD2 TYR 12 -4.661 -2.427 1.232
93 HE1 TYR 12 HE1 TYR 12 -7.912 -5.870 -0.316
94 HE2 TYR 12 HE2 TYR 12 -7.103 -2.101 1.600
95 HH TYR 12 HH TYR 12 -9.531 -4.292 0.246
96 H GLN 13 H GLN 13 -2.438 -5.060 2.674
97 HA GLN 13 HA GLN 13 -4.591 -6.649 3.951
98 HB2 GLN 13 2HB GLN 13 -2.985 -7.255 5.823
99 HB3 GLN 13 3HB GLN 13 -2.789 -8.110 4.309
100 HG2 GLN 13 2HG GLN 13 -0.841 -6.729 3.707
101 HG3 GLN 13 3HG GLN 13 -1.058 -5.786 5.186
102 HE21 GLN 13 1HE2 GLN 13 0.979 -6.201 5.923
103 HE22 GLN 13 2HE2 GLN 13 1.224 -7.738 6.733
104 H GLU 14 H GLU 14 -4.625 -5.969 6.432
105 HA GLU 14 HA GLU 14 -5.041 -3.080 6.500
106 HB2 GLU 14 2HB GLU 14 -6.006 -3.433 8.649
107 HB3 GLU 14 3HB GLU 14 -6.552 -4.712 7.565
108 HG2 GLU 14 2HG GLU 14 -4.839 -6.248 8.586
109 HG3 GLU 14 3HG GLU 14 -4.419 -4.968 9.733
110 H SER 15 H SER 15 -2.239 -4.865 6.975
111 HA SER 15 HA SER 15 -1.040 -2.856 8.813
112 HB2 SER 15 2HB SER 15 0.022 -4.942 9.943
113 HB3 SER 15 3HB SER 15 -1.654 -4.558 10.268
114 HG SER 15 HG SER 15 -1.448 -6.723 9.838
115 HA PRO 16 HA PRO 16 2.901 -3.369 6.748
116 HB2 PRO 16 2HB PRO 16 4.230 -3.654 9.376
117 HB3 PRO 16 3HB PRO 16 4.513 -2.441 8.121
118 HG2 PRO 16 2HG PRO 16 3.228 -1.845 10.486
119 HG3 PRO 16 3HG PRO 16 2.800 -1.046 8.944
120 HD2 PRO 16 2HD PRO 16 1.367 -3.323 10.326
121 HD3 PRO 16 3HD PRO 16 0.719 -1.898 9.476
122 H ASN 17 H ASN 17 4.453 -4.982 6.325
123 HA ASN 17 HA ASN 17 4.105 -7.696 7.558
124 HB2 ASN 17 2HB ASN 17 3.330 -7.747 5.284
125 HB3 ASN 17 3HB ASN 17 4.667 -6.792 4.715
126 HD21 ASN 17 1HD2 ASN 17 4.600 -8.771 3.161
127 HD22 ASN 17 2HD2 ASN 17 5.647 -10.108 3.641
128 H GLY 18 H GLY 18 5.731 -7.844 9.034
129 HA2 GLY 18 2HA GLY 18 7.879 -8.071 9.837
130 HA3 GLY 18 3HA GLY 18 8.418 -8.079 8.157
131 H ALA 19 H ALA 19 9.388 -6.274 7.327
132 HA ALA 19 HA ALA 19 9.656 -3.830 9.032
133 HB1 ALA 19 1HB ALA 19 11.478 -4.884 6.828
134 HB2 ALA 19 2HB ALA 19 11.774 -3.477 7.869
135 HB3 ALA 19 3HB ALA 19 11.746 -5.103 8.568
136 H LYS 20 H LYS 20 7.866 -4.833 6.319
137 HA LYS 20 HA LYS 20 8.201 -2.230 4.868
138 HB2 LYS 20 2HB LYS 20 6.979 -4.833 3.888
139 HB3 LYS 20 3HB LYS 20 7.281 -3.379 2.943
140 HG2 LYS 20 2HG LYS 20 9.288 -4.153 2.365
141 HG3 LYS 20 3HG LYS 20 9.810 -4.087 4.047
142 HD2 LYS 20 2HD LYS 20 8.859 -6.397 4.387
143 HD3 LYS 20 3HD LYS 20 8.389 -6.425 2.690
144 HE2 LYS 20 2HE LYS 20 10.421 -7.669 2.873
145 HE3 LYS 20 3HE LYS 20 10.795 -6.164 2.029
146 HZ1 LYS 20 1HZ LYS 20 12.445 -6.669 3.745
147 HZ2 LYS 20 2HZ LYS 20 11.693 -5.285 4.103
148 HZ3 LYS 20 3HZ LYS 20 11.285 -6.683 4.918
149 H ARG 21 H ARG 21 6.568 -0.842 4.703
150 HA ARG 21 HA ARG 21 3.752 -1.734 5.106
151 HB2 ARG 21 2HB ARG 21 3.275 -0.383 6.769
152 HB3 ARG 21 3HB ARG 21 4.977 -0.434 7.112
153 HG2 ARG 21 2HG ARG 21 5.217 1.803 5.922
154 HG3 ARG 21 3HG ARG 21 3.451 1.817 5.755
155 HD2 ARG 21 2HD ARG 21 3.345 1.381 8.289
156 HD3 ARG 21 3HD ARG 21 5.043 1.812 8.341
157 HE ARG 21 HE ARG 21 2.729 3.561 7.590
158 HH11 ARG 21 1HH1 ARG 21 6.224 3.520 8.104
159 HH12 ARG 21 2HH1 ARG 21 6.246 5.245 8.388
160 HH21 ARG 21 1HH2 ARG 21 2.839 5.629 8.445
161 HH22 ARG 21 2HH2 ARG 21 4.394 6.380 8.596
162 H CYS 22 H CYS 22 2.218 0.170 4.289
163 HA CYS 22 HA CYS 22 3.077 1.288 1.762
164 HB2 CYS 22 2HB CYS 22 0.811 2.116 3.616
165 HB3 CYS 22 3HB CYS 22 1.086 2.728 1.969
166 H GLY 23 H GLY 23 2.119 3.952 3.649
167 HA2 GLY 23 2HA GLY 23 3.230 5.909 4.246
168 HA3 GLY 23 3HA GLY 23 4.076 4.749 5.256
169 H THR 24 H THR 24 6.196 4.165 4.748
170 HA THR 24 HA THR 24 7.864 5.982 3.196
171 HB THR 24 HB THR 24 9.676 4.443 4.112
172 HG1 THR 24 HG1 THR 24 8.921 3.029 5.763
173 HG21 THR 24 1HG2 THR 24 9.478 5.192 6.411
174 HG22 THR 24 2HG2 THR 24 8.923 6.488 5.342
175 HG23 THR 24 3HG2 THR 24 7.740 5.498 6.219
176 H CYS 25 H CYS 25 6.053 3.462 2.113
177 HA CYS 25 HA CYS 25 7.576 1.593 0.883
178 HB2 CYS 25 2HB CYS 25 5.157 1.503 1.045
179 HB3 CYS 25 3HB CYS 25 4.963 2.839 -0.088
180 H ARG 26 H ARG 26 7.343 4.821 -0.345
181 HA ARG 26 HA ARG 26 8.031 5.936 -2.151
182 HB2 ARG 26 2HB ARG 26 9.568 3.525 -3.184
183 HB3 ARG 26 3HB ARG 26 9.717 5.215 -3.651
184 HG2 ARG 26 2HG ARG 26 10.019 5.409 -0.938
185 HG3 ARG 26 3HG ARG 26 10.711 3.815 -1.207
186 HD2 ARG 26 2HD ARG 26 12.376 4.634 -2.698
187 HD3 ARG 26 3HD ARG 26 11.546 6.178 -2.914
188 HE ARG 26 HE ARG 26 12.343 5.637 -0.144
189 HH11 ARG 26 1HH1 ARG 26 13.464 7.261 -3.061
190 HH12 ARG 26 2HH1 ARG 26 14.142 8.583 -2.124
191 HH21 ARG 26 1HH2 ARG 26 13.693 6.937 0.838
192 HH22 ARG 26 2HH2 ARG 26 14.203 8.442 0.108
193 H GLN 27 H GLN 27 6.160 3.123 -2.497
194 HA GLN 27 HA GLN 27 4.939 4.309 -4.949
195 HB2 GLN 27 2HB GLN 27 4.425 1.733 -3.460
196 HB3 GLN 27 3HB GLN 27 3.488 2.275 -4.850
197 HG2 GLN 27 2HG GLN 27 6.502 1.764 -4.911
198 HG3 GLN 27 3HG GLN 27 5.292 0.571 -5.350
199 HE21 GLN 27 1HE2 GLN 27 3.649 1.368 -7.082
200 HE22 GLN 27 2HE2 GLN 27 4.401 2.216 -8.438
201 H PHE 28 H PHE 28 4.621 4.518 -1.492
202 HA PHE 28 HA PHE 28 1.761 4.969 -1.450
203 HB2 PHE 28 2HB PHE 28 3.103 4.329 0.580
204 HB3 PHE 28 3HB PHE 28 3.869 5.904 0.508
205 HD1 PHE 28 HD1 PHE 28 0.367 4.469 0.464
206 HD2 PHE 28 HD2 PHE 28 2.989 7.575 1.917
207 HE1 PHE 28 HE1 PHE 28 -1.517 5.481 1.714
208 HE2 PHE 28 HE2 PHE 28 1.104 8.566 3.189
209 HZ PHE 28 HZ PHE 28 -1.158 7.529 3.076
210 H ARG 29 H ARG 29 0.617 6.932 -1.250
211 HA ARG 29 HA ARG 29 2.027 9.465 -1.907
212 HB2 ARG 29 2HB ARG 29 1.393 8.336 -4.015
213 HB3 ARG 29 3HB ARG 29 -0.270 8.218 -3.460
214 HG2 ARG 29 2HG ARG 29 -0.175 9.994 -4.981
215 HG3 ARG 29 3HG ARG 29 -0.373 10.705 -3.376
216 HD2 ARG 29 2HD ARG 29 2.144 11.144 -3.364
217 HD3 ARG 29 3HD ARG 29 2.198 10.493 -5.012
218 HE ARG 29 HE ARG 29 0.304 12.720 -4.565
219 HH11 ARG 29 1HH1 ARG 29 3.704 12.141 -5.472
220 HH12 ARG 29 2HH1 ARG 29 3.786 13.753 -6.160
221 HH21 ARG 29 1HH2 ARG 29 0.582 14.614 -5.677
222 HH22 ARG 29 2HH2 ARG 29 2.169 15.091 -6.215
223 HA PRO 30 HA PRO 30 -0.824 10.155 1.478
224 HB2 PRO 30 2HB PRO 30 -0.038 12.642 2.324
225 HB3 PRO 30 3HB PRO 30 0.938 11.163 2.585
226 HG2 PRO 30 2HG PRO 30 1.211 13.213 0.361
227 HG3 PRO 30 3HG PRO 30 2.500 12.552 1.417
228 HD2 PRO 30 2HD PRO 30 2.021 11.559 -1.074
229 HD3 PRO 30 3HD PRO 30 2.495 10.479 0.273
230 HA PRO 31 HA PRO 31 -2.140 11.279 3.022
231 HB2 PRO 31 2HB PRO 31 -4.739 11.594 3.715
232 HB3 PRO 31 3HB PRO 31 -3.615 12.979 3.574
233 HG2 PRO 31 2HG PRO 31 -5.585 11.958 1.490
234 HG3 PRO 31 3HG PRO 31 -5.391 13.635 2.092
235 HD2 PRO 31 2HD PRO 31 -4.168 12.817 -0.194
236 HD3 PRO 31 3HD PRO 31 -3.358 13.916 0.939
237 H SER 32 H SER 32 -4.199 10.094 0.368
238 HA SER 32 HA SER 32 -4.316 7.407 1.567
239 HB2 SER 32 2HB SER 32 -6.245 8.763 2.506
240 HB3 SER 32 3HB SER 32 -6.899 8.833 0.869
241 HG SER 32 HG SER 32 -6.168 6.356 2.045
242 H SER 33 H SER 33 -2.816 7.992 -0.563
243 HA SER 33 HA SER 33 -4.175 6.570 -2.788
244 HB2 SER 33 2HB SER 33 -2.475 9.071 -3.053
245 HB3 SER 33 3HB SER 33 -2.912 8.002 -4.394
246 HG SER 33 HG SER 33 -4.571 9.602 -2.777
247 H CYS 34 H CYS 34 -2.702 5.614 -4.287
248 HA CYS 34 HA CYS 34 0.120 5.188 -3.476
249 HB2 CYS 34 2HB CYS 34 -1.191 3.352 -2.501
250 HB3 CYS 34 3HB CYS 34 -1.908 2.997 -4.074
251 H ILE 35 H ILE 35 1.382 4.363 -5.135
252 HA ILE 35 HA ILE 35 0.682 5.188 -7.913
253 HB ILE 35 HB ILE 35 3.338 4.521 -6.593
254 HG12 ILE 35 2HG1 ILE 35 2.232 7.227 -7.492
255 HG13 ILE 35 3HG1 ILE 35 2.260 6.676 -5.823
256 HG21 ILE 35 1HG2 ILE 35 3.376 4.015 -9.046
257 HG22 ILE 35 2HG2 ILE 35 2.842 5.672 -9.371
258 HG23 ILE 35 3HG2 ILE 35 4.422 5.357 -8.635
259 HD11 ILE 35 1HD1 ILE 35 4.682 7.306 -7.530
260 HD12 ILE 35 2HD1 ILE 35 4.095 8.139 -6.087
261 HD13 ILE 35 3HD1 ILE 35 4.762 6.505 -5.939
262 H THR 36 H THR 36 1.193 2.340 -5.901
263 HA THR 36 HA THR 36 1.270 0.500 -8.244
264 HB THR 36 HB THR 36 0.924 -0.108 -5.291
265 HG1 THR 36 HG1 THR 36 2.915 -0.191 -5.129
266 HG21 THR 36 1HG2 THR 36 0.153 -1.959 -6.781
267 HG22 THR 36 2HG2 THR 36 1.736 -1.959 -7.576
268 HG23 THR 36 3HG2 THR 36 1.587 -2.362 -5.841
269 H VAL 37 H VAL 37 -0.896 1.195 -5.445
270 HA VAL 37 HA VAL 37 -2.969 -0.366 -6.858
271 HB VAL 37 HB VAL 37 -3.945 -0.893 -4.755
272 HG11 VAL 37 1HG1 VAL 37 -0.947 -1.357 -4.620
273 HG12 VAL 37 2HG1 VAL 37 -2.205 -2.310 -3.849
274 HG13 VAL 37 3HG1 VAL 37 -2.095 -2.282 -5.625
275 HG21 VAL 37 1HG2 VAL 37 -3.428 1.160 -3.459
276 HG22 VAL 37 2HG2 VAL 37 -2.964 -0.326 -2.619
277 HG23 VAL 37 3HG2 VAL 37 -1.721 0.656 -3.395
278 H GLU 38 H GLU 38 -5.140 0.012 -6.586
279 HA GLU 38 HA GLU 38 -6.419 2.421 -7.016
280 HB2 GLU 38 2HB GLU 38 -7.081 -0.235 -5.768
281 HB3 GLU 38 3HB GLU 38 -8.261 1.029 -5.549
282 HG2 GLU 38 2HG GLU 38 -7.175 0.394 -8.308
283 HG3 GLU 38 3HG GLU 38 -8.482 -0.551 -7.589
284 H SER 39 H SER 39 -7.951 3.590 -5.726
285 HA SER 39 HA SER 39 -7.150 4.044 -2.885
286 HB2 SER 39 2HB SER 39 -7.875 6.397 -3.147
287 HB3 SER 39 3HB SER 39 -6.499 6.000 -4.176
288 HG SER 39 HG SER 39 -7.743 6.084 -5.939
289 HA PRO 40 HA PRO 40 -8.325 5.597 -1.160
290 HB2 PRO 40 2HB PRO 40 -9.521 4.875 1.180
291 HB3 PRO 40 3HB PRO 40 -10.223 6.085 0.065
292 HG2 PRO 40 2HG PRO 40 -10.888 3.126 0.261
293 HG3 PRO 40 3HG PRO 40 -12.024 4.516 0.250
294 HD2 PRO 40 2HD PRO 40 -11.468 3.123 -2.016
295 HD3 PRO 40 3HD PRO 40 -11.673 4.899 -2.061
296 H ILE 41 H ILE 41 -6.694 5.069 0.300
297 HA ILE 41 HA ILE 41 -6.120 2.270 1.002
298 HB ILE 41 HB ILE 41 -5.337 2.346 -1.220
299 HG12 ILE 41 2HG1 ILE 41 -3.906 1.258 0.603
300 HG13 ILE 41 3HG1 ILE 41 -3.299 1.408 -1.023
301 HG21 ILE 41 1HG2 ILE 41 -3.719 4.820 -0.557
302 HG22 ILE 41 2HG2 ILE 41 -3.595 3.862 -2.053
303 HG23 ILE 41 3HG2 ILE 41 -5.099 4.700 -1.672
304 HD11 ILE 41 1HD1 ILE 41 -1.790 3.189 -0.457
305 HD12 ILE 41 2HD1 ILE 41 -2.475 3.354 1.155
306 HD13 ILE 41 3HD1 ILE 41 -1.584 1.887 0.712
307 H SER 42 H SER 42 -4.468 2.038 2.603
308 HA SER 42 HA SER 42 -4.415 4.417 4.393
309 HB2 SER 42 2HB SER 42 -5.542 2.225 4.965
310 HB3 SER 42 3HB SER 42 -3.934 1.509 5.097
311 HG SER 42 HG SER 42 -3.901 2.304 7.011
312 H GLU 43 H GLU 43 -2.559 4.971 5.636
313 HA GLU 43 HA GLU 43 -0.075 4.735 4.211
314 HB2 GLU 43 2HB GLU 43 0.901 6.079 5.898
315 HB3 GLU 43 3HB GLU 43 -0.679 6.742 5.508
316 HG2 GLU 43 2HG GLU 43 -1.552 6.270 7.552
317 HG3 GLU 43 3HG GLU 43 -0.599 4.827 7.811
318 H ASN 44 H ASN 44 -1.347 2.335 6.019
319 HA ASN 44 HA ASN 44 1.299 1.286 6.942
320 HB2 ASN 44 2HB ASN 44 -0.002 0.155 8.746
321 HB3 ASN 44 3HB ASN 44 -0.036 1.910 8.859
322 HD21 ASN 44 1HD2 ASN 44 -1.703 1.128 10.373
323 HD22 ASN 44 2HD2 ASN 44 -3.308 1.411 9.687
324 H GLY 45 H GLY 45 -1.833 0.333 5.548
325 HA2 GLY 45 2HA GLY 45 -1.432 -2.441 5.581
326 HA3 GLY 45 3HA GLY 45 -2.639 -1.570 4.653
327 H TRP 46 H TRP 46 0.723 -2.504 4.684
328 HA TRP 46 HA TRP 46 1.812 -2.291 2.237
329 HB2 TRP 46 2HB TRP 46 2.816 -3.357 4.237
330 HB3 TRP 46 3HB TRP 46 1.713 -4.692 4.087
331 HD1 TRP 46 HD1 TRP 46 4.843 -3.273 2.405
332 HE1 TRP 46 HE1 TRP 46 6.032 -5.158 1.136
333 HE3 TRP 46 HE3 TRP 46 1.290 -6.920 2.834
334 HZ2 TRP 46 HZ2 TRP 46 5.591 -7.977 0.585
335 HZ3 TRP 46 HZ3 TRP 46 1.658 -9.164 1.842
336 HH2 TRP 46 HH2 TRP 46 3.810 -9.710 0.731
337 H CYS 47 H CYS 47 1.827 -3.197 0.243
338 HA CYS 47 HA CYS 47 0.251 -5.661 -0.306
339 HB2 CYS 47 2HB CYS 47 -0.425 -4.820 -2.407
340 HB3 CYS 47 3HB CYS 47 -0.586 -3.397 -1.358
341 H ARG 48 H ARG 48 1.138 -6.770 -2.332
342 HA ARG 48 HA ARG 48 3.800 -7.620 -1.588
343 HB2 ARG 48 2HB ARG 48 2.045 -8.400 -3.954
344 HB3 ARG 48 3HB ARG 48 3.478 -9.272 -3.418
345 HG2 ARG 48 2HG ARG 48 2.419 -9.975 -1.373
346 HG3 ARG 48 3HG ARG 48 1.038 -8.905 -1.630
347 HD2 ARG 48 2HD ARG 48 0.424 -11.194 -2.180
348 HD3 ARG 48 3HD ARG 48 0.345 -10.161 -3.602
349 HE ARG 48 HE ARG 48 2.402 -12.259 -3.022
350 HH11 ARG 48 1HH1 ARG 48 0.712 -10.514 -5.565
351 HH12 ARG 48 2HH1 ARG 48 1.986 -10.925 -6.725
352 HH21 ARG 48 1HH2 ARG 48 3.840 -12.794 -4.645
353 HH22 ARG 48 2HH2 ARG 48 3.480 -12.238 -6.284
354 H LEU 49 H LEU 49 2.968 -5.074 -3.649
355 HA LEU 49 HA LEU 49 5.133 -5.678 -5.626
356 HB2 LEU 49 2HB LEU 49 2.441 -4.368 -6.060
357 HB3 LEU 49 3HB LEU 49 3.653 -4.654 -7.306
358 HG LEU 49 HG LEU 49 2.108 -6.786 -5.777
359 HD11 LEU 49 1HD1 LEU 49 2.016 -5.925 -8.697
360 HD12 LEU 49 2HD1 LEU 49 1.054 -7.216 -7.946
361 HD13 LEU 49 3HD1 LEU 49 0.802 -5.527 -7.466
362 HD21 LEU 49 1HD2 LEU 49 4.334 -7.673 -6.347
363 HD22 LEU 49 2HD2 LEU 49 3.116 -8.377 -7.410
364 HD23 LEU 49 3HD2 LEU 49 4.165 -7.078 -8.013
365 H TYR 50 H TYR 50 5.325 -3.901 -3.220
366 HA TYR 50 HA TYR 50 5.615 -1.191 -3.822
367 HB2 TYR 50 2HB TYR 50 7.255 -1.227 -1.935
368 HB3 TYR 50 3HB TYR 50 5.717 -2.002 -1.598
369 HD1 TYR 50 HD1 TYR 50 9.348 -2.629 -2.219
370 HD2 TYR 50 HD2 TYR 50 5.538 -4.326 -1.160
371 HE1 TYR 50 HE1 TYR 50 10.479 -4.740 -1.536
372 HE2 TYR 50 HE2 TYR 50 6.665 -6.496 -0.607
373 HH TYR 50 HH TYR 50 8.635 -7.620 -0.444
374 H ALA 51 H ALA 51 7.708 0.033 -3.789
375 HA ALA 51 HA ALA 51 9.638 -0.952 -5.845
376 HB1 ALA 51 1HB ALA 51 9.000 1.890 -4.936
377 HB2 ALA 51 2HB ALA 51 10.152 1.431 -6.199
378 HB3 ALA 51 3HB ALA 51 8.428 1.115 -6.439
379 H GLY 52 H GLY 52 11.902 -0.234 -5.552
380 HA2 GLY 52 2HA GLY 52 12.982 -0.891 -2.996
381 HA3 GLY 52 3HA GLY 52 13.879 -0.278 -4.376
382 H LYS 53 H LYS 53 14.367 0.411 -1.623
383 HA LYS 53 HA LYS 53 13.529 3.236 -1.350
384 HB2 LYS 53 2HB LYS 53 14.227 1.066 0.651
385 HB3 LYS 53 3HB LYS 53 14.280 2.770 1.082
386 HG2 LYS 53 2HG LYS 53 12.247 1.781 1.849
387 HG3 LYS 53 3HG LYS 53 11.900 3.024 0.644
388 HD2 LYS 53 2HD LYS 53 11.348 1.426 -1.013
389 HD3 LYS 53 3HD LYS 53 12.098 0.093 -0.104
390 HE2 LYS 53 2HE LYS 53 10.346 0.368 1.662
391 HE3 LYS 53 3HE LYS 53 9.588 1.622 0.666
392 HZ1 LYS 53 1HZ LYS 53 9.996 -1.218 -0.086
393 HZ2 LYS 53 2HZ LYS 53 8.536 -0.535 0.255
394 HZ3 LYS 53 3HZ LYS 53 9.386 -0.080 -1.100
395 H ALA 54 H ALA 54 14.970 4.535 -0.365
396 HA ALA 54 HA ALA 54 17.697 4.469 -1.571
397 HB1 ALA 54 1HB ALA 54 16.212 6.379 -2.140
398 HB2 ALA 54 2HB ALA 54 16.231 6.859 -0.419
399 HB3 ALA 54 3HB ALA 54 17.728 6.870 -1.362
Start of MODEL 15
1 H1 VAL 1 1H VAL 1 -4.944 8.405 -16.215
2 H2 VAL 1 2H VAL 1 -5.325 9.646 -17.212
3 H3 VAL 1 3H VAL 1 -4.949 8.168 -17.841
4 HA VAL 1 HA VAL 1 -7.289 8.907 -16.233
5 HB VAL 1 HB VAL 1 -7.521 9.611 -18.499
6 HG11 VAL 1 1HG1 VAL 1 -7.663 8.097 -20.403
7 HG12 VAL 1 2HG1 VAL 1 -6.047 8.059 -19.716
8 HG13 VAL 1 3HG1 VAL 1 -7.183 6.718 -19.405
9 HG21 VAL 1 1HG2 VAL 1 -9.500 8.793 -17.272
10 HG22 VAL 1 2HG2 VAL 1 -9.653 8.561 -19.017
11 HG23 VAL 1 3HG2 VAL 1 -9.278 7.176 -17.980
12 H THR 2 H THR 2 -5.651 6.051 -17.759
13 HA THR 2 HA THR 2 -7.392 4.089 -16.741
14 HB THR 2 HB THR 2 -4.390 3.890 -17.176
15 HG1 THR 2 HG1 THR 2 -4.780 3.743 -19.197
16 HG21 THR 2 1HG2 THR 2 -4.911 1.552 -17.823
17 HG22 THR 2 2HG2 THR 2 -5.321 1.860 -16.132
18 HG23 THR 2 3HG2 THR 2 -6.610 1.801 -17.360
19 H LYS 3 H LYS 3 -7.825 3.361 -14.757
20 HA LYS 3 HA LYS 3 -6.191 4.339 -12.489
21 HB2 LYS 3 2HB LYS 3 -8.707 4.848 -13.025
22 HB3 LYS 3 3HB LYS 3 -9.016 3.266 -12.301
23 HG2 LYS 3 2HG LYS 3 -7.967 3.990 -10.234
24 HG3 LYS 3 3HG LYS 3 -7.413 5.505 -10.983
25 HD2 LYS 3 2HD LYS 3 -9.754 6.208 -11.307
26 HD3 LYS 3 3HD LYS 3 -10.320 4.751 -10.492
27 HE2 LYS 3 2HE LYS 3 -8.415 6.797 -9.236
28 HE3 LYS 3 3HE LYS 3 -10.172 6.886 -9.063
29 HZ1 LYS 3 1HZ LYS 3 -8.542 4.571 -8.182
30 HZ2 LYS 3 2HZ LYS 3 -9.072 5.724 -7.178
31 HZ3 LYS 3 3HZ LYS 3 -10.151 4.750 -7.967
32 H LYS 4 H LYS 4 -5.550 3.059 -10.747
33 HA LYS 4 HA LYS 4 -4.419 0.653 -11.627
34 HB2 LYS 4 2HB LYS 4 -4.383 2.414 -9.217
35 HB3 LYS 4 3HB LYS 4 -3.839 0.792 -8.896
36 HG2 LYS 4 2HG LYS 4 -2.793 2.314 -11.301
37 HG3 LYS 4 3HG LYS 4 -2.151 2.539 -9.687
38 HD2 LYS 4 2HD LYS 4 -1.641 0.099 -9.563
39 HD3 LYS 4 3HD LYS 4 -2.380 -0.149 -11.151
40 HE2 LYS 4 2HE LYS 4 -0.642 1.398 -12.136
41 HE3 LYS 4 3HE LYS 4 0.116 1.447 -10.548
42 HZ1 LYS 4 1HZ LYS 4 0.096 -1.107 -10.771
43 HZ2 LYS 4 2HZ LYS 4 -0.109 -0.881 -12.359
44 HZ3 LYS 4 3HZ LYS 4 1.235 -0.252 -11.610
45 H ALA 5 H ALA 5 -3.971 -1.108 -10.009
46 HA ALA 5 HA ALA 5 -6.157 -2.952 -9.835
47 HB1 ALA 5 1HB ALA 5 -3.359 -2.887 -8.598
48 HB2 ALA 5 2HB ALA 5 -4.399 -4.311 -8.683
49 HB3 ALA 5 3HB ALA 5 -3.785 -3.588 -10.177
50 H SER 6 H SER 6 -7.500 -3.412 -8.155
51 HA SER 6 HA SER 6 -7.721 -1.806 -5.790
52 HB2 SER 6 2HB SER 6 -9.384 -3.338 -5.084
53 HB3 SER 6 3HB SER 6 -9.536 -3.218 -6.834
54 HG SER 6 HG SER 6 -9.650 -5.344 -6.245
55 H HIS 7 H HIS 7 -7.480 -2.652 -3.529
56 HA HIS 7 HA HIS 7 -4.703 -3.186 -3.082
57 HB2 HIS 7 2HB HIS 7 -6.795 -3.693 -0.970
58 HB3 HIS 7 3HB HIS 7 -5.199 -2.975 -0.802
59 HD2 HIS 7 HD2 HIS 7 -5.767 -0.590 -3.097
60 HE1 HIS 7 HE1 HIS 7 -8.840 0.612 -0.409
61 HE2 HIS 7 HE2 HIS 7 -7.323 1.376 -2.300
62 H LYS 8 H LYS 8 -7.459 -5.203 -3.133
63 HA LYS 8 HA LYS 8 -6.356 -7.755 -2.298
64 HB2 LYS 8 2HB LYS 8 -8.755 -7.228 -2.210
65 HB3 LYS 8 3HB LYS 8 -8.800 -7.114 -3.971
66 HG2 LYS 8 2HG LYS 8 -9.631 -9.222 -3.349
67 HG3 LYS 8 3HG LYS 8 -8.089 -9.510 -4.123
68 HD2 LYS 8 2HD LYS 8 -7.003 -9.902 -1.956
69 HD3 LYS 8 3HD LYS 8 -8.473 -9.428 -1.097
70 HE2 LYS 8 2HE LYS 8 -8.276 -11.824 -1.035
71 HE3 LYS 8 3HE LYS 8 -9.664 -11.389 -2.039
72 HZ1 LYS 8 1HZ LYS 8 -8.303 -13.135 -3.056
73 HZ2 LYS 8 2HZ LYS 8 -8.304 -11.813 -4.007
74 HZ3 LYS 8 3HZ LYS 8 -6.982 -12.162 -3.077
75 H ASP 9 H ASP 9 -7.177 -6.557 -5.566
76 HA ASP 9 HA ASP 9 -5.936 -8.539 -7.149
77 HB2 ASP 9 2HB ASP 9 -7.385 -6.525 -7.783
78 HB3 ASP 9 3HB ASP 9 -5.924 -5.586 -7.762
79 H ALA 10 H ALA 10 -4.489 -5.623 -5.733
80 HA ALA 10 HA ALA 10 -1.782 -6.112 -6.556
81 HB1 ALA 10 1HB ALA 10 -2.981 -4.355 -4.380
82 HB2 ALA 10 2HB ALA 10 -1.311 -4.283 -4.944
83 HB3 ALA 10 3HB ALA 10 -2.639 -3.888 -6.062
84 H GLY 11 H GLY 11 -3.506 -7.824 -4.180
85 HA2 GLY 11 2HA GLY 11 -2.781 -9.529 -2.851
86 HA3 GLY 11 3HA GLY 11 -1.110 -9.226 -3.328
87 H TYR 12 H TYR 12 -3.149 -6.736 -1.790
88 HA TYR 12 HA TYR 12 -1.180 -6.319 0.197
89 HB2 TYR 12 2HB TYR 12 -2.146 -4.438 0.653
90 HB3 TYR 12 3HB TYR 12 -3.009 -4.689 -0.825
91 HD1 TYR 12 HD1 TYR 12 -5.275 -6.459 -0.115
92 HD2 TYR 12 HD2 TYR 12 -3.403 -3.347 2.190
93 HE1 TYR 12 HE1 TYR 12 -7.374 -6.151 1.198
94 HE2 TYR 12 HE2 TYR 12 -5.489 -3.026 3.487
95 HH TYR 12 HH TYR 12 -7.626 -3.696 3.808
96 H GLN 13 H GLN 13 -1.268 -6.257 2.391
97 HA GLN 13 HA GLN 13 -3.170 -8.076 3.769
98 HB2 GLN 13 2HB GLN 13 -1.344 -8.086 5.612
99 HB3 GLN 13 3HB GLN 13 -1.216 -9.200 4.259
100 HG2 GLN 13 2HG GLN 13 0.492 -7.860 3.182
101 HG3 GLN 13 3HG GLN 13 0.266 -6.557 4.359
102 HE21 GLN 13 1HE2 GLN 13 2.015 -6.361 5.456
103 HE22 GLN 13 2HE2 GLN 13 2.718 -7.676 6.364
104 H GLU 14 H GLU 14 -4.204 -7.232 5.487
105 HA GLU 14 HA GLU 14 -4.536 -4.411 5.730
106 HB2 GLU 14 2HB GLU 14 -6.108 -5.008 7.488
107 HB3 GLU 14 3HB GLU 14 -6.216 -6.123 6.117
108 HG2 GLU 14 2HG GLU 14 -4.867 -7.799 7.314
109 HG3 GLU 14 3HG GLU 14 -4.696 -6.699 8.682
110 H SER 15 H SER 15 -1.837 -5.646 6.447
111 HA SER 15 HA SER 15 -1.193 -3.870 8.690
112 HB2 SER 15 2HB SER 15 0.275 -5.751 9.680
113 HB3 SER 15 3HB SER 15 -1.442 -5.755 9.996
114 HG SER 15 HG SER 15 -1.543 -7.636 9.076
115 HA PRO 16 HA PRO 16 2.778 -3.206 6.719
116 HB2 PRO 16 2HB PRO 16 3.944 -3.590 9.456
117 HB3 PRO 16 3HB PRO 16 4.232 -2.267 8.316
118 HG2 PRO 16 2HG PRO 16 2.612 -1.899 10.468
119 HG3 PRO 16 3HG PRO 16 2.122 -1.245 8.874
120 HD2 PRO 16 2HD PRO 16 1.180 -3.814 10.197
121 HD3 PRO 16 3HD PRO 16 0.247 -2.554 9.355
122 H ASN 17 H ASN 17 4.588 -4.374 6.041
123 HA ASN 17 HA ASN 17 4.954 -7.204 6.930
124 HB2 ASN 17 2HB ASN 17 4.719 -7.094 4.558
125 HB3 ASN 17 3HB ASN 17 5.743 -5.676 4.445
126 HD21 ASN 17 1HD2 ASN 17 6.862 -7.018 2.762
127 HD22 ASN 17 2HD2 ASN 17 8.125 -8.097 3.344
128 H GLY 18 H GLY 18 5.810 -6.633 8.942
129 HA2 GLY 18 2HA GLY 18 7.391 -6.027 10.478
130 HA3 GLY 18 3HA GLY 18 8.563 -6.421 9.218
131 H ALA 19 H ALA 19 9.893 -4.864 8.664
132 HA ALA 19 HA ALA 19 9.683 -2.151 9.594
133 HB1 ALA 19 1HB ALA 19 11.628 -3.458 7.650
134 HB2 ALA 19 2HB ALA 19 11.845 -1.885 8.446
135 HB3 ALA 19 3HB ALA 19 11.806 -3.358 9.421
136 H LYS 20 H LYS 20 8.159 -3.491 6.790
137 HA LYS 20 HA LYS 20 8.052 -0.763 5.539
138 HB2 LYS 20 2HB LYS 20 7.423 -3.370 4.135
139 HB3 LYS 20 3HB LYS 20 7.623 -1.766 3.451
140 HG2 LYS 20 2HG LYS 20 9.661 -2.494 2.901
141 HG3 LYS 20 3HG LYS 20 10.113 -2.068 4.549
142 HD2 LYS 20 2HD LYS 20 9.729 -4.442 5.232
143 HD3 LYS 20 3HD LYS 20 9.146 -4.809 3.602
144 HE2 LYS 20 2HE LYS 20 11.450 -4.003 2.765
145 HE3 LYS 20 3HE LYS 20 11.978 -4.102 4.456
146 HZ1 LYS 20 1HZ LYS 20 10.776 -6.301 2.876
147 HZ2 LYS 20 2HZ LYS 20 12.368 -6.221 3.201
148 HZ3 LYS 20 3HZ LYS 20 11.253 -6.462 4.419
149 H ARG 21 H ARG 21 6.201 0.259 5.420
150 HA ARG 21 HA ARG 21 3.676 -1.258 5.095
151 HB2 ARG 21 2HB ARG 21 2.453 -0.118 6.647
152 HB3 ARG 21 3HB ARG 21 3.979 -0.250 7.507
153 HG2 ARG 21 2HG ARG 21 4.575 2.068 6.841
154 HG3 ARG 21 3HG ARG 21 3.025 2.186 5.985
155 HD2 ARG 21 2HD ARG 21 1.851 1.723 8.166
156 HD3 ARG 21 3HD ARG 21 3.394 1.870 8.981
157 HE ARG 21 HE ARG 21 1.817 3.977 7.623
158 HH11 ARG 21 1HH1 ARG 21 4.854 3.300 9.332
159 HH12 ARG 21 2HH1 ARG 21 5.236 5.001 9.460
160 HH21 ARG 21 1HH2 ARG 21 2.208 6.056 8.212
161 HH22 ARG 21 2HH2 ARG 21 3.697 6.499 9.001
162 H CYS 22 H CYS 22 1.956 0.361 3.983
163 HA CYS 22 HA CYS 22 2.903 1.544 1.712
164 HB2 CYS 22 2HB CYS 22 0.521 2.283 3.470
165 HB3 CYS 22 3HB CYS 22 0.740 2.782 1.783
166 H GLY 23 H GLY 23 2.176 3.443 4.676
167 HA2 GLY 23 2HA GLY 23 3.292 5.915 4.020
168 HA3 GLY 23 3HA GLY 23 3.200 5.192 5.622
169 H THR 24 H THR 24 5.163 2.986 4.364
170 HA THR 24 HA THR 24 7.648 4.563 4.130
171 HB THR 24 HB THR 24 8.889 2.803 5.396
172 HG1 THR 24 HG1 THR 24 7.525 1.754 6.974
173 HG21 THR 24 1HG2 THR 24 8.393 3.730 7.566
174 HG22 THR 24 2HG2 THR 24 8.244 5.020 6.369
175 HG23 THR 24 3HG2 THR 24 6.782 4.263 7.040
176 H CYS 25 H CYS 25 5.794 3.249 2.186
177 HA CYS 25 HA CYS 25 7.335 1.130 0.923
178 HB2 CYS 25 2HB CYS 25 4.904 1.151 0.844
179 HB3 CYS 25 3HB CYS 25 4.891 2.703 0.034
180 H ARG 26 H ARG 26 7.371 1.548 -1.636
181 HA ARG 26 HA ARG 26 9.480 3.658 -1.977
182 HB2 ARG 26 2HB ARG 26 9.007 1.161 -3.629
183 HB3 ARG 26 3HB ARG 26 10.298 2.355 -3.864
184 HG2 ARG 26 2HG ARG 26 11.090 1.846 -1.495
185 HG3 ARG 26 3HG ARG 26 9.878 0.561 -1.441
186 HD2 ARG 26 2HD ARG 26 11.787 -0.596 -2.033
187 HD3 ARG 26 3HD ARG 26 10.979 -0.351 -3.586
188 HE ARG 26 HE ARG 26 12.742 1.837 -3.272
189 HH11 ARG 26 1HH1 ARG 26 13.167 -1.582 -3.944
190 HH12 ARG 26 2HH1 ARG 26 14.917 -1.377 -3.976
191 HH21 ARG 26 1HH2 ARG 26 14.863 1.972 -3.733
192 HH22 ARG 26 2HH2 ARG 26 15.792 0.488 -3.982
193 H GLN 27 H GLN 27 6.182 3.209 -2.851
194 HA GLN 27 HA GLN 27 6.443 5.721 -4.316
195 HB2 GLN 27 2HB GLN 27 6.755 3.702 -5.966
196 HB3 GLN 27 3HB GLN 27 5.008 3.544 -5.848
197 HG2 GLN 27 2HG GLN 27 5.616 4.835 -7.813
198 HG3 GLN 27 3HG GLN 27 4.810 5.913 -6.683
199 HE21 GLN 27 1HE2 GLN 27 5.899 7.781 -6.017
200 HE22 GLN 27 2HE2 GLN 27 7.554 8.125 -6.476
201 H PHE 28 H PHE 28 5.137 5.191 -1.838
202 HA PHE 28 HA PHE 28 2.263 5.020 -2.116
203 HB2 PHE 28 2HB PHE 28 3.453 4.523 -0.079
204 HB3 PHE 28 3HB PHE 28 4.069 6.170 0.017
205 HD1 PHE 28 HD1 PHE 28 0.841 4.238 0.061
206 HD2 PHE 28 HD2 PHE 28 2.926 7.804 1.290
207 HE1 PHE 28 HE1 PHE 28 -1.033 4.824 1.572
208 HE2 PHE 28 HE2 PHE 28 1.021 8.418 2.741
209 HZ PHE 28 HZ PHE 28 -0.964 6.912 2.912
210 H ARG 29 H ARG 29 0.668 6.761 -1.699
211 HA ARG 29 HA ARG 29 1.600 9.426 -2.673
212 HB2 ARG 29 2HB ARG 29 0.565 8.031 -4.430
213 HB3 ARG 29 3HB ARG 29 -0.909 7.931 -3.486
214 HG2 ARG 29 2HG ARG 29 -1.176 9.583 -5.191
215 HG3 ARG 29 3HG ARG 29 -1.144 10.375 -3.611
216 HD2 ARG 29 2HD ARG 29 1.251 11.007 -4.012
217 HD3 ARG 29 3HD ARG 29 1.202 10.173 -5.565
218 HE ARG 29 HE ARG 29 -0.730 12.379 -5.059
219 HH11 ARG 29 1HH1 ARG 29 2.267 11.486 -6.735
220 HH12 ARG 29 2HH1 ARG 29 2.198 12.925 -7.720
221 HH21 ARG 29 1HH2 ARG 29 -0.785 14.084 -6.453
222 HH22 ARG 29 2HH2 ARG 29 0.532 14.319 -7.585
223 HA PRO 30 HA PRO 30 -0.495 10.262 1.261
224 HB2 PRO 30 2HB PRO 30 0.488 12.783 1.749
225 HB3 PRO 30 3HB PRO 30 1.412 11.277 2.043
226 HG2 PRO 30 2HG PRO 30 1.522 13.078 -0.398
227 HG3 PRO 30 3HG PRO 30 2.893 12.437 0.567
228 HD2 PRO 30 2HD PRO 30 2.081 11.248 -1.729
229 HD3 PRO 30 3HD PRO 30 2.626 10.263 -0.335
230 HA PRO 31 HA PRO 31 -1.575 11.747 2.864
231 HB2 PRO 31 2HB PRO 31 -4.125 11.928 3.768
232 HB3 PRO 31 3HB PRO 31 -3.180 13.372 3.297
233 HG2 PRO 31 2HG PRO 31 -5.160 11.839 1.571
234 HG3 PRO 31 3HG PRO 31 -5.150 13.586 1.951
235 HD2 PRO 31 2HD PRO 31 -3.992 12.649 -0.325
236 HD3 PRO 31 3HD PRO 31 -3.211 13.951 0.610
237 H SER 32 H SER 32 -3.828 10.031 0.675
238 HA SER 32 HA SER 32 -3.713 7.560 2.308
239 HB2 SER 32 2HB SER 32 -6.153 7.539 2.579
240 HB3 SER 32 3HB SER 32 -5.449 8.960 3.362
241 HG SER 32 HG SER 32 -6.659 8.842 0.804
242 H SER 33 H SER 33 -2.617 7.778 -0.244
243 HA SER 33 HA SER 33 -4.332 5.909 -1.790
244 HB2 SER 33 2HB SER 33 -3.189 8.522 -2.852
245 HB3 SER 33 3HB SER 33 -3.773 7.196 -3.876
246 HG SER 33 HG SER 33 -5.209 8.788 -2.051
247 H CYS 34 H CYS 34 -3.096 4.917 -3.631
248 HA CYS 34 HA CYS 34 -0.121 5.009 -3.244
249 HB2 CYS 34 2HB CYS 34 -1.171 2.939 -2.394
250 HB3 CYS 34 3HB CYS 34 -1.840 2.632 -3.988
251 H ILE 35 H ILE 35 0.811 3.868 -5.279
252 HA ILE 35 HA ILE 35 -0.199 5.157 -7.805
253 HB ILE 35 HB ILE 35 2.681 4.877 -6.878
254 HG12 ILE 35 2HG1 ILE 35 1.563 6.805 -5.873
255 HG13 ILE 35 3HG1 ILE 35 2.842 7.279 -6.955
256 HG21 ILE 35 1HG2 ILE 35 1.625 5.768 -9.579
257 HG22 ILE 35 2HG2 ILE 35 3.286 6.051 -9.012
258 HG23 ILE 35 3HG2 ILE 35 2.702 4.404 -9.231
259 HD11 ILE 35 1HD1 ILE 35 1.181 7.891 -8.705
260 HD12 ILE 35 2HD1 ILE 35 -0.138 7.385 -7.624
261 HD13 ILE 35 3HD1 ILE 35 0.888 8.758 -7.199
262 H THR 36 H THR 36 1.863 2.566 -6.409
263 HA THR 36 HA THR 36 1.555 0.811 -8.716
264 HB THR 36 HB THR 36 2.497 -0.779 -6.682
265 HG1 THR 36 HG1 THR 36 2.842 0.608 -5.083
266 HG21 THR 36 1HG2 THR 36 4.047 1.192 -8.409
267 HG22 THR 36 2HG2 THR 36 4.735 -0.213 -7.569
268 HG23 THR 36 3HG2 THR 36 3.554 -0.464 -8.852
269 H VAL 37 H VAL 37 -0.305 1.552 -5.957
270 HA VAL 37 HA VAL 37 -2.325 -0.525 -6.653
271 HB VAL 37 HB VAL 37 -1.535 0.376 -3.837
272 HG11 VAL 37 1HG1 VAL 37 -3.568 -1.679 -4.782
273 HG12 VAL 37 2HG1 VAL 37 -2.940 -1.565 -3.114
274 HG13 VAL 37 3HG1 VAL 37 -3.828 -0.215 -3.777
275 HG21 VAL 37 1HG2 VAL 37 0.215 -1.048 -4.604
276 HG22 VAL 37 2HG2 VAL 37 -0.820 -2.060 -3.621
277 HG23 VAL 37 3HG2 VAL 37 -0.919 -2.145 -5.403
278 H GLU 38 H GLU 38 -4.515 0.218 -5.729
279 HA GLU 38 HA GLU 38 -5.270 2.532 -7.017
280 HB2 GLU 38 2HB GLU 38 -6.515 0.502 -5.242
281 HB3 GLU 38 3HB GLU 38 -7.390 2.021 -5.245
282 HG2 GLU 38 2HG GLU 38 -6.511 0.677 -7.804
283 HG3 GLU 38 3HG GLU 38 -8.034 0.284 -7.011
284 H SER 39 H SER 39 -6.700 4.196 -6.373
285 HA SER 39 HA SER 39 -6.068 5.604 -3.828
286 HB2 SER 39 2HB SER 39 -6.786 7.669 -5.007
287 HB3 SER 39 3HB SER 39 -5.325 6.932 -5.687
288 HG SER 39 HG SER 39 -6.735 7.534 -7.365
289 HA PRO 40 HA PRO 40 -7.015 6.391 -2.008
290 HB2 PRO 40 2HB PRO 40 -9.021 5.183 -0.162
291 HB3 PRO 40 3HB PRO 40 -8.293 6.810 -0.127
292 HG2 PRO 40 2HG PRO 40 -10.877 6.443 -0.900
293 HG3 PRO 40 3HG PRO 40 -9.815 7.634 -1.721
294 HD2 PRO 40 2HD PRO 40 -10.457 4.794 -2.588
295 HD3 PRO 40 3HD PRO 40 -10.522 6.297 -3.552
296 H ILE 41 H ILE 41 -6.011 5.244 -0.166
297 HA ILE 41 HA ILE 41 -6.069 2.311 -0.062
298 HB ILE 41 HB ILE 41 -4.140 3.556 -1.607
299 HG12 ILE 41 2HG1 ILE 41 -4.600 1.278 -1.859
300 HG13 ILE 41 3HG1 ILE 41 -2.883 1.479 -1.608
301 HG21 ILE 41 1HG2 ILE 41 -2.673 2.955 0.971
302 HG22 ILE 41 2HG2 ILE 41 -2.001 3.523 -0.540
303 HG23 ILE 41 3HG2 ILE 41 -3.072 4.586 0.377
304 HD11 ILE 41 1HD1 ILE 41 -4.872 0.396 0.432
305 HD12 ILE 41 2HD1 ILE 41 -3.633 -0.504 -0.450
306 HD13 ILE 41 3HD1 ILE 41 -3.141 0.688 0.759
307 H SER 42 H SER 42 -4.883 1.545 1.934
308 HA SER 42 HA SER 42 -5.209 3.401 4.230
309 HB2 SER 42 2HB SER 42 -6.118 1.220 4.416
310 HB3 SER 42 3HB SER 42 -4.581 0.442 3.997
311 HG SER 42 HG SER 42 -4.864 0.370 6.177
312 H GLU 43 H GLU 43 -3.486 4.286 5.363
313 HA GLU 43 HA GLU 43 -0.915 4.263 4.083
314 HB2 GLU 43 2HB GLU 43 -0.147 5.731 5.720
315 HB3 GLU 43 3HB GLU 43 -1.792 6.215 5.350
316 HG2 GLU 43 2HG GLU 43 -2.621 5.468 7.396
317 HG3 GLU 43 3HG GLU 43 -1.256 4.423 7.711
318 H ASN 44 H ASN 44 -2.148 1.859 5.979
319 HA ASN 44 HA ASN 44 0.568 0.881 6.702
320 HB2 ASN 44 2HB ASN 44 -0.380 -0.193 8.677
321 HB3 ASN 44 3HB ASN 44 -0.760 1.526 8.688
322 HD21 ASN 44 1HD2 ASN 44 -2.724 2.082 9.218
323 HD22 ASN 44 2HD2 ASN 44 -4.078 0.963 9.141
324 H GLY 45 H GLY 45 -1.737 0.289 4.427
325 HA2 GLY 45 2HA GLY 45 -2.110 -2.585 4.789
326 HA3 GLY 45 3HA GLY 45 -2.776 -1.560 3.519
327 H TRP 46 H TRP 46 0.454 -2.844 4.530
328 HA TRP 46 HA TRP 46 1.728 -2.377 2.069
329 HB2 TRP 46 2HB TRP 46 2.898 -2.967 4.172
330 HB3 TRP 46 3HB TRP 46 2.288 -4.603 4.048
331 HD1 TRP 46 HD1 TRP 46 4.858 -2.253 2.490
332 HE1 TRP 46 HE1 TRP 46 6.485 -3.563 0.995
333 HE3 TRP 46 HE3 TRP 46 2.570 -6.826 2.583
334 HZ2 TRP 46 HZ2 TRP 46 6.734 -6.219 -0.068
335 HZ3 TRP 46 HZ3 TRP 46 3.482 -8.712 1.255
336 HH2 TRP 46 HH2 TRP 46 5.568 -8.410 -0.082
337 H CYS 47 H CYS 47 2.070 -3.437 0.156
338 HA CYS 47 HA CYS 47 0.713 -6.054 -0.286
339 HB2 CYS 47 2HB CYS 47 -0.249 -5.162 -2.315
340 HB3 CYS 47 3HB CYS 47 -0.435 -3.828 -1.141
341 H ARG 48 H ARG 48 1.374 -7.185 -2.256
342 HA ARG 48 HA ARG 48 4.287 -7.264 -2.462
343 HB2 ARG 48 2HB ARG 48 2.050 -9.024 -3.175
344 HB3 ARG 48 3HB ARG 48 3.123 -8.858 -4.558
345 HG2 ARG 48 2HG ARG 48 4.049 -9.556 -1.748
346 HG3 ARG 48 3HG ARG 48 3.695 -10.757 -2.987
347 HD2 ARG 48 2HD ARG 48 5.698 -8.552 -3.597
348 HD3 ARG 48 3HD ARG 48 6.162 -9.875 -2.565
349 HE ARG 48 HE ARG 48 5.829 -11.454 -4.336
350 HH11 ARG 48 1HH1 ARG 48 5.585 -8.153 -5.621
351 HH12 ARG 48 2HH1 ARG 48 6.187 -8.705 -7.173
352 HH21 ARG 48 1HH2 ARG 48 6.406 -11.989 -6.317
353 HH22 ARG 48 2HH2 ARG 48 6.672 -10.768 -7.536
354 H LEU 49 H LEU 49 2.036 -5.245 -3.893
355 HA LEU 49 HA LEU 49 3.505 -4.837 -6.408
356 HB2 LEU 49 2HB LEU 49 0.890 -4.063 -5.271
357 HB3 LEU 49 3HB LEU 49 1.688 -2.726 -6.044
358 HG LEU 49 HG LEU 49 0.145 -3.901 -7.531
359 HD11 LEU 49 1HD1 LEU 49 2.095 -2.721 -8.502
360 HD12 LEU 49 2HD1 LEU 49 3.030 -4.229 -8.466
361 HD13 LEU 49 3HD1 LEU 49 1.588 -4.107 -9.484
362 HD21 LEU 49 1HD2 LEU 49 0.513 -6.181 -6.571
363 HD22 LEU 49 2HD2 LEU 49 0.536 -6.120 -8.351
364 HD23 LEU 49 3HD2 LEU 49 2.051 -6.267 -7.443
365 H TYR 50 H TYR 50 3.684 -3.665 -3.158
366 HA TYR 50 HA TYR 50 4.982 -1.406 -2.871
367 HB2 TYR 50 2HB TYR 50 5.076 -3.070 -1.192
368 HB3 TYR 50 3HB TYR 50 5.960 -4.194 -2.211
369 HD1 TYR 50 HD1 TYR 50 8.374 -4.011 -2.545
370 HD2 TYR 50 HD2 TYR 50 6.244 -1.289 0.029
371 HE1 TYR 50 HE1 TYR 50 10.519 -3.338 -1.493
372 HE2 TYR 50 HE2 TYR 50 8.406 -0.685 1.150
373 HH TYR 50 HH TYR 50 10.670 -0.876 1.119
374 H ALA 51 H ALA 51 6.173 -0.174 -4.097
375 HA ALA 51 HA ALA 51 6.444 -1.043 -6.605
376 HB1 ALA 51 1HB ALA 51 7.284 1.160 -7.211
377 HB2 ALA 51 2HB ALA 51 6.051 1.275 -5.942
378 HB3 ALA 51 3HB ALA 51 7.771 1.461 -5.528
379 H GLY 52 H GLY 52 7.752 -2.157 -7.864
380 HA2 GLY 52 2HA GLY 52 10.403 -2.911 -7.149
381 HA3 GLY 52 3HA GLY 52 9.686 -3.149 -8.713
382 H LYS 53 H LYS 53 11.916 -1.490 -6.990
383 HA LYS 53 HA LYS 53 12.495 0.603 -9.056
384 HB2 LYS 53 2HB LYS 53 12.799 0.413 -6.087
385 HB3 LYS 53 3HB LYS 53 14.119 1.193 -6.947
386 HG2 LYS 53 2HG LYS 53 12.582 2.851 -6.221
387 HG3 LYS 53 3HG LYS 53 12.579 2.771 -7.986
388 HD2 LYS 53 2HD LYS 53 10.412 1.631 -7.980
389 HD3 LYS 53 3HD LYS 53 10.483 1.468 -6.219
390 HE2 LYS 53 2HE LYS 53 8.995 3.279 -6.688
391 HE3 LYS 53 3HE LYS 53 10.462 3.955 -5.990
392 HZ1 LYS 53 1HZ LYS 53 9.809 3.901 -8.887
393 HZ2 LYS 53 2HZ LYS 53 9.617 5.184 -7.909
394 HZ3 LYS 53 3HZ LYS 53 11.149 4.613 -8.247
395 H ALA 54 H ALA 54 13.695 -0.263 -10.575
396 HA ALA 54 HA ALA 54 16.161 -1.799 -9.862
397 HB1 ALA 54 1HB ALA 54 14.518 -1.815 -12.416
398 HB2 ALA 54 2HB ALA 54 16.018 -2.728 -12.144
399 HB3 ALA 54 3HB ALA 54 14.571 -3.094 -11.185
Start of MODEL 16
1 H1 VAL 1 1H VAL 1 -10.280 7.551 -17.738
2 H2 VAL 1 2H VAL 1 -9.795 9.072 -17.330
3 H3 VAL 1 3H VAL 1 -11.386 8.763 -17.530
4 HA VAL 1 HA VAL 1 -10.872 8.966 -15.232
5 HB VAL 1 HB VAL 1 -12.660 7.431 -15.879
6 HG11 VAL 1 1HG1 VAL 1 -10.649 5.148 -15.650
7 HG12 VAL 1 2HG1 VAL 1 -12.400 5.008 -15.868
8 HG13 VAL 1 3HG1 VAL 1 -11.421 5.706 -17.151
9 HG21 VAL 1 1HG2 VAL 1 -12.238 7.772 -13.493
10 HG22 VAL 1 2HG2 VAL 1 -12.817 6.140 -13.810
11 HG23 VAL 1 3HG2 VAL 1 -11.098 6.408 -13.471
12 H THR 2 H THR 2 -9.380 8.826 -13.617
13 HA THR 2 HA THR 2 -6.812 7.480 -14.179
14 HB THR 2 HB THR 2 -7.632 8.806 -11.577
15 HG1 THR 2 HG1 THR 2 -6.352 10.096 -13.746
16 HG21 THR 2 1HG2 THR 2 -4.931 8.460 -12.965
17 HG22 THR 2 2HG2 THR 2 -5.216 9.331 -11.440
18 HG23 THR 2 3HG2 THR 2 -5.485 7.585 -11.519
19 H LYS 3 H LYS 3 -6.326 5.385 -13.575
20 HA LYS 3 HA LYS 3 -7.765 4.099 -11.340
21 HB2 LYS 3 2HB LYS 3 -9.134 3.976 -13.560
22 HB3 LYS 3 3HB LYS 3 -7.857 2.911 -14.134
23 HG2 LYS 3 2HG LYS 3 -9.594 1.507 -13.351
24 HG3 LYS 3 3HG LYS 3 -8.338 1.411 -12.116
25 HD2 LYS 3 2HD LYS 3 -9.558 3.059 -10.736
26 HD3 LYS 3 3HD LYS 3 -10.766 3.262 -12.012
27 HE2 LYS 3 2HE LYS 3 -11.426 0.890 -11.808
28 HE3 LYS 3 3HE LYS 3 -10.175 0.633 -10.574
29 HZ1 LYS 3 1HZ LYS 3 -12.364 1.032 -9.578
30 HZ2 LYS 3 2HZ LYS 3 -11.280 2.200 -9.165
31 HZ3 LYS 3 3HZ LYS 3 -12.444 2.519 -10.299
32 H LYS 4 H LYS 4 -6.542 2.769 -10.301
33 HA LYS 4 HA LYS 4 -4.100 1.562 -11.535
34 HB2 LYS 4 2HB LYS 4 -4.884 2.438 -8.732
35 HB3 LYS 4 3HB LYS 4 -3.548 1.323 -8.940
36 HG2 LYS 4 2HG LYS 4 -3.475 3.627 -10.802
37 HG3 LYS 4 3HG LYS 4 -3.409 4.072 -9.108
38 HD2 LYS 4 2HD LYS 4 -1.171 3.791 -10.232
39 HD3 LYS 4 3HD LYS 4 -1.375 2.753 -8.812
40 HE2 LYS 4 2HE LYS 4 -1.695 0.807 -10.108
41 HE3 LYS 4 3HE LYS 4 -2.087 1.714 -11.563
42 HZ1 LYS 4 1HZ LYS 4 0.621 1.692 -10.391
43 HZ2 LYS 4 2HZ LYS 4 0.124 0.688 -11.599
44 HZ3 LYS 4 3HZ LYS 4 0.175 2.311 -11.838
45 H ALA 5 H ALA 5 -3.427 -0.358 -10.043
46 HA ALA 5 HA ALA 5 -5.336 -2.545 -10.559
47 HB1 ALA 5 1HB ALA 5 -2.592 -2.519 -9.230
48 HB2 ALA 5 2HB ALA 5 -3.536 -3.964 -9.649
49 HB3 ALA 5 3HB ALA 5 -2.921 -2.906 -10.935
50 H SER 6 H SER 6 -6.322 -3.790 -8.843
51 HA SER 6 HA SER 6 -7.001 -2.104 -6.585
52 HB2 SER 6 2HB SER 6 -8.666 -3.487 -6.038
53 HB3 SER 6 3HB SER 6 -8.520 -3.816 -7.763
54 HG SER 6 HG SER 6 -8.755 -5.626 -6.305
55 H HIS 7 H HIS 7 -6.816 -2.560 -4.447
56 HA HIS 7 HA HIS 7 -4.387 -3.130 -3.157
57 HB2 HIS 7 2HB HIS 7 -6.151 -3.586 -1.233
58 HB3 HIS 7 3HB HIS 7 -6.031 -1.991 -1.948
59 HD2 HIS 7 HD2 HIS 7 -8.062 -1.060 -3.383
60 HE1 HIS 7 HE1 HIS 7 -10.583 -4.484 -3.305
61 HE2 HIS 7 HE2 HIS 7 -10.388 -2.073 -4.083
62 H LYS 8 H LYS 8 -7.123 -5.283 -3.524
63 HA LYS 8 HA LYS 8 -6.067 -7.802 -2.710
64 HB2 LYS 8 2HB LYS 8 -8.407 -7.337 -2.993
65 HB3 LYS 8 3HB LYS 8 -8.186 -7.079 -4.717
66 HG2 LYS 8 2HG LYS 8 -9.139 -9.158 -4.408
67 HG3 LYS 8 3HG LYS 8 -7.529 -9.470 -5.009
68 HD2 LYS 8 2HD LYS 8 -6.772 -10.195 -2.829
69 HD3 LYS 8 3HD LYS 8 -8.230 -9.562 -2.054
70 HE2 LYS 8 2HE LYS 8 -9.605 -11.199 -3.368
71 HE3 LYS 8 3HE LYS 8 -8.109 -11.929 -3.966
72 HZ1 LYS 8 1HZ LYS 8 -7.518 -12.500 -1.722
73 HZ2 LYS 8 2HZ LYS 8 -8.797 -11.682 -1.085
74 HZ3 LYS 8 3HZ LYS 8 -9.072 -13.037 -1.955
75 H ASP 9 H ASP 9 -6.254 -6.501 -6.030
76 HA ASP 9 HA ASP 9 -4.936 -8.579 -7.402
77 HB2 ASP 9 2HB ASP 9 -6.147 -6.461 -8.249
78 HB3 ASP 9 3HB ASP 9 -4.572 -5.683 -8.138
79 H ALA 10 H ALA 10 -3.464 -5.649 -5.952
80 HA ALA 10 HA ALA 10 -0.721 -6.500 -6.302
81 HB1 ALA 10 1HB ALA 10 -1.961 -4.362 -4.535
82 HB2 ALA 10 2HB ALA 10 -0.252 -4.472 -4.992
83 HB3 ALA 10 3HB ALA 10 -1.478 -4.137 -6.232
84 H GLY 11 H GLY 11 -2.960 -7.867 -4.278
85 HA2 GLY 11 2HA GLY 11 -2.689 -9.471 -2.707
86 HA3 GLY 11 3HA GLY 11 -0.938 -9.308 -2.833
87 H TYR 12 H TYR 12 -3.030 -6.589 -1.870
88 HA TYR 12 HA TYR 12 -1.436 -6.095 0.364
89 HB2 TYR 12 2HB TYR 12 -2.446 -4.159 0.544
90 HB3 TYR 12 3HB TYR 12 -3.162 -4.537 -0.988
91 HD1 TYR 12 HD1 TYR 12 -5.403 -6.355 -0.349
92 HD2 TYR 12 HD2 TYR 12 -3.912 -2.981 1.885
93 HE1 TYR 12 HE1 TYR 12 -7.595 -6.122 0.825
94 HE2 TYR 12 HE2 TYR 12 -6.098 -2.771 3.045
95 HH TYR 12 HH TYR 12 -8.324 -3.569 3.157
96 H GLN 13 H GLN 13 -1.984 -5.720 2.545
97 HA GLN 13 HA GLN 13 -4.001 -7.509 3.767
98 HB2 GLN 13 2HB GLN 13 -2.227 -7.890 5.643
99 HB3 GLN 13 3HB GLN 13 -2.196 -8.891 4.205
100 HG2 GLN 13 2HG GLN 13 -0.333 -7.648 3.259
101 HG3 GLN 13 3HG GLN 13 -0.420 -6.453 4.562
102 HE21 GLN 13 1HE2 GLN 13 1.387 -6.598 5.632
103 HE22 GLN 13 2HE2 GLN 13 1.859 -8.065 6.449
104 H GLU 14 H GLU 14 -4.536 -6.861 5.952
105 HA GLU 14 HA GLU 14 -5.039 -4.070 6.147
106 HB2 GLU 14 2HB GLU 14 -6.139 -4.634 8.213
107 HB3 GLU 14 3HB GLU 14 -6.409 -5.951 7.067
108 HG2 GLU 14 2HG GLU 14 -4.435 -7.164 8.165
109 HG3 GLU 14 3HG GLU 14 -4.463 -5.911 9.403
110 H SER 15 H SER 15 -2.086 -5.505 6.747
111 HA SER 15 HA SER 15 -1.208 -3.448 8.689
112 HB2 SER 15 2HB SER 15 0.030 -5.393 9.895
113 HB3 SER 15 3HB SER 15 -1.673 -5.138 10.204
114 HG SER 15 HG SER 15 -1.834 -7.143 9.714
115 HA PRO 16 HA PRO 16 2.764 -3.536 6.623
116 HB2 PRO 16 2HB PRO 16 4.051 -3.830 9.294
117 HB3 PRO 16 3HB PRO 16 4.361 -2.614 8.056
118 HG2 PRO 16 2HG PRO 16 2.964 -2.044 10.329
119 HG3 PRO 16 3HG PRO 16 2.492 -1.310 8.767
120 HD2 PRO 16 2HD PRO 16 1.228 -3.655 10.195
121 HD3 PRO 16 3HD PRO 16 0.468 -2.315 9.298
122 H ASN 17 H ASN 17 4.288 -5.048 5.955
123 HA ASN 17 HA ASN 17 4.238 -7.789 7.168
124 HB2 ASN 17 2HB ASN 17 3.871 -7.841 4.813
125 HB3 ASN 17 3HB ASN 17 5.164 -6.718 4.497
126 HD21 ASN 17 1HD2 ASN 17 6.220 -8.272 3.064
127 HD22 ASN 17 2HD2 ASN 17 7.089 -9.633 3.766
128 H GLY 18 H GLY 18 5.246 -6.900 9.083
129 HA2 GLY 18 2HA GLY 18 7.062 -6.511 10.462
130 HA3 GLY 18 3HA GLY 18 8.113 -7.141 9.185
131 H ALA 19 H ALA 19 9.487 -5.700 8.330
132 HA ALA 19 HA ALA 19 9.499 -2.956 9.128
133 HB1 ALA 19 1HB ALA 19 11.106 -4.346 6.946
134 HB2 ALA 19 2HB ALA 19 11.496 -2.805 7.731
135 HB3 ALA 19 3HB ALA 19 11.527 -4.304 8.677
136 H LYS 20 H LYS 20 7.894 -4.451 6.348
137 HA LYS 20 HA LYS 20 7.980 -1.881 4.834
138 HB2 LYS 20 2HB LYS 20 6.874 -4.508 3.848
139 HB3 LYS 20 3HB LYS 20 7.265 -3.058 2.934
140 HG2 LYS 20 2HG LYS 20 9.140 -4.141 2.393
141 HG3 LYS 20 3HG LYS 20 9.746 -3.600 3.961
142 HD2 LYS 20 2HD LYS 20 9.096 -5.766 4.965
143 HD3 LYS 20 3HD LYS 20 8.294 -6.245 3.455
144 HE2 LYS 20 2HE LYS 20 10.565 -5.985 2.315
145 HE3 LYS 20 3HE LYS 20 11.274 -5.873 3.938
146 HZ1 LYS 20 1HZ LYS 20 9.638 -8.132 2.903
147 HZ2 LYS 20 2HZ LYS 20 11.250 -8.171 3.067
148 HZ3 LYS 20 3HZ LYS 20 10.299 -8.070 4.411
149 H ARG 21 H ARG 21 6.360 -0.511 4.819
150 HA ARG 21 HA ARG 21 3.572 -1.451 4.696
151 HB2 ARG 21 2HB ARG 21 2.814 -0.535 6.604
152 HB3 ARG 21 3HB ARG 21 4.485 -0.659 7.153
153 HG2 ARG 21 2HG ARG 21 4.855 1.721 6.400
154 HG3 ARG 21 3HG ARG 21 3.117 1.801 6.035
155 HD2 ARG 21 2HD ARG 21 2.720 1.100 8.473
156 HD3 ARG 21 3HD ARG 21 4.454 1.376 8.709
157 HE ARG 21 HE ARG 21 2.675 3.513 7.598
158 HH11 ARG 21 1HH1 ARG 21 4.640 2.461 10.359
159 HH12 ARG 21 2HH1 ARG 21 4.730 4.101 10.972
160 HH21 ARG 21 1HH2 ARG 21 3.017 5.627 8.520
161 HH22 ARG 21 2HH2 ARG 21 3.538 5.646 10.194
162 H CYS 22 H CYS 22 2.103 0.140 3.754
163 HA CYS 22 HA CYS 22 2.880 1.663 1.698
164 HB2 CYS 22 2HB CYS 22 0.589 2.151 3.635
165 HB3 CYS 22 3HB CYS 22 0.710 2.817 1.992
166 H GLY 23 H GLY 23 2.227 3.350 4.836
167 HA2 GLY 23 2HA GLY 23 3.025 5.404 5.600
168 HA3 GLY 23 3HA GLY 23 4.436 4.375 5.621
169 H THR 24 H THR 24 6.018 4.632 3.986
170 HA THR 24 HA THR 24 5.775 6.953 2.133
171 HB THR 24 HB THR 24 8.365 6.906 2.171
172 HG1 THR 24 HG1 THR 24 8.823 5.192 3.444
173 HG21 THR 24 1HG2 THR 24 7.058 8.783 3.041
174 HG22 THR 24 2HG2 THR 24 6.765 7.917 4.564
175 HG23 THR 24 3HG2 THR 24 8.408 8.433 4.133
176 H CYS 25 H CYS 25 6.666 3.570 2.529
177 HA CYS 25 HA CYS 25 7.295 1.907 1.117
178 HB2 CYS 25 2HB CYS 25 4.926 2.019 0.836
179 HB3 CYS 25 3HB CYS 25 5.046 3.217 -0.416
180 H ARG 26 H ARG 26 7.341 1.618 -1.593
181 HA ARG 26 HA ARG 26 9.273 3.621 -2.740
182 HB2 ARG 26 2HB ARG 26 8.663 0.735 -3.427
183 HB3 ARG 26 3HB ARG 26 9.415 1.824 -4.598
184 HG2 ARG 26 2HG ARG 26 11.283 2.269 -3.140
185 HG3 ARG 26 3HG ARG 26 10.572 1.327 -1.819
186 HD2 ARG 26 2HD ARG 26 10.899 -0.730 -2.917
187 HD3 ARG 26 3HD ARG 26 11.004 0.025 -4.505
188 HE ARG 26 HE ARG 26 13.193 0.802 -4.095
189 HH11 ARG 26 1HH1 ARG 26 12.188 -1.288 -1.420
190 HH12 ARG 26 2HH1 ARG 26 13.811 -1.947 -1.276
191 HH21 ARG 26 1HH2 ARG 26 15.213 0.092 -3.613
192 HH22 ARG 26 2HH2 ARG 26 15.441 -1.123 -2.339
193 H GLN 27 H GLN 27 5.988 2.852 -2.545
194 HA GLN 27 HA GLN 27 5.381 4.334 -5.080
195 HB2 GLN 27 2HB GLN 27 4.253 1.712 -4.052
196 HB3 GLN 27 3HB GLN 27 3.533 2.603 -5.384
197 HG2 GLN 27 2HG GLN 27 6.390 1.532 -5.437
198 HG3 GLN 27 3HG GLN 27 5.003 0.672 -6.046
199 HE21 GLN 27 1HE2 GLN 27 6.950 3.631 -6.549
200 HE22 GLN 27 2HE2 GLN 27 6.461 3.811 -8.250
201 H PHE 28 H PHE 28 4.844 4.644 -1.761
202 HA PHE 28 HA PHE 28 1.980 5.000 -1.879
203 HB2 PHE 28 2HB PHE 28 3.241 4.399 0.138
204 HB3 PHE 28 3HB PHE 28 3.872 6.038 0.243
205 HD1 PHE 28 HD1 PHE 28 0.601 4.163 -0.055
206 HD2 PHE 28 HD2 PHE 28 2.663 7.553 1.629
207 HE1 PHE 28 HE1 PHE 28 -1.416 4.732 1.260
208 HE2 PHE 28 HE2 PHE 28 0.635 8.117 2.954
209 HZ PHE 28 HZ PHE 28 -1.411 6.717 2.754
210 H ARG 29 H ARG 29 0.751 6.893 -1.640
211 HA ARG 29 HA ARG 29 1.969 9.408 -2.700
212 HB2 ARG 29 2HB ARG 29 1.190 7.894 -4.516
213 HB3 ARG 29 3HB ARG 29 -0.414 7.890 -3.817
214 HG2 ARG 29 2HG ARG 29 -0.440 9.390 -5.647
215 HG3 ARG 29 3HG ARG 29 -0.544 10.331 -4.158
216 HD2 ARG 29 2HD ARG 29 1.902 10.830 -4.331
217 HD3 ARG 29 3HD ARG 29 1.978 9.856 -5.807
218 HE ARG 29 HE ARG 29 0.011 12.072 -5.845
219 HH11 ARG 29 1HH1 ARG 29 3.365 11.298 -6.797
220 HH12 ARG 29 2HH1 ARG 29 3.141 12.267 -8.248
221 HH21 ARG 29 1HH2 ARG 29 0.014 13.343 -7.537
222 HH22 ARG 29 2HH2 ARG 29 1.447 13.514 -8.553
223 HA PRO 30 HA PRO 30 -0.476 9.712 1.065
224 HB2 PRO 30 2HB PRO 30 0.730 11.882 2.295
225 HB3 PRO 30 3HB PRO 30 1.416 10.230 2.247
226 HG2 PRO 30 2HG PRO 30 2.018 12.558 0.406
227 HG3 PRO 30 3HG PRO 30 3.180 11.471 1.239
228 HD2 PRO 30 2HD PRO 30 2.483 11.069 -1.340
229 HD3 PRO 30 3HD PRO 30 2.699 9.681 -0.226
230 HA PRO 31 HA PRO 31 -1.257 10.790 3.045
231 HB2 PRO 31 2HB PRO 31 -3.583 11.300 4.290
232 HB3 PRO 31 3HB PRO 31 -2.383 12.592 3.989
233 HG2 PRO 31 2HG PRO 31 -4.826 11.894 2.319
234 HG3 PRO 31 3HG PRO 31 -4.372 13.501 2.977
235 HD2 PRO 31 2HD PRO 31 -3.731 12.733 0.428
236 HD3 PRO 31 3HD PRO 31 -2.644 13.761 1.407
237 H SER 32 H SER 32 -3.511 9.958 0.513
238 HA SER 32 HA SER 32 -4.053 7.326 1.782
239 HB2 SER 32 2HB SER 32 -6.499 7.652 1.477
240 HB3 SER 32 3HB SER 32 -5.777 8.776 2.628
241 HG SER 32 HG SER 32 -6.905 9.271 0.130
242 H SER 33 H SER 33 -2.651 8.244 -0.842
243 HA SER 33 HA SER 33 -4.138 6.334 -2.613
244 HB2 SER 33 2HB SER 33 -2.539 8.751 -3.478
245 HB3 SER 33 3HB SER 33 -3.361 7.602 -4.531
246 HG SER 33 HG SER 33 -4.497 9.528 -4.181
247 H CYS 34 H CYS 34 -2.651 5.461 -4.379
248 HA CYS 34 HA CYS 34 0.194 5.147 -3.602
249 HB2 CYS 34 2HB CYS 34 -0.857 3.380 -2.378
250 HB3 CYS 34 3HB CYS 34 -1.860 2.915 -3.751
251 H ILE 35 H ILE 35 1.522 4.346 -5.248
252 HA ILE 35 HA ILE 35 0.583 4.843 -8.025
253 HB ILE 35 HB ILE 35 3.398 4.555 -6.921
254 HG12 ILE 35 2HG1 ILE 35 1.822 7.015 -7.828
255 HG13 ILE 35 3HG1 ILE 35 2.203 6.609 -6.158
256 HG21 ILE 35 1HG2 ILE 35 3.323 3.890 -9.312
257 HG22 ILE 35 2HG2 ILE 35 2.484 5.402 -9.711
258 HG23 ILE 35 3HG2 ILE 35 4.163 5.396 -9.117
259 HD11 ILE 35 1HD1 ILE 35 4.641 6.797 -6.683
260 HD12 ILE 35 2HD1 ILE 35 4.193 7.431 -8.286
261 HD13 ILE 35 3HD1 ILE 35 3.708 8.303 -6.834
262 H THR 36 H THR 36 1.081 2.188 -5.906
263 HA THR 36 HA THR 36 0.989 0.251 -8.191
264 HB THR 36 HB THR 36 0.797 -0.281 -5.209
265 HG1 THR 36 HG1 THR 36 2.803 -0.403 -5.130
266 HG21 THR 36 1HG2 THR 36 1.337 -2.536 -5.773
267 HG22 THR 36 2HG2 THR 36 -0.076 -2.093 -6.731
268 HG23 THR 36 3HG2 THR 36 1.519 -2.140 -7.510
269 H VAL 37 H VAL 37 -0.881 1.365 -5.364
270 HA VAL 37 HA VAL 37 -3.156 -0.302 -6.258
271 HB VAL 37 HB VAL 37 -1.992 0.496 -3.578
272 HG11 VAL 37 1HG1 VAL 37 -4.744 -0.726 -3.959
273 HG12 VAL 37 2HG1 VAL 37 -3.805 -0.767 -2.442
274 HG13 VAL 37 3HG1 VAL 37 -4.309 0.774 -3.101
275 HG21 VAL 37 1HG2 VAL 37 -1.098 -1.504 -4.677
276 HG22 VAL 37 2HG2 VAL 37 -2.001 -1.961 -3.248
277 HG23 VAL 37 3HG2 VAL 37 -2.741 -2.165 -4.859
278 H GLU 38 H GLU 38 -5.197 0.279 -6.253
279 HA GLU 38 HA GLU 38 -6.218 2.811 -6.685
280 HB2 GLU 38 2HB GLU 38 -7.318 0.298 -5.431
281 HB3 GLU 38 3HB GLU 38 -8.302 1.714 -5.487
282 HG2 GLU 38 2HG GLU 38 -7.019 0.458 -7.954
283 HG3 GLU 38 3HG GLU 38 -8.646 0.096 -7.385
284 H SER 39 H SER 39 -7.417 4.250 -5.617
285 HA SER 39 HA SER 39 -6.718 4.782 -2.765
286 HB2 SER 39 2HB SER 39 -5.939 6.346 -4.510
287 HB3 SER 39 3HB SER 39 -7.630 6.710 -4.885
288 HG SER 39 HG SER 39 -6.128 7.882 -3.162
289 HA PRO 40 HA PRO 40 -7.592 6.012 -0.978
290 HB2 PRO 40 2HB PRO 40 -8.863 5.562 1.364
291 HB3 PRO 40 3HB PRO 40 -9.359 6.864 0.238
292 HG2 PRO 40 2HG PRO 40 -10.535 4.069 0.479
293 HG3 PRO 40 3HG PRO 40 -11.409 5.636 0.475
294 HD2 PRO 40 2HD PRO 40 -11.107 4.133 -1.791
295 HD3 PRO 40 3HD PRO 40 -11.078 5.921 -1.834
296 H ILE 41 H ILE 41 -5.969 5.093 0.168
297 HA ILE 41 HA ILE 41 -6.078 2.261 1.059
298 HB ILE 41 HB ILE 41 -5.001 2.108 -1.043
299 HG12 ILE 41 2HG1 ILE 41 -2.669 1.439 -0.572
300 HG13 ILE 41 3HG1 ILE 41 -2.784 2.122 1.043
301 HG21 ILE 41 1HG2 ILE 41 -3.216 4.438 -0.268
302 HG22 ILE 41 2HG2 ILE 41 -3.021 3.408 -1.702
303 HG23 ILE 41 3HG2 ILE 41 -4.463 4.389 -1.543
304 HD11 ILE 41 1HD1 ILE 41 -4.515 -0.143 -0.062
305 HD12 ILE 41 2HD1 ILE 41 -3.092 -0.340 0.976
306 HD13 ILE 41 3HD1 ILE 41 -4.533 0.460 1.613
307 H SER 42 H SER 42 -5.145 1.864 2.970
308 HA SER 42 HA SER 42 -4.627 4.037 4.760
309 HB2 SER 42 2HB SER 42 -5.472 1.698 5.265
310 HB3 SER 42 3HB SER 42 -3.795 1.165 5.238
311 HG SER 42 HG SER 42 -3.840 1.828 7.253
312 H GLU 43 H GLU 43 -2.756 4.792 5.671
313 HA GLU 43 HA GLU 43 -0.240 4.360 4.303
314 HB2 GLU 43 2HB GLU 43 0.724 5.872 5.895
315 HB3 GLU 43 3HB GLU 43 -0.673 6.543 5.094
316 HG2 GLU 43 2HG GLU 43 -2.054 6.166 7.098
317 HG3 GLU 43 3HG GLU 43 -0.656 5.438 7.904
318 H ASN 44 H ASN 44 -1.637 2.183 6.098
319 HA ASN 44 HA ASN 44 0.976 0.934 6.718
320 HB2 ASN 44 2HB ASN 44 0.140 -0.075 8.757
321 HB3 ASN 44 3HB ASN 44 -0.066 1.672 8.870
322 HD21 ASN 44 1HD2 ASN 44 -1.404 0.650 10.680
323 HD22 ASN 44 2HD2 ASN 44 -3.077 0.867 10.215
324 H GLY 45 H GLY 45 -1.506 0.697 4.606
325 HA2 GLY 45 2HA GLY 45 -2.396 -2.057 5.023
326 HA3 GLY 45 3HA GLY 45 -2.905 -0.936 3.761
327 H TRP 46 H TRP 46 0.201 -2.499 4.663
328 HA TRP 46 HA TRP 46 1.532 -2.201 2.302
329 HB2 TRP 46 2HB TRP 46 2.466 -3.198 4.420
330 HB3 TRP 46 3HB TRP 46 1.595 -4.656 4.070
331 HD1 TRP 46 HD1 TRP 46 4.448 -2.591 2.447
332 HE1 TRP 46 HE1 TRP 46 5.937 -4.183 1.088
333 HE3 TRP 46 HE3 TRP 46 1.776 -6.892 2.976
334 HZ2 TRP 46 HZ2 TRP 46 6.177 -7.039 0.686
335 HZ3 TRP 46 HZ3 TRP 46 2.640 -9.051 2.091
336 HH2 TRP 46 HH2 TRP 46 4.838 -9.131 0.943
337 H CYS 47 H CYS 47 1.596 -2.938 0.290
338 HA CYS 47 HA CYS 47 0.284 -5.510 -0.419
339 HB2 CYS 47 2HB CYS 47 -0.403 -4.648 -2.463
340 HB3 CYS 47 3HB CYS 47 -0.518 -3.179 -1.466
341 H ARG 48 H ARG 48 1.224 -6.536 -2.334
342 HA ARG 48 HA ARG 48 4.017 -7.149 -1.610
343 HB2 ARG 48 2HB ARG 48 2.116 -8.535 -3.544
344 HB3 ARG 48 3HB ARG 48 3.648 -9.169 -2.914
345 HG2 ARG 48 2HG ARG 48 2.712 -9.080 -0.602
346 HG3 ARG 48 3HG ARG 48 1.164 -8.522 -1.258
347 HD2 ARG 48 2HD ARG 48 1.025 -10.613 -2.615
348 HD3 ARG 48 3HD ARG 48 2.539 -11.126 -1.853
349 HE ARG 48 HE ARG 48 0.100 -10.448 -0.232
350 HH11 ARG 48 1HH1 ARG 48 2.593 -12.887 -0.950
351 HH12 ARG 48 2HH1 ARG 48 1.897 -13.987 0.206
352 HH21 ARG 48 1HH2 ARG 48 -0.540 -11.872 1.318
353 HH22 ARG 48 2HH2 ARG 48 0.393 -13.352 1.580
354 H LEU 49 H LEU 49 2.610 -5.087 -3.824
355 HA LEU 49 HA LEU 49 4.785 -5.427 -5.838
356 HB2 LEU 49 2HB LEU 49 1.913 -4.621 -6.025
357 HB3 LEU 49 3HB LEU 49 3.052 -3.888 -7.146
358 HG LEU 49 HG LEU 49 3.756 -6.121 -7.930
359 HD11 LEU 49 1HD1 LEU 49 1.531 -7.091 -6.086
360 HD12 LEU 49 2HD1 LEU 49 2.167 -8.039 -7.446
361 HD13 LEU 49 3HD1 LEU 49 3.232 -7.605 -6.109
362 HD21 LEU 49 1HD2 LEU 49 2.052 -4.818 -9.098
363 HD22 LEU 49 2HD2 LEU 49 1.692 -6.547 -9.209
364 HD23 LEU 49 3HD2 LEU 49 0.772 -5.531 -8.073
365 H TYR 50 H TYR 50 4.770 -3.965 -3.195
366 HA TYR 50 HA TYR 50 5.147 -1.247 -3.360
367 HB2 TYR 50 2HB TYR 50 6.254 -1.491 -1.276
368 HB3 TYR 50 3HB TYR 50 4.913 -2.615 -1.334
369 HD1 TYR 50 HD1 TYR 50 5.564 -5.128 -1.946
370 HD2 TYR 50 HD2 TYR 50 8.316 -2.162 -0.542
371 HE1 TYR 50 HE1 TYR 50 7.244 -6.919 -1.511
372 HE2 TYR 50 HE2 TYR 50 9.981 -3.934 -0.011
373 HH TYR 50 HH TYR 50 10.485 -6.135 -0.162
374 H ALA 51 H ALA 51 6.220 -1.405 -5.644
375 HA ALA 51 HA ALA 51 9.183 -1.072 -5.444
376 HB1 ALA 51 1HB ALA 51 9.463 -2.756 -7.227
377 HB2 ALA 51 2HB ALA 51 8.691 -3.457 -5.788
378 HB3 ALA 51 3HB ALA 51 7.706 -3.061 -7.212
379 H GLY 52 H GLY 52 10.143 0.151 -7.043
380 HA2 GLY 52 2HA GLY 52 9.689 0.809 -9.475
381 HA3 GLY 52 3HA GLY 52 8.337 1.745 -8.825
382 H LYS 53 H LYS 53 10.273 2.311 -6.422
383 HA LYS 53 HA LYS 53 11.922 4.477 -7.626
384 HB2 LYS 53 2HB LYS 53 10.471 4.237 -4.971
385 HB3 LYS 53 3HB LYS 53 11.891 5.245 -5.123
386 HG2 LYS 53 2HG LYS 53 9.688 6.419 -5.274
387 HG3 LYS 53 3HG LYS 53 10.858 6.795 -6.537
388 HD2 LYS 53 2HD LYS 53 9.627 5.684 -8.210
389 HD3 LYS 53 3HD LYS 53 8.723 4.728 -7.047
390 HE2 LYS 53 2HE LYS 53 7.286 6.376 -8.071
391 HE3 LYS 53 3HE LYS 53 7.416 6.641 -6.327
392 HZ1 LYS 53 1HZ LYS 53 9.100 8.140 -8.242
393 HZ2 LYS 53 2HZ LYS 53 7.594 8.663 -7.828
394 HZ3 LYS 53 3HZ LYS 53 8.757 8.518 -6.677
395 H ALA 54 H ALA 54 13.960 4.371 -7.282
396 HA ALA 54 HA ALA 54 15.433 2.137 -7.197
397 HB1 ALA 54 1HB ALA 54 16.287 4.880 -6.175
398 HB2 ALA 54 2HB ALA 54 17.388 3.594 -6.696
399 HB3 ALA 54 3HB ALA 54 16.277 4.324 -7.864
Start of MODEL 17
1 H1 VAL 1 1H VAL 1 -4.247 10.190 -16.402
2 H2 VAL 1 2H VAL 1 -2.661 10.465 -16.061
3 H3 VAL 1 3H VAL 1 -3.725 10.070 -14.858
4 HA VAL 1 HA VAL 1 -2.931 8.306 -17.090
5 HB VAL 1 HB VAL 1 -1.870 6.880 -15.427
6 HG11 VAL 1 1HG1 VAL 1 -0.532 8.610 -16.617
7 HG12 VAL 1 2HG1 VAL 1 -0.765 9.714 -15.240
8 HG13 VAL 1 3HG1 VAL 1 0.116 8.194 -15.025
9 HG21 VAL 1 1HG2 VAL 1 -3.119 7.442 -13.393
10 HG22 VAL 1 2HG2 VAL 1 -1.391 7.707 -13.157
11 HG23 VAL 1 3HG2 VAL 1 -2.459 9.091 -13.408
12 H THR 2 H THR 2 -3.763 6.093 -16.950
13 HA THR 2 HA THR 2 -6.543 5.974 -16.074
14 HB THR 2 HB THR 2 -5.589 4.779 -18.077
15 HG1 THR 2 HG1 THR 2 -6.949 3.032 -17.735
16 HG21 THR 2 1HG2 THR 2 -3.615 3.692 -16.927
17 HG22 THR 2 2HG2 THR 2 -4.758 2.654 -16.049
18 HG23 THR 2 3HG2 THR 2 -4.651 2.569 -17.818
19 H LYS 3 H LYS 3 -7.418 4.325 -14.611
20 HA LYS 3 HA LYS 3 -6.190 4.451 -12.023
21 HB2 LYS 3 2HB LYS 3 -8.628 4.559 -12.591
22 HB3 LYS 3 3HB LYS 3 -8.595 2.830 -12.943
23 HG2 LYS 3 2HG LYS 3 -7.967 2.375 -10.570
24 HG3 LYS 3 3HG LYS 3 -7.953 4.130 -10.263
25 HD2 LYS 3 2HD LYS 3 -10.357 4.248 -10.930
26 HD3 LYS 3 3HD LYS 3 -10.346 2.507 -11.220
27 HE2 LYS 3 2HE LYS 3 -11.417 2.999 -9.126
28 HE3 LYS 3 3HE LYS 3 -9.945 2.073 -8.833
29 HZ1 LYS 3 1HZ LYS 3 -8.881 4.031 -8.011
30 HZ2 LYS 3 2HZ LYS 3 -10.016 5.028 -8.643
31 HZ3 LYS 3 3HZ LYS 3 -10.404 4.076 -7.365
32 H LYS 4 H LYS 4 -5.263 2.962 -10.761
33 HA LYS 4 HA LYS 4 -3.667 0.944 -12.000
34 HB2 LYS 4 2HB LYS 4 -4.046 2.083 -9.219
35 HB3 LYS 4 3HB LYS 4 -3.030 0.666 -9.382
36 HG2 LYS 4 2HG LYS 4 -2.608 3.021 -11.193
37 HG3 LYS 4 3HG LYS 4 -1.925 2.998 -9.557
38 HD2 LYS 4 2HD LYS 4 -0.716 0.902 -10.118
39 HD3 LYS 4 3HD LYS 4 -1.419 0.918 -11.742
40 HE2 LYS 4 2HE LYS 4 -0.373 3.184 -12.082
41 HE3 LYS 4 3HE LYS 4 0.432 3.013 -10.529
42 HZ1 LYS 4 1HZ LYS 4 0.751 1.139 -12.810
43 HZ2 LYS 4 2HZ LYS 4 1.819 2.322 -12.436
44 HZ3 LYS 4 3HZ LYS 4 1.618 1.072 -11.408
45 H ALA 5 H ALA 5 -3.138 -0.975 -10.586
46 HA ALA 5 HA ALA 5 -5.139 -3.077 -10.689
47 HB1 ALA 5 1HB ALA 5 -2.564 -2.781 -9.048
48 HB2 ALA 5 2HB ALA 5 -3.496 -4.276 -9.226
49 HB3 ALA 5 3HB ALA 5 -2.702 -3.568 -10.636
50 H SER 6 H SER 6 -6.565 -3.815 -9.053
51 HA SER 6 HA SER 6 -7.169 -2.017 -6.869
52 HB2 SER 6 2HB SER 6 -8.531 -3.856 -5.938
53 HB3 SER 6 3HB SER 6 -8.974 -3.351 -7.567
54 HG SER 6 HG SER 6 -8.064 -5.110 -8.427
55 H HIS 7 H HIS 7 -6.638 -2.128 -4.749
56 HA HIS 7 HA HIS 7 -4.010 -2.922 -4.002
57 HB2 HIS 7 2HB HIS 7 -5.102 -2.408 -1.670
58 HB3 HIS 7 3HB HIS 7 -4.882 -1.145 -2.851
59 HD2 HIS 7 HD2 HIS 7 -6.896 0.349 -3.326
60 HE1 HIS 7 HE1 HIS 7 -10.074 -2.347 -2.446
61 HE2 HIS 7 HE2 HIS 7 -9.507 0.017 -3.213
62 H LYS 8 H LYS 8 -7.047 -4.563 -3.636
63 HA LYS 8 HA LYS 8 -6.332 -7.048 -2.435
64 HB2 LYS 8 2HB LYS 8 -8.258 -6.448 -4.716
65 HB3 LYS 8 3HB LYS 8 -8.233 -7.947 -3.804
66 HG2 LYS 8 2HG LYS 8 -8.841 -5.192 -2.670
67 HG3 LYS 8 3HG LYS 8 -10.011 -6.392 -3.182
68 HD2 LYS 8 2HD LYS 8 -8.002 -6.734 -0.898
69 HD3 LYS 8 3HD LYS 8 -9.713 -6.353 -0.715
70 HE2 LYS 8 2HE LYS 8 -10.301 -8.505 -1.849
71 HE3 LYS 8 3HE LYS 8 -8.581 -8.902 -1.947
72 HZ1 LYS 8 1HZ LYS 8 -8.519 -8.851 0.515
73 HZ2 LYS 8 2HZ LYS 8 -10.130 -8.524 0.551
74 HZ3 LYS 8 3HZ LYS 8 -9.606 -9.948 -0.021
75 H ASP 9 H ASP 9 -6.492 -6.398 -5.939
76 HA ASP 9 HA ASP 9 -5.327 -8.789 -6.915
77 HB2 ASP 9 2HB ASP 9 -6.409 -6.852 -8.226
78 HB3 ASP 9 3HB ASP 9 -4.836 -6.084 -8.174
79 H ALA 10 H ALA 10 -3.778 -5.794 -5.938
80 HA ALA 10 HA ALA 10 -1.041 -6.623 -6.320
81 HB1 ALA 10 1HB ALA 10 -2.341 -4.341 -4.786
82 HB2 ALA 10 2HB ALA 10 -0.623 -4.452 -5.181
83 HB3 ALA 10 3HB ALA 10 -1.825 -4.306 -6.485
84 H GLY 11 H GLY 11 -3.135 -7.788 -3.985
85 HA2 GLY 11 2HA GLY 11 -2.743 -9.099 -2.182
86 HA3 GLY 11 3HA GLY 11 -1.014 -9.037 -2.529
87 H TYR 12 H TYR 12 -3.034 -6.203 -1.736
88 HA TYR 12 HA TYR 12 -1.317 -5.605 0.513
89 HB2 TYR 12 2HB TYR 12 -1.970 -3.525 0.313
90 HB3 TYR 12 3HB TYR 12 -2.620 -4.002 -1.228
91 HD1 TYR 12 HD1 TYR 12 -5.192 -5.385 -0.468
92 HD2 TYR 12 HD2 TYR 12 -3.291 -1.888 1.194
93 HE1 TYR 12 HE1 TYR 12 -7.409 -4.518 0.252
94 HE2 TYR 12 HE2 TYR 12 -5.516 -1.001 1.856
95 HH TYR 12 HH TYR 12 -8.485 -2.917 1.464
96 H GLN 13 H GLN 13 -2.264 -4.684 2.508
97 HA GLN 13 HA GLN 13 -4.319 -6.377 3.789
98 HB2 GLN 13 2HB GLN 13 -2.462 -6.781 5.630
99 HB3 GLN 13 3HB GLN 13 -2.591 -7.813 4.234
100 HG2 GLN 13 2HG GLN 13 -0.715 -6.612 3.122
101 HG3 GLN 13 3HG GLN 13 -0.654 -5.512 4.502
102 HE21 GLN 13 1HE2 GLN 13 1.246 -5.828 5.251
103 HE22 GLN 13 2HE2 GLN 13 1.757 -7.342 5.947
104 H GLU 14 H GLU 14 -4.290 -5.784 6.247
105 HA GLU 14 HA GLU 14 -4.654 -2.836 6.406
106 HB2 GLU 14 2HB GLU 14 -6.212 -3.314 8.168
107 HB3 GLU 14 3HB GLU 14 -6.523 -4.354 6.770
108 HG2 GLU 14 2HG GLU 14 -5.261 -6.205 7.948
109 HG3 GLU 14 3HG GLU 14 -5.118 -5.148 9.357
110 H SER 15 H SER 15 -2.188 -4.812 7.223
111 HA SER 15 HA SER 15 -1.119 -2.778 9.001
112 HB2 SER 15 2HB SER 15 -0.336 -4.716 10.641
113 HB3 SER 15 3HB SER 15 -1.851 -3.861 10.864
114 HG SER 15 HG SER 15 -2.472 -5.907 10.978
115 HA PRO 16 HA PRO 16 2.500 -3.365 6.898
116 HB2 PRO 16 2HB PRO 16 4.143 -3.546 9.395
117 HB3 PRO 16 3HB PRO 16 4.298 -2.402 8.045
118 HG2 PRO 16 2HG PRO 16 3.176 -1.673 10.430
119 HG3 PRO 16 3HG PRO 16 2.602 -1.023 8.871
120 HD2 PRO 16 2HD PRO 16 1.308 -3.098 10.608
121 HD3 PRO 16 3HD PRO 16 0.610 -1.878 9.518
122 H ASN 17 H ASN 17 4.061 -4.776 6.051
123 HA ASN 17 HA ASN 17 4.052 -7.596 7.037
124 HB2 ASN 17 2HB ASN 17 3.565 -7.287 4.639
125 HB3 ASN 17 3HB ASN 17 5.031 -6.354 4.432
126 HD21 ASN 17 1HD2 ASN 17 5.114 -8.231 2.708
127 HD22 ASN 17 2HD2 ASN 17 5.874 -9.723 3.253
128 H GLY 18 H GLY 18 5.411 -7.538 8.807
129 HA2 GLY 18 2HA GLY 18 7.444 -7.651 9.923
130 HA3 GLY 18 3HA GLY 18 8.197 -7.829 8.335
131 H ALA 19 H ALA 19 9.366 -6.163 7.518
132 HA ALA 19 HA ALA 19 9.802 -3.758 9.149
133 HB1 ALA 19 1HB ALA 19 11.665 -5.072 8.232
134 HB2 ALA 19 2HB ALA 19 11.106 -4.719 6.581
135 HB3 ALA 19 3HB ALA 19 11.661 -3.400 7.639
136 H LYS 20 H LYS 20 7.837 -4.498 6.314
137 HA LYS 20 HA LYS 20 8.029 -1.668 5.343
138 HB2 LYS 20 2HB LYS 20 7.051 -4.089 3.791
139 HB3 LYS 20 3HB LYS 20 7.343 -2.462 3.195
140 HG2 LYS 20 2HG LYS 20 9.308 -3.311 2.500
141 HG3 LYS 20 3HG LYS 20 9.828 -2.983 4.155
142 HD2 LYS 20 2HD LYS 20 9.148 -5.382 4.722
143 HD3 LYS 20 3HD LYS 20 8.825 -5.632 2.998
144 HE2 LYS 20 2HE LYS 20 11.186 -5.038 2.471
145 HE3 LYS 20 3HE LYS 20 11.500 -4.770 4.191
146 HZ1 LYS 20 1HZ LYS 20 10.820 -7.361 2.913
147 HZ2 LYS 20 2HZ LYS 20 12.214 -6.956 3.641
148 HZ3 LYS 20 3HZ LYS 20 10.876 -7.136 4.556
149 H ARG 21 H ARG 21 6.361 -0.372 5.110
150 HA ARG 21 HA ARG 21 3.550 -1.385 5.326
151 HB2 ARG 21 2HB ARG 21 2.985 0.129 6.883
152 HB3 ARG 21 3HB ARG 21 4.664 0.035 7.332
153 HG2 ARG 21 2HG ARG 21 4.992 2.156 5.843
154 HG3 ARG 21 3HG ARG 21 3.234 2.219 5.797
155 HD2 ARG 21 2HD ARG 21 3.460 2.005 8.441
156 HD3 ARG 21 3HD ARG 21 5.074 2.651 8.138
157 HE ARG 21 HE ARG 21 2.506 3.954 7.234
158 HH11 ARG 21 1HH1 ARG 21 5.775 4.513 8.529
159 HH12 ARG 21 2HH1 ARG 21 5.563 6.230 8.399
160 HH21 ARG 21 1HH2 ARG 21 2.248 6.152 7.635
161 HH22 ARG 21 2HH2 ARG 21 3.679 7.104 7.797
162 H CYS 22 H CYS 22 2.083 0.525 4.445
163 HA CYS 22 HA CYS 22 2.998 1.440 1.824
164 HB2 CYS 22 2HB CYS 22 0.548 2.169 3.484
165 HB3 CYS 22 3HB CYS 22 0.900 2.757 1.848
166 H GLY 23 H GLY 23 1.766 4.101 3.542
167 HA2 GLY 23 2HA GLY 23 2.613 6.050 4.392
168 HA3 GLY 23 3HA GLY 23 3.882 5.026 5.062
169 H THR 24 H THR 24 5.631 4.482 3.437
170 HA THR 24 HA THR 24 6.078 6.398 1.206
171 HB THR 24 HB THR 24 8.443 6.610 1.689
172 HG1 THR 24 HG1 THR 24 7.827 5.059 3.983
173 HG21 THR 24 1HG2 THR 24 6.934 7.356 4.219
174 HG22 THR 24 2HG2 THR 24 8.455 8.043 3.618
175 HG23 THR 24 3HG2 THR 24 6.953 8.312 2.717
176 H CYS 25 H CYS 25 6.158 3.155 2.388
177 HA CYS 25 HA CYS 25 7.327 1.283 1.842
178 HB2 CYS 25 2HB CYS 25 5.965 0.148 0.400
179 HB3 CYS 25 3HB CYS 25 4.970 1.454 0.907
180 H ARG 26 H ARG 26 7.248 1.530 -1.428
181 HA ARG 26 HA ARG 26 9.819 2.969 -1.756
182 HB2 ARG 26 2HB ARG 26 8.768 0.628 -3.404
183 HB3 ARG 26 3HB ARG 26 10.061 1.696 -3.965
184 HG2 ARG 26 2HG ARG 26 10.192 -0.024 -1.453
185 HG3 ARG 26 3HG ARG 26 10.912 -0.433 -3.013
186 HD2 ARG 26 2HD ARG 26 12.322 1.563 -2.955
187 HD3 ARG 26 3HD ARG 26 11.578 2.079 -1.458
188 HE ARG 26 HE ARG 26 13.650 0.061 -1.824
189 HH11 ARG 26 1HH1 ARG 26 11.199 1.150 0.512
190 HH12 ARG 26 2HH1 ARG 26 11.994 0.250 1.784
191 HH21 ARG 26 1HH2 ARG 26 14.668 -0.778 -0.070
192 HH22 ARG 26 2HH2 ARG 26 13.991 -0.583 1.520
193 H GLN 27 H GLN 27 6.494 3.102 -2.094
194 HA GLN 27 HA GLN 27 6.822 5.530 -3.739
195 HB2 GLN 27 2HB GLN 27 6.245 3.813 -5.329
196 HB3 GLN 27 3HB GLN 27 4.844 3.322 -4.382
197 HG2 GLN 27 2HG GLN 27 4.303 4.667 -6.389
198 HG3 GLN 27 3HG GLN 27 3.678 5.368 -4.903
199 HE21 GLN 27 1HE2 GLN 27 4.363 7.491 -4.301
200 HE22 GLN 27 2HE2 GLN 27 5.506 8.400 -5.289
201 H PHE 28 H PHE 28 3.871 3.911 -2.412
202 HA PHE 28 HA PHE 28 1.975 4.826 -1.651
203 HB2 PHE 28 2HB PHE 28 3.373 4.701 0.411
204 HB3 PHE 28 3HB PHE 28 3.772 6.397 0.209
205 HD1 PHE 28 HD1 PHE 28 0.656 4.228 0.254
206 HD2 PHE 28 HD2 PHE 28 2.472 7.950 1.444
207 HE1 PHE 28 HE1 PHE 28 -1.369 4.806 1.541
208 HE2 PHE 28 HE2 PHE 28 0.453 8.512 2.762
209 HZ PHE 28 HZ PHE 28 -1.485 6.948 2.798
210 H ARG 29 H ARG 29 0.627 6.875 -1.077
211 HA ARG 29 HA ARG 29 1.665 9.417 -2.076
212 HB2 ARG 29 2HB ARG 29 0.777 8.403 -4.129
213 HB3 ARG 29 3HB ARG 29 -0.770 8.126 -3.359
214 HG2 ARG 29 2HG ARG 29 -0.938 10.004 -4.802
215 HG3 ARG 29 3HG ARG 29 -1.076 10.608 -3.143
216 HD2 ARG 29 2HD ARG 29 1.379 11.220 -3.233
217 HD3 ARG 29 3HD ARG 29 1.391 10.715 -4.933
218 HE ARG 29 HE ARG 29 -0.682 12.581 -4.728
219 HH11 ARG 29 1HH1 ARG 29 2.816 12.613 -4.470
220 HH12 ARG 29 2HH1 ARG 29 2.905 14.341 -4.689
221 HH21 ARG 29 1HH2 ARG 29 -0.468 14.808 -5.013
222 HH22 ARG 29 2HH2 ARG 29 1.119 15.534 -4.847
223 HA PRO 30 HA PRO 30 -0.833 10.132 1.651
224 HB2 PRO 30 2HB PRO 30 0.168 12.946 1.179
225 HB3 PRO 30 3HB PRO 30 0.041 12.038 2.718
226 HG2 PRO 30 2HG PRO 30 2.434 12.265 1.486
227 HG3 PRO 30 3HG PRO 30 1.927 10.679 2.160
228 HD2 PRO 30 2HD PRO 30 1.783 11.637 -0.716
229 HD3 PRO 30 3HD PRO 30 2.364 10.066 -0.070
230 HA PRO 31 HA PRO 31 -2.204 11.191 3.111
231 HB2 PRO 31 2HB PRO 31 -4.744 11.403 3.991
232 HB3 PRO 31 3HB PRO 31 -3.765 12.839 3.561
233 HG2 PRO 31 2HG PRO 31 -5.830 11.412 1.844
234 HG3 PRO 31 3HG PRO 31 -5.683 13.169 2.169
235 HD2 PRO 31 2HD PRO 31 -4.641 11.980 -0.077
236 HD3 PRO 31 3HD PRO 31 -3.878 13.391 0.711
237 H SER 32 H SER 32 -4.464 9.652 0.869
238 HA SER 32 HA SER 32 -4.219 7.011 2.199
239 HB2 SER 32 2HB SER 32 -6.640 6.696 2.173
240 HB3 SER 32 3HB SER 32 -6.198 8.071 3.190
241 HG SER 32 HG SER 32 -8.019 8.198 1.548
242 H SER 33 H SER 33 -3.000 7.876 -0.232
243 HA SER 33 HA SER 33 -4.481 6.333 -2.317
244 HB2 SER 33 2HB SER 33 -2.829 8.856 -2.692
245 HB3 SER 33 3HB SER 33 -3.596 7.913 -3.974
246 HG SER 33 HG SER 33 -4.717 9.823 -3.219
247 H CYS 34 H CYS 34 -2.984 5.587 -4.095
248 HA CYS 34 HA CYS 34 -0.139 5.385 -3.339
249 HB2 CYS 34 2HB CYS 34 -1.148 3.331 -2.445
250 HB3 CYS 34 3HB CYS 34 -1.821 2.943 -4.032
251 H ILE 35 H ILE 35 1.021 4.296 -5.235
252 HA ILE 35 HA ILE 35 -0.116 5.039 -7.854
253 HB ILE 35 HB ILE 35 2.757 5.759 -7.599
254 HG12 ILE 35 2HG1 ILE 35 0.569 7.607 -6.561
255 HG13 ILE 35 3HG1 ILE 35 1.945 6.960 -5.657
256 HG21 ILE 35 1HG2 ILE 35 0.413 7.045 -9.071
257 HG22 ILE 35 2HG2 ILE 35 2.135 7.332 -9.380
258 HG23 ILE 35 3HG2 ILE 35 1.431 5.769 -9.762
259 HD11 ILE 35 1HD1 ILE 35 1.989 9.066 -7.834
260 HD12 ILE 35 2HD1 ILE 35 2.511 9.191 -6.149
261 HD13 ILE 35 3HD1 ILE 35 3.459 8.224 -7.290
262 H THR 36 H THR 36 0.939 2.621 -6.063
263 HA THR 36 HA THR 36 1.700 1.087 -8.525
264 HB THR 36 HB THR 36 1.940 -0.274 -5.904
265 HG1 THR 36 HG1 THR 36 3.205 1.065 -5.098
266 HG21 THR 36 1HG2 THR 36 3.788 -0.045 -8.305
267 HG22 THR 36 2HG2 THR 36 3.974 -1.154 -6.939
268 HG23 THR 36 3HG2 THR 36 2.595 -1.346 -8.039
269 H VAL 37 H VAL 37 -0.621 1.551 -5.953
270 HA VAL 37 HA VAL 37 -2.472 -0.417 -7.192
271 HB VAL 37 HB VAL 37 -3.160 -1.263 -5.145
272 HG11 VAL 37 1HG1 VAL 37 -0.141 -1.034 -4.783
273 HG12 VAL 37 2HG1 VAL 37 -1.197 -2.301 -4.187
274 HG13 VAL 37 3HG1 VAL 37 -0.929 -2.121 -5.942
275 HG21 VAL 37 1HG2 VAL 37 -3.167 0.775 -3.717
276 HG22 VAL 37 2HG2 VAL 37 -2.378 -0.594 -2.935
277 HG23 VAL 37 3HG2 VAL 37 -1.391 0.689 -3.635
278 H GLU 38 H GLU 38 -4.771 -0.065 -6.526
279 HA GLU 38 HA GLU 38 -5.808 2.471 -7.004
280 HB2 GLU 38 2HB GLU 38 -6.866 -0.034 -5.719
281 HB3 GLU 38 3HB GLU 38 -7.813 1.419 -5.519
282 HG2 GLU 38 2HG GLU 38 -7.797 1.760 -7.978
283 HG3 GLU 38 3HG GLU 38 -7.042 0.174 -8.162
284 H SER 39 H SER 39 -7.017 3.901 -5.836
285 HA SER 39 HA SER 39 -6.593 4.165 -2.901
286 HB2 SER 39 2HB SER 39 -7.475 6.484 -3.188
287 HB3 SER 39 3HB SER 39 -5.953 6.197 -4.043
288 HG SER 39 HG SER 39 -7.505 7.317 -5.316
289 HA PRO 40 HA PRO 40 -7.850 5.399 -1.257
290 HB2 PRO 40 2HB PRO 40 -9.417 4.945 0.862
291 HB3 PRO 40 3HB PRO 40 -9.922 6.073 -0.432
292 HG2 PRO 40 2HG PRO 40 -10.708 3.146 -0.131
293 HG3 PRO 40 3HG PRO 40 -11.786 4.553 -0.358
294 HD2 PRO 40 2HD PRO 40 -10.949 3.014 -2.448
295 HD3 PRO 40 3HD PRO 40 -11.198 4.772 -2.627
296 H ILE 41 H ILE 41 -6.386 4.640 0.225
297 HA ILE 41 HA ILE 41 -6.274 1.767 0.968
298 HB ILE 41 HB ILE 41 -5.270 2.209 -1.276
299 HG12 ILE 41 2HG1 ILE 41 -4.655 0.215 -0.074
300 HG13 ILE 41 3HG1 ILE 41 -3.465 0.811 -1.201
301 HG21 ILE 41 1HG2 ILE 41 -3.082 3.228 -1.482
302 HG22 ILE 41 2HG2 ILE 41 -4.313 4.375 -0.964
303 HG23 ILE 41 3HG2 ILE 41 -3.134 3.760 0.212
304 HD11 ILE 41 1HD1 ILE 41 -2.165 1.767 0.787
305 HD12 ILE 41 2HD1 ILE 41 -3.234 0.762 1.804
306 HD13 ILE 41 3HD1 ILE 41 -2.211 0.021 0.585
307 H SER 42 H SER 42 -4.942 1.373 2.817
308 HA SER 42 HA SER 42 -4.813 3.551 4.722
309 HB2 SER 42 2HB SER 42 -5.265 1.175 5.306
310 HB3 SER 42 3HB SER 42 -3.596 0.767 4.882
311 HG SER 42 HG SER 42 -3.608 1.154 7.042
312 H GLU 43 H GLU 43 -3.019 4.590 5.629
313 HA GLU 43 HA GLU 43 -0.527 4.647 4.140
314 HB2 GLU 43 2HB GLU 43 0.260 6.155 5.817
315 HB3 GLU 43 3HB GLU 43 -1.368 6.626 5.347
316 HG2 GLU 43 2HG GLU 43 -2.333 5.861 7.337
317 HG3 GLU 43 3HG GLU 43 -0.947 4.869 7.766
318 H ASN 44 H ASN 44 -1.630 2.248 6.200
319 HA ASN 44 HA ASN 44 1.140 1.560 7.098
320 HB2 ASN 44 2HB ASN 44 0.239 0.629 9.096
321 HB3 ASN 44 3HB ASN 44 -0.465 2.236 8.914
322 HD21 ASN 44 1HD2 ASN 44 -1.973 1.548 10.487
323 HD22 ASN 44 2HD2 ASN 44 -3.397 0.734 9.824
324 H GLY 45 H GLY 45 -1.010 0.473 4.767
325 HA2 GLY 45 2HA GLY 45 -1.419 -2.213 5.456
326 HA3 GLY 45 3HA GLY 45 -1.501 -1.558 3.823
327 H TRP 46 H TRP 46 0.824 -1.111 2.939
328 HA TRP 46 HA TRP 46 2.494 -2.045 1.826
329 HB2 TRP 46 2HB TRP 46 3.634 -2.897 3.784
330 HB3 TRP 46 3HB TRP 46 2.641 -4.346 3.761
331 HD1 TRP 46 HD1 TRP 46 5.341 -2.589 1.683
332 HE1 TRP 46 HE1 TRP 46 6.486 -4.313 0.153
333 HE3 TRP 46 HE3 TRP 46 2.290 -6.603 2.506
334 HZ2 TRP 46 HZ2 TRP 46 6.344 -7.157 -0.329
335 HZ3 TRP 46 HZ3 TRP 46 2.759 -8.788 1.419
336 HH2 TRP 46 HH2 TRP 46 4.804 -9.084 0.032
337 H CYS 47 H CYS 47 2.514 -3.217 -0.042
338 HA CYS 47 HA CYS 47 0.522 -5.382 -0.430
339 HB2 CYS 47 2HB CYS 47 -0.140 -4.497 -2.548
340 HB3 CYS 47 3HB CYS 47 -0.138 -3.089 -1.473
341 H ARG 48 H ARG 48 1.058 -6.862 -2.137
342 HA ARG 48 HA ARG 48 3.867 -7.643 -2.081
343 HB2 ARG 48 2HB ARG 48 1.533 -8.710 -3.746
344 HB3 ARG 48 3HB ARG 48 3.113 -9.475 -3.586
345 HG2 ARG 48 2HG ARG 48 2.722 -9.784 -1.144
346 HG3 ARG 48 3HG ARG 48 1.150 -9.008 -1.299
347 HD2 ARG 48 2HD ARG 48 0.780 -11.384 -1.295
348 HD3 ARG 48 3HD ARG 48 0.421 -10.741 -2.903
349 HE ARG 48 HE ARG 48 3.157 -11.788 -2.512
350 HH11 ARG 48 1HH1 ARG 48 -0.083 -12.608 -3.743
351 HH12 ARG 48 2HH1 ARG 48 0.632 -13.744 -4.891
352 HH21 ARG 48 1HH2 ARG 48 3.816 -13.491 -3.815
353 HH22 ARG 48 2HH2 ARG 48 2.645 -14.198 -4.921
354 H LEU 49 H LEU 49 1.975 -5.644 -4.151
355 HA LEU 49 HA LEU 49 3.648 -6.010 -6.513
356 HB2 LEU 49 2HB LEU 49 1.099 -5.691 -6.354
357 HB3 LEU 49 3HB LEU 49 1.450 -3.982 -6.076
358 HG LEU 49 HG LEU 49 2.557 -3.897 -8.330
359 HD11 LEU 49 1HD1 LEU 49 3.215 -6.265 -8.619
360 HD12 LEU 49 2HD1 LEU 49 1.507 -6.758 -8.573
361 HD13 LEU 49 3HD1 LEU 49 2.122 -5.774 -9.914
362 HD21 LEU 49 1HD2 LEU 49 0.178 -3.308 -8.048
363 HD22 LEU 49 2HD2 LEU 49 0.468 -4.074 -9.621
364 HD23 LEU 49 3HD2 LEU 49 -0.279 -5.008 -8.317
365 H TYR 50 H TYR 50 3.819 -3.953 -3.786
366 HA TYR 50 HA TYR 50 4.473 -1.524 -4.472
367 HB2 TYR 50 2HB TYR 50 5.535 -1.243 -2.451
368 HB3 TYR 50 3HB TYR 50 4.473 -2.606 -2.192
369 HD1 TYR 50 HD1 TYR 50 5.843 -4.996 -2.941
370 HD2 TYR 50 HD2 TYR 50 7.497 -1.400 -1.239
371 HE1 TYR 50 HE1 TYR 50 7.795 -6.288 -2.134
372 HE2 TYR 50 HE2 TYR 50 9.426 -2.714 -0.357
373 HH TYR 50 HH TYR 50 9.739 -6.237 -0.987
374 H ALA 51 H ALA 51 6.190 -0.164 -4.838
375 HA ALA 51 HA ALA 51 7.272 -0.727 -7.261
376 HB1 ALA 51 1HB ALA 51 6.704 1.509 -6.384
377 HB2 ALA 51 2HB ALA 51 8.172 1.493 -5.378
378 HB3 ALA 51 3HB ALA 51 8.306 1.484 -7.143
379 H GLY 52 H GLY 52 9.212 -1.026 -8.271
380 HA2 GLY 52 2HA GLY 52 11.499 -1.968 -6.732
381 HA3 GLY 52 3HA GLY 52 11.261 -2.159 -8.445
382 H LYS 53 H LYS 53 12.859 -0.473 -6.165
383 HA LYS 53 HA LYS 53 13.478 1.914 -7.864
384 HB2 LYS 53 2HB LYS 53 13.259 1.426 -4.934
385 HB3 LYS 53 3HB LYS 53 14.547 2.506 -5.445
386 HG2 LYS 53 2HG LYS 53 12.380 3.600 -4.819
387 HG3 LYS 53 3HG LYS 53 13.099 4.079 -6.350
388 HD2 LYS 53 2HD LYS 53 11.435 2.684 -7.582
389 HD3 LYS 53 3HD LYS 53 10.781 2.136 -6.041
390 HE2 LYS 53 2HE LYS 53 9.314 3.853 -6.807
391 HE3 LYS 53 3HE LYS 53 10.269 4.571 -5.506
392 HZ1 LYS 53 1HZ LYS 53 10.786 4.963 -8.401
393 HZ2 LYS 53 2HZ LYS 53 10.113 6.064 -7.359
394 HZ3 LYS 53 3HZ LYS 53 11.677 5.610 -7.199
395 H ALA 54 H ALA 54 15.180 1.468 -9.147
396 HA ALA 54 HA ALA 54 17.331 -0.353 -8.309
397 HB1 ALA 54 1HB ALA 54 18.170 -0.074 -10.580
398 HB2 ALA 54 2HB ALA 54 16.441 -0.467 -10.598
399 HB3 ALA 54 3HB ALA 54 16.982 1.200 -10.901
Start of MODEL 18
1 H1 VAL 1 1H VAL 1 6.404 5.337 -16.302
2 H2 VAL 1 2H VAL 1 6.031 6.886 -16.663
3 H3 VAL 1 3H VAL 1 4.983 5.673 -17.037
4 HA VAL 1 HA VAL 1 5.793 6.210 -14.259
5 HB VAL 1 HB VAL 1 3.480 7.433 -15.779
6 HG11 VAL 1 1HG1 VAL 1 3.942 7.517 -12.762
7 HG12 VAL 1 2HG1 VAL 1 2.731 8.442 -13.666
8 HG13 VAL 1 3HG1 VAL 1 2.600 6.691 -13.583
9 HG21 VAL 1 1HG2 VAL 1 5.631 8.679 -15.890
10 HG22 VAL 1 2HG2 VAL 1 4.451 9.545 -14.915
11 HG23 VAL 1 3HG2 VAL 1 5.746 8.632 -14.117
12 H THR 2 H THR 2 4.859 4.811 -12.790
13 HA THR 2 HA THR 2 3.844 2.297 -13.744
14 HB THR 2 HB THR 2 3.761 3.540 -10.974
15 HG1 THR 2 HG1 THR 2 5.606 1.659 -12.013
16 HG21 THR 2 1HG2 THR 2 2.292 1.646 -10.909
17 HG22 THR 2 2HG2 THR 2 3.410 0.655 -11.873
18 HG23 THR 2 3HG2 THR 2 3.827 1.118 -10.212
19 H LYS 3 H LYS 3 1.772 1.469 -13.879
20 HA LYS 3 HA LYS 3 -0.521 3.336 -13.450
21 HB2 LYS 3 2HB LYS 3 -0.094 2.096 -15.693
22 HB3 LYS 3 3HB LYS 3 -0.607 0.653 -14.819
23 HG2 LYS 3 2HG LYS 3 -2.514 1.351 -15.950
24 HG3 LYS 3 3HG LYS 3 -2.797 1.915 -14.301
25 HD2 LYS 3 2HD LYS 3 -2.021 4.199 -15.004
26 HD3 LYS 3 3HD LYS 3 -1.789 3.610 -16.648
27 HE2 LYS 3 2HE LYS 3 -4.455 3.656 -15.146
28 HE3 LYS 3 3HE LYS 3 -3.914 4.881 -16.292
29 HZ1 LYS 3 1HZ LYS 3 -3.812 3.079 -17.997
30 HZ2 LYS 3 2HZ LYS 3 -4.541 2.059 -16.906
31 HZ3 LYS 3 3HZ LYS 3 -5.323 3.386 -17.451
32 H LYS 4 H LYS 4 -1.960 2.978 -11.828
33 HA LYS 4 HA LYS 4 -1.626 1.129 -9.777
34 HB2 LYS 4 2HB LYS 4 -4.136 2.548 -10.577
35 HB3 LYS 4 3HB LYS 4 -3.824 1.757 -9.032
36 HG2 LYS 4 2HG LYS 4 -2.039 3.224 -8.501
37 HG3 LYS 4 3HG LYS 4 -1.935 3.904 -10.077
38 HD2 LYS 4 2HD LYS 4 -3.023 5.490 -8.562
39 HD3 LYS 4 3HD LYS 4 -4.006 5.037 -9.955
40 HE2 LYS 4 2HE LYS 4 -4.963 3.198 -8.298
41 HE3 LYS 4 3HE LYS 4 -4.338 4.278 -7.053
42 HZ1 LYS 4 1HZ LYS 4 -5.689 6.067 -8.187
43 HZ2 LYS 4 2HZ LYS 4 -6.252 4.939 -9.238
44 HZ3 LYS 4 3HZ LYS 4 -6.677 4.852 -7.661
45 H ALA 5 H ALA 5 -2.448 -0.716 -9.201
46 HA ALA 5 HA ALA 5 -4.401 -2.236 -10.890
47 HB1 ALA 5 1HB ALA 5 -3.364 -4.282 -10.018
48 HB2 ALA 5 2HB ALA 5 -2.145 -3.296 -10.833
49 HB3 ALA 5 3HB ALA 5 -2.216 -3.323 -9.056
50 H SER 6 H SER 6 -5.633 -3.909 -9.272
51 HA SER 6 HA SER 6 -6.865 -2.190 -7.256
52 HB2 SER 6 2HB SER 6 -8.279 -4.113 -6.726
53 HB3 SER 6 3HB SER 6 -8.267 -3.741 -8.458
54 HG SER 6 HG SER 6 -6.950 -5.429 -8.849
55 H HIS 7 H HIS 7 -6.953 -2.529 -5.077
56 HA HIS 7 HA HIS 7 -4.907 -3.165 -3.289
57 HB2 HIS 7 2HB HIS 7 -7.032 -3.705 -1.846
58 HB3 HIS 7 3HB HIS 7 -6.757 -2.076 -2.458
59 HD2 HIS 7 HD2 HIS 7 -8.606 -1.025 -4.048
60 HE1 HIS 7 HE1 HIS 7 -11.143 -4.425 -4.439
61 HE2 HIS 7 HE2 HIS 7 -10.948 -1.941 -4.867
62 H LYS 8 H LYS 8 -6.458 -5.294 -5.183
63 HA LYS 8 HA LYS 8 -6.198 -7.733 -3.499
64 HB2 LYS 8 2HB LYS 8 -8.489 -7.001 -4.161
65 HB3 LYS 8 3HB LYS 8 -8.039 -7.208 -5.848
66 HG2 LYS 8 2HG LYS 8 -9.261 -9.065 -5.094
67 HG3 LYS 8 3HG LYS 8 -7.632 -9.636 -5.431
68 HD2 LYS 8 2HD LYS 8 -7.062 -9.784 -3.104
69 HD3 LYS 8 3HD LYS 8 -8.470 -8.842 -2.605
70 HE2 LYS 8 2HE LYS 8 -9.971 -10.688 -3.277
71 HE3 LYS 8 3HE LYS 8 -8.593 -11.599 -3.909
72 HZ1 LYS 8 1HZ LYS 8 -9.057 -12.439 -1.741
73 HZ2 LYS 8 2HZ LYS 8 -7.684 -11.588 -1.593
74 HZ3 LYS 8 3HZ LYS 8 -9.065 -10.935 -1.052
75 H ASP 9 H ASP 9 -6.107 -6.930 -6.984
76 HA ASP 9 HA ASP 9 -4.374 -8.997 -7.823
77 HB2 ASP 9 2HB ASP 9 -5.534 -7.093 -9.199
78 HB3 ASP 9 3HB ASP 9 -4.088 -6.183 -8.863
79 H ALA 10 H ALA 10 -3.545 -5.874 -6.378
80 HA ALA 10 HA ALA 10 -0.683 -6.385 -6.310
81 HB1 ALA 10 1HB ALA 10 -2.348 -4.223 -4.962
82 HB2 ALA 10 2HB ALA 10 -0.593 -4.210 -5.190
83 HB3 ALA 10 3HB ALA 10 -1.667 -4.122 -6.602
84 H GLY 11 H GLY 11 -3.050 -7.765 -4.377
85 HA2 GLY 11 2HA GLY 11 -2.943 -8.925 -2.417
86 HA3 GLY 11 3HA GLY 11 -1.194 -8.912 -2.633
87 H TYR 12 H TYR 12 -3.294 -6.065 -1.941
88 HA TYR 12 HA TYR 12 -1.498 -5.312 0.202
89 HB2 TYR 12 2HB TYR 12 -2.071 -3.498 -1.046
90 HB3 TYR 12 3HB TYR 12 -3.728 -3.941 -1.222
91 HD1 TYR 12 HD1 TYR 12 -5.361 -3.680 0.687
92 HD2 TYR 12 HD2 TYR 12 -1.394 -1.972 0.704
93 HE1 TYR 12 HE1 TYR 12 -6.063 -2.043 2.424
94 HE2 TYR 12 HE2 TYR 12 -2.115 -0.313 2.381
95 HH TYR 12 HH TYR 12 -5.481 -0.249 3.678
96 H GLN 13 H GLN 13 -1.837 -5.004 2.297
97 HA GLN 13 HA GLN 13 -4.285 -6.048 3.633
98 HB2 GLN 13 2HB GLN 13 -2.700 -6.645 5.571
99 HB3 GLN 13 3HB GLN 13 -2.803 -7.752 4.223
100 HG2 GLN 13 2HG GLN 13 -0.659 -6.973 3.331
101 HG3 GLN 13 3HG GLN 13 -0.590 -5.684 4.546
102 HE21 GLN 13 1HE2 GLN 13 0.737 -5.995 6.105
103 HE22 GLN 13 2HE2 GLN 13 1.006 -7.551 6.851
104 H GLU 14 H GLU 14 -4.828 -4.965 5.579
105 HA GLU 14 HA GLU 14 -4.151 -2.125 5.348
106 HB2 GLU 14 2HB GLU 14 -6.056 -1.646 6.472
107 HB3 GLU 14 3HB GLU 14 -6.478 -3.121 5.604
108 HG2 GLU 14 2HG GLU 14 -5.955 -4.384 7.740
109 HG3 GLU 14 3HG GLU 14 -5.835 -2.837 8.569
110 H SER 15 H SER 15 -2.477 -4.391 6.812
111 HA SER 15 HA SER 15 -1.413 -2.502 8.858
112 HB2 SER 15 2HB SER 15 -0.412 -4.620 9.961
113 HB3 SER 15 3HB SER 15 -2.070 -4.190 10.283
114 HG SER 15 HG SER 15 -2.759 -5.843 9.069
115 HA PRO 16 HA PRO 16 2.592 -2.914 6.886
116 HB2 PRO 16 2HB PRO 16 3.800 -3.223 9.581
117 HB3 PRO 16 3HB PRO 16 4.155 -2.007 8.351
118 HG2 PRO 16 2HG PRO 16 2.767 -1.364 10.618
119 HG3 PRO 16 3HG PRO 16 2.332 -0.648 9.035
120 HD2 PRO 16 2HD PRO 16 1.001 -3.021 10.418
121 HD3 PRO 16 3HD PRO 16 0.279 -1.591 9.669
122 H ASN 17 H ASN 17 3.938 -4.641 6.326
123 HA ASN 17 HA ASN 17 3.401 -7.302 7.593
124 HB2 ASN 17 2HB ASN 17 2.931 -7.205 5.203
125 HB3 ASN 17 3HB ASN 17 4.471 -6.502 4.886
126 HD21 ASN 17 1HD2 ASN 17 4.649 -8.346 3.361
127 HD22 ASN 17 2HD2 ASN 17 5.122 -9.917 3.963
128 H GLY 18 H GLY 18 4.610 -6.445 9.422
129 HA2 GLY 18 2HA GLY 18 6.474 -6.176 10.748
130 HA3 GLY 18 3HA GLY 18 7.233 -7.378 9.710
131 H ALA 19 H ALA 19 8.867 -6.759 8.399
132 HA ALA 19 HA ALA 19 10.225 -4.358 8.893
133 HB1 ALA 19 1HB ALA 19 10.523 -6.385 6.639
134 HB2 ALA 19 2HB ALA 19 11.737 -5.170 7.086
135 HB3 ALA 19 3HB ALA 19 11.301 -6.449 8.232
136 H LYS 20 H LYS 20 7.660 -4.821 6.543
137 HA LYS 20 HA LYS 20 8.389 -2.267 5.127
138 HB2 LYS 20 2HB LYS 20 6.856 -4.584 3.951
139 HB3 LYS 20 3HB LYS 20 7.543 -3.194 3.120
140 HG2 LYS 20 2HG LYS 20 9.224 -4.589 2.565
141 HG3 LYS 20 3HG LYS 20 9.815 -4.370 4.208
142 HD2 LYS 20 2HD LYS 20 8.271 -6.351 4.833
143 HD3 LYS 20 3HD LYS 20 8.034 -6.597 3.096
144 HE2 LYS 20 2HE LYS 20 10.477 -6.859 2.783
145 HE3 LYS 20 3HE LYS 20 10.740 -6.579 4.504
146 HZ1 LYS 20 1HZ LYS 20 9.351 -8.905 3.294
147 HZ2 LYS 20 2HZ LYS 20 10.760 -8.906 4.080
148 HZ3 LYS 20 3HZ LYS 20 9.382 -8.596 4.938
149 H ARG 21 H ARG 21 6.818 -0.770 4.701
150 HA ARG 21 HA ARG 21 3.968 -1.477 4.861
151 HB2 ARG 21 2HB ARG 21 3.389 -0.292 6.659
152 HB3 ARG 21 3HB ARG 21 5.076 -0.439 7.128
153 HG2 ARG 21 2HG ARG 21 5.512 1.819 6.096
154 HG3 ARG 21 3HG ARG 21 3.768 1.921 5.776
155 HD2 ARG 21 2HD ARG 21 3.432 1.486 8.285
156 HD3 ARG 21 3HD ARG 21 5.150 1.808 8.463
157 HE ARG 21 HE ARG 21 3.073 3.725 7.431
158 HH11 ARG 21 1HH1 ARG 21 6.325 3.412 8.880
159 HH12 ARG 21 2HH1 ARG 21 6.482 5.162 8.854
160 HH21 ARG 21 1HH2 ARG 21 3.283 5.811 8.007
161 HH22 ARG 21 2HH2 ARG 21 4.869 6.421 8.467
162 H CYS 22 H CYS 22 2.553 0.211 3.843
163 HA CYS 22 HA CYS 22 3.350 1.218 1.403
164 HB2 CYS 22 2HB CYS 22 1.270 2.243 3.404
165 HB3 CYS 22 3HB CYS 22 1.336 2.743 1.716
166 H GLY 23 H GLY 23 3.235 3.239 4.379
167 HA2 GLY 23 2HA GLY 23 4.496 5.552 3.374
168 HA3 GLY 23 3HA GLY 23 4.399 5.039 5.057
169 H THR 24 H THR 24 6.067 2.554 3.658
170 HA THR 24 HA THR 24 8.725 3.856 3.507
171 HB THR 24 HB THR 24 9.732 1.976 4.757
172 HG1 THR 24 HG1 THR 24 8.453 0.649 5.954
173 HG21 THR 24 1HG2 THR 24 7.630 3.432 6.404
174 HG22 THR 24 2HG2 THR 24 9.128 2.685 6.993
175 HG23 THR 24 3HG2 THR 24 9.211 4.097 5.930
176 H CYS 25 H CYS 25 6.541 2.267 1.675
177 HA CYS 25 HA CYS 25 8.311 0.281 0.461
178 HB2 CYS 25 2HB CYS 25 6.418 -0.335 -0.800
179 HB3 CYS 25 3HB CYS 25 5.714 0.144 0.754
180 H ARG 26 H ARG 26 7.689 3.568 -0.022
181 HA ARG 26 HA ARG 26 8.483 5.174 -1.393
182 HB2 ARG 26 2HB ARG 26 9.692 3.224 -3.328
183 HB3 ARG 26 3HB ARG 26 10.044 4.935 -3.097
184 HG2 ARG 26 2HG ARG 26 10.798 4.319 -0.735
185 HG3 ARG 26 3HG ARG 26 10.757 2.643 -1.214
186 HD2 ARG 26 2HD ARG 26 12.419 4.786 -2.548
187 HD3 ARG 26 3HD ARG 26 13.019 3.460 -1.549
188 HE ARG 26 HE ARG 26 12.183 1.868 -3.244
189 HH11 ARG 26 1HH1 ARG 26 12.883 5.133 -4.411
190 HH12 ARG 26 2HH1 ARG 26 12.656 4.652 -6.084
191 HH21 ARG 26 1HH2 ARG 26 12.331 1.318 -5.477
192 HH22 ARG 26 2HH2 ARG 26 12.668 2.591 -6.603
193 H GLN 27 H GLN 27 5.904 3.508 -1.818
194 HA GLN 27 HA GLN 27 5.224 4.850 -4.402
195 HB2 GLN 27 2HB GLN 27 5.706 2.288 -4.228
196 HB3 GLN 27 3HB GLN 27 4.148 2.212 -3.440
197 HG2 GLN 27 2HG GLN 27 3.899 1.619 -5.674
198 HG3 GLN 27 3HG GLN 27 3.081 3.148 -5.477
199 HE21 GLN 27 1HE2 GLN 27 4.046 1.865 -7.964
200 HE22 GLN 27 2HE2 GLN 27 5.021 3.138 -8.702
201 H PHE 28 H PHE 28 4.105 4.441 -1.137
202 HA PHE 28 HA PHE 28 1.405 5.045 -1.390
203 HB2 PHE 28 2HB PHE 28 2.407 4.530 0.726
204 HB3 PHE 28 3HB PHE 28 3.443 5.950 0.666
205 HD1 PHE 28 HD1 PHE 28 -0.189 4.939 0.712
206 HD2 PHE 28 HD2 PHE 28 2.734 7.962 1.684
207 HE1 PHE 28 HE1 PHE 28 -1.962 6.328 1.755
208 HE2 PHE 28 HE2 PHE 28 0.966 9.337 2.738
209 HZ PHE 28 HZ PHE 28 -1.387 8.528 2.764
210 H ARG 29 H ARG 29 0.149 6.928 -1.275
211 HA ARG 29 HA ARG 29 1.292 9.474 -2.313
212 HB2 ARG 29 2HB ARG 29 0.734 7.880 -4.154
213 HB3 ARG 29 3HB ARG 29 -0.921 7.823 -3.592
214 HG2 ARG 29 2HG ARG 29 -0.827 9.271 -5.469
215 HG3 ARG 29 3HG ARG 29 -1.140 10.252 -4.035
216 HD2 ARG 29 2HD ARG 29 1.233 10.952 -3.988
217 HD3 ARG 29 3HD ARG 29 1.605 9.833 -5.312
218 HE ARG 29 HE ARG 29 -0.441 11.580 -6.215
219 HH11 ARG 29 1HH1 ARG 29 3.053 11.732 -5.488
220 HH12 ARG 29 2HH1 ARG 29 3.172 13.237 -6.385
221 HH21 ARG 29 1HH2 ARG 29 -0.043 13.529 -7.324
222 HH22 ARG 29 2HH2 ARG 29 1.619 14.116 -7.363
223 HA PRO 30 HA PRO 30 -1.531 10.198 1.123
224 HB2 PRO 30 2HB PRO 30 -0.990 12.863 1.661
225 HB3 PRO 30 3HB PRO 30 0.055 11.497 2.152
226 HG2 PRO 30 2HG PRO 30 0.291 13.231 -0.324
227 HG3 PRO 30 3HG PRO 30 1.580 12.817 0.844
228 HD2 PRO 30 2HD PRO 30 1.326 11.450 -1.456
229 HD3 PRO 30 3HD PRO 30 1.668 10.548 0.057
230 HA PRO 31 HA PRO 31 -2.862 11.339 2.620
231 HB2 PRO 31 2HB PRO 31 -5.431 11.479 3.430
232 HB3 PRO 31 3HB PRO 31 -4.476 12.945 3.056
233 HG2 PRO 31 2HG PRO 31 -6.439 11.507 1.239
234 HG3 PRO 31 3HG PRO 31 -6.371 13.256 1.630
235 HD2 PRO 31 2HD PRO 31 -5.200 12.211 -0.620
236 HD3 PRO 31 3HD PRO 31 -4.484 13.586 0.263
237 H SER 32 H SER 32 -4.918 9.721 0.204
238 HA SER 32 HA SER 32 -4.861 7.182 1.759
239 HB2 SER 32 2HB SER 32 -6.825 8.601 2.372
240 HB3 SER 32 3HB SER 32 -7.340 8.543 0.689
241 HG SER 32 HG SER 32 -8.437 6.984 1.502
242 H SER 33 H SER 33 -3.397 7.874 -0.689
243 HA SER 33 HA SER 33 -4.584 5.893 -2.583
244 HB2 SER 33 2HB SER 33 -3.154 8.460 -3.361
245 HB3 SER 33 3HB SER 33 -3.814 7.241 -4.453
246 HG SER 33 HG SER 33 -5.320 8.820 -2.619
247 H CYS 34 H CYS 34 -2.957 5.111 -4.203
248 HA CYS 34 HA CYS 34 -0.116 5.179 -3.355
249 HB2 CYS 34 2HB CYS 34 -0.932 3.194 -2.312
250 HB3 CYS 34 3HB CYS 34 -1.886 2.738 -3.711
251 H ILE 35 H ILE 35 1.305 4.602 -5.131
252 HA ILE 35 HA ILE 35 0.213 5.444 -7.775
253 HB ILE 35 HB ILE 35 3.007 5.149 -6.683
254 HG12 ILE 35 2HG1 ILE 35 1.606 7.614 -7.781
255 HG13 ILE 35 3HG1 ILE 35 1.545 7.153 -6.085
256 HG21 ILE 35 1HG2 ILE 35 3.910 5.986 -8.812
257 HG22 ILE 35 2HG2 ILE 35 3.063 4.482 -9.093
258 HG23 ILE 35 3HG2 ILE 35 2.286 6.015 -9.519
259 HD11 ILE 35 1HD1 ILE 35 4.007 7.258 -5.935
260 HD12 ILE 35 2HD1 ILE 35 4.080 7.840 -7.615
261 HD13 ILE 35 3HD1 ILE 35 3.276 8.811 -6.382
262 H THR 36 H THR 36 1.180 2.507 -6.161
263 HA THR 36 HA THR 36 1.024 0.945 -8.715
264 HB THR 36 HB THR 36 1.957 0.226 -5.925
265 HG1 THR 36 HG1 THR 36 3.805 -0.194 -6.972
266 HG21 THR 36 1HG2 THR 36 1.632 -1.648 -8.305
267 HG22 THR 36 2HG2 THR 36 2.552 -1.998 -6.821
268 HG23 THR 36 3HG2 THR 36 0.810 -1.789 -6.729
269 H VAL 37 H VAL 37 -0.808 1.733 -5.794
270 HA VAL 37 HA VAL 37 -2.843 -0.314 -6.552
271 HB VAL 37 HB VAL 37 -2.071 0.526 -3.746
272 HG11 VAL 37 1HG1 VAL 37 -3.696 -1.807 -4.829
273 HG12 VAL 37 2HG1 VAL 37 -3.243 -1.558 -3.123
274 HG13 VAL 37 3HG1 VAL 37 -4.342 -0.426 -3.898
275 HG21 VAL 37 1HG2 VAL 37 -0.145 -0.619 -4.614
276 HG22 VAL 37 2HG2 VAL 37 -1.025 -1.793 -3.659
277 HG23 VAL 37 3HG2 VAL 37 -1.162 -1.834 -5.431
278 H GLU 38 H GLU 38 -4.946 0.137 -6.524
279 HA GLU 38 HA GLU 38 -6.178 2.633 -6.468
280 HB2 GLU 38 2HB GLU 38 -7.147 -0.138 -5.732
281 HB3 GLU 38 3HB GLU 38 -8.204 1.260 -5.588
282 HG2 GLU 38 2HG GLU 38 -7.718 1.839 -7.977
283 HG3 GLU 38 3HG GLU 38 -6.840 0.317 -8.138
284 H SER 39 H SER 39 -7.523 3.715 -5.127
285 HA SER 39 HA SER 39 -6.942 3.786 -2.222
286 HB2 SER 39 2HB SER 39 -8.039 6.026 -2.373
287 HB3 SER 39 3HB SER 39 -6.594 5.876 -3.384
288 HG SER 39 HG SER 39 -8.342 6.892 -4.430
289 HA PRO 40 HA PRO 40 -8.414 5.101 -0.398
290 HB2 PRO 40 2HB PRO 40 -9.784 3.228 1.513
291 HB3 PRO 40 3HB PRO 40 -9.697 5.009 1.552
292 HG2 PRO 40 2HG PRO 40 -11.969 3.777 0.763
293 HG3 PRO 40 3HG PRO 40 -11.351 5.187 -0.178
294 HD2 PRO 40 2HD PRO 40 -10.923 2.237 -0.742
295 HD3 PRO 40 3HD PRO 40 -11.557 3.497 -1.842
296 H ILE 41 H ILE 41 -6.520 4.811 0.817
297 HA ILE 41 HA ILE 41 -5.715 2.067 1.545
298 HB ILE 41 HB ILE 41 -4.859 3.032 -0.852
299 HG12 ILE 41 2HG1 ILE 41 -3.173 1.302 0.974
300 HG13 ILE 41 3HG1 ILE 41 -4.627 0.744 0.132
301 HG21 ILE 41 1HG2 ILE 41 -3.558 4.900 0.239
302 HG22 ILE 41 2HG2 ILE 41 -2.523 3.672 1.001
303 HG23 ILE 41 3HG2 ILE 41 -2.585 3.810 -0.754
304 HD11 ILE 41 1HD1 ILE 41 -2.012 1.581 -1.109
305 HD12 ILE 41 2HD1 ILE 41 -2.851 0.022 -1.193
306 HD13 ILE 41 3HD1 ILE 41 -3.519 1.423 -2.047
307 H SER 42 H SER 42 -4.103 1.874 3.108
308 HA SER 42 HA SER 42 -3.923 4.218 4.928
309 HB2 SER 42 2HB SER 42 -4.793 2.133 5.742
310 HB3 SER 42 3HB SER 42 -3.287 1.287 5.358
311 HG SER 42 HG SER 42 -3.569 1.959 7.540
312 H GLU 43 H GLU 43 -2.070 5.224 5.365
313 HA GLU 43 HA GLU 43 0.370 4.631 3.911
314 HB2 GLU 43 2HB GLU 43 1.332 6.470 5.084
315 HB3 GLU 43 3HB GLU 43 -0.307 6.870 4.609
316 HG2 GLU 43 2HG GLU 43 -0.505 7.660 6.636
317 HG3 GLU 43 3HG GLU 43 -0.853 6.005 7.110
318 H ASN 44 H ASN 44 -0.971 3.214 6.682
319 HA ASN 44 HA ASN 44 1.500 1.642 7.059
320 HB2 ASN 44 2HB ASN 44 0.867 1.414 9.495
321 HB3 ASN 44 3HB ASN 44 1.344 3.024 8.971
322 HD21 ASN 44 1HD2 ASN 44 -0.004 4.688 9.037
323 HD22 ASN 44 2HD2 ASN 44 -1.460 4.555 10.013
324 H GLY 45 H GLY 45 -0.503 1.162 5.128
325 HA2 GLY 45 2HA GLY 45 -1.178 -1.644 5.888
326 HA3 GLY 45 3HA GLY 45 -1.589 -0.847 4.382
327 H TRP 46 H TRP 46 -0.546 -2.850 3.502
328 HA TRP 46 HA TRP 46 2.028 -2.124 2.389
329 HB2 TRP 46 2HB TRP 46 2.888 -3.251 4.420
330 HB3 TRP 46 3HB TRP 46 1.792 -4.582 4.155
331 HD1 TRP 46 HD1 TRP 46 4.997 -3.088 2.642
332 HE1 TRP 46 HE1 TRP 46 6.268 -4.962 1.359
333 HE3 TRP 46 HE3 TRP 46 1.477 -6.764 2.843
334 HZ2 TRP 46 HZ2 TRP 46 5.867 -7.718 0.709
335 HZ3 TRP 46 HZ3 TRP 46 1.906 -8.993 1.827
336 HH2 TRP 46 HH2 TRP 46 4.096 -9.469 0.767
337 H CYS 47 H CYS 47 2.442 -3.304 0.385
338 HA CYS 47 HA CYS 47 0.523 -5.479 -0.301
339 HB2 CYS 47 2HB CYS 47 0.031 -4.498 -2.393
340 HB3 CYS 47 3HB CYS 47 0.102 -3.097 -1.322
341 H ARG 48 H ARG 48 1.044 -6.653 -2.229
342 HA ARG 48 HA ARG 48 3.756 -7.802 -2.101
343 HB2 ARG 48 2HB ARG 48 1.145 -8.558 -3.479
344 HB3 ARG 48 3HB ARG 48 2.617 -9.481 -3.733
345 HG2 ARG 48 2HG ARG 48 1.614 -8.979 -0.952
346 HG3 ARG 48 3HG ARG 48 0.810 -10.184 -1.938
347 HD2 ARG 48 2HD ARG 48 3.828 -10.273 -1.642
348 HD3 ARG 48 3HD ARG 48 2.761 -10.907 -0.380
349 HE ARG 48 HE ARG 48 1.854 -11.953 -2.867
350 HH11 ARG 48 1HH1 ARG 48 4.716 -12.526 -0.828
351 HH12 ARG 48 2HH1 ARG 48 4.756 -14.191 -1.414
352 HH21 ARG 48 1HH2 ARG 48 2.042 -13.967 -3.405
353 HH22 ARG 48 2HH2 ARG 48 3.354 -14.971 -2.742
354 H LEU 49 H LEU 49 2.474 -5.256 -3.842
355 HA LEU 49 HA LEU 49 3.965 -5.979 -6.329
356 HB2 LEU 49 2HB LEU 49 1.435 -5.855 -6.318
357 HB3 LEU 49 3HB LEU 49 1.597 -4.117 -6.097
358 HG LEU 49 HG LEU 49 2.796 -3.989 -8.293
359 HD11 LEU 49 1HD1 LEU 49 2.221 -6.986 -8.409
360 HD12 LEU 49 2HD1 LEU 49 2.689 -5.994 -9.806
361 HD13 LEU 49 3HD1 LEU 49 3.818 -6.197 -8.476
362 HD21 LEU 49 1HD2 LEU 49 0.162 -5.518 -8.467
363 HD22 LEU 49 2HD2 LEU 49 0.306 -3.774 -8.169
364 HD23 LEU 49 3HD2 LEU 49 0.858 -4.458 -9.707
365 H TYR 50 H TYR 50 3.566 -3.392 -3.939
366 HA TYR 50 HA TYR 50 5.032 -1.855 -3.254
367 HB2 TYR 50 2HB TYR 50 6.314 -4.259 -3.675
368 HB3 TYR 50 3HB TYR 50 7.360 -3.178 -4.556
369 HD1 TYR 50 HD1 TYR 50 5.465 -3.098 -1.279
370 HD2 TYR 50 HD2 TYR 50 9.274 -2.676 -3.277
371 HE1 TYR 50 HE1 TYR 50 6.572 -2.601 0.897
372 HE2 TYR 50 HE2 TYR 50 10.375 -2.237 -1.087
373 HH TYR 50 HH TYR 50 10.083 -2.101 1.223
374 H ALA 51 H ALA 51 7.370 -0.657 -4.049
375 HA ALA 51 HA ALA 51 6.463 1.268 -5.965
376 HB1 ALA 51 1HB ALA 51 7.969 1.899 -4.184
377 HB2 ALA 51 2HB ALA 51 9.226 0.792 -4.783
378 HB3 ALA 51 3HB ALA 51 8.750 2.212 -5.738
379 H GLY 52 H GLY 52 6.365 1.152 -8.083
380 HA2 GLY 52 2HA GLY 52 8.195 -0.524 -9.615
381 HA3 GLY 52 3HA GLY 52 6.732 0.242 -10.202
382 H LYS 53 H LYS 53 7.309 2.822 -9.169
383 HA LYS 53 HA LYS 53 7.730 4.741 -10.422
384 HB2 LYS 53 2HB LYS 53 10.217 4.015 -8.887
385 HB3 LYS 53 3HB LYS 53 10.014 5.578 -9.679
386 HG2 LYS 53 2HG LYS 53 8.152 4.490 -7.537
387 HG3 LYS 53 3HG LYS 53 9.444 5.668 -7.279
388 HD2 LYS 53 2HD LYS 53 8.198 7.061 -9.135
389 HD3 LYS 53 3HD LYS 53 6.827 6.018 -8.770
390 HE2 LYS 53 2HE LYS 53 8.267 7.921 -6.872
391 HE3 LYS 53 3HE LYS 53 6.664 8.122 -7.580
392 HZ1 LYS 53 1HZ LYS 53 6.117 5.962 -6.335
393 HZ2 LYS 53 2HZ LYS 53 7.481 6.196 -5.486
394 HZ3 LYS 53 3HZ LYS 53 6.319 7.320 -5.395
395 H ALA 54 H ALA 54 7.472 3.521 -12.421
396 HA ALA 54 HA ALA 54 9.873 3.691 -14.214
397 HB1 ALA 54 1HB ALA 54 8.960 1.762 -15.403
398 HB2 ALA 54 2HB ALA 54 9.179 1.371 -13.690
399 HB3 ALA 54 3HB ALA 54 7.555 1.719 -14.317
Start of MODEL 19
1 H1 VAL 1 1H VAL 1 -7.303 7.790 -18.620
2 H2 VAL 1 2H VAL 1 -7.965 6.432 -17.963
3 H3 VAL 1 3H VAL 1 -7.113 6.325 -19.363
4 HA VAL 1 HA VAL 1 -5.100 7.014 -18.263
5 HB VAL 1 HB VAL 1 -5.979 8.347 -16.511
6 HG11 VAL 1 1HG1 VAL 1 -7.236 5.877 -15.246
7 HG12 VAL 1 2HG1 VAL 1 -7.114 7.483 -14.511
8 HG13 VAL 1 3HG1 VAL 1 -8.094 7.264 -15.952
9 HG21 VAL 1 1HG2 VAL 1 -3.799 7.206 -16.071
10 HG22 VAL 1 2HG2 VAL 1 -4.691 7.617 -14.604
11 HG23 VAL 1 3HG2 VAL 1 -4.670 5.944 -15.170
12 H THR 2 H THR 2 -3.728 5.315 -18.285
13 HA THR 2 HA THR 2 -4.820 2.600 -17.857
14 HB THR 2 HB THR 2 -1.926 3.281 -18.407
15 HG1 THR 2 HG1 THR 2 -4.088 2.989 -20.218
16 HG21 THR 2 1HG2 THR 2 -1.972 1.056 -19.498
17 HG22 THR 2 2HG2 THR 2 -2.411 0.933 -17.791
18 HG23 THR 2 3HG2 THR 2 -3.675 0.858 -19.029
19 H LYS 3 H LYS 3 -5.446 2.991 -15.681
20 HA LYS 3 HA LYS 3 -3.564 3.721 -13.605
21 HB2 LYS 3 2HB LYS 3 -6.167 4.103 -13.872
22 HB3 LYS 3 3HB LYS 3 -6.309 2.515 -13.119
23 HG2 LYS 3 2HG LYS 3 -5.102 3.339 -11.131
24 HG3 LYS 3 3HG LYS 3 -4.763 4.878 -11.959
25 HD2 LYS 3 2HD LYS 3 -7.252 5.278 -12.084
26 HD3 LYS 3 3HD LYS 3 -7.479 3.835 -11.067
27 HE2 LYS 3 2HE LYS 3 -6.034 4.893 -9.314
28 HE3 LYS 3 3HE LYS 3 -5.839 6.312 -10.350
29 HZ1 LYS 3 1HZ LYS 3 -8.286 6.596 -10.245
30 HZ2 LYS 3 2HZ LYS 3 -8.378 5.348 -9.168
31 HZ3 LYS 3 3HZ LYS 3 -7.569 6.747 -8.784
32 H LYS 4 H LYS 4 -3.137 2.407 -11.649
33 HA LYS 4 HA LYS 4 -2.195 -0.256 -12.449
34 HB2 LYS 4 2HB LYS 4 -1.885 1.339 -9.874
35 HB3 LYS 4 3HB LYS 4 -1.169 -0.242 -10.149
36 HG2 LYS 4 2HG LYS 4 -0.568 1.304 -12.469
37 HG3 LYS 4 3HG LYS 4 -0.284 2.363 -11.078
38 HD2 LYS 4 2HD LYS 4 1.657 1.110 -12.078
39 HD3 LYS 4 3HD LYS 4 1.496 1.107 -10.330
40 HE2 LYS 4 2HE LYS 4 1.073 -1.108 -10.175
41 HE3 LYS 4 3HE LYS 4 0.237 -1.192 -11.721
42 HZ1 LYS 4 1HZ LYS 4 2.326 -1.029 -12.862
43 HZ2 LYS 4 2HZ LYS 4 3.192 -0.940 -11.462
44 HZ3 LYS 4 3HZ LYS 4 2.397 -2.308 -11.832
45 H ALA 5 H ALA 5 -2.206 -1.930 -10.678
46 HA ALA 5 HA ALA 5 -4.605 -3.326 -10.777
47 HB1 ALA 5 1HB ALA 5 -2.389 -4.311 -10.304
48 HB2 ALA 5 2HB ALA 5 -2.341 -3.469 -8.736
49 HB3 ALA 5 3HB ALA 5 -3.518 -4.752 -9.020
50 H SER 6 H SER 6 -6.146 -4.028 -9.153
51 HA SER 6 HA SER 6 -7.080 -1.972 -7.343
52 HB2 SER 6 2HB SER 6 -8.746 -3.478 -6.651
53 HB3 SER 6 3HB SER 6 -8.533 -3.758 -8.379
54 HG SER 6 HG SER 6 -8.309 -5.762 -7.748
55 H HIS 7 H HIS 7 -7.168 -2.178 -5.028
56 HA HIS 7 HA HIS 7 -4.712 -2.591 -3.704
57 HB2 HIS 7 2HB HIS 7 -7.011 -3.036 -1.966
58 HB3 HIS 7 3HB HIS 7 -5.826 -1.746 -1.934
59 HD2 HIS 7 HD2 HIS 7 -6.498 0.236 -4.112
60 HE1 HIS 7 HE1 HIS 7 -10.673 -0.350 -3.501
61 HE2 HIS 7 HE2 HIS 7 -8.923 1.185 -4.498
62 H LYS 8 H LYS 8 -7.192 -4.792 -4.386
63 HA LYS 8 HA LYS 8 -6.368 -7.022 -2.670
64 HB2 LYS 8 2HB LYS 8 -8.743 -6.462 -3.157
65 HB3 LYS 8 3HB LYS 8 -8.466 -6.856 -4.857
66 HG2 LYS 8 2HG LYS 8 -9.427 -8.743 -3.942
67 HG3 LYS 8 3HG LYS 8 -7.749 -9.199 -4.089
68 HD2 LYS 8 2HD LYS 8 -7.405 -8.650 -1.644
69 HD3 LYS 8 3HD LYS 8 -9.134 -8.279 -1.525
70 HE2 LYS 8 2HE LYS 8 -9.540 -10.657 -2.425
71 HE3 LYS 8 3HE LYS 8 -7.807 -10.942 -2.206
72 HZ1 LYS 8 1HZ LYS 8 -9.781 -10.266 -0.115
73 HZ2 LYS 8 2HZ LYS 8 -8.992 -11.703 -0.303
74 HZ3 LYS 8 3HZ LYS 8 -8.166 -10.351 0.188
75 H ASP 9 H ASP 9 -6.545 -6.564 -6.204
76 HA ASP 9 HA ASP 9 -5.098 -8.907 -6.953
77 HB2 ASP 9 2HB ASP 9 -6.423 -7.076 -8.354
78 HB3 ASP 9 3HB ASP 9 -4.871 -6.316 -8.467
79 H ALA 10 H ALA 10 -3.954 -5.686 -6.048
80 HA ALA 10 HA ALA 10 -1.125 -6.221 -6.205
81 HB1 ALA 10 1HB ALA 10 -2.703 -4.206 -4.547
82 HB2 ALA 10 2HB ALA 10 -0.965 -4.148 -4.860
83 HB3 ALA 10 3HB ALA 10 -2.113 -3.950 -6.201
84 H GLY 11 H GLY 11 -3.424 -7.557 -4.064
85 HA2 GLY 11 2HA GLY 11 -3.186 -8.958 -2.284
86 HA3 GLY 11 3HA GLY 11 -1.445 -8.961 -2.566
87 H TYR 12 H TYR 12 -3.469 -6.092 -1.690
88 HA TYR 12 HA TYR 12 -1.722 -5.382 0.434
89 HB2 TYR 12 2HB TYR 12 -2.948 -3.547 0.804
90 HB3 TYR 12 3HB TYR 12 -3.176 -3.823 -0.900
91 HD1 TYR 12 HD1 TYR 12 -5.484 -6.044 -0.445
92 HD2 TYR 12 HD2 TYR 12 -4.748 -2.062 1.035
93 HE1 TYR 12 HE1 TYR 12 -7.925 -5.697 -0.162
94 HE2 TYR 12 HE2 TYR 12 -7.182 -1.720 1.319
95 HH TYR 12 HH TYR 12 -9.574 -4.202 0.316
96 H GLN 13 H GLN 13 -2.073 -5.120 2.641
97 HA GLN 13 HA GLN 13 -4.201 -6.755 3.914
98 HB2 GLN 13 2HB GLN 13 -2.454 -7.239 5.771
99 HB3 GLN 13 3HB GLN 13 -2.469 -8.230 4.329
100 HG2 GLN 13 2HG GLN 13 -0.526 -7.079 3.403
101 HG3 GLN 13 3HG GLN 13 -0.545 -5.916 4.736
102 HE21 GLN 13 1HE2 GLN 13 1.263 -6.214 5.777
103 HE22 GLN 13 2HE2 GLN 13 1.662 -7.732 6.534
104 H GLU 14 H GLU 14 -4.636 -6.043 6.165
105 HA GLU 14 HA GLU 14 -4.748 -3.143 6.246
106 HB2 GLU 14 2HB GLU 14 -6.163 -3.399 8.133
107 HB3 GLU 14 3HB GLU 14 -6.576 -4.591 6.895
108 HG2 GLU 14 2HG GLU 14 -5.561 -6.388 8.153
109 HG3 GLU 14 3HG GLU 14 -4.852 -5.254 9.306
110 H SER 15 H SER 15 -2.185 -4.911 6.930
111 HA SER 15 HA SER 15 -1.080 -3.008 8.926
112 HB2 SER 15 2HB SER 15 0.031 -5.120 10.005
113 HB3 SER 15 3HB SER 15 -1.617 -4.679 10.410
114 HG SER 15 HG SER 15 -0.641 -6.936 9.273
115 HA PRO 16 HA PRO 16 2.825 -3.397 6.756
116 HB2 PRO 16 2HB PRO 16 4.296 -3.564 9.320
117 HB3 PRO 16 3HB PRO 16 4.418 -2.337 8.048
118 HG2 PRO 16 2HG PRO 16 3.202 -1.863 10.484
119 HG3 PRO 16 3HG PRO 16 2.707 -1.061 8.967
120 HD2 PRO 16 2HD PRO 16 1.372 -3.368 10.383
121 HD3 PRO 16 3HD PRO 16 0.670 -1.997 9.487
122 H ASN 17 H ASN 17 4.323 -4.959 6.137
123 HA ASN 17 HA ASN 17 4.238 -7.681 7.374
124 HB2 ASN 17 2HB ASN 17 3.675 -7.732 5.064
125 HB3 ASN 17 3HB ASN 17 5.002 -6.702 4.623
126 HD21 ASN 17 1HD2 ASN 17 5.336 -8.655 3.077
127 HD22 ASN 17 2HD2 ASN 17 6.287 -9.994 3.720
128 H GLY 18 H GLY 18 5.616 -7.453 9.119
129 HA2 GLY 18 2HA GLY 18 7.543 -7.087 10.331
130 HA3 GLY 18 3HA GLY 18 8.457 -7.374 8.848
131 H ALA 19 H ALA 19 9.615 -5.673 8.163
132 HA ALA 19 HA ALA 19 9.169 -2.959 9.206
133 HB1 ALA 19 1HB ALA 19 11.226 -4.014 7.229
134 HB2 ALA 19 2HB ALA 19 11.246 -2.439 8.041
135 HB3 ALA 19 3HB ALA 19 11.439 -3.921 8.996
136 H LYS 20 H LYS 20 8.068 -4.671 6.269
137 HA LYS 20 HA LYS 20 8.065 -2.272 4.616
138 HB2 LYS 20 2HB LYS 20 6.851 -5.035 4.273
139 HB3 LYS 20 3HB LYS 20 6.956 -3.799 3.019
140 HG2 LYS 20 2HG LYS 20 9.183 -4.090 2.643
141 HG3 LYS 20 3HG LYS 20 9.561 -4.566 4.304
142 HD2 LYS 20 2HD LYS 20 8.753 -6.769 4.013
143 HD3 LYS 20 3HD LYS 20 7.892 -6.340 2.545
144 HE2 LYS 20 2HE LYS 20 10.094 -5.918 1.400
145 HE3 LYS 20 3HE LYS 20 10.936 -6.335 2.895
146 HZ1 LYS 20 1HZ LYS 20 10.007 -8.572 2.714
147 HZ2 LYS 20 2HZ LYS 20 9.239 -8.190 1.295
148 HZ3 LYS 20 3HZ LYS 20 10.871 -8.208 1.376
149 H ARG 21 H ARG 21 6.556 -0.766 4.645
150 HA ARG 21 HA ARG 21 3.704 -1.450 5.136
151 HB2 ARG 21 2HB ARG 21 3.417 -0.212 6.903
152 HB3 ARG 21 3HB ARG 21 5.144 -0.176 7.101
153 HG2 ARG 21 2HG ARG 21 5.192 2.059 5.944
154 HG3 ARG 21 3HG ARG 21 3.434 1.999 5.806
155 HD2 ARG 21 2HD ARG 21 3.459 1.621 8.381
156 HD3 ARG 21 3HD ARG 21 5.129 2.180 8.297
157 HE ARG 21 HE ARG 21 2.816 3.783 7.214
158 HH11 ARG 21 1HH1 ARG 21 5.770 3.826 9.191
159 HH12 ARG 21 2HH1 ARG 21 5.310 5.386 9.862
160 HH21 ARG 21 1HH2 ARG 21 2.499 5.905 8.121
161 HH22 ARG 21 2HH2 ARG 21 3.726 6.445 9.235
162 H CYS 22 H CYS 22 2.253 0.415 4.238
163 HA CYS 22 HA CYS 22 3.218 1.598 1.796
164 HB2 CYS 22 2HB CYS 22 0.865 2.346 3.568
165 HB3 CYS 22 3HB CYS 22 1.163 2.912 1.915
166 H GLY 23 H GLY 23 2.089 4.170 3.724
167 HA2 GLY 23 2HA GLY 23 3.009 6.002 4.727
168 HA3 GLY 23 3HA GLY 23 4.286 4.923 5.261
169 H THR 24 H THR 24 6.212 4.715 3.829
170 HA THR 24 HA THR 24 6.524 6.874 1.758
171 HB THR 24 HB THR 24 8.935 6.361 1.795
172 HG1 THR 24 HG1 THR 24 9.693 5.219 3.647
173 HG21 THR 24 1HG2 THR 24 9.469 7.419 3.935
174 HG22 THR 24 2HG2 THR 24 8.081 8.214 3.173
175 HG23 THR 24 3HG2 THR 24 7.827 7.101 4.531
176 H CYS 25 H CYS 25 6.760 3.397 2.372
177 HA CYS 25 HA CYS 25 7.309 1.600 1.060
178 HB2 CYS 25 2HB CYS 25 4.945 1.952 0.616
179 HB3 CYS 25 3HB CYS 25 5.285 3.088 -0.664
180 H ARG 26 H ARG 26 7.338 1.428 -1.774
181 HA ARG 26 HA ARG 26 9.723 3.048 -2.603
182 HB2 ARG 26 2HB ARG 26 8.469 0.627 -3.938
183 HB3 ARG 26 3HB ARG 26 9.822 1.574 -4.559
184 HG2 ARG 26 2HG ARG 26 11.021 -0.085 -3.613
185 HG3 ARG 26 3HG ARG 26 10.926 0.965 -2.201
186 HD2 ARG 26 2HD ARG 26 9.104 -0.377 -1.275
187 HD3 ARG 26 3HD ARG 26 8.948 -1.301 -2.771
188 HE ARG 26 HE ARG 26 11.005 -1.601 -0.671
189 HH11 ARG 26 1HH1 ARG 26 10.027 -2.688 -3.878
190 HH12 ARG 26 2HH1 ARG 26 10.878 -4.209 -3.670
191 HH21 ARG 26 1HH2 ARG 26 12.228 -3.309 -0.618
192 HH22 ARG 26 2HH2 ARG 26 12.200 -4.515 -1.904
193 H GLN 27 H GLN 27 6.372 3.258 -2.623
194 HA GLN 27 HA GLN 27 6.684 5.566 -4.442
195 HB2 GLN 27 2HB GLN 27 4.361 3.655 -4.798
196 HB3 GLN 27 3HB GLN 27 4.526 5.225 -5.559
197 HG2 GLN 27 2HG GLN 27 6.364 2.859 -6.076
198 HG3 GLN 27 3HG GLN 27 4.979 3.300 -7.053
199 HE21 GLN 27 1HE2 GLN 27 6.907 3.188 -8.688
200 HE22 GLN 27 2HE2 GLN 27 7.716 4.735 -8.947
201 H PHE 28 H PHE 28 3.787 4.152 -2.954
202 HA PHE 28 HA PHE 28 2.075 4.944 -1.840
203 HB2 PHE 28 2HB PHE 28 3.709 4.804 0.014
204 HB3 PHE 28 3HB PHE 28 4.057 6.519 -0.182
205 HD1 PHE 28 HD1 PHE 28 1.029 4.262 0.134
206 HD2 PHE 28 HD2 PHE 28 2.876 7.989 1.254
207 HE1 PHE 28 HE1 PHE 28 -0.901 4.793 1.566
208 HE2 PHE 28 HE2 PHE 28 0.923 8.501 2.714
209 HZ PHE 28 HZ PHE 28 -0.998 6.940 2.810
210 H ARG 29 H ARG 29 0.650 6.819 -1.144
211 HA ARG 29 HA ARG 29 1.311 9.445 -2.267
212 HB2 ARG 29 2HB ARG 29 0.338 8.300 -4.190
213 HB3 ARG 29 3HB ARG 29 -1.092 7.881 -3.267
214 HG2 ARG 29 2HG ARG 29 -1.551 9.745 -4.739
215 HG3 ARG 29 3HG ARG 29 -1.685 10.285 -3.063
216 HD2 ARG 29 2HD ARG 29 0.593 11.248 -3.190
217 HD3 ARG 29 3HD ARG 29 0.736 10.663 -4.855
218 HE ARG 29 HE ARG 29 -1.335 12.164 -5.303
219 HH11 ARG 29 1HH1 ARG 29 1.161 13.261 -3.030
220 HH12 ARG 29 2HH1 ARG 29 0.469 14.863 -3.025
221 HH21 ARG 29 1HH2 ARG 29 -2.113 14.117 -5.125
222 HH22 ARG 29 2HH2 ARG 29 -1.465 15.290 -3.982
223 HA PRO 30 HA PRO 30 -0.914 9.831 1.678
224 HB2 PRO 30 2HB PRO 30 0.331 12.539 1.758
225 HB3 PRO 30 3HB PRO 30 0.342 11.259 2.999
226 HG2 PRO 30 2HG PRO 30 2.527 11.879 1.469
227 HG3 PRO 30 3HG PRO 30 2.200 10.208 2.002
228 HD2 PRO 30 2HD PRO 30 1.630 11.496 -0.669
229 HD3 PRO 30 3HD PRO 30 2.277 9.862 -0.320
230 HA PRO 31 HA PRO 31 -2.073 11.009 3.323
231 HB2 PRO 31 2HB PRO 31 -4.641 11.173 4.181
232 HB3 PRO 31 3HB PRO 31 -3.579 12.602 4.008
233 HG2 PRO 31 2HG PRO 31 -5.648 11.579 2.033
234 HG3 PRO 31 3HG PRO 31 -5.441 13.248 2.662
235 HD2 PRO 31 2HD PRO 31 -4.375 12.498 0.281
236 HD3 PRO 31 3HD PRO 31 -3.501 13.599 1.373
237 H SER 32 H SER 32 -4.382 9.706 0.903
238 HA SER 32 HA SER 32 -4.494 7.116 2.387
239 HB2 SER 32 2HB SER 32 -6.904 7.161 2.362
240 HB3 SER 32 3HB SER 32 -6.313 8.639 3.135
241 HG SER 32 HG SER 32 -7.210 8.335 0.457
242 H SER 33 H SER 33 -3.153 7.729 -0.176
243 HA SER 33 HA SER 33 -4.615 5.834 -1.963
244 HB2 SER 33 2HB SER 33 -3.288 8.443 -2.795
245 HB3 SER 33 3HB SER 33 -4.005 7.243 -3.886
246 HG SER 33 HG SER 33 -5.205 8.944 -2.008
247 H CYS 34 H CYS 34 -3.073 5.219 -3.861
248 HA CYS 34 HA CYS 34 -0.223 5.219 -3.019
249 HB2 CYS 34 2HB CYS 34 -1.262 2.978 -2.584
250 HB3 CYS 34 3HB CYS 34 -1.593 2.845 -4.317
251 H ILE 35 H ILE 35 1.028 4.419 -5.000
252 HA ILE 35 HA ILE 35 0.116 5.670 -7.550
253 HB ILE 35 HB ILE 35 2.598 6.313 -6.015
254 HG12 ILE 35 2HG1 ILE 35 0.978 7.892 -8.062
255 HG13 ILE 35 3HG1 ILE 35 0.585 7.818 -6.353
256 HG21 ILE 35 1HG2 ILE 35 2.642 6.320 -9.066
257 HG22 ILE 35 2HG2 ILE 35 3.897 6.961 -7.989
258 HG23 ILE 35 3HG2 ILE 35 3.600 5.236 -8.031
259 HD11 ILE 35 1HD1 ILE 35 1.778 9.864 -6.769
260 HD12 ILE 35 2HD1 ILE 35 2.828 8.803 -5.809
261 HD13 ILE 35 3HD1 ILE 35 3.111 9.017 -7.554
262 H THR 36 H THR 36 1.712 2.997 -5.887
263 HA THR 36 HA THR 36 2.162 1.631 -8.452
264 HB THR 36 HB THR 36 2.293 -0.166 -6.190
265 HG1 THR 36 HG1 THR 36 3.170 1.046 -4.824
266 HG21 THR 36 1HG2 THR 36 4.463 -0.631 -7.108
267 HG22 THR 36 2HG2 THR 36 3.351 -0.399 -8.464
268 HG23 THR 36 3HG2 THR 36 4.465 0.905 -8.023
269 H VAL 37 H VAL 37 -0.432 2.145 -6.331
270 HA VAL 37 HA VAL 37 -2.036 -0.149 -7.359
271 HB VAL 37 HB VAL 37 -1.761 0.653 -4.423
272 HG11 VAL 37 1HG1 VAL 37 -3.216 -1.678 -5.725
273 HG12 VAL 37 2HG1 VAL 37 -2.893 -1.501 -3.982
274 HG13 VAL 37 3HG1 VAL 37 -3.935 -0.340 -4.782
275 HG21 VAL 37 1HG2 VAL 37 0.309 -0.443 -5.026
276 HG22 VAL 37 2HG2 VAL 37 -0.656 -1.573 -4.114
277 HG23 VAL 37 3HG2 VAL 37 -0.565 -1.736 -5.883
278 H GLU 38 H GLU 38 -4.355 0.170 -7.080
279 HA GLU 38 HA GLU 38 -5.511 2.749 -7.384
280 HB2 GLU 38 2HB GLU 38 -6.510 0.017 -6.523
281 HB3 GLU 38 3HB GLU 38 -7.568 1.411 -6.338
282 HG2 GLU 38 2HG GLU 38 -7.159 1.997 -8.711
283 HG3 GLU 38 3HG GLU 38 -6.370 0.431 -8.933
284 H SER 39 H SER 39 -7.152 3.702 -5.942
285 HA SER 39 HA SER 39 -6.502 3.679 -3.035
286 HB2 SER 39 2HB SER 39 -7.426 6.019 -3.036
287 HB3 SER 39 3HB SER 39 -5.943 5.830 -3.973
288 HG SER 39 HG SER 39 -7.805 7.039 -4.871
289 HA PRO 40 HA PRO 40 -7.888 5.063 -1.320
290 HB2 PRO 40 2HB PRO 40 -9.383 4.503 0.827
291 HB3 PRO 40 3HB PRO 40 -9.972 5.581 -0.474
292 HG2 PRO 40 2HG PRO 40 -10.557 2.622 -0.109
293 HG3 PRO 40 3HG PRO 40 -11.730 3.948 -0.385
294 HD2 PRO 40 2HD PRO 40 -10.773 2.389 -2.428
295 HD3 PRO 40 3HD PRO 40 -11.147 4.120 -2.658
296 H ILE 41 H ILE 41 -6.578 4.609 0.424
297 HA ILE 41 HA ILE 41 -5.743 1.792 0.915
298 HB ILE 41 HB ILE 41 -4.385 4.046 -0.490
299 HG12 ILE 41 2HG1 ILE 41 -5.073 2.099 -1.760
300 HG13 ILE 41 3HG1 ILE 41 -3.355 2.356 -1.842
301 HG21 ILE 41 1HG2 ILE 41 -2.121 3.411 -0.065
302 HG22 ILE 41 2HG2 ILE 41 -2.911 3.975 1.410
303 HG23 ILE 41 3HG2 ILE 41 -2.620 2.238 1.149
304 HD11 ILE 41 1HD1 ILE 41 -3.891 -0.017 -1.706
305 HD12 ILE 41 2HD1 ILE 41 -2.979 0.471 -0.274
306 HD13 ILE 41 3HD1 ILE 41 -4.738 0.212 -0.169
307 H SER 42 H SER 42 -4.257 1.546 2.698
308 HA SER 42 HA SER 42 -4.583 3.477 4.963
309 HB2 SER 42 2HB SER 42 -5.226 1.286 5.600
310 HB3 SER 42 3HB SER 42 -3.861 0.536 4.777
311 HG SER 42 HG SER 42 -3.755 0.792 7.134
312 H GLU 43 H GLU 43 -2.695 4.490 5.836
313 HA GLU 43 HA GLU 43 -0.332 4.353 4.144
314 HB2 GLU 43 2HB GLU 43 0.593 6.059 5.401
315 HB3 GLU 43 3HB GLU 43 -1.048 6.513 5.004
316 HG2 GLU 43 2HG GLU 43 -1.789 6.258 7.230
317 HG3 GLU 43 3HG GLU 43 -0.338 5.346 7.686
318 H ASN 44 H ASN 44 -1.315 2.276 6.508
319 HA ASN 44 HA ASN 44 1.529 1.401 6.842
320 HB2 ASN 44 2HB ASN 44 0.992 0.425 8.988
321 HB3 ASN 44 3HB ASN 44 0.556 2.127 8.973
322 HD21 ASN 44 1HD2 ASN 44 -1.185 2.518 10.065
323 HD22 ASN 44 2HD2 ASN 44 -2.622 1.542 9.966
324 H GLY 45 H GLY 45 -1.483 0.540 5.465
325 HA2 GLY 45 2HA GLY 45 -1.252 -2.303 5.659
326 HA3 GLY 45 3HA GLY 45 -2.410 -1.396 4.709
327 H TRP 46 H TRP 46 0.963 -2.437 4.765
328 HA TRP 46 HA TRP 46 1.913 -2.186 2.220
329 HB2 TRP 46 2HB TRP 46 3.103 -3.198 4.172
330 HB3 TRP 46 3HB TRP 46 2.077 -4.591 4.048
331 HD1 TRP 46 HD1 TRP 46 4.735 -2.827 1.832
332 HE1 TRP 46 HE1 TRP 46 5.930 -4.612 0.430
333 HE3 TRP 46 HE3 TRP 46 1.969 -6.909 3.157
334 HZ2 TRP 46 HZ2 TRP 46 5.851 -7.474 0.103
335 HZ3 TRP 46 HZ3 TRP 46 2.517 -9.158 2.251
336 HH2 TRP 46 HH2 TRP 46 4.455 -9.443 0.728
337 H CYS 47 H CYS 47 1.996 -3.297 0.269
338 HA CYS 47 HA CYS 47 0.174 -5.611 -0.134
339 HB2 CYS 47 2HB CYS 47 -0.572 -4.688 -2.198
340 HB3 CYS 47 3HB CYS 47 -0.523 -3.276 -1.125
341 H ARG 48 H ARG 48 0.648 -7.000 -1.853
342 HA ARG 48 HA ARG 48 3.460 -7.778 -1.981
343 HB2 ARG 48 2HB ARG 48 0.849 -8.897 -3.081
344 HB3 ARG 48 3HB ARG 48 2.379 -9.655 -3.489
345 HG2 ARG 48 2HG ARG 48 1.648 -9.228 -0.616
346 HG3 ARG 48 3HG ARG 48 0.867 -10.510 -1.526
347 HD2 ARG 48 2HD ARG 48 2.993 -11.526 -2.109
348 HD3 ARG 48 3HD ARG 48 3.883 -10.261 -1.244
349 HE ARG 48 HE ARG 48 2.113 -11.293 0.646
350 HH11 ARG 48 1HH1 ARG 48 4.666 -12.839 -1.242
351 HH12 ARG 48 2HH1 ARG 48 4.831 -14.109 -0.044
352 HH21 ARG 48 1HH2 ARG 48 2.472 -12.782 2.076
353 HH22 ARG 48 2HH2 ARG 48 3.739 -13.974 1.875
354 H LEU 49 H LEU 49 2.045 -5.347 -3.573
355 HA LEU 49 HA LEU 49 3.382 -5.892 -6.186
356 HB2 LEU 49 2HB LEU 49 0.913 -5.275 -5.892
357 HB3 LEU 49 3HB LEU 49 1.448 -3.637 -5.551
358 HG LEU 49 HG LEU 49 2.226 -5.146 -8.083
359 HD11 LEU 49 1HD1 LEU 49 -0.209 -3.376 -7.672
360 HD12 LEU 49 2HD1 LEU 49 0.331 -4.061 -9.220
361 HD13 LEU 49 3HD1 LEU 49 -0.227 -5.139 -7.946
362 HD21 LEU 49 1HD2 LEU 49 3.488 -3.071 -7.857
363 HD22 LEU 49 2HD2 LEU 49 2.240 -2.795 -9.050
364 HD23 LEU 49 3HD2 LEU 49 2.014 -2.187 -7.397
365 H TYR 50 H TYR 50 3.494 -3.822 -3.356
366 HA TYR 50 HA TYR 50 4.700 -1.636 -3.586
367 HB2 TYR 50 2HB TYR 50 5.836 -1.889 -1.628
368 HB3 TYR 50 3HB TYR 50 4.573 -3.081 -1.527
369 HD1 TYR 50 HD1 TYR 50 5.547 -5.536 -2.649
370 HD2 TYR 50 HD2 TYR 50 7.735 -2.506 -0.512
371 HE1 TYR 50 HE1 TYR 50 7.373 -7.183 -2.163
372 HE2 TYR 50 HE2 TYR 50 9.512 -4.159 0.019
373 HH TYR 50 HH TYR 50 9.601 -7.421 -1.404
374 H ALA 51 H ALA 51 5.919 -0.651 -5.003
375 HA ALA 51 HA ALA 51 6.899 -1.856 -7.123
376 HB1 ALA 51 1HB ALA 51 7.988 0.789 -6.081
377 HB2 ALA 51 2HB ALA 51 8.043 0.224 -7.752
378 HB3 ALA 51 3HB ALA 51 6.485 0.557 -6.979
379 H GLY 52 H GLY 52 8.531 -3.170 -7.766
380 HA2 GLY 52 2HA GLY 52 10.923 -3.571 -6.252
381 HA3 GLY 52 3HA GLY 52 10.649 -4.178 -7.855
382 H LYS 53 H LYS 53 12.366 -2.042 -6.060
383 HA LYS 53 HA LYS 53 13.167 -0.242 -8.256
384 HB2 LYS 53 2HB LYS 53 12.797 0.089 -5.309
385 HB3 LYS 53 3HB LYS 53 14.216 0.863 -5.989
386 HG2 LYS 53 2HG LYS 53 12.243 2.333 -5.865
387 HG3 LYS 53 3HG LYS 53 12.970 2.202 -7.473
388 HD2 LYS 53 2HD LYS 53 11.135 0.823 -8.272
389 HD3 LYS 53 3HD LYS 53 10.491 0.664 -6.637
390 HE2 LYS 53 2HE LYS 53 9.153 2.266 -7.879
391 HE3 LYS 53 3HE LYS 53 10.004 3.092 -6.568
392 HZ1 LYS 53 1HZ LYS 53 10.092 4.312 -8.680
393 HZ2 LYS 53 2HZ LYS 53 11.592 3.919 -8.166
394 HZ3 LYS 53 3HZ LYS 53 10.860 3.070 -9.410
395 H ALA 54 H ALA 54 15.129 0.093 -8.678
396 HA ALA 54 HA ALA 54 17.242 -0.497 -9.412
397 HB1 ALA 54 1HB ALA 54 17.652 -1.067 -6.463
398 HB2 ALA 54 2HB ALA 54 18.935 -0.758 -7.650
399 HB3 ALA 54 3HB ALA 54 17.781 0.513 -7.248
Start of MODEL 20
1 H1 VAL 1 1H VAL 1 -0.756 7.047 -21.815
2 H2 VAL 1 2H VAL 1 -2.401 6.889 -21.674
3 H3 VAL 1 3H VAL 1 -1.502 5.656 -22.268
4 HA VAL 1 HA VAL 1 -0.434 5.258 -20.219
5 HB VAL 1 HB VAL 1 -1.218 6.426 -18.169
6 HG11 VAL 1 1HG1 VAL 1 0.170 8.254 -20.163
7 HG12 VAL 1 2HG1 VAL 1 0.269 8.302 -18.395
8 HG13 VAL 1 3HG1 VAL 1 0.949 6.924 -19.274
9 HG21 VAL 1 1HG2 VAL 1 -2.233 8.623 -18.305
10 HG22 VAL 1 2HG2 VAL 1 -2.322 8.550 -20.071
11 HG23 VAL 1 3HG2 VAL 1 -3.312 7.458 -19.074
12 H THR 2 H THR 2 -1.296 3.904 -18.587
13 HA THR 2 HA THR 2 -4.220 3.255 -18.770
14 HB THR 2 HB THR 2 -1.929 1.254 -18.807
15 HG1 THR 2 HG1 THR 2 -2.182 1.174 -20.853
16 HG21 THR 2 1HG2 THR 2 -3.727 -0.397 -19.338
17 HG22 THR 2 2HG2 THR 2 -3.887 0.261 -17.708
18 HG23 THR 2 3HG2 THR 2 -4.946 0.854 -19.012
19 H LYS 3 H LYS 3 -5.141 2.402 -16.825
20 HA LYS 3 HA LYS 3 -3.863 3.460 -14.449
21 HB2 LYS 3 2HB LYS 3 -6.315 3.609 -15.062
22 HB3 LYS 3 3HB LYS 3 -6.462 1.911 -14.587
23 HG2 LYS 3 2HG LYS 3 -5.784 2.472 -12.285
24 HG3 LYS 3 3HG LYS 3 -5.472 4.150 -12.771
25 HD2 LYS 3 2HD LYS 3 -7.889 4.381 -13.399
26 HD3 LYS 3 3HD LYS 3 -8.173 2.736 -12.794
27 HE2 LYS 3 2HE LYS 3 -7.370 3.445 -10.545
28 HE3 LYS 3 3HE LYS 3 -7.084 5.081 -11.164
29 HZ1 LYS 3 1HZ LYS 3 -9.253 4.919 -10.037
30 HZ2 LYS 3 2HZ LYS 3 -9.462 5.241 -11.634
31 HZ3 LYS 3 3HZ LYS 3 -9.728 3.730 -11.051
32 H LYS 4 H LYS 4 -3.210 2.424 -12.576
33 HA LYS 4 HA LYS 4 -1.918 -0.058 -12.765
34 HB2 LYS 4 2HB LYS 4 -2.676 1.834 -10.523
35 HB3 LYS 4 3HB LYS 4 -1.924 0.305 -10.097
36 HG2 LYS 4 2HG LYS 4 -0.761 2.195 -12.123
37 HG3 LYS 4 3HG LYS 4 -0.349 2.208 -10.416
38 HD2 LYS 4 2HD LYS 4 0.383 -0.292 -10.841
39 HD3 LYS 4 3HD LYS 4 0.190 0.100 -12.557
40 HE2 LYS 4 2HE LYS 4 1.679 2.019 -12.312
41 HE3 LYS 4 3HE LYS 4 1.950 1.619 -10.625
42 HZ1 LYS 4 1HZ LYS 4 2.512 -0.315 -12.816
43 HZ2 LYS 4 2HZ LYS 4 3.660 0.723 -12.294
44 HZ3 LYS 4 3HZ LYS 4 3.028 -0.425 -11.288
45 H ALA 5 H ALA 5 -2.003 -1.564 -11.013
46 HA ALA 5 HA ALA 5 -4.281 -3.367 -11.172
47 HB1 ALA 5 1HB ALA 5 -1.943 -3.295 -9.218
48 HB2 ALA 5 2HB ALA 5 -3.008 -4.682 -9.516
49 HB3 ALA 5 3HB ALA 5 -1.918 -4.117 -10.800
50 H SER 6 H SER 6 -5.725 -4.026 -9.439
51 HA SER 6 HA SER 6 -6.478 -1.835 -7.659
52 HB2 SER 6 2HB SER 6 -8.210 -3.310 -6.796
53 HB3 SER 6 3HB SER 6 -8.264 -3.164 -8.555
54 HG SER 6 HG SER 6 -7.346 -5.154 -8.771
55 H HIS 7 H HIS 7 -6.335 -1.775 -5.460
56 HA HIS 7 HA HIS 7 -4.175 -2.721 -3.941
57 HB2 HIS 7 2HB HIS 7 -5.875 -2.252 -2.028
58 HB3 HIS 7 3HB HIS 7 -5.453 -0.940 -3.120
59 HD2 HIS 7 HD2 HIS 7 -7.342 0.152 -4.636
60 HE1 HIS 7 HE1 HIS 7 -10.584 -2.387 -3.575
61 HE2 HIS 7 HE2 HIS 7 -9.918 -0.288 -4.821
62 H LYS 8 H LYS 8 -7.296 -4.222 -4.441
63 HA LYS 8 HA LYS 8 -7.060 -6.629 -2.936
64 HB2 LYS 8 2HB LYS 8 -9.152 -5.799 -3.802
65 HB3 LYS 8 3HB LYS 8 -8.595 -5.986 -5.462
66 HG2 LYS 8 2HG LYS 8 -10.102 -7.732 -4.816
67 HG3 LYS 8 3HG LYS 8 -8.551 -8.424 -5.239
68 HD2 LYS 8 2HD LYS 8 -8.032 -8.914 -2.943
69 HD3 LYS 8 3HD LYS 8 -9.343 -7.881 -2.348
70 HE2 LYS 8 2HE LYS 8 -11.031 -9.404 -3.283
71 HE3 LYS 8 3HE LYS 8 -9.776 -10.382 -4.046
72 HZ1 LYS 8 1HZ LYS 8 -10.178 -10.096 -1.112
73 HZ2 LYS 8 2HZ LYS 8 -10.473 -11.435 -2.007
74 HZ3 LYS 8 3HZ LYS 8 -8.946 -10.926 -1.804
75 H ASP 9 H ASP 9 -6.478 -6.283 -6.457
76 HA ASP 9 HA ASP 9 -5.413 -8.909 -6.746
77 HB2 ASP 9 2HB ASP 9 -6.145 -7.051 -8.565
78 HB3 ASP 9 3HB ASP 9 -4.436 -6.733 -8.569
79 H ALA 10 H ALA 10 -3.814 -5.895 -5.991
80 HA ALA 10 HA ALA 10 -1.105 -6.930 -5.891
81 HB1 ALA 10 1HB ALA 10 -2.393 -4.437 -4.730
82 HB2 ALA 10 2HB ALA 10 -0.647 -4.728 -4.878
83 HB3 ALA 10 3HB ALA 10 -1.649 -4.589 -6.341
84 H GLY 11 H GLY 11 -3.666 -7.645 -3.811
85 HA2 GLY 11 2HA GLY 11 -3.686 -8.853 -1.893
86 HA3 GLY 11 3HA GLY 11 -1.939 -9.068 -2.041
87 H TYR 12 H TYR 12 -3.648 -5.950 -1.588
88 HA TYR 12 HA TYR 12 -2.029 -5.150 0.576
89 HB2 TYR 12 2HB TYR 12 -3.195 -3.216 0.633
90 HB3 TYR 12 3HB TYR 12 -3.487 -3.721 -1.012
91 HD1 TYR 12 HD1 TYR 12 -5.780 -5.598 -0.813
92 HD2 TYR 12 HD2 TYR 12 -4.996 -1.969 1.377
93 HE1 TYR 12 HE1 TYR 12 -8.197 -5.366 -0.333
94 HE2 TYR 12 HE2 TYR 12 -7.423 -1.728 1.846
95 HH TYR 12 HH TYR 12 -9.495 -2.702 1.688
96 H GLN 13 H GLN 13 -2.407 -4.757 2.758
97 HA GLN 13 HA GLN 13 -4.581 -6.281 4.104
98 HB2 GLN 13 2HB GLN 13 -2.805 -6.920 5.865
99 HB3 GLN 13 3HB GLN 13 -2.911 -7.827 4.376
100 HG2 GLN 13 2HG GLN 13 -0.953 -6.712 3.449
101 HG3 GLN 13 3HG GLN 13 -0.824 -5.679 4.884
102 HE21 GLN 13 1HE2 GLN 13 1.155 -6.244 5.514
103 HE22 GLN 13 2HE2 GLN 13 1.481 -7.877 6.081
104 H GLU 14 H GLU 14 -4.730 -5.805 6.461
105 HA GLU 14 HA GLU 14 -5.148 -2.984 6.773
106 HB2 GLU 14 2HB GLU 14 -5.961 -3.594 9.011
107 HB3 GLU 14 3HB GLU 14 -6.542 -4.774 7.830
108 HG2 GLU 14 2HG GLU 14 -4.823 -6.391 8.538
109 HG3 GLU 14 3HG GLU 14 -4.091 -5.194 9.593
110 H SER 15 H SER 15 -2.245 -4.651 7.098
111 HA SER 15 HA SER 15 -1.084 -2.632 8.945
112 HB2 SER 15 2HB SER 15 0.001 -4.672 10.150
113 HB3 SER 15 3HB SER 15 -1.667 -4.265 10.490
114 HG SER 15 HG SER 15 -1.942 -6.321 9.992
115 HA PRO 16 HA PRO 16 2.791 -3.042 6.766
116 HB2 PRO 16 2HB PRO 16 4.137 -3.385 9.408
117 HB3 PRO 16 3HB PRO 16 4.483 -2.204 8.136
118 HG2 PRO 16 2HG PRO 16 3.195 -1.482 10.432
119 HG3 PRO 16 3HG PRO 16 2.711 -0.787 8.855
120 HD2 PRO 16 2HD PRO 16 1.366 -3.030 10.386
121 HD3 PRO 16 3HD PRO 16 0.668 -1.655 9.495
122 H ASN 17 H ASN 17 4.504 -4.548 6.304
123 HA ASN 17 HA ASN 17 4.190 -7.318 7.399
124 HB2 ASN 17 2HB ASN 17 3.542 -7.222 5.071
125 HB3 ASN 17 3HB ASN 17 4.982 -6.345 4.637
126 HD21 ASN 17 1HD2 ASN 17 4.968 -8.297 3.076
127 HD22 ASN 17 2HD2 ASN 17 5.813 -9.724 3.649
128 H GLY 18 H GLY 18 5.637 -7.136 9.098
129 HA2 GLY 18 2HA GLY 18 7.626 -6.957 10.233
130 HA3 GLY 18 3HA GLY 18 8.400 -7.462 8.728
131 H ALA 19 H ALA 19 9.838 -6.086 7.979
132 HA ALA 19 HA ALA 19 10.201 -3.406 8.918
133 HB1 ALA 19 1HB ALA 19 11.430 -4.931 6.578
134 HB2 ALA 19 2HB ALA 19 12.071 -3.439 7.289
135 HB3 ALA 19 3HB ALA 19 12.015 -4.921 8.258
136 H LYS 20 H LYS 20 8.159 -4.519 6.236
137 HA LYS 20 HA LYS 20 8.380 -1.850 4.913
138 HB2 LYS 20 2HB LYS 20 7.263 -4.481 3.882
139 HB3 LYS 20 3HB LYS 20 7.330 -2.967 2.988
140 HG2 LYS 20 2HG LYS 20 9.364 -3.445 2.269
141 HG3 LYS 20 3HG LYS 20 10.000 -3.384 3.909
142 HD2 LYS 20 2HD LYS 20 9.365 -5.784 4.199
143 HD3 LYS 20 3HD LYS 20 8.828 -5.843 2.521
144 HE2 LYS 20 2HE LYS 20 11.660 -5.287 3.519
145 HE3 LYS 20 3HE LYS 20 11.084 -6.800 2.821
146 HZ1 LYS 20 1HZ LYS 20 12.235 -5.530 1.132
147 HZ2 LYS 20 2HZ LYS 20 10.657 -5.565 0.733
148 HZ3 LYS 20 3HZ LYS 20 11.329 -4.209 1.376
149 H ARG 21 H ARG 21 6.756 -0.496 4.691
150 HA ARG 21 HA ARG 21 3.945 -1.324 5.009
151 HB2 ARG 21 2HB ARG 21 3.396 -0.051 6.763
152 HB3 ARG 21 3HB ARG 21 5.081 -0.219 7.220
153 HG2 ARG 21 2HG ARG 21 5.559 2.005 6.185
154 HG3 ARG 21 3HG ARG 21 3.854 2.122 5.728
155 HD2 ARG 21 2HD ARG 21 3.373 1.767 8.270
156 HD3 ARG 21 3HD ARG 21 5.047 2.240 8.495
157 HE ARG 21 HE ARG 21 2.784 3.888 7.559
158 HH11 ARG 21 1HH1 ARG 21 6.294 3.775 7.704
159 HH12 ARG 21 2HH1 ARG 21 6.426 5.495 7.372
160 HH21 ARG 21 1HH2 ARG 21 3.106 6.161 7.545
161 HH22 ARG 21 2HH2 ARG 21 4.729 6.743 7.279
162 H CYS 22 H CYS 22 2.448 0.281 3.923
163 HA CYS 22 HA CYS 22 3.153 1.168 1.452
164 HB2 CYS 22 2HB CYS 22 1.171 2.348 3.452
165 HB3 CYS 22 3HB CYS 22 1.240 2.820 1.755
166 H GLY 23 H GLY 23 3.118 3.461 4.238
167 HA2 GLY 23 2HA GLY 23 4.255 5.661 2.981
168 HA3 GLY 23 3HA GLY 23 4.345 5.331 4.704
169 H THR 24 H THR 24 6.047 2.793 3.457
170 HA THR 24 HA THR 24 8.515 4.250 2.774
171 HB THR 24 HB THR 24 8.548 3.849 5.219
172 HG1 THR 24 HG1 THR 24 10.585 3.708 5.111
173 HG21 THR 24 1HG2 THR 24 9.049 0.959 4.427
174 HG22 THR 24 2HG2 THR 24 9.118 1.657 6.057
175 HG23 THR 24 3HG2 THR 24 7.567 1.563 5.199
176 H CYS 25 H CYS 25 6.416 2.269 1.464
177 HA CYS 25 HA CYS 25 7.960 -0.069 0.794
178 HB2 CYS 25 2HB CYS 25 6.118 -0.738 -0.374
179 HB3 CYS 25 3HB CYS 25 5.372 0.366 0.739
180 H ARG 26 H ARG 26 6.892 2.409 -1.350
181 HA ARG 26 HA ARG 26 9.377 3.670 -1.949
182 HB2 ARG 26 2HB ARG 26 9.858 1.776 -3.411
183 HB3 ARG 26 3HB ARG 26 8.240 1.830 -4.105
184 HG2 ARG 26 2HG ARG 26 9.888 2.687 -5.671
185 HG3 ARG 26 3HG ARG 26 8.744 3.941 -5.227
186 HD2 ARG 26 2HD ARG 26 10.481 4.839 -3.600
187 HD3 ARG 26 3HD ARG 26 11.610 3.630 -4.243
188 HE ARG 26 HE ARG 26 10.339 5.352 -6.254
189 HH11 ARG 26 1HH1 ARG 26 13.031 5.370 -4.032
190 HH12 ARG 26 2HH1 ARG 26 14.078 6.217 -5.158
191 HH21 ARG 26 1HH2 ARG 26 11.616 6.625 -7.528
192 HH22 ARG 26 2HH2 ARG 26 13.051 7.338 -6.834
193 H GLN 27 H GLN 27 5.966 3.057 -2.759
194 HA GLN 27 HA GLN 27 5.695 5.883 -3.678
195 HB2 GLN 27 2HB GLN 27 3.812 3.552 -4.059
196 HB3 GLN 27 3HB GLN 27 3.534 5.198 -4.613
197 HG2 GLN 27 2HG GLN 27 5.823 3.414 -5.574
198 HG3 GLN 27 3HG GLN 27 4.276 3.592 -6.373
199 HE21 GLN 27 1HE2 GLN 27 5.197 4.343 -8.344
200 HE22 GLN 27 2HE2 GLN 27 5.990 5.909 -8.435
201 H PHE 28 H PHE 28 2.954 4.155 -2.309
202 HA PHE 28 HA PHE 28 1.255 5.058 -1.208
203 HB2 PHE 28 2HB PHE 28 2.492 4.556 0.761
204 HB3 PHE 28 3HB PHE 28 3.374 6.076 0.694
205 HD1 PHE 28 HD1 PHE 28 -0.210 4.857 0.730
206 HD2 PHE 28 HD2 PHE 28 2.644 7.773 2.141
207 HE1 PHE 28 HE1 PHE 28 -2.003 6.008 2.006
208 HE2 PHE 28 HE2 PHE 28 0.858 8.860 3.478
209 HZ PHE 28 HZ PHE 28 -1.474 8.009 3.371
210 H ARG 29 H ARG 29 -0.063 6.929 -0.800
211 HA ARG 29 HA ARG 29 0.945 9.512 -1.815
212 HB2 ARG 29 2HB ARG 29 0.277 8.282 -3.802
213 HB3 ARG 29 3HB ARG 29 -1.282 7.899 -3.113
214 HG2 ARG 29 2HG ARG 29 -1.497 9.677 -4.754
215 HG3 ARG 29 3HG ARG 29 -1.888 10.283 -3.136
216 HD2 ARG 29 2HD ARG 29 0.433 11.170 -2.948
217 HD3 ARG 29 3HD ARG 29 0.772 10.618 -4.594
218 HE ARG 29 HE ARG 29 -1.445 12.222 -4.925
219 HH11 ARG 29 1HH1 ARG 29 1.624 12.846 -3.223
220 HH12 ARG 29 2HH1 ARG 29 1.468 14.567 -3.546
221 HH21 ARG 29 1HH2 ARG 29 -1.324 14.422 -5.436
222 HH22 ARG 29 2HH2 ARG 29 -0.076 15.396 -4.667
223 HA PRO 30 HA PRO 30 -1.683 10.239 1.803
224 HB2 PRO 30 2HB PRO 30 -0.654 13.040 1.379
225 HB3 PRO 30 3HB PRO 30 -0.795 12.111 2.902
226 HG2 PRO 30 2HG PRO 30 1.606 12.409 1.670
227 HG3 PRO 30 3HG PRO 30 1.147 10.831 2.383
228 HD2 PRO 30 2HD PRO 30 1.009 11.711 -0.507
229 HD3 PRO 30 3HD PRO 30 1.594 10.161 0.179
230 HA PRO 31 HA PRO 31 -3.182 11.308 3.162
231 HB2 PRO 31 2HB PRO 31 -5.826 11.269 3.780
232 HB3 PRO 31 3HB PRO 31 -4.910 12.789 3.553
233 HG2 PRO 31 2HG PRO 31 -6.648 11.356 1.513
234 HG3 PRO 31 3HG PRO 31 -6.696 13.085 1.990
235 HD2 PRO 31 2HD PRO 31 -5.309 12.254 -0.201
236 HD3 PRO 31 3HD PRO 31 -4.689 13.558 0.845
237 H SER 32 H SER 32 -5.122 9.602 0.660
238 HA SER 32 HA SER 32 -4.714 7.022 2.060
239 HB2 SER 32 2HB SER 32 -7.150 6.536 2.025
240 HB3 SER 32 3HB SER 32 -6.705 7.858 3.103
241 HG SER 32 HG SER 32 -7.736 8.195 0.454
242 H SER 33 H SER 33 -3.560 7.812 -0.390
243 HA SER 33 HA SER 33 -4.839 5.882 -2.291
244 HB2 SER 33 2HB SER 33 -3.413 8.490 -2.901
245 HB3 SER 33 3HB SER 33 -3.832 7.278 -4.119
246 HG SER 33 HG SER 33 -5.425 8.852 -4.054
247 H CYS 34 H CYS 34 -3.191 5.147 -3.954
248 HA CYS 34 HA CYS 34 -0.379 5.181 -3.003
249 HB2 CYS 34 2HB CYS 34 -1.365 2.940 -2.521
250 HB3 CYS 34 3HB CYS 34 -1.754 2.765 -4.236
251 H ILE 35 H ILE 35 0.971 4.389 -4.934
252 HA ILE 35 HA ILE 35 0.036 5.559 -7.519
253 HB ILE 35 HB ILE 35 2.928 5.807 -6.728
254 HG12 ILE 35 2HG1 ILE 35 0.779 7.888 -6.183
255 HG13 ILE 35 3HG1 ILE 35 1.750 7.024 -4.980
256 HG21 ILE 35 1HG2 ILE 35 1.219 7.356 -8.716
257 HG22 ILE 35 2HG2 ILE 35 2.973 7.528 -8.479
258 HG23 ILE 35 3HG2 ILE 35 2.337 6.044 -9.134
259 HD11 ILE 35 1HD1 ILE 35 3.806 8.100 -5.867
260 HD12 ILE 35 2HD1 ILE 35 2.775 9.122 -6.905
261 HD13 ILE 35 3HD1 ILE 35 2.631 9.213 -5.147
262 H THR 36 H THR 36 1.487 2.879 -5.807
263 HA THR 36 HA THR 36 2.153 1.494 -8.343
264 HB THR 36 HB THR 36 1.965 -0.121 -5.883
265 HG1 THR 36 HG1 THR 36 3.214 0.946 -4.728
266 HG21 THR 36 1HG2 THR 36 4.221 0.281 -7.884
267 HG22 THR 36 2HG2 THR 36 4.039 -1.050 -6.721
268 HG23 THR 36 3HG2 THR 36 2.902 -0.891 -8.073
269 H VAL 37 H VAL 37 -0.425 1.682 -5.912
270 HA VAL 37 HA VAL 37 -2.106 -0.114 -7.616
271 HB VAL 37 HB VAL 37 -3.147 -1.058 -5.671
272 HG11 VAL 37 1HG1 VAL 37 -0.115 -1.269 -5.477
273 HG12 VAL 37 2HG1 VAL 37 -1.273 -2.359 -4.738
274 HG13 VAL 37 3HG1 VAL 37 -1.203 -2.231 -6.512
275 HG21 VAL 37 1HG2 VAL 37 -2.925 0.789 -4.042
276 HG22 VAL 37 2HG2 VAL 37 -2.333 -0.743 -3.399
277 HG23 VAL 37 3HG2 VAL 37 -1.169 0.465 -3.940
278 H GLU 38 H GLU 38 -4.432 0.127 -7.300
279 HA GLU 38 HA GLU 38 -5.396 2.817 -7.369
280 HB2 GLU 38 2HB GLU 38 -6.778 0.149 -6.912
281 HB3 GLU 38 3HB GLU 38 -7.646 1.680 -6.953
282 HG2 GLU 38 2HG GLU 38 -6.724 2.192 -9.137
283 HG3 GLU 38 3HG GLU 38 -5.887 0.646 -9.213
284 H SER 39 H SER 39 -6.696 3.968 -6.041
285 HA SER 39 HA SER 39 -6.432 3.834 -3.123
286 HB2 SER 39 2HB SER 39 -8.096 5.759 -3.277
287 HB3 SER 39 3HB SER 39 -6.563 6.012 -4.117
288 HG SER 39 HG SER 39 -7.518 5.694 -6.051
289 HA PRO 40 HA PRO 40 -7.889 4.694 -1.404
290 HB2 PRO 40 2HB PRO 40 -9.303 4.039 0.773
291 HB3 PRO 40 3HB PRO 40 -10.039 4.956 -0.576
292 HG2 PRO 40 2HG PRO 40 -10.211 1.976 -0.028
293 HG3 PRO 40 3HG PRO 40 -11.539 3.103 -0.424
294 HD2 PRO 40 2HD PRO 40 -10.288 1.525 -2.315
295 HD3 PRO 40 3HD PRO 40 -10.999 3.119 -2.692
296 H ILE 41 H ILE 41 -6.470 4.450 0.279
297 HA ILE 41 HA ILE 41 -5.404 1.775 1.009
298 HB ILE 41 HB ILE 41 -4.210 3.930 -0.712
299 HG12 ILE 41 2HG1 ILE 41 -5.049 1.924 -1.785
300 HG13 ILE 41 3HG1 ILE 41 -3.329 2.090 -2.012
301 HG21 ILE 41 1HG2 ILE 41 -2.352 2.210 0.941
302 HG22 ILE 41 2HG2 ILE 41 -1.910 3.250 -0.403
303 HG23 ILE 41 3HG2 ILE 41 -2.569 3.965 1.059
304 HD11 ILE 41 1HD1 ILE 41 -2.954 0.352 -0.219
305 HD12 ILE 41 2HD1 ILE 41 -4.718 0.123 -0.142
306 HD13 ILE 41 3HD1 ILE 41 -3.837 -0.232 -1.627
307 H SER 42 H SER 42 -3.857 1.842 2.735
308 HA SER 42 HA SER 42 -4.217 4.101 4.678
309 HB2 SER 42 2HB SER 42 -5.032 2.065 5.626
310 HB3 SER 42 3HB SER 42 -3.662 1.138 5.002
311 HG SER 42 HG SER 42 -3.476 1.534 7.194
312 H GLU 43 H GLU 43 -2.327 5.112 5.482
313 HA GLU 43 HA GLU 43 0.131 4.827 4.094
314 HB2 GLU 43 2HB GLU 43 1.121 6.191 5.761
315 HB3 GLU 43 3HB GLU 43 -0.482 6.825 5.412
316 HG2 GLU 43 2HG GLU 43 -1.407 6.068 7.439
317 HG3 GLU 43 3HG GLU 43 -0.045 5.011 7.777
318 H ASN 44 H ASN 44 -1.116 2.663 6.530
319 HA ASN 44 HA ASN 44 1.534 1.528 7.144
320 HB2 ASN 44 2HB ASN 44 -1.258 1.637 8.344
321 HB3 ASN 44 3HB ASN 44 -0.214 0.333 8.754
322 HD21 ASN 44 1HD2 ASN 44 -0.586 1.086 10.879
323 HD22 ASN 44 2HD2 ASN 44 0.618 2.181 11.498
324 H GLY 45 H GLY 45 -1.371 0.818 5.280
325 HA2 GLY 45 2HA GLY 45 -1.340 -2.022 5.791
326 HA3 GLY 45 3HA GLY 45 -2.467 -1.134 4.792
327 H TRP 46 H TRP 46 0.891 -2.217 4.808
328 HA TRP 46 HA TRP 46 1.828 -2.100 2.308
329 HB2 TRP 46 2HB TRP 46 2.950 -3.114 4.284
330 HB3 TRP 46 3HB TRP 46 1.911 -4.507 4.150
331 HD1 TRP 46 HD1 TRP 46 4.803 -2.827 2.240
332 HE1 TRP 46 HE1 TRP 46 5.992 -4.603 0.810
333 HE3 TRP 46 HE3 TRP 46 1.613 -6.752 2.948
334 HZ2 TRP 46 HZ2 TRP 46 5.814 -7.464 0.385
335 HZ3 TRP 46 HZ3 TRP 46 2.106 -8.973 1.958
336 HH2 TRP 46 HH2 TRP 46 4.192 -9.326 0.654
337 H CYS 47 H CYS 47 1.738 -2.994 0.317
338 HA CYS 47 HA CYS 47 0.066 -5.412 -0.180
339 HB2 CYS 47 2HB CYS 47 -0.691 -4.527 -2.217
340 HB3 CYS 47 3HB CYS 47 -0.650 -3.054 -1.223
341 H ARG 48 H ARG 48 0.798 -6.522 -2.224
342 HA ARG 48 HA ARG 48 3.640 -7.206 -1.860
343 HB2 ARG 48 2HB ARG 48 1.575 -8.465 -3.712
344 HB3 ARG 48 3HB ARG 48 3.127 -9.152 -3.199
345 HG2 ARG 48 2HG ARG 48 2.289 -9.064 -0.820
346 HG3 ARG 48 3HG ARG 48 0.686 -8.642 -1.436
347 HD2 ARG 48 2HD ARG 48 2.259 -11.165 -2.079
348 HD3 ARG 48 3HD ARG 48 0.920 -10.989 -0.931
349 HE ARG 48 HE ARG 48 0.393 -10.250 -3.767
350 HH11 ARG 48 1HH1 ARG 48 -0.232 -12.595 -1.206
351 HH12 ARG 48 2HH1 ARG 48 -1.451 -13.399 -2.173
352 HH21 ARG 48 1HH2 ARG 48 -1.104 -11.204 -4.827
353 HH22 ARG 48 2HH2 ARG 48 -2.128 -12.435 -4.094
354 H LEU 49 H LEU 49 1.945 -5.135 -4.028
355 HA LEU 49 HA LEU 49 3.532 -5.827 -6.380
356 HB2 LEU 49 2HB LEU 49 1.147 -5.137 -6.443
357 HB3 LEU 49 3HB LEU 49 1.610 -3.524 -5.894
358 HG LEU 49 HG LEU 49 2.925 -3.210 -7.998
359 HD11 LEU 49 1HD1 LEU 49 1.743 -5.901 -8.789
360 HD12 LEU 49 2HD1 LEU 49 2.596 -4.789 -9.878
361 HD13 LEU 49 3HD1 LEU 49 3.472 -5.555 -8.555
362 HD21 LEU 49 1HD2 LEU 49 0.581 -2.507 -7.876
363 HD22 LEU 49 2HD2 LEU 49 0.998 -3.041 -9.506
364 HD23 LEU 49 3HD2 LEU 49 0.060 -4.114 -8.436
365 H TYR 50 H TYR 50 3.905 -3.642 -3.762
366 HA TYR 50 HA TYR 50 5.022 -1.420 -4.528
367 HB2 TYR 50 2HB TYR 50 6.098 -1.209 -2.505
368 HB3 TYR 50 3HB TYR 50 4.719 -2.248 -2.183
369 HD1 TYR 50 HD1 TYR 50 5.231 -4.854 -2.155
370 HD2 TYR 50 HD2 TYR 50 8.258 -1.810 -1.807
371 HE1 TYR 50 HE1 TYR 50 6.835 -6.547 -1.291
372 HE2 TYR 50 HE2 TYR 50 9.829 -3.490 -0.860
373 HH TYR 50 HH TYR 50 8.963 -6.950 -0.580
374 H ALA 51 H ALA 51 6.714 -0.463 -5.341
375 HA ALA 51 HA ALA 51 8.654 -2.001 -6.808
376 HB1 ALA 51 1HB ALA 51 9.303 0.213 -7.709
377 HB2 ALA 51 2HB ALA 51 7.550 -0.034 -7.759
378 HB3 ALA 51 3HB ALA 51 8.263 1.003 -6.505
379 H GLY 52 H GLY 52 11.000 -1.313 -6.885
380 HA2 GLY 52 2HA GLY 52 12.237 -1.855 -4.391
381 HA3 GLY 52 3HA GLY 52 13.054 -1.416 -5.885
382 H LYS 53 H LYS 53 13.611 -0.626 -3.095
383 HA LYS 53 HA LYS 53 13.260 2.228 -2.913
384 HB2 LYS 53 2HB LYS 53 13.812 0.089 -1.148
385 HB3 LYS 53 3HB LYS 53 15.358 0.921 -1.281
386 HG2 LYS 53 2HG LYS 53 14.171 1.844 0.570
387 HG3 LYS 53 3HG LYS 53 14.163 3.058 -0.718
388 HD2 LYS 53 2HD LYS 53 11.824 2.097 -1.339
389 HD3 LYS 53 3HD LYS 53 11.879 1.245 0.198
390 HE2 LYS 53 2HE LYS 53 12.286 4.258 -0.050
391 HE3 LYS 53 3HE LYS 53 10.675 3.546 0.076
392 HZ1 LYS 53 1HZ LYS 53 12.749 3.044 2.130
393 HZ2 LYS 53 2HZ LYS 53 11.757 4.323 2.187
394 HZ3 LYS 53 3HZ LYS 53 11.109 2.819 2.239
395 H ALA 54 H ALA 54 14.359 3.599 -3.794
396 HA ALA 54 HA ALA 54 17.122 3.258 -4.877
397 HB1 ALA 54 1HB ALA 54 14.719 4.103 -6.559
398 HB2 ALA 54 2HB ALA 54 16.410 4.048 -7.097
399 HB3 ALA 54 3HB ALA 54 15.575 2.551 -6.659
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